A0A077ZBW1_TRITR Loading...

Glutamate receptor 1

AlphaFold DB , UniProt , Accession A0A077ZBW1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 759 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
1M76.2Confident90.3Very high83 Ų8329 Ų2941%0.40913%0.129SC..  0142.80178.2-178.565.700109.5L3 F36 N37 F308 F312M1-L3 HydrophobicContact CE-CD1 3.74Å; M1-L3 HydrophobicContact CE-CD2 3.59Å; M1-L3 HydrophobicContact CE-CG 3.65Å; M1-L3 HydrophobicContact CG-CD2 4.46Å; M1-L3 HydrophobicContact SD-CD2 4.15Å; M1-F36 HydrophobicContact CE-CB 4.2Å; M1-F36 CarbonylContact O-C 3.53Å; M1-F36 VanDerWaalsContact O-CA 3.27Å; M1-F36 WeakPolarHBondContact O-CA 3.42Å; M1-N37 PolarHBondContact O-N 3.29Å; M1-F308 HydrophobicContact CE-CB 4.09Å; M1-F308 HydrophobicContact CE-CD2 3.26Å; M1-F308 HydrophobicContact CE-CE2 3.93Å; M1-F308 HydrophobicContact CE-CG 3.96Å; M1-F308 HydrophobicContact SD-CB 3.51Å; M1-F308 VanDerWaalsContact SD-CB 3.51Å; M1-F308 HydrophobicContact SD-CD2 3.89Å; M1-F308 HydrophobicContact SD-CG 3.98Å; M1-F312 HydrophobicContact CE-CE2 4.5Å; M1-F312 HydrophobicContact CG-CD1 4.15Å; M1-F312 HydrophobicContact CG-CD2 4.11Å; M1-F312 HydrophobicContact CG-CE1 4.02Å; M1-F312 HydrophobicContact CG-CE2 4.01Å; M1-F312 HydrophobicContact CG-CG 4.19Å; M1-F312 HydrophobicContact CG-CZ 3.96Å; M1-F312 HydrophobicContact SD-CD2 3.48Å; M1-F312 WeakPolarHBondContact SD-CD2 3.24Å; M1-F312 HydrophobicContact SD-CE1 4.35Å; M1-F312 HydrophobicContact SD-CE2 3.26Å; M1-F312 WeakPolarHBondContact SD-CE2 3.15Å; M1-F312 HydrophobicContact SD-CG 4.15Å; M1-F312 HydrophobicContact SD-CZ 3.74Å
2K84.3Confident89.6Confident63 Ų6337.9 Ų37.927%0.27417%0.172SC..EExtended strand (participates in β ladder)trans-95.4124.8173-73175.5-179.1159.20109.8F4 N37 E39 F312 E315K2-F4 HydrophobicContact CB-CE2 4.32Å; K2-F4 HydrophobicContact CB-CZ 4.15Å; K2-N37 WeakPolarHBondContact CA-O 3.3Å; K2-E39 WeakPolarHBondContact CD-OE1 3.47Å; K2-E39 VanDerWaalsContact CE-OE1 3.3Å; K2-E39 WeakPolarHBondContact CE-OE1 3.42Å; K2-F312 WeakPolarHBondContact O-CE1 3.37Å; K2-E315 WeakPolarHBondContact CE-OE2 3.46Å; K2-E315 IonicContact NZ-OE1 3.53Å; K2-E315 IonicContact NZ-OE2 2.82Å; K2-E315 PolarHBondContact NZ-OE2 2.95Å
3L89.1Confident89.3Confident0 Ų035.8 Ų35.80%016%0.162CC..EExtended strand (participates in β ladder)trans-110.8143.1173-68.3179.5000109M1 F36 N37 L38 E39 F69 I297 F308 F312M1-L3 HydrophobicContact CE-CD1 3.74Å; M1-L3 HydrophobicContact CE-CD2 3.59Å; M1-L3 HydrophobicContact CE-CG 3.65Å; M1-L3 HydrophobicContact CG-CD2 4.46Å; M1-L3 HydrophobicContact SD-CD2 4.15Å; L3-F36 HydrophobicContact CB-CD2 4.38Å; L3-F36 HydrophobicContact CD1-CB 4.13Å; L3-F36 HydrophobicContact CD1-CD2 3.72Å; L3-F36 HydrophobicContact CD1-CE2 4.29Å; L3-F36 HydrophobicContact CD1-CG 3.94Å; L3-F36 HydrophobicContact CG-CB 4.39Å; L3-F36 HydrophobicContact CG-CD2 4.3Å; L3-N37 PolarHBondContact N-O 3.37Å; L3-L38 WeakPolarHBondContact O-CA 3.2Å; L3-E39 PolarHBondContact O-N 2.72Å; L3-F69 HydrophobicContact CD2-CD1 3.86Å; L3-F69 HydrophobicContact CD2-CD2 4.39Å; L3-F69 HydrophobicContact CD2-CE1 3.59Å; L3-F69 HydrophobicContact CD2-CE2 4.14Å; L3-F69 HydrophobicContact CD2-CG 4.3Å; L3-F69 HydrophobicContact CD2-CZ 3.76Å; L3-I297 HydrophobicContact CD1-CG1 4.46Å; L3-I297 HydrophobicContact CD1-CG2 3.49Å; L3-I297 VanDerWaalsContact CD1-CG2 3.49Å; L3-F308 HydrophobicContact CD1-CE2 4.39Å; L3-F312 HydrophobicContact CD2-CE2 4.25Å; L3-F312 HydrophobicContact CD2-CZ 3.65Å
4F91.8Very high89.1Confident17 Ų1745.3 Ų45.38%0.07520%0.203CC..EExtended strand (participates in β ladder)trans-114.3134-176.5-58.2-83.3000111K2 E39 R41 V68 F69K2-F4 HydrophobicContact CB-CE2 4.32Å; K2-F4 HydrophobicContact CB-CZ 4.15Å; F4-E39 CarbonylContact C-O 3.53Å; F4-E39 VanDerWaalsContact CA-O 3.23Å; F4-E39 WeakPolarHBondContact CA-O 3.32Å; F4-E39 HydrophobicContact CD1-CB 3.74Å; F4-E39 HydrophobicContact CE1-CB 3.88Å; F4-E39 HydrophobicContact CE1-CG 4.47Å; F4-E39 VanDerWaalsContact CE1-OE2 3.3Å; F4-E39 WeakPolarHBondContact CE1-OE2 2.8Å; F4-R41 HydrophobicContact CD1-CG 4.19Å; F4-V68 HydrophobicContact CB-CB 4.45Å; F4-V68 HydrophobicContact CB-CG1 4.06Å; F4-V68 CarbonylContact O-C 3.53Å; F4-V68 WeakPolarHBondContact O-CA 3.36Å; F4-F69 PolarHBondContact O-N 2.92Å
5S93.8Very high89.1Confident0 Ų045.1 Ų45.10%020%0.202CC..EExtended strand (participates in β ladder)trans-110.1145.6160.862.60000110E39 V40 R41S5-E39 PolarHBondContact N-O 3.3Å; S5-V40 WeakPolarHBondContact O-CA 3.38Å; S5-R41 PolarHBondContact O-N 3.07Å
6G96.2Very high89.4Confident0 Ų042.3 Ų42.30%019%0.189CC..EExtended strand (participates in β ladder)trans-106.4124.1179.100000111.1R41 A70 L71 I72G6-R41 CarbonylContact C-O 3.24Å; G6-R41 WeakPolarHBondContact CA-O 3.38Å; G6-A70 PolarHBondContact N-O 2.76Å; G6-L71 CarbonylContact O-C 3.54Å; G6-L71 WeakPolarHBondContact O-CA 3.49Å; G6-I72 PolarHBondContact O-N 3.1Å
7I96.8Very high89.6Confident0 Ų042.6 Ų42.60%020%0.196CC..EExtended strand (participates in β ladder)trans-107.4125.7174.3-56178.8000109.8Y9 V16 V20 V40 R41 T42 I43 I72 W97 L286 I290I7-Y9 HydrophobicContact CG2-CD1 4.36Å; I7-V16 HydrophobicContact CG2-CG1 3.91Å; I7-V20 HydrophobicContact CD1-CG2 3.81Å; I7-V40 HydrophobicContact CD1-CG1 3.3Å; I7-V40 HydrophobicContact CG1-CG1 3.61Å; I7-R41 PolarHBondContact N-O 2.98Å; I7-T42 HydrophobicContact CB-CG2 4.19Å; I7-T42 HydrophobicContact CD1-CG2 4.43Å; I7-T42 CarbonylContact O-C 3.55Å; I7-T42 WeakPolarHBondContact O-CA 3.44Å; I7-I43 PolarHBondContact O-N 2.86Å; I7-I72 CarbonylContact C-O 3.6Å; I7-I72 VanDerWaalsContact CA-O 3.24Å; I7-I72 WeakPolarHBondContact CA-O 3.09Å; I7-I72 HydrophobicContact CG1-CB 4.18Å; I7-I72 HydrophobicContact CG1-CD1 4.37Å; I7-W97 HydrophobicContact CG2-CH2 3.71Å; I7-W97 HydrophobicContact CG2-CZ3 4.05Å; I7-L286 HydrophobicContact CD1-CD1 4.15Å; I7-I290 HydrophobicContact CD1-CD1 3.85Å; I7-I290 HydrophobicContact CD1-CG1 4.35Å
8I95.4Very high89.7Confident1 Ų141.6 Ų41.61%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-107.7124.9169.9-50.6171.1000107.9I43 L45 L56 V59 A60 L63 I72 A73 W79 L83I8-I43 WeakPolarHBondContact CA-O 3.25Å; I8-L45 HydrophobicContact CG2-CD1 3.98Å; I8-L45 HydrophobicContact CG2-CG 4.32Å; I8-L56 HydrophobicContact CD1-CD1 4.38Å; I8-L56 HydrophobicContact CG2-CD1 3.78Å; I8-V59 HydrophobicContact CD1-CG1 4.09Å; I8-V59 HydrophobicContact CG1-CG1 4.06Å; I8-V59 HydrophobicContact CG2-CG1 4.08Å; I8-A60 HydrophobicContact CD1-CB 3.9Å; I8-L63 HydrophobicContact CD1-CD1 4.13Å; I8-L63 HydrophobicContact CG1-CD1 3.6Å; I8-I72 PolarHBondContact N-O 3.31Å; I8-A73 HydrophobicContact CB-CB 4.12Å; I8-A73 WeakPolarHBondContact O-CA 3.25Å; I8-A73 WeakPolarHBondContact O-CB 3.3Å; I8-W79 HydrophobicContact CG2-CH2 4.12Å; I8-W79 HydrophobicContact CG2-CZ3 3.86Å; I8-L83 HydrophobicContact CD1-CD2 4.22Å
9Y93.7Very high89.9Confident22 Ų2239.4 Ų39.49%0.08619%0.185CC..EExtended strand (participates in β ladder)trans-142.5158.4-176.170.4-75.7000112.2I7 Q13 V16 P17 I43 M44 L45I7-Y9 HydrophobicContact CG2-CD1 4.36Å; Y9-Q13 HydrophobicContact CD2-CB 4.25Å; Y9-V16 HydrophobicContact CD1-CB 4.31Å; Y9-V16 HydrophobicContact CD1-CG1 3.77Å; Y9-V16 HydrophobicContact CD2-CB 3.78Å; Y9-V16 HydrophobicContact CD2-CG1 4.17Å; Y9-V16 HydrophobicContact CD2-CG2 3.83Å; Y9-V16 HydrophobicContact CE1-CG1 4.08Å; Y9-V16 HydrophobicContact CE2-CB 4.06Å; Y9-V16 HydrophobicContact CE2-CG1 4.42Å; Y9-V16 HydrophobicContact CG-CB 3.9Å; Y9-V16 HydrophobicContact CG-CG1 3.82Å; Y9-V16 HydrophobicContact CG-CG2 3.84Å; Y9-P17 HydrophobicContact CE2-CG 4.41Å; Y9-I43 VanDerWaalsContact CD1-O 3.28Å; Y9-I43 WeakPolarHBondContact CD1-O 3.43Å; Y9-I43 PolarHBondContact N-O 3.4Å; Y9-I43 VanDerWaalsContact N-O 3.09Å; Y9-M44 HydrophobicContact CD2-CG 4.22Å; Y9-M44 HydrophobicContact CE1-CB 3.91Å; Y9-M44 HydrophobicContact CE2-CB 3.95Å; Y9-M44 HydrophobicContact CE2-CG 3.74Å; Y9-M44 HydrophobicContact CE2-SD 4.44Å; Y9-M44 CarbonylContact O-C 3.6Å; Y9-M44 WeakPolarHBondContact O-CA 3.26Å; Y9-L45 PolarHBondContact O-N 2.91Å
10R90.2Very high90.1Very high53 Ų5338.6 Ų38.620%0.218%0.182CC..EExtended strand (participates in β ladder)trans-86.7155.3178.4-55.7178.9-176.1-166.1-8.6110.8E12 Q13 V50 D76 W79R10-E12 PolarHBondContact O-N 3.1Å; R10-Q13 HydrophobicContact CB-CG 4.34Å; R10-Q13 WeakPolarHBondContact O-CB 3.43Å; R10-Q13 PolarHBondContact O-N 2.79Å; R10-V50 HydrophobicContact CB-CG2 4.42Å; R10-V50 HydrophobicContact CG-CG1 4.46Å; R10-V50 HydrophobicContact CG-CG2 4.05Å; R10-D76 IonicContact CZ-OD2 3.15Å; R10-D76 IonicContact NH1-OD2 3.36Å; R10-D76 IonicContact NH2-OD1 3.17Å; R10-D76 IonicContact NH2-OD2 3.63Å; R10-D76 PolarHBondContact NH2-OD2 3.39Å; R10-W79 HydrophobicContact CG-CH2 3.71Å; R10-W79 HydrophobicContact CG-CZ2 3.96Å
11E86.3Confident90.2Very high80 Ų8042.5 Ų42.537%0.37420%0.195SC..THydrogen-bonded Turntrans-56.1-33.8176.9-174.1168.1-17300113.7Q13 K14 M44 L45E11-Q13 PolarHBondContact O-N 3Å; E11-K14 WeakPolarHBondContact O-CG 3.35Å; E11-M44 HydrophobicContact CB-CE 4.28Å; E11-M44 HydrophobicContact CB-CG 4.39Å; E11-M44 HydrophobicContact CB-SD 4.06Å; E11-M44 HydrophobicContact CG-CE 4.17Å; E11-M44 HydrophobicContact CG-SD 4.04Å; E11-L45 PolarHBondContact N-O 3.34Å
12E81.4Confident90.9Very high136 Ų13639.1 Ų39.164%0.63618%0.179SC*.THydrogen-bonded Turntrans-61.8-24.2174.4-62.6-173.2165.500113.4R10 K14R10-E12 PolarHBondContact O-N 3.1Å; E12-K14 PolarHBondContact O-N 3.19Å
13Q86.3Confident91.2Very high10 Ų1037.3 Ų37.35%0.04717%0.171CC..  trans-86.955.1-175.7-56.9179.5-63.800112.1Y9 R10 E11 F15 V16 K74Y9-Q13 HydrophobicContact CD2-CB 4.25Å; R10-Q13 HydrophobicContact CB-CG 4.34Å; R10-Q13 WeakPolarHBondContact O-CB 3.43Å; R10-Q13 PolarHBondContact O-N 2.79Å; E11-Q13 PolarHBondContact O-N 3Å; Q13-F15 HydrophobicContact CB-CD1 4.39Å; Q13-F15 HydrophobicContact CB-CE1 3.86Å; Q13-F15 HydrophobicContact CB-CZ 4.23Å; Q13-F15 HydrophobicContact CG-CE1 4.22Å; Q13-F15 PolarHBondContact O-N 3.26Å; Q13-V16 HydrophobicContact CB-CG2 3.94Å; Q13-V16 WeakPolarHBondContact O-CG2 3.23Å; Q13-V16 PolarHBondContact O-N 2.84Å; Q13-V16 VanDerWaalsContact O-N 3.08Å; Q13-K74 VanDerWaalsContact NE2-CB 3.32Å
14K86Confident91.1Very high169 Ų16942.4 Ų42.474%0.73519%0.194SC*.THydrogen-bonded Turntrans-59.9-13.1-175.8-61.9-175.2-179.9-1790114.9E11 E12E11-K14 WeakPolarHBondContact O-CG 3.35Å; E12-K14 PolarHBondContact O-N 3.19Å
15F89.3Confident90.9Very high43 Ų4344.8 Ų44.819%0.18921%0.207CC..THydrogen-bonded Turntrans-74.8-24.8176.963.9-93.5000113.2Q13 S18 V19 L270 E282 A283 L286Q13-F15 HydrophobicContact CB-CD1 4.39Å; Q13-F15 HydrophobicContact CB-CE1 3.86Å; Q13-F15 HydrophobicContact CB-CZ 4.23Å; Q13-F15 HydrophobicContact CG-CE1 4.22Å; Q13-F15 PolarHBondContact O-N 3.26Å; F15-S18 WeakPolarHBondContact O-CB 3.38Å; F15-S18 PolarHBondContact O-N 3.21Å; F15-V19 HydrophobicContact CD2-CG2 3.98Å; F15-V19 WeakPolarHBondContact O-CG2 3.49Å; F15-V19 PolarHBondContact O-N 2.72Å; F15-L270 HydrophobicContact CB-CD2 4.07Å; F15-E282 HydrophobicContact CE1-CB 4.05Å; F15-E282 HydrophobicContact CE2-CB 4.27Å; F15-E282 HydrophobicContact CZ-CB 3.56Å; F15-A283 HydrophobicContact CB-CB 4.45Å; F15-A283 HydrophobicContact CD2-CB 3.66Å; F15-A283 HydrophobicContact CE2-CB 4.15Å; F15-A283 HydrophobicContact CG-CB 4.18Å; F15-L286 HydrophobicContact CD2-CD2 4.32Å; F15-L286 HydrophobicContact CE2-CB 4.36Å; F15-L286 HydrophobicContact CE2-CD2 3.88Å
16V93Very high90.3Very high0 Ų047.5 Ų47.50%022%0.22CC..Hα-helixtrans-54.1-49.9-173174.20000112.9I7 Y9 Q13 S18 V19 V20 W97 L286I7-V16 HydrophobicContact CG2-CG1 3.91Å; Y9-V16 HydrophobicContact CD1-CB 4.31Å; Y9-V16 HydrophobicContact CD1-CG1 3.77Å; Y9-V16 HydrophobicContact CD2-CB 3.78Å; Y9-V16 HydrophobicContact CD2-CG1 4.17Å; Y9-V16 HydrophobicContact CD2-CG2 3.83Å; Y9-V16 HydrophobicContact CE1-CG1 4.08Å; Y9-V16 HydrophobicContact CE2-CB 4.06Å; Y9-V16 HydrophobicContact CE2-CG1 4.42Å; Y9-V16 HydrophobicContact CG-CB 3.9Å; Y9-V16 HydrophobicContact CG-CG1 3.82Å; Y9-V16 HydrophobicContact CG-CG2 3.84Å; Q13-V16 HydrophobicContact CB-CG2 3.94Å; Q13-V16 WeakPolarHBondContact O-CG2 3.23Å; Q13-V16 PolarHBondContact O-N 2.84Å; Q13-V16 VanDerWaalsContact O-N 3.08Å; V16-S18 VanDerWaalsContact C-N 3.27Å; V16-S18 PolarHBondContact O-N 2.66Å; V16-V19 PolarHBondContact O-N 3.18Å; V16-V20 WeakPolarHBondContact O-CG2 3.15Å; V16-V20 PolarHBondContact O-N 2.85Å; V16-V20 VanDerWaalsContact O-N 3.08Å; V16-W97 HydrophobicContact CG2-CZ2 4.49Å; V16-L286 HydrophobicContact CB-CD2 4.15Å; V16-L286 HydrophobicContact CG1-CD2 4.08Å; V16-L286 HydrophobicContact CG2-CD2 3.7Å
17P92.9Very high89.5Confident47 Ų4749 Ų4931%0.30523%0.227SC..Hα-helixtrans-62.2-33.5178.4-23.735.9000113.5Y9 R21Y9-P17 HydrophobicContact CE2-CG 4.41Å; P17-R21 WeakPolarHBondContact O-CB 3.12Å; P17-R21 PolarHBondContact O-N 2.7Å
18S92.3Very high88.4Confident25 Ų2557.8 Ų57.818%0.17526%0.261CS..Hα-helixtrans-70.8-38.4177.8-62.40000111.7F15 V16 R21 F22F15-S18 WeakPolarHBondContact O-CB 3.38Å; F15-S18 PolarHBondContact O-N 3.21Å; V16-S18 VanDerWaalsContact C-N 3.27Å; V16-S18 PolarHBondContact O-N 2.66Å; S18-R21 PolarHBondContact O-N 3.1Å; S18-F22 WeakPolarHBondContact O-CB 3.22Å; S18-F22 PolarHBondContact O-N 2.77Å
19V93.5Very high87.2Confident0 Ų065.4 Ų65.40%029%0.294CS..Hα-helixtrans-61-47.6173179.40000110.9F15 V16 R21 F22 L23 F266 L270 A283 L286 H287 I290F15-V19 HydrophobicContact CD2-CG2 3.98Å; F15-V19 WeakPolarHBondContact O-CG2 3.49Å; F15-V19 PolarHBondContact O-N 2.72Å; V16-V19 PolarHBondContact O-N 3.18Å; V19-R21 PolarHBondContact O-N 3.28Å; V19-F22 PolarHBondContact O-N 3.35Å; V19-L23 HydrophobicContact CG1-CD1 4.22Å; V19-L23 PolarHBondContact O-N 3.39Å; V19-L23 VanDerWaalsContact O-N 3.08Å; V19-F266 HydrophobicContact CB-CE2 4.37Å; V19-F266 HydrophobicContact CB-CZ 4.24Å; V19-F266 HydrophobicContact CG1-CE2 4.22Å; V19-F266 HydrophobicContact CG1-CZ 3.97Å; V19-F266 HydrophobicContact CG2-CE2 4.17Å; V19-F266 HydrophobicContact CG2-CZ 3.69Å; V19-L270 HydrophobicContact CG2-CD2 4.12Å; V19-A283 HydrophobicContact CG2-CB 4.01Å; V19-L286 HydrophobicContact CB-CD2 4.26Å; V19-L286 HydrophobicContact CG1-CD2 4.35Å; V19-L286 HydrophobicContact CG1-CG 4.25Å; V19-L286 HydrophobicContact CG2-CD2 4.33Å; V19-H287 HydrophobicContact CG1-CB 4.1Å; V19-I290 HydrophobicContact CG1-CD1 4.35Å
20V93.5Very high85.8Confident23 Ų2370.3 Ų70.314%0.13932%0.315CS..Hα-helixtrans-61.8-44.6178.5173.70000111.5I7 V16 F22 L23 K24 V40 T42I7-V20 HydrophobicContact CD1-CG2 3.81Å; V16-V20 WeakPolarHBondContact O-CG2 3.15Å; V16-V20 PolarHBondContact O-N 2.85Å; V16-V20 VanDerWaalsContact O-N 3.08Å; V20-F22 VanDerWaalsContact C-N 3.34Å; V20-F22 PolarHBondContact O-N 2.85Å; V20-L23 PolarHBondContact O-N 2.61Å; V20-K24 WeakPolarHBondContact O-CB 3.27Å; V20-K24 PolarHBondContact O-N 2.99Å; V20-V40 HydrophobicContact CG1-CB 3.84Å; V20-V40 HydrophobicContact CG1-CG1 4.23Å; V20-V40 HydrophobicContact CG1-CG2 4.44Å; V20-V40 HydrophobicContact CG2-CB 4.29Å; V20-V40 HydrophobicContact CG2-CG1 3.81Å; V20-T42 HydrophobicContact CG2-CG2 3.99Å
21R92.1Very high84.2Confident120 Ų12071.6 Ų71.645%0.45335%0.345SS..Hα-helixtrans-61.2-43.3177.4-167.9-171.1-55.4121.53.8111.7P17 S18 V19 K24 N25 E269P17-R21 WeakPolarHBondContact O-CB 3.12Å; P17-R21 PolarHBondContact O-N 2.7Å; S18-R21 PolarHBondContact O-N 3.1Å; V19-R21 PolarHBondContact O-N 3.28Å; R21-K24 PolarHBondContact O-N 3.35Å; R21-N25 WeakPolarHBondContact O-CB 3.25Å; R21-N25 VanDerWaalsContact O-CG 3.28Å; R21-N25 PolarHBondContact O-N 3.42Å; R21-N25 PolarHBondContact O-ND2 3.38Å; R21-E269 IonicContact NH1-OE1 3.93Å; R21-E269 PolarHBondContact NH1-OE1 3.31Å; R21-E269 VanDerWaalsContact NH1-OE1 3.17Å
22F91.5Very high83Confident13 Ų1374.8 Ų74.86%0.05736%0.36CS..Hα-helixtrans-60.2-50.4179.1-177.5-100.8000112S18 V19 V20 K24 N25 M26 Y262 R265 F266 E269S18-F22 WeakPolarHBondContact O-CB 3.22Å; S18-F22 PolarHBondContact O-N 2.77Å; V19-F22 PolarHBondContact O-N 3.35Å; V20-F22 VanDerWaalsContact C-N 3.34Å; V20-F22 PolarHBondContact O-N 2.85Å; F22-K24 VanDerWaalsContact C-N 3.34Å; F22-K24 PolarHBondContact O-N 2.87Å; F22-N25 PolarHBondContact O-N 3.24Å; F22-M26 HydrophobicContact CD1-CG 4.2Å; F22-M26 HydrophobicContact CE1-CG 3.89Å; F22-M26 HydrophobicContact CE2-CG 4.47Å; F22-M26 HydrophobicContact CZ-CG 4.04Å; F22-M26 HydrophobicContact CZ-SD 4.35Å; F22-M26 WeakPolarHBondContact O-CG 3.2Å; F22-M26 PolarHBondContact O-N 2.91Å; F22-Y262 HydrophobicContact CE1-CE1 4.2Å; F22-Y262 AromaticContact CE1-CE2 3.82Å; F22-Y262 HydrophobicContact CE1-CE2 3.82Å; F22-Y262 AromaticContact CE1-CZ 3.57Å; F22-Y262 WeakPolarHBondContact CE1-OH 3.29Å; F22-Y262 HydrophobicContact CZ-CE2 4.03Å; F22-R265 HydrophobicContact CE2-CB 4.25Å; F22-R265 HydrophobicContact CZ-CB 4.46Å; F22-F266 HydrophobicContact CB-CD2 3.96Å; F22-F266 HydrophobicContact CB-CE2 3.98Å; F22-F266 AromaticContact CD1-CD2 3.23Å; F22-F266 HydrophobicContact CD1-CD2 3.23Å; F22-F266 AromaticContact CD1-CE2 3.67Å; F22-F266 HydrophobicContact CD1-CE2 3.67Å; F22-F266 HydrophobicContact CD1-CG 4.22Å; F22-F266 AromaticContact CD2-CD2 3.91Å; F22-F266 HydrophobicContact CD2-CD2 3.91Å; F22-F266 HydrophobicContact CE1-CB 3.94Å; F22-F266 AromaticContact CE1-CD2 3.5Å; F22-F266 HydrophobicContact CE1-CD2 3.5Å; F22-F266 VanDerWaalsContact CE1-CD2 3.5Å; F22-F266 HydrophobicContact CE1-CE2 4.28Å; F22-F266 HydrophobicContact CE1-CG 4.05Å; F22-F266 HydrophobicContact CE2-CB 4.12Å; F22-F266 HydrophobicContact CE2-CD2 4.16Å; F22-F266 AromaticContact CG-CD2 3.43Å; F22-F266 HydrophobicContact CG-CD2 3.43Å; F22-F266 VanDerWaalsContact CG-CD2 3.43Å; F22-F266 AromaticContact CG-CE2 3.91Å; F22-F266 HydrophobicContact CG-CE2 3.91Å; F22-F266 HydrophobicContact CZ-CB 3.73Å; F22-F266 AromaticContact CZ-CD2 3.97Å; F22-F266 HydrophobicContact CZ-CD2 3.97Å; F22-F266 HydrophobicContact CZ-CG 4.3Å; F22-E269 HydrophobicContact CB-CG 4.17Å; F22-E269 HydrophobicContact CD2-CB 3.95Å; F22-E269 HydrophobicContact CD2-CG 4.17Å
23L90.2Very high82.1Confident24 Ų2475.5 Ų75.513%0.12637%0.374CS..Hα-helixtrans-61.6-41.7179.3-73.7172.5000112.1V19 V20 N25 M26 Q27 I290V19-L23 HydrophobicContact CG1-CD1 4.22Å; V19-L23 PolarHBondContact O-N 3.39Å; V19-L23 VanDerWaalsContact O-N 3.08Å; V20-L23 PolarHBondContact O-N 2.61Å; L23-N25 VanDerWaalsContact C-N 3.32Å; L23-N25 PolarHBondContact O-N 2.94Å; L23-M26 PolarHBondContact O-N 2.96Å; L23-Q27 WeakPolarHBondContact O-CG 3.29Å; L23-Q27 PolarHBondContact O-N 2.97Å; L23-I290 HydrophobicContact CD1-CB 3.78Å; L23-I290 HydrophobicContact CD1-CD1 3.56Å; L23-I290 HydrophobicContact CD1-CG1 4.28Å; L23-I290 HydrophobicContact CD1-CG2 3.67Å
24K88Confident81.4Confident107 Ų10777.8 Ų77.847%0.46538%0.384SS..Hα-helixtrans-60.7-40.3175.2-174.2174.5-176.2171.10112.4V20 R21 F22 R28V20-K24 WeakPolarHBondContact O-CB 3.27Å; V20-K24 PolarHBondContact O-N 2.99Å; R21-K24 PolarHBondContact O-N 3.35Å; F22-K24 VanDerWaalsContact C-N 3.34Å; F22-K24 PolarHBondContact O-N 2.87Å; K24-R28 WeakPolarHBondContact O-CG 3.24Å; K24-R28 PolarHBondContact O-N 3.12Å
25N86.5Confident80.9Confident67 Ų6774.7 Ų74.736%0.35838%0.375SS..Hα-helixtrans-69.5-36.4177.2-73-15.6000112R21 F22 L23 R28 K29R21-N25 WeakPolarHBondContact O-CB 3.25Å; R21-N25 VanDerWaalsContact O-CG 3.28Å; R21-N25 PolarHBondContact O-N 3.42Å; R21-N25 PolarHBondContact O-ND2 3.38Å; F22-N25 PolarHBondContact O-N 3.24Å; L23-N25 VanDerWaalsContact C-N 3.32Å; L23-N25 PolarHBondContact O-N 2.94Å; N25-R28 PolarHBondContact O-N 3.47Å; N25-K29 PolarHBondContact O-N 3.48Å
26M81.9Confident80.7Confident57 Ų5773.2 Ų73.228%0.28137%0.369SS..Hα-helixtrans-68.3-39.3176.4-72.5-59.6-57.500112.3F22 L23 R28 K29 Y262F22-M26 HydrophobicContact CD1-CG 4.2Å; F22-M26 HydrophobicContact CE1-CG 3.89Å; F22-M26 HydrophobicContact CE2-CG 4.47Å; F22-M26 HydrophobicContact CZ-CG 4.04Å; F22-M26 HydrophobicContact CZ-SD 4.35Å; F22-M26 WeakPolarHBondContact O-CG 3.2Å; F22-M26 PolarHBondContact O-N 2.91Å; L23-M26 PolarHBondContact O-N 2.96Å; M26-R28 PolarHBondContact O-N 3.25Å; M26-K29 PolarHBondContact O-N 3.07Å; M26-Y262 HydrophobicContact CE-CD2 4.39Å; M26-Y262 HydrophobicContact CE-CE2 3.99Å; M26-Y262 HydrophobicContact CG-CE2 4.41Å
27Q78.4Confident80.5Confident31 Ų3176.1 Ų76.115%0.14538%0.384CS..Hα-helixtrans-57.4-47.2172.8-79.4172.8-50.200111.9L23 K29 K30 L38L23-Q27 WeakPolarHBondContact O-CG 3.29Å; L23-Q27 PolarHBondContact O-N 2.97Å; Q27-K29 PolarHBondContact O-N 3.08Å; Q27-K30 PolarHBondContact O-N 3.12Å; Q27-L38 PolarHBondContact NE2-O 2.64Å; Q27-L38 PolarHBondContact OE1-O 3.47Å
28R74Confident80.3Confident185 Ų18574.1 Ų74.170%0.69837%0.371SS*.Hα-helixtrans-61.4-30.2-179.3-74.8177170.1-173.4-6.3113.9K24 N25 M26 K30K24-R28 WeakPolarHBondContact O-CG 3.24Å; K24-R28 PolarHBondContact O-N 3.12Å; N25-R28 PolarHBondContact O-N 3.47Å; M26-R28 PolarHBondContact O-N 3.25Å; R28-K30 VanDerWaalsContact C-N 3.33Å
29K69.2Low80.2Confident162 Ų16276 Ų7670%0.70438%0.377SS*.Hα-helixtrans-76.5-18.1-178.6-76.3-174.3177.4-175.90113.6N25 M26 Q27 G31N25-K29 PolarHBondContact O-N 3.48Å; M26-K29 PolarHBondContact O-N 3.07Å; Q27-K29 PolarHBondContact O-N 3.08Å; K29-G31 VanDerWaalsContact C-N 3.33Å; K29-G31 PolarHBondContact O-N 2.72Å
30K65.3Low80.2Confident124 Ų12477.7 Ų77.754%0.53939%0.387SS..THydrogen-bonded Turntrans-72.7-17.1-169.1-100.2-170.4172.5-166.30115.3Q27 R28 E32Q27-K30 PolarHBondContact O-N 3.12Å; R28-K30 VanDerWaalsContact C-N 3.33Å; K30-E32 PolarHBondContact O-N 3.13Å
31G56.3Low80.3Confident80 Ų8080.4 Ų80.483%0.82540%0.395SS*.  trans61.2-14.5170.600000117.1K29K29-G31 VanDerWaalsContact C-N 3.33Å; K29-G31 PolarHBondContact O-N 2.72Å
32E60.6Low80.4Confident147 Ų14777.4 Ų77.469%0.68739%0.39SS*.SBendtrans-78146.9176.6-73176163.300110.8K30 E34K30-E32 PolarHBondContact O-N 3.13Å; E32-E34 PolarHBondContact O-N 3.4Å
33V63.4Low80.6Confident152 Ų15278.6 Ų78.692%0.92140%0.397SS*.  trans-69.193.2173.2-178.70000108.3
34E71.6Confident80.7Confident58 Ų5881.1 Ų81.127%0.27141%0.409SS..  trans-74.4136.3175.6-63.4-169154.200110.6E32 F36 R294E32-E34 PolarHBondContact O-N 3.4Å; E34-F36 WeakPolarHBondContact CB-O 3.5Å; E34-F36 PolarHBondContact O-N 2.71Å; E34-R294 IonicContact OE1-CZ 3.47Å; E34-R294 IonicContact OE1-NH1 2.69Å; E34-R294 PolarHBondContact OE1-NH1 2.93Å; E34-R294 IonicContact OE1-NH2 2.71Å; E34-R294 PolarHBondContact OE1-NH2 2.77Å; E34-R294 IonicContact OE2-NH1 2.69Å; E34-R294 IonicContact OE2-NH2 3.69Å
35L76.4Confident80.9Confident104 Ų10476 Ų7655%0.54539%0.387SS..SBendtrans-57.1-30.7176.2-72.6166.4000112.3L301L35-L301 HydrophobicContact CB-CD1 4.49Å; L35-L301 HydrophobicContact CD1-CB 4.39Å
36F85.1Confident81.1Confident11 Ų1179.2 Ų79.25%0.04839%0.394CS..  trans-149.2156178.267.8-81.8000110.8M1 L3 E34 L38 R294 I297 E298 L301M1-F36 HydrophobicContact CE-CB 4.2Å; M1-F36 CarbonylContact O-C 3.53Å; M1-F36 VanDerWaalsContact O-CA 3.27Å; M1-F36 WeakPolarHBondContact O-CA 3.42Å; L3-F36 HydrophobicContact CB-CD2 4.38Å; L3-F36 HydrophobicContact CD1-CB 4.13Å; L3-F36 HydrophobicContact CD1-CD2 3.72Å; L3-F36 HydrophobicContact CD1-CE2 4.29Å; L3-F36 HydrophobicContact CD1-CG 3.94Å; L3-F36 HydrophobicContact CG-CB 4.39Å; L3-F36 HydrophobicContact CG-CD2 4.3Å; E34-F36 WeakPolarHBondContact CB-O 3.5Å; E34-F36 PolarHBondContact O-N 2.71Å; F36-L38 HydrophobicContact CD2-CB 4.46Å; F36-L38 HydrophobicContact CE2-CB 4.16Å; F36-R294 HydrophobicContact CE2-CG 4.33Å; F36-R294 HydrophobicContact CZ-CG 4.04Å; F36-I297 HydrophobicContact CD1-CG2 3.98Å; F36-I297 HydrophobicContact CD2-CG2 4.25Å; F36-I297 HydrophobicContact CE1-CB 4.28Å; F36-I297 HydrophobicContact CE1-CG2 3.58Å; F36-I297 HydrophobicContact CE2-CB 4.3Å; F36-I297 HydrophobicContact CE2-CG2 3.86Å; F36-I297 HydrophobicContact CG-CG2 4.3Å; F36-I297 HydrophobicContact CZ-CB 3.84Å; F36-I297 HydrophobicContact CZ-CG2 3.5Å; F36-I297 VanDerWaalsContact CZ-CG2 3.5Å; F36-E298 HydrophobicContact CE1-CB 4.48Å; F36-E298 HydrophobicContact CE1-CG 3.61Å; F36-E298 HydrophobicContact CZ-CG 3.78Å; F36-L301 HydrophobicContact CB-CD1 4.45Å; F36-L301 HydrophobicContact CD1-CD1 3.47Å; F36-L301 VanDerWaalsContact CD1-CD1 3.47Å; F36-L301 HydrophobicContact CE1-CD1 4.02Å; F36-L301 HydrophobicContact CG-CD1 4.21Å
37N87Confident81.1Confident62 Ų6280.8 Ų80.833%0.33240%0.403SS..EExtended strand (participates in β ladder)trans-106.4126.6168.2-175.125.2000108.8M1 K2 L3M1-N37 PolarHBondContact O-N 3.29Å; K2-N37 WeakPolarHBondContact CA-O 3.3Å; L3-N37 PolarHBondContact N-O 3.37Å
38L89Confident81.4Confident5 Ų584 Ų843%0.02643%0.429CS..EExtended strand (participates in β ladder)trans-89.7116.2174.9177.562.8000109.7L3 Q27 F36 I290 F293 R294L3-L38 WeakPolarHBondContact O-CA 3.2Å; Q27-L38 PolarHBondContact NE2-O 2.64Å; Q27-L38 PolarHBondContact OE1-O 3.47Å; F36-L38 HydrophobicContact CD2-CB 4.46Å; F36-L38 HydrophobicContact CE2-CB 4.16Å; L38-I290 HydrophobicContact CD2-CG2 3.91Å; L38-F293 HydrophobicContact CD1-CD1 3.86Å; L38-F293 HydrophobicContact CD1-CE1 3.53Å; L38-F293 HydrophobicContact CD2-CD1 3.99Å; L38-F293 HydrophobicContact CD2-CE1 4.49Å; L38-R294 HydrophobicContact CD2-CB 4Å
39E90.9Very high82Confident65 Ų6576.4 Ų76.430%0.30440%0.401SS..EExtended strand (participates in β ladder)trans-103.8140.4171.6-66.6-169.7-175.600110.4K2 L3 F4 S5K2-E39 WeakPolarHBondContact CD-OE1 3.47Å; K2-E39 VanDerWaalsContact CE-OE1 3.3Å; K2-E39 WeakPolarHBondContact CE-OE1 3.42Å; L3-E39 PolarHBondContact O-N 2.72Å; F4-E39 CarbonylContact C-O 3.53Å; F4-E39 VanDerWaalsContact CA-O 3.23Å; F4-E39 WeakPolarHBondContact CA-O 3.32Å; F4-E39 HydrophobicContact CD1-CB 3.74Å; F4-E39 HydrophobicContact CE1-CB 3.88Å; F4-E39 HydrophobicContact CE1-CG 4.47Å; F4-E39 VanDerWaalsContact CE1-OE2 3.3Å; F4-E39 WeakPolarHBondContact CE1-OE2 2.8Å; S5-E39 PolarHBondContact N-O 3.3Å
40V93.5Very high82.6Confident35 Ų3569.2 Ų69.221%0.21237%0.371CS..EExtended strand (participates in β ladder)trans-111.9120.8-177.5-175.10000109.1S5 I7 V20 T42 I290S5-V40 WeakPolarHBondContact O-CA 3.38Å; I7-V40 HydrophobicContact CD1-CG1 3.3Å; I7-V40 HydrophobicContact CG1-CG1 3.61Å; V20-V40 HydrophobicContact CG1-CB 3.84Å; V20-V40 HydrophobicContact CG1-CG1 4.23Å; V20-V40 HydrophobicContact CG1-CG2 4.44Å; V20-V40 HydrophobicContact CG2-CB 4.29Å; V20-V40 HydrophobicContact CG2-CG1 3.81Å; V40-T42 HydrophobicContact CG1-CG2 4.08Å; V40-I290 HydrophobicContact CG2-CG2 4.42Å
41R94.6Very high83.4Confident80 Ų8069.1 Ų69.130%0.30238%0.377SS..EExtended strand (participates in β ladder)trans-96.3137.9171.8-58.1-166-174.6-155.55.1108.7F4 S5 G6 I7 L63 Q66F4-R41 HydrophobicContact CD1-CG 4.19Å; S5-R41 PolarHBondContact O-N 3.07Å; G6-R41 CarbonylContact C-O 3.24Å; G6-R41 WeakPolarHBondContact CA-O 3.38Å; I7-R41 PolarHBondContact N-O 2.98Å; R41-L63 HydrophobicContact CB-CD2 4Å; R41-Q66 VanDerWaalsContact NH1-CB 3.26Å; R41-Q66 VanDerWaalsContact NH1-CG 3.34Å
42T94.9Very high85Confident56 Ų5668.9 Ų68.934%0.34436%0.356SS..EExtended strand (participates in β ladder)trans-130134-174.366.90000110.6I7 V20 V40I7-T42 HydrophobicContact CB-CG2 4.19Å; I7-T42 HydrophobicContact CD1-CG2 4.43Å; I7-T42 CarbonylContact O-C 3.55Å; I7-T42 WeakPolarHBondContact O-CA 3.44Å; V20-T42 HydrophobicContact CG2-CG2 3.99Å; V40-T42 HydrophobicContact CG1-CG2 4.08Å
43I95Very high86.4Confident39 Ų3964.9 Ų64.920%0.234%0.342CS..EExtended strand (participates in β ladder)trans-122.3125.8170.6-61.1178.1000108.6I7 I8 Y9 V59 L63I7-I43 PolarHBondContact O-N 2.86Å; I8-I43 WeakPolarHBondContact CA-O 3.25Å; Y9-I43 VanDerWaalsContact CD1-O 3.28Å; Y9-I43 WeakPolarHBondContact CD1-O 3.43Å; Y9-I43 PolarHBondContact N-O 3.4Å; Y9-I43 VanDerWaalsContact N-O 3.09Å; I43-V59 HydrophobicContact CB-CG1 3.78Å; I43-V59 HydrophobicContact CD1-CG1 3.85Å; I43-V59 HydrophobicContact CG1-CG1 4.39Å; I43-V59 HydrophobicContact CG2-CB 4.45Å; I43-V59 HydrophobicContact CG2-CG1 3.5Å; I43-V59 HydrophobicContact CG2-CG2 4.06Å; I43-L63 HydrophobicContact CD1-CD1 4.23Å; I43-L63 HydrophobicContact CD1-CD2 3.74Å; I43-L63 HydrophobicContact CD1-CG 3.69Å; I43-L63 HydrophobicContact CG1-CD2 4.04Å; I43-L63 HydrophobicContact CG1-CG 4.33Å
44M93.4Very high87.8Confident76 Ų7665 Ų6537%0.37433%0.326SS..EExtended strand (participates in β ladder)trans-93.8128.1175.5-170.6-168.178.600109.2Y9 E11 R46Y9-M44 HydrophobicContact CD2-CG 4.22Å; Y9-M44 HydrophobicContact CE1-CB 3.91Å; Y9-M44 HydrophobicContact CE2-CB 3.95Å; Y9-M44 HydrophobicContact CE2-CG 3.74Å; Y9-M44 HydrophobicContact CE2-SD 4.44Å; Y9-M44 CarbonylContact O-C 3.6Å; Y9-M44 WeakPolarHBondContact O-CA 3.26Å; E11-M44 HydrophobicContact CB-CE 4.28Å; E11-M44 HydrophobicContact CB-CG 4.39Å; E11-M44 HydrophobicContact CB-SD 4.06Å; E11-M44 HydrophobicContact CG-CE 4.17Å; E11-M44 HydrophobicContact CG-SD 4.04Å; M44-R46 HydrophobicContact CE-CG 4.19Å
45L92.2Very high88.8Confident1 Ų166.6 Ų66.61%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-93.7130.5167.6-72.5175.9000109.6I8 Y9 E11 E49 R55 L56 V59 W79I8-L45 HydrophobicContact CG2-CD1 3.98Å; I8-L45 HydrophobicContact CG2-CG 4.32Å; Y9-L45 PolarHBondContact O-N 2.91Å; E11-L45 PolarHBondContact N-O 3.34Å; L45-E49 HydrophobicContact CD2-CB 4.14Å; L45-R55 HydrophobicContact CD2-CG 4Å; L45-L56 HydrophobicContact CD1-CB 4.43Å; L45-L56 HydrophobicContact CD1-CD1 3.5Å; L45-V59 HydrophobicContact CD2-CG2 3.96Å; L45-W79 HydrophobicContact CB-CH2 4.41Å; L45-W79 HydrophobicContact CB-CZ2 4.5Å; L45-W79 HydrophobicContact CD1-CH2 3.58Å; L45-W79 HydrophobicContact CD1-CZ2 3.53Å; L45-W79 HydrophobicContact CD1-CZ3 4.49Å; L45-W79 HydrophobicContact CG-CH2 4.45Å
46R90.1Very high89.6Confident134 Ų13461.6 Ų61.651%0.50630%0.304SS..PPolyproline II helixtrans-71.1155.5175.1-66.3176.2-71.4175.1-0.2110M44 S48 E49 V50M44-R46 HydrophobicContact CE-CG 4.19Å; R46-S48 PolarHBondContact O-N 3.33Å; R46-E49 HydrophobicContact CB-CG 4.38Å; R46-E49 WeakPolarHBondContact CB-OE2 3.36Å; R46-E49 IonicContact CZ-OE1 2.84Å; R46-E49 PolarHBondContact N-OE2 2.83Å; R46-E49 IonicContact NE-OE1 3.31Å; R46-E49 PolarHBondContact NE-OE1 2.82Å; R46-E49 IonicContact NE-OE2 3.69Å; R46-E49 PolarHBondContact NE-OE2 3.37Å; R46-E49 IonicContact NH2-OE1 2.89Å; R46-E49 PolarHBondContact NH2-OE1 2.85Å; R46-E49 WeakPolarHBondContact O-CA 3.42Å; R46-E49 WeakPolarHBondContact O-CB 3.5Å; R46-E49 PolarHBondContact O-N 2.79Å; R46-V50 WeakPolarHBondContact O-CG2 3.18Å; R46-V50 PolarHBondContact O-N 3.31Å
47D81.5Confident90Very high89 Ų8963.8 Ų63.848%0.47632%0.315SS..THydrogen-bonded Turntrans-55.4-30.1-179.1-69.2-17.6000113.5E49D47-E49 VanDerWaalsContact C-N 3.28Å; D47-E49 PolarHBondContact O-N 3.46Å
48S85.6Confident90.4Very high99 Ų9964.6 Ų64.669%0.69232%0.317SS*.THydrogen-bonded Turntrans-69.2-22.8174.659.20000114.2R46R46-S48 PolarHBondContact O-N 3.33Å
49E87Confident90.6Very high25 Ų2564.6 Ų64.612%0.11732%0.317CS..THydrogen-bonded Turntrans-99-13.1-175.4-61.2168.8147.100112.1L45 R46 D47 N51 D52 R55L45-E49 HydrophobicContact CD2-CB 4.14Å; R46-E49 HydrophobicContact CB-CG 4.38Å; R46-E49 WeakPolarHBondContact CB-OE2 3.36Å; R46-E49 IonicContact CZ-OE1 2.84Å; R46-E49 PolarHBondContact N-OE2 2.83Å; R46-E49 IonicContact NE-OE1 3.31Å; R46-E49 PolarHBondContact NE-OE1 2.82Å; R46-E49 IonicContact NE-OE2 3.69Å; R46-E49 PolarHBondContact NE-OE2 3.37Å; R46-E49 IonicContact NH2-OE1 2.89Å; R46-E49 PolarHBondContact NH2-OE1 2.85Å; R46-E49 WeakPolarHBondContact O-CA 3.42Å; R46-E49 WeakPolarHBondContact O-CB 3.5Å; R46-E49 PolarHBondContact O-N 2.79Å; D47-E49 VanDerWaalsContact C-N 3.28Å; D47-E49 PolarHBondContact O-N 3.46Å; E49-N51 VanDerWaalsContact C-N 3.28Å; E49-N51 PolarHBondContact O-N 3.21Å; E49-D52 WeakPolarHBondContact O-CB 3.5Å; E49-D52 PolarHBondContact O-N 2.95Å; E49-R55 HydrophobicContact CB-CG 4.22Å; E49-R55 HydrophobicContact CG-CG 4.43Å; E49-R55 IonicContact OE1-NE 3.52Å
50V80.6Confident90.9Very high12 Ų1261.5 Ų61.57%0.07330%0.302CS..THydrogen-bonded Turntrans-60.6-34.1-171.9173.50000113.1R10 R46 W79R10-V50 HydrophobicContact CB-CG2 4.42Å; R10-V50 HydrophobicContact CG-CG1 4.46Å; R10-V50 HydrophobicContact CG-CG2 4.05Å; R46-V50 WeakPolarHBondContact O-CG2 3.18Å; R46-V50 PolarHBondContact O-N 3.31Å; V50-W79 HydrophobicContact CG1-CZ2 4.16Å; V50-W79 PolarHBondContact O-NE1 2.71Å
51N83.1Confident91Very high122 Ų12260.9 Ų60.965%0.65230%0.299SS*.THydrogen-bonded Turntrans-89.2-3.9179.7-66.2-14.5000113.3E49 T53E49-N51 VanDerWaalsContact C-N 3.28Å; E49-N51 PolarHBondContact O-N 3.21Å; N51-T53 PolarHBondContact O-N 2.69Å
52D90.1Very high91Very high74 Ų7460.8 Ų60.840%0.39630%0.302SS..  trans-89.395.8179.9-174.7-13.7000109.8E49 W54 R55 L56E49-D52 WeakPolarHBondContact O-CB 3.5Å; E49-D52 PolarHBondContact O-N 2.95Å; D52-W54 PolarHBondContact O-N 2.98Å; D52-W54 WeakPolarHBondContact OD1-CB 3.22Å; D52-W54 PolarHBondContact OD1-N 2.85Å; D52-R55 HydrophobicContact CB-CB 3.84Å; D52-R55 PolarHBondContact O-N 3.24Å; D52-R55 PolarHBondContact OD1-N 3.39Å; D52-L56 PolarHBondContact O-N 3.48Å
53T90Very high91Very high64 Ų6458.1 Ų58.139%0.39329%0.286SS..Hα-helixtrans-65-28179.854.10000112.7N51 L56 M57 Q78N51-T53 PolarHBondContact O-N 2.69Å; T53-L56 PolarHBondContact O-N 2.91Å; T53-M57 PolarHBondContact O-N 2.94Å; T53-Q78 HydrophobicContact CG2-CB 4.28Å
54W91.6Very high91Very high153 Ų15356.3 Ų56.358%0.5828%0.277SS*.Hα-helixtrans-69.3-44.7174.6172.8-105.3000110.6D52 L56 M57 Q58D52-W54 PolarHBondContact O-N 2.98Å; D52-W54 WeakPolarHBondContact OD1-CB 3.22Å; D52-W54 PolarHBondContact OD1-N 2.85Å; W54-L56 VanDerWaalsContact C-N 3.3Å; W54-L56 PolarHBondContact O-N 3.07Å; W54-M57 WeakPolarHBondContact O-CB 3.48Å; W54-M57 PolarHBondContact O-N 3.31Å; W54-Q58 HydrophobicContact CD2-CG 4.49Å; W54-Q58 HydrophobicContact CZ2-CG 4.26Å; W54-Q58 WeakPolarHBondContact O-CG 3.18Å; W54-Q58 PolarHBondContact O-N 2.96Å
55R93.8Very high91Very high92 Ų9256.8 Ų56.835%0.34728%0.276SS..Hα-helixtrans-60.1-41.3174.2-177.256.7177.31603.5111.9L45 E49 D52 M57 Q58 V59L45-R55 HydrophobicContact CD2-CG 4Å; E49-R55 HydrophobicContact CB-CG 4.22Å; E49-R55 HydrophobicContact CG-CG 4.43Å; E49-R55 IonicContact OE1-NE 3.52Å; D52-R55 HydrophobicContact CB-CB 3.84Å; D52-R55 PolarHBondContact O-N 3.24Å; D52-R55 PolarHBondContact OD1-N 3.39Å; R55-M57 VanDerWaalsContact C-N 3.35Å; R55-Q58 PolarHBondContact O-N 3.37Å; R55-V59 WeakPolarHBondContact O-CG2 3.24Å; R55-V59 PolarHBondContact O-N 3.48Å
56L93.2Very high91Very high0 Ų059.8 Ų59.80%029%0.29CS..Hα-helixtrans-61.6-42.3175.6-175.467.9000111.8I8 L45 D52 T53 W54 V59 A60 W79 M82 L83I8-L56 HydrophobicContact CD1-CD1 4.38Å; I8-L56 HydrophobicContact CG2-CD1 3.78Å; L45-L56 HydrophobicContact CD1-CB 4.43Å; L45-L56 HydrophobicContact CD1-CD1 3.5Å; D52-L56 PolarHBondContact O-N 3.48Å; T53-L56 PolarHBondContact O-N 2.91Å; W54-L56 VanDerWaalsContact C-N 3.3Å; W54-L56 PolarHBondContact O-N 3.07Å; L56-V59 PolarHBondContact O-N 2.87Å; L56-A60 PolarHBondContact O-N 3.47Å; L56-W79 HydrophobicContact CD1-CD2 3.85Å; L56-W79 HydrophobicContact CD1-CE3 3.8Å; L56-W79 HydrophobicContact CD1-CH2 4.08Å; L56-W79 HydrophobicContact CD1-CZ2 4.1Å; L56-W79 HydrophobicContact CD1-CZ3 3.92Å; L56-W79 HydrophobicContact CD2-CB 3.82Å; L56-W79 HydrophobicContact CD2-CD2 3.59Å; L56-W79 HydrophobicContact CD2-CE3 4.18Å; L56-W79 HydrophobicContact CD2-CG 3.4Å; L56-W79 VanDerWaalsContact CD2-CG 3.4Å; L56-W79 HydrophobicContact CG-CD2 4.38Å; L56-M82 HydrophobicContact CB-CE 3.76Å; L56-M82 HydrophobicContact CD2-CE 3.33Å; L56-M82 HydrophobicContact CG-CE 3.23Å; L56-L83 HydrophobicContact CD2-CG 4.37Å
57M93.8Very high91.1Very high56 Ų5653.5 Ų53.528%0.27627%0.267SS..Hα-helixtrans-60.1-49.6174.4179.566.286.300111.3T53 W54 R55 V59 A60 C61 M82 L86T53-M57 PolarHBondContact O-N 2.94Å; W54-M57 WeakPolarHBondContact O-CB 3.48Å; W54-M57 PolarHBondContact O-N 3.31Å; R55-M57 VanDerWaalsContact C-N 3.35Å; M57-V59 VanDerWaalsContact C-N 3.3Å; M57-V59 PolarHBondContact O-N 2.91Å; M57-A60 PolarHBondContact O-N 3.35Å; M57-C61 WeakPolarHBondContact O-CB 3.28Å; M57-C61 PolarHBondContact O-N 3.36Å; M57-C61 PolarHBondContact O-SG 3.48Å; M57-M82 HydrophobicContact CB-CE 4.36Å; M57-M82 HydrophobicContact CB-SD 4.01Å; M57-M82 HydrophobicContact CE-CG 4.1Å; M57-M82 HydrophobicContact CE-SD 3.53Å; M57-M82 VanDerWaalsContact CE-SD 3.53Å; M57-M82 HydrophobicContact SD-SD 3.75Å; M57-L86 HydrophobicContact CE-CB 4.4Å; M57-L86 HydrophobicContact CE-CD1 4.4Å; M57-L86 HydrophobicContact SD-CB 4.3Å; M57-L86 HydrophobicContact SD-CD1 3.73Å; M57-L86 HydrophobicContact SD-CD2 3.78Å; M57-L86 HydrophobicContact SD-CG 4.14Å
58Q93.9Very high91.7Very high80 Ų8049.3 Ų49.337%0.37425%0.245SC..Hα-helixtrans-56.7-44.2177.7-71.1-176.8-32.100112.1W54 R55 C61 E62W54-Q58 HydrophobicContact CD2-CG 4.49Å; W54-Q58 HydrophobicContact CZ2-CG 4.26Å; W54-Q58 WeakPolarHBondContact O-CG 3.18Å; W54-Q58 PolarHBondContact O-N 2.96Å; R55-Q58 PolarHBondContact O-N 3.37Å; Q58-C61 PolarHBondContact O-N 2.87Å; Q58-E62 WeakPolarHBondContact O-CB 3.36Å; Q58-E62 PolarHBondContact O-N 2.87Å
59V94.7Very high92.1Very high5 Ų544.6 Ų44.63%0.0321%0.212CC..Hα-helixtrans-65-431791620000111.9I8 I43 L45 R55 L56 M57 E62 L63I8-V59 HydrophobicContact CD1-CG1 4.09Å; I8-V59 HydrophobicContact CG1-CG1 4.06Å; I8-V59 HydrophobicContact CG2-CG1 4.08Å; I43-V59 HydrophobicContact CB-CG1 3.78Å; I43-V59 HydrophobicContact CD1-CG1 3.85Å; I43-V59 HydrophobicContact CG1-CG1 4.39Å; I43-V59 HydrophobicContact CG2-CB 4.45Å; I43-V59 HydrophobicContact CG2-CG1 3.5Å; I43-V59 HydrophobicContact CG2-CG2 4.06Å; L45-V59 HydrophobicContact CD2-CG2 3.96Å; R55-V59 WeakPolarHBondContact O-CG2 3.24Å; R55-V59 PolarHBondContact O-N 3.48Å; L56-V59 PolarHBondContact O-N 2.87Å; M57-V59 VanDerWaalsContact C-N 3.3Å; M57-V59 PolarHBondContact O-N 2.91Å; V59-E62 PolarHBondContact O-N 2.92Å; V59-L63 PolarHBondContact O-N 3.39Å; V59-L63 VanDerWaalsContact O-N 3.16Å
60A95.8Very high92.6Very high0 Ų043.4 Ų43.40%021%0.206CC..Hα-helixtrans-62.6-44175.200000111.2I8 L56 M57 E62 L63 L64 L71 L83 L86I8-A60 HydrophobicContact CD1-CB 3.9Å; L56-A60 PolarHBondContact O-N 3.47Å; M57-A60 PolarHBondContact O-N 3.35Å; A60-E62 PolarHBondContact O-N 3.26Å; A60-L63 WeakPolarHBondContact O-CB 3.34Å; A60-L63 PolarHBondContact O-N 3.5Å; A60-L64 WeakPolarHBondContact O-CG 3.46Å; A60-L64 PolarHBondContact O-N 3.26Å; A60-L71 HydrophobicContact CB-CD1 4.25Å; A60-L83 HydrophobicContact CB-CD2 3.87Å; A60-L86 HydrophobicContact CB-CD2 3.48Å; A60-L86 VanDerWaalsContact CB-CD2 3.48Å
61C95.5Very high93.4Very high22 Ų2242.9 Ų42.915%0.14920%0.203CC..Hα-helixtrans-65.6-35.7178.1-69.40000113.6M57 Q58 L63 L64 K65 C327M57-C61 WeakPolarHBondContact O-CB 3.28Å; M57-C61 PolarHBondContact O-N 3.36Å; M57-C61 PolarHBondContact O-SG 3.48Å; Q58-C61 PolarHBondContact O-N 2.87Å; C61-L63 VanDerWaalsContact C-N 3.35Å; C61-L64 PolarHBondContact O-N 3.36Å; C61-K65 WeakPolarHBondContact O-CB 3.45Å; C61-K65 PolarHBondContact O-N 2.82Å; C61-C327 WeakPolarHBondContact CA-SG 3.32Å; C61-C327 HydrophobicContact CB-CB 3.74Å; C61-C327 WeakPolarHBondContact CB-SG 3.46Å; C61-C327 WeakPolarHBondContact SG-CB 3.39Å; C61-C327 CovalentContact SG-SG 2.03Å; C61-C327 PolarHBondContact SG-SG 3.41Å
62E94.8Very high94Very high77 Ų7737 Ų3736%0.3617%0.172SC..Hα-helixtrans-64.1-39.1172.9-178.653-143.500111.7Q58 V59 A60 K65 Q66Q58-E62 WeakPolarHBondContact O-CB 3.36Å; Q58-E62 PolarHBondContact O-N 2.87Å; V59-E62 PolarHBondContact O-N 2.92Å; A60-E62 PolarHBondContact O-N 3.26Å; E62-K65 PolarHBondContact O-N 3.41Å; E62-Q66 WeakPolarHBondContact O-CB 3.3Å; E62-Q66 VanDerWaalsContact O-CG 3.27Å; E62-Q66 WeakPolarHBondContact O-CG 3.37Å; E62-Q66 PolarHBondContact O-N 3.01Å; E62-Q66 VanDerWaalsContact O-N 3.08Å; E62-Q66 PolarHBondContact OE1-NE2 3.14Å
63L95.6Very high94.2Very high1 Ų133.6 Ų33.61%0.00515%0.154CC..Hα-helixtrans-64.4-41172.6-70.9170.1000112I8 R41 I43 V59 A60 C61 Q66 G67 V68 L71I8-L63 HydrophobicContact CD1-CD1 4.13Å; I8-L63 HydrophobicContact CG1-CD1 3.6Å; R41-L63 HydrophobicContact CB-CD2 4Å; I43-L63 HydrophobicContact CD1-CD1 4.23Å; I43-L63 HydrophobicContact CD1-CD2 3.74Å; I43-L63 HydrophobicContact CD1-CG 3.69Å; I43-L63 HydrophobicContact CG1-CD2 4.04Å; I43-L63 HydrophobicContact CG1-CG 4.33Å; V59-L63 PolarHBondContact O-N 3.39Å; V59-L63 VanDerWaalsContact O-N 3.16Å; A60-L63 WeakPolarHBondContact O-CB 3.34Å; A60-L63 PolarHBondContact O-N 3.5Å; C61-L63 VanDerWaalsContact C-N 3.35Å; L63-Q66 VanDerWaalsContact O-CB 3.31Å; L63-Q66 WeakPolarHBondContact O-CB 3.16Å; L63-Q66 PolarHBondContact O-N 3.15Å; L63-G67 PolarHBondContact O-N 2.99Å; L63-V68 HydrophobicContact CB-CG1 4.23Å; L63-V68 HydrophobicContact CB-CG2 3.95Å; L63-V68 HydrophobicContact CD2-CG1 4.39Å; L63-V68 WeakPolarHBondContact O-CG1 3.34Å; L63-V68 WeakPolarHBondContact O-CG2 3.07Å; L63-V68 PolarHBondContact O-N 2.93Å; L63-L71 HydrophobicContact CB-CD2 4.1Å; L63-L71 HydrophobicContact CD1-CD2 4.13Å
64L95.2Very high94.1Very high1 Ų132 Ų321%0.00514%0.141CC..Hα-helixtrans-64.9-41.3176.8-64.6-175.2000112A60 C61 Q66 G67 V68 L71 M90 V92 T325A60-L64 WeakPolarHBondContact O-CG 3.46Å; A60-L64 PolarHBondContact O-N 3.26Å; C61-L64 PolarHBondContact O-N 3.36Å; L64-Q66 PolarHBondContact O-N 2.74Å; L64-G67 WeakPolarHBondContact O-CA 3.32Å; L64-G67 PolarHBondContact O-N 3.21Å; L64-V68 HydrophobicContact CD2-CG2 3.83Å; L64-L71 HydrophobicContact CD2-CD1 4.32Å; L64-L71 HydrophobicContact CD2-CD2 4.28Å; L64-L71 HydrophobicContact CD2-CG 4.26Å; L64-M90 HydrophobicContact CD1-CB 4.08Å; L64-M90 HydrophobicContact CD1-CG 3.87Å; L64-V92 HydrophobicContact CD1-CG2 4.41Å; L64-V92 HydrophobicContact CD2-CB 4.21Å; L64-V92 HydrophobicContact CD2-CG1 3.9Å; L64-V92 HydrophobicContact CD2-CG2 3.71Å; L64-T325 CarbonylContact C-O 3.55Å; L64-T325 VanDerWaalsContact CB-O 3.26Å; L64-T325 WeakPolarHBondContact CB-O 3.37Å; L64-T325 PolarHBondContact O-N 2.75Å
65K93.1Very high93Very high85 Ų8524.9 Ų24.937%0.3712%0.115SC..Hα-helixtrans-57.8-36.1173.3172.3172.9172.3171.90111.5C61 E62 G67 T325 Y326C61-K65 WeakPolarHBondContact O-CB 3.45Å; C61-K65 PolarHBondContact O-N 2.82Å; E62-K65 PolarHBondContact O-N 3.41Å; K65-G67 PolarHBondContact O-N 3.43Å; K65-T325 PolarHBondContact N-O 2.96Å; K65-T325 VanDerWaalsContact N-O 3.08Å; K65-Y326 HydrophobicContact CB-CE2 4.44Å; K65-Y326 HydrophobicContact CD-CE1 3.85Å; K65-Y326 HydrophobicContact CD-CE2 4.32Å; K65-Y326 WeakPolarHBondContact CE-OH 3.34Å; K65-Y326 HydrophobicContact CG-CD2 4.49Å; K65-Y326 HydrophobicContact CG-CE1 4.24Å; K65-Y326 HydrophobicContact CG-CE2 3.84Å
66Q91.5Very high92.2Very high64 Ų6422 Ų2230%0.29911%0.107SC..THydrogen-bonded Turntrans-73.4-4.3175.1-77.7179.534.400115R41 E62 L63 L64R41-Q66 VanDerWaalsContact NH1-CB 3.26Å; R41-Q66 VanDerWaalsContact NH1-CG 3.34Å; E62-Q66 WeakPolarHBondContact O-CB 3.3Å; E62-Q66 VanDerWaalsContact O-CG 3.27Å; E62-Q66 WeakPolarHBondContact O-CG 3.37Å; E62-Q66 PolarHBondContact O-N 3.01Å; E62-Q66 VanDerWaalsContact O-N 3.08Å; E62-Q66 PolarHBondContact OE1-NE2 3.14Å; L63-Q66 VanDerWaalsContact O-CB 3.31Å; L63-Q66 WeakPolarHBondContact O-CB 3.16Å; L63-Q66 PolarHBondContact O-N 3.15Å; L64-Q66 PolarHBondContact O-N 2.74Å
67G91.6Very high91.5Very high2 Ų222.6 Ų22.62%0.02111%0.111CC..THydrogen-bonded Turntrans82.433.8174.900000114.2L63 L64 K65 F69L63-G67 PolarHBondContact O-N 2.99Å; L64-G67 WeakPolarHBondContact O-CA 3.32Å; L64-G67 PolarHBondContact O-N 3.21Å; K65-G67 PolarHBondContact O-N 3.43Å; G67-F69 WeakPolarHBondContact O-CD2 3.48Å
68V94.6Very high91Very high1 Ų124.7 Ų24.71%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-72.5144.2170.3-55.20000111.5F4 L63 L64 L71F4-V68 HydrophobicContact CB-CB 4.45Å; F4-V68 HydrophobicContact CB-CG1 4.06Å; F4-V68 CarbonylContact O-C 3.53Å; F4-V68 WeakPolarHBondContact O-CA 3.36Å; L63-V68 HydrophobicContact CB-CG1 4.23Å; L63-V68 HydrophobicContact CB-CG2 3.95Å; L63-V68 HydrophobicContact CD2-CG1 4.39Å; L63-V68 WeakPolarHBondContact O-CG1 3.34Å; L63-V68 WeakPolarHBondContact O-CG2 3.07Å; L63-V68 PolarHBondContact O-N 2.93Å; L64-V68 HydrophobicContact CD2-CG2 3.83Å; V68-L71 HydrophobicContact CG2-CD2 3.96Å
69F95.4Very high90.7Very high0 Ų021 Ų210%010%0.102CC..EExtended strand (participates in β ladder)trans-99.2-11.6-175.9-81.4-129.8000112.3L3 F4 G67 P93 F293 F308 F312 Y317 F343 F345 I349L3-F69 HydrophobicContact CD2-CD1 3.86Å; L3-F69 HydrophobicContact CD2-CD2 4.39Å; L3-F69 HydrophobicContact CD2-CE1 3.59Å; L3-F69 HydrophobicContact CD2-CE2 4.14Å; L3-F69 HydrophobicContact CD2-CG 4.3Å; L3-F69 HydrophobicContact CD2-CZ 3.76Å; F4-F69 PolarHBondContact O-N 2.92Å; G67-F69 WeakPolarHBondContact O-CD2 3.48Å; F69-P93 WeakPolarHBondContact O-CD 3.5Å; F69-F293 HydrophobicContact CB-CE2 4.4Å; F69-F293 HydrophobicContact CB-CZ 3.74Å; F69-F308 HydrophobicContact CD1-CE1 4.47Å; F69-F308 HydrophobicContact CE1-CD1 4.15Å; F69-F308 AromaticContact CE1-CE1 3.71Å; F69-F308 HydrophobicContact CE1-CE1 3.71Å; F69-F308 HydrophobicContact CE1-CZ 4.07Å; F69-F312 HydrophobicContact CE1-CZ 4.43Å; F69-F312 AromaticContact CE2-CZ 3.97Å; F69-F312 HydrophobicContact CE2-CZ 3.97Å; F69-F312 AromaticContact CZ-CE2 3.88Å; F69-F312 HydrophobicContact CZ-CE2 3.88Å; F69-F312 AromaticContact CZ-CZ 3.53Å; F69-F312 HydrophobicContact CZ-CZ 3.53Å; F69-Y317 AromaticContact CE2-CD1 3.88Å; F69-Y317 HydrophobicContact CE2-CD1 3.88Å; F69-Y317 AromaticContact CE2-CD2 3.89Å; F69-Y317 HydrophobicContact CE2-CD2 3.89Å; F69-Y317 HydrophobicContact CE2-CE1 4.42Å; F69-Y317 HydrophobicContact CE2-CE2 4.46Å; F69-Y317 AromaticContact CE2-CG 3.59Å; F69-Y317 HydrophobicContact CE2-CG 3.59Å; F69-Y317 HydrophobicContact CZ-CD1 4.32Å; F69-Y317 AromaticContact CZ-CD2 3.58Å; F69-Y317 HydrophobicContact CZ-CD2 3.58Å; F69-Y317 AromaticContact CZ-CE2 3.96Å; F69-Y317 HydrophobicContact CZ-CE2 3.96Å; F69-Y317 AromaticContact CZ-CG 3.82Å; F69-Y317 HydrophobicContact CZ-CG 3.82Å; F69-F343 HydrophobicContact CB-CZ 4.16Å; F69-F343 HydrophobicContact CD1-CE1 4.49Å; F69-F343 HydrophobicContact CD1-CE2 4.24Å; F69-F343 AromaticContact CD1-CZ 3.53Å; F69-F343 HydrophobicContact CD1-CZ 3.53Å; F69-F343 HydrophobicContact CD2-CZ 4.33Å; F69-F343 HydrophobicContact CE1-CE2 4.18Å; F69-F343 AromaticContact CE1-CZ 3.86Å; F69-F343 HydrophobicContact CE1-CZ 3.86Å; F69-F343 HydrophobicContact CE2-CE2 4.49Å; F69-F343 HydrophobicContact CG-CE2 4.37Å; F69-F343 AromaticContact CG-CZ 3.75Å; F69-F343 HydrophobicContact CG-CZ 3.75Å; F69-F343 HydrophobicContact CZ-CE2 4.29Å; F69-F343 HydrophobicContact CZ-CZ 4.37Å; F69-F345 HydrophobicContact CE1-CD2 4.41Å; F69-I349 HydrophobicContact CD1-CD1 3.81Å
70A96.8Very high90.3Very high0 Ų020.7 Ų20.70%010%0.101CC..EExtended strand (participates in β ladder)trans-152.3148172.300000110.1G6 P93 L95 F293G6-A70 PolarHBondContact N-O 2.76Å; A70-P93 CarbonylContact C-O 3.6Å; A70-P93 VanDerWaalsContact CA-O 3.3Å; A70-P93 WeakPolarHBondContact CA-O 3.49Å; A70-P93 HydrophobicContact CB-CB 4.18Å; A70-L95 HydrophobicContact CB-CD1 4.1Å; A70-F293 HydrophobicContact CB-CD2 3.56Å; A70-F293 HydrophobicContact CB-CE1 4.49Å; A70-F293 HydrophobicContact CB-CE2 3.39Å; A70-F293 HydrophobicContact CB-CG 4.23Å; A70-F293 HydrophobicContact CB-CZ 3.91Å
71L97Very high89.9Confident1 Ų125.1 Ų25.11%0.00512%0.124CC..EExtended strand (participates in β ladder)trans-100.6136.5167.5-64.7174.6000108.5G6 A60 L63 L64 V68 L86 V92 P93 F94 L95G6-L71 CarbonylContact O-C 3.54Å; G6-L71 WeakPolarHBondContact O-CA 3.49Å; A60-L71 HydrophobicContact CB-CD1 4.25Å; L63-L71 HydrophobicContact CB-CD2 4.1Å; L63-L71 HydrophobicContact CD1-CD2 4.13Å; L64-L71 HydrophobicContact CD2-CD1 4.32Å; L64-L71 HydrophobicContact CD2-CD2 4.28Å; L64-L71 HydrophobicContact CD2-CG 4.26Å; V68-L71 HydrophobicContact CG2-CD2 3.96Å; L71-L86 HydrophobicContact CD1-CD2 4.43Å; L71-V92 HydrophobicContact CG-CG1 4.22Å; L71-P93 PolarHBondContact N-O 3.27Å; L71-F94 HydrophobicContact CB-CD2 4.21Å; L71-F94 CarbonylContact O-C 3.55Å; L71-F94 VanDerWaalsContact O-CA 3.31Å; L71-F94 WeakPolarHBondContact O-CA 3.47Å; L71-L95 PolarHBondContact O-N 3.47Å
72I96.3Very high89.6Confident0 Ų025.2 Ų25.20%012%0.123CC..EExtended strand (participates in β ladder)trans-129.3123.7177.2-42.4-178000106.9G6 I7 I8 L95 W97 L286 A289 I290G6-I72 PolarHBondContact O-N 3.1Å; I7-I72 CarbonylContact C-O 3.6Å; I7-I72 VanDerWaalsContact CA-O 3.24Å; I7-I72 WeakPolarHBondContact CA-O 3.09Å; I7-I72 HydrophobicContact CG1-CB 4.18Å; I7-I72 HydrophobicContact CG1-CD1 4.37Å; I8-I72 PolarHBondContact N-O 3.31Å; I72-L95 WeakPolarHBondContact CA-O 3.42Å; I72-L95 HydrophobicContact CG1-CB 4.33Å; I72-L95 HydrophobicContact CG2-CB 4.09Å; I72-L95 WeakPolarHBondContact CG2-O 3.32Å; I72-W97 HydrophobicContact CB-CZ3 4.12Å; I72-W97 HydrophobicContact CG2-CE3 3.47Å; I72-W97 VanDerWaalsContact CG2-CE3 3.47Å; I72-W97 HydrophobicContact CG2-CZ3 3.4Å; I72-W97 VanDerWaalsContact CG2-CZ3 3.4Å; I72-L286 HydrophobicContact CG2-CD1 4.16Å; I72-A289 HydrophobicContact CG2-CB 4.05Å; I72-I290 HydrophobicContact CD1-CG1 3.94Å
73A94Very high89.6Confident1 Ų121.6 Ų21.61%0.00811%0.105CC..EExtended strand (participates in β ladder)trans-149.4157.6177.600000111.9I8 W79 L83 F94 L95 N96 W97I8-A73 HydrophobicContact CB-CB 4.12Å; I8-A73 WeakPolarHBondContact O-CA 3.25Å; I8-A73 WeakPolarHBondContact O-CB 3.3Å; A73-W79 HydrophobicContact CB-CE3 4.37Å; A73-W79 HydrophobicContact CB-CZ3 4.48Å; A73-L83 HydrophobicContact CB-CD1 3.65Å; A73-F94 HydrophobicContact CB-CE2 3.91Å; A73-F94 HydrophobicContact CB-CZ 4.49Å; A73-L95 PolarHBondContact N-O 3.3Å; A73-N96 WeakPolarHBondContact O-CA 3.41Å; A73-N96 PolarHBondContact O-OD1 3.26Å; A73-W97 VanDerWaalsContact C-CE3 3.4Å; A73-W97 VanDerWaalsContact N-CZ3 3.33Å; A73-W97 PolarHBondContact O-N 3.26Å
74K87.3Confident89.3Confident31 Ų3122.3 Ų22.314%0.13511%0.111CC..  trans-97.6107.7160.6-161.6-174.8171.6-160.90108Q13 W79 W97 A98 D200 E282Q13-K74 VanDerWaalsContact NE2-CB 3.32Å; K74-W79 VanDerWaalsContact O-CE3 3.27Å; K74-W97 HydrophobicContact CB-CD2 4.08Å; K74-W97 VanDerWaalsContact CB-CE2 3.49Å; K74-W97 HydrophobicContact CB-CG 4.39Å; K74-W97 HydrophobicContact CB-CH2 4.5Å; K74-W97 HydrophobicContact CB-CZ2 3.73Å; K74-A98 HydrophobicContact CG-CB 3.84Å; K74-D200 PolarHBondContact NZ-O 3.2Å; K74-E282 VanDerWaalsContact NZ-CD 3.34Å; K74-E282 IonicContact NZ-OE1 2.74Å; K74-E282 PolarHBondContact NZ-OE1 3.34Å; K74-E282 IonicContact NZ-OE2 3.31Å
75G69.3Low89.2Confident3 Ų324.4 Ų24.43%0.03113%0.128CC..  trans-105.3142.2175.700000112.3C80 A98G75-C80 PolarHBondContact O-SG 3.45Å; G75-C80 VanDerWaalsContact O-SG 3.34Å; G75-A98 WeakPolarHBondContact O-CB 3.44Å
76D75.8Confident89.2Confident31 Ų3121 Ų2117%0.16611%0.114CC..  trans-69.2-176.5150.953.728.2000109.6R10 Q78 W79 C80R10-D76 IonicContact CZ-OD2 3.15Å; R10-D76 IonicContact NH1-OD2 3.36Å; R10-D76 IonicContact NH2-OD1 3.17Å; R10-D76 IonicContact NH2-OD2 3.63Å; R10-D76 PolarHBondContact NH2-OD2 3.39Å; D76-Q78 PolarHBondContact O-N 3.44Å; D76-Q78 VanDerWaalsContact O-N 3.17Å; D76-Q78 PolarHBondContact OD1-N 2.91Å; D76-Q78 VanDerWaalsContact OD1-N 3.09Å; D76-W79 PolarHBondContact O-N 2.98Å; D76-W79 PolarHBondContact OD1-N 3.32Å; D76-C80 WeakPolarHBondContact O-CB 3.22Å; D76-C80 PolarHBondContact O-N 2.91Å; D76-C80 PolarHBondContact O-SG 3.19Å
77T80Confident89.4Confident14 Ų1418 Ų189%0.08610%0.1CC..Hα-helixtrans-48.2-42.3175-61.20000113.8C80 L81 P101 D140 Y143T77-C80 PolarHBondContact O-N 3.29Å; T77-L81 HydrophobicContact CG2-CD1 3.78Å; T77-L81 HydrophobicContact CG2-CG 4.27Å; T77-L81 WeakPolarHBondContact O-CB 3.26Å; T77-L81 WeakPolarHBondContact O-CG 3.42Å; T77-L81 PolarHBondContact O-N 3.17Å; T77-P101 HydrophobicContact CG2-CB 4.47Å; T77-P101 HydrophobicContact CG2-CG 4.02Å; T77-P101 WeakPolarHBondContact OG1-CG 2.94Å; T77-D140 WeakPolarHBondContact CB-OD1 3.49Å; T77-D140 PolarHBondContact N-OD1 3.42Å; T77-D140 PolarHBondContact OG1-OD1 3.07Å; T77-Y143 HydrophobicContact CG2-CE2 3.8Å; T77-Y143 VanDerWaalsContact OG1-CE2 3.31Å; T77-Y143 WeakPolarHBondContact OG1-CE2 3.24Å
78Q83Confident89.5Confident100 Ų10025.1 Ų25.147%0.46713%0.126SC..Hα-helixtrans-69.3-44.1-176.3-66.5-173.5-34.200111.8T53 D76 M82T53-Q78 HydrophobicContact CG2-CB 4.28Å; D76-Q78 PolarHBondContact O-N 3.44Å; D76-Q78 VanDerWaalsContact O-N 3.17Å; D76-Q78 PolarHBondContact OD1-N 2.91Å; D76-Q78 VanDerWaalsContact OD1-N 3.09Å; Q78-M82 PolarHBondContact O-N 3Å; Q78-M82 VanDerWaalsContact O-N 3.17Å
79W87.8Confident89.5Confident1 Ų130.4 Ų30.40%0.00415%0.151CC..Hα-helixtrans-63.6-45.1176-78.545.3000111.6I8 R10 L45 V50 L56 A73 K74 D76 M82 L83I8-W79 HydrophobicContact CG2-CH2 4.12Å; I8-W79 HydrophobicContact CG2-CZ3 3.86Å; R10-W79 HydrophobicContact CG-CH2 3.71Å; R10-W79 HydrophobicContact CG-CZ2 3.96Å; L45-W79 HydrophobicContact CB-CH2 4.41Å; L45-W79 HydrophobicContact CB-CZ2 4.5Å; L45-W79 HydrophobicContact CD1-CH2 3.58Å; L45-W79 HydrophobicContact CD1-CZ2 3.53Å; L45-W79 HydrophobicContact CD1-CZ3 4.49Å; L45-W79 HydrophobicContact CG-CH2 4.45Å; V50-W79 HydrophobicContact CG1-CZ2 4.16Å; V50-W79 PolarHBondContact O-NE1 2.71Å; L56-W79 HydrophobicContact CD1-CD2 3.85Å; L56-W79 HydrophobicContact CD1-CE3 3.8Å; L56-W79 HydrophobicContact CD1-CH2 4.08Å; L56-W79 HydrophobicContact CD1-CZ2 4.1Å; L56-W79 HydrophobicContact CD1-CZ3 3.92Å; L56-W79 HydrophobicContact CD2-CB 3.82Å; L56-W79 HydrophobicContact CD2-CD2 3.59Å; L56-W79 HydrophobicContact CD2-CE3 4.18Å; L56-W79 HydrophobicContact CD2-CG 3.4Å; L56-W79 VanDerWaalsContact CD2-CG 3.4Å; L56-W79 HydrophobicContact CG-CD2 4.38Å; A73-W79 HydrophobicContact CB-CE3 4.37Å; A73-W79 HydrophobicContact CB-CZ3 4.48Å; K74-W79 VanDerWaalsContact O-CE3 3.27Å; D76-W79 PolarHBondContact O-N 2.98Å; D76-W79 PolarHBondContact OD1-N 3.32Å; W79-M82 PolarHBondContact O-N 3.47Å; W79-L83 VanDerWaalsContact O-CB 3.3Å; W79-L83 WeakPolarHBondContact O-CB 3.26Å; W79-L83 WeakPolarHBondContact O-CG 3.38Å; W79-L83 PolarHBondContact O-N 3.15Å
80C85.8Confident89.5Confident0 Ų030.6 Ų30.60%015%0.152CC..Hα-helixtrans-62.4-47.1-179.4-66.30000111.2G75 D76 T77 M82 S84 N96G75-C80 PolarHBondContact O-SG 3.45Å; G75-C80 VanDerWaalsContact O-SG 3.34Å; D76-C80 WeakPolarHBondContact O-CB 3.22Å; D76-C80 PolarHBondContact O-N 2.91Å; D76-C80 PolarHBondContact O-SG 3.19Å; T77-C80 PolarHBondContact O-N 3.29Å; C80-M82 PolarHBondContact O-N 3.45Å; C80-S84 WeakPolarHBondContact O-CB 3.49Å; C80-S84 PolarHBondContact O-N 3.26Å; C80-N96 PolarHBondContact SG-ND2 3.16Å
81L86.5Confident89.5Confident93 Ų9332.7 Ų32.749%0.48716%0.162SC..Hα-helixtrans-59.9-45178.6-72.3172.2000112T77 A85 V102T77-L81 HydrophobicContact CG2-CD1 3.78Å; T77-L81 HydrophobicContact CG2-CG 4.27Å; T77-L81 WeakPolarHBondContact O-CB 3.26Å; T77-L81 WeakPolarHBondContact O-CG 3.42Å; T77-L81 PolarHBondContact O-N 3.17Å; L81-A85 VanDerWaalsContact O-CB 3.3Å; L81-A85 WeakPolarHBondContact O-CB 3.47Å; L81-A85 PolarHBondContact O-N 3.41Å; L81-A85 VanDerWaalsContact O-N 3.1Å; L81-V102 HydrophobicContact CD2-CG2 3.85Å
82M91.2Very high89.5Confident24 Ų2432.7 Ų32.712%0.11816%0.162CC..Hα-helixtrans-68.4-51.5179.8-170.8-71.1-68.600111.6L56 M57 Q78 W79 C80 S84 A85 L86L56-M82 HydrophobicContact CB-CE 3.76Å; L56-M82 HydrophobicContact CD2-CE 3.33Å; L56-M82 HydrophobicContact CG-CE 3.23Å; M57-M82 HydrophobicContact CB-CE 4.36Å; M57-M82 HydrophobicContact CB-SD 4.01Å; M57-M82 HydrophobicContact CE-CG 4.1Å; M57-M82 HydrophobicContact CE-SD 3.53Å; M57-M82 VanDerWaalsContact CE-SD 3.53Å; M57-M82 HydrophobicContact SD-SD 3.75Å; Q78-M82 PolarHBondContact O-N 3Å; Q78-M82 VanDerWaalsContact O-N 3.17Å; W79-M82 PolarHBondContact O-N 3.47Å; C80-M82 PolarHBondContact O-N 3.45Å; M82-S84 PolarHBondContact O-N 3.12Å; M82-A85 PolarHBondContact O-N 3.42Å; M82-L86 PolarHBondContact O-N 2.89Å; M82-L86 HydrophobicContact SD-CB 4.34Å
