A0A077YY76_TRITR Loading...

WD40 domain containing protein

AlphaFold DB , UniProt , Accession A0A077YY76, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 539 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
1M82.2Confident83.3Confident44 Ų4441.9 Ų41.922%0.21721%0.214CC..  01690-79.8-168.4-76.600107.7G15 T261 C275 D276 K279 C280M1-G15 CarbonylContact C-O 3.57Å; M1-G15 WeakPolarHBondContact CA-O 3.42Å; M1-G15 WeakPolarHBondContact CB-O 3.38Å; M1-T261 PolarHBondContact N-OG1 3.41Å; M1-T261 PolarHBondContact O-OG1 3.42Å; M1-C275 HydrophobicContact CB-CB 4.05Å; M1-C275 WeakPolarHBondContact CB-SG 3.48Å; M1-C275 HydrophobicContact CE-CB 3.76Å; M1-C275 HydrophobicContact SD-CB 4.46Å; M1-D276 WeakPolarHBondContact CE-O 3.39Å; M1-K279 VanDerWaalsContact SD-CA 3.58Å; M1-K279 HydrophobicContact SD-CB 4.33Å; M1-C280 WeakPolarHBondContact CE-O 3.16Å
2A89.1Confident84Confident6 Ų638.7 Ų38.75%0.0520%0.197CC..EExtended strand (participates in β ladder)trans-124.8149176.200000109.8T14 G15 I44 I47A2-T14 CarbonylContact O-C 3.51Å; A2-T14 WeakPolarHBondContact O-CA 3.43Å; A2-G15 PolarHBondContact N-O 3.48Å; A2-G15 PolarHBondContact O-N 2.81Å; A2-I44 HydrophobicContact CB-CG2 4.3Å; A2-I47 HydrophobicContact CB-CB 4.42Å; A2-I47 HydrophobicContact CB-CD1 4.1Å; A2-I47 HydrophobicContact CB-CG1 3.85Å
3L92.6Very high84.8Confident16 Ų1635.7 Ų35.78%0.08418%0.182CC..EExtended strand (participates in β ladder)trans-146.5154.4172.561.682.9000110.4L12 A13 T14 A262 A273 C275L3-L12 HydrophobicContact CB-CD1 4.25Å; L3-A13 CarbonylContact C-O 3.53Å; L3-A13 WeakPolarHBondContact CA-O 3.33Å; L3-T14 HydrophobicContact CB-CG2 4.32Å; L3-A262 HydrophobicContact CD2-CB 4.32Å; L3-A262 HydrophobicContact CG-CB 4.04Å; L3-A273 HydrophobicContact CD1-CB 4.43Å; L3-A273 HydrophobicContact CD2-CB 4.2Å; L3-C275 HydrophobicContact CD2-CB 3.84Å
4A93.7Very high85.4Confident10 Ų1033.9 Ų33.98%0.08317%0.173CC..EExtended strand (participates in β ladder)trans-155.5141.7173.400000109.4A13 I47 L49A4-A13 PolarHBondContact N-O 3.48Å; A4-A13 PolarHBondContact O-N 2.97Å; A4-I47 HydrophobicContact CB-CB 4.25Å; A4-I47 HydrophobicContact CB-CG2 3.88Å; A4-L49 HydrophobicContact CB-CD1 3.84Å
5W90.3Very high85.8Confident16 Ų1631.9 Ų31.96%0.06117%0.165CC..EExtended strand (participates in β ladder)trans-92.5149.9171.7-72.989.7000110.6L12 I26 S264 W265 N266 I271 A273 L283W5-L12 HydrophobicContact CD2-CB 4.23Å; W5-L12 HydrophobicContact CD2-CD1 3.97Å; W5-L12 HydrophobicContact CE3-CB 4.1Å; W5-L12 HydrophobicContact CG-CD1 4.07Å; W5-L12 HydrophobicContact CH2-CB 4.35Å; W5-L12 HydrophobicContact CZ2-CB 4.46Å; W5-L12 HydrophobicContact CZ2-CD1 4.38Å; W5-L12 HydrophobicContact CZ2-CD2 4.38Å; W5-L12 HydrophobicContact CZ3-CB 4.16Å; W5-I26 HydrophobicContact CH2-CB 3.87Å; W5-I26 HydrophobicContact CH2-CG1 4.03Å; W5-I26 HydrophobicContact CH2-CG2 3.89Å; W5-I26 HydrophobicContact CZ3-CB 3.99Å; W5-I26 HydrophobicContact CZ3-CG1 4.22Å; W5-I26 HydrophobicContact CZ3-CG2 4.46Å; W5-S264 PolarHBondContact NE1-O 2.63Å; W5-W265 VanDerWaalsContact CG-O 3.3Å; W5-N266 HydrophobicContact CD2-CB 3.66Å; W5-N266 HydrophobicContact CE3-CB 3.61Å; W5-N266 HydrophobicContact CG-CB 4.26Å; W5-N266 HydrophobicContact CH2-CB 3.97Å; W5-N266 HydrophobicContact CZ2-CB 4.01Å; W5-N266 HydrophobicContact CZ3-CB 3.77Å; W5-I271 HydrophobicContact CH2-CB 4.47Å; W5-I271 HydrophobicContact CH2-CG2 4.21Å; W5-I271 HydrophobicContact CZ2-CB 4.35Å; W5-I271 HydrophobicContact CZ2-CG2 3.93Å; W5-A273 HydrophobicContact CZ2-CB 3.94Å; W5-L283 HydrophobicContact CH2-CD2 4.49Å; W5-L283 HydrophobicContact CZ2-CD2 4.05Å
6A88.7Confident86.1Confident2 Ų230.1 Ų30.12%0.01716%0.157CC..  trans-65.1154.4163.400000111R9 L11 L49 D53A6-R9 HydrophobicContact CB-CB 3.98Å; A6-L11 HydrophobicContact CB-CB 3.8Å; A6-L11 PolarHBondContact N-O 3.42Å; A6-L49 HydrophobicContact CB-CD2 3.83Å; A6-D53 WeakPolarHBondContact CA-OD1 3.31Å; A6-D53 HydrophobicContact CB-CB 4.29Å; A6-D53 WeakPolarHBondContact CB-OD1 3.46Å
7H76.9Confident86.4Confident91 Ų9132.2 Ų32.242%0.42118%0.179SC..SBendtrans-81.7-28.9-174.9-59.187.4000112.8L49 S50 D53 A267H7-L49 PolarHBondContact CE1-O 3.18Å; H7-S50 PolarHBondContact ND1-O 2.84Å; H7-D53 IonicContact CG-OD1 3.69Å; H7-D53 PolarHBondContact N-OD1 2.87Å; H7-D53 PolarHBondContact N-OD2 2.95Å; H7-D53 IonicContact ND1-OD1 3.54Å; H7-D53 PolarHBondContact ND1-OD1 3.13Å; H7-A267 WeakPolarHBondContact O-CB 3.39Å
8S68.8Low86.5Confident87 Ų8733.6 Ų33.661%0.60819%0.187SC*.SBendtrans-122.1-13.9-175.5670000113.8D53S8-D53 WeakPolarHBondContact CB-OD2 3.5Å; S8-D53 PolarHBondContact N-OD2 2.83Å; S8-D53 PolarHBondContact OG-OD2 3.34Å
9R65.7Low86.9Confident125 Ų12538.9 Ų38.947%0.47220%0.204SC..SBendtrans-116.5152.6-173.6-58.4-177.2-175.4-161.9-0.9111.1A6 L11A6-R9 HydrophobicContact CB-CB 3.98Å; R9-L11 HydrophobicContact CB-CB 4.01Å; R9-L11 PolarHBondContact O-N 3.25Å
10D79.7Confident87.2Confident42 Ų4243.3 Ų43.323%0.22522%0.217CC..SBendtrans-73.751.6166.2-80.2-1.5000110.7E25 I26 Q268D10-E25 CarbonylContact O-C 3.52Å; D10-E25 WeakPolarHBondContact O-CA 3.33Å; D10-I26 WeakPolarHBondContact CB-O 3.23Å; D10-I26 PolarHBondContact O-N 3.44Å; D10-Q268 PolarHBondContact OD1-NE2 3.46Å; D10-Q268 PolarHBondContact OD1-OE1 3.16Å
11L89.1Confident87.5Confident22 Ų2241.2 Ų41.212%0.11521%0.207CC..EExtended strand (participates in β ladder)trans-117121.1-177.4-173.876000109.3A6 R9 L23 W24 L49 V70A6-L11 HydrophobicContact CB-CB 3.8Å; A6-L11 PolarHBondContact N-O 3.42Å; R9-L11 HydrophobicContact CB-CB 4.01Å; R9-L11 PolarHBondContact O-N 3.25Å; L11-L23 HydrophobicContact CD1-CB 4.2Å; L11-L23 HydrophobicContact CD2-CD2 4.43Å; L11-W24 CarbonylContact C-O 3.6Å; L11-W24 WeakPolarHBondContact CA-O 3.47Å; L11-L49 HydrophobicContact CD2-CD2 4.27Å; L11-V70 HydrophobicContact CD2-CG1 3.57Å
12L91.7Very high88Confident3 Ų342 Ų422%0.01621%0.209CC..EExtended strand (participates in β ladder)trans-106.5128175.3175.764.3000109.2L3 W5 T14 L23 W24 I26 A273 V281 L283L3-L12 HydrophobicContact CB-CD1 4.25Å; W5-L12 HydrophobicContact CD2-CB 4.23Å; W5-L12 HydrophobicContact CD2-CD1 3.97Å; W5-L12 HydrophobicContact CE3-CB 4.1Å; W5-L12 HydrophobicContact CG-CD1 4.07Å; W5-L12 HydrophobicContact CH2-CB 4.35Å; W5-L12 HydrophobicContact CZ2-CB 4.46Å; W5-L12 HydrophobicContact CZ2-CD1 4.38Å; W5-L12 HydrophobicContact CZ2-CD2 4.38Å; W5-L12 HydrophobicContact CZ3-CB 4.16Å; L12-T14 HydrophobicContact CD1-CG2 4.5Å; L12-T14 HydrophobicContact CD2-CG2 4.08Å; L12-T14 HydrophobicContact CG-CG2 3.92Å; L12-L23 CarbonylContact O-C 3.58Å; L12-L23 WeakPolarHBondContact O-CA 3.48Å; L12-W24 HydrophobicContact CB-CB 4.35Å; L12-W24 PolarHBondContact N-O 2.85Å; L12-W24 VanDerWaalsContact O-CD1 3.23Å; L12-W24 PolarHBondContact O-N 3.11Å; L12-I26 HydrophobicContact CB-CG1 3.94Å; L12-I26 HydrophobicContact CD2-CG1 4.49Å; L12-A273 HydrophobicContact CD1-CB 3.99Å; L12-A273 HydrophobicContact CD2-CB 3.86Å; L12-V281 HydrophobicContact CD2-CG1 4.07Å; L12-L283 HydrophobicContact CD2-CD2 4.08Å
13A94Very high88.2Confident0 Ų042 Ų420%021%0.208CC..EExtended strand (participates in β ladder)trans-99.2138.5168.800000109.9L3 A4 L21 K22 L23 I47 L49 V56L3-A13 CarbonylContact C-O 3.53Å; L3-A13 WeakPolarHBondContact CA-O 3.33Å; A4-A13 PolarHBondContact N-O 3.48Å; A4-A13 PolarHBondContact O-N 2.97Å; A13-L21 HydrophobicContact CB-CD2 4.37Å; A13-K22 CarbonylContact C-O 3.59Å; A13-K22 WeakPolarHBondContact CA-O 3.26Å; A13-L23 HydrophobicContact CB-CD2 3.68Å; A13-I47 HydrophobicContact CB-CG2 3.67Å; A13-L49 HydrophobicContact CB-CD1 4Å; A13-V56 HydrophobicContact CB-CG2 4.15Å
14T93.6Very high88Confident10 Ų1043.4 Ų43.46%0.06121%0.212CC..EExtended strand (participates in β ladder)trans-138.1153178.170.20000110.9A2 L3 L12 L21 K22 W24 V281A2-T14 CarbonylContact O-C 3.51Å; A2-T14 WeakPolarHBondContact O-CA 3.43Å; L3-T14 HydrophobicContact CB-CG2 4.32Å; L12-T14 HydrophobicContact CD1-CG2 4.5Å; L12-T14 HydrophobicContact CD2-CG2 4.08Å; L12-T14 HydrophobicContact CG-CG2 3.92Å; T14-L21 CarbonylContact O-C 3.51Å; T14-L21 WeakPolarHBondContact O-CA 3.14Å; T14-K22 PolarHBondContact N-O 2.67Å; T14-K22 PolarHBondContact O-N 2.83Å; T14-W24 VanDerWaalsContact CG2-NE1 3.28Å; T14-W24 PolarHBondContact OG1-NE1 3.44Å; T14-V281 HydrophobicContact CG2-CG1 4.31Å; T14-V281 HydrophobicContact CG2-CG2 3.93Å
15G91Very high87.6Confident4 Ų447.8 Ų47.84%0.04123%0.231CC..EExtended strand (participates in β ladder)trans-161.4156.6177.100000112.3M1 A2 I47M1-G15 CarbonylContact C-O 3.57Å; M1-G15 WeakPolarHBondContact CA-O 3.42Å; M1-G15 WeakPolarHBondContact CB-O 3.38Å; A2-G15 PolarHBondContact N-O 3.48Å; A2-G15 PolarHBondContact O-N 2.81Å; G15-I47 VanDerWaalsContact N-CD1 3.27Å
16G90.9Very high86.8Confident4 Ų447.2 Ų47.24%0.04123%0.229CC..  trans-170.7-146.3-178.500000113.9D18 R19 A43 I44G16-D18 PolarHBondContact O-N 3.18Å; G16-R19 PolarHBondContact O-N 3.45Å; G16-A43 VanDerWaalsContact O-CA 3.29Å; G16-A43 WeakPolarHBondContact O-CA 3.37Å; G16-I44 PolarHBondContact O-N 3.38Å
17A90Very high85.9Confident65 Ų6548.4 Ų48.454%0.53724%0.238SC..THydrogen-bonded Turntrans-68.8-14.9-173.400000114.5R19 A43A17-R19 PolarHBondContact O-N 3.15Å; A17-A43 HydrophobicContact CB-CB 4.42Å
18D89.4Confident85.1Confident58 Ų5848.4 Ų48.431%0.3124%0.241SC..THydrogen-bonded Turntrans-76.4-2.8172.168.9-9.4000112.9G16 R20 K22G16-D18 PolarHBondContact O-N 3.18Å; D18-R20 PolarHBondContact O-N 3.32Å; D18-R20 PolarHBondContact OD1-N 3.07Å; D18-K22 WeakPolarHBondContact OD2-CE 3.43Å; D18-K22 IonicContact OD2-NZ 3.27Å; D18-K22 PolarHBondContact OD2-NZ 2.96Å
19R92.9Very high84.5Confident135 Ų13545.5 Ų45.551%0.50923%0.225SC..  trans65.816.1173.9-40.4177.5-78.4-170.7-2.2113.4G16 A17 C40 N41 Q42G16-R19 PolarHBondContact O-N 3.45Å; A17-R19 PolarHBondContact O-N 3.15Å; R19-C40 HydrophobicContact CB-CB 4.45Å; R19-C40 WeakPolarHBondContact CB-O 3.24Å; R19-C40 WeakPolarHBondContact O-CB 3.49Å; R19-N41 VanDerWaalsContact CD-C 3.49Å; R19-N41 WeakPolarHBondContact CD-O 3.22Å; R19-N41 PolarHBondContact NH1-O 3.24Å; R19-Q42 WeakPolarHBondContact CB-O 3.41Å; R19-Q42 WeakPolarHBondContact CG-O 3.24Å
20R92.7Very high84.2Confident126 Ų12646.5 Ų46.548%0.47523%0.228SC..  trans-114.2135.9-178.9-68.7172.8176.2-1604.4109.2D18 S36 T38 I44D18-R20 PolarHBondContact O-N 3.32Å; D18-R20 PolarHBondContact OD1-N 3.07Å; R20-S36 WeakPolarHBondContact CD-OG 3.42Å; R20-T38 HydrophobicContact CG-CG2 4.45Å; R20-I44 WeakPolarHBondContact O-CD1 3.21Å
21L94.2Very high83.7Confident0 Ų050.6 Ų50.60%025%0.246CC..EExtended strand (participates in β ladder)trans-87.5125.6165.4-173.7144.7000107.3A13 T14 L23 L37 I44 I47 V56 A58 W68A13-L21 HydrophobicContact CB-CD2 4.37Å; T14-L21 CarbonylContact O-C 3.51Å; T14-L21 WeakPolarHBondContact O-CA 3.14Å; L21-L23 HydrophobicContact CD2-CD2 3.56Å; L21-L23 HydrophobicContact CD2-CG 3.82Å; L21-L37 HydrophobicContact CB-CB 4.23Å; L21-L37 HydrophobicContact CD2-CD1 3.57Å; L21-L37 HydrophobicContact CD2-CG 4.02Å; L21-L37 PolarHBondContact N-O 3.3Å; L21-L37 VanDerWaalsContact N-O 3.08Å; L21-L37 PolarHBondContact O-N 3.45Å; L21-I44 HydrophobicContact CB-CD1 3.95Å; L21-I47 HydrophobicContact CD1-CD1 3.83Å; L21-I47 HydrophobicContact CD1-CG1 3.96Å; L21-I47 HydrophobicContact CD1-CG2 3.97Å; L21-I47 HydrophobicContact CG-CD1 4.18Å; L21-V56 HydrophobicContact CD1-CG2 3.67Å; L21-V56 HydrophobicContact CD2-CG1 4.09Å; L21-V56 HydrophobicContact CD2-CG2 4.07Å; L21-A58 HydrophobicContact CD1-CB 3.83Å; L21-W68 HydrophobicContact CD1-CZ3 4.38Å
22K92.8Very high82.4Confident59 Ų5954.4 Ų54.426%0.25727%0.267SS..EExtended strand (participates in β ladder)trans-110.7131.5177.2-62.3174.4-171.3163.40109.3A13 T14 D18 W24 E35A13-K22 CarbonylContact C-O 3.59Å; A13-K22 WeakPolarHBondContact CA-O 3.26Å; T14-K22 PolarHBondContact N-O 2.67Å; T14-K22 PolarHBondContact O-N 2.83Å; D18-K22 WeakPolarHBondContact OD2-CE 3.43Å; D18-K22 IonicContact OD2-NZ 3.27Å; D18-K22 PolarHBondContact OD2-NZ 2.96Å; K22-W24 HydrophobicContact CB-CZ2 3.75Å; K22-W24 HydrophobicContact CD-CH2 3.97Å; K22-W24 HydrophobicContact CD-CZ2 3.46Å; K22-W24 VanDerWaalsContact CD-CZ2 3.46Å; K22-W24 HydrophobicContact CG-CZ2 4.25Å; K22-E35 CarbonylContact C-O 3.59Å; K22-E35 VanDerWaalsContact CA-O 3.23Å; K22-E35 WeakPolarHBondContact CA-O 3.26Å
23L92.8Very high81.1Confident8 Ų861.8 Ų61.84%0.04229%0.294CS..EExtended strand (participates in β ladder)trans-103127.8173.2-63.2178.6000108.2L11 L12 A13 L21 S34 E35 L37 V56 V70L11-L23 HydrophobicContact CD1-CB 4.2Å; L11-L23 HydrophobicContact CD2-CD2 4.43Å; L12-L23 CarbonylContact O-C 3.58Å; L12-L23 WeakPolarHBondContact O-CA 3.48Å; A13-L23 HydrophobicContact CB-CD2 3.68Å; L21-L23 HydrophobicContact CD2-CD2 3.56Å; L21-L23 HydrophobicContact CD2-CG 3.82Å; L23-S34 CarbonylContact O-C 3.52Å; L23-S34 WeakPolarHBondContact O-CA 3.2Å; L23-E35 HydrophobicContact CB-CB 4.4Å; L23-E35 PolarHBondContact N-O 3.06Å; L23-E35 PolarHBondContact O-N 2.79Å; L23-L37 HydrophobicContact CD1-CD1 4.11Å; L23-L37 HydrophobicContact CG-CD1 4.36Å; L23-V56 HydrophobicContact CD2-CG1 4.43Å; L23-V56 HydrophobicContact CD2-CG2 4.48Å; L23-V70 HydrophobicContact CD1-CG1 4.26Å
24W89.4Confident80.5Confident44 Ų4465 Ų6517%0.16732%0.317CS..EExtended strand (participates in β ladder)trans-121.2122.7-177.5-45.789.8000109.2L11 L12 T14 K22 I26 Q31 R33 S34L11-W24 CarbonylContact C-O 3.6Å; L11-W24 WeakPolarHBondContact CA-O 3.47Å; L12-W24 HydrophobicContact CB-CB 4.35Å; L12-W24 PolarHBondContact N-O 2.85Å; L12-W24 VanDerWaalsContact O-CD1 3.23Å; L12-W24 PolarHBondContact O-N 3.11Å; T14-W24 VanDerWaalsContact CG2-NE1 3.28Å; T14-W24 PolarHBondContact OG1-NE1 3.44Å; K22-W24 HydrophobicContact CB-CZ2 3.75Å; K22-W24 HydrophobicContact CD-CH2 3.97Å; K22-W24 HydrophobicContact CD-CZ2 3.46Å; K22-W24 VanDerWaalsContact CD-CZ2 3.46Å; K22-W24 HydrophobicContact CG-CZ2 4.25Å; W24-I26 HydrophobicContact CB-CD1 3.59Å; W24-I26 HydrophobicContact CB-CG1 4.1Å; W24-Q31 HydrophobicContact CE3-CB 4.49Å; W24-Q31 VanDerWaalsContact CE3-OE1 3.31Å; W24-R33 WeakPolarHBondContact CA-O 3.12Å; W24-S34 VanDerWaalsContact CE3-CB 3.41Å; W24-S34 VanDerWaalsContact CZ3-CB 3.45Å
25E85.9Confident80.1Confident102 Ų10267.2 Ų67.248%0.47733%0.327SS..EExtended strand (participates in β ladder)trans-83.3115.5168.5-168.8169.5-153.500108.4D10 N32 R33D10-E25 CarbonylContact O-C 3.52Å; D10-E25 WeakPolarHBondContact O-CA 3.33Å; E25-N32 PolarHBondContact O-N 2.97Å; E25-R33 PolarHBondContact N-O 2.81Å; E25-R33 VanDerWaalsContact N-O 3.07Å
26I72.7Confident80.1Confident4 Ų469.4 Ų69.42%0.02134%0.341CS..EExtended strand (participates in β ladder)trans-113.884.9-171.3-52.8-58.5000110.5W5 D10 L12 W24 R30 Q31 I271 L283W5-I26 HydrophobicContact CH2-CB 3.87Å; W5-I26 HydrophobicContact CH2-CG1 4.03Å; W5-I26 HydrophobicContact CH2-CG2 3.89Å; W5-I26 HydrophobicContact CZ3-CB 3.99Å; W5-I26 HydrophobicContact CZ3-CG1 4.22Å; W5-I26 HydrophobicContact CZ3-CG2 4.46Å; D10-I26 WeakPolarHBondContact CB-O 3.23Å; D10-I26 PolarHBondContact O-N 3.44Å; L12-I26 HydrophobicContact CB-CG1 3.94Å; L12-I26 HydrophobicContact CD2-CG1 4.49Å; W24-I26 HydrophobicContact CB-CD1 3.59Å; W24-I26 HydrophobicContact CB-CG1 4.1Å; I26-R30 CarbonylContact C-O 3.59Å; I26-R30 VanDerWaalsContact CA-O 3.27Å; I26-R30 WeakPolarHBondContact CA-O 3.5Å; I26-Q31 HydrophobicContact CD1-CB 3.9Å; I26-I271 HydrophobicContact CG2-CD1 4.43Å; I26-L283 HydrophobicContact CD1-CD1 4.17Å; I26-L283 HydrophobicContact CG1-CD1 4.48Å; I26-L283 HydrophobicContact CG2-CD1 3.56Å
27S68.7Low80.3Confident28 Ų2869.4 Ų69.420%0.19634%0.34CS..EExtended strand (participates in β ladder)trans-90.3138.2168.767.20000110.2G29 R30 N32S27-G29 PolarHBondContact O-N 3.36Å; S27-R30 PolarHBondContact N-O 3.1Å; S27-R30 VanDerWaalsContact N-O 3.14Å; S27-R30 PolarHBondContact O-N 2.88Å; S27-N32 PolarHBondContact OG-ND2 3.38Å; S27-N32 PolarHBondContact OG-OD1 3.06Å
28D61.3Low80.5Confident90 Ų9070.5 Ų70.548%0.48134%0.34SS..THydrogen-bonded Turntrans59.129.9172.5-90.2-37.3000115.3R30 R423D28-R30 PolarHBondContact O-N 3.39Å; D28-R423 WeakPolarHBondContact OD1-CD 3.15Å; D28-R423 IonicContact OD1-CZ 3.53Å; D28-R423 IonicContact OD1-NE 2.71Å; D28-R423 PolarHBondContact OD1-NE 3.15Å; D28-R423 IonicContact OD1-NH1 2.77Å; D28-R423 PolarHBondContact OD1-NH1 2.92Å; D28-R423 IonicContact OD1-NH2 2.69Å; D28-R423 IonicContact OD2-CZ 3.26Å; D28-R423 VanDerWaalsContact OD2-CZ 3.27Å; D28-R423 IonicContact OD2-NE 3.95Å; D28-R423 PolarHBondContact OD2-NE 3.05Å; D28-R423 IonicContact OD2-NH1 3.15Å; D28-R423 IonicContact OD2-NH2 2.74Å
29G57Low80.7Confident27 Ų2769.2 Ų69.228%0.27834%0.341SS..THydrogen-bonded Turntrans67.217.1-17500000113.2S27S27-G29 PolarHBondContact O-N 3.36Å
30R59.1Low80.8Confident145 Ų14563.2 Ų63.255%0.54732%0.319SS..EExtended strand (participates in β ladder)trans-120.5141.6177.3-65-177.5174.4-176.9-1.7110.3I26 S27 D28I26-R30 CarbonylContact C-O 3.59Å; I26-R30 VanDerWaalsContact CA-O 3.27Å; I26-R30 WeakPolarHBondContact CA-O 3.5Å; S27-R30 PolarHBondContact N-O 3.1Å; S27-R30 VanDerWaalsContact N-O 3.14Å; S27-R30 PolarHBondContact O-N 2.88Å; D28-R30 PolarHBondContact O-N 3.39Å
31Q67.7Low80.9Confident129 Ų12962.2 Ų62.260%0.60332%0.323SS*.EExtended strand (participates in β ladder)trans-75.7131.3170.168.3-176.90.900110.2W24 I26W24-Q31 HydrophobicContact CE3-CB 4.49Å; W24-Q31 VanDerWaalsContact CE3-OE1 3.31Å; I26-Q31 HydrophobicContact CD1-CB 3.9Å
32N62.8Low81.1Confident101 Ų10166.6 Ų66.654%0.5434%0.344SS..EExtended strand (participates in β ladder)trans-100.6-45.9174.4-70.1-16000111.7E25 S27E25-N32 PolarHBondContact O-N 2.97Å; S27-N32 PolarHBondContact OG-ND2 3.38Å; S27-N32 PolarHBondContact OG-OD1 3.06Å
33R64.8Low81.1Confident159 Ų15964.9 Ų64.960%0.634%0.341SS*.EExtended strand (participates in β ladder)trans-147.3142.1-174-174.6175.2174.9175.2-1.3110.3W24 E25 E35W24-R33 WeakPolarHBondContact CA-O 3.12Å; E25-R33 PolarHBondContact N-O 2.81Å; E25-R33 VanDerWaalsContact N-O 3.07Å; R33-E35 IonicContact CZ-OE1 3.16Å; R33-E35 IonicContact NE-OE1 2.82Å; R33-E35 PolarHBondContact NE-OE1 3.24Å; R33-E35 IonicContact NH2-OE1 3.34Å; R33-E35 PolarHBondContact NH2-OE1 3Å
34S80.2Confident81.3Confident67 Ų6764.7 Ų64.747%0.46934%0.34SS..EExtended strand (participates in β ladder)trans-122.8126.9174.173.80000111.4L23 W24L23-S34 CarbonylContact O-C 3.52Å; L23-S34 WeakPolarHBondContact O-CA 3.2Å; W24-S34 VanDerWaalsContact CE3-CB 3.41Å; W24-S34 VanDerWaalsContact CZ3-CB 3.45Å
35E86.3Confident81.6Confident57 Ų5763.9 Ų63.927%0.26634%0.34SS..EExtended strand (participates in β ladder)trans-105.2142.3169.1-65.4-65154.500109.3K22 L23 R33 N73K22-E35 CarbonylContact C-O 3.59Å; K22-E35 VanDerWaalsContact CA-O 3.23Å; K22-E35 WeakPolarHBondContact CA-O 3.26Å; L23-E35 HydrophobicContact CB-CB 4.4Å; L23-E35 PolarHBondContact N-O 3.06Å; L23-E35 PolarHBondContact O-N 2.79Å; R33-E35 IonicContact CZ-OE1 3.16Å; R33-E35 IonicContact NE-OE1 2.82Å; R33-E35 PolarHBondContact NE-OE1 3.24Å; R33-E35 IonicContact NH2-OE1 3.34Å; R33-E35 PolarHBondContact NH2-OE1 3Å; E35-N73 WeakPolarHBondContact CG-ND2 3.41Å; E35-N73 PolarHBondContact OE2-ND2 2.94Å; E35-N73 VanDerWaalsContact OE2-ND2 3.08Å
36S90.9Very high82.1Confident50 Ų5059.2 Ų59.235%0.3532%0.318SS..EExtended strand (participates in β ladder)trans-118.6108-176.3170.70000110.9R20R20-S36 WeakPolarHBondContact CD-OG 3.42Å
37L94.9Very high83.3Confident4 Ų459.5 Ų59.52%0.02132%0.32CS..EExtended strand (participates in β ladder)trans-89124.5179.2-41.9-173.3000110.5L21 L23 V56 W68 N73L21-L37 HydrophobicContact CB-CB 4.23Å; L21-L37 HydrophobicContact CD2-CD1 3.57Å; L21-L37 HydrophobicContact CD2-CG 4.02Å; L21-L37 PolarHBondContact N-O 3.3Å; L21-L37 VanDerWaalsContact N-O 3.08Å; L21-L37 PolarHBondContact O-N 3.45Å; L23-L37 HydrophobicContact CD1-CD1 4.11Å; L23-L37 HydrophobicContact CG-CD1 4.36Å; L37-V56 HydrophobicContact CD1-CG1 3.78Å; L37-W68 HydrophobicContact CB-CD2 4.23Å; L37-W68 HydrophobicContact CB-CG 4.16Å; L37-W68 HydrophobicContact CD1-CB 3.59Å; L37-W68 HydrophobicContact CD1-CD2 4.02Å; L37-W68 HydrophobicContact CD1-CE3 4.45Å; L37-W68 HydrophobicContact CD1-CG 3.64Å; L37-W68 HydrophobicContact CG-CG 4.46Å; L37-N73 HydrophobicContact CD2-CB 3.42Å; L37-N73 VanDerWaalsContact CD2-CB 3.42Å; L37-N73 WeakPolarHBondContact CD2-OD1 3.38Å
38T94.8Very high84.6Confident88 Ų8859 Ų5954%0.5432%0.315SS..  trans-103159.2-179.957.40000111.8R20 W68R20-T38 HydrophobicContact CG-CG2 4.45Å; T38-W68 PolarHBondContact O-NE1 3.13Å
39G92.1Very high86.1Confident31 Ų3154.9 Ų54.932%0.3229%0.293SS..  trans144.8-30.6171.300000113.3R66G39-R66 PolarHBondContact O-NE 3.2Å; G39-R66 PolarHBondContact O-NH2 2.99Å
40C94.9Very high87.8Confident9 Ų954.1 Ų54.16%0.06128%0.283CS..  trans-66.3135.5175.9-65.70000111.3R19 I44R19-C40 HydrophobicContact CB-CB 4.45Å; R19-C40 WeakPolarHBondContact CB-O 3.24Å; R19-C40 WeakPolarHBondContact O-CB 3.49Å; C40-I44 HydrophobicContact CB-CG1 4.21Å
41N96.3Very high89Confident104 Ų10453.3 Ų53.356%0.55629%0.288SS*.SBendtrans-93.4-14.9-177.6-63.9-39.1000112.9R19 D62 R66R19-N41 VanDerWaalsContact CD-C 3.49Å; R19-N41 WeakPolarHBondContact CD-O 3.22Å; R19-N41 PolarHBondContact NH1-O 3.24Å; N41-D62 HydrophobicContact CB-CB 4.01Å; N41-D62 VanDerWaalsContact CB-OD2 3.32Å; N41-D62 WeakPolarHBondContact CB-OD2 3.41Å; N41-D62 PolarHBondContact N-OD2 3.16Å; N41-R66 PolarHBondContact ND2-NH2 3.38Å
42Q97Very high89.7Confident93 Ų9351.2 Ų51.244%0.43528%0.281SS..SBendtrans-138.6-174173.4-63.2-170.428.200110.9R19 N61 D62R19-Q42 WeakPolarHBondContact CB-O 3.41Å; R19-Q42 WeakPolarHBondContact CG-O 3.24Å; Q42-N61 HydrophobicContact CB-CB 3.76Å; Q42-N61 PolarHBondContact OE1-O 3.16Å; Q42-D62 HydrophobicContact CB-CB 4.01Å; Q42-D62 HydrophobicContact CG-CB 3.94Å
43A94.5Very high90.9Very high23 Ų2346.4 Ų46.419%0.1926%0.256CS..  trans-59.7137.2-174.700000112.2G16 A17 S60 N61G16-A43 VanDerWaalsContact O-CA 3.29Å; G16-A43 WeakPolarHBondContact O-CA 3.37Å; A17-A43 HydrophobicContact CB-CB 4.42Å; A43-S60 WeakPolarHBondContact O-CA 3.14Å; A43-N61 PolarHBondContact O-N 2.93Å
44I95.7Very high92.2Very high4 Ų441.9 Ų41.92%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-76.4132.7171.1-68.1162.6000109.2A2 G16 R20 L21 C40 I47 A58 G59A2-I44 HydrophobicContact CB-CG2 4.3Å; G16-I44 PolarHBondContact O-N 3.38Å; R20-I44 WeakPolarHBondContact O-CD1 3.21Å; L21-I44 HydrophobicContact CB-CD1 3.95Å; C40-I44 HydrophobicContact CB-CG1 4.21Å; I44-I47 HydrophobicContact CG2-CD1 4.08Å; I44-I47 HydrophobicContact CG2-CG1 3.78Å; I44-A58 HydrophobicContact CD1-CB 4.29Å; I44-A58 HydrophobicContact CG1-CB 4.21Å; I44-A58 HydrophobicContact CG2-CB 3.96Å; I44-G59 WeakPolarHBondContact CA-O 3.29Å
45T95.7Very high92.9Very high27 Ų2740.3 Ų40.317%0.16623%0.232CC..EExtended strand (participates in β ladder)trans-116.6-25.2-170.744.30000113G59 N61 V86T45-G59 PolarHBondContact N-O 3.08Å; T45-G59 VanDerWaalsContact OG1-C 3.29Å; T45-G59 PolarHBondContact OG1-O 2.95Å; T45-G59 VanDerWaalsContact OG1-O 3.1Å; T45-N61 WeakPolarHBondContact CG2-OD1 2.82Å; T45-V86 WeakPolarHBondContact CB-O 3.38Å; T45-V86 PolarHBondContact OG1-O 3.26Å
46C96.6Very high93.4Very high4 Ų437.6 Ų37.63%0.02722%0.219CC..EExtended strand (participates in β ladder)trans-150.5154.2175.460.20000110.5A58 G59 L87 C88 A89C46-A58 VanDerWaalsContact O-CA 3.31Å; C46-A58 WeakPolarHBondContact O-CA 3.39Å; C46-G59 PolarHBondContact O-N 2.99Å; C46-G59 VanDerWaalsContact SG-CA 3.51Å; C46-L87 WeakPolarHBondContact CB-O 3.13Å; C46-C88 VanDerWaalsContact SG-C 3.54Å; C46-C88 WeakPolarHBondContact SG-CA 3.45Å; C46-A89 PolarHBondContact SG-N 3.08Å; C46-A89 VanDerWaalsContact SG-N 3.42Å
47I97.5Very high93.7Very high10 Ų1035.2 Ų35.25%0.05120%0.203CC..EExtended strand (participates in β ladder)trans-139.9146178.6-63.4176.8000108A2 A4 A13 G15 L21 I44 V56 L57 A58A2-I47 HydrophobicContact CB-CB 4.42Å; A2-I47 HydrophobicContact CB-CD1 4.1Å; A2-I47 HydrophobicContact CB-CG1 3.85Å; A4-I47 HydrophobicContact CB-CB 4.25Å; A4-I47 HydrophobicContact CB-CG2 3.88Å; A13-I47 HydrophobicContact CB-CG2 3.67Å; G15-I47 VanDerWaalsContact N-CD1 3.27Å; L21-I47 HydrophobicContact CD1-CD1 3.83Å; L21-I47 HydrophobicContact CD1-CG1 3.96Å; L21-I47 HydrophobicContact CD1-CG2 3.97Å; L21-I47 HydrophobicContact CG-CD1 4.18Å; I44-I47 HydrophobicContact CG2-CD1 4.08Å; I44-I47 HydrophobicContact CG2-CG1 3.78Å; I47-V56 HydrophobicContact CG2-CG2 3.93Å; I47-L57 WeakPolarHBondContact CA-O 3.42Å; I47-A58 HydrophobicContact CG1-CB 4.47Å
48D96.7Very high93.9Very high17 Ų1735 Ų359%0.09120%0.202CC..EExtended strand (participates in β ladder)trans-148.3151.4171.5-156.249000109.8L57 K90 F91D48-L57 HydrophobicContact CB-CD1 3.74Å; D48-L57 HydrophobicContact CB-CD2 4.27Å; D48-L57 HydrophobicContact CB-CG 3.83Å; D48-L57 PolarHBondContact N-O 2.91Å; D48-L57 PolarHBondContact O-N 2.94Å; D48-K90 HydrophobicContact CB-CD 4.07Å; D48-K90 VanDerWaalsContact OD1-CD 3.26Å; D48-K90 WeakPolarHBondContact OD1-CD 3.49Å; D48-K90 IonicContact OD1-NZ 2.8Å; D48-K90 PolarHBondContact OD1-NZ 3.38Å; D48-K90 VanDerWaalsContact OD2-CA 3.26Å; D48-K90 WeakPolarHBondContact OD2-CA 3.3Å; D48-K90 VanDerWaalsContact OD2-CD 3.29Å; D48-K90 WeakPolarHBondContact OD2-CD 3.26Å; D48-F91 HydrophobicContact CB-CD2 4.39Å; D48-F91 PolarHBondContact OD2-N 3.09Å
49L93.4Very high94Very high3 Ų330.9 Ų30.92%0.01618%0.176CC..EExtended strand (participates in β ladder)trans-110.9150.5171.7-73.591.5000109.8A4 A6 H7 L11 A13 L55 V56A4-L49 HydrophobicContact CB-CD1 3.84Å; A6-L49 HydrophobicContact CB-CD2 3.83Å; H7-L49 PolarHBondContact CE1-O 3.18Å; L11-L49 HydrophobicContact CD2-CD2 4.27Å; A13-L49 HydrophobicContact CB-CD1 4Å; L49-L55 WeakPolarHBondContact CA-O 3.32Å; L49-V56 HydrophobicContact CD1-CG2 4.41Å; L49-V56 HydrophobicContact CG-CB 4.29Å; L49-V56 HydrophobicContact CG-CG2 4.13Å
50S91.6Very high94.3Very high11 Ų1129.4 Ų29.48%0.07716%0.161CC..  trans-69157.9170.858.60000110.6H7 D52 D53 T54 L55 F91H7-S50 PolarHBondContact ND1-O 2.84Å; S50-D52 VanDerWaalsContact CB-OD1 3.24Å; S50-D52 WeakPolarHBondContact CB-OD1 3.24Å; S50-D52 PolarHBondContact O-N 3.09Å; S50-D52 PolarHBondContact OG-OD1 2.98Å; S50-D53 WeakPolarHBondContact O-CA 3.23Å; S50-D53 PolarHBondContact O-N 2.79Å; S50-T54 PolarHBondContact OG-N 2.78Å; S50-L55 PolarHBondContact N-O 2.91Å; S50-L55 PolarHBondContact OG-N 3.41Å; S50-L55 PolarHBondContact OG-O 3.01Å; S50-F91 VanDerWaalsContact N-CD2 3.33Å
51I84.4Confident94.5Very high128 Ų12830.5 Ų30.566%0.65617%0.166SC*.THydrogen-bonded Turntrans-61.3-28-176.2-169.259.3000113.6D53I51-D53 VanDerWaalsContact C-N 3.31Å
52D82.8Confident94.5Very high85 Ų8526.8 Ų26.846%0.45515%0.146SC..THydrogen-bonded Turntrans-89.23.4176.265.6-14.3000112.9S50 T54S50-D52 VanDerWaalsContact CB-OD1 3.24Å; S50-D52 WeakPolarHBondContact CB-OD1 3.24Å; S50-D52 PolarHBondContact O-N 3.09Å; S50-D52 PolarHBondContact OG-OD1 2.98Å; D52-T54 HydrophobicContact CB-CG2 4.12Å; D52-T54 VanDerWaalsContact CG-CG2 3.48Å; D52-T54 PolarHBondContact O-N 2.85Å; D52-T54 PolarHBondContact OD1-N 2.73Å; D52-T54 PolarHBondContact OD1-OG1 2.69Å; D52-T54 WeakPolarHBondContact OD2-CG2 3.15Å; D52-T54 PolarHBondContact OD2-OG1 2.77Å
53D87.3Confident94.6Very high1 Ų126.5 Ų26.51%0.00514%0.144CC..SBendtrans5421.7-176.7-59.2-42.8000114.3A6 H7 S8 S50 I51 V70A6-D53 WeakPolarHBondContact CA-OD1 3.31Å; A6-D53 HydrophobicContact CB-CB 4.29Å; A6-D53 WeakPolarHBondContact CB-OD1 3.46Å; H7-D53 IonicContact CG-OD1 3.69Å; H7-D53 PolarHBondContact N-OD1 2.87Å; H7-D53 PolarHBondContact N-OD2 2.95Å; H7-D53 IonicContact ND1-OD1 3.54Å; H7-D53 PolarHBondContact ND1-OD1 3.13Å; S8-D53 WeakPolarHBondContact CB-OD2 3.5Å; S8-D53 PolarHBondContact N-OD2 2.83Å; S8-D53 PolarHBondContact OG-OD2 3.34Å; S50-D53 WeakPolarHBondContact O-CA 3.23Å; S50-D53 PolarHBondContact O-N 2.79Å; I51-D53 VanDerWaalsContact C-N 3.31Å; D53-V70 WeakPolarHBondContact O-CB 3.28Å; D53-V70 WeakPolarHBondContact O-CG2 3.44Å
54T92.1Very high94.8Very high63 Ų6325.7 Ų25.739%0.38714%0.137SC..SBendtrans-87.5-25-179.567.40000113.1S50 D52 V70S50-T54 PolarHBondContact OG-N 2.78Å; D52-T54 HydrophobicContact CB-CG2 4.12Å; D52-T54 VanDerWaalsContact CG-CG2 3.48Å; D52-T54 PolarHBondContact O-N 2.85Å; D52-T54 PolarHBondContact OD1-N 2.73Å; D52-T54 PolarHBondContact OD1-OG1 2.69Å; D52-T54 WeakPolarHBondContact OD2-CG2 3.15Å; D52-T54 PolarHBondContact OD2-OG1 2.77Å; T54-V70 PolarHBondContact O-N 3.48Å
55L95.1Very high94.9Very high35 Ų3525.5 Ų25.518%0.18314%0.136CC..EExtended strand (participates in β ladder)trans-123.9145.5179.7-60.7177.2000111L49 S50 I67 W68 R76 F91L49-L55 WeakPolarHBondContact CA-O 3.32Å; S50-L55 PolarHBondContact N-O 2.91Å; S50-L55 PolarHBondContact OG-N 3.41Å; S50-L55 PolarHBondContact OG-O 3.01Å; L55-I67 HydrophobicContact CB-CG2 4.08Å; L55-I67 HydrophobicContact CD1-CG2 4.28Å; L55-I67 HydrophobicContact CD2-CG2 4.27Å; L55-I67 HydrophobicContact CG-CG2 4.46Å; L55-W68 WeakPolarHBondContact CA-O 3.32Å; L55-R76 HydrophobicContact CD2-CG 4.24Å; L55-F91 HydrophobicContact CB-CE1 4.18Å; L55-F91 HydrophobicContact CB-CE2 4.35Å; L55-F91 HydrophobicContact CB-CZ 3.64Å; L55-F91 HydrophobicContact CD1-CE1 4.21Å; L55-F91 HydrophobicContact CD1-CZ 4.47Å
56V97.1Very high95Very high0 Ų024.9 Ų24.90%013%0.131CC..EExtended strand (participates in β ladder)trans-125.5136.4169.962.40000108.9A13 L21 L23 L37 I47 L49 I67 W68 V70A13-V56 HydrophobicContact CB-CG2 4.15Å; L21-V56 HydrophobicContact CD1-CG2 3.67Å; L21-V56 HydrophobicContact CD2-CG1 4.09Å; L21-V56 HydrophobicContact CD2-CG2 4.07Å; L23-V56 HydrophobicContact CD2-CG1 4.43Å; L23-V56 HydrophobicContact CD2-CG2 4.48Å; L37-V56 HydrophobicContact CD1-CG1 3.78Å; I47-V56 HydrophobicContact CG2-CG2 3.93Å; L49-V56 HydrophobicContact CD1-CG2 4.41Å; L49-V56 HydrophobicContact CG-CB 4.29Å; L49-V56 HydrophobicContact CG-CG2 4.13Å; V56-I67 CarbonylContact O-C 3.53Å; V56-I67 WeakPolarHBondContact O-CA 3.38Å; V56-W68 HydrophobicContact CG1-CB 4.09Å; V56-W68 HydrophobicContact CG1-CE3 4.48Å; V56-W68 PolarHBondContact N-O 3.3Å; V56-W68 PolarHBondContact O-N 3.43Å; V56-V70 HydrophobicContact CB-CG2 3.99Å; V56-V70 HydrophobicContact CG1-CG2 4.07Å
57L97.9Very high95.1Very high0 Ų024.7 Ų24.70%013%0.129CC..EExtended strand (participates in β ladder)trans-113.9155.217569.775.5000111.9I47 D48 I65 R66 I67 A89 F91 V98I47-L57 WeakPolarHBondContact CA-O 3.42Å; D48-L57 HydrophobicContact CB-CD1 3.74Å; D48-L57 HydrophobicContact CB-CD2 4.27Å; D48-L57 HydrophobicContact CB-CG 3.83Å; D48-L57 PolarHBondContact N-O 2.91Å; D48-L57 PolarHBondContact O-N 2.94Å; L57-I65 HydrophobicContact CB-CG2 4.27Å; L57-I65 HydrophobicContact CD1-CG2 4.46Å; L57-R66 CarbonylContact C-O 3.57Å; L57-R66 WeakPolarHBondContact CA-O 3.42Å; L57-I67 HydrophobicContact CB-CG1 3.85Å; L57-A89 HydrophobicContact CD1-CB 3.62Å; L57-F91 HydrophobicContact CB-CE2 3.82Å; L57-F91 HydrophobicContact CB-CZ 3.88Å; L57-F91 HydrophobicContact CD2-CD1 4.17Å; L57-F91 HydrophobicContact CD2-CD2 3.55Å; L57-F91 HydrophobicContact CD2-CE1 4.11Å; L57-F91 HydrophobicContact CD2-CE2 3.51Å; L57-F91 HydrophobicContact CD2-CG 3.91Å; L57-F91 HydrophobicContact CD2-CZ 3.79Å; L57-F91 HydrophobicContact CG-CD2 3.97Å; L57-F91 HydrophobicContact CG-CE2 3.57Å; L57-F91 HydrophobicContact CG-CZ 4.05Å; L57-V98 HydrophobicContact CD2-CG1 3.83Å; L57-V98 HydrophobicContact CD2-CG2 3.9Å
58A98.3Very high95.2Very high0 Ų024.4 Ų24.40%013%0.127CC..EExtended strand (participates in β ladder)trans-140.5126.6172.100000110.9L21 I44 C46 I47 I65 R66 W68L21-A58 HydrophobicContact CD1-CB 3.83Å; I44-A58 HydrophobicContact CD1-CB 4.29Å; I44-A58 HydrophobicContact CG1-CB 4.21Å; I44-A58 HydrophobicContact CG2-CB 3.96Å; C46-A58 VanDerWaalsContact O-CA 3.31Å; C46-A58 WeakPolarHBondContact O-CA 3.39Å; I47-A58 HydrophobicContact CG1-CB 4.47Å; A58-I65 CarbonylContact O-C 3.58Å; A58-I65 VanDerWaalsContact O-CA 3.3Å; A58-I65 WeakPolarHBondContact O-CA 3.33Å; A58-R66 PolarHBondContact N-O 3.29Å; A58-R66 PolarHBondContact O-N 3.28Å; A58-W68 HydrophobicContact CB-CH2 3.98Å; A58-W68 HydrophobicContact CB-CZ3 3.63Å
59G98.1Very high95.1Very high0 Ų023.7 Ų23.70%012%0.124CC..EExtended strand (participates in β ladder)trans-85.1153164.700000110.9I44 T45 C46I44-G59 WeakPolarHBondContact CA-O 3.29Å; T45-G59 PolarHBondContact N-O 3.08Å; T45-G59 VanDerWaalsContact OG1-C 3.29Å; T45-G59 PolarHBondContact OG1-O 2.95Å; T45-G59 VanDerWaalsContact OG1-O 3.1Å; C46-G59 PolarHBondContact O-N 2.99Å; C46-G59 VanDerWaalsContact SG-CA 3.51Å
60S98Very high95.1Very high0 Ų024.3 Ų24.30%013%0.128CC..EExtended strand (participates in β ladder)trans-143.7157.2-172.51560000113.2A43 D62 F63 A64 V86A43-S60 WeakPolarHBondContact O-CA 3.14Å; S60-D62 WeakPolarHBondContact CB-OD1 3.08Å; S60-D62 PolarHBondContact O-N 3.16Å; S60-D62 PolarHBondContact OG-N 2.84Å; S60-D62 PolarHBondContact OG-OD1 3.16Å; S60-F63 PolarHBondContact O-N 3.46Å; S60-A64 PolarHBondContact N-O 2.92Å; S60-A64 VanDerWaalsContact N-O 3.13Å; S60-V86 PolarHBondContact O-N 3.24Å
61N97.8Very high95.1Very high33 Ų3329 Ų2918%0.17616%0.161CC..THydrogen-bonded Turntrans-64.1-12.2171.9-79.5-17.4000113.5Q42 A43 T45 F63 K85Q42-N61 HydrophobicContact CB-CB 3.76Å; Q42-N61 PolarHBondContact OE1-O 3.16Å; A43-N61 PolarHBondContact O-N 2.93Å; T45-N61 WeakPolarHBondContact CG2-OD1 2.82Å; N61-F63 WeakPolarHBondContact O-CD1 3.43Å; N61-F63 WeakPolarHBondContact O-CE1 3.39Å; N61-F63 PolarHBondContact O-N 2.89Å; N61-K85 HydrophobicContact CB-CG 4.31Å; N61-K85 VanDerWaalsContact OD1-CD 3.28Å; N61-K85 WeakPolarHBondContact OD1-CD 3.18Å; N61-K85 VanDerWaalsContact OD1-CG 3.32Å; N61-K85 WeakPolarHBondContact OD1-CG 3.42Å
62D98Very high95.5Very high26 Ų2625.7 Ų25.714%0.13915%0.145CC..THydrogen-bonded Turntrans-82.212.7172.575.2-14.4000113.5N41 Q42 S60 A64 R66N41-D62 HydrophobicContact CB-CB 4.01Å; N41-D62 VanDerWaalsContact CB-OD2 3.32Å; N41-D62 WeakPolarHBondContact CB-OD2 3.41Å; N41-D62 PolarHBondContact N-OD2 3.16Å; Q42-D62 HydrophobicContact CB-CB 4.01Å; Q42-D62 HydrophobicContact CG-CB 3.94Å; S60-D62 WeakPolarHBondContact CB-OD1 3.08Å; S60-D62 PolarHBondContact O-N 3.16Å; S60-D62 PolarHBondContact OG-N 2.84Å; S60-D62 PolarHBondContact OG-OD1 3.16Å; D62-A64 PolarHBondContact O-N 2.9Å; D62-A64 PolarHBondContact OD1-N 3.11Å; D62-R66 IonicContact OD1-NH1 3.96Å; D62-R66 PolarHBondContact OD1-NH1 2.71Å; D62-R66 IonicContact OD2-CZ 3.01Å; D62-R66 IonicContact OD2-NH1 3.93Å; D62-R66 PolarHBondContact OD2-NH1 3.07Å; D62-R66 IonicContact OD2-NH2 3.91Å; D62-R66 PolarHBondContact OD2-NH2 3.28Å
63F98.5Very high96Very high87 Ų8724 Ų2438%0.38214%0.135SC..SBendtrans70.312174-39-27.7000114.3S60 N61 H82 G84 K85S60-F63 PolarHBondContact O-N 3.46Å; N61-F63 WeakPolarHBondContact O-CD1 3.43Å; N61-F63 WeakPolarHBondContact O-CE1 3.39Å; N61-F63 PolarHBondContact O-N 2.89Å; F63-H82 HydrophobicContact CB-CB 4.49Å; F63-H82 WeakPolarHBondContact CB-O 3.32Å; F63-G84 WeakPolarHBondContact CA-O 3.21Å; F63-G84 WeakPolarHBondContact CB-O 3.46Å; F63-G84 WeakPolarHBondContact CD1-O 3.01Å; F63-G84 WeakPolarHBondContact CG-O 3.37Å; F63-K85 HydrophobicContact CE1-CG 4.39Å
64A98.3Very high96.4Very high5 Ų532 Ų324%0.04117%0.165CC..  trans-117.3157.9179.300000111.8S60 D62 T78 L79 T80S60-A64 PolarHBondContact N-O 2.92Å; S60-A64 VanDerWaalsContact N-O 3.13Å; D62-A64 PolarHBondContact O-N 2.9Å; D62-A64 PolarHBondContact OD1-N 3.11Å; A64-T78 HydrophobicContact CB-CG2 4.39Å; A64-L79 WeakPolarHBondContact CA-O 3.43Å; A64-T80 HydrophobicContact CB-CG2 4.16Å
65I98.6Very high96.7Very high0 Ų032.6 Ų32.60%017%0.166CC..EExtended strand (participates in β ladder)trans-111139.6165.1-58.2149.3000107.3L57 A58 T78 L79 V86 A89 S100L57-I65 HydrophobicContact CB-CG2 4.27Å; L57-I65 HydrophobicContact CD1-CG2 4.46Å; A58-I65 CarbonylContact O-C 3.58Å; A58-I65 VanDerWaalsContact O-CA 3.3Å; A58-I65 WeakPolarHBondContact O-CA 3.33Å; I65-T78 CarbonylContact O-C 3.58Å; I65-T78 WeakPolarHBondContact O-CA 3.27Å; I65-L79 HydrophobicContact CB-CB 4.16Å; I65-L79 HydrophobicContact CB-CD1 4.2Å; I65-L79 HydrophobicContact CB-CG 4.45Å; I65-L79 HydrophobicContact CD1-CD1 4.49Å; I65-L79 HydrophobicContact CG2-CD1 4.23Å; I65-L79 PolarHBondContact N-O 3.18Å; I65-L79 PolarHBondContact O-N 3.07Å; I65-V86 HydrophobicContact CD1-CG1 4.16Å; I65-V86 HydrophobicContact CG1-CB 4.5Å; I65-V86 HydrophobicContact CG1-CG1 3.82Å; I65-V86 HydrophobicContact CG1-CG2 4.27Å; I65-A89 HydrophobicContact CD1-CB 4.06Å; I65-A89 HydrophobicContact CG1-CB 4.18Å; I65-A89 HydrophobicContact CG2-CB 4.38Å; I65-S100 WeakPolarHBondContact CD1-OG 3.48Å
66R98.3Very high96.8Very high15 Ų1536.3 Ų36.36%0.05718%0.178CC..EExtended strand (participates in β ladder)trans-121.5148.3173.8-76.1175.7-172.878.4-11.7109.9G39 N41 L57 A58 D62 W68 L75 H77 T78G39-R66 PolarHBondContact O-NE 3.2Å; G39-R66 PolarHBondContact O-NH2 2.99Å; N41-R66 PolarHBondContact ND2-NH2 3.38Å; L57-R66 CarbonylContact C-O 3.57Å; L57-R66 WeakPolarHBondContact CA-O 3.42Å; A58-R66 PolarHBondContact N-O 3.29Å; A58-R66 PolarHBondContact O-N 3.28Å; D62-R66 IonicContact OD1-NH1 3.96Å; D62-R66 PolarHBondContact OD1-NH1 2.71Å; D62-R66 IonicContact OD2-CZ 3.01Å; D62-R66 IonicContact OD2-NH1 3.93Å; D62-R66 PolarHBondContact OD2-NH1 3.07Å; D62-R66 IonicContact OD2-NH2 3.91Å; D62-R66 PolarHBondContact OD2-NH2 3.28Å; R66-W68 HydrophobicContact CB-CE3 4.23Å; R66-W68 HydrophobicContact CB-CH2 3.19Å; R66-W68 HydrophobicContact CB-CZ2 3.6Å; R66-W68 HydrophobicContact CB-CZ3 3.53Å; R66-W68 HydrophobicContact CG-CH2 4.27Å; R66-W68 HydrophobicContact CG-CZ2 4.4Å; R66-W68 VanDerWaalsContact O-CZ3 3.25Å; R66-W68 WeakPolarHBondContact O-CZ3 3.48Å; R66-L75 HydrophobicContact CB-CD1 3.71Å; R66-L75 HydrophobicContact CG-CD1 3.91Å; R66-H77 WeakPolarHBondContact CA-O 3.34Å; R66-T78 HydrophobicContact CG-CG2 4.2Å
67I98.2Very high96.7Very high0 Ų037.9 Ų37.90%019%0.185CC..EExtended strand (participates in β ladder)trans-129.7129.7-178.9-52.8-176.5000108.4L55 V56 L57 R76 H77 L79 F91 V98 L112L55-I67 HydrophobicContact CB-CG2 4.08Å; L55-I67 HydrophobicContact CD1-CG2 4.28Å; L55-I67 HydrophobicContact CD2-CG2 4.27Å; L55-I67 HydrophobicContact CG-CG2 4.46Å; V56-I67 CarbonylContact O-C 3.53Å; V56-I67 WeakPolarHBondContact O-CA 3.38Å; L57-I67 HydrophobicContact CB-CG1 3.85Å; I67-R76 PolarHBondContact O-N 3.42Å; I67-H77 HydrophobicContact CB-CB 4.12Å; I67-H77 HydrophobicContact CD1-CB 4.22Å; I67-H77 HydrophobicContact CG1-CB 4.24Å; I67-H77 PolarHBondContact N-O 2.91Å; I67-H77 PolarHBondContact O-N 3.4Å; I67-L79 HydrophobicContact CD1-CD1 4.18Å; I67-F91 HydrophobicContact CD1-CE1 4.19Å; I67-F91 HydrophobicContact CD1-CZ 4.44Å; I67-F91 HydrophobicContact CG2-CE1 4.35Å; I67-F91 HydrophobicContact CG2-CZ 3.92Å; I67-V98 HydrophobicContact CD1-CG2 3.96Å; I67-L112 HydrophobicContact CD1-CD1 3.62Å; I67-L112 HydrophobicContact CD1-CD2 3.42Å; I67-L112 VanDerWaalsContact CD1-CD2 3.42Å; I67-L112 HydrophobicContact CD1-CG 4.18Å
68W98.1Very high96.7Very high3 Ų341.1 Ų41.11%0.01121%0.205CC..EExtended strand (participates in β ladder)trans-119.6152.4177.5-59.8-105.3000110.8L21 L37 T38 L55 V56 A58 R66 R74 L75L21-W68 HydrophobicContact CD1-CZ3 4.38Å; L37-W68 HydrophobicContact CB-CD2 4.23Å; L37-W68 HydrophobicContact CB-CG 4.16Å; L37-W68 HydrophobicContact CD1-CB 3.59Å; L37-W68 HydrophobicContact CD1-CD2 4.02Å; L37-W68 HydrophobicContact CD1-CE3 4.45Å; L37-W68 HydrophobicContact CD1-CG 3.64Å; L37-W68 HydrophobicContact CG-CG 4.46Å; T38-W68 PolarHBondContact O-NE1 3.13Å; L55-W68 WeakPolarHBondContact CA-O 3.32Å; V56-W68 HydrophobicContact CG1-CB 4.09Å; V56-W68 HydrophobicContact CG1-CE3 4.48Å; V56-W68 PolarHBondContact N-O 3.3Å; V56-W68 PolarHBondContact O-N 3.43Å; A58-W68 HydrophobicContact CB-CH2 3.98Å; A58-W68 HydrophobicContact CB-CZ3 3.63Å; R66-W68 HydrophobicContact CB-CE3 4.23Å; R66-W68 HydrophobicContact CB-CH2 3.19Å; R66-W68 HydrophobicContact CB-CZ2 3.6Å; R66-W68 HydrophobicContact CB-CZ3 3.53Å; R66-W68 HydrophobicContact CG-CH2 4.27Å; R66-W68 HydrophobicContact CG-CZ2 4.4Å; R66-W68 VanDerWaalsContact O-CZ3 3.25Å; R66-W68 WeakPolarHBondContact O-CZ3 3.48Å; W68-R74 CarbonylContact C-O 3.59Å; W68-R74 WeakPolarHBondContact CA-O 3.18Å; W68-L75 HydrophobicContact CD2-CD1 4.08Å; W68-L75 HydrophobicContact CG-CD1 4.34Å; W68-L75 HydrophobicContact CZ2-CD1 4.07Å
69G96Very high96.7Very high2 Ų241.4 Ų41.42%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-73.3130.716300000110.2N73 R74G69-N73 VanDerWaalsContact O-CA 3.22Å; G69-N73 WeakPolarHBondContact O-CA 3.45Å; G69-N73 PolarHBondContact O-N 3.18Å; G69-R74 PolarHBondContact N-O 2.98Å
70V92.6Very high96.7Very high16 Ų1646.2 Ų46.210%0.09724%0.236CC..THydrogen-bonded Turntrans-70.2-36-179.4172.80000111.4L11 L23 D53 T54 V56 N73L11-V70 HydrophobicContact CD2-CG1 3.57Å; L23-V70 HydrophobicContact CD1-CG1 4.26Å; D53-V70 WeakPolarHBondContact O-CB 3.28Å; D53-V70 WeakPolarHBondContact O-CG2 3.44Å; T54-V70 PolarHBondContact O-N 3.48Å; V56-V70 HydrophobicContact CB-CG2 3.99Å; V56-V70 HydrophobicContact CG1-CG2 4.07Å; V70-N73 PolarHBondContact O-OD1 2.61Å
71S91.6Very high96.6Very high111 Ų11148.5 Ų48.578%0.77626%0.259SS*.THydrogen-bonded Turntrans-78.5-30.8-175.856.40000114.3
72D92.6Very high96.7Very high57 Ų5747.5 Ų47.531%0.30525%0.254SS..THydrogen-bonded Turntrans-118.91.3-175.575.5-18.8000114.2R74 R76D72-R74 HydrophobicContact CB-CG 4.34Å; D72-R74 WeakPolarHBondContact O-CG 3.47Å; D72-R74 PolarHBondContact O-N 2.95Å; D72-R74 PolarHBondContact OD1-N 2.77Å; D72-R74 VanDerWaalsContact OD2-CD 3.29Å; D72-R74 WeakPolarHBondContact OD2-CD 3.36Å; D72-R74 WeakPolarHBondContact OD2-CG 3.43Å; D72-R74 IonicContact OD2-NE 3.32Å; D72-R76 IonicContact OD1-CZ 3.08Å; D72-R76 IonicContact OD1-NE 3.1Å; D72-R76 IonicContact OD1-NH2 2.73Å; D72-R76 PolarHBondContact OD1-NH2 2.92Å; D72-R76 IonicContact OD2-CZ 2.8Å; D72-R76 IonicContact OD2-NH2 2.89Å; D72-R76 PolarHBondContact OD2-NH2 2.93Å
73N94Very high96.7Very high49 Ų4950.9 Ų50.926%0.26228%0.279SS..  trans58.517.8177.5-63-24.8000114.2E35 L37 G69 V70E35-N73 WeakPolarHBondContact CG-ND2 3.41Å; E35-N73 PolarHBondContact OE2-ND2 2.94Å; E35-N73 VanDerWaalsContact OE2-ND2 3.08Å; L37-N73 HydrophobicContact CD2-CB 3.42Å; L37-N73 VanDerWaalsContact CD2-CB 3.42Å; L37-N73 WeakPolarHBondContact CD2-OD1 3.38Å; G69-N73 VanDerWaalsContact O-CA 3.22Å; G69-N73 WeakPolarHBondContact O-CA 3.45Å; G69-N73 PolarHBondContact O-N 3.18Å; V70-N73 PolarHBondContact O-OD1 2.61Å
