A0A077ZC32_TRITR Loading...

Helicase C and DEAD domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZC32, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 344 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
1M55.8Low79.4Confident166 Ų16678.5 Ų78.582%0.81840%0.398SS*.  01450-82-167-100.600108.8Q6 L9M1-Q6 HydrophobicContact CB-CG 3.82Å; M1-Q6 HydrophobicContact SD-CG 4.24Å; M1-L9 HydrophobicContact CE-CD1 4.35Å; M1-L9 HydrophobicContact SD-CD1 3.85Å
2N72.7Confident79.9Confident111 Ų11179.3 Ų79.359%0.59442%0.416SS*.  trans-78.9155.1171.9-171.7-6.7000109.1K4 S5 Q6N2-K4 PolarHBondContact O-N 3.33Å; N2-S5 PolarHBondContact N-OG 3.47Å; N2-S5 PolarHBondContact O-N 3.42Å; N2-S5 VanDerWaalsContact O-N 3.13Å; N2-S5 PolarHBondContact O-OG 2.95Å; N2-Q6 PolarHBondContact O-N 3.48Å
3L73.5Confident80.3Confident41 Ų4181.3 Ų81.322%0.21544%0.439CS..Hα-helixtrans-52.7-42.9178.7-165.377.9000111.5S5 Q6 M7 D26L3-S5 PolarHBondContact O-N 3.22Å; L3-Q6 WeakPolarHBondContact O-CB 3.41Å; L3-Q6 PolarHBondContact O-N 3.14Å; L3-M7 HydrophobicContact CD2-SD 4.35Å; L3-M7 HydrophobicContact CG-SD 4.22Å; L3-M7 VanDerWaalsContact O-CG 3.26Å; L3-M7 WeakPolarHBondContact O-CG 3.28Å; L3-M7 PolarHBondContact O-N 2.75Å; L3-D26 VanDerWaalsContact CD1-OD2 3.29Å; L3-D26 WeakPolarHBondContact CD1-OD2 3.22Å
4K77.3Confident80.9Confident122 Ų12279.4 Ų79.453%0.5343%0.433SS..Hα-helixtrans-59.8-41.4178.9-69.7-166.5175.2-164.70113.4N2 Q6 M7 A8N2-K4 PolarHBondContact O-N 3.33Å; K4-Q6 VanDerWaalsContact C-N 3.35Å; K4-M7 PolarHBondContact O-N 3.48Å; K4-A8 PolarHBondContact O-N 3.42Å; K4-A8 VanDerWaalsContact O-N 3.09Å
5S81.6Confident81.6Confident49 Ų4985.5 Ų85.534%0.34347%0.465SS..Hα-helixtrans-70.6-35.5178.5660000111.3N2 L3 A8 L9N2-S5 PolarHBondContact N-OG 3.47Å; N2-S5 PolarHBondContact O-N 3.42Å; N2-S5 VanDerWaalsContact O-N 3.13Å; N2-S5 PolarHBondContact O-OG 2.95Å; L3-S5 PolarHBondContact O-N 3.22Å; S5-A8 PolarHBondContact O-N 3.24Å; S5-L9 WeakPolarHBondContact O-CG 3.4Å; S5-L9 PolarHBondContact O-N 2.86Å
6Q85.3Confident82.3Confident42 Ų4287.4 Ų87.420%0.19648%0.48CS..Hα-helixtrans-66.3-41.4173.2-67.1176-4300111.5M1 N2 L3 K4 A8 L9 L10 H27M1-Q6 HydrophobicContact CB-CG 3.82Å; M1-Q6 HydrophobicContact SD-CG 4.24Å; N2-Q6 PolarHBondContact O-N 3.48Å; L3-Q6 WeakPolarHBondContact O-CB 3.41Å; L3-Q6 PolarHBondContact O-N 3.14Å; K4-Q6 VanDerWaalsContact C-N 3.35Å; Q6-A8 VanDerWaalsContact C-N 3.32Å; Q6-A8 PolarHBondContact O-N 3.38Å; Q6-L9 PolarHBondContact O-N 2.93Å; Q6-L10 WeakPolarHBondContact O-CG 3.47Å; Q6-L10 PolarHBondContact O-N 3.44Å; Q6-H27 WeakPolarHBondContact CB-CE1 3.34Å; Q6-H27 WeakPolarHBondContact CB-NE2 3.3Å; Q6-H27 PolarHBondContact OE1-NE2 2.89Å