83L93.1Very high89.5Confident0 Ų032.7 Ų32.70%016%0.162CC..Hα-helixtrans-67.2-35.1-177.5-70.3174.7000112.3I8 L56 A60 A73 W79 L86 S87 F94I8-L83 HydrophobicContact CD1-CD2 4.22Å; L56-L83 HydrophobicContact CD2-CG 4.37Å; A60-L83 HydrophobicContact CB-CD2 3.87Å; A73-L83 HydrophobicContact CB-CD1 3.65Å; W79-L83 VanDerWaalsContact O-CB 3.3Å; W79-L83 WeakPolarHBondContact O-CB 3.26Å; W79-L83 WeakPolarHBondContact O-CG 3.38Å; W79-L83 PolarHBondContact O-N 3.15Å; L83-L86 PolarHBondContact O-N 3.1Å; L83-S87 WeakPolarHBondContact O-CA 3.2Å; L83-S87 WeakPolarHBondContact O-CB 3.17Å; L83-S87 PolarHBondContact O-N 3.21Å; L83-F94 HydrophobicContact CB-CD1 4.13Å; L83-F94 HydrophobicContact CB-CD2 4.34Å; L83-F94 HydrophobicContact CB-CE1 3.82Å; L83-F94 HydrophobicContact CB-CE2 4.06Å; L83-F94 HydrophobicContact CB-CG 4.4Å; L83-F94 HydrophobicContact CB-CZ 3.79Å; L83-F94 HydrophobicContact CD1-CD2 4.49Å; L83-F94 HydrophobicContact CD1-CE2 3.68Å; L83-F94 HydrophobicContact CD1-CZ 3.73Å; L83-F94 HydrophobicContact CG-CE2 4.48Å; L83-F94 HydrophobicContact CG-CZ 4.43Å
84S90.6Very high89.6Confident17 Ų1732.7 Ų32.712%0.11916%0.161CC..Hα-helixtrans-66.6-41.6174.1-168.80000111.2C80 M82 S87 R88 E109C80-S84 WeakPolarHBondContact O-CB 3.49Å; C80-S84 PolarHBondContact O-N 3.26Å; M82-S84 PolarHBondContact O-N 3.12Å; S84-S87 PolarHBondContact O-N 3.41Å; S84-R88 WeakPolarHBondContact O-CB 3.33Å; S84-R88 PolarHBondContact O-N 2.93Å; S84-E109 VanDerWaalsContact CB-OE2 3.3Å; S84-E109 WeakPolarHBondContact CB-OE2 3.44Å; S84-E109 PolarHBondContact OG-OE2 3.24Å
85A91.9Very high90Very high45 Ų4531.2 Ų31.237%0.37216%0.155SC..Hα-helixtrans-62.9-46.4173.900000112.1L81 M82 R88 E89L81-A85 VanDerWaalsContact O-CB 3.3Å; L81-A85 WeakPolarHBondContact O-CB 3.47Å; L81-A85 PolarHBondContact O-N 3.41Å; L81-A85 VanDerWaalsContact O-N 3.1Å; M82-A85 PolarHBondContact O-N 3.42Å; A85-R88 PolarHBondContact O-N 2.92Å; A85-E89 PolarHBondContact O-N 3.39Å
86L94.3Very high91Very high12 Ų1231 Ų316%0.06315%0.153CC..Hα-helixtrans-63.2-45.3176.4178.664.8000111.8M57 A60 L71 M82 L83 R88 E89 M90M57-L86 HydrophobicContact CE-CB 4.4Å; M57-L86 HydrophobicContact CE-CD1 4.4Å; M57-L86 HydrophobicContact SD-CB 4.3Å; M57-L86 HydrophobicContact SD-CD1 3.73Å; M57-L86 HydrophobicContact SD-CD2 3.78Å; M57-L86 HydrophobicContact SD-CG 4.14Å; A60-L86 HydrophobicContact CB-CD2 3.48Å; A60-L86 VanDerWaalsContact CB-CD2 3.48Å; L71-L86 HydrophobicContact CD1-CD2 4.43Å; M82-L86 PolarHBondContact O-N 2.89Å; M82-L86 HydrophobicContact SD-CB 4.34Å; L83-L86 PolarHBondContact O-N 3.1Å; L86-R88 VanDerWaalsContact C-N 3.29Å; L86-R88 PolarHBondContact O-N 3.41Å; L86-E89 PolarHBondContact O-N 2.88Å; L86-M90 HydrophobicContact CD1-CG 3.54Å; L86-M90 HydrophobicContact CG-CG 4.16Å; L86-M90 WeakPolarHBondContact O-CB 3.15Å; L86-M90 WeakPolarHBondContact O-CG 3.43Å; L86-M90 PolarHBondContact O-N 3.48Å
87S94.5Very high91.7Very high1 Ų129.7 Ų29.71%0.00715%0.146CC..Hα-helixtrans-57.9-41.9178.1169.70000111.6L83 S84 H91 V92 F94 F108L83-S87 WeakPolarHBondContact O-CA 3.2Å; L83-S87 WeakPolarHBondContact O-CB 3.17Å; L83-S87 PolarHBondContact O-N 3.21Å; S84-S87 PolarHBondContact O-N 3.41Å; S87-H91 CarbonylContact O-C 3.42Å; S87-H91 VanDerWaalsContact O-CA 3.28Å; S87-H91 WeakPolarHBondContact O-CA 3.34Å; S87-H91 PolarHBondContact O-N 3.43Å; S87-V92 WeakPolarHBondContact CB-O 3.18Å; S87-V92 PolarHBondContact O-N 3.15Å; S87-V92 PolarHBondContact OG-O 3.5Å; S87-F94 WeakPolarHBondContact OG-CB 3.32Å; S87-F108 WeakPolarHBondContact OG-CB 3.33Å
88R94.3Very high91.8Very high152 Ų15229.3 Ų29.357%0.57414%0.144SC*.Hα-helixtrans-65.2-45174.9-174.7178.466-177.6-0.4112.4S84 A85 L86 H91S84-R88 WeakPolarHBondContact O-CB 3.33Å; S84-R88 PolarHBondContact O-N 2.93Å; A85-R88 PolarHBondContact O-N 2.92Å; L86-R88 VanDerWaalsContact C-N 3.29Å; L86-R88 PolarHBondContact O-N 3.41Å; R88-H91 PolarHBondContact O-CD2 3.4Å; R88-H91 VanDerWaalsContact O-CD2 3.26Å
89E94.6Very high91.4Very high113 Ų11326.6 Ų26.653%0.52813%0.133SC..Hα-helixtrans-69.7-41.3-178.7-166.359.2-149.100112A85 L86 H91 F340A85-E89 PolarHBondContact O-N 3.39Å; L86-E89 PolarHBondContact O-N 2.88Å; E89-H91 VanDerWaalsContact C-N 3.34Å; E89-F340 HydrophobicContact CG-CZ 4.11Å
90M95.5Very high90.6Very high3 Ų326.7 Ų26.72%0.01513%0.134CC..Hα-helixtrans-87-3.9-177.7-59.3-52.6-62.800113.3L64 L86 V92 T325 Y326 F340 F343L64-M90 HydrophobicContact CD1-CB 4.08Å; L64-M90 HydrophobicContact CD1-CG 3.87Å; L86-M90 HydrophobicContact CD1-CG 3.54Å; L86-M90 HydrophobicContact CG-CG 4.16Å; L86-M90 WeakPolarHBondContact O-CB 3.15Å; L86-M90 WeakPolarHBondContact O-CG 3.43Å; L86-M90 PolarHBondContact O-N 3.48Å; M90-V92 VanDerWaalsContact C-N 3.27Å; M90-V92 HydrophobicContact CB-CG2 3.95Å; M90-V92 PolarHBondContact O-N 3.45Å; M90-T325 HydrophobicContact CE-CG2 3.43Å; M90-T325 VanDerWaalsContact CE-CG2 3.43Å; M90-Y326 VanDerWaalsContact CE-O 3.28Å; M90-Y326 WeakPolarHBondContact CE-O 3.42Å; M90-F340 HydrophobicContact CE-CE2 4.15Å; M90-F340 HydrophobicContact SD-CE2 3.61Å; M90-F340 HydrophobicContact SD-CZ 3.82Å; M90-F343 VanDerWaalsContact O-CB 3.31Å; M90-F343 WeakPolarHBondContact O-CB 3.33Å; M90-F343 PolarHBondContact O-N 3.05Å
91H96.8Very high89.7Confident45 Ų4527.1 Ų27.121%0.20814%0.137CC..THydrogen-bonded Turntrans51.540.9-170.3-61.5166.4000113.1S87 R88 E89 F108 P342 F343 G346S87-H91 CarbonylContact O-C 3.42Å; S87-H91 VanDerWaalsContact O-CA 3.28Å; S87-H91 WeakPolarHBondContact O-CA 3.34Å; S87-H91 PolarHBondContact O-N 3.43Å; R88-H91 PolarHBondContact O-CD2 3.4Å; R88-H91 VanDerWaalsContact O-CD2 3.26Å; E89-H91 VanDerWaalsContact C-N 3.34Å; H91-F108 HydrophobicContact CB-CD1 4.37Å; H91-F108 HydrophobicContact CB-CE1 3.61Å; H91-F108 HydrophobicContact CB-CE2 4.25Å; H91-F108 HydrophobicContact CB-CZ 3.54Å; H91-F108 AromaticContact CD2-CE2 3.43Å; H91-F108 VanDerWaalsContact CD2-CE2 3.43Å; H91-F108 WeakPolarHBondContact CD2-CE2 3.35Å; H91-F108 AromaticContact CD2-CZ 3.3Å; H91-F108 WeakPolarHBondContact CD2-CZ 3.37Å; H91-F108 AromaticContact CG-CZ 3.51Å; H91-P342 HydrophobicContact CB-CB 4.12Å; H91-F343 WeakPolarHBondContact O-CD1 3.38Å; H91-G346 WeakPolarHBondContact O-CA 3.44Å
92V96.3Very high88.9Confident1 Ų124.8 Ų24.81%0.00613%0.126CC..  trans-107.8126.3-178.61770000109.8L64 L71 S87 M90 F94 F343L64-V92 HydrophobicContact CD1-CG2 4.41Å; L64-V92 HydrophobicContact CD2-CB 4.21Å; L64-V92 HydrophobicContact CD2-CG1 3.9Å; L64-V92 HydrophobicContact CD2-CG2 3.71Å; L71-V92 HydrophobicContact CG-CG1 4.22Å; S87-V92 WeakPolarHBondContact CB-O 3.18Å; S87-V92 PolarHBondContact O-N 3.15Å; S87-V92 PolarHBondContact OG-O 3.5Å; M90-V92 VanDerWaalsContact C-N 3.27Å; M90-V92 HydrophobicContact CB-CG2 3.95Å; M90-V92 PolarHBondContact O-N 3.45Å; V92-F94 PolarHBondContact O-N 3.07Å; V92-F343 HydrophobicContact CG2-CB 3.68Å; V92-F343 HydrophobicContact CG2-CD1 4.08Å; V92-F343 HydrophobicContact CG2-CG 4.16Å
93P96.9Very high87.7Confident0 Ų026.5 Ų26.50%014%0.136CC..  trans-52.1127.2174.7-19.724.2000111.9F69 A70 L71 L95 F108 I349 T350 I353F69-P93 WeakPolarHBondContact O-CD 3.5Å; A70-P93 CarbonylContact C-O 3.6Å; A70-P93 VanDerWaalsContact CA-O 3.3Å; A70-P93 WeakPolarHBondContact CA-O 3.49Å; A70-P93 HydrophobicContact CB-CB 4.18Å; L71-P93 PolarHBondContact N-O 3.27Å; P93-L95 HydrophobicContact CB-CD1 4.33Å; P93-F108 WeakPolarHBondContact CA-O 3.19Å; P93-I349 HydrophobicContact CG-CB 4.07Å; P93-I349 HydrophobicContact CG-CG2 3.63Å; P93-T350 WeakPolarHBondContact CG-OG1 3.34Å; P93-I353 HydrophobicContact CB-CD1 4.24Å
94F95.5Very high87Confident0 Ų033 Ų330%017%0.17CC..EExtended strand (participates in β ladder)trans-115.5110.4175.9172.2-131.8000110.1L71 A73 L83 S87 V92 N96 F108 E109 I110L71-F94 HydrophobicContact CB-CD2 4.21Å; L71-F94 CarbonylContact O-C 3.55Å; L71-F94 VanDerWaalsContact O-CA 3.31Å; L71-F94 WeakPolarHBondContact O-CA 3.47Å; A73-F94 HydrophobicContact CB-CE2 3.91Å; A73-F94 HydrophobicContact CB-CZ 4.49Å; L83-F94 HydrophobicContact CB-CD1 4.13Å; L83-F94 HydrophobicContact CB-CD2 4.34Å; L83-F94 HydrophobicContact CB-CE1 3.82Å; L83-F94 HydrophobicContact CB-CE2 4.06Å; L83-F94 HydrophobicContact CB-CG 4.4Å; L83-F94 HydrophobicContact CB-CZ 3.79Å; L83-F94 HydrophobicContact CD1-CD2 4.49Å; L83-F94 HydrophobicContact CD1-CE2 3.68Å; L83-F94 HydrophobicContact CD1-CZ 3.73Å; L83-F94 HydrophobicContact CG-CE2 4.48Å; L83-F94 HydrophobicContact CG-CZ 4.43Å; S87-F94 WeakPolarHBondContact OG-CB 3.32Å; V92-F94 PolarHBondContact O-N 3.07Å; F94-N96 HydrophobicContact CE1-CB 3.94Å; F94-N96 HydrophobicContact CE2-CB 4.46Å; F94-N96 HydrophobicContact CZ-CB 3.82Å; F94-F108 PolarHBondContact N-O 3.19Å; F94-E109 HydrophobicContact CD1-CB 4.39Å; F94-E109 HydrophobicContact CD1-CG 3.85Å; F94-E109 HydrophobicContact CE1-CG 4.31Å; F94-E109 CarbonylContact O-C 3.55Å; F94-E109 WeakPolarHBondContact O-CA 3.31Å; F94-I110 PolarHBondContact O-N 3.36Å
95L95.7Very high86.6Confident0 Ų033.1 Ų33.10%017%0.17CC..EExtended strand (participates in β ladder)trans-96.3108176.9-69.980.4000109.1A70 L71 I72 A73 P93 I110 M112 A289 A292 F293 I353A70-L95 HydrophobicContact CB-CD1 4.1Å; L71-L95 PolarHBondContact O-N 3.47Å; I72-L95 WeakPolarHBondContact CA-O 3.42Å; I72-L95 HydrophobicContact CG1-CB 4.33Å; I72-L95 HydrophobicContact CG2-CB 4.09Å; I72-L95 WeakPolarHBondContact CG2-O 3.32Å; A73-L95 PolarHBondContact N-O 3.3Å; P93-L95 HydrophobicContact CB-CD1 4.33Å; L95-I110 CarbonylContact C-O 3.56Å; L95-I110 WeakPolarHBondContact CA-O 3.18Å; L95-I110 HydrophobicContact CG-CB 4.35Å; L95-M112 HydrophobicContact CB-CG 4.49Å; L95-M112 HydrophobicContact CD2-SD 4.22Å; L95-A289 HydrophobicContact CD2-CB 4.26Å; L95-A289 WeakPolarHBondContact CD2-O 2.84Å; L95-A292 HydrophobicContact CD2-CB 4.47Å; L95-F293 HydrophobicContact CD2-CB 4.18Å; L95-I353 HydrophobicContact CD1-CD1 4.38Å
96N91.5Very high86.3Confident0 Ų031.7 Ų31.70%016%0.159CC..EExtended strand (participates in β ladder)trans-93.8126.2178.4-176.211.3000110A73 C80 F94 A98 I110 M112A73-N96 WeakPolarHBondContact O-CA 3.41Å; A73-N96 PolarHBondContact O-OD1 3.26Å; C80-N96 PolarHBondContact SG-ND2 3.16Å; F94-N96 HydrophobicContact CE1-CB 3.94Å; F94-N96 HydrophobicContact CE2-CB 4.46Å; F94-N96 HydrophobicContact CZ-CB 3.82Å; N96-A98 WeakPolarHBondContact OD1-CB 3.04Å; N96-A98 PolarHBondContact OD1-N 3.41Å; N96-I110 PolarHBondContact N-O 3.43Å; N96-M112 WeakPolarHBondContact O-CB 3.4Å; N96-M112 PolarHBondContact O-N 3.22Å
97W90.3Very high86.1Confident2 Ų235.7 Ų35.71%0.00818%0.178CC..  trans-103.417.2173.177.883.6000114.4I7 V16 I72 A73 K74 M112 L286I7-W97 HydrophobicContact CG2-CH2 3.71Å; I7-W97 HydrophobicContact CG2-CZ3 4.05Å; V16-W97 HydrophobicContact CG2-CZ2 4.49Å; I72-W97 HydrophobicContact CB-CZ3 4.12Å; I72-W97 HydrophobicContact CG2-CE3 3.47Å; I72-W97 VanDerWaalsContact CG2-CE3 3.47Å; I72-W97 HydrophobicContact CG2-CZ3 3.4Å; I72-W97 VanDerWaalsContact CG2-CZ3 3.4Å; A73-W97 VanDerWaalsContact C-CE3 3.4Å; A73-W97 VanDerWaalsContact N-CZ3 3.33Å; A73-W97 PolarHBondContact O-N 3.26Å; K74-W97 HydrophobicContact CB-CD2 4.08Å; K74-W97 VanDerWaalsContact CB-CE2 3.49Å; K74-W97 HydrophobicContact CB-CG 4.39Å; K74-W97 HydrophobicContact CB-CH2 4.5Å; K74-W97 HydrophobicContact CB-CZ2 3.73Å; W97-M112 HydrophobicContact CB-CB 4.19Å; W97-L286 HydrophobicContact CD2-CB 4.36Å; W97-L286 HydrophobicContact CD2-CD1 4.1Å; W97-L286 HydrophobicContact CE3-CD1 3.65Å; W97-L286 HydrophobicContact CH2-CD1 3.8Å; W97-L286 HydrophobicContact CH2-CD2 4.48Å; W97-L286 HydrophobicContact CZ2-CD1 4.21Å; W97-L286 HydrophobicContact CZ2-CD2 4.38Å; W97-L286 HydrophobicContact CZ3-CD1 3.46Å; W97-L286 VanDerWaalsContact CZ3-CD1 3.46Å
98A81.5Confident86.1Confident7 Ų735.7 Ų35.76%0.05818%0.178CC..SBendtrans-97.2165.8161.600000111K74 G75 N96 S100K74-A98 HydrophobicContact CG-CB 3.84Å; G75-A98 WeakPolarHBondContact O-CB 3.44Å; N96-A98 WeakPolarHBondContact OD1-CB 3.04Å; N96-A98 PolarHBondContact OD1-N 3.41Å; A98-S100 PolarHBondContact O-N 3.01Å
99D74.6Confident86Confident42 Ų4228.6 Ų28.623%0.22515%0.151CC..PPolyproline II helixtrans-68.8122.1166-169.614.6000108.5P101 M113D99-P101 WeakPolarHBondContact O-CD 3.28Å; D99-M113 HydrophobicContact CB-SD 4.25Å
100S71.2Confident86Confident3 Ų323.2 Ų23.22%0.02113%0.126CC..PPolyproline II helixtrans-76.2123.1-175.6-170.20000109.7A98 V102 L105 E109A98-S100 PolarHBondContact O-N 3.01Å; S100-V102 PolarHBondContact O-N 2.83Å; S100-L105 VanDerWaalsContact CB-CD2 3.48Å; S100-L105 WeakPolarHBondContact OG-CD2 2.96Å; S100-E109 PolarHBondContact OG-OE1 3.11Å
101P66.4Low85.8Confident10 Ų1023.3 Ų23.37%0.06513%0.127CC..  trans-75.3-7.3-177.526.1-27.3000112.8T77 D99 Y143T77-P101 HydrophobicContact CG2-CB 4.47Å; T77-P101 HydrophobicContact CG2-CG 4.02Å; T77-P101 WeakPolarHBondContact OG1-CG 2.94Å; D99-P101 WeakPolarHBondContact O-CD 3.28Å; P101-Y143 HydrophobicContact CB-CD1 4.09Å; P101-Y143 HydrophobicContact CB-CD2 3.62Å; P101-Y143 HydrophobicContact CB-CE2 4.11Å; P101-Y143 HydrophobicContact CB-CG 3.6Å; P101-Y143 VanDerWaalsContact O-CD1 3.28Å; P101-Y143 WeakPolarHBondContact O-CD1 3.24Å
102V69.5Low85.6Confident44 Ų4421.2 Ų21.227%0.26712%0.117SC..  trans-96.7130.4-174.5-165.80000110.1L81 S100 N104 R372L81-V102 HydrophobicContact CD2-CG2 3.85Å; S100-V102 PolarHBondContact O-N 2.83Å; V102-N104 VanDerWaalsContact C-N 3.26Å; V102-N104 VanDerWaalsContact CG1-O 3.28Å; V102-N104 WeakPolarHBondContact CG1-O 3.34Å; V102-N104 PolarHBondContact O-N 2.95Å; V102-R372 PolarHBondContact O-NH2 3.26Å
103D67.1Low85.1Confident59 Ų5922.5 Ų22.532%0.31612%0.123SC..SBendtrans-57.5-40.6178.4-69.2-41.9000112.9R150 R372D103-R150 IonicContact OD1-CZ 2.75Å; D103-R150 IonicContact OD1-NH1 3.18Å; D103-R150 PolarHBondContact OD1-NH1 3.1Å; D103-R150 IonicContact OD1-NH2 3.5Å; D103-R150 IonicContact OD2-CZ 2.78Å; D103-R150 IonicContact OD2-NH1 3.93Å; D103-R150 PolarHBondContact OD2-NH1 2.93Å; D103-R150 IonicContact OD2-NH2 3.61Å; D103-R150 PolarHBondContact OD2-NH2 2.99Å; D103-R372 VanDerWaalsContact O-CZ 3.24Å; D103-R372 PolarHBondContact O-NH2 3.19Å
104N77.1Confident84.5Confident136 Ų13622.6 Ų22.673%0.72712%0.124SC*.SBendtrans-111.5109.7178-65.1-28.6000108.2V102V102-N104 VanDerWaalsContact C-N 3.26Å; V102-N104 VanDerWaalsContact CG1-O 3.28Å; V102-N104 WeakPolarHBondContact CG1-O 3.34Å; V102-N104 PolarHBondContact O-N 2.95Å
105L83.8Confident84Confident20 Ų2024 Ų2411%0.10513%0.134CC..  trans-59.1146.7168.5-65.6-178.3000109.7S100 E109 G371 R372S100-L105 VanDerWaalsContact CB-CD2 3.48Å; S100-L105 WeakPolarHBondContact OG-CD2 2.96Å; L105-E109 HydrophobicContact CB-CB 4.23Å; L105-E109 HydrophobicContact CB-CG 4.4Å; L105-E109 VanDerWaalsContact CD2-CD 3.49Å; L105-E109 HydrophobicContact CD2-CG 3.96Å; L105-E109 VanDerWaalsContact CD2-OE1 3.32Å; L105-E109 WeakPolarHBondContact CD2-OE1 3.48Å; L105-G371 VanDerWaalsContact CD1-C 3.42Å; L105-R372 HydrophobicContact CD1-CB 4.21Å; L105-R372 HydrophobicContact CD1-CG 3.35Å; L105-R372 HydrophobicContact CG-CG 3.86Å
106G84Confident83.7Confident15 Ų1524.4 Ų24.416%0.15514%0.136CC..  trans-58.6154.1169.100000111.6F108 E109G106-F108 PolarHBondContact O-N 3.01Å; G106-E109 PolarHBondContact N-OE2 2.72Å; G106-E109 VanDerWaalsContact N-OE2 3.15Å; G106-E109 WeakPolarHBondContact O-CB 3.45Å; G106-E109 PolarHBondContact O-N 2.94Å
107E90.9Very high83.6Confident96 Ų9624.8 Ų24.845%0.44914%0.139SC..THydrogen-bonded Turntrans-51.1-36.9-179.4-178.6-178.5173.400112.6R347 K354E107-R347 IonicContact OE1-CZ 2.77Å; E107-R347 IonicContact OE1-NH1 3.36Å; E107-R347 PolarHBondContact OE1-NH1 3.22Å; E107-K354 PolarHBondContact O-NZ 3.48Å
108F94.5Very high83.5Confident2 Ų225.7 Ų25.71%0.00915%0.145CC..THydrogen-bonded Turntrans-98.70.9-177.9-61.9-92.3000114S87 H91 P93 F94 G106 R347 T350S87-F108 WeakPolarHBondContact OG-CB 3.33Å; H91-F108 HydrophobicContact CB-CD1 4.37Å; H91-F108 HydrophobicContact CB-CE1 3.61Å; H91-F108 HydrophobicContact CB-CE2 4.25Å; H91-F108 HydrophobicContact CB-CZ 3.54Å; H91-F108 AromaticContact CD2-CE2 3.43Å; H91-F108 VanDerWaalsContact CD2-CE2 3.43Å; H91-F108 WeakPolarHBondContact CD2-CE2 3.35Å; H91-F108 AromaticContact CD2-CZ 3.3Å; H91-F108 WeakPolarHBondContact CD2-CZ 3.37Å; H91-F108 AromaticContact CG-CZ 3.51Å; P93-F108 WeakPolarHBondContact CA-O 3.19Å; F94-F108 PolarHBondContact N-O 3.19Å; G106-F108 PolarHBondContact O-N 3.01Å; F108-R347 HydrophobicContact CE1-CB 4.39Å; F108-R347 HydrophobicContact CE1-CG 3.65Å; F108-R347 HydrophobicContact CZ-CG 3.56Å; F108-T350 WeakPolarHBondContact CD1-OG1 3.44Å
109E93.1Very high84Confident2 Ų225.3 Ų25.31%0.00914%0.142CC..EExtended strand (participates in β ladder)trans-89.4138.6179.8-174.8-180172.100111S84 F94 S100 L105 G106S84-E109 VanDerWaalsContact CB-OE2 3.3Å; S84-E109 WeakPolarHBondContact CB-OE2 3.44Å; S84-E109 PolarHBondContact OG-OE2 3.24Å; F94-E109 HydrophobicContact CD1-CB 4.39Å; F94-E109 HydrophobicContact CD1-CG 3.85Å; F94-E109 HydrophobicContact CE1-CG 4.31Å; F94-E109 CarbonylContact O-C 3.55Å; F94-E109 WeakPolarHBondContact O-CA 3.31Å; S100-E109 PolarHBondContact OG-OE1 3.11Å; L105-E109 HydrophobicContact CB-CB 4.23Å; L105-E109 HydrophobicContact CB-CG 4.4Å; L105-E109 VanDerWaalsContact CD2-CD 3.49Å; L105-E109 HydrophobicContact CD2-CG 3.96Å; L105-E109 VanDerWaalsContact CD2-OE1 3.32Å; L105-E109 WeakPolarHBondContact CD2-OE1 3.48Å; G106-E109 PolarHBondContact N-OE2 2.72Å; G106-E109 VanDerWaalsContact N-OE2 3.15Å; G106-E109 WeakPolarHBondContact O-CB 3.45Å; G106-E109 PolarHBondContact O-N 2.94Å
110I93.7Very high84.9Confident0 Ų023.4 Ų23.40%013%0.132CC..EExtended strand (participates in β ladder)trans-131.8120.3177.5-64.1162.8000107.8F94 L95 N96 M112 T350 I353 K354 F367 G371F94-I110 PolarHBondContact O-N 3.36Å; L95-I110 CarbonylContact C-O 3.56Å; L95-I110 WeakPolarHBondContact CA-O 3.18Å; L95-I110 HydrophobicContact CG-CB 4.35Å; N96-I110 PolarHBondContact N-O 3.43Å; I110-M112 HydrophobicContact CG2-SD 4.25Å; I110-T350 HydrophobicContact CD1-CG2 4.36Å; I110-I353 HydrophobicContact CD1-CB 3.71Å; I110-I353 HydrophobicContact CD1-CD1 4.16Å; I110-I353 HydrophobicContact CD1-CG2 3.53Å; I110-K354 HydrophobicContact CD1-CG 4.34Å; I110-K354 HydrophobicContact CG1-CG 4.22Å; I110-F367 HydrophobicContact CG2-CD1 3.76Å; I110-F367 HydrophobicContact CG2-CE1 3.43Å; I110-F367 VanDerWaalsContact CG2-CE1 3.43Å; I110-F367 HydrophobicContact CG2-CE2 4.43Å; I110-F367 HydrophobicContact CG2-CG 4.4Å; I110-F367 HydrophobicContact CG2-CZ 3.81Å; I110-G371 WeakPolarHBondContact CA-O 3.36Å
111S91.8Very high85.8Confident6 Ų623.5 Ų23.54%0.04213%0.133CC..EExtended strand (participates in β ladder)trans-93.1120.1179.6-174.90000110.3M113 G371 R373S111-M113 PolarHBondContact OG-O 3.24Å; S111-G371 PolarHBondContact N-O 3.08Å; S111-R373 VanDerWaalsContact O-CB 3.3Å; S111-R373 WeakPolarHBondContact O-CB 3.37Å; S111-R373 PolarHBondContact O-N 3.41Å
112M91.9Very high87Confident0 Ų023.9 Ų23.90%014%0.139CC..  trans-89.9-25-178.3-61.7-63.4-46.400113.3L95 N96 W97 I110 Y285 D288 A289 A292 V365 F367 R373L95-M112 HydrophobicContact CB-CG 4.49Å; L95-M112 HydrophobicContact CD2-SD 4.22Å; N96-M112 WeakPolarHBondContact O-CB 3.4Å; N96-M112 PolarHBondContact O-N 3.22Å; W97-M112 HydrophobicContact CB-CB 4.19Å; I110-M112 HydrophobicContact CG2-SD 4.25Å; M112-Y285 WeakPolarHBondContact O-CD1 3.41Å; M112-D288 HydrophobicContact CE-CB 4.2Å; M112-A289 HydrophobicContact CE-CB 4.25Å; M112-A289 HydrophobicContact CG-CB 3.7Å; M112-A289 HydrophobicContact SD-CB 4.14Å; M112-A292 HydrophobicContact CE-CB 4.19Å; M112-A292 HydrophobicContact SD-CB 4.3Å; M112-V365 HydrophobicContact CE-CG1 3.98Å; M112-F367 HydrophobicContact CE-CE1 4.46Å; M112-F367 HydrophobicContact CE-CZ 3.99Å; M112-F367 HydrophobicContact SD-CE1 3.82Å; M112-F367 HydrophobicContact SD-CZ 3.57Å; M112-F367 VanDerWaalsContact SD-CZ 3.57Å; M112-R373 WeakPolarHBondContact O-CD 3.43Å; M112-R373 PolarHBondContact O-NH1 3.48Å
113M86.6Confident88Confident28 Ų2821.8 Ų21.814%0.13813%0.126CC..SBendtrans-84.2140.5174.7-170.9167.9176.800109.5D99 S111 L202D99-M113 HydrophobicContact CB-SD 4.25Å; S111-M113 PolarHBondContact OG-O 3.24Å; M113-L202 HydrophobicContact CE-CD2 4.24Å
114T84.6Confident89.2Confident2 Ų219.2 Ų19.21%0.01211%0.113CC..PPolyproline II helixtrans-87.2129.5-179.7-44.50000110.7E251 R373 L375T114-E251 PolarHBondContact OG1-OE1 2.6Å; T114-R373 WeakPolarHBondContact OG1-CD 3.47Å; T114-L375 HydrophobicContact CG2-CB 3.34Å; T114-L375 HydrophobicContact CG2-CD1 3.33Å; T114-L375 HydrophobicContact CG2-CD2 4.04Å; T114-L375 HydrophobicContact CG2-CG 3.69Å
115S84.5Confident89.8Confident30 Ų3018.4 Ų18.421%0.2110%0.104CC..PPolyproline II helixtrans-75.5129.3174.9-177.80000110.4S117 Q147S115-S117 PolarHBondContact OG-OG 3.21Å; S115-S117 VanDerWaalsContact OG-OG 3.12Å; S115-Q147 PolarHBondContact OG-OE1 3.11Å
116I89Confident90Very high8 Ų822.9 Ų22.94%0.04112%0.123CC..  trans-102.514.5177.361.3164.2000113S118 V119 V120 L229 V249I116-S118 VanDerWaalsContact C-N 3.31Å; I116-S118 PolarHBondContact O-N 2.77Å; I116-V119 HydrophobicContact CB-CB 4.4Å; I116-V119 HydrophobicContact CB-CG2 4.33Å; I116-V119 WeakPolarHBondContact O-CB 3.33Å; I116-V119 PolarHBondContact O-N 2.88Å; I116-V119 VanDerWaalsContact O-N 3.15Å; I116-V120 HydrophobicContact CD1-CG2 4.33Å; I116-V120 HydrophobicContact CG1-CG2 4.5Å; I116-V120 WeakPolarHBondContact O-CG2 3.43Å; I116-V120 PolarHBondContact O-N 3.15Å; I116-L229 HydrophobicContact CD1-CG 4.25Å; I116-L229 HydrophobicContact CG2-CD1 3.74Å; I116-L229 HydrophobicContact CG2-CD2 3.8Å; I116-L229 HydrophobicContact CG2-CG 3.64Å; I116-V249 HydrophobicContact CD1-CB 4.41Å; I116-V249 HydrophobicContact CD1-CG2 4.4Å; I116-V249 HydrophobicContact CG2-CG1 4.35Å
117S89.2Confident90.2Very high9 Ų925 Ų256%0.06313%0.127CC..Hα-helixtrans-59.1-41.3-178.459.30000112.3S115 V120 A121 Q147S115-S117 PolarHBondContact OG-OG 3.21Å; S115-S117 VanDerWaalsContact OG-OG 3.12Å; S117-V120 PolarHBondContact O-N 2.57Å; S117-A121 WeakPolarHBondContact O-CB 3.22Å; S117-A121 PolarHBondContact O-N 3.31Å; S117-Q147 PolarHBondContact OG-OE1 3.05Å
118S89.1Confident90.1Very high20 Ų2028.9 Ų28.914%0.1414%0.143CC..Hα-helixtrans-64.9-37.3175.558.40000112.9I116 G122 W399I116-S118 VanDerWaalsContact C-N 3.31Å; I116-S118 PolarHBondContact O-N 2.77Å; S118-G122 PolarHBondContact O-N 3.23Å; S118-W399 VanDerWaalsContact OG-CH2 3.23Å; S118-W399 WeakPolarHBondContact OG-CH2 3.49Å; S118-W399 VanDerWaalsContact OG-CZ2 3.28Å; S118-W399 WeakPolarHBondContact OG-CZ2 3.38Å
119V91.5Very high89.8Confident0 Ų030 Ų300%015%0.149CC..Hα-helixtrans-66.1-47.8175.9-172.40000110.3I116 G122 I123 V249 L375 V378 V380 W399I116-V119 HydrophobicContact CB-CB 4.4Å; I116-V119 HydrophobicContact CB-CG2 4.33Å; I116-V119 WeakPolarHBondContact O-CB 3.33Å; I116-V119 PolarHBondContact O-N 2.88Å; I116-V119 VanDerWaalsContact O-N 3.15Å; V119-G122 PolarHBondContact O-N 3.08Å; V119-I123 HydrophobicContact CG1-CD1 4.25Å; V119-I123 WeakPolarHBondContact O-CG1 3.43Å; V119-I123 PolarHBondContact O-N 2.97Å; V119-V249 HydrophobicContact CG1-CG1 4.22Å; V119-V249 HydrophobicContact CG1-CG2 3.91Å; V119-L375 HydrophobicContact CG2-CD2 3.68Å; V119-V378 HydrophobicContact CB-CG2 4.43Å; V119-V378 HydrophobicContact CG1-CG2 3.84Å; V119-V378 HydrophobicContact CG2-CG2 3.67Å; V119-V380 HydrophobicContact CG1-CG2 4.01Å; V119-W399 HydrophobicContact CB-CD2 4.37Å; V119-W399 HydrophobicContact CB-CG 4.43Å; V119-W399 HydrophobicContact CG1-CB 4.18Å; V119-W399 HydrophobicContact CG1-CD2 4.48Å; V119-W399 HydrophobicContact CG1-CG 4.08Å; V119-W399 HydrophobicContact CG2-CD2 3.7Å; V119-W399 HydrophobicContact CG2-CE3 3.73Å; V119-W399 HydrophobicContact CG2-CG 4.17Å; V119-W399 HydrophobicContact CG2-CH2 4.27Å; V119-W399 HydrophobicContact CG2-CZ2 4.3Å; V119-W399 HydrophobicContact CG2-CZ3 4.02Å
120V92.7Very high89.6Confident1 Ų136.4 Ų36.41%0.00618%0.177CC..Hα-helixtrans-64.1-42.8178.91730000111I116 S117 G122 I123 I124 M144 V148 L196 A227I116-V120 HydrophobicContact CD1-CG2 4.33Å; I116-V120 HydrophobicContact CG1-CG2 4.5Å; I116-V120 WeakPolarHBondContact O-CG2 3.43Å; I116-V120 PolarHBondContact O-N 3.15Å; S117-V120 PolarHBondContact O-N 2.57Å; V120-G122 VanDerWaalsContact C-N 3.33Å; V120-G122 PolarHBondContact O-N 3.24Å; V120-I123 PolarHBondContact O-N 2.92Å; V120-I124 HydrophobicContact CG1-CD1 3.9Å; V120-I124 HydrophobicContact CG1-CG1 4.5Å; V120-I124 VanDerWaalsContact O-CG1 3.32Å; V120-I124 WeakPolarHBondContact O-CG1 3.31Å; V120-I124 PolarHBondContact O-N 2.93Å; V120-M144 HydrophobicContact CB-CE 3.82Å; V120-M144 HydrophobicContact CG1-CE 3.99Å; V120-M144 HydrophobicContact CG2-CE 3.63Å; V120-V148 HydrophobicContact CB-CG2 4.15Å; V120-V148 HydrophobicContact CG1-CG1 4.42Å; V120-V148 HydrophobicContact CG1-CG2 4.03Å; V120-L196 HydrophobicContact CG1-CD1 3.81Å; V120-L196 HydrophobicContact CG1-CD2 3.89Å; V120-A227 HydrophobicContact CG2-CB 4.48Å
121A91.6Very high89.5Confident5 Ų545.2 Ų45.24%0.04121%0.21CC..Hα-helixtrans-58.9-44.1172.300000111.6S117 I123 I124 H125 V148 Q151 L152S117-A121 WeakPolarHBondContact O-CB 3.22Å; S117-A121 PolarHBondContact O-N 3.31Å; A121-I123 VanDerWaalsContact C-N 3.34Å; A121-I123 PolarHBondContact O-N 2.84Å; A121-I124 PolarHBondContact O-N 3.37Å; A121-H125 WeakPolarHBondContact O-CB 3.46Å; A121-H125 PolarHBondContact O-N 3.2Å; A121-V148 HydrophobicContact CB-CG1 4.32Å; A121-Q151 HydrophobicContact CB-CB 3.53Å; A121-Q151 HydrophobicContact CB-CG 4.36Å; A121-L152 HydrophobicContact CB-CD2 4.06Å; A121-L152 HydrophobicContact CB-CG 4.03Å
122G90.6Very high89.6Confident18 Ų1845.2 Ų45.219%0.18621%0.21CC..Hα-helixtrans-59.3-40.3174.500000113.4S118 V119 V120 K126S118-G122 PolarHBondContact O-N 3.23Å; V119-G122 PolarHBondContact O-N 3.08Å; V120-G122 VanDerWaalsContact C-N 3.33Å; V120-G122 PolarHBondContact O-N 3.24Å; G122-K126 WeakPolarHBondContact O-CB 3.44Å; G122-K126 PolarHBondContact O-N 3.2Å
123I91.6Very high89.8Confident1 Ų145.4 Ų45.41%0.00521%0.211CC..Hα-helixtrans-64.7-46.8174.8-67.5164.7000110.7V119 V120 A121 H125 K126 K127 I225 T247 V249 V380 L405V119-I123 HydrophobicContact CG1-CD1 4.25Å; V119-I123 WeakPolarHBondContact O-CG1 3.43Å; V119-I123 PolarHBondContact O-N 2.97Å; V120-I123 PolarHBondContact O-N 2.92Å; A121-I123 VanDerWaalsContact C-N 3.34Å; A121-I123 PolarHBondContact O-N 2.84Å; I123-H125 PolarHBondContact O-N 2.69Å; I123-K126 PolarHBondContact O-N 3.31Å; I123-K127 HydrophobicContact CG2-CD 3.96Å; I123-K127 WeakPolarHBondContact O-CB 3.3Å; I123-K127 WeakPolarHBondContact O-CG 3.37Å; I123-K127 PolarHBondContact O-N 3.2Å; I123-I225 HydrophobicContact CG2-CD1 4.2Å; I123-T247 HydrophobicContact CD1-CG2 4.23Å; I123-V249 HydrophobicContact CD1-CG2 4.36Å; I123-V380 HydrophobicContact CD1-CG1 3.99Å; I123-V380 HydrophobicContact CD1-CG2 4.31Å; I123-V380 HydrophobicContact CG1-CG1 4.43Å; I123-L405 HydrophobicContact CG1-CD2 4.18Å
124I91.7Very high90.2Very high5 Ų544.1 Ų44.13%0.02620%0.204CC..Hα-helixtrans-59.6-47.4179-70.7166.5000110.7V120 A121 K128 L129 I132 V148 L152 I159V120-I124 HydrophobicContact CG1-CD1 3.9Å; V120-I124 HydrophobicContact CG1-CG1 4.5Å; V120-I124 VanDerWaalsContact O-CG1 3.32Å; V120-I124 WeakPolarHBondContact O-CG1 3.31Å; V120-I124 PolarHBondContact O-N 2.93Å; A121-I124 PolarHBondContact O-N 3.37Å; I124-K128 PolarHBondContact O-N 3.02Å; I124-K128 VanDerWaalsContact O-N 3.12Å; I124-L129 HydrophobicContact CG1-CD1 4.17Å; I124-L129 HydrophobicContact CG2-CB 4.33Å; I124-L129 PolarHBondContact O-N 2.87Å; I124-I132 HydrophobicContact CD1-CD1 3.93Å; I124-I132 HydrophobicContact CG1-CD1 3.91Å; I124-I132 HydrophobicContact CG2-CD1 4.15Å; I124-V148 HydrophobicContact CD1-CG1 3.67Å; I124-L152 HydrophobicContact CB-CD1 4.29Å; I124-L152 HydrophobicContact CD1-CD1 4.08Å; I124-L152 HydrophobicContact CG2-CD1 3.82Å; I124-L152 HydrophobicContact CG2-CD2 4.23Å; I124-I159 HydrophobicContact CG2-CD1 3.6Å
125H88.9Confident90.6Very high119 Ų11944 Ų4455%0.55120%0.203SC*.Hα-helixtrans-61.7-53.5177.2-177.165.7000111.5A121 I123 K127 K128 L152 Q155A121-H125 WeakPolarHBondContact O-CB 3.46Å; A121-H125 PolarHBondContact O-N 3.2Å; I123-H125 PolarHBondContact O-N 2.69Å; H125-K127 VanDerWaalsContact C-N 3.32Å; H125-K127 PolarHBondContact O-N 2.77Å; H125-K128 PolarHBondContact O-N 3.26Å; H125-K128 VanDerWaalsContact O-N 3.08Å; H125-L152 HydrophobicContact CB-CD2 4.39Å; H125-Q155 VanDerWaalsContact CB-NE2 3.28Å; H125-Q155 PolarHBondContact ND1-NE2 2.95Å
126K87.9Confident91Very high113 Ų11344.2 Ų44.249%0.49120%0.2SC..Hα-helixtrans-61.1-39.7-176.9-173.569173.3-168.60112.4G122 I123 K128 L405G122-K126 WeakPolarHBondContact O-CB 3.44Å; G122-K126 PolarHBondContact O-N 3.2Å; I123-K126 PolarHBondContact O-N 3.31Å; K126-K128 VanDerWaalsContact C-N 3.31Å; K126-L405 HydrophobicContact CB-CD2 4.21Å; K126-L405 HydrophobicContact CG-CD2 4.19Å
127K88Confident91Very high59 Ų5945.3 Ų45.326%0.25721%0.205SC..THydrogen-bonded Turntrans-83.2-2.8179.3-69.1-175.5-177.8-73.50113.8I123 H125 L129 E382I123-K127 HydrophobicContact CG2-CD 3.96Å; I123-K127 WeakPolarHBondContact O-CB 3.3Å; I123-K127 WeakPolarHBondContact O-CG 3.37Å; I123-K127 PolarHBondContact O-N 3.2Å; H125-K127 VanDerWaalsContact C-N 3.32Å; H125-K127 PolarHBondContact O-N 2.77Å; K127-L129 VanDerWaalsContact C-N 3.29Å; K127-L129 HydrophobicContact CB-CD1 4.44Å; K127-L129 HydrophobicContact CB-CD2 3.78Å; K127-L129 HydrophobicContact CB-CG 3.81Å; K127-L129 PolarHBondContact O-N 3.03Å; K127-E382 WeakPolarHBondContact CE-OE1 3.39Å; K127-E382 IonicContact NZ-OE1 2.73Å; K127-E382 PolarHBondContact NZ-OE1 3.08Å; K127-E382 IonicContact NZ-OE2 3.18Å; K127-E382 PolarHBondContact NZ-OE2 2.88Å
128K88.8Confident90.7Very high179 Ų17945.7 Ų45.778%0.77821%0.208SC*.THydrogen-bonded Turntrans52.844.8-179.1-57.9-175.6177.5-1750112.6I124 H125 K126 K130I124-K128 PolarHBondContact O-N 3.02Å; I124-K128 VanDerWaalsContact O-N 3.12Å; H125-K128 PolarHBondContact O-N 3.26Å; H125-K128 VanDerWaalsContact O-N 3.08Å; K126-K128 VanDerWaalsContact C-N 3.31Å; K128-K130 PolarHBondContact O-N 3.08Å
129L89.6Confident90.4Very high25 Ų2547.2 Ų47.213%0.13122%0.221CC..  trans-74.1123-177.2-56.8-177.9000110.7I124 K127 I132 V194 I225I124-L129 HydrophobicContact CG1-CD1 4.17Å; I124-L129 HydrophobicContact CG2-CB 4.33Å; I124-L129 PolarHBondContact O-N 2.87Å; K127-L129 VanDerWaalsContact C-N 3.29Å; K127-L129 HydrophobicContact CB-CD1 4.44Å; K127-L129 HydrophobicContact CB-CD2 3.78Å; K127-L129 HydrophobicContact CB-CG 3.81Å; K127-L129 PolarHBondContact O-N 3.03Å; L129-I132 HydrophobicContact CB-CD1 4.04Å; L129-I132 HydrophobicContact CB-CG1 4.16Å; L129-I132 HydrophobicContact CD1-CD1 4.24Å; L129-V194 HydrophobicContact CD1-CG1 3.91Å; L129-V194 HydrophobicContact CD2-CG2 4.11Å; L129-I225 HydrophobicContact CD1-CD1 3.86Å
130K88.9Confident90Very high137 Ų13748.7 Ų48.760%0.59623%0.229SC*.  trans-103.5-22.6-179.4-62.5-171.4177.9-172.10114.5K128 F160K128-K130 PolarHBondContact O-N 3.08Å; K130-F160 PolarHBondContact O-N 3.28Å
131R91.9Very high89.7Confident184 Ų18448.7 Ų48.769%0.69423%0.229SC*.EExtended strand (participates in β ladder)trans-137.2120.3-177.3-65.6-17566.6179.40.1109.2F160R131-F160 WeakPolarHBondContact CA-O 3.23Å; R131-F160 HydrophobicContact CG-CB 4.29Å
132I94Very high89.5Confident7 Ų751.6 Ų51.64%0.03624%0.243CC..EExtended strand (participates in β ladder)trans-132.4137-174.7-57.1174.5000108.7I124 L129 I159 F160 I161 E162 L196I124-I132 HydrophobicContact CD1-CD1 3.93Å; I124-I132 HydrophobicContact CG1-CD1 3.91Å; I124-I132 HydrophobicContact CG2-CD1 4.15Å; L129-I132 HydrophobicContact CB-CD1 4.04Å; L129-I132 HydrophobicContact CB-CG1 4.16Å; L129-I132 HydrophobicContact CD1-CD1 4.24Å; I132-I159 HydrophobicContact CD1-CG2 3.98Å; I132-I159 HydrophobicContact CG1-CG2 4.34Å; I132-F160 PolarHBondContact N-O 3Å; I132-I161 CarbonylContact O-C 3.38Å; I132-I161 WeakPolarHBondContact O-CA 3.5Å; I132-E162 PolarHBondContact O-N 3.38Å; I132-L196 HydrophobicContact CG2-CB 3.77Å
133I94.5Very high89.3Confident4 Ų455 Ų552%0.02125%0.252CS..EExtended strand (participates in β ladder)trans-95.1117.8165.5-57166.5000106.9E162 Q164 F182 Q193 V194 V195 L196I133-E162 CarbonylContact C-O 3.52Å; I133-E162 WeakPolarHBondContact CA-O 3.29Å; I133-E162 HydrophobicContact CG1-CB 4.36Å; I133-Q164 HydrophobicContact CG2-CB 4.22Å; I133-F182 HydrophobicContact CD1-CZ 4.47Å; I133-F182 HydrophobicContact CG2-CE2 4.17Å; I133-F182 HydrophobicContact CG2-CZ 3.96Å; I133-Q193 HydrophobicContact CD1-CB 4.15Å; I133-Q193 HydrophobicContact CD1-CG 4.4Å; I133-V194 PolarHBondContact N-O 2.84Å; I133-V195 HydrophobicContact CB-CG2 4.39Å; I133-V195 HydrophobicContact CD1-CG2 4.31Å; I133-V195 CarbonylContact O-C 3.58Å; I133-V195 VanDerWaalsContact O-CA 3.31Å; I133-V195 WeakPolarHBondContact O-CA 3.35Å; I133-L196 PolarHBondContact O-N 3.46Å
134F95.3Very high89.1Confident0 Ų055.1 Ų55.10%025%0.252CS..EExtended strand (participates in β ladder)trans-93103.7174.3-172.3-115.1000109.5Y136 G141 L142 M144 L145 I161 E162 L163 Q164 L196 H198F134-Y136 AromaticContact CD1-CD1 3.73Å; F134-Y136 HydrophobicContact CD1-CD1 3.73Å; F134-Y136 HydrophobicContact CD1-CG 4.16Å; F134-Y136 HydrophobicContact CE1-CD1 4.04Å; F134-Y136 AromaticContact CE1-CG 3.99Å; F134-Y136 HydrophobicContact CE1-CG 3.99Å; F134-G141 VanDerWaalsContact CE1-O 3.22Å; F134-G141 WeakPolarHBondContact CE1-O 3.39Å; F134-G141 WeakPolarHBondContact CZ-O 3.47Å; F134-L142 HydrophobicContact CE1-CD2 4.42Å; F134-M144 HydrophobicContact CE2-SD 4.49Å; F134-L145 HydrophobicContact CB-CD2 4.46Å; F134-L145 HydrophobicContact CD1-CB 4.29Å; F134-L145 HydrophobicContact CD1-CD1 4.44Å; F134-L145 HydrophobicContact CD1-CD2 3.74Å; F134-L145 HydrophobicContact CD1-CG 4.38Å; F134-L145 HydrophobicContact CD2-CD1 4.08Å; F134-L145 HydrophobicContact CE1-CB 3.86Å; F134-L145 HydrophobicContact CE1-CD2 4.14Å; F134-L145 HydrophobicContact CE1-CG 4.45Å; F134-L145 HydrophobicContact CE2-CB 4.42Å; F134-L145 HydrophobicContact CE2-CD1 4.33Å; F134-L145 HydrophobicContact CG-CD1 4.12Å; F134-L145 HydrophobicContact CG-CD2 4.09Å; F134-L145 HydrophobicContact CZ-CB 3.95Å; F134-I161 HydrophobicContact CB-CG2 3.77Å; F134-E162 PolarHBondContact N-O 2.96Å; F134-L163 HydrophobicContact CB-CD2 4.09Å; F134-L163 HydrophobicContact CD1-CD2 4Å; F134-L163 HydrophobicContact CG-CD2 4.49Å; F134-Q164 PolarHBondContact O-N 2.74Å; F134-L196 HydrophobicContact CD2-CB 3.95Å; F134-L196 HydrophobicContact CD2-CD2 3.68Å; F134-L196 HydrophobicContact CD2-CG 3.86Å; F134-L196 HydrophobicContact CE2-CD2 3.85Å; F134-L196 HydrophobicContact CE2-CG 4.04Å; F134-H198 HydrophobicContact CE2-CB 3.95Å; F134-H198 HydrophobicContact CZ-CB 3.72Å
135L94.4Very high89.1Confident0 Ų055.6 Ų55.60%025%0.254CS..EExtended strand (participates in β ladder)trans-94.1110.5178.1-178.765.1000109.3Q164 F166 L169 F179 F182 V195 L196 V197 H198L135-Q164 CarbonylContact C-O 3.53Å; L135-Q164 VanDerWaalsContact CA-O 3.3Å; L135-Q164 WeakPolarHBondContact CA-O 3.46Å; L135-Q164 HydrophobicContact CD1-CB 4.02Å; L135-Q164 HydrophobicContact CD1-CG 3.71Å; L135-F166 HydrophobicContact CD1-CD1 4.29Å; L135-F166 HydrophobicContact CD1-CD2 4.33Å; L135-F166 HydrophobicContact CD1-CE1 4.31Å; L135-F166 HydrophobicContact CD1-CE2 4.34Å; L135-F166 HydrophobicContact CD1-CG 4.31Å; L135-F166 HydrophobicContact CD1-CZ 4.33Å; L135-F166 HydrophobicContact CD2-CD1 4.41Å; L135-F166 HydrophobicContact CD2-CE1 3.65Å; L135-F166 HydrophobicContact CD2-CE2 4.07Å; L135-F166 HydrophobicContact CD2-CZ 3.44Å; L135-F166 VanDerWaalsContact CD2-CZ 3.44Å; L135-F166 HydrophobicContact CG-CD1 4.43Å; L135-F166 HydrophobicContact CG-CD2 4.15Å; L135-F166 HydrophobicContact CG-CE1 4Å; L135-F166 HydrophobicContact CG-CE2 3.68Å; L135-F166 HydrophobicContact CG-CZ 3.6Å; L135-L169 HydrophobicContact CD1-CD1 4.43Å; L135-F179 HydrophobicContact CD2-CD2 4.14Å; L135-F179 HydrophobicContact CD2-CE2 4.33Å; L135-F182 HydrophobicContact CD1-CD2 4.07Å; L135-F182 HydrophobicContact CD1-CE2 4.32Å; L135-F182 HydrophobicContact CD1-CG 4.35Å; L135-F182 HydrophobicContact CD2-CD1 3.74Å; L135-F182 HydrophobicContact CD2-CD2 4.37Å; L135-F182 HydrophobicContact CD2-CE1 4.03Å; L135-F182 HydrophobicContact CD2-CG 3.93Å; L135-F182 HydrophobicContact CD2-CZ 4.45Å; L135-V195 HydrophobicContact CB-CG1 3.93Å; L135-V195 HydrophobicContact CD2-CG1 4.45Å; L135-L196 PolarHBondContact N-O 2.76Å; L135-V197 HydrophobicContact CD2-CG2 4.36Å; L135-V197 WeakPolarHBondContact O-CA 3.35Å; L135-H198 PolarHBondContact O-N 2.98Å
136Y92.6Very high89.1Confident34 Ų3453 Ų5313%0.13325%0.245CC..EExtended strand (participates in β ladder)trans-128.4153.2-173.170.2-85.1000113.2F134 S138 L142 L163 Q164 R165 F166 H198F134-Y136 AromaticContact CD1-CD1 3.73Å; F134-Y136 HydrophobicContact CD1-CD1 3.73Å; F134-Y136 HydrophobicContact CD1-CG 4.16Å; F134-Y136 HydrophobicContact CE1-CD1 4.04Å; F134-Y136 AromaticContact CE1-CG 3.99Å; F134-Y136 HydrophobicContact CE1-CG 3.99Å; Y136-S138 WeakPolarHBondContact CD2-O 3.44Å; Y136-L142 HydrophobicContact CD1-CD2 4.22Å; Y136-L142 HydrophobicContact CD2-CD2 4.41Å; Y136-L142 HydrophobicContact CD2-CG 4.39Å; Y136-L142 HydrophobicContact CE1-CD2 3.99Å; Y136-L142 HydrophobicContact CE2-CD1 4.33Å; Y136-L142 HydrophobicContact CE2-CD2 4.16Å; Y136-L142 HydrophobicContact CE2-CG 4.14Å; Y136-L142 HydrophobicContact CG-CD2 4.43Å; Y136-L163 HydrophobicContact CE1-CB 4.16Å; Y136-Q164 WeakPolarHBondContact CD1-O 3.09Å; Y136-Q164 PolarHBondContact N-O 3.45Å; Y136-R165 HydrophobicContact CD2-CG 4.24Å; Y136-R165 HydrophobicContact CE1-CB 4.25Å; Y136-R165 HydrophobicContact CE2-CB 4.06Å; Y136-R165 HydrophobicContact CE2-CG 3.8Å; Y136-R165 CarbonylContact O-C 3.57Å; Y136-R165 WeakPolarHBondContact O-CA 3.43Å; Y136-F166 WeakPolarHBondContact O-CD2 3.31Å; Y136-F166 PolarHBondContact O-N 2.89Å; Y136-H198 WeakPolarHBondContact CA-O 3.08Å
137E87.8Confident89Confident32 Ų3248.4 Ų48.415%0.1523%0.225CC..SBendtrans-88.5-55.8-179-178.7168.6-151.600112.5R165 F166 H198 D200 K204E137-R165 PolarHBondContact O-NE 3.41Å; E137-F166 HydrophobicContact CB-CD2 4.07Å; E137-H198 PolarHBondContact N-O 2.62Å; E137-D200 PolarHBondContact OE2-N 3Å; E137-D200 VanDerWaalsContact OE2-N 3.07Å; E137-K204 WeakPolarHBondContact OE1-CE 3.33Å; E137-K204 IonicContact OE1-NZ 3.59Å; E137-K204 PolarHBondContact OE1-NZ 2.81Å; E137-K204 WeakPolarHBondContact OE2-CD 3.42Å; E137-K204 IonicContact OE2-NZ 2.68Å; E137-K204 PolarHBondContact OE2-NZ 3.01Å
138S83.7Confident89.1Confident17 Ų1745.6 Ų45.612%0.11921%0.213CC..SBendtrans-127.8177.9-172.878.30000112.2Y136 D140 G141 D200Y136-S138 WeakPolarHBondContact CD2-O 3.44Å; S138-D140 PolarHBondContact O-N 2.02Å; S138-D140 WeakPolarHBondContact OG-CB 3.44Å; S138-D140 PolarHBondContact OG-N 2.85Å; S138-G141 PolarHBondContact O-N 2.87Å; S138-D200 WeakPolarHBondContact CB-OD1 3.41Å; S138-D200 WeakPolarHBondContact CB-OD2 3.17Å; S138-D200 PolarHBondContact OG-OD1 3.31Å; S138-D200 PolarHBondContact OG-OD2 3.44Å
139A83.6Confident89.1Confident51 Ų5140.3 Ų40.342%0.42119%0.193SC..Hα-helixtrans-58.4-27174.800000112.7G141 L142 Y143A139-G141 PolarHBondContact O-N 3.22Å; A139-L142 WeakPolarHBondContact O-CB 3.31Å; A139-L142 PolarHBondContact O-N 3.44Å; A139-Y143 HydrophobicContact CB-CE2 4.47Å; A139-Y143 WeakPolarHBondContact O-CD2 3.36Å; A139-Y143 PolarHBondContact O-N 3.44Å
140D81.5Confident89Confident32 Ų3245.2 Ų45.217%0.17121%0.21CC..Hα-helixtrans-56-37.9178.2-61-11.4000111.3T77 S138 L142 Y143 M144T77-D140 WeakPolarHBondContact CB-OD1 3.49Å; T77-D140 PolarHBondContact N-OD1 3.42Å; T77-D140 PolarHBondContact OG1-OD1 3.07Å; S138-D140 PolarHBondContact O-N 2.02Å; S138-D140 WeakPolarHBondContact OG-CB 3.44Å; S138-D140 PolarHBondContact OG-N 2.85Å; D140-L142 VanDerWaalsContact C-N 3.29Å; D140-L142 PolarHBondContact O-N 3.16Å; D140-Y143 WeakPolarHBondContact O-CB 3.07Å; D140-Y143 PolarHBondContact O-N 3.1Å; D140-M144 PolarHBondContact O-N 3.16Å; D140-M144 VanDerWaalsContact O-N 3.16Å
141G86.2Confident88.8Confident0 Ų044.4 Ų44.40%021%0.208CC..Hα-helixtrans-63-32.4175.200000113.7F134 S138 A139 Y143 M144 L145 H198F134-G141 VanDerWaalsContact CE1-O 3.22Å; F134-G141 WeakPolarHBondContact CE1-O 3.39Å; F134-G141 WeakPolarHBondContact CZ-O 3.47Å; S138-G141 PolarHBondContact O-N 2.87Å; A139-G141 PolarHBondContact O-N 3.22Å; G141-Y143 VanDerWaalsContact C-N 3.32Å; G141-M144 PolarHBondContact O-N 3.14Å; G141-L145 WeakPolarHBondContact O-CB 3.35Å; G141-L145 PolarHBondContact O-N 2.66Å; G141-H198 VanDerWaalsContact CA-ND1 3.3Å; G141-H198 WeakPolarHBondContact CA-ND1 3.3Å
142L88.5Confident88.6Confident66 Ų6636.4 Ų36.435%0.34618%0.179SC..Hα-helixtrans-70.8-30.8177.5-60.2176.9000111.8F134 Y136 A139 D140 L145 N146 L163F134-L142 HydrophobicContact CE1-CD2 4.42Å; Y136-L142 HydrophobicContact CD1-CD2 4.22Å; Y136-L142 HydrophobicContact CD2-CD2 4.41Å; Y136-L142 HydrophobicContact CD2-CG 4.39Å; Y136-L142 HydrophobicContact CE1-CD2 3.99Å; Y136-L142 HydrophobicContact CE2-CD1 4.33Å; Y136-L142 HydrophobicContact CE2-CD2 4.16Å; Y136-L142 HydrophobicContact CE2-CG 4.14Å; Y136-L142 HydrophobicContact CG-CD2 4.43Å; A139-L142 WeakPolarHBondContact O-CB 3.31Å; A139-L142 PolarHBondContact O-N 3.44Å; D140-L142 VanDerWaalsContact C-N 3.29Å; D140-L142 PolarHBondContact O-N 3.16Å; L142-L145 PolarHBondContact O-N 3.25Å; L142-N146 WeakPolarHBondContact O-CB 3.36Å; L142-N146 PolarHBondContact O-N 3.26Å; L142-L163 HydrophobicContact CD2-CD1 4.41Å; L142-L163 HydrophobicContact CD2-CD2 4.26Å
143Y85.6Confident88.1Confident91 Ų9139.5 Ų39.536%0.35721%0.206SC..Hα-helixtrans-68.6-45172.6-67.7-79.5000111.3T77 P101 A139 D140 G141 L145 N146 Q147T77-Y143 HydrophobicContact CG2-CE2 3.8Å; T77-Y143 VanDerWaalsContact OG1-CE2 3.31Å; T77-Y143 WeakPolarHBondContact OG1-CE2 3.24Å; P101-Y143 HydrophobicContact CB-CD1 4.09Å; P101-Y143 HydrophobicContact CB-CD2 3.62Å; P101-Y143 HydrophobicContact CB-CE2 4.11Å; P101-Y143 HydrophobicContact CB-CG 3.6Å; P101-Y143 VanDerWaalsContact O-CD1 3.28Å; P101-Y143 WeakPolarHBondContact O-CD1 3.24Å; A139-Y143 HydrophobicContact CB-CE2 4.47Å; A139-Y143 WeakPolarHBondContact O-CD2 3.36Å; A139-Y143 PolarHBondContact O-N 3.44Å; D140-Y143 WeakPolarHBondContact O-CB 3.07Å; D140-Y143 PolarHBondContact O-N 3.1Å; G141-Y143 VanDerWaalsContact C-N 3.32Å; Y143-L145 VanDerWaalsContact C-N 3.27Å; Y143-L145 PolarHBondContact O-N 2.67Å; Y143-N146 WeakPolarHBondContact O-CB 3.44Å; Y143-N146 PolarHBondContact O-N 3.41Å; Y143-N146 VanDerWaalsContact O-N 3.13Å; Y143-Q147 WeakPolarHBondContact O-CG 3.32Å; Y143-Q147 PolarHBondContact O-N 3.03Å
144M87.7Confident87.2Confident3 Ų347 Ų472%0.01525%0.246CC..Hα-helixtrans-55.7-45.4172.5-177.5-78.317900110.8V120 F134 D140 G141 N146 Q147 V148 A227V120-M144 HydrophobicContact CB-CE 3.82Å; V120-M144 HydrophobicContact CG1-CE 3.99Å; V120-M144 HydrophobicContact CG2-CE 3.63Å; F134-M144 HydrophobicContact CE2-SD 4.49Å; D140-M144 PolarHBondContact O-N 3.16Å; D140-M144 VanDerWaalsContact O-N 3.16Å; G141-M144 PolarHBondContact O-N 3.14Å; M144-N146 VanDerWaalsContact C-N 3.35Å; M144-N146 PolarHBondContact O-N 3.13Å; M144-Q147 WeakPolarHBondContact O-CB 3.48Å; M144-Q147 PolarHBondContact O-N 3.41Å; M144-V148 HydrophobicContact CE-CG2 3.58Å; M144-V148 WeakPolarHBondContact O-CG2 3.43Å; M144-V148 PolarHBondContact O-N 3.36Å; M144-V148 HydrophobicContact SD-CG2 3.7Å; M144-A227 HydrophobicContact CE-CB 3.65Å; M144-A227 HydrophobicContact SD-CB 4.17Å
145L91Very high86.1Confident14 Ų1449.4 Ų49.47%0.07326%0.257CS..Hα-helixtrans-61.1-41.2176.4-175.565.9000112.6F134 G141 L142 Y143 Q147 V148 N149 I161 L163F134-L145 HydrophobicContact CB-CD2 4.46Å; F134-L145 HydrophobicContact CD1-CB 4.29Å; F134-L145 HydrophobicContact CD1-CD1 4.44Å; F134-L145 HydrophobicContact CD1-CD2 3.74Å; F134-L145 HydrophobicContact CD1-CG 4.38Å; F134-L145 HydrophobicContact CD2-CD1 4.08Å; F134-L145 HydrophobicContact CE1-CB 3.86Å; F134-L145 HydrophobicContact CE1-CD2 4.14Å; F134-L145 HydrophobicContact CE1-CG 4.45Å; F134-L145 HydrophobicContact CE2-CB 4.42Å; F134-L145 HydrophobicContact CE2-CD1 4.33Å; F134-L145 HydrophobicContact CG-CD1 4.12Å; F134-L145 HydrophobicContact CG-CD2 4.09Å; F134-L145 HydrophobicContact CZ-CB 3.95Å; G141-L145 WeakPolarHBondContact O-CB 3.35Å; G141-L145 PolarHBondContact O-N 2.66Å; L142-L145 PolarHBondContact O-N 3.25Å; Y143-L145 VanDerWaalsContact C-N 3.27Å; Y143-L145 PolarHBondContact O-N 2.67Å; L145-Q147 VanDerWaalsContact C-N 3.34Å; L145-V148 PolarHBondContact O-N 2.96Å; L145-N149 VanDerWaalsContact O-CG 3.3Å; L145-N149 PolarHBondContact O-N 3.43Å; L145-I161 HydrophobicContact CD1-CD1 3.89Å; L145-I161 HydrophobicContact CD1-CG2 4.36Å; L145-I161 HydrophobicContact CD2-CG2 4.21Å; L145-L163 HydrophobicContact CD2-CD2 3.57Å
146N89.2Confident85Confident65 Ų6559.1 Ų59.135%0.34830%0.302SS..Hα-helixtrans-62.8-41.1176.3-173.334.2000111.7L142 Y143 M144 N149 R150L142-N146 WeakPolarHBondContact O-CB 3.36Å; L142-N146 PolarHBondContact O-N 3.26Å; Y143-N146 WeakPolarHBondContact O-CB 3.44Å; Y143-N146 PolarHBondContact O-N 3.41Å; Y143-N146 VanDerWaalsContact O-N 3.13Å; M144-N146 VanDerWaalsContact C-N 3.35Å; M144-N146 PolarHBondContact O-N 3.13Å; N146-N149 PolarHBondContact O-N 2.76Å; N146-R150 WeakPolarHBondContact O-CG 3.25Å; N146-R150 PolarHBondContact O-N 2.83Å
147Q87Confident84.1Confident17 Ų1760.1 Ų60.18%0.07931%0.314CS..Hα-helixtrans-62.1-43.9174.2-67.6-177.850.700111.5S115 S117 Y143 M144 L145 N149 R150 Q151S115-Q147 PolarHBondContact OG-OE1 3.11Å; S117-Q147 PolarHBondContact OG-OE1 3.05Å; Y143-Q147 WeakPolarHBondContact O-CG 3.32Å; Y143-Q147 PolarHBondContact O-N 3.03Å; M144-Q147 WeakPolarHBondContact O-CB 3.48Å; M144-Q147 PolarHBondContact O-N 3.41Å; L145-Q147 VanDerWaalsContact C-N 3.34Å; Q147-N149 VanDerWaalsContact C-N 3.34Å; Q147-N149 PolarHBondContact O-N 3.42Å; Q147-R150 PolarHBondContact O-N 2.94Å; Q147-Q151 WeakPolarHBondContact O-CG 3.31Å; Q147-Q151 PolarHBondContact O-N 3.18Å
148V90.1Very high83.9Confident0 Ų063.4 Ų63.40%034%0.339CS..Hα-helixtrans-59.5-44.8173.9171.50000110.9V120 A121 I124 M144 L145 R150 Q151 L152V120-V148 HydrophobicContact CB-CG2 4.15Å; V120-V148 HydrophobicContact CG1-CG1 4.42Å; V120-V148 HydrophobicContact CG1-CG2 4.03Å; A121-V148 HydrophobicContact CB-CG1 4.32Å; I124-V148 HydrophobicContact CD1-CG1 3.67Å; M144-V148 HydrophobicContact CE-CG2 3.58Å; M144-V148 WeakPolarHBondContact O-CG2 3.43Å; M144-V148 PolarHBondContact O-N 3.36Å; M144-V148 HydrophobicContact SD-CG2 3.7Å; L145-V148 PolarHBondContact O-N 2.96Å; V148-R150 VanDerWaalsContact C-N 3.32Å; V148-R150 PolarHBondContact O-N 3.36Å; V148-Q151 PolarHBondContact O-N 2.89Å; V148-L152 HydrophobicContact CG1-CD1 3.63Å; V148-L152 HydrophobicContact CG1-CG 4.48Å; V148-L152 VanDerWaalsContact O-CG 3.25Å; V148-L152 WeakPolarHBondContact O-CG 3.44Å; V148-L152 PolarHBondContact O-N 3.1Å; V148-L152 VanDerWaalsContact O-N 3.16Å
149N88.9Confident84.1Confident67 Ų6764.5 Ų64.536%0.35834%0.343SS..Hα-helixtrans-62.3-37.8179.5-75-18.7000112.7L145 N146 Q147 L152 A153 I161L145-N149 VanDerWaalsContact O-CG 3.3Å; L145-N149 PolarHBondContact O-N 3.43Å; N146-N149 PolarHBondContact O-N 2.76Å; Q147-N149 VanDerWaalsContact C-N 3.34Å; Q147-N149 PolarHBondContact O-N 3.42Å; N149-L152 CarbonylContact O-C 3.54Å; N149-L152 PolarHBondContact O-N 2.93Å; N149-L152 VanDerWaalsContact O-N 3.14Å; N149-A153 PolarHBondContact O-N 3.5Å; N149-I161 WeakPolarHBondContact OD1-CD1 3.38Å
150R86.9Confident84.4Confident128 Ų12868.8 Ų68.848%0.48335%0.352SS..Hα-helixtrans-65.9-40.2176.1-72.6-178.8-177.3167.94.4112.7D103 N146 Q147 V148 L152 A153D103-R150 IonicContact OD1-CZ 2.75Å; D103-R150 IonicContact OD1-NH1 3.18Å; D103-R150 PolarHBondContact OD1-NH1 3.1Å; D103-R150 IonicContact OD1-NH2 3.5Å; D103-R150 IonicContact OD2-CZ 2.78Å; D103-R150 IonicContact OD2-NH1 3.93Å; D103-R150 PolarHBondContact OD2-NH1 2.93Å; D103-R150 IonicContact OD2-NH2 3.61Å; D103-R150 PolarHBondContact OD2-NH2 2.99Å; N146-R150 WeakPolarHBondContact O-CG 3.25Å; N146-R150 PolarHBondContact O-N 2.83Å; Q147-R150 PolarHBondContact O-N 2.94Å; V148-R150 VanDerWaalsContact C-N 3.32Å; V148-R150 PolarHBondContact O-N 3.36Å; R150-L152 PolarHBondContact O-N 2.91Å; R150-A153 VanDerWaalsContact O-CB 3.29Å; R150-A153 WeakPolarHBondContact O-CB 3.42Å; R150-A153 PolarHBondContact O-N 2.86Å
151Q85.2Confident84.9Confident120 Ų12069.7 Ų69.756%0.56136%0.356SS*.Hα-helixtrans-65.2-19174-66.3-72-13.700112.6A121 Q147 V148A121-Q151 HydrophobicContact CB-CB 3.53Å; A121-Q151 HydrophobicContact CB-CG 4.36Å; Q147-Q151 WeakPolarHBondContact O-CG 3.31Å; Q147-Q151 PolarHBondContact O-N 3.18Å; V148-Q151 PolarHBondContact O-N 2.89Å
152L87.4Confident85.3Confident17 Ų1773.1 Ų73.19%0.08937%0.372CS..THydrogen-bonded Turntrans-104.44.2179.1-61.7169.2000112.7A121 I124 H125 V148 N149 R150 D154 Q155 I159A121-L152 HydrophobicContact CB-CD2 4.06Å; A121-L152 HydrophobicContact CB-CG 4.03Å; I124-L152 HydrophobicContact CB-CD1 4.29Å; I124-L152 HydrophobicContact CD1-CD1 4.08Å; I124-L152 HydrophobicContact CG2-CD1 3.82Å; I124-L152 HydrophobicContact CG2-CD2 4.23Å; H125-L152 HydrophobicContact CB-CD2 4.39Å; V148-L152 HydrophobicContact CG1-CD1 3.63Å; V148-L152 HydrophobicContact CG1-CG 4.48Å; V148-L152 VanDerWaalsContact O-CG 3.25Å; V148-L152 WeakPolarHBondContact O-CG 3.44Å; V148-L152 PolarHBondContact O-N 3.1Å; V148-L152 VanDerWaalsContact O-N 3.16Å; N149-L152 CarbonylContact O-C 3.54Å; N149-L152 PolarHBondContact O-N 2.93Å; N149-L152 VanDerWaalsContact O-N 3.14Å; R150-L152 PolarHBondContact O-N 2.91Å; L152-D154 PolarHBondContact O-N 2.94Å; L152-Q155 HydrophobicContact CD2-CG 4.39Å; L152-Q155 WeakPolarHBondContact O-CB 3.2Å; L152-Q155 PolarHBondContact O-N 3.45Å; L152-Q155 VanDerWaalsContact O-N 3.11Å; L152-I159 HydrophobicContact CD1-CD1 3.89Å
153A83.3Confident85.5Confident72 Ų7274.4 Ų74.460%0.59538%0.379SS*.THydrogen-bonded Turntrans-61.7-32.6-174.200000112.9N149 R150 Q155N149-A153 PolarHBondContact O-N 3.5Å; R150-A153 VanDerWaalsContact O-CB 3.29Å; R150-A153 WeakPolarHBondContact O-CB 3.42Å; R150-A153 PolarHBondContact O-N 2.86Å; A153-Q155 PolarHBondContact O-N 2.9Å
154D75.5Confident85.8Confident162 Ų16272 Ų7287%0.86637%0.371SS*.THydrogen-bonded Turntrans-82.16.2-179.5-60.8-30.9000113.4L152L152-D154 PolarHBondContact O-N 2.94Å
155Q73.3Confident85.9Confident49 Ų4977.3 Ų77.323%0.22939%0.391CS..  trans-78.3135178.4-71-162.8-600113H125 L152 A153 S157H125-Q155 VanDerWaalsContact CB-NE2 3.28Å; H125-Q155 PolarHBondContact ND1-NE2 2.95Å; L152-Q155 HydrophobicContact CD2-CG 4.39Å; L152-Q155 WeakPolarHBondContact O-CB 3.2Å; L152-Q155 PolarHBondContact O-N 3.45Å; L152-Q155 VanDerWaalsContact O-N 3.11Å; A153-Q155 PolarHBondContact O-N 2.9Å; Q155-S157 PolarHBondContact O-N 3.44Å
156E69.2Low85.7Confident205 Ų20576.9 Ų76.996%0.95839%0.389SS*.SBendtrans-64.8-22.8179.1-63.3179.316600114.2
157S74.3Confident85.1Confident55 Ų5576.4 Ų76.439%0.38539%0.39SS..SBendtrans-116.3131.1-174.369.40000112.8Q155Q155-S157 PolarHBondContact O-N 3.44Å
158P83.5Confident84.4Confident101 Ų10179.2 Ų79.266%0.65642%0.416SS*.  trans-67.1139.517828.2-34.5000111.4
159I87.9Confident83.3Confident40 Ų4080.3 Ų80.321%0.20542%0.422CS..  trans-104.6125.5175.2-54.9175.1000108.4I124 I132 L152 I161I124-I159 HydrophobicContact CG2-CD1 3.6Å; I132-I159 HydrophobicContact CD1-CG2 3.98Å; I132-I159 HydrophobicContact CG1-CG2 4.34Å; L152-I159 HydrophobicContact CD1-CD1 3.89Å; I159-I161 HydrophobicContact CG2-CG1 4.08Å
160F90.7Very high82.3Confident141 Ų14181.8 Ų81.862%0.61843%0.43SS*.EExtended strand (participates in β ladder)trans-88.5121.5175.7-64.3-83.7000110.3K130 R131 I132K130-F160 PolarHBondContact O-N 3.28Å; R131-F160 WeakPolarHBondContact CA-O 3.23Å; R131-F160 HydrophobicContact CG-CB 4.29Å; I132-F160 PolarHBondContact N-O 3Å
161I92.4Very high81Confident50 Ų5078.9 Ų78.926%0.25644%0.439SS..EExtended strand (participates in β ladder)trans-116.6116.6-178.7-52.1-175.5000109.6I132 F134 L145 N149 I159 L163I132-I161 CarbonylContact O-C 3.38Å; I132-I161 WeakPolarHBondContact O-CA 3.5Å; F134-I161 HydrophobicContact CB-CG2 3.77Å; L145-I161 HydrophobicContact CD1-CD1 3.89Å; L145-I161 HydrophobicContact CD1-CG2 4.36Å; L145-I161 HydrophobicContact CD2-CG2 4.21Å; N149-I161 WeakPolarHBondContact OD1-CD1 3.38Å; I159-I161 HydrophobicContact CG2-CG1 4.08Å; I161-L163 HydrophobicContact CG2-CD2 4.2Å
162E93.4Very high80Confident73 Ų7375 Ų7534%0.34143%0.426SS..EExtended strand (participates in β ladder)trans-90.5120.8172.5-177.3-174153.400109.1I132 I133 F134 R189I132-E162 PolarHBondContact O-N 3.38Å; I133-E162 CarbonylContact C-O 3.52Å; I133-E162 WeakPolarHBondContact CA-O 3.29Å; I133-E162 HydrophobicContact CG1-CB 4.36Å; F134-E162 PolarHBondContact N-O 2.96Å; E162-R189 VanDerWaalsContact CD-NH1 3.25Å; E162-R189 IonicContact OE1-CZ 2.72Å; E162-R189 VanDerWaalsContact OE1-CZ 3.31Å; E162-R189 IonicContact OE1-NH1 3.81Å; E162-R189 PolarHBondContact OE1-NH1 3.12Å; E162-R189 IonicContact OE1-NH2 2.78Å; E162-R189 PolarHBondContact OE1-NH2 3.35Å; E162-R189 IonicContact OE2-CZ 3.1Å; E162-R189 IonicContact OE2-NH1 3.88Å; E162-R189 PolarHBondContact OE2-NH1 2.85Å
163L93.9Very high79Confident93 Ų9384.3 Ų84.349%0.48747%0.466SS..EExtended strand (participates in β ladder)trans-88.1125.4-179-62.1-179000111F134 Y136 L142 L145 I161F134-L163 HydrophobicContact CB-CD2 4.09Å; F134-L163 HydrophobicContact CD1-CD2 4Å; F134-L163 HydrophobicContact CG-CD2 4.49Å; Y136-L163 HydrophobicContact CE1-CB 4.16Å; L142-L163 HydrophobicContact CD2-CD1 4.41Å; L142-L163 HydrophobicContact CD2-CD2 4.26Å; L145-L163 HydrophobicContact CD2-CD2 3.57Å; I161-L163 HydrophobicContact CG2-CD2 4.2Å
164Q91.6Very high78.9Confident41 Ų4184.8 Ų84.819%0.19246%0.458CS..EExtended strand (participates in β ladder)trans-129.3125.5174.8-173.967.243.500110.3I133 F134 L135 Y136 L169 F182I133-Q164 HydrophobicContact CG2-CB 4.22Å; F134-Q164 PolarHBondContact O-N 2.74Å; L135-Q164 CarbonylContact C-O 3.53Å; L135-Q164 VanDerWaalsContact CA-O 3.3Å; L135-Q164 WeakPolarHBondContact CA-O 3.46Å; L135-Q164 HydrophobicContact CD1-CB 4.02Å; L135-Q164 HydrophobicContact CD1-CG 3.71Å; Y136-Q164 WeakPolarHBondContact CD1-O 3.09Å; Y136-Q164 PolarHBondContact N-O 3.45Å; Q164-L169 HydrophobicContact CG-CD2 4.36Å; Q164-F182 HydrophobicContact CB-CE2 4.48Å; Q164-F182 HydrophobicContact CG-CD2 4.08Å; Q164-F182 HydrophobicContact CG-CE2 4.01Å
165R90.2Very high79.3Confident113 Ų11377.8 Ų77.843%0.42642%0.42SS..EExtended strand (participates in β ladder)trans-95.2139.7174.7-164.1174.8-177.5-177.3-0.7111.4Y136 E137 S167 A168Y136-R165 HydrophobicContact CD2-CG 4.24Å; Y136-R165 HydrophobicContact CE1-CB 4.25Å; Y136-R165 HydrophobicContact CE2-CB 4.06Å; Y136-R165 HydrophobicContact CE2-CG 3.8Å; Y136-R165 CarbonylContact O-C 3.57Å; Y136-R165 WeakPolarHBondContact O-CA 3.43Å; E137-R165 PolarHBondContact O-NE 3.41Å; R165-S167 PolarHBondContact O-N 3.38Å; R165-A168 HydrophobicContact CB-CB 4.39Å; R165-A168 PolarHBondContact O-N 3.18Å
