A0A077ZGM1_TRITR Loading...

RNA helicase

AlphaFold DB , UniProt , Accession A0A077ZGM1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 313 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
1M58.4Low82.4Confident83 Ų8350.6 Ų50.641%0.40928%0.279SS..  0-60.40-161.2167.171.200110.2A3 A4 E5 E235M1-A3 PolarHBondContact O-N 3.18Å; M1-A4 WeakPolarHBondContact O-CB 3.4Å; M1-A4 PolarHBondContact O-N 3.36Å; M1-E5 PolarHBondContact O-N 2.95Å; M1-E235 HydrophobicContact CE-CB 4.31Å
2I72.3Confident83.1Confident29 Ų2958.4 Ų58.415%0.14931%0.312CS..Hα-helixtrans-52-47.4-175.8-73.3159.5000115.3A4 E5 L6 E235I2-A4 PolarHBondContact O-N 3.48Å; I2-A4 VanDerWaalsContact O-N 3.11Å; I2-E5 PolarHBondContact O-N 3.28Å; I2-E5 VanDerWaalsContact O-N 3.08Å; I2-L6 HydrophobicContact CG2-CD1 3.59Å; I2-L6 HydrophobicContact CG2-CG 4.01Å; I2-L6 WeakPolarHBondContact O-CB 3.24Å; I2-L6 WeakPolarHBondContact O-CG 3.41Å; I2-L6 PolarHBondContact O-N 2.93Å; I2-E235 WeakPolarHBondContact CD1-OE2 3.49Å
3A79.4Confident83.9Confident14 Ų1464.9 Ų64.912%0.11635%0.346CS..Hα-helixtrans-62.8-22.8179.400000113.9M1 H7 C25 I45M1-A3 PolarHBondContact O-N 3.18Å; A3-H7 VanDerWaalsContact O-CB 3.23Å; A3-H7 WeakPolarHBondContact O-CB 3.5Å; A3-H7 PolarHBondContact O-N 3.43Å; A3-C25 WeakPolarHBondContact CB-SG 3.49Å; A3-I45 HydrophobicContact CB-CG2 3.9Å
4A78.7Confident84.6Confident46 Ų4663.1 Ų63.138%0.3834%0.335SS..Hα-helixtrans-81.2-38.1173.200000111.9M1 I2 H7 N8M1-A4 WeakPolarHBondContact O-CB 3.4Å; M1-A4 PolarHBondContact O-N 3.36Å; I2-A4 PolarHBondContact O-N 3.48Å; I2-A4 VanDerWaalsContact O-N 3.11Å; A4-H7 WeakPolarHBondContact O-CB 3.48Å; A4-H7 PolarHBondContact O-N 3.41Å; A4-N8 PolarHBondContact O-N 2.82Å
5E79.8Confident85.1Confident48 Ų4869.9 Ų69.922%0.22436%0.357CS..Hα-helixtrans-64.8-50.7174.1-66.3174.4160.500110.8M1 I2 H7 N8 D9M1-E5 PolarHBondContact O-N 2.95Å; I2-E5 PolarHBondContact O-N 3.28Å; I2-E5 VanDerWaalsContact O-N 3.08Å; E5-H7 PolarHBondContact O-N 2.82Å; E5-N8 WeakPolarHBondContact O-CA 3.48Å; E5-N8 WeakPolarHBondContact O-CB 3.5Å; E5-N8 PolarHBondContact O-N 2.64Å; E5-D9 PolarHBondContact O-N 2.89Å
6L86.6Confident85.6Confident69 Ų6975.6 Ų75.636%0.36138%0.381SS..Hα-helixtrans-57.4-32.5172.9-72.3175.5000112.4I2 A10 I45I2-L6 HydrophobicContact CG2-CD1 3.59Å; I2-L6 HydrophobicContact CG2-CG 4.01Å; I2-L6 WeakPolarHBondContact O-CB 3.24Å; I2-L6 WeakPolarHBondContact O-CG 3.41Å; I2-L6 PolarHBondContact O-N 2.93Å; L6-A10 WeakPolarHBondContact O-CB 3.11Å; L6-A10 PolarHBondContact O-N 2.8Å; L6-I45 HydrophobicContact CB-CD1 4.1Å; L6-I45 HydrophobicContact CB-CG2 3.99Å; L6-I45 HydrophobicContact CD1-CG2 4.26Å; L6-I45 WeakPolarHBondContact O-CD1 3.41Å
7H90.5Very high86.2Confident34 Ų3475.3 Ų75.316%0.15738%0.384CS..Hα-helixtrans-68.9-38.9174.4177.8-131000112.4A3 A4 E5 N11 A21 S23 I45A3-H7 VanDerWaalsContact O-CB 3.23Å; A3-H7 WeakPolarHBondContact O-CB 3.5Å; A3-H7 PolarHBondContact O-N 3.43Å; A4-H7 WeakPolarHBondContact O-CB 3.48Å; A4-H7 PolarHBondContact O-N 3.41Å; E5-H7 PolarHBondContact O-N 2.82Å; H7-N11 PolarHBondContact CE1-ND2 3.22Å; H7-N11 PolarHBondContact NE2-ND2 3.21Å; H7-N11 PolarHBondContact O-N 3.11Å; H7-N11 PolarHBondContact O-ND2 3.06Å; H7-A21 PolarHBondContact NE2-O 2.87Å; H7-S23 PolarHBondContact ND1-OG 3.36Å; H7-I45 HydrophobicContact CB-CD1 4.37Å
8N87.1Confident86.5Confident83 Ų8375.4 Ų75.444%0.44441%0.407SS..Hα-helixtrans-65.6-45.8173.8-69.7-25.2000111.3A4 E5 A10 N11 Q12A4-N8 PolarHBondContact O-N 2.82Å; E5-N8 WeakPolarHBondContact O-CA 3.48Å; E5-N8 WeakPolarHBondContact O-CB 3.5Å; E5-N8 PolarHBondContact O-N 2.64Å; N8-A10 VanDerWaalsContact C-N 3.34Å; N8-A10 PolarHBondContact O-N 2.84Å; N8-N11 PolarHBondContact O-N 3.18Å; N8-N11 VanDerWaalsContact O-N 3.16Å; N8-Q12 PolarHBondContact O-N 3.35Å; N8-Q12 VanDerWaalsContact O-N 3.14Å
9D88.5Confident87Confident75 Ų7577.4 Ų77.440%0.40141%0.411SS..Hα-helixtrans-62.8-43177.2-67-13.2000111E5 N11 Q12 L13E5-D9 PolarHBondContact O-N 2.89Å; D9-N11 VanDerWaalsContact C-N 3.31Å; D9-N11 PolarHBondContact O-N 3.44Å; D9-Q12 WeakPolarHBondContact O-CB 3.49Å; D9-Q12 PolarHBondContact O-N 3.44Å; D9-Q12 VanDerWaalsContact O-N 3.11Å; D9-L13 WeakPolarHBondContact O-CG 3.1Å; D9-L13 PolarHBondContact O-N 2.85Å
10A92.8Very high87.4Confident8 Ų877 Ų777%0.06640%0.404CS..Hα-helixtrans-59.2-41.1173.900000112.1L6 N8 Q12 L13 L14 A21 L43 I45L6-A10 WeakPolarHBondContact O-CB 3.11Å; L6-A10 PolarHBondContact O-N 2.8Å; N8-A10 VanDerWaalsContact C-N 3.34Å; N8-A10 PolarHBondContact O-N 2.84Å; A10-Q12 VanDerWaalsContact C-N 3.27Å; A10-Q12 PolarHBondContact O-N 3.35Å; A10-L13 PolarHBondContact O-N 3.34Å; A10-L14 VanDerWaalsContact O-CB 3.27Å; A10-L14 WeakPolarHBondContact O-CB 3.48Å; A10-L14 WeakPolarHBondContact O-CG 3.37Å; A10-L14 PolarHBondContact O-N 3.31Å; A10-A21 HydrophobicContact CB-CB 3.99Å; A10-L43 HydrophobicContact CB-CD2 3.73Å; A10-I45 HydrophobicContact CB-CD1 3.81Å
11N92.3Very high87.8Confident68 Ų6873.5 Ų73.536%0.36439%0.386SS..Hα-helixtrans-64.2-33.5177-70.4-38.9000112.3H7 N8 D9 Y15H7-N11 PolarHBondContact CE1-ND2 3.22Å; H7-N11 PolarHBondContact NE2-ND2 3.21Å; H7-N11 PolarHBondContact O-N 3.11Å; H7-N11 PolarHBondContact O-ND2 3.06Å; N8-N11 PolarHBondContact O-N 3.18Å; N8-N11 VanDerWaalsContact O-N 3.16Å; D9-N11 VanDerWaalsContact C-N 3.31Å; D9-N11 PolarHBondContact O-N 3.44Å; N11-Y15 PolarHBondContact O-N 3.26Å
12Q91.2Very high89.5Confident144 Ų14469.8 Ų69.867%0.67337%0.368SS*.Hα-helixtrans-69-45.2173.8-64.2179.318.300111.3N8 D9 A10 L14 Y15N8-Q12 PolarHBondContact O-N 3.35Å; N8-Q12 VanDerWaalsContact O-N 3.14Å; D9-Q12 WeakPolarHBondContact O-CB 3.49Å; D9-Q12 PolarHBondContact O-N 3.44Å; D9-Q12 VanDerWaalsContact O-N 3.11Å; A10-Q12 VanDerWaalsContact C-N 3.27Å; A10-Q12 PolarHBondContact O-N 3.35Å; Q12-L14 VanDerWaalsContact C-N 3.33Å; Q12-L14 PolarHBondContact O-N 3.35Å; Q12-Y15 WeakPolarHBondContact O-CB 3.41Å; Q12-Y15 PolarHBondContact O-N 2.99Å
13L92.8Very high90.5Very high143 Ų14369.9 Ų69.975%0.74937%0.372SS*.Hα-helixtrans-67.4-32.9179.1-66.9173.4000113D9 A10 Y15D9-L13 WeakPolarHBondContact O-CG 3.1Å; D9-L13 PolarHBondContact O-N 2.85Å; A10-L13 PolarHBondContact O-N 3.34Å; L13-Y15 VanDerWaalsContact C-N 3.26Å; L13-Y15 PolarHBondContact O-N 3.19Å
14L94Very high91.2Very high39 Ų3969.2 Ų69.220%0.20437%0.366CS..THydrogen-bonded Turntrans-84.30.4177.8-63.8-179.7000113A10 Q12 H16 T17 K19 A21 L43A10-L14 VanDerWaalsContact O-CB 3.27Å; A10-L14 WeakPolarHBondContact O-CB 3.48Å; A10-L14 WeakPolarHBondContact O-CG 3.37Å; A10-L14 PolarHBondContact O-N 3.31Å; Q12-L14 VanDerWaalsContact C-N 3.33Å; Q12-L14 PolarHBondContact O-N 3.35Å; L14-H16 PolarHBondContact O-N 2.82Å; L14-T17 WeakPolarHBondContact CA-OG1 3.3Å; L14-T17 WeakPolarHBondContact O-CB 3.3Å; L14-T17 PolarHBondContact O-N 3.18Å; L14-T17 PolarHBondContact O-OG1 3.24Å; L14-K19 HydrophobicContact CD1-CB 4.2Å; L14-K19 HydrophobicContact CD2-CB 3.95Å; L14-K19 HydrophobicContact CG-CB 4.46Å; L14-A21 HydrophobicContact CD1-CB 3.76Å; L14-L43 HydrophobicContact CD1-CB 4.44Å; L14-L43 HydrophobicContact CD1-CD2 4.3Å
15Y92.2Very high91.8Very high166 Ų16668 Ų6865%0.65135%0.354SS*.THydrogen-bonded Turntrans-55.7130.8178-170.1-114.3000110.6N11 Q12 L13 T17N11-Y15 PolarHBondContact O-N 3.26Å; Q12-Y15 WeakPolarHBondContact O-CB 3.41Å; Q12-Y15 PolarHBondContact O-N 2.99Å; L13-Y15 VanDerWaalsContact C-N 3.26Å; L13-Y15 PolarHBondContact O-N 3.19Å; Y15-T17 PolarHBondContact O-N 2.59Å; Y15-T17 VanDerWaalsContact O-N 3.12Å
16H92.5Very high92.1Very high161 Ų16168.2 Ų68.275%0.74536%0.361SS*.THydrogen-bonded Turntrans607.7-173.2-67.3-61.4000117.9L14L14-H16 PolarHBondContact O-N 2.82Å
17T95.8Very high91.9Very high70 Ų7068.9 Ų68.943%0.42939%0.385SS..SBendtrans-82.7-15.2174.867.20000113.5L14 Y15 K19L14-T17 WeakPolarHBondContact CA-OG1 3.3Å; L14-T17 WeakPolarHBondContact O-CB 3.3Å; L14-T17 PolarHBondContact O-N 3.18Å; L14-T17 PolarHBondContact O-OG1 3.24Å; Y15-T17 PolarHBondContact O-N 2.59Å; Y15-T17 VanDerWaalsContact O-N 3.12Å; T17-K19 PolarHBondContact O-N 3.12Å; T17-K19 VanDerWaalsContact OG1-CB 3.28Å; T17-K19 WeakPolarHBondContact OG1-CB 3.46Å; T17-K19 WeakPolarHBondContact OG1-CG 3.12Å; T17-K19 PolarHBondContact OG1-N 3.45Å; T17-K19 VanDerWaalsContact OG1-N 3.17Å
18G92.7Very high91.7Very high78 Ų7870.5 Ų70.580%0.80440%0.397SS*.  trans73.44-170.600000114
19K95.3Very high91.8Very high113 Ų11374.9 Ų74.949%0.49141%0.412SS..  trans-91.9150.5179.2-59-71.6178.6164.40111.2L14 T17 D42L14-K19 HydrophobicContact CD1-CB 4.2Å; L14-K19 HydrophobicContact CD2-CB 3.95Å; L14-K19 HydrophobicContact CG-CB 4.46Å; T17-K19 PolarHBondContact O-N 3.12Å; T17-K19 VanDerWaalsContact OG1-CB 3.28Å; T17-K19 WeakPolarHBondContact OG1-CB 3.46Å; T17-K19 WeakPolarHBondContact OG1-CG 3.12Å; T17-K19 PolarHBondContact OG1-N 3.45Å; T17-K19 VanDerWaalsContact OG1-N 3.17Å; K19-D42 VanDerWaalsContact CA-OD2 3.31Å; K19-D42 WeakPolarHBondContact CA-OD2 3.46Å; K19-D42 HydrophobicContact CB-CB 4.17Å; K19-D42 HydrophobicContact CD-CB 3.72Å; K19-D42 WeakPolarHBondContact CD-OD1 3.05Å; K19-D42 IonicContact NZ-OD1 3.82Å; K19-D42 PolarHBondContact NZ-OD1 2.9Å
20R95Very high92Very high68 Ų6873.5 Ų73.526%0.25740%0.401SS..  trans-119.7127.6-178.2-177.4169173.2-101.3-2.1112.5V22 Q36 G40 C41 D42 L43R20-V22 HydrophobicContact CG-CG2 4.48Å; R20-Q36 VanDerWaalsContact CZ-O 3.31Å; R20-Q36 PolarHBondContact NH1-O 3.01Å; R20-Q36 PolarHBondContact NH2-O 3.3Å; R20-G40 PolarHBondContact NH1-O 3.49Å; R20-C41 WeakPolarHBondContact O-CB 3.45Å; R20-D42 PolarHBondContact N-OD2 3.03Å; R20-D42 PolarHBondContact O-N 3.43Å; R20-L43 PolarHBondContact O-N 3.49Å; R20-L43 VanDerWaalsContact O-N 3.14Å
21A95.8Very high92Very high5 Ų581.2 Ų81.24%0.04143%0.433CS..EExtended strand (participates in β ladder)trans-98.3142.7170.200000112H7 A10 L14 L43H7-A21 PolarHBondContact NE2-O 2.87Å; A10-A21 HydrophobicContact CB-CB 3.99Å; L14-A21 HydrophobicContact CD1-CB 3.76Å; A21-L43 CarbonylContact C-O 3.56Å; A21-L43 VanDerWaalsContact CA-O 3.28Å; A21-L43 WeakPolarHBondContact CA-O 3.42Å; A21-L43 HydrophobicContact CB-CB 4.15Å; A21-L43 HydrophobicContact CB-CD2 4.11Å; A21-L43 HydrophobicContact CB-CG 4.31Å
22V95.1Very high91.9Very high4 Ų482.9 Ų82.92%0.02444%0.442CS..EExtended strand (participates in β ladder)trans-133.5141.5174.6174.30000110.4R20 Q36 I37 C41 L43 I44 I45R20-V22 HydrophobicContact CG-CG2 4.48Å; V22-Q36 HydrophobicContact CG1-CB 3.98Å; V22-I37 HydrophobicContact CG1-CG1 3.85Å; V22-C41 HydrophobicContact CB-CB 4.06Å; V22-C41 HydrophobicContact CG2-CB 3.61Å; V22-L43 PolarHBondContact N-O 3.26Å; V22-I44 WeakPolarHBondContact O-CA 3.28Å; V22-I44 WeakPolarHBondContact O-CG1 3.31Å; V22-I45 PolarHBondContact O-N 2.93Å
23S93.4Very high92Very high32 Ų3276.4 Ų76.422%0.22441%0.411CS..EExtended strand (participates in β ladder)trans-97.6139.9173.451.30000113.3H7 I45H7-S23 PolarHBondContact ND1-OG 3.36Å; S23-I45 CarbonylContact C-O 3.5Å; S23-I45 WeakPolarHBondContact CA-O 3.24Å
24A93.3Very high92.1Very high0 Ų074.5 Ų74.50%039%0.394CS..EExtended strand (participates in β ladder)trans-137.479.9-179.100000111.1I37 I44 I45 G46 T47 R50 L51 F54A24-I37 HydrophobicContact CB-CD1 4.32Å; A24-I44 HydrophobicContact CB-CD1 4.1Å; A24-I44 HydrophobicContact CB-CG1 4.31Å; A24-I45 PolarHBondContact N-O 3.31Å; A24-G46 CarbonylContact O-C 3.57Å; A24-G46 WeakPolarHBondContact O-CA 3.35Å; A24-T47 PolarHBondContact O-N 3.34Å; A24-R50 HydrophobicContact CB-CG 4.12Å; A24-R50 WeakPolarHBondContact O-CB 3.4Å; A24-R50 WeakPolarHBondContact O-CG 3.39Å; A24-L51 HydrophobicContact CB-CD2 3.72Å; A24-F54 HydrophobicContact CB-CD2 4.28Å; A24-F54 HydrophobicContact CB-CE2 4.1Å
25C90.3Very high92.2Very high19 Ų1979.8 Ų79.813%0.12842%0.416CS..  trans-105.3150.8-176.9-47.80000112.5A3 Q33 R50A3-C25 WeakPolarHBondContact CB-SG 3.49Å; C25-Q33 PolarHBondContact O-NE2 3.47Å; C25-Q33 PolarHBondContact O-OE1 3.32Å; C25-R50 PolarHBondContact O-NE 3.12Å
26C86.5Confident92.3Very high53 Ų5375.9 Ų75.936%0.35840%0.403SS..THydrogen-bonded Turntrans-60.6154.9160.5-68.40000111.3V28 T47C26-V28 VanDerWaalsContact C-N 3.28Å; C26-V28 PolarHBondContact O-N 2.99Å; C26-T47 PolarHBondContact N-OG1 3.23Å; C26-T47 PolarHBondContact SG-OG1 3.49Å
27G84Confident92.4Very high84 Ų8468.7 Ų68.787%0.86637%0.37SS*.THydrogen-bonded Turntrans84.8-22.5-176.800000115.7
28V85.6Confident92.3Very high68 Ų6870.1 Ų70.141%0.41237%0.374SS..SBendtrans-92.6146.5176.4-179.50000110.7C26 Y30 Q33C26-V28 VanDerWaalsContact C-N 3.28Å; C26-V28 PolarHBondContact O-N 2.99Å; V28-Y30 PolarHBondContact O-N 3.17Å; V28-Y30 VanDerWaalsContact O-N 3.09Å; V28-Q33 HydrophobicContact CG1-CG 4.06Å
29K89.4Confident92.4Very high174 Ų17472.6 Ų72.676%0.75737%0.369SS*.  trans-56.6115.9-178.9-70.6-178.8-179.9174.10111.5K31 L32 Q33K29-K31 VanDerWaalsContact C-N 3.3Å; K29-K31 PolarHBondContact O-N 2.93Å; K29-L32 HydrophobicContact CB-CB 4.41Å; K29-L32 WeakPolarHBondContact O-CB 3.28Å; K29-L32 PolarHBondContact O-N 3.28Å; K29-Q33 PolarHBondContact O-N 2.91Å
30Y91Very high92.3Very high47 Ų4769.2 Ų69.218%0.18437%0.366CS..Hα-helixtrans-51.7-43.8-178.8-173.1-106.8000113.8V28 L32 Q33 R34 F54 E57V28-Y30 PolarHBondContact O-N 3.17Å; V28-Y30 VanDerWaalsContact O-N 3.09Å; Y30-L32 VanDerWaalsContact C-N 3.25Å; Y30-L32 PolarHBondContact O-N 2.95Å; Y30-Q33 PolarHBondContact O-N 3.09Å; Y30-R34 VanDerWaalsContact O-CB 3.3Å; Y30-R34 WeakPolarHBondContact O-CB 3.48Å; Y30-R34 PolarHBondContact O-N 2.66Å; Y30-F54 AromaticContact CD2-CE1 3.79Å; Y30-F54 HydrophobicContact CD2-CE1 3.79Å; Y30-F54 HydrophobicContact CD2-CE2 4.13Å; Y30-F54 AromaticContact CD2-CZ 3.48Å; Y30-F54 HydrophobicContact CD2-CZ 3.48Å; Y30-F54 VanDerWaalsContact CD2-CZ 3.48Å; Y30-F54 HydrophobicContact CE1-CE1 4.04Å; Y30-F54 AromaticContact CE2-CD1 3.59Å; Y30-F54 HydrophobicContact CE2-CD1 3.59Å; Y30-F54 HydrophobicContact CE2-CD2 4.18Å; Y30-F54 AromaticContact CE2-CE1 3.1Å; Y30-F54 HydrophobicContact CE2-CE1 3.1Å; Y30-F54 AromaticContact CE2-CE2 3.77Å; Y30-F54 HydrophobicContact CE2-CE2 3.77Å; Y30-F54 HydrophobicContact CE2-CG 4.09Å; Y30-F54 AromaticContact CE2-CZ 3.2Å; Y30-F54 HydrophobicContact CE2-CZ 3.2Å; Y30-F54 HydrophobicContact CG-CZ 4.36Å; Y30-F54 AromaticContact CZ-CD1 3.58Å; Y30-F54 AromaticContact CZ-CE1 3.24Å; Y30-F54 AromaticContact CZ-CZ 3.85Å; Y30-F54 WeakPolarHBondContact OH-CD1 3.27Å; Y30-F54 VanDerWaalsContact OH-CE1 3.3Å; Y30-F54 WeakPolarHBondContact OH-CE1 3.17Å; Y30-E57 PolarHBondContact OH-OE1 3.14Å; Y30-E57 PolarHBondContact OH-OE2 2.87Å
31K92.9Very high92.2Very high170 Ų17068.2 Ų68.274%0.73937%0.369SS*.Hα-helixtrans-60.4-33.5-179.9-69.1-175.1-179.2178.90113K29 K35K29-K31 VanDerWaalsContact C-N 3.3Å; K29-K31 PolarHBondContact O-N 2.93Å; K31-K35 WeakPolarHBondContact O-CG 3.45Å; K31-K35 PolarHBondContact O-N 2.74Å
32L91.8Very high92.1Very high102 Ų10272.4 Ų72.453%0.53439%0.391SS..Hα-helixtrans-71.8-49.8178.9-178.464.5000110.4K29 Y30 R34 K35 Q36K29-L32 HydrophobicContact CB-CB 4.41Å; K29-L32 WeakPolarHBondContact O-CB 3.28Å; K29-L32 PolarHBondContact O-N 3.28Å; Y30-L32 VanDerWaalsContact C-N 3.25Å; Y30-L32 PolarHBondContact O-N 2.95Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 2.95Å; L32-K35 PolarHBondContact O-N 3.39Å; L32-Q36 PolarHBondContact O-N 2.96Å
33Q93.1Very high92.2Very high8 Ų875.7 Ų75.74%0.03741%0.408CS..Hα-helixtrans-59.7-43.4175.9-71.7176.9-22.200111.7C25 V28 K29 Y30 K35 Q36 I37 F54C25-Q33 PolarHBondContact O-NE2 3.47Å; C25-Q33 PolarHBondContact O-OE1 3.32Å; V28-Q33 HydrophobicContact CG1-CG 4.06Å; K29-Q33 PolarHBondContact O-N 2.91Å; Y30-Q33 PolarHBondContact O-N 3.09Å; Q33-K35 VanDerWaalsContact C-N 3.32Å; Q33-K35 PolarHBondContact O-N 2.91Å; Q33-Q36 WeakPolarHBondContact O-CB 3.47Å; Q33-Q36 PolarHBondContact O-N 3.43Å; Q33-I37 WeakPolarHBondContact O-CG1 3.35Å; Q33-I37 PolarHBondContact O-N 3.34Å; Q33-F54 HydrophobicContact CB-CE2 4.15Å; Q33-F54 HydrophobicContact CB-CZ 3.76Å
34R95.2Very high92.3Very high104 Ų10476.3 Ų76.339%0.39241%0.408SS..Hα-helixtrans-55.7-46.2175.9-175.4178.2146.1-173.9-6.1111.9Y30 L32 Q36 I37 L38 F54Y30-R34 VanDerWaalsContact O-CB 3.3Å; Y30-R34 WeakPolarHBondContact O-CB 3.48Å; Y30-R34 PolarHBondContact O-N 2.66Å; L32-R34 VanDerWaalsContact C-N 3.33Å; L32-R34 PolarHBondContact O-N 2.95Å; R34-Q36 VanDerWaalsContact C-N 3.29Å; R34-Q36 PolarHBondContact O-N 3.37Å; R34-I37 PolarHBondContact O-N 3.37Å; R34-L38 HydrophobicContact CG-CD1 3.9Å; R34-L38 HydrophobicContact CG-CG 4.28Å; R34-L38 WeakPolarHBondContact O-CB 3.44Å; R34-L38 VanDerWaalsContact O-CG 3.24Å; R34-L38 WeakPolarHBondContact O-CG 3.2Å; R34-L38 PolarHBondContact O-N 2.85Å; R34-F54 HydrophobicContact CB-CE1 3.82Å; R34-F54 HydrophobicContact CB-CZ 4.41Å; R34-F54 HydrophobicContact CG-CE1 4.31Å
35K94.7Very high92.4Very high150 Ų15077.6 Ų77.665%0.65242%0.415SS*.Hα-helixtrans-59.6-42.6176.9-76.1179.6178.4-172.60111.2K31 L32 Q33 L39K31-K35 WeakPolarHBondContact O-CG 3.45Å; K31-K35 PolarHBondContact O-N 2.74Å; L32-K35 PolarHBondContact O-N 3.39Å; Q33-K35 VanDerWaalsContact C-N 3.32Å; Q33-K35 PolarHBondContact O-N 2.91Å; K35-L39 WeakPolarHBondContact O-CG 3.27Å; K35-L39 PolarHBondContact O-N 3.28Å
36Q93.8Very high92.5Very high84 Ų8477.9 Ų77.939%0.39342%0.421SS..Hα-helixtrans-66-42.8178-65.8-62.6-31.100112.2R20 V22 L32 Q33 R34 L39R20-Q36 VanDerWaalsContact CZ-O 3.31Å; R20-Q36 PolarHBondContact NH1-O 3.01Å; R20-Q36 PolarHBondContact NH2-O 3.3Å; V22-Q36 HydrophobicContact CG1-CB 3.98Å; L32-Q36 PolarHBondContact O-N 2.96Å; Q33-Q36 WeakPolarHBondContact O-CB 3.47Å; Q33-Q36 PolarHBondContact O-N 3.43Å; R34-Q36 VanDerWaalsContact C-N 3.29Å; R34-Q36 PolarHBondContact O-N 3.37Å; Q36-L39 PolarHBondContact O-N 3.09Å
37I95.3Very high92.8Very high9 Ų977.9 Ų77.95%0.04642%0.419CS..Hα-helixtrans-64.5-41.9178.5-69.6165.3000111.2V22 A24 Q33 R34 L39 G40 I44 F54 I60V22-I37 HydrophobicContact CG1-CG1 3.85Å; A24-I37 HydrophobicContact CB-CD1 4.32Å; Q33-I37 WeakPolarHBondContact O-CG1 3.35Å; Q33-I37 PolarHBondContact O-N 3.34Å; R34-I37 PolarHBondContact O-N 3.37Å; I37-L39 PolarHBondContact O-N 3.09Å; I37-G40 WeakPolarHBondContact O-CA 3.37Å; I37-G40 PolarHBondContact O-N 3.14Å; I37-I44 HydrophobicContact CD1-CD1 4.12Å; I37-I44 HydrophobicContact CG1-CD1 4.16Å; I37-F54 HydrophobicContact CD1-CD1 3.86Å; I37-F54 HydrophobicContact CD1-CD2 3.45Å; I37-F54 VanDerWaalsContact CD1-CD2 3.45Å; I37-F54 HydrophobicContact CD1-CE1 3.76Å; I37-F54 HydrophobicContact CD1-CE2 3.34Å; I37-F54 HydrophobicContact CD1-CG 3.73Å; I37-F54 HydrophobicContact CD1-CZ 3.52Å; I37-I60 HydrophobicContact CD1-CD1 4.29Å; I37-I60 HydrophobicContact CG2-CD1 4.44Å; I37-I60 HydrophobicContact CG2-CG1 3.69Å
38L94.7Very high93.1Very high100 Ų10074.8 Ų74.852%0.52439%0.385SS..Hα-helixtrans-66.4-16.8-179.2-72.5175.8000114.2R34 G40 K59R34-L38 HydrophobicContact CG-CD1 3.9Å; R34-L38 HydrophobicContact CG-CG 4.28Å; R34-L38 WeakPolarHBondContact O-CB 3.44Å; R34-L38 VanDerWaalsContact O-CG 3.24Å; R34-L38 WeakPolarHBondContact O-CG 3.2Å; R34-L38 PolarHBondContact O-N 2.85Å; L38-G40 PolarHBondContact O-N 3.06Å; L38-K59 HydrophobicContact CD2-CD 4.35Å
39L94.3Very high93.5Very high130 Ų13076.4 Ų76.468%0.68139%0.388SS*.THydrogen-bonded Turntrans-74.9-6.1170.1-66.3171.2000112.8K35 Q36 I37K35-L39 WeakPolarHBondContact O-CG 3.27Å; K35-L39 PolarHBondContact O-N 3.28Å; Q36-L39 PolarHBondContact O-N 3.09Å; I37-L39 PolarHBondContact O-N 3.09Å
40G92.3Very high93.7Very high43 Ų4370.7 Ų70.744%0.44336%0.362SS..  trans83.5135.2-179.800000113.1R20 I37 L38R20-G40 PolarHBondContact NH1-O 3.49Å; I37-G40 WeakPolarHBondContact O-CA 3.37Å; I37-G40 PolarHBondContact O-N 3.14Å; L38-G40 PolarHBondContact O-N 3.06Å
41C93.8Very high93.9Very high46 Ų4669.2 Ų69.231%0.31136%0.358SS..  trans-141.9149.6178.258.10000110.9R20 V22R20-C41 WeakPolarHBondContact O-CB 3.45Å; V22-C41 HydrophobicContact CB-CB 4.06Å; V22-C41 HydrophobicContact CG2-CB 3.61Å
42D94.5Very high94Very high94 Ų9461.5 Ų61.550%0.50332%0.324SS..SBendtrans-91.1-26.6175.4-57.4-97.2000112K19 R20K19-D42 VanDerWaalsContact CA-OD2 3.31Å; K19-D42 WeakPolarHBondContact CA-OD2 3.46Å; K19-D42 HydrophobicContact CB-CB 4.17Å; K19-D42 HydrophobicContact CD-CB 3.72Å; K19-D42 WeakPolarHBondContact CD-OD1 3.05Å; K19-D42 IonicContact NZ-OD1 3.82Å; K19-D42 PolarHBondContact NZ-OD1 2.9Å; R20-D42 PolarHBondContact N-OD2 3.03Å; R20-D42 PolarHBondContact O-N 3.43Å
43L95.8Very high94.2Very high72 Ų7258.2 Ų58.238%0.37731%0.311SS..EExtended strand (participates in β ladder)trans-129131.8178.1176.762.2000109.4A10 L14 R20 A21 V22 I45A10-L43 HydrophobicContact CB-CD2 3.73Å; L14-L43 HydrophobicContact CD1-CB 4.44Å; L14-L43 HydrophobicContact CD1-CD2 4.3Å; R20-L43 PolarHBondContact O-N 3.49Å; R20-L43 VanDerWaalsContact O-N 3.14Å; A21-L43 CarbonylContact C-O 3.56Å; A21-L43 VanDerWaalsContact CA-O 3.28Å; A21-L43 WeakPolarHBondContact CA-O 3.42Å; A21-L43 HydrophobicContact CB-CB 4.15Å; A21-L43 HydrophobicContact CB-CD2 4.11Å; A21-L43 HydrophobicContact CB-CG 4.31Å; V22-L43 PolarHBondContact N-O 3.26Å; L43-I45 HydrophobicContact CD1-CG1 4.39Å; L43-I45 HydrophobicContact CD2-CD1 4.14Å; L43-I45 HydrophobicContact CD2-CG1 4.36Å; L43-I45 HydrophobicContact CG-CD1 4.39Å; L43-I45 HydrophobicContact CG-CG1 4.09Å
44I95.3Very high94.4Very high46 Ų4657.8 Ų57.824%0.23631%0.31CS..EExtended strand (participates in β ladder)trans-124.6130.9172.8-158.7172.7000110.5V22 A24 I37 L51 I60V22-I44 WeakPolarHBondContact O-CA 3.28Å; V22-I44 WeakPolarHBondContact O-CG1 3.31Å; A24-I44 HydrophobicContact CB-CD1 4.1Å; A24-I44 HydrophobicContact CB-CG1 4.31Å; I37-I44 HydrophobicContact CD1-CD1 4.12Å; I37-I44 HydrophobicContact CG1-CD1 4.16Å; I44-L51 HydrophobicContact CD1-CD2 3.51Å; I44-L51 HydrophobicContact CG1-CD2 3.78Å; I44-L51 HydrophobicContact CG2-CD2 4.02Å; I44-I60 HydrophobicContact CD1-CD1 3.36Å; I44-I60 HydrophobicContact CD1-CG1 4.24Å
45I95Very high94.4Very high26 Ų2653.4 Ų53.413%0.13329%0.294CS..EExtended strand (participates in β ladder)trans-122.1121.6-177.4-52.6174.5000107.1A3 L6 H7 A10 V22 S23 A24 L43A3-I45 HydrophobicContact CB-CG2 3.9Å; L6-I45 HydrophobicContact CB-CD1 4.1Å; L6-I45 HydrophobicContact CB-CG2 3.99Å; L6-I45 HydrophobicContact CD1-CG2 4.26Å; L6-I45 WeakPolarHBondContact O-CD1 3.41Å; H7-I45 HydrophobicContact CB-CD1 4.37Å; A10-I45 HydrophobicContact CB-CD1 3.81Å; V22-I45 PolarHBondContact O-N 2.93Å; S23-I45 CarbonylContact C-O 3.5Å; S23-I45 WeakPolarHBondContact CA-O 3.24Å; A24-I45 PolarHBondContact N-O 3.31Å; L43-I45 HydrophobicContact CD1-CG1 4.39Å; L43-I45 HydrophobicContact CD2-CD1 4.14Å; L43-I45 HydrophobicContact CD2-CG1 4.36Å; L43-I45 HydrophobicContact CG-CD1 4.39Å; L43-I45 HydrophobicContact CG-CG1 4.09Å
46G93.5Very high94.4Very high25 Ų2553.6 Ų53.626%0.25829%0.291SS..EExtended strand (participates in β ladder)trans-169.7169-171.200000114.4A24A24-G46 CarbonylContact O-C 3.57Å; A24-G46 WeakPolarHBondContact O-CA 3.35Å
47T91.9Very high94.5Very high54 Ų5454.1 Ų54.133%0.33129%0.293SS..  trans-77.3138.5173.654.80000109.2A24 C26 Q49 R50 L51A24-T47 PolarHBondContact O-N 3.34Å; C26-T47 PolarHBondContact N-OG1 3.23Å; C26-T47 PolarHBondContact SG-OG1 3.49Å; T47-Q49 VanDerWaalsContact C-N 3.28Å; T47-Q49 PolarHBondContact O-N 3.31Å; T47-R50 PolarHBondContact O-N 3.46Å; T47-R50 WeakPolarHBondContact OG1-CB 3.2Å; T47-L51 PolarHBondContact O-N 3.44Å