7M84.5Confident82.9Confident14 Ų1486.1 Ų86.17%0.06948%0.475CS..Hα-helixtrans-58.3-43.3174.5-71164.58200112L3 K4 L9 L10 R11 S31L3-M7 HydrophobicContact CD2-SD 4.35Å; L3-M7 HydrophobicContact CG-SD 4.22Å; L3-M7 VanDerWaalsContact O-CG 3.26Å; L3-M7 WeakPolarHBondContact O-CG 3.28Å; L3-M7 PolarHBondContact O-N 2.75Å; K4-M7 PolarHBondContact O-N 3.48Å; M7-L9 VanDerWaalsContact C-N 3.33Å; M7-L9 PolarHBondContact O-N 3.37Å; M7-L10 PolarHBondContact O-N 3.33Å; M7-R11 WeakPolarHBondContact O-CG 3.39Å; M7-R11 PolarHBondContact O-N 2.84Å; M7-S31 VanDerWaalsContact CG-OG 3.27Å; M7-S31 WeakPolarHBondContact CG-OG 3.4Å
8A84.1Confident83.4Confident53 Ų5391.2 Ų91.244%0.43850%0.497SS..Hα-helixtrans-61.5-41.3177.100000112.1K4 S5 Q6 R11K4-A8 PolarHBondContact O-N 3.42Å; K4-A8 VanDerWaalsContact O-N 3.09Å; S5-A8 PolarHBondContact O-N 3.24Å; Q6-A8 VanDerWaalsContact C-N 3.32Å; Q6-A8 PolarHBondContact O-N 3.38Å; A8-R11 PolarHBondContact O-N 2.78Å
9L85.5Confident83.8Confident96 Ų9689.1 Ų89.150%0.50349%0.493SS..Hα-helixtrans-66.7-37174.5-68.4170000112.5M1 S5 Q6 M7 R11 S12M1-L9 HydrophobicContact CE-CD1 4.35Å; M1-L9 HydrophobicContact SD-CD1 3.85Å; S5-L9 WeakPolarHBondContact O-CG 3.4Å; S5-L9 PolarHBondContact O-N 2.86Å; Q6-L9 PolarHBondContact O-N 2.93Å; M7-L9 VanDerWaalsContact C-N 3.33Å; M7-L9 PolarHBondContact O-N 3.37Å; L9-R11 VanDerWaalsContact C-N 3.31Å; L9-R11 PolarHBondContact O-N 3.12Å; L9-S12 PolarHBondContact O-N 3.04Å; L9-S12 PolarHBondContact O-OG 3.38Å
10L88.1Confident83.9Confident24 Ų2489.6 Ų89.613%0.12650%0.499CS..Hα-helixtrans-68.6-31.2177.1-68.9175.1000112.3Q6 M7 S12 C13 P14 V17 H27 F34Q6-L10 WeakPolarHBondContact O-CG 3.47Å; Q6-L10 PolarHBondContact O-N 3.44Å; M7-L10 PolarHBondContact O-N 3.33Å; L10-S12 PolarHBondContact O-N 2.74Å; L10-C13 PolarHBondContact O-N 3.36Å; L10-C13 VanDerWaalsContact O-N 3.09Å; L10-P14 HydrophobicContact CD2-CG 4.28Å; L10-V17 HydrophobicContact CD2-CG2 4.17Å; L10-H27 HydrophobicContact CD1-CB 3.79Å; L10-H27 VanDerWaalsContact CD1-CG 3.49Å; L10-H27 WeakPolarHBondContact CD1-ND1 3.42Å; L10-F34 HydrophobicContact CB-CB 