166F85.6Confident79.8Confident6 Ų676.5 Ų76.53%0.02642%0.417CS..SBendtrans-58.3-45.9178.4-86.4-76.4000113.7L135 Y136 E137 A168 L169 I175 F179 V197 V199 I208L135-F166 HydrophobicContact CD1-CD1 4.29Å; L135-F166 HydrophobicContact CD1-CD2 4.33Å; L135-F166 HydrophobicContact CD1-CE1 4.31Å; L135-F166 HydrophobicContact CD1-CE2 4.34Å; L135-F166 HydrophobicContact CD1-CG 4.31Å; L135-F166 HydrophobicContact CD1-CZ 4.33Å; L135-F166 HydrophobicContact CD2-CD1 4.41Å; L135-F166 HydrophobicContact CD2-CE1 3.65Å; L135-F166 HydrophobicContact CD2-CE2 4.07Å; L135-F166 HydrophobicContact CD2-CZ 3.44Å; L135-F166 VanDerWaalsContact CD2-CZ 3.44Å; L135-F166 HydrophobicContact CG-CD1 4.43Å; L135-F166 HydrophobicContact CG-CD2 4.15Å; L135-F166 HydrophobicContact CG-CE1 4Å; L135-F166 HydrophobicContact CG-CE2 3.68Å; L135-F166 HydrophobicContact CG-CZ 3.6Å; Y136-F166 WeakPolarHBondContact O-CD2 3.31Å; Y136-F166 PolarHBondContact O-N 2.89Å; E137-F166 HydrophobicContact CB-CD2 4.07Å; F166-A168 PolarHBondContact O-N 3.49Å; F166-L169 HydrophobicContact CD1-CD1 4.45Å; F166-L169 WeakPolarHBondContact O-CB 3.36Å; F166-L169 PolarHBondContact O-N 2.78Å; F166-I175 HydrophobicContact CB-CD1 4Å; F166-I175 HydrophobicContact CD1-CD1 3.46Å; F166-I175 VanDerWaalsContact CD1-CD1 3.46Å; F166-I175 HydrophobicContact CD1-CG1 4.38Å; F166-I175 HydrophobicContact CD2-CD1 3.57Å; F166-I175 HydrophobicContact CE1-CD1 3.67Å; F166-I175 HydrophobicContact CE1-CG1 4.23Å; F166-I175 HydrophobicContact CE2-CD1 3.8Å; F166-I175 HydrophobicContact CG-CD1 3.4Å; F166-I175 VanDerWaalsContact CG-CD1 3.4Å; F166-I175 HydrophobicContact CZ-CD1 3.83Å; F166-I175 HydrophobicContact CZ-CG1 4.42Å; F166-F179 HydrophobicContact CE1-CB 3.88Å; F166-F179 AromaticContact CE1-CD2 3.86Å; F166-F179 HydrophobicContact CE1-CD2 3.86Å; F166-F179 HydrophobicContact CE1-CG 4.38Å; F166-F179 HydrophobicContact CZ-CD2 4.09Å; F166-V197 HydrophobicContact CE2-CG1 4.31Å; F166-V197 HydrophobicContact CZ-CG1 4.02Å; F166-V199 HydrophobicContact CE2-CG1 3.81Å; F166-V199 HydrophobicContact CZ-CG1 4.28Å; F166-I208 HydrophobicContact CZ-CD1 3.85Å
167S76.2Confident80.6Confident55 Ų5569.5 Ų69.539%0.38539%0.388SS..G310 helixtrans-65.8-26.9-176.155.80000113.5R165 L169 G171R165-S167 PolarHBondContact O-N 3.38Å; S167-L169 PolarHBondContact O-N 3.28Å; S167-G171 WeakPolarHBondContact O-CA 3.36Å; S167-G171 PolarHBondContact O-N 3.18Å
168A72.1Confident81.1Confident76 Ų7667 Ų6763%0.62837%0.37SS*.G310 helixtrans-71.6-10.1179.800000113.5R165 F166R165-A168 HydrophobicContact CB-CB 4.39Å; R165-A168 PolarHBondContact O-N 3.18Å; F166-A168 PolarHBondContact O-N 3.49Å
169L68.3Low81.4Confident23 Ų2362.2 Ų62.212%0.1234%0.339CS..G310 helixtrans-80.3-37.6-176-64.9164.2000112.9L135 Q164 F166 S167 S178 Q181 F182 L185L135-L169 HydrophobicContact CD1-CD1 4.43Å; Q164-L169 HydrophobicContact CG-CD2 4.36Å; F166-L169 HydrophobicContact CD1-CD1 4.45Å; F166-L169 WeakPolarHBondContact O-CB 3.36Å; F166-L169 PolarHBondContact O-N 2.78Å; S167-L169 PolarHBondContact O-N 3.28Å; L169-S178 WeakPolarHBondContact CD1-O 3.27Å; L169-Q181 PolarHBondContact O-NE2 3.48Å; L169-Q181 PolarHBondContact O-OE1 2.96Å; L169-F182 HydrophobicContact CD1-CB 3.73Å; L169-F182 HydrophobicContact CD1-CD2 4.43Å; L169-F182 HydrophobicContact CD1-CG 4.49Å; L169-F182 HydrophobicContact CD2-CB 4.44Å; L169-F182 HydrophobicContact CD2-CD2 4.3Å; L169-L185 HydrophobicContact CD2-CD1 4.44Å
170N66.5Low81.3Confident98 Ų9864.7 Ų64.752%0.52435%0.349SS..THydrogen-bonded Turntrans-150.12.3-175.2-137.2-11.5000115S172 Q181N170-S172 PolarHBondContact O-N 2.68Å; N170-Q181 PolarHBondContact ND2-OE1 3.12Å
171G60.7Low81Confident66 Ų6661 Ų6168%0.6833%0.333SS*.SBendtrans66-6-169.400000115.1S167S167-G171 WeakPolarHBondContact O-CA 3.36Å; S167-G171 PolarHBondContact O-N 3.18Å
172S63.3Low80.9Confident40 Ų4058.8 Ų58.828%0.2832%0.322SS..  trans-71.7130.4177.2-175.80000111N170 N174 S178N170-S172 PolarHBondContact O-N 2.68Å; S172-N174 PolarHBondContact O-N 2.92Å; S172-N174 WeakPolarHBondContact OG-CB 3.23Å; S172-N174 PolarHBondContact OG-N 3.41Å; S172-N174 VanDerWaalsContact OG-N 3.12Å; S172-S178 PolarHBondContact O-OG 3.26Å
173K67.3Low80.7Confident212 Ų21256.1 Ų56.192%0.92231%0.309SS*.SBendtrans-70.4-12.5168.6-67.2-172.4178.8-1760112.4I175K173-I175 PolarHBondContact O-N 2.96Å
174N82Confident80.2Confident82 Ų8255 Ų5544%0.43931%0.309SS..  trans-81.8107.7-179-170.2-24.6000110.9S172 S176 V177 S178S172-N174 PolarHBondContact O-N 2.92Å; S172-N174 WeakPolarHBondContact OG-CB 3.23Å; S172-N174 PolarHBondContact OG-N 3.41Å; S172-N174 VanDerWaalsContact OG-N 3.12Å; N174-S176 PolarHBondContact O-N 3.19Å; N174-S176 VanDerWaalsContact O-N 3.17Å; N174-S176 WeakPolarHBondContact OD1-CB 3.42Å; N174-S176 PolarHBondContact OD1-N 3.3Å; N174-S176 VanDerWaalsContact OD1-N 3.07Å; N174-S176 PolarHBondContact OD1-OG 3.35Å; N174-V177 HydrophobicContact CB-CB 4.45Å; N174-V177 HydrophobicContact CB-CG2 4.1Å; N174-V177 PolarHBondContact O-N 2.93Å; N174-V177 VanDerWaalsContact O-N 3.11Å; N174-S178 PolarHBondContact O-N 3.45Å; N174-S178 PolarHBondContact O-OG 3.47Å
175I83.3Confident80Confident14 Ų1456.6 Ų56.67%0.07232%0.319CS..Hα-helixtrans-54.4-35.6-178.7-162.370.5000113.1F166 K173 V177 F179 V199 K204 T207 I208F166-I175 HydrophobicContact CB-CD1 4Å; F166-I175 HydrophobicContact CD1-CD1 3.46Å; F166-I175 VanDerWaalsContact CD1-CD1 3.46Å; F166-I175 HydrophobicContact CD1-CG1 4.38Å; F166-I175 HydrophobicContact CD2-CD1 3.57Å; F166-I175 HydrophobicContact CE1-CD1 3.67Å; F166-I175 HydrophobicContact CE1-CG1 4.23Å; F166-I175 HydrophobicContact CE2-CD1 3.8Å; F166-I175 HydrophobicContact CG-CD1 3.4Å; F166-I175 VanDerWaalsContact CG-CD1 3.4Å; F166-I175 HydrophobicContact CZ-CD1 3.83Å; F166-I175 HydrophobicContact CZ-CG1 4.42Å; K173-I175 PolarHBondContact O-N 2.96Å; I175-V177 PolarHBondContact O-N 3.42Å; I175-F179 WeakPolarHBondContact O-CB 3.29Å; I175-F179 PolarHBondContact O-N 2.79Å; I175-V199 HydrophobicContact CD1-CG1 4.24Å; I175-V199 HydrophobicContact CG1-CG1 4.44Å; I175-K204 HydrophobicContact CG2-CB 4.45Å; I175-K204 HydrophobicContact CG2-CG 4.35Å; I175-T207 HydrophobicContact CG2-CG2 4.04Å; I175-I208 HydrophobicContact CG1-CD1 4.16Å; I175-I208 HydrophobicContact CG1-CG1 4.35Å
176S83.6Confident79.8Confident23 Ų2351.2 Ų51.216%0.16130%0.299CS..Hα-helixtrans-66.2-38.7-17966.90000112.3N174 K180N174-S176 PolarHBondContact O-N 3.19Å; N174-S176 VanDerWaalsContact O-N 3.17Å; N174-S176 WeakPolarHBondContact OD1-CB 3.42Å; N174-S176 PolarHBondContact OD1-N 3.3Å; N174-S176 VanDerWaalsContact OD1-N 3.07Å; N174-S176 PolarHBondContact OD1-OG 3.35Å; S176-K180 WeakPolarHBondContact O-CB 3.5Å; S176-K180 VanDerWaalsContact O-CG 3.25Å; S176-K180 WeakPolarHBondContact O-CG 3.36Å; S176-K180 PolarHBondContact O-N 3.48Å
177V85Confident79.6Confident58 Ų5852.5 Ų52.535%0.35231%0.313SS..Hα-helixtrans-70.7-50179.7177.20000109.6N174 I175 F179 K180 Q181N174-V177 HydrophobicContact CB-CB 4.45Å; N174-V177 HydrophobicContact CB-CG2 4.1Å; N174-V177 PolarHBondContact O-N 2.93Å; N174-V177 VanDerWaalsContact O-N 3.11Å; I175-V177 PolarHBondContact O-N 3.42Å; V177-F179 VanDerWaalsContact C-N 3.31Å; V177-F179 PolarHBondContact O-N 3.1Å; V177-K180 PolarHBondContact O-N 2.94Å; V177-Q181 PolarHBondContact O-N 3.35Å
178S85.3Confident79.9Confident1 Ų156.6 Ų56.61%0.00733%0.326CS..Hα-helixtrans-60-42.7177.9-57.40000111L169 S172 N174 Q181 F182L169-S178 WeakPolarHBondContact CD1-O 3.27Å; S172-S178 PolarHBondContact O-OG 3.26Å; N174-S178 PolarHBondContact O-N 3.45Å; N174-S178 PolarHBondContact O-OG 3.47Å; S178-Q181 PolarHBondContact O-N 3.06Å; S178-F182 PolarHBondContact O-N 2.94Å
179F89.1Confident80.5Confident1 Ų156.7 Ų56.70%0.00431%0.31CS..Hα-helixtrans-63.6-46175.9-174.1-93.8000112.8L135 F166 I175 V177 Q181 F182 H183 I208 L212 Y224L135-F179 HydrophobicContact CD2-CD2 4.14Å; L135-F179 HydrophobicContact CD2-CE2 4.33Å; F166-F179 HydrophobicContact CE1-CB 3.88Å; F166-F179 AromaticContact CE1-CD2 3.86Å; F166-F179 HydrophobicContact CE1-CD2 3.86Å; F166-F179 HydrophobicContact CE1-CG 4.38Å; F166-F179 HydrophobicContact CZ-CD2 4.09Å; I175-F179 WeakPolarHBondContact O-CB 3.29Å; I175-F179 PolarHBondContact O-N 2.79Å; V177-F179 VanDerWaalsContact C-N 3.31Å; V177-F179 PolarHBondContact O-N 3.1Å; F179-Q181 VanDerWaalsContact C-N 3.28Å; F179-Q181 PolarHBondContact O-N 2.79Å; F179-F182 PolarHBondContact O-N 3.02Å; F179-H183 HydrophobicContact CE1-CB 4.27Å; F179-H183 WeakPolarHBondContact O-CB 3.16Å; F179-H183 PolarHBondContact O-N 3.01Å; F179-I208 HydrophobicContact CB-CG1 4.34Å; F179-I208 HydrophobicContact CD1-CG2 4.05Å; F179-I208 HydrophobicContact CD2-CB 4.49Å; F179-I208 HydrophobicContact CD2-CD1 4.24Å; F179-I208 HydrophobicContact CD2-CG1 4.08Å; F179-I208 HydrophobicContact CD2-CG2 3.7Å; F179-I208 HydrophobicContact CE1-CG2 3.86Å; F179-I208 HydrophobicContact CE2-CG2 3.47Å; F179-I208 VanDerWaalsContact CE2-CG2 3.47Å; F179-I208 HydrophobicContact CG-CG1 4.09Å; F179-I208 HydrophobicContact CG-CG2 3.99Å; F179-I208 HydrophobicContact CZ-CG2 3.55Å; F179-L212 HydrophobicContact CE1-CD1 4.21Å; F179-L212 HydrophobicContact CE1-CD2 3.51Å; F179-L212 HydrophobicContact CE1-CG 3.55Å; F179-L212 HydrophobicContact CZ-CD1 3.93Å; F179-L212 HydrophobicContact CZ-CD2 3.7Å; F179-L212 HydrophobicContact CZ-CG 3.78Å; F179-Y224 HydrophobicContact CE2-CD1 4.18Å; F179-Y224 AromaticContact CE2-CE1 3.95Å; F179-Y224 HydrophobicContact CE2-CE1 3.95Å; F179-Y224 HydrophobicContact CZ-CD1 4.05Å; F179-Y224 AromaticContact CZ-CE1 3.74Å; F179-Y224 HydrophobicContact CZ-CE1 3.74Å
180K86.4Confident81Confident93 Ų9365.1 Ų65.140%0.40435%0.346SS..Hα-helixtrans-59.9-38.7178.4-78.6175.6178.7-174.10112.2S176 V177 H183 S184 E214S176-K180 WeakPolarHBondContact O-CB 3.5Å; S176-K180 VanDerWaalsContact O-CG 3.25Å; S176-K180 WeakPolarHBondContact O-CG 3.36Å; S176-K180 PolarHBondContact O-N 3.48Å; V177-K180 PolarHBondContact O-N 2.94Å; K180-H183 PolarHBondContact O-N 3.26Å; K180-S184 PolarHBondContact O-N 3.46Å; K180-E214 WeakPolarHBondContact CE-OE2 3.3Å; K180-E214 IonicContact NZ-OE2 3.2Å; K180-E214 PolarHBondContact NZ-OE2 3.49Å
181Q85.1Confident81.7Confident62 Ų6262.5 Ų62.529%0.2934%0.343SS..Hα-helixtrans-66.7-46.5175-173.7-179.4-1.700111.8L169 N170 V177 S178 F179 H183 S184 L185L169-Q181 PolarHBondContact O-NE2 3.48Å; L169-Q181 PolarHBondContact O-OE1 2.96Å; N170-Q181 PolarHBondContact ND2-OE1 3.12Å; V177-Q181 PolarHBondContact O-N 3.35Å; S178-Q181 PolarHBondContact O-N 3.06Å; F179-Q181 VanDerWaalsContact C-N 3.28Å; F179-Q181 PolarHBondContact O-N 2.79Å; Q181-H183 VanDerWaalsContact C-N 3.29Å; Q181-H183 PolarHBondContact O-N 3.39Å; Q181-S184 WeakPolarHBondContact O-CB 3.28Å; Q181-S184 PolarHBondContact O-N 3.21Å; Q181-L185 HydrophobicContact CG-CD1 4.46Å; Q181-L185 WeakPolarHBondContact O-CG 3.41Å; Q181-L185 PolarHBondContact O-N 3.35Å
182F89.7Confident82.8Confident4 Ų465.9 Ų65.92%0.01835%0.345CS..Hα-helixtrans-57.4-44.9173.7178.8-91.6000111.5I133 L135 Q164 L169 S178 F179 S184 L185 C186 V195 Y224I133-F182 HydrophobicContact CD1-CZ 4.47Å; I133-F182 HydrophobicContact CG2-CE2 4.17Å; I133-F182 HydrophobicContact CG2-CZ 3.96Å; L135-F182 HydrophobicContact CD1-CD2 4.07Å; L135-F182 HydrophobicContact CD1-CE2 4.32Å; L135-F182 HydrophobicContact CD1-CG 4.35Å; L135-F182 HydrophobicContact CD2-CD1 3.74Å; L135-F182 HydrophobicContact CD2-CD2 4.37Å; L135-F182 HydrophobicContact CD2-CE1 4.03Å; L135-F182 HydrophobicContact CD2-CG 3.93Å; L135-F182 HydrophobicContact CD2-CZ 4.45Å; Q164-F182 HydrophobicContact CB-CE2 4.48Å; Q164-F182 HydrophobicContact CG-CD2 4.08Å; Q164-F182 HydrophobicContact CG-CE2 4.01Å; L169-F182 HydrophobicContact CD1-CB 3.73Å; L169-F182 HydrophobicContact CD1-CD2 4.43Å; L169-F182 HydrophobicContact CD1-CG 4.49Å; L169-F182 HydrophobicContact CD2-CB 4.44Å; L169-F182 HydrophobicContact CD2-CD2 4.3Å; S178-F182 PolarHBondContact O-N 2.94Å; F179-F182 PolarHBondContact O-N 3.02Å; F182-S184 VanDerWaalsContact C-N 3.3Å; F182-S184 PolarHBondContact O-N 2.97Å; F182-L185 PolarHBondContact O-N 3.5Å; F182-C186 HydrophobicContact CD1-CB 4.38Å; F182-C186 HydrophobicContact CE1-CB 4.02Å; F182-C186 HydrophobicContact CZ-CB 4.45Å; F182-C186 VanDerWaalsContact O-CB 3.28Å; F182-C186 WeakPolarHBondContact O-CB 3.47Å; F182-C186 PolarHBondContact O-N 3.46Å; F182-V195 HydrophobicContact CE1-CB 4.37Å; F182-V195 HydrophobicContact CE1-CG1 3.63Å; F182-V195 HydrophobicContact CE1-CG2 3.9Å; F182-V195 HydrophobicContact CZ-CG1 3.79Å; F182-V195 HydrophobicContact CZ-CG2 4.02Å; F182-Y224 HydrophobicContact CD1-CE1 4.43Å; F182-Y224 HydrophobicContact CE1-CE1 4.15Å
183H88.7Confident84.2Confident17 Ų1765.4 Ų65.48%0.07934%0.338CS..Hα-helixtrans-57.9-42.4179-177.275.9000111.9F179 K180 Q181 C186 G187 S215 Y224F179-H183 HydrophobicContact CE1-CB 4.27Å; F179-H183 WeakPolarHBondContact O-CB 3.16Å; F179-H183 PolarHBondContact O-N 3.01Å; K180-H183 PolarHBondContact O-N 3.26Å; Q181-H183 VanDerWaalsContact C-N 3.29Å; Q181-H183 PolarHBondContact O-N 3.39Å; H183-C186 PolarHBondContact O-N 2.78Å; H183-G187 PolarHBondContact O-N 2.84Å; H183-G187 VanDerWaalsContact O-N 3.16Å; H183-S215 PolarHBondContact NE2-OG 2.72Å; H183-Y224 AromaticContact ND1-CE2 3.67Å; H183-Y224 AromaticContact ND1-CZ 3.51Å; H183-Y224 PolarHBondContact ND1-OH 3.08Å
184S85.2Confident85.4Confident70 Ų7056.2 Ų56.249%0.4930%0.3SS..Hα-helixtrans-61.9-48.5174.3-176.90000112.2K180 Q181 F182 C186 G187 Q188K180-S184 PolarHBondContact O-N 3.46Å; Q181-S184 WeakPolarHBondContact O-CB 3.28Å; Q181-S184 PolarHBondContact O-N 3.21Å; F182-S184 VanDerWaalsContact C-N 3.3Å; F182-S184 PolarHBondContact O-N 2.97Å; S184-C186 VanDerWaalsContact C-N 3.33Å; S184-C186 PolarHBondContact O-N 3.01Å; S184-G187 PolarHBondContact O-N 3.26Å; S184-Q188 PolarHBondContact O-N 3.23Å
185L85.7Confident86Confident74 Ų7452.3 Ų52.339%0.38728%0.279SS..Hα-helixtrans-62.7-39.8177.6-68.4170.9000112.1L169 Q181 F182 G187 Q188 R189L169-L185 HydrophobicContact CD2-CD1 4.44Å; Q181-L185 HydrophobicContact CG-CD1 4.46Å; Q181-L185 WeakPolarHBondContact O-CG 3.41Å; Q181-L185 PolarHBondContact O-N 3.35Å; F182-L185 PolarHBondContact O-N 3.5Å; L185-G187 VanDerWaalsContact C-N 3.26Å; L185-G187 PolarHBondContact O-N 2.94Å; L185-Q188 WeakPolarHBondContact O-CB 3.4Å; L185-Q188 PolarHBondContact O-N 2.84Å; L185-R189 PolarHBondContact O-N 2.87Å
186C87.4Confident86.6Confident1 Ų151.9 Ų51.91%0.00728%0.277CS..Hα-helixtrans-61.1-37.8178.2-162.20000110.9F182 H183 S184 Q188 R189 C222F182-C186 HydrophobicContact CD1-CB 4.38Å; F182-C186 HydrophobicContact CE1-CB 4.02Å; F182-C186 HydrophobicContact CZ-CB 4.45Å; F182-C186 VanDerWaalsContact O-CB 3.28Å; F182-C186 WeakPolarHBondContact O-CB 3.47Å; F182-C186 PolarHBondContact O-N 3.46Å; H183-C186 PolarHBondContact O-N 2.78Å; S184-C186 VanDerWaalsContact C-N 3.33Å; S184-C186 PolarHBondContact O-N 3.01Å; C186-Q188 VanDerWaalsContact C-N 3.27Å; C186-Q188 PolarHBondContact O-N 3.06Å; C186-R189 PolarHBondContact O-N 3.49Å; C186-C222 HydrophobicContact CB-CB 4.23Å; C186-C222 WeakPolarHBondContact CB-SG 3.31Å; C186-C222 PolarHBondContact O-SG 3.41Å; C186-C222 VanDerWaalsContact O-SG 3.34Å; C186-C222 WeakPolarHBondContact SG-CB 3.45Å; C186-C222 CovalentContact SG-SG 2.01Å; C186-C222 PolarHBondContact SG-SG 2.98Å
187G80.6Confident87.1Confident32 Ų3250.9 Ų50.933%0.3327%0.27SS..Hα-helixtrans-65.7-23.8174.100000115.2H183 S184 L185H183-G187 PolarHBondContact O-N 2.84Å; H183-G187 VanDerWaalsContact O-N 3.16Å; S184-G187 PolarHBondContact O-N 3.26Å; L185-G187 VanDerWaalsContact C-N 3.26Å; L185-G187 PolarHBondContact O-N 2.94Å
188Q82.7Confident87.5Confident142 Ų14248.8 Ų48.866%0.66426%0.256SS*.Hα-helixtrans-83.9-17177.4-63.1174.6-3.200112.9S184 L185 C186S184-Q188 PolarHBondContact O-N 3.23Å; L185-Q188 WeakPolarHBondContact O-CB 3.4Å; L185-Q188 PolarHBondContact O-N 2.84Å; C186-Q188 VanDerWaalsContact C-N 3.27Å; C186-Q188 PolarHBondContact O-N 3.06Å
189R85Confident87.7Confident77 Ų7748.9 Ų48.929%0.29126%0.257SS..SBendtrans-71.6140.1179.7-67.9-174.9176.6-156.2-0.2111.1E162 L185 C186 Q193E162-R189 VanDerWaalsContact CD-NH1 3.25Å; E162-R189 IonicContact OE1-CZ 2.72Å; E162-R189 VanDerWaalsContact OE1-CZ 3.31Å; E162-R189 IonicContact OE1-NH1 3.81Å; E162-R189 PolarHBondContact OE1-NH1 3.12Å; E162-R189 IonicContact OE1-NH2 2.78Å; E162-R189 PolarHBondContact OE1-NH2 3.35Å; E162-R189 IonicContact OE2-CZ 3.1Å; E162-R189 IonicContact OE2-NH1 3.88Å; E162-R189 PolarHBondContact OE2-NH1 2.85Å; L185-R189 PolarHBondContact O-N 2.87Å; C186-R189 PolarHBondContact O-N 3.49Å; R189-Q193 HydrophobicContact CB-CG 4Å
190K79.5Confident87.3Confident200 Ų20051 Ų5187%0.8727%0.268SS*.SBendtrans-74.9135.4175.1-69.8-173.6-179.8-179.30110.6Q193K190-Q193 PolarHBondContact O-NE2 2.79Å; K190-Q193 VanDerWaalsContact O-NE2 3.11Å
191G80.3Confident87Confident44 Ų4447.5 Ų47.545%0.45426%0.255SS..SBendtrans83165.8178.200000113.9Q193G191-Q193 PolarHBondContact O-N 2.96Å; G191-Q193 PolarHBondContact O-NE2 2.8Å; G191-Q193 VanDerWaalsContact O-NE2 3.17Å
192N84.7Confident86.7Confident136 Ų13645 Ų4573%0.72724%0.244SC*.  trans-69.3118.3178.9-68.3-10.1000110
193Q90.7Very high86.2Confident30 Ų3047.6 Ų47.614%0.1427%0.266CS..EExtended strand (participates in β ladder)trans-94.3135.3174.1-53.3-56.3-58.400109.2I133 R189 K190 G191 V195 N221 C222 H223I133-Q193 HydrophobicContact CD1-CB 4.15Å; I133-Q193 HydrophobicContact CD1-CG 4.4Å; R189-Q193 HydrophobicContact CB-CG 4Å; K190-Q193 PolarHBondContact O-NE2 2.79Å; K190-Q193 VanDerWaalsContact O-NE2 3.11Å; G191-Q193 PolarHBondContact O-N 2.96Å; G191-Q193 PolarHBondContact O-NE2 2.8Å; G191-Q193 VanDerWaalsContact O-NE2 3.17Å; Q193-V195 HydrophobicContact CB-CG2 4.49Å; Q193-N221 PolarHBondContact N-O 2.81Å; Q193-C222 CarbonylContact O-C 3.27Å; Q193-C222 WeakPolarHBondContact O-CA 3.49Å; Q193-H223 PolarHBondContact O-N 3.42Å
194V93.6Very high86.1Confident20 Ų2049.1 Ų49.112%0.12127%0.273CS..EExtended strand (participates in β ladder)trans-107123.3168-1760000107.8L129 I133 H223 I225L129-V194 HydrophobicContact CD1-CG1 3.91Å; L129-V194 HydrophobicContact CD2-CG2 4.11Å; I133-V194 PolarHBondContact N-O 2.84Å; V194-H223 WeakPolarHBondContact CA-O 3.35Å; V194-H223 HydrophobicContact CG2-CB 4.38Å; V194-I225 HydrophobicContact CG1-CD1 3.62Å; V194-I225 HydrophobicContact CG1-CG1 4.14Å
195V94.4Very high86.2Confident0 Ų045.9 Ų45.90%025%0.25CC..EExtended strand (participates in β ladder)trans-117.3110.4-173.6-172.80000108.3I133 L135 F182 Q193 V197 C222 H223 Y224 I225I133-V195 HydrophobicContact CB-CG2 4.39Å; I133-V195 HydrophobicContact CD1-CG2 4.31Å; I133-V195 CarbonylContact O-C 3.58Å; I133-V195 VanDerWaalsContact O-CA 3.31Å; I133-V195 WeakPolarHBondContact O-CA 3.35Å; L135-V195 HydrophobicContact CB-CG1 3.93Å; L135-V195 HydrophobicContact CD2-CG1 4.45Å; F182-V195 HydrophobicContact CE1-CB 4.37Å; F182-V195 HydrophobicContact CE1-CG1 3.63Å; F182-V195 HydrophobicContact CE1-CG2 3.9Å; F182-V195 HydrophobicContact CZ-CG1 3.79Å; F182-V195 HydrophobicContact CZ-CG2 4.02Å; Q193-V195 HydrophobicContact CB-CG2 4.49Å; V195-V197 HydrophobicContact CG1-CG2 3.89Å; V195-C222 HydrophobicContact CG2-CB 4.4Å; V195-H223 PolarHBondContact N-O 2.56Å; V195-Y224 HydrophobicContact CB-CD1 3.87Å; V195-Y224 HydrophobicContact CB-CE1 4.07Å; V195-Y224 HydrophobicContact CG1-CD1 4.12Å; V195-Y224 HydrophobicContact CG1-CE1 4.19Å; V195-Y224 HydrophobicContact CG2-CD1 4.43Å; V195-Y224 HydrophobicContact CG2-CE1 4.2Å; V195-Y224 CarbonylContact O-C 2.98Å; V195-Y224 WeakPolarHBondContact O-CA 3.49Å; V195-I225 PolarHBondContact O-N 3.08Å
196L95.2Very high86.1Confident4 Ų444.2 Ų44.22%0.02124%0.24CC..EExtended strand (participates in β ladder)trans-87117.2172.4-172.266.5000108.2V120 I132 I133 F134 L135 I225 A227V120-L196 HydrophobicContact CG1-CD1 3.81Å; V120-L196 HydrophobicContact CG1-CD2 3.89Å; I132-L196 HydrophobicContact CG2-CB 3.77Å; I133-L196 PolarHBondContact O-N 3.46Å; F134-L196 HydrophobicContact CD2-CB 3.95Å; F134-L196 HydrophobicContact CD2-CD2 3.68Å; F134-L196 HydrophobicContact CD2-CG 3.86Å; F134-L196 HydrophobicContact CE2-CD2 3.85Å; F134-L196 HydrophobicContact CE2-CG 4.04Å; L135-L196 PolarHBondContact N-O 2.76Å; L196-I225 CarbonylContact C-O 3.49Å; L196-I225 WeakPolarHBondContact CA-O 3.44Å; L196-I225 HydrophobicContact CD1-CB 3.76Å; L196-I225 HydrophobicContact CD1-CG2 3.59Å; L196-A227 HydrophobicContact CD1-CB 3.61Å; L196-A227 HydrophobicContact CD2-CB 4.29Å; L196-A227 HydrophobicContact CG-CB 3.7Å
197V94.7Very high86Confident2 Ų246.6 Ų46.61%0.01226%0.255CS..EExtended strand (participates in β ladder)trans-108.2118.8-172.1-176.20000110.1L135 F166 V195 I208 Y224 I225 M226 A227L135-V197 HydrophobicContact CD2-CG2 4.36Å; L135-V197 WeakPolarHBondContact O-CA 3.35Å; F166-V197 HydrophobicContact CE2-CG1 4.31Å; F166-V197 HydrophobicContact CZ-CG1 4.02Å; V195-V197 HydrophobicContact CG1-CG2 3.89Å; V197-I208 HydrophobicContact CG1-CD1 3.93Å; V197-Y224 HydrophobicContact CG2-CD1 3.93Å; V197-I225 PolarHBondContact N-O 3.14Å; V197-M226 HydrophobicContact CB-SD 3.94Å; V197-M226 HydrophobicContact CG1-SD 4.29Å; V197-M226 HydrophobicContact CG2-SD 4.42Å; V197-A227 WeakPolarHBondContact O-CB 3.5Å; V197-A227 PolarHBondContact O-N 2.72Å
198H93.2Very high86.5Confident14 Ų1445.1 Ų45.17%0.06524%0.239CC..EExtended strand (participates in β ladder)trans-118.8130.9175.8-174.5-75.5000111.3F134 L135 Y136 E137 G141 A227F134-H198 HydrophobicContact CE2-CB 3.95Å; F134-H198 HydrophobicContact CZ-CB 3.72Å; L135-H198 PolarHBondContact O-N 2.98Å; Y136-H198 WeakPolarHBondContact CA-O 3.08Å; E137-H198 PolarHBondContact N-O 2.62Å; G141-H198 VanDerWaalsContact CA-ND1 3.3Å; G141-H198 WeakPolarHBondContact CA-ND1 3.3Å; H198-A227 HydrophobicContact CB-CB 4.25Å; H198-A227 PolarHBondContact CD2-O 3.13Å
199V89.5Confident86.8Confident3 Ų338.3 Ų38.32%0.01821%0.207CC..  trans-135.7156.9176.8-68.40000111F166 I175 S201 K204 V205 I208 T228F166-V199 HydrophobicContact CE2-CG1 3.81Å; F166-V199 HydrophobicContact CZ-CG1 4.28Å; I175-V199 HydrophobicContact CD1-CG1 4.24Å; I175-V199 HydrophobicContact CG1-CG1 4.44Å; V199-S201 VanDerWaalsContact C-N 3.26Å; V199-S201 PolarHBondContact O-N 3.16Å; V199-K204 HydrophobicContact CB-CB 3.98Å; V199-K204 HydrophobicContact CB-CD 4.48Å; V199-K204 HydrophobicContact CG1-CB 4.33Å; V199-K204 HydrophobicContact CG2-CB 3.92Å; V199-V205 HydrophobicContact CG2-CB 4.49Å; V199-V205 HydrophobicContact CG2-CG2 3.41Å; V199-V205 VanDerWaalsContact CG2-CG2 3.41Å; V199-I208 HydrophobicContact CG1-CD1 3.63Å; V199-T228 HydrophobicContact CG2-CG2 4.28Å; V199-T228 PolarHBondContact N-OG1 2.87Å; V199-T228 WeakPolarHBondContact O-CG2 3.39Å; V199-T228 PolarHBondContact O-OG1 2.98Å
200D81.4Confident86.8Confident45 Ų4539.4 Ų39.424%0.24121%0.214CC..SBendtrans-830.1-169.7-51.1-29.1000113.9K74 E137 S138K74-D200 PolarHBondContact NZ-O 3.2Å; E137-D200 PolarHBondContact OE2-N 3Å; E137-D200 VanDerWaalsContact OE2-N 3.07Å; S138-D200 WeakPolarHBondContact CB-OD1 3.41Å; S138-D200 WeakPolarHBondContact CB-OD2 3.17Å; S138-D200 PolarHBondContact OG-OD1 3.31Å; S138-D200 PolarHBondContact OG-OD2 3.44Å
201S78.9Confident87.1Confident20 Ų2030.3 Ų30.314%0.1418%0.176CC..  trans-151.4139.7-174.2178.60000112.1V199 A203 K204 V205 E282V199-S201 VanDerWaalsContact C-N 3.26Å; V199-S201 PolarHBondContact O-N 3.16Å; S201-A203 PolarHBondContact O-N 2.87Å; S201-A203 PolarHBondContact OG-N 2.73Å; S201-K204 WeakPolarHBondContact O-CB 3.37Å; S201-K204 PolarHBondContact O-N 2.78Å; S201-V205 PolarHBondContact O-N 3.28Å; S201-E282 WeakPolarHBondContact CA-OE1 3.5Å; S201-E282 WeakPolarHBondContact CB-OE1 3.5Å; S201-E282 PolarHBondContact OG-OE1 3.24Å
202L80.2Confident87.5Confident10 Ų1028.2 Ų28.25%0.05215%0.154CC..Hα-helixtrans-58.2-33.6177.6-53.8167.8000111.2M113 K204 V205 E206 L229 T280 E282 Y285M113-L202 HydrophobicContact CE-CD2 4.24Å; L202-K204 VanDerWaalsContact C-N 3.32Å; L202-K204 PolarHBondContact O-N 2.79Å; L202-V205 WeakPolarHBondContact O-CB 3.16Å; L202-V205 PolarHBondContact O-N 3.48Å; L202-E206 PolarHBondContact O-N 2.99Å; L202-L229 HydrophobicContact CD2-CB 3.83Å; L202-L229 WeakPolarHBondContact CD2-O 3.28Å; L202-T280 VanDerWaalsContact CD1-O 3.25Å; L202-T280 WeakPolarHBondContact CD1-O 3.32Å; L202-E282 HydrophobicContact CD1-CG 3.76Å; L202-E282 HydrophobicContact CG-CG 4.17Å; L202-Y285 HydrophobicContact CD1-CD2 4.2Å; L202-Y285 HydrophobicContact CD1-CE2 3.87Å
203A78.2Confident87.4Confident58 Ų5823.8 Ų23.848%0.47913%0.13SC..Hα-helixtrans-68.8-29.517900000113S201 E206 T207S201-A203 PolarHBondContact O-N 2.87Å; S201-A203 PolarHBondContact OG-N 2.73Å; A203-E206 PolarHBondContact O-N 2.92Å; A203-T207 PolarHBondContact O-N 3.17Å; A203-T207 VanDerWaalsContact O-N 3.12Å; A203-T207 PolarHBondContact O-OG1 3.41Å
204K86.1Confident86.9Confident50 Ų5028.9 Ų28.922%0.21715%0.154CC..Hα-helixtrans-72-33.9175.6-64.8179.8-171.7173.20110.9E137 I175 V199 S201 L202 E206 T207 I208E137-K204 WeakPolarHBondContact OE1-CE 3.33Å; E137-K204 IonicContact OE1-NZ 3.59Å; E137-K204 PolarHBondContact OE1-NZ 2.81Å; E137-K204 WeakPolarHBondContact OE2-CD 3.42Å; E137-K204 IonicContact OE2-NZ 2.68Å; E137-K204 PolarHBondContact OE2-NZ 3.01Å; I175-K204 HydrophobicContact CG2-CB 4.45Å; I175-K204 HydrophobicContact CG2-CG 4.35Å; V199-K204 HydrophobicContact CB-CB 3.98Å; V199-K204 HydrophobicContact CB-CD 4.48Å; V199-K204 HydrophobicContact CG1-CB 4.33Å; V199-K204 HydrophobicContact CG2-CB 3.92Å; S201-K204 WeakPolarHBondContact O-CB 3.37Å; S201-K204 PolarHBondContact O-N 2.78Å; L202-K204 VanDerWaalsContact C-N 3.32Å; L202-K204 PolarHBondContact O-N 2.79Å; K204-E206 VanDerWaalsContact C-N 3.35Å; K204-E206 PolarHBondContact O-N 2.85Å; K204-T207 WeakPolarHBondContact O-CB 3.16Å; K204-T207 PolarHBondContact O-N 3.09Å; K204-T207 VanDerWaalsContact O-N 3.16Å; K204-I208 WeakPolarHBondContact O-CG1 3.48Å; K204-I208 PolarHBondContact O-N 3.32Å
205V88.5Confident85.8Confident2 Ų229.1 Ų29.11%0.01216%0.157CC..Hα-helixtrans-58-48.3171.4-178.80000110.3V199 S201 L202 T207 I208 L209 M226 T228V199-V205 HydrophobicContact CG2-CB 4.49Å; V199-V205 HydrophobicContact CG2-CG2 3.41Å; V199-V205 VanDerWaalsContact CG2-CG2 3.41Å; S201-V205 PolarHBondContact O-N 3.28Å; L202-V205 WeakPolarHBondContact O-CB 3.16Å; L202-V205 PolarHBondContact O-N 3.48Å; V205-T207 VanDerWaalsContact C-N 3.28Å; V205-T207 PolarHBondContact O-N 3.45Å; V205-I208 PolarHBondContact O-N 3.11Å; V205-L209 HydrophobicContact CG1-CD1 4.03Å; V205-L209 HydrophobicContact CG1-CG 4.48Å; V205-L209 WeakPolarHBondContact O-CG 3.28Å; V205-L209 PolarHBondContact O-N 3.35Å; V205-M226 HydrophobicContact CG1-CG 4.41Å; V205-T228 HydrophobicContact CG2-CG2 3.91Å
206E83.8Confident84.5Confident39 Ų3934.8 Ų34.818%0.18218%0.178CC..Hα-helixtrans-60.3-38.7176.2-63.3-160.316700112.8L202 A203 K204 I208 L209 K210 M235L202-E206 PolarHBondContact O-N 2.99Å; A203-E206 PolarHBondContact O-N 2.92Å; K204-E206 VanDerWaalsContact C-N 3.35Å; K204-E206 PolarHBondContact O-N 2.85Å; E206-I208 VanDerWaalsContact C-N 3.34Å; E206-L209 PolarHBondContact O-N 3.34Å; E206-K210 WeakPolarHBondContact O-CB 3.49Å; E206-K210 VanDerWaalsContact O-CG 3.22Å; E206-K210 WeakPolarHBondContact O-CG 3.43Å; E206-K210 PolarHBondContact O-N 3.47Å; E206-K210 IonicContact OE2-NZ 3.88Å; E206-K210 PolarHBondContact OE2-NZ 2.97Å; E206-M235 HydrophobicContact CB-CE 3.92Å; E206-M235 HydrophobicContact CB-SD 4.38Å; E206-M235 HydrophobicContact CG-CE 3.67Å; E206-M235 HydrophobicContact CG-SD 4.44Å
207T85.8Confident82.8Confident51 Ų5137.8 Ų37.831%0.31321%0.21SC..Hα-helixtrans-65.6-40179.8-58.20000111.2I175 A203 K204 V205 S211I175-T207 HydrophobicContact CG2-CG2 4.04Å; A203-T207 PolarHBondContact O-N 3.17Å; A203-T207 VanDerWaalsContact O-N 3.12Å; A203-T207 PolarHBondContact O-OG1 3.41Å; K204-T207 WeakPolarHBondContact O-CB 3.16Å; K204-T207 PolarHBondContact O-N 3.09Å; K204-T207 VanDerWaalsContact O-N 3.16Å; V205-T207 VanDerWaalsContact C-N 3.28Å; V205-T207 PolarHBondContact O-N 3.45Å; T207-S211 WeakPolarHBondContact O-CB 3.14Å; T207-S211 PolarHBondContact O-N 3.11Å; T207-S211 PolarHBondContact O-OG 2.65Å
208I90.4Very high81.3Confident0 Ų041 Ų410%023%0.232CC..Hα-helixtrans-65.7-48174.6-71.5171.6000110.5F166 I175 F179 V197 V199 K204 V205 E206 K210 S211 L212 M226F166-I208 HydrophobicContact CZ-CD1 3.85Å; I175-I208 HydrophobicContact CG1-CD1 4.16Å; I175-I208 HydrophobicContact CG1-CG1 4.35Å; F179-I208 HydrophobicContact CB-CG1 4.34Å; F179-I208 HydrophobicContact CD1-CG2 4.05Å; F179-I208 HydrophobicContact CD2-CB 4.49Å; F179-I208 HydrophobicContact CD2-CD1 4.24Å; F179-I208 HydrophobicContact CD2-CG1 4.08Å; F179-I208 HydrophobicContact CD2-CG2 3.7Å; F179-I208 HydrophobicContact CE1-CG2 3.86Å; F179-I208 HydrophobicContact CE2-CG2 3.47Å; F179-I208 VanDerWaalsContact CE2-CG2 3.47Å; F179-I208 HydrophobicContact CG-CG1 4.09Å; F179-I208 HydrophobicContact CG-CG2 3.99Å; F179-I208 HydrophobicContact CZ-CG2 3.55Å; V197-I208 HydrophobicContact CG1-CD1 3.93Å; V199-I208 HydrophobicContact CG1-CD1 3.63Å; K204-I208 WeakPolarHBondContact O-CG1 3.48Å; K204-I208 PolarHBondContact O-N 3.32Å; V205-I208 PolarHBondContact O-N 3.11Å; E206-I208 VanDerWaalsContact C-N 3.34Å; I208-K210 PolarHBondContact O-N 3.44Å; I208-S211 WeakPolarHBondContact O-CB 3.33Å; I208-S211 PolarHBondContact O-N 2.76Å; I208-S211 VanDerWaalsContact O-N 3.13Å; I208-L212 HydrophobicContact CG2-CD1 4.38Å; I208-L212 PolarHBondContact O-N 3.36Å; I208-M226 HydrophobicContact CG2-CE 3.81Å
209L89Confident79.7Confident0 Ų043.9 Ų43.90%025%0.251CS..Hα-helixtrans-62.5-40.9177.8-71.2173.3000111.9V205 E206 S211 L212 L213 M226 A231 M235 M236 F239 I246V205-L209 HydrophobicContact CG1-CD1 4.03Å; V205-L209 HydrophobicContact CG1-CG 4.48Å; V205-L209 WeakPolarHBondContact O-CG 3.28Å; V205-L209 PolarHBondContact O-N 3.35Å; E206-L209 PolarHBondContact O-N 3.34Å; L209-S211 VanDerWaalsContact C-N 3.32Å; L209-S211 PolarHBondContact O-N 2.87Å; L209-L212 HydrophobicContact CD2-CD1 4.4Å; L209-L212 PolarHBondContact O-N 2.89Å; L209-L213 WeakPolarHBondContact O-CG 3.41Å; L209-L213 PolarHBondContact O-N 3.15Å; L209-M226 HydrophobicContact CD2-CE 3.52Å; L209-M226 HydrophobicContact CG-CE 4.05Å; L209-A231 HydrophobicContact CD1-CB 3.87Å; L209-M235 HydrophobicContact CB-CG 4.18Å; L209-M235 HydrophobicContact CB-SD 3.48Å; L209-M235 WeakPolarHBondContact CB-SD 3.13Å; L209-M235 HydrophobicContact CD1-CG 4.13Å; L209-M235 HydrophobicContact CD1-SD 3.42Å; L209-M235 WeakPolarHBondContact CD1-SD 3.44Å; L209-M235 HydrophobicContact CG-SD 4.08Å; L209-M236 HydrophobicContact CD2-SD 4.39Å; L209-F239 HydrophobicContact CB-CE2 4.38Å; L209-F239 HydrophobicContact CB-CZ 4.23Å; L209-F239 HydrophobicContact CD2-CE2 3.92Å; L209-F239 HydrophobicContact CD2-CZ 3.92Å; L209-F239 WeakPolarHBondContact O-CZ 3.41Å; L209-I246 HydrophobicContact CD2-CD1 4.39Å; L209-I246 HydrophobicContact CD2-CG2 4.05Å
210K85.4Confident78.6Confident100 Ų10044.6 Ų44.644%0.43526%0.255SS..Hα-helixtrans-59.8-42.2172.3-74.7165.6-171.1153.20111.7E206 I208 L212 L213 E214E206-K210 WeakPolarHBondContact O-CB 3.49Å; E206-K210 VanDerWaalsContact O-CG 3.22Å; E206-K210 WeakPolarHBondContact O-CG 3.43Å; E206-K210 PolarHBondContact O-N 3.47Å; E206-K210 IonicContact OE2-NZ 3.88Å; E206-K210 PolarHBondContact OE2-NZ 2.97Å; I208-K210 PolarHBondContact O-N 3.44Å; K210-L212 VanDerWaalsContact C-N 3.32Å; K210-L212 PolarHBondContact O-N 2.89Å; K210-L213 WeakPolarHBondContact O-CB 3.26Å; K210-L213 PolarHBondContact O-N 2.95Å; K210-E214 WeakPolarHBondContact O-CG 3.35Å; K210-E214 PolarHBondContact O-N 2.93Å; K210-E214 VanDerWaalsContact O-N 3.13Å
211S86.2Confident78.5Confident8 Ų844.4 Ų44.46%0.05625%0.254CS..Hα-helixtrans-63.7-36.1175.6-58.50000112.5T207 I208 L209 E214 S215T207-S211 WeakPolarHBondContact O-CB 3.14Å; T207-S211 PolarHBondContact O-N 3.11Å; T207-S211 PolarHBondContact O-OG 2.65Å; I208-S211 WeakPolarHBondContact O-CB 3.33Å; I208-S211 PolarHBondContact O-N 2.76Å; I208-S211 VanDerWaalsContact O-N 3.13Å; L209-S211 VanDerWaalsContact C-N 3.32Å; L209-S211 PolarHBondContact O-N 2.87Å; S211-E214 PolarHBondContact O-N 2.84Å; S211-S215 PolarHBondContact O-N 2.92Å
212L87.5Confident78.9Confident0 Ų043.6 Ų43.60%025%0.248CC..Hα-helixtrans-70.3-35.8173.4-73.3172.6000112.6F179 I208 L209 K210 E214 S215 R216 Y224 M226 F239 L244 I246F179-L212 HydrophobicContact CE1-CD1 4.21Å; F179-L212 HydrophobicContact CE1-CD2 3.51Å; F179-L212 HydrophobicContact CE1-CG 3.55Å; F179-L212 HydrophobicContact CZ-CD1 3.93Å; F179-L212 HydrophobicContact CZ-CD2 3.7Å; F179-L212 HydrophobicContact CZ-CG 3.78Å; I208-L212 HydrophobicContact CG2-CD1 4.38Å; I208-L212 PolarHBondContact O-N 3.36Å; L209-L212 HydrophobicContact CD2-CD1 4.4Å; L209-L212 PolarHBondContact O-N 2.89Å; K210-L212 VanDerWaalsContact C-N 3.32Å; K210-L212 PolarHBondContact O-N 2.89Å; L212-E214 VanDerWaalsContact C-N 3.27Å; L212-E214 PolarHBondContact O-N 3.29Å; L212-S215 CarbonylContact O-C 3.57Å; L212-S215 PolarHBondContact O-N 3.41Å; L212-S215 VanDerWaalsContact O-N 3.14Å; L212-S215 PolarHBondContact O-OG 2.97Å; L212-R216 PolarHBondContact O-N 3.48Å; L212-Y224 HydrophobicContact CD1-CD2 4.18Å; L212-Y224 HydrophobicContact CD1-CG 4.32Å; L212-Y224 HydrophobicContact CD2-CD2 4.12Å; L212-Y224 HydrophobicContact CD2-CE2 3.86Å; L212-M226 HydrophobicContact CD1-CE 4.05Å; L212-F239 HydrophobicContact CB-CE1 3.66Å; L212-F239 HydrophobicContact CB-CZ 3.94Å; L212-L244 HydrophobicContact CB-CD1 4.02Å; L212-L244 HydrophobicContact CD2-CD1 4.12Å; L212-L244 VanDerWaalsContact O-CD1 3.3Å; L212-L244 WeakPolarHBondContact O-CD1 3.28Å; L212-I246 HydrophobicContact CB-CD1 4.49Å; L212-I246 HydrophobicContact CD1-CD1 3.89Å
213L83.1Confident79.5Confident43 Ų4344.1 Ų44.123%0.22525%0.251CS..Hα-helixtrans-63.1-36.1174.9-75.4169.5000111.5L209 K210 S215 R216 G238 F239L209-L213 WeakPolarHBondContact O-CG 3.41Å; L209-L213 PolarHBondContact O-N 3.15Å; K210-L213 WeakPolarHBondContact O-CB 3.26Å; K210-L213 PolarHBondContact O-N 2.95Å; L213-S215 VanDerWaalsContact C-N 3.29Å; L213-S215 PolarHBondContact O-N 3.07Å; L213-R216 WeakPolarHBondContact O-CB 3.25Å; L213-R216 VanDerWaalsContact O-CD 3.25Å; L213-R216 WeakPolarHBondContact O-CD 3.4Å; L213-R216 WeakPolarHBondContact O-CG 3.43Å; L213-R216 PolarHBondContact O-N 3.37Å; L213-G238 WeakPolarHBondContact CD2-O 3.37Å; L213-F239 HydrophobicContact CB-CE1 4.4Å; L213-F239 HydrophobicContact CB-CZ 4.49Å; L213-F239 HydrophobicContact CD1-CE2 4.38Å; L213-F239 HydrophobicContact CD1-CZ 4.33Å; L213-F239 HydrophobicContact CD2-CD1 3.65Å; L213-F239 HydrophobicContact CD2-CD2 3.89Å; L213-F239 HydrophobicContact CD2-CE1 3.55Å; L213-F239 HydrophobicContact CD2-CE2 3.81Å; L213-F239 HydrophobicContact CD2-CG 3.84Å; L213-F239 HydrophobicContact CD2-CZ 3.68Å; L213-F239 HydrophobicContact CG-CD1 4.29Å; L213-F239 HydrophobicContact CG-CD2 4.46Å; L213-F239 HydrophobicContact CG-CE1 3.66Å; L213-F239 HydrophobicContact CG-CE2 3.87Å; L213-F239 HydrophobicContact CG-CZ 3.47Å; L213-F239 VanDerWaalsContact CG-CZ 3.47Å
214E79.7Confident80.3Confident138 Ų13841.4 Ų41.465%0.64523%0.228SC*.Hα-helixtrans-64.9-32.5173.9-69171.9-174.600112.1K180 K210 S211 L212K180-E214 WeakPolarHBondContact CE-OE2 3.3Å; K180-E214 IonicContact NZ-OE2 3.2Å; K180-E214 PolarHBondContact NZ-OE2 3.49Å; K210-E214 WeakPolarHBondContact O-CG 3.35Å; K210-E214 PolarHBondContact O-N 2.93Å; K210-E214 VanDerWaalsContact O-N 3.13Å; S211-E214 PolarHBondContact O-N 2.84Å; L212-E214 VanDerWaalsContact C-N 3.27Å; L212-E214 PolarHBondContact O-N 3.29Å
215S71.6Confident80.7Confident25 Ų2539.1 Ų39.118%0.17522%0.218CC..THydrogen-bonded Turntrans-96.17.5178.969.90000115H183 S211 L212 L213 G217 S218H183-S215 PolarHBondContact NE2-OG 2.72Å; S211-S215 PolarHBondContact O-N 2.92Å; L212-S215 CarbonylContact O-C 3.57Å; L212-S215 PolarHBondContact O-N 3.41Å; L212-S215 VanDerWaalsContact O-N 3.14Å; L212-S215 PolarHBondContact O-OG 2.97Å; L213-S215 VanDerWaalsContact C-N 3.29Å; L213-S215 PolarHBondContact O-N 3.07Å; S215-G217 PolarHBondContact O-N 2.77Å; S215-S218 PolarHBondContact O-N 2.85Å
216R66.7Low81Confident118 Ų11839.2 Ų39.245%0.44522%0.218SC..THydrogen-bonded Turntrans-57.2-15-172.271.7-174.2172.5174.7-2.8116.6L212 L213 T243 L244L212-R216 PolarHBondContact O-N 3.48Å; L213-R216 WeakPolarHBondContact O-CB 3.25Å; L213-R216 VanDerWaalsContact O-CD 3.25Å; L213-R216 WeakPolarHBondContact O-CD 3.4Å; L213-R216 WeakPolarHBondContact O-CG 3.43Å; L213-R216 PolarHBondContact O-N 3.37Å; R216-T243 PolarHBondContact O-N 3.06Å; R216-T243 VanDerWaalsContact O-N 3.15Å; R216-T243 PolarHBondContact O-OG1 2.88Å; R216-L244 HydrophobicContact CB-CD1 4.47Å
217G58.7Low81.4Confident67 Ų6737.4 Ų37.469%0.69121%0.21SC*.THydrogen-bonded Turntrans-86-14.2177.500000114.4S215S215-G217 PolarHBondContact O-N 2.77Å
218S63.5Low81.5Confident70 Ų7035.5 Ų35.549%0.4920%0.198SC..SBendtrans-93.5120.5179.6-63.30000109.7S215 V220 T243S215-S218 PolarHBondContact O-N 2.85Å; S218-V220 PolarHBondContact O-N 3.04Å; S218-V220 VanDerWaalsContact O-N 3.12Å; S218-T243 VanDerWaalsContact C-OG1 3.31Å; S218-T243 PolarHBondContact O-OG1 2.96Å; S218-T243 VanDerWaalsContact O-OG1 3.12Å
219V59.2Low81.1Confident75 Ų7535.8 Ų35.846%0.45520%0.2SC..  trans-70108.8171.5-179.30000107.7T243 Y385V219-T243 HydrophobicContact CG2-CG2 3.77Å; V219-T243 PolarHBondContact N-OG1 3.22Å; V219-Y385 HydrophobicContact CG2-CE1 4.49Å
220V67Low80.6Confident17 Ų1735.9 Ų35.910%0.10320%0.201CC..  trans-110.5134.9176.7-179.70000107.9S218 C222 L244S218-V220 PolarHBondContact O-N 3.04Å; S218-V220 VanDerWaalsContact O-N 3.12Å; V220-C222 HydrophobicContact CG1-CB 3.79Å; V220-C222 VanDerWaalsContact CG1-SG 3.56Å; V220-C222 PolarHBondContact O-N 3.38Å; V220-L244 HydrophobicContact CB-CD2 4.28Å
221N78.3Confident80.3Confident41 Ų4131.1 Ų31.122%0.21918%0.18CC..SBendtrans-72.436.7178.6-67.2-23.7000112.6Q193 K387Q193-N221 PolarHBondContact N-O 2.81Å; N221-K387 PolarHBondContact OD1-NZ 3.17Å
222C88.7Confident79.9Confident3 Ų331 Ų312%0.0218%0.179CC..EExtended strand (participates in β ladder)trans-128.5125.5-171.6-56.40000111C186 Q193 V195 V220 Y224C186-C222 HydrophobicContact CB-CB 4.23Å; C186-C222 WeakPolarHBondContact CB-SG 3.31Å; C186-C222 PolarHBondContact O-SG 3.41Å; C186-C222 VanDerWaalsContact O-SG 3.34Å; C186-C222 WeakPolarHBondContact SG-CB 3.45Å; C186-C222 CovalentContact SG-SG 2.01Å; C186-C222 PolarHBondContact SG-SG 2.98Å; Q193-C222 CarbonylContact O-C 3.27Å; Q193-C222 WeakPolarHBondContact O-CA 3.49Å; V195-C222 HydrophobicContact CG2-CB 4.4Å; V220-C222 HydrophobicContact CG1-CB 3.79Å; V220-C222 VanDerWaalsContact CG1-SG 3.56Å; V220-C222 PolarHBondContact O-N 3.38Å; C222-Y224 HydrophobicContact CB-CE2 3.75Å
223H92.5Very high79.5Confident22 Ų2233.9 Ų33.910%0.10219%0.192CC..EExtended strand (participates in β ladder)trans-100.4109.7171.1-176.4175.6000108.5Q193 V194 V195 N245 T247 E382Q193-H223 PolarHBondContact O-N 3.42Å; V194-H223 WeakPolarHBondContact CA-O 3.35Å; V194-H223 HydrophobicContact CG2-CB 4.38Å; V195-H223 PolarHBondContact N-O 2.56Å; H223-N245 CarbonylContact C-O 3.59Å; H223-N245 WeakPolarHBondContact CA-O 3.26Å; H223-N245 HydrophobicContact CB-CB 3.81Å; H223-N245 PolarHBondContact CD2-O 3.45Å; H223-T247 PolarHBondContact NE2-OG1 3.32Å; H223-E382 IonicContact CE1-OE1 3.19Å; H223-E382 PolarHBondContact CE1-OE1 3.3Å; H223-E382 IonicContact NE2-OE1 2.77Å
224Y94Very high79.1Confident0 Ų036.6 Ų36.60%021%0.211CC..EExtended strand (participates in β ladder)trans-86.7124.4178.6-62.9-81.2000110.3F179 F182 H183 V195 V197 L212 C222 N245 I246 T247F179-Y224 HydrophobicContact CE2-CD1 4.18Å; F179-Y224 AromaticContact CE2-CE1 3.95Å; F179-Y224 HydrophobicContact CE2-CE1 3.95Å; F179-Y224 HydrophobicContact CZ-CD1 4.05Å; F179-Y224 AromaticContact CZ-CE1 3.74Å; F179-Y224 HydrophobicContact CZ-CE1 3.74Å; F182-Y224 HydrophobicContact CD1-CE1 4.43Å; F182-Y224 HydrophobicContact CE1-CE1 4.15Å; H183-Y224 AromaticContact ND1-CE2 3.67Å; H183-Y224 AromaticContact ND1-CZ 3.51Å; H183-Y224 PolarHBondContact ND1-OH 3.08Å; V195-Y224 HydrophobicContact CB-CD1 3.87Å; V195-Y224 HydrophobicContact CB-CE1 4.07Å; V195-Y224 HydrophobicContact CG1-CD1 4.12Å; V195-Y224 HydrophobicContact CG1-CE1 4.19Å; V195-Y224 HydrophobicContact CG2-CD1 4.43Å; V195-Y224 HydrophobicContact CG2-CE1 4.2Å; V195-Y224 CarbonylContact O-C 2.98Å; V195-Y224 WeakPolarHBondContact O-CA 3.49Å; V197-Y224 HydrophobicContact CG2-CD1 3.93Å; L212-Y224 HydrophobicContact CD1-CD2 4.18Å; L212-Y224 HydrophobicContact CD1-CG 4.32Å; L212-Y224 HydrophobicContact CD2-CD2 4.12Å; L212-Y224 HydrophobicContact CD2-CE2 3.86Å; C222-Y224 HydrophobicContact CB-CE2 3.75Å; Y224-N245 PolarHBondContact N-O 2.63Å; Y224-I246 CarbonylContact O-C 3.6Å; Y224-I246 VanDerWaalsContact O-CA 3.27Å; Y224-I246 WeakPolarHBondContact O-CA 3.45Å; Y224-T247 PolarHBondContact O-N 2.87Å
225I95.2Very high79Confident3 Ų331.1 Ų31.12%0.01519%0.186CC..EExtended strand (participates in β ladder)trans-111.3117.6171.4-56.5178.7000106.7I123 L129 V194 V195 L196 V197 A227 T247I123-I225 HydrophobicContact CG2-CD1 4.2Å; L129-I225 HydrophobicContact CD1-CD1 3.86Å; V194-I225 HydrophobicContact CG1-CD1 3.62Å; V194-I225 HydrophobicContact CG1-CG1 4.14Å; V195-I225 PolarHBondContact O-N 3.08Å; L196-I225 CarbonylContact C-O 3.49Å; L196-I225 WeakPolarHBondContact CA-O 3.44Å; L196-I225 HydrophobicContact CD1-CB 3.76Å; L196-I225 HydrophobicContact CD1-CG2 3.59Å; V197-I225 PolarHBondContact N-O 3.14Å; I225-A227 PolarHBondContact O-N 3.24Å; I225-T247 CarbonylContact C-O 3.57Å; I225-T247 WeakPolarHBondContact CA-O 3.34Å
226M94.2Very high79.6Confident3 Ų330 Ų302%0.01518%0.177CC..EExtended strand (participates in β ladder)trans-78.6110.4177.9-58.7-56.517600109.3V197 V205 I208 L209 L212 T228 I246 T247 A248V197-M226 HydrophobicContact CB-SD 3.94Å; V197-M226 HydrophobicContact CG1-SD 4.29Å; V197-M226 HydrophobicContact CG2-SD 4.42Å; V205-M226 HydrophobicContact CG1-CG 4.41Å; I208-M226 HydrophobicContact CG2-CE 3.81Å; L209-M226 HydrophobicContact CD2-CE 3.52Å; L209-M226 HydrophobicContact CG-CE 4.05Å; L212-M226 HydrophobicContact CD1-CE 4.05Å; M226-T228 PolarHBondContact O-N 2.87Å; M226-I246 HydrophobicContact CE-CG2 4.46Å; M226-T247 PolarHBondContact N-O 2.83Å; M226-A248 HydrophobicContact CB-CB 4.08Å; M226-A248 HydrophobicContact CG-CB 4.09Å
227A92Very high80.3Confident2 Ų227.8 Ų27.82%0.01717%0.172CC..  trans-86.516.4174.600000112.9V120 M144 L196 V197 H198 I225V120-A227 HydrophobicContact CG2-CB 4.48Å; M144-A227 HydrophobicContact CE-CB 3.65Å; M144-A227 HydrophobicContact SD-CB 4.17Å; L196-A227 HydrophobicContact CD1-CB 3.61Å; L196-A227 HydrophobicContact CD2-CB 4.29Å; L196-A227 HydrophobicContact CG-CB 3.7Å; V197-A227 WeakPolarHBondContact O-CB 3.5Å; V197-A227 PolarHBondContact O-N 2.72Å; H198-A227 HydrophobicContact CB-CB 4.25Å; H198-A227 PolarHBondContact CD2-O 3.13Å; I225-A227 PolarHBondContact O-N 3.24Å
228T88.2Confident81.3Confident10 Ų1026 Ų266%0.06115%0.154CC..SBendtrans-132.4137.1174-49.90000107.4V199 V205 M226V199-T228 HydrophobicContact CG2-CG2 4.28Å; V199-T228 PolarHBondContact N-OG1 2.87Å; V199-T228 WeakPolarHBondContact O-CG2 3.39Å; V199-T228 PolarHBondContact O-OG1 2.98Å; V205-T228 HydrophobicContact CG2-CG2 3.91Å; M226-T228 PolarHBondContact O-N 2.87Å
229L83.7Confident82.2Confident6 Ų622.7 Ų22.73%0.03113%0.131CC..SBendtrans-58.2161.1170.2-73.7168.2000110.1I116 L202 V249I116-L229 HydrophobicContact CD1-CG 4.25Å; I116-L229 HydrophobicContact CG2-CD1 3.74Å; I116-L229 HydrophobicContact CG2-CD2 3.8Å; I116-L229 HydrophobicContact CG2-CG 3.64Å; L202-L229 HydrophobicContact CD2-CB 3.83Å; L202-L229 WeakPolarHBondContact CD2-O 3.28Å; L229-V249 HydrophobicContact CD2-CB 4.11Å; L229-V249 HydrophobicContact CD2-CG1 3.82Å
230G76.6Confident83Confident2 Ų221.1 Ų21.12%0.02112%0.117CC..  trans126.9-6.6173.200000115.3
231A80.7Confident83.1Confident0 Ų023.2 Ų23.20%013%0.13CC..  trans-74.6135.7162.500000109.6L209 M236 A248 H250L209-A231 HydrophobicContact CD1-CB 3.87Å; A231-M236 HydrophobicContact CB-CG 4.21Å; A231-M236 HydrophobicContact CB-SD 4.3Å; A231-A248 HydrophobicContact CB-CB 3.33Å; A231-H250 PolarHBondContact O-ND1 2.97Å
232N77.7Confident82.7Confident7 Ų721.2 Ų21.24%0.03712%0.12CC..  trans-109.7161.2168.463.352.3000110.2V234 M235 M236 T277N232-V234 PolarHBondContact O-N 3.45Å; N232-V234 PolarHBondContact OD1-N 3.39Å; N232-M235 PolarHBondContact O-N 2.86Å; N232-M235 VanDerWaalsContact OD1-CB 3.22Å; N232-M235 WeakPolarHBondContact OD1-CB 3.16Å; N232-M235 PolarHBondContact OD1-N 3.43Å; N232-M236 PolarHBondContact O-N 2.86Å; N232-M236 VanDerWaalsContact O-N 3.15Å; N232-T277 VanDerWaalsContact ND2-CG2 3.29Å; N232-T277 WeakPolarHBondContact ND2-CG2 3.28Å
233E77.9Confident82.1Confident59 Ų5921.2 Ų21.228%0.27612%0.12SC..Hα-helixtrans-55.2-50.8-177.8-170.4179.6142.600111.8M235 M236 E237 L381 K396E233-M235 VanDerWaalsContact C-N 3.26Å; E233-M235 PolarHBondContact O-N 3.03Å; E233-M236 CarbonylContact O-C 3.5Å; E233-M236 WeakPolarHBondContact O-CA 3.28Å; E233-M236 WeakPolarHBondContact O-CB 3.46Å; E233-M236 PolarHBondContact O-N 3.39Å; E233-E237 HydrophobicContact CG-CG 4.34Å; E233-E237 VanDerWaalsContact O-CG 3.3Å; E233-E237 WeakPolarHBondContact O-CG 3.44Å; E233-E237 PolarHBondContact O-N 2.76Å; E233-L381 HydrophobicContact CB-CD1 4.18Å; E233-L381 HydrophobicContact CG-CD1 4.47Å; E233-K396 WeakPolarHBondContact OE1-CE 3.45Å; E233-K396 IonicContact OE1-NZ 3.86Å; E233-K396 PolarHBondContact OE1-NZ 3.23Å; E233-K396 IonicContact OE2-NZ 2.75Å; E233-K396 PolarHBondContact OE2-NZ 3.16Å
234V74.8Confident81.8Confident101 Ų10120.2 Ų20.261%0.61212%0.115SC*.Hα-helixtrans-53.9-41.1-178.8-179.90000112.5N232 E237 G238N232-V234 PolarHBondContact O-N 3.45Å; N232-V234 PolarHBondContact OD1-N 3.39Å; V234-E237 PolarHBondContact O-N 3.33Å; V234-G238 PolarHBondContact O-N 3.32Å
235M77.4Confident81.6Confident23 Ų2322.2 Ų22.211%0.11313%0.125CC..Hα-helixtrans-68.9-41.6178.4-171.4173.4-5600111.4E206 L209 N232 E233 E237 G238 F239E206-M235 HydrophobicContact CB-CE 3.92Å; E206-M235 HydrophobicContact CB-SD 4.38Å; E206-M235 HydrophobicContact CG-CE 3.67Å; E206-M235 HydrophobicContact CG-SD 4.44Å; L209-M235 HydrophobicContact CB-CG 4.18Å; L209-M235 HydrophobicContact CB-SD 3.48Å; L209-M235 WeakPolarHBondContact CB-SD 3.13Å; L209-M235 HydrophobicContact CD1-CG 4.13Å; L209-M235 HydrophobicContact CD1-SD 3.42Å; L209-M235 WeakPolarHBondContact CD1-SD 3.44Å; L209-M235 HydrophobicContact CG-SD 4.08Å; N232-M235 PolarHBondContact O-N 2.86Å; N232-M235 VanDerWaalsContact OD1-CB 3.22Å; N232-M235 WeakPolarHBondContact OD1-CB 3.16Å; N232-M235 PolarHBondContact OD1-N 3.43Å; E233-M235 VanDerWaalsContact C-N 3.26Å; E233-M235 PolarHBondContact O-N 3.03Å; M235-E237 VanDerWaalsContact C-N 3.31Å; M235-E237 PolarHBondContact O-N 2.92Å; M235-G238 PolarHBondContact O-N 3.47Å; M235-F239 WeakPolarHBondContact O-CD2 3.46Å
236M84.6Confident81.5Confident0 Ų022 Ų220%013%0.125CC..Hα-helixtrans-66-33.8176.6-68-62.6-67.900111.8L209 A231 N232 E233 G238 F239 I246 A248 L381 V383 F394L209-M236 HydrophobicContact CD2-SD 4.39Å; A231-M236 HydrophobicContact CB-CG 4.21Å; A231-M236 HydrophobicContact CB-SD 4.3Å; N232-M236 PolarHBondContact O-N 2.86Å; N232-M236 VanDerWaalsContact O-N 3.15Å; E233-M236 CarbonylContact O-C 3.5Å; E233-M236 WeakPolarHBondContact O-CA 3.28Å; E233-M236 WeakPolarHBondContact O-CB 3.46Å; E233-M236 PolarHBondContact O-N 3.39Å; M236-G238 PolarHBondContact O-N 3.05Å; M236-F239 PolarHBondContact O-N 2.95Å; M236-I246 HydrophobicContact CE-CB 4.09Å; M236-I246 HydrophobicContact CE-CG2 3.78Å; M236-I246 HydrophobicContact SD-CG2 4.11Å; M236-A248 HydrophobicContact CE-CB 4.09Å; M236-A248 HydrophobicContact SD-CB 3.89Å; M236-L381 HydrophobicContact CB-CB 4.48Å; M236-L381 HydrophobicContact CB-CD1 4.23Å; M236-L381 HydrophobicContact CE-CB 4.36Å; M236-L381 HydrophobicContact CG-CB 4.22Å; M236-L381 HydrophobicContact CG-CD1 3.99Å; M236-V383 HydrophobicContact CE-CG2 4.07Å; M236-F394 HydrophobicContact CB-CE2 3.94Å; M236-F394 HydrophobicContact CB-CZ 4.42Å
237E81.8Confident81.5Confident73 Ų7321.9 Ų21.934%0.34112%0.124SC..Hα-helixtrans-61.9-29.4174.3-61.1-158.713100113E233 V234 M235 F239 K240 F394E233-E237 HydrophobicContact CG-CG 4.34Å; E233-E237 VanDerWaalsContact O-CG 3.3Å; E233-E237 WeakPolarHBondContact O-CG 3.44Å; E233-E237 PolarHBondContact O-N 2.76Å; V234-E237 PolarHBondContact O-N 3.33Å; M235-E237 VanDerWaalsContact C-N 3.31Å; M235-E237 PolarHBondContact O-N 2.92Å; E237-F239 PolarHBondContact O-N 3.29Å; E237-K240 HydrophobicContact CB-CD 4.05Å; E237-K240 WeakPolarHBondContact O-CB 3.22Å; E237-K240 WeakPolarHBondContact O-CD 3.46Å; E237-K240 WeakPolarHBondContact O-CG 3.47Å; E237-K240 PolarHBondContact O-N 2.86Å; E237-K240 IonicContact OE1-NZ 2.92Å; E237-K240 PolarHBondContact OE1-NZ 3.18Å; E237-K240 IonicContact OE2-NZ 2.78Å; E237-F394 HydrophobicContact CG-CZ 4.4Å
238G78.9Confident81.5Confident29 Ų2921.9 Ų21.930%0.29912%0.124SC..THydrogen-bonded Turntrans-60.2-17.6176.700000114.5L213 V234 M235 M236L213-G238 WeakPolarHBondContact CD2-O 3.37Å; V234-G238 PolarHBondContact O-N 3.32Å; M235-G238 PolarHBondContact O-N 3.47Å; M236-G238 PolarHBondContact O-N 3.05Å
239F83.5Confident81.5Confident1 Ų121.5 Ų21.50%0.00412%0.121CC..THydrogen-bonded Turntrans-93.5-4.7178.7-63.4-84.5000114.3L209 L212 L213 M235 M236 E237 V241 G242 L244 I246 V383L209-F239 HydrophobicContact CB-CE2 4.38Å; L209-F239 HydrophobicContact CB-CZ 4.23Å; L209-F239 HydrophobicContact CD2-CE2 3.92Å; L209-F239 HydrophobicContact CD2-CZ 3.92Å; L209-F239 WeakPolarHBondContact O-CZ 3.41Å; L212-F239 HydrophobicContact CB-CE1 3.66Å; L212-F239 HydrophobicContact CB-CZ 3.94Å; L213-F239 HydrophobicContact CB-CE1 4.4Å; L213-F239 HydrophobicContact CB-CZ 4.49Å; L213-F239 HydrophobicContact CD1-CE2 4.38Å; L213-F239 HydrophobicContact CD1-CZ 4.33Å; L213-F239 HydrophobicContact CD2-CD1 3.65Å; L213-F239 HydrophobicContact CD2-CD2 3.89Å; L213-F239 HydrophobicContact CD2-CE1 3.55Å; L213-F239 HydrophobicContact CD2-CE2 3.81Å; L213-F239 HydrophobicContact CD2-CG 3.84Å; L213-F239 HydrophobicContact CD2-CZ 3.68Å; L213-F239 HydrophobicContact CG-CD1 4.29Å; L213-F239 HydrophobicContact CG-CD2 4.46Å; L213-F239 HydrophobicContact CG-CE1 3.66Å; L213-F239 HydrophobicContact CG-CE2 3.87Å; L213-F239 HydrophobicContact CG-CZ 3.47Å; L213-F239 VanDerWaalsContact CG-CZ 3.47Å; M235-F239 WeakPolarHBondContact O-CD2 3.46Å; M236-F239 PolarHBondContact O-N 2.95Å; E237-F239 PolarHBondContact O-N 3.29Å; F239-V241 PolarHBondContact O-N 3.41Å; F239-G242 PolarHBondContact O-N 3.29Å; F239-L244 HydrophobicContact CD1-CD1 4.35Å; F239-L244 HydrophobicContact CE1-CD1 4.25Å; F239-I246 HydrophobicContact CD1-CD1 3.38Å; F239-I246 HydrophobicContact CD2-CD1 4.01Å; F239-I246 HydrophobicContact CE1-CD1 3.26Å; F239-I246 HydrophobicContact CE2-CD1 3.9Å; F239-I246 HydrophobicContact CG-CD1 3.74Å; F239-I246 HydrophobicContact CZ-CD1 3.49Å; F239-I246 VanDerWaalsContact CZ-CD1 3.49Å; F239-V383 HydrophobicContact CB-CB 4.37Å; F239-V383 HydrophobicContact CB-CG1 3.96Å; F239-V383 HydrophobicContact CB-CG2 3.95Å
240K75.4Confident81.6Confident41 Ų4122.4 Ų22.418%0.17813%0.125CC..THydrogen-bonded Turntrans-54.5-26.4179.1-71.7169.4176.3178.20113.7E237 T392 F394 F414E237-K240 HydrophobicContact CB-CD 4.05Å; E237-K240 WeakPolarHBondContact O-CB 3.22Å; E237-K240 WeakPolarHBondContact O-CD 3.46Å; E237-K240 WeakPolarHBondContact O-CG 3.47Å; E237-K240 PolarHBondContact O-N 2.86Å; E237-K240 IonicContact OE1-NZ 2.92Å; E237-K240 PolarHBondContact OE1-NZ 3.18Å; E237-K240 IonicContact OE2-NZ 2.78Å; K240-T392 WeakPolarHBondContact O-CB 3.48Å; K240-T392 WeakPolarHBondContact O-CG2 3.45Å; K240-F394 HydrophobicContact CG-CB 4.3Å; K240-F394 HydrophobicContact CG-CD2 4.2Å; K240-F394 HydrophobicContact CG-CG 4.41Å; K240-F414 HydrophobicContact CB-CD2 4.06Å; K240-F414 HydrophobicContact CB-CE2 4.01Å; K240-F414 HydrophobicContact CB-CG 4.45Å; K240-F414 HydrophobicContact CB-CZ 4.34Å; K240-F414 HydrophobicContact CD-CE1 4.29Å; K240-F414 HydrophobicContact CD-CE2 3.72Å; K240-F414 HydrophobicContact CD-CZ 3.55Å; K240-F414 HydrophobicContact CG-CD2 4.15Å; K240-F414 HydrophobicContact CG-CE2 3.64Å; K240-F414 HydrophobicContact CG-CZ 4.01Å
241V68.4Low81.6Confident61 Ų6123.4 Ų23.437%0.3713%0.129SC..THydrogen-bonded Turntrans-1023.3-178.8-166.20000112.1F239 R416F239-V241 PolarHBondContact O-N 3.41Å; V241-R416 PolarHBondContact O-NH2 2.93Å
242G70Confident81Confident0 Ų024.6 Ų24.60%014%0.136CC..SBendtrans-91.1-179.7-176.200000114.7F239 T392 R416F239-G242 PolarHBondContact O-N 3.29Å; G242-T392 PolarHBondContact O-OG1 3.25Å; G242-R416 PolarHBondContact O-NH2 3.06Å
243T77.5Confident80.2Confident3 Ų325.3 Ų25.32%0.01814%0.141CC..SBendtrans-112.824.3172.552.20000113R216 S218 V219 Y385R216-T243 PolarHBondContact O-N 3.06Å; R216-T243 VanDerWaalsContact O-N 3.15Å; R216-T243 PolarHBondContact O-OG1 2.88Å; S218-T243 VanDerWaalsContact C-OG1 3.31Å; S218-T243 PolarHBondContact O-OG1 2.96Å; S218-T243 VanDerWaalsContact O-OG1 3.12Å; V219-T243 HydrophobicContact CG2-CG2 3.77Å; V219-T243 PolarHBondContact N-OG1 3.22Å; T243-Y385 HydrophobicContact CG2-CD1 4.3Å; T243-Y385 HydrophobicContact CG2-CE1 4.06Å; T243-Y385 HydrophobicContact CG2-CE2 4.31Å
244L85.7Confident79.1Confident0 Ų030.1 Ų30.10%016%0.158CC..  trans-107.5142.4-173.8-64.4175000110.2L212 R216 V220 F239 I246L212-L244 HydrophobicContact CB-CD1 4.02Å; L212-L244 HydrophobicContact CD2-CD1 4.12Å; L212-L244 VanDerWaalsContact O-CD1 3.3Å; L212-L244 WeakPolarHBondContact O-CD1 3.28Å; R216-L244 HydrophobicContact CB-CD1 4.47Å; V220-L244 HydrophobicContact CB-CD2 4.28Å; F239-L244 HydrophobicContact CD1-CD1 4.35Å; F239-L244 HydrophobicContact CE1-CD1 4.25Å; L244-I246 HydrophobicContact CB-CD1 4.27Å; L244-I246 HydrophobicContact CB-CG1 4.23Å
245N89.9Confident78.3Confident42 Ų4230.1 Ų30.123%0.22515%0.152CC..EExtended strand (participates in β ladder)trans-98.7118.6172.8-66.3-4000108.6H223 Y224 V383 Y385H223-N245 CarbonylContact C-O 3.59Å; H223-N245 WeakPolarHBondContact CA-O 3.26Å; H223-N245 HydrophobicContact CB-CB 3.81Å; H223-N245 PolarHBondContact CD2-O 3.45Å; Y224-N245 PolarHBondContact N-O 2.63Å; N245-V383 CarbonylContact C-O 3.55Å; N245-V383 VanDerWaalsContact CA-O 3.27Å; N245-V383 WeakPolarHBondContact CA-O 3.46Å; N245-Y385 WeakPolarHBondContact OD1-CA 3.35Å; N245-Y385 WeakPolarHBondContact OD1-CB 3.48Å; N245-Y385 PolarHBondContact OD1-N 3.11Å; N245-Y385 PolarHBondContact OD1-O 2.86Å
246I92.5Very high77.5Confident0 Ų030.7 Ų30.70%016%0.163CC..EExtended strand (participates in β ladder)trans-137.5128.5-176.1-50.7178.8000109.5L209 L212 Y224 M226 M236 F239 L244 E382 V383L209-I246 HydrophobicContact CD2-CD1 4.39Å; L209-I246 HydrophobicContact CD2-CG2 4.05Å; L212-I246 HydrophobicContact CB-CD1 4.49Å; L212-I246 HydrophobicContact CD1-CD1 3.89Å; Y224-I246 CarbonylContact O-C 3.6Å; Y224-I246 VanDerWaalsContact O-CA 3.27Å; Y224-I246 WeakPolarHBondContact O-CA 3.45Å; M226-I246 HydrophobicContact CE-CG2 4.46Å; M236-I246 HydrophobicContact CE-CB 4.09Å; M236-I246 HydrophobicContact CE-CG2 3.78Å; M236-I246 HydrophobicContact SD-CG2 4.11Å; F239-I246 HydrophobicContact CD1-CD1 3.38Å; F239-I246 HydrophobicContact CD2-CD1 4.01Å; F239-I246 HydrophobicContact CE1-CD1 3.26Å; F239-I246 HydrophobicContact CE2-CD1 3.9Å; F239-I246 HydrophobicContact CG-CD1 3.74Å; F239-I246 HydrophobicContact CZ-CD1 3.49Å; F239-I246 VanDerWaalsContact CZ-CD1 3.49Å; L244-I246 HydrophobicContact CB-CD1 4.27Å; L244-I246 HydrophobicContact CB-CG1 4.23Å; I246-E382 CarbonylContact O-C 3.47Å; I246-E382 WeakPolarHBondContact O-CA 3.49Å; I246-V383 PolarHBondContact N-O 2.95Å; I246-V383 PolarHBondContact O-N 3.13Å
247T93.9Very high76.3Confident0 Ų041.8 Ų41.80%021%0.205CC..EExtended strand (participates in β ladder)trans-117.8132169.1-540000108.7I123 H223 Y224 I225 M226 V380 L381 E382I123-T247 HydrophobicContact CD1-CG2 4.23Å; H223-T247 PolarHBondContact NE2-OG1 3.32Å; Y224-T247 PolarHBondContact O-N 2.87Å; I225-T247 CarbonylContact C-O 3.57Å; I225-T247 WeakPolarHBondContact CA-O 3.34Å; M226-T247 PolarHBondContact N-O 2.83Å; T247-V380 HydrophobicContact CG2-CG1 3.66Å; T247-L381 CarbonylContact C-O 3.59Å; T247-L381 WeakPolarHBondContact CA-O 2.96Å; T247-E382 PolarHBondContact OG1-OE1 3.37Å
248A92.5Very high75.5Confident1 Ų143.2 Ų43.21%0.00822%0.223CC..EExtended strand (participates in β ladder)trans-140.3154.717600000111.3M226 A231 M236 L381M226-A248 HydrophobicContact CB-CB 4.08Å; M226-A248 HydrophobicContact CG-CB 4.09Å; A231-A248 HydrophobicContact CB-CB 3.33Å; M236-A248 HydrophobicContact CE-CB 4.09Å; M236-A248 HydrophobicContact SD-CB 3.89Å; A248-L381 PolarHBondContact N-O 3.14Å; A248-L381 PolarHBondContact O-N 3.21Å