74R96.3Very high96.7Very high169 Ų16947.1 Ų47.164%0.63827%0.265SS*.  trans-89.9133.6-175.5-67.6-168.9176.4175.5-3.4112W68 G69 D72 R76W68-R74 CarbonylContact C-O 3.59Å; W68-R74 WeakPolarHBondContact CA-O 3.18Å; G69-R74 PolarHBondContact N-O 2.98Å; D72-R74 HydrophobicContact CB-CG 4.34Å; D72-R74 WeakPolarHBondContact O-CG 3.47Å; D72-R74 PolarHBondContact O-N 2.95Å; D72-R74 PolarHBondContact OD1-N 2.77Å; D72-R74 VanDerWaalsContact OD2-CD 3.29Å; D72-R74 WeakPolarHBondContact OD2-CD 3.36Å; D72-R74 WeakPolarHBondContact OD2-CG 3.43Å; D72-R74 IonicContact OD2-NE 3.32Å; R74-R76 PolarHBondContact O-N 2.86Å
75L97.2Very high96.7Very high77 Ų7751.6 Ų51.640%0.40328%0.283SS..EExtended strand (participates in β ladder)trans-63.4121.8169.8-176.369.9000109.7R66 W68 H77R66-L75 HydrophobicContact CB-CD1 3.71Å; R66-L75 HydrophobicContact CG-CD1 3.91Å; W68-L75 HydrophobicContact CD2-CD1 4.08Å; W68-L75 HydrophobicContact CG-CD1 4.34Å; W68-L75 HydrophobicContact CZ2-CD1 4.07Å; L75-H77 WeakPolarHBondContact CD1-O 3.24Å
76R96.4Very high96.7Very high112 Ų11251.6 Ų51.642%0.42328%0.283SS..EExtended strand (participates in β ladder)trans-100-43.8-179.8-56.9-59.3-177.7162.7-0.4112L55 I67 D72 R74L55-R76 HydrophobicContact CD2-CG 4.24Å; I67-R76 PolarHBondContact O-N 3.42Å; D72-R76 IonicContact OD1-CZ 3.08Å; D72-R76 IonicContact OD1-NE 3.1Å; D72-R76 IonicContact OD1-NH2 2.73Å; D72-R76 PolarHBondContact OD1-NH2 2.92Å; D72-R76 IonicContact OD2-CZ 2.8Å; D72-R76 IonicContact OD2-NH2 2.89Å; D72-R76 PolarHBondContact OD2-NH2 2.93Å; R74-R76 PolarHBondContact O-N 2.86Å
77H96.8Very high96.6Very high34 Ų3452 Ų5216%0.15729%0.286CS..EExtended strand (participates in β ladder)trans-137.7145.3-175.8-58.4-80.5000111.7R66 I67 L75 L79 L112R66-H77 WeakPolarHBondContact CA-O 3.34Å; I67-H77 HydrophobicContact CB-CB 4.12Å; I67-H77 HydrophobicContact CD1-CB 4.22Å; I67-H77 HydrophobicContact CG1-CB 4.24Å; I67-H77 PolarHBondContact N-O 2.91Å; I67-H77 PolarHBondContact O-N 3.4Å; L75-H77 WeakPolarHBondContact CD1-O 3.24Å; H77-L79 HydrophobicContact CB-CD2 4.13Å; H77-L112 PolarHBondContact CE1-O 3.27Å
78T97.8Very high96.6Very high67 Ų6752 Ų5241%0.41129%0.286SS..EExtended strand (participates in β ladder)trans-124.6113.3162.8-59.20000106.9A64 I65 R66 T80A64-T78 HydrophobicContact CB-CG2 4.39Å; I65-T78 CarbonylContact O-C 3.58Å; I65-T78 WeakPolarHBondContact O-CA 3.27Å; R66-T78 HydrophobicContact CG-CG2 4.2Å; T78-T80 HydrophobicContact CG2-CG2 3.98Å
79L98.1Very high96.6Very high6 Ų651.9 Ų51.93%0.03129%0.287CS..EExtended strand (participates in β ladder)trans-99.3108.4-177.3-48.6177.1000108.2A64 I65 I67 H77 V98 W110 L112A64-L79 WeakPolarHBondContact CA-O 3.43Å; I65-L79 HydrophobicContact CB-CB 4.16Å; I65-L79 HydrophobicContact CB-CD1 4.2Å; I65-L79 HydrophobicContact CB-CG 4.45Å; I65-L79 HydrophobicContact CD1-CD1 4.49Å; I65-L79 HydrophobicContact CG2-CD1 4.23Å; I65-L79 PolarHBondContact N-O 3.18Å; I65-L79 PolarHBondContact O-N 3.07Å; I67-L79 HydrophobicContact CD1-CD1 4.18Å; H77-L79 HydrophobicContact CB-CD2 4.13Å; L79-V98 HydrophobicContact CD1-CB 4.44Å; L79-V98 HydrophobicContact CD1-CG1 4.43Å; L79-W110 HydrophobicContact CB-CD2 3.92Å; L79-W110 HydrophobicContact CB-CE3 3.8Å; L79-W110 HydrophobicContact CB-CH2 4.31Å; L79-W110 HydrophobicContact CB-CZ2 4.42Å; L79-W110 HydrophobicContact CB-CZ3 3.99Å; L79-W110 HydrophobicContact CD1-CB 3.85Å; L79-W110 HydrophobicContact CD1-CD2 4.04Å; L79-W110 HydrophobicContact CD1-CG 3.73Å; L79-W110 HydrophobicContact CD2-CE3 4.33Å; L79-W110 HydrophobicContact CG-CD2 4.42Å; L79-W110 HydrophobicContact CG-CE3 4.43Å; L79-L112 HydrophobicContact CD1-CD2 3.95Å; L79-L112 HydrophobicContact CD2-CD2 3.99Å
80T97.6Very high96.6Very high102 Ų10253.6 Ų53.663%0.62629%0.293SS*.  trans-113.5147.6179.559.30000110.6A64 T78 W110A64-T80 HydrophobicContact CB-CG2 4.16Å; T78-T80 HydrophobicContact CG2-CG2 3.98Å; T80-W110 VanDerWaalsContact O-CH2 3.27Å; T80-W110 WeakPolarHBondContact O-CH2 3.26Å; T80-W110 VanDerWaalsContact O-CZ3 3.28Å; T80-W110 WeakPolarHBondContact O-CZ3 3.37Å
81G96.8Very high96.7Very high47 Ų4754 Ų5449%0.48529%0.294SS..  trans146.8-15.4178.700000114.3K108G81-K108 VanDerWaalsContact O-CE 3.24Å; G81-K108 WeakPolarHBondContact O-CE 3.13Å
82H98.4Very high96.4Very high13 Ų1349.6 Ų49.66%0.0626%0.262CS..  trans-69.4148162.6-80.1-61.6000110.2F63 V86 S100 S102 D104 T106 W110F63-H82 HydrophobicContact CB-CB 4.49Å; F63-H82 WeakPolarHBondContact CB-O 3.32Å; H82-V86 HydrophobicContact CB-CG2 4.19Å; H82-S100 PolarHBondContact NE2-OG 3.1Å; H82-S102 VanDerWaalsContact CE1-CB 3.4Å; H82-S102 WeakPolarHBondContact CE1-CB 3.37Å; H82-S102 WeakPolarHBondContact ND1-CB 3.21Å; H82-D104 WeakPolarHBondContact CA-OD2 3.23Å; H82-D104 WeakPolarHBondContact CB-OD2 3.29Å; H82-D104 IonicContact CE1-OD1 3.21Å; H82-D104 IonicContact CE1-OD2 2.78Å; H82-D104 IonicContact CG-OD2 3.89Å; H82-D104 VanDerWaalsContact CG-OD2 3.31Å; H82-D104 IonicContact ND1-OD1 3.37Å; H82-D104 PolarHBondContact ND1-OD1 2.97Å; H82-D104 IonicContact ND1-OD2 2.75Å; H82-D104 PolarHBondContact ND1-OD2 2.79Å; H82-T106 PolarHBondContact CE1-OG1 3.41Å; H82-T106 VanDerWaalsContact CE1-OG1 3.27Å; H82-T106 PolarHBondContact ND1-OG1 2.8Å; H82-W110 AromaticContact CD2-CZ2 3.93Å
83S98.2Very high95.4Very high97 Ų9749.7 Ų49.768%0.67828%0.277SS*.SBendtrans-110.912.1178.157.70000112.5D104S83-D104 PolarHBondContact N-OD2 3.43Å; S83-D104 VanDerWaalsContact OG-CB 3.31Å; S83-D104 WeakPolarHBondContact OG-CB 3.32Å
84G98.2Very high94Very high8 Ų851.7 Ų51.78%0.08229%0.285CS..SBendtrans-150.7175.6179.200000110.9F63 V86 S102F63-G84 WeakPolarHBondContact CA-O 3.21Å; F63-G84 WeakPolarHBondContact CB-O 3.46Å; F63-G84 WeakPolarHBondContact CD1-O 3.01Å; F63-G84 WeakPolarHBondContact CG-O 3.37Å; G84-V86 PolarHBondContact O-N 2.85Å; G84-S102 PolarHBondContact O-OG 3.26Å
85K98.2Very high92.5Very high98 Ų9852 Ų5243%0.42629%0.293SS..  trans-56.3126.5-178.6-60.9172.4177175.20109.9N61 F63 L87 S102 N103N61-K85 HydrophobicContact CB-CG 4.31Å; N61-K85 VanDerWaalsContact OD1-CD 3.28Å; N61-K85 WeakPolarHBondContact OD1-CD 3.18Å; N61-K85 VanDerWaalsContact OD1-CG 3.32Å; N61-K85 WeakPolarHBondContact OD1-CG 3.42Å; F63-K85 HydrophobicContact CE1-CG 4.39Å; K85-L87 HydrophobicContact CB-CD2 4.02Å; K85-L87 PolarHBondContact O-N 3.41Å; K85-S102 VanDerWaalsContact O-CA 3.3Å; K85-S102 WeakPolarHBondContact O-CA 3.48Å; K85-S102 PolarHBondContact O-OG 2.89Å; K85-S102 VanDerWaalsContact O-OG 3.12Å; K85-N103 HydrophobicContact CB-CB 4.3Å; K85-N103 PolarHBondContact O-N 3.35Å
86V98.6Very high91.9Very high0 Ų051.8 Ų51.80%029%0.293CS..EExtended strand (participates in β ladder)trans-75.4119.1170.1-177.60000107T45 S60 I65 H82 G84T45-V86 WeakPolarHBondContact CB-O 3.38Å; T45-V86 PolarHBondContact OG1-O 3.26Å; S60-V86 PolarHBondContact O-N 3.24Å; I65-V86 HydrophobicContact CD1-CG1 4.16Å; I65-V86 HydrophobicContact CG1-CB 4.5Å; I65-V86 HydrophobicContact CG1-CG1 3.82Å; I65-V86 HydrophobicContact CG1-CG2 4.27Å; H82-V86 HydrophobicContact CB-CG2 4.19Å; G84-V86 PolarHBondContact O-N 2.85Å
87L97.9Very high91.7Very high23 Ų2348.1 Ų48.112%0.1228%0.281CS..EExtended strand (participates in β ladder)trans-101.5-23.8-175.4-61.5-178.4000112.1C46 K85 G101 N103 C127 R217C46-L87 WeakPolarHBondContact CB-O 3.13Å; K85-L87 HydrophobicContact CB-CD2 4.02Å; K85-L87 PolarHBondContact O-N 3.41Å; L87-G101 PolarHBondContact N-O 2.77Å; L87-N103 HydrophobicContact CD1-CB 4.26Å; L87-C127 WeakPolarHBondContact CB-O 3.27Å; L87-C127 WeakPolarHBondContact CD1-O 3.44Å; L87-R217 PolarHBondContact O-NH2 3.38Å
88C97.8Very high91.6Very high0 Ų046.5 Ų46.50%027%0.273CS..EExtended strand (participates in β ladder)trans-149.2146.917752.30000110.8C46 S100 G101 D129 L130C46-C88 VanDerWaalsContact SG-C 3.54Å; C46-C88 WeakPolarHBondContact SG-CA 3.45Å; C88-S100 CarbonylContact O-C 3.55Å; C88-S100 VanDerWaalsContact O-CA 3.27Å; C88-S100 WeakPolarHBondContact O-CA 3.47Å; C88-S100 WeakPolarHBondContact O-CB 3.26Å; C88-G101 PolarHBondContact N-O 2.85Å; C88-G101 PolarHBondContact O-N 3.37Å; C88-G101 VanDerWaalsContact SG-CA 3.56Å; C88-D129 WeakPolarHBondContact CB-OD1 3.28Å; C88-D129 VanDerWaalsContact SG-C 3.56Å; C88-D129 VanDerWaalsContact SG-CA 3.54Å; C88-L130 HydrophobicContact CB-CG 4.16Å
89A98Very high91.5Very high2 Ų243.4 Ų43.42%0.01725%0.254CS..EExtended strand (participates in β ladder)trans-152.4140.3172.300000108.1C46 L57 I65 V98 V99C46-A89 PolarHBondContact SG-N 3.08Å; C46-A89 VanDerWaalsContact SG-N 3.42Å; L57-A89 HydrophobicContact CD1-CB 3.62Å; I65-A89 HydrophobicContact CD1-CB 4.06Å; I65-A89 HydrophobicContact CG1-CB 4.18Å; I65-A89 HydrophobicContact CG2-CB 4.38Å; A89-V98 HydrophobicContact CB-CG1 4.49Å; A89-V99 CarbonylContact C-O 3.58Å; A89-V99 WeakPolarHBondContact CA-O 3.35Å
90K96Very high91.5Very high37 Ų3743.1 Ų43.116%0.16125%0.253CS..EExtended strand (participates in β ladder)trans-138.4138.5-177.6-67.7-63.4-173.2167.50111.1D48 V98 V99 L130 L132D48-K90 HydrophobicContact CB-CD 4.07Å; D48-K90 VanDerWaalsContact OD1-CD 3.26Å; D48-K90 WeakPolarHBondContact OD1-CD 3.49Å; D48-K90 IonicContact OD1-NZ 2.8Å; D48-K90 PolarHBondContact OD1-NZ 3.38Å; D48-K90 VanDerWaalsContact OD2-CA 3.26Å; D48-K90 WeakPolarHBondContact OD2-CA 3.3Å; D48-K90 VanDerWaalsContact OD2-CD 3.29Å; D48-K90 WeakPolarHBondContact OD2-CD 3.26Å; K90-V98 CarbonylContact O-C 3.54Å; K90-V98 WeakPolarHBondContact O-CA 3.4Å; K90-V99 PolarHBondContact N-O 2.68Å; K90-V99 PolarHBondContact O-N 3.45Å; K90-L130 HydrophobicContact CB-CD1 3.84Å; K90-L130 HydrophobicContact CG-CD1 3.59Å; K90-L132 HydrophobicContact CB-CD1 4.07Å; K90-L132 HydrophobicContact CB-CG 4.39Å
91F93.4Very high91.5Very high25 Ų2538.3 Ų38.311%0.1122%0.223CC..EExtended strand (participates in β ladder)trans-67.6144.1163.8-72.8-76.9000109D48 S50 L55 L57 I67 V98 L112 L132D48-F91 HydrophobicContact CB-CD2 4.39Å; D48-F91 PolarHBondContact OD2-N 3.09Å; S50-F91 VanDerWaalsContact N-CD2 3.33Å; L55-F91 HydrophobicContact CB-CE1 4.18Å; L55-F91 HydrophobicContact CB-CE2 4.35Å; L55-F91 HydrophobicContact CB-CZ 3.64Å; L55-F91 HydrophobicContact CD1-CE1 4.21Å; L55-F91 HydrophobicContact CD1-CZ 4.47Å; L57-F91 HydrophobicContact CB-CE2 3.82Å; L57-F91 HydrophobicContact CB-CZ 3.88Å; L57-F91 HydrophobicContact CD2-CD1 4.17Å; L57-F91 HydrophobicContact CD2-CD2 3.55Å; L57-F91 HydrophobicContact CD2-CE1 4.11Å; L57-F91 HydrophobicContact CD2-CE2 3.51Å; L57-F91 HydrophobicContact CD2-CG 3.91Å; L57-F91 HydrophobicContact CD2-CZ 3.79Å; L57-F91 HydrophobicContact CG-CD2 3.97Å; L57-F91 HydrophobicContact CG-CE2 3.57Å; L57-F91 HydrophobicContact CG-CZ 4.05Å; I67-F91 HydrophobicContact CD1-CE1 4.19Å; I67-F91 HydrophobicContact CD1-CZ 4.44Å; I67-F91 HydrophobicContact CG2-CE1 4.35Å; I67-F91 HydrophobicContact CG2-CZ 3.92Å; F91-V98 HydrophobicContact CD1-CG2 3.71Å; F91-V98 HydrophobicContact CE1-CG2 3.92Å; F91-V98 HydrophobicContact CG-CG2 4.47Å; F91-L112 HydrophobicContact CE1-CD1 4.18Å; F91-L132 VanDerWaalsContact O-CD1 3.3Å; F91-L132 WeakPolarHBondContact O-CD1 3.44Å
92T86.7Confident91.6Very high18 Ų1836 Ų3611%0.1120%0.2CC..  trans-90.6159.3169.580.90000110.4Q94 M97 V99 L132 V138T92-Q94 PolarHBondContact O-N 3.45Å; T92-Q94 VanDerWaalsContact O-O 3.13Å; T92-Q94 WeakPolarHBondContact OG1-CB 3.32Å; T92-Q94 PolarHBondContact OG1-N 3.46Å; T92-Q94 PolarHBondContact OG1-O 2.92Å; T92-M97 HydrophobicContact CG2-CB 3.9Å; T92-M97 PolarHBondContact N-O 3.21Å; T92-M97 WeakPolarHBondContact OG1-CB 3.21Å; T92-V99 HydrophobicContact CG2-CG2 3.78Å; T92-L132 HydrophobicContact CG2-CD1 3.79Å; T92-V138 HydrophobicContact CG2-CG1 4.48Å
93G70.2Confident91.6Very high60 Ų6039.3 Ų39.362%0.61922%0.218SC*.SBendtrans-63.1-17.9171.200000114.2
94Q66.2Low91.6Very high90 Ų9036.1 Ų36.142%0.42119%0.193SC..SBendtrans-75.4128.4168-61.6-71.7-6.100109.2T92 D96 S136T92-Q94 PolarHBondContact O-N 3.45Å; T92-Q94 VanDerWaalsContact O-O 3.13Å; T92-Q94 WeakPolarHBondContact OG1-CB 3.32Å; T92-Q94 PolarHBondContact OG1-N 3.46Å; T92-Q94 PolarHBondContact OG1-O 2.92Å; Q94-D96 PolarHBondContact O-N 2.8Å; Q94-S136 PolarHBondContact NE2-O 2.91Å
95Q64.4Low91.6Very high175 Ų17543 Ų4382%0.81822%0.217SC*.THydrogen-bonded Turntrans-52.2137.9174.6-75.5179.9-22.500110M97Q95-M97 PolarHBondContact O-N 3.13Å
96D84.3Confident91.6Very high73 Ų7339.1 Ų39.139%0.3920%0.201SC..THydrogen-bonded Turntrans69.422.1172.9-54.7-34000117.8Q94 L112 Q113Q94-D96 PolarHBondContact O-N 2.8Å; D96-L112 HydrophobicContact CB-CB 4.11Å; D96-L112 WeakPolarHBondContact O-CB 3.47Å; D96-L112 WeakPolarHBondContact O-CG 3.31Å; D96-L112 PolarHBondContact O-N 2.86Å; D96-Q113 HydrophobicContact CB-CB 4.43Å
97M91.4Very high91.5Very high36 Ų3639.1 Ų39.118%0.17720%0.201CC..EExtended strand (participates in β ladder)trans-122.4141.6174.3-60.9-66.9-6200112.4T92 Q95 I109 W110 N111T92-M97 HydrophobicContact CG2-CB 3.9Å; T92-M97 PolarHBondContact N-O 3.21Å; T92-M97 WeakPolarHBondContact OG1-CB 3.21Å; Q95-M97 PolarHBondContact O-N 3.13Å; M97-I109 HydrophobicContact CE-CG2 3.37Å; M97-W110 WeakPolarHBondContact CA-O 3.26Å; M97-W110 WeakPolarHBondContact CE-O 3.45Å; M97-N111 HydrophobicContact CE-CB 4.16Å; M97-N111 WeakPolarHBondContact SD-CA 3.46Å; M97-N111 HydrophobicContact SD-CB 3.5Å; M97-N111 WeakPolarHBondContact SD-CB 3.46Å; M97-N111 PolarHBondContact SD-ND2 3.41Å
98V95.7Very high91.5Very high0 Ų039 Ų390%020%0.2CC..EExtended strand (participates in β ladder)trans-129.8140.2176.2171.40000109.3L57 I67 L79 A89 K90 F91 I109 W110 L112L57-V98 HydrophobicContact CD2-CG1 3.83Å; L57-V98 HydrophobicContact CD2-CG2 3.9Å; I67-V98 HydrophobicContact CD1-CG2 3.96Å; L79-V98 HydrophobicContact CD1-CB 4.44Å; L79-V98 HydrophobicContact CD1-CG1 4.43Å; A89-V98 HydrophobicContact CB-CG1 4.49Å; K90-V98 CarbonylContact O-C 3.54Å; K90-V98 WeakPolarHBondContact O-CA 3.4Å; F91-V98 HydrophobicContact CD1-CG2 3.71Å; F91-V98 HydrophobicContact CE1-CG2 3.92Å; F91-V98 HydrophobicContact CG-CG2 4.47Å; V98-I109 CarbonylContact O-C 3.52Å; V98-I109 WeakPolarHBondContact O-CA 3.47Å; V98-W110 HydrophobicContact CB-CB 4.29Å; V98-W110 PolarHBondContact N-O 2.67Å; V98-W110 PolarHBondContact O-N 2.83Å; V98-L112 HydrophobicContact CG2-CD1 4.09Å; V98-L112 HydrophobicContact CG2-CD2 4.04Å; V98-L112 HydrophobicContact CG2-CG 4.28Å
99V96Very high91.4Very high2 Ų239.8 Ų39.81%0.01220%0.204CC..EExtended strand (participates in β ladder)trans-114.4136.8171.8-177.70000108.9A89 K90 T92 K108 I109 L130 L132 I140A89-V99 CarbonylContact C-O 3.58Å; A89-V99 WeakPolarHBondContact CA-O 3.35Å; K90-V99 PolarHBondContact N-O 2.68Å; K90-V99 PolarHBondContact O-N 3.45Å; T92-V99 HydrophobicContact CG2-CG2 3.78Å; V99-K108 CarbonylContact C-O 3.54Å; V99-K108 WeakPolarHBondContact CA-O 3.34Å; V99-I109 HydrophobicContact CG2-CG1 4.35Å; V99-I109 HydrophobicContact CG2-CG2 4.42Å; V99-L130 HydrophobicContact CB-CD1 4.37Å; V99-L130 HydrophobicContact CG1-CD1 4.2Å; V99-L130 HydrophobicContact CG1-CD2 3.89Å; V99-L132 HydrophobicContact CB-CD2 4.16Å; V99-L132 HydrophobicContact CG1-CD2 4.46Å; V99-L132 HydrophobicContact CG2-CD2 4.04Å; V99-I140 HydrophobicContact CG1-CD1 3.75Å; V99-I140 HydrophobicContact CG1-CG1 4.08Å; V99-I140 HydrophobicContact CG1-CG2 3.97Å; V99-I140 HydrophobicContact CG2-CD1 3.98Å; V99-I140 HydrophobicContact CG2-CG1 4.19Å
100S98Very high91.3Very high0 Ų039.9 Ų39.90%020%0.203CC..EExtended strand (participates in β ladder)trans-133.9151.6177.961.40000113.5I65 H82 C88 L107 K108 W110 L130I65-S100 WeakPolarHBondContact CD1-OG 3.48Å; H82-S100 PolarHBondContact NE2-OG 3.1Å; C88-S100 CarbonylContact O-C 3.55Å; C88-S100 VanDerWaalsContact O-CA 3.27Å; C88-S100 WeakPolarHBondContact O-CA 3.47Å; C88-S100 WeakPolarHBondContact O-CB 3.26Å; S100-L107 CarbonylContact O-C 3.5Å; S100-L107 WeakPolarHBondContact O-CA 3.43Å; S100-K108 PolarHBondContact N-O 2.83Å; S100-K108 PolarHBondContact O-N 3.48Å; S100-W110 PolarHBondContact OG-NE1 3.11Å; S100-L130 VanDerWaalsContact C-CD2 3.48Å
101G98Very high91.2Very high0 Ų039.3 Ų39.30%020%0.202CC..EExtended strand (participates in β ladder)trans-124.1145.4173.700000111.3L87 C88L87-G101 PolarHBondContact N-O 2.77Å; C88-G101 PolarHBondContact N-O 2.85Å; C88-G101 PolarHBondContact O-N 3.37Å; C88-G101 VanDerWaalsContact SG-CA 3.56Å
102S98.6Very high91.2Very high0 Ų038.3 Ų38.30%020%0.198CC..EExtended strand (participates in β ladder)trans-140.7158.8-169.4171.60000112.7H82 G84 K85 D104 R105 T106 C127H82-S102 VanDerWaalsContact CE1-CB 3.4Å; H82-S102 WeakPolarHBondContact CE1-CB 3.37Å; H82-S102 WeakPolarHBondContact ND1-CB 3.21Å; G84-S102 PolarHBondContact O-OG 3.26Å; K85-S102 VanDerWaalsContact O-CA 3.3Å; K85-S102 WeakPolarHBondContact O-CA 3.48Å; K85-S102 PolarHBondContact O-OG 2.89Å; K85-S102 VanDerWaalsContact O-OG 3.12Å; S102-D104 VanDerWaalsContact CB-OD1 3.23Å; S102-D104 WeakPolarHBondContact CB-OD1 3.42Å; S102-D104 PolarHBondContact O-N 2.88Å; S102-D104 PolarHBondContact OG-N 2.88Å; S102-D104 VanDerWaalsContact OG-N 3.1Å; S102-D104 PolarHBondContact OG-OD1 2.83Å; S102-D104 PolarHBondContact OG-OD2 2.87Å; S102-R105 PolarHBondContact O-N 2.94Å; S102-T106 PolarHBondContact N-O 2.99Å; S102-C127 PolarHBondContact O-N 3.38Å
103N98.1Very high91.5Very high82 Ų8244.7 Ų44.744%0.43923%0.227SC..THydrogen-bonded Turntrans-68.2-11.2170.5-166.859000113.6K85 L87 R105 S126K85-N103 HydrophobicContact CB-CB 4.3Å; K85-N103 PolarHBondContact O-N 3.35Å; L87-N103 HydrophobicContact CD1-CB 4.26Å; N103-R105 PolarHBondContact O-N 2.86Å; N103-S126 WeakPolarHBondContact CA-OG 3.48Å; N103-S126 WeakPolarHBondContact OD1-CB 3.47Å; N103-S126 PolarHBondContact OD1-OG 3.4Å
104D98.4Very high92.5Very high29 Ų2950.9 Ų50.916%0.15523%0.231CC..THydrogen-bonded Turntrans-74.34.3170.265.123.4000114.1H82 S83 S102 T106H82-D104 WeakPolarHBondContact CA-OD2 3.23Å; H82-D104 WeakPolarHBondContact CB-OD2 3.29Å; H82-D104 IonicContact CE1-OD1 3.21Å; H82-D104 IonicContact CE1-OD2 2.78Å; H82-D104 IonicContact CG-OD2 3.89Å; H82-D104 VanDerWaalsContact CG-OD2 3.31Å; H82-D104 IonicContact ND1-OD1 3.37Å; H82-D104 PolarHBondContact ND1-OD1 2.97Å; H82-D104 IonicContact ND1-OD2 2.75Å; H82-D104 PolarHBondContact ND1-OD2 2.79Å; S83-D104 PolarHBondContact N-OD2 3.43Å; S83-D104 VanDerWaalsContact OG-CB 3.31Å; S83-D104 WeakPolarHBondContact OG-CB 3.32Å; S102-D104 VanDerWaalsContact CB-OD1 3.23Å; S102-D104 WeakPolarHBondContact CB-OD1 3.42Å; S102-D104 PolarHBondContact O-N 2.88Å; S102-D104 PolarHBondContact OG-N 2.88Å; S102-D104 VanDerWaalsContact OG-N 3.1Å; S102-D104 PolarHBondContact OG-OD1 2.83Å; S102-D104 PolarHBondContact OG-OD2 2.87Å; D104-T106 VanDerWaalsContact C-N 3.28Å; D104-T106 PolarHBondContact O-N 2.72Å; D104-T106 WeakPolarHBondContact OD1-CB 3.48Å; D104-T106 PolarHBondContact OD1-N 2.94Å; D104-T106 PolarHBondContact OD1-OG1 2.87Å
105R98.2Very high93.7Very high154 Ų15455.6 Ų55.658%0.58125%0.245SC*.SBendtrans66.628.6178.3-43.1178.9-171.4166.51.3113.5S102 N103 P123 S125S102-R105 PolarHBondContact O-N 2.94Å; N103-R105 PolarHBondContact O-N 2.86Å; R105-P123 VanDerWaalsContact O-CD 3.23Å; R105-P123 WeakPolarHBondContact O-CD 3.11Å; R105-P123 WeakPolarHBondContact O-CG 3.36Å; R105-S125 VanDerWaalsContact CA-O 3.27Å; R105-S125 WeakPolarHBondContact CA-O 3.4Å; R105-S125 WeakPolarHBondContact CB-O 3.4Å
106T97.8Very high95.1Very high15 Ų1549.5 Ų49.59%0.09223%0.225CC..  trans-121.5149.4171.971.80000111.7H82 S102 D104 T120 L121 F122H82-T106 PolarHBondContact CE1-OG1 3.41Å; H82-T106 VanDerWaalsContact CE1-OG1 3.27Å; H82-T106 PolarHBondContact ND1-OG1 2.8Å; S102-T106 PolarHBondContact N-O 2.99Å; D104-T106 VanDerWaalsContact C-N 3.28Å; D104-T106 PolarHBondContact O-N 2.72Å; D104-T106 WeakPolarHBondContact OD1-CB 3.48Å; D104-T106 PolarHBondContact OD1-N 2.94Å; D104-T106 PolarHBondContact OD1-OG1 2.87Å; T106-T120 HydrophobicContact CG2-CG2 3.98Å; T106-L121 WeakPolarHBondContact CA-O 3.48Å; T106-F122 HydrophobicContact CG2-CD1 4.12Å; T106-F122 HydrophobicContact CG2-CE1 4.07Å
107L97.3Very high95.6Very high0 Ų048.3 Ų48.30%022%0.221CC..EExtended strand (participates in β ladder)trans-103.5139.5158.1-47.3175.1000108S100 T120 L121 P123 C127 L130 I140 W152S100-L107 CarbonylContact O-C 3.5Å; S100-L107 WeakPolarHBondContact O-CA 3.43Å; L107-T120 CarbonylContact O-C 3.54Å; L107-T120 WeakPolarHBondContact O-CA 3.2Å; L107-L121 HydrophobicContact CB-CB 4.15Å; L107-L121 HydrophobicContact CB-CD1 4.47Å; L107-L121 HydrophobicContact CD1-CD1 4.37Å; L107-L121 PolarHBondContact N-O 3.44Å; L107-L121 PolarHBondContact O-N 3.31Å; L107-P123 HydrophobicContact CG-CG 4.23Å; L107-C127 HydrophobicContact CD2-CB 3.62Å; L107-C127 WeakPolarHBondContact CD2-SG 3.49Å; L107-L130 HydrophobicContact CD2-CD2 4.49Å; L107-I140 HydrophobicContact CD1-CG2 4.25Å; L107-W152 HydrophobicContact CD1-CD2 4.37Å; L107-W152 HydrophobicContact CD1-CG 4.43Å; L107-W152 HydrophobicContact CD1-CZ2 4.32Å
108K97.1Very high95.7Very high22 Ų2249.9 Ų49.910%0.09624%0.236CC..EExtended strand (participates in β ladder)trans-122.5138176.9-71.6-178.9-176.1-73.20110.7G81 V99 S100 W110 K119 T120G81-K108 VanDerWaalsContact O-CE 3.24Å; G81-K108 WeakPolarHBondContact O-CE 3.13Å; V99-K108 CarbonylContact C-O 3.54Å; V99-K108 WeakPolarHBondContact CA-O 3.34Å; S100-K108 PolarHBondContact N-O 2.83Å; S100-K108 PolarHBondContact O-N 3.48Å; K108-W110 HydrophobicContact CB-CZ2 3.69Å; K108-W110 HydrophobicContact CD-CH2 3.8Å; K108-W110 HydrophobicContact CD-CZ2 3.46Å; K108-W110 VanDerWaalsContact CD-CZ2 3.46Å; K108-W110 HydrophobicContact CG-CZ2 4.2Å; K108-K119 WeakPolarHBondContact CA-O 3.39Å; K108-T120 HydrophobicContact CG-CG2 4.32Å; K108-T120 PolarHBondContact NZ-OG1 2.99Å
109I94.8Very high95.5Very high15 Ų1551.8 Ų51.88%0.07724%0.244CC..EExtended strand (participates in β ladder)trans-108.4121.9173.6-50.9-178.3000106.9M97 V98 V99 C117 S118 K119 I140M97-I109 HydrophobicContact CE-CG2 3.37Å; V98-I109 CarbonylContact O-C 3.52Å; V98-I109 WeakPolarHBondContact O-CA 3.47Å; V99-I109 HydrophobicContact CG2-CG1 4.35Å; V99-I109 HydrophobicContact CG2-CG2 4.42Å; I109-C117 CarbonylContact O-C 3.58Å; I109-S118 PolarHBondContact O-N 3.24Å; I109-K119 HydrophobicContact CB-CB 4.11Å; I109-K119 HydrophobicContact CD1-CB 4.12Å; I109-K119 HydrophobicContact CD1-CD 4.18Å; I109-K119 HydrophobicContact CG1-CB 4.25Å; I109-K119 PolarHBondContact N-O 3.47Å; I109-K119 PolarHBondContact O-N 3.35Å; I109-I140 HydrophobicContact CD1-CD1 3.7Å; I109-I140 HydrophobicContact CG1-CD1 4.04Å
110W96.2Very high95.5Very high4 Ų453.7 Ų53.72%0.01526%0.256CS..EExtended strand (participates in β ladder)trans-110.7134.8-174.6-51.389.4000109.7L79 T80 H82 M97 V98 S100 K108 C117L79-W110 HydrophobicContact CB-CD2 3.92Å; L79-W110 HydrophobicContact CB-CE3 3.8Å; L79-W110 HydrophobicContact CB-CH2 4.31Å; L79-W110 HydrophobicContact CB-CZ2 4.42Å; L79-W110 HydrophobicContact CB-CZ3 3.99Å; L79-W110 HydrophobicContact CD1-CB 3.85Å; L79-W110 HydrophobicContact CD1-CD2 4.04Å; L79-W110 HydrophobicContact CD1-CG 3.73Å; L79-W110 HydrophobicContact CD2-CE3 4.33Å; L79-W110 HydrophobicContact CG-CD2 4.42Å; L79-W110 HydrophobicContact CG-CE3 4.43Å; T80-W110 VanDerWaalsContact O-CH2 3.27Å; T80-W110 WeakPolarHBondContact O-CH2 3.26Å; T80-W110 VanDerWaalsContact O-CZ3 3.28Å; T80-W110 WeakPolarHBondContact O-CZ3 3.37Å; H82-W110 AromaticContact CD2-CZ2 3.93Å; M97-W110 WeakPolarHBondContact CA-O 3.26Å; M97-W110 WeakPolarHBondContact CE-O 3.45Å; V98-W110 HydrophobicContact CB-CB 4.29Å; V98-W110 PolarHBondContact N-O 2.67Å; V98-W110 PolarHBondContact O-N 2.83Å; S100-W110 PolarHBondContact OG-NE1 3.11Å; K108-W110 HydrophobicContact CB-CZ2 3.69Å; K108-W110 HydrophobicContact CD-CH2 3.8Å; K108-W110 HydrophobicContact CD-CZ2 3.46Å; K108-W110 VanDerWaalsContact CD-CZ2 3.46Å; K108-W110 HydrophobicContact CG-CZ2 4.2Å; W110-C117 HydrophobicContact CD2-CB 4.46Å; W110-C117 HydrophobicContact CE3-CB 3.76Å; W110-C117 HydrophobicContact CH2-CB 4.24Å; W110-C117 HydrophobicContact CZ3-CB 3.64Å
111N94.1Very high95.4Very high26 Ų2653.8 Ų53.814%0.13926%0.257CS..EExtended strand (participates in β ladder)trans-103114.3169.5-176.8-60.3000108.3M97 Q113 R114 R115 A116M97-N111 HydrophobicContact CE-CB 4.16Å; M97-N111 WeakPolarHBondContact SD-CA 3.46Å; M97-N111 HydrophobicContact SD-CB 3.5Å; M97-N111 WeakPolarHBondContact SD-CB 3.46Å; M97-N111 PolarHBondContact SD-ND2 3.41Å; N111-Q113 WeakPolarHBondContact OD1-CB 3.28Å; N111-Q113 PolarHBondContact OD1-N 3.12Å; N111-Q113 VanDerWaalsContact OD1-N 3.17Å; N111-R114 HydrophobicContact CB-CB 4.13Å; N111-R114 HydrophobicContact CB-CG 4.48Å; N111-R114 PolarHBondContact O-N 3.13Å; N111-R114 WeakPolarHBondContact OD1-CB 3.36Å; N111-R114 WeakPolarHBondContact OD1-CG 3.06Å; N111-R114 PolarHBondContact OD1-N 3.49Å; N111-R115 WeakPolarHBondContact O-CA 3.28Å; N111-R115 PolarHBondContact O-N 2.86Å; N111-A116 PolarHBondContact N-O 3.45Å; N111-A116 PolarHBondContact O-N 3.44Å
112L94.3Very high95.3Very high3 Ų360.8 Ų60.82%0.01629%0.287CS..THydrogen-bonded Turntrans-70.7-35.6-174.7-57.5-173000111.8I67 H77 L79 F91 D96 V98 R115I67-L112 HydrophobicContact CD1-CD1 3.62Å; I67-L112 HydrophobicContact CD1-CD2 3.42Å; I67-L112 VanDerWaalsContact CD1-CD2 3.42Å; I67-L112 HydrophobicContact CD1-CG 4.18Å; H77-L112 PolarHBondContact CE1-O 3.27Å; L79-L112 HydrophobicContact CD1-CD2 3.95Å; L79-L112 HydrophobicContact CD2-CD2 3.99Å; F91-L112 HydrophobicContact CE1-CD1 4.18Å; D96-L112 HydrophobicContact CB-CB 4.11Å; D96-L112 WeakPolarHBondContact O-CB 3.47Å; D96-L112 WeakPolarHBondContact O-CG 3.31Å; D96-L112 PolarHBondContact O-N 2.86Å; V98-L112 HydrophobicContact CG2-CD1 4.09Å; V98-L112 HydrophobicContact CG2-CD2 4.04Å; V98-L112 HydrophobicContact CG2-CG 4.28Å; L112-R115 VanDerWaalsContact O-CG 3.25Å; L112-R115 WeakPolarHBondContact O-CG 3.08Å; L112-R115 PolarHBondContact O-N 3.41Å
113Q92.8Very high95.1Very high153 Ų15360.9 Ų60.972%0.71529%0.288SS*.THydrogen-bonded Turntrans-64-45.1176.1-166.6-174.320.200111.3D96 N111 R115D96-Q113 HydrophobicContact CB-CB 4.43Å; N111-Q113 WeakPolarHBondContact OD1-CB 3.28Å; N111-Q113 PolarHBondContact OD1-N 3.12Å; N111-Q113 VanDerWaalsContact OD1-N 3.17Å; Q113-R115 VanDerWaalsContact C-N 3.27Å; Q113-R115 PolarHBondContact O-N 3.28Å
114R91.8Very high94.9Very high190 Ų19060.9 Ų60.972%0.71730%0.299SS*.THydrogen-bonded Turntrans-78.5-10.7175.3-65.6-177.9175.8-175.8-1.3113.2N111 A116N111-R114 HydrophobicContact CB-CB 4.13Å; N111-R114 HydrophobicContact CB-CG 4.48Å; N111-R114 PolarHBondContact O-N 3.13Å; N111-R114 WeakPolarHBondContact OD1-CB 3.36Å; N111-R114 WeakPolarHBondContact OD1-CG 3.06Å; N111-R114 PolarHBondContact OD1-N 3.49Å; R114-A116 HydrophobicContact CB-CB 4.48Å; R114-A116 PolarHBondContact O-N 2.83Å
115R90.9Very high94.8Very high189 Ų18959.9 Ų59.971%0.71330%0.295SS*.THydrogen-bonded Turntrans50.338.8-175.8-57.4-176.9176.7-166.7-1.6113N111 L112 Q113N111-R115 WeakPolarHBondContact O-CA 3.28Å; N111-R115 PolarHBondContact O-N 2.86Å; L112-R115 VanDerWaalsContact O-CG 3.25Å; L112-R115 WeakPolarHBondContact O-CG 3.08Å; L112-R115 PolarHBondContact O-N 3.41Å; Q113-R115 VanDerWaalsContact C-N 3.27Å; Q113-R115 PolarHBondContact O-N 3.28Å
116A93.8Very high94.8Very high47 Ų4753 Ų5339%0.38827%0.27SS..EExtended strand (participates in β ladder)trans-142.1154.2-172.700000112.2N111 R114 S118N111-A116 PolarHBondContact N-O 3.45Å; N111-A116 PolarHBondContact O-N 3.44Å; R114-A116 HydrophobicContact CB-CB 4.48Å; R114-A116 PolarHBondContact O-N 2.83Å; A116-S118 PolarHBondContact O-N 2.89Å
117C95.4Very high94.9Very high47 Ų4752.3 Ų52.332%0.31827%0.266SS..EExtended strand (participates in β ladder)trans-68.8111.1166.5179.80000108.5I109 W110 K119I109-C117 CarbonylContact O-C 3.58Å; W110-C117 HydrophobicContact CD2-CB 4.46Å; W110-C117 HydrophobicContact CE3-CB 3.76Å; W110-C117 HydrophobicContact CH2-CB 4.24Å; W110-C117 HydrophobicContact CZ3-CB 3.64Å; C117-K119 PolarHBondContact SG-O 3.24Å
118S92Very high94.9Very high70 Ų7052.6 Ų52.649%0.4927%0.267SS..EExtended strand (participates in β ladder)trans-78.2-32178.7-171.20000112.5I109 A116I109-S118 PolarHBondContact O-N 3.24Å; A116-S118 PolarHBondContact O-N 2.89Å
119K92.7Very high94.9Very high39 Ų3951.6 Ų51.617%0.1726%0.263CS..EExtended strand (participates in β ladder)trans-153.8144.2-176.3-162.8174.1-169.8179.50111.1K108 I109 C117 L121 Y154 C156 D157K108-K119 WeakPolarHBondContact CA-O 3.39Å; I109-K119 HydrophobicContact CB-CB 4.11Å; I109-K119 HydrophobicContact CD1-CB 4.12Å; I109-K119 HydrophobicContact CD1-CD 4.18Å; I109-K119 HydrophobicContact CG1-CB 4.25Å; I109-K119 PolarHBondContact N-O 3.47Å; I109-K119 PolarHBondContact O-N 3.35Å; C117-K119 PolarHBondContact SG-O 3.24Å; K119-L121 HydrophobicContact CD-CD2 3.98Å; K119-L121 HydrophobicContact CG-CD2 4.26Å; K119-Y154 PolarHBondContact NZ-O 2.89Å; K119-C156 VanDerWaalsContact NZ-C 3.3Å; K119-C156 PolarHBondContact NZ-O 3.41Å; K119-D157 WeakPolarHBondContact CE-OD1 3.31Å; K119-D157 IonicContact NZ-OD1 2.71Å; K119-D157 PolarHBondContact NZ-OD1 2.89Å
120T95.6Very high95.1Very high42 Ų4250.9 Ų50.926%0.25826%0.259SS..EExtended strand (participates in β ladder)trans-120.6126.3169.8-60.30000108.8T106 L107 K108 F122T106-T120 HydrophobicContact CG2-CG2 3.98Å; L107-T120 CarbonylContact O-C 3.54Å; L107-T120 WeakPolarHBondContact O-CA 3.2Å; K108-T120 HydrophobicContact CG-CG2 4.32Å; K108-T120 PolarHBondContact NZ-OG1 2.99Å; T120-F122 HydrophobicContact CG2-CE1 4.06Å; T120-F122 HydrophobicContact CG2-CE2 4.08Å; T120-F122 HydrophobicContact CG2-CZ 3.73Å
121L95.6Very high95Very high2 Ų251.4 Ų51.41%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-106.5148.5175-54.1172.2000109.4T106 L107 K119 P123 I140 W152T106-L121 WeakPolarHBondContact CA-O 3.48Å; L107-L121 HydrophobicContact CB-CB 4.15Å; L107-L121 HydrophobicContact CB-CD1 4.47Å; L107-L121 HydrophobicContact CD1-CD1 4.37Å; L107-L121 PolarHBondContact N-O 3.44Å; L107-L121 PolarHBondContact O-N 3.31Å; K119-L121 HydrophobicContact CD-CD2 3.98Å; K119-L121 HydrophobicContact CG-CD2 4.26Å; L121-P123 WeakPolarHBondContact O-CD 3.23Å; L121-I140 HydrophobicContact CD1-CD1 4.15Å; L121-W152 HydrophobicContact CB-CE3 4.11Å; L121-W152 HydrophobicContact CB-CZ3 4.05Å; L121-W152 HydrophobicContact CD1-CB 4.04Å; L121-W152 HydrophobicContact CD1-CD2 4Å; L121-W152 HydrophobicContact CD1-CE3 3.92Å; L121-W152 HydrophobicContact CD1-CG 4.08Å; L121-W152 HydrophobicContact CD2-CE3 4.35Å; L121-W152 HydrophobicContact CG-CE3 4.35Å
122F95.6Very high94.9Very high147 Ų14751.5 Ų51.565%0.64526%0.263SS*.  trans-117.583.1-172.4-62.7-85.9000111.2T106 T120 A124T106-F122 HydrophobicContact CG2-CD1 4.12Å; T106-F122 HydrophobicContact CG2-CE1 4.07Å; T120-F122 HydrophobicContact CG2-CE1 4.06Å; T120-F122 HydrophobicContact CG2-CE2 4.08Å; T120-F122 HydrophobicContact CG2-CZ 3.73Å; F122-A124 PolarHBondContact O-N 3.02Å; F122-A124 VanDerWaalsContact O-N 3.16Å
123P93.9Very high94.6Very high3 Ų352.8 Ų52.82%0.01927%0.27CS..  trans-64.9-8.2174.525.4-36000115R105 L107 L121 S125 H144 W152R105-P123 VanDerWaalsContact O-CD 3.23Å; R105-P123 WeakPolarHBondContact O-CD 3.11Å; R105-P123 WeakPolarHBondContact O-CG 3.36Å; L107-P123 HydrophobicContact CG-CG 4.23Å; L121-P123 WeakPolarHBondContact O-CD 3.23Å; P123-S125 PolarHBondContact O-N 2.96Å; P123-H144 WeakPolarHBondContact CB-CE1 3.41Å; P123-W152 HydrophobicContact CB-CH2 4.13Å; P123-W152 HydrophobicContact CB-CZ2 3.71Å
124A94.2Very high93.6Very high81 Ų8146.7 Ų46.767%0.66925%0.248SC*.SBendtrans59.27.1-174.600000115.4F122F122-A124 PolarHBondContact O-N 3.02Å; F122-A124 VanDerWaalsContact O-N 3.16Å
125S97.7Very high91.9Very high9 Ų940 Ų406%0.06324%0.239CC..SBendtrans-143.1156-178.2-176.50000110.5R105 P123 C127 D146R105-S125 VanDerWaalsContact CA-O 3.27Å; R105-S125 WeakPolarHBondContact CA-O 3.4Å; R105-S125 WeakPolarHBondContact CB-O 3.4Å; P123-S125 PolarHBondContact O-N 2.96Å; S125-C127 PolarHBondContact O-N 3.34Å; S125-D146 WeakPolarHBondContact CB-OD1 3.22Å; S125-D146 WeakPolarHBondContact CB-OD2 3.46Å; S125-D146 WeakPolarHBondContact OG-CB 3.46Å; S125-D146 PolarHBondContact OG-N 2.92Å; S125-D146 PolarHBondContact OG-OD1 3.31Å
126S98.1Very high89.7Confident9 Ų935.7 Ų35.76%0.06324%0.238CC..  trans-65.8125.1177.1178.40000109.6N103 H144 F145N103-S126 WeakPolarHBondContact CA-OG 3.48Å; N103-S126 WeakPolarHBondContact OD1-CB 3.47Å; N103-S126 PolarHBondContact OD1-OG 3.4Å; S126-H144 VanDerWaalsContact O-CA 3.29Å; S126-H144 WeakPolarHBondContact O-CA 3.21Å; S126-F145 PolarHBondContact O-N 3.48Å
127C98.3Very high87.6Confident0 Ų035.2 Ų35.20%023%0.234CC..EExtended strand (participates in β ladder)trans-88.9113.5178.8-178.50000109.4L87 S102 L107 S125 D129L87-C127 WeakPolarHBondContact CB-O 3.27Å; L87-C127 WeakPolarHBondContact CD1-O 3.44Å; S102-C127 PolarHBondContact O-N 3.38Å; L107-C127 HydrophobicContact CD2-CB 3.62Å; L107-C127 WeakPolarHBondContact CD2-SG 3.49Å; S125-C127 PolarHBondContact O-N 3.34Å; C127-D129 PolarHBondContact SG-O 3.09Å; C127-D129 VanDerWaalsContact SG-O 3.36Å
128N98.1Very high86.7Confident6 Ų633.7 Ų33.73%0.03222%0.223CC..EExtended strand (participates in β ladder)trans-86.4-36.6-178.2-70.6-20.8000111.7G143 L169N128-G143 PolarHBondContact N-O 2.83Å; N128-L169 WeakPolarHBondContact CB-O 3.3Å; N128-L169 PolarHBondContact ND2-O 2.79Å
129D98Very high86.7Confident1 Ų132.3 Ų32.31%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-151.7161.2175.1-152.69.4000112.8C88 C127 G143 S171 L172 R217C88-D129 WeakPolarHBondContact CB-OD1 3.28Å; C88-D129 VanDerWaalsContact SG-C 3.56Å; C88-D129 VanDerWaalsContact SG-CA 3.54Å; C127-D129 PolarHBondContact SG-O 3.09Å; C127-D129 VanDerWaalsContact SG-O 3.36Å; D129-G143 PolarHBondContact N-O 3.36Å; D129-G143 PolarHBondContact O-N 3.35Å; D129-S171 VanDerWaalsContact OD2-CA 3.26Å; D129-S171 WeakPolarHBondContact OD2-CA 3.4Å; D129-S171 WeakPolarHBondContact OD2-CB 3.5Å; D129-L172 HydrophobicContact CB-CG 4.47Å; D129-L172 PolarHBondContact OD2-N 2.88Å; D129-R217 IonicContact OD1-CZ 3.51Å; D129-R217 IonicContact OD1-NH1 2.71Å; D129-R217 PolarHBondContact OD1-NH1 2.99Å; D129-R217 IonicContact OD1-NH2 3.14Å; D129-R217 IonicContact OD2-CZ 2.88Å; D129-R217 IonicContact OD2-NE 3.33Å; D129-R217 IonicContact OD2-NH1 2.86Å; D129-R217 PolarHBondContact OD2-NH1 2.7Å
130L97.2Very high86.7Confident0 Ų030.5 Ų30.50%020%0.204CC..EExtended strand (participates in β ladder)trans-145155.5174.169.685.6000111.8C88 K90 V99 S100 L107 L132 V141C88-L130 HydrophobicContact CB-CG 4.16Å; K90-L130 HydrophobicContact CB-CD1 3.84Å; K90-L130 HydrophobicContact CG-CD1 3.59Å; V99-L130 HydrophobicContact CB-CD1 4.37Å; V99-L130 HydrophobicContact CG1-CD1 4.2Å; V99-L130 HydrophobicContact CG1-CD2 3.89Å; S100-L130 VanDerWaalsContact C-CD2 3.48Å; L107-L130 HydrophobicContact CD2-CD2 4.49Å; L130-L132 HydrophobicContact CD1-CD2 4.21Å; L130-V141 CarbonylContact C-O 3.47Å; L130-V141 WeakPolarHBondContact CA-O 3.43Å; L130-V141 VanDerWaalsContact CB-O 3.29Å; L130-V141 WeakPolarHBondContact CB-O 3.4Å
131T95.1Very high86.8Confident16 Ų1628.5 Ų28.510%0.09819%0.191CC..EExtended strand (participates in β ladder)trans-140.4169.4170.5-168.30000109.7V141 L172 L174 L181T131-V141 HydrophobicContact CG2-CB 3.96Å; T131-V141 PolarHBondContact N-O 2.86Å; T131-V141 PolarHBondContact O-N 2.99Å; T131-V141 VanDerWaalsContact O-O 3.13Å; T131-L172 HydrophobicContact CG2-CB 4.11Å; T131-L174 HydrophobicContact CG2-CD1 3.9Å; T131-L174 HydrophobicContact CG2-CD2 4.4Å; T131-L174 HydrophobicContact CG2-CG 3.76Å; T131-L174 VanDerWaalsContact OG1-CD1 3.32Å; T131-L174 WeakPolarHBondContact OG1-CD1 3.45Å; T131-L181 HydrophobicContact CG2-CD1 3.55Å
132L92.8Very high86.9Confident27 Ų2728.4 Ų28.414%0.14119%0.191CC..EExtended strand (participates in β ladder)trans-129124.5-170.6-57.3179.9000109.5K90 F91 T92 V99 L130 V138 T139 I140 L174K90-L132 HydrophobicContact CB-CD1 4.07Å; K90-L132 HydrophobicContact CB-CG 4.39Å; F91-L132 VanDerWaalsContact O-CD1 3.3Å; F91-L132 WeakPolarHBondContact O-CD1 3.44Å; T92-L132 HydrophobicContact CG2-CD1 3.79Å; V99-L132 HydrophobicContact CB-CD2 4.16Å; V99-L132 HydrophobicContact CG1-CD2 4.46Å; V99-L132 HydrophobicContact CG2-CD2 4.04Å; L130-L132 HydrophobicContact CD1-CD2 4.21Å; L132-V138 HydrophobicContact CB-CG1 3.97Å; L132-V138 HydrophobicContact CD1-CG1 4.13Å; L132-V138 HydrophobicContact CD2-CG1 3.67Å; L132-V138 HydrophobicContact CG-CG1 4.13Å; L132-T139 WeakPolarHBondContact CA-O 3.32Å; L132-I140 HydrophobicContact CD2-CB 4.22Å; L132-I140 HydrophobicContact CD2-CG1 3.78Å; L132-I140 HydrophobicContact CD2-CG2 4.23Å; L132-L174 WeakPolarHBondContact O-CD1 3.39Å
133I86.8Confident87Confident30 Ų3021.4 Ų21.415%0.15416%0.16CC..EExtended strand (participates in β ladder)trans-100.8134.5175.2-58.1165.8000108.6T139 V141 F151 L174 E178 L195I133-T139 PolarHBondContact N-O 3.5Å; I133-T139 PolarHBondContact O-N 3.04Å; I133-V141 HydrophobicContact CD1-CG2 3.47Å; I133-V141 VanDerWaalsContact CD1-CG2 3.47Å; I133-V141 HydrophobicContact CG1-CG2 3.94Å; I133-F151 HydrophobicContact CD1-CE1 4.14Å; I133-L174 HydrophobicContact CB-CD1 4.49Å; I133-L174 HydrophobicContact CD1-CD2 4.31Å; I133-L174 HydrophobicContact CG1-CD1 3.69Å; I133-L174 HydrophobicContact CG1-CD2 3.8Å; I133-L174 HydrophobicContact CG1-CG 4.4Å; I133-E178 WeakPolarHBondContact CG2-OE2 3.5Å; I133-L195 HydrophobicContact CD1-CD1 3.7Å; I133-L195 HydrophobicContact CD1-CD2 4.04Å; I133-L195 HydrophobicContact CD1-CG 4.45Å; I133-L195 HydrophobicContact CG1-CD1 4.31Å
134G71.6Confident87.2Confident25 Ų2521.3 Ų21.326%0.25816%0.159SC..  trans83.8130.5170.500000114.7E178G134-E178 WeakPolarHBondContact CA-OE2 3.26Å; G134-E178 PolarHBondContact N-OE2 3.03Å
135G56.1Low87.4Confident50 Ų5022.2 Ų22.252%0.51515%0.148SC..SBendtrans-65.2-47.9-179.100000114.6
136S44.6Very low87.4Confident99 Ų9924.2 Ų24.269%0.69216%0.159SC*.SBendtrans-95-40.1-170.9660000114.7Q94Q94-S136 PolarHBondContact NE2-O 2.91Å
137A51.1Low87.4Confident37 Ų3728.1 Ų28.131%0.30617%0.174SC..SBendtrans-112.489.2173.800000108.5T139 Y154A137-T139 PolarHBondContact O-N 2.79Å; A137-Y154 HydrophobicContact CB-CE1 4.24Å
138V76Confident87.4Confident15 Ų1530.8 Ų30.89%0.09119%0.186CC..  trans-67.3105.9-174.91780000109.1T92 L132 I140T92-V138 HydrophobicContact CG2-CG1 4.48Å; L132-V138 HydrophobicContact CB-CG1 3.97Å; L132-V138 HydrophobicContact CD1-CG1 4.13Å; L132-V138 HydrophobicContact CD2-CG1 3.67Å; L132-V138 HydrophobicContact CG-CG1 4.13Å; V138-I140 HydrophobicContact CG1-CG1 4.28Å
139T90.8Very high87.4Confident41 Ų4130.5 Ų30.525%0.25218%0.184SC..EExtended strand (participates in β ladder)trans-82.7117165-62.40000107.6L132 I133 A137 V141 F151 W152L132-T139 WeakPolarHBondContact CA-O 3.32Å; I133-T139 PolarHBondContact N-O 3.5Å; I133-T139 PolarHBondContact O-N 3.04Å; A137-T139 PolarHBondContact O-N 2.79Å; T139-V141 HydrophobicContact CG2-CG2 4.46Å; T139-F151 HydrophobicContact CG2-CB 4.38Å; T139-F151 HydrophobicContact CG2-CD1 4.21Å; T139-W152 CarbonylContact C-O 3.6Å; T139-W152 WeakPolarHBondContact CA-O 3.22Å
140I94.1Very high87.3Confident1 Ų131.1 Ų31.11%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-81.8128175.4-56.5162.7000107.3V99 L107 I109 L121 L132 V138 F151 W152V99-I140 HydrophobicContact CG1-CD1 3.75Å; V99-I140 HydrophobicContact CG1-CG1 4.08Å; V99-I140 HydrophobicContact CG1-CG2 3.97Å; V99-I140 HydrophobicContact CG2-CD1 3.98Å; V99-I140 HydrophobicContact CG2-CG1 4.19Å; L107-I140 HydrophobicContact CD1-CG2 4.25Å; I109-I140 HydrophobicContact CD1-CD1 3.7Å; I109-I140 HydrophobicContact CG1-CD1 4.04Å; L121-I140 HydrophobicContact CD1-CD1 4.15Å; L132-I140 HydrophobicContact CD2-CB 4.22Å; L132-I140 HydrophobicContact CD2-CG1 3.78Å; L132-I140 HydrophobicContact CD2-CG2 4.23Å; V138-I140 HydrophobicContact CG1-CG1 4.28Å; I140-F151 CarbonylContact O-C 3.57Å; I140-F151 WeakPolarHBondContact O-CA 3.33Å; I140-W152 HydrophobicContact CB-CB 4.18Å; I140-W152 PolarHBondContact N-O 2.95Å; I140-W152 VanDerWaalsContact O-CD1 3.32Å; I140-W152 PolarHBondContact O-N 2.73Å
141V96.4Very high87.2Confident0 Ų031.9 Ų31.90%019%0.19CC..EExtended strand (participates in β ladder)trans-112.9129170.8-169.70000108.1L130 T131 I133 T139 L149 R150 F151 L172 L181L130-V141 CarbonylContact C-O 3.47Å; L130-V141 WeakPolarHBondContact CA-O 3.43Å; L130-V141 VanDerWaalsContact CB-O 3.29Å; L130-V141 WeakPolarHBondContact CB-O 3.4Å; T131-V141 HydrophobicContact CG2-CB 3.96Å; T131-V141 PolarHBondContact N-O 2.86Å; T131-V141 PolarHBondContact O-N 2.99Å; T131-V141 VanDerWaalsContact O-O 3.13Å; I133-V141 HydrophobicContact CD1-CG2 3.47Å; I133-V141 VanDerWaalsContact CD1-CG2 3.47Å; I133-V141 HydrophobicContact CG1-CG2 3.94Å; T139-V141 HydrophobicContact CG2-CG2 4.46Å; V141-L149 HydrophobicContact CG1-CD1 3.58Å; V141-L149 HydrophobicContact CG1-CD2 4.19Å; V141-L149 HydrophobicContact CG1-CG 3.85Å; V141-R150 CarbonylContact C-O 3.42Å; V141-R150 WeakPolarHBondContact CA-O 3.15Å; V141-F151 HydrophobicContact CB-CD1 4.45Å; V141-F151 HydrophobicContact CB-CE1 4.4Å; V141-F151 HydrophobicContact CG1-CD1 4.21Å; V141-F151 HydrophobicContact CG1-CE1 3.9Å; V141-F151 HydrophobicContact CG1-CE2 4.43Å; V141-F151 HydrophobicContact CG1-CZ 4.02Å; V141-F151 HydrophobicContact CG2-CD1 3.55Å; V141-F151 HydrophobicContact CG2-CE1 3.58Å; V141-F151 HydrophobicContact CG2-CG 4.44Å; V141-F151 HydrophobicContact CG2-CZ 4.49Å; V141-L172 HydrophobicContact CG1-CD1 4.18Å; V141-L181 HydrophobicContact CG1-CD2 3.95Å
142S97.8Very high87.2Confident0 Ų031.3 Ų31.30%019%0.186CC..EExtended strand (participates in β ladder)trans-132.3134.5-173.552.10000111.1H144 L149 R150 W152S142-H144 VanDerWaalsContact CB-NE2 3.27Å; S142-H144 WeakPolarHBondContact CB-NE2 3.36Å; S142-H144 PolarHBondContact O-CD2 3.34Å; S142-H144 PolarHBondContact O-NE2 3.37Å; S142-H144 PolarHBondContact OG-NE2 3.34Å; S142-L149 CarbonylContact O-C 3.6Å; S142-L149 WeakPolarHBondContact O-CA 3.32Å; S142-R150 PolarHBondContact N-O 3.47Å; S142-R150 PolarHBondContact O-N 2.89Å; S142-R150 PolarHBondContact OG-O 3.26Å; S142-W152 PolarHBondContact OG-NE1 2.68Å
143G98.3Very high86.9Confident0 Ų031.6 Ų31.60%019%0.188CC..EExtended strand (participates in β ladder)trans-108.6130.6-178.800000110.2N128 D129 L172N128-G143 PolarHBondContact N-O 2.83Å; D129-G143 PolarHBondContact N-O 3.36Å; D129-G143 PolarHBondContact O-N 3.35Å; G143-L172 VanDerWaalsContact N-CD1 3.33Å