48A92.1Very high94.4Very high18 Ų1856.8 Ų56.815%0.14932%0.323CS..Hα-helixtrans-50.2-47.5-174.700000112.5R50 L51 L52 I76 A80A48-R50 VanDerWaalsContact C-N 3.34Å; A48-R50 PolarHBondContact O-N 2.99Å; A48-L51 PolarHBondContact O-N 2.98Å; A48-L52 VanDerWaalsContact O-CB 3.24Å; A48-L52 WeakPolarHBondContact O-CB 3.44Å; A48-L52 PolarHBondContact O-N 3.37Å; A48-I76 HydrophobicContact CB-CG2 3.82Å; A48-A80 HydrophobicContact CB-CB 4.19Å
49Q93.1Very high94.4Very high102 Ų10255.2 Ų55.248%0.47731%0.312SS..Hα-helixtrans-57.4-40.7177.3-70.3-180-13.600113.5T47 A53 D77 A80T47-Q49 VanDerWaalsContact C-N 3.28Å; T47-Q49 PolarHBondContact O-N 3.31Å; Q49-A53 PolarHBondContact O-N 2.81Å; Q49-A53 VanDerWaalsContact O-N 3.14Å; Q49-D77 HydrophobicContact CG-CB 4.34Å; Q49-D77 PolarHBondContact NE2-OD2 2.83Å; Q49-A80 HydrophobicContact CB-CB 4.46Å; Q49-A80 HydrophobicContact CG-CB 3.64Å
50R93.5Very high94.4Very high54 Ų5450.3 Ų50.320%0.20429%0.286CS..Hα-helixtrans-74.1-42.2-179-178.26264-165.9-3.9111.2A24 C25 T47 A48 A53 F54A24-R50 HydrophobicContact CB-CG 4.12Å; A24-R50 WeakPolarHBondContact O-CB 3.4Å; A24-R50 WeakPolarHBondContact O-CG 3.39Å; C25-R50 PolarHBondContact O-NE 3.12Å; T47-R50 PolarHBondContact O-N 3.46Å; T47-R50 WeakPolarHBondContact OG1-CB 3.2Å; A48-R50 VanDerWaalsContact C-N 3.34Å; A48-R50 PolarHBondContact O-N 2.99Å; R50-A53 PolarHBondContact O-N 3.25Å; R50-F54 HydrophobicContact CG-CD2 4.11Å; R50-F54 HydrophobicContact CG-CE2 3.76Å; R50-F54 WeakPolarHBondContact O-CD2 3.14Å; R50-F54 PolarHBondContact O-N 3.31Å
51L95.2Very high94.4Very high17 Ų1751.4 Ų51.49%0.08929%0.291CS..Hα-helixtrans-61.3-46.1175.4-67.8175.8000110.9A24 I44 T47 A48 A53 F54 V55 I60 F84A24-L51 HydrophobicContact CB-CD2 3.72Å; I44-L51 HydrophobicContact CD1-CD2 3.51Å; I44-L51 HydrophobicContact CG1-CD2 3.78Å; I44-L51 HydrophobicContact CG2-CD2 4.02Å; T47-L51 PolarHBondContact O-N 3.44Å; A48-L51 PolarHBondContact O-N 2.98Å; L51-A53 VanDerWaalsContact C-N 3.32Å; L51-A53 PolarHBondContact O-N 3.16Å; L51-F54 PolarHBondContact O-N 3.05Å; L51-F54 VanDerWaalsContact O-N 3.12Å; L51-V55 WeakPolarHBondContact O-CG2 3.27Å; L51-V55 PolarHBondContact O-N 3.49Å; L51-I60 HydrophobicContact CD2-CD1 4.28Å; L51-F84 HydrophobicContact CB-CD2 4.05Å; L51-F84 HydrophobicContact CB-CE2 3.71Å; L51-F84 HydrophobicContact CB-CZ 4.45Å
52L95.7Very high94.3Very high8 Ų849.5 Ų49.54%0.04228%0.278CS..Hα-helixtrans-57.8-42.3176.8179.761.7000112.3A48 F54 V55 R56 A80 F84 Y87A48-L52 VanDerWaalsContact O-CB 3.24Å; A48-L52 WeakPolarHBondContact O-CB 3.44Å; A48-L52 PolarHBondContact O-N 3.37Å; L52-F54 VanDerWaalsContact C-N 3.34Å; L52-F54 PolarHBondContact O-N 3.31Å; L52-V55 PolarHBondContact O-N 3.06Å; L52-R56 HydrophobicContact CD1-CG 4.14Å; L52-R56 HydrophobicContact CG-CG 4.42Å; L52-R56 WeakPolarHBondContact O-CB 3.24Å; L52-R56 WeakPolarHBondContact O-CG 3.12Å; L52-R56 PolarHBondContact O-N 2.92Å; L52-A80 HydrophobicContact CD2-CB 4.28Å; L52-F84 HydrophobicContact CB-CB 4.49Å; L52-F84 HydrophobicContact CD1-CB 4.31Å; L52-Y87 HydrophobicContact CD1-CD2 4.31Å; L52-Y87 HydrophobicContact CD1-CE2 4.08Å
53A95.7Very high94Very high32 Ų3251.1 Ų51.126%0.26428%0.282SS..Hα-helixtrans-59.1-45175.600000111.9Q49 R50 L51 V55 R56 E57Q49-A53 PolarHBondContact O-N 2.81Å; Q49-A53 VanDerWaalsContact O-N 3.14Å; R50-A53 PolarHBondContact O-N 3.25Å; L51-A53 VanDerWaalsContact C-N 3.32Å; L51-A53 PolarHBondContact O-N 3.16Å; A53-V55 PolarHBondContact O-N 3.28Å; A53-R56 PolarHBondContact O-N 2.98Å; A53-E57 WeakPolarHBondContact O-CB 3.11Å; A53-E57 WeakPolarHBondContact O-CG 3.45Å; A53-E57 PolarHBondContact O-N 2.81Å
54F96.8Very high93.7Very high0 Ų055.8 Ų55.80%030%0.3CS..Hα-helixtrans-66.3-35.6176.9-77.4-60.4000113.2A24 Y30 Q33 R34 I37 R50 L51 L52 G58 K59 I60A24-F54 HydrophobicContact CB-CD2 4.28Å; A24-F54 HydrophobicContact CB-CE2 4.1Å; Y30-F54 AromaticContact CD2-CE1 3.79Å; Y30-F54 HydrophobicContact CD2-CE1 3.79Å; Y30-F54 HydrophobicContact CD2-CE2 4.13Å; Y30-F54 AromaticContact CD2-CZ 3.48Å; Y30-F54 HydrophobicContact CD2-CZ 3.48Å; Y30-F54 VanDerWaalsContact CD2-CZ 3.48Å; Y30-F54 HydrophobicContact CE1-CE1 4.04Å; Y30-F54 AromaticContact CE2-CD1 3.59Å; Y30-F54 HydrophobicContact CE2-CD1 3.59Å; Y30-F54 HydrophobicContact CE2-CD2 4.18Å; Y30-F54 AromaticContact CE2-CE1 3.1Å; Y30-F54 HydrophobicContact CE2-CE1 3.1Å; Y30-F54 AromaticContact CE2-CE2 3.77Å; Y30-F54 HydrophobicContact CE2-CE2 3.77Å; Y30-F54 HydrophobicContact CE2-CG 4.09Å; Y30-F54 AromaticContact CE2-CZ 3.2Å; Y30-F54 HydrophobicContact CE2-CZ 3.2Å; Y30-F54 HydrophobicContact CG-CZ 4.36Å; Y30-F54 AromaticContact CZ-CD1 3.58Å; Y30-F54 AromaticContact CZ-CE1 3.24Å; Y30-F54 AromaticContact CZ-CZ 3.85Å; Y30-F54 WeakPolarHBondContact OH-CD1 3.27Å; Y30-F54 VanDerWaalsContact OH-CE1 3.3Å; Y30-F54 WeakPolarHBondContact OH-CE1 3.17Å; Q33-F54 HydrophobicContact CB-CE2 4.15Å; Q33-F54 HydrophobicContact CB-CZ 3.76Å; R34-F54 HydrophobicContact CB-CE1 3.82Å; R34-F54 HydrophobicContact CB-CZ 4.41Å; R34-F54 HydrophobicContact CG-CE1 4.31Å; I37-F54 HydrophobicContact CD1-CD1 3.86Å; I37-F54 HydrophobicContact CD1-CD2 3.45Å; I37-F54 VanDerWaalsContact CD1-CD2 3.45Å; I37-F54 HydrophobicContact CD1-CE1 3.76Å; I37-F54 HydrophobicContact CD1-CE2 3.34Å; I37-F54 HydrophobicContact CD1-CG 3.73Å; I37-F54 HydrophobicContact CD1-CZ 3.52Å; R50-F54 HydrophobicContact CG-CD2 4.11Å; R50-F54 HydrophobicContact CG-CE2 3.76Å; R50-F54 WeakPolarHBondContact O-CD2 3.14Å; R50-F54 PolarHBondContact O-N 3.31Å; L51-F54 PolarHBondContact O-N 3.05Å; L51-F54 VanDerWaalsContact O-N 3.12Å; L52-F54 VanDerWaalsContact C-N 3.34Å; L52-F54 PolarHBondContact O-N 3.31Å; F54-G58 PolarHBondContact O-N 3.18Å; F54-K59 HydrophobicContact CB-CB 4.31Å; F54-K59 HydrophobicContact CD1-CB 3.9Å; F54-K59 HydrophobicContact CD1-CG 4.11Å; F54-K59 WeakPolarHBondContact O-CA 3.35Å; F54-K59 WeakPolarHBondContact O-CB 3.48Å; F54-K59 PolarHBondContact O-N 2.86Å; F54-I60 HydrophobicContact CB-CD1 3.37Å; F54-I60 HydrophobicContact CB-CG1 3.8Å; F54-I60 HydrophobicContact CD2-CD1 4.33Å; F54-I60 HydrophobicContact CG-CD1 4.09Å; F54-I60 PolarHBondContact O-N 3.14Å
55V95.7Very high93.6Very high11 Ų1155.8 Ų55.87%0.06730%0.302CS..Hα-helixtrans-66.6-48.2174.6172.70000110.8L51 L52 A53 E57 G58 I60 V62 F84 Y87L51-V55 WeakPolarHBondContact O-CG2 3.27Å; L51-V55 PolarHBondContact O-N 3.49Å; L52-V55 PolarHBondContact O-N 3.06Å; A53-V55 PolarHBondContact O-N 3.28Å; V55-E57 VanDerWaalsContact C-N 3.26Å; V55-E57 PolarHBondContact O-N 3.32Å; V55-G58 WeakPolarHBondContact O-CA 3.32Å; V55-G58 PolarHBondContact O-N 2.91Å; V55-I60 HydrophobicContact CG2-CB 4.05Å; V55-I60 HydrophobicContact CG2-CG2 4.24Å; V55-V62 HydrophobicContact CG1-CG2 4.21Å; V55-V62 HydrophobicContact CG2-CG1 3.76Å; V55-V62 HydrophobicContact CG2-CG2 4.44Å; V55-F84 HydrophobicContact CG2-CD2 4.17Å; V55-F84 HydrophobicContact CG2-CE2 3.77Å; V55-Y87 HydrophobicContact CG1-CD1 3.64Å; V55-Y87 HydrophobicContact CG1-CD2 3.89Å; V55-Y87 HydrophobicContact CG1-CE1 4.18Å; V55-Y87 HydrophobicContact CG1-CE2 4.45Å; V55-Y87 HydrophobicContact CG1-CG 3.49Å; V55-Y87 VanDerWaalsContact CG1-CG 3.49Å
56R95.4Very high93.4Very high154 Ų15462.3 Ų62.358%0.58133%0.329SS*.Hα-helixtrans-60.4-34.5178-75.1178.8173.8171.8-0.4112.7L52 A53 G58 S83L52-R56 HydrophobicContact CD1-CG 4.14Å; L52-R56 HydrophobicContact CG-CG 4.42Å; L52-R56 WeakPolarHBondContact O-CB 3.24Å; L52-R56 WeakPolarHBondContact O-CG 3.12Å; L52-R56 PolarHBondContact O-N 2.92Å; A53-R56 PolarHBondContact O-N 2.98Å; R56-G58 PolarHBondContact O-N 3.19Å; R56-S83 PolarHBondContact NH2-OG 3.01Å
57E94.9Very high93.5Very high96 Ų9666 Ų6645%0.44934%0.342SS..THydrogen-bonded Turntrans-81.83.9174.7-72.4-175.2-159.500114.3Y30 A53 V55 K59Y30-E57 PolarHBondContact OH-OE1 3.14Å; Y30-E57 PolarHBondContact OH-OE2 2.87Å; A53-E57 WeakPolarHBondContact O-CB 3.11Å; A53-E57 WeakPolarHBondContact O-CG 3.45Å; A53-E57 PolarHBondContact O-N 2.81Å; V55-E57 VanDerWaalsContact C-N 3.26Å; V55-E57 PolarHBondContact O-N 3.32Å; E57-K59 HydrophobicContact CB-CG 3.93Å; E57-K59 WeakPolarHBondContact O-CE 3.23Å; E57-K59 PolarHBondContact O-N 3.32Å
58G93.4Very high93.5Very high64 Ų6464 Ų6466%0.6633%0.33SS*.THydrogen-bonded Turntrans64.125.2-179.100000113.8F54 V55 R56F54-G58 PolarHBondContact O-N 3.18Å; V55-G58 WeakPolarHBondContact O-CA 3.32Å; V55-G58 PolarHBondContact O-N 2.91Å; R56-G58 PolarHBondContact O-N 3.19Å
59K94Very high93.6Very high68 Ų6867.2 Ų67.230%0.29635%0.347SS..SBendtrans-87-23.8177.2-52.5-52.8174-153.10112.5L38 F54 E57L38-K59 HydrophobicContact CD2-CD 4.35Å; F54-K59 HydrophobicContact CB-CB 4.31Å; F54-K59 HydrophobicContact CD1-CB 3.9Å; F54-K59 HydrophobicContact CD1-CG 4.11Å; F54-K59 WeakPolarHBondContact O-CA 3.35Å; F54-K59 WeakPolarHBondContact O-CB 3.48Å; F54-K59 PolarHBondContact O-N 2.86Å; E57-K59 HydrophobicContact CB-CG 3.93Å; E57-K59 WeakPolarHBondContact O-CE 3.23Å; E57-K59 PolarHBondContact O-N 3.32Å
60I94.3Very high93.6Very high26 Ų2662.7 Ų62.713%0.13333%0.326CS..SBendtrans-123.1127.3173.7-60.7168.1000107.4I37 I44 L51 F54 V55 V62I37-I60 HydrophobicContact CD1-CD1 4.29Å; I37-I60 HydrophobicContact CG2-CD1 4.44Å; I37-I60 HydrophobicContact CG2-CG1 3.69Å; I44-I60 HydrophobicContact CD1-CD1 3.36Å; I44-I60 HydrophobicContact CD1-CG1 4.24Å; L51-I60 HydrophobicContact CD2-CD1 4.28Å; F54-I60 HydrophobicContact CB-CD1 3.37Å; F54-I60 HydrophobicContact CB-CG1 3.8Å; F54-I60 HydrophobicContact CD2-CD1 4.33Å; F54-I60 HydrophobicContact CG-CD1 4.09Å; F54-I60 PolarHBondContact O-N 3.14Å; V55-I60 HydrophobicContact CG2-CB 4.05Å; V55-I60 HydrophobicContact CG2-CG2 4.24Å; I60-V62 HydrophobicContact CG2-CG1 3.78Å
61A92.1Very high93.5Very high67 Ų6763.1 Ų63.155%0.55433%0.333SS*.  trans-94.9119166.700000108.6
62V92.1Very high93Very high5 Ų565.5 Ų65.53%0.0334%0.341CS..  trans-101.31.2179.4-66.50000113.4V55 I60 F64 V65 F84 Y87 P89V55-V62 HydrophobicContact CG1-CG2 4.21Å; V55-V62 HydrophobicContact CG2-CG1 3.76Å; V55-V62 HydrophobicContact CG2-CG2 4.44Å; I60-V62 HydrophobicContact CG2-CG1 3.78Å; V62-F64 PolarHBondContact O-N 3.43Å; V62-F64 VanDerWaalsContact O-N 3.11Å; V62-V65 HydrophobicContact CB-CG2 3.93Å; V62-V65 HydrophobicContact CG1-CG2 4.17Å; V62-V65 WeakPolarHBondContact O-CB 3.18Å; V62-V65 WeakPolarHBondContact O-CG2 3.01Å; V62-V65 PolarHBondContact O-N 2.84Å; V62-V65 VanDerWaalsContact O-N 3.09Å; V62-F84 HydrophobicContact CG1-CE2 4.22Å; V62-F84 HydrophobicContact CG1-CZ 4.11Å; V62-Y87 VanDerWaalsContact CG2-CB 3.49Å; V62-Y87 WeakPolarHBondContact CG2-O 3.38Å; V62-P89 WeakPolarHBondContact O-CD 3.43Å
63Q89.5Confident92.5Very high128 Ų12865.3 Ų65.360%0.59834%0.339SS*.THydrogen-bonded Turntrans-63.2-18.3-177.5-64130.715.200114P89Q63-P89 WeakPolarHBondContact O-CG 3.42Å
64F89.2Confident91.7Very high171 Ų17166.2 Ų66.275%0.7534%0.338SS*.THydrogen-bonded Turntrans-113.212.1179.6-55.9-71.3000112.6V62 K66V62-F64 PolarHBondContact O-N 3.43Å; V62-F64 VanDerWaalsContact O-N 3.11Å; F64-K66 PolarHBondContact O-N 3.44Å
65V91.9Very high91.1Very high45 Ų4570.9 Ų70.927%0.27336%0.363SS..  trans-69.8119.5177.4171.30000108.8V62 I67 V68V62-V65 HydrophobicContact CB-CG2 3.93Å; V62-V65 HydrophobicContact CG1-CG2 4.17Å; V62-V65 WeakPolarHBondContact O-CB 3.18Å; V62-V65 WeakPolarHBondContact O-CG2 3.01Å; V62-V65 PolarHBondContact O-N 2.84Å; V62-V65 VanDerWaalsContact O-N 3.09Å; V65-I67 VanDerWaalsContact CG1-O 3.27Å; V65-I67 WeakPolarHBondContact CG1-O 3.35Å; V65-V68 HydrophobicContact CG1-CG2 3.73Å
66K92.3Very high90.7Very high163 Ų16372.5 Ų72.571%0.70937%0.371SS*.  trans-95.6-22.1179.3-63.5-172.9176.4-173.50113.6F64 R93 Q94F64-K66 PolarHBondContact O-N 3.44Å; K66-R93 CarbonylContact O-C 3.56Å; K66-R93 WeakPolarHBondContact O-CA 3.44Å; K66-Q94 PolarHBondContact O-N 2.89Å
67I94Very high90.4Very high103 Ų10368.5 Ų68.553%0.52836%0.361SS..EExtended strand (participates in β ladder)trans-134.8126.4-176.6-53.8177.4000108.3V65 V69 Q94V65-I67 VanDerWaalsContact CG1-O 3.27Å; V65-I67 WeakPolarHBondContact CG1-O 3.35Å; I67-V69 HydrophobicContact CG2-CG2 4.13Å; I67-Q94 VanDerWaalsContact CA-O 3.32Å; I67-Q94 WeakPolarHBondContact CA-O 3.21Å; I67-Q94 HydrophobicContact CG1-CB 4.45Å
68V93.8Very high90Very high13 Ų1368.7 Ų68.78%0.07936%0.362CS..EExtended strand (participates in β ladder)trans-117127.1169.9178.20000108.3V65 I70 M85 Q94 M95 C96V65-V68 HydrophobicContact CG1-CG2 3.73Å; V68-I70 HydrophobicContact CG1-CG1 4.16Å; V68-M85 HydrophobicContact CG1-CE 4.24Å; V68-M85 HydrophobicContact CG1-SD 4.01Å; V68-Q94 PolarHBondContact N-O 3.16Å; V68-M95 HydrophobicContact CB-SD 4.46Å; V68-M95 HydrophobicContact CG1-SD 4.41Å; V68-M95 VanDerWaalsContact O-CA 3.28Å; V68-M95 WeakPolarHBondContact O-CA 3.47Å; V68-C96 PolarHBondContact O-N 3.22Å
69V93.8Very high89.9Confident85 Ų8572.8 Ų72.852%0.51536%0.364SS..EExtended strand (participates in β ladder)trans-113.2124.3173.6-177.10000108I67 C96 F98I67-V69 HydrophobicContact CG2-CG2 4.13Å; V69-C96 WeakPolarHBondContact CA-O 3.42Å; V69-C96 HydrophobicContact CG2-CB 4.33Å; V69-F98 HydrophobicContact CG1-CD2 3.66Å; V69-F98 HydrophobicContact CG1-CE2 3.67Å
70I92.9Very high89.9Confident7 Ų769.9 Ų69.94%0.03635%0.352CS..EExtended strand (participates in β ladder)trans-107.8112.7174.6-51.9-179.7000106.7V68 V73 I76 L81 M95 C96 L97 F98 Y113V68-I70 HydrophobicContact CG1-CG1 4.16Å; I70-V73 HydrophobicContact CB-CG2 4.42Å; I70-V73 HydrophobicContact CG2-CG2 3.72Å; I70-I76 HydrophobicContact CG2-CD1 3.25Å; I70-L81 HydrophobicContact CD1-CD1 4.08Å; I70-L81 HydrophobicContact CD1-CD2 4.26Å; I70-L81 HydrophobicContact CG2-CD2 4.44Å; I70-M95 HydrophobicContact CD1-SD 3.97Å; I70-C96 PolarHBondContact N-O 3.43Å; I70-L97 CarbonylContact O-C 3.41Å; I70-L97 WeakPolarHBondContact O-CA 3.26Å; I70-F98 PolarHBondContact O-N 3.4Å; I70-Y113 HydrophobicContact CD1-CD2 4.41Å
71D90.7Very high89.8Confident62 Ų6269 Ų6933%0.33235%0.348SS..EExtended strand (participates in β ladder)trans-109.8135.4-179.3-173.632.9000110.3F98D71-F98 CarbonylContact C-O 3.05Å; D71-F98 WeakPolarHBondContact OD1-CB 3.43Å
72R84.6Confident89.8Confident68 Ų6871.4 Ų71.426%0.25735%0.346SS..  trans49.762.2-175-53.5-174.6-52.5144.924.2112.3E74 D75 F98 E235R72-E74 WeakPolarHBondContact CA-OE2 3.4Å; R72-E74 PolarHBondContact O-N 3.14Å; R72-E74 VanDerWaalsContact O-N 3.12Å; R72-D75 HydrophobicContact CB-CB 4.44Å; R72-D75 IonicContact CZ-OD2 3.54Å; R72-D75 IonicContact NE-OD2 2.82Å; R72-D75 IonicContact NH1-OD2 3.1Å; R72-D75 PolarHBondContact NH1-OD2 2.79Å; R72-D75 VanDerWaalsContact NH1-OD2 3.16Å; R72-D75 IonicContact NH2-OD2 3.91Å; R72-D75 PolarHBondContact NH2-OD2 2.9Å; R72-D75 WeakPolarHBondContact O-CB 3.26Å; R72-D75 PolarHBondContact O-N 3.38Å; R72-F98 PolarHBondContact N-O 3.39Å; R72-E235 IonicContact CZ-OE1 2.9Å; R72-E235 IonicContact NH1-OE1 3.04Å; R72-E235 PolarHBondContact NH1-OE1 3.28Å; R72-E235 IonicContact NH1-OE2 2.99Å; R72-E235 PolarHBondContact NH1-OE2 2.92Å; R72-E235 VanDerWaalsContact NH1-OE2 3.1Å
73V85.2Confident89.8Confident3 Ų372 Ų722%0.01835%0.35CS..G310 helixtrans-49.2-38.7-177.4-177.30000113.2I70 D75 I76 L97 C109I70-V73 HydrophobicContact CB-CG2 4.42Å; I70-V73 HydrophobicContact CG2-CG2 3.72Å; V73-D75 PolarHBondContact O-N 2.94Å; V73-I76 PolarHBondContact O-N 3.28Å; V73-L97 HydrophobicContact CG2-CD1 3.63Å; V73-L97 HydrophobicContact CG2-CD2 3.49Å; V73-L97 VanDerWaalsContact CG2-CD2 3.49Å; V73-L97 HydrophobicContact CG2-CG 3.32Å; V73-C109 HydrophobicContact CG1-CB 3.69Å; V73-C109 WeakPolarHBondContact CG1-SG 3.39Å
74E80.2Confident90Very high51 Ų5167 Ų6724%0.23833%0.327CS..G310 helixtrans-58.4-24.817960.4-91.5-136.100113.6R72 T99 S100 T103R72-E74 WeakPolarHBondContact CA-OE2 3.4Å; R72-E74 PolarHBondContact O-N 3.14Å; R72-E74 VanDerWaalsContact O-N 3.12Å; E74-T99 PolarHBondContact OE1-OG1 2.92Å; E74-T99 WeakPolarHBondContact OE2-CB 3.23Å; E74-T99 PolarHBondContact OE2-OG1 3.06Å; E74-S100 WeakPolarHBondContact OE1-CB 3.27Å; E74-S100 PolarHBondContact OE1-N 2.82Å; E74-S100 PolarHBondContact OE1-OG 3.11Å; E74-T103 HydrophobicContact CB-CG2 4.48Å
75D83.3Confident90.1Very high99 Ų9959 Ų5953%0.52929%0.292SS..G310 helixtrans-95.4-4.9179.9-68.5-22.8000113.3R72 V73R72-D75 HydrophobicContact CB-CB 4.44Å; R72-D75 IonicContact CZ-OD2 3.54Å; R72-D75 IonicContact NE-OD2 2.82Å; R72-D75 IonicContact NH1-OD2 3.1Å; R72-D75 PolarHBondContact NH1-OD2 2.79Å; R72-D75 VanDerWaalsContact NH1-OD2 3.16Å; R72-D75 IonicContact NH2-OD2 3.91Å; R72-D75 PolarHBondContact NH2-OD2 2.9Å; R72-D75 WeakPolarHBondContact O-CB 3.26Å; R72-D75 PolarHBondContact O-N 3.38Å; V73-D75 PolarHBondContact O-N 2.94Å
76I87.1Confident90.1Very high45 Ų4563 Ų6323%0.23131%0.308CS..SBendtrans-90.3130-173-57.4177.8000110.2A48 I70 V73 E78 L81A48-I76 HydrophobicContact CB-CG2 3.82Å; I70-I76 HydrophobicContact CG2-CD1 3.25Å; V73-I76 PolarHBondContact O-N 3.28Å; I76-E78 PolarHBondContact O-N 2.83Å; I76-L81 HydrophobicContact CG2-CB 3.8Å; I76-L81 HydrophobicContact CG2-CD2 4.18Å; I76-L81 HydrophobicContact CG2-CG 4.4Å
77D88.9Confident90Very high69 Ų6960.5 Ų60.537%0.36929%0.294SS..  trans-56.5109.2168.1-177.2-65.3000110.6Q49 E79 A80 L81Q49-D77 HydrophobicContact CG-CB 4.34Å; Q49-D77 PolarHBondContact NE2-OD2 2.83Å; D77-E79 VanDerWaalsContact C-N 3.31Å; D77-E79 PolarHBondContact O-N 2.93Å; D77-E79 PolarHBondContact OD1-N 3.48Å; D77-A80 HydrophobicContact CB-CB 3.97Å; D77-A80 PolarHBondContact O-N 2.96Å; D77-A80 VanDerWaalsContact OD1-CB 3.25Å; D77-A80 WeakPolarHBondContact OD1-CB 3.42Å; D77-A80 PolarHBondContact OD1-N 3.04Å; D77-L81 WeakPolarHBondContact O-CB 3.18Å; D77-L81 PolarHBondContact O-N 3.25Å
78E87.9Confident89.8Confident101 Ų10155.9 Ų55.947%0.47227%0.271SS..Hα-helixtrans-60-40.2-172.8-169.2-167.6163.700111.9I76 L81 K82I76-E78 PolarHBondContact O-N 2.83Å; E78-L81 PolarHBondContact O-N 3.08Å; E78-K82 VanDerWaalsContact O-CB 3.25Å; E78-K82 WeakPolarHBondContact O-CB 3.25Å; E78-K82 PolarHBondContact O-N 3.21Å
79E91.2Very high89.4Confident150 Ų15057.1 Ų57.170%0.70128%0.28SS*.Hα-helixtrans-68.4-41.7-178.9-170.3-178.3173.500111.3D77 S83D77-E79 VanDerWaalsContact C-N 3.31Å; D77-E79 PolarHBondContact O-N 2.93Å; D77-E79 PolarHBondContact OD1-N 3.48Å; E79-S83 VanDerWaalsContact O-CB 3.27Å; E79-S83 WeakPolarHBondContact O-CB 3.45Å; E79-S83 PolarHBondContact O-N 2.88Å; E79-S83 PolarHBondContact O-OG 2.91Å
80A92.7Very high88.8Confident6 Ų659.8 Ų59.85%0.0528%0.284CS..Hα-helixtrans-66.5-41.4175.200000111.5A48 Q49 L52 D77 F84A48-A80 HydrophobicContact CB-CB 4.19Å; Q49-A80 HydrophobicContact CB-CB 4.46Å; Q49-A80 HydrophobicContact CG-CB 3.64Å; L52-A80 HydrophobicContact CD2-CB 4.28Å; D77-A80 HydrophobicContact CB-CB 3.97Å; D77-A80 PolarHBondContact O-N 2.96Å; D77-A80 VanDerWaalsContact OD1-CB 3.25Å; D77-A80 WeakPolarHBondContact OD1-CB 3.42Å; D77-A80 PolarHBondContact OD1-N 3.04Å; A80-F84 VanDerWaalsContact O-CB 3.26Å; A80-F84 WeakPolarHBondContact O-CB 3.39Å; A80-F84 PolarHBondContact O-N 3.19Å
81L93Very high88.1Confident9 Ų966.5 Ų66.55%0.04732%0.32CS..Hα-helixtrans-62.7-50.1175.717960.1000110.8I70 I76 D77 E78 S83 F84 M85 Y113I70-L81 HydrophobicContact CD1-CD1 4.08Å; I70-L81 HydrophobicContact CD1-CD2 4.26Å; I70-L81 HydrophobicContact CG2-CD2 4.44Å; I76-L81 HydrophobicContact CG2-CB 3.8Å; I76-L81 HydrophobicContact CG2-CD2 4.18Å; I76-L81 HydrophobicContact CG2-CG 4.4Å; D77-L81 WeakPolarHBondContact O-CB 3.18Å; D77-L81 PolarHBondContact O-N 3.25Å; E78-L81 PolarHBondContact O-N 3.08Å; L81-S83 PolarHBondContact O-N 3.3Å; L81-F84 PolarHBondContact O-N 3.11Å; L81-F84 VanDerWaalsContact O-N 3.14Å; L81-M85 HydrophobicContact CD1-CG 3.88Å; L81-M85 HydrophobicContact CG-CG 4.29Å; L81-M85 WeakPolarHBondContact O-CB 3.47Å; L81-M85 WeakPolarHBondContact O-CG 3.4Å; L81-M85 PolarHBondContact O-N 2.98Å; L81-Y113 HydrophobicContact CD2-CE2 3.79Å; L81-Y113 HydrophobicContact CG-CE2 4.03Å
82K91.9Very high87.5Confident116 Ų11672 Ų7250%0.50434%0.344SS..Hα-helixtrans-55.8-52.1177.3-178.3-178.7175.9-178.30111.4E78 F84 M85 E86 Y113E78-K82 VanDerWaalsContact O-CB 3.25Å; E78-K82 WeakPolarHBondContact O-CB 3.25Å; E78-K82 PolarHBondContact O-N 3.21Å; K82-F84 VanDerWaalsContact C-N 3.27Å; K82-F84 PolarHBondContact O-N 3.24Å; K82-M85 PolarHBondContact O-N 3.02Å; K82-E86 WeakPolarHBondContact O-CG 3.4Å; K82-E86 PolarHBondContact O-N 3.22Å; K82-E86 VanDerWaalsContact O-N 3.09Å; K82-Y113 WeakPolarHBondContact CA-OH 3.25Å; K82-Y113 WeakPolarHBondContact CB-OH 3.49Å; K82-Y113 PolarHBondContact N-OH 2.81Å
83S93.2Very high87.6Confident17 Ų1769.3 Ų69.312%0.11933%0.334CS..Hα-helixtrans-58-40177.6-67.30000112.1R56 E79 L81 Y87R56-S83 PolarHBondContact NH2-OG 3.01Å; E79-S83 VanDerWaalsContact O-CB 3.27Å; E79-S83 WeakPolarHBondContact O-CB 3.45Å; E79-S83 PolarHBondContact O-N 2.88Å; E79-S83 PolarHBondContact O-OG 2.91Å; L81-S83 PolarHBondContact O-N 3.3Å; S83-Y87 WeakPolarHBondContact O-CD2 3.28Å; S83-Y87 WeakPolarHBondContact O-CE2 3.38Å
84F92.6Very high87.9Confident24 Ų2475.1 Ų75.111%0.10536%0.36CS..Hα-helixtrans-67.5-44.4178.1179.1-94.5000111.5L51 L52 V55 V62 A80 L81 K82 E86 Y87L51-F84 HydrophobicContact CB-CD2 4.05Å; L51-F84 HydrophobicContact CB-CE2 3.71Å; L51-F84 HydrophobicContact CB-CZ 4.45Å; L52-F84 HydrophobicContact CB-CB 4.49Å; L52-F84 HydrophobicContact CD1-CB 4.31Å; V55-F84 HydrophobicContact CG2-CD2 4.17Å; V55-F84 HydrophobicContact CG2-CE2 3.77Å; V62-F84 HydrophobicContact CG1-CE2 4.22Å; V62-F84 HydrophobicContact CG1-CZ 4.11Å; A80-F84 VanDerWaalsContact O-CB 3.26Å; A80-F84 WeakPolarHBondContact O-CB 3.39Å; A80-F84 PolarHBondContact O-N 3.19Å; L81-F84 PolarHBondContact O-N 3.11Å; L81-F84 VanDerWaalsContact O-N 3.14Å; K82-F84 VanDerWaalsContact C-N 3.27Å; K82-F84 PolarHBondContact O-N 3.24Å; F84-E86 PolarHBondContact O-N 3.06Å; F84-Y87 PolarHBondContact O-N 3.03Å
85M91.4Very high88.4Confident3 Ų374 Ų742%0.01536%0.355CS..Hα-helixtrans-67-22.2-178.2-69.1-59.8-8500113.5V68 L81 K82 Y87 C88 R93 M95 Y113V68-M85 HydrophobicContact CG1-CE 4.24Å; V68-M85 HydrophobicContact CG1-SD 4.01Å; L81-M85 HydrophobicContact CD1-CG 3.88Å; L81-M85 HydrophobicContact CG-CG 4.29Å; L81-M85 WeakPolarHBondContact O-CB 3.47Å; L81-M85 WeakPolarHBondContact O-CG 3.4Å; L81-M85 PolarHBondContact O-N 2.98Å; K82-M85 PolarHBondContact O-N 3.02Å; M85-Y87 VanDerWaalsContact C-N 3.33Å; M85-C88 PolarHBondContact O-N 3.29Å; M85-R93 VanDerWaalsContact CE-CZ 3.48Å; M85-M95 HydrophobicContact CE-CE 4.26Å; M85-M95 HydrophobicContact CE-SD 3.44Å; M85-M95 WeakPolarHBondContact CE-SD 3.45Å; M85-Y113 HydrophobicContact CB-CD1 4.11Å; M85-Y113 HydrophobicContact CB-CE1 3.76Å; M85-Y113 HydrophobicContact CE-CD1 4.14Å; M85-Y113 HydrophobicContact CE-CG 4.17Å; M85-Y113 HydrophobicContact CG-CD1 4.17Å; M85-Y113 HydrophobicContact CG-CE1 3.96Å
86E91.1Very high88.9Confident130 Ų13071.1 Ų71.161%0.60734%0.343SS*.Hα-helixtrans-66.7-28.8170.9-74.5174-178.200113.3K82 F84K82-E86 WeakPolarHBondContact O-CG 3.4Å; K82-E86 PolarHBondContact O-N 3.22Å; K82-E86 VanDerWaalsContact O-N 3.09Å; F84-E86 PolarHBondContact O-N 3.06Å