249V89.4Confident75.4Confident2 Ų243 Ų431%0.01222%0.215CC..EExtended strand (participates in β ladder)trans-102134.1179.3-174.30000109.1I116 V119 I123 L229 V378 Q379I116-V249 HydrophobicContact CD1-CB 4.41Å; I116-V249 HydrophobicContact CD1-CG2 4.4Å; I116-V249 HydrophobicContact CG2-CG1 4.35Å; V119-V249 HydrophobicContact CG1-CG1 4.22Å; V119-V249 HydrophobicContact CG1-CG2 3.91Å; I123-V249 HydrophobicContact CD1-CG2 4.36Å; L229-V249 HydrophobicContact CD2-CB 4.11Å; L229-V249 HydrophobicContact CD2-CG1 3.82Å; V249-V378 HydrophobicContact CG1-CB 3.89Å; V249-V378 HydrophobicContact CG1-CG1 4.32Å; V249-V378 HydrophobicContact CG1-CG2 3.71Å; V249-Q379 WeakPolarHBondContact CA-O 3.4Å
250H84.4Confident75.1Confident26 Ų2645.2 Ų45.212%0.1223%0.229CC..EExtended strand (participates in β ladder)trans-125.1125.6178.2-175.665.4000109.4A231 T280 Q379 L381A231-H250 PolarHBondContact O-ND1 2.97Å; H250-T280 VanDerWaalsContact CE1-CG2 3.42Å; H250-T280 WeakPolarHBondContact CE1-CG2 3.25Å; H250-Q379 HydrophobicContact CB-CB 4.31Å; H250-Q379 PolarHBondContact N-O 3.03Å; H250-Q379 PolarHBondContact O-N 2.88Å; H250-L381 HydrophobicContact CB-CD1 4.05Å; H250-L381 HydrophobicContact CB-CG 4.4Å
251E77.2Confident75.4Confident22 Ų2246.8 Ų46.810%0.10324%0.239CC..EExtended strand (participates in β ladder)trans-74.3128.6177.3-164164.6-159.700109.3T114 S253 Y285 R373T114-E251 PolarHBondContact OG1-OE1 2.6Å; E251-S253 PolarHBondContact O-N 3.35Å; E251-S253 VanDerWaalsContact O-N 3.12Å; E251-Y285 PolarHBondContact OE2-OH 2.94Å; E251-R373 IonicContact OE1-NH2 3.69Å
252N67.6Low76.3Confident25 Ų2546.6 Ų46.613%0.13423%0.232CC..  trans-68.8109.8-178.8-94.7-19000110.2Y254 D377 Q379N252-Y254 HydrophobicContact CB-CD2 4.4Å; N252-Y254 HydrophobicContact CB-CE2 4.14Å; N252-Y254 PolarHBondContact O-N 3.08Å; N252-D377 PolarHBondContact ND2-OD2 3.07Å; N252-Q379 WeakPolarHBondContact OD1-CG 3.22Å; N252-Q379 PolarHBondContact OD1-NE2 3.42Å
253S61.3Low77.1Confident22 Ų2246.6 Ų46.615%0.15423%0.232CC..  trans-88.599.4164.5176.70000108E251 Q255E251-S253 PolarHBondContact O-N 3.35Å; E251-S253 VanDerWaalsContact O-N 3.12Å; S253-Q255 VanDerWaalsContact C-N 3.32Å; S253-Q255 PolarHBondContact O-N 3Å; S253-Q255 VanDerWaalsContact OG-CG 3.23Å; S253-Q255 WeakPolarHBondContact OG-CG 3.48Å; S253-Q255 PolarHBondContact OG-NE2 2.93Å
254Y55.1Low77.5Confident160 Ų16048.7 Ų48.763%0.62725%0.247SC*.  trans-69.790.5170.3-78.5-81.2000108.8N252 G256N252-Y254 HydrophobicContact CB-CD2 4.4Å; N252-Y254 HydrophobicContact CB-CE2 4.14Å; N252-Y254 PolarHBondContact O-N 3.08Å; Y254-G256 PolarHBondContact O-N 2.89Å
255Q57.5Low77.5Confident102 Ų10254.8 Ų54.848%0.47727%0.27SS..  trans-82103-169.6-73.2169.72100112.3S253 T260 F279S253-Q255 VanDerWaalsContact C-N 3.32Å; S253-Q255 PolarHBondContact O-N 3Å; S253-Q255 VanDerWaalsContact OG-CG 3.23Å; S253-Q255 WeakPolarHBondContact OG-CG 3.48Å; S253-Q255 PolarHBondContact OG-NE2 2.93Å; Q255-T260 HydrophobicContact CB-CG2 3.81Å; Q255-T260 HydrophobicContact CG-CG2 4.18Å; Q255-F279 HydrophobicContact CG-CE2 4.34Å; Q255-F279 HydrophobicContact CG-CZ 4.21Å
256G59.8Low77.5Confident35 Ų3552.8 Ų52.836%0.36126%0.259SS..  trans-66.4148.6158.100000111.6Y254 S258 L259 T260Y254-G256 PolarHBondContact O-N 2.89Å; G256-S258 PolarHBondContact O-N 3.37Å; G256-S258 VanDerWaalsContact O-N 3.08Å; G256-L259 PolarHBondContact O-N 2.88Å; G256-T260 PolarHBondContact O-N 2.85Å
257R60.3Low77.3Confident233 Ų23352.9 Ų52.988%0.87926%0.26SS*.Hα-helixtrans-56.5-25.8177.7-168.4177.4-178.11771.6113.8T260R257-T260 PolarHBondContact O-OG1 3.34Å
258S65.5Low76.9Confident103 Ų10360 Ų6072%0.7229%0.293SS*.Hα-helixtrans-73.5-41.6176.1-174.70000112.2G256 T260 D261 Y262G256-S258 PolarHBondContact O-N 3.37Å; G256-S258 VanDerWaalsContact O-N 3.08Å; S258-T260 VanDerWaalsContact C-N 3.3Å; S258-T260 PolarHBondContact O-N 2.78Å; S258-D261 PolarHBondContact O-N 3.07Å; S258-Y262 PolarHBondContact O-N 2.97Å
259L76.6Confident76.6Confident24 Ų2462.7 Ų62.713%0.12631%0.305CS..Hα-helixtrans-68.7-31.9-179.5-161.877.3000111.3G256 Y262 A263 F279 E359G256-L259 PolarHBondContact O-N 2.88Å; L259-Y262 PolarHBondContact O-N 3.29Å; L259-A263 WeakPolarHBondContact O-CB 3.1Å; L259-A263 PolarHBondContact O-N 3.04Å; L259-F279 HydrophobicContact CD2-CE1 4.42Å; L259-E359 HydrophobicContact CD2-CG 4.37Å
260T77.1Confident76.3Confident47 Ų4763.7 Ų63.729%0.28831%0.31SS..Hα-helixtrans-68.1-40.6177.655.60000112.9Q255 G256 R257 S258 A263 S264Q255-T260 HydrophobicContact CB-CG2 3.81Å; Q255-T260 HydrophobicContact CG-CG2 4.18Å; G256-T260 PolarHBondContact O-N 2.85Å; R257-T260 PolarHBondContact O-OG1 3.34Å; S258-T260 VanDerWaalsContact C-N 3.3Å; S258-T260 PolarHBondContact O-N 2.78Å; T260-A263 PolarHBondContact O-N 3.43Å; T260-S264 WeakPolarHBondContact O-CB 3.49Å; T260-S264 PolarHBondContact O-N 3.16Å
261D82.3Confident76.3Confident75 Ų7573.2 Ų73.240%0.40135%0.345SS..Hα-helixtrans-63.7-45.7172.7-177.645000110.6S258 A263 S264 R265S258-D261 PolarHBondContact O-N 3.07Å; D261-A263 PolarHBondContact O-N 2.73Å; D261-S264 PolarHBondContact O-N 2.96Å; D261-S264 VanDerWaalsContact O-N 3.16Å; D261-S264 PolarHBondContact O-OG 2.8Å; D261-R265 WeakPolarHBondContact O-CG 3.36Å; D261-R265 PolarHBondContact O-N 2.95Å; D261-R265 IonicContact OD1-NE 2.76Å; D261-R265 PolarHBondContact OD1-NE 2.89Å; D261-R265 IonicContact OD1-NH2 2.72Å; D261-R265 IonicContact OD2-CZ 2.76Å; D261-R265 IonicContact OD2-NE 2.87Å; D261-R265 PolarHBondContact OD2-NE 3.31Å; D261-R265 VanDerWaalsContact OD2-NE 3.1Å; D261-R265 IonicContact OD2-NH2 3.65Å; D261-R265 PolarHBondContact OD2-NH2 2.88Å
262Y86.4Confident76Confident56 Ų5674.5 Ų74.522%0.2235%0.353CS..Hα-helixtrans-57.7-48.3176.3-176.6-99.2000112.3F22 M26 S258 L259 S264 R265 F266 H287 L361F22-Y262 HydrophobicContact CE1-CE1 4.2Å; F22-Y262 AromaticContact CE1-CE2 3.82Å; F22-Y262 HydrophobicContact CE1-CE2 3.82Å; F22-Y262 AromaticContact CE1-CZ 3.57Å; F22-Y262 WeakPolarHBondContact CE1-OH 3.29Å; F22-Y262 HydrophobicContact CZ-CE2 4.03Å; M26-Y262 HydrophobicContact CE-CD2 4.39Å; M26-Y262 HydrophobicContact CE-CE2 3.99Å; M26-Y262 HydrophobicContact CG-CE2 4.41Å; S258-Y262 PolarHBondContact O-N 2.97Å; L259-Y262 PolarHBondContact O-N 3.29Å; Y262-S264 VanDerWaalsContact C-N 3.32Å; Y262-S264 PolarHBondContact O-N 3.05Å; Y262-R265 PolarHBondContact O-N 2.84Å; Y262-F266 PolarHBondContact O-N 3.39Å; Y262-H287 AromaticContact CE1-CE1 3.8Å; Y262-H287 AromaticContact CE1-NE2 3.5Å; Y262-H287 WeakPolarHBondContact CE1-NE2 3.36Å; Y262-H287 AromaticContact CZ-NE2 3.48Å; Y262-H287 PolarHBondContact OH-NE2 2.88Å; Y262-L361 HydrophobicContact CD1-CD2 3.78Å; Y262-L361 HydrophobicContact CD1-CG 4.33Å; Y262-L361 HydrophobicContact CE1-CD1 4.16Å; Y262-L361 HydrophobicContact CE1-CD2 4.06Å; Y262-L361 HydrophobicContact CE1-CG 4.1Å
263A86.1Confident75.5Confident0 Ų083.3 Ų83.30%039%0.39CS..Hα-helixtrans-63.7-36.1176.900000112L259 T260 D261 F266 A267 V275 L278 F279 L361L259-A263 WeakPolarHBondContact O-CB 3.1Å; L259-A263 PolarHBondContact O-N 3.04Å; T260-A263 PolarHBondContact O-N 3.43Å; D261-A263 PolarHBondContact O-N 2.73Å; A263-F266 PolarHBondContact O-N 2.91Å; A263-A267 WeakPolarHBondContact O-CB 3.45Å; A263-A267 PolarHBondContact O-N 2.71Å; A263-V275 HydrophobicContact CB-CG1 3.58Å; A263-L278 HydrophobicContact CB-CD2 4.01Å; A263-L278 WeakPolarHBondContact O-CD2 3.18Å; A263-F279 HydrophobicContact CB-CD1 4.43Å; A263-F279 HydrophobicContact CB-CE1 3.41Å; A263-F279 VanDerWaalsContact CB-CE1 3.41Å; A263-F279 HydrophobicContact CB-CE2 4.44Å; A263-F279 HydrophobicContact CB-CZ 3.41Å; A263-F279 VanDerWaalsContact CB-CZ 3.41Å; A263-L361 HydrophobicContact CB-CD2 3.84Å
264S85.9Confident75.7Confident47 Ų4785.4 Ų85.433%0.32940%0.403SS..Hα-helixtrans-63.6-42.2175.882.40000112.2T260 D261 Y262 A267 H268T260-S264 WeakPolarHBondContact O-CB 3.49Å; T260-S264 PolarHBondContact O-N 3.16Å; D261-S264 PolarHBondContact O-N 2.96Å; D261-S264 VanDerWaalsContact O-N 3.16Å; D261-S264 PolarHBondContact O-OG 2.8Å; Y262-S264 VanDerWaalsContact C-N 3.32Å; Y262-S264 PolarHBondContact O-N 3.05Å; S264-A267 PolarHBondContact O-N 3Å; S264-H268 WeakPolarHBondContact O-CB 3.48Å; S264-H268 PolarHBondContact O-N 3.5Å
265R86.8Confident76.3Confident128 Ų12880.2 Ų80.248%0.48339%0.388SS..Hα-helixtrans-66.8-41.6176.3-65176.1-169.3-162.53.3111.2F22 D261 Y262 H268 E269F22-R265 HydrophobicContact CE2-CB 4.25Å; F22-R265 HydrophobicContact CZ-CB 4.46Å; D261-R265 WeakPolarHBondContact O-CG 3.36Å; D261-R265 PolarHBondContact O-N 2.95Å; D261-R265 IonicContact OD1-NE 2.76Å; D261-R265 PolarHBondContact OD1-NE 2.89Å; D261-R265 IonicContact OD1-NH2 2.72Å; D261-R265 IonicContact OD2-CZ 2.76Å; D261-R265 IonicContact OD2-NE 2.87Å; D261-R265 PolarHBondContact OD2-NE 3.31Å; D261-R265 VanDerWaalsContact OD2-NE 3.1Å; D261-R265 IonicContact OD2-NH2 3.65Å; D261-R265 PolarHBondContact OD2-NH2 2.88Å; Y262-R265 PolarHBondContact O-N 2.84Å; R265-H268 WeakPolarHBondContact O-CB 3.29Å; R265-H268 PolarHBondContact O-N 3.32Å; R265-E269 PolarHBondContact O-N 3.47Å; R265-E269 VanDerWaalsContact O-N 3.12Å
266F89.4Confident76.7Confident0 Ų077.3 Ų77.30%038%0.381CS..Hα-helixtrans-65.1-43.3176.2-171.8-127.2000111.9V19 F22 Y262 A263 H268 E269 L270 L278 A283 H287 L361V19-F266 HydrophobicContact CB-CE2 4.37Å; V19-F266 HydrophobicContact CB-CZ 4.24Å; V19-F266 HydrophobicContact CG1-CE2 4.22Å; V19-F266 HydrophobicContact CG1-CZ 3.97Å; V19-F266 HydrophobicContact CG2-CE2 4.17Å; V19-F266 HydrophobicContact CG2-CZ 3.69Å; F22-F266 HydrophobicContact CB-CD2 3.96Å; F22-F266 HydrophobicContact CB-CE2 3.98Å; F22-F266 AromaticContact CD1-CD2 3.23Å; F22-F266 HydrophobicContact CD1-CD2 3.23Å; F22-F266 AromaticContact CD1-CE2 3.67Å; F22-F266 HydrophobicContact CD1-CE2 3.67Å; F22-F266 HydrophobicContact CD1-CG 4.22Å; F22-F266 AromaticContact CD2-CD2 3.91Å; F22-F266 HydrophobicContact CD2-CD2 3.91Å; F22-F266 HydrophobicContact CE1-CB 3.94Å; F22-F266 AromaticContact CE1-CD2 3.5Å; F22-F266 HydrophobicContact CE1-CD2 3.5Å; F22-F266 VanDerWaalsContact CE1-CD2 3.5Å; F22-F266 HydrophobicContact CE1-CE2 4.28Å; F22-F266 HydrophobicContact CE1-CG 4.05Å; F22-F266 HydrophobicContact CE2-CB 4.12Å; F22-F266 HydrophobicContact CE2-CD2 4.16Å; F22-F266 AromaticContact CG-CD2 3.43Å; F22-F266 HydrophobicContact CG-CD2 3.43Å; F22-F266 VanDerWaalsContact CG-CD2 3.43Å; F22-F266 AromaticContact CG-CE2 3.91Å; F22-F266 HydrophobicContact CG-CE2 3.91Å; F22-F266 HydrophobicContact CZ-CB 3.73Å; F22-F266 AromaticContact CZ-CD2 3.97Å; F22-F266 HydrophobicContact CZ-CD2 3.97Å; F22-F266 HydrophobicContact CZ-CG 4.3Å; Y262-F266 PolarHBondContact O-N 3.39Å; A263-F266 PolarHBondContact O-N 2.91Å; F266-H268 VanDerWaalsContact C-N 3.3Å; F266-H268 PolarHBondContact O-N 2.68Å; F266-E269 PolarHBondContact O-N 3.34Å; F266-L270 HydrophobicContact CD1-CD1 3.78Å; F266-L270 HydrophobicContact CD2-CD1 4.34Å; F266-L270 HydrophobicContact CE1-CD1 3.49Å; F266-L270 VanDerWaalsContact CE1-CD1 3.49Å; F266-L270 HydrophobicContact CE2-CD1 4.12Å; F266-L270 HydrophobicContact CE2-CG 4.42Å; F266-L270 HydrophobicContact CG-CD1 4.23Å; F266-L270 HydrophobicContact CZ-CD1 3.71Å; F266-L270 HydrophobicContact CZ-CG 4.44Å; F266-L270 WeakPolarHBondContact O-CG 3.22Å; F266-L270 PolarHBondContact O-N 2.85Å; F266-L278 HydrophobicContact CB-CD2 4.08Å; F266-L278 HydrophobicContact CD1-CD1 3.6Å; F266-L278 HydrophobicContact CD1-CD2 3.54Å; F266-L278 HydrophobicContact CD1-CG 3.96Å; F266-L278 HydrophobicContact CE1-CD1 3.82Å; F266-L278 HydrophobicContact CE1-CG 4.48Å; F266-L278 HydrophobicContact CG-CD2 4.25Å; F266-A283 HydrophobicContact CE1-CB 4.35Å; F266-H287 HydrophobicContact CE1-CB 4.29Å; F266-H287 HydrophobicContact CZ-CB 3.98Å; F266-L361 HydrophobicContact CD1-CD1 3.18Å; F266-L361 HydrophobicContact CE1-CD1 3.35Å; F266-L361 HydrophobicContact CG-CD1 3.97Å; F266-L361 HydrophobicContact CZ-CD1 4.24Å
267A87.2Confident77.1Confident2 Ų276.6 Ų76.62%0.01737%0.369CS..Hα-helixtrans-61.5-39.4175.800000111.5A263 S264 L270 R271 I272 V275 L278A263-A267 WeakPolarHBondContact O-CB 3.45Å; A263-A267 PolarHBondContact O-N 2.71Å; S264-A267 PolarHBondContact O-N 3Å; A267-L270 CarbonylContact O-C 3.56Å; A267-L270 PolarHBondContact O-N 3.23Å; A267-R271 PolarHBondContact O-N 3.31Å; A267-I272 HydrophobicContact CB-CB 4.48Å; A267-I272 PolarHBondContact O-N 3.45Å; A267-V275 HydrophobicContact CB-CG2 4.46Å; A267-L278 HydrophobicContact CB-CD2 3.88Å
268H86.8Confident77.7Confident150 Ų15065.5 Ų65.569%0.69433%0.328SS*.Hα-helixtrans-60.9-47.1174.3-178.8-84.5000112.3S264 R265 F266 L270 R271S264-H268 WeakPolarHBondContact O-CB 3.48Å; S264-H268 PolarHBondContact O-N 3.5Å; R265-H268 WeakPolarHBondContact O-CB 3.29Å; R265-H268 PolarHBondContact O-N 3.32Å; F266-H268 VanDerWaalsContact C-N 3.3Å; F266-H268 PolarHBondContact O-N 2.68Å; H268-L270 VanDerWaalsContact C-N 3.29Å; H268-L270 PolarHBondContact O-N 3.4Å; H268-R271 PolarHBondContact O-N 2.82Å
269E85.7Confident78Confident57 Ų5761.1 Ų61.127%0.26630%0.296SS..Hα-helixtrans-61.6-38.4176.5-17366.7-156.800111.7R21 F22 R265 F266 R271R21-E269 IonicContact NH1-OE1 3.93Å; R21-E269 PolarHBondContact NH1-OE1 3.31Å; R21-E269 VanDerWaalsContact NH1-OE1 3.17Å; F22-E269 HydrophobicContact CB-CG 4.17Å; F22-E269 HydrophobicContact CD2-CB 3.95Å; F22-E269 HydrophobicContact CD2-CG 4.17Å; R265-E269 PolarHBondContact O-N 3.47Å; R265-E269 VanDerWaalsContact O-N 3.12Å; F266-E269 PolarHBondContact O-N 3.34Å; E269-R271 PolarHBondContact O-N 2.96Å
270L84.1Confident77.6Confident23 Ų2360.5 Ų60.512%0.1229%0.293CS..Hα-helixtrans-77.4-6.5175.6-67.5173.9000113.9F15 V19 F266 A267 H268 I272 L278 A283F15-L270 HydrophobicContact CB-CD2 4.07Å; V19-L270 HydrophobicContact CG2-CD2 4.12Å; F266-L270 HydrophobicContact CD1-CD1 3.78Å; F266-L270 HydrophobicContact CD2-CD1 4.34Å; F266-L270 HydrophobicContact CE1-CD1 3.49Å; F266-L270 VanDerWaalsContact CE1-CD1 3.49Å; F266-L270 HydrophobicContact CE2-CD1 4.12Å; F266-L270 HydrophobicContact CE2-CG 4.42Å; F266-L270 HydrophobicContact CG-CD1 4.23Å; F266-L270 HydrophobicContact CZ-CD1 3.71Å; F266-L270 HydrophobicContact CZ-CG 4.44Å; F266-L270 WeakPolarHBondContact O-CG 3.22Å; F266-L270 PolarHBondContact O-N 2.85Å; A267-L270 CarbonylContact O-C 3.56Å; A267-L270 PolarHBondContact O-N 3.23Å; H268-L270 VanDerWaalsContact C-N 3.29Å; H268-L270 PolarHBondContact O-N 3.4Å; L270-I272 HydrophobicContact CB-CD1 3.69Å; L270-I272 HydrophobicContact CB-CG1 3.84Å; L270-I272 HydrophobicContact CD1-CD1 3.95Å; L270-I272 HydrophobicContact CG-CD1 4.45Å; L270-I272 PolarHBondContact O-N 2.84Å; L270-L278 HydrophobicContact CD1-CD1 3.48Å; L270-L278 VanDerWaalsContact CD1-CD1 3.48Å; L270-A283 HydrophobicContact CD1-CB 3.73Å
271R83.5Confident77.6Confident226 Ų22659.2 Ų59.285%0.85329%0.286SS*.THydrogen-bonded Turntrans5832.1-173.6-54.4178.8177.3173.3-1.9113.6A267 H268 E269A267-R271 PolarHBondContact O-N 3.31Å; H268-R271 PolarHBondContact O-N 2.82Å; E269-R271 PolarHBondContact O-N 2.96Å
272I71.4Confident77.7Confident50 Ų5056.8 Ų56.826%0.25627%0.272SS..  trans-96.5125.9177-60.5172.5000108.5A267 L270 T277 L278A267-I272 HydrophobicContact CB-CB 4.48Å; A267-I272 PolarHBondContact O-N 3.45Å; L270-I272 HydrophobicContact CB-CD1 3.69Å; L270-I272 HydrophobicContact CB-CG1 3.84Å; L270-I272 HydrophobicContact CD1-CD1 3.95Å; L270-I272 HydrophobicContact CG-CD1 4.45Å; L270-I272 PolarHBondContact O-N 2.84Å; I272-T277 WeakPolarHBondContact CG2-OG1 3.04Å; I272-L278 HydrophobicContact CD1-CD1 4.08Å
273K56.3Low77.9Confident210 Ų21054.3 Ų54.391%0.91326%0.263SS*.SBendtrans-103.31-172.3-72.6-168.2176-175.10116.9
274P65.9Low78Confident66 Ų6654.3 Ų54.343%0.42926%0.263SS..  trans-111.7119.3152.11.518.2000111.5A276 T277P274-A276 PolarHBondContact O-N 2.94Å; P274-T277 HydrophobicContact CB-CG2 3.92Å; P274-T277 WeakPolarHBondContact CD-OG1 3.49Å; P274-T277 HydrophobicContact CG-CG2 3.67Å; P274-T277 PolarHBondContact O-N 2.89Å; P274-T277 PolarHBondContact O-OG1 2.81Å
275V67.4Low78.3Confident51 Ų5152.2 Ų52.231%0.30925%0.248SC..Hα-helixtrans-57.7-33.6172.8-172.30000110.8A263 A267 T277 L278 F279A263-V275 HydrophobicContact CB-CG1 3.58Å; A267-V275 HydrophobicContact CB-CG2 4.46Å; V275-T277 VanDerWaalsContact C-N 3.29Å; V275-T277 PolarHBondContact O-N 3.16Å; V275-L278 WeakPolarHBondContact O-CB 3.24Å; V275-L278 PolarHBondContact O-N 2.82Å; V275-F279 HydrophobicContact CG1-CE2 3.63Å; V275-F279 HydrophobicContact CG1-CZ 3.76Å; V275-F279 VanDerWaalsContact O-CD2 3.25Å; V275-F279 WeakPolarHBondContact O-CD2 3.32Å
276A66.6Low78.6Confident40 Ų4046.1 Ų46.133%0.33123%0.225SC..Hα-helixtrans-56.9-38.1174.300000113.8P274 L278P274-A276 PolarHBondContact O-N 2.94Å; A276-L278 VanDerWaalsContact C-N 3.26Å; A276-L278 PolarHBondContact O-N 3.44Å
277T66.9Low78.8Confident20 Ų2046.3 Ų46.312%0.12323%0.226CC..Hα-helixtrans-70.2-24.517756.40000112.7N232 I272 P274 V275 T280 S281N232-T277 VanDerWaalsContact ND2-CG2 3.29Å; N232-T277 WeakPolarHBondContact ND2-CG2 3.28Å; I272-T277 WeakPolarHBondContact CG2-OG1 3.04Å; P274-T277 HydrophobicContact CB-CG2 3.92Å; P274-T277 WeakPolarHBondContact CD-OG1 3.49Å; P274-T277 HydrophobicContact CG-CG2 3.67Å; P274-T277 PolarHBondContact O-N 2.89Å; P274-T277 PolarHBondContact O-OG1 2.81Å; V275-T277 VanDerWaalsContact C-N 3.29Å; V275-T277 PolarHBondContact O-N 3.16Å; T277-T280 CarbonylContact O-C 3.58Å; T277-T280 PolarHBondContact O-N 3.16Å; T277-T280 PolarHBondContact O-OG1 2.95Å; T277-S281 WeakPolarHBondContact O-CB 3.15Å; T277-S281 PolarHBondContact O-N 3.35Å
278L73.6Confident79.1Confident0 Ų046.2 Ų46.20%023%0.225CC..Hα-helixtrans-67.9-43.4-178.9-179.267000111.3A263 F266 A267 L270 I272 V275 A276 T280 S281 A284A263-L278 HydrophobicContact CB-CD2 4.01Å; A263-L278 WeakPolarHBondContact O-CD2 3.18Å; F266-L278 HydrophobicContact CB-CD2 4.08Å; F266-L278 HydrophobicContact CD1-CD1 3.6Å; F266-L278 HydrophobicContact CD1-CD2 3.54Å; F266-L278 HydrophobicContact CD1-CG 3.96Å; F266-L278 HydrophobicContact CE1-CD1 3.82Å; F266-L278 HydrophobicContact CE1-CG 4.48Å; F266-L278 HydrophobicContact CG-CD2 4.25Å; A267-L278 HydrophobicContact CB-CD2 3.88Å; L270-L278 HydrophobicContact CD1-CD1 3.48Å; L270-L278 VanDerWaalsContact CD1-CD1 3.48Å; I272-L278 HydrophobicContact CD1-CD1 4.08Å; V275-L278 WeakPolarHBondContact O-CB 3.24Å; V275-L278 PolarHBondContact O-N 2.82Å; A276-L278 VanDerWaalsContact C-N 3.26Å; A276-L278 PolarHBondContact O-N 3.44Å; L278-T280 PolarHBondContact O-N 2.89Å; L278-S281 VanDerWaalsContact O-CB 3.31Å; L278-S281 WeakPolarHBondContact O-CB 3.3Å; L278-S281 PolarHBondContact O-N 2.89Å; L278-S281 PolarHBondContact O-OG 2.79Å; L278-A284 WeakPolarHBondContact O-CB 3.33Å
279F72.8Confident79.6Confident11 Ų1139 Ų395%0.04819%0.192CC..Hα-helixtrans-63.1-26.5-178-58-63.4000112.5Q255 L259 A263 V275 L361Q255-F279 HydrophobicContact CG-CE2 4.34Å; Q255-F279 HydrophobicContact CG-CZ 4.21Å; L259-F279 HydrophobicContact CD2-CE1 4.42Å; A263-F279 HydrophobicContact CB-CD1 4.43Å; A263-F279 HydrophobicContact CB-CE1 3.41Å; A263-F279 VanDerWaalsContact CB-CE1 3.41Å; A263-F279 HydrophobicContact CB-CE2 4.44Å; A263-F279 HydrophobicContact CB-CZ 3.41Å; A263-F279 VanDerWaalsContact CB-CZ 3.41Å; V275-F279 HydrophobicContact CG1-CE2 3.63Å; V275-F279 HydrophobicContact CG1-CZ 3.76Å; V275-F279 VanDerWaalsContact O-CD2 3.25Å; V275-F279 WeakPolarHBondContact O-CD2 3.32Å; F279-L361 VanDerWaalsContact CD1-O 3.22Å; F279-L361 WeakPolarHBondContact CD1-O 3.3Å; F279-L361 HydrophobicContact CE1-CD2 4.23Å
280T68.3Low80Confident12 Ų1236.6 Ų36.67%0.07418%0.181CC..THydrogen-bonded Turntrans-103.926.8175.561.60000112.7L202 H250 T277 L278L202-T280 VanDerWaalsContact CD1-O 3.25Å; L202-T280 WeakPolarHBondContact CD1-O 3.32Å; H250-T280 VanDerWaalsContact CE1-CG2 3.42Å; H250-T280 WeakPolarHBondContact CE1-CG2 3.25Å; T277-T280 CarbonylContact O-C 3.58Å; T277-T280 PolarHBondContact O-N 3.16Å; T277-T280 PolarHBondContact O-OG1 2.95Å; L278-T280 PolarHBondContact O-N 2.89Å
281S75.8Confident80.5Confident20 Ų2037.3 Ų37.314%0.1418%0.184CC..SBendtrans-108154.5-178.174.90000112.5T277 L278 A283 A284T277-S281 WeakPolarHBondContact O-CB 3.15Å; T277-S281 PolarHBondContact O-N 3.35Å; L278-S281 VanDerWaalsContact O-CB 3.31Å; L278-S281 WeakPolarHBondContact O-CB 3.3Å; L278-S281 PolarHBondContact O-N 2.89Å; L278-S281 PolarHBondContact O-OG 2.79Å; S281-A283 PolarHBondContact O-N 3.43Å; S281-A283 VanDerWaalsContact O-N 3.16Å; S281-A284 WeakPolarHBondContact O-CB 3.4Å; S281-A284 PolarHBondContact O-N 2.82Å; S281-A284 PolarHBondContact OG-N 2.94Å
282E86Confident81.1Confident24 Ų2426.6 Ų26.611%0.11214%0.144CC..Hα-helixtrans-61.5-25.8175.4-61.2-177.6-179.400111.8F15 K74 S201 L202 A284 Y285 L286F15-E282 HydrophobicContact CE1-CB 4.05Å; F15-E282 HydrophobicContact CE2-CB 4.27Å; F15-E282 HydrophobicContact CZ-CB 3.56Å; K74-E282 VanDerWaalsContact NZ-CD 3.34Å; K74-E282 IonicContact NZ-OE1 2.74Å; K74-E282 PolarHBondContact NZ-OE1 3.34Å; K74-E282 IonicContact NZ-OE2 3.31Å; S201-E282 WeakPolarHBondContact CA-OE1 3.5Å; S201-E282 WeakPolarHBondContact CB-OE1 3.5Å; S201-E282 PolarHBondContact OG-OE1 3.24Å; L202-E282 HydrophobicContact CD1-CG 3.76Å; L202-E282 HydrophobicContact CG-CG 4.17Å; E282-A284 VanDerWaalsContact C-N 3.29Å; E282-A284 PolarHBondContact O-N 3.25Å; E282-Y285 PolarHBondContact O-N 3.01Å; E282-L286 PolarHBondContact O-N 3.46Å
283A89.4Confident82.3Confident3 Ų324.2 Ų24.23%0.02513%0.132CC..Hα-helixtrans-64.9-32.8175.300000112.3F15 V19 F266 L270 S281 H287F15-A283 HydrophobicContact CB-CB 4.45Å; F15-A283 HydrophobicContact CD2-CB 3.66Å; F15-A283 HydrophobicContact CE2-CB 4.15Å; F15-A283 HydrophobicContact CG-CB 4.18Å; V19-A283 HydrophobicContact CG2-CB 4.01Å; F266-A283 HydrophobicContact CE1-CB 4.35Å; L270-A283 HydrophobicContact CD1-CB 3.73Å; S281-A283 PolarHBondContact O-N 3.43Å; S281-A283 VanDerWaalsContact O-N 3.16Å; A283-H287 WeakPolarHBondContact O-CB 3.38Å; A283-H287 PolarHBondContact O-N 2.94Å
284A89.1Confident84.1Confident0 Ų015.8 Ų15.80%09%0.094CC..Hα-helixtrans-69-45.1175.300000111.6L278 S281 E282 L286 H287 D288 L361L278-A284 WeakPolarHBondContact O-CB 3.33Å; S281-A284 WeakPolarHBondContact O-CB 3.4Å; S281-A284 PolarHBondContact O-N 2.82Å; S281-A284 PolarHBondContact OG-N 2.94Å; E282-A284 VanDerWaalsContact C-N 3.29Å; E282-A284 PolarHBondContact O-N 3.25Å; A284-L286 PolarHBondContact O-N 3.1Å; A284-H287 WeakPolarHBondContact O-CB 3.44Å; A284-H287 PolarHBondContact O-N 2.8Å; A284-D288 WeakPolarHBondContact O-CB 3.31Å; A284-D288 VanDerWaalsContact O-CG 3.26Å; A284-D288 PolarHBondContact O-N 2.95Å; A284-L361 HydrophobicContact CB-CB 3.72Å
285Y91Very high85.4Confident4 Ų415.8 Ų15.82%0.0169%0.087CC..Hα-helixtrans-63.5-41.5176.1-65.8-68.4000112.3M112 L202 E251 E282 D288 A289 R373M112-Y285 WeakPolarHBondContact O-CD1 3.41Å; L202-Y285 HydrophobicContact CD1-CD2 4.2Å; L202-Y285 HydrophobicContact CD1-CE2 3.87Å; E251-Y285 PolarHBondContact OE2-OH 2.94Å; E282-Y285 PolarHBondContact O-N 3.01Å; Y285-D288 PolarHBondContact O-N 3.34Å; Y285-A289 WeakPolarHBondContact O-CB 3.5Å; Y285-A289 PolarHBondContact O-N 2.51Å; Y285-R373 VanDerWaalsContact CE1-NH1 3.3Å
286L94.3Very high86.7Confident0 Ų013.4 Ų13.40%07%0.073CC..Hα-helixtrans-63.3-45.2174.9175.159.2000112.1I7 F15 V16 V19 I72 W97 E282 A284 D288 A289 I290I7-L286 HydrophobicContact CD1-CD1 4.15Å; F15-L286 HydrophobicContact CD2-CD2 4.32Å; F15-L286 HydrophobicContact CE2-CB 4.36Å; F15-L286 HydrophobicContact CE2-CD2 3.88Å; V16-L286 HydrophobicContact CB-CD2 4.15Å; V16-L286 HydrophobicContact CG1-CD2 4.08Å; V16-L286 HydrophobicContact CG2-CD2 3.7Å; V19-L286 HydrophobicContact CB-CD2 4.26Å; V19-L286 HydrophobicContact CG1-CD2 4.35Å; V19-L286 HydrophobicContact CG1-CG 4.25Å; V19-L286 HydrophobicContact CG2-CD2 4.33Å; I72-L286 HydrophobicContact CG2-CD1 4.16Å; W97-L286 HydrophobicContact CD2-CB 4.36Å; W97-L286 HydrophobicContact CD2-CD1 4.1Å; W97-L286 HydrophobicContact CE3-CD1 3.65Å; W97-L286 HydrophobicContact CH2-CD1 3.8Å; W97-L286 HydrophobicContact CH2-CD2 4.48Å; W97-L286 HydrophobicContact CZ2-CD1 4.21Å; W97-L286 HydrophobicContact CZ2-CD2 4.38Å; W97-L286 HydrophobicContact CZ3-CD1 3.46Å; W97-L286 VanDerWaalsContact CZ3-CD1 3.46Å; E282-L286 PolarHBondContact O-N 3.46Å; A284-L286 PolarHBondContact O-N 3.1Å; L286-D288 VanDerWaalsContact C-N 3.29Å; L286-D288 PolarHBondContact O-N 3.05Å; L286-A289 WeakPolarHBondContact O-CB 3.5Å; L286-A289 PolarHBondContact O-N 3.12Å; L286-I290 HydrophobicContact CD1-CD1 4.25Å; L286-I290 HydrophobicContact CD1-CG1 4.45Å; L286-I290 HydrophobicContact CG-CD1 4.33Å; L286-I290 WeakPolarHBondContact O-CG1 3.48Å; L286-I290 PolarHBondContact O-N 3.11Å; L286-I290 VanDerWaalsContact O-N 3.15Å
287H93.9Very high88Confident3 Ų311.5 Ų11.51%0.0146%0.057CC..Hα-helixtrans-55.4-49.2175.6167.3-81.2000110.7V19 Y262 F266 A283 A284 A289 I290 L291 L361V19-H287 HydrophobicContact CG1-CB 4.1Å; Y262-H287 AromaticContact CE1-CE1 3.8Å; Y262-H287 AromaticContact CE1-NE2 3.5Å; Y262-H287 WeakPolarHBondContact CE1-NE2 3.36Å; Y262-H287 AromaticContact CZ-NE2 3.48Å; Y262-H287 PolarHBondContact OH-NE2 2.88Å; F266-H287 HydrophobicContact CE1-CB 4.29Å; F266-H287 HydrophobicContact CZ-CB 3.98Å; A283-H287 WeakPolarHBondContact O-CB 3.38Å; A283-H287 PolarHBondContact O-N 2.94Å; A284-H287 WeakPolarHBondContact O-CB 3.44Å; A284-H287 PolarHBondContact O-N 2.8Å; H287-A289 VanDerWaalsContact C-N 3.31Å; H287-A289 PolarHBondContact O-N 2.75Å; H287-I290 PolarHBondContact O-N 3.43Å; H287-L291 PolarHBondContact O-N 2.69Å; H287-L361 HydrophobicContact CB-CD1 4.16Å
288D93.5Very high89.2Confident0 Ų013.7 Ų13.70%07%0.066CC..Hα-helixtrans-69.9-28.5-178.6-67.8-11.4000112.2M112 A284 Y285 L286 L291 A292 F358 G360 L361 S362 V365M112-D288 HydrophobicContact CE-CB 4.2Å; A284-D288 WeakPolarHBondContact O-CB 3.31Å; A284-D288 VanDerWaalsContact O-CG 3.26Å; A284-D288 PolarHBondContact O-N 2.95Å; Y285-D288 PolarHBondContact O-N 3.34Å; L286-D288 VanDerWaalsContact C-N 3.29Å; L286-D288 PolarHBondContact O-N 3.05Å; D288-L291 PolarHBondContact O-N 3.24Å; D288-A292 VanDerWaalsContact O-CB 3.27Å; D288-A292 WeakPolarHBondContact O-CB 3.27Å; D288-A292 PolarHBondContact O-N 3.07Å; D288-F358 HydrophobicContact CB-CE2 4.43Å; D288-F358 HydrophobicContact CB-CZ 4.43Å; D288-G360 WeakPolarHBondContact OD1-CA 3.46Å; D288-L361 PolarHBondContact OD1-N 2.93Å; D288-L361 PolarHBondContact OD2-N 2.92Å; D288-S362 WeakPolarHBondContact OD2-CB 3.5Å; D288-S362 PolarHBondContact OD2-N 3.44Å; D288-S362 PolarHBondContact OD2-OG 2.9Å; D288-V365 HydrophobicContact CB-CG2 4.11Å
289A95.8Very high90.1Very high0 Ų017.7 Ų17.70%08%0.083CC..Hα-helixtrans-62.3-47.3172.300000111.5I72 L95 M112 Y285 L286 H287 L291 A292 F293I72-A289 HydrophobicContact CG2-CB 4.05Å; L95-A289 HydrophobicContact CD2-CB 4.26Å; L95-A289 WeakPolarHBondContact CD2-O 2.84Å; M112-A289 HydrophobicContact CE-CB 4.25Å; M112-A289 HydrophobicContact CG-CB 3.7Å; M112-A289 HydrophobicContact SD-CB 4.14Å; Y285-A289 WeakPolarHBondContact O-CB 3.5Å; Y285-A289 PolarHBondContact O-N 2.51Å; L286-A289 WeakPolarHBondContact O-CB 3.5Å; L286-A289 PolarHBondContact O-N 3.12Å; H287-A289 VanDerWaalsContact C-N 3.31Å; H287-A289 PolarHBondContact O-N 2.75Å; A289-L291 VanDerWaalsContact C-N 3.28Å; A289-L291 PolarHBondContact O-N 3.34Å; A289-A292 PolarHBondContact O-N 2.69Å; A289-F293 PolarHBondContact O-N 3.44Å
290I95.5Very high91.1Very high6 Ų617.3 Ų17.33%0.0318%0.082CC..Hα-helixtrans-64.6-38.4177.3-60.4164.5000110.2I7 V19 L23 L38 V40 I72 L286 H287 R294I7-I290 HydrophobicContact CD1-CD1 3.85Å; I7-I290 HydrophobicContact CD1-CG1 4.35Å; V19-I290 HydrophobicContact CG1-CD1 4.35Å; L23-I290 HydrophobicContact CD1-CB 3.78Å; L23-I290 HydrophobicContact CD1-CD1 3.56Å; L23-I290 HydrophobicContact CD1-CG1 4.28Å; L23-I290 HydrophobicContact CD1-CG2 3.67Å; L38-I290 HydrophobicContact CD2-CG2 3.91Å; V40-I290 HydrophobicContact CG2-CG2 4.42Å; I72-I290 HydrophobicContact CD1-CG1 3.94Å; L286-I290 HydrophobicContact CD1-CD1 4.25Å; L286-I290 HydrophobicContact CD1-CG1 4.45Å; L286-I290 HydrophobicContact CG-CD1 4.33Å; L286-I290 WeakPolarHBondContact O-CG1 3.48Å; L286-I290 PolarHBondContact O-N 3.11Å; L286-I290 VanDerWaalsContact O-N 3.15Å; H287-I290 PolarHBondContact O-N 3.43Å; I290-R294 WeakPolarHBondContact O-CB 3.26Å; I290-R294 PolarHBondContact O-N 3.47Å
291L93.8Very high92.2Very high38 Ų3817.1 Ų17.120%0.1998%0.08CC..Hα-helixtrans-68.9-39.2177.2-171.956.8000112.6H287 D288 A289 R294 K295 F358H287-L291 PolarHBondContact O-N 2.69Å; D288-L291 PolarHBondContact O-N 3.24Å; A289-L291 VanDerWaalsContact C-N 3.28Å; A289-L291 PolarHBondContact O-N 3.34Å; L291-R294 PolarHBondContact O-N 3.09Å; L291-K295 HydrophobicContact CD1-CG 4.35Å; L291-K295 HydrophobicContact CG-CD 4.37Å; L291-K295 WeakPolarHBondContact O-CB 3.45Å; L291-K295 WeakPolarHBondContact O-CG 3.14Å; L291-K295 PolarHBondContact O-N 3.37Å; L291-F358 HydrophobicContact CB-CE2 4.17Å; L291-F358 HydrophobicContact CB-CZ 4.14Å; L291-F358 HydrophobicContact CD2-CD2 3.86Å; L291-F358 HydrophobicContact CD2-CE2 3.54Å; L291-F358 HydrophobicContact CD2-CZ 4.3Å; L291-F358 HydrophobicContact CG-CD2 4.32Å; L291-F358 HydrophobicContact CG-CE2 3.84Å; L291-F358 HydrophobicContact CG-CZ 4.1Å
292A95.8Very high92.9Very high0 Ų020.3 Ų20.30%010%0.102CC..Hα-helixtrans-62.6-44.817500000111L95 M112 D288 A289 K295 G296 I353 V356 F358 F367L95-A292 HydrophobicContact CD2-CB 4.47Å; M112-A292 HydrophobicContact CE-CB 4.19Å; M112-A292 HydrophobicContact SD-CB 4.3Å; D288-A292 VanDerWaalsContact O-CB 3.27Å; D288-A292 WeakPolarHBondContact O-CB 3.27Å; D288-A292 PolarHBondContact O-N 3.07Å; A289-A292 PolarHBondContact O-N 2.69Å; A292-K295 PolarHBondContact O-N 2.81Å; A292-G296 PolarHBondContact O-N 2.79Å; A292-I353 HydrophobicContact CB-CG2 4.31Å; A292-V356 HydrophobicContact CB-CG2 4.29Å; A292-F358 HydrophobicContact CB-CE1 3.85Å; A292-F358 HydrophobicContact CB-CZ 4.03Å; A292-F367 HydrophobicContact CB-CE2 4.4Å; A292-F367 HydrophobicContact CB-CZ 4.34Å
293F95.9Very high93Very high0 Ų023 Ų230%013%0.129CC..Hα-helixtrans-58.3-51.5173.1179.2-112.7000111.5L38 F69 A70 L95 A289 K295 G296 I297 I349 I353L38-F293 HydrophobicContact CD1-CD1 3.86Å; L38-F293 HydrophobicContact CD1-CE1 3.53Å; L38-F293 HydrophobicContact CD2-CD1 3.99Å; L38-F293 HydrophobicContact CD2-CE1 4.49Å; F69-F293 HydrophobicContact CB-CE2 4.4Å; F69-F293 HydrophobicContact CB-CZ 3.74Å; A70-F293 HydrophobicContact CB-CD2 3.56Å; A70-F293 HydrophobicContact CB-CE1 4.49Å; A70-F293 HydrophobicContact CB-CE2 3.39Å; A70-F293 HydrophobicContact CB-CG 4.23Å; A70-F293 HydrophobicContact CB-CZ 3.91Å; L95-F293 HydrophobicContact CD2-CB 4.18Å; A289-F293 PolarHBondContact O-N 3.44Å; F293-K295 PolarHBondContact O-N 3.37Å; F293-G296 PolarHBondContact O-N 3.4Å; F293-I297 HydrophobicContact CE1-CG1 4.31Å; F293-I297 HydrophobicContact CE2-CD1 4.11Å; F293-I297 HydrophobicContact CE2-CG1 4.07Å; F293-I297 HydrophobicContact CZ-CD1 4.12Å; F293-I297 HydrophobicContact CZ-CG1 3.94Å; F293-I297 WeakPolarHBondContact O-CG1 3.15Å; F293-I297 PolarHBondContact O-N 3.47Å; F293-I349 HydrophobicContact CE2-CG2 3.94Å; F293-I353 HydrophobicContact CD2-CD1 3.75Å; F293-I353 HydrophobicContact CE2-CD1 4.4Å
294R94.2Very high93.1Very high33 Ų3326 Ų2613%0.12514%0.144CC..Hα-helixtrans-55.7-50177.9179.2-178.1160.9141.76.6111.9E34 F36 L38 I290 L291 G296 I297 E298E34-R294 IonicContact OE1-CZ 3.47Å; E34-R294 IonicContact OE1-NH1 2.69Å; E34-R294 PolarHBondContact OE1-NH1 2.93Å; E34-R294 IonicContact OE1-NH2 2.71Å; E34-R294 PolarHBondContact OE1-NH2 2.77Å; E34-R294 IonicContact OE2-NH1 2.69Å; E34-R294 IonicContact OE2-NH2 3.69Å; F36-R294 HydrophobicContact CE2-CG 4.33Å; F36-R294 HydrophobicContact CZ-CG 4.04Å; L38-R294 HydrophobicContact CD2-CB 4Å; I290-R294 WeakPolarHBondContact O-CB 3.26Å; I290-R294 PolarHBondContact O-N 3.47Å; L291-R294 PolarHBondContact O-N 3.09Å; R294-G296 VanDerWaalsContact C-N 3.32Å; R294-G296 PolarHBondContact O-N 3.3Å; R294-I297 PolarHBondContact O-N 3.03Å; R294-E298 IonicContact CZ-OE1 2.69Å; R294-E298 VanDerWaalsContact CZ-OE1 3.31Å; R294-E298 IonicContact NE-OE1 3.46Å; R294-E298 PolarHBondContact NE-OE1 3.05Å; R294-E298 IonicContact NH2-OE1 2.91Å; R294-E298 PolarHBondContact NH2-OE1 3.33Å; R294-E298 WeakPolarHBondContact O-CG 3.37Å; R294-E298 PolarHBondContact O-N 3.45Å
295K94Very high92.9Very high67 Ų6733 Ų3329%0.29118%0.177SC..Hα-helixtrans-65.1-35.2-179.9-75.7-173.9172.5-168.60112.6L291 A292 F293 I297 E298 K299 V356 F358L291-K295 HydrophobicContact CD1-CG 4.35Å; L291-K295 HydrophobicContact CG-CD 4.37Å; L291-K295 WeakPolarHBondContact O-CB 3.45Å; L291-K295 WeakPolarHBondContact O-CG 3.14Å; L291-K295 PolarHBondContact O-N 3.37Å; A292-K295 PolarHBondContact O-N 2.81Å; F293-K295 PolarHBondContact O-N 3.37Å; K295-I297 VanDerWaalsContact C-N 3.33Å; K295-E298 PolarHBondContact O-N 3.31Å; K295-K299 WeakPolarHBondContact O-CB 3.32Å; K295-K299 PolarHBondContact O-N 3.06Å; K295-V356 HydrophobicContact CB-CB 4.43Å; K295-V356 HydrophobicContact CB-CG1 3.97Å; K295-F358 HydrophobicContact CD-CB 4.03Å; K295-F358 HydrophobicContact CD-CD1 3.68Å; K295-F358 HydrophobicContact CD-CD2 4.47Å; K295-F358 HydrophobicContact CD-CE1 4.26Å; K295-F358 HydrophobicContact CD-CG 3.8Å
296G95.1Very high92.6Very high0 Ų036.6 Ų36.60%020%0.203CC..Hα-helixtrans-61.8-42.8173.800000111.6A292 F293 R294 K299 L300 H352A292-G296 PolarHBondContact O-N 2.79Å; F293-G296 PolarHBondContact O-N 3.4Å; R294-G296 VanDerWaalsContact C-N 3.32Å; R294-G296 PolarHBondContact O-N 3.3Å; G296-K299 PolarHBondContact O-N 3.17Å; G296-L300 WeakPolarHBondContact O-CB 3.42Å; G296-L300 PolarHBondContact O-N 3.13Å; G296-H352 WeakPolarHBondContact O-CB 3.43Å
297I94.3Very high92.3Very high0 Ų037.9 Ų37.90%021%0.21CC..Hα-helixtrans-67.1-44.1174.1-62.3-62.2000111.9L3 F36 F293 R294 K295 K299 L300 L301 I349L3-I297 HydrophobicContact CD1-CG1 4.46Å; L3-I297 HydrophobicContact CD1-CG2 3.49Å; L3-I297 VanDerWaalsContact CD1-CG2 3.49Å; F36-I297 HydrophobicContact CD1-CG2 3.98Å; F36-I297 HydrophobicContact CD2-CG2 4.25Å; F36-I297 HydrophobicContact CE1-CB 4.28Å; F36-I297 HydrophobicContact CE1-CG2 3.58Å; F36-I297 HydrophobicContact CE2-CB 4.3Å; F36-I297 HydrophobicContact CE2-CG2 3.86Å; F36-I297 HydrophobicContact CG-CG2 4.3Å; F36-I297 HydrophobicContact CZ-CB 3.84Å; F36-I297 HydrophobicContact CZ-CG2 3.5Å; F36-I297 VanDerWaalsContact CZ-CG2 3.5Å; F293-I297 HydrophobicContact CE1-CG1 4.31Å; F293-I297 HydrophobicContact CE2-CD1 4.11Å; F293-I297 HydrophobicContact CE2-CG1 4.07Å; F293-I297 HydrophobicContact CZ-CD1 4.12Å; F293-I297 HydrophobicContact CZ-CG1 3.94Å; F293-I297 WeakPolarHBondContact O-CG1 3.15Å; F293-I297 PolarHBondContact O-N 3.47Å; R294-I297 PolarHBondContact O-N 3.03Å; K295-I297 VanDerWaalsContact C-N 3.33Å; I297-K299 VanDerWaalsContact C-N 3.3Å; I297-K299 PolarHBondContact O-N 3.41Å; I297-L300 PolarHBondContact O-N 3.42Å; I297-L301 HydrophobicContact CG2-CD1 3.81Å; I297-L301 HydrophobicContact CG2-CG 4.25Å; I297-L301 WeakPolarHBondContact O-CB 3.43Å; I297-L301 WeakPolarHBondContact O-CG 3.35Å; I297-L301 PolarHBondContact O-N 2.89Å; I297-I349 HydrophobicContact CD1-CB 4.46Å; I297-I349 HydrophobicContact CD1-CD1 3.94Å; I297-I349 HydrophobicContact CD1-CG1 3.8Å; I297-I349 HydrophobicContact CD1-CG2 3.86Å
298E92Very high92Very high67 Ų6738 Ų3831%0.31321%0.21SC..Hα-helixtrans-56.8-45.8175.8-74.4171.2172.800110.8F36 R294 K295 L301 S302F36-E298 HydrophobicContact CE1-CB 4.48Å; F36-E298 HydrophobicContact CE1-CG 3.61Å; F36-E298 HydrophobicContact CZ-CG 3.78Å; R294-E298 IonicContact CZ-OE1 2.69Å; R294-E298 VanDerWaalsContact CZ-OE1 3.31Å; R294-E298 IonicContact NE-OE1 3.46Å; R294-E298 PolarHBondContact NE-OE1 3.05Å; R294-E298 IonicContact NH2-OE1 2.91Å; R294-E298 PolarHBondContact NH2-OE1 3.33Å; R294-E298 WeakPolarHBondContact O-CG 3.37Å; R294-E298 PolarHBondContact O-N 3.45Å; K295-E298 PolarHBondContact O-N 3.31Å; E298-L301 PolarHBondContact O-N 2.69Å; E298-S302 WeakPolarHBondContact O-CB 3.34Å; E298-S302 PolarHBondContact O-N 3.43Å
299K92.5Very high91.3Very high84 Ų8448.1 Ų48.137%0.36525%0.25SC..Hα-helixtrans-63.1-44.5176.8-169.5172.8175164.20111.9K295 G296 I297 S302 A303 Q355K295-K299 WeakPolarHBondContact O-CB 3.32Å; K295-K299 PolarHBondContact O-N 3.06Å; G296-K299 PolarHBondContact O-N 3.17Å; I297-K299 VanDerWaalsContact C-N 3.3Å; I297-K299 PolarHBondContact O-N 3.41Å; K299-S302 PolarHBondContact O-N 2.91Å; K299-S302 PolarHBondContact O-OG 3.27Å; K299-A303 PolarHBondContact O-N 3.38Å; K299-Q355 PolarHBondContact NZ-O 3Å
300L93.6Very high90.7Very high3 Ų351.2 Ų51.22%0.01628%0.282CS..Hα-helixtrans-61.3-46.9176.8178.763.8000112.2G296 I297 S302 A303 N304 L307 F308 Q348 I349 H352G296-L300 WeakPolarHBondContact O-CB 3.42Å; G296-L300 PolarHBondContact O-N 3.13Å; I297-L300 PolarHBondContact O-N 3.42Å; L300-S302 VanDerWaalsContact C-N 3.32Å; L300-S302 PolarHBondContact O-N 3.21Å; L300-A303 PolarHBondContact O-N 3.1Å; L300-N304 PolarHBondContact O-N 3.33Å; L300-L307 HydrophobicContact CD1-CD2 3.77Å; L300-L307 HydrophobicContact CD2-CD2 3.56Å; L300-L307 HydrophobicContact CG-CD2 3.62Å; L300-F308 HydrophobicContact CD2-CZ 4.23Å; L300-Q348 HydrophobicContact CD1-CB 4.07Å; L300-Q348 HydrophobicContact CD2-CB 4.48Å; L300-I349 HydrophobicContact CD2-CG1 3.61Å; L300-H352 HydrophobicContact CB-CB 4.23Å; L300-H352 VanDerWaalsContact CD1-CE1 3.42Å; L300-H352 WeakPolarHBondContact CD1-CE1 3.36Å
301L91.4Very high90.4Very high7 Ų751.7 Ų51.74%0.03729%0.286CS..Hα-helixtrans-70.7-27.8179.4-73.3177.1000113.1L35 F36 I297 E298 A303 N304 Q305 F308L35-L301 HydrophobicContact CB-CD1 4.49Å; L35-L301 HydrophobicContact CD1-CB 4.39Å; F36-L301 HydrophobicContact CB-CD1 4.45Å; F36-L301 HydrophobicContact CD1-CD1 3.47Å; F36-L301 VanDerWaalsContact CD1-CD1 3.47Å; F36-L301 HydrophobicContact CE1-CD1 4.02Å; F36-L301 HydrophobicContact CG-CD1 4.21Å; I297-L301 HydrophobicContact CG2-CD1 3.81Å; I297-L301 HydrophobicContact CG2-CG 4.25Å; I297-L301 WeakPolarHBondContact O-CB 3.43Å; I297-L301 WeakPolarHBondContact O-CG 3.35Å; I297-L301 PolarHBondContact O-N 2.89Å; E298-L301 PolarHBondContact O-N 2.69Å; L301-A303 PolarHBondContact O-N 3.43Å; L301-N304 CarbonylContact O-C 3.53Å; L301-Q305 WeakPolarHBondContact O-CA 3.4Å; L301-Q305 WeakPolarHBondContact O-CG 3.37Å; L301-Q305 PolarHBondContact O-N 3.35Å; L301-F308 HydrophobicContact CD1-CE2 4.36Å; L301-F308 HydrophobicContact CD2-CD2 3.66Å; L301-F308 HydrophobicContact CD2-CE2 3.65Å; L301-F308 HydrophobicContact CG-CE2 4.11Å
302S89Confident90.1Very high87 Ų8751.7 Ų51.761%0.60828%0.284SS*.Hα-helixtrans-65.1-31.2171.676.20000112.2E298 K299 L300E298-S302 WeakPolarHBondContact O-CB 3.34Å; E298-S302 PolarHBondContact O-N 3.43Å; K299-S302 PolarHBondContact O-N 2.91Å; K299-S302 PolarHBondContact O-OG 3.27Å; L300-S302 VanDerWaalsContact C-N 3.32Å; L300-S302 PolarHBondContact O-N 3.21Å
303A90Very high89.7Confident80 Ų8058.1 Ų58.166%0.66131%0.309SS*.Hα-helixtrans-83.1-36.2176.300000112.8K299 L300 L301K299-A303 PolarHBondContact O-N 3.38Å; L300-A303 PolarHBondContact O-N 3.1Å; L301-A303 PolarHBondContact O-N 3.43Å
304N89.8Confident89.1Confident67 Ų6770.2 Ų70.236%0.35835%0.354SS..  trans-145.292.2178.8-173-5.4000111.6L300 L301 S306 L307L300-N304 PolarHBondContact O-N 3.33Å; L301-N304 CarbonylContact O-C 3.53Å; N304-S306 VanDerWaalsContact C-N 3.26Å; N304-S306 PolarHBondContact O-N 3.17Å; N304-S306 PolarHBondContact OD1-N 3.32Å; N304-S306 PolarHBondContact OD1-OG 2.99Å; N304-S306 VanDerWaalsContact OD1-OG 3.1Å; N304-L307 HydrophobicContact CB-CB 4.3Å; N304-L307 WeakPolarHBondContact O-CB 3.19Å; N304-L307 PolarHBondContact O-N 3.41Å; N304-L307 PolarHBondContact OD1-N 2.86Å
305Q85.2Confident88.4Confident146 Ų14674.2 Ų74.268%0.68237%0.374SS*.THydrogen-bonded Turntrans-66.2-26.1-177.2-66.9-178.11.900113.4L301L301-Q305 WeakPolarHBondContact O-CA 3.4Å; L301-Q305 WeakPolarHBondContact O-CG 3.37Å; L301-Q305 PolarHBondContact O-N 3.35Å
306S86Confident88Confident81 Ų8175.9 Ų75.957%0.56638%0.383SS*.THydrogen-bonded Turntrans-91.61.5-177.262.40000113.7N304 F308 Y309N304-S306 VanDerWaalsContact C-N 3.26Å; N304-S306 PolarHBondContact O-N 3.17Å; N304-S306 PolarHBondContact OD1-N 3.32Å; N304-S306 PolarHBondContact OD1-OG 2.99Å; N304-S306 VanDerWaalsContact OD1-OG 3.1Å; S306-F308 PolarHBondContact O-N 2.93Å; S306-Y309 VanDerWaalsContact O-CB 3.3Å; S306-Y309 WeakPolarHBondContact O-CB 3.29Å; S306-Y309 PolarHBondContact O-N 3.41Å
307L87.7Confident87.7Confident26 Ų2676 Ų7614%0.13638%0.384CS..THydrogen-bonded Turntrans-50.1-38.7-173.2-175.366.6000113.5L300 N304 F345L300-L307 HydrophobicContact CD1-CD2 3.77Å; L300-L307 HydrophobicContact CD2-CD2 3.56Å; L300-L307 HydrophobicContact CG-CD2 3.62Å; N304-L307 HydrophobicContact CB-CB 4.3Å; N304-L307 WeakPolarHBondContact O-CB 3.19Å; N304-L307 PolarHBondContact O-N 3.41Å; N304-L307 PolarHBondContact OD1-N 2.86Å; L307-F345 HydrophobicContact CD1-CD1 4.21Å; L307-F345 HydrophobicContact CD1-CE1 4Å; L307-F345 HydrophobicContact CD2-CD1 4.26Å; L307-F345 HydrophobicContact CG-CD1 4.03Å; L307-F345 HydrophobicContact CG-CE1 3.91Å
308F87.1Confident87.6Confident5 Ų577.8 Ų77.82%0.02239%0.39CS..THydrogen-bonded Turntrans-99.3-2.4-177.3-57.4-54.8000114.7M1 L3 F69 L300 L301 S306 G310 S311 F312 F345 I349M1-F308 HydrophobicContact CE-CB 4.09Å; M1-F308 HydrophobicContact CE-CD2 3.26Å; M1-F308 HydrophobicContact CE-CE2 3.93Å; M1-F308 HydrophobicContact CE-CG 3.96Å; M1-F308 HydrophobicContact SD-CB 3.51Å; M1-F308 VanDerWaalsContact SD-CB 3.51Å; M1-F308 HydrophobicContact SD-CD2 3.89Å; M1-F308 HydrophobicContact SD-CG 3.98Å; L3-F308 HydrophobicContact CD1-CE2 4.39Å; F69-F308 HydrophobicContact CD1-CE1 4.47Å; F69-F308 HydrophobicContact CE1-CD1 4.15Å; F69-F308 AromaticContact CE1-CE1 3.71Å; F69-F308 HydrophobicContact CE1-CE1 3.71Å; F69-F308 HydrophobicContact CE1-CZ 4.07Å; L300-F308 HydrophobicContact CD2-CZ 4.23Å; L301-F308 HydrophobicContact CD1-CE2 4.36Å; L301-F308 HydrophobicContact CD2-CD2 3.66Å; L301-F308 HydrophobicContact CD2-CE2 3.65Å; L301-F308 HydrophobicContact CG-CE2 4.11Å; S306-F308 PolarHBondContact O-N 2.93Å; F308-G310 PolarHBondContact O-N 3.25Å; F308-S311 PolarHBondContact O-N 3.12Å; F308-F312 HydrophobicContact CB-CD2 3.97Å; F308-F312 HydrophobicContact CB-CE2 3.86Å; F308-F312 HydrophobicContact CG-CE2 4.25Å; F308-F345 HydrophobicContact CD1-CD1 4.26Å; F308-F345 AromaticContact CD1-CD2 3.75Å; F308-F345 HydrophobicContact CD1-CD2 3.75Å; F308-F345 HydrophobicContact CD1-CE1 4.14Å; F308-F345 AromaticContact CD1-CE2 3.59Å; F308-F345 HydrophobicContact CD1-CE2 3.59Å; F308-F345 HydrophobicContact CD1-CG 4.09Å; F308-F345 AromaticContact CD1-CZ 3.82Å; F308-F345 HydrophobicContact CD1-CZ 3.82Å; F308-F345 HydrophobicContact CE1-CB 4.07Å; F308-F345 AromaticContact CE1-CD1 3.94Å; F308-F345 HydrophobicContact CE1-CD1 3.94Å; F308-F345 AromaticContact CE1-CD2 3.58Å; F308-F345 HydrophobicContact CE1-CD2 3.58Å; F308-F345 HydrophobicContact CE1-CE1 4.29Å; F308-F345 AromaticContact CE1-CE2 3.94Å; F308-F345 HydrophobicContact CE1-CE2 3.94Å; F308-F345 AromaticContact CE1-CG 3.58Å; F308-F345 HydrophobicContact CE1-CG 3.58Å; F308-F345 HydrophobicContact CE1-CZ 4.3Å; F308-I349 HydrophobicContact CZ-CD1 4.46Å
309Y79.5Confident87.6Confident213 Ų21374.9 Ų74.984%0.83538%0.377SS*.THydrogen-bonded Turntrans-58.5-28.7-167.6-171.3-99.1000113.7S306S306-Y309 VanDerWaalsContact O-CB 3.3Å; S306-Y309 WeakPolarHBondContact O-CB 3.29Å; S306-Y309 PolarHBondContact O-N 3.41Å
310G82.9Confident87.2Confident66 Ų6672.3 Ų72.368%0.6838%0.375SS*.THydrogen-bonded Turntrans-93.3-8.3176.800000116.1F308F308-G310 PolarHBondContact O-N 3.25Å
311S89.4Confident87Confident15 Ų1574.1 Ų74.111%0.10539%0.394CS..THydrogen-bonded Turntrans-104.12.3-168.4-47.50000113.2F308 Y317 W318 E344 F345F308-S311 PolarHBondContact O-N 3.12Å; S311-Y317 CarbonylContact O-C 3.38Å; S311-Y317 WeakPolarHBondContact O-CD2 3.2Å; S311-W318 PolarHBondContact O-N 2.96Å; S311-E344 PolarHBondContact OG-OE1 2.62Å; S311-F345 VanDerWaalsContact OG-CZ 3.3Å; S311-F345 WeakPolarHBondContact OG-CZ 3.13Å
312F87.4Confident87Confident38 Ų3877 Ų7717%0.16741%0.405CS..EExtended strand (participates in β ladder)trans-117.9127.6177.4-77.4-93.9000110.9M1 K2 L3 F69 F308 Q316 Y317M1-F312 HydrophobicContact CE-CE2 4.5Å; M1-F312 HydrophobicContact CG-CD1 4.15Å; M1-F312 HydrophobicContact CG-CD2 4.11Å; M1-F312 HydrophobicContact CG-CE1 4.02Å; M1-F312 HydrophobicContact CG-CE2 4.01Å; M1-F312 HydrophobicContact CG-CG 4.19Å; M1-F312 HydrophobicContact CG-CZ 3.96Å; M1-F312 HydrophobicContact SD-CD2 3.48Å; M1-F312 WeakPolarHBondContact SD-CD2 3.24Å; M1-F312 HydrophobicContact SD-CE1 4.35Å; M1-F312 HydrophobicContact SD-CE2 3.26Å; M1-F312 WeakPolarHBondContact SD-CE2 3.15Å; M1-F312 HydrophobicContact SD-CG 4.15Å; M1-F312 HydrophobicContact SD-CZ 3.74Å; K2-F312 WeakPolarHBondContact O-CE1 3.37Å; L3-F312 HydrophobicContact CD2-CE2 4.25Å; L3-F312 HydrophobicContact CD2-CZ 3.65Å; F69-F312 HydrophobicContact CE1-CZ 4.43Å; F69-F312 AromaticContact CE2-CZ 3.97Å; F69-F312 HydrophobicContact CE2-CZ 3.97Å; F69-F312 AromaticContact CZ-CE2 3.88Å; F69-F312 HydrophobicContact CZ-CE2 3.88Å; F69-F312 AromaticContact CZ-CZ 3.53Å; F69-F312 HydrophobicContact CZ-CZ 3.53Å; F308-F312 HydrophobicContact CB-CD2 3.97Å; F308-F312 HydrophobicContact CB-CE2 3.86Å; F308-F312 HydrophobicContact CG-CE2 4.25Å; F312-Q316 WeakPolarHBondContact CA-O 3.37Å; F312-Y317 HydrophobicContact CE2-CD2 4.16Å; F312-Y317 HydrophobicContact CZ-CD2 4.2Å
313R86.5Confident87.1Confident136 Ų13673.2 Ų73.251%0.51338%0.378SS..EExtended strand (participates in β ladder)trans-128.5122170.7-55.8177.1179.2172.3-3.9108.3E315 Q316 W318R313-E315 VanDerWaalsContact C-N 3.33Å; R313-E315 PolarHBondContact O-N 3.49Å; R313-Q316 PolarHBondContact N-O 2.79Å; R313-Q316 WeakPolarHBondContact O-CB 3.5Å; R313-Q316 PolarHBondContact O-N 3.38Å; R313-W318 HydrophobicContact CG-CD2 4.47Å; R313-W318 HydrophobicContact CG-CG 4.27Å
314R83.1Confident87.1Confident253 Ų25369.5 Ų69.596%0.95535%0.348SS*.THydrogen-bonded Turntrans50.748.7-177.3-58.6-179.5177.9177.9-1113Q316R314-Q316 PolarHBondContact O-N 3.44Å
315E79.5Confident87.3Confident118 Ų11866.3 Ų66.355%0.55133%0.331SS*.THydrogen-bonded Turntrans62.12.6-176.6-51.7-166.6150.800116.3K2 R313K2-E315 WeakPolarHBondContact CE-OE2 3.46Å; K2-E315 IonicContact NZ-OE1 3.53Å; K2-E315 IonicContact NZ-OE2 2.82Å; K2-E315 PolarHBondContact NZ-OE2 2.95Å; R313-E315 VanDerWaalsContact C-N 3.33Å; R313-E315 PolarHBondContact O-N 3.49Å
316Q85.4Confident87.7Confident101 Ų10160.7 Ų60.747%0.47230%0.303SS..EExtended strand (participates in β ladder)trans-94.4139.7174.4-168.8173.713.700110.1F312 R313 R314 W318F312-Q316 WeakPolarHBondContact CA-O 3.37Å; R313-Q316 PolarHBondContact N-O 2.79Å; R313-Q316 WeakPolarHBondContact O-CB 3.5Å; R313-Q316 PolarHBondContact O-N 3.38Å; R314-Q316 PolarHBondContact O-N 3.44Å; Q316-W318 VanDerWaalsContact O-CD1 3.27Å
317Y90.1Very high88.1Confident3 Ų357.8 Ų57.81%0.01228%0.283CS..EExtended strand (participates in β ladder)trans-77.3135.6173.2173.5-119.2000111.2F69 S311 F312 N319 G324 F343 E344 F345F69-Y317 AromaticContact CE2-CD1 3.88Å; F69-Y317 HydrophobicContact CE2-CD1 3.88Å; F69-Y317 AromaticContact CE2-CD2 3.89Å; F69-Y317 HydrophobicContact CE2-CD2 3.89Å; F69-Y317 HydrophobicContact CE2-CE1 4.42Å; F69-Y317 HydrophobicContact CE2-CE2 4.46Å; F69-Y317 AromaticContact CE2-CG 3.59Å; F69-Y317 HydrophobicContact CE2-CG 3.59Å; F69-Y317 HydrophobicContact CZ-CD1 4.32Å; F69-Y317 AromaticContact CZ-CD2 3.58Å; F69-Y317 HydrophobicContact CZ-CD2 3.58Å; F69-Y317 AromaticContact CZ-CE2 3.96Å; F69-Y317 HydrophobicContact CZ-CE2 3.96Å; F69-Y317 AromaticContact CZ-CG 3.82Å; F69-Y317 HydrophobicContact CZ-CG 3.82Å; S311-Y317 CarbonylContact O-C 3.38Å; S311-Y317 WeakPolarHBondContact O-CD2 3.2Å; F312-Y317 HydrophobicContact CE2-CD2 4.16Å; F312-Y317 HydrophobicContact CZ-CD2 4.2Å; Y317-N319 HydrophobicContact CE1-CB 3.72Å; Y317-N319 WeakPolarHBondContact OH-CB 3.44Å; Y317-G324 PolarHBondContact O-N 3.44Å; Y317-F343 AromaticContact CE1-CD2 3.82Å; Y317-F343 HydrophobicContact CE1-CD2 3.82Å; Y317-F343 AromaticContact CE1-CE2 3.74Å; Y317-F343 HydrophobicContact CE1-CE2 3.74Å; Y317-F343 HydrophobicContact CE2-CE2 4.39Å; Y317-F343 AromaticContact CZ-CD2 3.84Å; Y317-F343 AromaticContact CZ-CE2 3.59Å; Y317-F343 WeakPolarHBondContact OH-CD2 3.47Å; Y317-F343 WeakPolarHBondContact OH-CE2 3.5Å; Y317-E344 VanDerWaalsContact CE2-OE1 3.31Å; Y317-E344 WeakPolarHBondContact CE2-OE1 3.39Å; Y317-E344 WeakPolarHBondContact OH-CG 3.39Å; Y317-E344 PolarHBondContact OH-OE1 3.37Å; Y317-F345 HydrophobicContact CE2-CD2 4.18Å; Y317-F345 AromaticContact CE2-CE2 3.88Å; Y317-F345 HydrophobicContact CE2-CE2 3.88Å
318W91.5Very high88.4Confident38 Ų3859.5 Ų59.514%0.14430%0.295CS..EExtended strand (participates in β ladder)trans-121.7112178.2-73.464.9000109.6S311 R313 Q316 G321 Y322 P323S311-W318 PolarHBondContact O-N 2.96Å; R313-W318 HydrophobicContact CG-CD2 4.47Å; R313-W318 HydrophobicContact CG-CG 4.27Å; Q316-W318 VanDerWaalsContact O-CD1 3.27Å; W318-G321 VanDerWaalsContact CE3-C 3.45Å; W318-G321 WeakPolarHBondContact CZ3-O 3.14Å; W318-Y322 CarbonylContact C-O 3.6Å; W318-Y322 WeakPolarHBondContact CA-O 3.25Å; W318-P323 HydrophobicContact CD2-CB 4.48Å; W318-P323 HydrophobicContact CZ2-CB 4.35Å
319N91.3Very high88.6Confident5 Ų560.2 Ų60.23%0.02730%0.3CS..EExtended strand (participates in β ladder)trans-91.4110.2176.8-173.66.4000109.6Y317 G321 Y322 T325 K341 P342Y317-N319 HydrophobicContact CE1-CB 3.72Å; Y317-N319 WeakPolarHBondContact OH-CB 3.44Å; N319-G321 VanDerWaalsContact C-N 3.27Å; N319-G321 PolarHBondContact O-N 3.47Å; N319-Y322 PolarHBondContact N-O 3.46Å; N319-Y322 PolarHBondContact O-N 3.39Å; N319-T325 PolarHBondContact ND2-OG1 3.47Å; N319-K341 PolarHBondContact ND2-O 3.49Å; N319-P342 PolarHBondContact ND2-O 3.28Å; N319-P342 PolarHBondContact OD1-O 3.05Å
320G85.8Confident89.1Confident31 Ų3154.6 Ų54.632%0.3230%0.297SS..THydrogen-bonded Turntrans57.834.9178.200000115.7
321G88.2Confident89.4Confident41 Ų4157.7 Ų57.742%0.42329%0.294SS..THydrogen-bonded Turntrans91.53.6176.600000115.3W318 N319W318-G321 VanDerWaalsContact CE3-C 3.45Å; W318-G321 WeakPolarHBondContact CZ3-O 3.14Å; N319-G321 VanDerWaalsContact C-N 3.27Å; N319-G321 PolarHBondContact O-N 3.47Å
322Y91.9Very high89.4Confident66 Ų6657.1 Ų57.126%0.25929%0.29SS..EExtended strand (participates in β ladder)trans-124.6149.3173.1-62.5-90.5000111.9W318 N319 Y335 R338 P339W318-Y322 CarbonylContact C-O 3.6Å; W318-Y322 WeakPolarHBondContact CA-O 3.25Å; N319-Y322 PolarHBondContact N-O 3.46Å; N319-Y322 PolarHBondContact O-N 3.39Å; Y322-Y335 AromaticContact CD1-CD1 3.96Å; Y322-Y335 HydrophobicContact CD1-CD1 3.96Å; Y322-Y335 HydrophobicContact CD1-CD2 4.4Å; Y322-Y335 AromaticContact CD1-CG 3.84Å; Y322-Y335 HydrophobicContact CD1-CG 3.84Å; Y322-Y335 HydrophobicContact CE1-CD1 4.03Å; Y322-Y335 HydrophobicContact CE1-CG 4.15Å; Y322-R338 HydrophobicContact CD1-CB 4.35Å; Y322-R338 HydrophobicContact CD1-CG 4.27Å; Y322-R338 HydrophobicContact CD2-CG 4.36Å; Y322-R338 HydrophobicContact CE1-CB 4.3Å; Y322-R338 HydrophobicContact CG-CG 4.18Å; Y322-P339 HydrophobicContact CE2-CG 4.15Å
323P91.2Very high89.6Confident8 Ų864.4 Ų64.45%0.05232%0.324CS..EExtended strand (participates in β ladder)trans-68.9134.4-17926.6-32.8000111.7W318 Y335 R338W318-P323 HydrophobicContact CD2-CB 4.48Å; W318-P323 HydrophobicContact CZ2-CB 4.35Å; P323-Y335 HydrophobicContact CG-CD2 4.31Å; P323-Y335 HydrophobicContact CG-CE2 3.61Å; P323-R338 PolarHBondContact O-NH1 3.1Å; P323-R338 VanDerWaalsContact O-NH1 3.15Å; P323-R338 PolarHBondContact O-NH2 3.07Å
324G90.5Very high89.8Confident2 Ų264.4 Ų64.42%0.02133%0.33CS..BIsolated β-bridgetrans62.6-176.9178.200000114.7Y317 R338Y317-G324 PolarHBondContact O-N 3.44Å; G324-R338 PolarHBondContact O-NH1 2.71Å
325T93.2Very high90.3Very high1 Ų155.5 Ų55.51%0.00630%0.297CS..  trans-116.1117.2178.8-60.50000109.1L64 K65 M90 N319L64-T325 CarbonylContact C-O 3.55Å; L64-T325 VanDerWaalsContact CB-O 3.26Å; L64-T325 WeakPolarHBondContact CB-O 3.37Å; L64-T325 PolarHBondContact O-N 2.75Å; K65-T325 PolarHBondContact N-O 2.96Å; K65-T325 VanDerWaalsContact N-O 3.08Å; M90-T325 HydrophobicContact CE-CG2 3.43Å; M90-T325 VanDerWaalsContact CE-CG2 3.43Å; N319-T325 PolarHBondContact ND2-OG1 3.47Å
326Y94.2Very high90.8Very high27 Ų2754.5 Ų54.511%0.10630%0.301CS..  trans-99.2128-177.4-86.3-112.1000110.9K65 M90 D332 R338K65-Y326 HydrophobicContact CB-CE2 4.44Å; K65-Y326 HydrophobicContact CD-CE1 3.85Å; K65-Y326 HydrophobicContact CD-CE2 4.32Å; K65-Y326 WeakPolarHBondContact CE-OH 3.34Å; K65-Y326 HydrophobicContact CG-CD2 4.49Å; K65-Y326 HydrophobicContact CG-CE1 4.24Å; K65-Y326 HydrophobicContact CG-CE2 3.84Å; M90-Y326 VanDerWaalsContact CE-O 3.28Å; M90-Y326 WeakPolarHBondContact CE-O 3.42Å; Y326-D332 HydrophobicContact CD1-CB 3.97Å; Y326-D332 HydrophobicContact CE1-CB 3.64Å; Y326-R338 VanDerWaalsContact CE2-NH2 3.28Å
327C94.4Very high91Very high21 Ų2156.9 Ų56.914%0.14232%0.317CS..SBendtrans-66.3-42.5170.6-62.60000112.2C61C61-C327 WeakPolarHBondContact CA-SG 3.32Å; C61-C327 HydrophobicContact CB-CB 3.74Å; C61-C327 WeakPolarHBondContact CB-SG 3.46Å; C61-C327 WeakPolarHBondContact SG-CB 3.39Å; C61-C327 CovalentContact SG-SG 2.03Å; C61-C327 PolarHBondContact SG-SG 3.41Å
328V92.7Very high91.1Very high62 Ų6257.7 Ų57.738%0.37632%0.32SS..  trans-123.589.5-177.4-171.80000107.9A330 E331V328-A330 HydrophobicContact CG1-CB 4.38Å; V328-A330 PolarHBondContact O-N 3.21Å; V328-A330 VanDerWaalsContact O-N 3.14Å; V328-E331 HydrophobicContact CB-CG 4.09Å; V328-E331 HydrophobicContact CG1-CG 3.79Å; V328-E331 PolarHBondContact O-N 3.17Å; V328-E331 VanDerWaalsContact O-N 3.07Å
329P91.9Very high91.2Very high20 Ų2059.3 Ų59.313%0.1334%0.335CS..G310 helixtrans-58.2-27.2-177.2-24.932.6000114.2E331 D332 R338 F340P329-E331 PolarHBondContact O-N 3.11Å; P329-D332 WeakPolarHBondContact O-CB 3.19Å; P329-D332 PolarHBondContact O-N 3.37Å; P329-R338 HydrophobicContact CB-CB 4.22Å; P329-R338 HydrophobicContact CB-CG 4.12Å; P329-R338 WeakPolarHBondContact CB-O 3.16Å; P329-F340 HydrophobicContact CG-CB 3.95Å; P329-F340 HydrophobicContact CG-CD2 4.16Å
330A90.4Very high91.3Very high95 Ų9563.6 Ų63.679%0.78535%0.354SS*.G310 helixtrans-64.3-17.9177.500000113.9V328V328-A330 HydrophobicContact CG1-CB 4.38Å; V328-A330 PolarHBondContact O-N 3.21Å; V328-A330 VanDerWaalsContact O-N 3.14Å
331E88.2Confident91.7Very high130 Ų13066.5 Ų66.561%0.60736%0.357SS*.G310 helixtrans-89.2-0.3175.7-63.9176.8174.700112.6V328 P329 E333V328-E331 HydrophobicContact CB-CG 4.09Å; V328-E331 HydrophobicContact CG1-CG 3.79Å; V328-E331 PolarHBondContact O-N 3.17Å; V328-E331 VanDerWaalsContact O-N 3.07Å; P329-E331 PolarHBondContact O-N 3.11Å; E331-E333 PolarHBondContact O-N 3.12Å; E331-E333 VanDerWaalsContact O-N 3.12Å
332D90.7Very high91.9Very high4 Ų466.2 Ų66.22%0.02135%0.348CS..  trans-79.891.5176.4-166.4-17.3000111Y326 P329 Q334 Y335 R338Y326-D332 HydrophobicContact CD1-CB 3.97Å; Y326-D332 HydrophobicContact CE1-CB 3.64Å; P329-D332 WeakPolarHBondContact O-CB 3.19Å; P329-D332 PolarHBondContact O-N 3.37Å; D332-Q334 PolarHBondContact O-N 3.27Å; D332-Q334 WeakPolarHBondContact OD1-CB 3.39Å; D332-Q334 PolarHBondContact OD1-N 3.48Å; D332-Y335 CarbonylContact O-C 3.47Å; D332-Y335 VanDerWaalsContact O-C 3.27Å; D332-Y335 PolarHBondContact O-N 2.77Å; D332-Y335 PolarHBondContact OD1-N 3.36Å; D332-R338 IonicContact OD2-CZ 3.84Å; D332-R338 IonicContact OD2-NE 2.65Å; D332-R338 PolarHBondContact OD2-NE 3.41Å; D332-R338 IonicContact OD2-NH2 2.72Å; D332-R338 PolarHBondContact OD2-NH2 3.06Å
333E90.8Very high92.1Very high190 Ų19063.2 Ų63.289%0.88834%0.337SS*.SBendtrans-59.2-28.6175.6-64.5-178.6178.300113.1E331E331-E333 PolarHBondContact O-N 3.12Å; E331-E333 VanDerWaalsContact O-N 3.12Å
334Q91.7Very high92.1Very high136 Ų13666.1 Ų66.164%0.63635%0.35SS*.SBendtrans-81.3-32.7-177.3-169.7179.47.700111.9D332D332-Q334 PolarHBondContact O-N 3.27Å; D332-Q334 WeakPolarHBondContact OD1-CB 3.39Å; D332-Q334 PolarHBondContact OD1-N 3.48Å