4.44Å; L10-F34 HydrophobicContact CB-CD2 4.09Å; L10-F34 HydrophobicContact CB-CG 4.35Å; L10-F34 HydrophobicContact CD1-CB 4.31Å; L10-F34 HydrophobicContact CD1-CD1 3.94Å; L10-F34 HydrophobicContact CD1-CD2 4.05Å; L10-F34 HydrophobicContact CD1-CE1 4.24Å; L10-F34 HydrophobicContact CD1-CE2 4.37Å; L10-F34 HydrophobicContact CD1-CG 3.82Å; L10-F34 HydrophobicContact CD1-CZ 4.44Å; L10-F34 HydrophobicContact CD2-CD2 3.79Å; L10-F34 HydrophobicContact CD2-CE2 3.6Å; L10-F34 HydrophobicContact CD2-CG 4.42Å; L10-F34 HydrophobicContact CD2-CZ 4.06Å; L10-F34 HydrophobicContact CG-CD2 4.19Å; L10-F34 HydrophobicContact CG-CE2 4.44Å; L10-F34 HydrophobicContact CG-CG 4.42Å
11R85Confident84.1Confident146 Ų14686 Ų8655%0.55148%0.48SS*.Hα-helixtrans-65.9-24.5175.1-72.2173.7-167.4151.9-0113.2M7 A8 L9 C13M7-R11 WeakPolarHBondContact O-CG 3.39Å; M7-R11 PolarHBondContact O-N 2.84Å; A8-R11 PolarHBondContact O-N 2.78Å; L9-R11 VanDerWaalsContact C-N 3.31Å; L9-R11 PolarHBondContact O-N 3.12Å; R11-C13 PolarHBondContact O-N 3.22Å
12S85.7Confident85.6Confident88 Ų8878.9 Ų78.962%0.61545%0.449SS*.THydrogen-bonded Turntrans-75.36.1173.571.90000113.3L9 L10L9-S12 PolarHBondContact O-N 3.04Å; L9-S12 PolarHBondContact O-OG 3.38Å; L10-S12 PolarHBondContact O-N 2.74Å
13C84.6Confident86.3Confident105 Ų10578.7 Ų78.771%0.70944%0.44SS*.  trans53.563.8176.8-60.30000112.5L10 R11L10-C13 PolarHBondContact O-N 3.36Å; L10-C13 VanDerWaalsContact O-N 3.09Å; R11-C13 PolarHBondContact O-N 3.22Å
14P88.7Confident87.1Confident54 Ų5477.8 Ų77.835%0.35144%0.435SS..  trans-65.3142.2-178.828.7-35.2000111.9L10 V16 V17L10-P14 HydrophobicContact CD2-CG 4.28Å; P14-V16 VanDerWaalsContact C-N 3.32Å; P14-V16 PolarHBondContact O-N 3.39Å; P14-V17 HydrophobicContact CB-CG2 4.5Å; P14-V17 HydrophobicContact CG-CG2 3.72Å
15D91.3Very high87.7Confident171 Ų17172 Ų7291%0.91441%0.41SS*.SBendtrans-68.1-31.1176.8-56.7-74.2000112.8
16V93.6Very high88Confident116 Ų11670.7 Ų70.770%0.70340%0.399SS*.  trans-129.1127.2-178.8-177.70000110.1P14 M18P14-V16 VanDerWaalsContact C-N 3.32Å; P14-V16 PolarHBondContact O-N 3.39Å; V16-M18 HydrophobicContact CG1-CG 4.49Å
17V92.1Very high88.3Confident65 Ų6569.2 Ų69.239%0.39439%0.392SS..  trans-119.9122.9174.3178.60000109.4L10 P14 F34L10-V17 HydrophobicContact CD2-CG2 4.17Å; P14-V17 HydrophobicContact CB-CG2 4.5Å; P14-V17 HydrophobicContact CG-CG2 3.72Å; V17-F34 HydrophobicContact CG1-CZ 4.49Å; V17-F34 HydrophobicContact CG2-CE2 4.41Å