87Y91.2Very high89Confident110 Ų11070.7 Ų70.743%0.43134%0.341SS..Hα-helixtrans-81.8-22.5175.3-69.4-91.2000112.8L52 V55 V62 S83 F84 M85L52-Y87 HydrophobicContact CD1-CD2 4.31Å; L52-Y87 HydrophobicContact CD1-CE2 4.08Å; V55-Y87 HydrophobicContact CG1-CD1 3.64Å; V55-Y87 HydrophobicContact CG1-CD2 3.89Å; V55-Y87 HydrophobicContact CG1-CE1 4.18Å; V55-Y87 HydrophobicContact CG1-CE2 4.45Å; V55-Y87 HydrophobicContact CG1-CG 3.49Å; V55-Y87 VanDerWaalsContact CG1-CG 3.49Å; V62-Y87 VanDerWaalsContact CG2-CB 3.49Å; V62-Y87 WeakPolarHBondContact CG2-O 3.38Å; S83-Y87 WeakPolarHBondContact O-CD2 3.28Å; S83-Y87 WeakPolarHBondContact O-CE2 3.38Å; F84-Y87 PolarHBondContact O-N 3.03Å; M85-Y87 VanDerWaalsContact C-N 3.33Å
88C90Very high89.1Confident5 Ų572.8 Ų72.83%0.03435%0.347CS..SBendtrans-82.8139.1-178.1-66.70000110.8M85 K90 R93M85-C88 PolarHBondContact O-N 3.29Å; C88-K90 PolarHBondContact O-N 2.85Å; C88-R93 VanDerWaalsContact C-NH1 3.27Å; C88-R93 PolarHBondContact O-NH1 3.36Å
89P85.6Confident88.8Confident40 Ų4070.2 Ų70.226%0.2634%0.338SS..  trans-57.3136.7174-20.629.8000111.4V62 Q63 R93V62-P89 WeakPolarHBondContact O-CD 3.43Å; Q63-P89 WeakPolarHBondContact O-CG 3.42Å; P89-R93 WeakPolarHBondContact O-CD 3.36Å; P89-R93 VanDerWaalsContact O-CG 3.24Å; P89-R93 WeakPolarHBondContact O-CG 2.86Å; P89-R93 VanDerWaalsContact O-CZ 3.26Å; P89-R93 PolarHBondContact O-NE 3.32Å; P89-R93 PolarHBondContact O-NH1 2.9Å
90K80.7Confident88Confident141 Ų14168.3 Ų68.361%0.61334%0.342SS*.SBendtrans-85-48-177.6-69.8-172.4178.8-175.10113C88C88-K90 PolarHBondContact O-N 2.85Å
91D78.6Confident87.1Confident148 Ų14869.5 Ų69.579%0.79136%0.355SS*.THydrogen-bonded Turntrans-86.1-21-162.9-53.3-41.6000114.3
92E76.5Confident86.3Confident178 Ų17872.9 Ų72.983%0.83237%0.371SS*.THydrogen-bonded Turntrans-106.46.4-174.3-64-174.7-171.900114
93R87.3Confident85.6Confident11 Ų1169.4 Ų69.44%0.04236%0.359CS..  trans-102.7137.1-177.668.4173.4177-129.55.8112.2K66 M85 C88 P89K66-R93 CarbonylContact O-C 3.56Å; K66-R93 WeakPolarHBondContact O-CA 3.44Å; M85-R93 VanDerWaalsContact CE-CZ 3.48Å; C88-R93 VanDerWaalsContact C-NH1 3.27Å; C88-R93 PolarHBondContact O-NH1 3.36Å; P89-R93 WeakPolarHBondContact O-CD 3.36Å; P89-R93 VanDerWaalsContact O-CG 3.24Å; P89-R93 WeakPolarHBondContact O-CG 2.86Å; P89-R93 VanDerWaalsContact O-CZ 3.26Å; P89-R93 PolarHBondContact O-NE 3.32Å; P89-R93 PolarHBondContact O-NH1 2.9Å
94Q91.1Very high85Confident124 Ų12472.5 Ų72.558%0.57938%0.378SS*.EExtended strand (participates in β ladder)trans-79.7142.7160.3-175.8175.7-1.300109K66 I67 V68K66-Q94 PolarHBondContact O-N 2.89Å; I67-Q94 VanDerWaalsContact CA-O 3.32Å; I67-Q94 WeakPolarHBondContact CA-O 3.21Å; I67-Q94 HydrophobicContact CG1-CB 4.45Å; V68-Q94 PolarHBondContact N-O 3.16Å
95M91.1Very high84.4Confident27 Ų2775.8 Ų75.813%0.13339%0.394CS..EExtended strand (participates in β ladder)trans-131.2139.7176-172.5152.153.200111.9V68 I70 M85 Y113 L114V68-M95 HydrophobicContact CB-SD 4.46Å; V68-M95 HydrophobicContact CG1-SD 4.41Å; V68-M95 VanDerWaalsContact O-CA 3.28Å; V68-M95 WeakPolarHBondContact O-CA 3.47Å; I70-M95 HydrophobicContact CD1-SD 3.97Å; M85-M95 HydrophobicContact CE-CE 4.26Å; M85-M95 HydrophobicContact CE-SD 3.44Å; M85-M95 WeakPolarHBondContact CE-SD 3.45Å; M95-Y113 WeakPolarHBondContact CE-O 3.28Å; M95-L114 HydrophobicContact CB-CD2 3.84Å; M95-L114 HydrophobicContact CE-CD2 3.69Å; M95-L114 HydrophobicContact CE-CG 4.22Å; M95-L114 HydrophobicContact CG-CD2 3.73Å; M95-L114 HydrophobicContact SD-CD2 4.45Å
96C93.1Very high84Confident39 Ų3975.7 Ų75.726%0.26439%0.393SS..EExtended strand (participates in β ladder)trans-125.4137.5174.1-58.10000108.8V68 V69 I70 F98V68-C96 PolarHBondContact O-N 3.22Å; V69-C96 WeakPolarHBondContact CA-O 3.42Å; V69-C96 HydrophobicContact CG2-CB 4.33Å; I70-C96 PolarHBondContact N-O 3.43Å; C96-F98 HydrophobicContact CB-CD2 4.44Å; C96-F98 HydrophobicContact CB-CE2 3.67Å; C96-F98 HydrophobicContact CB-CZ 4.23Å
97L91Very high83.6Confident37 Ų3774.6 Ų74.619%0.19439%0.388CS..EExtended strand (participates in β ladder)trans-122.5126.2178.7-173.9158.9000107.9I70 V73 T99 C109 I110I70-L97 CarbonylContact O-C 3.41Å; I70-L97 WeakPolarHBondContact O-CA 3.26Å; V73-L97 HydrophobicContact CG2-CD1 3.63Å; V73-L97 HydrophobicContact CG2-CD2 3.49Å; V73-L97 VanDerWaalsContact CG2-CD2 3.49Å; V73-L97 HydrophobicContact CG2-CG 3.32Å; L97-T99 HydrophobicContact CD2-CG2 3.75Å; L97-C109 HydrophobicContact CD1-CB 4.09Å; L97-I110 HydrophobicContact CD1-CG1 3.8Å
98F89.1Confident83.4Confident112 Ų11273.3 Ų73.349%0.49139%0.386SS..EExtended strand (participates in β ladder)trans-120.1131176-61.5-86.3000108.9V69 I70 D71 R72 C96V69-F98 HydrophobicContact CG1-CD2 3.66Å; V69-F98 HydrophobicContact CG1-CE2 3.67Å; I70-F98 PolarHBondContact O-N 3.4Å; D71-F98 CarbonylContact C-O 3.05Å; D71-F98 WeakPolarHBondContact OD1-CB 3.43Å; R72-F98 PolarHBondContact N-O 3.39Å; C96-F98 HydrophobicContact CB-CD2 4.44Å; C96-F98 HydrophobicContact CB-CE2 3.67Å; C96-F98 HydrophobicContact CB-CZ 4.23Å
99T83.3Confident83.2Confident48 Ų4873.5 Ų73.529%0.29439%0.387SS..  trans-154.2157.6-179178.20000109.5E74 L97 G101 C106E74-T99 PolarHBondContact OE1-OG1 2.92Å; E74-T99 WeakPolarHBondContact OE2-CB 3.23Å; E74-T99 PolarHBondContact OE2-OG1 3.06Å; L97-T99 HydrophobicContact CD2-CG2 3.75Å; T99-G101 VanDerWaalsContact C-N 3.3Å; T99-G101 VanDerWaalsContact CG2-O 3.3Å; T99-G101 WeakPolarHBondContact CG2-O 3.24Å; T99-G101 PolarHBondContact OG1-N 2.93Å; T99-G101 PolarHBondContact OG1-O 3.39Å; T99-G101 VanDerWaalsContact OG1-O 3.09Å; T99-C106 HydrophobicContact CG2-CB 4.46Å
100S74Confident83.1Confident110 Ų11072.5 Ų72.577%0.76938%0.379SS*.SBendtrans-75.3-19.2177.665.50000113.4E74E74-S100 WeakPolarHBondContact OE1-CB 3.27Å; E74-S100 PolarHBondContact OE1-N 2.82Å; E74-S100 PolarHBondContact OE1-OG 3.11Å
101G73.1Confident83.4Confident31 Ų3168.8 Ų68.832%0.3238%0.382SS..SBendtrans-169.6167.3-178.100000113T99 T103T99-G101 VanDerWaalsContact C-N 3.3Å; T99-G101 VanDerWaalsContact CG2-O 3.3Å; T99-G101 WeakPolarHBondContact CG2-O 3.24Å; T99-G101 PolarHBondContact OG1-N 2.93Å; T99-G101 PolarHBondContact OG1-O 3.39Å; T99-G101 VanDerWaalsContact OG1-O 3.09Å; G101-T103 VanDerWaalsContact C-N 3.32Å; G101-T103 PolarHBondContact O-N 2.97Å
102M76.8Confident83.9Confident79 Ų7966.7 Ų66.739%0.38937%0.37SS..  trans-87.471.6-176.5-164.949.4161.100111.4C106 Q107 I110M102-C106 HydrophobicContact SD-CB 4.1Å; M102-C106 PolarHBondContact SD-SG 2.93Å; M102-Q107 HydrophobicContact CE-CG 3.64Å; M102-Q107 HydrophobicContact CG-CG 4.09Å; M102-Q107 HydrophobicContact SD-CG 3.94Å; M102-I110 HydrophobicContact CE-CD1 3.18Å; M102-I110 HydrophobicContact SD-CD1 3.68Å
103T77.5Confident84.4Confident43 Ų4359.6 Ų59.626%0.26434%0.336SS..  trans-75.2169.1177.577.80000112.1E74 G101 E105 C106 Q107E74-T103 HydrophobicContact CB-CG2 4.48Å; G101-T103 VanDerWaalsContact C-N 3.32Å; G101-T103 PolarHBondContact O-N 2.97Å; T103-E105 VanDerWaalsContact C-N 3.3Å; T103-E105 WeakPolarHBondContact CB-OE2 3.37Å; T103-E105 PolarHBondContact O-N 3.3Å; T103-E105 PolarHBondContact OG1-N 3.42Å; T103-E105 PolarHBondContact OG1-OE2 2.85Å; T103-C106 WeakPolarHBondContact O-CB 3.5Å; T103-C106 PolarHBondContact O-N 3.3Å; T103-C106 PolarHBondContact OG1-N 3.49Å; T103-Q107 WeakPolarHBondContact O-CG 3.36Å; T103-Q107 PolarHBondContact O-N 3.39Å
104T79.6Confident84.4Confident83 Ų8360.6 Ų60.651%0.50934%0.342SS..Hα-helixtrans-60.1-41.4176.5-51.70000111.5C106 Q107 Q108T104-C106 VanDerWaalsContact C-N 3.31Å; T104-C106 PolarHBondContact O-N 3.04Å; T104-Q107 WeakPolarHBondContact O-CB 3.36Å; T104-Q107 PolarHBondContact O-N 3Å; T104-Q108 WeakPolarHBondContact O-CG 3.48Å; T104-Q108 PolarHBondContact O-N 3.28Å
105E80.2Confident84.2Confident93 Ų9359 Ų5944%0.43533%0.334SS..Hα-helixtrans-62.6-40.9177.8-57.174.1-160.900110.6T103 Q108 C109T103-E105 VanDerWaalsContact C-N 3.3Å; T103-E105 WeakPolarHBondContact CB-OE2 3.37Å; T103-E105 PolarHBondContact O-N 3.3Å; T103-E105 PolarHBondContact OG1-N 3.42Å; T103-E105 PolarHBondContact OG1-OE2 2.85Å; E105-Q108 PolarHBondContact O-N 3.43Å; E105-C109 WeakPolarHBondContact O-CB 3.29Å; E105-C109 PolarHBondContact O-N 3.43Å; E105-C109 PolarHBondContact O-SG 3.16Å; E105-C109 VanDerWaalsContact O-SG 3.36Å
106C82.6Confident83.9Confident1 Ų163.8 Ų63.81%0.00737%0.37CS..Hα-helixtrans-62.9-47.8173.8-177.70000111.6T99 M102 T103 T104 Q108 C109 I110T99-C106 HydrophobicContact CG2-CB 4.46Å; M102-C106 HydrophobicContact SD-CB 4.1Å; M102-C106 PolarHBondContact SD-SG 2.93Å; T103-C106 WeakPolarHBondContact O-CB 3.5Å; T103-C106 PolarHBondContact O-N 3.3Å; T103-C106 PolarHBondContact OG1-N 3.49Å; T104-C106 VanDerWaalsContact C-N 3.31Å; T104-C106 PolarHBondContact O-N 3.04Å; C106-Q108 VanDerWaalsContact C-N 3.3Å; C106-Q108 PolarHBondContact O-N 3.04Å; C106-C109 PolarHBondContact O-N 3.1Å; C106-C109 VanDerWaalsContact O-N 3.16Å; C106-I110 WeakPolarHBondContact O-CB 3.39Å; C106-I110 VanDerWaalsContact O-CG1 3.28Å; C106-I110 WeakPolarHBondContact O-CG1 3.28Å; C106-I110 PolarHBondContact O-N 3.07Å; C106-I110 VanDerWaalsContact SG-CD1 3.56Å
107Q84.4Confident83.7Confident107 Ų10768.3 Ų68.350%0.539%0.392SS..Hα-helixtrans-58.3-41.7177.2-71.5176.8-9.500112.2M102 T103 T104 I110 G111M102-Q107 HydrophobicContact CE-CG 3.64Å; M102-Q107 HydrophobicContact CG-CG 4.09Å; M102-Q107 HydrophobicContact SD-CG 3.94Å; T103-Q107 WeakPolarHBondContact O-CG 3.36Å; T103-Q107 PolarHBondContact O-N 3.39Å; T104-Q107 WeakPolarHBondContact O-CB 3.36Å; T104-Q107 PolarHBondContact O-N 3Å; Q107-I110 PolarHBondContact O-N 3.18Å; Q107-G111 PolarHBondContact O-N 3.36Å
108Q86Confident83.5Confident83 Ų8370.7 Ų70.739%0.38840%0.401SS..Hα-helixtrans-63.8-45.9175.2-73172.5-13.300111.6T104 E105 C106 I110 G111 N112T104-Q108 WeakPolarHBondContact O-CG 3.48Å; T104-Q108 PolarHBondContact O-N 3.28Å; E105-Q108 PolarHBondContact O-N 3.43Å; C106-Q108 VanDerWaalsContact C-N 3.3Å; C106-Q108 PolarHBondContact O-N 3.04Å; Q108-I110 VanDerWaalsContact C-N 3.32Å; Q108-I110 PolarHBondContact O-N 2.94Å; Q108-G111 PolarHBondContact O-N 2.95Å; Q108-N112 VanDerWaalsContact O-CB 3.26Å; Q108-N112 WeakPolarHBondContact O-CB 3.41Å; Q108-N112 PolarHBondContact O-N 3.43Å; Q108-N112 PolarHBondContact O-ND2 2.89Å
109C85.8Confident83.5Confident8 Ų872.8 Ų72.85%0.05442%0.416CS..Hα-helixtrans-61.8-40.5176.6-750000112.3V73 L97 E105 C106 N112 Y113V73-C109 HydrophobicContact CG1-CB 3.69Å; V73-C109 WeakPolarHBondContact CG1-SG 3.39Å; L97-C109 HydrophobicContact CD1-CB 4.09Å; E105-C109 WeakPolarHBondContact O-CB 3.29Å; E105-C109 PolarHBondContact O-N 3.43Å; E105-C109 PolarHBondContact O-SG 3.16Å; E105-C109 VanDerWaalsContact O-SG 3.36Å; C106-C109 PolarHBondContact O-N 3.1Å; C106-C109 VanDerWaalsContact O-N 3.16Å; C109-N112 PolarHBondContact O-N 2.83Å; C109-Y113 HydrophobicContact CB-CD2 4.02Å; C109-Y113 HydrophobicContact CB-CE2 4.24Å; C109-Y113 WeakPolarHBondContact O-CB 3.42Å; C109-Y113 WeakPolarHBondContact O-CD2 3.26Å; C109-Y113 PolarHBondContact O-N 3.16Å
110I84Confident83.7Confident19 Ų1976.6 Ų76.610%0.09743%0.426CS..Hα-helixtrans-59.8-51.9175.2-72.1167.5000109.9L97 M102 C106 Q107 Q108 N112 L114 F118L97-I110 HydrophobicContact CD1-CG1 3.8Å; M102-I110 HydrophobicContact CE-CD1 3.18Å; M102-I110 HydrophobicContact SD-CD1 3.68Å; C106-I110 WeakPolarHBondContact O-CB 3.39Å; C106-I110 VanDerWaalsContact O-CG1 3.28Å; C106-I110 WeakPolarHBondContact O-CG1 3.28Å; C106-I110 PolarHBondContact O-N 3.07Å; C106-I110 VanDerWaalsContact SG-CD1 3.56Å; Q107-I110 PolarHBondContact O-N 3.18Å; Q108-I110 VanDerWaalsContact C-N 3.32Å; Q108-I110 PolarHBondContact O-N 2.94Å; I110-N112 VanDerWaalsContact C-N 3.32Å; I110-N112 PolarHBondContact O-N 3.12Å; I110-L114 HydrophobicContact CB-CD1 4.19Å; I110-L114 HydrophobicContact CG1-CD1 3.73Å; I110-L114 HydrophobicContact CG2-CD1 4.1Å; I110-L114 WeakPolarHBondContact O-CB 3.22Å; I110-L114 PolarHBondContact O-N 3.35Å; I110-F118 HydrophobicContact CG2-CE1 3.88Å; I110-F118 HydrophobicContact CG2-CE2 4.18Å; I110-F118 HydrophobicContact CG2-CZ 3.65Å
111G86.6Confident84.2Confident64 Ų6476.5 Ų76.566%0.6642%0.421SS*.Hα-helixtrans-65-32.6-179.500000114.2Q107 Q108Q107-G111 PolarHBondContact O-N 3.36Å; Q108-G111 PolarHBondContact O-N 2.95Å
112N88Confident84.2Confident104 Ų10477.1 Ų77.156%0.55642%0.421SS*.Hα-helixtrans-83.5-31.6-176.6-72.7-23.2000113.6Q108 C109 I110Q108-N112 VanDerWaalsContact O-CB 3.26Å; Q108-N112 WeakPolarHBondContact O-CB 3.41Å; Q108-N112 PolarHBondContact O-N 3.43Å; Q108-N112 PolarHBondContact O-ND2 2.89Å; C109-N112 PolarHBondContact O-N 2.83Å; I110-N112 VanDerWaalsContact C-N 3.32Å; I110-N112 PolarHBondContact O-N 3.12Å
113Y88Confident83.7Confident28 Ų2881.4 Ų81.411%0.1144%0.444CS..Hα-helixtrans-120.4-43.7-166.4-51.5-55.3000113.3I70 L81 K82 M85 M95 C109I70-Y113 HydrophobicContact CD1-CD2 4.41Å; L81-Y113 HydrophobicContact CD2-CE2 3.79Å; L81-Y113 HydrophobicContact CG-CE2 4.03Å; K82-Y113 WeakPolarHBondContact CA-OH 3.25Å; K82-Y113 WeakPolarHBondContact CB-OH 3.49Å; K82-Y113 PolarHBondContact N-OH 2.81Å; M85-Y113 HydrophobicContact CB-CD1 4.11Å; M85-Y113 HydrophobicContact CB-CE1 3.76Å; M85-Y113 HydrophobicContact CE-CD1 4.14Å; M85-Y113 HydrophobicContact CE-CG 4.17Å; M85-Y113 HydrophobicContact CG-CD1 4.17Å; M85-Y113 HydrophobicContact CG-CE1 3.96Å; M95-Y113 WeakPolarHBondContact CE-O 3.28Å; C109-Y113 HydrophobicContact CB-CD2 4.02Å; C109-Y113 HydrophobicContact CB-CE2 4.24Å; C109-Y113 WeakPolarHBondContact O-CB 3.42Å; C109-Y113 WeakPolarHBondContact O-CD2 3.26Å; C109-Y113 PolarHBondContact O-N 3.16Å
114L87.7Confident82.4Confident33 Ų3385.2 Ų85.217%0.17346%0.463CS..SBendtrans-71.6151.8-173.2-68.3-179.6000111.5M95 I110 F118M95-L114 HydrophobicContact CB-CD2 3.84Å; M95-L114 HydrophobicContact CE-CD2 3.69Å; M95-L114 HydrophobicContact CE-CG 4.22Å; M95-L114 HydrophobicContact CG-CD2 3.73Å; M95-L114 HydrophobicContact SD-CD2 4.45Å; I110-L114 HydrophobicContact CB-CD1 4.19Å; I110-L114 HydrophobicContact CG1-CD1 3.73Å; I110-L114 HydrophobicContact CG2-CD1 4.1Å; I110-L114 WeakPolarHBondContact O-CB 3.22Å; I110-L114 PolarHBondContact O-N 3.35Å; L114-F118 HydrophobicContact CB-CB 4.34Å; L114-F118 HydrophobicContact CB-CG 4.45Å; L114-F118 HydrophobicContact CD1-CB 4.21Å; L114-F118 HydrophobicContact CD1-CD2 3.99Å; L114-F118 HydrophobicContact CD1-CG 4.04Å
115H86.5Confident80.9Confident89 Ų8989.7 Ų89.741%0.41248%0.475SS..  trans-67.5155.1170.7-62.6179.1000110.3D117 F118H115-D117 VanDerWaalsContact CB-OD1 3.24Å; H115-D117 WeakPolarHBondContact CB-OD1 3.49Å; H115-D117 PolarHBondContact O-N 2.93Å; H115-D117 VanDerWaalsContact O-N 3.16Å; H115-F118 VanDerWaalsContact O-CD1 3.29Å; H115-F118 WeakPolarHBondContact O-CD1 3.32Å; H115-F118 PolarHBondContact O-N 2.76Å
116S85.7Confident79.2Confident128 Ų12890.5 Ų90.590%0.89548%0.482SS*.THydrogen-bonded Turntrans-65.3-18.5-177.252.80000114.3
117D87.4Confident76.9Confident134 Ų13493.4 Ų93.472%0.71751%0.512SS*.THydrogen-bonded Turntrans-10225.7-17964.8-28.1000113.5H115H115-D117 VanDerWaalsContact CB-OD1 3.24Å; H115-D117 WeakPolarHBondContact CB-OD1 3.49Å; H115-D117 PolarHBondContact O-N 2.93Å; H115-D117 VanDerWaalsContact O-N 3.16Å
118F87Confident74.7Confident88 Ų8892.9 Ų92.939%0.38652%0.52SS..PPolyproline II helixtrans-63.2143.9179.573.6-81.2000113.2I110 L114 H115I110-F118 HydrophobicContact CG2-CE1 3.88Å; I110-F118 HydrophobicContact CG2-CE2 4.18Å; I110-F118 HydrophobicContact CG2-CZ 3.65Å; L114-F118 HydrophobicContact CB-CB 4.34Å; L114-F118 HydrophobicContact CB-CG 4.45Å; L114-F118 HydrophobicContact CD1-CB 4.21Å; L114-F118 HydrophobicContact CD1-CD2 3.99Å; L114-F118 HydrophobicContact CD1-CG 4.04Å; H115-F118 VanDerWaalsContact O-CD1 3.29Å; H115-F118 WeakPolarHBondContact O-CD1 3.32Å; H115-F118 PolarHBondContact O-N 2.76Å
119L90.3Very high72.2Confident155 Ų15599.7 Ų99.781%0.81254%0.542SS*.PPolyproline II helixtrans-85.2117.8170.8178.565.3000109.7V121L119-V121 HydrophobicContact CD2-CG2 4.03Å; L119-V121 HydrophobicContact CG-CG2 3.97Å
120Y86.4Confident69.8Low128 Ų128105.8 Ų105.850%0.50258%0.579SS.*PPolyproline II helixtrans-92.8116.4172.1179.6-111.1000110.4
121V83.7Confident67.9Low108 Ų108109 Ų10966%0.65561%0.609SS**  trans-111.6104172.2-176.70000107.9L119L119-V121 HydrophobicContact CD2-CG2 4.03Å; L119-V121 HydrophobicContact CG-CG2 3.97Å
122S74.9Confident66Low45 Ų45113.4 Ų113.432%0.31561%0.61SS.*  trans-90.3126.6169-173.30000108.9D124S122-D124 WeakPolarHBondContact CB-OD1 3.49Å; S122-D124 PolarHBondContact O-N 2.88Å; S122-D124 PolarHBondContact OG-N 3.11Å; S122-D124 PolarHBondContact OG-OD1 3.17Å
123L64.8Low64Low168 Ų168112.2 Ų112.288%0.8862%0.615SS**  trans-82.483154-58179.4000105.2K125L123-K125 PolarHBondContact O-N 3.49Å
124D50.4Low62.4Low123 Ų123112 Ų11266%0.65862%0.616SS**  trans-48.3142.7176.6-80-15.2000109.3S122 L126S122-D124 WeakPolarHBondContact CB-OD1 3.49Å; S122-D124 PolarHBondContact O-N 2.88Å; S122-D124 PolarHBondContact OG-N 3.11Å; S122-D124 PolarHBondContact OG-OD1 3.17Å; D124-L126 PolarHBondContact O-N 3.3Å
125K48.5Very low61.2Low177 Ų177113.1 Ų113.177%0.7763%0.626SS**SBendtrans-54.888.6171.3-75.1-169.9172.7-164.80108.7L123 G127 E254L123-K125 PolarHBondContact O-N 3.49Å; K125-G127 PolarHBondContact O-N 3.46Å; K125-E254 IonicContact NZ-OE1 3.84Å; K125-E254 PolarHBondContact NZ-OE1 3.48Å
126L43.6Very low60.6Low110 Ų110109 Ų10958%0.57661%0.608SS**SBendtrans5151162.9-72.4144.8000115.4D124 N291D124-L126 PolarHBondContact O-N 3.3Å; L126-N291 WeakPolarHBondContact CD2-ND2 3.41Å
127G36Very low60.8Low62 Ų62108.7 Ų108.764%0.63959%0.59SS**  trans-91.2102.7153.900000110.2K125K125-G127 PolarHBondContact O-N 3.46Å
128S37.8Very low61.1Low96 Ų96102.9 Ų102.967%0.67156%0.559SS**SBendtrans77.393.8160.9-179.60000119.4T130S128-T130 PolarHBondContact O-N 2.88Å
129R32.5Very low61.4Low227 Ų227101.8 Ų101.886%0.85756%0.557SS**SBend87.9-9.1124.6-72.9-177.3147.9-160.4-6123.8
130T36.9Very low61.6Low135 Ų13595.2 Ų95.283%0.82852%0.523SS*.  trans-154.7125.7176.448.90000108.3S128S128-T130 PolarHBondContact O-N 2.88Å
131A44Very low62.1Low88 Ų8891.2 Ų91.273%0.72751%0.51SS*.SBend-163-5.46200000114.9A133A131-A133 VanDerWaalsContact C-N 3.35Å; A131-A133 PolarHBondContact O-N 2.77Å
132F45.2Very low62.7Low155 Ų15589.8 Ų89.868%0.6850%0.499SS*.  trans-96.682.2159.8-59.9-74000105.7L134F132-L134 PolarHBondContact O-N 2.96Å
133A46Very low63.7Low79 Ų7988.3 Ų88.365%0.65349%0.487SS*.  trans-47.3102.7155.300000105.4A131 S135A131-A133 VanDerWaalsContact C-N 3.35Å; A131-A133 PolarHBondContact O-N 2.77Å; A133-S135 WeakPolarHBondContact O-CB 3.34Å; A133-S135 PolarHBondContact O-N 2.96Å; A133-S135 PolarHBondContact O-OG 3.44Å
134L56.1Low65.1Low25 Ų2583 Ų8313%0.13147%0.465CS..  trans-63.574.7172.6-71.5165.3000105.9F132 G136 V260 A288 N291 A292F132-L134 PolarHBondContact O-N 2.96Å; L134-G136 VanDerWaalsContact C-N 3.31Å; L134-V260 HydrophobicContact CD2-CB 4.45Å; L134-V260 HydrophobicContact CD2-CG1 3.13Å; L134-A288 WeakPolarHBondContact CD1-O 3.27Å; L134-N291 HydrophobicContact CD1-CB 3.41Å; L134-N291 VanDerWaalsContact CD1-CB 3.41Å; L134-A292 HydrophobicContact CB-CB 3.52Å; L134-A292 HydrophobicContact CD1-CB 4.05Å; L134-A292 HydrophobicContact CG-CB 4.45Å
135S60.6Low67.1Low55 Ų5579.7 Ų79.739%0.38545%0.451SS..  trans-84.6-20.6-163.427.90000109.9A133 E265A133-S135 WeakPolarHBondContact O-CB 3.34Å; A133-S135 PolarHBondContact O-N 2.96Å; A133-S135 PolarHBondContact O-OG 3.44Å; S135-E265 CarbonylContact C-O 3.58Å; S135-E265 VanDerWaalsContact OG-CA 3.25Å; S135-E265 WeakPolarHBondContact OG-CA 3.33Å
136G74.2Confident69.2Low3 Ų375.9 Ų75.93%0.03145%0.452CS..SBendtrans-62.8150.4168.800000113.5L134 H138 E265 G267 Q294L134-G136 VanDerWaalsContact C-N 3.31Å; G136-H138 PolarHBondContact O-CD2 3.35Å; G136-H138 VanDerWaalsContact O-CD2 3.27Å; G136-E265 PolarHBondContact N-O 3.26Å; G136-G267 CarbonylContact C-O 3.54Å; G136-G267 WeakPolarHBondContact CA-O 3.45Å; G136-Q294 PolarHBondContact O-NE2 3.31Å
137K90.3Very high71.6Confident121 Ų12172.8 Ų72.853%0.52644%0.44SS..EExtended strand (participates in β ladder)trans-72.8124.9173.6-176.3-175.9-179.5-170.10109.9L139 G267 T268 V269K137-L139 HydrophobicContact CD-CD2 4.45Å; K137-L139 HydrophobicContact CD-CG 4.42Å; K137-L139 HydrophobicContact CG-CG 4.38Å; K137-G267 PolarHBondContact N-O 3.39Å; K137-T268 HydrophobicContact CB-CG2 4.49Å; K137-T268 CarbonylContact O-C 3.44Å; K137-T268 VanDerWaalsContact O-CA 3.27Å; K137-T268 WeakPolarHBondContact O-CA 3.46Å; K137-T268 WeakPolarHBondContact O-CG2 3.35Å; K137-V269 PolarHBondContact O-N 3.41Å
138H92.9Very high74.3Confident13 Ų1370 Ų706%0.0641%0.41CS..EExtended strand (participates in β ladder)trans-97.5121.9175.5-72.8-112.5000110.1G136 V269 L289 Q294G136-H138 PolarHBondContact O-CD2 3.35Å; G136-H138 VanDerWaalsContact O-CD2 3.27Å; H138-V269 CarbonylContact C-O 3.57Å; H138-V269 WeakPolarHBondContact CA-O 3.37Å; H138-L289 HydrophobicContact CB-CD2 3.42Å; H138-L289 VanDerWaalsContact CB-CD2 3.42Å; H138-Q294 PolarHBondContact CD2-NE2 3.32Å; H138-Q294 PolarHBondContact O-OE1 2.98Å
139L94Very high76.9Confident64 Ų6468 Ų6834%0.33539%0.392SS..EExtended strand (participates in β ladder)trans-115.7111.3176.9-69.5175.4000108.6K137 T268 V269 T270 T271K137-L139 HydrophobicContact CD-CD2 4.45Å; K137-L139 HydrophobicContact CD-CG 4.42Å; K137-L139 HydrophobicContact CG-CG 4.38Å; L139-T268 HydrophobicContact CD1-CG2 3.82Å; L139-T268 HydrophobicContact CG-CG2 4.26Å; L139-V269 PolarHBondContact N-O 3.39Å; L139-T270 CarbonylContact O-C 3.53Å; L139-T270 WeakPolarHBondContact O-CA 3.41Å; L139-T271 PolarHBondContact O-N 3.38Å
140V95.9Very high79.7Confident18 Ų1863.8 Ų63.811%0.10938%0.382CS..EExtended strand (participates in β ladder)trans-104.5121.8173.6-165.10000108.2T271 Y273 I285 L289 P297 W299 L300V140-T271 WeakPolarHBondContact CA-O 3.43Å; V140-T271 HydrophobicContact CG1-CG2 4.48Å; V140-Y273 HydrophobicContact CG1-CG 4.46Å; V140-I285 HydrophobicContact CG1-CG2 4.15Å; V140-I285 HydrophobicContact CG2-CG2 3.53Å; V140-L289 HydrophobicContact CG2-CD1 3.84Å; V140-L289 HydrophobicContact CG2-CD2 4.44Å; V140-L289 HydrophobicContact CG2-CG 4.45Å; V140-P297 HydrophobicContact CB-CG 4.42Å; V140-W299 HydrophobicContact CB-CH2 4.3Å; V140-W299 HydrophobicContact CG1-CH2 3.73Å; V140-W299 HydrophobicContact CG1-CZ3 4.42Å; V140-L300 HydrophobicContact CG2-CD2 4.49Å
141I95.8Very high82.4Confident43 Ų4360.6 Ų60.622%0.22136%0.357CS..EExtended strand (participates in β ladder)trans-118.1117.5-170-54.9178.9000107.6V143 F151 T270 T271 L272 Y273I141-V143 PolarHBondContact O-N 2.9Å; I141-F151 HydrophobicContact CD1-CD1 4.43Å; I141-F151 HydrophobicContact CD1-CE1 3.33Å; I141-F151 HydrophobicContact CD1-CZ 3.5Å; I141-F151 HydrophobicContact CG2-CE1 4.15Å; I141-F151 HydrophobicContact CG2-CE2 4.09Å; I141-F151 HydrophobicContact CG2-CZ 3.83Å; I141-T270 HydrophobicContact CD1-CG2 3.78Å; I141-T271 PolarHBondContact N-O 2.89Å; I141-L272 HydrophobicContact CB-CD2 4.23Å; I141-L272 HydrophobicContact CD1-CD2 4.41Å; I141-Y273 PolarHBondContact O-N 3.13Å
142D95.7Very high84.8Confident79 Ų7956.4 Ų56.442%0.42232%0.322SS..EExtended strand (participates in β ladder)trans-69.5112172.3-178.97.3000108.7Y273 R275 W299D142-Y273 WeakPolarHBondContact CA-O 3.33Å; D142-R275 VanDerWaalsContact OD1-CG 3.31Å; D142-R275 WeakPolarHBondContact OD1-CG 3.42Å; D142-R275 VanDerWaalsContact OD2-CD 3.23Å; D142-R275 WeakPolarHBondContact OD2-CD 3.33Å; D142-W299 HydrophobicContact CB-CH2 4.05Å; D142-W299 HydrophobicContact CB-CZ2 3.79Å