335Y92.4Very high92.3Very high67 Ų6766.8 Ų66.826%0.26335%0.352SS..  trans-130.875.8178.5-58.4-82.1000111.2Y322 P323 D332 N337 R338Y322-Y335 AromaticContact CD1-CD1 3.96Å; Y322-Y335 HydrophobicContact CD1-CD1 3.96Å; Y322-Y335 HydrophobicContact CD1-CD2 4.4Å; Y322-Y335 AromaticContact CD1-CG 3.84Å; Y322-Y335 HydrophobicContact CD1-CG 3.84Å; Y322-Y335 HydrophobicContact CE1-CD1 4.03Å; Y322-Y335 HydrophobicContact CE1-CG 4.15Å; P323-Y335 HydrophobicContact CG-CD2 4.31Å; P323-Y335 HydrophobicContact CG-CE2 3.61Å; D332-Y335 CarbonylContact O-C 3.47Å; D332-Y335 VanDerWaalsContact O-C 3.27Å; D332-Y335 PolarHBondContact O-N 2.77Å; D332-Y335 PolarHBondContact OD1-N 3.36Å; Y335-N337 PolarHBondContact O-N 3.38Å; Y335-R338 VanDerWaalsContact O-CB 3.28Å; Y335-R338 WeakPolarHBondContact O-CB 3.44Å; Y335-R338 PolarHBondContact O-N 2.67Å
336P89.8Confident92.3Very high96 Ų9666.7 Ų66.762%0.62335%0.351SS*.THydrogen-bonded Turntrans-58.7-24.5-174.1-26.735.1000114.9
337N90.6Very high92.3Very high151 Ų15171.6 Ų71.681%0.80737%0.37SS*.THydrogen-bonded Turntrans-96.815.8-180-63.2-32.1000113.3Y335 P339Y335-N337 PolarHBondContact O-N 3.38Å; N337-P339 WeakPolarHBondContact O-CD 3.5Å
338R92.6Very high92.3Very high20 Ų2074.5 Ų74.58%0.07538%0.381CS..PPolyproline II helixtrans-61.2125179.7177.6-170-72.3-111.48.8110.1Y322 P323 G324 Y326 P329 D332 Y335Y322-R338 HydrophobicContact CD1-CB 4.35Å; Y322-R338 HydrophobicContact CD1-CG 4.27Å; Y322-R338 HydrophobicContact CD2-CG 4.36Å; Y322-R338 HydrophobicContact CE1-CB 4.3Å; Y322-R338 HydrophobicContact CG-CG 4.18Å; P323-R338 PolarHBondContact O-NH1 3.1Å; P323-R338 VanDerWaalsContact O-NH1 3.15Å; P323-R338 PolarHBondContact O-NH2 3.07Å; G324-R338 PolarHBondContact O-NH1 2.71Å; Y326-R338 VanDerWaalsContact CE2-NH2 3.28Å; P329-R338 HydrophobicContact CB-CB 4.22Å; P329-R338 HydrophobicContact CB-CG 4.12Å; P329-R338 WeakPolarHBondContact CB-O 3.16Å; D332-R338 IonicContact OD2-CZ 3.84Å; D332-R338 IonicContact OD2-NE 2.65Å; D332-R338 PolarHBondContact OD2-NE 3.41Å; D332-R338 IonicContact OD2-NH2 2.72Å; D332-R338 PolarHBondContact OD2-NH2 3.06Å; Y335-R338 VanDerWaalsContact O-CB 3.28Å; Y335-R338 WeakPolarHBondContact O-CB 3.44Å; Y335-R338 PolarHBondContact O-N 2.67Å
339P92.9Very high92.5Very high73 Ų7371.5 Ų71.547%0.47436%0.363SS..PPolyproline II helixtrans-74.4152.1172.131.5-33.8000111Y322 N337 K341Y322-P339 HydrophobicContact CE2-CG 4.15Å; N337-P339 WeakPolarHBondContact O-CD 3.5Å; P339-K341 PolarHBondContact O-N 2.85Å
340F93.4Very high92.6Very high95 Ų9570.8 Ų70.842%0.41736%0.358SS..PPolyproline II helixtrans-63122.4166.4179.9-97.2000109.6E89 M90 P329E89-F340 HydrophobicContact CG-CZ 4.11Å; M90-F340 HydrophobicContact CE-CE2 4.15Å; M90-F340 HydrophobicContact SD-CE2 3.61Å; M90-F340 HydrophobicContact SD-CZ 3.82Å; P329-F340 HydrophobicContact CG-CB 3.95Å; P329-F340 HydrophobicContact CG-CD2 4.16Å
341K93.4Very high92.9Very high91 Ų9169.5 Ų69.540%0.39634%0.341SS..  trans-141.6117.4177.3-172.3169.2175.6167.60109.8N319 P339N319-K341 PolarHBondContact ND2-O 3.49Å; P339-K341 PolarHBondContact O-N 2.85Å
342P93.7Very high93.2Very high36 Ų3665.1 Ų65.123%0.23432%0.32CS..  trans-67.5168.317629.9-35.2000110.7H91 N319 E344H91-P342 HydrophobicContact CB-CB 4.12Å; N319-P342 PolarHBondContact ND2-O 3.28Å; N319-P342 PolarHBondContact OD1-O 3.05Å; P342-E344 PolarHBondContact O-N 2.96Å
343F94.4Very high93.5Very high3 Ų365 Ų651%0.01332%0.319CS..  trans-65.1120.8-179.4177.9-133.5000111.6F69 M90 H91 V92 Y317 F345 G346 I349F69-F343 HydrophobicContact CB-CZ 4.16Å; F69-F343 HydrophobicContact CD1-CE1 4.49Å; F69-F343 HydrophobicContact CD1-CE2 4.24Å; F69-F343 AromaticContact CD1-CZ 3.53Å; F69-F343 HydrophobicContact CD1-CZ 3.53Å; F69-F343 HydrophobicContact CD2-CZ 4.33Å; F69-F343 HydrophobicContact CE1-CE2 4.18Å; F69-F343 AromaticContact CE1-CZ 3.86Å; F69-F343 HydrophobicContact CE1-CZ 3.86Å; F69-F343 HydrophobicContact CE2-CE2 4.49Å; F69-F343 HydrophobicContact CG-CE2 4.37Å; F69-F343 AromaticContact CG-CZ 3.75Å; F69-F343 HydrophobicContact CG-CZ 3.75Å; F69-F343 HydrophobicContact CZ-CE2 4.29Å; F69-F343 HydrophobicContact CZ-CZ 4.37Å; M90-F343 VanDerWaalsContact O-CB 3.31Å; M90-F343 WeakPolarHBondContact O-CB 3.33Å; M90-F343 PolarHBondContact O-N 3.05Å; H91-F343 WeakPolarHBondContact O-CD1 3.38Å; V92-F343 HydrophobicContact CG2-CB 3.68Å; V92-F343 HydrophobicContact CG2-CD1 4.08Å; V92-F343 HydrophobicContact CG2-CG 4.16Å; Y317-F343 AromaticContact CE1-CD2 3.82Å; Y317-F343 HydrophobicContact CE1-CD2 3.82Å; Y317-F343 AromaticContact CE1-CE2 3.74Å; Y317-F343 HydrophobicContact CE1-CE2 3.74Å; Y317-F343 HydrophobicContact CE2-CE2 4.39Å; Y317-F343 AromaticContact CZ-CD2 3.84Å; Y317-F343 AromaticContact CZ-CE2 3.59Å; Y317-F343 WeakPolarHBondContact OH-CD2 3.47Å; Y317-F343 WeakPolarHBondContact OH-CE2 3.5Å; F343-F345 VanDerWaalsContact C-N 3.34Å; F343-F345 HydrophobicContact CE1-CB 4.15Å; F343-F345 HydrophobicContact CE2-CB 4.13Å; F343-F345 AromaticContact CE2-CD2 3.94Å; F343-F345 HydrophobicContact CE2-CD2 3.94Å; F343-F345 HydrophobicContact CZ-CB 3.73Å; F343-F345 HydrophobicContact CZ-CD2 4.24Å; F343-F345 PolarHBondContact O-N 3.4Å; F343-G346 PolarHBondContact O-N 3.47Å; F343-I349 HydrophobicContact CE1-CD1 3.7Å; F343-I349 HydrophobicContact CZ-CD1 3.72Å
344E92.2Very high93.7Very high69 Ų6957.7 Ų57.732%0.32229%0.285SS..THydrogen-bonded Turntrans-69.2-28.5-168.874.6-157144.900114.1S311 Y317 P342S311-E344 PolarHBondContact OG-OE1 2.62Å; Y317-E344 VanDerWaalsContact CE2-OE1 3.31Å; Y317-E344 WeakPolarHBondContact CE2-OE1 3.39Å; Y317-E344 WeakPolarHBondContact OH-CG 3.39Å; Y317-E344 PolarHBondContact OH-OE1 3.37Å; P342-E344 PolarHBondContact O-N 2.96Å
345F93.6Very high93.9Very high15 Ų1556 Ų567%0.06628%0.277CS..THydrogen-bonded Turntrans-97.6-1.9-177-57.3-64.7000114F69 L307 F308 S311 Y317 F343 R347 Q348 I349F69-F345 HydrophobicContact CE1-CD2 4.41Å; L307-F345 HydrophobicContact CD1-CD1 4.21Å; L307-F345 HydrophobicContact CD1-CE1 4Å; L307-F345 HydrophobicContact CD2-CD1 4.26Å; L307-F345 HydrophobicContact CG-CD1 4.03Å; L307-F345 HydrophobicContact CG-CE1 3.91Å; F308-F345 HydrophobicContact CD1-CD1 4.26Å; F308-F345 AromaticContact CD1-CD2 3.75Å; F308-F345 HydrophobicContact CD1-CD2 3.75Å; F308-F345 HydrophobicContact CD1-CE1 4.14Å; F308-F345 AromaticContact CD1-CE2 3.59Å; F308-F345 HydrophobicContact CD1-CE2 3.59Å; F308-F345 HydrophobicContact CD1-CG 4.09Å; F308-F345 AromaticContact CD1-CZ 3.82Å; F308-F345 HydrophobicContact CD1-CZ 3.82Å; F308-F345 HydrophobicContact CE1-CB 4.07Å; F308-F345 AromaticContact CE1-CD1 3.94Å; F308-F345 HydrophobicContact CE1-CD1 3.94Å; F308-F345 AromaticContact CE1-CD2 3.58Å; F308-F345 HydrophobicContact CE1-CD2 3.58Å; F308-F345 HydrophobicContact CE1-CE1 4.29Å; F308-F345 AromaticContact CE1-CE2 3.94Å; F308-F345 HydrophobicContact CE1-CE2 3.94Å; F308-F345 AromaticContact CE1-CG 3.58Å; F308-F345 HydrophobicContact CE1-CG 3.58Å; F308-F345 HydrophobicContact CE1-CZ 4.3Å; S311-F345 VanDerWaalsContact OG-CZ 3.3Å; S311-F345 WeakPolarHBondContact OG-CZ 3.13Å; Y317-F345 HydrophobicContact CE2-CD2 4.18Å; Y317-F345 AromaticContact CE2-CE2 3.88Å; Y317-F345 HydrophobicContact CE2-CE2 3.88Å; F343-F345 VanDerWaalsContact C-N 3.34Å; F343-F345 HydrophobicContact CE1-CB 4.15Å; F343-F345 HydrophobicContact CE2-CB 4.13Å; F343-F345 AromaticContact CE2-CD2 3.94Å; F343-F345 HydrophobicContact CE2-CD2 3.94Å; F343-F345 HydrophobicContact CZ-CB 3.73Å; F343-F345 HydrophobicContact CZ-CD2 4.24Å; F343-F345 PolarHBondContact O-N 3.4Å; F345-R347 PolarHBondContact O-N 2.89Å; F345-Q348 PolarHBondContact O-N 3.22Å; F345-I349 HydrophobicContact CB-CD1 3.7Å; F345-I349 HydrophobicContact CB-CG1 4.26Å; F345-I349 WeakPolarHBondContact O-CG1 3.39Å; F345-I349 PolarHBondContact O-N 3.14Å
346G94.1Very high94Very high0 Ų053.2 Ų53.20%027%0.267CS..Hα-helixtrans-48-55.6-173.600000115.1H91 F343 Q348 I349 T350H91-G346 WeakPolarHBondContact O-CA 3.44Å; F343-G346 PolarHBondContact O-N 3.47Å; G346-Q348 PolarHBondContact O-N 3.12Å; G346-I349 PolarHBondContact O-N 3.12Å; G346-T350 WeakPolarHBondContact O-CB 3.49Å; G346-T350 PolarHBondContact O-N 2.95Å; G346-T350 PolarHBondContact O-OG1 2.92Å; G346-T350 VanDerWaalsContact O-OG1 3.06Å
347R95Very high94.2Very high130 Ų13052.3 Ų52.349%0.49127%0.268SS..Hα-helixtrans-62-46.7-175.9-68.8-178.8-175.1-123.71.9111.2E107 F108 F345 I349 T350 T351E107-R347 IonicContact OE1-CZ 2.77Å; E107-R347 IonicContact OE1-NH1 3.36Å; E107-R347 PolarHBondContact OE1-NH1 3.22Å; F108-R347 HydrophobicContact CE1-CB 4.39Å; F108-R347 HydrophobicContact CE1-CG 3.65Å; F108-R347 HydrophobicContact CZ-CG 3.56Å; F345-R347 PolarHBondContact O-N 2.89Å; R347-I349 PolarHBondContact O-N 3.16Å; R347-T350 PolarHBondContact O-N 3.18Å; R347-T351 WeakPolarHBondContact O-CB 3.49Å; R347-T351 PolarHBondContact O-N 3.4Å; R347-T351 PolarHBondContact O-OG1 3.13Å
348Q94.2Very high94.2Very high81 Ų8145.6 Ų45.638%0.37923%0.231SC..Hα-helixtrans-61.1-47.1179.6-62.8-179.843.400110.6L300 F345 G346 T351 H352L300-Q348 HydrophobicContact CD1-CB 4.07Å; L300-Q348 HydrophobicContact CD2-CB 4.48Å; F345-Q348 PolarHBondContact O-N 3.22Å; G346-Q348 PolarHBondContact O-N 3.12Å; Q348-T351 PolarHBondContact O-N 3.22Å; Q348-H352 PolarHBondContact O-N 2.9Å; Q348-H352 PolarHBondContact O-ND1 3.01Å
349I95.4Very high93.9Very high0 Ų049.5 Ų49.50%025%0.25CS..Hα-helixtrans-62.1-50.4179.4-67.4168.4000110.5F69 P93 F293 I297 L300 F308 F343 F345 G346 R347 T351 H352 I353F69-I349 HydrophobicContact CD1-CD1 3.81Å; P93-I349 HydrophobicContact CG-CB 4.07Å; P93-I349 HydrophobicContact CG-CG2 3.63Å; F293-I349 HydrophobicContact CE2-CG2 3.94Å; I297-I349 HydrophobicContact CD1-CB 4.46Å; I297-I349 HydrophobicContact CD1-CD1 3.94Å; I297-I349 HydrophobicContact CD1-CG1 3.8Å; I297-I349 HydrophobicContact CD1-CG2 3.86Å; L300-I349 HydrophobicContact CD2-CG1 3.61Å; F308-I349 HydrophobicContact CZ-CD1 4.46Å; F343-I349 HydrophobicContact CE1-CD1 3.7Å; F343-I349 HydrophobicContact CZ-CD1 3.72Å; F345-I349 HydrophobicContact CB-CD1 3.7Å; F345-I349 HydrophobicContact CB-CG1 4.26Å; F345-I349 WeakPolarHBondContact O-CG1 3.39Å; F345-I349 PolarHBondContact O-N 3.14Å; G346-I349 PolarHBondContact O-N 3.12Å; R347-I349 PolarHBondContact O-N 3.16Å; I349-T351 PolarHBondContact O-N 3.33Å; I349-H352 PolarHBondContact O-N 3.12Å; I349-I353 HydrophobicContact CG2-CD1 3.67Å; I349-I353 HydrophobicContact CG2-CG1 4.3Å; I349-I353 VanDerWaalsContact O-CG1 3.28Å; I349-I353 WeakPolarHBondContact O-CG1 3.25Å; I349-I353 PolarHBondContact O-N 3.44Å
350T95.9Very high93.6Very high5 Ų546.1 Ų46.13%0.03123%0.229CC..Hα-helixtrans-56.4-47.5177.7-62.20000111.7P93 F108 I110 G346 R347 H352 I353 K354P93-T350 WeakPolarHBondContact CG-OG1 3.34Å; F108-T350 WeakPolarHBondContact CD1-OG1 3.44Å; I110-T350 HydrophobicContact CD1-CG2 4.36Å; G346-T350 WeakPolarHBondContact O-CB 3.49Å; G346-T350 PolarHBondContact O-N 2.95Å; G346-T350 PolarHBondContact O-OG1 2.92Å; G346-T350 VanDerWaalsContact O-OG1 3.06Å; R347-T350 PolarHBondContact O-N 3.18Å; T350-H352 VanDerWaalsContact C-N 3.31Å; T350-H352 PolarHBondContact O-N 3.21Å; T350-I353 PolarHBondContact O-N 2.85Å; T350-K354 HydrophobicContact CG2-CD 4.15Å; T350-K354 WeakPolarHBondContact O-CG 3.46Å; T350-K354 PolarHBondContact O-N 3.15Å
351T95.3Very high93.3Very high68 Ų6841.6 Ų41.642%0.41721%0.209SC..Hα-helixtrans-59.3-41.6178.8-60.20000111.7R347 Q348 I349 K354 Q355R347-T351 WeakPolarHBondContact O-CB 3.49Å; R347-T351 PolarHBondContact O-N 3.4Å; R347-T351 PolarHBondContact O-OG1 3.13Å; Q348-T351 PolarHBondContact O-N 3.22Å; I349-T351 PolarHBondContact O-N 3.33Å; T351-K354 PolarHBondContact O-N 3.32Å; T351-Q355 VanDerWaalsContact O-CG 3.3Å; T351-Q355 WeakPolarHBondContact O-CG 3.49Å; T351-Q355 PolarHBondContact O-N 3.43Å
352H95.7Very high92.8Very high38 Ų3837.5 Ų37.518%0.17619%0.192CC..Hα-helixtrans-73.7-33.7-179.4-72.272.4000112.5G296 L300 Q348 I349 T350 Q355 V356G296-H352 WeakPolarHBondContact O-CB 3.43Å; L300-H352 HydrophobicContact CB-CB 4.23Å; L300-H352 VanDerWaalsContact CD1-CE1 3.42Å; L300-H352 WeakPolarHBondContact CD1-CE1 3.36Å; Q348-H352 PolarHBondContact O-N 2.9Å; Q348-H352 PolarHBondContact O-ND1 3.01Å; I349-H352 PolarHBondContact O-N 3.12Å; T350-H352 VanDerWaalsContact C-N 3.31Å; T350-H352 PolarHBondContact O-N 3.21Å; H352-Q355 PolarHBondContact O-N 3.45Å; H352-V356 WeakPolarHBondContact O-CG1 3.32Å
353I96.2Very high92.3Very high0 Ų036 Ų360%018%0.182CC..Hα-helixtrans-64.4-44.1172.2-59.1161.8000110.1P93 L95 I110 A292 F293 I349 T350 Q355 V356P93-I353 HydrophobicContact CB-CD1 4.24Å; L95-I353 HydrophobicContact CD1-CD1 4.38Å; I110-I353 HydrophobicContact CD1-CB 3.71Å; I110-I353 HydrophobicContact CD1-CD1 4.16Å; I110-I353 HydrophobicContact CD1-CG2 3.53Å; A292-I353 HydrophobicContact CB-CG2 4.31Å; F293-I353 HydrophobicContact CD2-CD1 3.75Å; F293-I353 HydrophobicContact CE2-CD1 4.4Å; I349-I353 HydrophobicContact CG2-CD1 3.67Å; I349-I353 HydrophobicContact CG2-CG1 4.3Å; I349-I353 VanDerWaalsContact O-CG1 3.28Å; I349-I353 WeakPolarHBondContact O-CG1 3.25Å; I349-I353 PolarHBondContact O-N 3.44Å; T350-I353 PolarHBondContact O-N 2.85Å; I353-Q355 PolarHBondContact O-N 2.89Å; I353-V356 WeakPolarHBondContact O-CG2 3.36Å; I353-V356 PolarHBondContact O-N 3.03Å
354K95.4Very high91.9Very high37 Ų3740.3 Ų40.316%0.16121%0.205CC..Hα-helixtrans-59.9-20.1176.9-71.4179.3174.4-1730113.4E107 I110 T350 T351 A369 S370E107-K354 PolarHBondContact O-NZ 3.48Å; I110-K354 HydrophobicContact CD1-CG 4.34Å; I110-K354 HydrophobicContact CG1-CG 4.22Å; T350-K354 HydrophobicContact CG2-CD 4.15Å; T350-K354 WeakPolarHBondContact O-CG 3.46Å; T350-K354 PolarHBondContact O-N 3.15Å; T351-K354 PolarHBondContact O-N 3.32Å; K354-A369 PolarHBondContact NZ-O 2.72Å; K354-S370 PolarHBondContact NZ-O 3.14Å
355Q94.6Very high91.9Very high100 Ų10037 Ų3747%0.46719%0.19SC..THydrogen-bonded Turntrans-98.66.6179-64.3173.22.600114.3K299 T351 H352 I353K299-Q355 PolarHBondContact NZ-O 3Å; T351-Q355 VanDerWaalsContact O-CG 3.3Å; T351-Q355 WeakPolarHBondContact O-CG 3.49Å; T351-Q355 PolarHBondContact O-N 3.43Å; H352-Q355 PolarHBondContact O-N 3.45Å; I353-Q355 PolarHBondContact O-N 2.89Å
356V95.2Very high91.8Very high10 Ų1037.3 Ų37.36%0.06119%0.194CC..  trans-81.2142.5175.6-53.10000110.4A292 K295 H352 I353 F358 F367A292-V356 HydrophobicContact CB-CG2 4.29Å; K295-V356 HydrophobicContact CB-CB 4.43Å; K295-V356 HydrophobicContact CB-CG1 3.97Å; H352-V356 WeakPolarHBondContact O-CG1 3.32Å; I353-V356 WeakPolarHBondContact O-CG2 3.36Å; I353-V356 PolarHBondContact O-N 3.03Å; V356-F358 HydrophobicContact CB-CD1 4.44Å; V356-F358 HydrophobicContact CG2-CD1 4.03Å; V356-F358 HydrophobicContact CG2-CE1 3.88Å; V356-F367 HydrophobicContact CG2-CD2 4.29Å; V356-F367 HydrophobicContact CG2-CE2 3.8Å
357A94Very high91.8Very high77 Ų7738.1 Ų38.164%0.63620%0.197SC*.  trans-134.6125169.800000108.4V365A357-V365 VanDerWaalsContact CA-O 3.31Å; A357-V365 WeakPolarHBondContact CA-O 3.35Å
358F91.2Very high91.6Very high10 Ų1035.9 Ų35.94%0.04419%0.193CC..EExtended strand (participates in β ladder)trans-158.9159.2178.265.4-84.7000113.5D288 L291 A292 K295 V356 V365D288-F358 HydrophobicContact CB-CE2 4.43Å; D288-F358 HydrophobicContact CB-CZ 4.43Å; L291-F358 HydrophobicContact CB-CE2 4.17Å; L291-F358 HydrophobicContact CB-CZ 4.14Å; L291-F358 HydrophobicContact CD2-CD2 3.86Å; L291-F358 HydrophobicContact CD2-CE2 3.54Å; L291-F358 HydrophobicContact CD2-CZ 4.3Å; L291-F358 HydrophobicContact CG-CD2 4.32Å; L291-F358 HydrophobicContact CG-CE2 3.84Å; L291-F358 HydrophobicContact CG-CZ 4.1Å; A292-F358 HydrophobicContact CB-CE1 3.85Å; A292-F358 HydrophobicContact CB-CZ 4.03Å; K295-F358 HydrophobicContact CD-CB 4.03Å; K295-F358 HydrophobicContact CD-CD1 3.68Å; K295-F358 HydrophobicContact CD-CD2 4.47Å; K295-F358 HydrophobicContact CD-CE1 4.26Å; K295-F358 HydrophobicContact CD-CG 3.8Å; V356-F358 HydrophobicContact CB-CD1 4.44Å; V356-F358 HydrophobicContact CG2-CD1 4.03Å; V356-F358 HydrophobicContact CG2-CE1 3.88Å; F358-V365 HydrophobicContact CD1-CB 4.17Å; F358-V365 HydrophobicContact CD1-CG1 4.43Å; F358-V365 HydrophobicContact CD2-CB 4.39Å; F358-V365 HydrophobicContact CD2-CG2 4.46Å; F358-V365 HydrophobicContact CE1-CB 3.8Å; F358-V365 HydrophobicContact CE1-CG1 3.7Å; F358-V365 HydrophobicContact CE1-CG2 4.45Å; F358-V365 HydrophobicContact CE2-CB 4.03Å; F358-V365 HydrophobicContact CE2-CG2 3.86Å; F358-V365 HydrophobicContact CG-CB 4.45Å; F358-V365 HydrophobicContact CZ-CB 3.73Å; F358-V365 HydrophobicContact CZ-CG1 3.77Å; F358-V365 HydrophobicContact CZ-CG2 3.86Å; F358-V365 PolarHBondContact N-O 2.95Å; F358-V365 PolarHBondContact O-N 2.99Å
359E87Confident91.4Very high101 Ų10136.8 Ų36.847%0.47221%0.214SC..EExtended strand (participates in β ladder)trans-84.9114.5169.5-163.7-177.4156.300109.7L259L259-E359 HydrophobicContact CD2-CG 4.37Å
360G86.5Confident91.1Very high2 Ų239 Ų392%0.02123%0.229CC..EExtended strand (participates in β ladder)trans-109.8-173.9177.700000112.3D288 S362 G363D288-G360 WeakPolarHBondContact OD1-CA 3.46Å; G360-S362 VanDerWaalsContact C-N 3.26Å; G360-S362 PolarHBondContact O-N 3.17Å; G360-G363 PolarHBondContact N-O 3.3Å; G360-G363 PolarHBondContact O-N 3.08Å
361L86.1Confident90.8Very high1 Ų138.7 Ų38.71%0.00523%0.227CC..THydrogen-bonded Turntrans-69.2-25.6176.1-72.8178.8000112.6Y262 A263 F266 F279 A284 H287 D288 G363Y262-L361 HydrophobicContact CD1-CD2 3.78Å; Y262-L361 HydrophobicContact CD1-CG 4.33Å; Y262-L361 HydrophobicContact CE1-CD1 4.16Å; Y262-L361 HydrophobicContact CE1-CD2 4.06Å; Y262-L361 HydrophobicContact CE1-CG 4.1Å; A263-L361 HydrophobicContact CB-CD2 3.84Å; F266-L361 HydrophobicContact CD1-CD1 3.18Å; F266-L361 HydrophobicContact CE1-CD1 3.35Å; F266-L361 HydrophobicContact CG-CD1 3.97Å; F266-L361 HydrophobicContact CZ-CD1 4.24Å; F279-L361 VanDerWaalsContact CD1-O 3.22Å; F279-L361 WeakPolarHBondContact CD1-O 3.3Å; F279-L361 HydrophobicContact CE1-CD2 4.23Å; A284-L361 HydrophobicContact CB-CB 3.72Å; H287-L361 HydrophobicContact CB-CD1 4.16Å; D288-L361 PolarHBondContact OD1-N 2.93Å; D288-L361 PolarHBondContact OD2-N 2.92Å; L361-G363 VanDerWaalsContact C-N 3.27Å
362S83.8Confident90.6Very high4 Ų438.6 Ų38.63%0.02822%0.219CC..THydrogen-bonded Turntrans-90.815.5174.862.20000112.6D288 G360 R373D288-S362 WeakPolarHBondContact OD2-CB 3.5Å; D288-S362 PolarHBondContact OD2-N 3.44Å; D288-S362 PolarHBondContact OD2-OG 2.9Å; G360-S362 VanDerWaalsContact C-N 3.26Å; G360-S362 PolarHBondContact O-N 3.17Å; S362-R373 PolarHBondContact O-NH2 3.06Å; S362-R373 PolarHBondContact OG-NH1 3.02Å; S362-R373 PolarHBondContact OG-NH2 3.2Å; S362-R373 VanDerWaalsContact OG-NH2 3.14Å
363G82.3Confident90.3Very high4 Ų437.3 Ų37.34%0.04121%0.213CC..EExtended strand (participates in β ladder)trans94.5-151.6-177.500000113G360 L361 V365G360-G363 PolarHBondContact N-O 3.3Å; G360-G363 PolarHBondContact O-N 3.08Å; L361-G363 VanDerWaalsContact C-N 3.27Å; G363-V365 PolarHBondContact O-N 3.02Å
364L86.3Confident90Very high94 Ų9440.7 Ų40.749%0.49223%0.23SC..EExtended strand (participates in β ladder)trans-70125.6178.5-174.965.6000110R373L364-R373 PolarHBondContact O-NE 3.21Å; L364-R373 PolarHBondContact O-NH2 3.28Å
365V91Very high89.5Confident0 Ų039.6 Ų39.60%023%0.227CC..EExtended strand (participates in β ladder)trans-108.3112.9176.2-177.70000108.1M112 D288 A357 F358 G363 F367M112-V365 HydrophobicContact CE-CG1 3.98Å; D288-V365 HydrophobicContact CB-CG2 4.11Å; A357-V365 VanDerWaalsContact CA-O 3.31Å; A357-V365 WeakPolarHBondContact CA-O 3.35Å; F358-V365 HydrophobicContact CD1-CB 4.17Å; F358-V365 HydrophobicContact CD1-CG1 4.43Å; F358-V365 HydrophobicContact CD2-CB 4.39Å; F358-V365 HydrophobicContact CD2-CG2 4.46Å; F358-V365 HydrophobicContact CE1-CB 3.8Å; F358-V365 HydrophobicContact CE1-CG1 3.7Å; F358-V365 HydrophobicContact CE1-CG2 4.45Å; F358-V365 HydrophobicContact CE2-CB 4.03Å; F358-V365 HydrophobicContact CE2-CG2 3.86Å; F358-V365 HydrophobicContact CG-CB 4.45Å; F358-V365 HydrophobicContact CZ-CB 3.73Å; F358-V365 HydrophobicContact CZ-CG1 3.77Å; F358-V365 HydrophobicContact CZ-CG2 3.86Å; F358-V365 PolarHBondContact N-O 2.95Å; F358-V365 PolarHBondContact O-N 2.99Å; G363-V365 PolarHBondContact O-N 3.02Å; V365-F367 HydrophobicContact CG1-CE1 4.44Å; V365-F367 HydrophobicContact CG1-CE2 3.91Å; V365-F367 HydrophobicContact CG1-CZ 3.64Å
366S93.3Very high88.9Confident21 Ų2138 Ų3815%0.14722%0.224CC..  trans-149.1155.4172.759.50000109.3R373 L374S366-R373 WeakPolarHBondContact O-CA 3.48Å; S366-L374 PolarHBondContact O-N 3.49Å
367F93.4Very high88.4Confident17 Ų1738.7 Ų38.78%0.07523%0.227CC..BIsolated β-bridgetrans-124.6148.5-173.4-53.7-79.5000112.1I110 M112 A292 V356 V365 R372 R373I110-F367 HydrophobicContact CG2-CD1 3.76Å; I110-F367 HydrophobicContact CG2-CE1 3.43Å; I110-F367 VanDerWaalsContact CG2-CE1 3.43Å; I110-F367 HydrophobicContact CG2-CE2 4.43Å; I110-F367 HydrophobicContact CG2-CG 4.4Å; I110-F367 HydrophobicContact CG2-CZ 3.81Å; M112-F367 HydrophobicContact CE-CE1 4.46Å; M112-F367 HydrophobicContact CE-CZ 3.99Å; M112-F367 HydrophobicContact SD-CE1 3.82Å; M112-F367 HydrophobicContact SD-CZ 3.57Å; M112-F367 VanDerWaalsContact SD-CZ 3.57Å; A292-F367 HydrophobicContact CB-CE2 4.4Å; A292-F367 HydrophobicContact CB-CZ 4.34Å; V356-F367 HydrophobicContact CG2-CD2 4.29Å; V356-F367 HydrophobicContact CG2-CE2 3.8Å; V365-F367 HydrophobicContact CG1-CE1 4.44Å; V365-F367 HydrophobicContact CG1-CE2 3.91Å; V365-F367 HydrophobicContact CG1-CZ 3.64Å; F367-R372 CarbonylContact C-O 3.58Å; F367-R372 VanDerWaalsContact CA-O 3.28Å; F367-R372 WeakPolarHBondContact CA-O 3.42Å; F367-R373 HydrophobicContact CD1-CB 4.24Å; F367-R373 HydrophobicContact CE1-CB 4.26Å
368E89.8Confident88.1Confident84 Ų8435 Ų3539%0.39320%0.196SC..  trans-68.1165161.4-68.1177.6-176.200110.9S370 G371 R372 L374E368-S370 WeakPolarHBondContact CB-OG 3.3Å; E368-S370 PolarHBondContact O-N 3.28Å; E368-S370 VanDerWaalsContact O-N 3.15Å; E368-S370 PolarHBondContact OE2-OG 3.03Å; E368-G371 PolarHBondContact O-N 3.08Å; E368-R372 PolarHBondContact N-O 2.81Å; E368-L374 HydrophobicContact CG-CD2 3.39Å; E368-L374 HydrophobicContact CG-CG 3.86Å
369A90.5Very high87.9Confident99 Ų9936.8 Ų36.882%0.81821%0.205SC*.THydrogen-bonded Turntrans-57-28.9170.100000112.8K354 G371K354-A369 PolarHBondContact NZ-O 2.72Å; A369-G371 PolarHBondContact O-N 3.2Å
370S88.8Confident88.1Confident46 Ų4632.2 Ų32.232%0.32218%0.184SC..THydrogen-bonded Turntrans-63.1-27.6174.2670000112.6K354 E368 R372K354-S370 PolarHBondContact NZ-O 3.14Å; E368-S370 WeakPolarHBondContact CB-OG 3.3Å; E368-S370 PolarHBondContact O-N 3.28Å; E368-S370 VanDerWaalsContact O-N 3.15Å; E368-S370 PolarHBondContact OE2-OG 3.03Å; S370-R372 WeakPolarHBondContact OG-CB 3.22Å; S370-R372 PolarHBondContact OG-N 3Å
371G90.7Very high88.3Confident0 Ų032.1 Ų32.10%018%0.183CC..SBendtrans97.9-1.1-168.900000114L105 I110 S111 E368 A369L105-G371 VanDerWaalsContact CD1-C 3.42Å; I110-G371 WeakPolarHBondContact CA-O 3.36Å; S111-G371 PolarHBondContact N-O 3.08Å; E368-G371 PolarHBondContact O-N 3.08Å; A369-G371 PolarHBondContact O-N 3.2Å
372R90.1Very high88.5Confident66 Ų6632.8 Ų32.825%0.24919%0.186CC..BIsolated β-bridgetrans-73.5139.3172.9-70.9-177.7167.6-169-9.6110.3V102 D103 L105 F367 E368 S370 L374V102-R372 PolarHBondContact O-NH2 3.26Å; D103-R372 VanDerWaalsContact O-CZ 3.24Å; D103-R372 PolarHBondContact O-NH2 3.19Å; L105-R372 HydrophobicContact CD1-CB 4.21Å; L105-R372 HydrophobicContact CD1-CG 3.35Å; L105-R372 HydrophobicContact CG-CG 3.86Å; F367-R372 CarbonylContact C-O 3.58Å; F367-R372 VanDerWaalsContact CA-O 3.28Å; F367-R372 WeakPolarHBondContact CA-O 3.42Å; E368-R372 PolarHBondContact N-O 2.81Å; S370-R372 WeakPolarHBondContact OG-CB 3.22Å; S370-R372 PolarHBondContact OG-N 3Å; R372-L374 PolarHBondContact O-N 3.46Å
373R90.4Very high88.8Confident11 Ų1132.6 Ų32.64%0.04219%0.185CC..BIsolated β-bridgetrans-67.5130.4172.1-177.5172.1-180-178-5.4110.3S111 M112 T114 E251 Y285 S362 L364 S366 F367S111-R373 VanDerWaalsContact O-CB 3.3Å; S111-R373 WeakPolarHBondContact O-CB 3.37Å; S111-R373 PolarHBondContact O-N 3.41Å; M112-R373 WeakPolarHBondContact O-CD 3.43Å; M112-R373 PolarHBondContact O-NH1 3.48Å; T114-R373 WeakPolarHBondContact OG1-CD 3.47Å; E251-R373 IonicContact OE1-NH2 3.69Å; Y285-R373 VanDerWaalsContact CE1-NH1 3.3Å; S362-R373 PolarHBondContact O-NH2 3.06Å; S362-R373 PolarHBondContact OG-NH1 3.02Å; S362-R373 PolarHBondContact OG-NH2 3.2Å; S362-R373 VanDerWaalsContact OG-NH2 3.14Å; L364-R373 PolarHBondContact O-NE 3.21Å; L364-R373 PolarHBondContact O-NH2 3.28Å; S366-R373 WeakPolarHBondContact O-CA 3.48Å; F367-R373 HydrophobicContact CD1-CB 4.24Å; F367-R373 HydrophobicContact CE1-CB 4.26Å
374L88.8Confident89.1Confident70 Ų7035.6 Ų35.637%0.36620%0.198SC..PPolyproline II helixtrans-72.3132.5177.8-76.1165.2000110.7S366 E368 R372S366-L374 PolarHBondContact O-N 3.49Å; E368-L374 HydrophobicContact CG-CD2 3.39Å; E368-L374 HydrophobicContact CG-CG 3.86Å; R372-L374 PolarHBondContact O-N 3.46Å
375L85.3Confident89Confident15 Ų1532.4 Ų32.48%0.07918%0.179CC..  trans-98.3110.2168.6-169.656.3000109.7T114 V119 V378 W399 E401T114-L375 HydrophobicContact CG2-CB 3.34Å; T114-L375 HydrophobicContact CG2-CD1 3.33Å; T114-L375 HydrophobicContact CG2-CD2 4.04Å; T114-L375 HydrophobicContact CG2-CG 3.69Å; V119-L375 HydrophobicContact CG2-CD2 3.68Å; L375-V378 HydrophobicContact CD1-CG1 3.26Å; L375-V378 HydrophobicContact CD2-CG1 3.99Å; L375-V378 HydrophobicContact CG-CG1 4Å; L375-W399 HydrophobicContact CD2-CE3 4.26Å; L375-W399 HydrophobicContact CD2-CH2 4.17Å; L375-W399 HydrophobicContact CD2-CZ3 3.61Å; L375-W399 HydrophobicContact CG-CZ3 3.88Å; L375-E401 WeakPolarHBondContact O-CB 3.46Å
376T83Confident88.5Confident67 Ų6734.5 Ų34.541%0.41119%0.194SC..  trans-86.1-50.5178.853.60000111.9E401T376-E401 PolarHBondContact O-N 2.87Å; T376-E401 VanDerWaalsContact O-N 3.11Å
377D84.6Confident87.6Confident23 Ų2338.8 Ų38.812%0.12321%0.21CC..EExtended strand (participates in β ladder)trans-157.5148-176.868.5-71.1000112.1N252 Q398 W399 K400N252-D377 PolarHBondContact ND2-OD2 3.07Å; D377-Q398 PolarHBondContact OD2-NE2 3.31Å; D377-W399 CarbonylContact C-O 3.57Å; D377-W399 WeakPolarHBondContact CA-O 3.46Å; D377-K400 HydrophobicContact CB-CG 3.99Å
378V87.7Confident86.8Confident0 Ų049.3 Ų49.30%025%0.249CC..EExtended strand (participates in β ladder)trans-139.4157.1175-61.20000110.9V119 V249 L375 Q398 W399V119-V378 HydrophobicContact CB-CG2 4.43Å; V119-V378 HydrophobicContact CG1-CG2 3.84Å; V119-V378 HydrophobicContact CG2-CG2 3.67Å; V249-V378 HydrophobicContact CG1-CB 3.89Å; V249-V378 HydrophobicContact CG1-CG1 4.32Å; V249-V378 HydrophobicContact CG1-CG2 3.71Å; L375-V378 HydrophobicContact CD1-CG1 3.26Å; L375-V378 HydrophobicContact CD2-CG1 3.99Å; L375-V378 HydrophobicContact CG-CG1 4Å; V378-Q398 WeakPolarHBondContact O-CA 3.41Å; V378-W399 HydrophobicContact CG2-CB 3.84Å; V378-W399 HydrophobicContact CG2-CD2 4.5Å; V378-W399 HydrophobicContact CG2-CE3 4.08Å; V378-W399 HydrophobicContact CG2-CG 4.46Å; V378-W399 PolarHBondContact N-O 2.85Å; V378-W399 PolarHBondContact O-N 3.48Å
379Q87.1Confident86Confident48 Ų4849.2 Ų49.222%0.22425%0.254CS..EExtended strand (participates in β ladder)trans-89.4137.4167.9-79.8176.111.600110.9V249 H250 N252 S397V249-Q379 WeakPolarHBondContact CA-O 3.4Å; H250-Q379 HydrophobicContact CB-CB 4.31Å; H250-Q379 PolarHBondContact N-O 3.03Å; H250-Q379 PolarHBondContact O-N 2.88Å; N252-Q379 WeakPolarHBondContact OD1-CG 3.22Å; N252-Q379 PolarHBondContact OD1-NE2 3.42Å; Q379-S397 WeakPolarHBondContact CA-O 3.29Å
380V90.6Very high85Confident5 Ų546.6 Ų46.63%0.0323%0.226CC..EExtended strand (participates in β ladder)trans-108.1115.3168.8-178.90000107.2V119 I123 T247 S397 W399 L405V119-V380 HydrophobicContact CG1-CG2 4.01Å; I123-V380 HydrophobicContact CD1-CG1 3.99Å; I123-V380 HydrophobicContact CD1-CG2 4.31Å; I123-V380 HydrophobicContact CG1-CG1 4.43Å; T247-V380 HydrophobicContact CG2-CG1 3.66Å; V380-S397 PolarHBondContact N-O 3.48Å; V380-S397 PolarHBondContact O-N 3.28Å; V380-W399 HydrophobicContact CG2-CB 4.4Å; V380-L405 HydrophobicContact CB-CD1 4.11Å; V380-L405 HydrophobicContact CG2-CD1 3.66Å
381L90.6Very high84.3Confident0 Ų045.1 Ų45.10%022%0.215CC..EExtended strand (participates in β ladder)trans-101.5125.4179.7-57.7178.2000108.8E233 M236 T247 A248 H250 F394 K396E233-L381 HydrophobicContact CB-CD1 4.18Å; E233-L381 HydrophobicContact CG-CD1 4.47Å; M236-L381 HydrophobicContact CB-CB 4.48Å; M236-L381 HydrophobicContact CB-CD1 4.23Å; M236-L381 HydrophobicContact CE-CB 4.36Å; M236-L381 HydrophobicContact CG-CB 4.22Å; M236-L381 HydrophobicContact CG-CD1 3.99Å; T247-L381 CarbonylContact C-O 3.59Å; T247-L381 WeakPolarHBondContact CA-O 2.96Å; A248-L381 PolarHBondContact N-O 3.14Å; A248-L381 PolarHBondContact O-N 3.21Å; H250-L381 HydrophobicContact CB-CD1 4.05Å; H250-L381 HydrophobicContact CB-CG 4.4Å; L381-F394 HydrophobicContact CD2-CZ 4.33Å; L381-K396 HydrophobicContact CD2-CB 4.25Å; L381-K396 HydrophobicContact CD2-CD 4.2Å; L381-K396 HydrophobicContact CD2-CG 3.8Å
382E91.2Very high83.8Confident14 Ų1445.2 Ų45.27%0.06522%0.216CC..EExtended strand (participates in β ladder)trans-129.4127.9-176.4176157.1-136.200111.6K127 H223 I246 T247 Q384 F394 T395K127-E382 WeakPolarHBondContact CE-OE1 3.39Å; K127-E382 IonicContact NZ-OE1 2.73Å; K127-E382 PolarHBondContact NZ-OE1 3.08Å; K127-E382 IonicContact NZ-OE2 3.18Å; K127-E382 PolarHBondContact NZ-OE2 2.88Å; H223-E382 IonicContact CE1-OE1 3.19Å; H223-E382 PolarHBondContact CE1-OE1 3.3Å; H223-E382 IonicContact NE2-OE1 2.77Å; I246-E382 CarbonylContact O-C 3.47Å; I246-E382 WeakPolarHBondContact O-CA 3.49Å; T247-E382 PolarHBondContact OG1-OE1 3.37Å; E382-Q384 HydrophobicContact CG-CG 3.71Å; E382-Q384 WeakPolarHBondContact OE1-CG 3.39Å; E382-Q384 PolarHBondContact OE1-NE2 3.49Å; E382-Q384 PolarHBondContact OE2-NE2 3.29Å; E382-F394 CarbonylContact O-C 3.58Å; E382-F394 WeakPolarHBondContact O-CA 3.47Å; E382-T395 PolarHBondContact N-O 2.95Å; E382-T395 PolarHBondContact O-N 2.96Å
383V89.6Confident83.4Confident0 Ų042.9 Ų42.90%021%0.21CC..EExtended strand (participates in β ladder)trans-109.5119.2168.7179.40000106.6M236 F239 N245 I246 T392 S393 F394M236-V383 HydrophobicContact CE-CG2 4.07Å; F239-V383 HydrophobicContact CB-CB 4.37Å; F239-V383 HydrophobicContact CB-CG1 3.96Å; F239-V383 HydrophobicContact CB-CG2 3.95Å; N245-V383 CarbonylContact C-O 3.55Å; N245-V383 VanDerWaalsContact CA-O 3.27Å; N245-V383 WeakPolarHBondContact CA-O 3.46Å; I246-V383 PolarHBondContact N-O 2.95Å; I246-V383 PolarHBondContact O-N 3.13Å; V383-T392 HydrophobicContact CG1-CG2 3.59Å; V383-S393 WeakPolarHBondContact CA-O 3.18Å; V383-F394 HydrophobicContact CG2-CD2 3.7Å; V383-F394 HydrophobicContact CG2-CE2 4.06Å
384Q88Confident83.3Confident68 Ų6842.7 Ų42.732%0.31821%0.209SC..EExtended strand (participates in β ladder)trans-126.7121.9177.3-81.1-178.5-2.500111E382 T392 S393E382-Q384 HydrophobicContact CG-CG 3.71Å; E382-Q384 WeakPolarHBondContact OE1-CG 3.39Å; E382-Q384 PolarHBondContact OE1-NE2 3.49Å; E382-Q384 PolarHBondContact OE2-NE2 3.29Å; Q384-T392 CarbonylContact O-C 3.45Å; Q384-T392 VanDerWaalsContact O-CA 3.27Å; Q384-T392 WeakPolarHBondContact O-CA 3.21Å; Q384-S393 WeakPolarHBondContact CB-OG 3.33Å; Q384-S393 PolarHBondContact N-O 3.01Å; Q384-S393 PolarHBondContact O-N 3.42Å; Q384-S393 PolarHBondContact O-OG 2.62Å
385Y84Confident83.2Confident27 Ų2739.6 Ų39.611%0.10619%0.193CC..EExtended strand (participates in β ladder)trans-93.8122.6168.2177.5-111.1000110.9V219 T243 N245 K387 L390V219-Y385 HydrophobicContact CG2-CE1 4.49Å; T243-Y385 HydrophobicContact CG2-CD1 4.3Å; T243-Y385 HydrophobicContact CG2-CE1 4.06Å; T243-Y385 HydrophobicContact CG2-CE2 4.31Å; N245-Y385 WeakPolarHBondContact OD1-CA 3.35Å; N245-Y385 WeakPolarHBondContact OD1-CB 3.48Å; N245-Y385 PolarHBondContact OD1-N 3.11Å; N245-Y385 PolarHBondContact OD1-O 2.86Å; Y385-K387 HydrophobicContact CD1-CG 4.42Å; Y385-K387 HydrophobicContact CE1-CG 3.97Å; Y385-L390 WeakPolarHBondContact OH-CD2 3.43Å
386S81.1Confident83.3Confident43 Ų4341.4 Ų41.430%0.30120%0.2SC..  trans-97.2115.8173.5169.90000110.3R388 T389 L390 V391S386-R388 PolarHBondContact O-N 3.02Å; S386-R388 PolarHBondContact OG-N 3Å; S386-T389 WeakPolarHBondContact CB-OG1 3.25Å; S386-T389 PolarHBondContact O-N 3.21Å; S386-T389 PolarHBondContact OG-N 3.41Å; S386-T389 PolarHBondContact OG-OG1 3.42Å; S386-L390 WeakPolarHBondContact O-CA 3.38Å; S386-L390 PolarHBondContact O-N 2.63Å; S386-V391 PolarHBondContact N-O 3.05Å
387K75.1Confident83.5Confident111 Ų11138.5 Ų38.548%0.48318%0.183SC..THydrogen-bonded Turntrans-63-25.1173.1-64.6-172.8-176.7-171.50113.2N221 Y385 L390N221-K387 PolarHBondContact OD1-NZ 3.17Å; Y385-K387 HydrophobicContact CD1-CG 4.42Å; Y385-K387 HydrophobicContact CE1-CG 3.97Å; K387-L390 WeakPolarHBondContact O-CD2 3.42Å
388R75.8Confident83.7Confident239 Ų23938.3 Ų38.390%0.90218%0.181SC*.THydrogen-bonded Turntrans-77.8-41.4-178.3-72.1-174.9177.6179.7-1.2112.2S386S386-R388 PolarHBondContact O-N 3.02Å; S386-R388 PolarHBondContact OG-N 3Å
389T72.7Confident83.8Confident82 Ų8238.7 Ų38.750%0.50318%0.183SC..THydrogen-bonded Turntrans-102.7-6.1-17658.10000112.5S386 V391S386-T389 WeakPolarHBondContact CB-OG1 3.25Å; S386-T389 PolarHBondContact O-N 3.21Å; S386-T389 PolarHBondContact OG-N 3.41Å; S386-T389 PolarHBondContact OG-OG1 3.42Å; T389-V391 VanDerWaalsContact O-CG2 3.24Å; T389-V391 WeakPolarHBondContact O-CG2 3.2Å; T389-V391 PolarHBondContact O-N 3.42Å
390L70.7Confident83.9Confident43 Ų4340 Ų4023%0.22519%0.188CC..  trans51.224.7-171.8-54.1-174.6000113.7Y385 S386 K387 R416 H418Y385-L390 WeakPolarHBondContact OH-CD2 3.43Å; S386-L390 WeakPolarHBondContact O-CA 3.38Å; S386-L390 PolarHBondContact O-N 2.63Å; K387-L390 WeakPolarHBondContact O-CD2 3.42Å; L390-R416 PolarHBondContact O-N 2.69Å; L390-H418 WeakPolarHBondContact CD1-CE1 3.41Å; L390-H418 WeakPolarHBondContact CD1-ND1 3.46Å; L390-H418 VanDerWaalsContact CD1-NE2 3.35Å; L390-H418 WeakPolarHBondContact CD1-NE2 3.49Å
391V72.9Confident83.6Confident15 Ų1545.2 Ų45.29%0.09121%0.212CC..EExtended strand (participates in β ladder)trans-99137.6179.1-178.70000109.4S386 T389 N413 F414 K415S386-V391 PolarHBondContact N-O 3.05Å; T389-V391 VanDerWaalsContact O-CG2 3.24Å; T389-V391 WeakPolarHBondContact O-CG2 3.2Å; T389-V391 PolarHBondContact O-N 3.42Å; V391-N413 HydrophobicContact CG1-CB 3.77Å; V391-F414 WeakPolarHBondContact CA-O 3.16Å; V391-K415 HydrophobicContact CG2-CB 4.41Å; V391-K415 HydrophobicContact CG2-CG 3.67Å
392T80.3Confident83.3Confident2 Ų248.9 Ų48.91%0.01225%0.25CC..EExtended strand (participates in β ladder)trans-98.1116.2162.7-50.50000107.8K240 G242 V383 Q384 F414K240-T392 WeakPolarHBondContact O-CB 3.48Å; K240-T392 WeakPolarHBondContact O-CG2 3.45Å; G242-T392 PolarHBondContact O-OG1 3.25Å; V383-T392 HydrophobicContact CG1-CG2 3.59Å; Q384-T392 CarbonylContact O-C 3.45Å; Q384-T392 VanDerWaalsContact O-CA 3.27Å; Q384-T392 WeakPolarHBondContact O-CA 3.21Å; T392-F414 PolarHBondContact N-O 2.94Å; T392-F414 WeakPolarHBondContact O-CA 3.48Å; T392-F414 WeakPolarHBondContact O-CB 3.28Å; T392-F414 WeakPolarHBondContact O-CD2 3.4Å; T392-F414 PolarHBondContact O-N 3.08Å
393S82.8Confident83Confident18 Ų1853.7 Ų53.713%0.12628%0.275CS..EExtended strand (participates in β ladder)trans-92141.617159.70000110V383 Q384 V412 N413V383-S393 WeakPolarHBondContact CA-O 3.18Å; Q384-S393 WeakPolarHBondContact CB-OG 3.33Å; Q384-S393 PolarHBondContact N-O 3.01Å; Q384-S393 PolarHBondContact O-N 3.42Å; Q384-S393 PolarHBondContact O-OG 2.62Å; S393-V412 CarbonylContact C-O 3.58Å; S393-V412 WeakPolarHBondContact CA-O 3.45Å; S393-N413 VanDerWaalsContact CB-OD1 3.23Å; S393-N413 WeakPolarHBondContact CB-OD1 3.37Å
394F86.7Confident82.8Confident6 Ų654.7 Ų54.73%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-114.7111.2167.9-174.4-94.6000108.3M236 E237 K240 L381 E382 V383 K396 T411 V412 F414M236-F394 HydrophobicContact CB-CE2 3.94Å; M236-F394 HydrophobicContact CB-CZ 4.42Å; E237-F394 HydrophobicContact CG-CZ 4.4Å; K240-F394 HydrophobicContact CG-CB 4.3Å; K240-F394 HydrophobicContact CG-CD2 4.2Å; K240-F394 HydrophobicContact CG-CG 4.41Å; L381-F394 HydrophobicContact CD2-CZ 4.33Å; E382-F394 CarbonylContact O-C 3.58Å; E382-F394 WeakPolarHBondContact O-CA 3.47Å; V383-F394 HydrophobicContact CG2-CD2 3.7Å; V383-F394 HydrophobicContact CG2-CE2 4.06Å; F394-K396 HydrophobicContact CD1-CG 4.29Å; F394-K396 HydrophobicContact CE1-CD 4.25Å; F394-K396 HydrophobicContact CE1-CG 3.69Å; F394-T411 CarbonylContact O-C 3.57Å; F394-T411 WeakPolarHBondContact O-CA 3.34Å; F394-V412 PolarHBondContact N-O 3.21Å; F394-V412 PolarHBondContact O-N 3.45Å; F394-F414 HydrophobicContact CB-CE2 3.84Å
395T86.6Confident82.7Confident5 Ų553 Ų533%0.03128%0.278CS..EExtended strand (participates in β ladder)trans-113.2129-175.2-620000109.4E382 D408 S410 T411E382-T395 PolarHBondContact N-O 2.95Å; E382-T395 PolarHBondContact O-N 2.96Å; T395-D408 HydrophobicContact CG2-CB 3.78Å; T395-D408 VanDerWaalsContact CG2-CG 3.43Å; T395-D408 WeakPolarHBondContact CG2-OD1 3.17Å; T395-S410 CarbonylContact C-O 3.58Å; T395-S410 WeakPolarHBondContact CA-O 3.21Å; T395-T411 WeakPolarHBondContact CG2-OG1 3.34Å; T395-T411 WeakPolarHBondContact OG1-CG2 3.28Å; T395-T411 PolarHBondContact OG1-OG1 3.46Å
396K87.6Confident82.6Confident53 Ų5354.2 Ų54.223%0.2329%0.286CS..EExtended strand (participates in β ladder)trans-107.8124167-49.3-174.8-179.4-177.50109E233 L381 F394 Q409 S410E233-K396 WeakPolarHBondContact OE1-CE 3.45Å; E233-K396 IonicContact OE1-NZ 3.86Å; E233-K396 PolarHBondContact OE1-NZ 3.23Å; E233-K396 IonicContact OE2-NZ 2.75Å; E233-K396 PolarHBondContact OE2-NZ 3.16Å; L381-K396 HydrophobicContact CD2-CB 4.25Å; L381-K396 HydrophobicContact CD2-CD 4.2Å; L381-K396 HydrophobicContact CD2-CG 3.8Å; F394-K396 HydrophobicContact CD1-CG 4.29Å; F394-K396 HydrophobicContact CE1-CD 4.25Å; F394-K396 HydrophobicContact CE1-CG 3.69Å; K396-Q409 PolarHBondContact O-N 2.88Å; K396-S410 WeakPolarHBondContact CB-OG 3.43Å; K396-S410 PolarHBondContact N-O 3.34Å; K396-S410 PolarHBondContact O-N 3.43Å
397S88.5Confident82Confident7 Ų756.8 Ų56.85%0.04930%0.3CS..EExtended strand (participates in β ladder)trans-123.7157.6177.8-59.90000109.3Q379 V380 L406 D408Q379-S397 WeakPolarHBondContact CA-O 3.29Å; V380-S397 PolarHBondContact N-O 3.48Å; V380-S397 PolarHBondContact O-N 3.28Å; S397-L406 WeakPolarHBondContact CB-O 3.47Å; S397-D408 WeakPolarHBondContact OG-CA 3.44Å; S397-D408 PolarHBondContact OG-N 3.26Å; S397-D408 PolarHBondContact OG-OD1 3.44Å
398Q87.6Confident81.3Confident19 Ų1955.9 Ų55.99%0.08930%0.3CS..EExtended strand (participates in β ladder)trans-115.6134.3178.8-170.3176.619.300108.9D377 V378 K400 L406D377-Q398 PolarHBondContact OD2-NE2 3.31Å; V378-Q398 WeakPolarHBondContact O-CA 3.41Å; Q398-K400 HydrophobicContact CG-CG 4.32Å; Q398-L406 HydrophobicContact CB-CD1 4.39Å; Q398-L406 WeakPolarHBondContact O-CA 3.49Å; Q398-L406 VanDerWaalsContact O-CB 3.23Å; Q398-L406 WeakPolarHBondContact O-CB 3.16Å; Q398-L406 PolarHBondContact O-N 3.46Å
399W90.2Very high80.7Confident8 Ų850.3 Ų50.33%0.0328%0.284CS..EExtended strand (participates in β ladder)trans-106.4136.1168.8-179.699000108.5S118 V119 L375 D377 V378 V380 E401 G404 L405S118-W399 VanDerWaalsContact OG-CH2 3.23Å; S118-W399 WeakPolarHBondContact OG-CH2 3.49Å; S118-W399 VanDerWaalsContact OG-CZ2 3.28Å; S118-W399 WeakPolarHBondContact OG-CZ2 3.38Å; V119-W399 HydrophobicContact CB-CD2 4.37Å; V119-W399 HydrophobicContact CB-CG 4.43Å; V119-W399 HydrophobicContact CG1-CB 4.18Å; V119-W399 HydrophobicContact CG1-CD2 4.48Å; V119-W399 HydrophobicContact CG1-CG 4.08Å; V119-W399 HydrophobicContact CG2-CD2 3.7Å; V119-W399 HydrophobicContact CG2-CE3 3.73Å; V119-W399 HydrophobicContact CG2-CG 4.17Å; V119-W399 HydrophobicContact CG2-CH2 4.27Å; V119-W399 HydrophobicContact CG2-CZ2 4.3Å; V119-W399 HydrophobicContact CG2-CZ3 4.02Å; L375-W399 HydrophobicContact CD2-CE3 4.26Å; L375-W399 HydrophobicContact CD2-CH2 4.17Å; L375-W399 HydrophobicContact CD2-CZ3 3.61Å; L375-W399 HydrophobicContact CG-CZ3 3.88Å; D377-W399 CarbonylContact C-O 3.57Å; D377-W399 WeakPolarHBondContact CA-O 3.46Å; V378-W399 HydrophobicContact CG2-CB 3.84Å; V378-W399 HydrophobicContact CG2-CD2 4.5Å; V378-W399 HydrophobicContact CG2-CE3 4.08Å; V378-W399 HydrophobicContact CG2-CG 4.46Å; V378-W399 PolarHBondContact N-O 2.85Å; V378-W399 PolarHBondContact O-N 3.48Å; V380-W399 HydrophobicContact CG2-CB 4.4Å; W399-E401 HydrophobicContact CH2-CB 4.18Å; W399-E401 WeakPolarHBondContact CH2-OE2 3.37Å; W399-E401 HydrophobicContact CZ3-CB 4.26Å; W399-G404 WeakPolarHBondContact CA-O 3.32Å; W399-G404 VanDerWaalsContact CD1-C 3.47Å; W399-L405 HydrophobicContact CB-CD1 4.03Å
400K88.5Confident80.4Confident76 Ų7648.9 Ų48.933%0.3328%0.278SS..EExtended strand (participates in β ladder)trans-128140.4176.1-68.6-169.2176.6-174.50110.2D377 Q398 I403 G404 L406D377-K400 HydrophobicContact CB-CG 3.99Å; Q398-K400 HydrophobicContact CG-CG 4.32Å; K400-I403 HydrophobicContact CB-CB 4.23Å; K400-I403 HydrophobicContact CB-CD1 4.08Å; K400-I403 HydrophobicContact CB-CG1 4.49Å; K400-I403 HydrophobicContact CD-CD1 4.07Å; K400-I403 PolarHBondContact O-N 2.82Å; K400-G404 PolarHBondContact N-O 3.49Å; K400-G404 VanDerWaalsContact N-O 3.12Å; K400-G404 PolarHBondContact O-N 3.42Å; K400-L406 HydrophobicContact CD-CD1 4.16Å; K400-L406 HydrophobicContact CG-CD1 4.27Å
401E84.6Confident80.5Confident113 Ų11349.7 Ų49.753%0.52829%0.285SS..THydrogen-bonded Turntrans-57.9140175.1-173.155.3-107.800110.8L375 T376 W399 I403L375-E401 WeakPolarHBondContact O-CB 3.46Å; T376-E401 PolarHBondContact O-N 2.87Å; T376-E401 VanDerWaalsContact O-N 3.11Å; W399-E401 HydrophobicContact CH2-CB 4.18Å; W399-E401 WeakPolarHBondContact CH2-OE2 3.37Å; W399-E401 HydrophobicContact CZ3-CB 4.26Å; E401-I403 PolarHBondContact O-N 3.19Å
402G83.9Confident80.4Confident78 Ų7852.4 Ų52.480%0.80430%0.301SS*.THydrogen-bonded Turntrans69.8-14.3-175.200000117
403I85.9Confident79.8Confident115 Ų11557.4 Ų57.459%0.5933%0.328SS*.THydrogen-bonded Turntrans-107.6-36.2178.4-56.9169.2000111.4K400 E401 L406K400-I403 HydrophobicContact CB-CB 4.23Å; K400-I403 HydrophobicContact CB-CD1 4.08Å; K400-I403 HydrophobicContact CB-CG1 4.49Å; K400-I403 HydrophobicContact CD-CD1 4.07Å; K400-I403 PolarHBondContact O-N 2.82Å; E401-I403 PolarHBondContact O-N 3.19Å; I403-L406 HydrophobicContact CG2-CD2 3.62Å; I403-L406 HydrophobicContact CG2-CG 4.48Å
404G85.3Confident78.7Confident20 Ų2059.2 Ų59.221%0.20633%0.333CS..EExtended strand (participates in β ladder)trans88.4-156.6-174.500000113.2W399 K400 L406W399-G404 WeakPolarHBondContact CA-O 3.32Å; W399-G404 VanDerWaalsContact CD1-C 3.47Å; K400-G404 PolarHBondContact N-O 3.49Å; K400-G404 VanDerWaalsContact N-O 3.12Å; K400-G404 PolarHBondContact O-N 3.42Å; G404-L406 PolarHBondContact O-N 2.92Å
405L85.5Confident76.9Confident34 Ų3465.2 Ų65.218%0.17836%0.36CS..EExtended strand (participates in β ladder)trans-80.9109.5-174.4-171.163.2000111.3I123 K126 V380 W399I123-L405 HydrophobicContact CG1-CD2 4.18Å; K126-L405 HydrophobicContact CB-CD2 4.21Å; K126-L405 HydrophobicContact CG-CD2 4.19Å; V380-L405 HydrophobicContact CB-CD1 4.11Å; V380-L405 HydrophobicContact CG2-CD1 3.66Å; W399-L405 HydrophobicContact CB-CD1 4.03Å
406L82.6Confident75.1Confident52 Ų5269.2 Ų69.227%0.27237%0.374SS..EExtended strand (participates in β ladder)trans-74132.7173.8-58.7174000109.8S397 Q398 K400 I403 G404S397-L406 WeakPolarHBondContact CB-O 3.47Å; Q398-L406 HydrophobicContact CB-CD1 4.39Å; Q398-L406 WeakPolarHBondContact O-CA 3.49Å; Q398-L406 VanDerWaalsContact O-CB 3.23Å; Q398-L406 WeakPolarHBondContact O-CB 3.16Å; Q398-L406 PolarHBondContact O-N 3.46Å; K400-L406 HydrophobicContact CD-CD1 4.16Å; K400-L406 HydrophobicContact CG-CD1 4.27Å; I403-L406 HydrophobicContact CG2-CD2 3.62Å; I403-L406 HydrophobicContact CG2-CG 4.48Å; G404-L406 PolarHBondContact O-N 2.92Å
407T67.2Low72.8Confident96 Ų9667.5 Ų67.559%0.58937%0.37SS*.EExtended strand (participates in β ladder)trans-68.6129.6-175.140.10000112.8Q409T407-Q409 PolarHBondContact O-N 3.22Å; T407-Q409 VanDerWaalsContact O-N 3.09Å
408D62.2Low70.5Confident93 Ų9370.5 Ų70.550%0.49738%0.383SS..EExtended strand (participates in β ladder)trans21.465.6161.1-53.4-2.1000116.2T395 S397 S410T395-D408 HydrophobicContact CG2-CB 3.78Å; T395-D408 VanDerWaalsContact CG2-CG 3.43Å; T395-D408 WeakPolarHBondContact CG2-OD1 3.17Å; S397-D408 WeakPolarHBondContact OG-CA 3.44Å; S397-D408 PolarHBondContact OG-N 3.26Å; S397-D408 PolarHBondContact OG-OD1 3.44Å; D408-S410 PolarHBondContact O-N 3.2Å
409Q62.4Low68.4Low121 Ų12176.7 Ų76.757%0.56541%0.412SS*.EExtended strand (participates in β ladder)trans-58.7-30.5179-70.7-175.7-11.300112.3K396 T407K396-Q409 PolarHBondContact O-N 2.88Å; T407-Q409 PolarHBondContact O-N 3.22Å; T407-Q409 VanDerWaalsContact O-N 3.09Å
410S67.1Low65.9Low52 Ų5283.3 Ų83.336%0.36445%0.448SS..EExtended strand (participates in β ladder)trans-146.4129.5170.358.70000110.7T395 K396 D408T395-S410 CarbonylContact C-O 3.58Å; T395-S410 WeakPolarHBondContact CA-O 3.21Å; K396-S410 WeakPolarHBondContact CB-OG 3.43Å; K396-S410 PolarHBondContact N-O 3.34Å; K396-S410 PolarHBondContact O-N 3.43Å; D408-S410 PolarHBondContact O-N 3.2Å
411T71.1Confident63.6Low60 Ų6083.7 Ų83.737%0.36845%0.454SS..EExtended strand (participates in β ladder)trans-128.1124.6172.2-65.50000109.2F394 T395F394-T411 CarbonylContact O-C 3.57Å; F394-T411 WeakPolarHBondContact O-CA 3.34Å; T395-T411 WeakPolarHBondContact CG2-OG1 3.34Å; T395-T411 WeakPolarHBondContact OG1-CG2 3.28Å; T395-T411 PolarHBondContact OG1-OG1 3.46Å
412V70.6Confident61.3Low73 Ų7383.3 Ų83.344%0.44246%0.463SS..EExtended strand (participates in β ladder)trans-111.7121.5175.1-174.40000108.5S393 F394 F414S393-V412 CarbonylContact C-O 3.58Å; S393-V412 WeakPolarHBondContact CA-O 3.45Å; F394-V412 PolarHBondContact N-O 3.21Å; F394-V412 PolarHBondContact O-N 3.45Å; V412-F414 HydrophobicContact CB-CE2 3.96Å; V412-F414 HydrophobicContact CB-CZ 4.11Å; V412-F414 HydrophobicContact CG1-CD2 4.45Å; V412-F414 HydrophobicContact CG1-CE1 4.05Å; V412-F414 HydrophobicContact CG1-CE2 3.69Å; V412-F414 HydrophobicContact CG1-CZ 3.45Å; V412-F414 VanDerWaalsContact CG1-CZ 3.45Å
413N68.1Low59.2Low106 Ų10681.3 Ų81.357%0.56743%0.434SS*.EExtended strand (participates in β ladder)trans-97.6120-179.1-72.3-30.1000110.6V391 S393V391-N413 HydrophobicContact CG1-CB 3.77Å; S393-N413 VanDerWaalsContact CB-OD1 3.23Å; S393-N413 WeakPolarHBondContact CB-OD1 3.37Å
414F60.1Low57.2Low56 Ų5680.7 Ų80.725%0.24644%0.437CS..EExtended strand (participates in β ladder)trans-101.198174.4-58.1-84.7000108.7K240 V391 T392 F394 V412K240-F414 HydrophobicContact CB-CD2 4.06Å; K240-F414 HydrophobicContact CB-CE2 4.01Å; K240-F414 HydrophobicContact CB-CG 4.45Å; K240-F414 HydrophobicContact CB-CZ 4.34Å; K240-F414 HydrophobicContact CD-CE1 4.29Å; K240-F414 HydrophobicContact CD-CE2 3.72Å; K240-F414 HydrophobicContact CD-CZ 3.55Å; K240-F414 HydrophobicContact CG-CD2 4.15Å; K240-F414 HydrophobicContact CG-CE2 3.64Å; K240-F414 HydrophobicContact CG-CZ 4.01Å; V391-F414 WeakPolarHBondContact CA-O 3.16Å; T392-F414 PolarHBondContact N-O 2.94Å; T392-F414 WeakPolarHBondContact O-CA 3.48Å; T392-F414 WeakPolarHBondContact O-CB 3.28Å; T392-F414 WeakPolarHBondContact O-CD2 3.4Å; T392-F414 PolarHBondContact O-N 3.08Å; F394-F414 HydrophobicContact CB-CE2 3.84Å; V412-F414 HydrophobicContact CB-CE2 3.96Å; V412-F414 HydrophobicContact CB-CZ 4.11Å; V412-F414 HydrophobicContact CG1-CD2 4.45Å; V412-F414 HydrophobicContact CG1-CE1 4.05Å; V412-F414 HydrophobicContact CG1-CE2 3.69Å; V412-F414 HydrophobicContact CG1-CZ 3.45Å; V412-F414 VanDerWaalsContact CG1-CZ 3.45Å
415K49.5Very low55.1Low132 Ų13285.9 Ų85.957%0.57447%0.471SS*.EExtended strand (participates in β ladder)trans-69.8128.6172.5-73.8-172.6171.9-171.40109.1V391V391-K415 HydrophobicContact CG2-CB 4.41Å; V391-K415 HydrophobicContact CG2-CG 3.67Å
416R47.8Very low53.5Low89 Ų8986.1 Ų86.134%0.33648%0.481SS..PPolyproline II helixtrans-82.9127.6157.6-73.7-177.7174.7180-0.5106.7V241 G242 L390 H418V241-R416 PolarHBondContact O-NH2 2.93Å; G242-R416 PolarHBondContact O-NH2 3.06Å; L390-R416 PolarHBondContact O-N 2.69Å; R416-H418 PolarHBondContact O-N 3.2Å
417A40.1Very low52.5Low17 Ų1789.9 Ų89.914%0.1450%0.502CS..PPolyproline II helixtrans-50.6116.8169.700000109.8E683A417-E683 HydrophobicContact CB-CB 3.55Å; A417-E683 HydrophobicContact CB-CG 3.64Å
418H40.7Very low52.6Low70 Ų7088.5 Ų88.532%0.32449%0.49SS..PPolyproline II helixtrans-59.4140.6162.9-103.6-86.3000108L390 R416 N420 D421L390-H418 WeakPolarHBondContact CD1-CE1 3.41Å; L390-H418 WeakPolarHBondContact CD1-ND1 3.46Å; L390-H418 VanDerWaalsContact CD1-NE2 3.35Å; L390-H418 WeakPolarHBondContact CD1-NE2 3.49Å; R416-H418 PolarHBondContact O-N 3.2Å; H418-N420 PolarHBondContact O-N 3.18Å; H418-N420 VanDerWaalsContact O-N 3.14Å; H418-D421 HydrophobicContact CB-CB 3.63Å; H418-D421 VanDerWaalsContact CB-CG 3.46Å; H418-D421 VanDerWaalsContact CB-N 3.25Å; H418-D421 IonicContact CD2-OD1 3.71Å; H418-D421 IonicContact CD2-OD2 2.95Å; H418-D421 PolarHBondContact O-N 2.87Å
419Q44Very low53.7Low150 Ų15087.6 Ų87.670%0.70149%0.487SS*.THydrogen-bonded Turntrans-61.4-14.9164.9-77.6175.9-29.600112.8
420N37.4Very low54.9Low146 Ų14684.6 Ų84.678%0.78147%0.471SS*.THydrogen-bonded Turntrans-120.410.9177.5-73.1-1.6000113.9H418 S422H418-N420 PolarHBondContact O-N 3.18Å; H418-N420 VanDerWaalsContact O-N 3.14Å; N420-S422 VanDerWaalsContact C-N 3.29Å; N420-S422 PolarHBondContact O-N 3.06Å
421D40.4Very low56.1Low85 Ų8583.8 Ų83.846%0.45546%0.462SS..  trans-73.798.8167.9-92.2-17000105.1H418 L423H418-D421 HydrophobicContact CB-CB 3.63Å; H418-D421 VanDerWaalsContact CB-CG 3.46Å; H418-D421 VanDerWaalsContact CB-N 3.25Å; H418-D421 IonicContact CD2-OD1 3.71Å; H418-D421 IonicContact CD2-OD2 2.95Å; H418-D421 PolarHBondContact O-N 2.87Å; D421-L423 PolarHBondContact O-N 3.28Å
422S35.8Very low57.3Low105 Ų10580.9 Ų80.973%0.73445%0.445SS*.  trans-43.7115.3162.247.50000107N420N420-S422 VanDerWaalsContact C-N 3.29Å; N420-S422 PolarHBondContact O-N 3.06Å
423L40.4Very low58.5Low35 Ų3577.5 Ų77.518%0.18342%0.424CS..  trans-42.8153.6170.6-83.184.9000108.7D421 S425 N473D421-L423 PolarHBondContact O-N 3.28Å; L423-S425 PolarHBondContact O-N 3.29Å; L423-N473 HydrophobicContact CD1-CB 4.05Å; L423-N473 HydrophobicContact CD2-CB 3.7Å; L423-N473 HydrophobicContact CG-CB 4.48Å
424P43.8Very low59.8Low102 Ų10272.5 Ų72.566%0.66240%0.397SS*.  trans-47.9116.7152.4-9.121.7000105.2G426P424-G426 PolarHBondContact O-N 2.84Å
425S41.2Very low61.4Low130 Ų13071.5 Ų71.591%0.90939%0.392SS*.SBendtrans-65.355.8-170.9-580000112.4L423L423-S425 PolarHBondContact O-N 3.29Å
426G51.2Low63.5Low38 Ų3869 Ų6939%0.39239%0.385SS..SBendtrans-130.4139.4178.200000108.7P424 I428P424-G426 PolarHBondContact O-N 2.84Å; G426-I428 VanDerWaalsContact C-N 3.29Å; G426-I428 PolarHBondContact O-N 3Å
427N61.3Low65.5Low132 Ų13266 Ų6671%0.70638%0.375SS*.  trans-6883.3173.3-77.2-15.6000109.8V429 L475N427-V429 PolarHBondContact O-N 3.43Å; N427-L475 HydrophobicContact CB-CD1 3.52Å
428I69.8Low67.9Low66 Ų6667 Ų6734%0.33838%0.383SS..  trans-79.8114.4174.4-56.3174.4000108.5G426G426-I428 VanDerWaalsContact C-N 3.29Å; G426-I428 PolarHBondContact O-N 3Å
429V84Confident70.4Confident74 Ų7463.7 Ų63.745%0.44837%0.368SS..EExtended strand (participates in β ladder)trans-78.2119.4172.8-177.90000108.9N427 L475 E477N427-V429 PolarHBondContact O-N 3.43Å; V429-L475 HydrophobicContact CG2-CB 4.3Å; V429-E477 HydrophobicContact CG1-CB 3.88Å
430R88.4Confident72.8Confident58 Ų5856.6 Ų56.622%0.21934%0.335CS..EExtended strand (participates in β ladder)trans-84.5128.2178-59.7-60.4-179.2-168.2-2.3111.2V432 F474 L475 Y476 E477 D508R430-V432 PolarHBondContact O-N 3.4Å; R430-F474 HydrophobicContact CB-CE2 4.41Å; R430-F474 HydrophobicContact CG-CD2 4.37Å; R430-F474 HydrophobicContact CG-CE2 4.15Å; R430-L475 WeakPolarHBondContact CB-O 3.39Å; R430-L475 PolarHBondContact N-O 2.96Å; R430-Y476 CarbonylContact O-C 3.56Å; R430-Y476 WeakPolarHBondContact O-CA 3.08Å; R430-E477 PolarHBondContact O-N 3.46Å; R430-D508 VanDerWaalsContact CA-OD2 3.26Å; R430-D508 WeakPolarHBondContact CA-OD2 3.13Å; R430-D508 HydrophobicContact CB-CB 4.37Å
431I92.6Very high75.5Confident35 Ų3549.8 Ų49.818%0.17930%0.298CS..EExtended strand (participates in β ladder)trans-82.8111.6176-61.3163.5000108.5R479 A507 D508 M509I431-R479 HydrophobicContact CG2-CB 4.36Å; I431-R479 HydrophobicContact CG2-CG 4.05Å; I431-A507 HydrophobicContact CG2-CB 4.22Å; I431-D508 PolarHBondContact N-OD2 3.46Å; I431-D508 PolarHBondContact O-N 2.89Å; I431-M509 PolarHBondContact O-N 2.82Å
432V96Very high78Confident0 Ų047.4 Ų47.40%029%0.285CS..EExtended strand (participates in β ladder)trans-100.7107.1176.5-1760000108.5R430 I464 F474 E477 I478 R479 M509 V511R430-V432 PolarHBondContact O-N 3.4Å; V432-I464 HydrophobicContact CG1-CD1 3.73Å; V432-I464 HydrophobicContact CG1-CG1 4.17Å; V432-F474 HydrophobicContact CG2-CZ 4.45Å; V432-E477 PolarHBondContact N-O 2.64Å; V432-I478 WeakPolarHBondContact O-CA 3.19Å; V432-R479 PolarHBondContact O-N 3.44Å; V432-M509 WeakPolarHBondContact CA-O 3.45Å; V432-M509 HydrophobicContact CB-CG 4.42Å; V432-M509 HydrophobicContact CG1-CG 4.35Å; V432-M509 HydrophobicContact CG2-CG 3.82Å; V432-M509 HydrophobicContact CG2-SD 4.2Å; V432-V511 HydrophobicContact CG1-CB 3.93Å; V432-V511 HydrophobicContact CG1-CG2 3.79Å
433N95.1Very high80.8Confident1 Ų147.6 Ų47.61%0.00527%0.27CS..EExtended strand (participates in β ladder)trans-84.4142.917571.3-12.3000111.9R479 L498 E501 A507 M509 T510 V511N433-R479 CarbonylContact C-O 3.46Å; N433-R479 VanDerWaalsContact CA-O 3.28Å; N433-R479 WeakPolarHBondContact CA-O 3.46Å; N433-L498 HydrophobicContact CB-CD2 3.8Å; N433-L498 PolarHBondContact ND2-O 3.03Å; N433-L498 VanDerWaalsContact ND2-O 3.16Å; N433-E501 WeakPolarHBondContact ND2-CB 3.46Å; N433-E501 PolarHBondContact ND2-OE2 3.34Å; N433-A507 HydrophobicContact CB-CB 3.68Å; N433-M509 PolarHBondContact N-O 2.8Å; N433-M509 PolarHBondContact OD1-O 3.21Å; N433-M509 VanDerWaalsContact OD1-O 3.08Å; N433-T510 WeakPolarHBondContact O-CA 3.35Å; N433-T510 WeakPolarHBondContact OD1-CA 3.41Å; N433-T510 WeakPolarHBondContact OD1-CB 3.24Å; N433-T510 WeakPolarHBondContact OD1-CG2 3.46Å; N433-T510 PolarHBondContact OD1-OG1 3.33Å; N433-V511 PolarHBondContact O-N 3.41Å
434T96.1Very high83.2Confident1 Ų148.8 Ų48.81%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-152.5178.5179.4-160.60000111V441 I478 R479 L480 A481 V511T434-V441 HydrophobicContact CG2-CB 4.47Å; T434-V441 HydrophobicContact CG2-CG1 4.09Å; T434-V441 HydrophobicContact CG2-CG2 3.96Å; T434-V441 WeakPolarHBondContact OG1-CG2 3.39Å; T434-I478 HydrophobicContact CG2-CG2 3.7Å; T434-R479 PolarHBondContact N-O 3.24Å; T434-L480 HydrophobicContact CG2-CD2 3.87Å; T434-L480 CarbonylContact O-C 3.57Å; T434-L480 VanDerWaalsContact O-CA 3.28Å; T434-L480 WeakPolarHBondContact O-CA 3.16Å; T434-A481 PolarHBondContact O-N 3.39Å; T434-V511 VanDerWaalsContact CB-O 3.3Å; T434-V511 WeakPolarHBondContact CB-O 3.36Å; T434-V511 PolarHBondContact OG1-O 2.93Å
435Y93.8Very high85.3Confident35 Ų3549.2 Ų49.214%0.13729%0.286CS..  trans-137.9156.5176.380.4-68.5000110.1N437 T486 L498 A512 S513Y435-N437 HydrophobicContact CD2-CB 4.24Å; Y435-N437 HydrophobicContact CE1-CB 4.26Å; Y435-N437 HydrophobicContact CE2-CB 3.59Å; Y435-N437 PolarHBondContact O-N 3.35Å; Y435-N437 PolarHBondContact OH-ND2 3.06Å; Y435-T486 HydrophobicContact CD1-CG2 4.37Å; Y435-T486 HydrophobicContact CE1-CG2 3.89Å; Y435-T486 HydrophobicContact CE2-CG2 4.2Å; Y435-L498 HydrophobicContact CD1-CD1 3.77Å; Y435-L498 HydrophobicContact CG-CD1 4.42Å; Y435-A512 HydrophobicContact CD1-CB 3.85Å; Y435-A512 HydrophobicContact CE1-CB 3.94Å; Y435-S513 PolarHBondContact OH-OG 3.43Å