18M92.6Very high88.5Confident178 Ų17869.9 Ų69.988%0.87740%0.396SS*.  trans-109.3122.3171.2-65.7-176.4-72.200109.3V16V16-M18 HydrophobicContact CG1-CG 4.49Å
19A89.7Confident88.5Confident52 Ų5272.4 Ų72.443%0.4339%0.394SS..  trans-151.1149.9-178.100000111.6L24A19-L24 HydrophobicContact CB-CB 3.84Å; A19-L24 HydrophobicContact CB-CD1 4.24Å; A19-L24 HydrophobicContact CB-CG 4.5Å
20T87Confident88.5Confident98 Ų9869.4 Ų69.460%0.60138%0.379SS*.  trans-75.8148.7163.954.20000109.7G22 R23 L24T20-G22 VanDerWaalsContact C-N 3.33Å; T20-G22 PolarHBondContact O-N 3.46Å; T20-R23 PolarHBondContact O-N 3.32Å; T20-R23 VanDerWaalsContact O-N 3.08Å; T20-L24 PolarHBondContact O-N 3.4Å
21P87.8Confident88.3Confident15 Ų1568.6 Ų68.610%0.09738%0.375CS..Hα-helixtrans-51.7-47.5-171.8-29.635.3000113.6R23 L24 I25 M50 Q58 M59P21-R23 PolarHBondContact O-N 3.45Å; P21-L24 WeakPolarHBondContact O-CB 3.21Å; P21-L24 PolarHBondContact O-N 2.89Å; P21-I25 VanDerWaalsContact O-CG1 3.32Å; P21-I25 WeakPolarHBondContact O-CG1 3.1Å; P21-I25 PolarHBondContact O-N 2.87Å; P21-M50 HydrophobicContact CG-SD 4.42Å; P21-Q58 HydrophobicContact CB-CB 3.86Å; P21-M59 HydrophobicContact CG-CE 3.94Å
22G86.9Confident88Confident17 Ų1764.6 Ų64.618%0.17537%0.368CS..Hα-helixtrans-61.7-42.9-179.600000113.6T20 L24 I25 D26 W327T20-G22 VanDerWaalsContact C-N 3.33Å; T20-G22 PolarHBondContact O-N 3.46Å; G22-L24 VanDerWaalsContact C-N 3.34Å; G22-I25 PolarHBondContact O-N 3.15Å; G22-D26 PolarHBondContact O-N 3.28Å; G22-D26 VanDerWaalsContact O-N 3.13Å; G22-W327 VanDerWaalsContact O-CH2 3.29Å; G22-W327 WeakPolarHBondContact O-CH2 3.41Å
23R87.2Confident87.7Confident107 Ų10765.9 Ų65.940%0.40438%0.377SS..Hα-helixtrans-70-34.9177.6-177.262.270.4-173.38.1111.4T20 P21 D26 H27T20-R23 PolarHBondContact O-N 3.32Å; T20-R23 VanDerWaalsContact O-N 3.08Å; P21-R23 PolarHBondContact O-N 3.45Å; R23-D26 IonicContact NH1-OD2 2.8Å; R23-D26 PolarHBondContact NH1-OD2 3.46Å; R23-D26 VanDerWaalsContact NH1-OD2 3.15Å; R23-D26 WeakPolarHBondContact O-CB 3.4Å; R23-D26 PolarHBondContact O-N 3.38Å; R23-H27 PolarHBondContact O-CD2 3Å; R23-H27 VanDerWaalsContact O-CD2 3.3Å; R23-H27 PolarHBondContact O-N 2.61Å