143V96Very high87Confident13 Ų1352.5 Ų52.58%0.07931%0.308CS..  trans-146.1134.1-178.1640000109.5I141 K148 F151 L272 Y273 D274I141-V143 PolarHBondContact O-N 2.9Å; V143-K148 HydrophobicContact CG1-CG 3.82Å; V143-K148 HydrophobicContact CG2-CG 4.48Å; V143-F151 HydrophobicContact CG2-CB 4.37Å; V143-L272 HydrophobicContact CG1-CB 3.67Å; V143-L272 HydrophobicContact CG1-CD2 4.14Å; V143-L272 HydrophobicContact CG1-CG 4.31Å; V143-Y273 PolarHBondContact N-O 3.4Å; V143-Y273 CarbonylContact O-C 3.58Å; V143-D274 VanDerWaalsContact O-CA 3.31Å; V143-D274 WeakPolarHBondContact O-CA 3.49Å; V143-D274 WeakPolarHBondContact O-CB 3.43Å
144S95.5Very high89.1Confident58 Ų5851.5 Ų51.541%0.40630%0.296SS..  trans-66.7148.6173.583.30000110.6A146 S147 K148S144-A146 PolarHBondContact O-N 3.27Å; S144-A146 VanDerWaalsContact O-N 3.14Å; S144-S147 WeakPolarHBondContact O-CA 3.44Å; S144-S147 PolarHBondContact O-N 2.83Å; S144-S147 PolarHBondContact OG-N 3.42Å; S144-S147 PolarHBondContact OG-OG 3.36Å; S144-S147 VanDerWaalsContact OG-OG 3.13Å; S144-K148 PolarHBondContact O-N 2.89Å
145S92Very high90.8Very high53 Ų5351.3 Ų51.337%0.37130%0.295SS..G310 helixtrans-53.7-36.9178.6-62.20000112.2S147 K148 D274S145-S147 VanDerWaalsContact C-N 3.25Å; S145-S147 PolarHBondContact O-N 2.88Å; S145-K148 PolarHBondContact O-N 3.46Å; S145-D274 WeakPolarHBondContact CB-OD2 3.44Å; S145-D274 PolarHBondContact N-OD2 3.3Å; S145-D274 PolarHBondContact OG-OD2 3.15Å
146A91.2Very high92.3Very high96 Ų9648.7 Ų48.779%0.79328%0.277SS*.G310 helixtrans-67-23.2177.300000113.9S144S144-A146 PolarHBondContact O-N 3.27Å; S144-A146 VanDerWaalsContact O-N 3.14Å
147S94.5Very high93Very high45 Ų4551.9 Ų51.932%0.31529%0.293SS..G310 helixtrans-101.8-7.2-178-55.70000113.5S144 S145 N149 E150 F151S144-S147 WeakPolarHBondContact O-CA 3.44Å; S144-S147 PolarHBondContact O-N 2.83Å; S144-S147 PolarHBondContact OG-N 3.42Å; S144-S147 PolarHBondContact OG-OG 3.36Å; S144-S147 VanDerWaalsContact OG-OG 3.13Å; S145-S147 VanDerWaalsContact C-N 3.25Å; S145-S147 PolarHBondContact O-N 2.88Å; S147-N149 VanDerWaalsContact C-N 3.32Å; S147-N149 PolarHBondContact O-N 3.13Å; S147-E150 PolarHBondContact O-N 3.47Å; S147-F151 PolarHBondContact O-N 2.57Å
148K94.1Very high93Very high4 Ų450 Ų502%0.01729%0.288CS..Hα-helixtrans-56.7-45.3-178.9-72.2-176.4176.3-163.50111.8V143 S144 S145 E150 F151 M152 H247 D248 L272 D278V143-K148 HydrophobicContact CG1-CG 3.82Å; V143-K148 HydrophobicContact CG2-CG 4.48Å; S144-K148 PolarHBondContact O-N 2.89Å; S145-K148 PolarHBondContact O-N 3.46Å; K148-E150 VanDerWaalsContact C-N 3.35Å; K148-E150 PolarHBondContact O-N 3.01Å; K148-F151 WeakPolarHBondContact O-CB 3.36Å; K148-F151 PolarHBondContact O-N 2.99Å; K148-F151 VanDerWaalsContact O-N 3.13Å; K148-M152 WeakPolarHBondContact O-CG 3.44Å; K148-M152 PolarHBondContact O-N 3.19Å; K148-H247 VanDerWaalsContact CB-NE2 3.33Å; K148-H247 WeakPolarHBondContact CB-NE2 3.49Å; K148-H247 WeakPolarHBondContact CD-O 3.43Å; K148-H247 WeakPolarHBondContact CE-O 3.28Å; K148-H247 PolarHBondContact NZ-O 2.91Å; K148-D248 IonicContact NZ-OD1 3.22Å; K148-D248 PolarHBondContact NZ-OD1 3.29Å; K148-L272 HydrophobicContact CB-CD1 4.09Å; K148-L272 HydrophobicContact CD-CB 4.43Å; K148-L272 HydrophobicContact CG-CB 4.31Å; K148-L272 HydrophobicContact CG-CD1 4.24Å; K148-D278 IonicContact NZ-OD2 2.83Å
149N92.1Very high92.8Very high53 Ų5349.6 Ų49.628%0.28329%0.287SS..Hα-helixtrans-61.7-40.1179.9-65.44.1000112.5S147 M152 I153 I186 I189 H247S147-N149 VanDerWaalsContact C-N 3.32Å; S147-N149 PolarHBondContact O-N 3.13Å; N149-M152 WeakPolarHBondContact O-CB 3.29Å; N149-M152 PolarHBondContact O-N 3.09Å; N149-I153 PolarHBondContact O-N 2.77Å; N149-I186 HydrophobicContact CB-CD1 4.16Å; N149-I186 VanDerWaalsContact OD1-CD1 3.27Å; N149-I186 WeakPolarHBondContact OD1-CD1 3.37Å; N149-I189 HydrophobicContact CB-CD1 4.09Å; N149-H247 PolarHBondContact OD1-NE2 3.22Å; N149-H247 VanDerWaalsContact OD1-NE2 3.15Å
150E91.4Very high92.3Very high140 Ų14047 Ų4765%0.65428%0.275SS*.Hα-helixtrans-66.4-41175.4-175.1179.1-171.600111S147 K148 M152 I153 S154S147-E150 PolarHBondContact O-N 3.47Å; K148-E150 VanDerWaalsContact C-N 3.35Å; K148-E150 PolarHBondContact O-N 3.01Å; E150-M152 VanDerWaalsContact C-N 3.29Å; E150-M152 PolarHBondContact O-N 3.49Å; E150-I153 WeakPolarHBondContact O-CB 3.29Å; E150-I153 PolarHBondContact O-N 3.48Å; E150-I153 VanDerWaalsContact O-N 3.17Å; E150-S154 PolarHBondContact O-N 2.6Å
151F93.2Very high91.8Very high67 Ų6751.5 Ų51.529%0.29429%0.293SS..Hα-helixtrans-65.2-34.5177.1-157.6-89000112.3I141 V143 S147 K148 I153 S154 I155 L272I141-F151 HydrophobicContact CD1-CD1 4.43Å; I141-F151 HydrophobicContact CD1-CE1 3.33Å; I141-F151 HydrophobicContact CD1-CZ 3.5Å; I141-F151 HydrophobicContact CG2-CE1 4.15Å; I141-F151 HydrophobicContact CG2-CE2 4.09Å; I141-F151 HydrophobicContact CG2-CZ 3.83Å; V143-F151 HydrophobicContact CG2-CB 4.37Å; S147-F151 PolarHBondContact O-N 2.57Å; K148-F151 WeakPolarHBondContact O-CB 3.36Å; K148-F151 PolarHBondContact O-N 2.99Å; K148-F151 VanDerWaalsContact O-N 3.13Å; F151-I153 VanDerWaalsContact C-N 3.28Å; F151-I153 PolarHBondContact O-N 3.49Å; F151-S154 WeakPolarHBondContact O-CB 3.14Å; F151-S154 PolarHBondContact O-N 2.92Å; F151-S154 VanDerWaalsContact O-N 3.11Å; F151-I155 HydrophobicContact CD1-CD1 3.49Å; F151-I155 VanDerWaalsContact CD1-CD1 3.49Å; F151-I155 HydrophobicContact CD1-CG1 3.77Å; F151-I155 HydrophobicContact CE1-CD1 3.62Å; F151-I155 HydrophobicContact CE1-CG1 3.62Å; F151-I155 PolarHBondContact O-N 3.29Å; F151-L272 HydrophobicContact CD1-CD2 3.52Å; F151-L272 HydrophobicContact CE1-CD2 3.97Å; F151-L272 HydrophobicContact CG-CD2 4.35Å
152M93.2Very high91Very high0 Ų053.5 Ų53.50%030%0.304CS..Hα-helixtrans-59.7-37.6173.4-71.7-66.6-83.600112.5K148 N149 E150 S154 I155 F156 V175 I186 I245 H247 L272K148-M152 WeakPolarHBondContact O-CG 3.44Å; K148-M152 PolarHBondContact O-N 3.19Å; N149-M152 WeakPolarHBondContact O-CB 3.29Å; N149-M152 PolarHBondContact O-N 3.09Å; E150-M152 VanDerWaalsContact C-N 3.29Å; E150-M152 PolarHBondContact O-N 3.49Å; M152-S154 VanDerWaalsContact C-N 3.29Å; M152-S154 PolarHBondContact O-N 2.94Å; M152-I155 PolarHBondContact O-N 2.77Å; M152-I155 HydrophobicContact SD-CD1 4.3Å; M152-F156 HydrophobicContact CE-CD2 4.15Å; M152-F156 HydrophobicContact CE-CE2 3.57Å; M152-F156 WeakPolarHBondContact O-CB 3.3Å; M152-F156 WeakPolarHBondContact O-CD2 3.34Å; M152-F156 PolarHBondContact O-N 3.28Å; M152-V175 HydrophobicContact CE-CG1 3.59Å; M152-V175 HydrophobicContact CE-CG2 4.5Å; M152-I186 HydrophobicContact CE-CG2 3.89Å; M152-I186 HydrophobicContact CG-CD1 4.29Å; M152-I245 HydrophobicContact CE-CG2 4.19Å; M152-I245 HydrophobicContact SD-CG2 3.78Å; M152-H247 HydrophobicContact CE-CB 4.39Å; M152-H247 HydrophobicContact SD-CB 4.48Å; M152-L272 HydrophobicContact CG-CD1 4.19Å; M152-L272 HydrophobicContact SD-CD1 4.01Å
153I92Very high90.3Very high73 Ų7350.6 Ų50.637%0.37429%0.287SS..Hα-helixtrans-58.4-45.7174.7-61.7167.2000109.8N149 E150 F151 F156 N157 I189N149-I153 PolarHBondContact O-N 2.77Å; E150-I153 WeakPolarHBondContact O-CB 3.29Å; E150-I153 PolarHBondContact O-N 3.48Å; E150-I153 VanDerWaalsContact O-N 3.17Å; F151-I153 VanDerWaalsContact C-N 3.28Å; F151-I153 PolarHBondContact O-N 3.49Å; I153-F156 PolarHBondContact O-N 2.84Å; I153-N157 VanDerWaalsContact O-CB 3.26Å; I153-N157 WeakPolarHBondContact O-CB 3.45Å; I153-N157 PolarHBondContact O-N 3.46Å; I153-I189 HydrophobicContact CG1-CG2 3.58Å
154S91Very high89.5Confident59 Ų5955.6 Ų55.641%0.41332%0.317SS..Hα-helixtrans-62.3-48.7178.9-171.10000112.1E150 F151 M152 F156 N157 D158E150-S154 PolarHBondContact O-N 2.6Å; F151-S154 WeakPolarHBondContact O-CB 3.14Å; F151-S154 PolarHBondContact O-N 2.92Å; F151-S154 VanDerWaalsContact O-N 3.11Å; M152-S154 VanDerWaalsContact C-N 3.29Å; M152-S154 PolarHBondContact O-N 2.94Å; S154-F156 PolarHBondContact O-N 3.23Å; S154-N157 PolarHBondContact O-N 2.73Å; S154-D158 PolarHBondContact O-N 3.47Å
155I92.3Very high88.6Confident21 Ų2156.3 Ų56.311%0.10833%0.327CS..Hα-helixtrans-58.9-49178.3-64.9167.3000110.6F151 M152 N157 D158 I159 I245 T270 L272F151-I155 HydrophobicContact CD1-CD1 3.49Å; F151-I155 VanDerWaalsContact CD1-CD1 3.49Å; F151-I155 HydrophobicContact CD1-CG1 3.77Å; F151-I155 HydrophobicContact CE1-CD1 3.62Å; F151-I155 HydrophobicContact CE1-CG1 3.62Å; F151-I155 PolarHBondContact O-N 3.29Å; M152-I155 PolarHBondContact O-N 2.77Å; M152-I155 HydrophobicContact SD-CD1 4.3Å; I155-N157 VanDerWaalsContact C-N 3.34Å; I155-N157 PolarHBondContact O-N 2.66Å; I155-D158 PolarHBondContact O-N 3.43Å; I155-I159 HydrophobicContact CG2-CD1 3.76Å; I155-I159 HydrophobicContact CG2-CG1 4.36Å; I155-I159 WeakPolarHBondContact O-CG1 3.4Å; I155-I159 PolarHBondContact O-N 2.96Å; I155-I245 HydrophobicContact CD1-CG2 4.44Å; I155-I245 HydrophobicContact CG2-CD1 3.64Å; I155-I245 HydrophobicContact CG2-CG1 4.38Å; I155-T270 HydrophobicContact CD1-CG2 3.82Å; I155-L272 HydrophobicContact CD1-CD2 4.09Å
156F91.3Very high87.6Confident0 Ų057.7 Ų57.70%033%0.33CS..Hα-helixtrans-71.8-27.9-176.6-89-76.5000113.5M152 I153 S154 D158 I159 G160 V173 V175 V190 Q193 L194 V225 I245M152-F156 HydrophobicContact CE-CD2 4.15Å; M152-F156 HydrophobicContact CE-CE2 3.57Å; M152-F156 WeakPolarHBondContact O-CB 3.3Å; M152-F156 WeakPolarHBondContact O-CD2 3.34Å; M152-F156 PolarHBondContact O-N 3.28Å; I153-F156 PolarHBondContact O-N 2.84Å; S154-F156 PolarHBondContact O-N 3.23Å; F156-D158 VanDerWaalsContact C-N 3.34Å; F156-I159 HydrophobicContact CE1-CD1 4.47Å; F156-G160 WeakPolarHBondContact O-CA 3.14Å; F156-G160 PolarHBondContact O-N 3.1Å; F156-V173 HydrophobicContact CE1-CG1 4.33Å; F156-V173 HydrophobicContact CZ-CG1 4.17Å; F156-V175 HydrophobicContact CE2-CG2 3.93Å; F156-V175 HydrophobicContact CZ-CG2 3.49Å; F156-V175 VanDerWaalsContact CZ-CG2 3.49Å; F156-V190 HydrophobicContact CD1-CG1 3.87Å; F156-V190 HydrophobicContact CD2-CG2 3.96Å; F156-V190 HydrophobicContact CE1-CB 4.5Å; F156-V190 HydrophobicContact CE1-CG1 3.58Å; F156-V190 HydrophobicContact CE1-CG2 4.23Å; F156-V190 HydrophobicContact CE2-CG1 4.5Å; F156-V190 HydrophobicContact CE2-CG2 3.65Å; F156-V190 HydrophobicContact CG-CG1 4.45Å; F156-V190 HydrophobicContact CG-CG2 4.38Å; F156-V190 HydrophobicContact CZ-CG1 3.92Å; F156-V190 HydrophobicContact CZ-CG2 3.8Å; F156-Q193 HydrophobicContact CB-CB 3.74Å; F156-Q193 HydrophobicContact CB-CG 3.9Å; F156-L194 HydrophobicContact CD1-CD1 3.68Å; F156-L194 HydrophobicContact CD1-CG 4.37Å; F156-L194 HydrophobicContact CE1-CD1 3.88Å; F156-V225 HydrophobicContact CE1-CG1 4.44Å; F156-V225 HydrophobicContact CE1-CG2 4.01Å; F156-V225 HydrophobicContact CZ-CG1 4.33Å; F156-I245 HydrophobicContact CE2-CD1 3.8Å; F156-I245 HydrophobicContact CZ-CD1 3.89Å
157N89.8Confident86.2Confident69 Ų6958.8 Ų58.837%0.36933%0.332SS..Hα-helixtrans-61.4-43.9169.6-177.921.8000111I153 S154 I155 G160 K161I153-N157 VanDerWaalsContact O-CB 3.26Å; I153-N157 WeakPolarHBondContact O-CB 3.45Å; I153-N157 PolarHBondContact O-N 3.46Å; S154-N157 PolarHBondContact O-N 2.73Å; I155-N157 VanDerWaalsContact C-N 3.34Å; I155-N157 PolarHBondContact O-N 2.66Å; N157-G160 PolarHBondContact O-N 2.85Å; N157-K161 WeakPolarHBondContact O-CG 3.49Å; N157-K161 PolarHBondContact O-N 3.02Å; N157-K161 WeakPolarHBondContact OD1-CE 3.42Å
158D88.8Confident84.9Confident81 Ų8161.8 Ų61.843%0.43335%0.345SS..Hα-helixtrans-69.6-41.5177.8-72.5-17.4000112.5S154 I155 F156 G160 K161 L162S154-D158 PolarHBondContact O-N 3.47Å; I155-D158 PolarHBondContact O-N 3.43Å; F156-D158 VanDerWaalsContact C-N 3.34Å; D158-G160 VanDerWaalsContact C-N 3.28Å; D158-G160 PolarHBondContact O-N 2.79Å; D158-K161 PolarHBondContact O-N 2.92Å; D158-K161 IonicContact OD1-NZ 2.79Å; D158-K161 PolarHBondContact OD1-NZ 3.42Å; D158-L162 PolarHBondContact O-N 3.41Å; D158-L162 VanDerWaalsContact O-N 3.12Å
159I88.1Confident83.6Confident6 Ų668.4 Ų68.43%0.03137%0.369CS..Hα-helixtrans-60.7-39.8171.4-68.8175.5000110.7I155 F156 K161 L162 Y163 V171 V173 L194 H243 I245I155-I159 HydrophobicContact CG2-CD1 3.76Å; I155-I159 HydrophobicContact CG2-CG1 4.36Å; I155-I159 WeakPolarHBondContact O-CG1 3.4Å; I155-I159 PolarHBondContact O-N 2.96Å; F156-I159 HydrophobicContact CE1-CD1 4.47Å; I159-K161 PolarHBondContact O-N 3.24Å; I159-L162 WeakPolarHBondContact O-CB 3.5Å; I159-L162 PolarHBondContact O-N 3.24Å; I159-Y163 WeakPolarHBondContact O-CB 3.36Å; I159-Y163 PolarHBondContact O-N 2.89Å; I159-V171 HydrophobicContact CG2-CG1 4.3Å; I159-V173 HydrophobicContact CD1-CG1 4.22Å; I159-V173 HydrophobicContact CD1-CG2 4.23Å; I159-V173 HydrophobicContact CG2-CG2 3.88Å; I159-L194 HydrophobicContact CG2-CD1 4.47Å; I159-H243 HydrophobicContact CD1-CB 4.25Å; I159-I245 HydrophobicContact CD1-CD1 3.78Å
160G84.5Confident82.7Confident8 Ų872.8 Ų72.88%0.08239%0.386CS..Hα-helixtrans-61.1-41.7176.900000112.8F156 N157 D158 Y163 V164F156-G160 WeakPolarHBondContact O-CA 3.14Å; F156-G160 PolarHBondContact O-N 3.1Å; N157-G160 PolarHBondContact O-N 2.85Å; D158-G160 VanDerWaalsContact C-N 3.28Å; D158-G160 PolarHBondContact O-N 2.79Å; G160-Y163 PolarHBondContact O-N 3.47Å; G160-V164 WeakPolarHBondContact O-CG2 3.39Å; G160-V164 PolarHBondContact O-N 3.03Å
161K84.5Confident82.3Confident114 Ų11466.3 Ų66.350%0.49636%0.356SS..Hα-helixtrans-61.4-44.1172.8-66.4166.6-160.4156.60111.6N157 D158 I159 V164 A165N157-K161 WeakPolarHBondContact O-CG 3.49Å; N157-K161 PolarHBondContact O-N 3.02Å; N157-K161 WeakPolarHBondContact OD1-CE 3.42Å; D158-K161 PolarHBondContact O-N 2.92Å; D158-K161 IonicContact OD1-NZ 2.79Å; D158-K161 PolarHBondContact OD1-NZ 3.42Å; I159-K161 PolarHBondContact O-N 3.24Å; K161-V164 PolarHBondContact O-N 2.78Å; K161-A165 VanDerWaalsContact O-CB 3.28Å; K161-A165 WeakPolarHBondContact O-CB 3.49Å; K161-A165 PolarHBondContact O-N 2.79Å
162L80.8Confident82.2Confident84 Ų8465 Ų6544%0.4435%0.35SS..Hα-helixtrans-64.2-41176.6-68.7172.7000112D158 I159 V164 A165 N166D158-L162 PolarHBondContact O-N 3.41Å; D158-L162 VanDerWaalsContact O-N 3.12Å; I159-L162 WeakPolarHBondContact O-CB 3.5Å; I159-L162 PolarHBondContact O-N 3.24Å; L162-V164 PolarHBondContact O-N 3.03Å; L162-A165 PolarHBondContact O-N 2.88Å; L162-N166 WeakPolarHBondContact O-CB 3.38Å; L162-N166 PolarHBondContact O-N 2.81Å; L162-N166 PolarHBondContact O-ND2 2.67Å
163Y79.8Confident82.2Confident19 Ų1965 Ų658%0.07535%0.35CS..Hα-helixtrans-62.3-42177.9178.3-104.1000112.2I159 G160 R169 V171 L194 S196 A197 V224I159-Y163 WeakPolarHBondContact O-CB 3.36Å; I159-Y163 PolarHBondContact O-N 2.89Å; G160-Y163 PolarHBondContact O-N 3.47Å; Y163-R169 HydrophobicContact CD2-CB 4.33Å; Y163-R169 HydrophobicContact CE2-CB 3.65Å; Y163-R169 HydrophobicContact CE2-CG 4.27Å; Y163-R169 VanDerWaalsContact CE2-O 3.24Å; Y163-R169 WeakPolarHBondContact CE2-O 3.22Å; Y163-V171 HydrophobicContact CD2-CB 4.19Å; Y163-V171 HydrophobicContact CD2-CG2 4.37Å; Y163-L194 HydrophobicContact CD1-CD2 4.09Å; Y163-L194 HydrophobicContact CG-CD2 4.16Å; Y163-S196 PolarHBondContact OH-O 3.42Å; Y163-A197 HydrophobicContact CE1-CB 4.48Å; Y163-V224 HydrophobicContact CD2-CG1 3.91Å; Y163-V224 HydrophobicContact CD2-CG2 4.28Å; Y163-V224 HydrophobicContact CE2-CB 4.35Å; Y163-V224 HydrophobicContact CE2-CG1 3.91Å; Y163-V224 HydrophobicContact CE2-CG2 3.43Å; Y163-V224 VanDerWaalsContact CE2-CG2 3.43Å
164V79.3Confident82.3Confident117 Ų11761.5 Ų61.571%0.70933%0.332SS*.Hα-helixtrans-71.7-36.4176.4174.30000111.8G160 K161 L162G160-V164 WeakPolarHBondContact O-CG2 3.39Å; G160-V164 PolarHBondContact O-N 3.03Å; K161-V164 PolarHBondContact O-N 2.78Å; L162-V164 PolarHBondContact O-N 3.03Å
165A76.6Confident82.4Confident74 Ų7458.7 Ų58.761%0.61231%0.313SS*.Hα-helixtrans-71.3-31.2179.200000113.2K161 L162 S167K161-A165 VanDerWaalsContact O-CB 3.28Å; K161-A165 WeakPolarHBondContact O-CB 3.49Å; K161-A165 PolarHBondContact O-N 2.79Å; L162-A165 PolarHBondContact O-N 2.88Å; A165-S167 PolarHBondContact O-N 3.28Å
166N71.4Confident82.6Confident81 Ų8157.7 Ų57.743%0.43331%0.307SS..  trans-76109176.4-81.5-27.3000110.6L162 D168 R169 V171L162-N166 WeakPolarHBondContact O-CB 3.38Å; L162-N166 PolarHBondContact O-N 2.81Å; L162-N166 PolarHBondContact O-ND2 2.67Å; N166-D168 PolarHBondContact O-N 3.24Å; N166-D168 VanDerWaalsContact O-N 3.12Å; N166-R169 PolarHBondContact O-N 2.93Å; N166-V171 WeakPolarHBondContact ND2-CG2 3.5Å
167S62.6Low82.7Confident119 Ų11957.7 Ų57.783%0.83231%0.307SS*.THydrogen-bonded Turntrans-51.8-36.9178.9-43.40000113.2A165 R169A165-S167 PolarHBondContact O-N 3.28Å; S167-R169 VanDerWaalsContact C-N 3.32Å
168D66.7Low82.8Confident109 Ų10958 Ų5858%0.58331%0.309SS*.THydrogen-bonded Turntrans-79.4-11.9-179.8-85.219.1000113.3N166 K170N166-D168 PolarHBondContact O-N 3.24Å; N166-D168 VanDerWaalsContact O-N 3.12Å; D168-K170 HydrophobicContact CB-CB 4.35Å; D168-K170 HydrophobicContact CB-CD 3.92Å; D168-K170 HydrophobicContact CB-CG 3.99Å; D168-K170 WeakPolarHBondContact O-CG 3.44Å; D168-K170 PolarHBondContact O-N 3.23Å; D168-K170 IonicContact OD2-NZ 2.83Å; D168-K170 PolarHBondContact OD2-NZ 2.69Å
169R65.8Low82.8Confident142 Ų14256.1 Ų56.154%0.53630%0.302SS..  trans50.526.1-174.6-64.3-176.2179.6-172.1-0.8114.2Y163 N166 S167 V171Y163-R169 HydrophobicContact CD2-CB 4.33Å; Y163-R169 HydrophobicContact CE2-CB 3.65Å; Y163-R169 HydrophobicContact CE2-CG 4.27Å; Y163-R169 VanDerWaalsContact CE2-O 3.24Å; Y163-R169 WeakPolarHBondContact CE2-O 3.22Å; N166-R169 PolarHBondContact O-N 2.93Å; S167-R169 VanDerWaalsContact C-N 3.32Å; R169-V171 VanDerWaalsContact C-N 3.27Å; R169-V171 PolarHBondContact O-N 3.29Å
170K73.2Confident82.8Confident145 Ų14557.6 Ų57.663%0.6331%0.31SS*.  trans-89.247.1-177.9-72.2173.2-172156.20112.5D168D168-K170 HydrophobicContact CB-CB 4.35Å; D168-K170 HydrophobicContact CB-CD 3.92Å; D168-K170 HydrophobicContact CB-CG 3.99Å; D168-K170 WeakPolarHBondContact O-CG 3.44Å; D168-K170 PolarHBondContact O-N 3.23Å; D168-K170 IonicContact OD2-NZ 2.83Å; D168-K170 PolarHBondContact OD2-NZ 2.69Å
171V84.1Confident83.1Confident5 Ų560 Ų603%0.0333%0.329CS..  trans-88.9129.2168.9-176.70000107.6I159 Y163 N166 R169 V173 V224 D242I159-V171 HydrophobicContact CG2-CG1 4.3Å; Y163-V171 HydrophobicContact CD2-CB 4.19Å; Y163-V171 HydrophobicContact CD2-CG2 4.37Å; N166-V171 WeakPolarHBondContact ND2-CG2 3.5Å; R169-V171 VanDerWaalsContact C-N 3.27Å; R169-V171 PolarHBondContact O-N 3.29Å; V171-V173 HydrophobicContact CG1-CG2 3.98Å; V171-V224 WeakPolarHBondContact O-CG1 3.46Å; V171-D242 WeakPolarHBondContact CA-OD2 3.44Å; V171-D242 HydrophobicContact CG1-CB 4.43Å
172K90.2Very high83.3Confident38 Ų3855.1 Ų55.117%0.16531%0.31CS..  trans-116.8128.6174.4-70.7-169-179.2-164.20110.6F218 K219 V224 V241 D242 H243K172-F218 HydrophobicContact CB-CE2 4.44Å; K172-F218 HydrophobicContact CB-CZ 3.87Å; K172-F218 HydrophobicContact CD-CE1 4.25Å; K172-F218 HydrophobicContact CD-CZ 4.27Å; K172-F218 WeakPolarHBondContact CE-O 3.4Å; K172-F218 HydrophobicContact CG-CZ 4.26Å; K172-F218 PolarHBondContact NZ-O 3.34Å; K172-K219 PolarHBondContact NZ-O 3.5Å; K172-V224 WeakPolarHBondContact CA-O 3.35Å; K172-V241 HydrophobicContact CB-CB 4.1Å; K172-V241 HydrophobicContact CB-CG1 4.03Å; K172-D242 PolarHBondContact N-OD2 3.12Å; K172-D242 PolarHBondContact O-N 3.12Å; K172-H243 PolarHBondContact O-N 3.16Å; K172-H243 VanDerWaalsContact O-N 3.13Å
173V93.1Very high83.8Confident0 Ų051.4 Ų51.40%029%0.291CS..EExtended strand (participates in β ladder)trans-127.8130.8-176.3-171.20000109.9F156 I159 V171 V175 V224 V225 L226 H243 I245F156-V173 HydrophobicContact CE1-CG1 4.33Å; F156-V173 HydrophobicContact CZ-CG1 4.17Å; I159-V173 HydrophobicContact CD1-CG1 4.22Å; I159-V173 HydrophobicContact CD1-CG2 4.23Å; I159-V173 HydrophobicContact CG2-CG2 3.88Å; V171-V173 HydrophobicContact CG1-CG2 3.98Å; V173-V175 HydrophobicContact CG1-CG2 4.28Å; V173-V224 PolarHBondContact N-O 2.89Å; V173-V225 HydrophobicContact CB-CG2 4.28Å; V173-V225 CarbonylContact O-C 3.56Å; V173-V225 WeakPolarHBondContact O-CA 3.38Å; V173-L226 PolarHBondContact O-N 3.3Å; V173-H243 CarbonylContact C-O 3.38Å; V173-H243 VanDerWaalsContact CA-O 3.25Å; V173-H243 WeakPolarHBondContact CA-O 3.43Å; V173-H243 HydrophobicContact CB-CB 4.46Å; V173-H243 HydrophobicContact CG1-CB 4.03Å; V173-H243 HydrophobicContact CG2-CB 4.16Å; V173-I245 HydrophobicContact CG1-CD1 3.8Å; V173-I245 HydrophobicContact CG1-CG1 4.32Å
174I93.5Very high84.3Confident0 Ų054.4 Ų54.40%031%0.308CS..EExtended strand (participates in β ladder)trans-103.9135.1164.9-62.4172.6000108.4F218 L226 M228 F239 V241 H243 L244 I245 L259 T262I174-F218 HydrophobicContact CG1-CZ 4.33Å; I174-L226 CarbonylContact C-O 3.52Å; I174-L226 VanDerWaalsContact CA-O 3.3Å; I174-L226 WeakPolarHBondContact CA-O 3.47Å; I174-L226 HydrophobicContact CG1-CB 4.46Å; I174-M228 HydrophobicContact CG2-CG 4.39Å; I174-M228 HydrophobicContact CG2-SD 4.08Å; I174-F239 HydrophobicContact CD1-CE2 3.89Å; I174-V241 HydrophobicContact CD1-CG1 3.82Å; I174-V241 HydrophobicContact CD1-CG2 4.01Å; I174-V241 HydrophobicContact CG1-CB 4.46Å; I174-V241 HydrophobicContact CG1-CG1 3.87Å; I174-V241 HydrophobicContact CG1-CG2 4.21Å; I174-H243 PolarHBondContact N-O 2.84Å; I174-L244 HydrophobicContact CB-CD1 3.72Å; I174-L244 HydrophobicContact CG2-CD1 3.66Å; I174-I245 PolarHBondContact O-N 2.77Å; I174-L259 HydrophobicContact CG2-CD2 4.38Å; I174-T262 HydrophobicContact CD1-CG2 4.34Å; I174-T262 WeakPolarHBondContact CD1-OG1 3.34Å
175V95Very high84.9Confident0 Ų054.6 Ų54.60%030%0.301CS..EExtended strand (participates in β ladder)trans-118.1118169.6-171.60000108.5M152 F156 V173 L177 V225 L226 M227 M228 I245 H247M152-V175 HydrophobicContact CE-CG1 3.59Å; M152-V175 HydrophobicContact CE-CG2 4.5Å; F156-V175 HydrophobicContact CE2-CG2 3.93Å; F156-V175 HydrophobicContact CZ-CG2 3.49Å; F156-V175 VanDerWaalsContact CZ-CG2 3.49Å; V173-V175 HydrophobicContact CG1-CG2 4.28Å; V175-L177 HydrophobicContact CB-CD1 4.33Å; V175-L177 HydrophobicContact CG1-CD1 3.77Å; V175-L177 HydrophobicContact CG1-CG 4.23Å; V175-V225 HydrophobicContact CG2-CG1 3.94Å; V175-L226 PolarHBondContact N-O 2.95Å; V175-M227 HydrophobicContact CB-CG 4.39Å; V175-M227 CarbonylContact O-C 3.38Å; V175-M227 WeakPolarHBondContact O-CA 3.36Å; V175-M228 PolarHBondContact O-N 3.13Å; V175-I245 CarbonylContact C-O 3.48Å; V175-I245 WeakPolarHBondContact CA-O 3.43Å; V175-I245 HydrophobicContact CG2-CB 4.47Å; V175-I245 HydrophobicContact CG2-CD1 4.37Å; V175-H247 HydrophobicContact CG1-CB 4.4Å