144H98.6Very high86.5Confident0 Ų034.9 Ų34.90%020%0.199CC..EExtended strand (participates in β ladder)trans-123.5163.1-164.2-62-85.4000114.1P123 S126 S142 D146 K147 K148 R150 L169P123-H144 WeakPolarHBondContact CB-CE1 3.41Å; S126-H144 VanDerWaalsContact O-CA 3.29Å; S126-H144 WeakPolarHBondContact O-CA 3.21Å; S142-H144 VanDerWaalsContact CB-NE2 3.27Å; S142-H144 WeakPolarHBondContact CB-NE2 3.36Å; S142-H144 PolarHBondContact O-CD2 3.34Å; S142-H144 PolarHBondContact O-NE2 3.37Å; S142-H144 PolarHBondContact OG-NE2 3.34Å; H144-D146 WeakPolarHBondContact CB-OD1 3.42Å; H144-D146 IonicContact CG-OD1 2.71Å; H144-D146 PolarHBondContact O-N 2.74Å; H144-K147 PolarHBondContact O-N 2.86Å; H144-K148 WeakPolarHBondContact CB-O 3.34Å; H144-K148 PolarHBondContact CD2-O 3.41Å; H144-K148 VanDerWaalsContact CD2-O 3.23Å; H144-K148 PolarHBondContact N-O 2.93Å; H144-K148 VanDerWaalsContact N-O 3.11Å; H144-R150 PolarHBondContact CD2-NH1 2.97Å; H144-R150 VanDerWaalsContact CD2-NH1 3.32Å; H144-R150 VanDerWaalsContact CG-NH1 3.3Å; H144-L169 PolarHBondContact O-N 2.99Å; H144-L169 VanDerWaalsContact O-N 3.15Å
145F98.2Very high86.9Confident100 Ų10041.6 Ų41.644%0.43922%0.216SC..THydrogen-bonded Turntrans-64.3-26.1176.3-169.1-84.5000113.4S126 K147 R168S126-F145 PolarHBondContact O-N 3.48Å; F145-K147 PolarHBondContact O-N 2.85Å; F145-R168 WeakPolarHBondContact O-CB 3.34Å
146D98.1Very high88.2Confident52 Ų5241.3 Ų41.328%0.27821%0.206SC..THydrogen-bonded Turntrans-88.426.1179.766.4-28.5000112.8S125 H144 K148 R150S125-D146 WeakPolarHBondContact CB-OD1 3.22Å; S125-D146 WeakPolarHBondContact CB-OD2 3.46Å; S125-D146 WeakPolarHBondContact OG-CB 3.46Å; S125-D146 PolarHBondContact OG-N 2.92Å; S125-D146 PolarHBondContact OG-OD1 3.31Å; H144-D146 WeakPolarHBondContact CB-OD1 3.42Å; H144-D146 IonicContact CG-OD1 2.71Å; H144-D146 PolarHBondContact O-N 2.74Å; D146-K148 PolarHBondContact O-N 2.63Å; D146-K148 VanDerWaalsContact O-N 3.15Å; D146-K148 WeakPolarHBondContact OD2-CD 3.13Å; D146-R150 IonicContact OD1-CZ 2.69Å; D146-R150 IonicContact OD1-NH1 3.87Å; D146-R150 PolarHBondContact OD1-NH1 3.01Å; D146-R150 IonicContact OD1-NH2 3.31Å; D146-R150 IonicContact OD2-CZ 3.41Å; D146-R150 IonicContact OD2-NH1 3.19Å; D146-R150 PolarHBondContact OD2-NH1 3.11Å; D146-R150 IonicContact OD2-NH2 2.89Å; D146-R150 PolarHBondContact OD2-NH2 3.47Å
147K98.1Very high90Very high90 Ų9042.4 Ų42.439%0.39120%0.204SC..SBendtrans67.27.7175.5-39-177.1174.5-166.60115.7H144 F145 L165 P166 A167H144-K147 PolarHBondContact O-N 2.86Å; F145-K147 PolarHBondContact O-N 2.85Å; K147-L165 WeakPolarHBondContact CB-O 3.32Å; K147-L165 PolarHBondContact O-N 3.37Å; K147-P166 PolarHBondContact NZ-O 3.32Å; K147-A167 WeakPolarHBondContact CA-O 3.3Å; K147-A167 WeakPolarHBondContact CB-O 3.32Å
148K98.1Very high91.8Very high56 Ų5645.2 Ų45.224%0.24322%0.218CC..EExtended strand (participates in β ladder)trans-102.9136-173.3-73.1163.2171.7-139.50111.1H144 D146 E162 I163 L169H144-K148 WeakPolarHBondContact CB-O 3.34Å; H144-K148 PolarHBondContact CD2-O 3.41Å; H144-K148 VanDerWaalsContact CD2-O 3.23Å; H144-K148 PolarHBondContact N-O 2.93Å; H144-K148 VanDerWaalsContact N-O 3.11Å; D146-K148 PolarHBondContact O-N 2.63Å; D146-K148 VanDerWaalsContact O-N 3.15Å; D146-K148 WeakPolarHBondContact OD2-CD 3.13Å; K148-E162 HydrophobicContact CB-CG 3.98Å; K148-E162 VanDerWaalsContact CD-CD 3.44Å; K148-E162 HydrophobicContact CD-CG 4.31Å; K148-E162 VanDerWaalsContact CD-OE1 3.23Å; K148-E162 WeakPolarHBondContact CD-OE1 3.43Å; K148-E162 WeakPolarHBondContact CE-OE1 3.45Å; K148-E162 HydrophobicContact CG-CG 4.02Å; K148-E162 IonicContact NZ-OE1 3.14Å; K148-E162 PolarHBondContact NZ-OE1 3.43Å; K148-E162 IonicContact NZ-OE2 3.74Å; K148-I163 WeakPolarHBondContact CA-O 3.48Å; K148-L169 WeakPolarHBondContact O-CD1 3.32Å
149L97.6Very high92.6Very high0 Ų047 Ų470%023%0.229CC..EExtended strand (participates in β ladder)trans-97.1124.9165.4-174.975.2000108V141 S142 F151 E162 I163 L169 L172 L181V141-L149 HydrophobicContact CG1-CD1 3.58Å; V141-L149 HydrophobicContact CG1-CD2 4.19Å; V141-L149 HydrophobicContact CG1-CG 3.85Å; S142-L149 CarbonylContact O-C 3.6Å; S142-L149 WeakPolarHBondContact O-CA 3.32Å; L149-F151 HydrophobicContact CD2-CE2 3.62Å; L149-F151 HydrophobicContact CD2-CZ 3.69Å; L149-F151 HydrophobicContact CG-CE2 3.97Å; L149-F151 HydrophobicContact CG-CZ 4.35Å; L149-E162 CarbonylContact O-C 3.55Å; L149-E162 VanDerWaalsContact O-CA 3.24Å; L149-E162 WeakPolarHBondContact O-CA 3.22Å; L149-I163 HydrophobicContact CB-CB 4.22Å; L149-I163 HydrophobicContact CD2-CB 4.46Å; L149-I163 HydrophobicContact CD2-CD1 4.06Å; L149-I163 PolarHBondContact N-O 3.09Å; L149-I163 PolarHBondContact O-N 3.28Å; L149-L169 HydrophobicContact CB-CD2 4.49Å; L149-L169 HydrophobicContact CD1-CD2 3.95Å; L149-L172 HydrophobicContact CD1-CD1 3.67Å; L149-L172 HydrophobicContact CD1-CD2 3.52Å; L149-L172 HydrophobicContact CD1-CG 4.26Å; L149-L181 HydrophobicContact CD1-CD2 3.92Å; L149-L181 HydrophobicContact CD2-CD2 3.41Å; L149-L181 VanDerWaalsContact CD2-CD2 3.41Å; L149-L181 HydrophobicContact CG-CD2 4.26Å
150R97.1Very high92.7Very high15 Ų1549.5 Ų49.56%0.05724%0.239CC..EExtended strand (participates in β ladder)trans-122.1134.4-176.8-66.5178.9176.8100.1-4.3111.9V141 S142 H144 D146 W152 V159 K161 E162V141-R150 CarbonylContact C-O 3.42Å; V141-R150 WeakPolarHBondContact CA-O 3.15Å; S142-R150 PolarHBondContact N-O 3.47Å; S142-R150 PolarHBondContact O-N 2.89Å; S142-R150 PolarHBondContact OG-O 3.26Å; H144-R150 PolarHBondContact CD2-NH1 2.97Å; H144-R150 VanDerWaalsContact CD2-NH1 3.32Å; H144-R150 VanDerWaalsContact CG-NH1 3.3Å; D146-R150 IonicContact OD1-CZ 2.69Å; D146-R150 IonicContact OD1-NH1 3.87Å; D146-R150 PolarHBondContact OD1-NH1 3.01Å; D146-R150 IonicContact OD1-NH2 3.31Å; D146-R150 IonicContact OD2-CZ 3.41Å; D146-R150 IonicContact OD2-NH1 3.19Å; D146-R150 PolarHBondContact OD2-NH1 3.11Å; D146-R150 IonicContact OD2-NH2 2.89Å; D146-R150 PolarHBondContact OD2-NH2 3.47Å; R150-W152 HydrophobicContact CB-CZ2 4.01Å; R150-W152 PolarHBondContact O-NE1 2.98Å; R150-V159 HydrophobicContact CB-CG1 4.1Å; R150-V159 HydrophobicContact CB-CG2 4.45Å; R150-V159 HydrophobicContact CG-CG1 4.13Å; R150-V159 HydrophobicContact CG-CG2 4.34Å; R150-K161 WeakPolarHBondContact CA-O 3.29Å; R150-E162 HydrophobicContact CG-CG 4.16Å; R150-E162 IonicContact CZ-OE2 3.31Å; R150-E162 VanDerWaalsContact CZ-OE2 3.31Å; R150-E162 IonicContact NE-OE2 2.83Å; R150-E162 PolarHBondContact NE-OE2 3.17Å; R150-E162 IonicContact NH2-OE2 3.91Å; R150-E162 PolarHBondContact NH2-OE2 3.4Å; R150-E162 VanDerWaalsContact NH2-OE2 3.14Å
151F95.2Very high92.6Very high16 Ų1651.6 Ų51.67%0.0725%0.248CC..EExtended strand (participates in β ladder)trans-105.3133.6177.2-62.4-102.2000109.7I133 T139 I140 V141 L149 I160 K161 I163 L195I133-F151 HydrophobicContact CD1-CE1 4.14Å; T139-F151 HydrophobicContact CG2-CB 4.38Å; T139-F151 HydrophobicContact CG2-CD1 4.21Å; I140-F151 CarbonylContact O-C 3.57Å; I140-F151 WeakPolarHBondContact O-CA 3.33Å; V141-F151 HydrophobicContact CB-CD1 4.45Å; V141-F151 HydrophobicContact CB-CE1 4.4Å; V141-F151 HydrophobicContact CG1-CD1 4.21Å; V141-F151 HydrophobicContact CG1-CE1 3.9Å; V141-F151 HydrophobicContact CG1-CE2 4.43Å; V141-F151 HydrophobicContact CG1-CZ 4.02Å; V141-F151 HydrophobicContact CG2-CD1 3.55Å; V141-F151 HydrophobicContact CG2-CE1 3.58Å; V141-F151 HydrophobicContact CG2-CG 4.44Å; V141-F151 HydrophobicContact CG2-CZ 4.49Å; L149-F151 HydrophobicContact CD2-CE2 3.62Å; L149-F151 HydrophobicContact CD2-CZ 3.69Å; L149-F151 HydrophobicContact CG-CE2 3.97Å; L149-F151 HydrophobicContact CG-CZ 4.35Å; F151-I160 PolarHBondContact O-N 2.99Å; F151-K161 HydrophobicContact CB-CB 4.08Å; F151-K161 HydrophobicContact CD2-CB 4.06Å; F151-K161 HydrophobicContact CD2-CD 4.26Å; F151-K161 HydrophobicContact CD2-CG 4Å; F151-K161 HydrophobicContact CG-CB 4.31Å; F151-K161 PolarHBondContact N-O 2.91Å; F151-I163 HydrophobicContact CE2-CD1 3.96Å; F151-I163 HydrophobicContact CE2-CG1 4.13Å; F151-I163 HydrophobicContact CZ-CD1 4.33Å; F151-L195 HydrophobicContact CE1-CD2 3.7Å; F151-L195 HydrophobicContact CZ-CD2 3.83Å
152W93.9Very high92.6Very high3 Ų355.2 Ų55.21%0.01127%0.265CS..EExtended strand (participates in β ladder)trans-131.9128.2-177-45.179.1000109.1L107 L121 P123 T139 I140 S142 R150 V159L107-W152 HydrophobicContact CD1-CD2 4.37Å; L107-W152 HydrophobicContact CD1-CG 4.43Å; L107-W152 HydrophobicContact CD1-CZ2 4.32Å; L121-W152 HydrophobicContact CB-CE3 4.11Å; L121-W152 HydrophobicContact CB-CZ3 4.05Å; L121-W152 HydrophobicContact CD1-CB 4.04Å; L121-W152 HydrophobicContact CD1-CD2 4Å; L121-W152 HydrophobicContact CD1-CE3 3.92Å; L121-W152 HydrophobicContact CD1-CG 4.08Å; L121-W152 HydrophobicContact CD2-CE3 4.35Å; L121-W152 HydrophobicContact CG-CE3 4.35Å; P123-W152 HydrophobicContact CB-CH2 4.13Å; P123-W152 HydrophobicContact CB-CZ2 3.71Å; T139-W152 CarbonylContact C-O 3.6Å; T139-W152 WeakPolarHBondContact CA-O 3.22Å; I140-W152 HydrophobicContact CB-CB 4.18Å; I140-W152 PolarHBondContact N-O 2.95Å; I140-W152 VanDerWaalsContact O-CD1 3.32Å; I140-W152 PolarHBondContact O-N 2.73Å; S142-W152 PolarHBondContact OG-NE1 2.68Å; R150-W152 HydrophobicContact CB-CZ2 4.01Å; R150-W152 PolarHBondContact O-NE1 2.98Å; W152-V159 HydrophobicContact CD2-CG2 4.41Å; W152-V159 HydrophobicContact CE3-CG2 4.15Å; W152-V159 HydrophobicContact CH2-CG2 3.27Å; W152-V159 HydrophobicContact CZ2-CG2 3.55Å; W152-V159 HydrophobicContact CZ3-CG2 3.6Å
153D86.7Confident92.5Very high33 Ų3356.2 Ų56.218%0.17627%0.27CS..EExtended strand (participates in β ladder)trans-85.4136.5162.2-175.1-38.2000107R155 C156 I160D153-R155 PolarHBondContact O-N 3.21Å; D153-R155 VanDerWaalsContact OD1-CB 3.31Å; D153-R155 WeakPolarHBondContact OD1-CB 3.33Å; D153-R155 VanDerWaalsContact OD1-CG 3.31Å; D153-R155 WeakPolarHBondContact OD1-CG 3.04Å; D153-R155 PolarHBondContact OD1-N 2.85Å; D153-C156 HydrophobicContact CB-CB 4.46Å; D153-C156 PolarHBondContact O-N 3.31Å; D153-I160 HydrophobicContact CB-CD1 3.14Å; D153-I160 HydrophobicContact CB-CG1 4.41Å
154Y77.4Confident92.4Very high99 Ų9962.4 Ų62.439%0.38830%0.299SS..THydrogen-bonded Turntrans-52-28.5175.780.9-84.8000113.5K119 A137K119-Y154 PolarHBondContact NZ-O 2.89Å; A137-Y154 HydrophobicContact CB-CE1 4.24Å
155R81.3Confident92.4Very high166 Ų16662.6 Ų62.663%0.62630%0.301SS*.THydrogen-bonded Turntrans-76.3-22.9179.1-62.2169.5-178.5161.56.4113.4D153D153-R155 PolarHBondContact O-N 3.21Å; D153-R155 VanDerWaalsContact OD1-CB 3.31Å; D153-R155 WeakPolarHBondContact OD1-CB 3.33Å; D153-R155 VanDerWaalsContact OD1-CG 3.31Å; D153-R155 WeakPolarHBondContact OD1-CG 3.04Å; D153-R155 PolarHBondContact OD1-N 2.85Å
156C82.2Confident92.3Very high45 Ų4561.1 Ų61.130%0.30430%0.301SS..  trans-103.7146.4-173.4-61.60000111K119 D153K119-C156 VanDerWaalsContact NZ-C 3.3Å; K119-C156 PolarHBondContact NZ-O 3.41Å; D153-C156 HydrophobicContact CB-CB 4.46Å; D153-C156 PolarHBondContact O-N 3.31Å
157D83Confident92.3Very high121 Ų12159.3 Ų59.365%0.64729%0.293SS*.SBendtrans-93.7-5.6173.9-64.8-18.1000112.1K119K119-D157 WeakPolarHBondContact CE-OD1 3.31Å; K119-D157 IonicContact NZ-OD1 2.71Å; K119-D157 PolarHBondContact NZ-OD1 2.89Å
158T89Confident92.3Very high97 Ų9758.3 Ų58.360%0.59529%0.287SS*.SBendtrans-109.3155-178.453.20000111.4I160T158-I160 PolarHBondContact O-N 3.38Å
159V93Very high92.3Very high52 Ų5255.7 Ų55.732%0.31528%0.276SS..  trans-62.5125.6167.8179.60000108.1R150 W152 K161 E162R150-V159 HydrophobicContact CB-CG1 4.1Å; R150-V159 HydrophobicContact CB-CG2 4.45Å; R150-V159 HydrophobicContact CG-CG1 4.13Å; R150-V159 HydrophobicContact CG-CG2 4.34Å; W152-V159 HydrophobicContact CD2-CG2 4.41Å; W152-V159 HydrophobicContact CE3-CG2 4.15Å; W152-V159 HydrophobicContact CH2-CG2 3.27Å; W152-V159 HydrophobicContact CZ2-CG2 3.55Å; W152-V159 HydrophobicContact CZ3-CG2 3.6Å; V159-K161 WeakPolarHBondContact CG1-O 3.37Å; V159-E162 HydrophobicContact CG1-CB 4.4Å
160I92.3Very high92.3Very high94 Ų9455.7 Ų55.748%0.48228%0.276SS..SBendtrans-78.6-37.7176.7-63.7-178.1000110F151 D153 T158F151-I160 PolarHBondContact O-N 2.99Å; D153-I160 HydrophobicContact CB-CD1 3.14Å; D153-I160 HydrophobicContact CB-CG1 4.41Å; T158-I160 PolarHBondContact O-N 3.38Å
161K92.8Very high92.4Very high44 Ų4455 Ų5519%0.19127%0.273CS..EExtended strand (participates in β ladder)trans-155.8145.8-173.8176.3175.9167.9-116.70110.9R150 F151 V159 N198R150-K161 WeakPolarHBondContact CA-O 3.29Å; F151-K161 HydrophobicContact CB-CB 4.08Å; F151-K161 HydrophobicContact CD2-CB 4.06Å; F151-K161 HydrophobicContact CD2-CD 4.26Å; F151-K161 HydrophobicContact CD2-CG 4Å; F151-K161 HydrophobicContact CG-CB 4.31Å; F151-K161 PolarHBondContact N-O 2.91Å; V159-K161 WeakPolarHBondContact CG1-O 3.37Å; K161-N198 HydrophobicContact CD-CB 4.45Å; K161-N198 WeakPolarHBondContact CE-ND2 3.42Å; K161-N198 VanDerWaalsContact CE-OD1 3.25Å; K161-N198 WeakPolarHBondContact CE-OD1 3.08Å; K161-N198 PolarHBondContact NZ-OD1 3.19Å
162E95.4Very high92.5Very high77 Ų7754.3 Ų54.336%0.3627%0.27SS..EExtended strand (participates in β ladder)trans-129.5143.1176.9-168.5169.993.200110K148 L149 R150 V159K148-E162 HydrophobicContact CB-CG 3.98Å; K148-E162 VanDerWaalsContact CD-CD 3.44Å; K148-E162 HydrophobicContact CD-CG 4.31Å; K148-E162 VanDerWaalsContact CD-OE1 3.23Å; K148-E162 WeakPolarHBondContact CD-OE1 3.43Å; K148-E162 WeakPolarHBondContact CE-OE1 3.45Å; K148-E162 HydrophobicContact CG-CG 4.02Å; K148-E162 IonicContact NZ-OE1 3.14Å; K148-E162 PolarHBondContact NZ-OE1 3.43Å; K148-E162 IonicContact NZ-OE2 3.74Å; L149-E162 CarbonylContact O-C 3.55Å; L149-E162 VanDerWaalsContact O-CA 3.24Å; L149-E162 WeakPolarHBondContact O-CA 3.22Å; R150-E162 HydrophobicContact CG-CG 4.16Å; R150-E162 IonicContact CZ-OE2 3.31Å; R150-E162 VanDerWaalsContact CZ-OE2 3.31Å; R150-E162 IonicContact NE-OE2 2.83Å; R150-E162 PolarHBondContact NE-OE2 3.17Å; R150-E162 IonicContact NH2-OE2 3.91Å; R150-E162 PolarHBondContact NH2-OE2 3.4Å; R150-E162 VanDerWaalsContact NH2-OE2 3.14Å; V159-E162 HydrophobicContact CG1-CB 4.4Å
163I96.7Very high92.6Very high20 Ų2055.6 Ų55.610%0.10328%0.277CS..EExtended strand (participates in β ladder)trans-127.6132168.1-53177.6000107K148 L149 F151 L165 V193K148-I163 WeakPolarHBondContact CA-O 3.48Å; L149-I163 HydrophobicContact CB-CB 4.22Å; L149-I163 HydrophobicContact CD2-CB 4.46Å; L149-I163 HydrophobicContact CD2-CD1 4.06Å; L149-I163 PolarHBondContact N-O 3.09Å; L149-I163 PolarHBondContact O-N 3.28Å; F151-I163 HydrophobicContact CE2-CD1 3.96Å; F151-I163 HydrophobicContact CE2-CG1 4.13Å; F151-I163 HydrophobicContact CZ-CD1 4.33Å; I163-L165 HydrophobicContact CG2-CD2 4.29Å; I163-V193 HydrophobicContact CD1-CG1 3.63Å
164E97Very high93Very high130 Ų13055.2 Ų55.261%0.60728%0.275SS*.EExtended strand (participates in β ladder)trans-94.2131.7174.2-171.9168.9178.900110.2
165L97.3Very high93.5Very high5 Ų550.8 Ų50.83%0.02626%0.258CS..  trans-105.3164.4173.3-62.7-165.4000110.5K147 I163 A167 L169 C183 V185 I200K147-L165 WeakPolarHBondContact CB-O 3.32Å; K147-L165 PolarHBondContact O-N 3.37Å; I163-L165 HydrophobicContact CG2-CD2 4.29Å; L165-A167 PolarHBondContact O-N 3.46Å; L165-L169 HydrophobicContact CD1-CD1 4.31Å; L165-L169 HydrophobicContact CD1-CD2 3.74Å; L165-L169 HydrophobicContact CD1-CG 3.95Å; L165-L169 HydrophobicContact CG-CD1 4.49Å; L165-C183 HydrophobicContact CD1-CB 3.57Å; L165-V185 HydrophobicContact CB-CG1 4.01Å; L165-V185 HydrophobicContact CD1-CG1 3.64Å; L165-V185 HydrophobicContact CG-CG1 4.49Å; L165-I200 HydrophobicContact CD2-CD1 3.5Å; L165-I200 VanDerWaalsContact CD2-CD1 3.5Å; L165-I200 HydrophobicContact CD2-CG1 3.81Å
166P96.5Very high93.5Very high68 Ų6851.2 Ų51.244%0.44227%0.265SS..SBendtrans-61.9-29.8-174.7-23.734.2000114.2K147 D187 H191K147-P166 PolarHBondContact NZ-O 3.32Å; P166-D187 WeakPolarHBondContact CB-OD2 3.22Å; P166-H191 WeakPolarHBondContact CD-NE2 3.23Å
167A97.9Very high93.4Very high14 Ų1453.1 Ų53.112%0.11627%0.272CS..SBendtrans-140.8174.8-179.900000112.5K147 L165 L169 V185 R186 D187K147-A167 WeakPolarHBondContact CA-O 3.3Å; K147-A167 WeakPolarHBondContact CB-O 3.32Å; L165-A167 PolarHBondContact O-N 3.46Å; A167-L169 PolarHBondContact O-N 2.95Å; A167-V185 HydrophobicContact CB-CB 4.35Å; A167-R186 HydrophobicContact CB-CB 4.43Å; A167-D187 HydrophobicContact CB-CB 3.78Å
168R98Very high93.6Very high70 Ų7051.1 Ų51.126%0.26426%0.259SS..  trans-61.6135.1179.160.4-175.4166.2161.39.1110.7F145 V185 R186 D214F145-R168 WeakPolarHBondContact O-CB 3.34Å; R168-V185 WeakPolarHBondContact O-CA 3.47Å; R168-R186 HydrophobicContact CG-CB 3.58Å; R168-R186 HydrophobicContact CG-CG 3.43Å; R168-R186 VanDerWaalsContact CG-CG 3.43Å; R168-R186 PolarHBondContact O-N 2.79Å; R168-D214 VanDerWaalsContact CZ-CG 3.46Å; R168-D214 IonicContact CZ-OD1 3.15Å; R168-D214 IonicContact CZ-OD2 3.87Å; R168-D214 IonicContact NE-OD1 2.7Å; R168-D214 PolarHBondContact NE-OD1 2.92Å; R168-D214 VanDerWaalsContact NE-OD1 3.08Å; R168-D214 VanDerWaalsContact NH1-CG 3.26Å; R168-D214 IonicContact NH1-OD1 3.9Å; R168-D214 PolarHBondContact NH1-OD1 3.2Å; R168-D214 VanDerWaalsContact NH1-OD1 3.1Å; R168-D214 IonicContact NH1-OD2 3.89Å; R168-D214 PolarHBondContact NH1-OD2 3.39Å; R168-D214 IonicContact NH2-OD1 3.78Å; R168-D214 PolarHBondContact NH2-OD1 2.97Å; R168-D214 VanDerWaalsContact NH2-OD1 3.16Å; R168-D214 IonicContact NH2-OD2 3.93Å
169L98.5Very high93.6Very high1 Ų150.9 Ų50.91%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-75.7144.1-179-70.296.5000110.7N128 H144 K148 L149 L165 A167 L172 C183 A184 V185N128-L169 WeakPolarHBondContact CB-O 3.3Å; N128-L169 PolarHBondContact ND2-O 2.79Å; H144-L169 PolarHBondContact O-N 2.99Å; H144-L169 VanDerWaalsContact O-N 3.15Å; K148-L169 WeakPolarHBondContact O-CD1 3.32Å; L149-L169 HydrophobicContact CB-CD2 4.49Å; L149-L169 HydrophobicContact CD1-CD2 3.95Å; L165-L169 HydrophobicContact CD1-CD1 4.31Å; L165-L169 HydrophobicContact CD1-CD2 3.74Å; L165-L169 HydrophobicContact CD1-CG 3.95Å; L165-L169 HydrophobicContact CG-CD1 4.49Å; A167-L169 PolarHBondContact O-N 2.95Å; L169-L172 HydrophobicContact CD2-CD2 3.64Å; L169-C183 HydrophobicContact CD2-CB 4.08Å; L169-A184 CarbonylContact C-O 3.41Å; L169-A184 WeakPolarHBondContact CA-O 3.44Å; L169-V185 HydrophobicContact CG-CG1 3.95Å
170T98Very high93.6Very high0 Ų049.9 Ų49.90%025%0.246CC..EExtended strand (participates in β ladder)trans-114.2-31.1176.369.90000112.9A184 R186 I211 Y213 D214 A216T170-A184 PolarHBondContact N-O 2.74Å; T170-A184 VanDerWaalsContact OG1-CB 3.26Å; T170-A184 WeakPolarHBondContact OG1-CB 3.35Å; T170-A184 PolarHBondContact OG1-O 3.02Å; T170-R186 VanDerWaalsContact CG2-CD 3.43Å; T170-R186 HydrophobicContact CG2-CG 3.52Å; T170-I211 HydrophobicContact CG2-CG2 4.01Å; T170-Y213 WeakPolarHBondContact CG2-O 3.39Å; T170-D214 WeakPolarHBondContact CA-O 3.21Å; T170-A216 CarbonylContact C-O 3.58Å; T170-A216 WeakPolarHBondContact CB-O 3.47Å; T170-A216 PolarHBondContact OG1-O 2.86Å
171S97.8Very high93.9Very high0 Ų045.4 Ų45.40%022%0.223CC..EExtended strand (participates in β ladder)trans-153.1158.6175.866.40000114D129 C183 A184 A216 A218D129-S171 VanDerWaalsContact OD2-CA 3.26Å; D129-S171 WeakPolarHBondContact OD2-CA 3.4Å; D129-S171 WeakPolarHBondContact OD2-CB 3.5Å; S171-C183 WeakPolarHBondContact O-CA 3.48Å; S171-A184 PolarHBondContact O-N 3Å; S171-A184 VanDerWaalsContact OG-CB 3.25Å; S171-A184 WeakPolarHBondContact OG-CB 3.38Å; S171-A216 VanDerWaalsContact CB-O 3.26Å; S171-A216 WeakPolarHBondContact CB-O 3.34Å; S171-A216 PolarHBondContact OG-O 3.11Å; S171-A218 PolarHBondContact OG-N 3.25Å
172L97.9Very high94.1Very high2 Ų243.3 Ų43.31%0.0121%0.214CC..EExtended strand (participates in β ladder)trans-127.8143.6172.8-63.2-178.4000110.4D129 T131 V141 G143 L149 L169 L181 L182 C183 R219D129-L172 HydrophobicContact CB-CG 4.47Å; D129-L172 PolarHBondContact OD2-N 2.88Å; T131-L172 HydrophobicContact CG2-CB 4.11Å; V141-L172 HydrophobicContact CG1-CD1 4.18Å; G143-L172 VanDerWaalsContact N-CD1 3.33Å; L149-L172 HydrophobicContact CD1-CD1 3.67Å; L149-L172 HydrophobicContact CD1-CD2 3.52Å; L149-L172 HydrophobicContact CD1-CG 4.26Å; L169-L172 HydrophobicContact CD2-CD2 3.64Å; L172-L181 HydrophobicContact CB-CD1 4.36Å; L172-L181 HydrophobicContact CD2-CD2 4.28Å; L172-L181 HydrophobicContact CD2-CG 4.49Å; L172-L182 CarbonylContact C-O 3.48Å; L172-L182 WeakPolarHBondContact CA-O 3.2Å; L172-C183 HydrophobicContact CD2-CB 4.26Å; L172-C183 VanDerWaalsContact CD2-SG 3.5Å; L172-R219 PolarHBondContact O-NH1 3.09Å
173D97Very high94.3Very high29 Ų2939.7 Ų39.716%0.15520%0.197CC..EExtended strand (participates in β ladder)trans-149.1140.5170.9-155.437.9000111.5L181 L182 R219 F220D173-L181 CarbonylContact O-C 3.48Å; D173-L181 WeakPolarHBondContact O-CA 3.45Å; D173-L181 WeakPolarHBondContact O-CD1 3.38Å; D173-L182 HydrophobicContact CB-CB 4.25Å; D173-L182 PolarHBondContact N-O 3.05Å; D173-L182 PolarHBondContact O-N 2.75Å; D173-R219 WeakPolarHBondContact OD1-CD 3.35Å; D173-R219 IonicContact OD1-CZ 2.88Å; D173-R219 IonicContact OD1-NE 2.74Å; D173-R219 IonicContact OD1-NH1 2.66Å; D173-R219 WeakPolarHBondContact OD2-CA 3.04Å; D173-R219 WeakPolarHBondContact OD2-CD 3.39Å; D173-F220 PolarHBondContact OD2-N 3.42Å
174L93.8Very high94.4Very high26 Ų2638.7 Ų38.714%0.13619%0.192CC..EExtended strand (participates in β ladder)trans-96.7143.9179-77.4166.7000110.5T131 L132 I133 L181 L195T131-L174 HydrophobicContact CG2-CD1 3.9Å; T131-L174 HydrophobicContact CG2-CD2 4.4Å; T131-L174 HydrophobicContact CG2-CG 3.76Å; T131-L174 VanDerWaalsContact OG1-CD1 3.32Å; T131-L174 WeakPolarHBondContact OG1-CD1 3.45Å; L132-L174 WeakPolarHBondContact O-CD1 3.39Å; I133-L174 HydrophobicContact CB-CD1 4.49Å; I133-L174 HydrophobicContact CD1-CD2 4.31Å; I133-L174 HydrophobicContact CG1-CD1 3.69Å; I133-L174 HydrophobicContact CG1-CD2 3.8Å; I133-L174 HydrophobicContact CG1-CG 4.4Å; L174-L181 HydrophobicContact CD2-CB 4.38Å; L174-L181 HydrophobicContact CD2-CD1 3.79Å; L174-L181 HydrophobicContact CG-CD1 4.12Å; L174-L195 HydrophobicContact CD2-CD1 3.53Å
175S87.7Confident94.4Very high6 Ų632.5 Ų32.54%0.04216%0.164CC..  trans-65.6158.5166.656.50000110.6D177 E178 Q179 S180 D224S175-D177 WeakPolarHBondContact CB-OD1 3.33Å; S175-D177 PolarHBondContact O-N 3.01Å; S175-D177 PolarHBondContact OG-OD1 2.9Å; S175-E178 PolarHBondContact O-N 2.98Å; S175-Q179 PolarHBondContact OG-N 2.83Å; S175-S180 PolarHBondContact N-O 2.77Å; S175-S180 WeakPolarHBondContact OG-CB 3.36Å; S175-S180 PolarHBondContact OG-N 2.81Å; S175-S180 PolarHBondContact OG-O 2.78Å; S175-D224 VanDerWaalsContact CA-OD1 3.28Å; S175-D224 WeakPolarHBondContact CA-OD1 3.43Å; S175-D224 WeakPolarHBondContact CB-OD1 3.28Å
176F82.8Confident94.4Very high174 Ų17435.5 Ų35.576%0.76317%0.174SC*.THydrogen-bonded Turntrans-58.6-35.6-179.3178.8-96.2000112.4E178 D224F176-E178 VanDerWaalsContact C-N 3.28Å; F176-E178 PolarHBondContact O-N 3.46Å; F176-D224 VanDerWaalsContact CB-OD2 3.3Å; F176-D224 WeakPolarHBondContact CB-OD2 3.15Å; F176-D224 PolarHBondContact N-OD1 3.48Å; F176-D224 PolarHBondContact N-OD2 3.1Å
177D79Confident94.4Very high86 Ų8635.1 Ų35.146%0.4617%0.169SC..THydrogen-bonded Turntrans-82.11177.471.1-4000114.9S175 Q179S175-D177 WeakPolarHBondContact CB-OD1 3.33Å; S175-D177 PolarHBondContact O-N 3.01Å; S175-D177 PolarHBondContact OG-OD1 2.9Å; D177-Q179 HydrophobicContact CB-CG 4.19Å; D177-Q179 VanDerWaalsContact CG-CG 3.49Å; D177-Q179 PolarHBondContact O-N 2.81Å; D177-Q179 VanDerWaalsContact O-N 3.1Å; D177-Q179 PolarHBondContact O-NE2 2.92Å; D177-Q179 VanDerWaalsContact O-NE2 3.09Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.29Å; D177-Q179 PolarHBondContact OD1-N 2.95Å; D177-Q179 WeakPolarHBondContact OD2-CG 3.09Å
178E87.5Confident94.4Very high78 Ų7836.2 Ų36.236%0.36417%0.172SC..SBendtrans53.522.9-174.6-56.6-174.6-178.800114.5I133 G134 S175 F176 L195I133-E178 WeakPolarHBondContact CG2-OE2 3.5Å; G134-E178 WeakPolarHBondContact CA-OE2 3.26Å; G134-E178 PolarHBondContact N-OE2 3.03Å; S175-E178 PolarHBondContact O-N 2.98Å; F176-E178 VanDerWaalsContact C-N 3.28Å; F176-E178 PolarHBondContact O-N 3.46Å; E178-L195 VanDerWaalsContact O-CD1 3.3Å; E178-L195 WeakPolarHBondContact O-CD1 3.36Å
179Q88.6Confident94.4Very high93 Ų9333.8 Ų33.844%0.43517%0.165SC..SBendtrans-92-24.6177.4-59.8-51.9-61.200113.1S175 D177 L195S175-Q179 PolarHBondContact OG-N 2.83Å; D177-Q179 HydrophobicContact CB-CG 4.19Å; D177-Q179 VanDerWaalsContact CG-CG 3.49Å; D177-Q179 PolarHBondContact O-N 2.81Å; D177-Q179 VanDerWaalsContact O-N 3.1Å; D177-Q179 PolarHBondContact O-NE2 2.92Å; D177-Q179 VanDerWaalsContact O-NE2 3.09Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.29Å; D177-Q179 PolarHBondContact OD1-N 2.95Å; D177-Q179 WeakPolarHBondContact OD2-CG 3.09Å; Q179-L195 WeakPolarHBondContact O-CB 3.24Å; Q179-L195 PolarHBondContact O-N 3.24Å
180S94.1Very high94.4Very high30 Ų3033.7 Ų33.721%0.2117%0.165CC..EExtended strand (participates in β ladder)trans-124.2144.6-174.4-63.20000111.4S175 V193S175-S180 PolarHBondContact N-O 2.77Å; S175-S180 WeakPolarHBondContact OG-CB 3.36Å; S175-S180 PolarHBondContact OG-N 2.81Å; S175-S180 PolarHBondContact OG-O 2.78Å; S180-V193 WeakPolarHBondContact CA-O 3.23Å
181L97.4Very high94.4Very high0 Ų034 Ų340%017%0.167CC..EExtended strand (participates in β ladder)trans-123.2120176.6179.177.7000109.7T131 V141 L149 L172 D173 L174 C192 V193 L195T131-L181 HydrophobicContact CG2-CD1 3.55Å; V141-L181 HydrophobicContact CG1-CD2 3.95Å; L149-L181 HydrophobicContact CD1-CD2 3.92Å; L149-L181 HydrophobicContact CD2-CD2 3.41Å; L149-L181 VanDerWaalsContact CD2-CD2 3.41Å; L149-L181 HydrophobicContact CG-CD2 4.26Å; L172-L181 HydrophobicContact CB-CD1 4.36Å; L172-L181 HydrophobicContact CD2-CD2 4.28Å; L172-L181 HydrophobicContact CD2-CG 4.49Å; D173-L181 CarbonylContact O-C 3.48Å; D173-L181 WeakPolarHBondContact O-CA 3.45Å; D173-L181 WeakPolarHBondContact O-CD1 3.38Å; L174-L181 HydrophobicContact CD2-CB 4.38Å; L174-L181 HydrophobicContact CD2-CD1 3.79Å; L174-L181 HydrophobicContact CG-CD1 4.12Å; L181-C192 CarbonylContact O-C 3.52Å; L181-C192 WeakPolarHBondContact O-CA 3.39Å; L181-V193 HydrophobicContact CB-CB 4.31Å; L181-V193 PolarHBondContact N-O 3.19Å; L181-V193 PolarHBondContact O-N 2.97Å; L181-L195 HydrophobicContact CB-CD1 4.31Å; L181-L195 HydrophobicContact CB-CD2 3.93Å; L181-L195 HydrophobicContact CB-CG 4.15Å; L181-L195 HydrophobicContact CD2-CD2 4.34Å
182L98.3Very high94.4Very high1 Ų134.2 Ų34.21%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-83.7125.7171.5-171.364.8000109.9L172 D173 L190 H191 Y204 A218 F220 C227L172-L182 CarbonylContact C-O 3.48Å; L172-L182 WeakPolarHBondContact CA-O 3.2Å; D173-L182 HydrophobicContact CB-CB 4.25Å; D173-L182 PolarHBondContact N-O 3.05Å; D173-L182 PolarHBondContact O-N 2.75Å; L182-L190 HydrophobicContact CD1-CB 4.09Å; L182-H191 WeakPolarHBondContact CA-O 3.27Å; L182-Y204 HydrophobicContact CD1-CD2 4.29Å; L182-Y204 HydrophobicContact CD1-CE2 4.02Å; L182-A218 HydrophobicContact CD2-CB 3.87Å; L182-A218 HydrophobicContact CG-CB 4.44Å; L182-F220 HydrophobicContact CB-CD1 4.35Å; L182-F220 HydrophobicContact CB-CD2 3.96Å; L182-F220 HydrophobicContact CB-CE1 3.97Å; L182-F220 HydrophobicContact CB-CE2 3.53Å; L182-F220 HydrophobicContact CB-CG 4.39Å; L182-F220 HydrophobicContact CB-CZ 3.57Å; L182-F220 HydrophobicContact CD1-CE1 4.12Å; L182-F220 HydrophobicContact CD1-CZ 4.33Å; L182-F220 HydrophobicContact CD2-CD1 4.16Å; L182-F220 HydrophobicContact CD2-CE1 4.33Å; L182-F220 HydrophobicContact CD2-CG 4.42Å; L182-F220 HydrophobicContact CG-CE1 4.38Å; L182-F220 HydrophobicContact CG-CZ 4.41Å; L182-C227 HydrophobicContact CD1-CB 4.14Å; L182-C227 HydrophobicContact CD2-CB 3.71Å
183C98.5Very high94.3Very high0 Ų034.1 Ų34.10%017%0.167CC..EExtended strand (participates in β ladder)trans-120.3120.5177.7-620000109.2L165 L169 S171 L172 L190 H191L165-C183 HydrophobicContact CD1-CB 3.57Å; L169-C183 HydrophobicContact CD2-CB 4.08Å; S171-C183 WeakPolarHBondContact O-CA 3.48Å; L172-C183 HydrophobicContact CD2-CB 4.26Å; L172-C183 VanDerWaalsContact CD2-SG 3.5Å; C183-L190 CarbonylContact O-C 3.59Å; C183-L190 WeakPolarHBondContact O-CA 3.4Å; C183-H191 HydrophobicContact CB-CB 4.4Å; C183-H191 PolarHBondContact N-O 2.98Å; C183-H191 PolarHBondContact O-N 3.45Å
184A98.3Very high94.2Very high0 Ų034.1 Ų34.10%017%0.167CC..EExtended strand (participates in β ladder)trans-91.7138.4167.400000109.9L169 T170 S171 L190 I211 A218L169-A184 CarbonylContact C-O 3.41Å; L169-A184 WeakPolarHBondContact CA-O 3.44Å; T170-A184 PolarHBondContact N-O 2.74Å; T170-A184 VanDerWaalsContact OG1-CB 3.26Å; T170-A184 WeakPolarHBondContact OG1-CB 3.35Å; T170-A184 PolarHBondContact OG1-O 3.02Å; S171-A184 PolarHBondContact O-N 3Å; S171-A184 VanDerWaalsContact OG-CB 3.25Å; S171-A184 WeakPolarHBondContact OG-CB 3.38Å; A184-L190 HydrophobicContact CB-CD2 3.42Å; A184-L190 VanDerWaalsContact CB-CD2 3.42Å; A184-I211 HydrophobicContact CB-CD1 4.12Å; A184-A218 HydrophobicContact CB-CB 3.95Å
185V98Very high94.2Very high0 Ų034.1 Ų34.10%017%0.167CC..EExtended strand (participates in β ladder)trans-136.3153-175.3-77.40000112L165 A167 R168 L169 D187 D188 T189 H191 I211L165-V185 HydrophobicContact CB-CG1 4.01Å; L165-V185 HydrophobicContact CD1-CG1 3.64Å; L165-V185 HydrophobicContact CG-CG1 4.49Å; A167-V185 HydrophobicContact CB-CB 4.35Å; R168-V185 WeakPolarHBondContact O-CA 3.47Å; L169-V185 HydrophobicContact CG-CG1 3.95Å; V185-D187 WeakPolarHBondContact CG2-OD1 3.33Å; V185-D187 PolarHBondContact O-N 3.26Å; V185-D187 VanDerWaalsContact O-N 3.1Å; V185-D188 PolarHBondContact O-N 2.97Å; V185-T189 WeakPolarHBondContact CG2-O 3.38Å; V185-T189 VanDerWaalsContact CG2-OG1 3.28Å; V185-T189 WeakPolarHBondContact CG2-OG1 3.47Å; V185-T189 PolarHBondContact N-O 2.92Å; V185-T189 VanDerWaalsContact N-O 3.11Å; V185-H191 VanDerWaalsContact CG2-CD2 3.46Å; V185-H191 WeakPolarHBondContact CG2-CD2 3.12Å; V185-I211 WeakPolarHBondContact O-CD1 3.48Å
186R97.4Very high94.3Very high68 Ų6843.8 Ų43.826%0.25720%0.203SC..THydrogen-bonded Turntrans-74.47.9-174.4-71.4-62.7-52.5-99.510.7116.1A167 R168 T170 I211 G212 D214A167-R186 HydrophobicContact CB-CB 4.43Å; R168-R186 HydrophobicContact CG-CB 3.58Å; R168-R186 HydrophobicContact CG-CG 3.43Å; R168-R186 VanDerWaalsContact CG-CG 3.43Å; R168-R186 PolarHBondContact O-N 2.79Å; T170-R186 VanDerWaalsContact CG2-CD 3.43Å; T170-R186 HydrophobicContact CG2-CG 3.52Å; R186-I211 PolarHBondContact NE-O 3.47Å; R186-I211 VanDerWaalsContact NE-O 3.09Å; R186-I211 PolarHBondContact NH2-O 2.86Å; R186-G212 PolarHBondContact NH2-O 2.75Å; R186-D214 WeakPolarHBondContact CG-OD1 3.22Å; R186-D214 IonicContact CZ-OD1 3Å; R186-D214 IonicContact NE-OD1 3.35Å; R186-D214 IonicContact NH1-OD1 3.81Å; R186-D214 PolarHBondContact NH1-OD1 3.19Å; R186-D214 IonicContact NH1-OD2 2.59Å
187D96.5Very high94.7Very high60 Ų6040 Ų4032%0.32119%0.188SC..THydrogen-bonded Turntrans-88.314.216769.7-11.8000112.2P166 A167 V185 T189P166-D187 WeakPolarHBondContact CB-OD2 3.22Å; A167-D187 HydrophobicContact CB-CB 3.78Å; V185-D187 WeakPolarHBondContact CG2-OD1 3.33Å; V185-D187 PolarHBondContact O-N 3.26Å; V185-D187 VanDerWaalsContact O-N 3.1Å; D187-T189 WeakPolarHBondContact OD1-CB 3.48Å; D187-T189 PolarHBondContact OD1-N 3.35Å; D187-T189 PolarHBondContact OD1-OG1 3.25Å; D187-T189 PolarHBondContact OD2-OG1 2.96Å
188D97.8Very high95.2Very high36 Ų3639.3 Ų39.319%0.19318%0.184CC..THydrogen-bonded Turntrans67.832.8-179.2-50.4-45.7000113.6V185 F209 K210 I211V185-D188 PolarHBondContact O-N 2.97Å; D188-F209 WeakPolarHBondContact CB-O 3.35Å; D188-F209 VanDerWaalsContact O-CD1 3.23Å; D188-F209 WeakPolarHBondContact O-CD1 3.39Å; D188-K210 HydrophobicContact CB-CD 4.19Å; D188-K210 VanDerWaalsContact CG-CD 3.48Å; D188-K210 WeakPolarHBondContact OD1-CA 3.4Å; D188-K210 WeakPolarHBondContact OD2-CD 3.29Å; D188-K210 IonicContact OD2-NZ 3.64Å; D188-K210 PolarHBondContact OD2-NZ 2.84Å; D188-I211 PolarHBondContact OD1-N 3.42Å
189T97.9Very high95.5Very high19 Ų1942.8 Ų42.812%0.11719%0.193CC..EExtended strand (participates in β ladder)trans-127.5159.3175.873.80000112.8V185 D187 H191 T203 A205V185-T189 WeakPolarHBondContact CG2-O 3.38Å; V185-T189 VanDerWaalsContact CG2-OG1 3.28Å; V185-T189 WeakPolarHBondContact CG2-OG1 3.47Å; V185-T189 PolarHBondContact N-O 2.92Å; V185-T189 VanDerWaalsContact N-O 3.11Å; D187-T189 WeakPolarHBondContact OD1-CB 3.48Å; D187-T189 PolarHBondContact OD1-N 3.35Å; D187-T189 PolarHBondContact OD1-OG1 3.25Å; D187-T189 PolarHBondContact OD2-OG1 2.96Å; T189-H191 PolarHBondContact OG1-CE1 3.28Å; T189-H191 PolarHBondContact OG1-NE2 3.41Å; T189-H191 VanDerWaalsContact OG1-NE2 3.15Å; T189-T203 HydrophobicContact CG2-CG2 4.27Å; T189-A205 HydrophobicContact CG2-CB 4Å
190L98.3Very high95.8Very high0 Ų041.2 Ų41.20%019%0.187CC..EExtended strand (participates in β ladder)trans-112135.9165.7-50.7178.8000108.3L182 C183 A184 T203 Y204 F209 I211 A218 C229 W239L182-L190 HydrophobicContact CD1-CB 4.09Å; C183-L190 CarbonylContact O-C 3.59Å; C183-L190 WeakPolarHBondContact O-CA 3.4Å; A184-L190 HydrophobicContact CB-CD2 3.42Å; A184-L190 VanDerWaalsContact CB-CD2 3.42Å; L190-T203 CarbonylContact O-C 3.52Å; L190-T203 WeakPolarHBondContact O-CA 3.17Å; L190-Y204 HydrophobicContact CB-CD2 3.85Å; L190-Y204 HydrophobicContact CB-CG 4.49Å; L190-Y204 PolarHBondContact N-O 3.07Å; L190-Y204 WeakPolarHBondContact O-CD2 3.33Å; L190-Y204 PolarHBondContact O-N 2.84Å; L190-F209 HydrophobicContact CD2-CE1 4.39Å; L190-F209 HydrophobicContact CD2-CZ 4.31Å; L190-F209 HydrophobicContact CG-CE1 4.28Å; L190-F209 HydrophobicContact CG-CZ 4.47Å; L190-I211 HydrophobicContact CD2-CD1 4.23Å; L190-A218 HydrophobicContact CD1-CB 4.21Å; L190-A218 HydrophobicContact CD2-CB 3.71Å; L190-C229 HydrophobicContact CD1-CB 3.82Å; L190-C229 HydrophobicContact CD2-CB 4.11Å; L190-C229 HydrophobicContact CG-CB 4.48Å; L190-W239 HydrophobicContact CD1-CE3 3.92Å; L190-W239 HydrophobicContact CD1-CH2 4.25Å; L190-W239 HydrophobicContact CD1-CZ3 3.6Å
191H98Very high95.9Very high7 Ų742.6 Ų42.63%0.03219%0.194CC..EExtended strand (participates in β ladder)trans-114.6136.1175.8-63.7-68000110.6P166 L182 C183 V185 T189 I200 K202 T203P166-H191 WeakPolarHBondContact CD-NE2 3.23Å; L182-H191 WeakPolarHBondContact CA-O 3.27Å; C183-H191 HydrophobicContact CB-CB 4.4Å; C183-H191 PolarHBondContact N-O 2.98Å; C183-H191 PolarHBondContact O-N 3.45Å; V185-H191 VanDerWaalsContact CG2-CD2 3.46Å; V185-H191 WeakPolarHBondContact CG2-CD2 3.12Å; T189-H191 PolarHBondContact OG1-CE1 3.28Å; T189-H191 PolarHBondContact OG1-NE2 3.41Å; T189-H191 VanDerWaalsContact OG1-NE2 3.15Å; H191-I200 HydrophobicContact CB-CG1 4.48Å; H191-I200 HydrophobicContact CB-CG2 4.03Å; H191-K202 CarbonylContact C-O 3.52Å; H191-K202 WeakPolarHBondContact CA-O 3.45Å; H191-T203 PolarHBondContact CE1-OG1 2.7Å; H191-T203 PolarHBondContact ND1-OG1 2.74Å
192C97.4Very high95.8Very high3 Ų346.3 Ų46.32%0.0221%0.211CC..EExtended strand (participates in β ladder)trans-96.1121.2165.5-168.50000108.7L181 I200 V201 K202 Y204L181-C192 CarbonylContact O-C 3.52Å; L181-C192 WeakPolarHBondContact O-CA 3.39Å; C192-I200 CarbonylContact O-C 3.58Å; C192-I200 WeakPolarHBondContact O-CA 3.41Å; C192-V201 HydrophobicContact CB-CG2 4.18Å; C192-V201 WeakPolarHBondContact O-CG2 3.28Å; C192-V201 PolarHBondContact O-N 2.88Å; C192-K202 HydrophobicContact CB-CB 3.86Å; C192-K202 PolarHBondContact N-O 3.4Å; C192-K202 PolarHBondContact O-N 2.66Å; C192-Y204 HydrophobicContact CB-CE2 3.94Å
193V97.3Very high95.8Very high0 Ų049.7 Ų49.70%023%0.231CC..EExtended strand (participates in β ladder)trans-102.9125.1174.9176.90000108.7I163 S180 L181 L195 R199 I200I163-V193 HydrophobicContact CD1-CG1 3.63Å; S180-V193 WeakPolarHBondContact CA-O 3.23Å; L181-V193 HydrophobicContact CB-CB 4.31Å; L181-V193 PolarHBondContact N-O 3.19Å; L181-V193 PolarHBondContact O-N 2.97Å; V193-L195 PolarHBondContact O-N 3.41Å; V193-R199 WeakPolarHBondContact CA-O 3.25Å; V193-I200 HydrophobicContact CG2-CG1 4.17Å
194D94.8Very high95.8Very high30 Ų3049.7 Ų49.716%0.1623%0.231CC..EExtended strand (participates in β ladder)trans-76.5121168.8177.1-44.5000108.3R196 Q197 N198 R199 V201D194-R196 VanDerWaalsContact C-N 3.32Å; D194-R196 PolarHBondContact O-N 3.37Å; D194-R196 WeakPolarHBondContact OD1-CA 3.36Å; D194-R196 WeakPolarHBondContact OD1-CB 3.48Å; D194-R196 PolarHBondContact OD1-N 2.92Å; D194-Q197 HydrophobicContact CB-CB 4.12Å; D194-Q197 HydrophobicContact CB-CG 4.46Å; D194-Q197 PolarHBondContact OD1-N 2.92Å; D194-Q197 VanDerWaalsContact OD2-CD 3.26Å; D194-Q197 WeakPolarHBondContact OD2-CG 3.24Å; D194-Q197 PolarHBondContact OD2-NE2 2.67Å; D194-N198 VanDerWaalsContact O-CA 3.29Å; D194-N198 WeakPolarHBondContact O-CA 3.47Å; D194-N198 PolarHBondContact O-N 3.01Å; D194-R199 PolarHBondContact N-O 2.92Å; D194-R199 PolarHBondContact O-N 3.27Å; D194-V201 HydrophobicContact CB-CB 4.43Å; D194-V201 HydrophobicContact CB-CG1 3.47Å; D194-V201 VanDerWaalsContact CB-CG1 3.47Å; D194-V201 HydrophobicContact CB-CG2 4.09Å
195L92.1Very high95.7Very high26 Ų2652.3 Ų52.314%0.13625%0.253CS..THydrogen-bonded Turntrans-77.6-17.3-173.7-69.3173.4000113.5I133 F151 L174 E178 Q179 L181 V193 N198I133-L195 HydrophobicContact CD1-CD1 3.7Å; I133-L195 HydrophobicContact CD1-CD2 4.04Å; I133-L195 HydrophobicContact CD1-CG 4.45Å; I133-L195 HydrophobicContact CG1-CD1 4.31Å; F151-L195 HydrophobicContact CE1-CD2 3.7Å; F151-L195 HydrophobicContact CZ-CD2 3.83Å; L174-L195 HydrophobicContact CD2-CD1 3.53Å; E178-L195 VanDerWaalsContact O-CD1 3.3Å; E178-L195 WeakPolarHBondContact O-CD1 3.36Å; Q179-L195 WeakPolarHBondContact O-CB 3.24Å; Q179-L195 PolarHBondContact O-N 3.24Å; L181-L195 HydrophobicContact CB-CD1 4.31Å; L181-L195 HydrophobicContact CB-CD2 3.93Å; L181-L195 HydrophobicContact CB-CG 4.15Å; L181-L195 HydrophobicContact CD2-CD2 4.34Å; V193-L195 PolarHBondContact O-N 3.41Å; L195-N198 PolarHBondContact O-OD1 2.87Å
196R90.4Very high95.7Very high209 Ų20954.6 Ų54.679%0.78927%0.265SS*.THydrogen-bonded Turntrans-84.5-44.4173.8-179.8179.3175.1158.5-0110.9D194 N198D194-R196 VanDerWaalsContact C-N 3.32Å; D194-R196 PolarHBondContact O-N 3.37Å; D194-R196 WeakPolarHBondContact OD1-CA 3.36Å; D194-R196 WeakPolarHBondContact OD1-CB 3.48Å; D194-R196 PolarHBondContact OD1-N 2.92Å; R196-N198 VanDerWaalsContact C-N 3.35Å
197Q91.2Very high95.5Very high94 Ų9459 Ų5944%0.43929%0.289SS..THydrogen-bonded Turntrans-85.4-12.6-178.8-59.8178.832.800112.8D194 R199D194-Q197 HydrophobicContact CB-CB 4.12Å; D194-Q197 HydrophobicContact CB-CG 4.46Å; D194-Q197 PolarHBondContact OD1-N 2.92Å; D194-Q197 VanDerWaalsContact OD2-CD 3.26Å; D194-Q197 WeakPolarHBondContact OD2-CG 3.24Å; D194-Q197 PolarHBondContact OD2-NE2 2.67Å; Q197-R199 HydrophobicContact CB-CG 3.9Å; Q197-R199 PolarHBondContact O-N 3.47Å
198N90.2Very high95.4Very high71 Ų7160.6 Ų60.638%0.3830%0.298SS..THydrogen-bonded Turntrans60.732.3174.5-65.8-32.4000114K161 D194 L195 R196K161-N198 HydrophobicContact CD-CB 4.45Å; K161-N198 WeakPolarHBondContact CE-ND2 3.42Å; K161-N198 VanDerWaalsContact CE-OD1 3.25Å; K161-N198 WeakPolarHBondContact CE-OD1 3.08Å; K161-N198 PolarHBondContact NZ-OD1 3.19Å; D194-N198 VanDerWaalsContact O-CA 3.29Å; D194-N198 WeakPolarHBondContact O-CA 3.47Å; D194-N198 PolarHBondContact O-N 3.01Å; L195-N198 PolarHBondContact O-OD1 2.87Å; R196-N198 VanDerWaalsContact C-N 3.35Å
199R93.5Very high95.3Very high151 Ų15158.9 Ų58.957%0.5729%0.289SS*.EExtended strand (participates in β ladder)trans-141.6157.1-175.667179.9-179.5158-0.4111.5V193 D194 Q197 V201V193-R199 WeakPolarHBondContact CA-O 3.25Å; D194-R199 PolarHBondContact N-O 2.92Å; D194-R199 PolarHBondContact O-N 3.27Å; Q197-R199 HydrophobicContact CB-CG 3.9Å; Q197-R199 PolarHBondContact O-N 3.47Å; R199-V201 HydrophobicContact CG-CG1 4.25Å; R199-V201 PolarHBondContact O-N 3.06Å
200I95.6Very high95.3Very high60 Ų6062.2 Ų62.231%0.30830%0.301SS..EExtended strand (participates in β ladder)trans-65.4124.5169.5-55.3168.8000108L165 H191 C192 V193 K202L165-I200 HydrophobicContact CD2-CD1 3.5Å; L165-I200 VanDerWaalsContact CD2-CD1 3.5Å; L165-I200 HydrophobicContact CD2-CG1 3.81Å; H191-I200 HydrophobicContact CB-CG1 4.48Å; H191-I200 HydrophobicContact CB-CG2 4.03Å; C192-I200 CarbonylContact O-C 3.58Å; C192-I200 WeakPolarHBondContact O-CA 3.41Å; V193-I200 HydrophobicContact CG2-CG1 4.17Å; I200-K202 WeakPolarHBondContact CG2-O 3.17Å
201V95.3Very high95.2Very high59 Ų5962.4 Ų62.436%0.35830%0.302SS..EExtended strand (participates in β ladder)trans-108.5-24.3177.8-690000112.7C192 D194 R199C192-V201 HydrophobicContact CB-CG2 4.18Å; C192-V201 WeakPolarHBondContact O-CG2 3.28Å; C192-V201 PolarHBondContact O-N 2.88Å; D194-V201 HydrophobicContact CB-CB 4.43Å; D194-V201 HydrophobicContact CB-CG1 3.47Å; D194-V201 VanDerWaalsContact CB-CG1 3.47Å; D194-V201 HydrophobicContact CB-CG2 4.09Å; R199-V201 HydrophobicContact CG-CG1 4.25Å; R199-V201 PolarHBondContact O-N 3.06Å
202K96.1Very high94.9Very high78 Ų7863.3 Ų63.334%0.33931%0.313SS..EExtended strand (participates in β ladder)trans-142.3150.6175.2-64.3-70.2-170.9162.40110.9H191 C192 I200 Y204 Q242H191-K202 CarbonylContact C-O 3.52Å; H191-K202 WeakPolarHBondContact CA-O 3.45Å; C192-K202 HydrophobicContact CB-CB 3.86Å; C192-K202 PolarHBondContact N-O 3.4Å; C192-K202 PolarHBondContact O-N 2.66Å; I200-K202 WeakPolarHBondContact CG2-O 3.17Å; K202-Y204 HydrophobicContact CB-CE1 4.34Å; K202-Y204 HydrophobicContact CB-CE2 4.29Å; K202-Q242 WeakPolarHBondContact CE-O 3.48Å; K202-Q242 PolarHBondContact NZ-O 2.87Å
203T97.6Very high94.6Very high72 Ų7266 Ų6644%0.44232%0.323SS..EExtended strand (participates in β ladder)trans-128.8128.8169.2-57.90000107.6T189 L190 H191T189-T203 HydrophobicContact CG2-CG2 4.27Å; L190-T203 CarbonylContact O-C 3.52Å; L190-T203 WeakPolarHBondContact O-CA 3.17Å; H191-T203 PolarHBondContact CE1-OG1 2.7Å; H191-T203 PolarHBondContact ND1-OG1 2.74Å
204Y97.9Very high94.5Very high0 Ų067.8 Ų67.80%033%0.333CS..EExtended strand (participates in β ladder)trans-108.8125.3176.6-42.8-85.6000107.7L182 L190 C192 K202 W239 I241L182-Y204 HydrophobicContact CD1-CD2 4.29Å; L182-Y204 HydrophobicContact CD1-CE2 4.02Å; L190-Y204 HydrophobicContact CB-CD2 3.85Å; L190-Y204 HydrophobicContact CB-CG 4.49Å; L190-Y204 PolarHBondContact N-O 3.07Å; L190-Y204 WeakPolarHBondContact O-CD2 3.33Å; L190-Y204 PolarHBondContact O-N 2.84Å; C192-Y204 HydrophobicContact CB-CE2 3.94Å; K202-Y204 HydrophobicContact CB-CE1 4.34Å; K202-Y204 HydrophobicContact CB-CE2 4.29Å; Y204-W239 HydrophobicContact CD1-CB 3.66Å; Y204-W239 HydrophobicContact CD1-CG 4.04Å; Y204-W239 HydrophobicContact CE1-CB 4.33Å; Y204-W239 HydrophobicContact CG-CB 4.2Å; Y204-W239 HydrophobicContact CG-CG 4.23Å; Y204-I241 WeakPolarHBondContact OH-CA 3.39Å; Y204-I241 PolarHBondContact OH-O 2.8Å