436L92.5Very high87.6Confident80 Ų8046.2 Ų46.242%0.41926%0.26SS..  trans-71.5117.2179.6-65.7170.9000109.9V441 Y443 L480L436-V441 HydrophobicContact CD2-CG1 4.3Å; L436-Y443 HydrophobicContact CD1-CD2 4.1Å; L436-Y443 HydrophobicContact CD1-CE2 3.47Å; L436-Y443 VanDerWaalsContact CD1-CE2 3.47Å; L436-Y443 HydrophobicContact CD2-CD2 4.06Å; L436-Y443 HydrophobicContact CD2-CE2 3.94Å; L436-Y443 HydrophobicContact CG-CE2 4.34Å; L436-L480 HydrophobicContact CD1-CD1 4.12Å; L436-L480 HydrophobicContact CD2-CD1 4.24Å; L436-L480 HydrophobicContact CD2-CD2 4.14Å; L436-L480 HydrophobicContact CG-CD1 4.03Å; L436-L480 HydrophobicContact CG-CD2 4.13Å
437N90.7Very high89.2Confident27 Ų2745.2 Ų45.214%0.14425%0.248CC..BIsolated β-bridgetrans-156.4118.3175.2-178.318.2000108.8Y435 F440 V441 S513Y435-N437 HydrophobicContact CD2-CB 4.24Å; Y435-N437 HydrophobicContact CE1-CB 4.26Å; Y435-N437 HydrophobicContact CE2-CB 3.59Å; Y435-N437 PolarHBondContact O-N 3.35Å; Y435-N437 PolarHBondContact OH-ND2 3.06Å; N437-F440 WeakPolarHBondContact O-CA 3.27Å; N437-F440 WeakPolarHBondContact O-CB 3.43Å; N437-F440 PolarHBondContact O-N 2.97Å; N437-V441 CarbonylContact C-O 3.52Å; N437-V441 PolarHBondContact N-O 3.21Å; N437-V441 PolarHBondContact O-N 3.44Å; N437-S513 PolarHBondContact ND2-OG 3.08Å; N437-S513 VanDerWaalsContact ND2-OG 3.16Å
438A90.6Very high90.4Very high36 Ų3648.2 Ų48.230%0.29826%0.257SS..THydrogen-bonded Turntrans-78.6135.8-179.500000110.9M442 Y653A438-M442 HydrophobicContact CB-CG 3.85Å; A438-M442 HydrophobicContact CB-SD 3.57Å; A438-M442 VanDerWaalsContact CB-SD 3.57Å; A438-Y653 HydrophobicContact CB-CE1 3.92Å
439P92.4Very high91.2Very high1 Ų151.3 Ų51.31%0.00628%0.275CS..THydrogen-bonded Turncis-95.617.2236.3-33.9000114.7M442 G458 Y459 Y653 W708 W709P439-M442 HydrophobicContact CB-CE 4.33Å; P439-G458 CarbonylContact O-C 3.56Å; P439-G458 VanDerWaalsContact O-CA 3.23Å; P439-G458 WeakPolarHBondContact O-CA 3.36Å; P439-Y459 PolarHBondContact O-N 3.49Å; P439-Y653 HydrophobicContact CB-CD2 4.03Å; P439-Y653 HydrophobicContact CB-CE1 4.49Å; P439-Y653 HydrophobicContact CB-CE2 3.47Å; P439-Y653 VanDerWaalsContact CB-CE2 3.47Å; P439-Y653 HydrophobicContact CG-CD2 3.64Å; P439-Y653 HydrophobicContact CG-CE2 3.64Å; P439-Y653 HydrophobicContact CG-CG 4.1Å; P439-W708 HydrophobicContact CB-CB 4.37Å; P439-W708 HydrophobicContact CB-CE3 4.5Å; P439-W709 HydrophobicContact CG-CD2 4.03Å; P439-W709 HydrophobicContact CG-CE3 3.97Å; P439-W709 HydrophobicContact CG-CH2 3.52Å; P439-W709 HydrophobicContact CG-CZ2 3.56Å; P439-W709 HydrophobicContact CG-CZ3 3.72Å
440F94.6Very high91.4Very high2 Ų251.8 Ų51.81%0.00927%0.269CS..THydrogen-bonded Turntrans-71.5-52.6-176-63.6-84.5000112.9N437 G458 Y459 C460 M531 Y674 W709N437-F440 WeakPolarHBondContact O-CA 3.27Å; N437-F440 WeakPolarHBondContact O-CB 3.43Å; N437-F440 PolarHBondContact O-N 2.97Å; F440-G458 CarbonylContact O-C 3.5Å; F440-G458 VanDerWaalsContact O-C 3.24Å; F440-G458 VanDerWaalsContact O-CA 3.31Å; F440-G458 WeakPolarHBondContact O-CA 3.24Å; F440-Y459 HydrophobicContact CD1-CD1 4.17Å; F440-Y459 HydrophobicContact CE1-CD1 4.43Å; F440-Y459 PolarHBondContact O-N 2.93Å; F440-Y459 VanDerWaalsContact O-N 3.13Å; F440-C460 HydrophobicContact CB-CB 4.44Å; F440-C460 WeakPolarHBondContact O-CB 3.32Å; F440-C460 PolarHBondContact O-N 3.42Å; F440-M531 HydrophobicContact CE1-SD 4.26Å; F440-M531 HydrophobicContact CZ-SD 4.46Å; F440-Y674 HydrophobicContact CE1-CD2 4.13Å; F440-Y674 AromaticContact CE1-CE2 3.97Å; F440-Y674 HydrophobicContact CE1-CE2 3.97Å; F440-Y674 HydrophobicContact CZ-CD2 4.2Å; F440-Y674 AromaticContact CZ-CE2 3.56Å; F440-Y674 HydrophobicContact CZ-CE2 3.56Å; F440-W709 HydrophobicContact CD1-CH2 4.29Å; F440-W709 AromaticContact CE1-CH2 3.72Å; F440-W709 HydrophobicContact CE1-CH2 3.72Å; F440-W709 HydrophobicContact CE1-CZ2 4.35Å; F440-W709 HydrophobicContact CE2-CH2 4.13Å; F440-W709 HydrophobicContact CE2-CZ2 4.11Å; F440-W709 AromaticContact CZ-CH2 3.61Å; F440-W709 HydrophobicContact CZ-CH2 3.61Å; F440-W709 AromaticContact CZ-CZ2 3.78Å; F440-W709 HydrophobicContact CZ-CZ2 3.78Å
441V95Very high91.3Very high2 Ų258 Ų581%0.01230%0.298CS..BIsolated β-bridgetrans-143.2122.2175.8-174.70000108.9T434 L436 N437 F456 C460 V461T434-V441 HydrophobicContact CG2-CB 4.47Å; T434-V441 HydrophobicContact CG2-CG1 4.09Å; T434-V441 HydrophobicContact CG2-CG2 3.96Å; T434-V441 WeakPolarHBondContact OG1-CG2 3.39Å; L436-V441 HydrophobicContact CD2-CG1 4.3Å; N437-V441 CarbonylContact C-O 3.52Å; N437-V441 PolarHBondContact N-O 3.21Å; N437-V441 PolarHBondContact O-N 3.44Å; V441-F456 HydrophobicContact CG1-CB 4.36Å; V441-F456 HydrophobicContact CG1-CD1 4.09Å; V441-F456 HydrophobicContact CG1-CG 4.43Å; V441-C460 HydrophobicContact CG2-CB 3.73Å; V441-V461 HydrophobicContact CG1-CG2 4.2Å; V441-V461 HydrophobicContact CG2-CG2 4.28Å
442M93.8Very high91.1Very high35 Ų3558.3 Ų58.317%0.17231%0.309CS..EExtended strand (participates in β ladder)trans-134.7155.8179.6-60.5173.9-66.200108.3A438 P439 F456 E457 W708A438-M442 HydrophobicContact CB-CG 3.85Å; A438-M442 HydrophobicContact CB-SD 3.57Å; A438-M442 VanDerWaalsContact CB-SD 3.57Å; P439-M442 HydrophobicContact CB-CE 4.33Å; M442-F456 CarbonylContact O-C 3.59Å; M442-F456 WeakPolarHBondContact O-CA 3.41Å; M442-E457 HydrophobicContact CB-CG 4.47Å; M442-E457 HydrophobicContact CE-CG 4.45Å; M442-E457 PolarHBondContact N-O 2.94Å; M442-E457 PolarHBondContact O-N 3.05Å; M442-E457 VanDerWaalsContact O-O 3.13Å; M442-W708 HydrophobicContact CE-CE3 4.08Å; M442-W708 HydrophobicContact CE-CZ3 3.65Å
443Y93.1Very high90.9Very high110 Ų11060.2 Ų60.243%0.43132%0.319SS..EExtended strand (participates in β ladder)trans-71.1142.4162.3-71.9-70.7000109.4L436 A447 F456 L480L436-Y443 HydrophobicContact CD1-CD2 4.1Å; L436-Y443 HydrophobicContact CD1-CE2 3.47Å; L436-Y443 VanDerWaalsContact CD1-CE2 3.47Å; L436-Y443 HydrophobicContact CD2-CD2 4.06Å; L436-Y443 HydrophobicContact CD2-CE2 3.94Å; L436-Y443 HydrophobicContact CG-CE2 4.34Å; Y443-A447 HydrophobicContact CD1-CB 4.1Å; Y443-F456 HydrophobicContact CD1-CD1 4.03Å; Y443-F456 AromaticContact CD1-CE1 3.82Å; Y443-F456 HydrophobicContact CD1-CE1 3.82Å; Y443-F456 HydrophobicContact CE1-CD1 4.05Å; Y443-F456 AromaticContact CE1-CE1 3.36Å; Y443-F456 HydrophobicContact CE1-CE1 3.36Å; Y443-F456 HydrophobicContact CE1-CZ 4.05Å; Y443-F456 AromaticContact CZ-CE1 3.93Å; Y443-L480 VanDerWaalsContact OH-CD1 3.27Å; Y443-L480 WeakPolarHBondContact OH-CD1 3.47Å
444K92.1Very high90.7Very high59 Ų5965.7 Ų65.726%0.25735%0.345SS..  trans-62.6152.2164.1-69.2-175.3-177.9166.80109.9D446 A447 Y450 E454 R455 E457K444-D446 WeakPolarHBondContact CB-OD1 3.31Å; K444-D446 PolarHBondContact O-N 2.79Å; K444-A447 HydrophobicContact CB-CB 4.41Å; K444-A447 VanDerWaalsContact O-CB 3.24Å; K444-A447 WeakPolarHBondContact O-CB 3.44Å; K444-A447 PolarHBondContact O-N 3.45Å; K444-A447 VanDerWaalsContact O-N 3.08Å; K444-Y450 HydrophobicContact CD-CD2 4.45Å; K444-Y450 HydrophobicContact CD-CE2 4.45Å; K444-E454 VanDerWaalsContact CD-O 3.24Å; K444-E454 WeakPolarHBondContact CD-O 3.25Å; K444-E454 WeakPolarHBondContact CE-O 3.45Å; K444-E454 PolarHBondContact NZ-O 3.16Å; K444-R455 PolarHBondContact N-O 3.36Å; K444-E457 HydrophobicContact CG-CB 3.85Å; K444-E457 HydrophobicContact CG-CG 3.93Å
445A86.5Confident90.6Very high111 Ų11170.1 Ų70.192%0.91736%0.361SS*.THydrogen-bonded Turntrans-58-31.1177.600000112.9
446D90.1Very high90.6Very high68 Ų6868.7 Ų68.736%0.36436%0.356SS..THydrogen-bonded Turntrans-108.729.317959.2-13000112.5K444 E448 N449 Y450K444-D446 WeakPolarHBondContact CB-OD1 3.31Å; K444-D446 PolarHBondContact O-N 2.79Å; D446-E448 PolarHBondContact O-N 2.8Å; D446-N449 WeakPolarHBondContact O-CB 3.3Å; D446-N449 PolarHBondContact O-N 3.04Å; D446-Y450 WeakPolarHBondContact O-CD2 3.34Å; D446-Y450 WeakPolarHBondContact OD2-CE2 3.45Å
447A85.7Confident90.7Very high16 Ų1667.6 Ų67.613%0.13235%0.349CS..G310 helixtrans-55.4-24.9-176.500000114.3Y443 K444 N449 Y450 R455Y443-A447 HydrophobicContact CD1-CB 4.1Å; K444-A447 HydrophobicContact CB-CB 4.41Å; K444-A447 VanDerWaalsContact O-CB 3.24Å; K444-A447 WeakPolarHBondContact O-CB 3.44Å; K444-A447 PolarHBondContact O-N 3.45Å; K444-A447 VanDerWaalsContact O-N 3.08Å; A447-N449 PolarHBondContact O-N 2.95Å; A447-Y450 PolarHBondContact O-N 3.44Å; A447-R455 HydrophobicContact CB-CB 4.26Å
448E85.4Confident90.9Very high195 Ų19566.3 Ų66.391%0.91134%0.342SS*.G310 helixtrans-62.2-28.2175.6-63-175.5174.100113D446 Y450D446-E448 PolarHBondContact O-N 2.8Å; E448-Y450 VanDerWaalsContact C-N 3.31Å; E448-Y450 PolarHBondContact O-N 3.29Å
449N87.7Confident91.2Very high131 Ų13164.7 Ų64.770%0.70133%0.328SS*.G310 helixtrans-81.2-10.6-179.6-65.6-30.7000113.3D446 A447D446-N449 WeakPolarHBondContact O-CB 3.3Å; D446-N449 PolarHBondContact O-N 3.04Å; A447-N449 PolarHBondContact O-N 2.95Å
450Y87.5Confident91.4Very high85 Ų8564.7 Ų64.733%0.33333%0.328SS..  trans-114.2155.2-174.1-65.8-77.2000111.9K444 D446 A447 E448 E454 R455K444-Y450 HydrophobicContact CD-CD2 4.45Å; K444-Y450 HydrophobicContact CD-CE2 4.45Å; D446-Y450 WeakPolarHBondContact O-CD2 3.34Å; D446-Y450 WeakPolarHBondContact OD2-CE2 3.45Å; A447-Y450 PolarHBondContact O-N 3.44Å; E448-Y450 VanDerWaalsContact C-N 3.31Å; E448-Y450 PolarHBondContact O-N 3.29Å; Y450-E454 HydrophobicContact CD1-CB 3.92Å; Y450-E454 WeakPolarHBondContact CD1-OE2 3.42Å; Y450-E454 HydrophobicContact CG-CB 4.16Å; Y450-R455 VanDerWaalsContact O-CD 3.29Å; Y450-R455 WeakPolarHBondContact O-CD 3.23Å; Y450-R455 WeakPolarHBondContact O-CG 3.3Å
451K85.6Confident91.5Very high189 Ų18965.3 Ų65.382%0.82233%0.332SS*.  trans-121.2154174.4-70-174.1179.3179.20110.8
452G88.2Confident91.5Very high40 Ų4066.8 Ų66.841%0.41234%0.34SS..G310 helixtrans66.1-134.7178.400000113E454 R455G452-E454 VanDerWaalsContact C-N 3.31Å; G452-E454 PolarHBondContact O-N 2.61Å; G452-R455 PolarHBondContact O-NE 2.84Å; G452-R455 VanDerWaalsContact O-NE 3.11Å
453N92.3Very high91.6Very high40 Ų4065.1 Ų65.121%0.21433%0.332CS..G310 helixtrans-68-28.3-174.8-62-16.9000113R455 F456 Y476 E477 I478N453-R455 PolarHBondContact O-N 2.86Å; N453-R455 VanDerWaalsContact O-N 3.09Å; N453-F456 PolarHBondContact O-N 3.04Å; N453-Y476 HydrophobicContact CB-CE2 4.4Å; N453-Y476 WeakPolarHBondContact ND2-CD2 3.01Å; N453-Y476 VanDerWaalsContact ND2-CE2 3.28Å; N453-Y476 WeakPolarHBondContact ND2-CE2 3.5Å; N453-Y476 PolarHBondContact ND2-O 3.32Å; N453-E477 WeakPolarHBondContact OD1-CA 3.44Å; N453-I478 HydrophobicContact CB-CD1 4.28Å; N453-I478 HydrophobicContact CB-CG1 4.49Å; N453-I478 PolarHBondContact OD1-N 2.99Å
454E91.7Very high91.8Very high117 Ų11759.9 Ų59.955%0.54731%0.311SS..G310 helixtrans-68-11.5-174.1-65.9-173.3164.800114K444 Y450 G452 F456K444-E454 VanDerWaalsContact CD-O 3.24Å; K444-E454 WeakPolarHBondContact CD-O 3.25Å; K444-E454 WeakPolarHBondContact CE-O 3.45Å; K444-E454 PolarHBondContact NZ-O 3.16Å; Y450-E454 HydrophobicContact CD1-CB 3.92Å; Y450-E454 WeakPolarHBondContact CD1-OE2 3.42Å; Y450-E454 HydrophobicContact CG-CB 4.16Å; G452-E454 VanDerWaalsContact C-N 3.31Å; G452-E454 PolarHBondContact O-N 2.61Å; E454-F456 VanDerWaalsContact C-N 3.26Å; E454-F456 PolarHBondContact O-N 3.41Å
455R93Very high91.9Very high93 Ų9362.4 Ų62.435%0.35132%0.322SS..G310 helixtrans-71.9-20.3175.5-62.1-175.5-64.51600.9113.4K444 A447 Y450 G452 N453K444-R455 PolarHBondContact N-O 3.36Å; A447-R455 HydrophobicContact CB-CB 4.26Å; Y450-R455 VanDerWaalsContact O-CD 3.29Å; Y450-R455 WeakPolarHBondContact O-CD 3.23Å; Y450-R455 WeakPolarHBondContact O-CG 3.3Å; G452-R455 PolarHBondContact O-NE 2.84Å; G452-R455 VanDerWaalsContact O-NE 3.11Å; N453-R455 PolarHBondContact O-N 2.86Å; N453-R455 VanDerWaalsContact O-N 3.09Å
456F95Very high92.3Very high6 Ų658.4 Ų58.43%0.02629%0.285CS..EExtended strand (participates in β ladder)trans-103.4149.5-174.9-56.3-70.9000111.3V441 M442 Y443 N453 E454 V461 I478 L480V441-F456 HydrophobicContact CG1-CB 4.36Å; V441-F456 HydrophobicContact CG1-CD1 4.09Å; V441-F456 HydrophobicContact CG1-CG 4.43Å; M442-F456 CarbonylContact O-C 3.59Å; M442-F456 WeakPolarHBondContact O-CA 3.41Å; Y443-F456 HydrophobicContact CD1-CD1 4.03Å; Y443-F456 AromaticContact CD1-CE1 3.82Å; Y443-F456 HydrophobicContact CD1-CE1 3.82Å; Y443-F456 HydrophobicContact CE1-CD1 4.05Å; Y443-F456 AromaticContact CE1-CE1 3.36Å; Y443-F456 HydrophobicContact CE1-CE1 3.36Å; Y443-F456 HydrophobicContact CE1-CZ 4.05Å; Y443-F456 AromaticContact CZ-CE1 3.93Å; N453-F456 PolarHBondContact O-N 3.04Å; E454-F456 VanDerWaalsContact C-N 3.26Å; E454-F456 PolarHBondContact O-N 3.41Å; F456-V461 HydrophobicContact CB-CG2 3.84Å; F456-I478 HydrophobicContact CD2-CB 4.19Å; F456-I478 HydrophobicContact CD2-CD1 4.45Å; F456-I478 HydrophobicContact CD2-CG2 3.95Å; F456-I478 HydrophobicContact CE2-CB 4.3Å; F456-I478 HydrophobicContact CE2-CG2 4.03Å; F456-L480 HydrophobicContact CE1-CD1 3.9Å; F456-L480 HydrophobicContact CE1-CD2 4.03Å; F456-L480 HydrophobicContact CE1-CG 4.06Å; F456-L480 HydrophobicContact CZ-CD1 4.09Å; F456-L480 HydrophobicContact CZ-CD2 4.28Å; F456-L480 HydrophobicContact CZ-CG 3.99Å
457E94.8Very high92.5Very high57 Ų5755.2 Ų55.227%0.26627%0.268SS..EExtended strand (participates in β ladder)trans-140.6155.6167.871166.1163.100110.5M442 K444 W708 K712M442-E457 HydrophobicContact CB-CG 4.47Å; M442-E457 HydrophobicContact CE-CG 4.45Å; M442-E457 PolarHBondContact N-O 2.94Å; M442-E457 PolarHBondContact O-N 3.05Å; M442-E457 VanDerWaalsContact O-O 3.13Å; K444-E457 HydrophobicContact CG-CB 3.85Å; K444-E457 HydrophobicContact CG-CG 3.93Å; E457-W708 HydrophobicContact CB-CH2 3.95Å; E457-W708 HydrophobicContact CG-CH2 4.15Å; E457-K712 IonicContact OE2-NZ 2.88Å; E457-K712 PolarHBondContact OE2-NZ 3.17Å
458G94.2Very high92.9Very high0 Ų055.9 Ų55.90%027%0.271CS..SBendtrans146.7176.3176.900000112.8P439 F440 C460 V461 D462 W708P439-G458 CarbonylContact O-C 3.56Å; P439-G458 VanDerWaalsContact O-CA 3.23Å; P439-G458 WeakPolarHBondContact O-CA 3.36Å; F440-G458 CarbonylContact O-C 3.5Å; F440-G458 VanDerWaalsContact O-C 3.24Å; F440-G458 VanDerWaalsContact O-CA 3.31Å; F440-G458 WeakPolarHBondContact O-CA 3.24Å; G458-C460 PolarHBondContact O-N 3.24Å; G458-V461 PolarHBondContact O-N 3.25Å; G458-D462 PolarHBondContact O-N 3.45Å; G458-W708 VanDerWaalsContact C-CZ2 3.45Å; G458-W708 VanDerWaalsContact CA-CH2 3.4Å; G458-W708 VanDerWaalsContact CA-CZ2 3.43Å; G458-W708 VanDerWaalsContact N-CZ2 3.35Å
459Y95.9Very high93.2Very high2 Ų252.4 Ų52.41%0.00826%0.255CS..Hα-helixtrans-58.2-45.5-179.8-179.3-84.2000112.5P439 F440 V461 D462 L463 Y530 M531 L704 E705 W709P439-Y459 PolarHBondContact O-N 3.49Å; F440-Y459 HydrophobicContact CD1-CD1 4.17Å; F440-Y459 HydrophobicContact CE1-CD1 4.43Å; F440-Y459 PolarHBondContact O-N 2.93Å; F440-Y459 VanDerWaalsContact O-N 3.13Å; Y459-V461 VanDerWaalsContact C-N 3.33Å; Y459-D462 PolarHBondContact O-N 3.27Å; Y459-L463 HydrophobicContact CE1-CD2 4.3Å; Y459-L463 VanDerWaalsContact O-CB 3.31Å; Y459-L463 WeakPolarHBondContact O-CB 3.45Å; Y459-L463 PolarHBondContact O-N 2.87Å; Y459-Y530 HydrophobicContact CD1-CE2 4.35Å; Y459-Y530 AromaticContact CE1-CD2 3.77Å; Y459-Y530 HydrophobicContact CE1-CD2 3.77Å; Y459-Y530 AromaticContact CE1-CE2 3.61Å; Y459-Y530 HydrophobicContact CE1-CE2 3.61Å; Y459-M531 HydrophobicContact CD2-CE 4.4Å; Y459-M531 HydrophobicContact CE1-CE 4.32Å; Y459-M531 HydrophobicContact CE2-CE 3.79Å; Y459-L704 HydrophobicContact CD2-CB 3.91Å; Y459-L704 HydrophobicContact CE2-CB 3.58Å; Y459-E705 HydrophobicContact CE2-CB 4.39Å; Y459-W709 AromaticContact CD2-CZ3 3.72Å; Y459-W709 HydrophobicContact CD2-CZ3 3.72Å; Y459-W709 HydrophobicContact CE2-CZ3 4.47Å; Y459-W709 HydrophobicContact CG-CH2 4.45Å; Y459-W709 AromaticContact CG-CZ3 3.92Å; Y459-W709 HydrophobicContact CG-CZ3 3.92Å
460C96.6Very high93.3Very high0 Ų049.8 Ų49.80%024%0.238CC..Hα-helixtrans-69.7-32.4178.8-75.60000111.9F440 V441 G458 L463 I464 V511F440-C460 HydrophobicContact CB-CB 4.44Å; F440-C460 WeakPolarHBondContact O-CB 3.32Å; F440-C460 PolarHBondContact O-N 3.42Å; V441-C460 HydrophobicContact CG2-CB 3.73Å; G458-C460 PolarHBondContact O-N 3.24Å; C460-L463 PolarHBondContact O-N 2.71Å; C460-I464 WeakPolarHBondContact O-CD1 3.37Å; C460-I464 WeakPolarHBondContact O-CG1 3.48Å; C460-I464 PolarHBondContact O-N 3.23Å; C460-V511 HydrophobicContact CB-CG1 4.12Å
461V96.5Very high93.4Very high16 Ų1646 Ų4610%0.09722%0.223CC..Hα-helixtrans-66.2-46.7176.6-176.60000110.4V441 F456 G458 Y459 L463 I464 K465 I478V441-V461 HydrophobicContact CG1-CG2 4.2Å; V441-V461 HydrophobicContact CG2-CG2 4.28Å; F456-V461 HydrophobicContact CB-CG2 3.84Å; G458-V461 PolarHBondContact O-N 3.25Å; Y459-V461 VanDerWaalsContact C-N 3.33Å; V461-L463 VanDerWaalsContact C-N 3.32Å; V461-L463 PolarHBondContact O-N 2.7Å; V461-I464 PolarHBondContact O-N 3.34Å; V461-K465 PolarHBondContact O-N 2.92Å; V461-K465 VanDerWaalsContact O-N 3.07Å; V461-I478 HydrophobicContact CG1-CD1 4.22Å
462D96.1Very high93.2Very high33 Ų3342.5 Ų42.518%0.17621%0.214CC..Hα-helixtrans-63.6-38.3174.2-76.5-7.4000111.5G458 Y459 K465 L466 L704 K707 W708G458-D462 PolarHBondContact O-N 3.45Å; Y459-D462 PolarHBondContact O-N 3.27Å; D462-K465 WeakPolarHBondContact O-CB 3.19Å; D462-K465 PolarHBondContact O-N 2.83Å; D462-L466 WeakPolarHBondContact O-CG 3.46Å; D462-L466 PolarHBondContact O-N 3.47Å; D462-L704 HydrophobicContact CB-CD1 4.1Å; D462-L704 HydrophobicContact CB-CD2 3.71Å; D462-K707 IonicContact OD1-NZ 3.54Å; D462-K707 IonicContact OD2-NZ 2.61Å; D462-K707 PolarHBondContact OD2-NZ 3.09Å; D462-W708 WeakPolarHBondContact OD2-CZ2 3.39Å; D462-W708 PolarHBondContact OD2-NE1 3.37Å
463L96.6Very high92.8Very high0 Ų045.4 Ų45.40%022%0.22CC..Hα-helixtrans-62.8-45.2175.6178.762.1000111.9Y459 C460 V461 K465 L466 L467 V511 Y530 L695 L701Y459-L463 HydrophobicContact CE1-CD2 4.3Å; Y459-L463 VanDerWaalsContact O-CB 3.31Å; Y459-L463 WeakPolarHBondContact O-CB 3.45Å; Y459-L463 PolarHBondContact O-N 2.87Å; C460-L463 PolarHBondContact O-N 2.71Å; V461-L463 VanDerWaalsContact C-N 3.32Å; V461-L463 PolarHBondContact O-N 2.7Å; L463-K465 VanDerWaalsContact C-N 3.27Å; L463-K465 PolarHBondContact O-N 2.91Å; L463-L466 PolarHBondContact O-N 3.42Å; L463-L467 HydrophobicContact CD1-CG 4.36Å; L463-L467 HydrophobicContact CG-CD1 4.24Å; L463-L467 HydrophobicContact CG-CG 4.5Å; L463-L467 VanDerWaalsContact O-CG 3.3Å; L463-L467 WeakPolarHBondContact O-CG 3.3Å; L463-L467 PolarHBondContact O-N 3.39Å; L463-V511 HydrophobicContact CD2-CG1 4.08Å; L463-Y530 HydrophobicContact CD2-CD1 3.99Å; L463-Y530 HydrophobicContact CD2-CD2 3.95Å; L463-Y530 HydrophobicContact CD2-CE1 4.17Å; L463-Y530 HydrophobicContact CD2-CE2 4.15Å; L463-Y530 HydrophobicContact CD2-CG 3.87Å; L463-L695 HydrophobicContact CD1-CD1 4.3Å; L463-L701 HydrophobicContact CD1-CD2 3.77Å
464I96Very high92.5Very high0 Ų044.2 Ų44.20%021%0.212CC..Hα-helixtrans-60.6-41.1176.2-65.3158.4000110V432 C460 V461 L467 S468 F474 Y476 I478 V511V432-I464 HydrophobicContact CG1-CD1 3.73Å; V432-I464 HydrophobicContact CG1-CG1 4.17Å; C460-I464 WeakPolarHBondContact O-CD1 3.37Å; C460-I464 WeakPolarHBondContact O-CG1 3.48Å; C460-I464 PolarHBondContact O-N 3.23Å; V461-I464 PolarHBondContact O-N 3.34Å; I464-L467 PolarHBondContact O-N 3.44Å; I464-S468 WeakPolarHBondContact O-CB 3.37Å; I464-S468 PolarHBondContact O-N 3Å; I464-F474 HydrophobicContact CG2-CE1 4.47Å; I464-Y476 HydrophobicContact CB-CE2 4.46Å; I464-Y476 HydrophobicContact CG2-CD1 4.02Å; I464-Y476 HydrophobicContact CG2-CD2 3.43Å; I464-Y476 VanDerWaalsContact CG2-CD2 3.43Å; I464-Y476 HydrophobicContact CG2-CE1 4.01Å; I464-Y476 HydrophobicContact CG2-CE2 3.42Å; I464-Y476 VanDerWaalsContact CG2-CE2 3.42Å; I464-Y476 HydrophobicContact CG2-CG 3.74Å; I464-I478 HydrophobicContact CD1-CD1 4.16Å; I464-I478 HydrophobicContact CD1-CG1 4.25Å; I464-V511 HydrophobicContact CD1-CB 4.02Å; I464-V511 HydrophobicContact CD1-CG1 4.26Å; I464-V511 HydrophobicContact CG1-CB 3.81Å; I464-V511 HydrophobicContact CG1-CG1 3.81Å; I464-V511 HydrophobicContact CG1-CG2 3.93Å
465K95.3Very high92.4Very high112 Ų11242.2 Ų42.249%0.48721%0.205SC..Hα-helixtrans-60.2-48.5175.2-173.1-179.9176.6-178.10111.6V461 D462 L463 L467 S468 E469V461-K465 PolarHBondContact O-N 2.92Å; V461-K465 VanDerWaalsContact O-N 3.07Å; D462-K465 WeakPolarHBondContact O-CB 3.19Å; D462-K465 PolarHBondContact O-N 2.83Å; L463-K465 VanDerWaalsContact C-N 3.27Å; L463-K465 PolarHBondContact O-N 2.91Å; K465-L467 VanDerWaalsContact C-N 3.33Å; K465-L467 PolarHBondContact O-N 3.01Å; K465-S468 WeakPolarHBondContact O-CB 3.5Å; K465-S468 PolarHBondContact O-N 3.03Å; K465-S468 VanDerWaalsContact O-N 3.11Å; K465-S468 PolarHBondContact O-OG 3.41Å; K465-E469 WeakPolarHBondContact CE-OE1 3.22Å; K465-E469 WeakPolarHBondContact O-CG 3.42Å; K465-E469 PolarHBondContact O-N 3.38Å
466L94.9Very high92.4Very high27 Ų2740 Ų4014%0.14120%0.197CC..Hα-helixtrans-61.7-39.5175.8-71.2-179.5000112.6D462 L463 S468 E469 K470 L695 E700 L704D462-L466 WeakPolarHBondContact O-CG 3.46Å; D462-L466 PolarHBondContact O-N 3.47Å; L463-L466 PolarHBondContact O-N 3.42Å; L466-S468 VanDerWaalsContact C-N 3.3Å; L466-S468 PolarHBondContact O-N 3.04Å; L466-E469 PolarHBondContact O-N 2.77Å; L466-K470 VanDerWaalsContact O-CG 3.25Å; L466-K470 WeakPolarHBondContact O-CG 3.34Å; L466-K470 PolarHBondContact O-N 3.16Å; L466-L695 HydrophobicContact CB-CD1 3.97Å; L466-L695 HydrophobicContact CB-CD2 4.18Å; L466-L695 HydrophobicContact CD1-CD1 4.47Å; L466-L695 HydrophobicContact CD1-CD2 4.12Å; L466-E700 HydrophobicContact CD1-CB 4.43Å; L466-L704 HydrophobicContact CD1-CD1 3.45Å; L466-L704 VanDerWaalsContact CD1-CD1 3.45Å; L466-L704 HydrophobicContact CD1-CG 4.08Å; L466-L704 HydrophobicContact CG-CD1 4.48Å
467L94.5Very high92.3Very high1 Ų143.2 Ų43.21%0.00521%0.212CC..Hα-helixtrans-62.9-39.4174.6-70.3174.1000111.1L463 I464 K465 E469 K470 I471 M509 V676 I692 L695L463-L467 HydrophobicContact CD1-CG 4.36Å; L463-L467 HydrophobicContact CG-CD1 4.24Å; L463-L467 HydrophobicContact CG-CG 4.5Å; L463-L467 VanDerWaalsContact O-CG 3.3Å; L463-L467 WeakPolarHBondContact O-CG 3.3Å; L463-L467 PolarHBondContact O-N 3.39Å; I464-L467 PolarHBondContact O-N 3.44Å; K465-L467 VanDerWaalsContact C-N 3.33Å; K465-L467 PolarHBondContact O-N 3.01Å; L467-E469 VanDerWaalsContact C-N 3.32Å; L467-E469 PolarHBondContact O-N 3.01Å; L467-K470 PolarHBondContact O-N 3.4Å; L467-I471 HydrophobicContact CB-CD1 4.36Å; L467-I471 HydrophobicContact CD2-CD1 4.5Å; L467-I471 VanDerWaalsContact O-CB 3.3Å; L467-I471 WeakPolarHBondContact O-CB 3.23Å; L467-I471 VanDerWaalsContact O-CG1 3.25Å; L467-I471 WeakPolarHBondContact O-CG1 3.47Å; L467-I471 PolarHBondContact O-N 2.97Å; L467-M509 HydrophobicContact CD1-CE 4.5Å; L467-V676 HydrophobicContact CD1-CG2 4.48Å; L467-I692 HydrophobicContact CD2-CG1 4.25Å; L467-L695 HydrophobicContact CD2-CD1 4.32Å
468S92.7Very high92.3Very high29 Ų2940.8 Ų40.820%0.20320%0.201CC..Hα-helixtrans-65.9-32.5177.375.80000113.7I464 K465 L466 K470I464-S468 WeakPolarHBondContact O-CB 3.37Å; I464-S468 PolarHBondContact O-N 3Å; K465-S468 WeakPolarHBondContact O-CB 3.5Å; K465-S468 PolarHBondContact O-N 3.03Å; K465-S468 VanDerWaalsContact O-N 3.11Å; K465-S468 PolarHBondContact O-OG 3.41Å; L466-S468 VanDerWaalsContact C-N 3.3Å; L466-S468 PolarHBondContact O-N 3.04Å; S468-K470 VanDerWaalsContact C-N 3.33Å
469E92.3Very high92.3Very high123 Ų12345.7 Ų45.758%0.57522%0.22SC*.Hα-helixtrans-75.4-23.9176.3-69.5170.1-171.200112.4K465 L466 L467K465-E469 WeakPolarHBondContact CE-OE1 3.22Å; K465-E469 WeakPolarHBondContact O-CG 3.42Å; K465-E469 PolarHBondContact O-N 3.38Å; L466-E469 PolarHBondContact O-N 2.77Å; L467-E469 VanDerWaalsContact C-N 3.32Å; L467-E469 PolarHBondContact O-N 3.01Å
470K89.9Confident92.3Very high75 Ų7548 Ų4833%0.32623%0.232SC..Hα-helixtrans-95.9-24-178.4-67.5-70.5172.6-170.90114.3L466 L467 S468 A691 E694 L695L466-K470 VanDerWaalsContact O-CG 3.25Å; L466-K470 WeakPolarHBondContact O-CG 3.34Å; L466-K470 PolarHBondContact O-N 3.16Å; L467-K470 PolarHBondContact O-N 3.4Å; S468-K470 VanDerWaalsContact C-N 3.33Å; K470-A691 HydrophobicContact CB-CB 3.43Å; K470-A691 VanDerWaalsContact CB-CB 3.43Å; K470-A691 HydrophobicContact CG-CB 3.99Å; K470-E694 IonicContact NZ-OE1 3.41Å; K470-E694 PolarHBondContact NZ-OE1 3.15Å; K470-L695 HydrophobicContact CG-CD2 4.36Å
471I89.1Confident92.1Very high6 Ų648.5 Ų48.53%0.03124%0.236CC..SBendtrans-106.1111.1-176.1-60.5174.7000107.8L467 N473 F474 R687 I688L467-I471 HydrophobicContact CB-CD1 4.36Å; L467-I471 HydrophobicContact CD2-CD1 4.5Å; L467-I471 VanDerWaalsContact O-CB 3.3Å; L467-I471 WeakPolarHBondContact O-CB 3.23Å; L467-I471 VanDerWaalsContact O-CG1 3.25Å; L467-I471 WeakPolarHBondContact O-CG1 3.47Å; L467-I471 PolarHBondContact O-N 2.97Å; I471-N473 PolarHBondContact O-N 2.78Å; I471-F474 HydrophobicContact CB-CB 3.94Å; I471-F474 HydrophobicContact CB-CD2 4.36Å; I471-F474 HydrophobicContact CB-CG 4.28Å; I471-F474 HydrophobicContact CD1-CD2 4.48Å; I471-F474 HydrophobicContact CG2-CB 3.93Å; I471-F474 HydrophobicContact CG2-CD2 3.97Å; I471-F474 HydrophobicContact CG2-CG 4.26Å; I471-F474 WeakPolarHBondContact O-CB 3.43Å; I471-F474 PolarHBondContact O-N 2.82Å; I471-R687 HydrophobicContact CD1-CB 4.46Å; I471-R687 HydrophobicContact CG1-CB 4.49Å; I471-R687 HydrophobicContact CG2-CB 4.36Å; I471-I688 HydrophobicContact CD1-CG1 3.82Å
472D81.6Confident91.8Very high116 Ų11655.8 Ų55.862%0.6227%0.266SS*.THydrogen-bonded Turntrans-54.3137.8178.3-53.5-47.7000112.5F474 R687D472-F474 VanDerWaalsContact C-N 3.3Å; D472-F474 PolarHBondContact O-N 2.82Å; D472-R687 PolarHBondContact O-NH1 3Å; D472-R687 PolarHBondContact O-NH2 3.23Å
473N79.9Confident91.5Very high101 Ų10157.5 Ų57.554%0.5428%0.275SS..THydrogen-bonded Turntrans55.838.1-179.4-62.2-24.1000114.3L423 I471 L475L423-N473 HydrophobicContact CD1-CB 4.05Å; L423-N473 HydrophobicContact CD2-CB 3.7Å; L423-N473 HydrophobicContact CG-CB 4.48Å; I471-N473 PolarHBondContact O-N 2.78Å; N473-L475 PolarHBondContact O-N 2.96Å
474F86.5Confident91.1Very high14 Ų1459.7 Ų59.76%0.06130%0.298CS..  trans-9778.3177.5-168-90.3000111.7R430 V432 I464 I471 D472 Y476 M509 L684R430-F474 HydrophobicContact CB-CE2 4.41Å; R430-F474 HydrophobicContact CG-CD2 4.37Å; R430-F474 HydrophobicContact CG-CE2 4.15Å; V432-F474 HydrophobicContact CG2-CZ 4.45Å; I464-F474 HydrophobicContact CG2-CE1 4.47Å; I471-F474 HydrophobicContact CB-CB 3.94Å; I471-F474 HydrophobicContact CB-CD2 4.36Å; I471-F474 HydrophobicContact CB-CG 4.28Å; I471-F474 HydrophobicContact CD1-CD2 4.48Å; I471-F474 HydrophobicContact CG2-CB 3.93Å; I471-F474 HydrophobicContact CG2-CD2 3.97Å; I471-F474 HydrophobicContact CG2-CG 4.26Å; I471-F474 WeakPolarHBondContact O-CB 3.43Å; I471-F474 PolarHBondContact O-N 2.82Å; D472-F474 VanDerWaalsContact C-N 3.3Å; D472-F474 PolarHBondContact O-N 2.82Å; F474-Y476 HydrophobicContact CD1-CD1 4.03Å; F474-Y476 AromaticContact CE1-CD1 3.99Å; F474-Y476 HydrophobicContact CE1-CD1 3.99Å; F474-Y476 HydrophobicContact CE1-CG 4.16Å; F474-M509 HydrophobicContact CE2-SD 3.69Å; F474-M509 HydrophobicContact CZ-CE 4.14Å; F474-M509 HydrophobicContact CZ-SD 3.44Å; F474-M509 WeakPolarHBondContact CZ-SD 3.31Å; F474-L684 HydrophobicContact CD2-CD2 4.33Å; F474-L684 HydrophobicContact CE2-CD2 4.21Å
475L88.5Confident90.8Very high76 Ų7664.9 Ų64.940%0.39832%0.321SS..EExtended strand (participates in β ladder)trans-80.1139.9165.8-64173.6000108.9N427 V429 R430 N473N427-L475 HydrophobicContact CB-CD1 3.52Å; V429-L475 HydrophobicContact CG2-CB 4.3Å; R430-L475 WeakPolarHBondContact CB-O 3.39Å; R430-L475 PolarHBondContact N-O 2.96Å; N473-L475 PolarHBondContact O-N 2.96Å
476Y93.2Very high90.6Very high46 Ų4661.7 Ų61.718%0.1831%0.311CS..EExtended strand (participates in β ladder)trans-141.6152.5-175.867.7-87000113.4R430 N453 I464 F474 I478R430-Y476 CarbonylContact O-C 3.56Å; R430-Y476 WeakPolarHBondContact O-CA 3.08Å; N453-Y476 HydrophobicContact CB-CE2 4.4Å; N453-Y476 WeakPolarHBondContact ND2-CD2 3.01Å; N453-Y476 VanDerWaalsContact ND2-CE2 3.28Å; N453-Y476 WeakPolarHBondContact ND2-CE2 3.5Å; N453-Y476 PolarHBondContact ND2-O 3.32Å; I464-Y476 HydrophobicContact CB-CE2 4.46Å; I464-Y476 HydrophobicContact CG2-CD1 4.02Å; I464-Y476 HydrophobicContact CG2-CD2 3.43Å; I464-Y476 VanDerWaalsContact CG2-CD2 3.43Å; I464-Y476 HydrophobicContact CG2-CE1 4.01Å; I464-Y476 HydrophobicContact CG2-CE2 3.42Å; I464-Y476 VanDerWaalsContact CG2-CE2 3.42Å; I464-Y476 HydrophobicContact CG2-CG 3.74Å; F474-Y476 HydrophobicContact CD1-CD1 4.03Å; F474-Y476 AromaticContact CE1-CD1 3.99Å; F474-Y476 HydrophobicContact CE1-CD1 3.99Å; F474-Y476 HydrophobicContact CE1-CG 4.16Å; Y476-I478 HydrophobicContact CD2-CG1 4.02Å; Y476-I478 HydrophobicContact CE2-CD1 4.12Å; Y476-I478 HydrophobicContact CE2-CG1 4Å
477E93.4Very high90.3Very high73 Ų7360.5 Ų60.534%0.34131%0.305SS..EExtended strand (participates in β ladder)trans-125.5125.4170.9-171.4-163.114400108.6V429 R430 V432 N453 R479V429-E477 HydrophobicContact CG1-CB 3.88Å; R430-E477 PolarHBondContact O-N 3.46Å; V432-E477 PolarHBondContact N-O 2.64Å; N453-E477 WeakPolarHBondContact OD1-CA 3.44Å; E477-R479 IonicContact OE1-CZ 3.9Å; E477-R479 IonicContact OE1-NE 2.84Å; E477-R479 PolarHBondContact OE1-NE 2.75Å; E477-R479 IonicContact OE1-NH2 2.75Å; E477-R479 PolarHBondContact OE1-NH2 3.23Å; E477-R479 IonicContact OE2-CZ 2.59Å; E477-R479 IonicContact OE2-NE 2.84Å; E477-R479 IonicContact OE2-NH2 2.7Å; E477-R479 PolarHBondContact OE2-NH2 2.59Å
478I95.4Very high90Very high7 Ų763.3 Ų63.34%0.03633%0.325CS..EExtended strand (participates in β ladder)trans-83.3123.2177.4-59.2176.5000109.2V432 T434 N453 F456 V461 I464 Y476V432-I478 WeakPolarHBondContact O-CA 3.19Å; T434-I478 HydrophobicContact CG2-CG2 3.7Å; N453-I478 HydrophobicContact CB-CD1 4.28Å; N453-I478 HydrophobicContact CB-CG1 4.49Å; N453-I478 PolarHBondContact OD1-N 2.99Å; F456-I478 HydrophobicContact CD2-CB 4.19Å; F456-I478 HydrophobicContact CD2-CD1 4.45Å; F456-I478 HydrophobicContact CD2-CG2 3.95Å; F456-I478 HydrophobicContact CE2-CB 4.3Å; F456-I478 HydrophobicContact CE2-CG2 4.03Å; V461-I478 HydrophobicContact CG1-CD1 4.22Å; I464-I478 HydrophobicContact CD1-CD1 4.16Å; I464-I478 HydrophobicContact CD1-CG1 4.25Å; Y476-I478 HydrophobicContact CD2-CG1 4.02Å; Y476-I478 HydrophobicContact CE2-CD1 4.12Å; Y476-I478 HydrophobicContact CE2-CG1 4Å
479R94.3Very high89.8Confident103 Ų10367 Ų6739%0.38934%0.342SS..EExtended strand (participates in β ladder)trans-119.6139.4172.9-64.6-168.1-177160.76.2111I431 V432 N433 T434 E477I431-R479 HydrophobicContact CG2-CB 4.36Å; I431-R479 HydrophobicContact CG2-CG 4.05Å; V432-R479 PolarHBondContact O-N 3.44Å; N433-R479 CarbonylContact C-O 3.46Å; N433-R479 VanDerWaalsContact CA-O 3.28Å; N433-R479 WeakPolarHBondContact CA-O 3.46Å; T434-R479 PolarHBondContact N-O 3.24Å; E477-R479 IonicContact OE1-CZ 3.9Å; E477-R479 IonicContact OE1-NE 2.84Å; E477-R479 PolarHBondContact OE1-NE 2.75Å; E477-R479 IonicContact OE1-NH2 2.75Å; E477-R479 PolarHBondContact OE1-NH2 3.23Å; E477-R479 IonicContact OE2-CZ 2.59Å; E477-R479 IonicContact OE2-NE 2.84Å; E477-R479 IonicContact OE2-NH2 2.7Å; E477-R479 PolarHBondContact OE2-NH2 2.59Å
480L94.3Very high89.4Confident50 Ų5062.7 Ų62.726%0.26232%0.324SS..EExtended strand (participates in β ladder)trans-84.4142.4173.9-62.6178.1000110.1T434 L436 Y443 F456 K482T434-L480 HydrophobicContact CG2-CD2 3.87Å; T434-L480 CarbonylContact O-C 3.57Å; T434-L480 VanDerWaalsContact O-CA 3.28Å; T434-L480 WeakPolarHBondContact O-CA 3.16Å; L436-L480 HydrophobicContact CD1-CD1 4.12Å; L436-L480 HydrophobicContact CD2-CD1 4.24Å; L436-L480 HydrophobicContact CD2-CD2 4.14Å; L436-L480 HydrophobicContact CG-CD1 4.03Å; L436-L480 HydrophobicContact CG-CD2 4.13Å; Y443-L480 VanDerWaalsContact OH-CD1 3.27Å; Y443-L480 WeakPolarHBondContact OH-CD1 3.47Å; F456-L480 HydrophobicContact CE1-CD1 3.9Å; F456-L480 HydrophobicContact CE1-CD2 4.03Å; F456-L480 HydrophobicContact CE1-CG 4.06Å; F456-L480 HydrophobicContact CZ-CD1 4.09Å; F456-L480 HydrophobicContact CZ-CD2 4.28Å; F456-L480 HydrophobicContact CZ-CG 3.99Å; L480-K482 PolarHBondContact O-N 2.79Å
481A92.4Very high89Confident10 Ų1066 Ų668%0.08335%0.353CS..  trans-54.1130.2173.500000110.4T434 D483 G484 L498 E501T434-A481 PolarHBondContact O-N 3.39Å; A481-D483 PolarHBondContact O-N 2.67Å; A481-G484 PolarHBondContact O-N 3.47Å; A481-G484 VanDerWaalsContact O-N 3.14Å; A481-L498 HydrophobicContact CB-CD2 3.7Å; A481-L498 HydrophobicContact CB-CG 4.09Å; A481-E501 WeakPolarHBondContact CA-OE1 3.39Å
482K90.2Very high88.6Confident169 Ų16971 Ų7174%0.73538%0.38SS*.THydrogen-bonded Turntrans-60.9-33.3-176.4-69.7173.3178.61650112.9L480 E501 E506L480-K482 PolarHBondContact O-N 2.79Å; K482-E501 PolarHBondContact N-OE1 3.31Å; K482-E506 WeakPolarHBondContact CE-OE2 3.34Å; K482-E506 IonicContact NZ-OE2 3.82Å; K482-E506 PolarHBondContact NZ-OE2 3.04Å
483D89.5Confident88.5Confident69 Ų6967.8 Ų67.837%0.36937%0.374SS..THydrogen-bonded Turntrans-100.5-2.1-179.865.11.6000113.6A481 K485 G497A481-D483 PolarHBondContact O-N 2.67Å; D483-K485 PolarHBondContact O-N 2.85Å; D483-K485 PolarHBondContact OD1-N 3.2Å; D483-G497 WeakPolarHBondContact OD1-CA 3.45Å; D483-G497 VanDerWaalsContact OD2-CA 3.26Å; D483-G497 WeakPolarHBondContact OD2-CA 3.49Å; D483-G497 PolarHBondContact OD2-N 3.35Å
484G89.7Confident88.8Confident47 Ų4766.6 Ų66.649%0.48537%0.371SS..  trans6611-176.900000115.3A481A481-G484 PolarHBondContact O-N 3.47Å; A481-G484 VanDerWaalsContact O-N 3.14Å
485K89.2Confident89Confident108 Ų10867.6 Ų67.647%0.4737%0.374SS..  trans-101.1153.7-175.7-66175.9177.6175.30112.4D483 D496 G497 L498D483-K485 PolarHBondContact O-N 2.85Å; D483-K485 PolarHBondContact OD1-N 3.2Å; K485-D496 WeakPolarHBondContact CD-OD2 3.27Å; K485-D496 IonicContact NZ-OD2 3.51Å; K485-D496 PolarHBondContact NZ-OD2 3.34Å; K485-G497 CarbonylContact O-C 3.57Å; K485-G497 WeakPolarHBondContact O-CA 3.42Å; K485-L498 PolarHBondContact O-N 2.93Å
486T91.1Very high89.1Confident46 Ų4665 Ų6528%0.28236%0.361SS..  trans-76.1-23.8176.762.60000113.5Y435 R520Y435-T486 HydrophobicContact CD1-CG2 4.37Å; Y435-T486 HydrophobicContact CE1-CG2 3.89Å; Y435-T486 HydrophobicContact CE2-CG2 4.2Å; T486-R520 PolarHBondContact OG1-NH2 2.72Å
487G87.9Confident89.1Confident2 Ų262.8 Ų62.82%0.02135%0.352CS..  trans107.3123.5176.500000114.2D496 R520G487-D496 WeakPolarHBondContact CA-O 3.27Å; G487-D496 WeakPolarHBondContact CA-OD1 3.15Å; G487-R520 PolarHBondContact O-NE 3.39Å; G487-R520 PolarHBondContact O-NH2 2.77Å
488S88.4Confident89.1Confident60 Ų6059.3 Ų59.342%0.4234%0.336SS..  trans-139.3155-17660.60000110.2T490 W495 D496S488-T490 PolarHBondContact O-N 3.03Å; S488-W495 WeakPolarHBondContact O-CA 3.33Å; S488-D496 WeakPolarHBondContact CA-OD1 3.43Å; S488-D496 PolarHBondContact N-OD1 2.95Å; S488-D496 PolarHBondContact O-N 3.3Å; S488-D496 VanDerWaalsContact O-OD1 3.1Å; S488-D496 PolarHBondContact OG-OD1 3.38Å
489L88.2Confident89.1Confident105 Ų10559 Ų5955%0.5533%0.334SS..BIsolated β-bridgetrans-74117176.9-172.977000108.8T494 W495L489-T494 WeakPolarHBondContact CA-O 3.37Å; L489-T494 WeakPolarHBondContact CD1-O 3.27Å; L489-W495 HydrophobicContact CB-CZ2 4.32Å; L489-W495 HydrophobicContact CD1-CD2 4.4Å; L489-W495 HydrophobicContact CD1-CG 4.41Å; L489-W495 HydrophobicContact CD1-CZ2 4.35Å
490T85.2Confident88.9Confident33 Ų3354.2 Ų54.220%0.20232%0.316CS..  trans-77.6158.4176.742.40000110.8S488 D492 G493 T494 D496S488-T490 PolarHBondContact O-N 3.03Å; T490-D492 WeakPolarHBondContact CB-OD1 3.39Å; T490-D492 PolarHBondContact O-N 3.25Å; T490-D492 VanDerWaalsContact O-N 3.1Å; T490-D492 PolarHBondContact OG1-OD1 3.36Å; T490-G493 PolarHBondContact O-N 3.39Å; T490-T494 PolarHBondContact N-O 3.24Å; T490-T494 PolarHBondContact OG1-O 3.26Å; T490-T494 PolarHBondContact OG1-OG1 3.35Å; T490-D496 HydrophobicContact CG2-CB 4.01Å
491P82.1Confident88.8Confident145 Ų14552.2 Ų52.294%0.94231%0.306SS*.THydrogen-bonded Turntrans-60-21.7-175.8-25.935.3000115.4G493P491-G493 VanDerWaalsContact C-N 3.26Å
492D80.7Confident88.7Confident111 Ų11151.9 Ų51.959%0.59430%0.303SS*.THydrogen-bonded Turntrans-77.7-6.2174.865.6-18.6000113.6T490 T494T490-D492 WeakPolarHBondContact CB-OD1 3.39Å; T490-D492 PolarHBondContact O-N 3.25Å; T490-D492 VanDerWaalsContact O-N 3.1Å; T490-D492 PolarHBondContact OG1-OD1 3.36Å; D492-T494 VanDerWaalsContact CG-OG1 3.27Å; D492-T494 PolarHBondContact OD1-N 3.05Å; D492-T494 PolarHBondContact OD1-OG1 3.43Å; D492-T494 VanDerWaalsContact OD1-OG1 3.05Å; D492-T494 WeakPolarHBondContact OD2-CG2 3.46Å; D492-T494 PolarHBondContact OD2-OG1 3.46Å
493G79.5Confident88.6Confident49 Ų4947.7 Ų47.751%0.50529%0.288SS..SBendtrans88.62.5-177.900000114.7T490 P491T490-G493 PolarHBondContact O-N 3.39Å; P491-G493 VanDerWaalsContact C-N 3.26Å
494T85.9Confident88.4Confident76 Ų7650.8 Ų50.847%0.46629%0.294SS..  trans-87.8175.4173.471.10000111.3L489 T490 D492L489-T494 WeakPolarHBondContact CA-O 3.37Å; L489-T494 WeakPolarHBondContact CD1-O 3.27Å; T490-T494 PolarHBondContact N-O 3.24Å; T490-T494 PolarHBondContact OG1-O 3.26Å; T490-T494 PolarHBondContact OG1-OG1 3.35Å; D492-T494 VanDerWaalsContact CG-OG1 3.27Å; D492-T494 PolarHBondContact OD1-N 3.05Å; D492-T494 PolarHBondContact OD1-OG1 3.43Å; D492-T494 VanDerWaalsContact OD1-OG1 3.05Å; D492-T494 WeakPolarHBondContact OD2-CG2 3.46Å; D492-T494 PolarHBondContact OD2-OG1 3.46Å
495W90.5Very high88.2Confident35 Ų3551.4 Ų51.413%0.13330%0.3CS..BIsolated β-bridgetrans-117.2132.3177.3-76.680.4000110S488 L489 V499 G500 L503 R504 A519 R520 V523S488-W495 WeakPolarHBondContact O-CA 3.33Å; L489-W495 HydrophobicContact CB-CZ2 4.32Å; L489-W495 HydrophobicContact CD1-CD2 4.4Å; L489-W495 HydrophobicContact CD1-CG 4.41Å; L489-W495 HydrophobicContact CD1-CZ2 4.35Å; W495-V499 HydrophobicContact CB-CG1 4.5Å; W495-V499 HydrophobicContact CD2-CG1 4.02Å; W495-V499 HydrophobicContact CE3-CB 4.17Å; W495-V499 HydrophobicContact CE3-CG1 3.72Å; W495-V499 HydrophobicContact CG-CG1 4.38Å; W495-V499 HydrophobicContact CZ3-CG1 4.28Å; W495-G500 WeakPolarHBondContact O-CA 3.36Å; W495-L503 HydrophobicContact CB-CD1 3.77Å; W495-L503 HydrophobicContact CG-CD1 3.72Å; W495-R504 PolarHBondContact O-NH1 2.93Å; W495-R504 VanDerWaalsContact O-NH1 3.12Å; W495-A519 HydrophobicContact CH2-CB 4Å; W495-A519 HydrophobicContact CZ2-CB 4.5Å; W495-R520 HydrophobicContact CH2-CG 4.02Å; W495-R520 HydrophobicContact CZ3-CG 3.87Å; W495-V523 HydrophobicContact CD2-CG2 4.27Å; W495-V523 HydrophobicContact CH2-CG2 4.4Å; W495-V523 HydrophobicContact CZ2-CG1 4.25Å; W495-V523 HydrophobicContact CZ2-CG2 3.85Å
496D89.9Confident88.1Confident21 Ų2149.2 Ų49.211%0.11229%0.292CS..  trans-90.9-176.8171.674-5000111.9K485 G487 S488 T490 G500K485-D496 WeakPolarHBondContact CD-OD2 3.27Å; K485-D496 IonicContact NZ-OD2 3.51Å; K485-D496 PolarHBondContact NZ-OD2 3.34Å; G487-D496 WeakPolarHBondContact CA-O 3.27Å; G487-D496 WeakPolarHBondContact CA-OD1 3.15Å; S488-D496 WeakPolarHBondContact CA-OD1 3.43Å; S488-D496 PolarHBondContact N-OD1 2.95Å; S488-D496 PolarHBondContact O-N 3.3Å; S488-D496 VanDerWaalsContact O-OD1 3.1Å; S488-D496 PolarHBondContact OG-OD1 3.38Å; T490-D496 HydrophobicContact CG2-CB 4.01Å; D496-G500 PolarHBondContact O-N 2.01Å
497G92.8Very high88.1Confident0 Ų047.2 Ų47.20%028%0.28CS..Hα-helixtrans62.2-160.5174.400000116.2D483 K485 V499 G500 E501D483-G497 WeakPolarHBondContact OD1-CA 3.45Å; D483-G497 VanDerWaalsContact OD2-CA 3.26Å; D483-G497 WeakPolarHBondContact OD2-CA 3.49Å; D483-G497 PolarHBondContact OD2-N 3.35Å; K485-G497 CarbonylContact O-C 3.57Å; K485-G497 WeakPolarHBondContact O-CA 3.42Å; G497-V499 VanDerWaalsContact C-N 3.28Å; G497-V499 PolarHBondContact O-N 3.16Å; G497-G500 WeakPolarHBondContact O-CA 3.43Å; G497-G500 PolarHBondContact O-N 3.04Å; G497-E501 PolarHBondContact O-N 3.24Å
498L94.9Very high88.3Confident0 Ų049.5 Ų49.50%029%0.292CS..Hα-helixtrans-53.9-41.9178.9-66.9170.2000113.4N433 Y435 A481 K485 E501 L502 T510 A512N433-L498 HydrophobicContact CB-CD2 3.8Å; N433-L498 PolarHBondContact ND2-O 3.03Å; N433-L498 VanDerWaalsContact ND2-O 3.16Å; Y435-L498 HydrophobicContact CD1-CD1 3.77Å; Y435-L498 HydrophobicContact CG-CD1 4.42Å; A481-L498 HydrophobicContact CB-CD2 3.7Å; A481-L498 HydrophobicContact CB-CG 4.09Å; K485-L498 PolarHBondContact O-N 2.93Å; L498-E501 PolarHBondContact O-N 3.23Å; L498-L502 WeakPolarHBondContact O-CB 3.35Å; L498-L502 PolarHBondContact O-N 2.83Å; L498-T510 HydrophobicContact CB-CG2 3.78Å; L498-T510 HydrophobicContact CD1-CG2 3.8Å; L498-T510 HydrophobicContact CD2-CG2 4.19Å; L498-T510 HydrophobicContact CG-CG2 4.15Å; L498-A512 HydrophobicContact CD1-CB 3.75Å
499V93.5Very high88.6Confident1 Ų146.6 Ų46.61%0.00627%0.272CS..Hα-helixtrans-64.8-42177.3177.30000110.7W495 G497 L502 L503 L514 R520 V523 V524W495-V499 HydrophobicContact CB-CG1 4.5Å; W495-V499 HydrophobicContact CD2-CG1 4.02Å; W495-V499 HydrophobicContact CE3-CB 4.17Å; W495-V499 HydrophobicContact CE3-CG1 3.72Å; W495-V499 HydrophobicContact CG-CG1 4.38Å; W495-V499 HydrophobicContact CZ3-CG1 4.28Å; G497-V499 VanDerWaalsContact C-N 3.28Å; G497-V499 PolarHBondContact O-N 3.16Å; V499-L502 WeakPolarHBondContact O-CB 3.5Å; V499-L502 PolarHBondContact O-N 3.39Å; V499-L503 HydrophobicContact CG1-CD1 4.11Å; V499-L503 VanDerWaalsContact O-CG 3.32Å; V499-L503 WeakPolarHBondContact O-CG 2.92Å; V499-L503 PolarHBondContact O-N 2.9Å; V499-L514 HydrophobicContact CG2-CD1 4.41Å; V499-L514 HydrophobicContact CG2-CD2 4.24Å; V499-R520 HydrophobicContact CG2-CG 4.16Å; V499-V523 HydrophobicContact CG1-CG2 3.91Å; V499-V524 HydrophobicContact CG1-CG1 4.07Å; V499-V524 HydrophobicContact CG1-CG2 4.48Å
500G91.2Very high89Confident1 Ų141.6 Ų41.61%0.0125%0.246CC..Hα-helixtrans-61.5-44.6175.100000113.2W495 D496 G497 L502 L503 R504W495-G500 WeakPolarHBondContact O-CA 3.36Å; D496-G500 PolarHBondContact O-N 2.01Å; G497-G500 WeakPolarHBondContact O-CA 3.43Å; G497-G500 PolarHBondContact O-N 3.04Å; G500-L502 VanDerWaalsContact C-N 3.31Å; G500-L502 PolarHBondContact O-N 3.36Å; G500-L503 PolarHBondContact O-N 3.36Å; G500-R504 VanDerWaalsContact C-CZ 3.44Å; G500-R504 VanDerWaalsContact C-NH1 3.33Å; G500-R504 WeakPolarHBondContact O-CG 3.43Å; G500-R504 PolarHBondContact O-N 3.07Å; G500-R504 PolarHBondContact O-NH1 2.82Å
501E91.2Very high89.5Confident9 Ų940 Ų404%0.04224%0.236CC..Hα-helixtrans-62.3-38.5176.2-72.1179.1176.400112N433 A481 K482 G497 L498 R504 G505 E506N433-E501 WeakPolarHBondContact ND2-CB 3.46Å; N433-E501 PolarHBondContact ND2-OE2 3.34Å; A481-E501 WeakPolarHBondContact CA-OE1 3.39Å; K482-E501 PolarHBondContact N-OE1 3.31Å; G497-E501 PolarHBondContact O-N 3.24Å; L498-E501 PolarHBondContact O-N 3.23Å; E501-R504 PolarHBondContact O-N 2.78Å; E501-G505 PolarHBondContact O-N 2.64Å; E501-E506 HydrophobicContact CB-CB 4.26Å; E501-E506 PolarHBondContact O-N 3Å
502L91.7Very high90.2Very high3 Ų333.2 Ų33.22%0.01619%0.191CC..Hα-helixtrans-64.8-40.9175.4-159.167.5000111.7L498 V499 G500 G505 A507 V524 A677 T678 P679L498-L502 WeakPolarHBondContact O-CB 3.35Å; L498-L502 PolarHBondContact O-N 2.83Å; V499-L502 WeakPolarHBondContact O-CB 3.5Å; V499-L502 PolarHBondContact O-N 3.39Å; G500-L502 VanDerWaalsContact C-N 3.31Å; G500-L502 PolarHBondContact O-N 3.36Å; L502-G505 PolarHBondContact O-N 2.88Å; L502-A507 HydrophobicContact CD1-CB 4.31Å; L502-V524 HydrophobicContact CB-CG1 4.43Å; L502-V524 HydrophobicContact CD2-CB 3.99Å; L502-V524 HydrophobicContact CD2-CG1 3.65Å; L502-V524 HydrophobicContact CG-CG1 4.36Å; L502-A677 HydrophobicContact CD2-CB 3.85Å; L502-T678 VanDerWaalsContact CD2-C 3.48Å; L502-P679 HydrophobicContact CD1-CG 4.01Å; L502-P679 HydrophobicContact CG-CG 4.04Å
503L87.8Confident90.8Very high81 Ų8128.1 Ų28.142%0.42417%0.165SC..Hα-helixtrans-69.2-34.1177.7-74171000113.2W495 V499 G500 G505 V523 V524W495-L503 HydrophobicContact CB-CD1 3.77Å; W495-L503 HydrophobicContact CG-CD1 3.72Å; V499-L503 HydrophobicContact CG1-CD1 4.11Å; V499-L503 VanDerWaalsContact O-CG 3.32Å; V499-L503 WeakPolarHBondContact O-CG 2.92Å; V499-L503 PolarHBondContact O-N 2.9Å; G500-L503 PolarHBondContact O-N 3.36Å; L503-G505 PolarHBondContact O-N 3.27Å; L503-V523 HydrophobicContact CD1-CB 4.06Å; L503-V523 HydrophobicContact CD1-CG2 4.14Å; L503-V523 HydrophobicContact CD2-CB 4.08Å; L503-V523 VanDerWaalsContact CD2-O 3.24Å; L503-V523 WeakPolarHBondContact CD2-O 3.39Å; L503-V524 HydrophobicContact CD2-CG1 4.15Å; L503-V524 HydrophobicContact CG-CG1 4.2Å
504R85.2Confident91.5Very high134 Ų13425.9 Ų25.951%0.50614%0.141SC..THydrogen-bonded Turntrans-78-5.9175.8-69.3-174.1-60.8-87.3-0.2113.2W495 G500 E501 E506W495-R504 PolarHBondContact O-NH1 2.93Å; W495-R504 VanDerWaalsContact O-NH1 3.12Å; G500-R504 VanDerWaalsContact C-CZ 3.44Å; G500-R504 VanDerWaalsContact C-NH1 3.33Å; G500-R504 WeakPolarHBondContact O-CG 3.43Å; G500-R504 PolarHBondContact O-N 3.07Å; G500-R504 PolarHBondContact O-NH1 2.82Å; E501-R504 PolarHBondContact O-N 2.78Å; R504-E506 VanDerWaalsContact C-N 3.31Å; R504-E506 HydrophobicContact CB-CG 4.1Å; R504-E506 IonicContact CZ-OE1 2.85Å; R504-E506 IonicContact NE-OE1 3.39Å; R504-E506 PolarHBondContact NE-OE1 3.17Å; R504-E506 IonicContact NH2-OE1 3.31Å
505G86.3Confident91.9Very high59 Ų5923.5 Ų23.561%0.60813%0.126SC*.THydrogen-bonded Turntrans73.620.5-177.400000113.9E501 L502 L503 A507E501-G505 PolarHBondContact O-N 2.64Å; L502-G505 PolarHBondContact O-N 2.88Å; L503-G505 PolarHBondContact O-N 3.27Å; G505-A507 VanDerWaalsContact C-N 3.32Å
506E87Confident92.1Very high62 Ų6223.5 Ų23.529%0.2913%0.129SC..SBendtrans-78.6-19.8176.9-63.4-178.6-137.400112.5K482 E501 R504K482-E506 WeakPolarHBondContact CE-OE2 3.34Å; K482-E506 IonicContact NZ-OE2 3.82Å; K482-E506 PolarHBondContact NZ-OE2 3.04Å; E501-E506 HydrophobicContact CB-CB 4.26Å; E501-E506 PolarHBondContact O-N 3Å; R504-E506 VanDerWaalsContact C-N 3.31Å; R504-E506 HydrophobicContact CB-CG 4.1Å; R504-E506 IonicContact CZ-OE1 2.85Å; R504-E506 IonicContact NE-OE1 3.39Å; R504-E506 PolarHBondContact NE-OE1 3.17Å; R504-E506 IonicContact NH2-OE1 3.31Å
507A90.7Very high92Very high4 Ų425.1 Ų25.13%0.03314%0.137CC..  trans-131.9147.9176.300000110.4I431 N433 L502 G505I431-A507 HydrophobicContact CG2-CB 4.22Å; N433-A507 HydrophobicContact CB-CB 3.68Å; L502-A507 HydrophobicContact CD1-CB 4.31Å; G505-A507 VanDerWaalsContact C-N 3.32Å
508D91Very high91.9Very high50 Ų5034 Ų3427%0.26717%0.171SC..SBendtrans-84.5-28.3176.2-67.7-62.2000111.9R430 I431 P679R430-D508 VanDerWaalsContact CA-OD2 3.26Å; R430-D508 WeakPolarHBondContact CA-OD2 3.13Å; R430-D508 HydrophobicContact CB-CB 4.37Å; I431-D508 PolarHBondContact N-OD2 3.46Å; I431-D508 PolarHBondContact O-N 2.89Å; D508-P679 WeakPolarHBondContact O-CD 3.16Å
509M94.5Very high91.6Very high0 Ų036.6 Ų36.60%019%0.192CC..EExtended strand (participates in β ladder)trans-160.3158.5177.261.4-173.8-83.700111.9I431 V432 N433 L467 F474 V511 V676 A677 T678 L684 I688I431-M509 PolarHBondContact O-N 2.82Å; V432-M509 WeakPolarHBondContact CA-O 3.45Å; V432-M509 HydrophobicContact CB-CG 4.42Å; V432-M509 HydrophobicContact CG1-CG 4.35Å; V432-M509 HydrophobicContact CG2-CG 3.82Å; V432-M509 HydrophobicContact CG2-SD 4.2Å; N433-M509 PolarHBondContact N-O 2.8Å; N433-M509 PolarHBondContact OD1-O 3.21Å; N433-M509 VanDerWaalsContact OD1-O 3.08Å; L467-M509 HydrophobicContact CD1-CE 4.5Å; F474-M509 HydrophobicContact CE2-SD 3.69Å; F474-M509 HydrophobicContact CZ-CE 4.14Å; F474-M509 HydrophobicContact CZ-SD 3.44Å; F474-M509 WeakPolarHBondContact CZ-SD 3.31Å; M509-V511 HydrophobicContact CE-CG2 3.33Å; M509-V676 HydrophobicContact CE-CG1 3.56Å; M509-A677 CarbonylContact C-O 3.56Å; M509-A677 WeakPolarHBondContact CA-O 3.33Å; M509-T678 HydrophobicContact CB-CG2 4.13Å; M509-L684 HydrophobicContact SD-CD1 4.2Å; M509-I688 HydrophobicContact CE-CD1 3.71Å; M509-I688 HydrophobicContact SD-CD1 3.97Å
510T96.8Very high91.5Very high0 Ų037.7 Ų37.70%020%0.196CC..EExtended strand (participates in β ladder)trans-115.3121.4176.5-52.20000110.7N433 L498 A512 L514 V676 A677N433-T510 WeakPolarHBondContact O-CA 3.35Å; N433-T510 WeakPolarHBondContact OD1-CA 3.41Å; N433-T510 WeakPolarHBondContact OD1-CB 3.24Å; N433-T510 WeakPolarHBondContact OD1-CG2 3.46Å; N433-T510 PolarHBondContact OD1-OG1 3.33Å; L498-T510 HydrophobicContact CB-CG2 3.78Å; L498-T510 HydrophobicContact CD1-CG2 3.8Å; L498-T510 HydrophobicContact CD2-CG2 4.19Å; L498-T510 HydrophobicContact CG-CG2 4.15Å; T510-A512 HydrophobicContact CG2-CB 4.3Å; T510-L514 HydrophobicContact CG2-CD2 4.2Å; T510-V676 WeakPolarHBondContact O-CA 3.33Å; T510-A677 PolarHBondContact N-O 3.4Å; T510-A677 PolarHBondContact O-N 2.71Å
511V96.8Very high91.4Very high0 Ų042.5 Ų42.50%022%0.218CC..  trans-119.9101171.5-1740000109.1V432 N433 T434 C460 L463 I464 M509 V676V432-V511 HydrophobicContact CG1-CB 3.93Å; V432-V511 HydrophobicContact CG1-CG2 3.79Å; N433-V511 PolarHBondContact O-N 3.41Å; T434-V511 VanDerWaalsContact CB-O 3.3Å; T434-V511 WeakPolarHBondContact CB-O 3.36Å; T434-V511 PolarHBondContact OG1-O 2.93Å; C460-V511 HydrophobicContact CB-CG1 4.12Å; L463-V511 HydrophobicContact CD2-CG1 4.08Å; I464-V511 HydrophobicContact CD1-CB 4.02Å; I464-V511 HydrophobicContact CD1-CG1 4.26Å; I464-V511 HydrophobicContact CG1-CB 3.81Å; I464-V511 HydrophobicContact CG1-CG1 3.81Å; I464-V511 HydrophobicContact CG1-CG2 3.93Å; M509-V511 HydrophobicContact CE-CG2 3.33Å; V511-V676 HydrophobicContact CG2-CG1 3.9Å; V511-V676 HydrophobicContact CG2-CG2 4.16Å
512A96Very high91.3Very high1 Ų150.5 Ų50.51%0.00825%0.248CC..SBendtrans-152.6176.3-178.100000109.7Y435 L498 T510 L514 Y530Y435-A512 HydrophobicContact CD1-CB 3.85Å; Y435-A512 HydrophobicContact CE1-CB 3.94Å; L498-A512 HydrophobicContact CD1-CB 3.75Å; T510-A512 HydrophobicContact CG2-CB 4.3Å; A512-L514 PolarHBondContact O-N 3.47Å; A512-Y530 PolarHBondContact O-OH 3.34Å
513S94.5Very high91.1Very high5 Ų552 Ų524%0.03526%0.257CS..SBendtrans-71.152.2168.871.40000111.4Y435 N437 Y674Y435-S513 PolarHBondContact OH-OG 3.43Å; N437-S513 PolarHBondContact ND2-OG 3.08Å; N437-S513 VanDerWaalsContact ND2-OG 3.16Å; S513-Y674 VanDerWaalsContact C-CD1 3.43Å; S513-Y674 WeakPolarHBondContact O-CE1 3.45Å
514L94.5Very high91.2Very high1 Ų148.1 Ų48.11%0.00524%0.237CC..  trans-89.7109.2-173.1-170.868.7000109.6V499 T510 A512 I516 R520 F526 Y674 G675 A677V499-L514 HydrophobicContact CG2-CD1 4.41Å; V499-L514 HydrophobicContact CG2-CD2 4.24Å; T510-L514 HydrophobicContact CG2-CD2 4.2Å; A512-L514 PolarHBondContact O-N 3.47Å; L514-I516 PolarHBondContact O-N 3.16Å; L514-R520 VanDerWaalsContact CD1-CZ 3.47Å; L514-R520 VanDerWaalsContact CD1-NH1 3.27Å; L514-F526 HydrophobicContact CD2-CE1 3.69Å; L514-F526 HydrophobicContact CD2-CZ 3.89Å; L514-F526 HydrophobicContact CG-CE1 4.06Å; L514-F526 HydrophobicContact CG-CZ 4.28Å; L514-Y674 WeakPolarHBondContact O-CA 3.49Å; L514-G675 PolarHBondContact O-N 3.5Å; L514-A677 HydrophobicContact CD2-CB 3.89Å
515V94.2Very high91.5Very high26 Ų2642.4 Ų42.416%0.15822%0.216CC..BIsolated β-bridgetrans-65.2126.2177.2-179.40000110.5N517 R520 E647 V672 Y674V515-N517 PolarHBondContact O-N 3.2Å; V515-R520 PolarHBondContact O-NH1 3.43Å; V515-R520 VanDerWaalsContact O-NH1 3.14Å; V515-E647 WeakPolarHBondContact CG2-OE1 3.33Å; V515-V672 HydrophobicContact CG1-CB 3.97Å; V515-V672 HydrophobicContact CG1-CG1 4.38Å; V515-V672 HydrophobicContact CG1-CG2 4.1Å; V515-Y674 HydrophobicContact CG2-CD1 3.93Å; V515-Y674 HydrophobicContact CG2-CE1 3.64Å
516I93Very high91.9Very high36 Ų3640.4 Ų40.419%0.18519%0.191CC..  trans-68.4116.9171-55171.7000107.9L514 E521 F526 P529 G673L514-I516 PolarHBondContact O-N 3.16Å; I516-E521 HydrophobicContact CG2-CG 3.83Å; I516-E521 VanDerWaalsContact CG2-OE1 3.28Å; I516-E521 WeakPolarHBondContact CG2-OE1 3.39Å; I516-F526 HydrophobicContact CB-CG 4.47Å; I516-F526 HydrophobicContact CD1-CB 4.27Å; I516-F526 HydrophobicContact CD1-CD1 4.48Å; I516-F526 HydrophobicContact CG1-CB 4.19Å; I516-F526 HydrophobicContact CG1-CD1 3.68Å; I516-F526 HydrophobicContact CG1-CE1 4.12Å; I516-F526 HydrophobicContact CG1-CG 3.9Å; I516-F526 HydrophobicContact CG2-CB 4.35Å; I516-F526 HydrophobicContact CG2-CD2 4.07Å; I516-F526 HydrophobicContact CG2-CG 4.12Å; I516-P529 HydrophobicContact CD1-CB 4.06Å; I516-G673 WeakPolarHBondContact CG1-O 2.98Å; I516-G673 PolarHBondContact N-O 3.43Å
517N89.6Confident92.2Very high55 Ų5537.9 Ų37.929%0.29418%0.18SC..  trans-137.6158.217773.542.3000111.2V515 A519 R520 E521V515-N517 PolarHBondContact O-N 3.2Å; N517-A519 PolarHBondContact O-N 2.8Å; N517-A519 VanDerWaalsContact O-N 3.16Å; N517-A519 PolarHBondContact OD1-N 2.84Å; N517-A519 VanDerWaalsContact OD1-N 3.13Å; N517-R520 PolarHBondContact O-N 2.92Å; N517-R520 VanDerWaalsContact O-N 3.16Å; N517-R520 WeakPolarHBondContact OD1-CB 3.47Å; N517-R520 WeakPolarHBondContact OD1-CG 3.42Å; N517-R520 PolarHBondContact OD1-N 2.88Å; N517-E521 WeakPolarHBondContact O-CB 3.39Å; N517-E521 WeakPolarHBondContact O-CG 3.41Å; N517-E521 PolarHBondContact O-N 2.92Å
518R89.2Confident92.3Very high187 Ų18743.2 Ų43.271%0.70620%0.203SC*.THydrogen-bonded Turntrans-60.1-29.3-174.7-169177.5-173.8175.32113.8R522R518-R522 WeakPolarHBondContact O-CG 3.23Å
519A88.8Confident92.4Very high53 Ų5343.3 Ų43.344%0.43821%0.206SC..THydrogen-bonded Turntrans-73.2-42.9179.400000111W495 N517 R522W495-A519 HydrophobicContact CH2-CB 4Å; W495-A519 HydrophobicContact CZ2-CB 4.5Å; N517-A519 PolarHBondContact O-N 2.8Å; N517-A519 VanDerWaalsContact O-N 3.16Å; N517-A519 PolarHBondContact OD1-N 2.84Å; N517-A519 VanDerWaalsContact OD1-N 3.13Å; A519-R522 PolarHBondContact O-N 3.21Å
520R91.4Very high92.4Very high24 Ų2443.8 Ų43.89%0.09121%0.208CC..G310 helixtrans-71.5-39.9176.7-67.2174.7177.1162.1-7.1111.8T486 G487 W495 V499 L514 V515 N517 R522 V523 V524 F526T486-R520 PolarHBondContact OG1-NH2 2.72Å; G487-R520 PolarHBondContact O-NE 3.39Å; G487-R520 PolarHBondContact O-NH2 2.77Å; W495-R520 HydrophobicContact CH2-CG 4.02Å; W495-R520 HydrophobicContact CZ3-CG 3.87Å; V499-R520 HydrophobicContact CG2-CG 4.16Å; L514-R520 VanDerWaalsContact CD1-CZ 3.47Å; L514-R520 VanDerWaalsContact CD1-NH1 3.27Å; V515-R520 PolarHBondContact O-NH1 3.43Å; V515-R520 VanDerWaalsContact O-NH1 3.14Å; N517-R520 PolarHBondContact O-N 2.92Å; N517-R520 VanDerWaalsContact O-N 3.16Å; N517-R520 WeakPolarHBondContact OD1-CB 3.47Å; N517-R520 WeakPolarHBondContact OD1-CG 3.42Å; N517-R520 PolarHBondContact OD1-N 2.88Å; R520-R522 PolarHBondContact O-N 3.3Å; R520-V523 VanDerWaalsContact O-CG2 3.27Å; R520-V523 WeakPolarHBondContact O-CG2 3.11Å; R520-V523 PolarHBondContact O-N 2.92Å; R520-V524 HydrophobicContact CB-CG2 4.41Å; R520-V524 WeakPolarHBondContact O-CG2 3.42Å; R520-V524 PolarHBondContact O-N 2.86Å; R520-F526 HydrophobicContact CB-CE2 3.65Å; R520-F526 HydrophobicContact CB-CZ 3.89Å
521E90.5Very high92.3Very high103 Ų10344.5 Ų44.548%0.48121%0.211SC..G310 helixtrans-61-15175.9-76.7-176.1145.400114.2I516 N517 F526 F680I516-E521 HydrophobicContact CG2-CG 3.83Å; I516-E521 VanDerWaalsContact CG2-OE1 3.28Å; I516-E521 WeakPolarHBondContact CG2-OE1 3.39Å; N517-E521 WeakPolarHBondContact O-CB 3.39Å; N517-E521 WeakPolarHBondContact O-CG 3.41Å; N517-E521 PolarHBondContact O-N 2.92Å; E521-F526 HydrophobicContact CG-CD2 3.89Å; E521-F526 HydrophobicContact CG-CE2 4.3Å; E521-F680 WeakPolarHBondContact O-CZ 3.45Å
522R88.2Confident92Very high176 Ų17649.3 Ų49.366%0.66424%0.241SC*.G310 helixtrans-83.9-16.2174.1-75.1172.4175.3-163.6-1.9113.6R518 A519 R520 F680R518-R522 WeakPolarHBondContact O-CG 3.23Å; A519-R522 PolarHBondContact O-N 3.21Å; R520-R522 PolarHBondContact O-N 3.3Å; R522-F680 VanDerWaalsContact O-CE2 3.29Å; R522-F680 WeakPolarHBondContact O-CE2 3.35Å