176F95.5Very high85.5Confident0 Ų051.1 Ų51.10%027%0.272CS..EExtended strand (participates in β ladder)trans-97.6133.5173-179.3-82.7000110.6M228 E230 I245 F246 H247 D248 P250 V255 L259F176-M228 CarbonylContact C-O 3.58Å; F176-M228 WeakPolarHBondContact CA-O 3.08Å; F176-M228 HydrophobicContact CD2-CB 4.4Å; F176-E230 HydrophobicContact CZ-CB 3.94Å; F176-E230 WeakPolarHBondContact CZ-OE2 3.35Å; F176-I245 PolarHBondContact N-O 3.44Å; F176-F246 HydrophobicContact CB-CD1 3.72Å; F176-F246 HydrophobicContact CB-CE1 4.08Å; F176-F246 AromaticContact CD1-CD1 3.99Å; F176-F246 HydrophobicContact CD1-CD1 3.99Å; F176-F246 HydrophobicContact CG-CD1 4Å; F176-F246 HydrophobicContact CG-CE1 4.24Å; F176-H247 WeakPolarHBondContact O-CB 3.36Å; F176-H247 PolarHBondContact O-N 3.27Å; F176-D248 WeakPolarHBondContact CD1-O 3.27Å; F176-D248 PolarHBondContact O-N 3.46Å; F176-P250 HydrophobicContact CD1-CG 3.84Å; F176-P250 HydrophobicContact CD2-CG 4.27Å; F176-P250 HydrophobicContact CE1-CB 3.97Å; F176-P250 HydrophobicContact CE1-CG 3.5Å; F176-P250 VanDerWaalsContact CE1-CG 3.5Å; F176-P250 HydrophobicContact CE2-CB 4.39Å; F176-P250 HydrophobicContact CE2-CG 3.95Å; F176-P250 HydrophobicContact CG-CG 4.2Å; F176-P250 HydrophobicContact CZ-CB 3.74Å; F176-P250 HydrophobicContact CZ-CG 3.54Å; F176-V255 HydrophobicContact CE2-CG1 4.04Å; F176-L259 HydrophobicContact CB-CD1 4.13Å; F176-L259 HydrophobicContact CD2-CD1 3.48Å; F176-L259 VanDerWaalsContact CD2-CD1 3.48Å; F176-L259 HydrophobicContact CE2-CD1 4.19Å; F176-L259 HydrophobicContact CG-CD1 4Å
177L94.1Very high86.5Confident0 Ų050.3 Ų50.30%026%0.263CS..EExtended strand (participates in β ladder)trans-130.3160.4176.3-53.9100.3000109.7V175 A182 I186 M227 M228 C229 E230 H247V175-L177 HydrophobicContact CB-CD1 4.33Å; V175-L177 HydrophobicContact CG1-CD1 3.77Å; V175-L177 HydrophobicContact CG1-CG 4.23Å; L177-A182 HydrophobicContact CB-CB 4.13Å; L177-A182 HydrophobicContact CD2-CB 3.97Å; L177-I186 HydrophobicContact CD2-CB 3.87Å; L177-I186 HydrophobicContact CD2-CG1 3.59Å; L177-I186 HydrophobicContact CD2-CG2 4.38Å; L177-M227 HydrophobicContact CD1-CB 4.35Å; L177-M227 HydrophobicContact CD1-CE 3.52Å; L177-M227 HydrophobicContact CD2-CE 4.25Å; L177-M228 PolarHBondContact N-O 3.3Å; L177-C229 CarbonylContact O-C 3.5Å; L177-C229 WeakPolarHBondContact O-CA 3.48Å; L177-E230 PolarHBondContact O-N 2.81Å; L177-H247 HydrophobicContact CD2-CB 4.19Å; L177-H247 HydrophobicContact CG-CB 4.06Å
178D90.7Very high87.9Confident76 Ų7648.4 Ų48.441%0.40625%0.248SC..SBendtrans-79.3-19-177.567.62.2000113.9E230 D248D178-E230 WeakPolarHBondContact O-CB 3.43Å; D178-D248 HydrophobicContact CB-CB 3.85Å; D178-D248 PolarHBondContact N-OD2 3.29Å
179S89.5Confident89Confident41 Ų4144.8 Ų44.829%0.28723%0.228SC..  trans-149156.6-169.361.30000113.5A181 A182 T183S179-A181 VanDerWaalsContact C-N 3.25Å; S179-A181 PolarHBondContact O-N 2.86Å; S179-A182 PolarHBondContact O-N 3.12Å; S179-A182 VanDerWaalsContact OG-CB 3.27Å; S179-A182 WeakPolarHBondContact OG-CB 3.21Å; S179-A182 PolarHBondContact OG-N 3.28Å; S179-A182 VanDerWaalsContact OG-N 3.15Å; S179-T183 PolarHBondContact O-N 3.17Å; S179-T183 PolarHBondContact O-OG1 3.06Å
180I88Confident90.1Very high38 Ų3838.1 Ų38.120%0.19520%0.203CC..Hα-helixtrans-63.9-35.7173-59.2174.5000110.1T183 N184 D203 E205 C229I180-T183 WeakPolarHBondContact O-CB 3.01Å; I180-T183 PolarHBondContact O-N 2.8Å; I180-N184 VanDerWaalsContact O-CG 3.3Å; I180-N184 PolarHBondContact O-N 2.83Å; I180-N184 PolarHBondContact O-ND2 2.85Å; I180-D203 HydrophobicContact CD1-CB 4.02Å; I180-D203 HydrophobicContact CG1-CB 3.97Å; I180-E205 HydrophobicContact CD1-CB 4.49Å; I180-E205 HydrophobicContact CD1-CG 3.7Å; I180-C229 HydrophobicContact CG1-CB 4.49Å
181A89.9Confident90.9Very high58 Ų5834.9 Ų34.948%0.47919%0.192SC..Hα-helixtrans-59.8-52.1174.900000111.5S179 T183 N184 E185S179-A181 VanDerWaalsContact C-N 3.25Å; S179-A181 PolarHBondContact O-N 2.86Å; A181-T183 VanDerWaalsContact C-N 3.26Å; A181-T183 PolarHBondContact O-N 2.94Å; A181-N184 WeakPolarHBondContact O-CB 3.44Å; A181-N184 PolarHBondContact O-N 3.21Å; A181-N184 VanDerWaalsContact O-N 3.09Å; A181-E185 WeakPolarHBondContact O-CG 3.48Å; A181-E185 PolarHBondContact O-N 3.13Å
182A90Very high91Very high12 Ų1238 Ų3810%0.09921%0.214CC..Hα-helixtrans-59.1-39.2175.500000111.9L177 S179 N184 E185 I186L177-A182 HydrophobicContact CB-CB 4.13Å; L177-A182 HydrophobicContact CD2-CB 3.97Å; S179-A182 PolarHBondContact O-N 3.12Å; S179-A182 VanDerWaalsContact OG-CB 3.27Å; S179-A182 WeakPolarHBondContact OG-CB 3.21Å; S179-A182 PolarHBondContact OG-N 3.28Å; S179-A182 VanDerWaalsContact OG-N 3.15Å; A182-N184 VanDerWaalsContact C-N 3.32Å; A182-N184 PolarHBondContact O-N 2.96Å; A182-E185 PolarHBondContact O-N 3.4Å; A182-I186 PolarHBondContact O-N 2.6Å
183T90.2Very high90.8Very high5 Ų538.9 Ų38.93%0.03122%0.218CC..Hα-helixtrans-58.3-44.9175.2-59.80000111.4S179 I180 A181 E185 R187 M227S179-T183 PolarHBondContact O-N 3.17Å; S179-T183 PolarHBondContact O-OG1 3.06Å; I180-T183 WeakPolarHBondContact O-CB 3.01Å; I180-T183 PolarHBondContact O-N 2.8Å; A181-T183 VanDerWaalsContact C-N 3.26Å; A181-T183 PolarHBondContact O-N 2.94Å; T183-E185 VanDerWaalsContact C-N 3.35Å; T183-E185 PolarHBondContact O-N 3.09Å; T183-R187 WeakPolarHBondContact O-CB 3.49Å; T183-R187 PolarHBondContact O-N 2.94Å; T183-M227 HydrophobicContact CG2-CB 3.91Å; T183-M227 HydrophobicContact CG2-CE 3.84Å; T183-M227 HydrophobicContact CG2-SD 4.06Å; T183-M227 VanDerWaalsContact O-CE 3.31Å; T183-M227 WeakPolarHBondContact O-CE 3.36Å
184N90.6Very high90.2Very high82 Ų8239.1 Ų39.144%0.43922%0.22SC..Hα-helixtrans-67.1-34177.9-69.2-27.2000112.8I180 A181 A182 R187 P188I180-N184 VanDerWaalsContact O-CG 3.3Å; I180-N184 PolarHBondContact O-N 2.83Å; I180-N184 PolarHBondContact O-ND2 2.85Å; A181-N184 WeakPolarHBondContact O-CB 3.44Å; A181-N184 PolarHBondContact O-N 3.21Å; A181-N184 VanDerWaalsContact O-N 3.09Å; A182-N184 VanDerWaalsContact C-N 3.32Å; A182-N184 PolarHBondContact O-N 2.96Å; N184-R187 PolarHBondContact OD1-NH1 3.35Å; N184-P188 WeakPolarHBondContact O-CD 3.11Å
185E91.4Very high89.4Confident121 Ų12144.3 Ų44.357%0.56525%0.253SS*.Hα-helixtrans-71.5-40177.1-70.8-178.9-174.600113.1A181 A182 T183 P188A181-E185 WeakPolarHBondContact O-CG 3.48Å; A181-E185 PolarHBondContact O-N 3.13Å; A182-E185 PolarHBondContact O-N 3.4Å; T183-E185 VanDerWaalsContact C-N 3.35Å; T183-E185 PolarHBondContact O-N 3.09Å; E185-P188 VanDerWaalsContact O-CD 3.3Å; E185-P188 WeakPolarHBondContact O-CD 3.23Å; E185-P188 VanDerWaalsContact O-CG 3.29Å; E185-P188 WeakPolarHBondContact O-CG 3.33Å
186I90.9Very high88.4Confident1 Ų148.3 Ų48.31%0.00528%0.281CS..Hα-helixtrans-79.6-28.5-179.6-69.5-58.1000112.4N149 M152 L177 A182 I189 V190 M227N149-I186 HydrophobicContact CB-CD1 4.16Å; N149-I186 VanDerWaalsContact OD1-CD1 3.27Å; N149-I186 WeakPolarHBondContact OD1-CD1 3.37Å; M152-I186 HydrophobicContact CE-CG2 3.89Å; M152-I186 HydrophobicContact CG-CD1 4.29Å; L177-I186 HydrophobicContact CD2-CB 3.87Å; L177-I186 HydrophobicContact CD2-CG1 3.59Å; L177-I186 HydrophobicContact CD2-CG2 4.38Å; A182-I186 PolarHBondContact O-N 2.6Å; I186-I189 HydrophobicContact CD1-CD1 3.86Å; I186-I189 WeakPolarHBondContact O-CA 3.49Å; I186-I189 WeakPolarHBondContact O-CB 3.42Å; I186-I189 PolarHBondContact O-N 3.01Å; I186-V190 HydrophobicContact CG2-CG2 3.72Å; I186-V190 PolarHBondContact O-N 2.98Å; I186-M227 HydrophobicContact CB-CE 3.79Å; I186-M227 HydrophobicContact CG2-CE 3.64Å
187R91.9Very high87.5Confident64 Ų6448.8 Ų48.824%0.24229%0.285CS..Hα-helixtrans-47.7-50.8179.5-171.5177.8-65111.3-6.4114.2T183 N184 I189 V190 M191 L199 S201 M227T183-R187 WeakPolarHBondContact O-CB 3.49Å; T183-R187 PolarHBondContact O-N 2.94Å; N184-R187 PolarHBondContact OD1-NH1 3.35Å; R187-I189 VanDerWaalsContact C-N 3.31Å; R187-I189 PolarHBondContact O-N 3.17Å; R187-V190 PolarHBondContact O-N 3.26Å; R187-M191 HydrophobicContact CG-CG 4.42Å; R187-M191 WeakPolarHBondContact O-CG 3.24Å; R187-M191 PolarHBondContact O-N 3.23Å; R187-L199 HydrophobicContact CG-CD2 3.81Å; R187-S201 VanDerWaalsContact NH2-CB 3.31Å; R187-S201 PolarHBondContact NH2-OG 3.49Å; R187-M227 HydrophobicContact CB-SD 4.16Å
188P91.2Very high87Confident80 Ų8053.9 Ų53.952%0.51931%0.309SS..Hα-helixtrans-63.8-33.9178.224.6-35.2000113.1N184 E185 S192N184-P188 WeakPolarHBondContact O-CD 3.11Å; E185-P188 VanDerWaalsContact O-CD 3.3Å; E185-P188 WeakPolarHBondContact O-CD 3.23Å; E185-P188 VanDerWaalsContact O-CG 3.29Å; E185-P188 WeakPolarHBondContact O-CG 3.33Å; P188-S192 WeakPolarHBondContact O-CB 3.16Å; P188-S192 PolarHBondContact O-N 2.63Å
189I89.8Confident87Confident32 Ų3251.3 Ų51.316%0.16430%0.295CS..Hα-helixtrans-61.5-50.1175.5-68.3167.8000109.5N149 I153 I186 R187 M191 S192 Q193N149-I189 HydrophobicContact CB-CD1 4.09Å; I153-I189 HydrophobicContact CG1-CG2 3.58Å; I186-I189 HydrophobicContact CD1-CD1 3.86Å; I186-I189 WeakPolarHBondContact O-CA 3.49Å; I186-I189 WeakPolarHBondContact O-CB 3.42Å; I186-I189 PolarHBondContact O-N 3.01Å; R187-I189 VanDerWaalsContact C-N 3.31Å; R187-I189 PolarHBondContact O-N 3.17Å; I189-M191 PolarHBondContact O-N 3.41Å; I189-S192 PolarHBondContact O-N 3.3Å; I189-S192 PolarHBondContact O-OG 2.73Å; I189-Q193 WeakPolarHBondContact O-CG 3.37Å; I189-Q193 PolarHBondContact O-N 3.08Å
190V90Very high87Confident2 Ų249.9 Ų49.91%0.01228%0.284CS..Hα-helixtrans-63-46.5-179.7-178.90000111.6F156 I186 R187 S192 Q193 L194 L199 V225F156-V190 HydrophobicContact CD1-CG1 3.87Å; F156-V190 HydrophobicContact CD2-CG2 3.96Å; F156-V190 HydrophobicContact CE1-CB 4.5Å; F156-V190 HydrophobicContact CE1-CG1 3.58Å; F156-V190 HydrophobicContact CE1-CG2 4.23Å; F156-V190 HydrophobicContact CE2-CG1 4.5Å; F156-V190 HydrophobicContact CE2-CG2 3.65Å; F156-V190 HydrophobicContact CG-CG1 4.45Å; F156-V190 HydrophobicContact CG-CG2 4.38Å; F156-V190 HydrophobicContact CZ-CG1 3.92Å; F156-V190 HydrophobicContact CZ-CG2 3.8Å; I186-V190 HydrophobicContact CG2-CG2 3.72Å; I186-V190 PolarHBondContact O-N 2.98Å; R187-V190 PolarHBondContact O-N 3.26Å; V190-S192 PolarHBondContact O-N 3.32Å; V190-Q193 PolarHBondContact O-N 2.86Å; V190-Q193 VanDerWaalsContact O-N 3.13Å; V190-L194 HydrophobicContact CG1-CD1 4.3Å; V190-L194 PolarHBondContact O-N 2.88Å; V190-L199 HydrophobicContact CB-CD1 3.82Å; V190-L199 HydrophobicContact CG1-CD1 3.52Å; V190-L199 HydrophobicContact CG2-CD1 4.44Å; V190-V225 HydrophobicContact CG1-CB 4.42Å; V190-V225 HydrophobicContact CG1-CG1 4.23Å; V190-V225 HydrophobicContact CG1-CG2 4.01Å
191M88.8Confident87.1Confident78 Ų7848.7 Ų48.738%0.38428%0.279SS..Hα-helixtrans-61.1-33.6178.4-71.6-65.5-160.100112.5R187 I189 L194 P195 L199R187-M191 HydrophobicContact CG-CG 4.42Å; R187-M191 WeakPolarHBondContact O-CG 3.24Å; R187-M191 PolarHBondContact O-N 3.23Å; I189-M191 PolarHBondContact O-N 3.41Å; M191-L194 CarbonylContact O-C 3.55Å; M191-P195 WeakPolarHBondContact O-CA 3.44Å; M191-L199 HydrophobicContact CE-CB 3.66Å; M191-L199 HydrophobicContact CE-CD2 4.27Å; M191-L199 HydrophobicContact CE-CG 4.49Å; M191-L199 HydrophobicContact SD-CB 4.13Å
192S87.8Confident87Confident71 Ų7146 Ų4650%0.49726%0.257SS..Hα-helixtrans-67.8-34176.877.50000113.2P188 I189 V190P188-S192 WeakPolarHBondContact O-CB 3.16Å; P188-S192 PolarHBondContact O-N 2.63Å; I189-S192 PolarHBondContact O-N 3.3Å; I189-S192 PolarHBondContact O-OG 2.73Å; V190-S192 PolarHBondContact O-N 3.32Å
193Q84.3Confident86.9Confident56 Ų5646.4 Ų46.426%0.26226%0.258SS..Hα-helixtrans-87.5-22.9-179.1-59.3-50.2-59.300112.6F156 I189 V190 P195F156-Q193 HydrophobicContact CB-CB 3.74Å; F156-Q193 HydrophobicContact CB-CG 3.9Å; I189-Q193 WeakPolarHBondContact O-CG 3.37Å; I189-Q193 PolarHBondContact O-N 3.08Å; V190-Q193 PolarHBondContact O-N 2.86Å; V190-Q193 VanDerWaalsContact O-N 3.13Å; Q193-P195 VanDerWaalsContact C-CD 3.43Å
194L82.2Confident86.2Confident5 Ų550.6 Ų50.63%0.02628%0.28CS..  trans-126.162178.9-69171.7000111.8F156 I159 Y163 V190 M191 S196 A197 V225F156-L194 HydrophobicContact CD1-CD1 3.68Å; F156-L194 HydrophobicContact CD1-CG 4.37Å; F156-L194 HydrophobicContact CE1-CD1 3.88Å; I159-L194 HydrophobicContact CG2-CD1 4.47Å; Y163-L194 HydrophobicContact CD1-CD2 4.09Å; Y163-L194 HydrophobicContact CG-CD2 4.16Å; V190-L194 HydrophobicContact CG1-CD1 4.3Å; V190-L194 PolarHBondContact O-N 2.88Å; M191-L194 CarbonylContact O-C 3.55Å; L194-S196 PolarHBondContact O-N 2.99Å; L194-S196 VanDerWaalsContact O-N 3.08Å; L194-A197 HydrophobicContact CB-CB 3.66Å; L194-A197 HydrophobicContact CD1-CB 4.41Å; L194-A197 HydrophobicContact CG-CB 4.47Å; L194-A197 WeakPolarHBondContact O-CB 3.46Å; L194-A197 PolarHBondContact O-N 3.47Å; L194-V225 HydrophobicContact CD1-CG2 3.67Å
195P75.3Confident85.9Confident109 Ų10954.3 Ų54.371%0.70830%0.295SS*.THydrogen-bonded Turntrans-64.6-20-172.225-35.2000114.5M191 Q193M191-P195 WeakPolarHBondContact O-CA 3.44Å; Q193-P195 VanDerWaalsContact C-CD 3.43Å
196S74.9Confident85.4Confident83 Ų8350.1 Ų50.158%0.5828%0.275SS*.THydrogen-bonded Turntrans-99.42.7176.3-59.80000113.7Y163 L194Y163-S196 PolarHBondContact OH-O 3.42Å; L194-S196 PolarHBondContact O-N 2.99Å; L194-S196 VanDerWaalsContact O-N 3.08Å
197A75.3Confident85Confident10 Ų1053.6 Ų53.68%0.08330%0.296CS..SBendtrans-97.2143.8177.400000110.1Y163 L194 V224Y163-A197 HydrophobicContact CE1-CB 4.48Å; L194-A197 HydrophobicContact CB-CB 3.66Å; L194-A197 HydrophobicContact CD1-CB 4.41Å; L194-A197 HydrophobicContact CG-CB 4.47Å; L194-A197 WeakPolarHBondContact O-CB 3.46Å; L194-A197 PolarHBondContact O-N 3.47Å; A197-V224 HydrophobicContact CB-CB 3.78Å; A197-V224 HydrophobicContact CB-CG1 4.22Å; A197-V224 HydrophobicContact CB-CG2 3.62Å
198Q84.8Confident84.2Confident108 Ų10855.7 Ų55.751%0.50531%0.312SS..  trans-87.6144.4164.2-59.8-1780.500109.6Q222 S223 V224 V225Q198-Q222 WeakPolarHBondContact CB-O 3.42Å; Q198-Q222 PolarHBondContact OE1-O 2.76Å; Q198-S223 WeakPolarHBondContact O-CA 3.44Å; Q198-V224 PolarHBondContact O-N 3.48Å; Q198-V225 PolarHBondContact O-N 3.37Å
199L89.6Confident83.7Confident21 Ų2157 Ų5711%0.1132%0.319CS..EExtended strand (participates in β ladder)trans-126.1135.3177.4171.3152.8000108.8R187 V190 M191 V225 M227R187-L199 HydrophobicContact CG-CD2 3.81Å; V190-L199 HydrophobicContact CB-CD1 3.82Å; V190-L199 HydrophobicContact CG1-CD1 3.52Å; V190-L199 HydrophobicContact CG2-CD1 4.44Å; M191-L199 HydrophobicContact CE-CB 3.66Å; M191-L199 HydrophobicContact CE-CD2 4.27Å; M191-L199 HydrophobicContact CE-CG 4.49Å; M191-L199 HydrophobicContact SD-CB 4.13Å; L199-V225 WeakPolarHBondContact CA-O 3.25Å; L199-V225 HydrophobicContact CB-CB 4.23Å; L199-V225 HydrophobicContact CD1-CB 3.93Å; L199-V225 HydrophobicContact CD1-CG1 3.83Å; L199-V225 HydrophobicContact CG-CB 4.13Å; L199-V225 HydrophobicContact CG-CG1 4.31Å; L199-M227 HydrophobicContact CD1-CG 3.95Å; L199-M227 HydrophobicContact CD1-SD 3.7Å; L199-M227 HydrophobicContact CD2-CG 4.25Å; L199-M227 HydrophobicContact CD2-SD 3.86Å; L199-M227 HydrophobicContact CG-CG 4.2Å; L199-M227 HydrophobicContact CG-SD 4.21Å
200V90.9Very high83.5Confident11 Ų1160.4 Ų60.47%0.06733%0.334CS..EExtended strand (participates in β ladder)trans-119.6156.7174.2-71.70000109.2E214 F218 S223 V225 L226 M227V200-E214 HydrophobicContact CB-CB 4.06Å; V200-E214 HydrophobicContact CB-CG 4.22Å; V200-E214 HydrophobicContact CG1-CB 4.27Å; V200-E214 HydrophobicContact CG1-CG 4.21Å; V200-F218 HydrophobicContact CG2-CB 4.13Å; V200-S223 WeakPolarHBondContact CG1-OG 3.35Å; V200-V225 PolarHBondContact N-O 2.89Å; V200-L226 HydrophobicContact CG2-CB 4.38Å; V200-L226 HydrophobicContact CG2-CD1 3.73Å; V200-L226 WeakPolarHBondContact O-CA 3.04Å; V200-M227 PolarHBondContact O-N 2.92Å
201S89.9Confident83.1Confident13 Ų1360.8 Ų60.89%0.09134%0.335CS..EExtended strand (participates in β ladder)trans-138.8117.4-176.254.60000110.6R187 Q206 E214 M227R187-S201 VanDerWaalsContact NH2-CB 3.31Å; R187-S201 PolarHBondContact NH2-OG 3.49Å; S201-Q206 PolarHBondContact O-NE2 3Å; S201-E214 PolarHBondContact N-OE2 2.78Å; S201-M227 CarbonylContact C-O 3.46Å; S201-M227 WeakPolarHBondContact CA-O 3.49Å
202V88.1Confident82.7Confident2 Ų261.7 Ų61.71%0.01234%0.339CS..EExtended strand (participates in β ladder)trans-100.8121.2-175.5168.40000110.6Q206 R211 E214 I215 L226 M227 S232 F237V202-Q206 VanDerWaalsContact CA-OE1 3.27Å; V202-R211 HydrophobicContact CG1-CG 3.81Å; V202-E214 HydrophobicContact CG2-CB 4.09Å; V202-E214 WeakPolarHBondContact CG2-OE2 3.37Å; V202-I215 HydrophobicContact CG2-CG1 4Å; V202-L226 HydrophobicContact CB-CD1 4.08Å; V202-L226 HydrophobicContact CG2-CD1 3.55Å; V202-M227 PolarHBondContact N-O 3.3Å; V202-S232 PolarHBondContact O-OG 3.2Å; V202-F237 HydrophobicContact CG1-CZ 4.13Å
203D86Confident82.6Confident21 Ų2161 Ų6111%0.11233%0.334CS..  trans-137.5176.9179.866.762.6000112.2I180 E205 Q206 R211 C229 S232I180-D203 HydrophobicContact CD1-CB 4.02Å; I180-D203 HydrophobicContact CG1-CB 3.97Å; D203-E205 WeakPolarHBondContact OD1-CA 3.44Å; D203-E205 WeakPolarHBondContact OD1-CB 3.31Å; D203-E205 PolarHBondContact OD1-N 3.44Å; D203-Q206 PolarHBondContact O-OE1 3.5Å; D203-Q206 WeakPolarHBondContact OD1-CG 3.41Å; D203-Q206 PolarHBondContact OD1-N 3.39Å; D203-Q206 VanDerWaalsContact OD1-N 3.1Å; D203-R211 PolarHBondContact O-NH1 2.98Å; D203-C229 WeakPolarHBondContact CB-SG 3.46Å; D203-S232 WeakPolarHBondContact CA-OG 3.09Å; D203-S232 PolarHBondContact N-OG 2.98Å
204D77.4Confident82.8Confident92 Ų9260.2 Ų60.249%0.49233%0.33SS..SBendtrans-86.9-12.8-179.1-88.13.7000113.8Q206 T231 S232D204-Q206 VanDerWaalsContact C-N 3.25Å; D204-T231 VanDerWaalsContact OD2-C 3.24Å; D204-T231 WeakPolarHBondContact OD2-CB 3.39Å; D204-S232 WeakPolarHBondContact OD1-CA 3.47Å
205E83.9Confident83Confident161 Ų16160.5 Ų60.575%0.75233%0.332SS*.SBendtrans-76.9-20.1173.5-64-172.5174.900111.1I180 D203I180-E205 HydrophobicContact CD1-CB 4.49Å; I180-E205 HydrophobicContact CD1-CG 3.7Å; D203-E205 WeakPolarHBondContact OD1-CA 3.44Å; D203-E205 WeakPolarHBondContact OD1-CB 3.31Å; D203-E205 PolarHBondContact OD1-N 3.44Å
206Q81.3Confident83.5Confident33 Ų3358.3 Ų58.315%0.15431%0.312CS..SBendtrans-67.3144174.1-68.6177-35.800113.2S201 V202 D203 D204 E210 R211 E214S201-Q206 PolarHBondContact O-NE2 3Å; V202-Q206 VanDerWaalsContact CA-OE1 3.27Å; D203-Q206 PolarHBondContact O-OE1 3.5Å; D203-Q206 WeakPolarHBondContact OD1-CG 3.41Å; D203-Q206 PolarHBondContact OD1-N 3.39Å; D203-Q206 VanDerWaalsContact OD1-N 3.1Å; D204-Q206 VanDerWaalsContact C-N 3.25Å; Q206-E210 HydrophobicContact CB-CB 4.33Å; Q206-R211 HydrophobicContact CB-CB 4.45Å; Q206-E214 PolarHBondContact NE2-OE1 3.07Å; Q206-E214 PolarHBondContact NE2-OE2 3.07Å
207T81.6Confident84Confident73 Ų7357 Ų5745%0.44830%0.297SS..  trans-66.9151166.865.80000110.5T209 E210 R211T207-T209 PolarHBondContact O-N 3.31Å; T207-E210 WeakPolarHBondContact CB-OE2 3.42Å; T207-E210 WeakPolarHBondContact CG2-OE2 3.32Å; T207-E210 PolarHBondContact N-OE2 2.84Å; T207-E210 PolarHBondContact O-N 3.41Å; T207-E210 VanDerWaalsContact OG1-CG 3.27Å; T207-E210 WeakPolarHBondContact OG1-CG 3.3Å; T207-E210 PolarHBondContact OG1-N 2.82Å; T207-E210 PolarHBondContact OG1-OE2 3.21Å; T207-R211 PolarHBondContact O-N 3.27Å
208N75.9Confident84.6Confident109 Ų10956.6 Ų56.658%0.58329%0.293SS*.Hα-helixtrans-51.8-32.4175.4-73.1-60.9000113.1Q212N208-Q212 VanDerWaalsContact O-CB 3.28Å; N208-Q212 WeakPolarHBondContact O-CB 3.36Å; N208-Q212 PolarHBondContact O-N 3.09Å
209T80.6Confident84.6Confident108 Ų10854.3 Ų54.366%0.66328%0.282SS*.Hα-helixtrans-72.1-42.6178.3-46.80000112T207 Q212 S213T207-T209 PolarHBondContact O-N 3.31Å; T209-Q212 PolarHBondContact O-N 2.93Å; T209-S213 WeakPolarHBondContact O-CB 3.31Å; T209-S213 PolarHBondContact O-N 3.02Å
210E84.7Confident84.3Confident102 Ų10259.4 Ų59.448%0.47731%0.305SS..Hα-helixtrans-64.9-49.8176.2-73.8159.516000110.4Q206 T207 Q212 S213 E214Q206-E210 HydrophobicContact CB-CB 4.33Å; T207-E210 WeakPolarHBondContact CB-OE2 3.42Å; T207-E210 WeakPolarHBondContact CG2-OE2 3.32Å; T207-E210 PolarHBondContact N-OE2 2.84Å; T207-E210 PolarHBondContact O-N 3.41Å; T207-E210 VanDerWaalsContact OG1-CG 3.27Å; T207-E210 WeakPolarHBondContact OG1-CG 3.3Å; T207-E210 PolarHBondContact OG1-N 2.82Å; T207-E210 PolarHBondContact OG1-OE2 3.21Å; E210-Q212 VanDerWaalsContact C-N 3.29Å; E210-Q212 PolarHBondContact O-N 3.49Å; E210-S213 WeakPolarHBondContact O-CB 3.32Å; E210-S213 PolarHBondContact O-N 3.27Å; E210-E214 PolarHBondContact O-N 3.32Å
211R82.2Confident83.7Confident10 Ų1061 Ų614%0.03832%0.324CS..Hα-helixtrans-51.1-49174.3179.7179.1-171.291.813.3111.7V202 D203 Q206 T207 E214 I215 S232 N233V202-R211 HydrophobicContact CG1-CG 3.81Å; D203-R211 PolarHBondContact O-NH1 2.98Å; Q206-R211 HydrophobicContact CB-CB 4.45Å; T207-R211 PolarHBondContact O-N 3.27Å; R211-E214 PolarHBondContact O-N 3.4Å; R211-I215 HydrophobicContact CG-CD1 3.9Å; R211-I215 VanDerWaalsContact O-CG1 3.29Å; R211-I215 WeakPolarHBondContact O-CG1 3.3Å; R211-I215 PolarHBondContact O-N 3.35Å; R211-S232 PolarHBondContact NH1-OG 3.03Å; R211-N233 PolarHBondContact NH2-O 3.42Å
212Q81Confident83.2Confident97 Ų9765.1 Ų65.145%0.45334%0.342SS..Hα-helixtrans-64.9-42.8178.6-174175.311.800111.9N208 T209 E210 E214 I215 E216N208-Q212 VanDerWaalsContact O-CB 3.28Å; N208-Q212 WeakPolarHBondContact O-CB 3.36Å; N208-Q212 PolarHBondContact O-N 3.09Å; T209-Q212 PolarHBondContact O-N 2.93Å; E210-Q212 VanDerWaalsContact C-N 3.29Å; E210-Q212 PolarHBondContact O-N 3.49Å; Q212-E214 VanDerWaalsContact C-N 3.32Å; Q212-E214 PolarHBondContact O-N 3.46Å; Q212-I215 PolarHBondContact O-N 2.91Å; Q212-E216 HydrophobicContact CG-CG 4.29Å; Q212-E216 WeakPolarHBondContact O-CB 3.36Å; Q212-E216 VanDerWaalsContact O-CG 3.27Å; Q212-E216 WeakPolarHBondContact O-CG 3.3Å; Q212-E216 PolarHBondContact O-N 3.03Å
213S85.8Confident82.9Confident58 Ų5865 Ų6541%0.40634%0.341SS..Hα-helixtrans-57.7-45.6176.5170.60000111.3T209 E210 E216 Q217T209-S213 WeakPolarHBondContact O-CB 3.31Å; T209-S213 PolarHBondContact O-N 3.02Å; E210-S213 WeakPolarHBondContact O-CB 3.32Å; E210-S213 PolarHBondContact O-N 3.27Å; S213-E216 PolarHBondContact O-N 3.15Å; S213-Q217 VanDerWaalsContact O-CG 3.26Å; S213-Q217 WeakPolarHBondContact O-CG 3.4Å; S213-Q217 PolarHBondContact O-N 3.23Å; S213-Q217 PolarHBondContact OG-NE2 2.67Å
214E88Confident82.9Confident38 Ų3864.3 Ų64.318%0.17834%0.338CS..Hα-helixtrans-66.5-43.7178.9-70.9-169.916600113.2V200 S201 V202 Q206 E210 R211 Q212 E216 Q217 F218V200-E214 HydrophobicContact CB-CB 4.06Å; V200-E214 HydrophobicContact CB-CG 4.22Å; V200-E214 HydrophobicContact CG1-CB 4.27Å; V200-E214 HydrophobicContact CG1-CG 4.21Å; S201-E214 PolarHBondContact N-OE2 2.78Å; V202-E214 HydrophobicContact CG2-CB 4.09Å; V202-E214 WeakPolarHBondContact CG2-OE2 3.37Å; Q206-E214 PolarHBondContact NE2-OE1 3.07Å; Q206-E214 PolarHBondContact NE2-OE2 3.07Å; E210-E214 PolarHBondContact O-N 3.32Å; R211-E214 PolarHBondContact O-N 3.4Å; Q212-E214 VanDerWaalsContact C-N 3.32Å; Q212-E214 PolarHBondContact O-N 3.46Å; E214-E216 VanDerWaalsContact C-N 3.29Å; E214-E216 PolarHBondContact O-N 2.94Å; E214-Q217 PolarHBondContact O-N 3.49Å; E214-F218 PolarHBondContact O-N 3.49Å
215I85.5Confident83.6Confident11 Ų1160 Ų606%0.05632%0.315CS..Hα-helixtrans-60.4-42174.8-70169.4000110.3V202 R211 Q212 F218 K219 F237 F239V202-I215 HydrophobicContact CG2-CG1 4Å; R211-I215 HydrophobicContact CG-CD1 3.9Å; R211-I215 VanDerWaalsContact O-CG1 3.29Å; R211-I215 WeakPolarHBondContact O-CG1 3.3Å; R211-I215 PolarHBondContact O-N 3.35Å; Q212-I215 PolarHBondContact O-N 2.91Å; I215-F218 PolarHBondContact O-N 2.96Å; I215-K219 HydrophobicContact CG2-CD 4.1Å; I215-K219 HydrophobicContact CG2-CG 4.36Å; I215-K219 WeakPolarHBondContact O-CB 3.15Å; I215-K219 WeakPolarHBondContact O-CG 3.46Å; I215-K219 PolarHBondContact O-N 3.45Å; I215-F237 HydrophobicContact CD1-CD2 4.35Å; I215-F237 HydrophobicContact CD1-CE1 4.49Å; I215-F237 HydrophobicContact CD1-CE2 3.57Å; I215-F237 HydrophobicContact CD1-CZ 3.64Å; I215-F237 HydrophobicContact CG1-CE1 4.49Å; I215-F237 HydrophobicContact CG1-CE2 4.39Å; I215-F237 HydrophobicContact CG1-CZ 4.01Å; I215-F239 HydrophobicContact CG2-CE1 3.9Å