24L91.4Very high87.9Confident22 Ų2262.2 Ų62.212%0.11535%0.349CS..Hα-helixtrans-62.8-47.4176.1-176.859.2000111A19 T20 P21 G22 D26 H27 L28 F34 L36 V62A19-L24 HydrophobicContact CB-CB 3.84Å; A19-L24 HydrophobicContact CB-CD1 4.24Å; A19-L24 HydrophobicContact CB-CG 4.5Å; T20-L24 PolarHBondContact O-N 3.4Å; P21-L24 WeakPolarHBondContact O-CB 3.21Å; P21-L24 PolarHBondContact O-N 2.89Å; G22-L24 VanDerWaalsContact C-N 3.34Å; L24-D26 VanDerWaalsContact C-N 3.32Å; L24-D26 PolarHBondContact O-N 3.15Å; L24-H27 PolarHBondContact O-N 2.85Å; L24-H27 VanDerWaalsContact O-N 3.13Å; L24-L28 HydrophobicContact CG-CD1 4.06Å; L24-L28 HydrophobicContact CG-CG 4.49Å; L24-L28 WeakPolarHBondContact O-CG 3.2Å; L24-L28 PolarHBondContact O-N 2.64Å; L24-F34 HydrophobicContact CD1-CE1 3.78Å; L24-F34 HydrophobicContact CD1-CZ 3.88Å; L24-L36 HydrophobicContact CD2-CD1 4.18Å; L24-V62 HydrophobicContact CD2-CG1 3.82Å; L24-V62 HydrophobicContact CD2-CG2 3.93Å; L24-V62 HydrophobicContact CG-CG2 4.43Å
25I89.3Confident88Confident0 Ų063.6 Ų63.60%035%0.353CS..Hα-helixtrans-61.7-40.7178.3-65.5163.7000111.5P21 G22 H27 L28 R29 Q58 E61 V62 W327 F328P21-I25 VanDerWaalsContact O-CG1 3.32Å; P21-I25 WeakPolarHBondContact O-CG1 3.1Å; P21-I25 PolarHBondContact O-N 2.87Å; G22-I25 PolarHBondContact O-N 3.15Å; I25-H27 VanDerWaalsContact C-N 3.28Å; I25-H27 PolarHBondContact O-N 3.1Å; I25-L28 PolarHBondContact O-N 3.34Å; I25-L28 VanDerWaalsContact O-N 3.16Å; I25-R29 HydrophobicContact CG2-CG 4.14Å; I25-R29 WeakPolarHBondContact O-CB 3.45Å; I25-R29 WeakPolarHBondContact O-CG 3.39Å; I25-R29 PolarHBondContact O-N 2.98Å; I25-Q58 HydrophobicContact CD1-CB 3.53Å; I25-Q58 HydrophobicContact CD1-CG 3.78Å; I25-Q58 WeakPolarHBondContact CD1-O 3.18Å; I25-E61 HydrophobicContact CD1-CB 4.08Å; I25-E61 HydrophobicContact CD1-CG 4.06Å; I25-E61 HydrophobicContact CG1-CG 4.09Å; I25-E61 HydrophobicContact CG2-CG 4.29Å; I25-V62 HydrophobicContact CD1-CG2 4.27Å; I25-V62 HydrophobicContact CG1-CG2 3.83Å; I25-W327 HydrophobicContact CB-CH2 4.43Å; I25-W327 HydrophobicContact CB-CZ3 4.49Å; I25-W327 HydrophobicContact CG2-CH2 4.47Å; I25-W327 HydrophobicContact CG2-CZ3 4.27Å; I25-F328 HydrophobicContact CD1-CD1 4.17Å; I25-F328 HydrophobicContact CD1-CE1 3.85Å; I25-F328 HydrophobicContact CD1-CZ 4.42Å; I25-F328 HydrophobicContact CG2-CD1 3.67Å; I25-F328 HydrophobicContact CG2-CE1 4.3Å; I25-F328 HydrophobicContact CG2-CG 4.44Å