205A96.9Very high94.3Very high56 Ų5670.2 Ų70.246%0.46334%0.342SS..  trans-149.4157-178.100000108.9T189T189-A205 HydrophobicContact CG2-CB 4Å
206D97.1Very high94.5Very high47 Ų4769 Ų6925%0.25134%0.337SS..  trans-147.3149.1168.6-176.4-96.3000107.7N208 F209 Y237 W239 L246D206-N208 PolarHBondContact O-N 3Å; D206-N208 WeakPolarHBondContact OD1-CB 3.22Å; D206-N208 PolarHBondContact OD1-N 3.3Å; D206-F209 HydrophobicContact CB-CB 3.88Å; D206-F209 PolarHBondContact O-N 3.3Å; D206-Y237 HydrophobicContact CB-CD1 4.22Å; D206-Y237 HydrophobicContact CB-CE1 4.01Å; D206-W239 HydrophobicContact CB-CZ2 4.45Å; D206-L246 HydrophobicContact CB-CD2 4.33Å
207E94.7Very high94.8Very high160 Ų16060.2 Ų60.275%0.74830%0.303SS*.SBendtrans-61.5-31.5-177.759.9-178.8179.100112.9
208N93.9Very high95.1Very high95 Ų9555.7 Ų55.751%0.50828%0.282SS..SBendtrans-94.3-12.1-178-59.5-58.6000112.8D206 Y237D206-N208 PolarHBondContact O-N 3Å; D206-N208 WeakPolarHBondContact OD1-CB 3.22Å; D206-N208 PolarHBondContact OD1-N 3.3Å; N208-Y237 VanDerWaalsContact C-OH 3.3Å; N208-Y237 WeakPolarHBondContact CB-OH 3.44Å; N208-Y237 PolarHBondContact O-OH 3.34Å
209F96.2Very high95.4Very high0 Ų053.5 Ų53.50%027%0.269CS..  trans-74.5128.5177.2176.2-116.7000110.6D188 L190 D206 I211 C229 Y237 W239D188-F209 WeakPolarHBondContact CB-O 3.35Å; D188-F209 VanDerWaalsContact O-CD1 3.23Å; D188-F209 WeakPolarHBondContact O-CD1 3.39Å; L190-F209 HydrophobicContact CD2-CE1 4.39Å; L190-F209 HydrophobicContact CD2-CZ 4.31Å; L190-F209 HydrophobicContact CG-CE1 4.28Å; L190-F209 HydrophobicContact CG-CZ 4.47Å; D206-F209 HydrophobicContact CB-CB 3.88Å; D206-F209 PolarHBondContact O-N 3.3Å; F209-I211 HydrophobicContact CE1-CD1 3.87Å; F209-I211 HydrophobicContact CE1-CG1 3.84Å; F209-I211 HydrophobicContact CE2-CG1 4.37Å; F209-I211 HydrophobicContact CZ-CD1 3.84Å; F209-I211 HydrophobicContact CZ-CG1 3.54Å; F209-C229 HydrophobicContact CE2-CB 3.92Å; F209-C229 HydrophobicContact CZ-CB 3.76Å; F209-Y237 HydrophobicContact CB-CD1 4.13Å; F209-Y237 HydrophobicContact CB-CD2 4.4Å; F209-Y237 HydrophobicContact CB-CE1 4Å; F209-Y237 HydrophobicContact CB-CE2 4.25Å; F209-Y237 HydrophobicContact CB-CG 4.36Å; F209-Y237 AromaticContact CD2-CD2 3.61Å; F209-Y237 HydrophobicContact CD2-CD2 3.61Å; F209-Y237 HydrophobicContact CD2-CE2 4.01Å; F209-Y237 AromaticContact CD2-CG 3.92Å; F209-Y237 HydrophobicContact CD2-CG 3.92Å; F209-Y237 HydrophobicContact CE2-CD2 4.41Å; F209-Y237 HydrophobicContact CG-CD2 4.43Å; F209-Y237 HydrophobicContact CG-CG 4.45Å; F209-W239 HydrophobicContact CB-CH2 4.46Å; F209-W239 HydrophobicContact CB-CZ2 4.35Å; F209-W239 AromaticContact CD1-CH2 3.86Å; F209-W239 HydrophobicContact CD1-CH2 3.86Å; F209-W239 HydrophobicContact CD1-CZ2 4.12Å; F209-W239 AromaticContact CD2-CH2 3.8Å; F209-W239 HydrophobicContact CD2-CH2 3.8Å; F209-W239 HydrophobicContact CD2-CZ2 4.49Å; F209-W239 AromaticContact CE1-CH2 3.98Å; F209-W239 HydrophobicContact CE1-CH2 3.98Å; F209-W239 AromaticContact CE2-CH2 3.94Å; F209-W239 HydrophobicContact CE2-CH2 3.94Å; F209-W239 AromaticContact CG-CH2 3.77Å; F209-W239 HydrophobicContact CG-CH2 3.77Å; F209-W239 HydrophobicContact CG-CZ2 4.07Å; F209-W239 HydrophobicContact CZ-CH2 4.03Å
210K96.3Very high95.3Very high89 Ų8946.9 Ų46.939%0.38724%0.244SC..  trans-138.7129.6-179.4-62.5-63.2166-150.70112.3D188 G212 S231 A232D188-K210 HydrophobicContact CB-CD 4.19Å; D188-K210 VanDerWaalsContact CG-CD 3.48Å; D188-K210 WeakPolarHBondContact OD1-CA 3.4Å; D188-K210 WeakPolarHBondContact OD2-CD 3.29Å; D188-K210 IonicContact OD2-NZ 3.64Å; D188-K210 PolarHBondContact OD2-NZ 2.84Å; K210-G212 PolarHBondContact O-N 3.2Å; K210-S231 PolarHBondContact N-OG 2.59Å; K210-S231 VanDerWaalsContact N-OG 3.11Å; K210-S231 CarbonylContact O-C 3.48Å; K210-S231 VanDerWaalsContact O-CA 3.24Å; K210-S231 WeakPolarHBondContact O-CA 3.42Å; K210-S231 PolarHBondContact O-OG 3.16Å; K210-A232 HydrophobicContact CB-CB 3.83Å; K210-A232 PolarHBondContact O-N 3.18Å
211I96.2Very high94.8Very high3 Ų344.2 Ų44.22%0.01523%0.23CC..  trans-92.6103.3176.1-66.8170.7000109.6T170 A184 V185 R186 D188 L190 F209 Y213 A216T170-I211 HydrophobicContact CG2-CG2 4.01Å; A184-I211 HydrophobicContact CB-CD1 4.12Å; V185-I211 WeakPolarHBondContact O-CD1 3.48Å; R186-I211 PolarHBondContact NE-O 3.47Å; R186-I211 VanDerWaalsContact NE-O 3.09Å; R186-I211 PolarHBondContact NH2-O 2.86Å; D188-I211 PolarHBondContact OD1-N 3.42Å; L190-I211 HydrophobicContact CD2-CD1 4.23Å; F209-I211 HydrophobicContact CE1-CD1 3.87Å; F209-I211 HydrophobicContact CE1-CG1 3.84Å; F209-I211 HydrophobicContact CE2-CG1 4.37Å; F209-I211 HydrophobicContact CZ-CD1 3.84Å; F209-I211 HydrophobicContact CZ-CG1 3.54Å; I211-Y213 PolarHBondContact O-N 3.32Å; I211-A216 HydrophobicContact CG2-CB 3.56Å
212G91.9Very high93.9Very high26 Ų2643.7 Ų43.727%0.26823%0.229SC..  trans-72.7-25.5-172.900000115.5R186 K210R186-G212 PolarHBondContact NH2-O 2.75Å; K210-G212 PolarHBondContact O-N 3.2Å
213Y92.5Very high92.9Very high59 Ų5943.9 Ų43.923%0.23123%0.233CC..SBendtrans-137.4153.9-170.9-69.4-68.9000114.1T170 I211 F215 A216 C259 T261 R277T170-Y213 WeakPolarHBondContact CG2-O 3.39Å; I211-Y213 PolarHBondContact O-N 3.32Å; Y213-F215 AromaticContact CD1-CE1 3.88Å; Y213-F215 HydrophobicContact CD1-CE1 3.88Å; Y213-F215 HydrophobicContact CD1-CE2 4.48Å; Y213-F215 AromaticContact CD1-CZ 3.63Å; Y213-F215 HydrophobicContact CD1-CZ 3.63Å; Y213-F215 HydrophobicContact CD2-CE2 4.3Å; Y213-F215 HydrophobicContact CD2-CZ 4.18Å; Y213-F215 HydrophobicContact CE1-CZ 4.38Å; Y213-F215 HydrophobicContact CG-CE1 4.01Å; Y213-F215 AromaticContact CG-CE2 3.95Å; Y213-F215 HydrophobicContact CG-CE2 3.95Å; Y213-F215 AromaticContact CG-CZ 3.53Å; Y213-F215 HydrophobicContact CG-CZ 3.53Å; Y213-F215 PolarHBondContact O-N 2.74Å; Y213-F215 VanDerWaalsContact O-N 3.1Å; Y213-A216 PolarHBondContact O-N 2.84Å; Y213-C259 HydrophobicContact CD2-CB 4.35Å; Y213-C259 WeakPolarHBondContact CD2-SG 3.35Å; Y213-C259 HydrophobicContact CE2-CB 3.82Å; Y213-C259 WeakPolarHBondContact CE2-SG 3.49Å; Y213-T261 HydrophobicContact CD2-CG2 3.96Å; Y213-T261 HydrophobicContact CE2-CG2 4.32Å; Y213-R277 VanDerWaalsContact OH-CD 3.3Å; Y213-R277 WeakPolarHBondContact OH-CD 3.26Å; Y213-R277 PolarHBondContact OH-NE 3.09Å; Y213-R277 PolarHBondContact OH-NH1 2.92Å
214D93.5Very high92.1Very high38 Ų3842.2 Ų42.220%0.20322%0.221CC..THydrogen-bonded Turntrans-69.4-3177.6-67-25.2000114.4R168 T170 R186R168-D214 VanDerWaalsContact CZ-CG 3.46Å; R168-D214 IonicContact CZ-OD1 3.15Å; R168-D214 IonicContact CZ-OD2 3.87Å; R168-D214 IonicContact NE-OD1 2.7Å; R168-D214 PolarHBondContact NE-OD1 2.92Å; R168-D214 VanDerWaalsContact NE-OD1 3.08Å; R168-D214 VanDerWaalsContact NH1-CG 3.26Å; R168-D214 IonicContact NH1-OD1 3.9Å; R168-D214 PolarHBondContact NH1-OD1 3.2Å; R168-D214 VanDerWaalsContact NH1-OD1 3.1Å; R168-D214 IonicContact NH1-OD2 3.89Å; R168-D214 PolarHBondContact NH1-OD2 3.39Å; R168-D214 IonicContact NH2-OD1 3.78Å; R168-D214 PolarHBondContact NH2-OD1 2.97Å; R168-D214 VanDerWaalsContact NH2-OD1 3.16Å; R168-D214 IonicContact NH2-OD2 3.93Å; T170-D214 WeakPolarHBondContact CA-O 3.21Å; R186-D214 WeakPolarHBondContact CG-OD1 3.22Å; R186-D214 IonicContact CZ-OD1 3Å; R186-D214 IonicContact NE-OD1 3.35Å; R186-D214 IonicContact NH1-OD1 3.81Å; R186-D214 PolarHBondContact NH1-OD1 3.19Å; R186-D214 IonicContact NH1-OD2 2.59Å
215F91.8Very high91.2Very high81 Ų8149.6 Ų49.636%0.35525%0.249SC..THydrogen-bonded Turntrans-127.217-178.351.7-97.2000111.9Y213 R217 T261Y213-F215 AromaticContact CD1-CE1 3.88Å; Y213-F215 HydrophobicContact CD1-CE1 3.88Å; Y213-F215 HydrophobicContact CD1-CE2 4.48Å; Y213-F215 AromaticContact CD1-CZ 3.63Å; Y213-F215 HydrophobicContact CD1-CZ 3.63Å; Y213-F215 HydrophobicContact CD2-CE2 4.3Å; Y213-F215 HydrophobicContact CD2-CZ 4.18Å; Y213-F215 HydrophobicContact CE1-CZ 4.38Å; Y213-F215 HydrophobicContact CG-CE1 4.01Å; Y213-F215 AromaticContact CG-CE2 3.95Å; Y213-F215 HydrophobicContact CG-CE2 3.95Å; Y213-F215 AromaticContact CG-CZ 3.53Å; Y213-F215 HydrophobicContact CG-CZ 3.53Å; Y213-F215 PolarHBondContact O-N 2.74Å; Y213-F215 VanDerWaalsContact O-N 3.1Å; F215-R217 PolarHBondContact O-N 3.28Å; F215-T261 HydrophobicContact CE2-CG2 3.85Å
216A95.3Very high90.9Very high2 Ų250.6 Ų50.62%0.01724%0.242CC..  trans-61.5132.4172.400000110.4T170 S171 I211 Y213 T261T170-A216 CarbonylContact C-O 3.58Å; T170-A216 WeakPolarHBondContact CB-O 3.47Å; T170-A216 PolarHBondContact OG1-O 2.86Å; S171-A216 VanDerWaalsContact CB-O 3.26Å; S171-A216 WeakPolarHBondContact CB-O 3.34Å; S171-A216 PolarHBondContact OG-O 3.11Å; I211-A216 HydrophobicContact CG2-CB 3.56Å; Y213-A216 PolarHBondContact O-N 2.84Å; A216-T261 VanDerWaalsContact CA-O 3.27Å; A216-T261 WeakPolarHBondContact CA-O 3.24Å
217R96.6Very high90.8Very high23 Ų2348.4 Ų48.49%0.08723%0.23CC..BIsolated β-bridgetrans-107.9115.3-177.4-51-58-170110.8-4.2112.8L87 D129 F215 T261 A262 S263L87-R217 PolarHBondContact O-NH2 3.38Å; D129-R217 IonicContact OD1-CZ 3.51Å; D129-R217 IonicContact OD1-NH1 2.71Å; D129-R217 PolarHBondContact OD1-NH1 2.99Å; D129-R217 IonicContact OD1-NH2 3.14Å; D129-R217 IonicContact OD2-CZ 2.88Å; D129-R217 IonicContact OD2-NE 3.33Å; D129-R217 IonicContact OD2-NH1 2.86Å; D129-R217 PolarHBondContact OD2-NH1 2.7Å; F215-R217 PolarHBondContact O-N 3.28Å; R217-T261 PolarHBondContact N-O 3.4Å; R217-T261 VanDerWaalsContact N-O 3.11Å; R217-A262 HydrophobicContact CB-CB 3.86Å; R217-A262 HydrophobicContact CG-CB 3.85Å; R217-S263 PolarHBondContact O-N 3.32Å; R217-S263 PolarHBondContact O-OG 2.59Å
218A97.5Very high90.7Very high0 Ų040.8 Ų40.80%019%0.194CC..  trans-92.2151.7164.100000111.2S171 L182 A184 L190 V228 C229S171-A218 PolarHBondContact OG-N 3.25Å; L182-A218 HydrophobicContact CD2-CB 3.87Å; L182-A218 HydrophobicContact CG-CB 4.44Å; A184-A218 HydrophobicContact CB-CB 3.95Å; L190-A218 HydrophobicContact CD1-CB 4.21Å; L190-A218 HydrophobicContact CD2-CB 3.71Å; A218-V228 CarbonylContact C-O 3.54Å; A218-V228 VanDerWaalsContact CA-O 3.24Å; A218-V228 WeakPolarHBondContact CA-O 3.48Å; A218-C229 HydrophobicContact CB-CB 3.85Å
219R96.4Very high90.8Very high25 Ų2536.3 Ų36.39%0.09417%0.17CC..EExtended strand (participates in β ladder)trans-142.3147.2-179.2-66.2-65.5176.9-123.515.9113L172 D173 C227 V228 S263L172-R219 PolarHBondContact O-NH1 3.09Å; D173-R219 WeakPolarHBondContact OD1-CD 3.35Å; D173-R219 IonicContact OD1-CZ 2.88Å; D173-R219 IonicContact OD1-NE 2.74Å; D173-R219 IonicContact OD1-NH1 2.66Å; D173-R219 WeakPolarHBondContact OD2-CA 3.04Å; D173-R219 WeakPolarHBondContact OD2-CD 3.39Å; R219-C227 CarbonylContact O-C 3.5Å; R219-C227 WeakPolarHBondContact O-CA 3.33Å; R219-V228 HydrophobicContact CB-CG1 4.21Å; R219-V228 PolarHBondContact N-O 2.84Å; R219-V228 PolarHBondContact O-N 3.4Å; R219-S263 WeakPolarHBondContact CG-O 3.18Å
220F92.2Very high90.7Very high12 Ų1236.5 Ų36.55%0.05317%0.172CC..EExtended strand (participates in β ladder)trans-75.2150.9163.3-73.3-52.1000110.8D173 L182 Y226 C227 I241 W265D173-F220 PolarHBondContact OD2-N 3.42Å; L182-F220 HydrophobicContact CB-CD1 4.35Å; L182-F220 HydrophobicContact CB-CD2 3.96Å; L182-F220 HydrophobicContact CB-CE1 3.97Å; L182-F220 HydrophobicContact CB-CE2 3.53Å; L182-F220 HydrophobicContact CB-CG 4.39Å; L182-F220 HydrophobicContact CB-CZ 3.57Å; L182-F220 HydrophobicContact CD1-CE1 4.12Å; L182-F220 HydrophobicContact CD1-CZ 4.33Å; L182-F220 HydrophobicContact CD2-CD1 4.16Å; L182-F220 HydrophobicContact CD2-CE1 4.33Å; L182-F220 HydrophobicContact CD2-CG 4.42Å; L182-F220 HydrophobicContact CG-CE1 4.38Å; L182-F220 HydrophobicContact CG-CZ 4.41Å; F220-Y226 CarbonylContact C-O 3.52Å; F220-C227 HydrophobicContact CD1-CB 3.88Å; F220-C227 HydrophobicContact CE1-CB 4.21Å; F220-I241 HydrophobicContact CD1-CD1 3.33Å; F220-I241 HydrophobicContact CD1-CG1 4.07Å; F220-I241 HydrophobicContact CE1-CD1 3.52Å; F220-I241 HydrophobicContact CE1-CG1 3.89Å; F220-I241 HydrophobicContact CG-CD1 4.37Å; F220-W265 PolarHBondContact O-NE1 3.33Å
221S85.1Confident90.6Very high3 Ų332.2 Ų32.22%0.02115%0.154CC..  trans-70.5151.2164.162.10000109.6D223 D224 R225 Y226S221-D223 VanDerWaalsContact CB-OD1 3.29Å; S221-D223 WeakPolarHBondContact CB-OD1 3.34Å; S221-D223 PolarHBondContact O-N 3.34Å; S221-D223 PolarHBondContact OG-OD1 3.48Å; S221-D224 PolarHBondContact O-N 3.45Å; S221-R225 PolarHBondContact OG-N 2.96Å; S221-Y226 PolarHBondContact N-O 2.82Å; S221-Y226 PolarHBondContact OG-N 2.79Å; S221-Y226 PolarHBondContact OG-O 3.1Å
222P76.8Confident90.5Very high49 Ų4933.9 Ų33.932%0.31817%0.168SC..THydrogen-bonded Turntrans-61-18.6-177.4-24.334.2000114.9W265 N266 A267P222-W265 HydrophobicContact CG-CB 4.12Å; P222-N266 VanDerWaalsContact CG-O 3.28Å; P222-N266 WeakPolarHBondContact CG-O 3.26Å; P222-A267 WeakPolarHBondContact CB-O 3Å
223D75.1Confident90.4Very high82 Ų8235.8 Ų35.844%0.43917%0.172SC..THydrogen-bonded Turntrans-98.78178.668.6-13.4000113.5S221 R225S221-D223 VanDerWaalsContact CB-OD1 3.29Å; S221-D223 WeakPolarHBondContact CB-OD1 3.34Å; S221-D223 PolarHBondContact O-N 3.34Å; S221-D223 PolarHBondContact OG-OD1 3.48Å; D223-R225 HydrophobicContact CB-CG 4.41Å; D223-R225 PolarHBondContact O-N 3.35Å; D223-R225 VanDerWaalsContact O-N 3.11Å; D223-R225 PolarHBondContact OD1-N 3.16Å; D223-R225 WeakPolarHBondContact OD2-CD 3.33Å; D223-R225 WeakPolarHBondContact OD2-CG 3.42Å; D223-R225 IonicContact OD2-NE 2.87Å
224D80.2Confident90.2Very high36 Ų3633.4 Ų33.419%0.19317%0.166CC..SBendtrans52.430.4-178.7-65.4-34.3000114.2S175 F176 S221 I241S175-D224 VanDerWaalsContact CA-OD1 3.28Å; S175-D224 WeakPolarHBondContact CA-OD1 3.43Å; S175-D224 WeakPolarHBondContact CB-OD1 3.28Å; F176-D224 VanDerWaalsContact CB-OD2 3.3Å; F176-D224 WeakPolarHBondContact CB-OD2 3.15Å; F176-D224 PolarHBondContact N-OD1 3.48Å; F176-D224 PolarHBondContact N-OD2 3.1Å; S221-D224 PolarHBondContact O-N 3.45Å; D224-I241 VanDerWaalsContact C-CD1 3.47Å; D224-I241 VanDerWaalsContact O-CD1 3.28Å; D224-I241 WeakPolarHBondContact O-CD1 3.21Å
225R80.2Confident90Very high156 Ų15632 Ų3259%0.58916%0.159SC*.SBendtrans-93.4-36.9174.9-66.4-170.4-173.3-179.90.8113.5S221 D223 E240 I241S221-R225 PolarHBondContact OG-N 2.96Å; D223-R225 HydrophobicContact CB-CG 4.41Å; D223-R225 PolarHBondContact O-N 3.35Å; D223-R225 VanDerWaalsContact O-N 3.11Å; D223-R225 PolarHBondContact OD1-N 3.16Å; D223-R225 WeakPolarHBondContact OD2-CD 3.33Å; D223-R225 WeakPolarHBondContact OD2-CG 3.42Å; D223-R225 IonicContact OD2-NE 2.87Å; R225-E240 WeakPolarHBondContact O-CA 3.26Å; R225-I241 PolarHBondContact O-N 2.78Å
226Y90.5Very high89.9Confident77 Ų7728.1 Ų28.130%0.30214%0.142SC..EExtended strand (participates in β ladder)trans-128.4150.6-174.1-54.3-74.9000111.7F220 S221 W239 E240 I241 V247F220-Y226 CarbonylContact C-O 3.52Å; S221-Y226 PolarHBondContact N-O 2.82Å; S221-Y226 PolarHBondContact OG-N 2.79Å; S221-Y226 PolarHBondContact OG-O 3.1Å; Y226-W239 CarbonylContact C-O 3.56Å; Y226-W239 WeakPolarHBondContact CA-O 3.45Å; Y226-E240 HydrophobicContact CD1-CB 4.23Å; Y226-E240 HydrophobicContact CE1-CB 4.21Å; Y226-E240 HydrophobicContact CE1-CG 4.47Å; Y226-I241 WeakPolarHBondContact O-CD1 3.4Å; Y226-V247 HydrophobicContact CD1-CG2 4.23Å; Y226-V247 HydrophobicContact CE1-CG1 4.33Å; Y226-V247 HydrophobicContact CE1-CG2 3.98Å
227C93.5Very high89.9Confident0 Ų028.4 Ų28.40%014%0.142CC..EExtended strand (participates in β ladder)trans-114.7146.4161.766.90000109.9L182 R219 F220 F238 W239 I241L182-C227 HydrophobicContact CD1-CB 4.14Å; L182-C227 HydrophobicContact CD2-CB 3.71Å; R219-C227 CarbonylContact O-C 3.5Å; R219-C227 WeakPolarHBondContact O-CA 3.33Å; F220-C227 HydrophobicContact CD1-CB 3.88Å; F220-C227 HydrophobicContact CE1-CB 4.21Å; C227-F238 WeakPolarHBondContact O-CA 3.44Å; C227-W239 PolarHBondContact N-O 2.97Å; C227-W239 PolarHBondContact O-N 2.94Å; C227-I241 HydrophobicContact CB-CG1 4.35Å
228V94.1Very high89.7Confident0 Ų028 Ų280%014%0.141CC..EExtended strand (participates in β ladder)trans-124.2139.1-177.572.10000110.7A218 R219 V236 Y237 F238 S263 W265 V272A218-V228 CarbonylContact C-O 3.54Å; A218-V228 VanDerWaalsContact CA-O 3.24Å; A218-V228 WeakPolarHBondContact CA-O 3.48Å; R219-V228 HydrophobicContact CB-CG1 4.21Å; R219-V228 PolarHBondContact N-O 2.84Å; R219-V228 PolarHBondContact O-N 3.4Å; V228-V236 HydrophobicContact CG2-CG1 3.38Å; V228-Y237 WeakPolarHBondContact CA-O 3.16Å; V228-F238 HydrophobicContact CB-CD1 4.19Å; V228-F238 HydrophobicContact CB-CE1 4.13Å; V228-F238 HydrophobicContact CG2-CD1 3.95Å; V228-F238 HydrophobicContact CG2-CD2 4.38Å; V228-F238 HydrophobicContact CG2-CE1 3.62Å; V228-F238 HydrophobicContact CG2-CE2 4.06Å; V228-F238 HydrophobicContact CG2-CG 4.32Å; V228-F238 HydrophobicContact CG2-CZ 3.67Å; V228-S263 PolarHBondContact O-OG 3.14Å; V228-W265 HydrophobicContact CB-CZ2 4.11Å; V228-W265 HydrophobicContact CG1-CZ2 4.37Å; V228-V272 HydrophobicContact CG1-CG1 4.48Å; V228-V272 HydrophobicContact CG2-CG1 4.24Å
229C95.9Very high89.5Confident1 Ų128.1 Ų28.11%0.00714%0.142CC..EExtended strand (participates in β ladder)trans-147.1144.2167.5-1630000111.3L190 F209 A218 Y237 W239L190-C229 HydrophobicContact CD1-CB 3.82Å; L190-C229 HydrophobicContact CD2-CB 4.11Å; L190-C229 HydrophobicContact CG-CB 4.48Å; F209-C229 HydrophobicContact CE2-CB 3.92Å; F209-C229 HydrophobicContact CZ-CB 3.76Å; A218-C229 HydrophobicContact CB-CB 3.85Å; C229-Y237 PolarHBondContact N-O 2.95Å; C229-Y237 VanDerWaalsContact N-O 3.09Å; C229-Y237 PolarHBondContact O-N 2.87Å; C229-W239 HydrophobicContact CB-CZ3 4.25Å
230G93.2Very high89.2Confident4 Ų430.4 Ų30.44%0.04115%0.153CC..EExtended strand (participates in β ladder)trans-85.8148.2171.900000112.6
231S94.6Very high89Confident0 Ų030.9 Ų30.90%016%0.156CC..  trans-110.1166.3-175.31770000112.5K210 D233 G234 S235 I260K210-S231 PolarHBondContact N-OG 2.59Å; K210-S231 VanDerWaalsContact N-OG 3.11Å; K210-S231 CarbonylContact O-C 3.48Å; K210-S231 VanDerWaalsContact O-CA 3.24Å; K210-S231 WeakPolarHBondContact O-CA 3.42Å; K210-S231 PolarHBondContact O-OG 3.16Å; S231-D233 VanDerWaalsContact C-N 3.28Å; S231-D233 WeakPolarHBondContact CB-OD1 3.22Å; S231-D233 PolarHBondContact O-N 3Å; S231-D233 PolarHBondContact OG-OD1 3.15Å; S231-G234 PolarHBondContact O-N 3.04Å; S231-G234 VanDerWaalsContact O-N 3.16Å; S231-S235 WeakPolarHBondContact CB-O 3.11Å; S231-S235 PolarHBondContact N-O 2.77Å; S231-I260 PolarHBondContact O-N 3.49Å
232A93Very high89.1Confident38 Ų3838.4 Ų38.431%0.31419%0.191SC..THydrogen-bonded Turntrans-66.4-27.6-178.700000113.7K210 G234 C259K210-A232 HydrophobicContact CB-CB 3.83Å; K210-A232 PolarHBondContact O-N 3.18Å; A232-G234 PolarHBondContact O-N 3.38Å; A232-C259 VanDerWaalsContact O-CA 3.3Å; A232-C259 WeakPolarHBondContact O-CA 3.08Å; A232-C259 WeakPolarHBondContact O-CB 3.35Å; A232-C259 PolarHBondContact O-N 2.9Å
233D90.1Very high89.7Confident66 Ų6638.3 Ų38.335%0.35319%0.192SC..THydrogen-bonded Turntrans-79.9-1.3175.269.2-26.5000113.3S231 S235 G257S231-D233 VanDerWaalsContact C-N 3.28Å; S231-D233 WeakPolarHBondContact CB-OD1 3.22Å; S231-D233 PolarHBondContact O-N 3Å; S231-D233 PolarHBondContact OG-OD1 3.15Å; D233-S235 VanDerWaalsContact C-N 3.34Å; D233-S235 VanDerWaalsContact CG-OG 3.27Å; D233-S235 WeakPolarHBondContact OD1-CB 3.17Å; D233-S235 PolarHBondContact OD1-N 3.35Å; D233-S235 PolarHBondContact OD1-OG 2.81Å; D233-S235 WeakPolarHBondContact OD2-CB 3.32Å; D233-S235 PolarHBondContact OD2-OG 3.1Å; D233-G257 CarbonylContact C-O 3.57Å; D233-G257 CarbonylContact O-C 3.55Å; D233-G257 WeakPolarHBondContact O-CA 3.16Å; D233-G257 PolarHBondContact O-N 3.3Å; D233-G257 VanDerWaalsContact O-N 3.11Å
234G88.1Confident90.5Very high9 Ų935.4 Ų35.49%0.09318%0.181CC..SBendtrans82.18.8-177.100000115S231 A232 S258 I260S231-G234 PolarHBondContact O-N 3.04Å; S231-G234 VanDerWaalsContact O-N 3.16Å; A232-G234 PolarHBondContact O-N 3.38Å; G234-S258 WeakPolarHBondContact CA-O 3.37Å; G234-I260 WeakPolarHBondContact O-CD1 3.45Å
235S90.2Very high91Very high8 Ų840.7 Ų40.76%0.05620%0.202CC..  trans-83.6154173.2-57.40000111.4S231 D233 L250 S251S231-S235 WeakPolarHBondContact CB-O 3.11Å; S231-S235 PolarHBondContact N-O 2.77Å; D233-S235 VanDerWaalsContact C-N 3.34Å; D233-S235 VanDerWaalsContact CG-OG 3.27Å; D233-S235 WeakPolarHBondContact OD1-CB 3.17Å; D233-S235 PolarHBondContact OD1-N 3.35Å; D233-S235 PolarHBondContact OD1-OG 2.81Å; D233-S235 WeakPolarHBondContact OD2-CB 3.32Å; D233-S235 PolarHBondContact OD2-OG 3.1Å; S235-L250 CarbonylContact C-O 3.59Å; S235-L250 VanDerWaalsContact CA-O 3.24Å; S235-L250 WeakPolarHBondContact CA-O 3.3Å; S235-S251 VanDerWaalsContact OG-CB 3.29Å; S235-S251 WeakPolarHBondContact OG-CB 3.33Å
236V90.3Very high91.6Very high0 Ų036.1 Ų36.10%019%0.189CC..EExtended strand (participates in β ladder)trans-114.9123.4175.8-169.30000108.7V228 F238 T249 L250 I260 T274 W284V228-V236 HydrophobicContact CG2-CG1 3.38Å; V236-F238 HydrophobicContact CB-CE2 4.02Å; V236-F238 HydrophobicContact CG1-CD2 4.33Å; V236-F238 HydrophobicContact CG1-CE2 3.53Å; V236-F238 HydrophobicContact CG1-CZ 3.9Å; V236-T249 CarbonylContact O-C 3.55Å; V236-T249 WeakPolarHBondContact O-CA 3.48Å; V236-L250 HydrophobicContact CB-CB 4.23Å; V236-L250 PolarHBondContact N-O 3.36Å; V236-L250 PolarHBondContact O-N 2.83Å; V236-I260 HydrophobicContact CG2-CD1 3.4Å; V236-T274 HydrophobicContact CG1-CG2 4.21Å; V236-T274 HydrophobicContact CG2-CG2 3.76Å; V236-W284 HydrophobicContact CG2-CH2 4.5Å; V236-W284 HydrophobicContact CG2-CZ2 3.81Å
237Y93.5Very high91.5Very high7 Ų736.1 Ų36.13%0.02720%0.197CC..EExtended strand (participates in β ladder)trans-107.5139.9-176.2-71-109.5000110.4D206 N208 F209 V228 C229 W239 L246 T249D206-Y237 HydrophobicContact CB-CD1 4.22Å; D206-Y237 HydrophobicContact CB-CE1 4.01Å; N208-Y237 VanDerWaalsContact C-OH 3.3Å; N208-Y237 WeakPolarHBondContact CB-OH 3.44Å; N208-Y237 PolarHBondContact O-OH 3.34Å; F209-Y237 HydrophobicContact CB-CD1 4.13Å; F209-Y237 HydrophobicContact CB-CD2 4.4Å; F209-Y237 HydrophobicContact CB-CE1 4Å; F209-Y237 HydrophobicContact CB-CE2 4.25Å; F209-Y237 HydrophobicContact CB-CG 4.36Å; F209-Y237 AromaticContact CD2-CD2 3.61Å; F209-Y237 HydrophobicContact CD2-CD2 3.61Å; F209-Y237 HydrophobicContact CD2-CE2 4.01Å; F209-Y237 AromaticContact CD2-CG 3.92Å; F209-Y237 HydrophobicContact CD2-CG 3.92Å; F209-Y237 HydrophobicContact CE2-CD2 4.41Å; F209-Y237 HydrophobicContact CG-CD2 4.43Å; F209-Y237 HydrophobicContact CG-CG 4.45Å; V228-Y237 WeakPolarHBondContact CA-O 3.16Å; C229-Y237 PolarHBondContact N-O 2.95Å; C229-Y237 VanDerWaalsContact N-O 3.09Å; C229-Y237 PolarHBondContact O-N 2.87Å; Y237-W239 HydrophobicContact CD1-CH2 4.26Å; Y237-W239 HydrophobicContact CD1-CZ2 4.09Å; Y237-W239 AromaticContact CG-CH2 3.89Å; Y237-W239 HydrophobicContact CG-CH2 3.89Å; Y237-W239 HydrophobicContact CG-CZ2 4.2Å; Y237-L246 HydrophobicContact CD1-CD1 3.69Å; Y237-L246 HydrophobicContact CD1-CD2 4.12Å; Y237-L246 HydrophobicContact CE1-CD2 4.37Å; Y237-L246 HydrophobicContact CG-CD1 4.37Å; Y237-T249 HydrophobicContact CD1-CG2 4.14Å; Y237-T249 WeakPolarHBondContact CD1-OG1 3.47Å; Y237-T249 HydrophobicContact CD2-CG2 4.13Å; Y237-T249 HydrophobicContact CE1-CG2 3.86Å; Y237-T249 WeakPolarHBondContact CE1-OG1 3.28Å; Y237-T249 HydrophobicContact CE2-CG2 3.87Å; Y237-T249 HydrophobicContact CG-CG2 4.25Å
238F92.5Very high91.1Very high16 Ų1640.7 Ų40.77%0.0722%0.218CC..EExtended strand (participates in β ladder)trans-125.2119.9-179-65.5-102.9000109.7C227 V228 V236 L246 V247 Q248 L250 W265 V272C227-F238 WeakPolarHBondContact O-CA 3.44Å; V228-F238 HydrophobicContact CB-CD1 4.19Å; V228-F238 HydrophobicContact CB-CE1 4.13Å; V228-F238 HydrophobicContact CG2-CD1 3.95Å; V228-F238 HydrophobicContact CG2-CD2 4.38Å; V228-F238 HydrophobicContact CG2-CE1 3.62Å; V228-F238 HydrophobicContact CG2-CE2 4.06Å; V228-F238 HydrophobicContact CG2-CG 4.32Å; V228-F238 HydrophobicContact CG2-CZ 3.67Å; V236-F238 HydrophobicContact CB-CE2 4.02Å; V236-F238 HydrophobicContact CG1-CD2 4.33Å; V236-F238 HydrophobicContact CG1-CE2 3.53Å; V236-F238 HydrophobicContact CG1-CZ 3.9Å; F238-L246 WeakPolarHBondContact O-CD1 3.41Å; F238-V247 PolarHBondContact O-N 3.14Å; F238-Q248 HydrophobicContact CB-CB 4.31Å; F238-Q248 HydrophobicContact CD2-CB 4.41Å; F238-Q248 PolarHBondContact N-O 2.68Å; F238-Q248 PolarHBondContact O-N 2.86Å; F238-L250 HydrophobicContact CD2-CD1 4.49Å; F238-L250 HydrophobicContact CD2-CG 4.41Å; F238-L250 HydrophobicContact CE2-CD1 3.48Å; F238-L250 VanDerWaalsContact CE2-CD1 3.48Å; F238-L250 HydrophobicContact CE2-CG 3.77Å; F238-L250 HydrophobicContact CZ-CD1 3.85Å; F238-W265 AromaticContact CD1-CH2 3.87Å; F238-W265 HydrophobicContact CD1-CH2 3.87Å; F238-W265 AromaticContact CD1-CZ2 3.76Å; F238-W265 HydrophobicContact CD1-CZ2 3.76Å; F238-W265 AromaticContact CE1-CH2 3.56Å; F238-W265 HydrophobicContact CE1-CH2 3.56Å; F238-W265 AromaticContact CE1-CZ2 3.58Å; F238-W265 HydrophobicContact CE1-CZ2 3.58Å; F238-V272 HydrophobicContact CE1-CG2 3.78Å; F238-V272 HydrophobicContact CZ-CB 4.44Å; F238-V272 HydrophobicContact CZ-CG2 4.01Å
239W93.6Very high90.9Very high1 Ų143.3 Ų43.30%0.00423%0.234CC..EExtended strand (participates in β ladder)trans-111.7142.4174-61.5-100.5000110.6L190 Y204 D206 F209 Y226 C227 C229 Y237 K245 L246L190-W239 HydrophobicContact CD1-CE3 3.92Å; L190-W239 HydrophobicContact CD1-CH2 4.25Å; L190-W239 HydrophobicContact CD1-CZ3 3.6Å; Y204-W239 HydrophobicContact CD1-CB 3.66Å; Y204-W239 HydrophobicContact CD1-CG 4.04Å; Y204-W239 HydrophobicContact CE1-CB 4.33Å; Y204-W239 HydrophobicContact CG-CB 4.2Å; Y204-W239 HydrophobicContact CG-CG 4.23Å; D206-W239 HydrophobicContact CB-CZ2 4.45Å; F209-W239 HydrophobicContact CB-CH2 4.46Å; F209-W239 HydrophobicContact CB-CZ2 4.35Å; F209-W239 AromaticContact CD1-CH2 3.86Å; F209-W239 HydrophobicContact CD1-CH2 3.86Å; F209-W239 HydrophobicContact CD1-CZ2 4.12Å; F209-W239 AromaticContact CD2-CH2 3.8Å; F209-W239 HydrophobicContact CD2-CH2 3.8Å; F209-W239 HydrophobicContact CD2-CZ2 4.49Å; F209-W239 AromaticContact CE1-CH2 3.98Å; F209-W239 HydrophobicContact CE1-CH2 3.98Å; F209-W239 AromaticContact CE2-CH2 3.94Å; F209-W239 HydrophobicContact CE2-CH2 3.94Å; F209-W239 AromaticContact CG-CH2 3.77Å; F209-W239 HydrophobicContact CG-CH2 3.77Å; F209-W239 HydrophobicContact CG-CZ2 4.07Å; F209-W239 HydrophobicContact CZ-CH2 4.03Å; Y226-W239 CarbonylContact C-O 3.56Å; Y226-W239 WeakPolarHBondContact CA-O 3.45Å; C227-W239 PolarHBondContact N-O 2.97Å; C227-W239 PolarHBondContact O-N 2.94Å; C229-W239 HydrophobicContact CB-CZ3 4.25Å; Y237-W239 HydrophobicContact CD1-CH2 4.26Å; Y237-W239 HydrophobicContact CD1-CZ2 4.09Å; Y237-W239 AromaticContact CG-CH2 3.89Å; Y237-W239 HydrophobicContact CG-CH2 3.89Å; Y237-W239 HydrophobicContact CG-CZ2 4.2Å; W239-K245 CarbonylContact C-O 3.57Å; W239-K245 VanDerWaalsContact CA-O 3.28Å; W239-K245 WeakPolarHBondContact CA-O 3.2Å; W239-L246 HydrophobicContact CD2-CD1 4.09Å; W239-L246 HydrophobicContact CG-CD1 4.29Å; W239-L246 HydrophobicContact CZ2-CD1 4.21Å
240E90.4Very high90.3Very high73 Ų7344.2 Ų44.234%0.34124%0.239SC..EExtended strand (participates in β ladder)trans-78125.2168.3-177.6-176.7-128.800109.1R225 Y226 Q242 S243 G244 K245 V247R225-E240 WeakPolarHBondContact O-CA 3.26Å; Y226-E240 HydrophobicContact CD1-CB 4.23Å; Y226-E240 HydrophobicContact CE1-CB 4.21Å; Y226-E240 HydrophobicContact CE1-CG 4.47Å; E240-Q242 PolarHBondContact O-N 3.27Å; E240-S243 WeakPolarHBondContact OE2-CB 3.44Å; E240-S243 PolarHBondContact OE2-OG 2.85Å; E240-G244 VanDerWaalsContact O-CA 3.25Å; E240-G244 WeakPolarHBondContact O-CA 3.43Å; E240-G244 PolarHBondContact O-N 3.33Å; E240-K245 PolarHBondContact N-O 3.34Å; E240-V247 HydrophobicContact CB-CG2 3.62Å
241I88.4Confident89.7Confident23 Ų2346.2 Ų46.212%0.11825%0.252CS..THydrogen-bonded Turntrans-64.6-43.9-170.3-70.3163.4000111.7Y204 F220 D224 R225 Y226 C227Y204-I241 WeakPolarHBondContact OH-CA 3.39Å; Y204-I241 PolarHBondContact OH-O 2.8Å; F220-I241 HydrophobicContact CD1-CD1 3.33Å; F220-I241 HydrophobicContact CD1-CG1 4.07Å; F220-I241 HydrophobicContact CE1-CD1 3.52Å; F220-I241 HydrophobicContact CE1-CG1 3.89Å; F220-I241 HydrophobicContact CG-CD1 4.37Å; D224-I241 VanDerWaalsContact C-CD1 3.47Å; D224-I241 VanDerWaalsContact O-CD1 3.28Å; D224-I241 WeakPolarHBondContact O-CD1 3.21Å; R225-I241 PolarHBondContact O-N 2.78Å; Y226-I241 WeakPolarHBondContact O-CD1 3.4Å; C227-I241 HydrophobicContact CB-CG1 4.35Å
242Q87.4Confident88.4Confident160 Ų16049.2 Ų49.275%0.74827%0.269SS*.THydrogen-bonded Turntrans-69.3-49.8-175.2-66.3-1741.300112.1K202 E240K202-Q242 WeakPolarHBondContact CE-O 3.48Å; K202-Q242 PolarHBondContact NZ-O 2.87Å; E240-Q242 PolarHBondContact O-N 3.27Å
243S89Confident86.3Confident47 Ų4753.1 Ų53.133%0.32929%0.289SS..THydrogen-bonded Turntrans-78.5-28.3-178.972.10000112.5E240 K245E240-S243 WeakPolarHBondContact OE2-CB 3.44Å; E240-S243 PolarHBondContact OE2-OG 2.85Å; S243-K245 WeakPolarHBondContact OG-CB 3.43Å; S243-K245 PolarHBondContact OG-N 3Å; S243-K245 VanDerWaalsContact OG-N 3.14Å
244G90.9Very high84.2Confident21 Ų2158.3 Ų58.322%0.21631%0.311CS..  trans783.3-170.900000113.8E240E240-G244 VanDerWaalsContact O-CA 3.25Å; E240-G244 WeakPolarHBondContact O-CA 3.43Å; E240-G244 PolarHBondContact O-N 3.33Å
245K92.1Very high82.2Confident148 Ų14861.2 Ų61.264%0.64334%0.341SS*.  trans-79.9142.4-175.9-66.3-178.7178.4-179.80111W239 E240 S243 V247W239-K245 CarbonylContact C-O 3.57Å; W239-K245 VanDerWaalsContact CA-O 3.28Å; W239-K245 WeakPolarHBondContact CA-O 3.2Å; E240-K245 PolarHBondContact N-O 3.34Å; S243-K245 WeakPolarHBondContact OG-CB 3.43Å; S243-K245 PolarHBondContact OG-N 3Å; S243-K245 VanDerWaalsContact OG-N 3.14Å; K245-V247 PolarHBondContact O-N 3.45Å
246L92.5Very high80.7Confident60 Ų6064.3 Ų64.331%0.31437%0.374SS..EExtended strand (participates in β ladder)trans-66.2123.3164.8-177.969000108.5D206 Y237 F238 W239D206-L246 HydrophobicContact CB-CD2 4.33Å; Y237-L246 HydrophobicContact CD1-CD1 3.69Å; Y237-L246 HydrophobicContact CD1-CD2 4.12Å; Y237-L246 HydrophobicContact CE1-CD2 4.37Å; Y237-L246 HydrophobicContact CG-CD1 4.37Å; F238-L246 WeakPolarHBondContact O-CD1 3.41Å; W239-L246 HydrophobicContact CD2-CD1 4.09Å; W239-L246 HydrophobicContact CG-CD1 4.29Å; W239-L246 HydrophobicContact CZ2-CD1 4.21Å
247V87.6Confident79.7Confident77 Ų7765.7 Ų65.747%0.46739%0.388SS..EExtended strand (participates in β ladder)trans-96.4-43-178.4178.70000110.2Y226 F238 E240 K245Y226-V247 HydrophobicContact CD1-CG2 4.23Å; Y226-V247 HydrophobicContact CE1-CG1 4.33Å; Y226-V247 HydrophobicContact CE1-CG2 3.98Å; F238-V247 PolarHBondContact O-N 3.14Å; E240-V247 HydrophobicContact CB-CG2 3.62Å; K245-V247 PolarHBondContact O-N 3.45Å
248Q86.4Confident79.3Confident95 Ų9566.2 Ų66.244%0.44439%0.393SS..EExtended strand (participates in β ladder)trans-155.5145.5-173.3-166.216812.600111.8F238 L250F238-Q248 HydrophobicContact CB-CB 4.31Å; F238-Q248 HydrophobicContact CD2-CB 4.41Å; F238-Q248 PolarHBondContact N-O 2.68Å; F238-Q248 PolarHBondContact O-N 2.86Å; Q248-L250 HydrophobicContact CG-CD2 3.92Å; Q248-L250 HydrophobicContact CG-CG 4.42Å; Q248-L250 VanDerWaalsContact NE2-CD2 3.33Å
249T88.5Confident79.2Confident55 Ų5566.1 Ų66.134%0.33739%0.394SS..EExtended strand (participates in β ladder)trans-122.7123.2167-56.20000108.5V236 Y237V236-T249 CarbonylContact O-C 3.55Å; V236-T249 WeakPolarHBondContact O-CA 3.48Å; Y237-T249 HydrophobicContact CD1-CG2 4.14Å; Y237-T249 WeakPolarHBondContact CD1-OG1 3.47Å; Y237-T249 HydrophobicContact CD2-CG2 4.13Å; Y237-T249 HydrophobicContact CE1-CG2 3.86Å; Y237-T249 WeakPolarHBondContact CE1-OG1 3.28Å; Y237-T249 HydrophobicContact CE2-CG2 3.87Å; Y237-T249 HydrophobicContact CG-CG2 4.25Å
250L84.7Confident79Confident20 Ų2066.4 Ų66.411%0.10540%0.396CS..EExtended strand (participates in β ladder)trans-101.9121.2175.5-56.5179.1000108.7S235 V236 F238 Q248 W284S235-L250 CarbonylContact C-O 3.59Å; S235-L250 VanDerWaalsContact CA-O 3.24Å; S235-L250 WeakPolarHBondContact CA-O 3.3Å; V236-L250 HydrophobicContact CB-CB 4.23Å; V236-L250 PolarHBondContact N-O 3.36Å; V236-L250 PolarHBondContact O-N 2.83Å; F238-L250 HydrophobicContact CD2-CD1 4.49Å; F238-L250 HydrophobicContact CD2-CG 4.41Å; F238-L250 HydrophobicContact CE2-CD1 3.48Å; F238-L250 VanDerWaalsContact CE2-CD1 3.48Å; F238-L250 HydrophobicContact CE2-CG 3.77Å; F238-L250 HydrophobicContact CZ-CD1 3.85Å; Q248-L250 HydrophobicContact CG-CD2 3.92Å; Q248-L250 HydrophobicContact CG-CG 4.42Å; Q248-L250 VanDerWaalsContact NE2-CD2 3.33Å; L250-W284 HydrophobicContact CB-CD2 4.42Å; L250-W284 HydrophobicContact CB-CE3 3.72Å; L250-W284 HydrophobicContact CB-CH2 4.33Å; L250-W284 HydrophobicContact CB-CZ3 3.67Å; L250-W284 HydrophobicContact CD1-CB 3.81Å; L250-W284 HydrophobicContact CD1-CD2 3.92Å; L250-W284 HydrophobicContact CD1-CE3 3.59Å; L250-W284 HydrophobicContact CD1-CG 4.04Å; L250-W284 HydrophobicContact CD1-CZ3 4.41Å; L250-W284 HydrophobicContact CG-CE3 4.23Å
251S80.4Confident79.1Confident46 Ų4663.1 Ų63.132%0.32238%0.381SS..  trans-134.1141.9179.560.60000110.9S235 T253S235-S251 VanDerWaalsContact OG-CB 3.29Å; S235-S251 WeakPolarHBondContact OG-CB 3.33Å; S251-T253 PolarHBondContact O-N 3.1Å; S251-T253 WeakPolarHBondContact OG-CG2 3.28Å
252D66.7Low79.3Confident64 Ų6462.2 Ų62.234%0.34238%0.376SS..  trans-89.185.7168.5179.230.7000109.3Q254 R291D252-Q254 PolarHBondContact O-N 2.9Å; D252-R291 IonicContact OD1-CZ 3.35Å; D252-R291 IonicContact OD1-NH1 2.75Å; D252-R291 PolarHBondContact OD1-NH1 2.94Å; D252-R291 IonicContact OD1-NH2 2.66Å; D252-R291 PolarHBondContact OD1-NH2 3.33Å; D252-R291 IonicContact OD2-CZ 3Å; D252-R291 IonicContact OD2-NH1 3.05Å; D252-R291 IonicContact OD2-NH2 3.75Å; D252-R291 PolarHBondContact OD2-NH2 3.32Å
253T48.8Very low79.5Confident119 Ų11954.6 Ų54.673%0.7334%0.341SS*.THydrogen-bonded Turntrans-67.20.9-168.3460000116.1S251S251-T253 PolarHBondContact O-N 3.1Å; S251-T253 WeakPolarHBondContact OG-CG2 3.28Å
254Q46.5Very low79.5Confident175 Ų17553.2 Ų53.282%0.81833%0.331SS*.THydrogen-bonded Turntrans-92.4-1.8-169.5-67.7-163.9-3.600116.9D252D252-Q254 PolarHBondContact O-N 2.9Å
255G45.4Very low79.3Confident71 Ų7153.6 Ų53.673%0.73233%0.326SS*.SBendtrans-164.111-178.600000119.4
256G58.4Low78.8Confident72 Ų7246.7 Ų46.774%0.74230%0.296SS*.  trans76.8109.6-167.600000109.8
257G70.6Confident78Confident29 Ų2945.8 Ų45.830%0.29930%0.297SS..PPolyproline II helixtrans-73.5151.7-175.200000112D233D233-G257 CarbonylContact C-O 3.57Å; D233-G257 CarbonylContact O-C 3.55Å; D233-G257 WeakPolarHBondContact O-CA 3.16Å; D233-G257 PolarHBondContact O-N 3.3Å; D233-G257 VanDerWaalsContact O-N 3.11Å
258S83.8Confident77.1Confident19 Ų1946.4 Ų46.413%0.13330%0.295CS..PPolyproline II helixtrans-79.3138.1172.2-164.20000109.9G234 I260 R277 H278G234-S258 WeakPolarHBondContact CA-O 3.37Å; S258-I260 PolarHBondContact O-N 3.15Å; S258-I260 VanDerWaalsContact O-N 3.13Å; S258-R277 WeakPolarHBondContact OG-CB 2.8Å; S258-R277 PolarHBondContact OG-N 3.36Å; S258-H278 WeakPolarHBondContact CB-CD2 3.48Å; S258-H278 PolarHBondContact OG-CD2 2.9Å
259C90.3Very high76.6Confident14 Ų1443 Ų4310%0.09529%0.286CS..PPolyproline II helixtrans-48.8122.8178.2177.40000111.6Y213 A232 D276 R277Y213-C259 HydrophobicContact CD2-CB 4.35Å; Y213-C259 WeakPolarHBondContact CD2-SG 3.35Å; Y213-C259 HydrophobicContact CE2-CB 3.82Å; Y213-C259 WeakPolarHBondContact CE2-SG 3.49Å; A232-C259 VanDerWaalsContact O-CA 3.3Å; A232-C259 WeakPolarHBondContact O-CA 3.08Å; A232-C259 WeakPolarHBondContact O-CB 3.35Å; A232-C259 PolarHBondContact O-N 2.9Å; C259-D276 CarbonylContact O-C 3.57Å; C259-D276 WeakPolarHBondContact O-CA 3.23Å; C259-R277 PolarHBondContact O-N 3.37Å
260I90.7Very high75.8Confident7 Ų744.2 Ų44.24%0.03629%0.293CS..PPolyproline II helixtrans-76.8132176.6-64.8176.3000108.8S231 G234 V236 S258 A262 T274S231-I260 PolarHBondContact O-N 3.49Å; G234-I260 WeakPolarHBondContact O-CD1 3.45Å; V236-I260 HydrophobicContact CG2-CD1 3.4Å; S258-I260 PolarHBondContact O-N 3.15Å; S258-I260 VanDerWaalsContact O-N 3.13Å; I260-A262 WeakPolarHBondContact CG2-O 3.24Å; I260-T274 HydrophobicContact CG2-CG2 4.41Å
261T91.5Very high75.7Confident4 Ų443.9 Ų43.93%0.02529%0.291CS..  trans-105-24.7-175.661.80000112.9M1 Y213 F215 A216 R217 C275M1-T261 PolarHBondContact N-OG1 3.41Å; M1-T261 PolarHBondContact O-OG1 3.42Å; Y213-T261 HydrophobicContact CD2-CG2 3.96Å; Y213-T261 HydrophobicContact CE2-CG2 4.32Å; F215-T261 HydrophobicContact CE2-CG2 3.85Å; A216-T261 VanDerWaalsContact CA-O 3.27Å; A216-T261 WeakPolarHBondContact CA-O 3.24Å; R217-T261 PolarHBondContact N-O 3.4Å; R217-T261 VanDerWaalsContact N-O 3.11Å; T261-C275 PolarHBondContact N-O 3.03Å; T261-C275 PolarHBondContact OG1-O 3.45Å; T261-C275 VanDerWaalsContact OG1-O 3.07Å
262A92.5Very high75.9Confident3 Ų341.9 Ų41.93%0.02528%0.277CS..EExtended strand (participates in β ladder)trans-153.1148.6171.800000111L3 R217 I260 T274 C275L3-A262 HydrophobicContact CD2-CB 4.32Å; L3-A262 HydrophobicContact CG-CB 4.04Å; R217-A262 HydrophobicContact CB-CB 3.86Å; R217-A262 HydrophobicContact CG-CB 3.85Å; I260-A262 WeakPolarHBondContact CG2-O 3.24Å; A262-T274 CarbonylContact O-C 3.53Å; A262-T274 VanDerWaalsContact O-CA 3.22Å; A262-T274 WeakPolarHBondContact O-CA 3.44Å; A262-C275 PolarHBondContact N-O 3.04Å; A262-C275 PolarHBondContact O-N 3.46Å
263S91.4Very high77Confident1 Ų138.8 Ų38.81%0.00726%0.26CS..EExtended strand (participates in β ladder)trans-128146.316844.30000109.7R217 R219 V228 A273R217-S263 PolarHBondContact O-N 3.32Å; R217-S263 PolarHBondContact O-OG 2.59Å; R219-S263 WeakPolarHBondContact CG-O 3.18Å; V228-S263 PolarHBondContact O-OG 3.14Å; S263-A273 CarbonylContact C-O 3.45Å; S263-A273 VanDerWaalsContact CA-O 3.27Å; S263-A273 WeakPolarHBondContact CA-O 3.27Å
264S90.6Very high78.9Confident17 Ų1733.3 Ų33.312%0.11923%0.226CC..EExtended strand (participates in β ladder)trans-156.4145.2173.2-167.60000111.4W5 V272 A273W5-S264 PolarHBondContact NE1-O 2.63Å; S264-V272 CarbonylContact O-C 3.49Å; S264-V272 WeakPolarHBondContact O-CA 3.49Å; S264-A273 PolarHBondContact N-O 2.53Å; S264-A273 PolarHBondContact O-N 3.14Å
265W86.7Confident80.8Confident30 Ų3025 Ų2511%0.11419%0.188CC..EExtended strand (participates in β ladder)trans-84.9147.9174.4-61.386.3000111.2W5 F220 P222 V228 F238 G269 I271 V272W5-W265 VanDerWaalsContact CG-O 3.3Å; F220-W265 PolarHBondContact O-NE1 3.33Å; P222-W265 HydrophobicContact CG-CB 4.12Å; V228-W265 HydrophobicContact CB-CZ2 4.11Å; V228-W265 HydrophobicContact CG1-CZ2 4.37Å; F238-W265 AromaticContact CD1-CH2 3.87Å; F238-W265 HydrophobicContact CD1-CH2 3.87Å; F238-W265 AromaticContact CD1-CZ2 3.76Å; F238-W265 HydrophobicContact CD1-CZ2 3.76Å; F238-W265 AromaticContact CE1-CH2 3.56Å; F238-W265 HydrophobicContact CE1-CH2 3.56Å; F238-W265 AromaticContact CE1-CZ2 3.58Å; F238-W265 HydrophobicContact CE1-CZ2 3.58Å; W265-G269 WeakPolarHBondContact CZ3-O 3.43Å; W265-I271 WeakPolarHBondContact CA-O 3.49Å; W265-V272 HydrophobicContact CD2-CG2 3.49Å; W265-V272 VanDerWaalsContact CD2-CG2 3.49Å; W265-V272 HydrophobicContact CE3-CG2 3.43Å; W265-V272 VanDerWaalsContact CE3-CG2 3.43Å; W265-V272 HydrophobicContact CG-CG2 4.21Å; W265-V272 HydrophobicContact CH2-CG2 3.76Å; W265-V272 HydrophobicContact CZ2-CG2 3.8Å; W265-V272 HydrophobicContact CZ3-CG2 3.57Å
266N81.6Confident82.6Confident3 Ų322.8 Ų22.82%0.01616%0.159CC..  trans-69.7163.8160.168.6-22.2000110.6W5 P222 Q268 G269 T270 I271W5-N266 HydrophobicContact CD2-CB 3.66Å; W5-N266 HydrophobicContact CE3-CB 3.61Å; W5-N266 HydrophobicContact CG-CB 4.26Å; W5-N266 HydrophobicContact CH2-CB 3.97Å; W5-N266 HydrophobicContact CZ2-CB 4.01Å; W5-N266 HydrophobicContact CZ3-CB 3.77Å; P222-N266 VanDerWaalsContact CG-O 3.28Å; P222-N266 WeakPolarHBondContact CG-O 3.26Å; N266-Q268 VanDerWaalsContact CG-OE1 3.31Å; N266-Q268 PolarHBondContact ND2-OE1 2.97Å; N266-Q268 PolarHBondContact O-N 3.35Å; N266-Q268 VanDerWaalsContact O-N 3.14Å; N266-G269 PolarHBondContact O-N 3.02Å; N266-G269 PolarHBondContact OD1-N 3.42Å; N266-T270 PolarHBondContact ND2-OG1 2.96Å; N266-T270 PolarHBondContact OD1-N 2.94Å; N266-I271 HydrophobicContact CB-CB 4.41Å; N266-I271 PolarHBondContact N-O 2.68Å; N266-I271 PolarHBondContact OD1-N 3.14Å; N266-I271 PolarHBondContact OD1-O 2.87Å
267A75Confident83.4Confident40 Ų4027.4 Ų27.433%0.33115%0.154SC..THydrogen-bonded Turntrans-55.9-33.6-176.400000113.7H7 P222 G269H7-A267 WeakPolarHBondContact O-CB 3.39Å; P222-A267 WeakPolarHBondContact CB-O 3Å; A267-G269 VanDerWaalsContact C-N 3.33Å
268Q69.4Low83.2Confident91 Ų9132.7 Ų32.743%0.42517%0.171SC..THydrogen-bonded Turntrans-83.4-5.6-179.3-49.787.4-11.500113.6D10 N266 T270D10-Q268 PolarHBondContact OD1-NE2 3.46Å; D10-Q268 PolarHBondContact OD1-OE1 3.16Å; N266-Q268 VanDerWaalsContact CG-OE1 3.31Å; N266-Q268 PolarHBondContact ND2-OE1 2.97Å; N266-Q268 PolarHBondContact O-N 3.35Å; N266-Q268 VanDerWaalsContact O-N 3.14Å; Q268-T270 VanDerWaalsContact C-N 3.26Å; Q268-T270 HydrophobicContact CB-CG2 4.24Å; Q268-T270 PolarHBondContact O-N 2.86Å
269G74.2Confident82.4Confident24 Ų2438.6 Ų38.625%0.24719%0.194CC..SBendtrans70.117.8-179.200000114.7W265 N266 A267W265-G269 WeakPolarHBondContact CZ3-O 3.43Å; N266-G269 PolarHBondContact O-N 3.02Å; N266-G269 PolarHBondContact OD1-N 3.42Å; A267-G269 VanDerWaalsContact C-N 3.33Å
270T73.7Confident81.6Confident80 Ų8041 Ų4149%0.49121%0.21SC..SBendtrans-99.6-20.9-174.752.30000113.8N266 Q268N266-T270 PolarHBondContact ND2-OG1 2.96Å; N266-T270 PolarHBondContact OD1-N 2.94Å; Q268-T270 VanDerWaalsContact C-N 3.26Å; Q268-T270 HydrophobicContact CB-CG2 4.24Å; Q268-T270 PolarHBondContact O-N 2.86Å
271I80.9Confident81.1Confident13 Ų1343.1 Ų43.17%0.06722%0.223CC..EExtended strand (participates in β ladder)trans-131.4128.7-176.8-55.2172.5000108.7W5 I26 W265 N266 L283 W284W5-I271 HydrophobicContact CH2-CB 4.47Å; W5-I271 HydrophobicContact CH2-CG2 4.21Å; W5-I271 HydrophobicContact CZ2-CB 4.35Å; W5-I271 HydrophobicContact CZ2-CG2 3.93Å; I26-I271 HydrophobicContact CG2-CD1 4.43Å; W265-I271 WeakPolarHBondContact CA-O 3.49Å; N266-I271 HydrophobicContact CB-CB 4.41Å; N266-I271 PolarHBondContact N-O 2.68Å; N266-I271 PolarHBondContact OD1-N 3.14Å; N266-I271 PolarHBondContact OD1-O 2.87Å; I271-L283 HydrophobicContact CG2-CB 4.08Å; I271-L283 HydrophobicContact CG2-CD2 4.09Å; I271-W284 CarbonylContact C-O 3.51Å; I271-W284 WeakPolarHBondContact CA-O 3.47Å