216E85.3Confident84Confident63 Ų6352.3 Ų52.329%0.29428%0.279SS..Hα-helixtrans-68.3-38.3177.6-70.8-55.4134.100112.4Q212 S213 E214 F218 K219 Q220Q212-E216 HydrophobicContact CG-CG 4.29Å; Q212-E216 WeakPolarHBondContact O-CB 3.36Å; Q212-E216 VanDerWaalsContact O-CG 3.27Å; Q212-E216 WeakPolarHBondContact O-CG 3.3Å; Q212-E216 PolarHBondContact O-N 3.03Å; S213-E216 PolarHBondContact O-N 3.15Å; E214-E216 VanDerWaalsContact C-N 3.29Å; E214-E216 PolarHBondContact O-N 2.94Å; E216-F218 VanDerWaalsContact C-N 3.31Å; E216-F218 PolarHBondContact O-N 3.32Å; E216-K219 PolarHBondContact O-N 2.99Å; E216-K219 WeakPolarHBondContact OE1-CD 3.19Å; E216-K219 IonicContact OE1-NZ 2.93Å; E216-K219 PolarHBondContact OE1-NZ 3.48Å; E216-Q220 WeakPolarHBondContact O-CB 3.4Å; E216-Q220 VanDerWaalsContact O-CG 3.23Å; E216-Q220 WeakPolarHBondContact O-CG 3.49Å; E216-Q220 PolarHBondContact O-N 3.33Å
217Q86.3Confident84.6Confident57 Ų5750.8 Ų50.827%0.26627%0.272SS..Hα-helixtrans-59.5-43172.1-72.817736.900111.3S213 E214 G221 Q222 S223S213-Q217 VanDerWaalsContact O-CG 3.26Å; S213-Q217 WeakPolarHBondContact O-CG 3.4Å; S213-Q217 PolarHBondContact O-N 3.23Å; S213-Q217 PolarHBondContact OG-NE2 2.67Å; E214-Q217 PolarHBondContact O-N 3.49Å; Q217-G221 PolarHBondContact O-N 2.93Å; Q217-Q222 HydrophobicContact CB-CB 4.39Å; Q217-Q222 WeakPolarHBondContact O-CB 3.49Å; Q217-Q222 PolarHBondContact O-N 3.32Å; Q217-S223 PolarHBondContact O-N 2.74Å
218F88.7Confident85Confident0 Ų047.3 Ų47.30%025%0.25CS..Hα-helixtrans-66.9-43.1175.2-174.8-101.8000112.7K172 I174 V200 E214 I215 E216 Q220 G221 S223 V224 L226 F239 V241K172-F218 HydrophobicContact CB-CE2 4.44Å; K172-F218 HydrophobicContact CB-CZ 3.87Å; K172-F218 HydrophobicContact CD-CE1 4.25Å; K172-F218 HydrophobicContact CD-CZ 4.27Å; K172-F218 WeakPolarHBondContact CE-O 3.4Å; K172-F218 HydrophobicContact CG-CZ 4.26Å; K172-F218 PolarHBondContact NZ-O 3.34Å; I174-F218 HydrophobicContact CG1-CZ 4.33Å; V200-F218 HydrophobicContact CG2-CB 4.13Å; E214-F218 PolarHBondContact O-N 3.49Å; I215-F218 PolarHBondContact O-N 2.96Å; E216-F218 VanDerWaalsContact C-N 3.31Å; E216-F218 PolarHBondContact O-N 3.32Å; F218-Q220 PolarHBondContact O-N 2.8Å; F218-G221 PolarHBondContact O-N 2.77Å; F218-G221 VanDerWaalsContact O-N 3.11Å; F218-S223 WeakPolarHBondContact CD2-O 3.25Å; F218-V224 WeakPolarHBondContact CE2-O 3.36Å; F218-L226 HydrophobicContact CD1-CB 4.18Å; F218-L226 HydrophobicContact CD1-CD2 3.86Å; F218-L226 HydrophobicContact CD2-CB 3.59Å; F218-L226 HydrophobicContact CE1-CB 4.2Å; F218-L226 HydrophobicContact CE1-CD2 4.18Å; F218-L226 HydrophobicContact CE2-CB 3.58Å; F218-L226 HydrophobicContact CG-CB 3.88Å; F218-L226 HydrophobicContact CG-CD2 4.11Å; F218-L226 HydrophobicContact CZ-CB 3.89Å; F218-F239 AromaticContact CD1-CD2 3.95Å; F218-F239 HydrophobicContact CD1-CD2 3.95Å; F218-F239 AromaticContact CD1-CE2 3.58Å; F218-F239 HydrophobicContact CD1-CE2 3.58Å; F218-F239 AromaticContact CD1-CZ 3.87Å; F218-F239 HydrophobicContact CD1-CZ 3.87Å; F218-F239 AromaticContact CE1-CD2 3.6Å; F218-F239 HydrophobicContact CE1-CD2 3.6Å; F218-F239 AromaticContact CE1-CE2 3.31Å; F218-F239 HydrophobicContact CE1-CE2 3.31Å; F218-F239 HydrophobicContact CE1-CZ 4.06Å; F218-F239 HydrophobicContact CZ-CE2 4.49Å; F218-V241 HydrophobicContact CE1-CG1 3.78Å; F218-V241 HydrophobicContact CZ-CG1 3.87Å
219K83.3Confident85.5Confident60 Ų6042.2 Ų42.226%0.26122%0.223SC..Hα-helixtrans-60-44.6175.7-78.9176.1-177170.30111.8K172 I215 E216 G221 F239K172-K219 PolarHBondContact NZ-O 3.5Å; I215-K219 HydrophobicContact CG2-CD 4.1Å; I215-K219 HydrophobicContact CG2-CG 4.36Å; I215-K219 WeakPolarHBondContact O-CB 3.15Å; I215-K219 WeakPolarHBondContact O-CG 3.46Å; I215-K219 PolarHBondContact O-N 3.45Å; E216-K219 PolarHBondContact O-N 2.99Å; E216-K219 WeakPolarHBondContact OE1-CD 3.19Å; E216-K219 IonicContact OE1-NZ 2.93Å; E216-K219 PolarHBondContact OE1-NZ 3.48Å; K219-G221 PolarHBondContact O-N 3.43Å; K219-F239 HydrophobicContact CD-CD1 4.15Å; K219-F239 HydrophobicContact CG-CB 4.23Å; K219-F239 HydrophobicContact CG-CD1 3.57Å; K219-F239 HydrophobicContact CG-CE1 4.19Å; K219-F239 HydrophobicContact CG-CG 4.14Å
220Q83.4Confident85.2Confident128 Ų12838.8 Ų38.860%0.59820%0.2SC*.THydrogen-bonded Turntrans-70.4-6.2178.2-68.317419.200113.5E216 F218 Q222E216-Q220 WeakPolarHBondContact O-CB 3.4Å; E216-Q220 VanDerWaalsContact O-CG 3.23Å; E216-Q220 WeakPolarHBondContact O-CG 3.49Å; E216-Q220 PolarHBondContact O-N 3.33Å; F218-Q220 PolarHBondContact O-N 2.8Å; Q220-Q222 VanDerWaalsContact C-N 3.28Å; Q220-Q222 HydrophobicContact CB-CG 4.18Å; Q220-Q222 PolarHBondContact O-N 2.8Å
221G79.8Confident84.3Confident46 Ų4637.4 Ų37.447%0.47420%0.198SC..THydrogen-bonded Turntrans7517.2-179.900000113.4Q217 F218 K219 S223Q217-G221 PolarHBondContact O-N 2.93Å; F218-G221 PolarHBondContact O-N 2.77Å; F218-G221 VanDerWaalsContact O-N 3.11Å; K219-G221 PolarHBondContact O-N 3.43Å; G221-S223 VanDerWaalsContact C-N 3.29Å
222Q78.2Confident83.2Confident98 Ų9837 Ų3746%0.45820%0.197SC..SBendtrans-70.9-33.7171.6-59.9-179.1-1.700110.4Q198 Q217 Q220Q198-Q222 WeakPolarHBondContact CB-O 3.42Å; Q198-Q222 PolarHBondContact OE1-O 2.76Å; Q217-Q222 HydrophobicContact CB-CB 4.39Å; Q217-Q222 WeakPolarHBondContact O-CB 3.49Å; Q217-Q222 PolarHBondContact O-N 3.32Å; Q220-Q222 VanDerWaalsContact C-N 3.28Å; Q220-Q222 HydrophobicContact CB-CG 4.18Å; Q220-Q222 PolarHBondContact O-N 2.8Å
223S81.6Confident82.5Confident1 Ų135.9 Ų35.91%0.00719%0.194CC..  trans-111.3141.3172.6-48.50000111.7Q198 V200 Q217 F218 G221Q198-S223 WeakPolarHBondContact O-CA 3.44Å; V200-S223 WeakPolarHBondContact CG1-OG 3.35Å; Q217-S223 PolarHBondContact O-N 2.74Å; F218-S223 WeakPolarHBondContact CD2-O 3.25Å; G221-S223 VanDerWaalsContact C-N 3.29Å
224V86.8Confident81.4Confident6 Ų633.1 Ų33.14%0.03618%0.175CC..SBendtrans-95.1-34.3-176.5177.80000110.1Y163 V171 K172 V173 A197 Q198 F218Y163-V224 HydrophobicContact CD2-CG1 3.91Å; Y163-V224 HydrophobicContact CD2-CG2 4.28Å; Y163-V224 HydrophobicContact CE2-CB 4.35Å; Y163-V224 HydrophobicContact CE2-CG1 3.91Å; Y163-V224 HydrophobicContact CE2-CG2 3.43Å; Y163-V224 VanDerWaalsContact CE2-CG2 3.43Å; V171-V224 WeakPolarHBondContact O-CG1 3.46Å; K172-V224 WeakPolarHBondContact CA-O 3.35Å; V173-V224 PolarHBondContact N-O 2.89Å; A197-V224 HydrophobicContact CB-CB 3.78Å; A197-V224 HydrophobicContact CB-CG1 4.22Å; A197-V224 HydrophobicContact CB-CG2 3.62Å; Q198-V224 PolarHBondContact O-N 3.48Å; F218-V224 WeakPolarHBondContact CE2-O 3.36Å
225V92Very high80.2Confident1 Ų133.7 Ų33.71%0.00618%0.177CC..EExtended strand (participates in β ladder)trans-120.2129.7-176.9-172.70000110.2F156 V173 V175 V190 L194 Q198 L199 V200 M227F156-V225 HydrophobicContact CE1-CG1 4.44Å; F156-V225 HydrophobicContact CE1-CG2 4.01Å; F156-V225 HydrophobicContact CZ-CG1 4.33Å; V173-V225 HydrophobicContact CB-CG2 4.28Å; V173-V225 CarbonylContact O-C 3.56Å; V173-V225 WeakPolarHBondContact O-CA 3.38Å; V175-V225 HydrophobicContact CG2-CG1 3.94Å; V190-V225 HydrophobicContact CG1-CB 4.42Å; V190-V225 HydrophobicContact CG1-CG1 4.23Å; V190-V225 HydrophobicContact CG1-CG2 4.01Å; L194-V225 HydrophobicContact CD1-CG2 3.67Å; Q198-V225 PolarHBondContact O-N 3.37Å; L199-V225 WeakPolarHBondContact CA-O 3.25Å; L199-V225 HydrophobicContact CB-CB 4.23Å; L199-V225 HydrophobicContact CD1-CB 3.93Å; L199-V225 HydrophobicContact CD1-CG1 3.83Å; L199-V225 HydrophobicContact CG-CB 4.13Å; L199-V225 HydrophobicContact CG-CG1 4.31Å; V200-V225 PolarHBondContact N-O 2.89Å; V225-M227 HydrophobicContact CG1-CG 4.4Å
226L92.4Very high79Confident0 Ų033.5 Ų33.50%018%0.178CC..EExtended strand (participates in β ladder)trans-113.5113.2170.8174.658.8000109V173 I174 V175 V200 V202 F218 M228 F237 F239V173-L226 PolarHBondContact O-N 3.3Å; I174-L226 CarbonylContact C-O 3.52Å; I174-L226 VanDerWaalsContact CA-O 3.3Å; I174-L226 WeakPolarHBondContact CA-O 3.47Å; I174-L226 HydrophobicContact CG1-CB 4.46Å; V175-L226 PolarHBondContact N-O 2.95Å; V200-L226 HydrophobicContact CG2-CB 4.38Å; V200-L226 HydrophobicContact CG2-CD1 3.73Å; V200-L226 WeakPolarHBondContact O-CA 3.04Å; V202-L226 HydrophobicContact CB-CD1 4.08Å; V202-L226 HydrophobicContact CG2-CD1 3.55Å; F218-L226 HydrophobicContact CD1-CB 4.18Å; F218-L226 HydrophobicContact CD1-CD2 3.86Å; F218-L226 HydrophobicContact CD2-CB 3.59Å; F218-L226 HydrophobicContact CE1-CB 4.2Å; F218-L226 HydrophobicContact CE1-CD2 4.18Å; F218-L226 HydrophobicContact CE2-CB 3.58Å; F218-L226 HydrophobicContact CG-CB 3.88Å; F218-L226 HydrophobicContact CG-CD2 4.11Å; F218-L226 HydrophobicContact CZ-CB 3.89Å; L226-M228 HydrophobicContact CD2-SD 4.5Å; L226-M228 HydrophobicContact CG-CG 4.13Å; L226-F237 HydrophobicContact CD2-CD1 4.25Å; L226-F237 HydrophobicContact CD2-CE1 3.6Å; L226-F239 HydrophobicContact CD2-CE2 4.14Å; L226-F239 HydrophobicContact CD2-CZ 3.71Å
227M93.1Very high78.2Confident0 Ų031.3 Ų31.30%017%0.168CC..EExtended strand (participates in β ladder)trans-88.5141.5172.1-58.7-176.976.800109.9V175 L177 T183 I186 R187 L199 V200 S201 V202 V225V175-M227 HydrophobicContact CB-CG 4.39Å; V175-M227 CarbonylContact O-C 3.38Å; V175-M227 WeakPolarHBondContact O-CA 3.36Å; L177-M227 HydrophobicContact CD1-CB 4.35Å; L177-M227 HydrophobicContact CD1-CE 3.52Å; L177-M227 HydrophobicContact CD2-CE 4.25Å; T183-M227 HydrophobicContact CG2-CB 3.91Å; T183-M227 HydrophobicContact CG2-CE 3.84Å; T183-M227 HydrophobicContact CG2-SD 4.06Å; T183-M227 VanDerWaalsContact O-CE 3.31Å; T183-M227 WeakPolarHBondContact O-CE 3.36Å; I186-M227 HydrophobicContact CB-CE 3.79Å; I186-M227 HydrophobicContact CG2-CE 3.64Å; R187-M227 HydrophobicContact CB-SD 4.16Å; L199-M227 HydrophobicContact CD1-CG 3.95Å; L199-M227 HydrophobicContact CD1-SD 3.7Å; L199-M227 HydrophobicContact CD2-CG 4.25Å; L199-M227 HydrophobicContact CD2-SD 3.86Å; L199-M227 HydrophobicContact CG-CG 4.2Å; L199-M227 HydrophobicContact CG-SD 4.21Å; V200-M227 PolarHBondContact O-N 2.92Å; S201-M227 CarbonylContact C-O 3.46Å; S201-M227 WeakPolarHBondContact CA-O 3.49Å; V202-M227 PolarHBondContact N-O 3.3Å; V225-M227 HydrophobicContact CG1-CG 4.4Å
228M89.7Confident77.4Confident1 Ų136.6 Ų36.61%0.00519%0.19CC..EExtended strand (participates in β ladder)trans-137.5142.5178.4-59.8-175.667.900110.2I174 V175 F176 L177 L226 C234 F237 L259I174-M228 HydrophobicContact CG2-CG 4.39Å; I174-M228 HydrophobicContact CG2-SD 4.08Å; V175-M228 PolarHBondContact O-N 3.13Å; F176-M228 CarbonylContact C-O 3.58Å; F176-M228 WeakPolarHBondContact CA-O 3.08Å; F176-M228 HydrophobicContact CD2-CB 4.4Å; L177-M228 PolarHBondContact N-O 3.3Å; L226-M228 HydrophobicContact CD2-SD 4.5Å; L226-M228 HydrophobicContact CG-CG 4.13Å; M228-C234 HydrophobicContact CE-CB 4.43Å; M228-C234 WeakPolarHBondContact CE-SG 3.43Å; M228-F237 HydrophobicContact CE-CD1 4.02Å; M228-F237 HydrophobicContact CE-CE1 3.27Å; M228-F237 HydrophobicContact CE-CE2 3.89Å; M228-F237 HydrophobicContact CE-CZ 3.19Å; M228-F237 HydrophobicContact CG-CE1 4.33Å; M228-F237 HydrophobicContact SD-CD1 3.86Å; M228-F237 HydrophobicContact SD-CE1 3.21Å; M228-F237 WeakPolarHBondContact SD-CE1 3.18Å; M228-F237 HydrophobicContact SD-CZ 3.8Å; M228-L259 HydrophobicContact CE-CD2 4.33Å; M228-L259 HydrophobicContact SD-CD2 3.73Å
229C86.5Confident76.8Confident2 Ų237.8 Ų37.81%0.01420%0.195CC..EExtended strand (participates in β ladder)trans-105.5162.4172.258.30000112.8L177 I180 D203 T231 S232L177-C229 CarbonylContact O-C 3.5Å; L177-C229 WeakPolarHBondContact O-CA 3.48Å; I180-C229 HydrophobicContact CG1-CB 4.49Å; D203-C229 WeakPolarHBondContact CB-SG 3.46Å; C229-T231 PolarHBondContact O-N 3.04Å; C229-T231 VanDerWaalsContact O-N 3.16Å; C229-T231 PolarHBondContact SG-OG1 3.41Å; C229-S232 VanDerWaalsContact O-CB 3.23Å; C229-S232 WeakPolarHBondContact O-CB 3.35Å; C229-S232 PolarHBondContact O-N 2.66Å
230E75.2Confident76.9Confident36 Ų3639.6 Ų39.617%0.16821%0.212CC..THydrogen-bonded Turntrans-52.8-36.4178.5-177.679.9-152.100113.8F176 L177 D178 S232 P250 S251 K252F176-E230 HydrophobicContact CZ-CB 3.94Å; F176-E230 WeakPolarHBondContact CZ-OE2 3.35Å; L177-E230 PolarHBondContact O-N 2.81Å; D178-E230 WeakPolarHBondContact O-CB 3.43Å; E230-S232 PolarHBondContact O-N 3.25Å; E230-P250 WeakPolarHBondContact OE2-CA 3.38Å; E230-S251 VanDerWaalsContact CD-N 3.28Å; E230-S251 WeakPolarHBondContact OE1-CB 3.37Å; E230-S251 PolarHBondContact OE1-N 2.81Å; E230-S251 VanDerWaalsContact OE1-N 3.07Å; E230-S251 PolarHBondContact OE2-N 2.82Å; E230-K252 PolarHBondContact OE1-N 3.4Å
231T65.4Low77.1Confident72 Ų7233.5 Ų33.544%0.44218%0.183SC..THydrogen-bonded Turntrans-62.2-31.4179.352.50000110.8D204 C229 N233D204-T231 VanDerWaalsContact OD2-C 3.24Å; D204-T231 WeakPolarHBondContact OD2-CB 3.39Å; C229-T231 PolarHBondContact O-N 3.04Å; C229-T231 VanDerWaalsContact O-N 3.16Å; C229-T231 PolarHBondContact SG-OG1 3.41Å; T231-N233 PolarHBondContact O-N 3.04Å
232S60Low77.6Confident2 Ų234.5 Ų34.51%0.01418%0.178CC..SBendtrans-63.5119-179.9-91.40000114.5V202 D203 D204 R211 C229 E230 C234V202-S232 PolarHBondContact O-OG 3.2Å; D203-S232 WeakPolarHBondContact CA-OG 3.09Å; D203-S232 PolarHBondContact N-OG 2.98Å; D204-S232 WeakPolarHBondContact OD1-CA 3.47Å; R211-S232 PolarHBondContact NH1-OG 3.03Å; C229-S232 VanDerWaalsContact O-CB 3.23Å; C229-S232 WeakPolarHBondContact O-CB 3.35Å; C229-S232 PolarHBondContact O-N 2.66Å; E230-S232 PolarHBondContact O-N 3.25Å; S232-C234 PolarHBondContact O-N 2.98Å
233N65.5Low78.3Confident73 Ų7331.4 Ų31.439%0.3916%0.163SC..  trans-66115.3168.6-176.3-5.7000112.2R211 T231 E235R211-N233 PolarHBondContact NH2-O 3.42Å; T231-N233 PolarHBondContact O-N 3.04Å; N233-E235 VanDerWaalsContact ND2-CD 3.34Å; N233-E235 PolarHBondContact ND2-OE2 2.96Å; N233-E235 PolarHBondContact O-N 3.37Å; N233-E235 VanDerWaalsContact O-N 3.13Å; N233-E235 VanDerWaalsContact OD1-CB 3.29Å; N233-E235 WeakPolarHBondContact OD1-CB 3.4Å; N233-E235 WeakPolarHBondContact OD1-CG 3.34Å; N233-E235 PolarHBondContact OD1-N 2.96Å
234C62.8Low78.9Confident1 Ų131.4 Ų31.41%0.00716%0.163CC..  trans-74.23.2-178.6-63.80000114.6M228 S232 F237 Q258M228-C234 HydrophobicContact CE-CB 4.43Å; M228-C234 WeakPolarHBondContact CE-SG 3.43Å; S232-C234 PolarHBondContact O-N 2.98Å; C234-F237 VanDerWaalsContact C-CD2 3.41Å; C234-F237 WeakPolarHBondContact O-CB 3.47Å; C234-F237 WeakPolarHBondContact O-CD2 3.39Å; C234-F237 WeakPolarHBondContact O-CG 3.36Å; C234-F237 PolarHBondContact O-N 3.31Å; C234-Q258 HydrophobicContact CB-CG 4.03Å; C234-Q258 PolarHBondContact O-NE2 3.28Å
235E63.6Low79.3Confident49 Ų4931.1 Ų31.123%0.22916%0.161CC..THydrogen-bonded Turntrans-58.3138.8174.4-76.6174.3163.900112.2M1 I2 R72 N233 F237M1-E235 HydrophobicContact CE-CB 4.31Å; I2-E235 WeakPolarHBondContact CD1-OE2 3.49Å; R72-E235 IonicContact CZ-OE1 2.9Å; R72-E235 IonicContact NH1-OE1 3.04Å; R72-E235 PolarHBondContact NH1-OE1 3.28Å; R72-E235 IonicContact NH1-OE2 2.99Å; R72-E235 PolarHBondContact NH1-OE2 2.92Å; R72-E235 VanDerWaalsContact NH1-OE2 3.1Å; N233-E235 VanDerWaalsContact ND2-CD 3.34Å; N233-E235 PolarHBondContact ND2-OE2 2.96Å; N233-E235 PolarHBondContact O-N 3.37Å; N233-E235 VanDerWaalsContact O-N 3.13Å; N233-E235 VanDerWaalsContact OD1-CB 3.29Å; N233-E235 WeakPolarHBondContact OD1-CB 3.4Å; N233-E235 WeakPolarHBondContact OD1-CG 3.34Å; N233-E235 PolarHBondContact OD1-N 2.96Å; E235-F237 WeakPolarHBondContact O-CD2 3.39Å
236G60.1Low79.5Confident7 Ų731 Ų317%0.07216%0.161CC..THydrogen-bonded Turntrans870.1-179.600000115.2F238G236-F238 PolarHBondContact O-N 3.21Å
237F67.6Low79.7Confident17 Ų1731.5 Ų31.58%0.07516%0.163CC..  trans-79.767.6179.8-74.2-118.1000111.3V202 I215 L226 M228 C234 E235 F239V202-F237 HydrophobicContact CG1-CZ 4.13Å; I215-F237 HydrophobicContact CD1-CD2 4.35Å; I215-F237 HydrophobicContact CD1-CE1 4.49Å; I215-F237 HydrophobicContact CD1-CE2 3.57Å; I215-F237 HydrophobicContact CD1-CZ 3.64Å; I215-F237 HydrophobicContact CG1-CE1 4.49Å; I215-F237 HydrophobicContact CG1-CE2 4.39Å; I215-F237 HydrophobicContact CG1-CZ 4.01Å; L226-F237 HydrophobicContact CD2-CD1 4.25Å; L226-F237 HydrophobicContact CD2-CE1 3.6Å; M228-F237 HydrophobicContact CE-CD1 4.02Å; M228-F237 HydrophobicContact CE-CE1 3.27Å; M228-F237 HydrophobicContact CE-CE2 3.89Å; M228-F237 HydrophobicContact CE-CZ 3.19Å; M228-F237 HydrophobicContact CG-CE1 4.33Å; M228-F237 HydrophobicContact SD-CD1 3.86Å; M228-F237 HydrophobicContact SD-CE1 3.21Å; M228-F237 WeakPolarHBondContact SD-CE1 3.18Å; M228-F237 HydrophobicContact SD-CZ 3.8Å; C234-F237 VanDerWaalsContact C-CD2 3.41Å; C234-F237 WeakPolarHBondContact O-CB 3.47Å; C234-F237 WeakPolarHBondContact O-CD2 3.39Å; C234-F237 WeakPolarHBondContact O-CG 3.36Å; C234-F237 PolarHBondContact O-N 3.31Å; E235-F237 WeakPolarHBondContact O-CD2 3.39Å; F237-F239 HydrophobicContact CB-CE1 4.02Å; F237-F239 HydrophobicContact CB-CZ 4.11Å; F237-F239 AromaticContact CD1-CE1 3.81Å; F237-F239 HydrophobicContact CD1-CE1 3.81Å; F237-F239 HydrophobicContact CD1-CE2 4.12Å; F237-F239 AromaticContact CD1-CZ 3.25Å; F237-F239 HydrophobicContact CD1-CZ 3.25Å; F237-F239 HydrophobicContact CE1-CE1 4.49Å; F237-F239 AromaticContact CE1-CZ 3.86Å; F237-F239 HydrophobicContact CE1-CZ 3.86Å; F237-F239 HydrophobicContact CG-CE1 4.06Å; F237-F239 AromaticContact CG-CZ 3.94Å; F237-F239 HydrophobicContact CG-CZ 3.94Å; F237-F239 PolarHBondContact O-N 2.81Å
238F69.4Low79.8Confident168 Ų16832.3 Ų32.374%0.73717%0.167SC*.  trans-95.677.7175.9-59.3-71.8000110.5G236G236-F238 PolarHBondContact O-N 3.21Å
239F76.4Confident80Confident25 Ų2532.3 Ų32.311%0.1117%0.167CC..  trans-157.9156.8172.944.8-94.5000110.9I174 I215 F218 K219 L226 F237 V241I174-F239 HydrophobicContact CD1-CE2 3.89Å; I215-F239 HydrophobicContact CG2-CE1 3.9Å; F218-F239 AromaticContact CD1-CD2 3.95Å; F218-F239 HydrophobicContact CD1-CD2 3.95Å; F218-F239 AromaticContact CD1-CE2 3.58Å; F218-F239 HydrophobicContact CD1-CE2 3.58Å; F218-F239 AromaticContact CD1-CZ 3.87Å; F218-F239 HydrophobicContact CD1-CZ 3.87Å; F218-F239 AromaticContact CE1-CD2 3.6Å; F218-F239 HydrophobicContact CE1-CD2 3.6Å; F218-F239 AromaticContact CE1-CE2 3.31Å; F218-F239 HydrophobicContact CE1-CE2 3.31Å; F218-F239 HydrophobicContact CE1-CZ 4.06Å; F218-F239 HydrophobicContact CZ-CE2 4.49Å; K219-F239 HydrophobicContact CD-CD1 4.15Å; K219-F239 HydrophobicContact CG-CB 4.23Å; K219-F239 HydrophobicContact CG-CD1 3.57Å; K219-F239 HydrophobicContact CG-CE1 4.19Å; K219-F239 HydrophobicContact CG-CG 4.14Å; L226-F239 HydrophobicContact CD2-CE2 4.14Å; L226-F239 HydrophobicContact CD2-CZ 3.71Å; F237-F239 HydrophobicContact CB-CE1 4.02Å; F237-F239 HydrophobicContact CB-CZ 4.11Å; F237-F239 AromaticContact CD1-CE1 3.81Å; F237-F239 HydrophobicContact CD1-CE1 3.81Å; F237-F239 HydrophobicContact CD1-CE2 4.12Å; F237-F239 AromaticContact CD1-CZ 3.25Å; F237-F239 HydrophobicContact CD1-CZ 3.25Å; F237-F239 HydrophobicContact CE1-CE1 4.49Å; F237-F239 AromaticContact CE1-CZ 3.86Å; F237-F239 HydrophobicContact CE1-CZ 3.86Å; F237-F239 HydrophobicContact CG-CE1 4.06Å; F237-F239 AromaticContact CG-CZ 3.94Å; F237-F239 HydrophobicContact CG-CZ 3.94Å; F237-F239 PolarHBondContact O-N 2.81Å; F239-V241 HydrophobicContact CD2-CG1 3.85Å; F239-V241 HydrophobicContact CE2-CG1 4.13Å
240T85.3Confident80.2Confident98 Ų9832.4 Ų32.460%0.60117%0.168SC*.  trans-98.5137.3178.8-52.80000110.8T262T240-T262 CarbonylContact C-O 3.55Å; T240-T262 VanDerWaalsContact CA-O 3.22Å; T240-T262 WeakPolarHBondContact CA-O 3.06Å
241V88.7Confident80.8Confident0 Ų034.9 Ų34.90%019%0.189CC..EExtended strand (participates in β ladder)trans-123.6154.1176.5-54.50000111.6K172 I174 F218 F239 T262 V263 G264K172-V241 HydrophobicContact CB-CB 4.1Å; K172-V241 HydrophobicContact CB-CG1 4.03Å; I174-V241 HydrophobicContact CD1-CG1 3.82Å; I174-V241 HydrophobicContact CD1-CG2 4.01Å; I174-V241 HydrophobicContact CG1-CB 4.46Å; I174-V241 HydrophobicContact CG1-CG1 3.87Å; I174-V241 HydrophobicContact CG1-CG2 4.21Å; F218-V241 HydrophobicContact CE1-CG1 3.78Å; F218-V241 HydrophobicContact CZ-CG1 3.87Å; F239-V241 HydrophobicContact CD2-CG1 3.85Å; F239-V241 HydrophobicContact CE2-CG1 4.13Å; V241-T262 PolarHBondContact N-O 2.77Å; V241-V263 HydrophobicContact CG2-CG2 4.14Å; V241-G264 PolarHBondContact O-N 3.42Å; V241-G264 VanDerWaalsContact O-N 3.09Å
242D89.7Confident81.7Confident67 Ų6737.9 Ų37.936%0.35820%0.196SC..EExtended strand (participates in β ladder)trans-84.3-34.8179.8-54.8-68.6000111.1V171 K172 G267 T268V171-D242 WeakPolarHBondContact CA-OD2 3.44Å; V171-D242 HydrophobicContact CG1-CB 4.43Å; K172-D242 PolarHBondContact N-OD2 3.12Å; K172-D242 PolarHBondContact O-N 3.12Å; D242-G267 CarbonylContact O-C 3.53Å; D242-G267 WeakPolarHBondContact O-CA 3.29Å; D242-T268 PolarHBondContact O-N 3.19Å
243H92.5Very high82.8Confident34 Ų3439.4 Ų39.416%0.15721%0.207CC..EExtended strand (participates in β ladder)trans-133.1129.7-179.8-63.1-79.8000111.4I159 K172 V173 I174 T268I159-H243 HydrophobicContact CD1-CB 4.25Å; K172-H243 PolarHBondContact O-N 3.16Å; K172-H243 VanDerWaalsContact O-N 3.13Å; V173-H243 CarbonylContact C-O 3.38Å; V173-H243 VanDerWaalsContact CA-O 3.25Å; V173-H243 WeakPolarHBondContact CA-O 3.43Å; V173-H243 HydrophobicContact CB-CB 4.46Å; V173-H243 HydrophobicContact CG1-CB 4.03Å; V173-H243 HydrophobicContact CG2-CB 4.16Å; I174-H243 PolarHBondContact N-O 2.84Å; H243-T268 WeakPolarHBondContact CA-O 3.27Å
244L93.4Very high83.4Confident0 Ų040.6 Ų40.60%021%0.21CC..EExtended strand (participates in β ladder)trans-114.7122.2167173.363.7000108.3I174 F246 L259 V260 V263 T268 V269 T270I174-L244 HydrophobicContact CB-CD1 3.72Å; I174-L244 HydrophobicContact CG2-CD1 3.66Å; L244-F246 HydrophobicContact CD1-CZ 4.35Å; L244-F246 HydrophobicContact CD2-CD2 4.37Å; L244-F246 HydrophobicContact CD2-CE2 3.45Å; L244-F246 VanDerWaalsContact CD2-CE2 3.45Å; L244-F246 HydrophobicContact CD2-CZ 3.59Å; L244-F246 HydrophobicContact CG-CD2 4.28Å; L244-F246 HydrophobicContact CG-CE2 3.82Å; L244-F246 HydrophobicContact CG-CZ 4.08Å; L244-L259 HydrophobicContact CD1-CB 4.18Å; L244-L259 VanDerWaalsContact CD2-C 3.45Å; L244-L259 HydrophobicContact CD2-CB 3.96Å; L244-L259 WeakPolarHBondContact CD2-O 3.33Å; L244-V260 HydrophobicContact CD2-CB 4.38Å; L244-V260 HydrophobicContact CD2-CG2 3.97Å; L244-V263 HydrophobicContact CB-CG2 3.37Å; L244-V263 HydrophobicContact CD2-CG2 3.89Å; L244-V263 HydrophobicContact CG-CG2 4.3Å; L244-T268 PolarHBondContact N-O 2.79Å; L244-V269 HydrophobicContact CB-CG2 4.43Å; L244-V269 HydrophobicContact CD2-CG1 4.3Å; L244-V269 HydrophobicContact CD2-CG2 4.33Å; L244-V269 CarbonylContact O-C 3.5Å; L244-V269 WeakPolarHBondContact O-CA 3.43Å; L244-T270 PolarHBondContact O-N 3.17Å