523V87Confident91.8Very high34 Ų3449.3 Ų49.321%0.20624%0.241CC..THydrogen-bonded Turntrans-121.6-26.3-173.3-61.70000112.7W495 V499 L503 R520 F680W495-V523 HydrophobicContact CD2-CG2 4.27Å; W495-V523 HydrophobicContact CH2-CG2 4.4Å; W495-V523 HydrophobicContact CZ2-CG1 4.25Å; W495-V523 HydrophobicContact CZ2-CG2 3.85Å; V499-V523 HydrophobicContact CG1-CG2 3.91Å; L503-V523 HydrophobicContact CD1-CB 4.06Å; L503-V523 HydrophobicContact CD1-CG2 4.14Å; L503-V523 HydrophobicContact CD2-CB 4.08Å; L503-V523 VanDerWaalsContact CD2-O 3.24Å; L503-V523 WeakPolarHBondContact CD2-O 3.39Å; R520-V523 VanDerWaalsContact O-CG2 3.27Å; R520-V523 WeakPolarHBondContact O-CG2 3.11Å; R520-V523 PolarHBondContact O-N 2.92Å; V523-F680 VanDerWaalsContact CA-CE2 3.42Å; V523-F680 WeakPolarHBondContact O-CD2 3.42Å; V523-F680 WeakPolarHBondContact O-CE2 3.37Å
524V90.5Very high91.5Very high0 Ų049 Ų490%024%0.239CC..SBendtrans-133.9156175.8-61.80000111.1V499 L502 L503 R520 F526 A677V499-V524 HydrophobicContact CG1-CG1 4.07Å; V499-V524 HydrophobicContact CG1-CG2 4.48Å; L502-V524 HydrophobicContact CB-CG1 4.43Å; L502-V524 HydrophobicContact CD2-CB 3.99Å; L502-V524 HydrophobicContact CD2-CG1 3.65Å; L502-V524 HydrophobicContact CG-CG1 4.36Å; L503-V524 HydrophobicContact CD2-CG1 4.15Å; L503-V524 HydrophobicContact CG-CG1 4.2Å; R520-V524 HydrophobicContact CB-CG2 4.41Å; R520-V524 WeakPolarHBondContact O-CG2 3.42Å; R520-V524 PolarHBondContact O-N 2.86Å; V524-F526 HydrophobicContact CG2-CD2 4.34Å; V524-F526 HydrophobicContact CG2-CE2 3.72Å; V524-F526 HydrophobicContact CG2-CZ 4.08Å; V524-A677 HydrophobicContact CG2-CB 4.23Å
525D91Very high91.2Very high14 Ų1452.1 Ų52.18%0.07526%0.255CS..EExtended strand (participates in β ladder)trans-88.3138.9173.9-96.4-35.1000110.5A677 T678 F680 G681 K685D525-A677 CarbonylContact O-C 3.54Å; D525-A677 VanDerWaalsContact O-CA 3.31Å; D525-A677 WeakPolarHBondContact O-CA 3.49Å; D525-T678 PolarHBondContact N-O 3.38Å; D525-T678 PolarHBondContact O-N 3.16Å; D525-F680 HydrophobicContact CB-CD1 4.19Å; D525-F680 WeakPolarHBondContact OD1-CD1 3.36Å; D525-F680 WeakPolarHBondContact OD1-CE1 3.48Å; D525-F680 WeakPolarHBondContact OD2-CD1 3.43Å; D525-G681 PolarHBondContact OD2-N 3.37Å; D525-G681 VanDerWaalsContact OD2-N 3.1Å; D525-K685 HydrophobicContact CB-CD 3.81Å; D525-K685 IonicContact OD1-NZ 3.92Å; D525-K685 PolarHBondContact OD1-NZ 3.4Å; D525-K685 IonicContact OD2-NZ 2.72Å; D525-K685 PolarHBondContact OD2-NZ 2.79Å
526F94.3Very high91Very high17 Ų1750.9 Ų50.98%0.07525%0.248CC..EExtended strand (participates in β ladder)trans-109.6149.5172.9-75.8-86.3000112.2L514 I516 R520 E521 V524 V676 A677 K685L514-F526 HydrophobicContact CD2-CE1 3.69Å; L514-F526 HydrophobicContact CD2-CZ 3.89Å; L514-F526 HydrophobicContact CG-CE1 4.06Å; L514-F526 HydrophobicContact CG-CZ 4.28Å; I516-F526 HydrophobicContact CB-CG 4.47Å; I516-F526 HydrophobicContact CD1-CB 4.27Å; I516-F526 HydrophobicContact CD1-CD1 4.48Å; I516-F526 HydrophobicContact CG1-CB 4.19Å; I516-F526 HydrophobicContact CG1-CD1 3.68Å; I516-F526 HydrophobicContact CG1-CE1 4.12Å; I516-F526 HydrophobicContact CG1-CG 3.9Å; I516-F526 HydrophobicContact CG2-CB 4.35Å; I516-F526 HydrophobicContact CG2-CD2 4.07Å; I516-F526 HydrophobicContact CG2-CG 4.12Å; R520-F526 HydrophobicContact CB-CE2 3.65Å; R520-F526 HydrophobicContact CB-CZ 3.89Å; E521-F526 HydrophobicContact CG-CD2 3.89Å; E521-F526 HydrophobicContact CG-CE2 4.3Å; V524-F526 HydrophobicContact CG2-CD2 4.34Å; V524-F526 HydrophobicContact CG2-CE2 3.72Å; V524-F526 HydrophobicContact CG2-CZ 4.08Å; F526-V676 CarbonylContact C-O 3.52Å; F526-V676 WeakPolarHBondContact CA-O 3.47Å; F526-A677 HydrophobicContact CD1-CB 4.01Å; F526-A677 HydrophobicContact CE1-CB 3.77Å; F526-A677 HydrophobicContact CZ-CB 4.22Å; F526-K685 WeakPolarHBondContact O-CE 3.35Å
527S93.6Very high90.8Very high9 Ų951.7 Ų51.76%0.06325%0.252CS..PPolyproline II helixtrans-70.4173.9163.974.30000111.8V676 N689 I692S527-V676 PolarHBondContact N-O 2.92Å; S527-V676 PolarHBondContact OG-N 2.86Å; S527-N689 VanDerWaalsContact C-OD1 3.29Å; S527-N689 WeakPolarHBondContact CA-OD1 3.48Å; S527-N689 VanDerWaalsContact CB-OD1 3.29Å; S527-N689 WeakPolarHBondContact CB-OD1 3.46Å; S527-I692 VanDerWaalsContact OG-CD1 3.24Å; S527-I692 WeakPolarHBondContact OG-CD1 3.39Å
528K92.8Very high90.9Very high116 Ų11649.1 Ų49.150%0.50424%0.238SC..SBendtrans-55.5141.8159.4-66.7-62.1-175.91780109.2Y530 N689 L693K528-Y530 PolarHBondContact O-N 3.2Å; K528-N689 PolarHBondContact N-OD1 2.95Å; K528-L693 HydrophobicContact CG-CD2 4.47Å
529P94.4Very high90.9Very high53 Ų5342.7 Ų42.734%0.34422%0.217SC..PPolyproline II helixtrans-64.4128.1-178.325.7-33000109.8I516 Y674I516-P529 HydrophobicContact CD1-CB 4.06Å; P529-Y674 CarbonylContact C-O 3.59Å; P529-Y674 WeakPolarHBondContact CA-O 3.44Å
530Y94.5Very high90.9Very high9 Ų942.5 Ų42.54%0.03521%0.206CC..SBendtrans-87.3-15.4178.964-103.2000112.4Y459 L463 A512 K528 Y674 V676Y459-Y530 HydrophobicContact CD1-CE2 4.35Å; Y459-Y530 AromaticContact CE1-CD2 3.77Å; Y459-Y530 HydrophobicContact CE1-CD2 3.77Å; Y459-Y530 AromaticContact CE1-CE2 3.61Å; Y459-Y530 HydrophobicContact CE1-CE2 3.61Å; L463-Y530 HydrophobicContact CD2-CD1 3.99Å; L463-Y530 HydrophobicContact CD2-CD2 3.95Å; L463-Y530 HydrophobicContact CD2-CE1 4.17Å; L463-Y530 HydrophobicContact CD2-CE2 4.15Å; L463-Y530 HydrophobicContact CD2-CG 3.87Å; A512-Y530 PolarHBondContact O-OH 3.34Å; K528-Y530 PolarHBondContact O-N 3.2Å; Y530-Y674 WeakPolarHBondContact CD1-O 3.32Å; Y530-Y674 HydrophobicContact CE2-CD2 4.46Å; Y530-Y674 VanDerWaalsContact CZ-CB 3.46Å; Y530-Y674 PolarHBondContact N-O 3.29Å; Y530-Y674 WeakPolarHBondContact OH-CB 3.01Å; Y530-V676 HydrophobicContact CD1-CG2 4.14Å; Y530-V676 HydrophobicContact CE1-CG2 4.37Å
531M93Very high90.7Very high15 Ų1546.7 Ų46.77%0.07423%0.225CC..EExtended strand (participates in β ladder)trans-149.6135.9177.2178.1173.1-85.100109.1F440 Y459 T649 G673 Y674 E705 W709F440-M531 HydrophobicContact CE1-SD 4.26Å; F440-M531 HydrophobicContact CZ-SD 4.46Å; Y459-M531 HydrophobicContact CD2-CE 4.4Å; Y459-M531 HydrophobicContact CE1-CE 4.32Å; Y459-M531 HydrophobicContact CE2-CE 3.79Å; M531-T649 HydrophobicContact CG-CG2 4.31Å; M531-T649 HydrophobicContact SD-CG2 3.65Å; M531-G673 CarbonylContact O-C 3.57Å; M531-G673 VanDerWaalsContact O-CA 3.28Å; M531-G673 WeakPolarHBondContact O-CA 3.43Å; M531-Y674 HydrophobicContact CB-CD2 4.13Å; M531-Y674 HydrophobicContact CG-CD2 4.2Å; M531-Y674 PolarHBondContact O-N 2.76Å; M531-Y674 HydrophobicContact SD-CD2 4.14Å; M531-Y674 HydrophobicContact SD-CE2 4.23Å; M531-E705 HydrophobicContact CE-CB 4.12Å; M531-E705 HydrophobicContact CE-CG 3.85Å; M531-W709 HydrophobicContact CE-CH2 4.15Å; M531-W709 HydrophobicContact CE-CZ3 4.09Å; M531-W709 HydrophobicContact SD-CH2 4.24Å
532T92Very high90Very high101 Ų10146 Ų4662%0.6223%0.229SC*.EExtended strand (participates in β ladder)trans-99.3138.4175.554.80000109.7V672T532-V672 WeakPolarHBondContact CA-O 3.36Å
533T91.1Very high89Confident1 Ų142.2 Ų42.21%0.00622%0.222CC..EExtended strand (participates in β ladder)trans-145.7-174.6179.8-168.10000109.3T649 V672 Y674T533-T649 PolarHBondContact OG1-N 2.8Å; T533-T649 PolarHBondContact OG1-OG1 3.15Å; T533-T649 VanDerWaalsContact OG1-OG1 3.08Å; T533-V672 HydrophobicContact CG2-CG2 3.59Å; T533-V672 PolarHBondContact N-O 3.17Å; T533-V672 PolarHBondContact O-N 3.41Å; T533-Y674 HydrophobicContact CG2-CE1 3.96Å; T533-Y674 HydrophobicContact CG2-CE2 4.02Å
534G89Confident87.6Confident0 Ų046.4 Ų46.40%025%0.253CS..  trans-174.2170.1177.600000110.9S536 E647 A648 N670G534-S536 PolarHBondContact O-N 2.83Å; G534-E647 CarbonylContact O-C 3.55Å; G534-E647 WeakPolarHBondContact O-CA 3.36Å; G534-A648 WeakPolarHBondContact O-CB 3.34Å; G534-A648 PolarHBondContact O-N 2.99Å; G534-N670 WeakPolarHBondContact CA-O 3.38Å; G534-N670 VanDerWaalsContact CA-OD1 3.29Å; G534-N670 WeakPolarHBondContact CA-OD1 3.48Å
535I87.4Confident85.8Confident66 Ų6654.2 Ų54.234%0.33829%0.29SS..EExtended strand (participates in β ladder)trans-69130.7175-57.9167.9000108.3L645 H668 L669 N670I535-L645 HydrophobicContact CG2-CB 4.2Å; I535-L645 HydrophobicContact CG2-CD2 4.49Å; I535-H668 WeakPolarHBondContact O-CA 3.21Å; I535-L669 HydrophobicContact CB-CB 4.25Å; I535-L669 HydrophobicContact CB-CD1 4.41Å; I535-L669 HydrophobicContact CG2-CD1 3.89Å; I535-L669 PolarHBondContact O-N 2.9Å; I535-N670 PolarHBondContact N-OD1 3.23Å
536S90.7Very high83.7Confident0 Ų060.3 Ų60.30%032%0.318CS..EExtended strand (participates in β ladder)trans-131162.8179.972.50000110.9G534 L645 L646 A648 N651G534-S536 PolarHBondContact O-N 2.83Å; S536-L645 WeakPolarHBondContact O-CA 3.4Å; S536-L646 PolarHBondContact N-O 3.36Å; S536-L646 PolarHBondContact O-N 2.86Å; S536-L646 VanDerWaalsContact O-O 3.13Å; S536-L646 PolarHBondContact OG-O 3.02Å; S536-A648 WeakPolarHBondContact OG-CA 3.41Å; S536-N651 VanDerWaalsContact OG-CB 3.31Å; S536-N651 WeakPolarHBondContact OG-CB 3.45Å; S536-N651 PolarHBondContact OG-ND2 3.05Å
537I87.9Confident81.6Confident53 Ų5367.7 Ų67.727%0.27235%0.352SS..EExtended strand (participates in β ladder)trans-105.8126-178.9-46.9-178.4000109I539 A643 L645 N651 K664 V665I537-I539 HydrophobicContact CG2-CG2 4.39Å; I537-A643 HydrophobicContact CG2-CB 4.06Å; I537-L645 HydrophobicContact CB-CD2 4.37Å; I537-L645 HydrophobicContact CD1-CD2 4.46Å; I537-L645 HydrophobicContact CG1-CD2 3.71Å; I537-L645 HydrophobicContact CG2-CD2 4.48Å; I537-N651 PolarHBondContact O-ND2 2.86Å; I537-N651 VanDerWaalsContact O-ND2 3.11Å; I537-K664 WeakPolarHBondContact O-CA 3.32Å; I537-V665 PolarHBondContact O-N 3.25Å
538M90.9Very high79.5Confident0 Ų070.8 Ų70.80%037%0.374CS..EExtended strand (participates in β ladder)trans-105.1131.6170.9177.5-174.9-73.900110.3I632 V635 A643 F644 L646 N651 T654 T662M538-I632 HydrophobicContact CE-CG1 4.3Å; M538-I632 HydrophobicContact SD-CG1 4.01Å; M538-I632 HydrophobicContact SD-CG2 4.49Å; M538-V635 HydrophobicContact CG-CG1 4.26Å; M538-A643 WeakPolarHBondContact O-CA 3.27Å; M538-F644 PolarHBondContact N-O 3Å; M538-F644 PolarHBondContact O-N 3.01Å; M538-L646 HydrophobicContact CB-CD2 3.54Å; M538-L646 HydrophobicContact CE-CD1 3.83Å; M538-L646 HydrophobicContact CE-CD2 4.26Å; M538-N651 HydrophobicContact CE-CB 4.3Å; M538-N651 VanDerWaalsContact CE-OD1 3.31Å; M538-N651 WeakPolarHBondContact CE-OD1 3.42Å; M538-T654 HydrophobicContact CE-CG2 3.8Å; M538-T662 HydrophobicContact CG-CG2 4.23Å; M538-T662 HydrophobicContact SD-CG2 3.87Å
539I89.6Confident77.8Confident52 Ų5268.6 Ų68.627%0.26737%0.373SS..EExtended strand (participates in β ladder)trans-126.7168.4170.467.5168.8000110I537 V635 A643 T662 M663 V665I537-I539 HydrophobicContact CG2-CG2 4.39Å; I539-V635 VanDerWaalsContact C-CG1 3.44Å; I539-A643 HydrophobicContact CG2-CB 3.87Å; I539-T662 CarbonylContact O-C 3.6Å; I539-T662 WeakPolarHBondContact O-CA 3.4Å; I539-M663 HydrophobicContact CD1-CG 3.97Å; I539-M663 HydrophobicContact CD1-SD 4.05Å; I539-M663 HydrophobicContact CG1-CG 3.5Å; I539-M663 VanDerWaalsContact CG1-CG 3.5Å; I539-M663 HydrophobicContact CG1-SD 4.26Å; I539-M663 PolarHBondContact N-O 3.33Å; I539-M663 PolarHBondContact O-N 3.23Å; I539-V665 HydrophobicContact CD1-CG2 3.43Å; I539-V665 VanDerWaalsContact CD1-CG2 3.43Å; I539-V665 HydrophobicContact CG1-CG2 3.58Å; I539-V665 HydrophobicContact CG2-CG2 4.26Å
540K88.9Confident76Confident49 Ų4972.2 Ų72.221%0.21339%0.387CS..EExtended strand (participates in β ladder)trans-71.9133.3166.8-167.5174.7-175.81610109.6V635 R636 D661K540-V635 HydrophobicContact CB-CG1 4.37Å; K540-R636 PolarHBondContact NZ-O 2.8Å; K540-D661 CarbonylContact C-O 3.59Å; K540-D661 WeakPolarHBondContact CA-O 3.49Å; K540-D661 WeakPolarHBondContact CG-O 3.48Å
541K86.7Confident74.7Confident113 Ų11377.4 Ų77.449%0.49141%0.41SS..PPolyproline II helixtrans-61.5129172.5-169.9176.3-178179.60108.7D543 D661 M663K541-D543 PolarHBondContact O-N 2.78Å; K541-D661 PolarHBondContact N-O 3.45Å; K541-M663 HydrophobicContact CB-CB 4.49Å; K541-M663 HydrophobicContact CB-CG 4.39Å; K541-M663 HydrophobicContact CB-SD 4.48Å; K541-M663 HydrophobicContact CG-SD 4.34Å
542P76.2Confident73.5Confident87 Ų8777.5 Ų77.557%0.56541%0.412SS*.PPolyproline II helixtrans-65.5129.6178.925.4-31.8000109.5S544P542-S544 PolarHBondContact O-N 2.87Å
543D67.6Low72.4Confident98 Ų9875.4 Ų75.452%0.52440%0.395SS..PPolyproline II helixtrans-64.6118.8173.5-67-40.3000107.8K541 Q545 Q546K541-D543 PolarHBondContact O-N 2.78Å; D543-Q545 PolarHBondContact O-N 3.31Å; D543-Q546 PolarHBondContact O-N 3.15Å
544S58.2Low71.6Confident122 Ų12278.6 Ų78.685%0.85341%0.411SS*.G310 helixtrans-58.6-13.8179.140.60000113.2P542P542-S544 PolarHBondContact O-N 2.87Å
545Q51.3Low70.9Confident163 Ų16385.9 Ų85.976%0.76244%0.444SS*.G310 helixtrans-82.1-2173.5-70.9-173.5-26.800114.9D543 Q547 S548D543-Q545 PolarHBondContact O-N 3.31Å; Q545-Q547 PolarHBondContact O-N 3.25Å; Q545-S548 WeakPolarHBondContact O-CB 3.45Å; Q545-S548 PolarHBondContact O-N 3.44Å; Q545-S548 VanDerWaalsContact O-N 3.08Å; Q545-S548 PolarHBondContact O-OG 3.49Å
546Q47.8Very low70.6Confident143 Ų14387.6 Ų87.667%0.66846%0.46SS*.G310 helixtrans-75.3-1.2179.4-97.4176.6-21.700115.5D543 S548D543-Q546 PolarHBondContact O-N 3.15Å; Q546-S548 PolarHBondContact O-N 3.44Å
547Q49.5Very low70.1Confident171 Ų17191.3 Ų91.380%0.79948%0.479SS*.G310 helixtrans-77.33162.7-76.4-178.8-9.700113.3Q545 S549Q545-Q547 PolarHBondContact O-N 3.25Å; Q547-S549 PolarHBondContact O-N 2.86Å; Q547-S549 VanDerWaalsContact O-N 3.11Å
548S50.6Low69.8Low74 Ų7491.2 Ų91.252%0.51748%0.484SS..  trans-78.113.8-176.962.80000115.8Q545 Q546 M550 K740Q545-S548 WeakPolarHBondContact O-CB 3.45Å; Q545-S548 PolarHBondContact O-N 3.44Å; Q545-S548 VanDerWaalsContact O-N 3.08Å; Q545-S548 PolarHBondContact O-OG 3.49Å; Q546-S548 PolarHBondContact O-N 3.44Å; S548-M550 PolarHBondContact O-N 2.77Å; S548-K740 VanDerWaalsContact CA-NZ 3.34Å; S548-K740 PolarHBondContact O-NZ 3.35Å
549S55.9Low69.2Low70 Ų7096.4 Ų96.449%0.4952%0.515SS..  trans-49.1129173.9-178.30000110.9Q547 F551 S552Q547-S549 PolarHBondContact O-N 2.86Å; Q547-S549 VanDerWaalsContact O-N 3.11Å; S549-F551 PolarHBondContact O-N 3.38Å; S549-S552 WeakPolarHBondContact O-CB 3.47Å; S549-S552 PolarHBondContact O-N 2.56Å
550M58.3Low68.9Low130 Ų13099.3 Ų99.364%0.6453%0.528SS*.THydrogen-bonded Turntrans-52.6-25.1178.2-90.5-178.217000112.5S548 F553S548-M550 PolarHBondContact O-N 2.77Å; M550-F553 VanDerWaalsContact O-CD1 3.25Å; M550-F553 WeakPolarHBondContact O-CD1 3.21Å; M550-F553 VanDerWaalsContact O-CE1 3.32Å; M550-F553 WeakPolarHBondContact O-CE1 3.3Å
551F66.5Low68.8Low118 Ų11899.5 Ų99.552%0.51853%0.533SS..THydrogen-bonded Turntrans-99.313.4-178.1-55.4-74.6000114.2S549 F553 M554S549-F551 PolarHBondContact O-N 3.38Å; F551-F553 HydrophobicContact CD1-CE1 4.15Å; F551-F553 HydrophobicContact CD1-CZ 4.39Å; F551-F553 PolarHBondContact O-N 2.91Å; F551-F553 VanDerWaalsContact O-N 3.1Å; F551-M554 HydrophobicContact CD1-SD 4.24Å; F551-M554 WeakPolarHBondContact O-CB 3.43Å; F551-M554 PolarHBondContact O-N 2.67Å
552S67.3Low68.6Low17 Ų1798.4 Ų98.412%0.11953%0.526CS..G310 helixtrans-53.8-32.8176.3179.90000111.5S549 M554 Q555 Y737S549-S552 WeakPolarHBondContact O-CB 3.47Å; S549-S552 PolarHBondContact O-N 2.56Å; S552-M554 PolarHBondContact O-N 3.14Å; S552-M554 VanDerWaalsContact O-N 3.1Å; S552-Q555 VanDerWaalsContact O-CB 3.26Å; S552-Q555 WeakPolarHBondContact O-CB 3.4Å; S552-Q555 WeakPolarHBondContact O-CG 3.27Å; S552-Q555 PolarHBondContact O-N 3.12Å; S552-Y737 PolarHBondContact O-OH 2.87Å; S552-Y737 WeakPolarHBondContact OG-CE2 3.28Å; S552-Y737 PolarHBondContact OG-OH 3.12Å
553F70.1Confident69Low56 Ų5698.5 Ų98.525%0.24652%0.52CS..G310 helixtrans-61.5-17175.876.9-90.7000115.4M550 F551 P556 Y737 V741 L744M550-F553 VanDerWaalsContact O-CD1 3.25Å; M550-F553 WeakPolarHBondContact O-CD1 3.21Å; M550-F553 VanDerWaalsContact O-CE1 3.32Å; M550-F553 WeakPolarHBondContact O-CE1 3.3Å; F551-F553 HydrophobicContact CD1-CE1 4.15Å; F551-F553 HydrophobicContact CD1-CZ 4.39Å; F551-F553 PolarHBondContact O-N 2.91Å; F551-F553 VanDerWaalsContact O-N 3.1Å; F553-P556 WeakPolarHBondContact O-CD 3.32Å; F553-Y737 HydrophobicContact CB-CD1 4.47Å; F553-Y737 HydrophobicContact CB-CE1 3.96Å; F553-V741 HydrophobicContact CB-CG2 4.37Å; F553-L744 HydrophobicContact CE1-CD2 4.06Å; F553-L744 HydrophobicContact CZ-CD2 3.79Å
554M73.9Confident70.1Confident69 Ų69101.6 Ų101.634%0.3453%0.525SS..G310 helixtrans-84.1-12.8175.5-69.5-171.1157.400113.1F551 S552 L557 W562F551-M554 HydrophobicContact CD1-SD 4.24Å; F551-M554 WeakPolarHBondContact O-CB 3.43Å; F551-M554 PolarHBondContact O-N 2.67Å; S552-M554 PolarHBondContact O-N 3.14Å; S552-M554 VanDerWaalsContact O-N 3.1Å; M554-L557 PolarHBondContact O-N 2.84Å; M554-W562 HydrophobicContact CB-CZ2 3.97Å; M554-W562 HydrophobicContact CE-CH2 3.85Å; M554-W562 HydrophobicContact CE-CZ2 4.12Å; M554-W562 HydrophobicContact CE-CZ3 4.13Å; M554-W562 HydrophobicContact CG-CH2 4.28Å; M554-W562 HydrophobicContact CG-CZ2 3.65Å; M554-W562 PolarHBondContact O-NE1 2.97Å; M554-W562 VanDerWaalsContact O-NE1 3.16Å; M554-W562 HydrophobicContact SD-CZ2 4.23Å
555Q74.6Confident71.4Confident152 Ų15299.8 Ų99.871%0.7151%0.505SS*.THydrogen-bonded Turntrans-62.3-23.4179.6-68.3-168.9-51.200116.6S552 L557S552-Q555 VanDerWaalsContact O-CB 3.26Å; S552-Q555 WeakPolarHBondContact O-CB 3.4Å; S552-Q555 WeakPolarHBondContact O-CG 3.27Å; S552-Q555 PolarHBondContact O-N 3.12Å; Q555-L557 PolarHBondContact O-N 2.83Å
556P80.5Confident73Confident102 Ų10296 Ų9666%0.66249%0.49SS*.THydrogen-bonded Turntrans-63.8-21.8177-23.934.7000114.6F553F553-P556 WeakPolarHBondContact O-CD 3.32Å
557L79.7Confident74.9Confident79 Ų7995.1 Ų95.141%0.41448%0.484SS..SBendtrans-113.7137.7177.6-79.3128000110.3M554 Q555 V561M554-L557 PolarHBondContact O-N 2.84Å; Q555-L557 PolarHBondContact O-N 2.83Å; L557-V561 HydrophobicContact CB-CB 4.47Å; L557-V561 HydrophobicContact CD2-CB 3.75Å; L557-V561 HydrophobicContact CD2-CG1 3.31Å; L557-V561 HydrophobicContact CD2-CG2 4.23Å
558S81.5Confident76.6Confident51 Ų5189.4 Ų89.436%0.35747%0.466SS..  trans-66.9159178.176.40000111.3E560 V561 W562S558-E560 WeakPolarHBondContact CB-OE2 3.38Å; S558-E560 PolarHBondContact O-N 2.86Å; S558-E560 PolarHBondContact OG-N 3.04Å; S558-E560 PolarHBondContact OG-OE2 3.03Å; S558-V561 PolarHBondContact O-N 2.89Å; S558-V561 VanDerWaalsContact O-N 3.07Å; S558-V561 PolarHBondContact OG-N 3.35Å; S558-W562 PolarHBondContact O-N 3.33Å; S558-W562 VanDerWaalsContact O-N 3.15Å
559T78Confident78.2Confident109 Ų10992 Ų9267%0.66947%0.465SS*.Hα-helixtrans-58.4-30.5174.240.80000112.2V561 W562 M563T559-V561 PolarHBondContact O-N 2.87Å; T559-W562 PolarHBondContact O-N 3.03Å; T559-M563 VanDerWaalsContact O-CG 3.26Å; T559-M563 WeakPolarHBondContact O-CG 3.48Å; T559-M563 PolarHBondContact O-N 3Å
560E84.3Confident79.6Confident113 Ų11392.6 Ų92.653%0.52846%0.462SS..Hα-helixtrans-63.9-41.4175.4-53.999.6-165.100111.7S558 M563 Y564S558-E560 WeakPolarHBondContact CB-OE2 3.38Å; S558-E560 PolarHBondContact O-N 2.86Å; S558-E560 PolarHBondContact OG-N 3.04Å; S558-E560 PolarHBondContact OG-OE2 3.03Å; E560-M563 WeakPolarHBondContact O-CB 3.34Å; E560-M563 PolarHBondContact O-N 3.37Å; E560-Y564 HydrophobicContact CB-CE2 4.25Å; E560-Y564 VanDerWaalsContact O-CD2 3.22Å; E560-Y564 WeakPolarHBondContact O-CD2 3.2Å; E560-Y564 PolarHBondContact O-N 2.76Å
561V85.5Confident80.9Confident52 Ų5288 Ų8832%0.31545%0.448SS..Hα-helixtrans-68.3-39178.6-171.90000111.3L557 S558 T559 M563 Y564 I565L557-V561 HydrophobicContact CB-CB 4.47Å; L557-V561 HydrophobicContact CD2-CB 3.75Å; L557-V561 HydrophobicContact CD2-CG1 3.31Å; L557-V561 HydrophobicContact CD2-CG2 4.23Å; S558-V561 PolarHBondContact O-N 2.89Å; S558-V561 VanDerWaalsContact O-N 3.07Å; S558-V561 PolarHBondContact OG-N 3.35Å; T559-V561 PolarHBondContact O-N 2.87Å; V561-M563 VanDerWaalsContact C-N 3.29Å; V561-M563 PolarHBondContact O-N 3.43Å; V561-Y564 PolarHBondContact O-N 3.43Å; V561-I565 HydrophobicContact CG1-CD1 4.22Å; V561-I565 WeakPolarHBondContact O-CG1 3.41Å; V561-I565 PolarHBondContact O-N 3.05Å
562W83.9Confident81.7Confident90 Ų9087.3 Ų87.334%0.34145%0.449SS..Hα-helixtrans-61-37.4171.4-76.4109.7000112.4M554 S558 T559 I565 L566M554-W562 HydrophobicContact CB-CZ2 3.97Å; M554-W562 HydrophobicContact CE-CH2 3.85Å; M554-W562 HydrophobicContact CE-CZ2 4.12Å; M554-W562 HydrophobicContact CE-CZ3 4.13Å; M554-W562 HydrophobicContact CG-CH2 4.28Å; M554-W562 HydrophobicContact CG-CZ2 3.65Å; M554-W562 PolarHBondContact O-NE1 2.97Å; M554-W562 VanDerWaalsContact O-NE1 3.16Å; M554-W562 HydrophobicContact SD-CZ2 4.23Å; S558-W562 PolarHBondContact O-N 3.33Å; S558-W562 VanDerWaalsContact O-N 3.15Å; T559-W562 PolarHBondContact O-N 3.03Å; W562-I565 HydrophobicContact CE3-CD1 4.27Å; W562-I565 HydrophobicContact CZ3-CD1 4.5Å; W562-I565 PolarHBondContact O-N 2.95Å; W562-L566 WeakPolarHBondContact O-CB 3.31Å; W562-L566 PolarHBondContact O-N 3.39Å
563M84.3Confident82.3Confident89 Ų8987.8 Ų87.844%0.43845%0.452SS..Hα-helixtrans-65.4-40.8172.9-70.3-65.2-67.700112.1T559 E560 V561 L566 F567T559-M563 VanDerWaalsContact O-CG 3.26Å; T559-M563 WeakPolarHBondContact O-CG 3.48Å; T559-M563 PolarHBondContact O-N 3Å; E560-M563 WeakPolarHBondContact O-CB 3.34Å; E560-M563 PolarHBondContact O-N 3.37Å; V561-M563 VanDerWaalsContact C-N 3.29Å; V561-M563 PolarHBondContact O-N 3.43Å; M563-L566 WeakPolarHBondContact O-CB 3.48Å; M563-L566 PolarHBondContact O-N 3.34Å; M563-L566 HydrophobicContact SD-CD2 4.43Å; M563-F567 HydrophobicContact CB-CE2 4.37Å; M563-F567 HydrophobicContact CE-CE2 3.83Å; M563-F567 HydrophobicContact CE-CZ 3.74Å; M563-F567 WeakPolarHBondContact O-CD2 3.39Å; M563-F567 WeakPolarHBondContact O-CG 3.47Å; M563-F567 PolarHBondContact O-N 2.83Å
564Y89.6Confident82.8Confident163 Ų16388.6 Ų88.664%0.63946%0.461SS*.Hα-helixtrans-63.5-40.6174.1-63.8-43.2000112.3E560 V561 L566 F567 A568E560-Y564 HydrophobicContact CB-CE2 4.25Å; E560-Y564 VanDerWaalsContact O-CD2 3.22Å; E560-Y564 WeakPolarHBondContact O-CD2 3.2Å; E560-Y564 PolarHBondContact O-N 2.76Å; V561-Y564 PolarHBondContact O-N 3.43Å; Y564-L566 VanDerWaalsContact C-N 3.34Å; Y564-F567 PolarHBondContact O-N 2.75Å; Y564-A568 VanDerWaalsContact O-CB 3.24Å; Y564-A568 WeakPolarHBondContact O-CB 3.3Å; Y564-A568 PolarHBondContact O-N 2.95Å
565I85.9Confident83.2Confident84 Ų8489.5 Ų89.543%0.43147%0.471SS..Hα-helixtrans-62.6-41.4174-67.1167.6000110.6V561 W562 A568 Y569V561-I565 HydrophobicContact CG1-CD1 4.22Å; V561-I565 WeakPolarHBondContact O-CG1 3.41Å; V561-I565 PolarHBondContact O-N 3.05Å; W562-I565 HydrophobicContact CE3-CD1 4.27Å; W562-I565 HydrophobicContact CZ3-CD1 4.5Å; W562-I565 PolarHBondContact O-N 2.95Å; I565-A568 PolarHBondContact O-N 3.47Å; I565-Y569 WeakPolarHBondContact O-CB 3.44Å; I565-Y569 PolarHBondContact O-N 3.22Å
566L84.6Confident83.1Confident85 Ų8587 Ų8745%0.44546%0.461SS..Hα-helixtrans-63.6-47.7176.2-177.173.1000112W562 M563 Y564 Y569 I570W562-L566 WeakPolarHBondContact O-CB 3.31Å; W562-L566 PolarHBondContact O-N 3.39Å; M563-L566 WeakPolarHBondContact O-CB 3.48Å; M563-L566 PolarHBondContact O-N 3.34Å; M563-L566 HydrophobicContact SD-CD2 4.43Å; Y564-L566 VanDerWaalsContact C-N 3.34Å; L566-Y569 WeakPolarHBondContact O-CB 3.46Å; L566-Y569 PolarHBondContact O-N 3.17Å; L566-I570 HydrophobicContact CG-CD1 4.23Å; L566-I570 WeakPolarHBondContact O-CG1 3.41Å; L566-I570 PolarHBondContact O-N 2.87Å
567F88.5Confident82.8Confident123 Ų12386.5 Ų86.554%0.53945%0.449SS..Hα-helixtrans-66.1-38.1178.1-70.1-49.3000112.1M563 Y564 I570 G571M563-F567 HydrophobicContact CB-CE2 4.37Å; M563-F567 HydrophobicContact CE-CE2 3.83Å; M563-F567 HydrophobicContact CE-CZ 3.74Å; M563-F567 WeakPolarHBondContact O-CD2 3.39Å; M563-F567 WeakPolarHBondContact O-CG 3.47Å; M563-F567 PolarHBondContact O-N 2.83Å; Y564-F567 PolarHBondContact O-N 2.75Å; F567-I570 PolarHBondContact O-N 2.9Å; F567-G571 PolarHBondContact O-N 2.78Å
568A86.1Confident82.7Confident51 Ų5187.5 Ų87.542%0.42145%0.453SS..Hα-helixtrans-63.8-40.5172.900000111.5Y564 I565 G571 I572Y564-A568 VanDerWaalsContact O-CB 3.24Å; Y564-A568 WeakPolarHBondContact O-CB 3.3Å; Y564-A568 PolarHBondContact O-N 2.95Å; I565-A568 PolarHBondContact O-N 3.47Å; A568-G571 PolarHBondContact O-N 2.83Å; A568-I572 WeakPolarHBondContact O-CB 3.37Å; A568-I572 VanDerWaalsContact O-CG1 3.26Å; A568-I572 WeakPolarHBondContact O-CG1 3.42Å; A568-I572 PolarHBondContact O-N 3.23Å
569Y83Confident82.4Confident130 Ų13088.8 Ų88.851%0.5146%0.458SS..Hα-helixtrans-62.1-46.2174.2171.3-101000112.1I565 L566 S573I565-Y569 WeakPolarHBondContact O-CB 3.44Å; I565-Y569 PolarHBondContact O-N 3.22Å; L566-Y569 WeakPolarHBondContact O-CB 3.46Å; L566-Y569 PolarHBondContact O-N 3.17Å; Y569-S573 WeakPolarHBondContact O-CB 3.36Å; Y569-S573 PolarHBondContact O-N 3.18Å; Y569-S573 PolarHBondContact O-OG 3.36Å
570I85.1Confident81.8Confident81 Ų8184.3 Ų84.342%0.41543%0.431SS..Hα-helixtrans-63.2-44.7175.3-65.3167.5000110.1L566 F567 S573 V574L566-I570 HydrophobicContact CG-CD1 4.23Å; L566-I570 WeakPolarHBondContact O-CG1 3.41Å; L566-I570 PolarHBondContact O-N 2.87Å; F567-I570 PolarHBondContact O-N 2.9Å; I570-S573 CarbonylContact O-C 3.59Å; I570-S573 PolarHBondContact O-N 2.92Å; I570-V574 HydrophobicContact CG2-CG2 4.26Å; I570-V574 WeakPolarHBondContact O-CB 3.35Å; I570-V574 VanDerWaalsContact O-CG2 3.32Å; I570-V574 WeakPolarHBondContact O-CG2 3.41Å; I570-V574 PolarHBondContact O-N 3.07Å
571G85.5Confident81.1Confident34 Ų3483 Ų8335%0.35142%0.422SS..Hα-helixtrans-60.2-49.3178.500000112.4F567 A568 S573 V574 V575F567-G571 PolarHBondContact O-N 2.78Å; A568-G571 PolarHBondContact O-N 2.83Å; G571-S573 VanDerWaalsContact C-N 3.31Å; G571-S573 PolarHBondContact O-N 2.74Å; G571-V574 PolarHBondContact O-N 2.92Å; G571-V575 WeakPolarHBondContact O-CB 2.88Å; G571-V575 VanDerWaalsContact O-CG2 3.25Å; G571-V575 WeakPolarHBondContact O-CG2 3.42Å; G571-V575 PolarHBondContact O-N 2.87Å
572I84.2Confident80.2Confident104 Ų10488.7 Ų88.753%0.53344%0.442SS..Hα-helixtrans-63.2-38.1174.7-68166.6000110.5A568 V575 L576A568-I572 WeakPolarHBondContact O-CB 3.37Å; A568-I572 VanDerWaalsContact O-CG1 3.26Å; A568-I572 WeakPolarHBondContact O-CG1 3.42Å; A568-I572 PolarHBondContact O-N 3.23Å; I572-V575 CarbonylContact O-C 3.57Å; I572-V575 PolarHBondContact O-N 2.82Å; I572-L576 HydrophobicContact CG2-CD1 3.82Å; I572-L576 HydrophobicContact CG2-CG 4.21Å; I572-L576 VanDerWaalsContact O-CB 3.27Å; I572-L576 WeakPolarHBondContact O-CB 3.46Å; I572-L576 VanDerWaalsContact O-CG 3.29Å; I572-L576 WeakPolarHBondContact O-CG 3.38Å; I572-L576 PolarHBondContact O-N 3.17Å
573S79Confident78.8Confident26 Ų2686.5 Ų86.518%0.18244%0.441CS..Hα-helixtrans-67.8-38.8177.2-610000112.4Y569 I570 G571 L576 F577Y569-S573 WeakPolarHBondContact O-CB 3.36Å; Y569-S573 PolarHBondContact O-N 3.18Å; Y569-S573 PolarHBondContact O-OG 3.36Å; I570-S573 CarbonylContact O-C 3.59Å; I570-S573 PolarHBondContact O-N 2.92Å; G571-S573 VanDerWaalsContact C-N 3.31Å; G571-S573 PolarHBondContact O-N 2.74Å; S573-L576 CarbonylContact O-C 3.58Å; S573-L576 PolarHBondContact O-N 3.11Å; S573-F577 WeakPolarHBondContact O-CA 3.42Å; S573-F577 WeakPolarHBondContact O-CB 2.96Å; S573-F577 PolarHBondContact O-N 2.97Å
574V81.9Confident77.4Confident74 Ų7486.8 Ų86.845%0.44846%0.457SS..Hα-helixtrans-69.4-40.1174171.70000110.3I570 G571 F577 M578I570-V574 HydrophobicContact CG2-CG2 4.26Å; I570-V574 WeakPolarHBondContact O-CB 3.35Å; I570-V574 VanDerWaalsContact O-CG2 3.32Å; I570-V574 WeakPolarHBondContact O-CG2 3.41Å; I570-V574 PolarHBondContact O-N 3.07Å; G571-V574 PolarHBondContact O-N 2.92Å; V574-F577 PolarHBondContact O-N 2.94Å; V574-M578 HydrophobicContact CG1-CG 4.36Å; V574-M578 VanDerWaalsContact O-CB 3.29Å; V574-M578 WeakPolarHBondContact O-CB 3.18Å; V574-M578 WeakPolarHBondContact O-CG 3.33Å; V574-M578 PolarHBondContact O-N 3.18Å
575V81.2Confident75.7Confident88 Ų8883.6 Ų83.653%0.53346%0.459SS..Hα-helixtrans-63.9-43.5173.6170.60000110.4G571 I572 M578 V579G571-V575 WeakPolarHBondContact O-CB 2.88Å; G571-V575 VanDerWaalsContact O-CG2 3.25Å; G571-V575 WeakPolarHBondContact O-CG2 3.42Å; G571-V575 PolarHBondContact O-N 2.87Å; I572-V575 CarbonylContact O-C 3.57Å; I572-V575 PolarHBondContact O-N 2.82Å; V575-M578 PolarHBondContact O-N 3.4Å; V575-V579 HydrophobicContact CG1-CG2 4.15Å; V575-V579 WeakPolarHBondContact O-CB 3.26Å; V575-V579 WeakPolarHBondContact O-CG2 3.5Å; V575-V579 PolarHBondContact O-N 3.49Å
576L73.7Confident74.2Confident99 Ų9984.8 Ų84.852%0.51846%0.463SS..Hα-helixtrans-68.4-33.4174.3-76.1172.8000111.8I572 S573 S580I572-L576 HydrophobicContact CG2-CD1 3.82Å; I572-L576 HydrophobicContact CG2-CG 4.21Å; I572-L576 VanDerWaalsContact O-CB 3.27Å; I572-L576 WeakPolarHBondContact O-CB 3.46Å; I572-L576 VanDerWaalsContact O-CG 3.29Å; I572-L576 WeakPolarHBondContact O-CG 3.38Å; I572-L576 PolarHBondContact O-N 3.17Å; S573-L576 CarbonylContact O-C 3.58Å; S573-L576 PolarHBondContact O-N 3.11Å; L576-S580 WeakPolarHBondContact O-CA 3.31Å; L576-S580 WeakPolarHBondContact O-CB 3.33Å; L576-S580 PolarHBondContact O-N 3Å; L576-S580 PolarHBondContact O-OG 3.29Å
577F74.1Confident72.8Confident92 Ų9285.6 Ų85.640%0.40446%0.46SS..Hα-helixtrans-66.7-44.9173.4178.9-93.4000110.7S573 V574 S580 R581 N601S573-F577 WeakPolarHBondContact O-CA 3.42Å; S573-F577 WeakPolarHBondContact O-CB 2.96Å; S573-F577 PolarHBondContact O-N 2.97Å; V574-F577 PolarHBondContact O-N 2.94Å; F577-S580 VanDerWaalsContact CA-OG 3.23Å; F577-S580 WeakPolarHBondContact CA-OG 3.42Å; F577-S580 PolarHBondContact O-N 2.71Å; F577-S580 PolarHBondContact O-OG 3.21Å; F577-R581 HydrophobicContact CZ-CG 4.5Å; F577-R581 WeakPolarHBondContact O-CB 3.44Å; F577-R581 PolarHBondContact O-N 2.65Å; F577-N601 WeakPolarHBondContact CD2-ND2 3.46Å; F577-N601 WeakPolarHBondContact CE2-ND2 3.49Å
578M76.5Confident71Confident100 Ų10087.2 Ų87.249%0.49347%0.466SS..Hα-helixtrans-64-51.4174.7-75.3-88.2-159.500110.4V574 V575 S580 R581 F582V574-M578 HydrophobicContact CG1-CG 4.36Å; V574-M578 VanDerWaalsContact O-CB 3.29Å; V574-M578 WeakPolarHBondContact O-CB 3.18Å; V574-M578 WeakPolarHBondContact O-CG 3.33Å; V574-M578 PolarHBondContact O-N 3.18Å; V575-M578 PolarHBondContact O-N 3.4Å; M578-S580 VanDerWaalsContact C-N 3.25Å; M578-S580 PolarHBondContact O-N 3.19Å; M578-R581 PolarHBondContact O-N 3.03Å; M578-R581 VanDerWaalsContact O-N 3.13Å; M578-F582 HydrophobicContact CB-CD2 4.27Å; M578-F582 HydrophobicContact CB-CE2 4.45Å; M578-F582 WeakPolarHBondContact O-CB 3.41Å; M578-F582 WeakPolarHBondContact O-CD2 3.19Å; M578-F582 PolarHBondContact O-N 3.22Å; M578-F582 HydrophobicContact SD-CD2 4.38Å; M578-F582 HydrophobicContact SD-CE2 3.65Å
579V75.7Confident69.7Low78 Ų7890.1 Ų90.147%0.47347%0.474SS..Hα-helixtrans-61.7-34.1176.6171.60000110.3V575 S583V575-V579 HydrophobicContact CG1-CG2 4.15Å; V575-V579 WeakPolarHBondContact O-CB 3.26Å; V575-V579 WeakPolarHBondContact O-CG2 3.5Å; V575-V579 PolarHBondContact O-N 3.49Å; V579-S583 WeakPolarHBondContact O-CA 3.19Å; V579-S583 WeakPolarHBondContact O-CB 3.34Å; V579-S583 PolarHBondContact O-N 3.28Å
580S66.1Low68.3Low14 Ų1489.5 Ų89.510%0.09848%0.475CS..Hα-helixtrans-76.9-27.7175.454.20000113.8L576 F577 M578 S583 E586 W587L576-S580 WeakPolarHBondContact O-CA 3.31Å; L576-S580 WeakPolarHBondContact O-CB 3.33Å; L576-S580 PolarHBondContact O-N 3Å; L576-S580 PolarHBondContact O-OG 3.29Å; F577-S580 VanDerWaalsContact CA-OG 3.23Å; F577-S580 WeakPolarHBondContact CA-OG 3.42Å; F577-S580 PolarHBondContact O-N 2.71Å; F577-S580 PolarHBondContact O-OG 3.21Å; M578-S580 VanDerWaalsContact C-N 3.25Å; M578-S580 PolarHBondContact O-N 3.19Å; S580-S583 VanDerWaalsContact O-O 3.07Å; S580-E586 WeakPolarHBondContact O-CB 3.36Å; S580-W587 PolarHBondContact O-NE1 2.83Å
581R69.6Low66.6Low87 Ų8793.5 Ų93.533%0.32849%0.49SS..Hα-helixtrans-78.7-36.5172.6-112.451.4-174.4131.52.3113F577 M578 W587F577-R581 HydrophobicContact CZ-CG 4.5Å; F577-R581 WeakPolarHBondContact O-CB 3.44Å; F577-R581 PolarHBondContact O-N 2.65Å; M578-R581 PolarHBondContact O-N 3.03Å; M578-R581 VanDerWaalsContact O-N 3.13Å; R581-W587 HydrophobicContact CG-CZ2 3.75Å; R581-W587 PolarHBondContact O-NE1 3.12Å; R581-W587 VanDerWaalsContact O-NE1 3.1Å
582F66.4Low65.2Low171 Ų17194.9 Ų94.975%0.7549%0.492SS*.Hα-helixtrans-87-32.7177.8-71.8-61.2000113.4M578 A584M578-F582 HydrophobicContact CB-CD2 4.27Å; M578-F582 HydrophobicContact CB-CE2 4.45Å; M578-F582 WeakPolarHBondContact O-CB 3.41Å; M578-F582 WeakPolarHBondContact O-CD2 3.19Å; M578-F582 PolarHBondContact O-N 3.22Å; M578-F582 HydrophobicContact SD-CD2 4.38Å; M578-F582 HydrophobicContact SD-CE2 3.65Å; F582-A584 PolarHBondContact O-N 2.81Å
583S54.7Low64.1Low43 Ų4399.8 Ų99.830%0.30151%0.513SS..SBendtrans-76.5106.1168.9-166.80000107.5V579 S580 S585 E586V579-S583 WeakPolarHBondContact O-CA 3.19Å; V579-S583 WeakPolarHBondContact O-CB 3.34Å; V579-S583 PolarHBondContact O-N 3.28Å; S580-S583 VanDerWaalsContact O-O 3.07Å; S583-S585 PolarHBondContact O-N 2.81Å; S583-S585 PolarHBondContact OG-OG 2.81Å; S583-E586 PolarHBondContact O-N 2.86Å
584A54.2Low63.2Low95 Ų95107.8 Ų107.879%0.78554%0.544SS*.THydrogen-bonded Turntrans-53.6-11173.200000113.2F582F582-A584 PolarHBondContact O-N 2.81Å
585S53.9Low61.7Low97 Ų97109.3 Ų109.368%0.67857%0.565SS**THydrogen-bonded Turntrans-83.6-16.417969.90000116.6S583S583-S585 PolarHBondContact O-N 2.81Å; S583-S585 PolarHBondContact OG-OG 2.81Å
586E54.2Low60.6Low109 Ų109106.2 Ų106.251%0.50955%0.55SS.*SBendtrans-99.4-9.5-173.6-83.4-91.3158.500114.5S580 S583 K588S580-E586 WeakPolarHBondContact O-CB 3.36Å; S583-E586 PolarHBondContact O-N 2.86Å; E586-K588 VanDerWaalsContact C-N 3.33Å; E586-K588 PolarHBondContact O-N 3.28Å
587W56.4Low59.8Low102 Ų102108.7 Ų108.739%0.38655%0.554SS.*  trans-6696.7171.2-71.172000108.5S580 R581 I589 V599S580-W587 PolarHBondContact O-NE1 2.83Å; R581-W587 HydrophobicContact CG-CZ2 3.75Å; R581-W587 PolarHBondContact O-NE1 3.12Å; R581-W587 VanDerWaalsContact O-NE1 3.1Å; W587-I589 PolarHBondContact O-N 2.84Å; W587-V599 HydrophobicContact CD2-CG1 4.2Å; W587-V599 HydrophobicContact CE3-CB 4.19Å; W587-V599 HydrophobicContact CE3-CG1 3.22Å; W587-V599 HydrophobicContact CE3-CG2 4.22Å; W587-V599 HydrophobicContact CZ3-CB 4.43Å; W587-V599 HydrophobicContact CZ3-CG1 3.62Å
588K50.3Low59Low156 Ų156107.7 Ų107.768%0.67856%0.555SS**  trans-72.7114.9173.3-71.9-172.7-177.4176.60108.8E586 E590E586-K588 VanDerWaalsContact C-N 3.33Å; E586-K588 PolarHBondContact O-N 3.28Å; K588-E590 PolarHBondContact O-N 2.9Å
589I57.4Low58.2Low112 Ų112105.7 Ų105.757%0.57455%0.548SS*.  trans-83.590.8168.6-67.5174.8000105.3W587 Y597W587-I589 PolarHBondContact O-N 2.84Å; I589-Y597 HydrophobicContact CB-CD1 4.43Å; I589-Y597 HydrophobicContact CG2-CD1 2.96Å; I589-Y597 HydrophobicContact CG2-CE1 3.5Å; I589-Y597 VanDerWaalsContact CG2-CE1 3.5Å; I589-Y597 HydrophobicContact CG2-CG 3.56Å
590E54.2Low57.1Low117 Ų117106.4 Ų106.455%0.54756%0.557SS.*EExtended strand (participates in β ladder)trans-79.3123.2172.5-76.7-171.8165.500109.2K588 T592 Y597 V598K588-E590 PolarHBondContact O-N 2.9Å; E590-T592 PolarHBondContact O-N 2.98Å; E590-Y597 WeakPolarHBondContact O-CA 3.06Å; E590-V598 PolarHBondContact N-O 3.23Å; E590-V598 VanDerWaalsContact N-O 3.1Å; E590-V598 PolarHBondContact O-N 3.22Å
591K50.1Low56.5Low165 Ų165109.5 Ų109.572%0.71757%0.572SS**EExtended strand (participates in β ladder)trans-69114.5170-91.2-174.3173.3174.10108.7G596 Y597K591-G596 WeakPolarHBondContact CA-O 3.2Å; K591-Y597 HydrophobicContact CD-CE1 4.25Å; K591-Y597 VanDerWaalsContact CE-OH 3.3Å; K591-Y597 WeakPolarHBondContact CE-OH 3.45Å; K591-Y597 HydrophobicContact CG-CD1 3.88Å; K591-Y597 HydrophobicContact CG-CE1 3.38Å
592T55.4Low55.7Low64 Ų64112.2 Ų112.239%0.39359%0.593SS.*EExtended strand (participates in β ladder)trans-71.1143165.2-30.10000109.2E590 K594 A595 G596 V598E590-T592 PolarHBondContact O-N 2.98Å; T592-K594 PolarHBondContact O-N 2.98Å; T592-A595 PolarHBondContact O-N 3.23Å; T592-G596 PolarHBondContact N-O 3.09Å; T592-G596 VanDerWaalsContact OG1-C 3.3Å; T592-G596 PolarHBondContact OG1-O 3.17Å; T592-G596 VanDerWaalsContact OG1-O 3.1Å; T592-V598 WeakPolarHBondContact OG1-CG2 3.3Å
593E60.5Low55Low207 Ų207111.4 Ų111.497%0.96759%0.59SS**THydrogen-bonded Turntrans-54.2-18.9176.6-69.5-172148.600114
594K59.8Low55.3Low193 Ų193112.6 Ų112.684%0.83960%0.598SS**THydrogen-bonded Turntrans-106.367.6174.2-67.9-178.4177.7176.80111.9T592 G596T592-K594 PolarHBondContact O-N 2.98Å; K594-G596 PolarHBondContact O-N 3.07Å
595A52.3Low55.5Low107 Ų107113.7 Ų113.788%0.88460%0.595SS**THydrogen-bonded Turntrans41.533.4169.500000115.6T592T592-A595 PolarHBondContact O-N 3.23Å
596G57.2Low55.7Low22 Ų22112.8 Ų112.823%0.22759%0.588CS.*EExtended strand (participates in β ladder)trans-122.5156-17300000110K591 T592 K594K591-G596 WeakPolarHBondContact CA-O 3.2Å; T592-G596 PolarHBondContact N-O 3.09Å; T592-G596 VanDerWaalsContact OG1-C 3.3Å; T592-G596 PolarHBondContact OG1-O 3.17Å; T592-G596 VanDerWaalsContact OG1-O 3.1Å; K594-G596 PolarHBondContact O-N 3.07Å
597Y57.3Low55.7Low151 Ų151114 Ų11459%0.59260%0.599SS**EExtended strand (participates in β ladder)trans-119.9117175.8-70.3-65.1000107.5I589 E590 K591I589-Y597 HydrophobicContact CB-CD1 4.43Å; I589-Y597 HydrophobicContact CG2-CD1 2.96Å; I589-Y597 HydrophobicContact CG2-CE1 3.5Å; I589-Y597 VanDerWaalsContact CG2-CE1 3.5Å; I589-Y597 HydrophobicContact CG2-CG 3.56Å; E590-Y597 WeakPolarHBondContact O-CA 3.06Å; K591-Y597 HydrophobicContact CD-CE1 4.25Å; K591-Y597 VanDerWaalsContact CE-OH 3.3Å; K591-Y597 WeakPolarHBondContact CE-OH 3.45Å; K591-Y597 HydrophobicContact CG-CD1 3.88Å; K591-Y597 HydrophobicContact CG-CE1 3.38Å
598V56.9Low55.8Low71 Ų71113.6 Ų113.643%0.4361%0.61SS.*EExtended strand (participates in β ladder)trans-109.9140.1177.1-1780000108.9E590 T592E590-V598 PolarHBondContact N-O 3.23Å; E590-V598 VanDerWaalsContact N-O 3.1Å; E590-V598 PolarHBondContact O-N 3.22Å; T592-V598 WeakPolarHBondContact OG1-CG2 3.3Å
599V60.3Low56Low58 Ų58112 Ų11235%0.35261%0.608SS.*  trans-119.4116174.2-177.30000107W587W587-V599 HydrophobicContact CD2-CG1 4.2Å; W587-V599 HydrophobicContact CE3-CB 4.19Å; W587-V599 HydrophobicContact CE3-CG1 3.22Å; W587-V599 HydrophobicContact CE3-CG2 4.22Å; W587-V599 HydrophobicContact CZ3-CB 4.43Å; W587-V599 HydrophobicContact CZ3-CG1 3.62Å
600S51.6Low56Low93 Ų93116.4 Ų116.465%0.6562%0.618SS**  trans-147.8166.3177.9510000113.8
601N54.8Low55.7Low80 Ų80119.4 Ų119.443%0.42863%0.629SS.*  trans-139.1141.4-169-166.8-49.7000110.4F577F577-N601 WeakPolarHBondContact CD2-ND2 3.46Å; F577-N601 WeakPolarHBondContact CE2-ND2 3.49Å
602D51Low56.1Low144 Ų144115.9 Ų115.977%0.7762%0.622SS**  trans-90.7-1-159.6-71-29.4000118S604D602-S604 PolarHBondContact O-N 2.91Å
603F53Low56.1Low153 Ų153117.9 Ų117.967%0.67163%0.629SS**  trans-85.999.9-175.5-78.2-86.6000114.2
604S60Low55.8Low69 Ų69112.6 Ų112.648%0.48362%0.621SS.*  trans-106.2157.6-176.785.60000116D602 S606D602-S604 PolarHBondContact O-N 2.91Å; S604-S606 PolarHBondContact O-N 3.46Å; S604-S606 PolarHBondContact OG-OG 2.54Å
605V58.9Low55.9Low117 Ų117107.8 Ų107.871%0.70961%0.612SS**THydrogen-bonded Turntrans-69.9-27.4-170.8176.90000114.7N607 C608V605-N607 PolarHBondContact O-N 2.83Å; V605-C608 WeakPolarHBondContact O-CB 3.47Å; V605-C608 PolarHBondContact O-N 3.3Å
606S58.7Low56.1Low78 Ų78111.5 Ų111.555%0.54561%0.609SS.*Hα-helixtrans-63.6-30.6-176.548.90000113.1S604 C608 L609S604-S606 PolarHBondContact O-N 3.46Å; S604-S606 PolarHBondContact OG-OG 2.54Å; S606-C608 PolarHBondContact O-N 2.81Å; S606-L609 PolarHBondContact O-N 2.82Å
607N53.7Low56.3Low136 Ų136117.9 Ų117.973%0.72763%0.634SS**Hα-helixtrans-64.5-19.2175.2-80-14.7000112.6V605V605-N607 PolarHBondContact O-N 2.83Å
608C57.9Low55.8Low92 Ų92119.8 Ų119.862%0.62265%0.648SS**Hα-helixtrans-83.7-26.8177.4-63.30000114.2V605 S606V605-C608 WeakPolarHBondContact O-CB 3.47Å; V605-C608 PolarHBondContact O-N 3.3Å; S606-C608 PolarHBondContact O-N 2.81Å
609L54.8Low55.1Low123 Ų123125.4 Ų125.464%0.64467%0.67SS**Hα-helixtrans-75.4-30.7-171.4-93.7157.1000115.1S606 F611 T612S606-L609 PolarHBondContact O-N 2.82Å; L609-F611 VanDerWaalsContact C-N 3.29Å; L609-F611 PolarHBondContact O-N 3.32Å; L609-T612 PolarHBondContact O-OG1 3.04Å
610W57.3Low54.1Low205 Ų205126.1 Ų126.178%0.77769%0.689SS**Hα-helixtrans-66.3-33.8-178.7177.7-114.8000112.5T612 L613W610-T612 PolarHBondContact O-N 3Å; W610-L613 HydrophobicContact CZ3-CD2 4.4Å
611F47.9Very low53.4Low180 Ų180129 Ų12979%0.78970%0.696SS**Hα-helixtrans-65.5-24.5-175.8-139.7-87.6000113.1L609L609-F611 VanDerWaalsContact C-N 3.29Å; L609-F611 PolarHBondContact O-N 3.32Å
612T59.2Low52.5Low91 Ų91132.9 Ų132.956%0.55872%0.716SS**Hα-helixtrans-86.6-22.3-175.6360000116.1L609 W610 S615L609-T612 PolarHBondContact O-OG1 3.04Å; W610-T612 PolarHBondContact O-N 3Å; T612-S615 PolarHBondContact O-OG 2.72Å
613L55.8Low52.2Low105 Ų105130.4 Ų130.455%0.5571%0.707SS.*Hα-helixtrans-76.1-33.8-172-170.568.9000112.8W610 S615 F616W610-L613 HydrophobicContact CZ3-CD2 4.4Å; L613-S615 PolarHBondContact O-N 3.24Å; L613-F616 PolarHBondContact O-N 2.78Å
614A54.5Low51.9Low97 Ų97130.8 Ų130.880%0.80271%0.714SS**THydrogen-bonded Turntrans-63.6-26.1-177.200000113.6
615S60.4Low51.6Low92 Ų92129 Ų12964%0.64370%0.702SS**THydrogen-bonded Turntrans-77.2-17.6-179.422.50000115.2T612 L613T612-S615 PolarHBondContact O-OG 2.72Å; L613-S615 PolarHBondContact O-N 3.24Å
616F56.4Low51.6Low185 Ų185128.7 Ų128.781%0.81171%0.705SS**SBendtrans-94.8-9.8-161.7-151-94.2000116.2L613L613-F616 PolarHBondContact O-N 2.78Å
617M62.9Low52.3Low156 Ų156128.7 Ų128.777%0.76870%0.698SS**  trans-104.436.7-163.4-63.2-167.472.200118Q619M617-Q619 PolarHBondContact O-N 3.06Å
618Q46.5Very low53.7Low190 Ų190126.2 Ų126.289%0.88868%0.679SS**  trans-59.4107.3-178.5-65176.8-14.900115.7
619Q42.3Very low55Low190 Ų190127.8 Ų127.889%0.88868%0.681SS**  trans-139.5148.2176.9-68.8-156.4-17.500117M617M617-Q619 PolarHBondContact O-N 3.06Å
620G38.9Very low56.2Low73 Ų73125 Ų12575%0.75367%0.667SS**  trans-144.8154.7171.300000114.4
621I35.6Very low57.5Low154 Ų154115.2 Ų115.279%0.7963%0.63SS**  trans-150141.1-176.9-61.3179.9000113.5
622D37.6Very low59.4Low160 Ų160107.2 Ų107.286%0.85660%0.596SS**  trans-102.9133.9178-103.3-28.2000114.5
623V44.7Very low60.8Low93 Ų93108.5 Ų108.556%0.56459%0.593SS**  trans-153.4128158.4-178.80000107.4R634V623-R634 PolarHBondContact O-NH1 2.72Å
624L46Very low62Low160 Ų160107 Ų10784%0.83858%0.581SS**  trans-80.8143.1175.2-73.7119.8000111.6
625P53.4Low63.6Low33 Ų33102.4 Ų102.421%0.21454%0.542CS..  trans-75.7150.5174.631.4-33.9000112.1D630 Y642 F644P625-D630 HydrophobicContact CB-CB 4.14Å; P625-Y642 WeakPolarHBondContact CD-OH 3.21Å; P625-F644 HydrophobicContact CG-CD2 3.94Å; P625-F644 HydrophobicContact CG-CE2 3.39Å; P625-F644 HydrophobicContact CG-CZ 4.12Å
626S59.1Low65Low110 Ų110101.4 Ų101.477%0.76952%0.524SS*.SBendtrans-78.5-31.1-17721.10000115.1D630S626-D630 PolarHBondContact OG-OD2 3.03Å
627N73.1Confident66.4Low77 Ų7798.5 Ų98.541%0.41251%0.513SS..SBendtrans-146.6173.7-177.862.846.1000110.9D629 D630 G631N627-D629 PolarHBondContact O-N 2.89Å; N627-D629 PolarHBondContact OD1-N 3.25Å; N627-D629 VanDerWaalsContact OD1-N 3.12Å; N627-D630 VanDerWaalsContact CG-OD2 3.27Å; N627-D630 PolarHBondContact ND2-OD2 2.91Å; N627-D630 WeakPolarHBondContact OD1-CB 3.32Å; N627-D630 PolarHBondContact OD1-N 2.03Å; N627-D630 PolarHBondContact OD1-OD2 3.27Å; N627-G631 PolarHBondContact O-N 3.16Å
628Y83.4Confident67.3Low85 Ų8592.2 Ų92.233%0.33349%0.485SS..Hα-helixtrans-61.9-40.8-179.5-76.6-48.9000112.7G631 I632 F644 L646Y628-G631 PolarHBondContact O-N 3.34Å; Y628-I632 WeakPolarHBondContact O-CB 3.48Å; Y628-I632 WeakPolarHBondContact O-CD1 3.26Å; Y628-I632 VanDerWaalsContact O-CG1 3.23Å; Y628-I632 WeakPolarHBondContact O-CG1 3.44Å; Y628-I632 PolarHBondContact O-N 3.19Å; Y628-F644 AromaticContact CD1-CE1 3.94Å; Y628-F644 HydrophobicContact CD1-CE1 3.94Å; Y628-F644 HydrophobicContact CD1-CZ 4.05Å; Y628-L646 HydrophobicContact CD1-CB 4.01Å; Y628-L646 HydrophobicContact CE1-CB 3.66Å
629D85.7Confident68.9Low124 Ų12491.1 Ų91.166%0.66348%0.477SS*.Hα-helixtrans-66.2-41.8-177.2-66.5-42000112.3N627 G631 I632 K633N627-D629 PolarHBondContact O-N 2.89Å; N627-D629 PolarHBondContact OD1-N 3.25Å; N627-D629 VanDerWaalsContact OD1-N 3.12Å; D629-G631 VanDerWaalsContact C-N 3.33Å; D629-G631 PolarHBondContact O-N 3.44Å; D629-I632 PolarHBondContact O-N 2.84Å; D629-K633 WeakPolarHBondContact O-CB 3.42Å; D629-K633 PolarHBondContact O-N 3.47Å
630D80.1Confident70.7Confident65 Ų6584.7 Ų84.735%0.34846%0.462SS..Hα-helixtrans-61.7-43.1174.2-68-24.8000110.8P625 S626 N627 R634P625-D630 HydrophobicContact CB-CB 4.14Å; S626-D630 PolarHBondContact OG-OD2 3.03Å; N627-D630 VanDerWaalsContact CG-OD2 3.27Å; N627-D630 PolarHBondContact ND2-OD2 2.91Å; N627-D630 WeakPolarHBondContact OD1-CB 3.32Å; N627-D630 PolarHBondContact OD1-N 2.03Å; N627-D630 PolarHBondContact OD1-OD2 3.27Å; D630-R634 WeakPolarHBondContact O-CB 3.48Å; D630-R634 PolarHBondContact O-N 3.36Å
631G83.4Confident72.3Confident0 Ų091.5 Ų91.50%047%0.465CS..Hα-helixtrans-63.2-46.3176.800000112.5N627 Y628 D629 R634 V635N627-G631 PolarHBondContact O-N 3.16Å; Y628-G631 PolarHBondContact O-N 3.34Å; D629-G631 VanDerWaalsContact C-N 3.33Å; D629-G631 PolarHBondContact O-N 3.44Å; G631-R634 PolarHBondContact O-N 2.65Å; G631-V635 WeakPolarHBondContact O-CG2 3.43Å; G631-V635 PolarHBondContact O-N 2.85Å; G631-V635 VanDerWaalsContact O-N 3.13Å
632I89.1Confident74.3Confident12 Ų1286.3 Ų86.36%0.06244%0.436CS..Hα-helixtrans-64.1-47.4177.1-68.1162.5000110.4M538 Y628 D629 R634 V635 R636 T654M538-I632 HydrophobicContact CE-CG1 4.3Å; M538-I632 HydrophobicContact SD-CG1 4.01Å; M538-I632 HydrophobicContact SD-CG2 4.49Å; Y628-I632 WeakPolarHBondContact O-CB 3.48Å; Y628-I632 WeakPolarHBondContact O-CD1 3.26Å; Y628-I632 VanDerWaalsContact O-CG1 3.23Å; Y628-I632 WeakPolarHBondContact O-CG1 3.44Å; Y628-I632 PolarHBondContact O-N 3.19Å; D629-I632 PolarHBondContact O-N 2.84Å; I632-R634 VanDerWaalsContact C-N 3.3Å; I632-R634 PolarHBondContact O-N 2.66Å; I632-V635 WeakPolarHBondContact O-CB 3.47Å; I632-V635 PolarHBondContact O-N 3.29Å; I632-V635 VanDerWaalsContact O-N 3.14Å; I632-R636 WeakPolarHBondContact O-CG 3.32Å; I632-R636 PolarHBondContact O-N 3.08Å; I632-R636 VanDerWaalsContact O-N 3.1Å; I632-T654 HydrophobicContact CD1-CG2 4.08Å; I632-T654 HydrophobicContact CG1-CG2 4.39Å; I632-T654 HydrophobicContact CG2-CG2 3.84Å
633K88Confident76.5Confident118 Ų11881.2 Ų81.251%0.51342%0.416SS..Hα-helixtrans-56.7-44.8177.2-178.1177.8175.5-177.10111.3D629 V635 R636 E637D629-K633 WeakPolarHBondContact O-CB 3.42Å; D629-K633 PolarHBondContact O-N 3.47Å; K633-V635 PolarHBondContact O-N 3.15Å; K633-R636 PolarHBondContact O-N 3.05Å; K633-R636 VanDerWaalsContact O-N 3.16Å; K633-E637 WeakPolarHBondContact CE-OE1 3.31Å; K633-E637 HydrophobicContact CG-CG 4.4Å; K633-E637 WeakPolarHBondContact CG-OE1 3.45Å; K633-E637 IonicContact NZ-OE1 2.63Å; K633-E637 WeakPolarHBondContact O-CG 3.35Å; K633-E637 PolarHBondContact O-N 2.85Å
634R82Confident78.5Confident74 Ų7477.8 Ų77.828%0.27939%0.393SS..Hα-helixtrans-62.1-38.8177.2-171.6171.4178.3173.4-6.1112.8V623 D630 G631 I632 S638 Y642V623-R634 PolarHBondContact O-NH1 2.72Å; D630-R634 WeakPolarHBondContact O-CB 3.48Å; D630-R634 PolarHBondContact O-N 3.36Å; G631-R634 PolarHBondContact O-N 2.65Å; I632-R634 VanDerWaalsContact C-N 3.3Å; I632-R634 PolarHBondContact O-N 2.66Å; R634-S638 WeakPolarHBondContact O-CB 3.37Å; R634-S638 PolarHBondContact O-N 3.26Å; R634-S638 PolarHBondContact O-OG 2.78Å; R634-Y642 HydrophobicContact CB-CD1 4.08Å; R634-Y642 HydrophobicContact CB-CE1 3.94Å; R634-Y642 HydrophobicContact CG-CD1 3.69Å; R634-Y642 HydrophobicContact CG-CD2 4.35Å; R634-Y642 HydrophobicContact CG-CE1 3.8Å; R634-Y642 HydrophobicContact CG-CE2 4.45Å; R634-Y642 HydrophobicContact CG-CG 3.98Å
635V87.4Confident80.4Confident0 Ų075 Ų750%038%0.379CS..Hα-helixtrans-60.4-46.5173.6173.50000110.9M538 I539 K540 G631 I632 K633 E637 Y642 F644 T662M538-V635 HydrophobicContact CG-CG1 4.26Å; I539-V635 VanDerWaalsContact C-CG1 3.44Å; K540-V635 HydrophobicContact CB-CG1 4.37Å; G631-V635 WeakPolarHBondContact O-CG2 3.43Å; G631-V635 PolarHBondContact O-N 2.85Å; G631-V635 VanDerWaalsContact O-N 3.13Å; I632-V635 WeakPolarHBondContact O-CB 3.47Å; I632-V635 PolarHBondContact O-N 3.29Å; I632-V635 VanDerWaalsContact O-N 3.14Å; K633-V635 PolarHBondContact O-N 3.15Å; V635-E637 PolarHBondContact O-N 2.88Å; V635-Y642 HydrophobicContact CB-CD1 4.41Å; V635-Y642 HydrophobicContact CG2-CD1 3.61Å; V635-Y642 HydrophobicContact CG2-CE1 3.88Å; V635-F644 HydrophobicContact CG2-CB 3.44Å; V635-F644 VanDerWaalsContact CG2-CB 3.44Å; V635-T662 HydrophobicContact CG1-CG2 4.48Å
636R89.4Confident82.1Confident70 Ų7073.7 Ų73.726%0.26437%0.37SS..Hα-helixtrans-62.6-41.2-179.2-65.5-175.6164.7156-0.7112.7K540 I632 K633 D661 T662K540-R636 PolarHBondContact NZ-O 2.8Å; I632-R636 WeakPolarHBondContact O-CG 3.32Å; I632-R636 PolarHBondContact O-N 3.08Å; I632-R636 VanDerWaalsContact O-N 3.1Å; K633-R636 PolarHBondContact O-N 3.05Å; K633-R636 VanDerWaalsContact O-N 3.16Å; R636-D661 WeakPolarHBondContact CD-OD2 3.41Å; R636-D661 WeakPolarHBondContact CG-OD2 3.07Å; R636-D661 IonicContact CZ-OD1 3.38Å; R636-D661 IonicContact NE-OD1 3.9Å; R636-D661 PolarHBondContact NE-OD1 2.77Å; R636-D661 IonicContact NE-OD2 3.76Å; R636-D661 IonicContact NH2-OD1 3.75Å; R636-T662 HydrophobicContact CG-CG2 4.11Å
637E85.9Confident83.6Confident124 Ų12470 Ų7058%0.57934%0.34SS*.Hα-helixtrans-80.1-27.7-176.5-69.7175.4172.800113.5K633 V635 K639K633-E637 WeakPolarHBondContact CE-OE1 3.31Å; K633-E637 HydrophobicContact CG-CG 4.4Å; K633-E637 WeakPolarHBondContact CG-OE1 3.45Å; K633-E637 IonicContact NZ-OE1 2.63Å; K633-E637 WeakPolarHBondContact O-CG 3.35Å; K633-E637 PolarHBondContact O-N 2.85Å; V635-E637 PolarHBondContact O-N 2.88Å; E637-K639 PolarHBondContact O-N 2.85Å; E637-K639 VanDerWaalsContact O-N 3.08Å
638S81.2Confident84.5Confident25 Ų2566.4 Ų66.418%0.17532%0.321CS..THydrogen-bonded Turntrans-75.22.7-172.2-64.40000115.6R634 G640 R641 Y642R634-S638 WeakPolarHBondContact O-CB 3.37Å; R634-S638 PolarHBondContact O-N 3.26Å; R634-S638 PolarHBondContact O-OG 2.78Å; S638-G640 VanDerWaalsContact C-N 3.26Å; S638-G640 PolarHBondContact O-N 3.32Å; S638-R641 WeakPolarHBondContact O-CB 3.42Å; S638-R641 PolarHBondContact O-N 2.93Å; S638-Y642 VanDerWaalsContact CB-CB 3.42Å; S638-Y642 VanDerWaalsContact OG-CB 3.31Å; S638-Y642 WeakPolarHBondContact OG-CB 3.31Å
639K80.9Confident84.9Confident167 Ų16763 Ų6373%0.72631%0.309SS*.THydrogen-bonded Turntrans48.543.4179.2-59.6-175.8-179.6-178.40113.5E637E637-K639 PolarHBondContact O-N 2.85Å; E637-K639 VanDerWaalsContact O-N 3.08Å
640G79.1Confident85.1Confident55 Ų5557.4 Ų57.457%0.56728%0.28SS*.THydrogen-bonded Turntrans84.92.617900000115.9S638S638-G640 VanDerWaalsContact C-N 3.26Å; S638-G640 PolarHBondContact O-N 3.32Å
641R74.3Confident85.6Confident216 Ų21654.3 Ų54.382%0.81526%0.263SS*.SBendtrans-91.91.6179.5-61.2-177.1-69.7176.6-0.3115S638S638-R641 WeakPolarHBondContact O-CB 3.42Å; S638-R641 PolarHBondContact O-N 2.93Å
642Y77.3Confident85.9Confident45 Ų4556.3 Ų56.318%0.17627%0.274CS..  trans-138.6136.5-178.5-178.4-100.3000110P625 R634 V635 S638 F644P625-Y642 WeakPolarHBondContact CD-OH 3.21Å; R634-Y642 HydrophobicContact CB-CD1 4.08Å; R634-Y642 HydrophobicContact CB-CE1 3.94Å; R634-Y642 HydrophobicContact CG-CD1 3.69Å; R634-Y642 HydrophobicContact CG-CD2 4.35Å; R634-Y642 HydrophobicContact CG-CE1 3.8Å; R634-Y642 HydrophobicContact CG-CE2 4.45Å; R634-Y642 HydrophobicContact CG-CG 3.98Å; V635-Y642 HydrophobicContact CB-CD1 4.41Å; V635-Y642 HydrophobicContact CG2-CD1 3.61Å; V635-Y642 HydrophobicContact CG2-CE1 3.88Å; S638-Y642 VanDerWaalsContact CB-CB 3.42Å; S638-Y642 VanDerWaalsContact OG-CB 3.31Å; S638-Y642 WeakPolarHBondContact OG-CB 3.31Å; Y642-F644 HydrophobicContact CE1-CB 3.97Å; Y642-F644 HydrophobicContact CE1-CD2 4.5Å
643A84Confident85.9Confident52 Ų5256.4 Ų56.443%0.4327%0.274SS..  trans-119.5146.1173.200000109.1I537 M538 I539I537-A643 HydrophobicContact CG2-CB 4.06Å; M538-A643 WeakPolarHBondContact O-CA 3.27Å; I539-A643 HydrophobicContact CG2-CB 3.87Å
644F85.8Confident85.9Confident21 Ų2151.5 Ų51.59%0.09225%0.253CS..EExtended strand (participates in β ladder)trans-121.5133.9-177.8-174.3-134.4000111.2M538 P625 Y628 V635 Y642 L646M538-F644 PolarHBondContact N-O 3Å; M538-F644 PolarHBondContact O-N 3.01Å; P625-F644 HydrophobicContact CG-CD2 3.94Å; P625-F644 HydrophobicContact CG-CE2 3.39Å; P625-F644 HydrophobicContact CG-CZ 4.12Å; Y628-F644 AromaticContact CD1-CE1 3.94Å; Y628-F644 HydrophobicContact CD1-CE1 3.94Å; Y628-F644 HydrophobicContact CD1-CZ 4.05Å; V635-F644 HydrophobicContact CG2-CB 3.44Å; V635-F644 VanDerWaalsContact CG2-CB 3.44Å; Y642-F644 HydrophobicContact CE1-CB 3.97Å; Y642-F644 HydrophobicContact CE1-CD2 4.5Å; F644-L646 HydrophobicContact CD1-CB 4.25Å; F644-L646 HydrophobicContact CD1-CD1 4.28Å; F644-L646 HydrophobicContact CD1-CD2 4.17Å; F644-L646 HydrophobicContact CD1-CG 4.47Å; F644-L646 HydrophobicContact CE1-CB 4.04Å; F644-L646 HydrophobicContact CE1-CD1 4.3Å
645L86.7Confident86.2Confident102 Ų10249.1 Ų49.153%0.53425%0.246SC..EExtended strand (participates in β ladder)trans-92.6122.3175.1-61.9-179.5000109.5I535 S536 I537 L669I535-L645 HydrophobicContact CG2-CB 4.2Å; I535-L645 HydrophobicContact CG2-CD2 4.49Å; S536-L645 WeakPolarHBondContact O-CA 3.4Å; I537-L645 HydrophobicContact CB-CD2 4.37Å; I537-L645 HydrophobicContact CD1-CD2 4.46Å; I537-L645 HydrophobicContact CG1-CD2 3.71Å; I537-L645 HydrophobicContact CG2-CD2 4.48Å; L645-L669 HydrophobicContact CD2-CD1 4.31Å
646L89.1Confident86.2Confident5 Ų551.2 Ų51.23%0.02626%0.258CS..EExtended strand (participates in β ladder)trans-152.5166.3179.572.9170.7000111.4S536 M538 Y628 F644 A648 T650 N651S536-L646 PolarHBondContact N-O 3.36Å; S536-L646 PolarHBondContact O-N 2.86Å; S536-L646 VanDerWaalsContact O-O 3.13Å; S536-L646 PolarHBondContact OG-O 3.02Å; M538-L646 HydrophobicContact CB-CD2 3.54Å; M538-L646 HydrophobicContact CE-CD1 3.83Å; M538-L646 HydrophobicContact CE-CD2 4.26Å; Y628-L646 HydrophobicContact CD1-CB 4.01Å; Y628-L646 HydrophobicContact CE1-CB 3.66Å; F644-L646 HydrophobicContact CD1-CB 4.25Å; F644-L646 HydrophobicContact CD1-CD1 4.28Å; F644-L646 HydrophobicContact CD1-CD2 4.17Å; F644-L646 HydrophobicContact CD1-CG 4.47Å; F644-L646 HydrophobicContact CE1-CB 4.04Å; F644-L646 HydrophobicContact CE1-CD1 4.3Å; L646-A648 PolarHBondContact O-N 2.88Å; L646-T650 HydrophobicContact CD1-CG2 3.86Å; L646-N651 HydrophobicContact CD1-CB 4.27Å; L646-N651 HydrophobicContact CD2-CB 3.97Å; L646-N651 HydrophobicContact CG-CB 4.03Å
647E89.6Confident85.9Confident33 Ų3352.1 Ų52.115%0.15426%0.261CS..EExtended strand (participates in β ladder)trans-59.4136.4176.3-66.1179.4155.100111.3V515 G534 T649 T650 N651 Y674V515-E647 WeakPolarHBondContact CG2-OE1 3.33Å; G534-E647 CarbonylContact O-C 3.55Å; G534-E647 WeakPolarHBondContact O-CA 3.36Å; E647-T649 VanDerWaalsContact C-N 3.25Å; E647-T649 PolarHBondContact O-N 2.91Å; E647-T650 WeakPolarHBondContact O-CB 3.22Å; E647-T650 PolarHBondContact O-N 3.34Å; E647-N651 PolarHBondContact O-N 2.78Å; E647-Y674 VanDerWaalsContact CD-OH 3.32Å; E647-Y674 PolarHBondContact OE2-OH 3.1Å
648A91.5Very high85.7Confident1 Ų152.3 Ų52.31%0.00826%0.264CS..Hα-helixtrans-55.6-40.5-176.100000112.7G534 S536 L646 T650 N651 D652 H668G534-A648 WeakPolarHBondContact O-CB 3.34Å; G534-A648 PolarHBondContact O-N 2.99Å; S536-A648 WeakPolarHBondContact OG-CA 3.41Å; L646-A648 PolarHBondContact O-N 2.88Å; A648-T650 PolarHBondContact O-N 3.19Å; A648-N651 WeakPolarHBondContact O-CB 3.3Å; A648-N651 PolarHBondContact O-N 2.98Å; A648-D652 WeakPolarHBondContact O-CB 3.3Å; A648-D652 PolarHBondContact O-N 3.45Å; A648-D652 VanDerWaalsContact O-OD2 3.12Å; A648-H668 VanDerWaalsContact CB-NE2 3.31Å; A648-H668 WeakPolarHBondContact CB-NE2 3.36Å