272V85.4Confident80.7Confident3 Ų345.2 Ų45.22%0.01824%0.238CC..EExtended strand (participates in β ladder)trans-99.8127.8164.8178.20000108.9V228 F238 S264 W265 T274 L283 W284V228-V272 HydrophobicContact CG1-CG1 4.48Å; V228-V272 HydrophobicContact CG2-CG1 4.24Å; F238-V272 HydrophobicContact CE1-CG2 3.78Å; F238-V272 HydrophobicContact CZ-CB 4.44Å; F238-V272 HydrophobicContact CZ-CG2 4.01Å; S264-V272 CarbonylContact O-C 3.49Å; S264-V272 WeakPolarHBondContact O-CA 3.49Å; W265-V272 HydrophobicContact CD2-CG2 3.49Å; W265-V272 VanDerWaalsContact CD2-CG2 3.49Å; W265-V272 HydrophobicContact CE3-CG2 3.43Å; W265-V272 VanDerWaalsContact CE3-CG2 3.43Å; W265-V272 HydrophobicContact CG-CG2 4.21Å; W265-V272 HydrophobicContact CH2-CG2 3.76Å; W265-V272 HydrophobicContact CZ2-CG2 3.8Å; W265-V272 HydrophobicContact CZ3-CG2 3.57Å; V272-T274 HydrophobicContact CG1-CG2 3.94Å; V272-L283 CarbonylContact O-C 3.57Å; V272-L283 WeakPolarHBondContact O-CA 3.3Å; V272-W284 HydrophobicContact CB-CB 4.33Å; V272-W284 PolarHBondContact N-O 3.26Å; V272-W284 VanDerWaalsContact O-CD1 3.29Å; V272-W284 PolarHBondContact O-N 3.11Å
273A88.8Confident80.2Confident0 Ų047.4 Ų47.40%025%0.25CC..EExtended strand (participates in β ladder)trans-95.2134.4165.300000109.4L3 W5 L12 S263 S264 S282 L283L3-A273 HydrophobicContact CD1-CB 4.43Å; L3-A273 HydrophobicContact CD2-CB 4.2Å; W5-A273 HydrophobicContact CZ2-CB 3.94Å; L12-A273 HydrophobicContact CD1-CB 3.99Å; L12-A273 HydrophobicContact CD2-CB 3.86Å; S263-A273 CarbonylContact C-O 3.45Å; S263-A273 VanDerWaalsContact CA-O 3.27Å; S263-A273 WeakPolarHBondContact CA-O 3.27Å; S264-A273 PolarHBondContact N-O 2.53Å; S264-A273 PolarHBondContact O-N 3.14Å; A273-S282 CarbonylContact C-O 3.58Å; A273-S282 WeakPolarHBondContact CA-O 3.47Å; A273-L283 HydrophobicContact CB-CD2 3.69Å
274T88.9Confident79.6Confident3 Ų348.5 Ų48.52%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-125.1152.4170.167.90000111V236 I260 A262 V272 V281 S282 W284V236-T274 HydrophobicContact CG1-CG2 4.21Å; V236-T274 HydrophobicContact CG2-CG2 3.76Å; I260-T274 HydrophobicContact CG2-CG2 4.41Å; A262-T274 CarbonylContact O-C 3.53Å; A262-T274 VanDerWaalsContact O-CA 3.22Å; A262-T274 WeakPolarHBondContact O-CA 3.44Å; V272-T274 HydrophobicContact CG1-CG2 3.94Å; T274-V281 CarbonylContact O-C 3.56Å; T274-V281 WeakPolarHBondContact O-CA 3.34Å; T274-S282 PolarHBondContact N-O 2.82Å; T274-S282 PolarHBondContact O-N 2.89Å; T274-W284 PolarHBondContact OG1-NE1 3.26Å
275C87.7Confident78.6Confident1 Ų150.1 Ų50.11%0.00726%0.264CS..EExtended strand (participates in β ladder)trans-133.5138.317368.40000112.1M1 L3 T261 A262 C280 V281M1-C275 HydrophobicContact CB-CB 4.05Å; M1-C275 WeakPolarHBondContact CB-SG 3.48Å; M1-C275 HydrophobicContact CE-CB 3.76Å; M1-C275 HydrophobicContact SD-CB 4.46Å; L3-C275 HydrophobicContact CD2-CB 3.84Å; T261-C275 PolarHBondContact N-O 3.03Å; T261-C275 PolarHBondContact OG1-O 3.45Å; T261-C275 VanDerWaalsContact OG1-O 3.07Å; A262-C275 PolarHBondContact N-O 3.04Å; A262-C275 PolarHBondContact O-N 3.46Å; C275-C280 VanDerWaalsContact CA-O 3.26Å; C275-C280 WeakPolarHBondContact CA-O 3.42Å; C275-V281 HydrophobicContact CB-CG2 3.97Å
276D83Confident77.1Confident24 Ų2455.7 Ų55.713%0.12830%0.296CS..  trans-102.6-161.3-172.672.111.1000113.6M1 C259 H278 K279 C280M1-D276 WeakPolarHBondContact CE-O 3.39Å; C259-D276 CarbonylContact O-C 3.57Å; C259-D276 WeakPolarHBondContact O-CA 3.23Å; D276-H278 WeakPolarHBondContact OD1-CA 3.45Å; D276-H278 PolarHBondContact OD1-N 3.36Å; D276-K279 PolarHBondContact OD1-N 2.91Å; D276-K279 VanDerWaalsContact OD1-N 3.1Å; D276-C280 PolarHBondContact N-O 2.96Å; D276-C280 PolarHBondContact OD1-N 3Å; D276-C280 WeakPolarHBondContact OD2-CB 3.38Å
277R74.5Confident75Confident169 Ų16966.4 Ų66.464%0.63834%0.336SS*.SBendtrans-88.4-25.1173.5-168.6-171.9178.5-176.6-5.7112.8Y213 S258 C259 K279Y213-R277 VanDerWaalsContact OH-CD 3.3Å; Y213-R277 WeakPolarHBondContact OH-CD 3.26Å; Y213-R277 PolarHBondContact OH-NE 3.09Å; Y213-R277 PolarHBondContact OH-NH1 2.92Å; S258-R277 WeakPolarHBondContact OG-CB 2.8Å; S258-R277 PolarHBondContact OG-N 3.36Å; C259-R277 PolarHBondContact O-N 3.37Å; R277-K279 PolarHBondContact O-N 2.81Å
278H67.5Low72.8Confident141 Ų14169.6 Ų69.665%0.65335%0.346SS*.SBendtrans-82.714.5-177.4-70.3-49.1000114.5S258 D276 C280S258-H278 WeakPolarHBondContact CB-CD2 3.48Å; S258-H278 PolarHBondContact OG-CD2 2.9Å; D276-H278 WeakPolarHBondContact OD1-CA 3.45Å; D276-H278 PolarHBondContact OD1-N 3.36Å; H278-C280 VanDerWaalsContact C-N 3.29Å
279K65.7Low71.1Confident142 Ų14270.2 Ų70.262%0.61735%0.351SS*.SBendtrans73.620.5177.6-49.6175.9-175.7174.50113.1M1 D276 R277M1-K279 VanDerWaalsContact SD-CA 3.58Å; M1-K279 HydrophobicContact SD-CB 4.33Å; D276-K279 PolarHBondContact OD1-N 2.91Å; D276-K279 VanDerWaalsContact OD1-N 3.1Å; R277-K279 PolarHBondContact O-N 2.81Å
280C73.4Confident68.8Low64 Ų6475.1 Ų75.143%0.43236%0.362SS..  trans-95.8137.3175.9-64.10000110.6M1 C275 D276 H278M1-C280 WeakPolarHBondContact CE-O 3.16Å; C275-C280 VanDerWaalsContact CA-O 3.26Å; C275-C280 WeakPolarHBondContact CA-O 3.42Å; D276-C280 PolarHBondContact N-O 2.96Å; D276-C280 PolarHBondContact OD1-N 3Å; D276-C280 WeakPolarHBondContact OD2-CB 3.38Å; H278-C280 VanDerWaalsContact C-N 3.29Å
281V80.9Confident66.5Low52 Ų5278.9 Ų78.932%0.31537%0.367SS..EExtended strand (participates in β ladder)trans-111.2125.4167.5179.60000106.5L12 T14 T274 C275L12-V281 HydrophobicContact CD2-CG1 4.07Å; T14-V281 HydrophobicContact CG2-CG1 4.31Å; T14-V281 HydrophobicContact CG2-CG2 3.93Å; T274-V281 CarbonylContact O-C 3.56Å; T274-V281 WeakPolarHBondContact O-CA 3.34Å; C275-V281 HydrophobicContact CB-CG2 3.97Å
282S83.3Confident64Low48 Ų4884 Ų8434%0.33639%0.387SS..EExtended strand (participates in β ladder)trans-113.6142.8179.7-60.30000109.8A273 T274A273-S282 CarbonylContact C-O 3.58Å; A273-S282 WeakPolarHBondContact CA-O 3.47Å; T274-S282 PolarHBondContact N-O 2.82Å; T274-S282 PolarHBondContact O-N 2.89Å
283L82.4Confident61Low50 Ų5095.3 Ų95.326%0.26243%0.429SS..EExtended strand (participates in β ladder)trans-111.5132175.1-59177.2000109.1W5 L12 I26 I271 V272 A273W5-L283 HydrophobicContact CH2-CD2 4.49Å; W5-L283 HydrophobicContact CZ2-CD2 4.05Å; L12-L283 HydrophobicContact CD2-CD2 4.08Å; I26-L283 HydrophobicContact CD1-CD1 4.17Å; I26-L283 HydrophobicContact CG1-CD1 4.48Å; I26-L283 HydrophobicContact CG2-CD1 3.56Å; I271-L283 HydrophobicContact CG2-CB 4.08Å; I271-L283 HydrophobicContact CG2-CD2 4.09Å; V272-L283 CarbonylContact O-C 3.57Å; V272-L283 WeakPolarHBondContact O-CA 3.3Å; A273-L283 HydrophobicContact CB-CD2 3.69Å
284W77.2Confident57.8Low24 Ų24101.1 Ų101.19%0.09147%0.465CS..EExtended strand (participates in β ladder)trans-122.2130.3-176.5-47.785.3000109.3V236 L250 I271 V272 T274 I289V236-W284 HydrophobicContact CG2-CH2 4.5Å; V236-W284 HydrophobicContact CG2-CZ2 3.81Å; L250-W284 HydrophobicContact CB-CD2 4.42Å; L250-W284 HydrophobicContact CB-CE3 3.72Å; L250-W284 HydrophobicContact CB-CH2 4.33Å; L250-W284 HydrophobicContact CB-CZ3 3.67Å; L250-W284 HydrophobicContact CD1-CB 3.81Å; L250-W284 HydrophobicContact CD1-CD2 3.92Å; L250-W284 HydrophobicContact CD1-CE3 3.59Å; L250-W284 HydrophobicContact CD1-CG 4.04Å; L250-W284 HydrophobicContact CD1-CZ3 4.41Å; L250-W284 HydrophobicContact CG-CE3 4.23Å; I271-W284 CarbonylContact C-O 3.51Å; I271-W284 WeakPolarHBondContact CA-O 3.47Å; V272-W284 HydrophobicContact CB-CB 4.33Å; V272-W284 PolarHBondContact N-O 3.26Å; V272-W284 VanDerWaalsContact O-CD1 3.29Å; V272-W284 PolarHBondContact O-N 3.11Å; T274-W284 PolarHBondContact OG1-NE1 3.26Å; W284-I289 HydrophobicContact CE3-CG1 4.48Å
285C70Confident54.7Low51 Ų51109.2 Ų109.235%0.34550%0.502SS..EExtended strand (participates in β ladder)trans-138.7151.4178.663.40000112R287 M288C285-R287 PolarHBondContact O-N 3.31Å; C285-M288 PolarHBondContact O-N 2.9Å
286D56.3Low51.8Low146 Ų146116 Ų11678%0.78154%0.544SS*.THydrogen-bonded Turntrans-53.8-27.9-166.8-171.436000115.2
287R36.4Very low49Very low228 Ų228119.3 Ų119.386%0.8658%0.575SS**THydrogen-bonded Turntrans-102.1-12.8-172.4-76.7-168176.4-170.6-0.2117.8C285C285-R287 PolarHBondContact O-N 3.31Å
288M29.9Very low46.7Very low108 Ų108117.6 Ų117.653%0.53258%0.583SS.*  trans-173.7136.1171.6-82-157.4-160.900109.2C285 R290 Y292C285-M288 PolarHBondContact O-N 2.9Å; M288-R290 HydrophobicContact CB-CG 3.67Å; M288-R290 WeakPolarHBondContact O-CG 3.41Å; M288-R290 PolarHBondContact O-N 3.31Å; M288-Y292 PolarHBondContact SD-OH 3.26Å
289I32.5Very low44.9Very low104 Ų104120 Ų12053%0.53359%0.594SS.*  trans-61.493.3159-62.2170.2000106.7W284 R291W284-I289 HydrophobicContact CE3-CG1 4.48Å; I289-R291 PolarHBondContact O-N 3.47Å
290R27Very low43.1Very low126 Ų126119.4 Ų119.448%0.47560%0.597SS.*  trans-8885.4-169.5-82-134.8142.1171.94.2110.6M288 Y292M288-R290 HydrophobicContact CB-CG 3.67Å; M288-R290 WeakPolarHBondContact O-CG 3.41Å; M288-R290 PolarHBondContact O-N 3.31Å; R290-Y292 HydrophobicContact CB-CD2 3.74Å; R290-Y292 HydrophobicContact CB-CE2 3.3Å; R290-Y292 HydrophobicContact CG-CD2 4.21Å; R290-Y292 HydrophobicContact CG-CE2 3.34Å; R290-Y292 PolarHBondContact NE-OH 3.07Å; R290-Y292 VanDerWaalsContact NE-OH 3.12Å
291R25Very low40.9Very low159 Ų159126.4 Ų126.460%0.662%0.62SS**  trans-90.7112162.9-80.2179.3166.6165.7-4.9109.6D252 I289D252-R291 IonicContact OD1-CZ 3.35Å; D252-R291 IonicContact OD1-NH1 2.75Å; D252-R291 PolarHBondContact OD1-NH1 2.94Å; D252-R291 IonicContact OD1-NH2 2.66Å; D252-R291 PolarHBondContact OD1-NH2 3.33Å; D252-R291 IonicContact OD2-CZ 3Å; D252-R291 IonicContact OD2-NH1 3.05Å; D252-R291 IonicContact OD2-NH2 3.75Å; D252-R291 PolarHBondContact OD2-NH2 3.32Å; I289-R291 PolarHBondContact O-N 3.47Å
292Y28Very low38.5Very low122 Ų122126.2 Ų126.248%0.47862%0.622SS.*  trans-129.2119.8179.3-66.9-80.6000112.9M288 R290M288-Y292 PolarHBondContact SD-OH 3.26Å; R290-Y292 HydrophobicContact CB-CD2 3.74Å; R290-Y292 HydrophobicContact CB-CE2 3.3Å; R290-Y292 HydrophobicContact CG-CD2 4.21Å; R290-Y292 HydrophobicContact CG-CE2 3.34Å; R290-Y292 PolarHBondContact NE-OH 3.07Å; R290-Y292 VanDerWaalsContact NE-OH 3.12Å
293R21.7Very low36.1Very low239 Ų239134.6 Ų134.690%0.90265%0.646SS**  trans-70.9144.7143.1-96.5179.6173162.6-1.7108.3
294T22.9Very low33.8Very low123 Ų123141.1 Ų141.176%0.75567%0.673SS**SBendtrans-59.3152.2-176.250.80000112
295E23.9Very low32.5Very low172 Ų172142.9 Ų142.980%0.80469%0.688SS**  trans102.3124.4164.3-57-178178.200117.3
296T26.9Very low32.1Very low145 Ų145148.3 Ų148.389%0.8971%0.714SS**  trans85120.8164.459.20000120.3
297A24.5Very low32.9Very low93 Ų93142.7 Ų142.777%0.76968%0.682SS**SBendtrans114.440.9141.600000121.2
298V25.8Very low34.8Very low133 Ų133134.5 Ų134.581%0.80666%0.659SS**SBendtrans-129.510.7158.1-169.80000114.1
299Q29.4Very low37.3Very low191 Ų191131.8 Ų131.889%0.89365%0.651SS**SBendtrans-93.86.7178.9-111.8-175.10.700116.6
300L27.9Very low39.9Very low130 Ų130126.9 Ų126.968%0.68163%0.626SS**SBendtrans-1311.9-165.7-94.1162.3000121
301F26.7Very low42.6Very low210 Ų210124.3 Ų124.392%0.92162%0.621SS**SBendtrans-131.717-173.2-72.4-68.1000120.2
302S31.8Very low45.5Very low49 Ų49116.8 Ų116.834%0.34359%0.593SS.*SBendtrans-132.8-4.7174.358.90000116.9F304 P425S302-F304 PolarHBondContact O-N 2.88Å; S302-P425 WeakPolarHBondContact OG-CG 3.35Å
303R32.3Very low48.2Very low223 Ų223118.4 Ų118.484%0.84260%0.598SS**THydrogen-bonded Turntrans-73.1-2.3178.8-76.2-170.1177.7-174.6-1115.2
304F34.5Very low51.4Low188 Ų188107.1 Ų107.183%0.82556%0.556SS**THydrogen-bonded Turntrans-116.15.5-169.9-68.6-68.2000116.5S302S302-F304 PolarHBondContact O-N 2.88Å
305S48.8Very low54.2Low60 Ų60102.6 Ų102.642%0.4253%0.534SS..PPolyproline II helixtrans-92.9117.2169.558.90000110.5K307 N426S305-K307 PolarHBondContact O-N 3.18Å; S305-N426 PolarHBondContact OG-ND2 2.85Å; S305-N426 PolarHBondContact OG-OD1 3.09Å
306N61.3Low57.1Low166 Ų16696.1 Ų96.189%0.88851%0.513SS*.PPolyproline II helixtrans-57.8123.3167.3-78.7-22.4000109
307K74.2Confident60Low27 Ų2789.5 Ų89.512%0.11747%0.472CS..PPolyproline II helixtrans-64.4139.5174.1-71.5-178.5179.4-178.90109.6S305 P324 P425 F428 H465 S466 L467S305-K307 PolarHBondContact O-N 3.18Å; K307-P324 HydrophobicContact CB-CG 3.95Å; K307-P324 WeakPolarHBondContact O-CG 3.47Å; K307-P425 WeakPolarHBondContact CE-O 3.49Å; K307-P425 PolarHBondContact NZ-O 3.49Å; K307-F428 WeakPolarHBondContact CE-O 3.39Å; K307-F428 PolarHBondContact NZ-O 2.69Å; K307-H465 WeakPolarHBondContact CE-O 3.23Å; K307-H465 PolarHBondContact NZ-O 2.55Å; K307-S466 WeakPolarHBondContact CD-O 3.15Å; K307-L467 VanDerWaalsContact NZ-CD2 3.26Å
308P74.9Confident63Low57 Ų5785.5 Ų85.537%0.3744%0.437SS..PPolyproline II helixtrans-69.2157.4177.930-36000111
309S83.3Confident65.6Low51 Ų5186 Ų8636%0.35743%0.431SS..PPolyproline II helixtrans-69.6150.6172.2-57.40000111L322 K360S309-L322 CarbonylContact C-O 3.51Å; S309-L322 WeakPolarHBondContact CA-O 3.38Å; S309-L322 WeakPolarHBondContact CB-O 3.33Å; S309-K360 PolarHBondContact O-NZ 2.71Å
310L86Confident68.3Low1 Ų183.1 Ų83.11%0.00542%0.417CS..BIsolated β-bridgetrans-90.5116.5177.7-59.8-176.7000110.2V312 A321 L322 K360 L430 V468L310-V312 VanDerWaalsContact C-N 3.31Å; L310-V312 HydrophobicContact CB-CG2 4.15Å; L310-V312 PolarHBondContact O-N 3.04Å; L310-A321 CarbonylContact O-C 3.47Å; L310-A321 VanDerWaalsContact O-CA 3.31Å; L310-A321 WeakPolarHBondContact O-CA 3.46Å; L310-A321 WeakPolarHBondContact O-CB 3.43Å; L310-L322 HydrophobicContact CB-CB 4.32Å; L310-L322 PolarHBondContact N-O 3.37Å; L310-L322 PolarHBondContact O-N 2.98Å; L310-K360 HydrophobicContact CD2-CB 4.44Å; L310-K360 HydrophobicContact CD2-CD 3.7Å; L310-K360 HydrophobicContact CD2-CG 4.22Å; L310-L430 HydrophobicContact CD1-CB 3.94Å; L310-L430 HydrophobicContact CD1-CD1 4.1Å; L310-L430 HydrophobicContact CD1-CG 4.42Å; L310-V468 HydrophobicContact CB-CG2 4.49Å; L310-V468 HydrophobicContact CD1-CB 3.68Å; L310-V468 HydrophobicContact CD1-CG1 4.23Å; L310-V468 HydrophobicContact CD1-CG2 3.61Å; L310-V468 HydrophobicContact CG-CB 4.48Å; L310-V468 HydrophobicContact CG-CG2 3.87Å
311N83.7Confident71.1Confident72 Ų7278.7 Ų78.739%0.38540%0.4SS..  trans-79.282176.2-168.910000109.7R313 N352N311-R313 PolarHBondContact OD1-NE 2.74Å; N311-N352 PolarHBondContact O-ND2 3.31Å
312V87.3Confident74.1Confident1 Ų169 Ų691%0.00636%0.357CS..  trans-118114.2177.8178.30000108L310 L314 L318 L322 I345L310-V312 VanDerWaalsContact C-N 3.31Å; L310-V312 HydrophobicContact CB-CG2 4.15Å; L310-V312 PolarHBondContact O-N 3.04Å; V312-L314 HydrophobicContact CG1-CD2 4.19Å; V312-L314 HydrophobicContact CG1-CG 4.07Å; V312-L318 WeakPolarHBondContact O-CB 3.4Å; V312-L318 WeakPolarHBondContact O-CD1 3.43Å; V312-L322 HydrophobicContact CB-CD1 4.33Å; V312-I345 HydrophobicContact CG1-CB 4.45Å; V312-I345 HydrophobicContact CG1-CG1 3.98Å; V312-I345 HydrophobicContact CG1-CG2 4.49Å
313R84.8Confident76.8Confident156 Ų15668 Ų6859%0.58935%0.352SS*.  trans-104-25.6-170.6-65.4-173.4-180-179-4115N311 G315 G316 L317 L318N311-R313 PolarHBondContact OD1-NE 2.74Å; R313-G315 PolarHBondContact O-N 3.04Å; R313-G316 CarbonylContact O-C 3.52Å; R313-G316 WeakPolarHBondContact O-CA 3.36Å; R313-G316 PolarHBondContact O-N 2.98Å; R313-L317 PolarHBondContact O-N 2.56Å; R313-L318 PolarHBondContact O-N 3.49Å; R313-L318 VanDerWaalsContact O-N 3.08Å
314L88.2Confident79.5Confident2 Ų259.2 Ų59.21%0.0132%0.324CS..G310 helixtrans47.755.1-178.3-60.2179.4000113V312 G316 L317 L318 L341 D344 I345 L505V312-L314 HydrophobicContact CG1-CD2 4.19Å; V312-L314 HydrophobicContact CG1-CG 4.07Å; L314-G316 VanDerWaalsContact C-N 3.25Å; L314-G316 PolarHBondContact O-N 3.05Å; L314-L317 HydrophobicContact CB-CB 4.06Å; L314-L317 WeakPolarHBondContact O-CB 3.33Å; L314-L317 PolarHBondContact O-N 3.42Å; L314-L318 HydrophobicContact CD1-CD1 3.98Å; L314-L318 HydrophobicContact CD1-CG 4.39Å; L314-L318 HydrophobicContact CG-CD1 4.36Å; L314-L341 HydrophobicContact CD2-CD2 4.35Å; L314-D344 HydrophobicContact CD2-CB 4.15Å; L314-D344 WeakPolarHBondContact CD2-OD2 3.36Å; L314-I345 HydrophobicContact CD1-CG1 4.49Å; L314-I345 HydrophobicContact CD2-CG1 3.82Å; L314-L505 HydrophobicContact CD1-CD1 3.7Å; L314-L505 HydrophobicContact CD1-CD2 4.48Å
315G82.6Confident82.2Confident28 Ų2855.6 Ų55.629%0.28931%0.308SS..G310 helixtrans68.618.5-176.500000115.2R313 Y535R313-G315 PolarHBondContact O-N 3.04Å; G315-Y535 VanDerWaalsContact CA-CG 3.42Å
316G84.5Confident84.3Confident35 Ų3555.8 Ų55.836%0.36130%0.302SS..G310 helixtrans91.25.4-176.100000114R313 L314 L318R313-G316 CarbonylContact O-C 3.52Å; R313-G316 WeakPolarHBondContact O-CA 3.36Å; R313-G316 PolarHBondContact O-N 2.98Å; L314-G316 VanDerWaalsContact C-N 3.25Å; L314-G316 PolarHBondContact O-N 3.05Å; G316-L318 VanDerWaalsContact C-N 3.26Å; G316-L318 PolarHBondContact O-N 3.37Å
317L87.2Confident86Confident7 Ų748.2 Ų48.24%0.03726%0.262CS..THydrogen-bonded Turntrans-64.8-31.7174.6-168.261.5000112.2R313 L314 L505 C517 C519 R522 V524R313-L317 PolarHBondContact O-N 2.56Å; L314-L317 HydrophobicContact CB-CB 4.06Å; L314-L317 WeakPolarHBondContact O-CB 3.33Å; L314-L317 PolarHBondContact O-N 3.42Å; L317-L505 HydrophobicContact CD2-CD2 3.27Å; L317-L505 HydrophobicContact CG-CD2 3.96Å; L317-C517 HydrophobicContact CD2-CB 3.82Å; L317-C517 VanDerWaalsContact CD2-SG 3.57Å; L317-C519 HydrophobicContact CD1-CB 3.67Å; L317-C519 HydrophobicContact CD2-CB 4.25Å; L317-C519 HydrophobicContact CG-CB 3.73Å; L317-R522 HydrophobicContact CD1-CB 3.87Å; L317-V524 HydrophobicContact CB-CB 4.4Å; L317-V524 HydrophobicContact CB-CG2 3.87Å; L317-V524 HydrophobicContact CD1-CB 4.34Å; L317-V524 HydrophobicContact CD1-CG2 3.97Å; L317-V524 HydrophobicContact CG-CG2 4.46Å
318L88.6Confident87Confident8 Ų847 Ų474%0.04226%0.257CS..  trans-109.1115.7172.6-60.1176.1000109.7V312 R313 L314 G316 L322V312-L318 WeakPolarHBondContact O-CB 3.4Å; V312-L318 WeakPolarHBondContact O-CD1 3.43Å; R313-L318 PolarHBondContact O-N 3.49Å; R313-L318 VanDerWaalsContact O-N 3.08Å; L314-L318 HydrophobicContact CD1-CD1 3.98Å; L314-L318 HydrophobicContact CD1-CG 4.39Å; L314-L318 HydrophobicContact CG-CD1 4.36Å; G316-L318 VanDerWaalsContact C-N 3.26Å; G316-L318 PolarHBondContact O-N 3.37Å; L318-L322 HydrophobicContact CD1-CD1 4.16Å; L318-L322 HydrophobicContact CD1-CD2 4.27Å; L318-L322 HydrophobicContact CD1-CG 4.29Å
319E80.4Confident88Confident143 Ų14344.3 Ų44.367%0.66824%0.239SC*.  trans-77-42.6178.1-66.3-161.2131.900113.3R522E319-R522 VanDerWaalsContact CG-CZ 3.49Å; E319-R522 IonicContact OE1-CZ 3.97Å; E319-R522 IonicContact OE1-NH1 3.64Å; E319-R522 PolarHBondContact OE1-NH1 3.19Å; E319-R522 IonicContact OE1-NH2 3.91Å; E319-R522 PolarHBondContact OE1-NH2 2.66Å; E319-R522 IonicContact OE2-CZ 2.81Å; E319-R522 IonicContact OE2-NH1 2.63Å; E319-R522 IonicContact OE2-NH2 3.1Å; E319-R522 PolarHBondContact OE2-NH2 2.82Å; E319-R522 VanDerWaalsContact OE2-NH2 3.13Å
320E84.8Confident88.5Confident131 Ų13141.9 Ų41.961%0.61222%0.222SC*.SBendtrans-97.1143.9-176-63.4-179.4165.200109.8
321A86.7Confident88.8Confident38 Ų3842.2 Ų42.231%0.31422%0.224SC..  trans-60.7141.417000000110.1L310 A323L310-A321 CarbonylContact O-C 3.47Å; L310-A321 VanDerWaalsContact O-CA 3.31Å; L310-A321 WeakPolarHBondContact O-CA 3.46Å; L310-A321 WeakPolarHBondContact O-CB 3.43Å; A321-A323 PolarHBondContact O-N 3.25Å; A321-A323 VanDerWaalsContact O-N 3.15Å
322L89.5Confident88.9Confident5 Ų538.8 Ų38.83%0.02621%0.206CC..BIsolated β-bridgetrans-71.5111.6179.6-66.4169000109.4S309 L310 V312 L318 V468S309-L322 CarbonylContact C-O 3.51Å; S309-L322 WeakPolarHBondContact CA-O 3.38Å; S309-L322 WeakPolarHBondContact CB-O 3.33Å; L310-L322 HydrophobicContact CB-CB 4.32Å; L310-L322 PolarHBondContact N-O 3.37Å; L310-L322 PolarHBondContact O-N 2.98Å; V312-L322 HydrophobicContact CB-CD1 4.33Å; L318-L322 HydrophobicContact CD1-CD1 4.16Å; L318-L322 HydrophobicContact CD1-CD2 4.27Å; L318-L322 HydrophobicContact CD1-CG 4.29Å; L322-V468 HydrophobicContact CB-CG1 3.94Å; L322-V468 HydrophobicContact CB-CG2 3.92Å; L322-V468 HydrophobicContact CD1-CG1 3.95Å; L322-V468 HydrophobicContact CG-CG1 4.49Å; L322-V468 WeakPolarHBondContact O-CG2 3.47Å
323A89.2Confident88.4Confident29 Ų2944 Ų4424%0.2423%0.23CC..  trans-74.6152.2179.100000111.2A321 K325 Q326A321-A323 PolarHBondContact O-N 3.25Å; A321-A323 VanDerWaalsContact O-N 3.15Å; A323-K325 PolarHBondContact O-N 3.26Å; A323-Q326 HydrophobicContact CB-CG 4.15Å; A323-Q326 VanDerWaalsContact N-OE1 3.07Å; A323-Q326 VanDerWaalsContact O-CB 3.24Å; A323-Q326 WeakPolarHBondContact O-CB 3.44Å; A323-Q326 WeakPolarHBondContact O-CG 3.49Å; A323-Q326 PolarHBondContact O-N 2.69Å
324P89Confident87.8Confident39 Ų3937.8 Ų37.825%0.25321%0.209SC..THydrogen-bonded Turntrans-44.6140.4168.7-31.337000112.7K307 Q326 S466K307-P324 HydrophobicContact CB-CG 3.95Å; K307-P324 WeakPolarHBondContact O-CG 3.47Å; P324-Q326 PolarHBondContact O-N 3.42Å; P324-S466 WeakPolarHBondContact CB-O 3.32Å
325K90.7Very high87.4Confident111 Ų11139.5 Ų39.548%0.48322%0.22SC..THydrogen-bonded Turntrans72.4-3.4-177.3-47.1178.1-178.3-179.80115.4A323 T463 S466 L467A323-K325 PolarHBondContact O-N 3.26Å; K325-T463 VanDerWaalsContact CE-O 3.26Å; K325-T463 WeakPolarHBondContact CE-O 3.45Å; K325-S466 WeakPolarHBondContact CE-OG 3.5Å; K325-L467 VanDerWaalsContact CA-O 3.23Å; K325-L467 WeakPolarHBondContact CA-O 3.49Å; K325-L467 PolarHBondContact N-O 3.3Å
326Q93.9Very high87.3Confident64 Ų6440.7 Ų40.730%0.29922%0.224SC..  trans-72144.9170.3-68.8-173.9-13.300111A323 P324 G469A323-Q326 HydrophobicContact CB-CG 4.15Å; A323-Q326 VanDerWaalsContact N-OE1 3.07Å; A323-Q326 VanDerWaalsContact O-CB 3.24Å; A323-Q326 WeakPolarHBondContact O-CB 3.44Å; A323-Q326 WeakPolarHBondContact O-CG 3.49Å; A323-Q326 PolarHBondContact O-N 2.69Å; P324-Q326 PolarHBondContact O-N 3.42Å; Q326-G469 PolarHBondContact O-N 2.79Å
327I95.7Very high87.3Confident8 Ų839 Ų394%0.04121%0.207CC..EExtended strand (participates in β ladder)trans-123.1136.9-179-65.5169.4000110.3F458 L459 V462 G469 F471 V500 R502 K503I327-F458 HydrophobicContact CD1-CD1 4.33Å; I327-F458 HydrophobicContact CD1-CE1 3.95Å; I327-F458 HydrophobicContact CG1-CE1 4.1Å; I327-F458 HydrophobicContact CG2-CE1 3.76Å; I327-F458 HydrophobicContact CG2-CZ 4.49Å; I327-L459 HydrophobicContact CD1-CD1 3.69Å; I327-V462 HydrophobicContact CD1-CB 4.35Å; I327-V462 HydrophobicContact CD1-CG1 4Å; I327-V462 HydrophobicContact CG1-CG1 3.83Å; I327-G469 CarbonylContact C-O 3.55Å; I327-G469 VanDerWaalsContact CA-O 3.24Å; I327-G469 WeakPolarHBondContact CA-O 3.38Å; I327-F471 HydrophobicContact CG2-CD1 3.95Å; I327-F471 HydrophobicContact CG2-CE1 3.75Å; I327-V500 HydrophobicContact CB-CG1 4.14Å; I327-V500 HydrophobicContact CD1-CG1 3.39Å; I327-V500 HydrophobicContact CG1-CG1 4.33Å; I327-V500 HydrophobicContact CG2-CG1 3.78Å; I327-R502 HydrophobicContact CB-CB 4.13Å; I327-R502 HydrophobicContact CG2-CB 3.86Å; I327-R502 CarbonylContact O-C 3.53Å; I327-R502 WeakPolarHBondContact O-CA 3.44Å; I327-R502 VanDerWaalsContact O-CB 3.32Å; I327-R502 WeakPolarHBondContact O-CB 3.03Å; I327-K503 PolarHBondContact O-N 3.49Å
328L95.5Very high87.5Confident1 Ų138.8 Ų38.81%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-118.6125.9178.2-16869.2000109.4I345 G469 V470 F471 K503 L505L328-I345 HydrophobicContact CD2-CD1 4.03Å; L328-G469 PolarHBondContact N-O 2.53Å; L328-V470 HydrophobicContact CB-CG2 4.13Å; L328-V470 HydrophobicContact CD2-CG2 4.26Å; L328-V470 WeakPolarHBondContact O-CA 3.4Å; L328-F471 PolarHBondContact O-N 2.71Å; L328-K503 WeakPolarHBondContact CA-O 3.31Å; L328-K503 HydrophobicContact CD1-CB 3.9Å; L328-L505 HydrophobicContact CD1-CD1 3.63Å; L328-L505 HydrophobicContact CD1-CG 3.87Å; L328-L505 HydrophobicContact CD2-CD1 3.5Å; L328-L505 VanDerWaalsContact CD2-CD1 3.5Å; L328-L505 HydrophobicContact CG-CD1 3.63Å; L328-L505 HydrophobicContact CG-CG 4.3Å
329E95.7Very high87.5Confident0 Ų039.2 Ų39.20%021%0.209CC..EExtended strand (participates in β ladder)trans-98.9125.4168.7176.2-175.316800108.7N331 F471 R473 R502 K503 R504 L505E329-N331 HydrophobicContact CG-CB 4.35Å; E329-N331 PolarHBondContact OE1-ND2 3.2Å; E329-F471 WeakPolarHBondContact CA-O 3.47Å; E329-F471 HydrophobicContact CB-CE1 4.01Å; E329-F471 HydrophobicContact CB-CE2 3.99Å; E329-F471 HydrophobicContact CB-CZ 3.62Å; E329-F471 HydrophobicContact CG-CD2 4.36Å; E329-F471 HydrophobicContact CG-CE2 3.62Å; E329-F471 HydrophobicContact CG-CZ 3.74Å; E329-R473 IonicContact OE1-CZ 3.36Å; E329-R473 VanDerWaalsContact OE1-CZ 3.29Å; E329-R473 IonicContact OE1-NE 3.29Å; E329-R473 PolarHBondContact OE1-NE 3Å; E329-R473 IonicContact OE1-NH2 3.34Å; E329-R473 PolarHBondContact OE1-NH2 2.78Å; E329-R502 HydrophobicContact CB-CG 4.36Å; E329-R502 IonicContact OE2-CZ 3.92Å; E329-R502 VanDerWaalsContact OE2-CZ 3.26Å; E329-R502 IonicContact OE2-NE 3.11Å; E329-R502 PolarHBondContact OE2-NE 3.36Å; E329-R502 IonicContact OE2-NH2 2.84Å; E329-R502 PolarHBondContact OE2-NH2 2.89Å; E329-K503 PolarHBondContact N-O 3.19Å; E329-R504 HydrophobicContact CB-CG 4.24Å; E329-R504 IonicContact OE2-CZ 2.77Å; E329-R504 IonicContact OE2-NE 2.67Å; E329-R504 PolarHBondContact OE2-NE 3.19Å; E329-L505 PolarHBondContact O-N 3.04Å
330I95.2Very high87.9Confident0 Ų033.2 Ų33.20%018%0.181CC..EExtended strand (participates in β ladder)trans-105.2107167.5-48.4179.9000108.6R338 L341 L342 I345 V470 F471 T472 R473 L505 V507I330-R338 HydrophobicContact CG2-CB 4.27Å; I330-R338 HydrophobicContact CG2-CG 4Å; I330-L341 HydrophobicContact CD1-CB 4.09Å; I330-L341 HydrophobicContact CG2-CD1 3.99Å; I330-L342 HydrophobicContact CD1-CD2 3.88Å; I330-L342 HydrophobicContact CD1-CG 4.44Å; I330-I345 HydrophobicContact CD1-CD1 3.68Å; I330-V470 HydrophobicContact CD1-CG1 4.01Å; I330-V470 HydrophobicContact CG1-CG1 4.21Å; I330-F471 PolarHBondContact N-O 3.17Å; I330-T472 HydrophobicContact CB-CG2 4.03Å; I330-T472 HydrophobicContact CD1-CG2 4.45Å; I330-T472 CarbonylContact O-C 3.59Å; I330-T472 WeakPolarHBondContact O-CA 3.45Å; I330-T472 WeakPolarHBondContact O-CB 3.4Å; I330-R473 PolarHBondContact O-N 2.97Å; I330-L505 HydrophobicContact CD1-CD1 4.4Å; I330-L505 HydrophobicContact CG1-CB 4.34Å; I330-L505 HydrophobicContact CG1-CD1 3.91Å; I330-L505 HydrophobicContact CG2-CB 4.41Å; I330-V507 HydrophobicContact CG2-CG2 3.76Å
331N92.3Very high88.2Confident9 Ų927 Ų275%0.04815%0.152CC..EExtended strand (participates in β ladder)trans-113.2157.7176.166.942.2000111.5E329 R473 L475 L505 H506 V507E329-N331 HydrophobicContact CG-CB 4.35Å; E329-N331 PolarHBondContact OE1-ND2 3.2Å; N331-R473 WeakPolarHBondContact CA-O 3.16Å; N331-R473 HydrophobicContact CB-CB 4.37Å; N331-L475 HydrophobicContact CB-CD1 4.35Å; N331-L475 HydrophobicContact CB-CD2 4.15Å; N331-L475 HydrophobicContact CB-CG 4.14Å; N331-L505 PolarHBondContact N-O 2.92Å; N331-L505 PolarHBondContact OD1-O 3.35Å; N331-H506 WeakPolarHBondContact OD1-CA 3.31Å; N331-H506 PolarHBondContact OD1-ND1 2.71Å; N331-V507 PolarHBondContact O-N 3.14Å
332G86Confident88.6Confident0 Ų025.1 Ų25.10%014%0.137CC..EExtended strand (participates in β ladder)trans173.7167.1179.700000112.2R473 L475 V507G332-R473 PolarHBondContact N-O 2.93Å; G332-L475 PolarHBondContact O-N 3.33Å; G332-L475 VanDerWaalsContact O-N 3.1Å; G332-V507 WeakPolarHBondContact CA-O 3.19Å
333E75.7Confident88.7Confident110 Ų11025.3 Ų25.351%0.51414%0.138SC..SBendtrans-82.6-20.2178.5-58.5-176.4167.200112.6H474 V476E333-H474 PolarHBondContact O-CE1 3.14Å; E333-H474 PolarHBondContact O-NE2 2.56Å; E333-V476 HydrophobicContact CB-CG2 4.33Å; E333-V476 HydrophobicContact CG-CG2 4.07Å
334T73.4Confident88.7Confident25 Ų2524.3 Ų24.315%0.15313%0.129CC..  trans-114.4138.7-175.365.40000111.6R338 R509T334-R338 WeakPolarHBondContact O-CG 3.26Å; T334-R338 PolarHBondContact O-NE 3.44Å; T334-R509 HydrophobicContact CG2-CB 3.53Å; T334-R509 HydrophobicContact CG2-CG 4.37Å
335V79.5Confident88.8Confident38 Ų3822.5 Ų22.523%0.2312%0.117CC..Hα-helixtrans-67.9-45.7174.31790000109.9G337 R338 S339 H370V335-G337 PolarHBondContact O-N 2.97Å; V335-R338 PolarHBondContact O-N 3.32Å; V335-R338 VanDerWaalsContact O-N 3.16Å; V335-S339 PolarHBondContact O-N 3.41Å; V335-S339 PolarHBondContact O-OG 2.7Å; V335-S339 VanDerWaalsContact O-OG 3.1Å; V335-H370 HydrophobicContact CG1-CB 4.19Å
336S79.7Confident89Confident54 Ų5417.2 Ų17.238%0.3789%0.094SC..Hα-helixtrans-57.1-46.5-173.948.20000113.7R338 S339 L340 F515S336-R338 PolarHBondContact O-N 2.68Å; S336-S339 PolarHBondContact O-N 3.29Å; S336-L340 VanDerWaalsContact O-CG 3.28Å; S336-L340 WeakPolarHBondContact O-CG 3.25Å; S336-L340 PolarHBondContact O-N 3.41Å; S336-L340 VanDerWaalsContact O-N 3.09Å; S336-F515 WeakPolarHBondContact OG-CE1 3.22Å; S336-F515 VanDerWaalsContact OG-CZ 3.32Å; S336-F515 WeakPolarHBondContact OG-CZ 3.27Å
337G85.4Confident88.8Confident0 Ų014.1 Ų14.10%08%0.08CC..Hα-helixtrans-64.4-40.2178.800000113V335 L340 L341V335-G337 PolarHBondContact O-N 2.97Å; G337-L340 PolarHBondContact O-N 3.06Å; G337-L341 PolarHBondContact O-N 3.16Å
338R90.9Very high88.4Confident2 Ų214.6 Ų14.61%0.0088%0.083CC..Hα-helixtrans-65.6-46177.2-64.9-173.8-67.8142.5-5.6111.3I330 T334 V335 S336 L340 L341 L342 D435 T472 H474 V507I330-R338 HydrophobicContact CG2-CB 4.27Å; I330-R338 HydrophobicContact CG2-CG 4Å; T334-R338 WeakPolarHBondContact O-CG 3.26Å; T334-R338 PolarHBondContact O-NE 3.44Å; V335-R338 PolarHBondContact O-N 3.32Å; V335-R338 VanDerWaalsContact O-N 3.16Å; S336-R338 PolarHBondContact O-N 2.68Å; R338-L340 VanDerWaalsContact C-N 3.29Å; R338-L340 PolarHBondContact O-N 3.11Å; R338-L341 PolarHBondContact O-N 3.46Å; R338-L342 PolarHBondContact O-N 2.87Å; R338-D435 IonicContact CZ-OD2 3.17Å; R338-D435 IonicContact NH1-OD2 2.87Å; R338-D435 PolarHBondContact NH1-OD2 2.76Å; R338-D435 IonicContact NH2-OD2 3.55Å; R338-D435 PolarHBondContact NH2-OD2 3.23Å; R338-T472 PolarHBondContact NH1-OG1 3.05Å; R338-H474 PolarHBondContact NH2-CD2 2.91Å; R338-V507 HydrophobicContact CG-CB 4.45Å; R338-V507 HydrophobicContact CG-CG2 4.39Å
339S89.5Confident88.1Confident17 Ų1714.5 Ų14.512%0.1198%0.083CC..Hα-helixtrans-61.5-36.8178.9-56.40000112.1V335 S336 L342 L343V335-S339 PolarHBondContact O-N 3.41Å; V335-S339 PolarHBondContact O-OG 2.7Å; V335-S339 VanDerWaalsContact O-OG 3.1Å; S336-S339 PolarHBondContact O-N 3.29Å; S339-L342 PolarHBondContact O-N 3.25Å; S339-L343 VanDerWaalsContact O-CG 3.27Å; S339-L343 WeakPolarHBondContact O-CG 3.14Å; S339-L343 PolarHBondContact O-N 2.83Å
340L88.3Confident87.7Confident16 Ų1614.5 Ų14.58%0.0848%0.083CC..Hα-helixtrans-63.9-41.1174.7-70.6170.8000112.6S336 G337 R338 L343 D344 F515 F526 T528 V533S336-L340 VanDerWaalsContact O-CG 3.28Å; S336-L340 WeakPolarHBondContact O-CG 3.25Å; S336-L340 PolarHBondContact O-N 3.41Å; S336-L340 VanDerWaalsContact O-N 3.09Å; G337-L340 PolarHBondContact O-N 3.06Å; R338-L340 VanDerWaalsContact C-N 3.29Å; R338-L340 PolarHBondContact O-N 3.11Å; L340-L343 HydrophobicContact CD2-CD1 4.24Å; L340-L343 WeakPolarHBondContact O-CB 3.26Å; L340-L343 PolarHBondContact O-N 2.81Å; L340-D344 PolarHBondContact O-N 2.93Å; L340-D344 VanDerWaalsContact O-N 3.13Å; L340-F515 HydrophobicContact CD1-CD2 3.91Å; L340-F515 HydrophobicContact CD1-CE2 3.51Å; L340-F515 HydrophobicContact CD1-CZ 4.31Å; L340-F526 HydrophobicContact CB-CD2 4.39Å; L340-F526 HydrophobicContact CB-CE2 3.94Å; L340-F526 HydrophobicContact CD1-CD2 4.47Å; L340-F526 HydrophobicContact CD1-CE2 4.22Å; L340-T528 HydrophobicContact CD1-CG2 4.48Å; L340-V533 HydrophobicContact CB-CG2 4Å; L340-V533 HydrophobicContact CD2-CG2 3.95Å
341L91.3Very high87.1Confident0 Ų016.8 Ų16.80%09%0.094CC..Hα-helixtrans-65.7-41.6173.9-65.6-176.6000111.5L314 I330 G337 R338 L343 D344 I345 V507 C517 F526 Y535L314-L341 HydrophobicContact CD2-CD2 4.35Å; I330-L341 HydrophobicContact CD1-CB 4.09Å; I330-L341 HydrophobicContact CG2-CD1 3.99Å; G337-L341 PolarHBondContact O-N 3.16Å; R338-L341 PolarHBondContact O-N 3.46Å; L341-L343 VanDerWaalsContact C-N 3.32Å; L341-L343 PolarHBondContact O-N 3.18Å; L341-D344 PolarHBondContact O-N 3.18Å; L341-I345 VanDerWaalsContact O-CG1 3.26Å; L341-I345 WeakPolarHBondContact O-CG1 3.06Å; L341-I345 PolarHBondContact O-N 3.09Å; L341-V507 HydrophobicContact CD1-CG2 3.44Å; L341-V507 VanDerWaalsContact CD1-CG2 3.44Å; L341-V507 HydrophobicContact CG-CG2 4.48Å; L341-C517 HydrophobicContact CD1-CB 4.18Å; L341-F526 HydrophobicContact CD1-CZ 4.28Å; L341-F526 HydrophobicContact CD2-CD1 4.43Å; L341-F526 HydrophobicContact CD2-CD2 4.4Å; L341-F526 HydrophobicContact CD2-CE1 4.11Å; L341-F526 HydrophobicContact CD2-CE2 4.04Å; L341-F526 HydrophobicContact CD2-CZ 3.88Å; L341-F526 HydrophobicContact CG-CE1 4.44Å; L341-F526 HydrophobicContact CG-CE2 4.17Å; L341-F526 HydrophobicContact CG-CZ 3.86Å; L341-Y535 HydrophobicContact CD2-CE1 4.4Å
342L93.7Very high86.2Confident0 Ų018.6 Ų18.60%010%0.104CC..Hα-helixtrans-58.5-44.2174.4-69.8-179.7000111.8I330 R338 S339 D344 I345 I346 F364 F371 I432 D434 V470 T472I330-L342 HydrophobicContact CD1-CD2 3.88Å; I330-L342 HydrophobicContact CD1-CG 4.44Å; R338-L342 PolarHBondContact O-N 2.87Å; S339-L342 PolarHBondContact O-N 3.25Å; L342-D344 VanDerWaalsContact C-N 3.32Å; L342-D344 PolarHBondContact O-N 3.46Å; L342-I345 PolarHBondContact O-N 3.48Å; L342-I346 HydrophobicContact CB-CD1 4.42Å; L342-I346 WeakPolarHBondContact O-CB 3.17Å; L342-I346 WeakPolarHBondContact O-CD1 3.49Å; L342-I346 WeakPolarHBondContact O-CG1 3.4Å; L342-I346 PolarHBondContact O-N 3.16Å; L342-F364 HydrophobicContact CD1-CE2 3.97Å; L342-F364 HydrophobicContact CD1-CZ 4.13Å; L342-F371 HydrophobicContact CB-CE2 4.1Å; L342-I432 HydrophobicContact CD2-CD1 4.28Å; L342-I432 HydrophobicContact CD2-CG2 3.67Å; L342-D434 HydrophobicContact CD1-CB 4.07Å; L342-D434 WeakPolarHBondContact CD1-OD1 3.43Å; L342-V470 HydrophobicContact CD2-CG1 4Å; L342-T472 HydrophobicContact CD1-CG2 3.65Å; L342-T472 HydrophobicContact CD2-CG2 3.72Å; L342-T472 HydrophobicContact CG-CG2 3.88Å
343L91.2Very high84.8Confident9 Ų922.8 Ų22.85%0.04713%0.133CC..Hα-helixtrans-56.2-45.4175.7-74164.7000111.6S339 L340 L341 A347 F371 T375 L376S339-L343 VanDerWaalsContact O-CG 3.27Å; S339-L343 WeakPolarHBondContact O-CG 3.14Å; S339-L343 PolarHBondContact O-N 2.83Å; L340-L343 HydrophobicContact CD2-CD1 4.24Å; L340-L343 WeakPolarHBondContact O-CB 3.26Å; L340-L343 PolarHBondContact O-N 2.81Å; L341-L343 VanDerWaalsContact C-N 3.32Å; L341-L343 PolarHBondContact O-N 3.18Å; L343-A347 WeakPolarHBondContact O-CB 3.27Å; L343-A347 PolarHBondContact O-N 3.32Å; L343-F371 HydrophobicContact CD2-CE1 4.46Å; L343-F371 HydrophobicContact CD2-CE2 3.9Å; L343-F371 HydrophobicContact CD2-CZ 3.59Å; L343-F371 HydrophobicContact CG-CE2 3.98Å; L343-F371 HydrophobicContact CG-CZ 4.16Å; L343-T375 HydrophobicContact CD1-CG2 3.61Å; L343-T375 HydrophobicContact CD2-CG2 4.45Å; L343-L376 VanDerWaalsContact CD2-CA 3.42Å; L343-L376 HydrophobicContact CD2-CB 3.64Å; L343-L376 HydrophobicContact CD2-CD1 3.97Å; L343-L376 HydrophobicContact CD2-CG 4.42Å
344D89.5Confident83.5Confident7 Ų722.5 Ų22.54%0.03713%0.132CC..Hα-helixtrans-65.3-45.1176.9-175.717.9000112.4L314 L340 L341 L342 I346 A347 S348 R383 Y535L314-D344 HydrophobicContact CD2-CB 4.15Å; L314-D344 WeakPolarHBondContact CD2-OD2 3.36Å; L340-D344 PolarHBondContact O-N 2.93Å; L340-D344 VanDerWaalsContact O-N 3.13Å; L341-D344 PolarHBondContact O-N 3.18Å; L342-D344 VanDerWaalsContact C-N 3.32Å; L342-D344 PolarHBondContact O-N 3.46Å; D344-I346 PolarHBondContact O-N 2.86Å; D344-A347 PolarHBondContact O-N 3.39Å; D344-S348 VanDerWaalsContact O-CB 3.23Å; D344-S348 WeakPolarHBondContact O-CB 3.3Å; D344-S348 PolarHBondContact O-N 2.97Å; D344-S348 PolarHBondContact O-OG 3.06Å; D344-S348 PolarHBondContact OD1-OG 2.82Å; D344-S348 VanDerWaalsContact OD1-OG 3.06Å; D344-R383 VanDerWaalsContact CG-NH2 3.31Å; D344-R383 IonicContact OD1-CZ 3.75Å; D344-R383 IonicContact OD1-NH1 3.93Å; D344-R383 PolarHBondContact OD1-NH1 3.44Å; D344-R383 IonicContact OD1-NH2 3.97Å; D344-R383 PolarHBondContact OD1-NH2 3.09Å; D344-Y535 WeakPolarHBondContact OD2-CE2 3.27Å; D344-Y535 PolarHBondContact OD2-OH 3.21Å
345I92.9Very high81.8Confident1 Ų131.2 Ų31.21%0.00517%0.171CC..Hα-helixtrans-58.8-49.4177.9-64.9171.7000110.3V312 L314 L328 I330 L341 L342 S348 C349 L430 I432 V470V312-I345 HydrophobicContact CG1-CB 4.45Å; V312-I345 HydrophobicContact CG1-CG1 3.98Å; V312-I345 HydrophobicContact CG1-CG2 4.49Å; L314-I345 HydrophobicContact CD1-CG1 4.49Å; L314-I345 HydrophobicContact CD2-CG1 3.82Å; L328-I345 HydrophobicContact CD2-CD1 4.03Å; I330-I345 HydrophobicContact CD1-CD1 3.68Å; L341-I345 VanDerWaalsContact O-CG1 3.26Å; L341-I345 WeakPolarHBondContact O-CG1 3.06Å; L341-I345 PolarHBondContact O-N 3.09Å; L342-I345 PolarHBondContact O-N 3.48Å; I345-S348 PolarHBondContact O-N 3.47Å; I345-C349 WeakPolarHBondContact O-CB 3.43Å; I345-C349 PolarHBondContact O-N 2.77Å; I345-L430 HydrophobicContact CG2-CD2 3.67Å; I345-I432 HydrophobicContact CG2-CD1 4.35Å; I345-V470 HydrophobicContact CD1-CG1 4.32Å
346I93.2Very high80Confident0 Ų033.6 Ų33.60%020%0.203CC..Hα-helixtrans-63.2-51.4-178.2-64.7159.6000109.6L342 D344 S348 C349 V350 V362 F364 F371 L376 F399 I432L342-I346 HydrophobicContact CB-CD1 4.42Å; L342-I346 WeakPolarHBondContact O-CB 3.17Å; L342-I346 WeakPolarHBondContact O-CD1 3.49Å; L342-I346 WeakPolarHBondContact O-CG1 3.4Å; L342-I346 PolarHBondContact O-N 3.16Å; D344-I346 PolarHBondContact O-N 2.86Å; I346-S348 VanDerWaalsContact C-N 3.32Å; I346-S348 PolarHBondContact O-N 2.98Å; I346-C349 PolarHBondContact O-N 3.21Å; I346-C349 VanDerWaalsContact O-N 3.08Å; I346-V350 HydrophobicContact CG2-CG1 4.44Å; I346-V350 WeakPolarHBondContact O-CG2 3.43Å; I346-V350 PolarHBondContact O-N 2.91Å; I346-V362 HydrophobicContact CG1-CG1 4.33Å; I346-F364 HydrophobicContact CD1-CD2 3.7Å; I346-F364 HydrophobicContact CD1-CE2 3.76Å; I346-F364 HydrophobicContact CG1-CD2 4.5Å; I346-F371 HydrophobicContact CD1-CE1 4.18Å; I346-F371 HydrophobicContact CD1-CE2 3.81Å; I346-F371 HydrophobicContact CD1-CZ 3.38Å; I346-L376 HydrophobicContact CB-CD1 4.02Å; I346-L376 HydrophobicContact CG2-CD1 3.66Å; I346-L376 HydrophobicContact CG2-CD2 3.9Å; I346-L376 HydrophobicContact CG2-CG 4.44Å; I346-F399 HydrophobicContact CD1-CE2 3.77Å; I346-F399 HydrophobicContact CD1-CZ 4.3Å; I346-F399 HydrophobicContact CG1-CE2 4.11Å; I346-F399 HydrophobicContact CG2-CD2 3.43Å; I346-F399 VanDerWaalsContact CG2-CD2 3.43Å; I346-F399 HydrophobicContact CG2-CE2 3.65Å; I346-F399 HydrophobicContact CG2-CG 4.27Å; I346-I432 HydrophobicContact CD1-CD1 4.12Å; I346-I432 HydrophobicContact CG1-CD1 3.56Å
347A89.8Confident78.4Confident0 Ų032.9 Ų32.90%020%0.204CC..Hα-helixtrans-58.2-44.4179.700000111.3L343 D344 C349 M351 T379 I380L343-A347 WeakPolarHBondContact O-CB 3.27Å; L343-A347 PolarHBondContact O-N 3.32Å; D344-A347 PolarHBondContact O-N 3.39Å; A347-C349 VanDerWaalsContact C-N 3.32Å; A347-C349 PolarHBondContact O-N 3.45Å; A347-M351 WeakPolarHBondContact O-CB 3.24Å; A347-M351 WeakPolarHBondContact O-CG 3.46Å; A347-M351 PolarHBondContact O-N 3.43Å; A347-M351 VanDerWaalsContact O-N 3.15Å; A347-T379 HydrophobicContact CB-CG2 4.17Å; A347-I380 HydrophobicContact CB-CG1 4Å
348S88.2Confident76.7Confident17 Ų1738 Ų3812%0.11923%0.231CC..Hα-helixtrans-61.3-38.8176-60.90000112.4D344 I345 I346 N352 R383D344-S348 VanDerWaalsContact O-CB 3.23Å; D344-S348 WeakPolarHBondContact O-CB 3.3Å; D344-S348 PolarHBondContact O-N 2.97Å; D344-S348 PolarHBondContact O-OG 3.06Å; D344-S348 PolarHBondContact OD1-OG 2.82Å; D344-S348 VanDerWaalsContact OD1-OG 3.06Å; I345-S348 PolarHBondContact O-N 3.47Å; I346-S348 VanDerWaalsContact C-N 3.32Å; I346-S348 PolarHBondContact O-N 2.98Å; S348-N352 WeakPolarHBondContact O-CB 3.34Å; S348-N352 PolarHBondContact O-N 3.21Å; S348-N352 PolarHBondContact O-ND2 3.06Å; S348-R383 PolarHBondContact OG-NH1 2.8Å
349C89.4Confident74.8Confident0 Ų039.6 Ų39.60%024%0.244CC..Hα-helixtrans-69.8-51.6-179.2-163.70000111.9I345 I346 A347 M351 N352 V362 L430I345-C349 WeakPolarHBondContact O-CB 3.43Å; I345-C349 PolarHBondContact O-N 2.77Å; I346-C349 PolarHBondContact O-N 3.21Å; I346-C349 VanDerWaalsContact O-N 3.08Å; A347-C349 VanDerWaalsContact C-N 3.32Å; A347-C349 PolarHBondContact O-N 3.45Å; C349-M351 VanDerWaalsContact C-N 3.29Å; C349-M351 PolarHBondContact O-N 3.04Å; C349-N352 PolarHBondContact O-N 3.37Å; C349-V362 HydrophobicContact CB-CG2 3.69Å; C349-L430 HydrophobicContact CB-CD2 4.01Å
350V87.4Confident74.1Confident0 Ų039 Ų390%024%0.24CC..Hα-helixtrans-70.9-26.5-174.6-60.10000113.2I346 V362 I380 A395 R398 F399I346-V350 HydrophobicContact CG2-CG1 4.44Å; I346-V350 WeakPolarHBondContact O-CG2 3.43Å; I346-V350 PolarHBondContact O-N 2.91Å; V350-V362 HydrophobicContact CG1-CG2 3.77Å; V350-I380 HydrophobicContact CG2-CD1 3.83Å; V350-I380 HydrophobicContact CG2-CG1 4.38Å; V350-A395 WeakPolarHBondContact CB-O 3.01Å; V350-A395 HydrophobicContact CG2-CB 4.16Å; V350-R398 HydrophobicContact CB-CB 4.2Å; V350-R398 HydrophobicContact CG1-CB 4Å; V350-R398 WeakPolarHBondContact O-CD 3.43Å; V350-R398 PolarHBondContact O-NH1 3.45Å; V350-F399 HydrophobicContact CG1-CB 4.33Å
351M83Confident74.1Confident48 Ų4838.4 Ų38.424%0.23624%0.237CC..Hα-helixtrans-82.8-21.1179.6-69.8-69.1-73.300114.2A347 C349 S353 I380 R383 L384 A395A347-M351 WeakPolarHBondContact O-CB 3.24Å; A347-M351 WeakPolarHBondContact O-CG 3.46Å; A347-M351 PolarHBondContact O-N 3.43Å; A347-M351 VanDerWaalsContact O-N 3.15Å; C349-M351 VanDerWaalsContact C-N 3.29Å; C349-M351 PolarHBondContact O-N 3.04Å; M351-S353 VanDerWaalsContact C-N 3.31Å; M351-S353 PolarHBondContact O-N 3.4Å; M351-I380 HydrophobicContact CG-CG2 4.36Å; M351-I380 HydrophobicContact SD-CG2 3.7Å; M351-R383 HydrophobicContact CE-CB 4.28Å; M351-L384 HydrophobicContact CE-CB 4.49Å; M351-L384 HydrophobicContact CE-CD2 3.28Å; M351-L384 HydrophobicContact CE-CG 3.52Å; M351-L384 HydrophobicContact SD-CD2 3.94Å; M351-L384 HydrophobicContact SD-CG 4.09Å; M351-A395 HydrophobicContact SD-CB 3.94Å
352N71.5Confident74.2Confident46 Ų4638.4 Ų38.425%0.24624%0.237CC..  trans-71.283.9179.6-83.6-26.5000110.7N311 S348 C349 K360N311-N352 PolarHBondContact O-ND2 3.31Å; S348-N352 WeakPolarHBondContact O-CB 3.34Å; S348-N352 PolarHBondContact O-N 3.21Å; S348-N352 PolarHBondContact O-ND2 3.06Å; C349-N352 PolarHBondContact O-N 3.37Å; N352-K360 HydrophobicContact CB-CD 4.16Å
353S57.7Low74.2Confident88 Ų8838.4 Ų38.462%0.61524%0.237SC*.  trans-89.494.516055.10000108.5M351 E355M351-S353 VanDerWaalsContact C-N 3.31Å; M351-S353 PolarHBondContact O-N 3.4Å; S353-E355 PolarHBondContact O-N 2.98Å