245I96.2Very high84.4Confident0 Ų041.5 Ų41.50%022%0.215CC..EExtended strand (participates in β ladder)trans-115.7113.7-179.4-55.5167.8000108.1M152 I155 F156 I159 V173 I174 V175 F176 H247 T270M152-I245 HydrophobicContact CE-CG2 4.19Å; M152-I245 HydrophobicContact SD-CG2 3.78Å; I155-I245 HydrophobicContact CD1-CG2 4.44Å; I155-I245 HydrophobicContact CG2-CD1 3.64Å; I155-I245 HydrophobicContact CG2-CG1 4.38Å; F156-I245 HydrophobicContact CE2-CD1 3.8Å; F156-I245 HydrophobicContact CZ-CD1 3.89Å; I159-I245 HydrophobicContact CD1-CD1 3.78Å; V173-I245 HydrophobicContact CG1-CD1 3.8Å; V173-I245 HydrophobicContact CG1-CG1 4.32Å; I174-I245 PolarHBondContact O-N 2.77Å; V175-I245 CarbonylContact C-O 3.48Å; V175-I245 WeakPolarHBondContact CA-O 3.43Å; V175-I245 HydrophobicContact CG2-CB 4.47Å; V175-I245 HydrophobicContact CG2-CD1 4.37Å; F176-I245 PolarHBondContact N-O 3.44Å; I245-H247 PolarHBondContact O-N 3.27Å; I245-T270 CarbonylContact C-O 3.51Å; I245-T270 WeakPolarHBondContact CA-O 3.27Å
246F96.3Very high85.5Confident0 Ų039.1 Ų39.10%021%0.205CC..EExtended strand (participates in β ladder)trans-86.995.8164.8-66.8-72.7000107.8F176 L244 D248 P250 Y256 L259 V260 V269 T270 T271 L272F176-F246 HydrophobicContact CB-CD1 3.72Å; F176-F246 HydrophobicContact CB-CE1 4.08Å; F176-F246 AromaticContact CD1-CD1 3.99Å; F176-F246 HydrophobicContact CD1-CD1 3.99Å; F176-F246 HydrophobicContact CG-CD1 4Å; F176-F246 HydrophobicContact CG-CE1 4.24Å; L244-F246 HydrophobicContact CD1-CZ 4.35Å; L244-F246 HydrophobicContact CD2-CD2 4.37Å; L244-F246 HydrophobicContact CD2-CE2 3.45Å; L244-F246 VanDerWaalsContact CD2-CE2 3.45Å; L244-F246 HydrophobicContact CD2-CZ 3.59Å; L244-F246 HydrophobicContact CG-CD2 4.28Å; L244-F246 HydrophobicContact CG-CE2 3.82Å; L244-F246 HydrophobicContact CG-CZ 4.08Å; F246-D248 VanDerWaalsContact C-N 3.32Å; F246-D248 WeakPolarHBondContact CB-O 3Å; F246-P250 HydrophobicContact CD1-CG 4.08Å; F246-P250 HydrophobicContact CE1-CG 3.72Å; F246-Y256 HydrophobicContact CD1-CD2 4.23Å; F246-Y256 HydrophobicContact CD1-CE2 4.46Å; F246-Y256 HydrophobicContact CD2-CD2 4.07Å; F246-Y256 AromaticContact CD2-CE2 3.55Å; F246-Y256 HydrophobicContact CD2-CE2 3.55Å; F246-Y256 AromaticContact CE1-CD2 3.82Å; F246-Y256 HydrophobicContact CE1-CD2 3.82Å; F246-Y256 HydrophobicContact CE1-CE2 4.29Å; F246-Y256 AromaticContact CE2-CD2 3.63Å; F246-Y256 HydrophobicContact CE2-CD2 3.63Å; F246-Y256 AromaticContact CE2-CE2 3.32Å; F246-Y256 HydrophobicContact CE2-CE2 3.32Å; F246-Y256 HydrophobicContact CE2-CG 4.43Å; F246-Y256 AromaticContact CE2-CZ 3.88Å; F246-Y256 HydrophobicContact CG-CD2 4.34Å; F246-Y256 HydrophobicContact CG-CE2 4.12Å; F246-Y256 AromaticContact CZ-CD2 3.47Å; F246-Y256 HydrophobicContact CZ-CD2 3.47Å; F246-Y256 VanDerWaalsContact CZ-CD2 3.47Å; F246-Y256 AromaticContact CZ-CE2 3.72Å; F246-Y256 HydrophobicContact CZ-CE2 3.72Å; F246-Y256 HydrophobicContact CZ-CG 4.06Å; F246-L259 HydrophobicContact CE1-CB 4.22Å; F246-L259 HydrophobicContact CE1-CD1 3.76Å; F246-L259 HydrophobicContact CZ-CB 3.93Å; F246-L259 HydrophobicContact CZ-CD1 4.32Å; F246-V260 HydrophobicContact CE2-CG2 3.78Å; F246-V260 HydrophobicContact CZ-CG2 3.99Å; F246-V269 HydrophobicContact CD2-CG1 3.96Å; F246-V269 HydrophobicContact CE2-CG1 3.82Å; F246-T270 PolarHBondContact N-O 3.21Å; F246-T271 HydrophobicContact CB-CG2 4.15Å; F246-L272 PolarHBondContact O-N 3.41Å
247H96.1Very high86.7Confident10 Ų1040.9 Ų40.95%0.04621%0.21CC..SBendtrans-64-47.9167.3176.9-89.2000108.9K148 N149 M152 V175 F176 L177 I245K148-H247 VanDerWaalsContact CB-NE2 3.33Å; K148-H247 WeakPolarHBondContact CB-NE2 3.49Å; K148-H247 WeakPolarHBondContact CD-O 3.43Å; K148-H247 WeakPolarHBondContact CE-O 3.28Å; K148-H247 PolarHBondContact NZ-O 2.91Å; N149-H247 PolarHBondContact OD1-NE2 3.22Å; N149-H247 VanDerWaalsContact OD1-NE2 3.15Å; M152-H247 HydrophobicContact CE-CB 4.39Å; M152-H247 HydrophobicContact SD-CB 4.48Å; V175-H247 HydrophobicContact CG1-CB 4.4Å; F176-H247 WeakPolarHBondContact O-CB 3.36Å; F176-H247 PolarHBondContact O-N 3.27Å; L177-H247 HydrophobicContact CD2-CB 4.19Å; L177-H247 HydrophobicContact CG-CB 4.06Å; I245-H247 PolarHBondContact O-N 3.27Å
248D95.1Very high87.3Confident16 Ų1643.6 Ų43.69%0.08622%0.223CC..SBendtrans-115.4156.3166.7-56-59000109.2K148 F176 D178 F246K148-D248 IonicContact NZ-OD1 3.22Å; K148-D248 PolarHBondContact NZ-OD1 3.29Å; F176-D248 WeakPolarHBondContact CD1-O 3.27Å; F176-D248 PolarHBondContact O-N 3.46Å; D178-D248 HydrophobicContact CB-CB 3.85Å; D178-D248 PolarHBondContact N-OD2 3.29Å; F246-D248 VanDerWaalsContact C-N 3.32Å; F246-D248 WeakPolarHBondContact CB-O 3Å
249I93.9Very high88.2Confident1 Ų135.7 Ų35.71%0.00519%0.188CC..  trans-95.7132.3179.3-62.8141.5000108.1Y256 T271 Y273 D278 K281 I285I249-Y256 HydrophobicContact CG2-CD2 4.19Å; I249-T271 HydrophobicContact CD1-CG2 3.83Å; I249-T271 HydrophobicContact CG1-CG2 3.54Å; I249-Y273 HydrophobicContact CD1-CD2 3.7Å; I249-Y273 HydrophobicContact CD1-CG 4.47Å; I249-D278 HydrophobicContact CD1-CB 3.74Å; I249-K281 HydrophobicContact CB-CB 4.43Å; I249-K281 HydrophobicContact CB-CD 3.62Å; I249-K281 HydrophobicContact CG2-CB 3.82Å; I249-K281 HydrophobicContact CG2-CD 3.67Å; I249-K281 HydrophobicContact CG2-CG 4.3Å; I249-K281 WeakPolarHBondContact O-CD 3.44Å; I249-K281 WeakPolarHBondContact O-CE 3.42Å; I249-K281 PolarHBondContact O-NZ 3.04Å; I249-I285 HydrophobicContact CD1-CD1 3.64Å; I249-I285 HydrophobicContact CG1-CD1 4.15Å; I249-I285 HydrophobicContact CG2-CD1 4.48Å
250P90.6Very high88.7Confident4 Ų434.7 Ų34.73%0.02618%0.184CC..  trans-54.3141.8178.1-23.528.5000112.8F176 E230 F246 K252 V255F176-P250 HydrophobicContact CD1-CG 3.84Å; F176-P250 HydrophobicContact CD2-CG 4.27Å; F176-P250 HydrophobicContact CE1-CB 3.97Å; F176-P250 HydrophobicContact CE1-CG 3.5Å; F176-P250 VanDerWaalsContact CE1-CG 3.5Å; F176-P250 HydrophobicContact CE2-CB 4.39Å; F176-P250 HydrophobicContact CE2-CG 3.95Å; F176-P250 HydrophobicContact CG-CG 4.2Å; F176-P250 HydrophobicContact CZ-CB 3.74Å; F176-P250 HydrophobicContact CZ-CG 3.54Å; E230-P250 WeakPolarHBondContact OE2-CA 3.38Å; F246-P250 HydrophobicContact CD1-CG 4.08Å; F246-P250 HydrophobicContact CE1-CG 3.72Å; P250-K252 VanDerWaalsContact C-N 3.32Å; P250-V255 HydrophobicContact CB-CB 3.94Å; P250-V255 HydrophobicContact CB-CG1 3.89Å; P250-V255 HydrophobicContact CG-CB 4.41Å; P250-V255 HydrophobicContact CG-CG1 3.98Å
251S88.4Confident88.5Confident88 Ų8833 Ų3362%0.61518%0.176SC*.SBendtrans-69.1-36.4176.5-59.90000110.8E230E230-S251 VanDerWaalsContact CD-N 3.28Å; E230-S251 WeakPolarHBondContact OE1-CB 3.37Å; E230-S251 PolarHBondContact OE1-N 2.81Å; E230-S251 VanDerWaalsContact OE1-N 3.07Å; E230-S251 PolarHBondContact OE2-N 2.82Å
252K84.2Confident88.3Confident135 Ų13533.2 Ų33.259%0.58718%0.177SC*.SBendtrans-90.9125.1174.2-64.7179.5-177.41750111.1E230 P250 E254 V255 Y256E230-K252 PolarHBondContact OE1-N 3.4Å; P250-K252 VanDerWaalsContact C-N 3.32Å; K252-E254 PolarHBondContact O-N 3.21Å; K252-V255 HydrophobicContact CB-CB 4.5Å; K252-V255 HydrophobicContact CB-CG2 4Å; K252-V255 PolarHBondContact O-N 2.79Å; K252-Y256 PolarHBondContact O-N 3.48Å
253S83Confident88.2Confident35 Ų3531 Ų3125%0.24517%0.166CC..Hα-helixtrans-60.4-34.217969.30000112.7V255 Y256 F257S253-V255 VanDerWaalsContact C-N 3.32Å; S253-V255 PolarHBondContact O-N 2.97Å; S253-Y256 WeakPolarHBondContact O-CB 3.36Å; S253-Y256 PolarHBondContact O-N 3.46Å; S253-F257 WeakPolarHBondContact O-CD2 3.42Å; S253-F257 PolarHBondContact O-N 3.25Å
254E78.7Confident87.8Confident97 Ų9730.1 Ų30.145%0.45317%0.167SC..Hα-helixtrans-59.1-42.7179.1-69.474.3-167.100111.3K125 K252 F257 Q258K125-E254 IonicContact NZ-OE1 3.84Å; K125-E254 PolarHBondContact NZ-OE1 3.48Å; K252-E254 PolarHBondContact O-N 3.21Å; E254-F257 PolarHBondContact O-N 3.22Å; E254-Q258 VanDerWaalsContact O-CB 3.3Å; E254-Q258 WeakPolarHBondContact O-CB 3.39Å; E254-Q258 PolarHBondContact O-N 3.22Å
255V82.6Confident87.1Confident20 Ų2037 Ų3712%0.12120%0.199CC..Hα-helixtrans-64.7-43.5177.5176.10000110.7F176 P250 K252 S253 F257 Q258 L259F176-V255 HydrophobicContact CE2-CG1 4.04Å; P250-V255 HydrophobicContact CB-CB 3.94Å; P250-V255 HydrophobicContact CB-CG1 3.89Å; P250-V255 HydrophobicContact CG-CB 4.41Å; P250-V255 HydrophobicContact CG-CG1 3.98Å; K252-V255 HydrophobicContact CB-CB 4.5Å; K252-V255 HydrophobicContact CB-CG2 4Å; K252-V255 PolarHBondContact O-N 2.79Å; S253-V255 VanDerWaalsContact C-N 3.32Å; S253-V255 PolarHBondContact O-N 2.97Å; V255-F257 PolarHBondContact O-N 2.77Å; V255-Q258 PolarHBondContact O-N 2.93Å; V255-L259 HydrophobicContact CG1-CD1 3.99Å; V255-L259 WeakPolarHBondContact O-CG 3.42Å; V255-L259 PolarHBondContact O-N 2.93Å
256Y87.4Confident86.5Confident0 Ų044.6 Ų44.60%024%0.239CC..Hα-helixtrans-57-51.3176-179.4-86000111.2F246 I249 K252 S253 Q258 L259 V260 T284 I285 A288F246-Y256 HydrophobicContact CD1-CD2 4.23Å; F246-Y256 HydrophobicContact CD1-CE2 4.46Å; F246-Y256 HydrophobicContact CD2-CD2 4.07Å; F246-Y256 AromaticContact CD2-CE2 3.55Å; F246-Y256 HydrophobicContact CD2-CE2 3.55Å; F246-Y256 AromaticContact CE1-CD2 3.82Å; F246-Y256 HydrophobicContact CE1-CD2 3.82Å; F246-Y256 HydrophobicContact CE1-CE2 4.29Å; F246-Y256 AromaticContact CE2-CD2 3.63Å; F246-Y256 HydrophobicContact CE2-CD2 3.63Å; F246-Y256 AromaticContact CE2-CE2 3.32Å; F246-Y256 HydrophobicContact CE2-CE2 3.32Å; F246-Y256 HydrophobicContact CE2-CG 4.43Å; F246-Y256 AromaticContact CE2-CZ 3.88Å; F246-Y256 HydrophobicContact CG-CD2 4.34Å; F246-Y256 HydrophobicContact CG-CE2 4.12Å; F246-Y256 AromaticContact CZ-CD2 3.47Å; F246-Y256 HydrophobicContact CZ-CD2 3.47Å; F246-Y256 VanDerWaalsContact CZ-CD2 3.47Å; F246-Y256 AromaticContact CZ-CE2 3.72Å; F246-Y256 HydrophobicContact CZ-CE2 3.72Å; F246-Y256 HydrophobicContact CZ-CG 4.06Å; I249-Y256 HydrophobicContact CG2-CD2 4.19Å; K252-Y256 PolarHBondContact O-N 3.48Å; S253-Y256 WeakPolarHBondContact O-CB 3.36Å; S253-Y256 PolarHBondContact O-N 3.46Å; Y256-Q258 PolarHBondContact O-N 2.97Å; Y256-L259 PolarHBondContact O-N 3.33Å; Y256-V260 HydrophobicContact CD1-CG2 3.89Å; Y256-V260 HydrophobicContact CE1-CG2 3.58Å; Y256-V260 HydrophobicContact CG-CG2 4.48Å; Y256-V260 WeakPolarHBondContact O-CB 3.49Å; Y256-V260 WeakPolarHBondContact O-CG2 3.26Å; Y256-V260 PolarHBondContact O-N 2.91Å; Y256-T284 HydrophobicContact CD1-CG2 3.69Å; Y256-T284 HydrophobicContact CE1-CG2 4.41Å; Y256-T284 HydrophobicContact CG-CG2 3.83Å; Y256-I285 HydrophobicContact CE2-CG1 4.33Å; Y256-A288 HydrophobicContact CE1-CB 3.59Å
257F84.8Confident86.1Confident43 Ų4344.8 Ų44.819%0.18924%0.241CC..Hα-helixtrans-66.2-38.9-179.1-72.3-64.4000112.5S253 E254 V255 V260 C261 T284 T287 A288S253-F257 WeakPolarHBondContact O-CD2 3.42Å; S253-F257 PolarHBondContact O-N 3.25Å; E254-F257 PolarHBondContact O-N 3.22Å; V255-F257 PolarHBondContact O-N 2.77Å; F257-V260 PolarHBondContact O-N 3.35Å; F257-C261 PolarHBondContact O-N 3.48Å; F257-C261 PolarHBondContact O-SG 3.37Å; F257-T284 HydrophobicContact CE2-CG2 3.91Å; F257-T284 HydrophobicContact CZ-CG2 4.13Å; F257-T287 HydrophobicContact CZ-CG2 3.95Å; F257-A288 HydrophobicContact CE1-CB 3.83Å
258Q81.3Confident85.9Confident75 Ų7545.4 Ų45.435%0.3525%0.245SC..Hα-helixtrans-62.1-44.1177.4-176.1170-1.600112C234 E254 V255 Y256 C261C234-Q258 HydrophobicContact CB-CG 4.03Å; C234-Q258 PolarHBondContact O-NE2 3.28Å; E254-Q258 VanDerWaalsContact O-CB 3.3Å; E254-Q258 WeakPolarHBondContact O-CB 3.39Å; E254-Q258 PolarHBondContact O-N 3.22Å; V255-Q258 PolarHBondContact O-N 2.93Å; Y256-Q258 PolarHBondContact O-N 2.97Å; Q258-C261 WeakPolarHBondContact O-CB 3.41Å; Q258-C261 PolarHBondContact O-N 2.92Å
259L86.8Confident85.9Confident1 Ų144.7 Ų44.71%0.00524%0.242CC..Hα-helixtrans-65.7-42.8175.6-72.8170.4000111.5I174 F176 M228 L244 F246 V255 Y256 C261 T262I174-L259 HydrophobicContact CG2-CD2 4.38Å; F176-L259 HydrophobicContact CB-CD1 4.13Å; F176-L259 HydrophobicContact CD2-CD1 3.48Å; F176-L259 VanDerWaalsContact CD2-CD1 3.48Å; F176-L259 HydrophobicContact CE2-CD1 4.19Å; F176-L259 HydrophobicContact CG-CD1 4Å; M228-L259 HydrophobicContact CE-CD2 4.33Å; M228-L259 HydrophobicContact SD-CD2 3.73Å; L244-L259 HydrophobicContact CD1-CB 4.18Å; L244-L259 VanDerWaalsContact CD2-C 3.45Å; L244-L259 HydrophobicContact CD2-CB 3.96Å; L244-L259 WeakPolarHBondContact CD2-O 3.33Å; F246-L259 HydrophobicContact CE1-CB 4.22Å; F246-L259 HydrophobicContact CE1-CD1 3.76Å; F246-L259 HydrophobicContact CZ-CB 3.93Å; F246-L259 HydrophobicContact CZ-CD1 4.32Å; V255-L259 HydrophobicContact CG1-CD1 3.99Å; V255-L259 WeakPolarHBondContact O-CG 3.42Å; V255-L259 PolarHBondContact O-N 2.93Å; Y256-L259 PolarHBondContact O-N 3.33Å; L259-C261 PolarHBondContact O-N 3.44Å; L259-T262 VanDerWaalsContact O-CB 3.31Å; L259-T262 WeakPolarHBondContact O-CB 3.38Å; L259-T262 WeakPolarHBondContact O-CG2 3.47Å; L259-T262 PolarHBondContact O-N 3.02Å; L259-T262 PolarHBondContact O-OG1 3.38Å
260V87.7Confident86Confident4 Ų445.1 Ų45.12%0.02424%0.244CC..Hα-helixtrans-59.1-35.3177.3170.80000111.7L134 L244 F246 Y256 F257 T262 V263 V269L134-V260 HydrophobicContact CD2-CB 4.45Å; L134-V260 HydrophobicContact CD2-CG1 3.13Å; L244-V260 HydrophobicContact CD2-CB 4.38Å; L244-V260 HydrophobicContact CD2-CG2 3.97Å; F246-V260 HydrophobicContact CE2-CG2 3.78Å; F246-V260 HydrophobicContact CZ-CG2 3.99Å; Y256-V260 HydrophobicContact CD1-CG2 3.89Å; Y256-V260 HydrophobicContact CE1-CG2 3.58Å; Y256-V260 HydrophobicContact CG-CG2 4.48Å; Y256-V260 WeakPolarHBondContact O-CB 3.49Å; Y256-V260 WeakPolarHBondContact O-CG2 3.26Å; Y256-V260 PolarHBondContact O-N 2.91Å; F257-V260 PolarHBondContact O-N 3.35Å; V260-T262 PolarHBondContact O-N 3.42Å; V260-V263 WeakPolarHBondContact O-CB 3.35Å; V260-V263 PolarHBondContact O-N 3.28Å; V260-V269 HydrophobicContact CG1-CG2 4.33Å; V260-V269 HydrophobicContact CG2-CG1 4.34Å
261C82.1Confident86.2Confident62 Ų6245 Ų4542%0.41924%0.243SC..THydrogen-bonded Turntrans-64.5-14.2174.9-70.50000114.1F257 Q258 L259 V263F257-C261 PolarHBondContact O-N 3.48Å; F257-C261 PolarHBondContact O-SG 3.37Å; Q258-C261 WeakPolarHBondContact O-CB 3.41Å; Q258-C261 PolarHBondContact O-N 2.92Å; L259-C261 PolarHBondContact O-N 3.44Å; C261-V263 VanDerWaalsContact C-N 3.28Å
262T83.7Confident86.7Confident6 Ų640.8 Ų40.84%0.03721%0.214CC..THydrogen-bonded Turntrans-77.5-14.4173.371.80000112.5I174 T240 V241 L259 V260I174-T262 HydrophobicContact CD1-CG2 4.34Å; I174-T262 WeakPolarHBondContact CD1-OG1 3.34Å; T240-T262 CarbonylContact C-O 3.55Å; T240-T262 VanDerWaalsContact CA-O 3.22Å; T240-T262 WeakPolarHBondContact CA-O 3.06Å; V241-T262 PolarHBondContact N-O 2.77Å; L259-T262 VanDerWaalsContact O-CB 3.31Å; L259-T262 WeakPolarHBondContact O-CB 3.38Å; L259-T262 WeakPolarHBondContact O-CG2 3.47Å; L259-T262 PolarHBondContact O-N 3.02Å; L259-T262 PolarHBondContact O-OG1 3.38Å; V260-T262 PolarHBondContact O-N 3.42Å
263V87.6Confident87.3Confident19 Ų1934.3 Ų34.312%0.11519%0.186CC..EExtended strand (participates in β ladder)trans-81.5128.7-176.4-175.90000111V241 L244 V260 C261 V269V241-V263 HydrophobicContact CG2-CG2 4.14Å; L244-V263 HydrophobicContact CB-CG2 3.37Å; L244-V263 HydrophobicContact CD2-CG2 3.89Å; L244-V263 HydrophobicContact CG-CG2 4.3Å; V260-V263 WeakPolarHBondContact O-CB 3.35Å; V260-V263 PolarHBondContact O-N 3.28Å; C261-V263 VanDerWaalsContact C-N 3.28Å; V263-V269 HydrophobicContact CB-CG2 4.2Å; V263-V269 HydrophobicContact CG1-CG2 4.27Å; V263-V269 HydrophobicContact CG2-CG2 3.74Å
264G83Confident87.9Confident17 Ų1733.2 Ų33.218%0.17518%0.177CC..EExtended strand (participates in β ladder)trans-72.3175.4179.200000114V241 N266 G267V241-G264 PolarHBondContact O-N 3.42Å; V241-G264 VanDerWaalsContact O-N 3.09Å; G264-N266 VanDerWaalsContact C-N 3.3Å; G264-N266 PolarHBondContact O-N 2.74Å; G264-G267 PolarHBondContact O-N 2.96Å
265E80.2Confident88.7Confident144 Ų14431.4 Ų31.467%0.67317%0.166SC*.EExtended strand (participates in β ladder)trans-59.4-36.7-173.2-163.1-175.3172.900114.3S135 G136S135-E265 CarbonylContact C-O 3.58Å; S135-E265 VanDerWaalsContact OG-CA 3.25Å; S135-E265 WeakPolarHBondContact OG-CA 3.33Å; G136-E265 PolarHBondContact N-O 3.26Å
266N82.4Confident89Confident160 Ų16038.9 Ų38.986%0.85620%0.2SC*.EExtended strand (participates in β ladder)trans-100.510.9177-63.5-52.7000112.7G264G264-N266 VanDerWaalsContact C-N 3.3Å; G264-N266 PolarHBondContact O-N 2.74Å
267G88.6Confident89.3Confident3 Ų343.2 Ų43.23%0.03123%0.226CC..EExtended strand (participates in β ladder)trans-75.4174.2-176.800000113G136 K137 D242 G264G136-G267 CarbonylContact C-O 3.54Å; G136-G267 WeakPolarHBondContact CA-O 3.45Å; K137-G267 PolarHBondContact N-O 3.39Å; D242-G267 CarbonylContact O-C 3.53Å; D242-G267 WeakPolarHBondContact O-CA 3.29Å; G264-G267 PolarHBondContact O-N 2.96Å
268T92.3Very high89.8Confident23 Ų2341.2 Ų41.214%0.14122%0.217CC..EExtended strand (participates in β ladder)trans-129.9130177.6-57.70000110.6K137 L139 D242 H243 L244K137-T268 HydrophobicContact CB-CG2 4.49Å; K137-T268 CarbonylContact O-C 3.44Å; K137-T268 VanDerWaalsContact O-CA 3.27Å; K137-T268 WeakPolarHBondContact O-CA 3.46Å; K137-T268 WeakPolarHBondContact O-CG2 3.35Å; L139-T268 HydrophobicContact CD1-CG2 3.82Å; L139-T268 HydrophobicContact CG-CG2 4.26Å; D242-T268 PolarHBondContact O-N 3.19Å; H243-T268 WeakPolarHBondContact CA-O 3.27Å; L244-T268 PolarHBondContact N-O 2.79Å
269V93.9Very high90.4Very high1 Ų138.2 Ų38.21%0.00620%0.204CC..EExtended strand (participates in β ladder)trans-99.4110.4168.8-1790000108.1K137 H138 L139 L244 F246 V260 V263K137-V269 PolarHBondContact O-N 3.41Å; H138-V269 CarbonylContact C-O 3.57Å; H138-V269 WeakPolarHBondContact CA-O 3.37Å; L139-V269 PolarHBondContact N-O 3.39Å; L244-V269 HydrophobicContact CB-CG2 4.43Å; L244-V269 HydrophobicContact CD2-CG1 4.3Å; L244-V269 HydrophobicContact CD2-CG2 4.33Å; L244-V269 CarbonylContact O-C 3.5Å; L244-V269 WeakPolarHBondContact O-CA 3.43Å; F246-V269 HydrophobicContact CD2-CG1 3.96Å; F246-V269 HydrophobicContact CE2-CG1 3.82Å; V260-V269 HydrophobicContact CG1-CG2 4.33Å; V260-V269 HydrophobicContact CG2-CG1 4.34Å; V263-V269 HydrophobicContact CB-CG2 4.2Å; V263-V269 HydrophobicContact CG1-CG2 4.27Å; V263-V269 HydrophobicContact CG2-CG2 3.74Å
270T95.9Very high90.7Very high10 Ų1044.1 Ų44.16%0.06123%0.229CC..EExtended strand (participates in β ladder)trans-101.7122.7174-58.30000109.3L139 I141 I155 L244 I245 F246 L272L139-T270 CarbonylContact O-C 3.53Å; L139-T270 WeakPolarHBondContact O-CA 3.41Å; I141-T270 HydrophobicContact CD1-CG2 3.78Å; I155-T270 HydrophobicContact CD1-CG2 3.82Å; L244-T270 PolarHBondContact O-N 3.17Å; I245-T270 CarbonylContact C-O 3.51Å; I245-T270 WeakPolarHBondContact CA-O 3.27Å; F246-T270 PolarHBondContact N-O 3.21Å; T270-L272 HydrophobicContact CG2-CD2 4.33Å
271T96.6Very high90.9Very high1 Ų145.9 Ų45.91%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-116.8114.2179-53.90000109.9L139 V140 I141 F246 I249 I285L139-T271 PolarHBondContact O-N 3.38Å; V140-T271 WeakPolarHBondContact CA-O 3.43Å; V140-T271 HydrophobicContact CG1-CG2 4.48Å; I141-T271 PolarHBondContact N-O 2.89Å; F246-T271 HydrophobicContact CB-CG2 4.15Å; I249-T271 HydrophobicContact CD1-CG2 3.83Å; I249-T271 HydrophobicContact CG1-CG2 3.54Å; T271-I285 HydrophobicContact CG2-CD1 3.87Å; T271-I285 HydrophobicContact CG2-CG1 4.41Å
272L97.5Very high91.5Very high0 Ų042.9 Ų42.90%022%0.217CC..EExtended strand (participates in β ladder)trans-82.9114.2172-58.3-168.5000108.6I141 V143 K148 F151 M152 I155 F246 T270I141-L272 HydrophobicContact CB-CD2 4.23Å; I141-L272 HydrophobicContact CD1-CD2 4.41Å; V143-L272 HydrophobicContact CG1-CB 3.67Å; V143-L272 HydrophobicContact CG1-CD2 4.14Å; V143-L272 HydrophobicContact CG1-CG 4.31Å; K148-L272 HydrophobicContact CB-CD1 4.09Å; K148-L272 HydrophobicContact CD-CB 4.43Å; K148-L272 HydrophobicContact CG-CB 4.31Å; K148-L272 HydrophobicContact CG-CD1 4.24Å; F151-L272 HydrophobicContact CD1-CD2 3.52Å; F151-L272 HydrophobicContact CE1-CD2 3.97Å; F151-L272 HydrophobicContact CG-CD2 4.35Å; M152-L272 HydrophobicContact CG-CD1 4.19Å; M152-L272 HydrophobicContact SD-CD1 4.01Å; I155-L272 HydrophobicContact CD1-CD2 4.09Å; F246-L272 PolarHBondContact O-N 3.41Å; T270-L272 HydrophobicContact CG2-CD2 4.33Å
273Y97.6Very high91.8Very high0 Ų046 Ų460%023%0.233CC..EExtended strand (participates in β ladder)trans-118120.4-170.8179-89.3000110.3V140 I141 D142 V143 I249 R275 D278 I285 W299 L300 D303V140-Y273 HydrophobicContact CG1-CG 4.46Å; I141-Y273 PolarHBondContact O-N 3.13Å; D142-Y273 WeakPolarHBondContact CA-O 3.33Å; V143-Y273 PolarHBondContact N-O 3.4Å; V143-Y273 CarbonylContact O-C 3.58Å; I249-Y273 HydrophobicContact CD1-CD2 3.7Å; I249-Y273 HydrophobicContact CD1-CG 4.47Å; Y273-R275 HydrophobicContact CD1-CG 4.07Å; Y273-R275 HydrophobicContact CE1-CB 4.14Å; Y273-R275 HydrophobicContact CE1-CG 3.8Å; Y273-D278 HydrophobicContact CD2-CB 3.69Å; Y273-D278 HydrophobicContact CE2-CB 3.56Å; Y273-D278 WeakPolarHBondContact CE2-O 3.42Å; Y273-D278 HydrophobicContact CG-CB 4.43Å; Y273-I285 HydrophobicContact CD2-CD1 3.59Å; Y273-I285 HydrophobicContact CE2-CD1 4.07Å; Y273-W299 HydrophobicContact CD1-CE3 4.38Å; Y273-W299 HydrophobicContact CD1-CH2 4.12Å; Y273-W299 AromaticContact CD1-CZ3 3.49Å; Y273-W299 HydrophobicContact CD1-CZ3 3.49Å; Y273-W299 VanDerWaalsContact CD1-CZ3 3.49Å; Y273-W299 HydrophobicContact CE1-CE3 4.35Å; Y273-W299 AromaticContact CE1-CZ3 3.8Å; Y273-W299 HydrophobicContact CE1-CZ3 3.8Å; Y273-W299 HydrophobicContact CG-CZ3 4.16Å; Y273-L300 HydrophobicContact CD2-CD1 4.47Å; Y273-L300 HydrophobicContact CE2-CD1 4.12Å; Y273-D303 VanDerWaalsContact CE1-OD2 3.22Å; Y273-D303 WeakPolarHBondContact CE1-OD2 3.47Å; Y273-D303 WeakPolarHBondContact OH-CB 3.32Å; Y273-D303 PolarHBondContact OH-OD2 2.92Å
274D96.2Very high91.9Very high12 Ų1246.3 Ų46.36%0.06424%0.235CC..  trans-97.8117.4171-176.4-36.9000109.7V143 S145 H276 V277 D278V143-D274 VanDerWaalsContact O-CA 3.31Å; V143-D274 WeakPolarHBondContact O-CA 3.49Å; V143-D274 WeakPolarHBondContact O-CB 3.43Å; S145-D274 WeakPolarHBondContact CB-OD2 3.44Å; S145-D274 PolarHBondContact N-OD2 3.3Å; S145-D274 PolarHBondContact OG-OD2 3.15Å; D274-H276 PolarHBondContact O-N 2.83Å; D274-H276 VanDerWaalsContact O-N 3.1Å; D274-H276 WeakPolarHBondContact OD1-CB 3.3Å; D274-H276 IonicContact OD1-CD2 3.3Å; D274-H276 PolarHBondContact OD1-N 3.42Å; D274-V277 HydrophobicContact CB-CB 4.12Å; D274-V277 HydrophobicContact CB-CG2 4.29Å; D274-V277 PolarHBondContact O-N 3.17Å; D274-V277 VanDerWaalsContact O-N 3.16Å; D274-V277 PolarHBondContact OD1-N 3.27Å; D274-D278 PolarHBondContact N-OD2 3.03Å; D274-D278 WeakPolarHBondContact O-CB 3.36Å; D274-D278 PolarHBondContact O-N 2.93Å
275R93.8Very high92.3Very high58 Ų5845.5 Ų45.522%0.21923%0.226CC..THydrogen-bonded Turntrans-63.1-19.5-175.8-48.8-166.960.8177.6-5.7114.7D142 Y273 W299 D303D142-R275 VanDerWaalsContact OD1-CG 3.31Å; D142-R275 WeakPolarHBondContact OD1-CG 3.42Å; D142-R275 VanDerWaalsContact OD2-CD 3.23Å; D142-R275 WeakPolarHBondContact OD2-CD 3.33Å; Y273-R275 HydrophobicContact CD1-CG 4.07Å; Y273-R275 HydrophobicContact CE1-CB 4.14Å; Y273-R275 HydrophobicContact CE1-CG 3.8Å; R275-W299 VanDerWaalsContact CZ-CB 3.48Å; R275-W299 VanDerWaalsContact NH1-CB 3.32Å; R275-W299 PolarHBondContact NH2-O 3.32Å; R275-D303 IonicContact CZ-OD1 3.4Å; R275-D303 IonicContact NE-OD1 2.83Å; R275-D303 PolarHBondContact NE-OD1 3.36Å; R275-D303 IonicContact NE-OD2 2.98Å; R275-D303 PolarHBondContact NE-OD2 2.83Å; R275-D303 IonicContact NH2-OD1 2.7Å; R275-D303 PolarHBondContact NH2-OD1 3.22Å