649T91.4Very high86Confident13 Ų1355.2 Ų55.28%0.0828%0.282CS..Hα-helixtrans-56.3-45.5173.837.70000112.2M531 T533 E647 Y653 Y674 W709M531-T649 HydrophobicContact CG-CG2 4.31Å; M531-T649 HydrophobicContact SD-CG2 3.65Å; T533-T649 PolarHBondContact OG1-N 2.8Å; T533-T649 PolarHBondContact OG1-OG1 3.15Å; T533-T649 VanDerWaalsContact OG1-OG1 3.08Å; E647-T649 VanDerWaalsContact C-N 3.25Å; E647-T649 PolarHBondContact O-N 2.91Å; T649-Y653 WeakPolarHBondContact O-CB 3.36Å; T649-Y653 PolarHBondContact O-N 2.81Å; T649-Y653 VanDerWaalsContact O-N 3.12Å; T649-Y674 HydrophobicContact CG2-CE2 4.12Å; T649-Y674 PolarHBondContact OG1-OH 3.01Å; T649-W709 HydrophobicContact CG2-CZ2 4.41Å; T649-W709 PolarHBondContact O-NE1 3.31Å
650T90.2Very high86.3Confident8 Ų848.9 Ų48.95%0.04926%0.258CS..Hα-helixtrans-68.1-42.4175.5-50.90000111.1L646 E647 A648 Y653 T654L646-T650 HydrophobicContact CD1-CG2 3.86Å; E647-T650 WeakPolarHBondContact O-CB 3.22Å; E647-T650 PolarHBondContact O-N 3.34Å; A648-T650 PolarHBondContact O-N 3.19Å; T650-Y653 PolarHBondContact O-N 2.89Å; T650-T654 PolarHBondContact O-N 3.21Å; T650-T654 PolarHBondContact O-OG1 3.25Å
651N90.5Very high86.7Confident0 Ų047.6 Ų47.60%024%0.238CC..Hα-helixtrans-60.6-50.1178.4-166.6-6.7000112S536 I537 M538 L646 E647 A648 Y653 T654 N655S536-N651 VanDerWaalsContact OG-CB 3.31Å; S536-N651 WeakPolarHBondContact OG-CB 3.45Å; S536-N651 PolarHBondContact OG-ND2 3.05Å; I537-N651 PolarHBondContact O-ND2 2.86Å; I537-N651 VanDerWaalsContact O-ND2 3.11Å; M538-N651 HydrophobicContact CE-CB 4.3Å; M538-N651 VanDerWaalsContact CE-OD1 3.31Å; M538-N651 WeakPolarHBondContact CE-OD1 3.42Å; L646-N651 HydrophobicContact CD1-CB 4.27Å; L646-N651 HydrophobicContact CD2-CB 3.97Å; L646-N651 HydrophobicContact CG-CB 4.03Å; E647-N651 PolarHBondContact O-N 2.78Å; A648-N651 WeakPolarHBondContact O-CB 3.3Å; A648-N651 PolarHBondContact O-N 2.98Å; N651-Y653 VanDerWaalsContact C-N 3.29Å; N651-Y653 PolarHBondContact O-N 3.22Å; N651-T654 PolarHBondContact O-N 3.42Å; N651-N655 WeakPolarHBondContact O-CB 3.35Å; N651-N655 PolarHBondContact O-N 2.82Å; N651-N655 PolarHBondContact O-ND2 2.94Å; N651-N655 PolarHBondContact OD1-ND2 3.05Å; N651-N655 PolarHBondContact OD1-OD1 2.9Å
652D89.5Confident87.5Confident42 Ų4237.6 Ų37.623%0.22520%0.201CC..Hα-helixtrans-64.1-34.8180-67.2-30.4000111.5A648 N656 K664A648-D652 WeakPolarHBondContact O-CB 3.3Å; A648-D652 PolarHBondContact O-N 3.45Å; A648-D652 VanDerWaalsContact O-OD2 3.12Å; D652-N656 PolarHBondContact O-ND2 3.24Å; D652-N656 VanDerWaalsContact O-ND2 3.1Å; D652-K664 WeakPolarHBondContact OD1-CD 3.28Å; D652-K664 IonicContact OD1-NZ 3.7Å; D652-K664 PolarHBondContact OD1-NZ 3.22Å; D652-K664 IonicContact OD2-NZ 3.67Å; D652-K664 PolarHBondContact OD2-NZ 3.07Å
653Y89.9Confident88.1Confident13 Ų1338.7 Ų38.75%0.05121%0.208CC..Hα-helixtrans-66.4-49.7173.3-179.8-115.1000112.6A438 P439 T649 T650 N651 N655 N656 R657A438-Y653 HydrophobicContact CB-CE1 3.92Å; P439-Y653 HydrophobicContact CB-CD2 4.03Å; P439-Y653 HydrophobicContact CB-CE1 4.49Å; P439-Y653 HydrophobicContact CB-CE2 3.47Å; P439-Y653 VanDerWaalsContact CB-CE2 3.47Å; P439-Y653 HydrophobicContact CG-CD2 3.64Å; P439-Y653 HydrophobicContact CG-CE2 3.64Å; P439-Y653 HydrophobicContact CG-CG 4.1Å; T649-Y653 WeakPolarHBondContact O-CB 3.36Å; T649-Y653 PolarHBondContact O-N 2.81Å; T649-Y653 VanDerWaalsContact O-N 3.12Å; T650-Y653 PolarHBondContact O-N 2.89Å; N651-Y653 VanDerWaalsContact C-N 3.29Å; N651-Y653 PolarHBondContact O-N 3.22Å; Y653-N655 VanDerWaalsContact C-N 3.33Å; Y653-N655 PolarHBondContact O-N 3.09Å; Y653-N656 PolarHBondContact O-N 3.37Å; Y653-R657 VanDerWaalsContact CZ-NE 3.33Å; Y653-R657 PolarHBondContact OH-NE 3.22Å; Y653-R657 PolarHBondContact OH-NH1 3.45Å; Y653-R657 PolarHBondContact OH-NH2 2.9Å
654T89.3Confident88.3Confident15 Ų1538.7 Ų38.79%0.09220%0.199CC..Hα-helixtrans-63.9-38.1-178.9-58.20000111.9M538 I632 T650 N651 N656 R657M538-T654 HydrophobicContact CE-CG2 3.8Å; I632-T654 HydrophobicContact CD1-CG2 4.08Å; I632-T654 HydrophobicContact CG1-CG2 4.39Å; I632-T654 HydrophobicContact CG2-CG2 3.84Å; T650-T654 PolarHBondContact O-N 3.21Å; T650-T654 PolarHBondContact O-OG1 3.25Å; N651-T654 PolarHBondContact O-N 3.42Å; T654-N656 PolarHBondContact O-N 2.89Å; T654-R657 PolarHBondContact O-N 3.41Å; T654-R657 VanDerWaalsContact O-N 3.16Å
655N88Confident88.4Confident24 Ų2440.5 Ų40.513%0.12821%0.211CC..Hα-helixtrans-62.7-26178.7-68.7-24.6000113.5N651 Y653 T662 M663 K664N651-N655 WeakPolarHBondContact O-CB 3.35Å; N651-N655 PolarHBondContact O-N 2.82Å; N651-N655 PolarHBondContact O-ND2 2.94Å; N651-N655 PolarHBondContact OD1-ND2 3.05Å; N651-N655 PolarHBondContact OD1-OD1 2.9Å; Y653-N655 VanDerWaalsContact C-N 3.33Å; Y653-N655 PolarHBondContact O-N 3.09Å; N655-T662 WeakPolarHBondContact OD1-CB 3.47Å; N655-T662 PolarHBondContact OD1-O 2.86Å; N655-T662 PolarHBondContact OD1-OG1 3.41Å; N655-M663 PolarHBondContact OD1-N 2.91Å; N655-K664 PolarHBondContact ND2-N 2.92Å; N655-K664 VanDerWaalsContact ND2-N 3.18Å
656N86Confident88.3Confident44 Ų4438.6 Ų38.624%0.23522%0.216CC..THydrogen-bonded Turntrans-91.38.3179.2-72.3-39.6000113.8D652 Y653 T654 W709 Y710 C717D652-N656 PolarHBondContact O-ND2 3.24Å; D652-N656 VanDerWaalsContact O-ND2 3.1Å; Y653-N656 PolarHBondContact O-N 3.37Å; T654-N656 PolarHBondContact O-N 2.89Å; N656-W709 PolarHBondContact ND2-O 2.86Å; N656-Y710 WeakPolarHBondContact ND2-CD1 3.46Å; N656-Y710 WeakPolarHBondContact ND2-CE1 3.48Å; N656-C717 PolarHBondContact O-SG 2.93Å
657R83.9Confident88.2Confident89 Ų8941 Ų4134%0.33624%0.243SC..SBendtrans-112.6151.9178.5-70.5-162.9162.3-159.7-11.9112.4Y653 T654 C660 C717Y653-R657 VanDerWaalsContact CZ-NE 3.33Å; Y653-R657 PolarHBondContact OH-NE 3.22Å; Y653-R657 PolarHBondContact OH-NH1 3.45Å; Y653-R657 PolarHBondContact OH-NH2 2.9Å; T654-R657 PolarHBondContact O-N 3.41Å; T654-R657 VanDerWaalsContact O-N 3.16Å; R657-C660 WeakPolarHBondContact O-CA 3.22Å; R657-C660 PolarHBondContact O-N 3.04Å; R657-C717 PolarHBondContact O-SG 3.45Å
658M82.3Confident88Confident129 Ų12943.6 Ų43.664%0.63526%0.255SS*.THydrogen-bonded Turntrans-56141.5173.8-77.5-177.4-178.700111Q716M658-Q716 WeakPolarHBondContact CE-O 3.47Å; M658-Q716 HydrophobicContact CG-CB 4.16Å; M658-Q716 WeakPolarHBondContact CG-O 3.47Å
659P86.8Confident87.4Confident85 Ų8549 Ų4955%0.55228%0.283SS*.THydrogen-bonded Turncis-9020.36.835.6-33.5000114.9D661P659-D661 HydrophobicContact CG-CB 4.09Å; P659-D661 PolarHBondContact O-N 2.89Å
660C86.7Confident87.1Confident34 Ų3451.2 Ų51.223%0.2329%0.294CS..  trans60.630.6176.7-38.90000113.5R657 C717R657-C660 WeakPolarHBondContact O-CA 3.22Å; R657-C660 PolarHBondContact O-N 3.04Å; C660-C717 HydrophobicContact CB-CB 3.87Å; C660-C717 WeakPolarHBondContact CB-SG 3.3Å; C660-C717 WeakPolarHBondContact SG-CA 3.48Å; C660-C717 WeakPolarHBondContact SG-CB 3.37Å; C660-C717 CovalentContact SG-SG 2.02Å; C660-C717 PolarHBondContact SG-SG 2.87Å
661D89.1Confident86.9Confident29 Ų2956.4 Ų56.416%0.15533%0.326CS..  trans-980.4-171.365.8-22000113.5K540 K541 R636 P659K540-D661 CarbonylContact C-O 3.59Å; K540-D661 WeakPolarHBondContact CA-O 3.49Å; K540-D661 WeakPolarHBondContact CG-O 3.48Å; K541-D661 PolarHBondContact N-O 3.45Å; R636-D661 WeakPolarHBondContact CD-OD2 3.41Å; R636-D661 WeakPolarHBondContact CG-OD2 3.07Å; R636-D661 IonicContact CZ-OD1 3.38Å; R636-D661 IonicContact NE-OD1 3.9Å; R636-D661 PolarHBondContact NE-OD1 2.77Å; R636-D661 IonicContact NE-OD2 3.76Å; R636-D661 IonicContact NH2-OD1 3.75Å; P659-D661 HydrophobicContact CG-CB 4.09Å; P659-D661 PolarHBondContact O-N 2.89Å
662T90.3Very high86.9Confident5 Ų558.3 Ų58.33%0.03134%0.337CS..EExtended strand (participates in β ladder)trans-109.4152.8177.259.40000110.8M538 I539 V635 R636 N655M538-T662 HydrophobicContact CG-CG2 4.23Å; M538-T662 HydrophobicContact SD-CG2 3.87Å; I539-T662 CarbonylContact O-C 3.6Å; I539-T662 WeakPolarHBondContact O-CA 3.4Å; V635-T662 HydrophobicContact CG1-CG2 4.48Å; R636-T662 HydrophobicContact CG-CG2 4.11Å; N655-T662 WeakPolarHBondContact OD1-CB 3.47Å; N655-T662 PolarHBondContact OD1-O 2.86Å; N655-T662 PolarHBondContact OD1-OG1 3.41Å
663M89.2Confident87Confident68 Ų6856.7 Ų56.734%0.33533%0.331SS..EExtended strand (participates in β ladder)trans-143.3148171.264.6177-76.500111.6I539 K541 N655 V665I539-M663 HydrophobicContact CD1-CG 3.97Å; I539-M663 HydrophobicContact CD1-SD 4.05Å; I539-M663 HydrophobicContact CG1-CG 3.5Å; I539-M663 VanDerWaalsContact CG1-CG 3.5Å; I539-M663 HydrophobicContact CG1-SD 4.26Å; I539-M663 PolarHBondContact N-O 3.33Å; I539-M663 PolarHBondContact O-N 3.23Å; K541-M663 HydrophobicContact CB-CB 4.49Å; K541-M663 HydrophobicContact CB-CG 4.39Å; K541-M663 HydrophobicContact CB-SD 4.48Å; K541-M663 HydrophobicContact CG-SD 4.34Å; N655-M663 PolarHBondContact OD1-N 2.91Å; M663-V665 HydrophobicContact CE-CG2 4.17Å
664K89.5Confident87.3Confident52 Ų5256.1 Ų56.123%0.22633%0.329CS..EExtended strand (participates in β ladder)trans-82.1136.6171.5178.7175.1176.6-174.80110.5I537 D652 N655 H668I537-K664 WeakPolarHBondContact O-CA 3.32Å; D652-K664 WeakPolarHBondContact OD1-CD 3.28Å; D652-K664 IonicContact OD1-NZ 3.7Å; D652-K664 PolarHBondContact OD1-NZ 3.22Å; D652-K664 IonicContact OD2-NZ 3.67Å; D652-K664 PolarHBondContact OD2-NZ 3.07Å; N655-K664 PolarHBondContact ND2-N 2.92Å; N655-K664 VanDerWaalsContact ND2-N 3.18Å; K664-H668 PolarHBondContact NZ-NE2 3.14Å; K664-H668 VanDerWaalsContact NZ-NE2 3.19Å
665V87Confident87.5Confident59 Ų5955.4 Ų55.436%0.35832%0.324SS..EExtended strand (participates in β ladder)trans-120133.8176.6-175.50000110I537 I539 M663I537-V665 PolarHBondContact O-N 3.25Å; I539-V665 HydrophobicContact CD1-CG2 3.43Å; I539-V665 VanDerWaalsContact CD1-CG2 3.43Å; I539-V665 HydrophobicContact CG1-CG2 3.58Å; I539-V665 HydrophobicContact CG2-CG2 4.26Å; M663-V665 HydrophobicContact CE-CG2 4.17Å
666G85.7Confident87.9Confident62 Ų6254.2 Ų54.264%0.63932%0.318SS*.SBendtrans75.2-178178.200000114.5
667G85.3Confident88.4Confident56 Ų5652.1 Ų52.158%0.57731%0.307SS*.SBendtrans-82.5-170.9172.300000112.6
668H86.8Confident88.9Confident87 Ų8748 Ų4840%0.40329%0.292SS..  trans-76.7135.3173.9-53.2163.6000110.3I535 A648 K664 N670I535-H668 WeakPolarHBondContact O-CA 3.21Å; A648-H668 VanDerWaalsContact CB-NE2 3.31Å; A648-H668 WeakPolarHBondContact CB-NE2 3.36Å; K664-H668 PolarHBondContact NZ-NE2 3.14Å; K664-H668 VanDerWaalsContact NZ-NE2 3.19Å; H668-N670 VanDerWaalsContact C-N 3.27Å; H668-N670 WeakPolarHBondContact CB-O 3.28Å; H668-N670 PolarHBondContact O-N 3.45Å
669L79.3Confident89.1Confident114 Ų11443.9 Ų43.960%0.59728%0.275SS*.SBendtrans-72.7-22.8176.4-60.8176.9000112.5I535 L645I535-L669 HydrophobicContact CB-CB 4.25Å; I535-L669 HydrophobicContact CB-CD1 4.41Å; I535-L669 HydrophobicContact CG2-CD1 3.89Å; I535-L669 PolarHBondContact O-N 2.9Å; L645-L669 HydrophobicContact CD2-CD1 4.31Å
670N84Confident88.8Confident60 Ų6045 Ų4532%0.32127%0.271SS..SBendtrans-146.3173.3173.866.6-5.5000109.9G534 I535 H668G534-N670 WeakPolarHBondContact CA-O 3.38Å; G534-N670 VanDerWaalsContact CA-OD1 3.29Å; G534-N670 WeakPolarHBondContact CA-OD1 3.48Å; I535-N670 PolarHBondContact N-OD1 3.23Å; H668-N670 VanDerWaalsContact C-N 3.27Å; H668-N670 WeakPolarHBondContact CB-O 3.28Å; H668-N670 PolarHBondContact O-N 3.45Å
671T86.3Confident88.2Confident118 Ų11845.1 Ų45.172%0.72428%0.278SS*.  trans-122.2117.2173.2-50.60000108.7
672V89.8Confident87.7Confident39 Ų3945.1 Ų45.124%0.23628%0.28CS..EExtended strand (participates in β ladder)trans-128.2166.8175.7-59.30000109.4V515 T532 T533V515-V672 HydrophobicContact CG1-CB 3.97Å; V515-V672 HydrophobicContact CG1-CG1 4.38Å; V515-V672 HydrophobicContact CG1-CG2 4.1Å; T532-V672 WeakPolarHBondContact CA-O 3.36Å; T533-V672 HydrophobicContact CG2-CG2 3.59Å; T533-V672 PolarHBondContact N-O 3.17Å; T533-V672 PolarHBondContact O-N 3.41Å
673G91.8Very high87.3Confident9 Ų949.4 Ų49.49%0.09330%0.3CS..EExtended strand (participates in β ladder)trans-134.1146.5178.800000111.9I516 M531I516-G673 WeakPolarHBondContact CG1-O 2.98Å; I516-G673 PolarHBondContact N-O 3.43Å; M531-G673 CarbonylContact O-C 3.57Å; M531-G673 VanDerWaalsContact O-CA 3.28Å; M531-G673 WeakPolarHBondContact O-CA 3.43Å
674Y95.7Very high87.1Confident0 Ų046.6 Ų46.60%029%0.286CS..EExtended strand (participates in β ladder)trans-85132.6167.1-56.6-47.3000109.6F440 S513 L514 V515 P529 Y530 M531 T533 E647 T649F440-Y674 HydrophobicContact CE1-CD2 4.13Å; F440-Y674 AromaticContact CE1-CE2 3.97Å; F440-Y674 HydrophobicContact CE1-CE2 3.97Å; F440-Y674 HydrophobicContact CZ-CD2 4.2Å; F440-Y674 AromaticContact CZ-CE2 3.56Å; F440-Y674 HydrophobicContact CZ-CE2 3.56Å; S513-Y674 VanDerWaalsContact C-CD1 3.43Å; S513-Y674 WeakPolarHBondContact O-CE1 3.45Å; L514-Y674 WeakPolarHBondContact O-CA 3.49Å; V515-Y674 HydrophobicContact CG2-CD1 3.93Å; V515-Y674 HydrophobicContact CG2-CE1 3.64Å; P529-Y674 CarbonylContact C-O 3.59Å; P529-Y674 WeakPolarHBondContact CA-O 3.44Å; Y530-Y674 WeakPolarHBondContact CD1-O 3.32Å; Y530-Y674 HydrophobicContact CE2-CD2 4.46Å; Y530-Y674 VanDerWaalsContact CZ-CB 3.46Å; Y530-Y674 PolarHBondContact N-O 3.29Å; Y530-Y674 WeakPolarHBondContact OH-CB 3.01Å; M531-Y674 HydrophobicContact CB-CD2 4.13Å; M531-Y674 HydrophobicContact CG-CD2 4.2Å; M531-Y674 PolarHBondContact O-N 2.76Å; M531-Y674 HydrophobicContact SD-CD2 4.14Å; M531-Y674 HydrophobicContact SD-CE2 4.23Å; T533-Y674 HydrophobicContact CG2-CE1 3.96Å; T533-Y674 HydrophobicContact CG2-CE2 4.02Å; E647-Y674 VanDerWaalsContact CD-OH 3.32Å; E647-Y674 PolarHBondContact OE2-OH 3.1Å; T649-Y674 HydrophobicContact CG2-CE2 4.12Å; T649-Y674 PolarHBondContact OG1-OH 3.01Å
675G95Very high87Confident0 Ų045.9 Ų45.90%028%0.283CS..  trans-126.9157.5178.600000111.6L514L514-G675 PolarHBondContact O-N 3.5Å
676V96.5Very high86.8Confident0 Ų045.5 Ų45.50%028%0.283CS..  trans-79126.3167.9177.50000107.7L467 M509 T510 V511 F526 S527 Y530 I688 I692L467-V676 HydrophobicContact CD1-CG2 4.48Å; M509-V676 HydrophobicContact CE-CG1 3.56Å; T510-V676 WeakPolarHBondContact O-CA 3.33Å; V511-V676 HydrophobicContact CG2-CG1 3.9Å; V511-V676 HydrophobicContact CG2-CG2 4.16Å; F526-V676 CarbonylContact C-O 3.52Å; F526-V676 WeakPolarHBondContact CA-O 3.47Å; S527-V676 PolarHBondContact N-O 2.92Å; S527-V676 PolarHBondContact OG-N 2.86Å; Y530-V676 HydrophobicContact CD1-CG2 4.14Å; Y530-V676 HydrophobicContact CE1-CG2 4.37Å; V676-I688 HydrophobicContact CB-CG2 3.98Å; V676-I688 HydrophobicContact CG1-CD1 3.98Å; V676-I688 HydrophobicContact CG1-CG2 4.1Å; V676-I688 HydrophobicContact CG2-CG2 4.15Å; V676-I692 HydrophobicContact CG2-CD1 4.02Å
677A96.1Very high87Confident0 Ų045.2 Ų45.20%026%0.263CS..EExtended strand (participates in β ladder)trans-96.2142177.700000110.9L502 M509 T510 L514 V524 D525 F526L502-A677 HydrophobicContact CD2-CB 3.85Å; M509-A677 CarbonylContact C-O 3.56Å; M509-A677 WeakPolarHBondContact CA-O 3.33Å; T510-A677 PolarHBondContact N-O 3.4Å; T510-A677 PolarHBondContact O-N 2.71Å; L514-A677 HydrophobicContact CD2-CB 3.89Å; V524-A677 HydrophobicContact CG2-CB 4.23Å; D525-A677 CarbonylContact O-C 3.54Å; D525-A677 VanDerWaalsContact O-CA 3.31Å; D525-A677 WeakPolarHBondContact O-CA 3.49Å; F526-A677 HydrophobicContact CD1-CB 4.01Å; F526-A677 HydrophobicContact CE1-CB 3.77Å; F526-A677 HydrophobicContact CZ-CB 4.22Å
678T93.1Very high87.3Confident2 Ų242.5 Ų42.51%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-133.9157.4174.6610000109.6L502 M509 D525 L684 I688L502-T678 VanDerWaalsContact CD2-C 3.48Å; M509-T678 HydrophobicContact CB-CG2 4.13Å; D525-T678 PolarHBondContact N-O 3.38Å; D525-T678 PolarHBondContact O-N 3.16Å; T678-L684 HydrophobicContact CG2-CB 4.36Å; T678-I688 HydrophobicContact CG2-CD1 3.94Å
679P86.9Confident87.5Confident43 Ų4339.9 Ų39.928%0.27922%0.224SC..  trans-56.5150.5168.5-20.933.4000110.3L502 D508 G681 S682L502-P679 HydrophobicContact CD1-CG 4.01Å; L502-P679 HydrophobicContact CG-CG 4.04Å; D508-P679 WeakPolarHBondContact O-CD 3.16Å; P679-G681 PolarHBondContact O-N 3.17Å; P679-S682 WeakPolarHBondContact O-CB 3.38Å; P679-S682 PolarHBondContact O-N 2.95Å
680F81Confident88.1Confident108 Ų10838.6 Ų38.647%0.47422%0.217SC..THydrogen-bonded Turntrans-55.9132.7178.6-90.2-60.5000111.9E521 R522 V523 D525 S682E521-F680 WeakPolarHBondContact O-CZ 3.45Å; R522-F680 VanDerWaalsContact O-CE2 3.29Å; R522-F680 WeakPolarHBondContact O-CE2 3.35Å; V523-F680 VanDerWaalsContact CA-CE2 3.42Å; V523-F680 WeakPolarHBondContact O-CD2 3.42Å; V523-F680 WeakPolarHBondContact O-CE2 3.37Å; D525-F680 HydrophobicContact CB-CD1 4.19Å; D525-F680 WeakPolarHBondContact OD1-CD1 3.36Å; D525-F680 WeakPolarHBondContact OD1-CE1 3.48Å; D525-F680 WeakPolarHBondContact OD2-CD1 3.43Å; F680-S682 PolarHBondContact O-N 2.97Å
681G74.3Confident88.5Confident36 Ų3635.9 Ų35.937%0.37120%0.203SC..THydrogen-bonded Turntrans74.18.1179.600000114.5D525 P679 E683D525-G681 PolarHBondContact OD2-N 3.37Å; D525-G681 VanDerWaalsContact OD2-N 3.1Å; P679-G681 PolarHBondContact O-N 3.17Å; G681-E683 PolarHBondContact O-N 3.21Å
682S79.2Confident88.9Confident30 Ų3030.3 Ų30.321%0.2117%0.169CC..  trans-59.2128.5174.3178.80000111.3P679 F680 L684 K685P679-S682 WeakPolarHBondContact O-CB 3.38Å; P679-S682 PolarHBondContact O-N 2.95Å; F680-S682 PolarHBondContact O-N 2.97Å; S682-L684 PolarHBondContact O-N 3.43Å; S682-L684 VanDerWaalsContact O-N 3.17Å; S682-L684 PolarHBondContact OG-N 3.01Å; S682-K685 WeakPolarHBondContact O-CB 3.45Å; S682-K685 PolarHBondContact O-N 3.21Å; S682-K685 VanDerWaalsContact O-N 3.09Å
683E81Confident89Confident94 Ų9431.6 Ų31.644%0.43917%0.174SC..THydrogen-bonded Turntrans-57.6-25.1173.4-76-174.5-178.900113.1A417 G681 K685 S686A417-E683 HydrophobicContact CB-CB 3.55Å; A417-E683 HydrophobicContact CB-CG 3.64Å; G681-E683 PolarHBondContact O-N 3.21Å; E683-K685 VanDerWaalsContact C-N 3.26Å; E683-K685 PolarHBondContact O-N 2.84Å; E683-S686 PolarHBondContact O-OG 3.49Å
684L85.5Confident89Confident9 Ų934.2 Ų34.25%0.04718%0.184CC..Hα-helixtrans-65.6-29.2177.6-65.4175.1000112.1F474 M509 T678 S682 S686 R687 I688F474-L684 HydrophobicContact CD2-CD2 4.33Å; F474-L684 HydrophobicContact CE2-CD2 4.21Å; M509-L684 HydrophobicContact SD-CD1 4.2Å; T678-L684 HydrophobicContact CG2-CB 4.36Å; S682-L684 PolarHBondContact O-N 3.43Å; S682-L684 VanDerWaalsContact O-N 3.17Å; S682-L684 PolarHBondContact OG-N 3.01Å; L684-S686 PolarHBondContact O-N 3.45Å; L684-R687 PolarHBondContact O-N 2.84Å; L684-I688 HydrophobicContact CB-CD1 3.79Å; L684-I688 HydrophobicContact CB-CG1 4.5Å; L684-I688 WeakPolarHBondContact O-CB 3.43Å; L684-I688 WeakPolarHBondContact O-CD1 3.43Å; L684-I688 WeakPolarHBondContact O-CG1 3.46Å; L684-I688 PolarHBondContact O-N 2.96Å
685K86.7Confident88.9Confident37 Ų3734.2 Ų34.216%0.16118%0.184CC..Hα-helixtrans-58.4-45.5-174.3-173.3-167.5-174177.60112.7D525 F526 S682 E683 N689D525-K685 HydrophobicContact CB-CD 3.81Å; D525-K685 IonicContact OD1-NZ 3.92Å; D525-K685 PolarHBondContact OD1-NZ 3.4Å; D525-K685 IonicContact OD2-NZ 2.72Å; D525-K685 PolarHBondContact OD2-NZ 2.79Å; F526-K685 WeakPolarHBondContact O-CE 3.35Å; S682-K685 WeakPolarHBondContact O-CB 3.45Å; S682-K685 PolarHBondContact O-N 3.21Å; S682-K685 VanDerWaalsContact O-N 3.09Å; E683-K685 VanDerWaalsContact C-N 3.26Å; E683-K685 PolarHBondContact O-N 2.84Å; K685-N689 WeakPolarHBondContact O-CB 3.43Å; K685-N689 VanDerWaalsContact O-CG 3.27Å; K685-N689 PolarHBondContact O-N 2.9Å; K685-N689 PolarHBondContact O-ND2 3.21Å
686S84.1Confident88.8Confident52 Ų5239.5 Ų39.536%0.36421%0.209SC..Hα-helixtrans-67.5-42.7-179.656.70000111.3E683 L684 N689 L690E683-S686 PolarHBondContact O-OG 3.49Å; L684-S686 PolarHBondContact O-N 3.45Å; S686-N689 PolarHBondContact O-N 3.46Å; S686-L690 WeakPolarHBondContact O-CG 3.42Å; S686-L690 PolarHBondContact O-N 3.41Å; S686-L690 VanDerWaalsContact O-N 3.11Å
687R88.6Confident88.6Confident55 Ų5547.5 Ų47.521%0.20825%0.246CC..Hα-helixtrans-65.5-44178.7-58.5-179.374.6-161.7-0.8111.4I471 D472 L684 L690 A691I471-R687 HydrophobicContact CD1-CB 4.46Å; I471-R687 HydrophobicContact CG1-CB 4.49Å; I471-R687 HydrophobicContact CG2-CB 4.36Å; D472-R687 PolarHBondContact O-NH1 3Å; D472-R687 PolarHBondContact O-NH2 3.23Å; L684-R687 PolarHBondContact O-N 2.84Å; R687-L690 PolarHBondContact O-N 2.97Å; R687-A691 PolarHBondContact O-N 3.23Å
688I92.4Very high88.4Confident0 Ų053.1 Ų53.10%027%0.271CS..Hα-helixtrans-64.2-39.9175.1-67.8163.3000111I471 M509 V676 T678 L684 A691 I692I471-I688 HydrophobicContact CD1-CG1 3.82Å; M509-I688 HydrophobicContact CE-CD1 3.71Å; M509-I688 HydrophobicContact SD-CD1 3.97Å; V676-I688 HydrophobicContact CB-CG2 3.98Å; V676-I688 HydrophobicContact CG1-CD1 3.98Å; V676-I688 HydrophobicContact CG1-CG2 4.1Å; V676-I688 HydrophobicContact CG2-CG2 4.15Å; T678-I688 HydrophobicContact CG2-CD1 3.94Å; L684-I688 HydrophobicContact CB-CD1 3.79Å; L684-I688 HydrophobicContact CB-CG1 4.5Å; L684-I688 WeakPolarHBondContact O-CB 3.43Å; L684-I688 WeakPolarHBondContact O-CD1 3.43Å; L684-I688 WeakPolarHBondContact O-CG1 3.46Å; L684-I688 PolarHBondContact O-N 2.96Å; I688-A691 CarbonylContact O-C 3.53Å; I688-A691 WeakPolarHBondContact O-CA 3.36Å; I688-A691 PolarHBondContact O-N 3.41Å; I688-I692 HydrophobicContact CG2-CD1 3.59Å; I688-I692 HydrophobicContact CG2-CG1 4.2Å; I688-I692 WeakPolarHBondContact O-CB 3.3Å; I688-I692 WeakPolarHBondContact O-CG1 3.35Å; I688-I692 PolarHBondContact O-N 3.44Å
689N90.9Very high88.3Confident32 Ų3254.3 Ų54.317%0.17128%0.283CS..Hα-helixtrans-60.3-49176.5-85.3-18.7000112.3S527 K528 K685 S686 A691 I692 L693S527-N689 VanDerWaalsContact C-OD1 3.29Å; S527-N689 WeakPolarHBondContact CA-OD1 3.48Å; S527-N689 VanDerWaalsContact CB-OD1 3.29Å; S527-N689 WeakPolarHBondContact CB-OD1 3.46Å; K528-N689 PolarHBondContact N-OD1 2.95Å; K685-N689 WeakPolarHBondContact O-CB 3.43Å; K685-N689 VanDerWaalsContact O-CG 3.27Å; K685-N689 PolarHBondContact O-N 2.9Å; K685-N689 PolarHBondContact O-ND2 3.21Å; S686-N689 PolarHBondContact O-N 3.46Å; N689-A691 VanDerWaalsContact C-N 3.31Å; N689-I692 PolarHBondContact O-N 3.5Å; N689-L693 WeakPolarHBondContact O-CB 3.4Å; N689-L693 WeakPolarHBondContact O-CG 3.21Å; N689-L693 PolarHBondContact O-N 3.33Å
690L91.2Very high88.7Confident86 Ų8655 Ų5545%0.4528%0.283SS..Hα-helixtrans-63.3-43176.1-65.5172.1000110.8S686 R687 I692 L693 E694S686-L690 WeakPolarHBondContact O-CG 3.42Å; S686-L690 PolarHBondContact O-N 3.41Å; S686-L690 VanDerWaalsContact O-N 3.11Å; R687-L690 PolarHBondContact O-N 2.97Å; L690-I692 PolarHBondContact O-N 2.95Å; L690-L693 PolarHBondContact O-N 3.37Å; L690-E694 WeakPolarHBondContact O-CB 3.48Å; L690-E694 PolarHBondContact O-N 3.27Å
691A93.3Very high89.3Confident4 Ų450.3 Ų50.33%0.03326%0.263CS..Hα-helixtrans-33.7-69.5163.100000114K470 R687 I688 N689 L693 E694 L695K470-A691 HydrophobicContact CB-CB 3.43Å; K470-A691 VanDerWaalsContact CB-CB 3.43Å; K470-A691 HydrophobicContact CG-CB 3.99Å; R687-A691 PolarHBondContact O-N 3.23Å; I688-A691 CarbonylContact O-C 3.53Å; I688-A691 WeakPolarHBondContact O-CA 3.36Å; I688-A691 PolarHBondContact O-N 3.41Å; N689-A691 VanDerWaalsContact C-N 3.31Å; A691-L693 PolarHBondContact O-N 3.01Å; A691-E694 PolarHBondContact O-N 2.86Å; A691-L695 VanDerWaalsContact O-CG 3.28Å; A691-L695 WeakPolarHBondContact O-CG 3.46Å; A691-L695 PolarHBondContact O-N 2.56Å
692I93.9Very high90.2Very high0 Ų053.5 Ų53.50%027%0.266CS..Hα-helixtrans-65.2-40.7-174.8-70.3169.4000111L467 S527 V676 I688 N689 L690 L695 Q696 L701L467-I692 HydrophobicContact CD2-CG1 4.25Å; S527-I692 VanDerWaalsContact OG-CD1 3.24Å; S527-I692 WeakPolarHBondContact OG-CD1 3.39Å; V676-I692 HydrophobicContact CG2-CD1 4.02Å; I688-I692 HydrophobicContact CG2-CD1 3.59Å; I688-I692 HydrophobicContact CG2-CG1 4.2Å; I688-I692 WeakPolarHBondContact O-CB 3.3Å; I688-I692 WeakPolarHBondContact O-CG1 3.35Å; I688-I692 PolarHBondContact O-N 3.44Å; N689-I692 PolarHBondContact O-N 3.5Å; L690-I692 PolarHBondContact O-N 2.95Å; I692-L695 PolarHBondContact O-N 2.83Å; I692-Q696 VanDerWaalsContact O-CB 3.26Å; I692-Q696 WeakPolarHBondContact O-CB 3.23Å; I692-Q696 PolarHBondContact O-N 2.96Å; I692-L701 HydrophobicContact CG2-CD1 4.28Å
693L91.5Very high90.9Very high66 Ų6657.8 Ų57.835%0.34628%0.281SS..Hα-helixtrans-63.2-44.8178.2-70.5171.6000111.3K528 N689 L690 A691 Q696 E697K528-L693 HydrophobicContact CG-CD2 4.47Å; N689-L693 WeakPolarHBondContact O-CB 3.4Å; N689-L693 WeakPolarHBondContact O-CG 3.21Å; N689-L693 PolarHBondContact O-N 3.33Å; L690-L693 PolarHBondContact O-N 3.37Å; A691-L693 PolarHBondContact O-N 3.01Å; L693-Q696 WeakPolarHBondContact O-CB 3.3Å; L693-Q696 PolarHBondContact O-N 3.38Å; L693-E697 WeakPolarHBondContact O-CB 3.31Å; L693-E697 WeakPolarHBondContact O-CG 3.35Å; L693-E697 PolarHBondContact O-N 3.19Å
694E92.1Very high91.5Very high64 Ų6454.1 Ų54.130%0.29927%0.265SS..Hα-helixtrans-64-42.5176.8-167.6-165.9148.400111.7K470 L690 A691 Q696 E697 K698K470-E694 IonicContact NZ-OE1 3.41Å; K470-E694 PolarHBondContact NZ-OE1 3.15Å; L690-E694 WeakPolarHBondContact O-CB 3.48Å; L690-E694 PolarHBondContact O-N 3.27Å; A691-E694 PolarHBondContact O-N 2.86Å; E694-Q696 VanDerWaalsContact C-N 3.28Å; E694-Q696 PolarHBondContact O-N 3.15Å; E694-E697 PolarHBondContact O-N 2.9Å; E694-K698 HydrophobicContact CG-CD 4.21Å; E694-K698 WeakPolarHBondContact O-CB 3.28Å; E694-K698 WeakPolarHBondContact O-CG 3.21Å; E694-K698 PolarHBondContact O-N 3.28Å; E694-K698 WeakPolarHBondContact OE1-CE 3.37Å; E694-K698 IonicContact OE1-NZ 2.87Å; E694-K698 PolarHBondContact OE1-NZ 3.33Å
695L94.5Very high91.8Very high1 Ų156 Ų561%0.00527%0.273CS..Hα-helixtrans-64.2-34.2176-69174.3000112.2L463 L466 L467 K470 A691 I692 G699 E700 L701L463-L695 HydrophobicContact CD1-CD1 4.3Å; L466-L695 HydrophobicContact CB-CD1 3.97Å; L466-L695 HydrophobicContact CB-CD2 4.18Å; L466-L695 HydrophobicContact CD1-CD1 4.47Å; L466-L695 HydrophobicContact CD1-CD2 4.12Å; L467-L695 HydrophobicContact CD2-CD1 4.32Å; K470-L695 HydrophobicContact CG-CD2 4.36Å; A691-L695 VanDerWaalsContact O-CG 3.28Å; A691-L695 WeakPolarHBondContact O-CG 3.46Å; A691-L695 PolarHBondContact O-N 2.56Å; I692-L695 PolarHBondContact O-N 2.83Å; L695-G699 PolarHBondContact O-N 3.49Å; L695-E700 HydrophobicContact CB-CB 4.45Å; L695-E700 HydrophobicContact CD2-CB 3.96Å; L695-E700 HydrophobicContact CD2-CG 4.23Å; L695-E700 PolarHBondContact O-N 3.48Å; L695-L701 HydrophobicContact CB-CD1 4.44Å; L695-L701 HydrophobicContact CB-CD2 4.01Å; L695-L701 HydrophobicContact CB-CG 3.91Å; L695-L701 HydrophobicContact CD1-CD2 4.33Å; L695-L701 PolarHBondContact O-N 3.22Å
696Q92.1Very high92Very high111 Ų11157 Ų5752%0.51928%0.28SS..Hα-helixtrans-71-45.8175.7-171.2173.2-2.800111.3I692 L693 E694 K698 G699 L701I692-Q696 VanDerWaalsContact O-CB 3.26Å; I692-Q696 WeakPolarHBondContact O-CB 3.23Å; I692-Q696 PolarHBondContact O-N 2.96Å; L693-Q696 WeakPolarHBondContact O-CB 3.3Å; L693-Q696 PolarHBondContact O-N 3.38Å; E694-Q696 VanDerWaalsContact C-N 3.28Å; E694-Q696 PolarHBondContact O-N 3.15Å; Q696-K698 VanDerWaalsContact C-N 3.33Å; Q696-K698 PolarHBondContact O-N 3.23Å; Q696-G699 PolarHBondContact O-N 2.94Å; Q696-G699 VanDerWaalsContact O-N 3.11Å; Q696-L701 HydrophobicContact CB-CD1 3.91Å
697E91.5Very high92.4Very high168 Ų16857.8 Ų57.879%0.78528%0.277SS*.Hα-helixtrans-62.2-38.3177.5-76.1176.5-177.300112.4L693 E694 G699L693-E697 WeakPolarHBondContact O-CB 3.31Å; L693-E697 WeakPolarHBondContact O-CG 3.35Å; L693-E697 PolarHBondContact O-N 3.19Å; E694-E697 PolarHBondContact O-N 2.9Å; E697-G699 VanDerWaalsContact C-N 3.25Å; E697-G699 PolarHBondContact O-N 2.66Å
698K93.2Very high92.6Very high118 Ų11855.5 Ų55.551%0.51327%0.268SS..THydrogen-bonded Turntrans-78-6.3176.3-70179.7175.6177.60114E694 Q696 E700E694-K698 HydrophobicContact CG-CD 4.21Å; E694-K698 WeakPolarHBondContact O-CB 3.28Å; E694-K698 WeakPolarHBondContact O-CG 3.21Å; E694-K698 PolarHBondContact O-N 3.28Å; E694-K698 WeakPolarHBondContact OE1-CE 3.37Å; E694-K698 IonicContact OE1-NZ 2.87Å; E694-K698 PolarHBondContact OE1-NZ 3.33Å; Q696-K698 VanDerWaalsContact C-N 3.33Å; Q696-K698 PolarHBondContact O-N 3.23Å; K698-E700 HydrophobicContact CB-CG 4.07Å; K698-E700 PolarHBondContact O-N 2.83Å
699G91.6Very high92.4Very high27 Ų2755.8 Ų55.828%0.27827%0.27SS..THydrogen-bonded Turntrans71.511.8-177.400000114.6L695 Q696 E697 L701 K702 K703L695-G699 PolarHBondContact O-N 3.49Å; Q696-G699 PolarHBondContact O-N 2.94Å; Q696-G699 VanDerWaalsContact O-N 3.11Å; E697-G699 VanDerWaalsContact C-N 3.25Å; E697-G699 PolarHBondContact O-N 2.66Å; G699-L701 VanDerWaalsContact C-N 3.34Å; G699-L701 PolarHBondContact O-N 3.12Å; G699-K702 PolarHBondContact O-N 3.35Å; G699-K702 VanDerWaalsContact O-N 3.15Å; G699-K703 PolarHBondContact O-N 3.39Å
700E94.2Very high92.2Very high56 Ų5658.8 Ų58.826%0.26228%0.279SS..Hα-helixtrans-64.3-38.8179.8-68.3-58.4142.400111.6L466 L695 K698 K702 K703 L704L466-E700 HydrophobicContact CD1-CB 4.43Å; L695-E700 HydrophobicContact CB-CB 4.45Å; L695-E700 HydrophobicContact CD2-CB 3.96Å; L695-E700 HydrophobicContact CD2-CG 4.23Å; L695-E700 PolarHBondContact O-N 3.48Å; K698-E700 HydrophobicContact CB-CG 4.07Å; K698-E700 PolarHBondContact O-N 2.83Å; E700-K702 VanDerWaalsContact C-N 3.26Å; E700-K702 PolarHBondContact O-N 3.47Å; E700-K703 PolarHBondContact O-N 2.94Å; E700-K703 IonicContact OE1-NZ 2.92Å; E700-K703 PolarHBondContact OE1-NZ 3.43Å; E700-K703 IonicContact OE2-NZ 3.98Å; E700-L704 PolarHBondContact O-N 2.93Å
701L93.8Very high91.8Very high11 Ų1161.2 Ų61.26%0.05829%0.288CS..Hα-helixtrans-60.6-37.2174.5-60.8-178.7000111.7L463 I692 L695 Q696 G699 L704 E705L463-L701 HydrophobicContact CD1-CD2 3.77Å; I692-L701 HydrophobicContact CG2-CD1 4.28Å; L695-L701 HydrophobicContact CB-CD1 4.44Å; L695-L701 HydrophobicContact CB-CD2 4.01Å; L695-L701 HydrophobicContact CB-CG 3.91Å; L695-L701 HydrophobicContact CD1-CD2 4.33Å; L695-L701 PolarHBondContact O-N 3.22Å; Q696-L701 HydrophobicContact CB-CD1 3.91Å; G699-L701 VanDerWaalsContact C-N 3.34Å; G699-L701 PolarHBondContact O-N 3.12Å; L701-L704 PolarHBondContact O-N 2.8Å; L701-E705 PolarHBondContact O-N 2.97Å
702K92.2Very high91.1Very high103 Ų10366 Ų6645%0.44831%0.308SS..Hα-helixtrans-72.2-36.6178.2-170.262.7-175176.60112.1G699 E700 E705 N706G699-K702 PolarHBondContact O-N 3.35Å; G699-K702 VanDerWaalsContact O-N 3.15Å; E700-K702 VanDerWaalsContact C-N 3.26Å; E700-K702 PolarHBondContact O-N 3.47Å; K702-E705 VanDerWaalsContact CD-OE2 3.25Å; K702-E705 WeakPolarHBondContact CD-OE2 3.42Å; K702-E705 IonicContact NZ-OE1 2.99Å; K702-E705 PolarHBondContact NZ-OE1 3.07Å; K702-E705 IonicContact NZ-OE2 3.9Å; K702-E705 PolarHBondContact NZ-OE2 3.11Å; K702-E705 PolarHBondContact O-N 3.41Å; K702-N706 PolarHBondContact O-N 3.17Å
703K94.1Very high89.6Confident120 Ų12066.1 Ų66.152%0.52231%0.309SS..Hα-helixtrans-61.6-45171.8-67.8176.6-170.4167.60111.2G699 E700 N706 K707G699-K703 PolarHBondContact O-N 3.39Å; E700-K703 PolarHBondContact O-N 2.94Å; E700-K703 IonicContact OE1-NZ 2.92Å; E700-K703 PolarHBondContact OE1-NZ 3.43Å; E700-K703 IonicContact OE2-NZ 3.98Å; K703-N706 PolarHBondContact O-N 2.96Å; K703-K707 WeakPolarHBondContact O-CB 3.37Å; K703-K707 PolarHBondContact O-N 3.5Å
704L93.8Very high87.8Confident17 Ų1763.6 Ų63.69%0.08930%0.299CS..Hα-helixtrans-62.2-43175.6-75-173.2000112.4Y459 D462 L466 E700 L701 N706 K707 W708Y459-L704 HydrophobicContact CD2-CB 3.91Å; Y459-L704 HydrophobicContact CE2-CB 3.58Å; D462-L704 HydrophobicContact CB-CD1 4.1Å; D462-L704 HydrophobicContact CB-CD2 3.71Å; L466-L704 HydrophobicContact CD1-CD1 3.45Å; L466-L704 VanDerWaalsContact CD1-CD1 3.45Å; L466-L704 HydrophobicContact CD1-CG 4.08Å; L466-L704 HydrophobicContact CG-CD1 4.48Å; E700-L704 PolarHBondContact O-N 2.93Å; L701-L704 PolarHBondContact O-N 2.8Å; L704-N706 VanDerWaalsContact C-N 3.33Å; L704-N706 PolarHBondContact O-N 3.03Å; L704-K707 HydrophobicContact CD2-CD 4.48Å; L704-K707 PolarHBondContact O-N 3.26Å; L704-W708 VanDerWaalsContact O-CD1 3.25Å; L704-W708 PolarHBondContact O-N 2.93Å; L704-W708 VanDerWaalsContact O-N 3.1Å
705E92.1Very high86Confident48 Ų4863.9 Ų63.922%0.22432%0.319CS..Hα-helixtrans-57.8-48.4175.2-175.3-166.5150.900110.2Y459 M531 L701 K702 K707 W708 W709Y459-E705 HydrophobicContact CE2-CB 4.39Å; M531-E705 HydrophobicContact CE-CB 4.12Å; M531-E705 HydrophobicContact CE-CG 3.85Å; L701-E705 PolarHBondContact O-N 2.97Å; K702-E705 VanDerWaalsContact CD-OE2 3.25Å; K702-E705 WeakPolarHBondContact CD-OE2 3.42Å; K702-E705 IonicContact NZ-OE1 2.99Å; K702-E705 PolarHBondContact NZ-OE1 3.07Å; K702-E705 IonicContact NZ-OE2 3.9Å; K702-E705 PolarHBondContact NZ-OE2 3.11Å; K702-E705 PolarHBondContact O-N 3.41Å; E705-K707 PolarHBondContact O-N 3.29Å; E705-W708 PolarHBondContact O-N 3.06Å; E705-W709 HydrophobicContact CG-CE3 4.43Å; E705-W709 WeakPolarHBondContact O-CB 3.3Å; E705-W709 PolarHBondContact O-N 3.34Å
706N90.7Very high84.7Confident58 Ų5867.1 Ų67.131%0.3133%0.334SS..Hα-helixtrans-60.9-44179.2-73-14.2000112.8K702 K703 L704 W708 Y710 E711K702-N706 PolarHBondContact O-N 3.17Å; K703-N706 PolarHBondContact O-N 2.96Å; L704-N706 VanDerWaalsContact C-N 3.33Å; L704-N706 PolarHBondContact O-N 3.03Å; N706-W708 PolarHBondContact O-N 2.96Å; N706-Y710 HydrophobicContact CB-CD2 4.47Å; N706-Y710 CarbonylContact O-C 3.5Å; N706-Y710 WeakPolarHBondContact O-CA 3.17Å; N706-Y710 PolarHBondContact O-N 3.31Å; N706-E711 PolarHBondContact O-N 3.18Å
707K92.6Very high83.7Confident69 Ų6963.6 Ų63.630%0.332%0.321SS..Iπ-helixtrans-55.4-50.3177.2-180-174.9176-169.70112.1D462 K703 L704 E705 K712D462-K707 IonicContact OD1-NZ 3.54Å; D462-K707 IonicContact OD2-NZ 2.61Å; D462-K707 PolarHBondContact OD2-NZ 3.09Å; K703-K707 WeakPolarHBondContact O-CB 3.37Å; K703-K707 PolarHBondContact O-N 3.5Å; L704-K707 HydrophobicContact CD2-CD 4.48Å; L704-K707 PolarHBondContact O-N 3.26Å; E705-K707 PolarHBondContact O-N 3.29Å; K707-K712 WeakPolarHBondContact O-CB 3.47Å; K707-K712 PolarHBondContact O-N 3.45Å
708W92.2Very high82.1Confident7 Ų763.7 Ų63.73%0.02732%0.319CS..Iπ-helixtrans-86.5-28.2-171.3-71.9106.2000114.6P439 M442 E457 G458 D462 L704 E705 N706 K712P439-W708 HydrophobicContact CB-CB 4.37Å; P439-W708 HydrophobicContact CB-CE3 4.5Å; M442-W708 HydrophobicContact CE-CE3 4.08Å; M442-W708 HydrophobicContact CE-CZ3 3.65Å; E457-W708 HydrophobicContact CB-CH2 3.95Å; E457-W708 HydrophobicContact CG-CH2 4.15Å; G458-W708 VanDerWaalsContact C-CZ2 3.45Å; G458-W708 VanDerWaalsContact CA-CH2 3.4Å; G458-W708 VanDerWaalsContact CA-CZ2 3.43Å; G458-W708 VanDerWaalsContact N-CZ2 3.35Å; D462-W708 WeakPolarHBondContact OD2-CZ2 3.39Å; D462-W708 PolarHBondContact OD2-NE1 3.37Å; L704-W708 VanDerWaalsContact O-CD1 3.25Å; L704-W708 PolarHBondContact O-N 2.93Å; L704-W708 VanDerWaalsContact O-N 3.1Å; E705-W708 PolarHBondContact O-N 3.06Å; N706-W708 PolarHBondContact O-N 2.96Å; W708-K712 HydrophobicContact CD2-CD 4.46Å; W708-K712 HydrophobicContact CE3-CD 3.79Å; W708-K712 HydrophobicContact CH2-CD 4.13Å; W708-K712 HydrophobicContact CZ3-CD 3.61Å
709W89.6Confident79.8Confident6 Ų667.6 Ų67.62%0.02334%0.339CS..Iπ-helixtrans-95.1-34.1178.6-87.7-105.3000114.2P439 F440 Y459 M531 T649 N656 E705 S713P439-W709 HydrophobicContact CG-CD2 4.03Å; P439-W709 HydrophobicContact CG-CE3 3.97Å; P439-W709 HydrophobicContact CG-CH2 3.52Å; P439-W709 HydrophobicContact CG-CZ2 3.56Å; P439-W709 HydrophobicContact CG-CZ3 3.72Å; F440-W709 HydrophobicContact CD1-CH2 4.29Å; F440-W709 AromaticContact CE1-CH2 3.72Å; F440-W709 HydrophobicContact CE1-CH2 3.72Å; F440-W709 HydrophobicContact CE1-CZ2 4.35Å; F440-W709 HydrophobicContact CE2-CH2 4.13Å; F440-W709 HydrophobicContact CE2-CZ2 4.11Å; F440-W709 AromaticContact CZ-CH2 3.61Å; F440-W709 HydrophobicContact CZ-CH2 3.61Å; F440-W709 AromaticContact CZ-CZ2 3.78Å; F440-W709 HydrophobicContact CZ-CZ2 3.78Å; Y459-W709 AromaticContact CD2-CZ3 3.72Å; Y459-W709 HydrophobicContact CD2-CZ3 3.72Å; Y459-W709 HydrophobicContact CE2-CZ3 4.47Å; Y459-W709 HydrophobicContact CG-CH2 4.45Å; Y459-W709 AromaticContact CG-CZ3 3.92Å; Y459-W709 HydrophobicContact CG-CZ3 3.92Å; M531-W709 HydrophobicContact CE-CH2 4.15Å; M531-W709 HydrophobicContact CE-CZ3 4.09Å; M531-W709 HydrophobicContact SD-CH2 4.24Å; T649-W709 HydrophobicContact CG2-CZ2 4.41Å; T649-W709 PolarHBondContact O-NE1 3.31Å; N656-W709 PolarHBondContact ND2-O 2.86Å; E705-W709 HydrophobicContact CG-CE3 4.43Å; E705-W709 WeakPolarHBondContact O-CB 3.3Å; E705-W709 PolarHBondContact O-N 3.34Å; W709-S713 VanDerWaalsContact O-CB 3.3Å; W709-S713 WeakPolarHBondContact O-CB 3.39Å; W709-S713 PolarHBondContact O-OG 3.1Å
710Y85.1Confident77.4Confident95 Ų9569.7 Ų69.737%0.37336%0.361SS..Iπ-helixtrans-120.2-35.5-170.8-54.5-64.9000114.7N656 N706 G714N656-Y710 WeakPolarHBondContact ND2-CD1 3.46Å; N656-Y710 WeakPolarHBondContact ND2-CE1 3.48Å; N706-Y710 HydrophobicContact CB-CD2 4.47Å; N706-Y710 CarbonylContact O-C 3.5Å; N706-Y710 WeakPolarHBondContact O-CA 3.17Å; N706-Y710 PolarHBondContact O-N 3.31Å; Y710-G714 WeakPolarHBondContact O-CA 3.45Å; Y710-G714 PolarHBondContact O-N 2.66Å
711E84.3Confident74.5Confident136 Ų13672.8 Ų72.864%0.63639%0.388SS*.Iπ-helixtrans-82.5-55-177.1-64.1173.7-178.300111.3N706 S713 G714N706-E711 PolarHBondContact O-N 3.18Å; E711-S713 VanDerWaalsContact C-N 3.26Å; E711-S713 PolarHBondContact O-N 2.98Å; E711-G714 PolarHBondContact O-N 3.47Å
712K78.3Confident71.5Confident106 Ų10677.9 Ų77.946%0.46142%0.42SS..THydrogen-bonded Turntrans-65.7-28.8176.5-80.1-167.1164.4-168.20112.7E457 K707 W708E457-K712 IonicContact OE2-NZ 2.88Å; E457-K712 PolarHBondContact OE2-NZ 3.17Å; K707-K712 WeakPolarHBondContact O-CB 3.47Å; K707-K712 PolarHBondContact O-N 3.45Å; W708-K712 HydrophobicContact CD2-CD 4.46Å; W708-K712 HydrophobicContact CE3-CD 3.79Å; W708-K712 HydrophobicContact CH2-CD 4.13Å; W708-K712 HydrophobicContact CZ3-CD 3.61Å
713S61.9Low68.6Low1 Ų177.9 Ų77.91%0.00744%0.439CS..THydrogen-bonded Turntrans-92.3-29.2176.6-54.50000112.9W709 E711 G715 Q716W709-S713 VanDerWaalsContact O-CB 3.3Å; W709-S713 WeakPolarHBondContact O-CB 3.39Å; W709-S713 PolarHBondContact O-OG 3.1Å; E711-S713 VanDerWaalsContact C-N 3.26Å; E711-S713 PolarHBondContact O-N 2.98Å; S713-G715 PolarHBondContact O-N 3.3Å; S713-G715 VanDerWaalsContact O-N 3.07Å; S713-Q716 VanDerWaalsContact O-CB 3.28Å; S713-Q716 WeakPolarHBondContact O-CB 3.28Å; S713-Q716 PolarHBondContact O-N 3.37Å
714G53.1Low65.8Low14 Ų1476.8 Ų76.814%0.14444%0.443CS..THydrogen-bonded Turntrans-72.6-3.1-16800000116Y710 E711 Q716 K718Y710-G714 WeakPolarHBondContact O-CA 3.45Å; Y710-G714 PolarHBondContact O-N 2.66Å; E711-G714 PolarHBondContact O-N 3.47Å; G714-Q716 VanDerWaalsContact C-N 3.31Å; G714-K718 WeakPolarHBondContact O-CB 3.28Å; G714-K718 WeakPolarHBondContact O-CG 3.38Å
715G54.8Low62.8Low69 Ų6979 Ų7971%0.71146%0.46SS*.THydrogen-bonded Turntrans-75.4-18.1162.400000113.6S713S713-G715 PolarHBondContact O-N 3.3Å; S713-G715 VanDerWaalsContact O-N 3.07Å
716Q67.1Low60.2Low70 Ų7080.5 Ų80.533%0.32748%0.48SS..SBendtrans-85.9-29.8-171.3-61.9-171.92.700113.6M658 S713 G714M658-Q716 WeakPolarHBondContact CE-O 3.47Å; M658-Q716 HydrophobicContact CG-CB 4.16Å; M658-Q716 WeakPolarHBondContact CG-O 3.47Å; S713-Q716 VanDerWaalsContact O-CB 3.28Å; S713-Q716 WeakPolarHBondContact O-CB 3.28Å; S713-Q716 PolarHBondContact O-N 3.37Å; G714-Q716 VanDerWaalsContact C-N 3.31Å
717C72.1Confident58Low36 Ų3685.8 Ų85.824%0.24350%0.502CS..SBendtrans-119.42.3-177.7-66.20000115.3N656 R657 C660N656-C717 PolarHBondContact O-SG 2.93Å; R657-C717 PolarHBondContact O-SG 3.45Å; C660-C717 HydrophobicContact CB-CB 3.87Å; C660-C717 WeakPolarHBondContact CB-SG 3.3Å; C660-C717 WeakPolarHBondContact SG-CA 3.48Å; C660-C717 WeakPolarHBondContact SG-CB 3.37Å; C660-C717 CovalentContact SG-SG 2.02Å; C660-C717 PolarHBondContact SG-SG 2.87Å
718K57.8Low55.8Low171 Ų17186 Ų8674%0.74351%0.509SS*.  trans-102.973.1175.9-68.6-174.7175.7177.90112.1G714G714-K718 WeakPolarHBondContact O-CB 3.28Å; G714-K718 WeakPolarHBondContact O-CG 3.38Å
719Q45.3Very low53.7Low200 Ų20088 Ų8894%0.93553%0.525SS*.SBendtrans-159.1105.5155.8-97.5176.222.700106.5
720G39.7Very low51.9Low71 Ų7192.4 Ų92.473%0.73255%0.549SS*.SBendtrans148.2-14.7-179.600000115.1
721S34.1Very low50.5Low120 Ų12090.8 Ų90.884%0.83956%0.555SS**  trans-99.955.3169-46.10000109.9A723S721-A723 PolarHBondContact O-N 2.96Å
722T31.1Very low49.2Very low118 Ų11892.1 Ų92.172%0.72456%0.555SS**  trans-63.4124.6154.418.50000105.5V724T722-V724 PolarHBondContact O-N 3.13Å
723A30.8Very low48.3Very low104 Ų10491.6 Ų91.686%0.8656%0.557SS**  trans-55.183.1159.300000107.6S721 S725S721-A723 PolarHBondContact O-N 2.96Å; A723-S725 PolarHBondContact O-N 3.26Å; A723-S725 VanDerWaalsContact O-N 3.15Å
724V34.5Very low48.3Very low97 Ų9796.2 Ų96.259%0.58858%0.582SS**  trans-66.4112.2160.3177.50000103.1T722 A726 T728T722-V724 PolarHBondContact O-N 3.13Å; V724-A726 PolarHBondContact O-N 3.47Å; V724-T728 WeakPolarHBondContact CG1-OG1 3.25Å
725S31.8Very low49Very low64 Ų64100.9 Ų100.945%0.44860%0.602SS.*  trans-36.6125.2177.148.20000109.6A723 H727 T728A723-S725 PolarHBondContact O-N 3.26Å; A723-S725 VanDerWaalsContact O-N 3.15Å; S725-H727 PolarHBondContact O-N 3.03Å; S725-T728 PolarHBondContact O-N 3.29Å; S725-T728 PolarHBondContact O-OG1 2.86Å; S725-T728 VanDerWaalsContact O-OG1 3.08Å; S725-T728 PolarHBondContact OG-OG1 3.44Å
726A37Very low49.5Very low78 Ų78101.4 Ų101.465%0.64559%0.589SS**THydrogen-bonded Turntrans-55.1-4.6176.200000113.6V724V724-A726 PolarHBondContact O-N 3.47Å
727H43.9Very low49.4Very low170 Ų170102.5 Ų102.579%0.78759%0.591SS**THydrogen-bonded Turntrans-91.8-11.6172.9-74.3-63.2000115.6S725S725-H727 PolarHBondContact O-N 3.03Å
728T46.3Very low49.2Very low73 Ų73107.3 Ų107.345%0.44861%0.608SS.*THydrogen-bonded Turntrans-103.6-20.7179.646.30000114.3V724 S725 D730V724-T728 WeakPolarHBondContact CG1-OG1 3.25Å; S725-T728 PolarHBondContact O-N 3.29Å; S725-T728 PolarHBondContact O-OG1 2.86Å; S725-T728 VanDerWaalsContact O-OG1 3.08Å; S725-T728 PolarHBondContact OG-OG1 3.44Å; T728-D730 VanDerWaalsContact C-N 3.29Å; T728-D730 PolarHBondContact O-N 3.4Å
729S48.9Very low49.9Very low49 Ų49101.5 Ų101.534%0.34359%0.592SS.*Hα-helixtrans-64.2-33.6175.353.10000113.1A731 Y732 N733S729-A731 PolarHBondContact O-N 2.66Å; S729-Y732 PolarHBondContact O-N 3.35Å; S729-N733 WeakPolarHBondContact O-CB 3.34Å; S729-N733 PolarHBondContact O-N 3.19Å; S729-N733 PolarHBondContact O-ND2 3.06Å
730D51.4Low50.9Low99 Ų9995 Ų9553%0.52956%0.561SS.*Hα-helixtrans-71.4-34.1-174.1-64.6-7.4000111.7T728 N734T728-D730 VanDerWaalsContact C-N 3.29Å; T728-D730 PolarHBondContact O-N 3.4Å; D730-N734 PolarHBondContact O-N 2.96Å
731A56.3Low52.4Low60 Ų6094.9 Ų94.950%0.49655%0.545SS..Hα-helixtrans-70.8-39.7176.500000112.6S729 N734 I735S729-A731 PolarHBondContact O-N 2.66Å; A731-N734 PolarHBondContact O-N 3.15Å; A731-I735 PolarHBondContact O-N 2.81Å
732Y56.1Low54.4Low165 Ų16597 Ų9765%0.64754%0.536SS*.Hα-helixtrans-72.2-35.4179.7-136.7-86.6000112.1S729 I735 N736S729-Y732 PolarHBondContact O-N 3.35Å; Y732-I735 PolarHBondContact O-N 3.34Å; Y732-N736 PolarHBondContact O-N 3.3Å; Y732-N736 VanDerWaalsContact O-N 3.12Å
733N60.1Low56.5Low94 Ų9495.2 Ų95.250%0.50353%0.525SS..Hα-helixtrans-65.3-39174.3-77.6-19.9000111.9S729 N736 Y737S729-N733 WeakPolarHBondContact O-CB 3.34Å; S729-N733 PolarHBondContact O-N 3.19Å; S729-N733 PolarHBondContact O-ND2 3.06Å; N733-N736 PolarHBondContact O-N 3.34Å; N733-Y737 WeakPolarHBondContact O-CB 3.3Å; N733-Y737 PolarHBondContact O-N 3.24Å
734N61.5Low58.3Low99 Ų9993.3 Ų93.353%0.52950%0.5SS..Hα-helixtrans-61.4-45.7174.2-81.4-21000112.2D730 A731 N736 Y737 F738D730-N734 PolarHBondContact O-N 2.96Å; A731-N734 PolarHBondContact O-N 3.15Å; N734-N736 PolarHBondContact O-N 2.92Å; N734-Y737 VanDerWaalsContact O-CB 3.32Å; N734-Y737 WeakPolarHBondContact O-CB 3.43Å; N734-Y737 PolarHBondContact O-N 3.16Å; N734-F738 WeakPolarHBondContact O-CD2 3.31Å; N734-F738 PolarHBondContact O-N 3.41Å
735I69Low60Low111 Ų11191.3 Ų91.357%0.56949%0.49SS*.Hα-helixtrans-62.3-43.8178.7-74.5167.9000111.8A731 Y732 Y737 F738 A739A731-I735 PolarHBondContact O-N 2.81Å; Y732-I735 PolarHBondContact O-N 3.34Å; I735-Y737 VanDerWaalsContact C-N 3.27Å; I735-Y737 PolarHBondContact O-N 3.19Å; I735-F738 PolarHBondContact O-N 3.08Å; I735-A739 WeakPolarHBondContact O-CB 3.4Å; I735-A739 PolarHBondContact O-N 2.97Å
736N66Low62.1Low81 Ų8194.2 Ų94.243%0.43350%0.496SS..Hα-helixtrans-64.3-34.1176.1-86.9-25.1000112.4Y732 N733 N734 K740Y732-N736 PolarHBondContact O-N 3.3Å; Y732-N736 VanDerWaalsContact O-N 3.12Å; N733-N736 PolarHBondContact O-N 3.34Å; N734-N736 PolarHBondContact O-N 2.92Å; N736-K740 VanDerWaalsContact O-CG 3.3Å; N736-K740 WeakPolarHBondContact O-CG 3.28Å; N736-K740 PolarHBondContact O-N 3.05Å; N736-K740 VanDerWaalsContact O-N 3.15Å
737Y64.2Low63.9Low93 Ų9396.6 Ų96.637%0.36549%0.494SS..Hα-helixtrans-62.7-51173.5-122.2-99000111.5S552 F553 N733 N734 I735 A739 K740 V741S552-Y737 PolarHBondContact O-OH 2.87Å; S552-Y737 WeakPolarHBondContact OG-CE2 3.28Å; S552-Y737 PolarHBondContact OG-OH 3.12Å; F553-Y737 HydrophobicContact CB-CD1 4.47Å; F553-Y737 HydrophobicContact CB-CE1 3.96Å; N733-Y737 WeakPolarHBondContact O-CB 3.3Å; N733-Y737 PolarHBondContact O-N 3.24Å; N734-Y737 VanDerWaalsContact O-CB 3.32Å; N734-Y737 WeakPolarHBondContact O-CB 3.43Å; N734-Y737 PolarHBondContact O-N 3.16Å; I735-Y737 VanDerWaalsContact C-N 3.27Å; I735-Y737 PolarHBondContact O-N 3.19Å; Y737-A739 PolarHBondContact O-N 2.8Å; Y737-K740 PolarHBondContact O-N 3.12Å; Y737-V741 WeakPolarHBondContact O-CG2 3.21Å; Y737-V741 PolarHBondContact O-N 2.9Å; Y737-V741 VanDerWaalsContact O-N 3.15Å
738F68.3Low65.3Low136 Ų13692 Ų9260%0.59648%0.478SS*.Hα-helixtrans-64.7-39.5178.3-78.8-73.1000112.4N734 I735 K740 V741 Y742N734-F738 WeakPolarHBondContact O-CD2 3.31Å; N734-F738 PolarHBondContact O-N 3.41Å; I735-F738 PolarHBondContact O-N 3.08Å; F738-K740 VanDerWaalsContact C-N 3.29Å; F738-K740 PolarHBondContact O-N 3.24Å; F738-V741 PolarHBondContact O-N 3.32Å; F738-Y742 WeakPolarHBondContact O-CD2 3.01Å; F738-Y742 PolarHBondContact O-N 3.26Å
739A71.6Confident66.6Low50 Ų5092.1 Ų92.141%0.41348%0.481SS..Hα-helixtrans-61.8-36.517700000112.5I735 Y737 Y742 T743I735-A739 WeakPolarHBondContact O-CB 3.4Å; I735-A739 PolarHBondContact O-N 2.97Å; Y737-A739 PolarHBondContact O-N 2.8Å; A739-Y742 PolarHBondContact O-N 3.33Å; A739-T743 PolarHBondContact O-N 2.99Å; A739-T743 PolarHBondContact O-OG1 2.93Å
740K67.1Low67.8Low64 Ų6494 Ų9428%0.27849%0.486SS..Hα-helixtrans-69.4-40.7175.7-74.6178.9-175.1-171.60112.6S548 N736 Y737 F738 Y742 T743 L744S548-K740 VanDerWaalsContact CA-NZ 3.34Å; S548-K740 PolarHBondContact O-NZ 3.35Å; N736-K740 VanDerWaalsContact O-CG 3.3Å; N736-K740 WeakPolarHBondContact O-CG 3.28Å; N736-K740 PolarHBondContact O-N 3.05Å; N736-K740 VanDerWaalsContact O-N 3.15Å; Y737-K740 PolarHBondContact O-N 3.12Å; F738-K740 VanDerWaalsContact C-N 3.29Å; F738-K740 PolarHBondContact O-N 3.24Å; K740-Y742 VanDerWaalsContact C-N 3.31Å; K740-Y742 PolarHBondContact O-N 2.89Å; K740-T743 VanDerWaalsContact CA-OG1 3.3Å; K740-T743 WeakPolarHBondContact CA-OG1 3.23Å; K740-T743 PolarHBondContact O-N 3.3Å; K740-T743 PolarHBondContact O-OG1 3.32Å; K740-L744 PolarHBondContact O-N 3.41Å
741V70.7Confident68.7Low68 Ų6892 Ų9241%0.41248%0.48SS..Hα-helixtrans-62.3-42.3173.2175.80000110.3F553 Y737 F738 L744 S745F553-V741 HydrophobicContact CB-CG2 4.37Å; Y737-V741 WeakPolarHBondContact O-CG2 3.21Å; Y737-V741 PolarHBondContact O-N 2.9Å; Y737-V741 VanDerWaalsContact O-N 3.15Å; F738-V741 PolarHBondContact O-N 3.32Å; V741-L744 PolarHBondContact O-N 3.06Å; V741-S745 PolarHBondContact O-N 3.17Å
742Y75.9Confident69.1Low165 Ų16594 Ų9465%0.64748%0.482SS*.Hα-helixtrans-63.4-44175.9-97.5-83000112.8F738 A739 K740 L744 S745 H746F738-Y742 WeakPolarHBondContact O-CD2 3.01Å; F738-Y742 PolarHBondContact O-N 3.26Å; A739-Y742 PolarHBondContact O-N 3.33Å; K740-Y742 VanDerWaalsContact C-N 3.31Å; K740-Y742 PolarHBondContact O-N 2.89Å; Y742-L744 PolarHBondContact O-N 3.47Å; Y742-S745 PolarHBondContact O-N 3.35Å; Y742-S745 PolarHBondContact O-OG 2.81Å; Y742-H746 PolarHBondContact O-N 2.89Å
743T75.1Confident69.6Low80 Ų8089.2 Ų89.249%0.49147%0.473SS..Hα-helixtrans-65.6-37.6177.6240000112.4A739 K740 H746 H747A739-T743 PolarHBondContact O-N 2.99Å; A739-T743 PolarHBondContact O-OG1 2.93Å; K740-T743 VanDerWaalsContact CA-OG1 3.3Å; K740-T743 WeakPolarHBondContact CA-OG1 3.23Å; K740-T743 PolarHBondContact O-N 3.3Å; K740-T743 PolarHBondContact O-OG1 3.32Å; T743-H746 PolarHBondContact O-N 3.17Å; T743-H747 PolarHBondContact O-CD2 3.45Å; T743-H747 PolarHBondContact O-N 2.87Å
744L69.9Low70.1Confident63 Ų6390.9 Ų90.933%0.3348%0.476SS..Hα-helixtrans-63.2-44.5173.1-142.493.3000110.8F553 K740 V741 Y742 H746 H747 V748F553-L744 HydrophobicContact CE1-CD2 4.06Å; F553-L744 HydrophobicContact CZ-CD2 3.79Å; K740-L744 PolarHBondContact O-N 3.41Å; V741-L744 PolarHBondContact O-N 3.06Å; Y742-L744 PolarHBondContact O-N 3.47Å; L744-H746 VanDerWaalsContact C-N 3.3Å; L744-H746 PolarHBondContact O-N 2.82Å; L744-H747 PolarHBondContact O-N 3.18Å; L744-V748 VanDerWaalsContact O-CG2 3.28Å; L744-V748 WeakPolarHBondContact O-CG2 3.49Å; L744-V748 PolarHBondContact O-N 2.95Å
745S69.3Low70Confident55 Ų5591.5 Ų91.539%0.38548%0.479SS..Hα-helixtrans-62.6-36.5177.5780000112.7V741 Y742 C749V741-S745 PolarHBondContact O-N 3.17Å; Y742-S745 PolarHBondContact O-N 3.35Å; Y742-S745 PolarHBondContact O-OG 2.81Å; S745-C749 WeakPolarHBondContact O-CB 3.49Å; S745-C749 PolarHBondContact O-N 2.91Å; S745-C749 PolarHBondContact O-SG 2.92Å
746H75.7Confident69.4Low125 Ų12591.1 Ų91.158%0.57948%0.482SS*.Hα-helixtrans-71.1-40.8177.7-126.357.3000111.7Y742 T743 L744 C749 L750Y742-H746 PolarHBondContact O-N 2.89Å; T743-H746 PolarHBondContact O-N 3.17Å; L744-H746 VanDerWaalsContact C-N 3.3Å; L744-H746 PolarHBondContact O-N 2.82Å; H746-C749 PolarHBondContact O-N 3.05Å; H746-L750 WeakPolarHBondContact O-CB 3.46Å; H746-L750 PolarHBondContact O-N 3.37Å
747H75Confident68.9Low128 Ų12897.7 Ų97.759%0.59350%0.5SS*.Hα-helixtrans-67-37.4175.2-88.4-58.8000112.6T743 L744 L750 S751T743-H747 PolarHBondContact O-CD2 3.45Å; T743-H747 PolarHBondContact O-N 2.87Å; L744-H747 PolarHBondContact O-N 3.18Å; H747-L750 PolarHBondContact O-N 3.35Å; H747-S751 WeakPolarHBondContact O-CB 3.28Å; H747-S751 PolarHBondContact O-N 2.98Å; H747-S751 PolarHBondContact O-OG 3.25Å; H747-S751 VanDerWaalsContact O-OG 3.07Å
748V73.9Confident68.4Low73 Ų73101.8 Ų101.844%0.44252%0.52SS..Hα-helixtrans-65.5-41.8173.5172.40000110.7L744 S751 L752L744-V748 VanDerWaalsContact O-CG2 3.28Å; L744-V748 WeakPolarHBondContact O-CG2 3.49Å; L744-V748 PolarHBondContact O-N 2.95Å; V748-S751 PolarHBondContact O-OG 3.47Å; V748-S751 VanDerWaalsContact O-OG 3.07Å; V748-L752 HydrophobicContact CG1-CD1 3.8Å; V748-L752 WeakPolarHBondContact O-CB 3.21Å; V748-L752 WeakPolarHBondContact O-CD1 3.3Å; V748-L752 WeakPolarHBondContact O-CG 3.42Å; V748-L752 PolarHBondContact O-N 2.72Å
749C72.4Confident67.2Low76 Ų76105 Ų10551%0.51454%0.537SS..Hα-helixtrans-64.4-41.3174-73.50000112.5S745 H746 S753S745-C749 WeakPolarHBondContact O-CB 3.49Å; S745-C749 PolarHBondContact O-N 2.91Å; S745-C749 PolarHBondContact O-SG 2.92Å; H746-C749 PolarHBondContact O-N 3.05Å; C749-S753 WeakPolarHBondContact O-CB 3.33Å; C749-S753 PolarHBondContact O-N 3.41Å; C749-S753 PolarHBondContact O-OG 3.39Å
750L73.8Confident67Low88 Ų88107.8 Ų107.846%0.46154%0.543SS..Hα-helixtrans-69-38.5178.4-87.6155.4000112.8H746 H747 S753 F754H746-L750 WeakPolarHBondContact O-CB 3.46Å; H746-L750 PolarHBondContact O-N 3.37Å; H747-L750 PolarHBondContact O-N 3.35Å; L750-S753 WeakPolarHBondContact O-CB 3.4Å; L750-S753 PolarHBondContact O-N 3.03Å; L750-F754 PolarHBondContact O-N 3.32Å
751S71.2Confident67Low58 Ų58110.1 Ų110.141%0.40656%0.557SS.*Hα-helixtrans-70.3-40.5176.463.70000111.4H747 V748 S753 F754 L755H747-S751 WeakPolarHBondContact O-CB 3.28Å; H747-S751 PolarHBondContact O-N 2.98Å; H747-S751 PolarHBondContact O-OG 3.25Å; H747-S751 VanDerWaalsContact O-OG 3.07Å; V748-S751 PolarHBondContact O-OG 3.47Å; V748-S751 VanDerWaalsContact O-OG 3.07Å; S751-S753 VanDerWaalsContact C-N 3.32Å; S751-S753 PolarHBondContact O-N 2.77Å; S751-F754 PolarHBondContact O-N 3.05Å; S751-L755 WeakPolarHBondContact O-CB 3.37Å; S751-L755 PolarHBondContact O-N 3.26Å
752L64.2Low66.8Low102 Ų102112.4 Ų112.453%0.53457%0.565SS.*Hα-helixtrans-60.4-42.3170.3-84.6155.4000111.4V748 F754 L755 T756V748-L752 HydrophobicContact CG1-CD1 3.8Å; V748-L752 WeakPolarHBondContact O-CB 3.21Å; V748-L752 WeakPolarHBondContact O-CD1 3.3Å; V748-L752 WeakPolarHBondContact O-CG 3.42Å; V748-L752 PolarHBondContact O-N 2.72Å; L752-F754 VanDerWaalsContact C-N 3.32Å; L752-F754 PolarHBondContact O-N 3.14Å; L752-L755 PolarHBondContact O-N 3.11Å; L752-T756 PolarHBondContact O-N 3.24Å; L752-T756 PolarHBondContact O-OG1 2.79Å
753S67.6Low66.3Low65 Ų65109.4 Ų109.446%0.45556%0.56SS.*Hα-helixtrans-63.2-36175.9-530000112.9C749 L750 S751 T756 R757C749-S753 WeakPolarHBondContact O-CB 3.33Å; C749-S753 PolarHBondContact O-N 3.41Å; C749-S753 PolarHBondContact O-OG 3.39Å; L750-S753 WeakPolarHBondContact O-CB 3.4Å; L750-S753 PolarHBondContact O-N 3.03Å; S751-S753 VanDerWaalsContact C-N 3.32Å; S751-S753 PolarHBondContact O-N 2.77Å; S753-T756 WeakPolarHBondContact CA-OG1 3.29Å; S753-T756 PolarHBondContact O-OG1 3.18Å; S753-R757 PolarHBondContact O-N 2.73Å
754F69.7Low65.7Low129 Ų129111.2 Ų111.257%0.56657%0.565SS**Hα-helixtrans-75.8-37.1177.6-108.6-90.5000112.3L750 S751 L752 R757 F758L750-F754 PolarHBondContact O-N 3.32Å; S751-F754 PolarHBondContact O-N 3.05Å; L752-F754 VanDerWaalsContact C-N 3.32Å; L752-F754 PolarHBondContact O-N 3.14Å; F754-R757 PolarHBondContact O-N 3.15Å; F754-R757 VanDerWaalsContact O-N 3.08Å; F754-F758 HydrophobicContact CD1-CD2 4.5Å; F754-F758 HydrophobicContact CD1-CE2 4.48Å; F754-F758 PolarHBondContact O-N 3.32Å
755L59.1Low65.4Low112 Ų112114.4 Ų114.459%0.58658%0.581SS**Hα-helixtrans-65.5-40.5174.8-83.6157.4000111.1S751 L752 R757 F758 H759S751-L755 WeakPolarHBondContact O-CB 3.37Å; S751-L755 PolarHBondContact O-N 3.26Å; L752-L755 PolarHBondContact O-N 3.11Å; L755-R757 PolarHBondContact O-N 2.78Å; L755-R757 VanDerWaalsContact O-N 3.12Å; L755-F758 PolarHBondContact O-N 3.19Å; L755-F758 VanDerWaalsContact O-N 3.12Å; L755-H759 PolarHBondContact O-N 3.23Å; L755-H759 VanDerWaalsContact O-N 3.07Å
756T55.8Low65.2Low103 Ų103118.6 Ų118.663%0.63260%0.595SS**THydrogen-bonded Turntrans-69.9-1.1171.550.40000114.5L752 S753L752-T756 PolarHBondContact O-N 3.24Å; L752-T756 PolarHBondContact O-OG1 2.79Å; S753-T756 WeakPolarHBondContact CA-OG1 3.29Å; S753-T756 PolarHBondContact O-OG1 3.18Å
757R55.3Low64.3Low218 Ų218118.2 Ų118.282%0.82360%0.596SS**THydrogen-bonded Turntrans-107.3-7.5171.8-103.7-175.5178.2-174.40.2113.3S753 F754 L755S753-R757 PolarHBondContact O-N 2.73Å; F754-R757 PolarHBondContact O-N 3.15Å; F754-R757 VanDerWaalsContact O-N 3.08Å; L755-R757 PolarHBondContact O-N 2.78Å; L755-R757 VanDerWaalsContact O-N 3.12Å
758F54.2Low63.5Low179 Ų179117.3 Ų117.379%0.78560%0.596SS**THydrogen-bonded Turntrans-113.5-11.9178-97.2-83.6000113.5F754 L755F754-F758 HydrophobicContact CD1-CD2 4.5Å; F754-F758 HydrophobicContact CD1-CE2 4.48Å; F754-F758 PolarHBondContact O-N 3.32Å; L755-F758 PolarHBondContact O-N 3.19Å; L755-F758 VanDerWaalsContact O-N 3.12Å
759H44.1Very low62.5Low205 Ų205121.4 Ų121.495%0.94961%0.61SS**  trans-115.40162.1-101.1-74.6000108.5L755L755-H759 PolarHBondContact O-N 3.23Å; L755-H759 VanDerWaalsContact O-N 3.07Å

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