354E48.9Very low74.5Confident105 Ų10538 Ų3849%0.49124%0.235SC..  trans-62135.1160.9-77.9165.9-14300107.8G356 G357 K360E354-G356 PolarHBondContact O-N 3.26Å; E354-G357 PolarHBondContact O-N 2.93Å; E354-K360 IonicContact OE1-NZ 3.54Å; E354-K360 PolarHBondContact OE1-NZ 3.18Å
355E37Very low74.7Confident208 Ų20837.7 Ų37.797%0.97223%0.233SC*.THydrogen-bonded Turntrans-55.4102.8173-73.6-177.4159.200109S353S353-E355 PolarHBondContact O-N 2.98Å
356G41.4Very low74.7Confident88 Ų8837.6 Ų37.691%0.90723%0.233SC*.THydrogen-bonded Turntrans90.91-177.900000116.6E354E354-G356 PolarHBondContact O-N 3.26Å
357G45.7Very low74.6Confident38 Ų3837.6 Ų37.639%0.39223%0.233SC..PPolyproline II helixtrans-86.3146.2177.700000113.8E354E354-G357 PolarHBondContact O-N 2.93Å
358L50.1Low74.2Confident108 Ų10837.7 Ų37.757%0.56523%0.233SC*.PPolyproline II helixtrans-59.2141174.1-88.596.1000111.7K360 N426L358-K360 PolarHBondContact O-N 3.07Å; L358-N426 HydrophobicContact CD2-CB 3.45Å; L358-N426 VanDerWaalsContact CD2-CB 3.45Å
359A51.7Low74Confident36 Ų3639.8 Ų39.830%0.29824%0.242SC..PPolyproline II helixtrans-58.5132.6-179.800000112.1G361A359-G361 PolarHBondContact O-N 2.8Å
360K74.4Confident73.6Confident5 Ų544.5 Ų44.52%0.02226%0.263CS..  trans-95.480.6-176.4-67.3176.4-174.8-175.40110.7S309 L310 N352 E354 L358 S429S309-K360 PolarHBondContact O-NZ 2.71Å; L310-K360 HydrophobicContact CD2-CB 4.44Å; L310-K360 HydrophobicContact CD2-CD 3.7Å; L310-K360 HydrophobicContact CD2-CG 4.22Å; N352-K360 HydrophobicContact CB-CD 4.16Å; E354-K360 IonicContact OE1-NZ 3.54Å; E354-K360 PolarHBondContact OE1-NZ 3.18Å; L358-K360 PolarHBondContact O-N 3.07Å; K360-S429 WeakPolarHBondContact CA-OG 3.1Å; K360-S429 VanDerWaalsContact CB-OG 3.29Å; K360-S429 WeakPolarHBondContact CB-OG 3.39Å
361G87.3Confident73.6Confident3 Ų345.1 Ų45.13%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-71.5152.3177.800000113.3A359 R398 L427 F428 S429 L430A359-G361 PolarHBondContact O-N 2.8Å; G361-R398 CarbonylContact C-O 3.57Å; G361-R398 WeakPolarHBondContact CA-O 3.4Å; G361-L427 WeakPolarHBondContact CA-O 3.47Å; G361-L427 PolarHBondContact N-O 3.42Å; G361-F428 WeakPolarHBondContact O-CA 3.39Å; G361-S429 PolarHBondContact O-N 2.97Å; G361-L430 PolarHBondContact O-N 3.15Å
362V93.5Very high73.6Confident0 Ų045 Ų450%027%0.27CS..EExtended strand (participates in β ladder)trans-118.4127.4179.4-177.50000109.6I346 C349 V350 R398 F399 H400 L430 I432I346-V362 HydrophobicContact CG1-CG1 4.33Å; C349-V362 HydrophobicContact CB-CG2 3.69Å; V350-V362 HydrophobicContact CG1-CG2 3.77Å; V362-R398 PolarHBondContact N-O 2.83Å; V362-F399 HydrophobicContact CB-CD2 3.98Å; V362-F399 HydrophobicContact CG1-CD2 4Å; V362-F399 HydrophobicContact CG1-CE2 4.16Å; V362-H400 PolarHBondContact O-N 3.28Å; V362-L430 WeakPolarHBondContact CA-O 3.14Å; V362-L430 HydrophobicContact CG1-CB 4.39Å; V362-L430 HydrophobicContact CG1-CD2 4.02Å; V362-L430 HydrophobicContact CG1-CG 4.19Å; V362-L430 HydrophobicContact CG2-CB 4.19Å; V362-L430 HydrophobicContact CG2-CD2 3.95Å; V362-I432 HydrophobicContact CG1-CD1 4.18Å; V362-I432 HydrophobicContact CG1-CG1 4.2Å
363L94.9Very high74.3Confident0 Ų046.8 Ų46.80%028%0.279CS..EExtended strand (participates in β ladder)trans-98.3122.9166.6-65.9165.6000108H400 I417 I420 L421 F428 L430 L431 I432L363-H400 HydrophobicContact CD2-CB 3.92Å; L363-I417 HydrophobicContact CD1-CG1 4.22Å; L363-I417 HydrophobicContact CD1-CG2 3.84Å; L363-I420 HydrophobicContact CD2-CD1 4.44Å; L363-I420 HydrophobicContact CD2-CG2 4.41Å; L363-L421 HydrophobicContact CD1-CD1 4.02Å; L363-L421 HydrophobicContact CD1-CD2 3.93Å; L363-L421 HydrophobicContact CD1-CG 4Å; L363-F428 HydrophobicContact CD1-CB 4.28Å; L363-F428 HydrophobicContact CD1-CD1 4.21Å; L363-F428 HydrophobicContact CD1-CG 4.11Å; L363-F428 HydrophobicContact CD2-CD1 3.88Å; L363-F428 HydrophobicContact CD2-CE1 3.65Å; L363-F428 HydrophobicContact CD2-CG 4.38Å; L363-F428 HydrophobicContact CD2-CZ 4Å; L363-F428 HydrophobicContact CG-CB 4.45Å; L363-F428 HydrophobicContact CG-CD1 3.57Å; L363-F428 HydrophobicContact CG-CE1 3.89Å; L363-F428 HydrophobicContact CG-CG 3.98Å; L363-L430 PolarHBondContact N-O 3.48Å; L363-L431 HydrophobicContact CB-CD1 3.84Å; L363-L431 CarbonylContact O-C 3.53Å; L363-L431 WeakPolarHBondContact O-CA 3.44Å; L363-I432 PolarHBondContact O-N 3.34Å
364F96.3Very high75.6Confident0 Ų049.5 Ų49.50%028%0.282CS..EExtended strand (participates in β ladder)trans-124.4118.1-177.1-172.7-85.9000110.4L342 I346 D366 F371 F399 H400 Y401 I402 I432 D434L342-F364 HydrophobicContact CD1-CE2 3.97Å; L342-F364 HydrophobicContact CD1-CZ 4.13Å; I346-F364 HydrophobicContact CD1-CD2 3.7Å; I346-F364 HydrophobicContact CD1-CE2 3.76Å; I346-F364 HydrophobicContact CG1-CD2 4.5Å; F364-D366 HydrophobicContact CD1-CB 4.16Å; F364-D366 HydrophobicContact CE1-CB 3.71Å; F364-F371 HydrophobicContact CE1-CB 3.85Å; F364-F371 HydrophobicContact CE1-CD1 4.06Å; F364-F371 HydrophobicContact CE1-CD2 4.24Å; F364-F371 AromaticContact CE1-CG 3.78Å; F364-F371 HydrophobicContact CE1-CG 3.78Å; F364-F371 HydrophobicContact CE2-CD2 4.12Å; F364-F371 HydrophobicContact CE2-CE2 4.19Å; F364-F371 HydrophobicContact CE2-CG 4.41Å; F364-F371 HydrophobicContact CZ-CB 3.92Å; F364-F371 HydrophobicContact CZ-CD1 4.12Å; F364-F371 AromaticContact CZ-CD2 3.55Å; F364-F371 HydrophobicContact CZ-CD2 3.55Å; F364-F371 HydrophobicContact CZ-CE2 4.08Å; F364-F371 AromaticContact CZ-CG 3.57Å; F364-F371 HydrophobicContact CZ-CG 3.57Å; F364-F399 HydrophobicContact CB-CD2 4.47Å; F364-F399 HydrophobicContact CB-CE2 3.44Å; F364-F399 VanDerWaalsContact CB-CE2 3.44Å; F364-F399 HydrophobicContact CB-CZ 3.57Å; F364-F399 HydrophobicContact CD1-CZ 4.18Å; F364-F399 HydrophobicContact CD2-CE2 4.07Å; F364-F399 HydrophobicContact CD2-CZ 4.21Å; F364-F399 AromaticContact CG-CE2 3.88Å; F364-F399 HydrophobicContact CG-CE2 3.88Å; F364-F399 AromaticContact CG-CZ 3.74Å; F364-F399 HydrophobicContact CG-CZ 3.74Å; F364-H400 PolarHBondContact N-O 3.11Å; F364-Y401 AromaticContact CD1-CD2 3.66Å; F364-Y401 HydrophobicContact CD1-CD2 3.66Å; F364-Y401 AromaticContact CD1-CE2 3.93Å; F364-Y401 HydrophobicContact CD1-CE2 3.93Å; F364-Y401 HydrophobicContact CE1-CD2 4.22Å; F364-Y401 HydrophobicContact CE1-CE2 4.04Å; F364-I402 PolarHBondContact O-N 2.94Å; F364-I432 HydrophobicContact CD2-CB 3.64Å; F364-I432 HydrophobicContact CD2-CD1 4.07Å; F364-I432 HydrophobicContact CD2-CG1 4.29Å; F364-I432 HydrophobicContact CD2-CG2 3.68Å; F364-I432 HydrophobicContact CE2-CB 4.16Å; F364-I432 HydrophobicContact CE2-CD1 4.46Å; F364-I432 HydrophobicContact CE2-CG2 3.64Å; F364-I432 HydrophobicContact CG-CB 4.45Å; F364-D434 HydrophobicContact CE1-CB 4.13Å; F364-D434 HydrophobicContact CE2-CB 4.33Å; F364-D434 HydrophobicContact CZ-CB 3.63Å
365I95.4Very high77.3Confident0 Ų047 Ų470%027%0.274CS..EExtended strand (participates in β ladder)trans-101.3114.1173.6-48.8-179.3000108.8I402 C404 L410 F414 I417 L431 I432 V433 D434I365-I402 CarbonylContact C-O 3.58Å; I365-I402 WeakPolarHBondContact CA-O 3.34Å; I365-C404 WeakPolarHBondContact CG2-SG 3.43Å; I365-L410 HydrophobicContact CD1-CD1 4.15Å; I365-L410 HydrophobicContact CG2-CD1 3.72Å; I365-F414 HydrophobicContact CD1-CE2 4.46Å; I365-F414 HydrophobicContact CD1-CZ 4.38Å; I365-I417 HydrophobicContact CD1-CD1 3.37Å; I365-I417 HydrophobicContact CG1-CD1 3.75Å; I365-L431 HydrophobicContact CD1-CD1 4.41Å; I365-L431 HydrophobicContact CG1-CD1 4.4Å; I365-I432 PolarHBondContact N-O 2.8Å; I365-V433 HydrophobicContact CB-CG1 4.36Å; I365-V433 HydrophobicContact CB-CG2 4.31Å; I365-V433 HydrophobicContact CD1-CG2 3.89Å; I365-V433 HydrophobicContact CG1-CG2 4.32Å; I365-D434 PolarHBondContact O-N 3.27Å
366D93Very high79.8Confident0 Ų037.1 Ų37.10%023%0.228CC..EExtended strand (participates in β ladder)trans-94.3101.2176.8-165.3-7.1000111.2F364 A368 Q369 F371 Y401 I402 C404F364-D366 HydrophobicContact CD1-CB 4.16Å; F364-D366 HydrophobicContact CE1-CB 3.71Å; D366-A368 PolarHBondContact OD1-N 3.06Å; D366-Q369 VanDerWaalsContact CG-N 3.34Å; D366-Q369 WeakPolarHBondContact OD1-CA 3.22Å; D366-Q369 PolarHBondContact OD1-N 2.98Å; D366-Q369 VanDerWaalsContact OD2-CA 3.26Å; D366-Q369 WeakPolarHBondContact OD2-CA 3.44Å; D366-Q369 PolarHBondContact OD2-N 3.02Å; D366-F371 WeakPolarHBondContact OD2-CB 3.29Å; D366-F371 PolarHBondContact OD2-N 2.78Å; D366-Y401 HydrophobicContact CB-CE2 3.57Å; D366-Y401 WeakPolarHBondContact CB-OH 3.26Å; D366-Y401 PolarHBondContact OD2-OH 3.05Å; D366-I402 PolarHBondContact N-O 3.25Å; D366-C404 PolarHBondContact O-N 2.94Å
367C89.6Confident82Confident0 Ų034.2 Ų34.20%020%0.195CC..SBendtrans-82.1-34.9172-46.60000111.8D434 D435 Y438 Y439C367-D434 WeakPolarHBondContact CB-O 3.22Å; C367-D434 PolarHBondContact N-O 2.88Å; C367-D434 PolarHBondContact SG-O 2.94Å; C367-D435 WeakPolarHBondContact CB-O 3.34Å; C367-Y438 WeakPolarHBondContact O-CD1 3.29Å; C367-Y438 WeakPolarHBondContact O-CE1 3.38Å; C367-Y439 WeakPolarHBondContact CA-OH 3.32Å; C367-Y439 HydrophobicContact CB-CD2 4.33Å; C367-Y439 HydrophobicContact CB-CE2 3.56Å; C367-Y439 PolarHBondContact O-OH 3.1Å; C367-Y439 VanDerWaalsContact O-OH 3.05Å
368A82.9Confident83.8Confident1 Ų135.9 Ų35.91%0.00819%0.194CC..SBendtrans-78.2-28.1-171.200000112.1D366 H370 D435D366-A368 PolarHBondContact OD1-N 3.06Å; A368-H370 VanDerWaalsContact C-N 3.26Å; A368-H370 PolarHBondContact O-CD2 2.8Å; A368-H370 PolarHBondContact O-N 3.49Å; A368-H370 PolarHBondContact O-NE2 2.72Å; A368-D435 HydrophobicContact CB-CB 3.76Å
369Q83.3Confident85.5Confident62 Ų6230.9 Ų30.929%0.2917%0.168SC..SBendtrans62.830.4-175.1-45.6-177.74.900112.9D366 R403 C404 N405D366-Q369 VanDerWaalsContact CG-N 3.34Å; D366-Q369 WeakPolarHBondContact OD1-CA 3.22Å; D366-Q369 PolarHBondContact OD1-N 2.98Å; D366-Q369 VanDerWaalsContact OD2-CA 3.26Å; D366-Q369 WeakPolarHBondContact OD2-CA 3.44Å; D366-Q369 PolarHBondContact OD2-N 3.02Å; Q369-R403 VanDerWaalsContact CD-NE 3.32Å; Q369-R403 HydrophobicContact CG-CG 4.14Å; Q369-C404 PolarHBondContact NE2-O 2.84Å; Q369-N405 PolarHBondContact NE2-OD1 2.78Å
370H81.6Confident87.2Confident99 Ų9929.2 Ų29.246%0.45815%0.154SC..  trans-111.8-2.8178-66.6-69.8000112.5V335 A368 S372 R478V335-H370 HydrophobicContact CG1-CB 4.19Å; A368-H370 VanDerWaalsContact C-N 3.26Å; A368-H370 PolarHBondContact O-CD2 2.8Å; A368-H370 PolarHBondContact O-N 3.49Å; A368-H370 PolarHBondContact O-NE2 2.72Å; H370-S372 PolarHBondContact O-N 3.37Å; H370-R478 PolarHBondContact CD2-NH2 2.97Å; H370-R478 VanDerWaalsContact CD2-NH2 3.26Å; H370-R478 PolarHBondContact NE2-NH1 3.28Å
371F86Confident87.8Confident13 Ų1330.6 Ų30.66%0.05716%0.162CC..  trans-75121-178-168.9-96.5000110.7L342 L343 I346 F364 D366 L373 L376 F399 Y401L342-F371 HydrophobicContact CB-CE2 4.1Å; L343-F371 HydrophobicContact CD2-CE1 4.46Å; L343-F371 HydrophobicContact CD2-CE2 3.9Å; L343-F371 HydrophobicContact CD2-CZ 3.59Å; L343-F371 HydrophobicContact CG-CE2 3.98Å; L343-F371 HydrophobicContact CG-CZ 4.16Å; I346-F371 HydrophobicContact CD1-CE1 4.18Å; I346-F371 HydrophobicContact CD1-CE2 3.81Å; I346-F371 HydrophobicContact CD1-CZ 3.38Å; F364-F371 HydrophobicContact CE1-CB 3.85Å; F364-F371 HydrophobicContact CE1-CD1 4.06Å; F364-F371 HydrophobicContact CE1-CD2 4.24Å; F364-F371 AromaticContact CE1-CG 3.78Å; F364-F371 HydrophobicContact CE1-CG 3.78Å; F364-F371 HydrophobicContact CE2-CD2 4.12Å; F364-F371 HydrophobicContact CE2-CE2 4.19Å; F364-F371 HydrophobicContact CE2-CG 4.41Å; F364-F371 HydrophobicContact CZ-CB 3.92Å; F364-F371 HydrophobicContact CZ-CD1 4.12Å; F364-F371 AromaticContact CZ-CD2 3.55Å; F364-F371 HydrophobicContact CZ-CD2 3.55Å; F364-F371 HydrophobicContact CZ-CE2 4.08Å; F364-F371 AromaticContact CZ-CG 3.57Å; F364-F371 HydrophobicContact CZ-CG 3.57Å; D366-F371 WeakPolarHBondContact OD2-CB 3.29Å; D366-F371 PolarHBondContact OD2-N 2.78Å; F371-L373 HydrophobicContact CD1-CD2 4.24Å; F371-L373 HydrophobicContact CE1-CD2 4.33Å; F371-L373 PolarHBondContact O-N 3.11Å; F371-L376 HydrophobicContact CE1-CB 4.16Å; F371-L376 HydrophobicContact CE1-CD2 4.08Å; F371-L376 HydrophobicContact CZ-CB 4.27Å; F371-L376 HydrophobicContact CZ-CD2 4.37Å; F371-F399 HydrophobicContact CE1-CE1 4.46Å; F371-F399 AromaticContact CE1-CZ 3.98Å; F371-F399 HydrophobicContact CE1-CZ 3.98Å; F371-Y401 HydrophobicContact CD1-CE2 4.42Å
372S83.1Confident87.6Confident46 Ų4632 Ų3232%0.32217%0.171SC..  trans-89108.3-178.6175.70000111.1H370 E374 T375 L376H370-S372 PolarHBondContact O-N 3.37Å; S372-E374 PolarHBondContact O-N 3.48Å; S372-T375 VanDerWaalsContact CB-OG1 3.3Å; S372-T375 WeakPolarHBondContact CB-OG1 3.43Å; S372-T375 PolarHBondContact O-N 2.87Å; S372-T375 PolarHBondContact OG-N 2.88Å; S372-T375 VanDerWaalsContact OG-N 3.11Å; S372-T375 PolarHBondContact OG-OG1 3.28Å; S372-L376 PolarHBondContact O-N 3.1Å; S372-L376 VanDerWaalsContact O-N 3.1Å
373L87.5Confident87.2Confident82 Ų8235.8 Ų35.843%0.42919%0.185SC..Hα-helixtrans-62.5-33.3173.3-64179000112.2F371 L376 A377 F399 Y401F371-L373 HydrophobicContact CD1-CD2 4.24Å; F371-L373 HydrophobicContact CE1-CD2 4.33Å; F371-L373 PolarHBondContact O-N 3.11Å; L373-L376 WeakPolarHBondContact O-CB 3.48Å; L373-L376 PolarHBondContact O-N 3.45Å; L373-A377 PolarHBondContact O-N 3.05Å; L373-F399 HydrophobicContact CD2-CD1 4.41Å; L373-F399 HydrophobicContact CD2-CE1 3.58Å; L373-F399 HydrophobicContact CD2-CZ 4.44Å; L373-Y401 HydrophobicContact CD2-CD2 3.89Å; L373-Y401 HydrophobicContact CD2-CE2 4.34Å; L373-Y401 HydrophobicContact CD2-CG 4.14Å
374E83.8Confident86.7Confident145 Ų14537.1 Ų37.168%0.67819%0.192SC*.Hα-helixtrans-63.6-45.4175.5-175.3-179.7-178.700110.9S372 L376 A377 I378S372-E374 PolarHBondContact O-N 3.48Å; E374-L376 VanDerWaalsContact C-N 3.29Å; E374-L376 PolarHBondContact O-N 2.92Å; E374-A377 PolarHBondContact O-N 2.98Å; E374-I378 HydrophobicContact CG-CD1 4.12Å; E374-I378 WeakPolarHBondContact O-CG1 3.41Å; E374-I378 PolarHBondContact O-N 3.42Å
375T84.3Confident85.7Confident53 Ų5343.9 Ų43.933%0.32523%0.228SC..Hα-helixtrans-66-33.1177.4-51.80000111.8L343 S372 T379L343-T375 HydrophobicContact CD1-CG2 3.61Å; L343-T375 HydrophobicContact CD2-CG2 4.45Å; S372-T375 VanDerWaalsContact CB-OG1 3.3Å; S372-T375 WeakPolarHBondContact CB-OG1 3.43Å; S372-T375 PolarHBondContact O-N 2.87Å; S372-T375 PolarHBondContact OG-N 2.88Å; S372-T375 VanDerWaalsContact OG-N 3.11Å; S372-T375 PolarHBondContact OG-OG1 3.28Å; T375-T379 WeakPolarHBondContact O-CB 3.39Å; T375-T379 PolarHBondContact O-N 3.02Å; T375-T379 PolarHBondContact O-OG1 2.77Å
376L89.3Confident84.8Confident1 Ų147.4 Ų47.41%0.00525%0.247CC..Hα-helixtrans-63.2-48171.7178.964.1000111.4L343 I346 F371 S372 L373 E374 I378 T379 I380 F399L343-L376 VanDerWaalsContact CD2-CA 3.42Å; L343-L376 HydrophobicContact CD2-CB 3.64Å; L343-L376 HydrophobicContact CD2-CD1 3.97Å; L343-L376 HydrophobicContact CD2-CG 4.42Å; I346-L376 HydrophobicContact CB-CD1 4.02Å; I346-L376 HydrophobicContact CG2-CD1 3.66Å; I346-L376 HydrophobicContact CG2-CD2 3.9Å; I346-L376 HydrophobicContact CG2-CG 4.44Å; F371-L376 HydrophobicContact CE1-CB 4.16Å; F371-L376 HydrophobicContact CE1-CD2 4.08Å; F371-L376 HydrophobicContact CZ-CB 4.27Å; F371-L376 HydrophobicContact CZ-CD2 4.37Å; S372-L376 PolarHBondContact O-N 3.1Å; S372-L376 VanDerWaalsContact O-N 3.1Å; L373-L376 WeakPolarHBondContact O-CB 3.48Å; L373-L376 PolarHBondContact O-N 3.45Å; E374-L376 VanDerWaalsContact C-N 3.29Å; E374-L376 PolarHBondContact O-N 2.92Å; L376-I378 PolarHBondContact O-N 3.4Å; L376-T379 PolarHBondContact O-N 3.13Å; L376-I380 HydrophobicContact CD1-CD1 3.95Å; L376-I380 HydrophobicContact CD1-CG1 4.26Å; L376-I380 HydrophobicContact CG-CD1 3.93Å; L376-I380 WeakPolarHBondContact O-CG1 3.37Å; L376-I380 PolarHBondContact O-N 2.89Å; L376-F399 HydrophobicContact CD2-CD1 3.71Å; L376-F399 HydrophobicContact CD2-CD2 4.18Å; L376-F399 HydrophobicContact CD2-CE1 3.7Å; L376-F399 HydrophobicContact CD2-CE2 4.18Å; L376-F399 HydrophobicContact CD2-CG 3.95Å; L376-F399 HydrophobicContact CD2-CZ 3.95Å
377A88.5Confident83.9Confident26 Ų2653.5 Ų53.522%0.21528%0.275CS..Hα-helixtrans-58.8-47.4177.800000111.4L373 E374 T379 I380 D381 L396L373-A377 PolarHBondContact O-N 3.05Å; E374-A377 PolarHBondContact O-N 2.98Å; A377-T379 VanDerWaalsContact C-N 3.32Å; A377-T379 PolarHBondContact O-N 3.29Å; A377-I380 PolarHBondContact O-N 2.95Å; A377-D381 VanDerWaalsContact O-CB 3.28Å; A377-D381 WeakPolarHBondContact O-CB 3.4Å; A377-D381 PolarHBondContact O-N 2.86Å; A377-L396 HydrophobicContact CB-CD1 4.28Å
378I83.3Confident83.4Confident74 Ų7456.1 Ų56.138%0.37929%0.289SS..Hα-helixtrans-59.2-43.3176.2-65.7165.8000111.1E374 L376 I380 D381 C382E374-I378 HydrophobicContact CG-CD1 4.12Å; E374-I378 WeakPolarHBondContact O-CG1 3.41Å; E374-I378 PolarHBondContact O-N 3.42Å; L376-I378 PolarHBondContact O-N 3.4Å; I378-I380 PolarHBondContact O-N 2.83Å; I378-D381 PolarHBondContact O-N 3.18Å; I378-C382 WeakPolarHBondContact O-CB 3.41Å; I378-C382 PolarHBondContact O-N 2.62Å; I378-C382 PolarHBondContact O-SG 2.76Å
379T85.9Confident83.5Confident3 Ų361.9 Ų61.92%0.01832%0.316CS..Hα-helixtrans-64.3-39.7180-58.80000112A347 T375 L376 A377 R383A347-T379 HydrophobicContact CB-CG2 4.17Å; T375-T379 WeakPolarHBondContact O-CB 3.39Å; T375-T379 PolarHBondContact O-N 3.02Å; T375-T379 PolarHBondContact O-OG1 2.77Å; L376-T379 PolarHBondContact O-N 3.13Å; A377-T379 VanDerWaalsContact C-N 3.32Å; A377-T379 PolarHBondContact O-N 3.29Å; T379-R383 WeakPolarHBondContact O-CG 3.28Å; T379-R383 PolarHBondContact O-N 3.23Å
380I88.2Confident83.2Confident0 Ų066.1 Ų66.10%033%0.334CS..Hα-helixtrans-69.2-46.4176.9-68.1169.2000110.3A347 V350 M351 L376 A377 I378 C382 R383 L384 L392 A395 L396A347-I380 HydrophobicContact CB-CG1 4Å; V350-I380 HydrophobicContact CG2-CD1 3.83Å; V350-I380 HydrophobicContact CG2-CG1 4.38Å; M351-I380 HydrophobicContact CG-CG2 4.36Å; M351-I380 HydrophobicContact SD-CG2 3.7Å; L376-I380 HydrophobicContact CD1-CD1 3.95Å; L376-I380 HydrophobicContact CD1-CG1 4.26Å; L376-I380 HydrophobicContact CG-CD1 3.93Å; L376-I380 WeakPolarHBondContact O-CG1 3.37Å; L376-I380 PolarHBondContact O-N 2.89Å; A377-I380 PolarHBondContact O-N 2.95Å; I378-I380 PolarHBondContact O-N 2.83Å; I380-C382 VanDerWaalsContact C-N 3.33Å; I380-C382 PolarHBondContact O-N 3.39Å; I380-R383 WeakPolarHBondContact O-CB 3.41Å; I380-R383 PolarHBondContact O-N 3.38Å; I380-L384 HydrophobicContact CG2-CD1 4.2Å; I380-L384 PolarHBondContact O-N 3.07Å; I380-L384 VanDerWaalsContact O-N 3.07Å; I380-L392 HydrophobicContact CB-CD1 3.85Å; I380-L392 HydrophobicContact CG2-CD1 3.53Å; I380-A395 HydrophobicContact CG2-CB 3.85Å; I380-L396 HydrophobicContact CD1-CD2 3.79Å; I380-L396 HydrophobicContact CD1-CG 4.42Å
381D86.2Confident83.3Confident34 Ų3465.8 Ų65.818%0.18233%0.331CS..Hα-helixtrans-58.9-44.7179.5-171.448.5000111.6A377 I378 R383 L384 H387 L392A377-D381 VanDerWaalsContact O-CB 3.28Å; A377-D381 WeakPolarHBondContact O-CB 3.4Å; A377-D381 PolarHBondContact O-N 2.86Å; I378-D381 PolarHBondContact O-N 3.18Å; D381-R383 PolarHBondContact O-N 3.49Å; D381-L384 PolarHBondContact O-N 2.98Å; D381-H387 VanDerWaalsContact CG-ND1 3.31Å; D381-H387 WeakPolarHBondContact OD1-CA 3.39Å; D381-H387 IonicContact OD1-ND1 3.95Å; D381-H387 PolarHBondContact OD1-ND1 3Å; D381-H387 IonicContact OD2-CE1 3.47Å; D381-H387 PolarHBondContact OD2-CE1 3.08Å; D381-H387 IonicContact OD2-CG 3.92Å; D381-H387 IonicContact OD2-ND1 2.79Å; D381-H387 PolarHBondContact OD2-ND1 3.37Å; D381-L392 HydrophobicContact CB-CD1 4.27Å; D381-L392 HydrophobicContact CB-CD2 4.21Å
382C84Confident83.2Confident32 Ų3266.6 Ų66.622%0.21634%0.336CS..Hα-helixtrans-62.6-24.7174.7-68.30000113.7I378 I380 N385 R531I378-C382 WeakPolarHBondContact O-CB 3.41Å; I378-C382 PolarHBondContact O-N 2.62Å; I378-C382 PolarHBondContact O-SG 2.76Å; I380-C382 VanDerWaalsContact C-N 3.33Å; I380-C382 PolarHBondContact O-N 3.39Å; C382-N385 PolarHBondContact O-OD1 2.82Å; C382-N385 VanDerWaalsContact O-OD1 3.11Å; C382-R531 HydrophobicContact CB-CB 4.32Å; C382-R531 VanDerWaalsContact CB-O 3.28Å; C382-R531 WeakPolarHBondContact CB-O 3.45Å; C382-R531 VanDerWaalsContact SG-CA 3.58Å
383R84.7Confident83.2Confident81 Ų8170.1 Ų70.131%0.30635%0.345SS..Hα-helixtrans-85.2-27.1176.7-73.9178.4-173.2-151-7.9113.4D344 S348 M351 T379 I380 D381 N385D344-R383 VanDerWaalsContact CG-NH2 3.31Å; D344-R383 IonicContact OD1-CZ 3.75Å; D344-R383 IonicContact OD1-NH1 3.93Å; D344-R383 PolarHBondContact OD1-NH1 3.44Å; D344-R383 IonicContact OD1-NH2 3.97Å; D344-R383 PolarHBondContact OD1-NH2 3.09Å; S348-R383 PolarHBondContact OG-NH1 2.8Å; M351-R383 HydrophobicContact CE-CB 4.28Å; T379-R383 WeakPolarHBondContact O-CG 3.28Å; T379-R383 PolarHBondContact O-N 3.23Å; I380-R383 WeakPolarHBondContact O-CB 3.41Å; I380-R383 PolarHBondContact O-N 3.38Å; D381-R383 PolarHBondContact O-N 3.49Å; R383-N385 PolarHBondContact O-N 3.27Å
384L83.4Confident82.9Confident28 Ų2868.5 Ų68.515%0.14734%0.339CS..Hα-helixtrans-67.6-25.4176.4-76.2167.7000111.8M351 I380 D381 D386 K391 L392M351-L384 HydrophobicContact CE-CB 4.49Å; M351-L384 HydrophobicContact CE-CD2 3.28Å; M351-L384 HydrophobicContact CE-CG 3.52Å; M351-L384 HydrophobicContact SD-CD2 3.94Å; M351-L384 HydrophobicContact SD-CG 4.09Å; I380-L384 HydrophobicContact CG2-CD1 4.2Å; I380-L384 PolarHBondContact O-N 3.07Å; I380-L384 VanDerWaalsContact O-N 3.07Å; D381-L384 PolarHBondContact O-N 2.98Å; L384-D386 WeakPolarHBondContact CB-OD1 3.32Å; L384-D386 PolarHBondContact O-N 2.79Å; L384-K391 HydrophobicContact CD1-CB 3.87Å; L384-K391 HydrophobicContact CD2-CB 3.66Å; L384-K391 HydrophobicContact CD2-CD 3.88Å; L384-K391 HydrophobicContact CD2-CG 4.4Å; L384-K391 HydrophobicContact CG-CB 4.43Å; L384-L392 HydrophobicContact CD1-CB 3.93Å
385N76.1Confident83Confident142 Ų14261.8 Ų61.876%0.75931%0.308SS*.SBendtrans61.2-7179.4-70.8-27.9000115.9C382 R383C382-N385 PolarHBondContact O-OD1 2.82Å; C382-N385 VanDerWaalsContact O-OD1 3.11Å; R383-N385 PolarHBondContact O-N 3.27Å
386D75.5Confident83.1Confident74 Ų7461.9 Ų61.940%0.39631%0.307SS..SBendtrans-116.3-2.9-177.258.77.7000113.9L384 D388 K391L384-D386 WeakPolarHBondContact CB-OD1 3.32Å; L384-D386 PolarHBondContact O-N 2.79Å; D386-D388 PolarHBondContact O-N 2.85Å; D386-D388 VanDerWaalsContact O-N 3.16Å; D386-D388 VanDerWaalsContact OD1-CB 3.28Å; D386-D388 WeakPolarHBondContact OD1-CB 3.46Å; D386-D388 PolarHBondContact OD1-N 2.82Å; D386-D388 VanDerWaalsContact OD1-N 3.11Å; D386-K391 IonicContact OD2-NZ 3.13Å; D386-K391 PolarHBondContact OD2-NZ 3.42Å
387H75.6Confident82.9Confident128 Ų12865.8 Ų65.859%0.59333%0.334SS*.  trans50.432.4-173.6-59.9-71000113D381 E389D381-H387 VanDerWaalsContact CG-ND1 3.31Å; D381-H387 WeakPolarHBondContact OD1-CA 3.39Å; D381-H387 IonicContact OD1-ND1 3.95Å; D381-H387 PolarHBondContact OD1-ND1 3Å; D381-H387 IonicContact OD2-CE1 3.47Å; D381-H387 PolarHBondContact OD2-CE1 3.08Å; D381-H387 IonicContact OD2-CG 3.92Å; D381-H387 IonicContact OD2-ND1 2.79Å; D381-H387 PolarHBondContact OD2-ND1 3.37Å; H387-E389 PolarHBondContact O-N 2.81Å; H387-E389 VanDerWaalsContact O-N 3.07Å
388D79.1Confident82.8Confident55 Ų5567.1 Ų67.129%0.29433%0.333SS..  trans-71.6103.4178.7-176.5-19.9000110.1D386 F390 K391 L392D386-D388 PolarHBondContact O-N 2.85Å; D386-D388 VanDerWaalsContact O-N 3.16Å; D386-D388 VanDerWaalsContact OD1-CB 3.28Å; D386-D388 WeakPolarHBondContact OD1-CB 3.46Å; D386-D388 PolarHBondContact OD1-N 2.82Å; D386-D388 VanDerWaalsContact OD1-N 3.11Å; D388-F390 PolarHBondContact O-N 2.8Å; D388-F390 WeakPolarHBondContact OD1-CA 3.49Å; D388-F390 VanDerWaalsContact OD1-CB 3.32Å; D388-F390 WeakPolarHBondContact OD1-CB 3.45Å; D388-F390 PolarHBondContact OD1-N 3.1Å; D388-K391 HydrophobicContact CB-CB 4.12Å; D388-K391 HydrophobicContact CB-CD 3.97Å; D388-K391 HydrophobicContact CB-CG 4.09Å; D388-K391 PolarHBondContact O-N 3.08Å; D388-K391 VanDerWaalsContact O-N 3.13Å; D388-K391 PolarHBondContact OD1-N 2.79Å; D388-K391 VanDerWaalsContact OD2-CE 3.26Å; D388-K391 WeakPolarHBondContact OD2-CE 3.3Å; D388-K391 WeakPolarHBondContact OD2-CG 3.47Å; D388-K391 IonicContact OD2-NZ 2.84Å; D388-L392 PolarHBondContact O-N 3.25Å
389E83.5Confident83.1Confident122 Ų12264.8 Ų64.857%0.5732%0.32SS*.Hα-helixtrans-55.6-33.8179.9-168-173.116700112.3H387 K393H387-E389 PolarHBondContact O-N 2.81Å; H387-E389 VanDerWaalsContact O-N 3.07Å; E389-K393 HydrophobicContact CG-CD 4.36Å; E389-K393 WeakPolarHBondContact O-CB 2.99Å; E389-K393 VanDerWaalsContact O-CG 3.31Å; E389-K393 WeakPolarHBondContact O-CG 3.38Å; E389-K393 PolarHBondContact O-N 2.76Å; E389-K393 WeakPolarHBondContact OE1-CE 3.34Å; E389-K393 IonicContact OE1-NZ 3.94Å; E389-K393 PolarHBondContact OE1-NZ 3.37Å
390F78.4Confident83.4Confident151 Ų15168.5 Ų68.566%0.66234%0.337SS*.Hα-helixtrans-70.5-43.5179.4-179.2-96.3000111.3D388 K393 T394D388-F390 PolarHBondContact O-N 2.8Å; D388-F390 WeakPolarHBondContact OD1-CA 3.49Å; D388-F390 VanDerWaalsContact OD1-CB 3.32Å; D388-F390 WeakPolarHBondContact OD1-CB 3.45Å; D388-F390 PolarHBondContact OD1-N 3.1Å; F390-K393 PolarHBondContact O-N 2.92Å; F390-T394 WeakPolarHBondContact O-CB 3.41Å; F390-T394 PolarHBondContact O-N 2.93Å; F390-T394 PolarHBondContact O-OG1 3.34Å
391K82.1Confident83.5Confident91 Ų9172 Ų7240%0.39635%0.351SS..Hα-helixtrans-65.2-41.3174.7-69.4178.7-167.9167.70111.5L384 D386 D388 T394 A395L384-K391 HydrophobicContact CD1-CB 3.87Å; L384-K391 HydrophobicContact CD2-CB 3.66Å; L384-K391 HydrophobicContact CD2-CD 3.88Å; L384-K391 HydrophobicContact CD2-CG 4.4Å; L384-K391 HydrophobicContact CG-CB 4.43Å; D386-K391 IonicContact OD2-NZ 3.13Å; D386-K391 PolarHBondContact OD2-NZ 3.42Å; D388-K391 HydrophobicContact CB-CB 4.12Å; D388-K391 HydrophobicContact CB-CD 3.97Å; D388-K391 HydrophobicContact CB-CG 4.09Å; D388-K391 PolarHBondContact O-N 3.08Å; D388-K391 VanDerWaalsContact O-N 3.13Å; D388-K391 PolarHBondContact OD1-N 2.79Å; D388-K391 VanDerWaalsContact OD2-CE 3.26Å; D388-K391 WeakPolarHBondContact OD2-CE 3.3Å; D388-K391 WeakPolarHBondContact OD2-CG 3.47Å; D388-K391 IonicContact OD2-NZ 2.84Å; K391-T394 PolarHBondContact O-N 2.91Å; K391-A395 WeakPolarHBondContact O-CB 3.48Å; K391-A395 PolarHBondContact O-N 2.56Å
392L84.4Confident83.7Confident30 Ų3071.7 Ų71.716%0.15735%0.349CS..Hα-helixtrans-60-49.2176.1178.960.7000111.3I380 D381 L384 D388 T394 A395 L396I380-L392 HydrophobicContact CB-CD1 3.85Å; I380-L392 HydrophobicContact CG2-CD1 3.53Å; D381-L392 HydrophobicContact CB-CD1 4.27Å; D381-L392 HydrophobicContact CB-CD2 4.21Å; L384-L392 HydrophobicContact CD1-CB 3.93Å; D388-L392 PolarHBondContact O-N 3.25Å; L392-T394 VanDerWaalsContact C-N 3.31Å; L392-T394 PolarHBondContact O-N 2.76Å; L392-A395 PolarHBondContact O-N 2.92Å; L392-L396 HydrophobicContact CD1-CD1 4.03Å; L392-L396 HydrophobicContact CD1-CG 4.24Å; L392-L396 HydrophobicContact CG-CD1 4.04Å; L392-L396 WeakPolarHBondContact O-CB 3.32Å; L392-L396 WeakPolarHBondContact O-CG 3.41Å; L392-L396 PolarHBondContact O-N 2.93Å
393K83.4Confident83.9Confident120 Ų12077 Ų7752%0.52237%0.365SS..Hα-helixtrans-59.9-41.3175.2-77.3176.6-177.4169.20111.9E389 F390 L396 S397E389-K393 HydrophobicContact CG-CD 4.36Å; E389-K393 WeakPolarHBondContact O-CB 2.99Å; E389-K393 VanDerWaalsContact O-CG 3.31Å; E389-K393 WeakPolarHBondContact O-CG 3.38Å; E389-K393 PolarHBondContact O-N 2.76Å; E389-K393 WeakPolarHBondContact OE1-CE 3.34Å; E389-K393 IonicContact OE1-NZ 3.94Å; E389-K393 PolarHBondContact OE1-NZ 3.37Å; F390-K393 PolarHBondContact O-N 2.92Å; K393-L396 PolarHBondContact O-N 2.92Å; K393-S397 WeakPolarHBondContact O-CB 3.49Å; K393-S397 PolarHBondContact O-N 2.86Å
394T81.5Confident84Confident48 Ų4873.1 Ų73.129%0.29435%0.35SS..Hα-helixtrans-63.4-43.6177.6-590000111.3F390 K391 L392 S397F390-T394 WeakPolarHBondContact O-CB 3.41Å; F390-T394 PolarHBondContact O-N 2.93Å; F390-T394 PolarHBondContact O-OG1 3.34Å; K391-T394 PolarHBondContact O-N 2.91Å; L392-T394 VanDerWaalsContact C-N 3.31Å; L392-T394 PolarHBondContact O-N 2.76Å; T394-S397 PolarHBondContact O-N 2.78Å; T394-S397 PolarHBondContact O-OG 3.33Å
395A84.9Confident84.1Confident4 Ų476.6 Ų76.63%0.03337%0.369CS..Hα-helixtrans-64-47.3175.400000111.7V350 M351 I380 K391 L392 S397 R398V350-A395 WeakPolarHBondContact CB-O 3.01Å; V350-A395 HydrophobicContact CG2-CB 4.16Å; M351-A395 HydrophobicContact SD-CB 3.94Å; I380-A395 HydrophobicContact CG2-CB 3.85Å; K391-A395 WeakPolarHBondContact O-CB 3.48Å; K391-A395 PolarHBondContact O-N 2.56Å; L392-A395 PolarHBondContact O-N 2.92Å; A395-S397 VanDerWaalsContact C-N 3.3Å; A395-S397 PolarHBondContact O-N 3.18Å; A395-R398 WeakPolarHBondContact O-CB 3.44Å; A395-R398 PolarHBondContact O-N 3.26Å; A395-R398 VanDerWaalsContact O-N 3.1Å
396L87.5Confident84.5Confident56 Ų5671.6 Ų71.629%0.29335%0.345SS..Hα-helixtrans-64-32.6178.8-72.6173.3000112.9A377 I380 L392 K393 R398 F399A377-L396 HydrophobicContact CB-CD1 4.28Å; I380-L396 HydrophobicContact CD1-CD2 3.79Å; I380-L396 HydrophobicContact CD1-CG 4.42Å; L392-L396 HydrophobicContact CD1-CD1 4.03Å; L392-L396 HydrophobicContact CD1-CG 4.24Å; L392-L396 HydrophobicContact CG-CD1 4.04Å; L392-L396 WeakPolarHBondContact O-CB 3.32Å; L392-L396 WeakPolarHBondContact O-CG 3.41Å; L392-L396 PolarHBondContact O-N 2.93Å; K393-L396 PolarHBondContact O-N 2.92Å; L396-R398 PolarHBondContact O-N 2.89Å; L396-R398 VanDerWaalsContact O-N 3.11Å; L396-F399 WeakPolarHBondContact O-CB 3.48Å; L396-F399 PolarHBondContact O-N 3.2Å
397S83.8Confident84.8Confident82 Ų8269.1 Ų69.157%0.57333%0.334SS*.THydrogen-bonded Turntrans-62.9-15.9175.174.90000114.1K393 T394 A395K393-S397 WeakPolarHBondContact O-CB 3.49Å; K393-S397 PolarHBondContact O-N 2.86Å; T394-S397 PolarHBondContact O-N 2.78Å; T394-S397 PolarHBondContact O-OG 3.33Å; A395-S397 VanDerWaalsContact C-N 3.3Å; A395-S397 PolarHBondContact O-N 3.18Å
398R87.1Confident85Confident55 Ų5568.4 Ų68.421%0.20834%0.335CS..THydrogen-bonded Turntrans-89.7-4175.7-61.5171.6-177.6174.9-1.2112.4V350 G361 V362 A395 L396V350-R398 HydrophobicContact CB-CB 4.2Å; V350-R398 HydrophobicContact CG1-CB 4Å; V350-R398 WeakPolarHBondContact O-CD 3.43Å; V350-R398 PolarHBondContact O-NH1 3.45Å; G361-R398 CarbonylContact C-O 3.57Å; G361-R398 WeakPolarHBondContact CA-O 3.4Å; V362-R398 PolarHBondContact N-O 2.83Å; A395-R398 WeakPolarHBondContact O-CB 3.44Å; A395-R398 PolarHBondContact O-N 3.26Å; A395-R398 VanDerWaalsContact O-N 3.1Å; L396-R398 PolarHBondContact O-N 2.89Å; L396-R398 VanDerWaalsContact O-N 3.11Å
399F90.7Very high85.3Confident24 Ų2468.5 Ų68.511%0.10534%0.336CS..EExtended strand (participates in β ladder)trans-105.6118.7180-179.9-106.9000110.8I346 V350 V362 F364 F371 L373 L376 L396 Y401I346-F399 HydrophobicContact CD1-CE2 3.77Å; I346-F399 HydrophobicContact CD1-CZ 4.3Å; I346-F399 HydrophobicContact CG1-CE2 4.11Å; I346-F399 HydrophobicContact CG2-CD2 3.43Å; I346-F399 VanDerWaalsContact CG2-CD2 3.43Å; I346-F399 HydrophobicContact CG2-CE2 3.65Å; I346-F399 HydrophobicContact CG2-CG 4.27Å; V350-F399 HydrophobicContact CG1-CB 4.33Å; V362-F399 HydrophobicContact CB-CD2 3.98Å; V362-F399 HydrophobicContact CG1-CD2 4Å; V362-F399 HydrophobicContact CG1-CE2 4.16Å; F364-F399 HydrophobicContact CB-CD2 4.47Å; F364-F399 HydrophobicContact CB-CE2 3.44Å; F364-F399 VanDerWaalsContact CB-CE2 3.44Å; F364-F399 HydrophobicContact CB-CZ 3.57Å; F364-F399 HydrophobicContact CD1-CZ 4.18Å; F364-F399 HydrophobicContact CD2-CE2 4.07Å; F364-F399 HydrophobicContact CD2-CZ 4.21Å; F364-F399 AromaticContact CG-CE2 3.88Å; F364-F399 HydrophobicContact CG-CE2 3.88Å; F364-F399 AromaticContact CG-CZ 3.74Å; F364-F399 HydrophobicContact CG-CZ 3.74Å; F371-F399 HydrophobicContact CE1-CE1 4.46Å; F371-F399 AromaticContact CE1-CZ 3.98Å; F371-F399 HydrophobicContact CE1-CZ 3.98Å; L373-F399 HydrophobicContact CD2-CD1 4.41Å; L373-F399 HydrophobicContact CD2-CE1 3.58Å; L373-F399 HydrophobicContact CD2-CZ 4.44Å; L376-F399 HydrophobicContact CD2-CD1 3.71Å; L376-F399 HydrophobicContact CD2-CD2 4.18Å; L376-F399 HydrophobicContact CD2-CE1 3.7Å; L376-F399 HydrophobicContact CD2-CE2 4.18Å; L376-F399 HydrophobicContact CD2-CG 3.95Å; L376-F399 HydrophobicContact CD2-CZ 3.95Å; L396-F399 WeakPolarHBondContact O-CB 3.48Å; L396-F399 PolarHBondContact O-N 3.2Å; F399-Y401 HydrophobicContact CE1-CD2 4.16Å; F399-Y401 HydrophobicContact CE1-CG 4.41Å; F399-Y401 HydrophobicContact CZ-CD2 4.23Å
400H90.7Very high85.4Confident81 Ų8162.7 Ų62.738%0.37531%0.309SS..EExtended strand (participates in β ladder)trans-111.8115.1-179.7-74.1-114.6000109.5V362 L363 F364 F428V362-H400 PolarHBondContact O-N 3.28Å; L363-H400 HydrophobicContact CD2-CB 3.92Å; F364-H400 PolarHBondContact N-O 3.11Å; H400-F428 HydrophobicContact CB-CE1 4.19Å; H400-F428 AromaticContact CD2-CE1 3.32Å; H400-F428 WeakPolarHBondContact CD2-CE1 3.47Å; H400-F428 AromaticContact CD2-CZ 3.53Å; H400-F428 AromaticContact CE1-CZ 3.74Å; H400-F428 AromaticContact CG-CE1 3.7Å; H400-F428 AromaticContact CG-CZ 3.81Å; H400-F428 AromaticContact ND1-CZ 3.94Å; H400-F428 AromaticContact NE2-CE1 3.75Å; H400-F428 AromaticContact NE2-CZ 3.46Å; H400-F428 WeakPolarHBondContact NE2-CZ 3.4Å
401Y91.9Very high85.8Confident75 Ų7557.5 Ų57.529%0.29429%0.287SS..EExtended strand (participates in β ladder)trans-104.9126.5-174.6177.1-93.9000111.1F364 D366 F371 L373 F399 R403F364-Y401 AromaticContact CD1-CD2 3.66Å; F364-Y401 HydrophobicContact CD1-CD2 3.66Å; F364-Y401 AromaticContact CD1-CE2 3.93Å; F364-Y401 HydrophobicContact CD1-CE2 3.93Å; F364-Y401 HydrophobicContact CE1-CD2 4.22Å; F364-Y401 HydrophobicContact CE1-CE2 4.04Å; D366-Y401 HydrophobicContact CB-CE2 3.57Å; D366-Y401 WeakPolarHBondContact CB-OH 3.26Å; D366-Y401 PolarHBondContact OD2-OH 3.05Å; F371-Y401 HydrophobicContact CD1-CE2 4.42Å; L373-Y401 HydrophobicContact CD2-CD2 3.89Å; L373-Y401 HydrophobicContact CD2-CE2 4.34Å; L373-Y401 HydrophobicContact CD2-CG 4.14Å; F399-Y401 HydrophobicContact CE1-CD2 4.16Å; F399-Y401 HydrophobicContact CE1-CG 4.41Å; F399-Y401 HydrophobicContact CZ-CD2 4.23Å; Y401-R403 HydrophobicContact CE1-CB 3.89Å
402I90.2Very high85.8Confident27 Ų2758.6 Ų58.614%0.13829%0.293CS..EExtended strand (participates in β ladder)trans-120.7117.8177.1-58.9169.8000107.5F364 I365 D366 S413 L416 I417F364-I402 PolarHBondContact O-N 2.94Å; I365-I402 CarbonylContact C-O 3.58Å; I365-I402 WeakPolarHBondContact CA-O 3.34Å; D366-I402 PolarHBondContact N-O 3.25Å; I402-S413 WeakPolarHBondContact CG2-OG 3.29Å; I402-L416 HydrophobicContact CD1-CD2 4.14Å; I402-I417 HydrophobicContact CD1-CD1 4.24Å; I402-I417 HydrophobicContact CD1-CG1 4.04Å
403R88.3Confident86Confident143 Ų14357.7 Ų57.754%0.5429%0.289SS..EExtended strand (participates in β ladder)trans-90.1126.4174.1-173.9-180-178166.32.8109.5Q369 Y401Q369-R403 VanDerWaalsContact CD-NE 3.32Å; Q369-R403 HydrophobicContact CG-CG 4.14Å; Y401-R403 HydrophobicContact CE1-CB 3.89Å
404C85.8Confident86.2Confident0 Ų052 Ų520%026%0.264CS..  trans-97.2143.7170.9-64.70000110.1I365 D366 Q369 D409 L410 S413 Y439I365-C404 WeakPolarHBondContact CG2-SG 3.43Å; D366-C404 PolarHBondContact O-N 2.94Å; Q369-C404 PolarHBondContact NE2-O 2.84Å; C404-D409 HydrophobicContact CB-CB 4.14Å; C404-L410 HydrophobicContact CB-CB 4.39Å; C404-L410 VanDerWaalsContact SG-CA 3.56Å; C404-S413 PolarHBondContact SG-OG 3.09Å; C404-Y439 HydrophobicContact CB-CE2 4.02Å; C404-Y439 WeakPolarHBondContact CB-OH 3.09Å; C404-Y439 PolarHBondContact O-OH 3.43Å
405N86.1Confident86.4Confident101 Ų10153.1 Ų53.154%0.5427%0.268SS..SBendtrans-111.1-12.2172.6-54.9-62.5000112.8Q369 D409 Y439Q369-N405 PolarHBondContact NE2-OD1 2.78Å; N405-D409 WeakPolarHBondContact CA-OD2 3.26Å; N405-D409 VanDerWaalsContact CB-OD2 3.26Å; N405-D409 WeakPolarHBondContact CB-OD2 3.26Å; N405-D409 PolarHBondContact N-OD2 3.45Å; N405-Y439 WeakPolarHBondContact O-CE1 3.36Å
406S83.5Confident86.2Confident36 Ų3656.4 Ų56.425%0.25229%0.285SS..SBendtrans-148.7170.7-178.181.30000112.2D408 D409 L410 Y439S406-D408 VanDerWaalsContact C-N 3.27Å; S406-D408 PolarHBondContact O-N 3.4Å; S406-D408 PolarHBondContact OG-N 2.93Å; S406-D409 PolarHBondContact N-OD2 2.7Å; S406-D409 PolarHBondContact O-N 3.36Å; S406-D409 PolarHBondContact OG-N 2.93Å; S406-D409 PolarHBondContact OG-OD1 2.81Å; S406-L410 PolarHBondContact O-N 2.78Å; S406-L410 VanDerWaalsContact O-N 3.16Å; S406-Y439 WeakPolarHBondContact O-CE2 3.28Å
407A81.7Confident86.1Confident22 Ų2253.8 Ų53.818%0.18227%0.271CS..Hα-helixtrans-63.4-33.8171.200000112.5L410 M411 Y439 W440A407-L410 PolarHBondContact O-N 3.42Å; A407-M411 PolarHBondContact O-N 3.49Å; A407-Y439 HydrophobicContact CB-CG 4.29Å; A407-W440 HydrophobicContact CB-CZ2 3.68Å
408D81.3Confident86.1Confident114 Ų11450.5 Ų50.561%0.6125%0.248SC*.Hα-helixtrans-72.9-40.4178.9-66.6-33.9000110.4S406 L410 M411 H412S406-D408 VanDerWaalsContact C-N 3.27Å; S406-D408 PolarHBondContact O-N 3.4Å; S406-D408 PolarHBondContact OG-N 2.93Å; D408-L410 VanDerWaalsContact C-N 3.25Å; D408-L410 PolarHBondContact O-N 3.11Å; D408-M411 PolarHBondContact O-N 3.42Å; D408-M411 VanDerWaalsContact O-N 3.09Å; D408-H412 PolarHBondContact O-CD2 3.2Å; D408-H412 PolarHBondContact O-N 3.21Å
409D83.8Confident85.6Confident57 Ų5750.9 Ų50.931%0.30525%0.254SS..Hα-helixtrans-56.8-41.4172.7-64.715.3000111C404 N405 S406 H412 S413C404-D409 HydrophobicContact CB-CB 4.14Å; N405-D409 WeakPolarHBondContact CA-OD2 3.26Å; N405-D409 VanDerWaalsContact CB-OD2 3.26Å; N405-D409 WeakPolarHBondContact CB-OD2 3.26Å; N405-D409 PolarHBondContact N-OD2 3.45Å; S406-D409 PolarHBondContact N-OD2 2.7Å; S406-D409 PolarHBondContact O-N 3.36Å; S406-D409 PolarHBondContact OG-N 2.93Å; S406-D409 PolarHBondContact OG-OD1 2.81Å; D409-H412 PolarHBondContact O-N 3.25Å; D409-S413 WeakPolarHBondContact O-CB 3.31Å; D409-S413 PolarHBondContact O-N 3.21Å; D409-S413 PolarHBondContact O-OG 3.49Å
410L87Confident85.1Confident0 Ų051.6 Ų51.60%026%0.258CS..Hα-helixtrans-63.8-41.5177172.657000111.8I365 C404 S406 A407 D408 S413 F414 V433 Y439 W440 L454I365-L410 HydrophobicContact CD1-CD1 4.15Å; I365-L410 HydrophobicContact CG2-CD1 3.72Å; C404-L410 HydrophobicContact CB-CB 4.39Å; C404-L410 VanDerWaalsContact SG-CA 3.56Å; S406-L410 PolarHBondContact O-N 2.78Å; S406-L410 VanDerWaalsContact O-N 3.16Å; A407-L410 PolarHBondContact O-N 3.42Å; D408-L410 VanDerWaalsContact C-N 3.25Å; D408-L410 PolarHBondContact O-N 3.11Å; L410-S413 WeakPolarHBondContact O-CB 3.38Å; L410-S413 PolarHBondContact O-N 3.44Å; L410-F414 HydrophobicContact CD1-CD2 4.5Å; L410-F414 HydrophobicContact CD1-CE2 3.85Å; L410-F414 HydrophobicContact CG-CE2 4.32Å; L410-F414 WeakPolarHBondContact O-CD2 3.2Å; L410-F414 PolarHBondContact O-N 2.92Å; L410-V433 HydrophobicContact CD1-CG1 3.93Å; L410-Y439 HydrophobicContact CB-CE2 4.29Å; L410-Y439 HydrophobicContact CD2-CD2 4.22Å; L410-Y439 HydrophobicContact CD2-CE2 4.36Å; L410-W440 HydrophobicContact CD2-CH2 3.28Å; L410-W440 HydrophobicContact CD2-CZ2 4.44Å; L410-W440 HydrophobicContact CD2-CZ3 3.52Å; L410-W440 HydrophobicContact CG-CH2 4.22Å; L410-L454 HydrophobicContact CD1-CD1 4.46Å; L410-L454 HydrophobicContact CD2-CD1 3.91Å; L410-L454 HydrophobicContact CD2-CD2 4.23Å; L410-L454 HydrophobicContact CG-CD1 4.01Å
411M87Confident84.6Confident42 Ų4247.7 Ų47.721%0.20724%0.24CC..Hα-helixtrans-65.2-44.4175.2-69.6-60-53.200111.7A407 D408 S413 F414 R453 L454 R457A407-M411 PolarHBondContact O-N 3.49Å; D408-M411 PolarHBondContact O-N 3.42Å; D408-M411 VanDerWaalsContact O-N 3.09Å; M411-S413 PolarHBondContact O-N 2.95Å; M411-F414 WeakPolarHBondContact O-CB 3.17Å; M411-F414 PolarHBondContact O-N 2.84Å; M411-F414 VanDerWaalsContact O-N 3.14Å; M411-R453 HydrophobicContact CE-CG 4.23Å; M411-L454 HydrophobicContact SD-CD1 4.42Å; M411-R457 HydrophobicContact CE-CB 4.08Å; M411-R457 HydrophobicContact CE-CG 3.98Å
412H82.2Confident83.7Confident114 Ų11450.4 Ų50.453%0.52826%0.256SS..Hα-helixtrans-63-31.1175.1-71.4-47.4000113D408 D409 F414 D415 L416D408-H412 PolarHBondContact O-CD2 3.2Å; D408-H412 PolarHBondContact O-N 3.21Å; D409-H412 PolarHBondContact O-N 3.25Å; H412-F414 PolarHBondContact O-N 2.94Å; H412-D415 IonicContact ND1-OD2 3.75Å; H412-D415 WeakPolarHBondContact O-CB 3.35Å; H412-D415 PolarHBondContact O-N 3.29Å; H412-D415 VanDerWaalsContact O-N 3.1Å; H412-L416 PolarHBondContact O-N 3.33Å
413S87.3Confident82.7Confident10 Ų1054 Ų547%0.0727%0.267CS..Hα-helixtrans-63.3-31.4175.8-60.60000112.1I402 C404 D409 L410 M411 I417I402-S413 WeakPolarHBondContact CG2-OG 3.29Å; C404-S413 PolarHBondContact SG-OG 3.09Å; D409-S413 WeakPolarHBondContact O-CB 3.31Å; D409-S413 PolarHBondContact O-N 3.21Å; D409-S413 PolarHBondContact O-OG 3.49Å; L410-S413 WeakPolarHBondContact O-CB 3.38Å; L410-S413 PolarHBondContact O-N 3.44Å; M411-S413 PolarHBondContact O-N 2.95Å; S413-I417 WeakPolarHBondContact O-CB 3.41Å; S413-I417 WeakPolarHBondContact O-CD1 3.2Å; S413-I417 WeakPolarHBondContact O-CG1 3.35Å; S413-I417 PolarHBondContact O-N 3.24Å
414F88.9Confident82Confident0 Ų049.2 Ų49.20%025%0.254CS..Hα-helixtrans-69.8-36.1172.2-75.6-78.3000112.9I365 L410 M411 H412 L416 I417 D418 L431 V433 L454 R457 F458 A461I365-F414 HydrophobicContact CD1-CE2 4.46Å; I365-F414 HydrophobicContact CD1-CZ 4.38Å; L410-F414 HydrophobicContact CD1-CD2 4.5Å; L410-F414 HydrophobicContact CD1-CE2 3.85Å; L410-F414 HydrophobicContact CG-CE2 4.32Å; L410-F414 WeakPolarHBondContact O-CD2 3.2Å; L410-F414 PolarHBondContact O-N 2.92Å; M411-F414 WeakPolarHBondContact O-CB 3.17Å; M411-F414 PolarHBondContact O-N 2.84Å; M411-F414 VanDerWaalsContact O-N 3.14Å; H412-F414 PolarHBondContact O-N 2.94Å; F414-L416 VanDerWaalsContact C-N 3.35Å; F414-I417 PolarHBondContact O-N 3.06Å; F414-D418 PolarHBondContact O-N 3Å; F414-L431 HydrophobicContact CE1-CD2 4.11Å; F414-V433 HydrophobicContact CE1-CG2 4.46Å; F414-V433 HydrophobicContact CZ-CG2 3.94Å; F414-L454 HydrophobicContact CD2-CD1 4.43Å; F414-L454 HydrophobicContact CE2-CD1 3.46Å; F414-L454 VanDerWaalsContact CE2-CD1 3.46Å; F414-L454 HydrophobicContact CZ-CD1 4.04Å; F414-R457 HydrophobicContact CB-CG 3.53Å; F414-R457 HydrophobicContact CD1-CG 3.97Å; F414-R457 HydrophobicContact CD2-CB 4.41Å; F414-R457 HydrophobicContact CD2-CG 3.72Å; F414-R457 HydrophobicContact CE2-CG 4.43Å; F414-R457 HydrophobicContact CG-CB 4.45Å; F414-R457 HydrophobicContact CG-CG 3.46Å; F414-R457 VanDerWaalsContact CG-CG 3.46Å; F414-R457 PolarHBondContact O-NH2 2.61Å; F414-F458 HydrophobicContact CE1-CB 4.02Å; F414-F458 AromaticContact CE1-CD2 3.96Å; F414-F458 HydrophobicContact CE1-CD2 3.96Å; F414-F458 HydrophobicContact CE1-CG 4.48Å; F414-F458 HydrophobicContact CZ-CB 3.9Å; F414-F458 HydrophobicContact CZ-CD2 4.01Å; F414-F458 HydrophobicContact CZ-CG 4.48Å; F414-A461 HydrophobicContact CD1-CB 4.07Å; F414-A461 HydrophobicContact CE1-CB 4.43Å