276H90.6Very high92.8Very high178 Ų17839.4 Ų39.482%0.82420%0.198SC*.THydrogen-bonded Turntrans-89.7-33178.3-63.6-73.4000112.2D274D274-H276 PolarHBondContact O-N 2.83Å; D274-H276 VanDerWaalsContact O-N 3.1Å; D274-H276 WeakPolarHBondContact OD1-CB 3.3Å; D274-H276 IonicContact OD1-CD2 3.3Å; D274-H276 PolarHBondContact OD1-N 3.42Å
277V92.6Very high93Very high90 Ų9034.5 Ų34.555%0.54517%0.174SC..THydrogen-bonded Turntrans-95.2-43.6-174.9-178.90000111.7D274 L279D274-V277 HydrophobicContact CB-CB 4.12Å; D274-V277 HydrophobicContact CB-CG2 4.29Å; D274-V277 PolarHBondContact O-N 3.17Å; D274-V277 VanDerWaalsContact O-N 3.16Å; D274-V277 PolarHBondContact OD1-N 3.27Å; V277-L279 PolarHBondContact O-N 3.36Å
278D95.2Very high92.9Very high2 Ų234.3 Ų34.31%0.01117%0.172CC..SBendtrans-96.312.2-167.4-63.4-54.1000113.6K148 I249 Y273 D274 F280 K281 S282K148-D278 IonicContact NZ-OD2 2.83Å; I249-D278 HydrophobicContact CD1-CB 3.74Å; Y273-D278 HydrophobicContact CD2-CB 3.69Å; Y273-D278 HydrophobicContact CE2-CB 3.56Å; Y273-D278 WeakPolarHBondContact CE2-O 3.42Å; Y273-D278 HydrophobicContact CG-CB 4.43Å; D274-D278 PolarHBondContact N-OD2 3.03Å; D274-D278 WeakPolarHBondContact O-CB 3.36Å; D274-D278 PolarHBondContact O-N 2.93Å; D278-F280 VanDerWaalsContact C-N 3.29Å; D278-F280 PolarHBondContact O-N 2.85Å; D278-F280 VanDerWaalsContact O-N 3.16Å; D278-K281 HydrophobicContact CB-CD 4.42Å; D278-K281 WeakPolarHBondContact O-CA 3.48Å; D278-K281 WeakPolarHBondContact O-CB 3.44Å; D278-K281 PolarHBondContact O-N 3.43Å; D278-K281 WeakPolarHBondContact OD1-CD 3.38Å; D278-K281 IonicContact OD1-NZ 3.16Å; D278-K281 PolarHBondContact OD1-NZ 3Å; D278-S282 PolarHBondContact O-N 3.5Å
279L94Very high92.8Very high12 Ų1233.4 Ų33.46%0.06317%0.166CC..G310 helixtrans-48-48.3-176.8-179.465.2000112.7V277 K281 S282 D303 R306 A307 K310V277-L279 PolarHBondContact O-N 3.36Å; L279-K281 VanDerWaalsContact C-N 3.26Å; L279-K281 PolarHBondContact O-N 2.88Å; L279-S282 VanDerWaalsContact O-CB 3.24Å; L279-S282 WeakPolarHBondContact O-CB 3.22Å; L279-S282 PolarHBondContact O-N 2.83Å; L279-S282 PolarHBondContact O-OG 3.01Å; L279-D303 HydrophobicContact CD1-CB 3.87Å; L279-D303 VanDerWaalsContact CD1-O 3.25Å; L279-D303 WeakPolarHBondContact CD1-O 3.33Å; L279-R306 HydrophobicContact CD1-CB 4.14Å; L279-A307 HydrophobicContact CD1-CB 4.46Å; L279-A307 HydrophobicContact CG-CB 4.24Å; L279-A307 WeakPolarHBondContact O-CB 3.49Å; L279-K310 HydrophobicContact CD2-CD 3.82Å
280F92.3Very high92.4Very high125 Ų12539.7 Ų39.755%0.54819%0.194SC..G310 helixtrans-74.2-15.3-178.6-65.9-70.8000113.9D278 A307 K310D278-F280 VanDerWaalsContact C-N 3.29Å; D278-F280 PolarHBondContact O-N 2.85Å; D278-F280 VanDerWaalsContact O-N 3.16Å; F280-A307 HydrophobicContact CD1-CB 4.33Å; F280-K310 HydrophobicContact CE1-CB 3.96Å; F280-K310 HydrophobicContact CZ-CB 4.06Å; F280-K310 HydrophobicContact CZ-CD 4.37Å
281K93.4Very high91.6Very high40 Ų4042 Ų4217%0.17421%0.206CC..G310 helixtrans-89.3-9.8176.4-51.8177.7-168.1164.40112.4I249 D278 L279 L283 T284 I285I249-K281 HydrophobicContact CB-CB 4.43Å; I249-K281 HydrophobicContact CB-CD 3.62Å; I249-K281 HydrophobicContact CG2-CB 3.82Å; I249-K281 HydrophobicContact CG2-CD 3.67Å; I249-K281 HydrophobicContact CG2-CG 4.3Å; I249-K281 WeakPolarHBondContact O-CD 3.44Å; I249-K281 WeakPolarHBondContact O-CE 3.42Å; I249-K281 PolarHBondContact O-NZ 3.04Å; D278-K281 HydrophobicContact CB-CD 4.42Å; D278-K281 WeakPolarHBondContact O-CA 3.48Å; D278-K281 WeakPolarHBondContact O-CB 3.44Å; D278-K281 PolarHBondContact O-N 3.43Å; D278-K281 WeakPolarHBondContact OD1-CD 3.38Å; D278-K281 IonicContact OD1-NZ 3.16Å; D278-K281 PolarHBondContact OD1-NZ 3Å; L279-K281 VanDerWaalsContact C-N 3.26Å; L279-K281 PolarHBondContact O-N 2.88Å; K281-L283 VanDerWaalsContact C-N 3.28Å; K281-L283 PolarHBondContact O-N 3.1Å; K281-T284 WeakPolarHBondContact O-CB 3.24Å; K281-T284 PolarHBondContact O-N 3.46Å; K281-T284 VanDerWaalsContact O-N 3.17Å; K281-I285 PolarHBondContact O-N 2.99Å
282S93.6Very high91Very high0 Ų042.7 Ų42.70%021%0.212CC..Hα-helixtrans-55.4-37.8179.262.10000113.6D278 L279 T284 I285 L286 S304D278-S282 PolarHBondContact O-N 3.5Å; L279-S282 VanDerWaalsContact O-CB 3.24Å; L279-S282 WeakPolarHBondContact O-CB 3.22Å; L279-S282 PolarHBondContact O-N 2.83Å; L279-S282 PolarHBondContact O-OG 3.01Å; S282-T284 VanDerWaalsContact C-N 3.34Å; S282-T284 PolarHBondContact O-N 2.89Å; S282-I285 PolarHBondContact O-N 2.94Å; S282-L286 WeakPolarHBondContact O-CB 3.39Å; S282-L286 PolarHBondContact O-N 3.28Å; S282-S304 VanDerWaalsContact OG-CA 3.28Å; S282-S304 WeakPolarHBondContact OG-CA 3.28Å; S282-S304 PolarHBondContact OG-N 3.11Å
283L89.8Confident90.4Very high71 Ų7151.2 Ų51.237%0.37225%0.249SC..Hα-helixtrans-62.7-38.5179.1-70.7171.7000112.6K281 T287 V308K281-L283 VanDerWaalsContact C-N 3.28Å; K281-L283 PolarHBondContact O-N 3.1Å; L283-T287 WeakPolarHBondContact O-CB 3.31Å; L283-T287 PolarHBondContact O-N 2.76Å; L283-T287 PolarHBondContact O-OG1 2.6Å; L283-V308 HydrophobicContact CD1-CG2 3.97Å; L283-V308 HydrophobicContact CD2-CG2 3.97Å
284T89.8Confident90Very high26 Ų2653.5 Ų53.516%0.1626%0.259CS..Hα-helixtrans-62.2-49.1176.2-57.60000110.3Y256 F257 K281 S282 T287 A288Y256-T284 HydrophobicContact CD1-CG2 3.69Å; Y256-T284 HydrophobicContact CE1-CG2 4.41Å; Y256-T284 HydrophobicContact CG-CG2 3.83Å; F257-T284 HydrophobicContact CE2-CG2 3.91Å; F257-T284 HydrophobicContact CZ-CG2 4.13Å; K281-T284 WeakPolarHBondContact O-CB 3.24Å; K281-T284 PolarHBondContact O-N 3.46Å; K281-T284 VanDerWaalsContact O-N 3.17Å; S282-T284 VanDerWaalsContact C-N 3.34Å; S282-T284 PolarHBondContact O-N 2.89Å; T284-T287 WeakPolarHBondContact O-CB 3.37Å; T284-T287 PolarHBondContact O-N 2.85Å; T284-A288 PolarHBondContact O-N 3.31Å
285I92Very high89.7Confident0 Ų062.3 Ų62.30%030%0.297CS..Hα-helixtrans-65.9-43.2-179.3-56.6167000110.7V140 I249 Y256 T271 Y273 K281 S282 T287 A288 L289 L300V140-I285 HydrophobicContact CG1-CG2 4.15Å; V140-I285 HydrophobicContact CG2-CG2 3.53Å; I249-I285 HydrophobicContact CD1-CD1 3.64Å; I249-I285 HydrophobicContact CG1-CD1 4.15Å; I249-I285 HydrophobicContact CG2-CD1 4.48Å; Y256-I285 HydrophobicContact CE2-CG1 4.33Å; T271-I285 HydrophobicContact CG2-CD1 3.87Å; T271-I285 HydrophobicContact CG2-CG1 4.41Å; Y273-I285 HydrophobicContact CD2-CD1 3.59Å; Y273-I285 HydrophobicContact CE2-CD1 4.07Å; K281-I285 PolarHBondContact O-N 2.99Å; S282-I285 PolarHBondContact O-N 2.94Å; I285-T287 VanDerWaalsContact C-N 3.27Å; I285-T287 PolarHBondContact O-N 2.87Å; I285-A288 PolarHBondContact O-N 3.24Å; I285-L289 HydrophobicContact CG2-CD1 4.13Å; I285-L289 WeakPolarHBondContact O-CG 3.41Å; I285-L289 PolarHBondContact O-N 3.43Å; I285-L300 HydrophobicContact CB-CD2 4.31Å; I285-L300 HydrophobicContact CG2-CD2 3.78Å
286L90.4Very high89.6Confident16 Ų1661 Ų618%0.08430%0.296CS..Hα-helixtrans-60.4-40.4177.1-17666.3000111.1S282 K290 P296 S304S282-L286 WeakPolarHBondContact O-CB 3.39Å; S282-L286 PolarHBondContact O-N 3.28Å; L286-K290 HydrophobicContact CG-CD 4.4Å; L286-K290 WeakPolarHBondContact O-CB 3.49Å; L286-K290 VanDerWaalsContact O-CG 3.3Å; L286-K290 WeakPolarHBondContact O-CG 3.41Å; L286-K290 PolarHBondContact O-N 2.86Å; L286-P296 HydrophobicContact CD1-CB 3.64Å; L286-P296 HydrophobicContact CD1-CG 3.75Å; L286-S304 WeakPolarHBondContact CD2-OG 3.45Å
287T86.5Confident89.7Confident56 Ų5654.1 Ų54.134%0.34427%0.267SS..Hα-helixtrans-64.7-45.1176.3-59.30000111F257 L283 T284 I285 L289 K290 N291F257-T287 HydrophobicContact CZ-CG2 3.95Å; L283-T287 WeakPolarHBondContact O-CB 3.31Å; L283-T287 PolarHBondContact O-N 2.76Å; L283-T287 PolarHBondContact O-OG1 2.6Å; T284-T287 WeakPolarHBondContact O-CB 3.37Å; T284-T287 PolarHBondContact O-N 2.85Å; I285-T287 VanDerWaalsContact C-N 3.27Å; I285-T287 PolarHBondContact O-N 2.87Å; T287-L289 PolarHBondContact O-N 3.17Å; T287-K290 PolarHBondContact O-N 3.48Å; T287-N291 WeakPolarHBondContact O-CB 3.36Å; T287-N291 PolarHBondContact O-N 3.44Å; T287-N291 PolarHBondContact O-ND2 3.14Å
288A86.9Confident89.8Confident0 Ų059 Ų590%028%0.277CS..Hα-helixtrans-59.7-46.4176.100000112.6L134 Y256 F257 T284 I285 K290 N291 A292L134-A288 WeakPolarHBondContact CD1-O 3.27Å; Y256-A288 HydrophobicContact CE1-CB 3.59Å; F257-A288 HydrophobicContact CE1-CB 3.83Å; T284-A288 PolarHBondContact O-N 3.31Å; I285-A288 PolarHBondContact O-N 3.24Å; A288-K290 PolarHBondContact O-N 2.85Å; A288-N291 PolarHBondContact O-N 3.22Å; A288-A292 WeakPolarHBondContact O-CB 3.42Å; A288-A292 PolarHBondContact O-N 2.83Å
289L89.4Confident89.7Confident3 Ų360.1 Ų60.12%0.01628%0.281CS..Hα-helixtrans-61.8-43.2177-73.2167.8000112.5H138 V140 I285 T287 N291 A292 K293 Q294 P296 L300H138-L289 HydrophobicContact CB-CD2 3.42Å; H138-L289 VanDerWaalsContact CB-CD2 3.42Å; V140-L289 HydrophobicContact CG2-CD1 3.84Å; V140-L289 HydrophobicContact CG2-CD2 4.44Å; V140-L289 HydrophobicContact CG2-CG 4.45Å; I285-L289 HydrophobicContact CG2-CD1 4.13Å; I285-L289 WeakPolarHBondContact O-CG 3.41Å; I285-L289 PolarHBondContact O-N 3.43Å; T287-L289 PolarHBondContact O-N 3.17Å; L289-N291 VanDerWaalsContact C-N 3.34Å; L289-N291 PolarHBondContact O-N 3.32Å; L289-A292 CarbonylContact O-C 3.55Å; L289-A292 PolarHBondContact O-N 3.41Å; L289-K293 PolarHBondContact O-N 3.16Å; L289-K293 VanDerWaalsContact O-N 3.1Å; L289-Q294 HydrophobicContact CD2-CB 4.02Å; L289-Q294 PolarHBondContact O-N 3.48Å; L289-P296 HydrophobicContact CD1-CB 3.88Å; L289-L300 HydrophobicContact CD1-CD2 3.56Å
290K85.6Confident89.8Confident133 Ų13359.6 Ų59.658%0.57828%0.278SS*.Hα-helixtrans-61.2-43.7175.6-77.3176.7178.21780111.5L286 T287 A288 A292 K293L286-K290 HydrophobicContact CG-CD 4.4Å; L286-K290 WeakPolarHBondContact O-CB 3.49Å; L286-K290 VanDerWaalsContact O-CG 3.3Å; L286-K290 WeakPolarHBondContact O-CG 3.41Å; L286-K290 PolarHBondContact O-N 2.86Å; T287-K290 PolarHBondContact O-N 3.48Å; A288-K290 PolarHBondContact O-N 2.85Å; K290-A292 VanDerWaalsContact C-N 3.3Å; K290-A292 PolarHBondContact O-N 2.8Å; K290-K293 WeakPolarHBondContact O-CA 3.47Å; K290-K293 PolarHBondContact O-N 3.16Å
291N80.6Confident89.8Confident58 Ų5855.9 Ų55.931%0.3127%0.267SS..Hα-helixtrans-64.2-37.2177.6-68.2-17.2000111.6L126 L134 T287 A288 L289 K293L126-N291 WeakPolarHBondContact CD2-ND2 3.41Å; L134-N291 HydrophobicContact CD1-CB 3.41Å; L134-N291 VanDerWaalsContact CD1-CB 3.41Å; T287-N291 WeakPolarHBondContact O-CB 3.36Å; T287-N291 PolarHBondContact O-N 3.44Å; T287-N291 PolarHBondContact O-ND2 3.14Å; A288-N291 PolarHBondContact O-N 3.22Å; L289-N291 VanDerWaalsContact C-N 3.34Å; L289-N291 PolarHBondContact O-N 3.32Å; N291-K293 PolarHBondContact O-N 2.74Å
292A83Confident89.8Confident16 Ų1657.7 Ų57.713%0.13228%0.279CS..THydrogen-bonded Turntrans-74.7-2.3173.500000113.8L134 A288 L289 K290 Q294L134-A292 HydrophobicContact CB-CB 3.52Å; L134-A292 HydrophobicContact CD1-CB 4.05Å; L134-A292 HydrophobicContact CG-CB 4.45Å; A288-A292 WeakPolarHBondContact O-CB 3.42Å; A288-A292 PolarHBondContact O-N 2.83Å; L289-A292 CarbonylContact O-C 3.55Å; L289-A292 PolarHBondContact O-N 3.41Å; K290-A292 VanDerWaalsContact C-N 3.3Å; K290-A292 PolarHBondContact O-N 2.8Å; A292-Q294 HydrophobicContact CB-CB 4.42Å; A292-Q294 HydrophobicContact CB-CG 3.98Å; A292-Q294 PolarHBondContact O-N 3.1Å
293K85.4Confident89.8Confident180 Ų18057.7 Ų57.778%0.78328%0.279SS*.THydrogen-bonded Turntrans54.330.4-172.3-55.7175.9-176.7168.70112.8L289 K290 N291L289-K293 PolarHBondContact O-N 3.16Å; L289-K293 VanDerWaalsContact O-N 3.1Å; K290-K293 WeakPolarHBondContact O-CA 3.47Å; K290-K293 PolarHBondContact O-N 3.16Å; N291-K293 PolarHBondContact O-N 2.74Å
294Q88.3Confident89.9Confident47 Ų4754.5 Ų54.522%0.2226%0.263CS..PPolyproline II helixtrans-97.5143.6178.3-66.2-174.847.200110.3G136 H138 L289 A292 P296G136-Q294 PolarHBondContact O-NE2 3.31Å; H138-Q294 PolarHBondContact CD2-NE2 3.32Å; H138-Q294 PolarHBondContact O-OE1 2.98Å; L289-Q294 HydrophobicContact CD2-CB 4.02Å; L289-Q294 PolarHBondContact O-N 3.48Å; A292-Q294 HydrophobicContact CB-CB 4.42Å; A292-Q294 HydrophobicContact CB-CG 3.98Å; A292-Q294 PolarHBondContact O-N 3.1Å; Q294-P296 WeakPolarHBondContact O-CD 3.36Å
295K90.7Very high89.9Confident198 Ų19858.9 Ų58.986%0.86128%0.284SS*.PPolyproline II helixtrans-74.1118.7-178.1-174.9178.2179.1-179.20109.3
296P91.1Very high89.8Confident30 Ų3063.9 Ų63.920%0.19530%0.303CS..PPolyproline II helixtrans-69.6149.2176.629.3-34.9000111.5L286 L289 Q294 L300 C301L286-P296 HydrophobicContact CD1-CB 3.64Å; L286-P296 HydrophobicContact CD1-CG 3.75Å; L289-P296 HydrophobicContact CD1-CB 3.88Å; Q294-P296 WeakPolarHBondContact O-CD 3.36Å; P296-L300 HydrophobicContact CB-CD2 4.45Å; P296-C301 VanDerWaalsContact CG-SG 3.58Å
297P93.5Very high89.7Confident33 Ų3363.1 Ų63.121%0.21430%0.3CS..PPolyproline II helixtrans-57142.1167.4-21.632.6000110.8V140 W299 L300 C301V140-P297 HydrophobicContact CB-CG 4.42Å; P297-W299 HydrophobicContact CB-CD2 3.85Å; P297-W299 HydrophobicContact CB-CG 4.18Å; P297-W299 HydrophobicContact CB-CH2 4.37Å; P297-W299 HydrophobicContact CB-CZ2 3.63Å; P297-W299 HydrophobicContact CG-CH2 4.27Å; P297-W299 HydrophobicContact CG-CZ2 3.72Å; P297-W299 PolarHBondContact O-N 3.3Å; P297-L300 HydrophobicContact CB-CB 4.36Å; P297-L300 WeakPolarHBondContact O-CB 3.46Å; P297-L300 PolarHBondContact O-N 3.24Å; P297-C301 PolarHBondContact O-N 2.61Å
298Y93.4Very high89.5Confident192 Ų19263.3 Ų63.375%0.75330%0.3SS*.Hα-helixtrans-56.8-39-176.971.2-88000112.2L300 C301 D302Y298-L300 VanDerWaalsContact C-N 3.31Å; Y298-L300 PolarHBondContact O-N 3.17Å; Y298-C301 WeakPolarHBondContact O-CB 3.23Å; Y298-C301 PolarHBondContact O-N 3.44Å; Y298-D302 PolarHBondContact O-N 2.8Å
299W94.5Very high89.4Confident27 Ų2767.6 Ų67.610%0.10233%0.326CS..Hα-helixtrans-69.5-28.4-178.651.3-106.9000112.8V140 D142 Y273 R275 P297 C301 D302 D303V140-W299 HydrophobicContact CB-CH2 4.3Å; V140-W299 HydrophobicContact CG1-CH2 3.73Å; V140-W299 HydrophobicContact CG1-CZ3 4.42Å; D142-W299 HydrophobicContact CB-CH2 4.05Å; D142-W299 HydrophobicContact CB-CZ2 3.79Å; Y273-W299 HydrophobicContact CD1-CE3 4.38Å; Y273-W299 HydrophobicContact CD1-CH2 4.12Å; Y273-W299 AromaticContact CD1-CZ3 3.49Å; Y273-W299 HydrophobicContact CD1-CZ3 3.49Å; Y273-W299 VanDerWaalsContact CD1-CZ3 3.49Å; Y273-W299 HydrophobicContact CE1-CE3 4.35Å; Y273-W299 AromaticContact CE1-CZ3 3.8Å; Y273-W299 HydrophobicContact CE1-CZ3 3.8Å; Y273-W299 HydrophobicContact CG-CZ3 4.16Å; R275-W299 VanDerWaalsContact CZ-CB 3.48Å; R275-W299 VanDerWaalsContact NH1-CB 3.32Å; R275-W299 PolarHBondContact NH2-O 3.32Å; P297-W299 HydrophobicContact CB-CD2 3.85Å; P297-W299 HydrophobicContact CB-CG 4.18Å; P297-W299 HydrophobicContact CB-CH2 4.37Å; P297-W299 HydrophobicContact CB-CZ2 3.63Å; P297-W299 HydrophobicContact CG-CH2 4.27Å; P297-W299 HydrophobicContact CG-CZ2 3.72Å; P297-W299 PolarHBondContact O-N 3.3Å; W299-C301 VanDerWaalsContact C-N 3.35Å; W299-D302 PolarHBondContact O-N 3.33Å; W299-D303 VanDerWaalsContact O-CG 3.3Å; W299-D303 PolarHBondContact O-N 3.45Å
300L95.2Very high89Confident0 Ų073 Ų730%035%0.35CS..Hα-helixtrans-70.7-35.7177.1-176.666.9000110.9V140 Y273 I285 L289 P296 P297 Y298 D303 S304V140-L300 HydrophobicContact CG2-CD2 4.49Å; Y273-L300 HydrophobicContact CD2-CD1 4.47Å; Y273-L300 HydrophobicContact CE2-CD1 4.12Å; I285-L300 HydrophobicContact CB-CD2 4.31Å; I285-L300 HydrophobicContact CG2-CD2 3.78Å; L289-L300 HydrophobicContact CD1-CD2 3.56Å; P296-L300 HydrophobicContact CB-CD2 4.45Å; P297-L300 HydrophobicContact CB-CB 4.36Å; P297-L300 WeakPolarHBondContact O-CB 3.46Å; P297-L300 PolarHBondContact O-N 3.24Å; Y298-L300 VanDerWaalsContact C-N 3.31Å; Y298-L300 PolarHBondContact O-N 3.17Å; L300-D303 PolarHBondContact O-N 3.2Å; L300-S304 WeakPolarHBondContact O-CB 3.46Å; L300-S304 PolarHBondContact O-N 2.92Å; L300-S304 PolarHBondContact O-OG 3.48Å
301C92.9Very high88.4Confident47 Ų4770.3 Ų70.332%0.31835%0.348SS..Hα-helixtrans-63.6-42.5173.3-650000111.6P296 P297 Y298 W299 S304 L305P296-C301 VanDerWaalsContact CG-SG 3.58Å; P297-C301 PolarHBondContact O-N 2.61Å; Y298-C301 WeakPolarHBondContact O-CB 3.23Å; Y298-C301 PolarHBondContact O-N 3.44Å; W299-C301 VanDerWaalsContact C-N 3.35Å; C301-S304 PolarHBondContact O-N 3.41Å; C301-L305 WeakPolarHBondContact O-CG 3.4Å; C301-L305 PolarHBondContact O-N 2.96Å
302D93.3Very high87.5Confident78 Ų7873.9 Ų73.942%0.41737%0.367SS..Hα-helixtrans-64-44.8176.2-17651.4000111.5Y298 W299 S304 L305 R306Y298-D302 PolarHBondContact O-N 2.8Å; W299-D302 PolarHBondContact O-N 3.33Å; D302-S304 VanDerWaalsContact C-N 3.32Å; D302-S304 PolarHBondContact O-N 3.38Å; D302-L305 PolarHBondContact O-N 3.37Å; D302-R306 WeakPolarHBondContact O-CG 3.31Å; D302-R306 PolarHBondContact O-N 3.05Å; D302-R306 IonicContact OD2-NE 3.57Å
303D93.7Very high85.9Confident0 Ų082.3 Ų82.30%041%0.409CS..Hα-helixtrans-60.1-42.2174.9-73.722.2000112.1Y273 R275 L279 W299 L300 L305 R306 A307Y273-D303 VanDerWaalsContact CE1-OD2 3.22Å; Y273-D303 WeakPolarHBondContact CE1-OD2 3.47Å; Y273-D303 WeakPolarHBondContact OH-CB 3.32Å; Y273-D303 PolarHBondContact OH-OD2 2.92Å; R275-D303 IonicContact CZ-OD1 3.4Å; R275-D303 IonicContact NE-OD1 2.83Å; R275-D303 PolarHBondContact NE-OD1 3.36Å; R275-D303 IonicContact NE-OD2 2.98Å; R275-D303 PolarHBondContact NE-OD2 2.83Å; R275-D303 IonicContact NH2-OD1 2.7Å; R275-D303 PolarHBondContact NH2-OD1 3.22Å; L279-D303 HydrophobicContact CD1-CB 3.87Å; L279-D303 VanDerWaalsContact CD1-O 3.25Å; L279-D303 WeakPolarHBondContact CD1-O 3.33Å; W299-D303 VanDerWaalsContact O-CG 3.3Å; W299-D303 PolarHBondContact O-N 3.45Å; L300-D303 PolarHBondContact O-N 3.2Å; D303-L305 VanDerWaalsContact C-N 3.34Å; D303-L305 PolarHBondContact O-N 3.49Å; D303-R306 PolarHBondContact O-N 3.04Å; D303-R306 IonicContact OD1-CZ 3.57Å; D303-R306 IonicContact OD1-NE 3.76Å; D303-R306 IonicContact OD1-NH2 2.62Å; D303-R306 PolarHBondContact OD1-NH2 3.3Å; D303-R306 IonicContact OD2-NH2 3.87Å; D303-A307 WeakPolarHBondContact O-CB 3.45Å; D303-A307 PolarHBondContact O-N 3.44Å
304S91Very high85.9Confident4 Ų477.5 Ų77.53%0.02839%0.39CS..Hα-helixtrans-62.3-41176.9-60.30000112S282 L286 L300 C301 D302 A307 V308S282-S304 VanDerWaalsContact OG-CA 3.28Å; S282-S304 WeakPolarHBondContact OG-CA 3.28Å; S282-S304 PolarHBondContact OG-N 3.11Å; L286-S304 WeakPolarHBondContact CD2-OG 3.45Å; L300-S304 WeakPolarHBondContact O-CB 3.46Å; L300-S304 PolarHBondContact O-N 2.92Å; L300-S304 PolarHBondContact O-OG 3.48Å; C301-S304 PolarHBondContact O-N 3.41Å; D302-S304 VanDerWaalsContact C-N 3.32Å; D302-S304 PolarHBondContact O-N 3.38Å; S304-A307 PolarHBondContact O-N 2.62Å; S304-V308 WeakPolarHBondContact O-CG2 3.43Å; S304-V308 PolarHBondContact O-N 2.7Å
305L90.2Very high85.8Confident118 Ų11879.1 Ų79.162%0.61840%0.399SS*.Hα-helixtrans-65-43.7174-71.2170.5000111.3C301 D302 D303 A307 V308 V309C301-L305 WeakPolarHBondContact O-CG 3.4Å; C301-L305 PolarHBondContact O-N 2.96Å; D302-L305 PolarHBondContact O-N 3.37Å; D303-L305 VanDerWaalsContact C-N 3.34Å; D303-L305 PolarHBondContact O-N 3.49Å; L305-A307 VanDerWaalsContact C-N 3.31Å; L305-A307 PolarHBondContact O-N 3.22Å; L305-V308 PolarHBondContact O-N 2.82Å; L305-V309 WeakPolarHBondContact O-CG2 3.37Å; L305-V309 PolarHBondContact O-N 3.22Å; L305-V309 VanDerWaalsContact O-N 3.09Å
306R89.9Confident85.5Confident105 Ų10572.4 Ų72.440%0.39637%0.373SS..Hα-helixtrans-63.4-35.6177.1-70.6-171.1-65159.70.8112.5L279 D302 D303 K310L279-R306 HydrophobicContact CD1-CB 4.14Å; D302-R306 WeakPolarHBondContact O-CG 3.31Å; D302-R306 PolarHBondContact O-N 3.05Å; D302-R306 IonicContact OD2-NE 3.57Å; D303-R306 PolarHBondContact O-N 3.04Å; D303-R306 IonicContact OD1-CZ 3.57Å; D303-R306 IonicContact OD1-NE 3.76Å; D303-R306 IonicContact OD1-NH2 2.62Å; D303-R306 PolarHBondContact OD1-NH2 3.3Å; D303-R306 IonicContact OD2-NH2 3.87Å; R306-K310 WeakPolarHBondContact O-CB 3.35Å; R306-K310 WeakPolarHBondContact O-CG 3.25Å; R306-K310 PolarHBondContact O-N 3.46Å
307A88.9Confident85.2Confident1 Ų174.9 Ų74.91%0.00838%0.384CS..Hα-helixtrans-63.6-44.8176.100000111.6L279 F280 D303 S304 L305 K310 S311L279-A307 HydrophobicContact CD1-CB 4.46Å; L279-A307 HydrophobicContact CG-CB 4.24Å; L279-A307 WeakPolarHBondContact O-CB 3.49Å; F280-A307 HydrophobicContact CD1-CB 4.33Å; D303-A307 WeakPolarHBondContact O-CB 3.45Å; D303-A307 PolarHBondContact O-N 3.44Å; S304-A307 PolarHBondContact O-N 2.62Å; L305-A307 VanDerWaalsContact C-N 3.31Å; L305-A307 PolarHBondContact O-N 3.22Å; A307-K310 PolarHBondContact O-N 2.92Å; A307-S311 PolarHBondContact O-N 3.13Å; A307-S311 PolarHBondContact O-OG 3.42Å
308V83.3Confident84.7Confident59 Ų5977.6 Ų77.636%0.35840%0.395SS..Hα-helixtrans-61.5-47.7176.31750000111.1L283 S304 L305 K310 S311 D312L283-V308 HydrophobicContact CD1-CG2 3.97Å; L283-V308 HydrophobicContact CD2-CG2 3.97Å; S304-V308 WeakPolarHBondContact O-CG2 3.43Å; S304-V308 PolarHBondContact O-N 2.7Å; L305-V308 PolarHBondContact O-N 2.82Å; V308-K310 VanDerWaalsContact C-N 3.28Å; V308-K310 PolarHBondContact O-N 3.02Å; V308-S311 WeakPolarHBondContact CA-OG 3.42Å; V308-S311 PolarHBondContact O-N 3.21Å; V308-S311 PolarHBondContact O-OG 3.3Å; V308-D312 PolarHBondContact O-N 3.09Å
309V83.9Confident84.1Confident90 Ų9069.9 Ų69.955%0.54537%0.371SS..Hα-helixtrans-62.6-36.5179.5174.90000111.7L305 L313L305-V309 WeakPolarHBondContact O-CG2 3.37Å; L305-V309 PolarHBondContact O-N 3.22Å; L305-V309 VanDerWaalsContact O-N 3.09Å; V309-L313 HydrophobicContact CG1-CD1 4.46Å; V309-L313 WeakPolarHBondContact O-CG 3.48Å
310K80.9Confident83.4Confident116 Ų11673 Ų7350%0.50439%0.39SS..Hα-helixtrans-76.1-24.3177.3-78.9-169.7-179.9-176.20114L279 F280 R306 A307 V308 D312L279-K310 HydrophobicContact CD2-CD 3.82Å; F280-K310 HydrophobicContact CE1-CB 3.96Å; F280-K310 HydrophobicContact CZ-CB 4.06Å; F280-K310 HydrophobicContact CZ-CD 4.37Å; R306-K310 WeakPolarHBondContact O-CB 3.35Å; R306-K310 WeakPolarHBondContact O-CG 3.25Å; R306-K310 PolarHBondContact O-N 3.46Å; A307-K310 PolarHBondContact O-N 2.92Å; V308-K310 VanDerWaalsContact C-N 3.28Å; V308-K310 PolarHBondContact O-N 3.02Å; K310-D312 VanDerWaalsContact C-N 3.34Å
311S73.3Confident82.5Confident77 Ų7778.6 Ų78.654%0.53842%0.42SS..Hα-helixtrans-77.9-22.517555.40000112.9A307 V308 L313A307-S311 PolarHBondContact O-N 3.13Å; A307-S311 PolarHBondContact O-OG 3.42Å; V308-S311 WeakPolarHBondContact CA-OG 3.42Å; V308-S311 PolarHBondContact O-N 3.21Å; V308-S311 PolarHBondContact O-OG 3.3Å; S311-L313 VanDerWaalsContact C-N 3.35Å
312D60.4Low81.6Confident133 Ų13381.3 Ų81.371%0.71143%0.428SS*.  trans-83.5-10.2177-67.9-22.2000113.3V308 K310V308-D312 PolarHBondContact O-N 3.09Å; K310-D312 VanDerWaalsContact C-N 3.34Å
313L50.6Low80.5Confident194 Ų19481.5 Ų81.5100%1.01643%0.429SS*.  trans-99.70179.3-73.8168000111.6V309 S311V309-L313 HydrophobicContact CG1-CD1 4.46Å; V309-L313 WeakPolarHBondContact O-CG 3.48Å; S311-L313 VanDerWaalsContact C-N 3.35Å

Retrieved 313 of 313 residues in 378.4 ms (Link to these results)

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