415D83.9Confident81.3Confident72 Ų7250.6 Ų50.639%0.38526%0.263SS..Hα-helixtrans-64.9-43.8176-56.8-27.1000110H412 I417 D418 D419 R457H412-D415 IonicContact ND1-OD2 3.75Å; H412-D415 WeakPolarHBondContact O-CB 3.35Å; H412-D415 PolarHBondContact O-N 3.29Å; H412-D415 VanDerWaalsContact O-N 3.1Å; D415-I417 VanDerWaalsContact C-N 3.33Å; D415-I417 PolarHBondContact O-N 3.32Å; D415-D418 PolarHBondContact O-N 2.8Å; D415-D419 PolarHBondContact O-N 3.25Å; D415-R457 IonicContact OD1-CZ 3.71Å; D415-R457 IonicContact OD1-NE 3.01Å; D415-R457 IonicContact OD1-NH2 2.67Å; D415-R457 PolarHBondContact OD1-NH2 2.91Å
416L81.6Confident80.8Confident74 Ų7447.5 Ų47.539%0.38725%0.247SC..Hα-helixtrans-59.1-42.3172.3177.662.9000112.3I402 H412 F414 D419 I420I402-L416 HydrophobicContact CD1-CD2 4.14Å; H412-L416 PolarHBondContact O-N 3.33Å; F414-L416 VanDerWaalsContact C-N 3.35Å; L416-D419 PolarHBondContact O-N 2.9Å; L416-I420 HydrophobicContact CD1-CD1 4.26Å; L416-I420 HydrophobicContact CD1-CG1 4.48Å; L416-I420 HydrophobicContact CG-CD1 4.01Å; L416-I420 VanDerWaalsContact O-CG1 3.29Å; L416-I420 WeakPolarHBondContact O-CG1 3.32Å; L416-I420 PolarHBondContact O-N 3.37Å
417I86.2Confident80.7Confident0 Ų050 Ų500%026%0.256CS..Hα-helixtrans-63.4-43.5177.4-78.3163.1000111.4L363 I365 I402 S413 F414 D415 D419 I420 L421 L431L363-I417 HydrophobicContact CD1-CG1 4.22Å; L363-I417 HydrophobicContact CD1-CG2 3.84Å; I365-I417 HydrophobicContact CD1-CD1 3.37Å; I365-I417 HydrophobicContact CG1-CD1 3.75Å; I402-I417 HydrophobicContact CD1-CD1 4.24Å; I402-I417 HydrophobicContact CD1-CG1 4.04Å; S413-I417 WeakPolarHBondContact O-CB 3.41Å; S413-I417 WeakPolarHBondContact O-CD1 3.2Å; S413-I417 WeakPolarHBondContact O-CG1 3.35Å; S413-I417 PolarHBondContact O-N 3.24Å; F414-I417 PolarHBondContact O-N 3.06Å; D415-I417 VanDerWaalsContact C-N 3.33Å; D415-I417 PolarHBondContact O-N 3.32Å; I417-D419 VanDerWaalsContact C-N 3.29Å; I417-D419 PolarHBondContact O-N 2.55Å; I417-I420 PolarHBondContact O-N 3.31Å; I417-L421 HydrophobicContact CG2-CD1 3.4Å; I417-L421 VanDerWaalsContact CG2-CD1 3.4Å; I417-L421 HydrophobicContact CG2-CG 4.2Å; I417-L421 WeakPolarHBondContact O-CB 3.35Å; I417-L421 VanDerWaalsContact O-CG 3.23Å; I417-L421 WeakPolarHBondContact O-CG 3.39Å; I417-L421 PolarHBondContact O-N 3.23Å; I417-L431 HydrophobicContact CD1-CD1 3.57Å
418D82.2Confident81Confident14 Ų1449.3 Ų49.38%0.07525%0.249CC..Hα-helixtrans-60-42.6176.6-81.5-14.4000111.3F414 D415 L421 Q422 R457 H465F414-D418 PolarHBondContact O-N 3Å; D415-D418 PolarHBondContact O-N 2.8Å; D418-L421 PolarHBondContact O-N 3.07Å; D418-Q422 WeakPolarHBondContact O-CB 3.44Å; D418-Q422 WeakPolarHBondContact O-CG 3.44Å; D418-Q422 PolarHBondContact O-N 2.74Å; D418-R457 IonicContact OD2-CZ 3.49Å; D418-R457 IonicContact OD2-NH1 2.62Å; D418-R457 PolarHBondContact OD2-NH1 2.86Å; D418-R457 IonicContact OD2-NH2 2.75Å; D418-R457 PolarHBondContact OD2-NH2 2.78Å; D418-H465 IonicContact OD1-CD2 3.13Å; D418-H465 PolarHBondContact OD1-CD2 2.9Å; D418-H465 IonicContact OD1-CE1 2.86Å; D418-H465 IonicContact OD1-NE2 3.71Å; D418-H465 PolarHBondContact OD1-NE2 3.01Å
419D77.2Confident81.3Confident62 Ų6244.3 Ų44.333%0.33222%0.223SC..Hα-helixtrans-62.5-45.4176.3-75-13.2000111.9D415 L416 I417 L421 R423D415-D419 PolarHBondContact O-N 3.25Å; L416-D419 PolarHBondContact O-N 2.9Å; I417-D419 VanDerWaalsContact C-N 3.29Å; I417-D419 PolarHBondContact O-N 2.55Å; D419-L421 VanDerWaalsContact C-N 3.34Å; D419-L421 PolarHBondContact O-N 3.08Å; D419-R423 VanDerWaalsContact O-CD 3.31Å; D419-R423 WeakPolarHBondContact O-CD 3.25Å; D419-R423 WeakPolarHBondContact O-CG 3.19Å; D419-R423 PolarHBondContact O-N 2.95Å
420I79.5Confident81.8Confident39 Ų3941.6 Ų41.620%0.221%0.209CC..Hα-helixtrans-58.6-47.8176.3-70166.2000110.2L363 L416 I417 R423 T424 F428L363-I420 HydrophobicContact CD2-CD1 4.44Å; L363-I420 HydrophobicContact CD2-CG2 4.41Å; L416-I420 HydrophobicContact CD1-CD1 4.26Å; L416-I420 HydrophobicContact CD1-CG1 4.48Å; L416-I420 HydrophobicContact CG-CD1 4.01Å; L416-I420 VanDerWaalsContact O-CG1 3.29Å; L416-I420 WeakPolarHBondContact O-CG1 3.32Å; L416-I420 PolarHBondContact O-N 3.37Å; I417-I420 PolarHBondContact O-N 3.31Å; I420-R423 PolarHBondContact O-N 2.89Å; I420-T424 PolarHBondContact O-N 3.36Å; I420-T424 PolarHBondContact O-OG1 2.95Å; I420-F428 HydrophobicContact CG2-CD2 4.04Å; I420-F428 HydrophobicContact CG2-CE2 3.43Å; I420-F428 VanDerWaalsContact CG2-CE2 3.43Å; I420-F428 HydrophobicContact CG2-CZ 4.03Å
421L81.1Confident82.2Confident0 Ų041.6 Ų41.60%021%0.209CC..Hα-helixtrans-74.4-31.5-174.8-68.2168.5000113.1L363 I417 D418 D419 R423 T424 P425 F428 H465 L467L363-L421 HydrophobicContact CD1-CD1 4.02Å; L363-L421 HydrophobicContact CD1-CD2 3.93Å; L363-L421 HydrophobicContact CD1-CG 4Å; I417-L421 HydrophobicContact CG2-CD1 3.4Å; I417-L421 VanDerWaalsContact CG2-CD1 3.4Å; I417-L421 HydrophobicContact CG2-CG 4.2Å; I417-L421 WeakPolarHBondContact O-CB 3.35Å; I417-L421 VanDerWaalsContact O-CG 3.23Å; I417-L421 WeakPolarHBondContact O-CG 3.39Å; I417-L421 PolarHBondContact O-N 3.23Å; D418-L421 PolarHBondContact O-N 3.07Å; D419-L421 VanDerWaalsContact C-N 3.34Å; D419-L421 PolarHBondContact O-N 3.08Å; L421-R423 PolarHBondContact O-N 3.29Å; L421-T424 CarbonylContact O-C 3.51Å; L421-T424 PolarHBondContact O-N 2.81Å; L421-P425 WeakPolarHBondContact O-CA 3.4Å; L421-P425 WeakPolarHBondContact O-CB 3.46Å; L421-P425 WeakPolarHBondContact O-CD 3.46Å; L421-F428 HydrophobicContact CD2-CB 3.64Å; L421-F428 HydrophobicContact CD2-CD2 3.98Å; L421-F428 HydrophobicContact CD2-CG 4.12Å; L421-H465 HydrophobicContact CB-CB 4.28Å; L421-H465 WeakPolarHBondContact CB-ND1 3.42Å; L421-H465 HydrophobicContact CD1-CB 3.73Å; L421-H465 WeakPolarHBondContact CD1-CD2 3.36Å; L421-H465 VanDerWaalsContact CD1-CG 3.48Å; L421-H465 HydrophobicContact CG-CB 4.42Å; L421-L467 HydrophobicContact CD1-CD1 3.61Å; L421-L467 HydrophobicContact CD2-CD1 4.25Å; L421-L467 HydrophobicContact CD2-CD2 4.27Å
422Q72.9Confident82.7Confident132 Ų13239.6 Ų39.662%0.61720%0.199SC*.Hα-helixtrans-62.1-36.3171-77.4177.43000111.6D418D418-Q422 WeakPolarHBondContact O-CB 3.44Å; D418-Q422 WeakPolarHBondContact O-CG 3.44Å; D418-Q422 PolarHBondContact O-N 2.74Å
423R69.4Low83.4Confident102 Ų10234.1 Ų34.139%0.38517%0.174SC..Hα-helixtrans-83-33.1-179.9-62.6165.9-165.3-163.311.4112.6D28 D419 I420 L421 P425D28-R423 WeakPolarHBondContact OD1-CD 3.15Å; D28-R423 IonicContact OD1-CZ 3.53Å; D28-R423 IonicContact OD1-NE 2.71Å; D28-R423 PolarHBondContact OD1-NE 3.15Å; D28-R423 IonicContact OD1-NH1 2.77Å; D28-R423 PolarHBondContact OD1-NH1 2.92Å; D28-R423 IonicContact OD1-NH2 2.69Å; D28-R423 IonicContact OD2-CZ 3.26Å; D28-R423 VanDerWaalsContact OD2-CZ 3.27Å; D28-R423 IonicContact OD2-NE 3.95Å; D28-R423 PolarHBondContact OD2-NE 3.05Å; D28-R423 IonicContact OD2-NH1 3.15Å; D28-R423 IonicContact OD2-NH2 2.74Å; D419-R423 VanDerWaalsContact O-CD 3.31Å; D419-R423 WeakPolarHBondContact O-CD 3.25Å; D419-R423 WeakPolarHBondContact O-CG 3.19Å; D419-R423 PolarHBondContact O-N 2.95Å; I420-R423 PolarHBondContact O-N 2.89Å; L421-R423 PolarHBondContact O-N 3.29Å; R423-P425 VanDerWaalsContact C-CD 3.49Å
424T72.8Confident83.7Confident43 Ų4333.8 Ų33.826%0.26417%0.171SC..  trans-132.455.6-172.960.30000112.7I420 L421 N426 L427 F428I420-T424 PolarHBondContact O-N 3.36Å; I420-T424 PolarHBondContact O-OG1 2.95Å; L421-T424 CarbonylContact O-C 3.51Å; L421-T424 PolarHBondContact O-N 2.81Å; T424-N426 PolarHBondContact O-N 2.93Å; T424-L427 HydrophobicContact CG2-CD1 3.73Å; T424-L427 HydrophobicContact CG2-CG 4.46Å; T424-L427 PolarHBondContact O-N 3.09Å; T424-L427 VanDerWaalsContact O-N 3.09Å; T424-F428 WeakPolarHBondContact OG1-CE2 3.29Å
425P71.9Confident83.8Confident29 Ų2934 Ų3419%0.18817%0.172CC..THydrogen-bonded Turntrans-59.2-29.1-166.621.5-33000113.1S302 K307 L421 R423S302-P425 WeakPolarHBondContact OG-CG 3.35Å; K307-P425 WeakPolarHBondContact CE-O 3.49Å; K307-P425 PolarHBondContact NZ-O 3.49Å; L421-P425 WeakPolarHBondContact O-CA 3.4Å; L421-P425 WeakPolarHBondContact O-CB 3.46Å; L421-P425 WeakPolarHBondContact O-CD 3.46Å; R423-P425 VanDerWaalsContact C-CD 3.49Å
426N75.9Confident84.1Confident36 Ų3630.6 Ų30.619%0.19315%0.154CC..THydrogen-bonded Turntrans-102.92.7-175.5-59.5-26.7000115S305 L358 T424S305-N426 PolarHBondContact OG-ND2 2.85Å; S305-N426 PolarHBondContact OG-OD1 3.09Å; L358-N426 HydrophobicContact CD2-CB 3.45Å; L358-N426 VanDerWaalsContact CD2-CB 3.45Å; T424-N426 PolarHBondContact O-N 2.93Å
427L80.2Confident84.2Confident87 Ų8727 Ų2746%0.45514%0.135SC..THydrogen-bonded Turntrans-83.9-20.6177-68.8-174.1000112.9G361 T424G361-L427 WeakPolarHBondContact CA-O 3.47Å; G361-L427 PolarHBondContact N-O 3.42Å; T424-L427 HydrophobicContact CG2-CD1 3.73Å; T424-L427 HydrophobicContact CG2-CG 4.46Å; T424-L427 PolarHBondContact O-N 3.09Å; T424-L427 VanDerWaalsContact O-N 3.09Å
428F87.8Confident84.1Confident8 Ų830.9 Ų30.94%0.03515%0.15CC..EExtended strand (participates in β ladder)trans-120.7138.4-175.2-62.9-81.5000111.1K307 G361 L363 H400 I420 L421 T424 L467K307-F428 WeakPolarHBondContact CE-O 3.39Å; K307-F428 PolarHBondContact NZ-O 2.69Å; G361-F428 WeakPolarHBondContact O-CA 3.39Å; L363-F428 HydrophobicContact CD1-CB 4.28Å; L363-F428 HydrophobicContact CD1-CD1 4.21Å; L363-F428 HydrophobicContact CD1-CG 4.11Å; L363-F428 HydrophobicContact CD2-CD1 3.88Å; L363-F428 HydrophobicContact CD2-CE1 3.65Å; L363-F428 HydrophobicContact CD2-CG 4.38Å; L363-F428 HydrophobicContact CD2-CZ 4Å; L363-F428 HydrophobicContact CG-CB 4.45Å; L363-F428 HydrophobicContact CG-CD1 3.57Å; L363-F428 HydrophobicContact CG-CE1 3.89Å; L363-F428 HydrophobicContact CG-CG 3.98Å; H400-F428 HydrophobicContact CB-CE1 4.19Å; H400-F428 AromaticContact CD2-CE1 3.32Å; H400-F428 WeakPolarHBondContact CD2-CE1 3.47Å; H400-F428 AromaticContact CD2-CZ 3.53Å; H400-F428 AromaticContact CE1-CZ 3.74Å; H400-F428 AromaticContact CG-CE1 3.7Å; H400-F428 AromaticContact CG-CZ 3.81Å; H400-F428 AromaticContact ND1-CZ 3.94Å; H400-F428 AromaticContact NE2-CE1 3.75Å; H400-F428 AromaticContact NE2-CZ 3.46Å; H400-F428 WeakPolarHBondContact NE2-CZ 3.4Å; I420-F428 HydrophobicContact CG2-CD2 4.04Å; I420-F428 HydrophobicContact CG2-CE2 3.43Å; I420-F428 VanDerWaalsContact CG2-CE2 3.43Å; I420-F428 HydrophobicContact CG2-CZ 4.03Å; L421-F428 HydrophobicContact CD2-CB 3.64Å; L421-F428 HydrophobicContact CD2-CD2 3.98Å; L421-F428 HydrophobicContact CD2-CG 4.12Å; T424-F428 WeakPolarHBondContact OG1-CE2 3.29Å; F428-L467 HydrophobicContact CB-CD2 4.3Å; F428-L467 WeakPolarHBondContact O-CD2 3.22Å
429S88.8Confident84Confident9 Ų932 Ų326%0.06315%0.154CC..EExtended strand (participates in β ladder)trans-126.7-13.6179.951.80000113K360 G361 V468K360-S429 WeakPolarHBondContact CA-OG 3.1Å; K360-S429 VanDerWaalsContact CB-OG 3.29Å; K360-S429 WeakPolarHBondContact CB-OG 3.39Å; G361-S429 PolarHBondContact O-N 2.97Å; S429-V468 PolarHBondContact O-N 2.92Å
430L93.7Very high83.7Confident0 Ų030.3 Ų30.30%014%0.143CC..EExtended strand (participates in β ladder)trans-134.3129.2-174.6-17860.8000110.9L310 I345 C349 G361 V362 L363 I432 V468 V470L310-L430 HydrophobicContact CD1-CB 3.94Å; L310-L430 HydrophobicContact CD1-CD1 4.1Å; L310-L430 HydrophobicContact CD1-CG 4.42Å; I345-L430 HydrophobicContact CG2-CD2 3.67Å; C349-L430 HydrophobicContact CB-CD2 4.01Å; G361-L430 PolarHBondContact O-N 3.15Å; V362-L430 WeakPolarHBondContact CA-O 3.14Å; V362-L430 HydrophobicContact CG1-CB 4.39Å; V362-L430 HydrophobicContact CG1-CD2 4.02Å; V362-L430 HydrophobicContact CG1-CG 4.19Å; V362-L430 HydrophobicContact CG2-CB 4.19Å; V362-L430 HydrophobicContact CG2-CD2 3.95Å; L363-L430 PolarHBondContact N-O 3.48Å; L430-I432 HydrophobicContact CD1-CG1 4.29Å; L430-I432 HydrophobicContact CD2-CD1 3.88Å; L430-I432 HydrophobicContact CD2-CG1 4.08Å; L430-I432 HydrophobicContact CG-CD1 4.26Å; L430-I432 HydrophobicContact CG-CG1 3.87Å; L430-V468 WeakPolarHBondContact CA-O 3.29Å; L430-V468 HydrophobicContact CD1-CB 3.95Å; L430-V468 HydrophobicContact CD1-CG1 3.85Å; L430-V468 WeakPolarHBondContact CD1-O 3.3Å; L430-V470 HydrophobicContact CD1-CG2 3.73Å
431L96.2Very high83.1Confident0 Ų029.5 Ų29.50%014%0.137CC..EExtended strand (participates in β ladder)trans-114.7125.1168.317260.2000109.3L363 I365 F414 I417 F458 A461 V462 L467 V468 G469 V470L363-L431 HydrophobicContact CB-CD1 3.84Å; L363-L431 CarbonylContact O-C 3.53Å; L363-L431 WeakPolarHBondContact O-CA 3.44Å; I365-L431 HydrophobicContact CD1-CD1 4.41Å; I365-L431 HydrophobicContact CG1-CD1 4.4Å; F414-L431 HydrophobicContact CE1-CD2 4.11Å; I417-L431 HydrophobicContact CD1-CD1 3.57Å; L431-F458 HydrophobicContact CD2-CD2 4.2Å; L431-F458 HydrophobicContact CD2-CE2 4.15Å; L431-F458 HydrophobicContact CG-CE2 4.15Å; L431-A461 HydrophobicContact CD2-CB 4.03Å; L431-V462 HydrophobicContact CD2-CG2 4.33Å; L431-L467 HydrophobicContact CB-CD1 3.89Å; L431-V468 PolarHBondContact N-O 3.39Å; L431-G469 CarbonylContact O-C 3.51Å; L431-G469 WeakPolarHBondContact O-CA 3.47Å; L431-V470 PolarHBondContact O-N 2.82Å
432I97.3Very high82.1Confident0 Ų035.6 Ų35.60%017%0.166CC..EExtended strand (participates in β ladder)trans-116.6132.4176.4-49.5-166.5000109.7L342 I345 I346 V362 L363 F364 I365 L430 V470L342-I432 HydrophobicContact CD2-CD1 4.28Å; L342-I432 HydrophobicContact CD2-CG2 3.67Å; I345-I432 HydrophobicContact CG2-CD1 4.35Å; I346-I432 HydrophobicContact CD1-CD1 4.12Å; I346-I432 HydrophobicContact CG1-CD1 3.56Å; V362-I432 HydrophobicContact CG1-CD1 4.18Å; V362-I432 HydrophobicContact CG1-CG1 4.2Å; L363-I432 PolarHBondContact O-N 3.34Å; F364-I432 HydrophobicContact CD2-CB 3.64Å; F364-I432 HydrophobicContact CD2-CD1 4.07Å; F364-I432 HydrophobicContact CD2-CG1 4.29Å; F364-I432 HydrophobicContact CD2-CG2 3.68Å; F364-I432 HydrophobicContact CE2-CB 4.16Å; F364-I432 HydrophobicContact CE2-CD1 4.46Å; F364-I432 HydrophobicContact CE2-CG2 3.64Å; F364-I432 HydrophobicContact CG-CB 4.45Å; I365-I432 PolarHBondContact N-O 2.8Å; L430-I432 HydrophobicContact CD1-CG1 4.29Å; L430-I432 HydrophobicContact CD2-CD1 3.88Å; L430-I432 HydrophobicContact CD2-CG1 4.08Å; L430-I432 HydrophobicContact CG-CD1 4.26Å; L430-I432 HydrophobicContact CG-CG1 3.87Å; I432-V470 CarbonylContact C-O 3.57Å; I432-V470 VanDerWaalsContact CA-O 3.22Å; I432-V470 WeakPolarHBondContact CA-O 3.48Å; I432-V470 HydrophobicContact CB-CB 4.5Å; I432-V470 HydrophobicContact CG1-CB 4.12Å; I432-V470 HydrophobicContact CG2-CB 4.3Å; I432-V470 HydrophobicContact CG2-CG1 4.35Å
433V96.3Very high81.6Confident0 Ų033.7 Ų33.70%016%0.16CC..EExtended strand (participates in β ladder)trans-118.4106.6166.6-173.50000109.2I365 L410 F414 V436 F458 V470 F471 T472I365-V433 HydrophobicContact CB-CG1 4.36Å; I365-V433 HydrophobicContact CB-CG2 4.31Å; I365-V433 HydrophobicContact CD1-CG2 3.89Å; I365-V433 HydrophobicContact CG1-CG2 4.32Å; L410-V433 HydrophobicContact CD1-CG1 3.93Å; F414-V433 HydrophobicContact CE1-CG2 4.46Å; F414-V433 HydrophobicContact CZ-CG2 3.94Å; V433-V436 HydrophobicContact CB-CG1 4.01Å; V433-V436 HydrophobicContact CG1-CG1 3.64Å; V433-F458 HydrophobicContact CG2-CD2 3.73Å; V433-F458 HydrophobicContact CG2-CE2 3.82Å; V433-V470 PolarHBondContact N-O 3.1Å; V433-F471 HydrophobicContact CB-CB 4.34Å; V433-F471 VanDerWaalsContact O-CA 3.22Å; V433-F471 WeakPolarHBondContact O-CA 3.3Å; V433-T472 PolarHBondContact O-N 3.2Å
434D94.3Very high81.2Confident3 Ų330.5 Ų30.52%0.01615%0.152CC..EExtended strand (participates in β ladder)trans-80.6124.4179.6-166.424.4000110.9L342 F364 I365 C367 T472L342-D434 HydrophobicContact CD1-CB 4.07Å; L342-D434 WeakPolarHBondContact CD1-OD1 3.43Å; F364-D434 HydrophobicContact CE1-CB 4.13Å; F364-D434 HydrophobicContact CE2-CB 4.33Å; F364-D434 HydrophobicContact CZ-CB 3.63Å; I365-D434 PolarHBondContact O-N 3.27Å; C367-D434 WeakPolarHBondContact CB-O 3.22Å; C367-D434 PolarHBondContact N-O 2.88Å; C367-D434 PolarHBondContact SG-O 2.94Å; D434-T472 WeakPolarHBondContact OD1-CG2 3.42Å; D434-T472 PolarHBondContact OD1-OG1 3.1Å
435D90.3Very high80.9Confident3 Ų332.5 Ų32.52%0.01617%0.173CC..  trans56.569.2178.9-147.5-37.9000114.7R338 C367 A368 S437 Y438 T472R338-D435 IonicContact CZ-OD2 3.17Å; R338-D435 IonicContact NH1-OD2 2.87Å; R338-D435 PolarHBondContact NH1-OD2 2.76Å; R338-D435 IonicContact NH2-OD2 3.55Å; R338-D435 PolarHBondContact NH2-OD2 3.23Å; C367-D435 WeakPolarHBondContact CB-O 3.34Å; A368-D435 HydrophobicContact CB-CB 3.76Å; D435-S437 PolarHBondContact O-N 3.06Å; D435-S437 PolarHBondContact OD1-N 2.97Å; D435-S437 PolarHBondContact OD1-OG 3.45Å; D435-Y438 WeakPolarHBondContact O-CB 3.44Å; D435-Y438 PolarHBondContact O-N 3.1Å; D435-Y438 PolarHBondContact OD1-N 2.81Å; D435-T472 CarbonylContact C-O 3.56Å; D435-T472 VanDerWaalsContact CA-O 3.26Å; D435-T472 WeakPolarHBondContact CA-O 3.35Å; D435-T472 PolarHBondContact N-O 3.46Å; D435-T472 PolarHBondContact N-OG1 2.99Å
436V90Very high80.9Confident1 Ų135.2 Ų35.21%0.00619%0.186CC..THydrogen-bonded Turntrans-60.7-13174.5-60.70000113.4V433 W440 Q451 L454 F471 T472 R473 W497V433-V436 HydrophobicContact CB-CG1 4.01Å; V433-V436 HydrophobicContact CG1-CG1 3.64Å; V436-W440 VanDerWaalsContact O-CZ3 3.22Å; V436-W440 WeakPolarHBondContact O-CZ3 3.47Å; V436-Q451 PolarHBondContact O-NE2 3Å; V436-L454 HydrophobicContact CB-CD2 3.8Å; V436-L454 HydrophobicContact CG1-CD2 4.14Å; V436-F471 HydrophobicContact CG1-CB 3.79Å; V436-F471 HydrophobicContact CG1-CD2 4.07Å; V436-F471 HydrophobicContact CG1-CG 4.27Å; V436-F471 HydrophobicContact CG2-CD2 3.74Å; V436-F471 HydrophobicContact CG2-CE2 4.23Å; V436-T472 WeakPolarHBondContact CG2-O 3.33Å; V436-T472 PolarHBondContact N-O 3.13Å; V436-R473 HydrophobicContact CG2-CB 4.46Å; V436-W497 HydrophobicContact CB-CH2 4.5Å; V436-W497 HydrophobicContact CB-CZ2 3.85Å; V436-W497 HydrophobicContact CG1-CH2 4.01Å; V436-W497 HydrophobicContact CG1-CZ2 3.86Å; V436-W497 HydrophobicContact CG2-CH2 4.46Å; V436-W497 HydrophobicContact CG2-CZ2 3.74Å
437S85.1Confident81Confident0 Ų033.6 Ų33.60%018%0.177CC..THydrogen-bonded Turntrans-81.8-16.6175.533.10000113.6D435 Y439 W440 W441 H474D435-S437 PolarHBondContact O-N 3.06Å; D435-S437 PolarHBondContact OD1-N 2.97Å; D435-S437 PolarHBondContact OD1-OG 3.45Å; S437-Y439 PolarHBondContact O-N 2.87Å; S437-W440 PolarHBondContact O-N 2.99Å; S437-W441 PolarHBondContact O-NE1 2.79Å; S437-H474 PolarHBondContact OG-N 2.88Å
438Y84.1Confident80.9Confident80 Ų8033.4 Ų33.431%0.31417%0.171SC..THydrogen-bonded Turntrans-58.8-47-161.9-170.2-106.3000115.4C367 D435C367-Y438 WeakPolarHBondContact O-CD1 3.29Å; C367-Y438 WeakPolarHBondContact O-CE1 3.38Å; D435-Y438 WeakPolarHBondContact O-CB 3.44Å; D435-Y438 PolarHBondContact O-N 3.1Å; D435-Y438 PolarHBondContact OD1-N 2.81Å
439Y79.2Confident80.4Confident39 Ų3935.7 Ų35.715%0.15319%0.188CC..THydrogen-bonded Turntrans-86.7-9.5-172.4-57-65.8000115.6C367 C404 N405 S406 A407 L410 S437C367-Y439 WeakPolarHBondContact CA-OH 3.32Å; C367-Y439 HydrophobicContact CB-CD2 4.33Å; C367-Y439 HydrophobicContact CB-CE2 3.56Å; C367-Y439 PolarHBondContact O-OH 3.1Å; C367-Y439 VanDerWaalsContact O-OH 3.05Å; C404-Y439 HydrophobicContact CB-CE2 4.02Å; C404-Y439 WeakPolarHBondContact CB-OH 3.09Å; C404-Y439 PolarHBondContact O-OH 3.43Å; N405-Y439 WeakPolarHBondContact O-CE1 3.36Å; S406-Y439 WeakPolarHBondContact O-CE2 3.28Å; A407-Y439 HydrophobicContact CB-CG 4.29Å; L410-Y439 HydrophobicContact CB-CE2 4.29Å; L410-Y439 HydrophobicContact CD2-CD2 4.22Å; L410-Y439 HydrophobicContact CD2-CE2 4.36Å; S437-Y439 PolarHBondContact O-N 2.87Å
440W71.6Confident80.2Confident25 Ų2536.9 Ų36.910%0.09520%0.195CC..  trans-114.544.6-166.4-64.8-75.7000113.9A407 L410 V436 S437 I447 C450 L454A407-W440 HydrophobicContact CB-CZ2 3.68Å; L410-W440 HydrophobicContact CD2-CH2 3.28Å; L410-W440 HydrophobicContact CD2-CZ2 4.44Å; L410-W440 HydrophobicContact CD2-CZ3 3.52Å; L410-W440 HydrophobicContact CG-CH2 4.22Å; V436-W440 VanDerWaalsContact O-CZ3 3.22Å; V436-W440 WeakPolarHBondContact O-CZ3 3.47Å; S437-W440 PolarHBondContact O-N 2.99Å; W440-I447 WeakPolarHBondContact O-CD1 3.32Å; W440-I447 WeakPolarHBondContact O-CG1 3.3Å; W440-C450 VanDerWaalsContact CD1-CB 3.43Å; W440-C450 HydrophobicContact CG-CB 4.16Å; W440-L454 HydrophobicContact CE3-CD2 4.46Å; W440-L454 HydrophobicContact CH2-CB 4.29Å; W440-L454 HydrophobicContact CH2-CD1 4.14Å; W440-L454 HydrophobicContact CH2-CD2 3.53Å; W440-L454 HydrophobicContact CH2-CG 4.2Å; W440-L454 HydrophobicContact CZ3-CD2 3.48Å; W440-L454 VanDerWaalsContact CZ3-CD2 3.48Å
441W65.2Low79.9Confident22 Ų2236.9 Ų36.98%0.08320%0.195CC..SBendtrans-102.4-21.6174.5-6698.3000114S437 N443 P477 Y482 I489 F493S437-W441 PolarHBondContact O-NE1 2.79Å; W441-N443 PolarHBondContact O-N 2.96Å; W441-P477 HydrophobicContact CD2-CB 4.35Å; W441-P477 HydrophobicContact CE3-CB 3.77Å; W441-P477 HydrophobicContact CE3-CG 4.17Å; W441-P477 HydrophobicContact CH2-CB 3.99Å; W441-P477 HydrophobicContact CH2-CG 3.9Å; W441-P477 HydrophobicContact CZ3-CB 3.56Å; W441-P477 HydrophobicContact CZ3-CG 3.49Å; W441-P477 VanDerWaalsContact CZ3-CG 3.49Å; W441-Y482 PolarHBondContact O-OH 2.84Å; W441-I489 HydrophobicContact CE3-CD1 3.82Å; W441-I489 HydrophobicContact CE3-CG2 3.88Å; W441-I489 HydrophobicContact CH2-CB 4.45Å; W441-I489 HydrophobicContact CH2-CG2 3.69Å; W441-I489 HydrophobicContact CZ3-CB 3.79Å; W441-I489 HydrophobicContact CZ3-CD1 3.59Å; W441-I489 HydrophobicContact CZ3-CG1 4.24Å; W441-I489 HydrophobicContact CZ3-CG2 3.17Å; W441-F493 HydrophobicContact CH2-CE2 4.29Å; W441-F493 HydrophobicContact CZ2-CE2 4.27Å
442E60.7Low79.4Confident129 Ų12941.1 Ų41.160%0.60321%0.211SC*.SBendtrans-75.9-28.4-167.3-57.9-163.6147.300114R479E442-R479 IonicContact OE1-CZ 3.1Å; E442-R479 IonicContact OE1-NH1 3.54Å; E442-R479 PolarHBondContact OE1-NH1 3.36Å; E442-R479 IonicContact OE1-NH2 2.7Å; E442-R479 PolarHBondContact OE1-NH2 3.28Å
443N62.8Low78.9Confident91 Ų9148.3 Ų48.349%0.48724%0.239SC..  trans-128.685.5-178.2-168.2-16.4000111.9W441 A445 N446 I447W441-N443 PolarHBondContact O-N 2.96Å; N443-A445 PolarHBondContact O-N 3.1Å; N443-A445 VanDerWaalsContact O-N 3.08Å; N443-A445 WeakPolarHBondContact OD1-CB 3.25Å; N443-A445 PolarHBondContact OD1-N 2.66Å; N443-N446 PolarHBondContact O-N 2.85Å; N443-I447 WeakPolarHBondContact O-CG1 3.46Å; N443-I447 PolarHBondContact O-N 2.9Å
444V61.7Low78.6Confident36 Ų3648.3 Ų48.322%0.21824%0.239CC..Hα-helixtrans-50.9-34.6-178.7-176.60000112.8N446 I447 Y482 L492V444-N446 PolarHBondContact O-N 3.26Å; V444-I447 HydrophobicContact CB-CD1 4.25Å; V444-I447 HydrophobicContact CG1-CD1 4.4Å; V444-I447 HydrophobicContact CG2-CD1 4.16Å; V444-I447 PolarHBondContact O-N 3.42Å; V444-Y482 HydrophobicContact CG2-CD1 4.5Å; V444-Y482 HydrophobicContact CG2-CE1 4.23Å; V444-L492 HydrophobicContact CG1-CD1 4.4Å
445A65.3Low78.4Confident85 Ų8548.2 Ų48.270%0.70224%0.238SC*.Hα-helixtrans-62.4-30.6-17900000113N443N443-A445 PolarHBondContact O-N 3.1Å; N443-A445 VanDerWaalsContact O-N 3.08Å; N443-A445 WeakPolarHBondContact OD1-CB 3.25Å; N443-A445 PolarHBondContact OD1-N 2.66Å
446N72.6Confident78.4Confident86 Ų8654.6 Ų54.646%0.4626%0.262SS..Hα-helixtrans-105.8-4.6-177-73.8-12.3000114.1N443 V444 Y448 S449 C450N443-N446 PolarHBondContact O-N 2.85Å; V444-N446 PolarHBondContact O-N 3.26Å; N446-Y448 PolarHBondContact O-N 2.86Å; N446-S449 PolarHBondContact O-N 2.69Å; N446-S449 PolarHBondContact O-OG 2.71Å; N446-C450 PolarHBondContact O-N 3.25Å; N446-C450 PolarHBondContact O-SG 2.98Å
447I77.1Confident78.5Confident1 Ų155.8 Ų55.81%0.00527%0.266CS..Hα-helixtrans-52.2-47.4-178.6-64.8-177.2000110.7W440 N443 V444 S449 C450 Q451 I489 F493W440-I447 WeakPolarHBondContact O-CD1 3.32Å; W440-I447 WeakPolarHBondContact O-CG1 3.3Å; N443-I447 WeakPolarHBondContact O-CG1 3.46Å; N443-I447 PolarHBondContact O-N 2.9Å; V444-I447 HydrophobicContact CB-CD1 4.25Å; V444-I447 HydrophobicContact CG1-CD1 4.4Å; V444-I447 HydrophobicContact CG2-CD1 4.16Å; V444-I447 PolarHBondContact O-N 3.42Å; I447-S449 PolarHBondContact O-N 3.04Å; I447-C450 PolarHBondContact O-N 2.75Å; I447-Q451 HydrophobicContact CG2-CG 3.94Å; I447-Q451 VanDerWaalsContact O-CB 3.23Å; I447-Q451 WeakPolarHBondContact O-CB 3.48Å; I447-Q451 WeakPolarHBondContact O-CG 3.24Å; I447-Q451 PolarHBondContact O-N 3Å; I447-I489 HydrophobicContact CD1-CG2 4.2Å; I447-F493 HydrophobicContact CG2-CD2 4.41Å; I447-F493 HydrophobicContact CG2-CE2 4.06Å
448Y78Confident78.9Confident83 Ų8355.9 Ų55.933%0.32527%0.267SS..Hα-helixtrans-57.2-48.3-176.6178.7-99.4000112.4N446 R452 S495 S496N446-Y448 PolarHBondContact O-N 2.86Å; Y448-R452 WeakPolarHBondContact O-CB 3.15Å; Y448-R452 PolarHBondContact O-N 2.95Å; Y448-R452 PolarHBondContact OH-NH1 2.86Å; Y448-S495 WeakPolarHBondContact CD2-OG 3.44Å; Y448-S495 VanDerWaalsContact CE2-OG 3.24Å; Y448-S495 WeakPolarHBondContact CE2-OG 3.35Å; Y448-S496 WeakPolarHBondContact CA-OG 3.15Å; Y448-S496 VanDerWaalsContact CD2-OG 3.23Å; Y448-S496 WeakPolarHBondContact CD2-OG 3.23Å; Y448-S496 PolarHBondContact O-OG 2.83Å
449S79.2Confident79.3Confident56 Ų5654.1 Ų54.139%0.39226%0.263SS..Hα-helixtrans-71.9-41.1-175.963.20000111.8N446 I447 R453N446-S449 PolarHBondContact O-N 2.69Å; N446-S449 PolarHBondContact O-OG 2.71Å; I447-S449 PolarHBondContact O-N 3.04Å; S449-R453 WeakPolarHBondContact O-CB 3.42Å; S449-R453 PolarHBondContact O-N 2.99Å
450C83.8Confident79.8Confident34 Ų3455.8 Ų55.823%0.2327%0.272CS..Hα-helixtrans-63.2-50.6175.6-70.10000111.7W440 N446 I447 R452 R453 L454W440-C450 VanDerWaalsContact CD1-CB 3.43Å; W440-C450 HydrophobicContact CG-CB 4.16Å; N446-C450 PolarHBondContact O-N 3.25Å; N446-C450 PolarHBondContact O-SG 2.98Å; I447-C450 PolarHBondContact O-N 2.75Å; C450-R452 VanDerWaalsContact C-N 3.33Å; C450-R452 PolarHBondContact O-N 2.86Å; C450-R453 WeakPolarHBondContact O-CB 3.47Å; C450-R453 PolarHBondContact O-N 3.17Å; C450-R453 VanDerWaalsContact O-N 3.16Å; C450-L454 PolarHBondContact O-N 3.31Å
451Q87.2Confident80.7Confident0 Ų054.6 Ų54.60%027%0.267CS..Hα-helixtrans-64.8-36.9178.6-74.3-64.4-35.700112.3V436 I447 R453 L454 A455 F493V436-Q451 PolarHBondContact O-NE2 3Å; I447-Q451 HydrophobicContact CG2-CG 3.94Å; I447-Q451 VanDerWaalsContact O-CB 3.23Å; I447-Q451 WeakPolarHBondContact O-CB 3.48Å; I447-Q451 WeakPolarHBondContact O-CG 3.24Å; I447-Q451 PolarHBondContact O-N 3Å; Q451-R453 VanDerWaalsContact C-N 3.3Å; Q451-R453 PolarHBondContact O-N 2.9Å; Q451-L454 PolarHBondContact O-N 3.28Å; Q451-A455 VanDerWaalsContact O-CB 3.3Å; Q451-A455 WeakPolarHBondContact O-CB 3.42Å; Q451-A455 PolarHBondContact O-N 2.74Å; Q451-F493 HydrophobicContact CG-CD1 3.96Å; Q451-F493 HydrophobicContact CG-CE1 3.58Å; Q451-F493 HydrophobicContact CG-CZ 3.88Å; Q451-F493 VanDerWaalsContact NE2-CE1 3.34Å
452R86.3Confident82.1Confident89 Ų8953.5 Ų53.534%0.33626%0.263SS..Hα-helixtrans-67.3-33.4176-169.7170.8-174-175.2-2.9111.9Y448 C450 R456 L499Y448-R452 WeakPolarHBondContact O-CB 3.15Å; Y448-R452 PolarHBondContact O-N 2.95Å; Y448-R452 PolarHBondContact OH-NH1 2.86Å; C450-R452 VanDerWaalsContact C-N 3.33Å; C450-R452 PolarHBondContact O-N 2.86Å; R452-R456 WeakPolarHBondContact O-CG 2.97Å; R452-R456 PolarHBondContact O-N 2.62Å; R452-L499 HydrophobicContact CG-CD2 3.94Å
453R86.3Confident83.4Confident152 Ų15249.8 Ų49.857%0.57425%0.249SC*.Hα-helixtrans-66.9-47.8172.8-171.7-173.1-55.7179.22.4111M411 S449 C450 Q451 R456 R457M411-R453 HydrophobicContact CE-CG 4.23Å; S449-R453 WeakPolarHBondContact O-CB 3.42Å; S449-R453 PolarHBondContact O-N 2.99Å; C450-R453 WeakPolarHBondContact O-CB 3.47Å; C450-R453 PolarHBondContact O-N 3.17Å; C450-R453 VanDerWaalsContact O-N 3.16Å; Q451-R453 VanDerWaalsContact C-N 3.3Å; Q451-R453 PolarHBondContact O-N 2.9Å; R453-R456 PolarHBondContact O-N 3.43Å; R453-R457 PolarHBondContact O-N 2.76Å
454L90.2Very high84.6Confident0 Ų050.8 Ų50.80%025%0.251CS..Hα-helixtrans-58.7-48.7176.2178.667.1000111.8L410 M411 F414 V436 W440 C450 Q451 R456 R457 F458 W497L410-L454 HydrophobicContact CD1-CD1 4.46Å; L410-L454 HydrophobicContact CD2-CD1 3.91Å; L410-L454 HydrophobicContact CD2-CD2 4.23Å; L410-L454 HydrophobicContact CG-CD1 4.01Å; M411-L454 HydrophobicContact SD-CD1 4.42Å; F414-L454 HydrophobicContact CD2-CD1 4.43Å; F414-L454 HydrophobicContact CE2-CD1 3.46Å; F414-L454 VanDerWaalsContact CE2-CD1 3.46Å; F414-L454 HydrophobicContact CZ-CD1 4.04Å; V436-L454 HydrophobicContact CB-CD2 3.8Å; V436-L454 HydrophobicContact CG1-CD2 4.14Å; W440-L454 HydrophobicContact CE3-CD2 4.46Å; W440-L454 HydrophobicContact CH2-CB 4.29Å; W440-L454 HydrophobicContact CH2-CD1 4.14Å; W440-L454 HydrophobicContact CH2-CD2 3.53Å; W440-L454 HydrophobicContact CH2-CG 4.2Å; W440-L454 HydrophobicContact CZ3-CD2 3.48Å; W440-L454 VanDerWaalsContact CZ3-CD2 3.48Å; C450-L454 PolarHBondContact O-N 3.31Å; Q451-L454 PolarHBondContact O-N 3.28Å; L454-R456 VanDerWaalsContact C-N 3.27Å; L454-R456 PolarHBondContact O-N 3.27Å; L454-R457 PolarHBondContact O-N 3.45Å; L454-R457 VanDerWaalsContact O-N 3.07Å; L454-F458 WeakPolarHBondContact O-CB 3.45Å; L454-F458 PolarHBondContact O-N 3.5Å; L454-W497 HydrophobicContact CD2-CZ2 3.92Å; L454-W497 HydrophobicContact CG-CZ2 4.13Å
455A89.6Confident85.8Confident0 Ų050.3 Ų50.30%025%0.246CC..Hα-helixtrans-57.7-40.6179.400000111.9Q451 L459 W497 L499 V500Q451-A455 VanDerWaalsContact O-CB 3.3Å; Q451-A455 WeakPolarHBondContact O-CB 3.42Å; Q451-A455 PolarHBondContact O-N 2.74Å; A455-L459 VanDerWaalsContact O-CB 3.26Å; A455-L459 WeakPolarHBondContact O-CB 3.4Å; A455-L459 PolarHBondContact O-N 2.85Å; A455-W497 HydrophobicContact CB-CD2 3.67Å; A455-W497 HydrophobicContact CB-CE3 3.89Å; A455-W497 HydrophobicContact CB-CG 4.01Å; A455-W497 HydrophobicContact CB-CZ2 4.34Å; A455-W497 HydrophobicContact CB-CZ3 4.33Å; A455-L499 HydrophobicContact CB-CD1 4.35Å; A455-L499 HydrophobicContact CB-CD2 4.42Å; A455-L499 HydrophobicContact CB-CG 4.49Å; A455-V500 HydrophobicContact CB-CG2 4.12Å
456R90.5Very high86.9Confident137 Ų13748 Ų4852%0.51723%0.225SC..Hα-helixtrans-64.5-45.3174.1-75.7174-178.8149.8-3.4111.9R452 R453 L454 L459 Q460 L499R452-R456 WeakPolarHBondContact O-CG 2.97Å; R452-R456 PolarHBondContact O-N 2.62Å; R453-R456 PolarHBondContact O-N 3.43Å; L454-R456 VanDerWaalsContact C-N 3.27Å; L454-R456 PolarHBondContact O-N 3.27Å; R456-L459 PolarHBondContact O-N 3.5Å; R456-Q460 VanDerWaalsContact O-CB 3.26Å; R456-Q460 WeakPolarHBondContact O-CB 3.33Å; R456-Q460 PolarHBondContact O-N 3.15Å; R456-L499 HydrophobicContact CG-CD1 3.91Å; R456-L499 HydrophobicContact CG-CD2 4.3Å
457R91.5Very high87.8Confident27 Ų2744 Ų4410%0.10220%0.203CC..Hα-helixtrans-64-44.5-179.2-168.568.2177.5117.64.2111.5M411 F414 D415 D418 R453 L454 Q460 A461M411-R457 HydrophobicContact CE-CB 4.08Å; M411-R457 HydrophobicContact CE-CG 3.98Å; F414-R457 HydrophobicContact CB-CG 3.53Å; F414-R457 HydrophobicContact CD1-CG 3.97Å; F414-R457 HydrophobicContact CD2-CB 4.41Å; F414-R457 HydrophobicContact CD2-CG 3.72Å; F414-R457 HydrophobicContact CE2-CG 4.43Å; F414-R457 HydrophobicContact CG-CB 4.45Å; F414-R457 HydrophobicContact CG-CG 3.46Å; F414-R457 VanDerWaalsContact CG-CG 3.46Å; F414-R457 PolarHBondContact O-NH2 2.61Å; D415-R457 IonicContact OD1-CZ 3.71Å; D415-R457 IonicContact OD1-NE 3.01Å; D415-R457 IonicContact OD1-NH2 2.67Å; D415-R457 PolarHBondContact OD1-NH2 2.91Å; D418-R457 IonicContact OD2-CZ 3.49Å; D418-R457 IonicContact OD2-NH1 2.62Å; D418-R457 PolarHBondContact OD2-NH1 2.86Å; D418-R457 IonicContact OD2-NH2 2.75Å; D418-R457 PolarHBondContact OD2-NH2 2.78Å; R453-R457 PolarHBondContact O-N 2.76Å; L454-R457 PolarHBondContact O-N 3.45Å; L454-R457 VanDerWaalsContact O-N 3.07Å; R457-Q460 WeakPolarHBondContact O-CB 3.29Å; R457-Q460 PolarHBondContact O-N 2.88Å; R457-A461 PolarHBondContact O-N 2.91Å
458F94.4Very high88.7Confident1 Ų144 Ų440%0.00420%0.204CC..Hα-helixtrans-61.2-48.9174.9179.7-97.8000111.9I327 F414 L431 V433 L454 Q460 A461 V462 F471 W497I327-F458 HydrophobicContact CD1-CD1 4.33Å; I327-F458 HydrophobicContact CD1-CE1 3.95Å; I327-F458 HydrophobicContact CG1-CE1 4.1Å; I327-F458 HydrophobicContact CG2-CE1 3.76Å; I327-F458 HydrophobicContact CG2-CZ 4.49Å; F414-F458 HydrophobicContact CE1-CB 4.02Å; F414-F458 AromaticContact CE1-CD2 3.96Å; F414-F458 HydrophobicContact CE1-CD2 3.96Å; F414-F458 HydrophobicContact CE1-CG 4.48Å; F414-F458 HydrophobicContact CZ-CB 3.9Å; F414-F458 HydrophobicContact CZ-CD2 4.01Å; F414-F458 HydrophobicContact CZ-CG 4.48Å; L431-F458 HydrophobicContact CD2-CD2 4.2Å; L431-F458 HydrophobicContact CD2-CE2 4.15Å; L431-F458 HydrophobicContact CG-CE2 4.15Å; V433-F458 HydrophobicContact CG2-CD2 3.73Å; V433-F458 HydrophobicContact CG2-CE2 3.82Å; L454-F458 WeakPolarHBondContact O-CB 3.45Å; L454-F458 PolarHBondContact O-N 3.5Å; F458-Q460 VanDerWaalsContact C-N 3.29Å; F458-Q460 PolarHBondContact O-N 3.01Å; F458-A461 PolarHBondContact O-N 3.2Å; F458-V462 HydrophobicContact CD1-CG2 4.32Å; F458-V462 HydrophobicContact CE1-CG2 3.97Å; F458-V462 HydrophobicContact CE2-CG2 4.18Å; F458-V462 HydrophobicContact CZ-CG2 3.91Å; F458-V462 WeakPolarHBondContact O-CB 3.19Å; F458-V462 VanDerWaalsContact O-CG2 3.29Å; F458-V462 WeakPolarHBondContact O-CG2 3.37Å; F458-V462 PolarHBondContact O-N 3.16Å; F458-F471 HydrophobicContact CD1-CD1 4.45Å; F458-F471 AromaticContact CE1-CD1 3.84Å; F458-F471 HydrophobicContact CE1-CD1 3.84Å; F458-F471 HydrophobicContact CE2-CB 4.48Å; F458-F471 HydrophobicContact CZ-CB 4.29Å; F458-F471 HydrophobicContact CZ-CD1 4.12Å; F458-W497 HydrophobicContact CB-CH2 4.25Å; F458-W497 HydrophobicContact CD1-CH2 4.2Å; F458-W497 AromaticContact CD1-CZ3 3.84Å; F458-W497 HydrophobicContact CD1-CZ3 3.84Å; F458-W497 HydrophobicContact CE1-CZ3 4.41Å; F458-W497 HydrophobicContact CG-CH2 4.24Å; F458-W497 HydrophobicContact CG-CZ3 4.33Å
459L93.2Very high89.5Confident44 Ų4440 Ų4023%0.2319%0.188CC..Hα-helixtrans-59.6-42177.118063.3000111.7I327 A455 R456 V462 T463 L499 V500I327-L459 HydrophobicContact CD1-CD1 3.69Å; A455-L459 VanDerWaalsContact O-CB 3.26Å; A455-L459 WeakPolarHBondContact O-CB 3.4Å; A455-L459 PolarHBondContact O-N 2.85Å; R456-L459 PolarHBondContact O-N 3.5Å; L459-V462 PolarHBondContact O-N 3.08Å; L459-T463 HydrophobicContact CD1-CG2 3.72Å; L459-T463 HydrophobicContact CG-CG2 4.21Å; L459-T463 WeakPolarHBondContact O-CB 3.43Å; L459-T463 VanDerWaalsContact O-CG2 3.27Å; L459-T463 WeakPolarHBondContact O-CG2 3.45Å; L459-T463 PolarHBondContact O-N 3.35Å; L459-T463 PolarHBondContact O-OG1 2.9Å; L459-L499 HydrophobicContact CD2-CD1 3.86Å; L459-V500 HydrophobicContact CB-CG2 4.21Å
460Q89.5Confident90.4Very high73 Ų7337.4 Ų37.434%0.34117%0.17SC..Hα-helixtrans-59.2-53.9177.5-175-174.57.700110.8R456 R457 F458 V462 T463 E464R456-Q460 VanDerWaalsContact O-CB 3.26Å; R456-Q460 WeakPolarHBondContact O-CB 3.33Å; R456-Q460 PolarHBondContact O-N 3.15Å; R457-Q460 WeakPolarHBondContact O-CB 3.29Å; R457-Q460 PolarHBondContact O-N 2.88Å; F458-Q460 VanDerWaalsContact C-N 3.29Å; F458-Q460 PolarHBondContact O-N 3.01Å; Q460-V462 VanDerWaalsContact C-N 3.3Å; Q460-V462 PolarHBondContact O-N 2.75Å; Q460-T463 PolarHBondContact O-N 3.37Å; Q460-T463 VanDerWaalsContact O-N 3.16Å; Q460-T463 PolarHBondContact O-OG1 2.83Å; Q460-E464 HydrophobicContact CG-CG 3.99Å; Q460-E464 WeakPolarHBondContact CG-OE1 3.27Å; Q460-E464 PolarHBondContact NE2-OE1 2.87Å; Q460-E464 PolarHBondContact NE2-OE2 2.73Å; Q460-E464 WeakPolarHBondContact O-CB 3.48Å; Q460-E464 WeakPolarHBondContact O-CG 3.16Å; Q460-E464 PolarHBondContact O-N 3.36Å
461A90.6Very high91Very high0 Ų035.8 Ų35.80%016%0.159CC..Hα-helixtrans-57.7-43.6179.900000111.8F414 L431 R457 F458 H465F414-A461 HydrophobicContact CD1-CB 4.07Å; F414-A461 HydrophobicContact CE1-CB 4.43Å; L431-A461 HydrophobicContact CD2-CB 4.03Å; R457-A461 PolarHBondContact O-N 2.91Å; F458-A461 PolarHBondContact O-N 3.2Å; A461-H465 WeakPolarHBondContact O-CB 3.27Å; A461-H465 PolarHBondContact O-CD2 3Å; A461-H465 VanDerWaalsContact O-CD2 3.24Å; A461-H465 PolarHBondContact O-N 3.1Å
462V93.2Very high91.3Very high0 Ų035.8 Ų35.80%016%0.159CC..Hα-helixtrans-64.5-42.6178.3170.60000112I327 L431 F458 L459 Q460 S466 L467I327-V462 HydrophobicContact CD1-CB 4.35Å; I327-V462 HydrophobicContact CD1-CG1 4Å; I327-V462 HydrophobicContact CG1-CG1 3.83Å; L431-V462 HydrophobicContact CD2-CG2 4.33Å; F458-V462 HydrophobicContact CD1-CG2 4.32Å; F458-V462 HydrophobicContact CE1-CG2 3.97Å; F458-V462 HydrophobicContact CE2-CG2 4.18Å; F458-V462 HydrophobicContact CZ-CG2 3.91Å; F458-V462 WeakPolarHBondContact O-CB 3.19Å; F458-V462 VanDerWaalsContact O-CG2 3.29Å; F458-V462 WeakPolarHBondContact O-CG2 3.37Å; F458-V462 PolarHBondContact O-N 3.16Å; L459-V462 PolarHBondContact O-N 3.08Å; Q460-V462 VanDerWaalsContact C-N 3.3Å; Q460-V462 PolarHBondContact O-N 2.75Å; V462-S466 CarbonylContact O-C 3.6Å; V462-S466 WeakPolarHBondContact O-CA 3.39Å; V462-S466 PolarHBondContact O-N 3.22Å; V462-S466 VanDerWaalsContact O-N 3.16Å; V462-L467 VanDerWaalsContact CG1-O 3.3Å; V462-L467 WeakPolarHBondContact CG1-O 3.23Å; V462-L467 PolarHBondContact O-N 3.21Å
463T89.3Confident91.4Very high51 Ų5132 Ų3231%0.31314%0.144SC..Hα-helixtrans-80.3-43.2-174.352.70000113.2K325 L459 Q460 S466K325-T463 VanDerWaalsContact CE-O 3.26Å; K325-T463 WeakPolarHBondContact CE-O 3.45Å; L459-T463 HydrophobicContact CD1-CG2 3.72Å; L459-T463 HydrophobicContact CG-CG2 4.21Å; L459-T463 WeakPolarHBondContact O-CB 3.43Å; L459-T463 VanDerWaalsContact O-CG2 3.27Å; L459-T463 WeakPolarHBondContact O-CG2 3.45Å; L459-T463 PolarHBondContact O-N 3.35Å; L459-T463 PolarHBondContact O-OG1 2.9Å; Q460-T463 PolarHBondContact O-N 3.37Å; Q460-T463 VanDerWaalsContact O-N 3.16Å; Q460-T463 PolarHBondContact O-OG1 2.83Å; T463-S466 PolarHBondContact O-N 3.4Å
464E86.7Confident91.4Very high112 Ų11225.7 Ų25.752%0.52312%0.122SC..Hα-helixtrans-65.4-42179.8-71.4-17717700111.3Q460Q460-E464 HydrophobicContact CG-CG 3.99Å; Q460-E464 WeakPolarHBondContact CG-OE1 3.27Å; Q460-E464 PolarHBondContact NE2-OE1 2.87Å; Q460-E464 PolarHBondContact NE2-OE2 2.73Å; Q460-E464 WeakPolarHBondContact O-CB 3.48Å; Q460-E464 WeakPolarHBondContact O-CG 3.16Å; Q460-E464 PolarHBondContact O-N 3.36Å
465H87.7Confident90.8Very high26 Ų2627.4 Ų27.412%0.1213%0.13CC..THydrogen-bonded Turntrans-95.56.4-178.5-56.7-67.1000113.8K307 D418 L421 A461 L467K307-H465 WeakPolarHBondContact CE-O 3.23Å; K307-H465 PolarHBondContact NZ-O 2.55Å; D418-H465 IonicContact OD1-CD2 3.13Å; D418-H465 PolarHBondContact OD1-CD2 2.9Å; D418-H465 IonicContact OD1-CE1 2.86Å; D418-H465 IonicContact OD1-NE2 3.71Å; D418-H465 PolarHBondContact OD1-NE2 3.01Å; L421-H465 HydrophobicContact CB-CB 4.28Å; L421-H465 WeakPolarHBondContact CB-ND1 3.42Å; L421-H465 HydrophobicContact CD1-CB 3.73Å; L421-H465 WeakPolarHBondContact CD1-CD2 3.36Å; L421-H465 VanDerWaalsContact CD1-CG 3.48Å; L421-H465 HydrophobicContact CG-CB 4.42Å; A461-H465 WeakPolarHBondContact O-CB 3.27Å; A461-H465 PolarHBondContact O-CD2 3Å; A461-H465 VanDerWaalsContact O-CD2 3.24Å; A461-H465 PolarHBondContact O-N 3.1Å; H465-L467 VanDerWaalsContact C-N 3.29Å; H465-L467 HydrophobicContact CB-CD1 4.21Å; H465-L467 HydrophobicContact CB-CG 3.98Å; H465-L467 PolarHBondContact O-N 2.83Å
466S89.2Confident89.8Confident37 Ų3730.4 Ų30.426%0.25915%0.149SC..THydrogen-bonded Turntrans51.744.1179.2-57.90000113.4K307 P324 K325 V462 T463K307-S466 WeakPolarHBondContact CD-O 3.15Å; P324-S466 WeakPolarHBondContact CB-O 3.32Å; K325-S466 WeakPolarHBondContact CE-OG 3.5Å; V462-S466 CarbonylContact O-C 3.6Å; V462-S466 WeakPolarHBondContact O-CA 3.39Å; V462-S466 PolarHBondContact O-N 3.22Å; V462-S466 VanDerWaalsContact O-N 3.16Å; T463-S466 PolarHBondContact O-N 3.4Å
467L91.6Very high88.2Confident0 Ų024.3 Ų24.30%013%0.127CC..PPolyproline II helixtrans-90162.1178.8-59.1176.1000111.3K307 K325 L421 F428 L431 V462 H465K307-L467 VanDerWaalsContact NZ-CD2 3.26Å; K325-L467 VanDerWaalsContact CA-O 3.23Å; K325-L467 WeakPolarHBondContact CA-O 3.49Å; K325-L467 PolarHBondContact N-O 3.3Å; L421-L467 HydrophobicContact CD1-CD1 3.61Å; L421-L467 HydrophobicContact CD2-CD1 4.25Å; L421-L467 HydrophobicContact CD2-CD2 4.27Å; F428-L467 HydrophobicContact CB-CD2 4.3Å; F428-L467 WeakPolarHBondContact O-CD2 3.22Å; L431-L467 HydrophobicContact CB-CD1 3.89Å; V462-L467 VanDerWaalsContact CG1-O 3.3Å; V462-L467 WeakPolarHBondContact CG1-O 3.23Å; V462-L467 PolarHBondContact O-N 3.21Å; H465-L467 VanDerWaalsContact C-N 3.29Å; H465-L467 HydrophobicContact CB-CD1 4.21Å; H465-L467 HydrophobicContact CB-CG 3.98Å; H465-L467 PolarHBondContact O-N 2.83Å
468V94.2Very high86.5Confident2 Ų227.8 Ų27.81%0.01214%0.14CC..EExtended strand (participates in β ladder)trans-80132.5155.1176.20000107.5L310 L322 S429 L430 L431L310-V468 HydrophobicContact CB-CG2 4.49Å; L310-V468 HydrophobicContact CD1-CB 3.68Å; L310-V468 HydrophobicContact CD1-CG1 4.23Å; L310-V468 HydrophobicContact CD1-CG2 3.61Å; L310-V468 HydrophobicContact CG-CB 4.48Å; L310-V468 HydrophobicContact CG-CG2 3.87Å; L322-V468 HydrophobicContact CB-CG1 3.94Å; L322-V468 HydrophobicContact CB-CG2 3.92Å; L322-V468 HydrophobicContact CD1-CG1 3.95Å; L322-V468 HydrophobicContact CG-CG1 4.49Å; L322-V468 WeakPolarHBondContact O-CG2 3.47Å; S429-V468 PolarHBondContact O-N 2.92Å; L430-V468 WeakPolarHBondContact CA-O 3.29Å; L430-V468 HydrophobicContact CD1-CB 3.95Å; L430-V468 HydrophobicContact CD1-CG1 3.85Å; L430-V468 WeakPolarHBondContact CD1-O 3.3Å; L431-V468 PolarHBondContact N-O 3.39Å
469G96.2Very high84.7Confident0 Ų033.4 Ų33.40%016%0.161CC..EExtended strand (participates in β ladder)trans-102.9132.117600000111.5Q326 I327 L328 L431Q326-G469 PolarHBondContact O-N 2.79Å; I327-G469 CarbonylContact C-O 3.55Å; I327-G469 VanDerWaalsContact CA-O 3.24Å; I327-G469 WeakPolarHBondContact CA-O 3.38Å; L328-G469 PolarHBondContact N-O 2.53Å; L431-G469 CarbonylContact O-C 3.51Å; L431-G469 WeakPolarHBondContact O-CA 3.47Å
470V97.2Very high82.6Confident0 Ų037 Ų370%019%0.187CC..EExtended strand (participates in β ladder)trans-123.6137.2167.8-178.30000108.1L328 I330 L342 I345 L430 L431 I432 V433L328-V470 HydrophobicContact CB-CG2 4.13Å; L328-V470 HydrophobicContact CD2-CG2 4.26Å; L328-V470 WeakPolarHBondContact O-CA 3.4Å; I330-V470 HydrophobicContact CD1-CG1 4.01Å; I330-V470 HydrophobicContact CG1-CG1 4.21Å; L342-V470 HydrophobicContact CD2-CG1 4Å; I345-V470 HydrophobicContact CD1-CG1 4.32Å; L430-V470 HydrophobicContact CD1-CG2 3.73Å; L431-V470 PolarHBondContact O-N 2.82Å; I432-V470 CarbonylContact C-O 3.57Å; I432-V470 VanDerWaalsContact CA-O 3.22Å; I432-V470 WeakPolarHBondContact CA-O 3.48Å; I432-V470 HydrophobicContact CB-CB 4.5Å; I432-V470 HydrophobicContact CG1-CB 4.12Å; I432-V470 HydrophobicContact CG2-CB 4.3Å; I432-V470 HydrophobicContact CG2-CG1 4.35Å; V433-V470 PolarHBondContact N-O 3.1Å
471F95.7Very high81Confident1 Ų140.5 Ų40.50%0.00421%0.207CC..EExtended strand (participates in β ladder)trans-139.2151.2166.570.3-88.1000110.3I327 L328 E329 I330 V433 V436 F458 W497I327-F471 HydrophobicContact CG2-CD1 3.95Å; I327-F471 HydrophobicContact CG2-CE1 3.75Å; L328-F471 PolarHBondContact O-N 2.71Å; E329-F471 WeakPolarHBondContact CA-O 3.47Å; E329-F471 HydrophobicContact CB-CE1 4.01Å; E329-F471 HydrophobicContact CB-CE2 3.99Å; E329-F471 HydrophobicContact CB-CZ 3.62Å; E329-F471 HydrophobicContact CG-CD2 4.36Å; E329-F471 HydrophobicContact CG-CE2 3.62Å; E329-F471 HydrophobicContact CG-CZ 3.74Å; I330-F471 PolarHBondContact N-O 3.17Å; V433-F471 HydrophobicContact CB-CB 4.34Å; V433-F471 VanDerWaalsContact O-CA 3.22Å; V433-F471 WeakPolarHBondContact O-CA 3.3Å; V436-F471 HydrophobicContact CG1-CB 3.79Å; V436-F471 HydrophobicContact CG1-CD2 4.07Å; V436-F471 HydrophobicContact CG1-CG 4.27Å; V436-F471 HydrophobicContact CG2-CD2 3.74Å; V436-F471 HydrophobicContact CG2-CE2 4.23Å; F458-F471 HydrophobicContact CD1-CD1 4.45Å; F458-F471 AromaticContact CE1-CD1 3.84Å; F458-F471 HydrophobicContact CE1-CD1 3.84Å; F458-F471 HydrophobicContact CE2-CB 4.48Å; F458-F471 HydrophobicContact CZ-CB 4.29Å; F458-F471 HydrophobicContact CZ-CD1 4.12Å; F471-W497 HydrophobicContact CB-CH2 4.47Å; F471-W497 HydrophobicContact CD1-CE3 4.24Å; F471-W497 HydrophobicContact CD1-CH2 4.04Å; F471-W497 AromaticContact CD1-CZ3 3.54Å; F471-W497 HydrophobicContact CD1-CZ3 3.54Å; F471-W497 HydrophobicContact CD2-CE3 4.49Å; F471-W497 AromaticContact CD2-CH2 4Å; F471-W497 HydrophobicContact CD2-CH2 4Å; F471-W497 HydrophobicContact CD2-CZ2 4.37Å; F471-W497 HydrophobicContact CD2-CZ3 4.06Å; F471-W497 AromaticContact CE1-CE3 3.6Å; F471-W497 HydrophobicContact CE1-CE3 3.6Å; F471-W497 HydrophobicContact CE1-CH2 4.22Å; F471-W497 AromaticContact CE1-CZ3 3.37Å; F471-W497 HydrophobicContact CE1-CZ3 3.37Å; F471-W497 HydrophobicContact CE2-CD2 4.14Å; F471-W497 AromaticContact CE2-CE3 3.89Å; F471-W497 HydrophobicContact CE2-CE3 3.89Å; F471-W497 HydrophobicContact CE2-CH2 4.18Å; F471-W497 HydrophobicContact CE2-CZ2 4.42Å; F471-W497 AromaticContact CE2-CZ3 3.91Å; F471-W497 HydrophobicContact CE2-CZ3 3.91Å; F471-W497 AromaticContact CG-CH2 3.91Å; F471-W497 HydrophobicContact CG-CH2 3.91Å; F471-W497 AromaticContact CG-CZ3 3.88Å; F471-W497 HydrophobicContact CG-CZ3 3.88Å; F471-W497 AromaticContact CZ-CD2 3.99Å; F471-W497 HydrophobicContact CZ-CD2 3.99Å; F471-W497 AromaticContact CZ-CE3 3.38Å; F471-W497 HydrophobicContact CZ-CE3 3.38Å; F471-W497 HydrophobicContact CZ-CH2 4.28Å; F471-W497 AromaticContact CZ-CZ3 3.55Å; F471-W497 HydrophobicContact CZ-CZ3 3.55Å
472T94.6Very high79.4Confident0 Ų042.3 Ų42.30%021%0.214CC..EExtended strand (participates in β ladder)trans-111.6151.6176.488.80000112I330 R338 L342 V433 D434 D435 V436I330-T472 HydrophobicContact CB-CG2 4.03Å; I330-T472 HydrophobicContact CD1-CG2 4.45Å; I330-T472 CarbonylContact O-C 3.59Å; I330-T472 WeakPolarHBondContact O-CA 3.45Å; I330-T472 WeakPolarHBondContact O-CB 3.4Å; R338-T472 PolarHBondContact NH1-OG1 3.05Å; L342-T472 HydrophobicContact CD1-CG2 3.65Å; L342-T472 HydrophobicContact CD2-CG2 3.72Å; L342-T472 HydrophobicContact CG-CG2 3.88Å; V433-T472 PolarHBondContact O-N 3.2Å; D434-T472 WeakPolarHBondContact OD1-CG2 3.42Å; D434-T472 PolarHBondContact OD1-OG1 3.1Å; D435-T472 CarbonylContact C-O 3.56Å; D435-T472 VanDerWaalsContact CA-O 3.26Å; D435-T472 WeakPolarHBondContact CA-O 3.35Å; D435-T472 PolarHBondContact N-O 3.46Å; D435-T472 PolarHBondContact N-OG1 2.99Å; V436-T472 WeakPolarHBondContact CG2-O 3.33Å; V436-T472 PolarHBondContact N-O 3.13Å
473R89.2Confident77.6Confident8 Ų844 Ų443%0.0323%0.232CC..EExtended strand (participates in β ladder)trans-137.6137.4178.3178.6174.363.2151.7-7.8111E329 I330 N331 G332 V436 F493 D494E329-R473 IonicContact OE1-CZ 3.36Å; E329-R473 VanDerWaalsContact OE1-CZ 3.29Å; E329-R473 IonicContact OE1-NE 3.29Å; E329-R473 PolarHBondContact OE1-NE 3Å; E329-R473 IonicContact OE1-NH2 3.34Å; E329-R473 PolarHBondContact OE1-NH2 2.78Å; I330-R473 PolarHBondContact O-N 2.97Å; N331-R473 WeakPolarHBondContact CA-O 3.16Å; N331-R473 HydrophobicContact CB-CB 4.37Å; G332-R473 PolarHBondContact N-O 2.93Å; V436-R473 HydrophobicContact CG2-CB 4.46Å; R473-F493 VanDerWaalsContact NH1-CB 3.34Å; R473-D494 IonicContact CZ-OD1 2.74Å; R473-D494 IonicContact NH1-OD1 3.96Å; R473-D494 PolarHBondContact NH1-OD1 3.26Å; R473-D494 IonicContact NH2-OD1 2.63Å; R473-D494 PolarHBondContact NH2-OD1 2.92Å
474H84.7Confident76.2Confident21 Ų2151.2 Ų51.210%0.09726%0.262CS..EExtended strand (participates in β ladder)trans-86.5127170.5-154.1-63.3000110E333 R338 S437 V476E333-H474 PolarHBondContact O-CE1 3.14Å; E333-H474 PolarHBondContact O-NE2 2.56Å; R338-H474 PolarHBondContact NH2-CD2 2.91Å; S437-H474 PolarHBondContact OG-N 2.88Å; H474-V476 PolarHBondContact CE1-O 2.86Å; H474-V476 PolarHBondContact ND1-N 2.86Å; H474-V476 PolarHBondContact ND1-O 3.25Å
475L78.3Confident75.2Confident35 Ų3549.8 Ų49.818%0.18326%0.255CS..SBendtrans-80.2-32.6-178.8-69.5173000112.9N331 G332 C490 H506N331-L475 HydrophobicContact CB-CD1 4.35Å; N331-L475 HydrophobicContact CB-CD2 4.15Å; N331-L475 HydrophobicContact CB-CG 4.14Å; G332-L475 PolarHBondContact O-N 3.33Å; G332-L475 VanDerWaalsContact O-N 3.1Å; L475-C490 PolarHBondContact O-SG 3.07Å; L475-H506 WeakPolarHBondContact CD1-CE1 3.23Å
476V67.9Low74.3Confident63 Ų6350.7 Ų50.738%0.38226%0.262SS..SBendtrans-97.8126.5177.3-174.50000110.2E333 H474 R478E333-V476 HydrophobicContact CB-CG2 4.33Å; E333-V476 HydrophobicContact CG-CG2 4.07Å; H474-V476 PolarHBondContact CE1-O 2.86Å; H474-V476 PolarHBondContact ND1-N 2.86Å; H474-V476 PolarHBondContact ND1-O 3.25Å; V476-R478 PolarHBondContact O-N 2.86Å
477P57.8Low73.4Confident10 Ų1051.4 Ų51.47%0.06528%0.276CS..  trans-57.4132.7174.8-15.625.2000110.6W441 R479 T486W441-P477 HydrophobicContact CD2-CB 4.35Å; W441-P477 HydrophobicContact CE3-CB 3.77Å; W441-P477 HydrophobicContact CE3-CG 4.17Å; W441-P477 HydrophobicContact CH2-CB 3.99Å; W441-P477 HydrophobicContact CH2-CG 3.9Å; W441-P477 HydrophobicContact CZ3-CB 3.56Å; W441-P477 HydrophobicContact CZ3-CG 3.49Å; W441-P477 VanDerWaalsContact CZ3-CG 3.49Å; P477-R479 PolarHBondContact O-N 2.78Å; P477-T486 HydrophobicContact CG-CG2 3.61Å
478R55.9Low72.6Confident99 Ų9960.1 Ų60.137%0.37431%0.309SS..SBendtrans-64.8-25.2177.4-74.3-169180-167.52.5113.4H370 V476H370-R478 PolarHBondContact CD2-NH2 2.97Å; H370-R478 VanDerWaalsContact CD2-NH2 3.26Å; H370-R478 PolarHBondContact NE2-NH1 3.28Å; V476-R478 PolarHBondContact O-N 2.86Å
479R55.9Low71.8Confident120 Ų12060 Ų6045%0.45331%0.308SS..SBendtrans-93.5118.7-179.1-70.9-170.9-177.7175.18.3110E442 P477 I481 Y482E442-R479 IonicContact OE1-CZ 3.1Å; E442-R479 IonicContact OE1-NH1 3.54Å; E442-R479 PolarHBondContact OE1-NH1 3.36Å; E442-R479 IonicContact OE1-NH2 2.7Å; E442-R479 PolarHBondContact OE1-NH2 3.28Å; P477-R479 PolarHBondContact O-N 2.78Å; R479-I481 PolarHBondContact O-N 2.89Å; R479-Y482 HydrophobicContact CB-CD2 3.81Å; R479-Y482 HydrophobicContact CB-CE2 3.99Å; R479-Y482 PolarHBondContact O-N 3.15Å; R479-Y482 VanDerWaalsContact O-N 3.1Å
480P49.3Very low71Confident120 Ų12061.5 Ų61.578%0.77932%0.318SS*.G310 helixtrans-55.2-29.1-176.5-25.732.4000114.3Y482 G483P480-Y482 PolarHBondContact O-N 2.77Å; P480-G483 PolarHBondContact O-N 3.01Å
481I56.8Low70.2Confident146 Ų14664.3 Ų64.375%0.74934%0.342SS*.G310 helixtrans-57.1-24.9-179-56163.8000111.8R479R479-I481 PolarHBondContact O-N 2.89Å
482Y56.5Low69.6Low37 Ų3766.3 Ų66.315%0.14535%0.352CS..G310 helixtrans-100.99.5179.4-53.5-70.3000113.8W441 V444 R479 P480 E484 Q485 T486W441-Y482 PolarHBondContact O-OH 2.84Å; V444-Y482 HydrophobicContact CG2-CD1 4.5Å; V444-Y482 HydrophobicContact CG2-CE1 4.23Å; R479-Y482 HydrophobicContact CB-CD2 3.81Å; R479-Y482 HydrophobicContact CB-CE2 3.99Å; R479-Y482 PolarHBondContact O-N 3.15Å; R479-Y482 VanDerWaalsContact O-N 3.1Å; P480-Y482 PolarHBondContact O-N 2.77Å; Y482-E484 VanDerWaalsContact C-N 3.29Å; Y482-E484 PolarHBondContact O-N 2.85Å; Y482-Q485 CarbonylContact O-C 3.58Å; Y482-Q485 WeakPolarHBondContact O-CA 3.11Å; Y482-Q485 PolarHBondContact O-N 3.23Å; Y482-T486 PolarHBondContact O-N 3.35Å
483G56.2Low69.1Low37 Ų3766.5 Ų66.538%0.38135%0.353SS..G310 helixtrans-52.7-45.3-178.600000112.8P480 Q485 T486P480-G483 PolarHBondContact O-N 3.01Å; G483-Q485 PolarHBondContact O-N 3.11Å; G483-T486 WeakPolarHBondContact O-CB 3.1Å; G483-T486 WeakPolarHBondContact O-CG2 3.12Å; G483-T486 PolarHBondContact O-N 3.2Å; G483-T486 PolarHBondContact O-OG1 2.83Å
484E59Low69Low202 Ų20268.4 Ų68.494%0.94436%0.364SS*.G310 helixtrans-68.5-19.4176.7-66.9-174.8170.400113.6Y482Y482-E484 VanDerWaalsContact C-N 3.29Å; Y482-E484 PolarHBondContact O-N 2.85Å
485Q66.3Low69.1Low81 Ų8169.5 Ų69.538%0.37937%0.373SS..G310 helixtrans-100.6-3.2-177.8-60.5-173.74.800113.8Y482 G483 G487 R488 I489Y482-Q485 CarbonylContact O-C 3.58Å; Y482-Q485 WeakPolarHBondContact O-CA 3.11Å; Y482-Q485 PolarHBondContact O-N 3.23Å; G483-Q485 PolarHBondContact O-N 3.11Å; Q485-G487 PolarHBondContact O-N 2.83Å; Q485-R488 PolarHBondContact O-N 2.85Å; Q485-I489 HydrophobicContact CB-CD1 4.06Å; Q485-I489 HydrophobicContact CB-CG1 4.42Å; Q485-I489 WeakPolarHBondContact O-CG1 3.47Å; Q485-I489 PolarHBondContact O-N 3.03Å
486T68.5Low69.5Low45 Ų4567.8 Ų67.828%0.27637%0.365SS..Hα-helixtrans-37-59.4176.737.90000113.4P477 Y482 G483 R488 I489 C490P477-T486 HydrophobicContact CG-CG2 3.61Å; Y482-T486 PolarHBondContact O-N 3.35Å; G483-T486 WeakPolarHBondContact O-CB 3.1Å; G483-T486 WeakPolarHBondContact O-CG2 3.12Å; G483-T486 PolarHBondContact O-N 3.2Å; G483-T486 PolarHBondContact O-OG1 2.83Å; T486-R488 PolarHBondContact O-N 2.86Å; T486-I489 PolarHBondContact O-N 3.44Å; T486-C490 PolarHBondContact O-N 3.15Å; T486-C490 PolarHBondContact O-SG 2.94Å
487G70.8Confident70.5Confident52 Ų5265 Ų6554%0.53635%0.347SS..Hα-helixtrans-62.5-39.8-176.200000113.1Q485 C490 A491Q485-G487 PolarHBondContact O-N 2.83Å; G487-C490 PolarHBondContact O-N 3.26Å; G487-A491 PolarHBondContact O-N 2.81Å
488R74.8Confident71.9Confident183 Ų18368.8 Ų68.869%0.69137%0.374SS*.Hα-helixtrans-66.1-41.8177-171.5178.6-178.3-178.61.1111.2Q485 T486 A491 L492Q485-R488 PolarHBondContact O-N 2.85Å; T486-R488 PolarHBondContact O-N 2.86Å; R488-A491 PolarHBondContact O-N 2.82Å; R488-L492 WeakPolarHBondContact O-CG 3.47Å; R488-L492 PolarHBondContact O-N 3.27Å
489I77.1Confident73.3Confident0 Ų066.9 Ų66.90%037%0.371CS..Hα-helixtrans-69.1-40.7179.4-59.5166.5000110.5W441 I447 Q485 T486 A491 L492 F493W441-I489 HydrophobicContact CE3-CD1 3.82Å; W441-I489 HydrophobicContact CE3-CG2 3.88Å; W441-I489 HydrophobicContact CH2-CB 4.45Å; W441-I489 HydrophobicContact CH2-CG2 3.69Å; W441-I489 HydrophobicContact CZ3-CB 3.79Å; W441-I489 HydrophobicContact CZ3-CD1 3.59Å; W441-I489 HydrophobicContact CZ3-CG1 4.24Å; W441-I489 HydrophobicContact CZ3-CG2 3.17Å; I447-I489 HydrophobicContact CD1-CG2 4.2Å; Q485-I489 HydrophobicContact CB-CD1 4.06Å; Q485-I489 HydrophobicContact CB-CG1 4.42Å; Q485-I489 WeakPolarHBondContact O-CG1 3.47Å; Q485-I489 PolarHBondContact O-N 3.03Å; T486-I489 PolarHBondContact O-N 3.44Å; I489-A491 VanDerWaalsContact C-N 3.33Å; I489-A491 PolarHBondContact O-N 3Å; I489-L492 WeakPolarHBondContact O-CB 3.4Å; I489-L492 PolarHBondContact O-N 3.36Å; I489-L492 VanDerWaalsContact O-N 3.15Å; I489-F493 HydrophobicContact CG2-CD2 3.72Å; I489-F493 HydrophobicContact CG2-CE2 3.75Å; I489-F493 WeakPolarHBondContact O-CD2 3.4Å; I489-F493 PolarHBondContact O-N 3.28Å
490C79.2Confident74.7Confident31 Ų3161.3 Ų61.321%0.20935%0.35CS..Hα-helixtrans-58.6-43.9174.2-69.80000112.3L475 T486 G487 L492 F493 D494L475-C490 PolarHBondContact O-SG 3.07Å; T486-C490 PolarHBondContact O-N 3.15Å; T486-C490 PolarHBondContact O-SG 2.94Å; G487-C490 PolarHBondContact O-N 3.26Å; C490-L492 VanDerWaalsContact C-N 3.35Å; C490-L492 PolarHBondContact O-N 3.23Å; C490-F493 PolarHBondContact O-N 3.31Å; C490-D494 PolarHBondContact O-N 3.33Å
491A80.9Confident76.6Confident60 Ų6064.4 Ų64.450%0.49635%0.354SS..Hα-helixtrans-62.8-39.9175.400000112.3G487 R488 I489 D494 S495G487-A491 PolarHBondContact O-N 2.81Å; R488-A491 PolarHBondContact O-N 2.82Å; I489-A491 VanDerWaalsContact C-N 3.33Å; I489-A491 PolarHBondContact O-N 3Å; A491-D494 PolarHBondContact O-N 2.91Å; A491-S495 WeakPolarHBondContact O-CB 3.46Å; A491-S495 PolarHBondContact O-N 3.1Å; A491-S495 PolarHBondContact O-OG 2.77Å
492L82Confident78.3Confident43 Ų4359.3 Ų59.323%0.22533%0.326CS..Hα-helixtrans-62.4-46.6174-72.5173.7000111.4V444 R488 I489 C490 D494 S495 S496V444-L492 HydrophobicContact CG1-CD1 4.4Å; R488-L492 WeakPolarHBondContact O-CG 3.47Å; R488-L492 PolarHBondContact O-N 3.27Å; I489-L492 WeakPolarHBondContact O-CB 3.4Å; I489-L492 PolarHBondContact O-N 3.36Å; I489-L492 VanDerWaalsContact O-N 3.15Å; C490-L492 VanDerWaalsContact C-N 3.35Å; C490-L492 PolarHBondContact O-N 3.23Å; L492-D494 PolarHBondContact O-N 3.12Å; L492-S495 WeakPolarHBondContact CA-OG 3.35Å; L492-S495 PolarHBondContact O-N 3.27Å; L492-S495 PolarHBondContact O-OG 3.29Å; L492-S496 WeakPolarHBondContact O-CB 3.25Å; L492-S496 PolarHBondContact O-N 2.79Å; L492-S496 PolarHBondContact O-OG 3.27Å
493F84.4Confident80Confident3 Ų360.7 Ų60.71%0.01333%0.333CS..Hα-helixtrans-57.7-48174.7-93.4-87.4000112.1W441 I447 Q451 R473 I489 C490 S495 S496 W497W441-F493 HydrophobicContact CH2-CE2 4.29Å; W441-F493 HydrophobicContact CZ2-CE2 4.27Å; I447-F493 HydrophobicContact CG2-CD2 4.41Å; I447-F493 HydrophobicContact CG2-CE2 4.06Å; Q451-F493 HydrophobicContact CG-CD1 3.96Å; Q451-F493 HydrophobicContact CG-CE1 3.58Å; Q451-F493 HydrophobicContact CG-CZ 3.88Å; Q451-F493 VanDerWaalsContact NE2-CE1 3.34Å; R473-F493 VanDerWaalsContact NH1-CB 3.34Å; I489-F493 HydrophobicContact CG2-CD2 3.72Å; I489-F493 HydrophobicContact CG2-CE2 3.75Å; I489-F493 WeakPolarHBondContact O-CD2 3.4Å; I489-F493 PolarHBondContact O-N 3.28Å; C490-F493 PolarHBondContact O-N 3.31Å; F493-S495 VanDerWaalsContact C-N 3.28Å; F493-S495 PolarHBondContact O-N 2.88Å; F493-S496 PolarHBondContact O-N 2.88Å; F493-W497 PolarHBondContact O-N 2.85Å
494D86.7Confident81.8Confident49 Ų4963.8 Ų63.826%0.26233%0.333SS..Hα-helixtrans-59.4-42.2178.5-88.125.8000111.2R473 C490 A491 L492 W497 S498 R504R473-D494 IonicContact CZ-OD1 2.74Å; R473-D494 IonicContact NH1-OD1 3.96Å; R473-D494 PolarHBondContact NH1-OD1 3.26Å; R473-D494 IonicContact NH2-OD1 2.63Å; R473-D494 PolarHBondContact NH2-OD1 2.92Å; C490-D494 PolarHBondContact O-N 3.33Å; A491-D494 PolarHBondContact O-N 2.91Å; L492-D494 PolarHBondContact O-N 3.12Å; D494-W497 PolarHBondContact O-N 3.03Å; D494-S498 PolarHBondContact O-N 3.18Å; D494-R504 IonicContact OD1-NH1 3.89Å; D494-R504 IonicContact OD1-NH2 2.67Å; D494-R504 IonicContact OD2-CZ 2.61Å; D494-R504 IonicContact OD2-NH1 3.46Å; D494-R504 PolarHBondContact OD2-NH1 2.69Å; D494-R504 IonicContact OD2-NH2 3.24Å; D494-R504 PolarHBondContact OD2-NH2 2.88Å; D494-R504 VanDerWaalsContact OD2-NH2 3.13Å
495S86.8Confident83.5Confident43 Ų4354.2 Ų54.230%0.30129%0.288SS..Hα-helixtrans-65.8-40.1176.177.10000112.9Y448 A491 L492 F493 W497 S498Y448-S495 WeakPolarHBondContact CD2-OG 3.44Å; Y448-S495 VanDerWaalsContact CE2-OG 3.24Å; Y448-S495 WeakPolarHBondContact CE2-OG 3.35Å; A491-S495 WeakPolarHBondContact O-CB 3.46Å; A491-S495 PolarHBondContact O-N 3.1Å; A491-S495 PolarHBondContact O-OG 2.77Å; L492-S495 WeakPolarHBondContact CA-OG 3.35Å; L492-S495 PolarHBondContact O-N 3.27Å; L492-S495 PolarHBondContact O-OG 3.29Å; F493-S495 VanDerWaalsContact C-N 3.28Å; F493-S495 PolarHBondContact O-N 2.88Å; S495-W497 VanDerWaalsContact C-N 3.32Å; S495-W497 PolarHBondContact O-N 2.78Å; S495-S498 WeakPolarHBondContact O-CB 3.15Å; S495-S498 PolarHBondContact O-N 3.44Å; S495-S498 PolarHBondContact O-OG 3.34Å
496S86Confident84.7Confident0 Ų053.6 Ų53.60%029%0.285CS..Hα-helixtrans-66.3-35.4178.3-70.30000112.5Y448 L492 F493 L499Y448-S496 WeakPolarHBondContact CA-OG 3.15Å; Y448-S496 VanDerWaalsContact CD2-OG 3.23Å; Y448-S496 WeakPolarHBondContact CD2-OG 3.23Å; Y448-S496 PolarHBondContact O-OG 2.83Å; L492-S496 WeakPolarHBondContact O-CB 3.25Å; L492-S496 PolarHBondContact O-N 2.79Å; L492-S496 PolarHBondContact O-OG 3.27Å; F493-S496 PolarHBondContact O-N 2.88Å; S496-L499 VanDerWaalsContact O-CD2 3.32Å; S496-L499 WeakPolarHBondContact O-CD2 3.49Å
497W89.7Confident85.9Confident3 Ų351.5 Ų51.51%0.01127%0.272CS..THydrogen-bonded Turntrans-93.71.8179.7-74.978.4000113.2V436 L454 A455 F458 F471 F493 D494 S495 L499 V500 R502V436-W497 HydrophobicContact CB-CH2 4.5Å; V436-W497 HydrophobicContact CB-CZ2 3.85Å; V436-W497 HydrophobicContact CG1-CH2 4.01Å; V436-W497 HydrophobicContact CG1-CZ2 3.86Å; V436-W497 HydrophobicContact CG2-CH2 4.46Å; V436-W497 HydrophobicContact CG2-CZ2 3.74Å; L454-W497 HydrophobicContact CD2-CZ2 3.92Å; L454-W497 HydrophobicContact CG-CZ2 4.13Å; A455-W497 HydrophobicContact CB-CD2 3.67Å; A455-W497 HydrophobicContact CB-CE3 3.89Å; A455-W497 HydrophobicContact CB-CG 4.01Å; A455-W497 HydrophobicContact CB-CZ2 4.34Å; A455-W497 HydrophobicContact CB-CZ3 4.33Å; F458-W497 HydrophobicContact CB-CH2 4.25Å; F458-W497 HydrophobicContact CD1-CH2 4.2Å; F458-W497 AromaticContact CD1-CZ3 3.84Å; F458-W497 HydrophobicContact CD1-CZ3 3.84Å; F458-W497 HydrophobicContact CE1-CZ3 4.41Å; F458-W497 HydrophobicContact CG-CH2 4.24Å; F458-W497 HydrophobicContact CG-CZ3 4.33Å; F471-W497 HydrophobicContact CB-CH2 4.47Å; F471-W497 HydrophobicContact CD1-CE3 4.24Å; F471-W497 HydrophobicContact CD1-CH2 4.04Å; F471-W497 AromaticContact CD1-CZ3 3.54Å; F471-W497 HydrophobicContact CD1-CZ3 3.54Å; F471-W497 HydrophobicContact CD2-CE3 4.49Å; F471-W497 AromaticContact CD2-CH2 4Å; F471-W497 HydrophobicContact CD2-CH2 4Å; F471-W497 HydrophobicContact CD2-CZ2 4.37Å; F471-W497 HydrophobicContact CD2-CZ3 4.06Å; F471-W497 AromaticContact CE1-CE3 3.6Å; F471-W497 HydrophobicContact CE1-CE3 3.6Å; F471-W497 HydrophobicContact CE1-CH2 4.22Å; F471-W497 AromaticContact CE1-CZ3 3.37Å; F471-W497 HydrophobicContact CE1-CZ3 3.37Å; F471-W497 HydrophobicContact CE2-CD2 4.14Å; F471-W497 AromaticContact CE2-CE3 3.89Å; F471-W497 HydrophobicContact CE2-CE3 3.89Å; F471-W497 HydrophobicContact CE2-CH2 4.18Å; F471-W497 HydrophobicContact CE2-CZ2 4.42Å; F471-W497 AromaticContact CE2-CZ3 3.91Å; F471-W497 HydrophobicContact CE2-CZ3 3.91Å; F471-W497 AromaticContact CG-CH2 3.91Å; F471-W497 HydrophobicContact CG-CH2 3.91Å; F471-W497 AromaticContact CG-CZ3 3.88Å; F471-W497 HydrophobicContact CG-CZ3 3.88Å; F471-W497 AromaticContact CZ-CD2 3.99Å; F471-W497 HydrophobicContact CZ-CD2 3.99Å; F471-W497 AromaticContact CZ-CE3 3.38Å; F471-W497 HydrophobicContact CZ-CE3 3.38Å; F471-W497 HydrophobicContact CZ-CH2 4.28Å; F471-W497 AromaticContact CZ-CZ3 3.55Å; F471-W497 HydrophobicContact CZ-CZ3 3.55Å; F493-W497 PolarHBondContact O-N 2.85Å; D494-W497 PolarHBondContact O-N 3.03Å; S495-W497 VanDerWaalsContact C-N 3.32Å; S495-W497 PolarHBondContact O-N 2.78Å; W497-L499 PolarHBondContact O-N 3.02Å; W497-V500 HydrophobicContact CE3-CB 4.2Å; W497-V500 HydrophobicContact CE3-CG1 4.46Å; W497-V500 HydrophobicContact CE3-CG2 3.9Å; W497-V500 HydrophobicContact CZ3-CG2 4.36Å; W497-V500 WeakPolarHBondContact O-CB 3.49Å; W497-V500 PolarHBondContact O-N 2.79Å; W497-R502 PolarHBondContact O-NH1 3.19Å
498S87.8Confident86.8Confident90 Ų9053.5 Ų53.563%0.62927%0.267SS*.THydrogen-bonded Turntrans-55.9-25.2-178.258.60000114.5D494 S495 V500D494-S498 PolarHBondContact O-N 3.18Å; S495-S498 WeakPolarHBondContact O-CB 3.15Å; S495-S498 PolarHBondContact O-N 3.44Å; S495-S498 PolarHBondContact O-OG 3.34Å; S498-V500 PolarHBondContact O-N 3.36Å
499L84.8Confident87.4Confident59 Ų5950 Ų5031%0.30925%0.254SS..THydrogen-bonded Turntrans-72.4-10.5175.361.6111.6000114.6R452 A455 R456 L459 S496 W497R452-L499 HydrophobicContact CG-CD2 3.94Å; A455-L499 HydrophobicContact CB-CD1 4.35Å; A455-L499 HydrophobicContact CB-CD2 4.42Å; A455-L499 HydrophobicContact CB-CG 4.49Å; R456-L499 HydrophobicContact CG-CD1 3.91Å; R456-L499 HydrophobicContact CG-CD2 4.3Å; L459-L499 HydrophobicContact CD2-CD1 3.86Å; S496-L499 VanDerWaalsContact O-CD2 3.32Å; S496-L499 WeakPolarHBondContact O-CD2 3.49Å; W497-L499 PolarHBondContact O-N 3.02Å
500V85.8Confident87.8Confident3 Ų353.3 Ų53.32%0.01827%0.271CS..SBendtrans-106101.2-178-1750000109.2I327 A455 L459 W497 S498 R502I327-V500 HydrophobicContact CB-CG1 4.14Å; I327-V500 HydrophobicContact CD1-CG1 3.39Å; I327-V500 HydrophobicContact CG1-CG1 4.33Å; I327-V500 HydrophobicContact CG2-CG1 3.78Å; A455-V500 HydrophobicContact CB-CG2 4.12Å; L459-V500 HydrophobicContact CB-CG2 4.21Å; W497-V500 HydrophobicContact CE3-CB 4.2Å; W497-V500 HydrophobicContact CE3-CG1 4.46Å; W497-V500 HydrophobicContact CE3-CG2 3.9Å; W497-V500 HydrophobicContact CZ3-CG2 4.36Å; W497-V500 WeakPolarHBondContact O-CB 3.49Å; W497-V500 PolarHBondContact O-N 2.79Å; S498-V500 PolarHBondContact O-N 3.36Å; V500-R502 PolarHBondContact O-N 3.26Å; V500-R502 PolarHBondContact O-NH1 2.87Å; V500-R502 VanDerWaalsContact O-NH1 3.09Å
501Q88.4Confident87.9Confident185 Ų18558 Ų5886%0.86429%0.29SS*.  trans-66126.4171-173.4177.94.300109.3
502R92.4Very high87.9Confident39 Ų3961.1 Ų61.115%0.14730%0.298CS..  trans-155.5150.7-170.663.4-160-172.1-110.414.1112.7I327 E329 W497 V500 R504I327-R502 HydrophobicContact CB-CB 4.13Å; I327-R502 HydrophobicContact CG2-CB 3.86Å; I327-R502 CarbonylContact O-C 3.53Å; I327-R502 WeakPolarHBondContact O-CA 3.44Å; I327-R502 VanDerWaalsContact O-CB 3.32Å; I327-R502 WeakPolarHBondContact O-CB 3.03Å; E329-R502 HydrophobicContact CB-CG 4.36Å; E329-R502 IonicContact OE2-CZ 3.92Å; E329-R502 VanDerWaalsContact OE2-CZ 3.26Å; E329-R502 IonicContact OE2-NE 3.11Å; E329-R502 PolarHBondContact OE2-NE 3.36Å; E329-R502 IonicContact OE2-NH2 2.84Å; E329-R502 PolarHBondContact OE2-NH2 2.89Å; W497-R502 PolarHBondContact O-NH1 3.19Å; V500-R502 PolarHBondContact O-N 3.26Å; V500-R502 PolarHBondContact O-NH1 2.87Å; V500-R502 VanDerWaalsContact O-NH1 3.09Å; R502-R504 HydrophobicContact CG-CG 4.42Å
503K93Very high87.8Confident67 Ų6763 Ų6329%0.29131%0.308SS..EExtended strand (participates in β ladder)trans-82.6136.1164.3-72.5-175.4176.6-179.10108.7I327 L328 E329I327-K503 PolarHBondContact O-N 3.49Å; L328-K503 WeakPolarHBondContact CA-O 3.31Å; L328-K503 HydrophobicContact CD1-CB 3.9Å; E329-K503 PolarHBondContact N-O 3.19Å
504R92.9Very high87.8Confident102 Ų10268.3 Ų68.339%0.38533%0.328SS..EExtended strand (participates in β ladder)trans-106.7124-178.6-67.9-173.7-178.2-176.1-0.4110E329 D494 R502E329-R504 HydrophobicContact CB-CG 4.24Å; E329-R504 IonicContact OE2-CZ 2.77Å; E329-R504 IonicContact OE2-NE 2.67Å; E329-R504 PolarHBondContact OE2-NE 3.19Å; D494-R504 IonicContact OD1-NH1 3.89Å; D494-R504 IonicContact OD1-NH2 2.67Å; D494-R504 IonicContact OD2-CZ 2.61Å; D494-R504 IonicContact OD2-NH1 3.46Å; D494-R504 PolarHBondContact OD2-NH1 2.69Å; D494-R504 IonicContact OD2-NH2 3.24Å; D494-R504 PolarHBondContact OD2-NH2 2.88Å; D494-R504 VanDerWaalsContact OD2-NH2 3.13Å; R502-R504 HydrophobicContact CG-CG 4.42Å
505L94.5Very high88.1Confident0 Ų066.1 Ų66.10%032%0.316CS..EExtended strand (participates in β ladder)trans-100.6118169.7-70.4168.8000108.3L314 L317 L328 E329 I330 N331 C519L314-L505 HydrophobicContact CD1-CD1 3.7Å; L314-L505 HydrophobicContact CD1-CD2 4.48Å; L317-L505 HydrophobicContact CD2-CD2 3.27Å; L317-L505 HydrophobicContact CG-CD2 3.96Å; L328-L505 HydrophobicContact CD1-CD1 3.63Å; L328-L505 HydrophobicContact CD1-CG 3.87Å; L328-L505 HydrophobicContact CD2-CD1 3.5Å; L328-L505 VanDerWaalsContact CD2-CD1 3.5Å; L328-L505 HydrophobicContact CG-CD1 3.63Å; L328-L505 HydrophobicContact CG-CG 4.3Å; E329-L505 PolarHBondContact O-N 3.04Å; I330-L505 HydrophobicContact CD1-CD1 4.4Å; I330-L505 HydrophobicContact CG1-CB 4.34Å; I330-L505 HydrophobicContact CG1-CD1 3.91Å; I330-L505 HydrophobicContact CG2-CB 4.41Å; N331-L505 PolarHBondContact N-O 2.92Å; N331-L505 PolarHBondContact OD1-O 3.35Å; L505-C519 HydrophobicContact CD2-CB 3.69Å
506H93.2Very high88.3Confident69 Ų6964.4 Ų64.432%0.31930%0.304SS..EExtended strand (participates in β ladder)trans-102.6117.1177.4-174.264.5000110.3N331 L475 C517 T518N331-H506 WeakPolarHBondContact OD1-CA 3.31Å; N331-H506 PolarHBondContact OD1-ND1 2.71Å; L475-H506 WeakPolarHBondContact CD1-CE1 3.23Å; H506-C517 CarbonylContact O-C 3.5Å; H506-C517 VanDerWaalsContact O-CA 3.26Å; H506-C517 WeakPolarHBondContact O-CA 3.34Å; H506-T518 PolarHBondContact N-O 2.91Å; H506-T518 PolarHBondContact O-N 2.87Å
507V93.1Very high88.7Confident0 Ų064.4 Ų64.40%030%0.304CS..EExtended strand (participates in β ladder)trans-103.6123.6-177.6-174.80000110.5I330 N331 G332 R338 L341 F515 S516 C517 F526I330-V507 HydrophobicContact CG2-CG2 3.76Å; N331-V507 PolarHBondContact O-N 3.14Å; G332-V507 WeakPolarHBondContact CA-O 3.19Å; R338-V507 HydrophobicContact CG-CB 4.45Å; R338-V507 HydrophobicContact CG-CG2 4.39Å; L341-V507 HydrophobicContact CD1-CG2 3.44Å; L341-V507 VanDerWaalsContact CD1-CG2 3.44Å; L341-V507 HydrophobicContact CG-CG2 4.48Å; V507-F515 HydrophobicContact CG1-CB 4.48Å; V507-F515 HydrophobicContact CG1-CD1 4.5Å; V507-S516 WeakPolarHBondContact CA-O 3.35Å; V507-C517 HydrophobicContact CG2-CB 4.48Å; V507-F526 HydrophobicContact CG1-CE1 4.41Å; V507-F526 HydrophobicContact CG1-CZ 3.9Å
508Q89.2Confident88.9Confident94 Ų9466.3 Ų66.344%0.43932%0.316SS..EExtended strand (participates in β ladder)trans-120.2139.6175.7-170.5177.79.500110.1F515 S516Q508-F515 CarbonylContact O-C 3.44Å; Q508-F515 VanDerWaalsContact O-CA 3.23Å; Q508-F515 WeakPolarHBondContact O-CA 3.49Å; Q508-S516 PolarHBondContact N-O 3.16Å; Q508-S516 PolarHBondContact O-N 2.99Å
509R87.1Confident89.1Confident111 Ų11162.3 Ų62.342%0.41929%0.288SS..EExtended strand (participates in β ladder)trans-88.7123.1172.6-178.9178.2177-173.9-4.7108.9T334 Q511 F515T334-R509 HydrophobicContact CG2-CB 3.53Å; T334-R509 HydrophobicContact CG2-CG 4.37Å; R509-Q511 WeakPolarHBondContact CG-O 3.39Å; R509-Q511 PolarHBondContact NE-O 3.19Å; R509-Q511 VanDerWaalsContact NE-O 3.09Å; R509-F515 HydrophobicContact CB-CD1 3.87Å; R509-F515 HydrophobicContact CB-CE1 3.92Å; R509-F515 HydrophobicContact CG-CD1 4.11Å; R509-F515 HydrophobicContact CG-CE1 3.84Å
510L86Confident89.2Confident69 Ų6966.3 Ų66.336%0.36131%0.305SS..EExtended strand (participates in β ladder)trans-88.5-49.4177.1-57.6174.3000110.2R514 Y525L510-R514 PolarHBondContact N-O 3.05Å; L510-Y525 HydrophobicContact CD1-CD1 3.57Å; L510-Y525 HydrophobicContact CD1-CE1 3.66Å
511Q81.9Confident89.2Confident130 Ų13074.2 Ų74.261%0.60735%0.348SS*.EExtended strand (participates in β ladder)trans-147.3-173.9178.9-66.1-174-2.600110.6R509 N513 R514R509-Q511 WeakPolarHBondContact CG-O 3.39Å; R509-Q511 PolarHBondContact NE-O 3.19Å; R509-Q511 VanDerWaalsContact NE-O 3.09Å; Q511-N513 PolarHBondContact O-N 3.32Å; Q511-R514 HydrophobicContact CB-CB 4.46Å; Q511-R514 PolarHBondContact N-O 2.8Å; Q511-R514 PolarHBondContact O-N 2.96Å
512L79.3Confident89.2Confident125 Ų12570.2 Ų70.265%0.65433%0.325SS*.THydrogen-bonded Turntrans-59125.9170.8-175.166000109.8R514L512-R514 PolarHBondContact O-N 2.83Å; L512-R514 VanDerWaalsContact O-N 3.09Å
513N79.9Confident89.2Confident82 Ų8272.3 Ų72.344%0.43934%0.338SS..THydrogen-bonded Turntrans61.49.6179.3-62.5-15.6000116.4Q511 R527 T528Q511-N513 PolarHBondContact O-N 3.32Å; N513-R527 WeakPolarHBondContact O-CA 3.24Å; N513-R527 WeakPolarHBondContact O-CB 3.46Å; N513-T528 HydrophobicContact CB-CG2 3.65Å; N513-T528 PolarHBondContact O-N 2.6Å
514R85.6Confident89.1Confident114 Ų11469.5 Ų69.543%0.4333%0.326SS..EExtended strand (participates in β ladder)trans-121.4132.6175.1-67.6-172.7179.1-157.13.2111.2L510 Q511 L512 R527 E539L510-R514 PolarHBondContact N-O 3.05Å; Q511-R514 HydrophobicContact CB-CB 4.46Å; Q511-R514 PolarHBondContact N-O 2.8Å; Q511-R514 PolarHBondContact O-N 2.96Å; L512-R514 PolarHBondContact O-N 2.83Å; L512-R514 VanDerWaalsContact O-N 3.09Å; R514-R527 HydrophobicContact CG-CB 4.23Å; R514-E539 PolarHBondContact NH1-OXT 2.77Å
515F92Very high89.1Confident3 Ų366.7 Ų66.71%0.01332%0.316CS..EExtended strand (participates in β ladder)trans-137.5152-173.9-52.8-88.8000110.3S336 L340 V507 Q508 R509 Y525 F526S336-F515 WeakPolarHBondContact OG-CE1 3.22Å; S336-F515 VanDerWaalsContact OG-CZ 3.32Å; S336-F515 WeakPolarHBondContact OG-CZ 3.27Å; L340-F515 HydrophobicContact CD1-CD2 3.91Å; L340-F515 HydrophobicContact CD1-CE2 3.51Å; L340-F515 HydrophobicContact CD1-CZ 4.31Å; V507-F515 HydrophobicContact CG1-CB 4.48Å; V507-F515 HydrophobicContact CG1-CD1 4.5Å; Q508-F515 CarbonylContact O-C 3.44Å; Q508-F515 VanDerWaalsContact O-CA 3.23Å; Q508-F515 WeakPolarHBondContact O-CA 3.49Å; R509-F515 HydrophobicContact CB-CD1 3.87Å; R509-F515 HydrophobicContact CB-CE1 3.92Å; R509-F515 HydrophobicContact CG-CD1 4.11Å; R509-F515 HydrophobicContact CG-CE1 3.84Å; F515-Y525 WeakPolarHBondContact O-CA 3.16Å; F515-F526 HydrophobicContact CB-CD1 4.01Å; F515-F526 HydrophobicContact CB-CD2 4.2Å; F515-F526 HydrophobicContact CB-CE1 3.49Å; F515-F526 VanDerWaalsContact CB-CE1 3.49Å; F515-F526 HydrophobicContact CB-CE2 3.74Å; F515-F526 HydrophobicContact CB-CG 4.33Å; F515-F526 HydrophobicContact CB-CZ 3.37Å; F515-F526 HydrophobicContact CD2-CD2 4.26Å; F515-F526 AromaticContact CD2-CE2 3.93Å; F515-F526 HydrophobicContact CD2-CE2 3.93Å; F515-F526 HydrophobicContact CD2-CZ 4.39Å; F515-F526 HydrophobicContact CG-CE2 4.01Å; F515-F526 AromaticContact CG-CZ 4Å; F515-F526 HydrophobicContact CG-CZ 4Å; F515-F526 PolarHBondContact N-O 2.75Å; F515-F526 PolarHBondContact O-N 2.87Å
516S92.7Very high88.9Confident7 Ų766.9 Ų66.95%0.04932%0.317CS..EExtended strand (participates in β ladder)trans-109.7145.816354.70000109V507 Q508 V524V507-S516 WeakPolarHBondContact CA-O 3.35Å; Q508-S516 PolarHBondContact N-O 3.16Å; Q508-S516 PolarHBondContact O-N 2.99Å; S516-V524 CarbonylContact C-O 3.55Å; S516-V524 WeakPolarHBondContact CA-O 3.18Å
517C93.9Very high88.6Confident1 Ų168.1 Ų68.11%0.00732%0.319CS..EExtended strand (participates in β ladder)trans-124.6126.6167-169.50000110L317 L341 H506 V507 I523 V524 F526L317-C517 HydrophobicContact CD2-CB 3.82Å; L317-C517 VanDerWaalsContact CD2-SG 3.57Å; L341-C517 HydrophobicContact CD1-CB 4.18Å; H506-C517 CarbonylContact O-C 3.5Å; H506-C517 VanDerWaalsContact O-CA 3.26Å; H506-C517 WeakPolarHBondContact O-CA 3.34Å; V507-C517 HydrophobicContact CG2-CB 4.48Å; C517-I523 WeakPolarHBondContact O-CA 3.49Å; C517-V524 PolarHBondContact N-O 3.31Å; C517-V524 PolarHBondContact O-N 2.91Å; C517-F526 HydrophobicContact CB-CD1 4.34Å; C517-F526 HydrophobicContact CB-CE1 3.73Å
518T92.5Very high87.9Confident42 Ų4270.2 Ų70.226%0.25833%0.332SS..EExtended strand (participates in β ladder)trans-106.3131.6177.8-500000109.9H506 R522 I523H506-T518 PolarHBondContact N-O 2.91Å; H506-T518 PolarHBondContact O-N 2.87Å; T518-R522 CarbonylContact C-O 3.54Å; T518-R522 VanDerWaalsContact CA-O 3.24Å; T518-R522 WeakPolarHBondContact CA-O 3.39Å; T518-R522 WeakPolarHBondContact CG2-O 3.45Å; T518-I523 HydrophobicContact CG2-CG1 3.95Å
519C92.2Very high87.2Confident6 Ų667.2 Ų67.24%0.04132%0.319CS..EExtended strand (participates in β ladder)trans-132.3118.1170.3-166.50000107.8L317 L505 N521 R522L317-C519 HydrophobicContact CD1-CB 3.67Å; L317-C519 HydrophobicContact CD2-CB 4.25Å; L317-C519 HydrophobicContact CG-CB 3.73Å; L505-C519 HydrophobicContact CD2-CB 3.69Å; C519-N521 PolarHBondContact O-N 3.26Å; C519-N521 VanDerWaalsContact O-N 3.09Å; C519-R522 PolarHBondContact N-O 3.45Å; C519-R522 PolarHBondContact O-N 2.95Å
520E87.5Confident86.3Confident143 Ų14369.2 Ų69.267%0.66834%0.338SS*.THydrogen-bonded Turntrans53-116.4-176.3-57.8171.9-175.100110.6
521N85.5Confident85.3Confident170 Ų17075.6 Ų75.691%0.90936%0.358SS*.THydrogen-bonded Turntrans-98.911.6-179.2-64.2-9000113.4C519C519-N521 PolarHBondContact O-N 3.26Å; C519-N521 VanDerWaalsContact O-N 3.09Å
522R88.8Confident84.8Confident100 Ų10069.7 Ų69.738%0.37733%0.332SS..EExtended strand (participates in β ladder)trans-113.2144.2-177-65.4-177.7-172.2-144.5-7.8111.4L317 E319 T518 C519L317-R522 HydrophobicContact CD1-CB 3.87Å; E319-R522 VanDerWaalsContact CG-CZ 3.49Å; E319-R522 IonicContact OE1-CZ 3.97Å; E319-R522 IonicContact OE1-NH1 3.64Å; E319-R522 PolarHBondContact OE1-NH1 3.19Å; E319-R522 IonicContact OE1-NH2 3.91Å; E319-R522 PolarHBondContact OE1-NH2 2.66Å; E319-R522 IonicContact OE2-CZ 2.81Å; E319-R522 IonicContact OE2-NH1 2.63Å; E319-R522 IonicContact OE2-NH2 3.1Å; E319-R522 PolarHBondContact OE2-NH2 2.82Å; E319-R522 VanDerWaalsContact OE2-NH2 3.13Å; T518-R522 CarbonylContact C-O 3.54Å; T518-R522 VanDerWaalsContact CA-O 3.24Å; T518-R522 WeakPolarHBondContact CA-O 3.39Å; T518-R522 WeakPolarHBondContact CG2-O 3.45Å; C519-R522 PolarHBondContact N-O 3.45Å; C519-R522 PolarHBondContact O-N 2.95Å
523I91.7Very high85Confident84 Ų8464.7 Ų64.743%0.43131%0.307SS..EExtended strand (participates in β ladder)trans-127.9132.8174.4-55.8177.4000106.6C517 T518 Y525C517-I523 WeakPolarHBondContact O-CA 3.49Å; T518-I523 HydrophobicContact CG2-CG1 3.95Å; I523-Y525 HydrophobicContact CG2-CE1 4.3Å; I523-Y525 HydrophobicContact CG2-CE2 3.93Å
524V92.2Very high85.2Confident7 Ų763.3 Ų63.34%0.04230%0.301CS..EExtended strand (participates in β ladder)trans-124.5140.2170.1171.70000108.3L317 S516 C517 Y535L317-V524 HydrophobicContact CB-CB 4.4Å; L317-V524 HydrophobicContact CB-CG2 3.87Å; L317-V524 HydrophobicContact CD1-CB 4.34Å; L317-V524 HydrophobicContact CD1-CG2 3.97Å; L317-V524 HydrophobicContact CG-CG2 4.46Å; S516-V524 CarbonylContact C-O 3.55Å; S516-V524 WeakPolarHBondContact CA-O 3.18Å; C517-V524 PolarHBondContact N-O 3.31Å; C517-V524 PolarHBondContact O-N 2.91Å; V524-Y535 HydrophobicContact CG1-CD1 3.41Å; V524-Y535 VanDerWaalsContact CG1-CD1 3.41Å; V524-Y535 HydrophobicContact CG1-CE1 4.14Å; V524-Y535 HydrophobicContact CG1-CG 4.26Å
525Y91.9Very high85.4Confident43 Ų4360.2 Ų60.217%0.16929%0.29CS..EExtended strand (participates in β ladder)trans-99.4139.9176.3-61-85.7000109.4L510 F515 I523 Y535 H536 E539L510-Y525 HydrophobicContact CD1-CD1 3.57Å; L510-Y525 HydrophobicContact CD1-CE1 3.66Å; F515-Y525 WeakPolarHBondContact O-CA 3.16Å; I523-Y525 HydrophobicContact CG2-CE1 4.3Å; I523-Y525 HydrophobicContact CG2-CE2 3.93Å; Y525-Y535 CarbonylContact O-C 3.56Å; Y525-Y535 WeakPolarHBondContact O-CA 3.28Å; Y525-H536 PolarHBondContact N-O 3.49Å; Y525-H536 VanDerWaalsContact N-O 3.1Å; Y525-H536 PolarHBondContact O-N 3.22Å; Y525-E539 HydrophobicContact CD1-CG 3.8Å; Y525-E539 HydrophobicContact CD2-CG 4.4Å; Y525-E539 HydrophobicContact CE1-CG 3.23Å; Y525-E539 WeakPolarHBondContact CE1-OE1 3.31Å; Y525-E539 HydrophobicContact CE2-CG 3.94Å; Y525-E539 HydrophobicContact CG-CG 4.33Å; Y525-E539 WeakPolarHBondContact OH-CG 2.75Å; Y525-E539 PolarHBondContact OH-OE1 3.26Å
526F91.6Very high84.9Confident4 Ų463.3 Ų63.32%0.01830%0.304CS..EExtended strand (participates in β ladder)trans-146151.3178.966-77.1000111.9L340 L341 V507 F515 C517 V533 V534 Y535L340-F526 HydrophobicContact CB-CD2 4.39Å; L340-F526 HydrophobicContact CB-CE2 3.94Å; L340-F526 HydrophobicContact CD1-CD2 4.47Å; L340-F526 HydrophobicContact CD1-CE2 4.22Å; L341-F526 HydrophobicContact CD1-CZ 4.28Å; L341-F526 HydrophobicContact CD2-CD1 4.43Å; L341-F526 HydrophobicContact CD2-CD2 4.4Å; L341-F526 HydrophobicContact CD2-CE1 4.11Å; L341-F526 HydrophobicContact CD2-CE2 4.04Å; L341-F526 HydrophobicContact CD2-CZ 3.88Å; L341-F526 HydrophobicContact CG-CE1 4.44Å; L341-F526 HydrophobicContact CG-CE2 4.17Å; L341-F526 HydrophobicContact CG-CZ 3.86Å; V507-F526 HydrophobicContact CG1-CE1 4.41Å; V507-F526 HydrophobicContact CG1-CZ 3.9Å; F515-F526 HydrophobicContact CB-CD1 4.01Å; F515-F526 HydrophobicContact CB-CD2 4.2Å; F515-F526 HydrophobicContact CB-CE1 3.49Å; F515-F526 VanDerWaalsContact CB-CE1 3.49Å; F515-F526 HydrophobicContact CB-CE2 3.74Å; F515-F526 HydrophobicContact CB-CG 4.33Å; F515-F526 HydrophobicContact CB-CZ 3.37Å; F515-F526 HydrophobicContact CD2-CD2 4.26Å; F515-F526 AromaticContact CD2-CE2 3.93Å; F515-F526 HydrophobicContact CD2-CE2 3.93Å; F515-F526 HydrophobicContact CD2-CZ 4.39Å; F515-F526 HydrophobicContact CG-CE2 4.01Å; F515-F526 AromaticContact CG-CZ 4Å; F515-F526 HydrophobicContact CG-CZ 4Å; F515-F526 PolarHBondContact N-O 2.75Å; F515-F526 PolarHBondContact O-N 2.87Å; C517-F526 HydrophobicContact CB-CD1 4.34Å; C517-F526 HydrophobicContact CB-CE1 3.73Å; F526-V533 HydrophobicContact CB-CG1 4.08Å; F526-V533 HydrophobicContact CD2-CG1 3.99Å; F526-V533 HydrophobicContact CG-CG1 4.44Å; F526-V534 VanDerWaalsContact CA-O 3.24Å; F526-V534 WeakPolarHBondContact CA-O 3.43Å; F526-Y535 HydrophobicContact CB-CD1 3.61Å; F526-Y535 HydrophobicContact CB-CE1 3.7Å; F526-Y535 HydrophobicContact CB-CG 4.44Å; F526-Y535 HydrophobicContact CD1-CE1 4.49Å; F526-Y535 HydrophobicContact CG-CD1 4.48Å; F526-Y535 HydrophobicContact CG-CE1 4.15Å
527R85.1Confident83.8Confident96 Ų9669.3 Ų69.336%0.36234%0.335SS..EExtended strand (participates in β ladder)trans-137.8154.9177.564.1-176.3-17799.1-0.6111.1N513 R514 T529 V534 H536N513-R527 WeakPolarHBondContact O-CA 3.24Å; N513-R527 WeakPolarHBondContact O-CB 3.46Å; R514-R527 HydrophobicContact CG-CB 4.23Å; R527-T529 HydrophobicContact CG-CG2 4.49Å; R527-V534 HydrophobicContact CG-CB 4.45Å; R527-V534 PolarHBondContact N-O 3.17Å; R527-V534 PolarHBondContact O-N 2.8Å; R527-H536 PolarHBondContact NE-NE2 2.71Å
528T79.3Confident82.4Confident44 Ų4477.1 Ų77.127%0.2737%0.372SS..EExtended strand (participates in β ladder)trans-84141.1168.3-174.10000110.2L340 N513L340-T528 HydrophobicContact CD1-CG2 4.48Å; N513-T528 HydrophobicContact CB-CG2 3.65Å; N513-T528 PolarHBondContact O-N 2.6Å
529T74.3Confident80.6Confident30 Ų3083 Ų8318%0.18440%0.397CS..EExtended strand (participates in β ladder)trans-130.7168.5170.765.20000108.4R527 R531 G532 V534R527-T529 HydrophobicContact CG-CG2 4.49Å; T529-R531 PolarHBondContact O-N 3.37Å; T529-R531 PolarHBondContact OG1-N 2.92Å; T529-G532 PolarHBondContact N-O 3.24Å; T529-G532 PolarHBondContact O-N 3.18Å; T529-G532 PolarHBondContact OG1-N 2.74Å; T529-G532 PolarHBondContact OG1-O 2.95Å; T529-V534 HydrophobicContact CG2-CB 4.4Å; T529-V534 HydrophobicContact CG2-CG2 3.66Å
530D68.1Low80Confident153 Ų15386.9 Ų86.982%0.81842%0.415SS*.THydrogen-bonded Turntrans-57.4-16.9173.13.3-41.9000112.3
531R65.8Low79.6Confident203 Ų20383.9 Ų83.977%0.76640%0.401SS*.THydrogen-bonded Turntrans-104.910.8176.1-58.2-172.7-177.5-169.5-1.1114.6C382 T529C382-R531 HydrophobicContact CB-CB 4.32Å; C382-R531 VanDerWaalsContact CB-O 3.28Å; C382-R531 WeakPolarHBondContact CB-O 3.45Å; C382-R531 VanDerWaalsContact SG-CA 3.58Å; T529-R531 PolarHBondContact O-N 3.37Å; T529-R531 PolarHBondContact OG1-N 2.92Å
532G71.5Confident79.3Confident7 Ų779.2 Ų79.27%0.07237%0.373CS..EExtended strand (participates in β ladder)trans102.6-153.4-178.900000114.3T529T529-G532 PolarHBondContact N-O 3.24Å; T529-G532 PolarHBondContact O-N 3.18Å; T529-G532 PolarHBondContact OG1-N 2.74Å; T529-G532 PolarHBondContact OG1-O 2.95Å
533V82.8Confident78.7Confident20 Ų2077.9 Ų77.912%0.12137%0.373CS..EExtended strand (participates in β ladder)trans-83.1127.8-172.9-1730000111.2L340 F526 Y535L340-V533 HydrophobicContact CB-CG2 4Å; L340-V533 HydrophobicContact CD2-CG2 3.95Å; F526-V533 HydrophobicContact CB-CG1 4.08Å; F526-V533 HydrophobicContact CD2-CG1 3.99Å; F526-V533 HydrophobicContact CG-CG1 4.44Å; V533-Y535 HydrophobicContact CG1-CE1 4.35Å; V533-Y535 HydrophobicContact CG1-CE2 3.92Å
534V85Confident77.9Confident52 Ų5277.6 Ų77.632%0.31537%0.369SS..EExtended strand (participates in β ladder)trans-118.9128.9175.8-175.10000109.8F526 R527 T529F526-V534 VanDerWaalsContact CA-O 3.24Å; F526-V534 WeakPolarHBondContact CA-O 3.43Å; R527-V534 HydrophobicContact CG-CB 4.45Å; R527-V534 PolarHBondContact N-O 3.17Å; R527-V534 PolarHBondContact O-N 2.8Å; T529-V534 HydrophobicContact CG2-CB 4.4Å; T529-V534 HydrophobicContact CG2-CG2 3.66Å
535Y88Confident77Confident49 Ų4982.3 Ų82.319%0.19239%0.391CS..EExtended strand (participates in β ladder)trans-97.2145.2-179.9-67-77000112.2G315 L341 D344 V524 Y525 F526 V533G315-Y535 VanDerWaalsContact CA-CG 3.42Å; L341-Y535 HydrophobicContact CD2-CE1 4.4Å; D344-Y535 WeakPolarHBondContact OD2-CE2 3.27Å; D344-Y535 PolarHBondContact OD2-OH 3.21Å; V524-Y535 HydrophobicContact CG1-CD1 3.41Å; V524-Y535 VanDerWaalsContact CG1-CD1 3.41Å; V524-Y535 HydrophobicContact CG1-CE1 4.14Å; V524-Y535 HydrophobicContact CG1-CG 4.26Å; Y525-Y535 CarbonylContact O-C 3.56Å; Y525-Y535 WeakPolarHBondContact O-CA 3.28Å; F526-Y535 HydrophobicContact CB-CD1 3.61Å; F526-Y535 HydrophobicContact CB-CE1 3.7Å; F526-Y535 HydrophobicContact CB-CG 4.44Å; F526-Y535 HydrophobicContact CD1-CE1 4.49Å; F526-Y535 HydrophobicContact CG-CD1 4.48Å; F526-Y535 HydrophobicContact CG-CE1 4.15Å; V533-Y535 HydrophobicContact CG1-CE1 4.35Å; V533-Y535 HydrophobicContact CG1-CE2 3.92Å
536H82.6Confident75.9Confident69 Ų6985.1 Ų85.132%0.31941%0.407SS..EExtended strand (participates in β ladder)trans-135.8144.6176.4-53.8-73.8000109.3Y525 R527Y525-H536 PolarHBondContact N-O 3.49Å; Y525-H536 VanDerWaalsContact N-O 3.1Å; Y525-H536 PolarHBondContact O-N 3.22Å; R527-H536 PolarHBondContact NE-NE2 2.71Å
537N69.7Low74.7Confident132 Ų13291.3 Ų91.371%0.70644%0.437SS*.SBendtrans-88.4-13.7177.5-71.1-13.2000113
538E64.1Low73.8Confident165 Ų16590.9 Ų90.977%0.77144%0.443SS*.  trans-134.8152.5-179.1-62.7-178.917600109.5
539E54.7Low73.3Confident167 Ų16795.2 Ų95.278%0.7846%0.459SS*.  trans-63.70-172-83.8-171.1175.100116.8R514 Y525R514-E539 PolarHBondContact NH1-OXT 2.77Å; Y525-E539 HydrophobicContact CD1-CG 3.8Å; Y525-E539 HydrophobicContact CD2-CG 4.4Å; Y525-E539 HydrophobicContact CE1-CG 3.23Å; Y525-E539 WeakPolarHBondContact CE1-OE1 3.31Å; Y525-E539 HydrophobicContact CE2-CG 3.94Å; Y525-E539 HydrophobicContact CG-CG 4.33Å; Y525-E539 WeakPolarHBondContact OH-CG 2.75Å; Y525-E539 PolarHBondContact OH-OE1 3.26Å

Retrieved 539 of 539 residues in 165.5 ms (Link to these results)

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