26D88.2Confident88Confident22 Ų2256 Ų5612%0.11831%0.313CS..Hα-helixtrans-54.5-46.8174.4-168.912.9000110.9L3 G22 R23 L24 R29 N30 W327L3-D26 VanDerWaalsContact CD1-OD2 3.29Å; L3-D26 WeakPolarHBondContact CD1-OD2 3.22Å; G22-D26 PolarHBondContact O-N 3.28Å; G22-D26 VanDerWaalsContact O-N 3.13Å; R23-D26 IonicContact NH1-OD2 2.8Å; R23-D26 PolarHBondContact NH1-OD2 3.46Å; R23-D26 VanDerWaalsContact NH1-OD2 3.15Å; R23-D26 WeakPolarHBondContact O-CB 3.4Å; R23-D26 PolarHBondContact O-N 3.38Å; L24-D26 VanDerWaalsContact C-N 3.32Å; L24-D26 PolarHBondContact O-N 3.15Å; D26-R29 PolarHBondContact O-N 2.81Å; D26-N30 VanDerWaalsContact O-CB 3.29Å; D26-N30 WeakPolarHBondContact O-CB 3.25Å; D26-N30 PolarHBondContact O-N 3.44Å; D26-N30 PolarHBondContact O-ND2 2.84Å; D26-N30 PolarHBondContact OD1-ND2 3.24Å; D26-W327 HydrophobicContact CB-CZ3 3.99Å
27H90.7Very high87.7Confident11 Ų1153.9 Ų53.95%0.05130%0.303CS..Hα-helixtrans-65.7-42.3175.5-77.5-60.3000113.2Q6 L10 R23 L24 I25 R29 S31 F34Q6-H27 WeakPolarHBondContact CB-CE1 3.34Å; Q6-H27 WeakPolarHBondContact CB-NE2 3.3Å; Q6-H27 PolarHBondContact OE1-NE2 2.89Å; L10-H27 HydrophobicContact CD1-CB 3.79Å; L10-H27 VanDerWaalsContact CD1-CG 3.49Å; L10-H27 WeakPolarHBondContact CD1-ND1 3.42Å; R23-H27 PolarHBondContact O-CD2 3Å; R23-H27 VanDerWaalsContact O-CD2 3.3Å; R23-H27 PolarHBondContact O-N 2.61Å; L24-H27 PolarHBondContact O-N 2.85Å; L24-H27 VanDerWaalsContact O-N 3.13Å; I25-H27 VanDerWaalsContact C-N 3.28Å; I25-H27 PolarHBondContact O-N 3.1Å; H27-R29 PolarHBondContact O-N 2.69Å; H27-S31 WeakPolarHBondContact CA-OG 3.24Å; H27-S31 PolarHBondContact ND1-OG 2.7Å; H27-S31 WeakPolarHBondContact O-CA 3.28Å; H27-S31 WeakPolarHBondContact O-CB 3.33Å; H27-S31 PolarHBondContact O-N 2.62Å; H27-S31 PolarHBondContact O-OG 3.23Å; H27-F34 HydrophobicContact CB-CD1 3.73Å; H27-F34 HydrophobicContact CB-CE1 3.9Å
28L88.5Confident87.6Confident28 Ų2857.7 Ų57.715%0.14732%0.321CS..Hα-helixtrans-64.4-26.7179.4-65.9170.2000113.5L24 I25 F34 L36 L65L24-L28 HydrophobicContact CG-CD1 4.06Å; L24-L28 HydrophobicContact CG-CG 4.49Å; L24-L28 WeakPolarHBondContact O-CG 3.2Å; L24-L28 PolarHBondContact O-N 2.64Å; I25-L28 PolarHBondContact O-N 3.34Å; I25-L28 VanDerWaalsContact O-N 3.16Å; L28-F34 HydrophobicContact CD2-CD1 3.65Å; L28-F34 HydrophobicContact CD2-CE1 3.47Å; L28-F34 VanDerWaalsContact CD2-CE1 3.47Å; L28-F34 HydrophobicContact CD2-CZ 4.32Å; L28-F34 HydrophobicContact CG-CD1 4.26Å; L28-F34 HydrophobicContact CG-CE1 3.97Å; L28-L36 HydrophobicContact CD1-CD1 3.7Å; L28-L36 HydrophobicContact CD1-CG 4.13Å; L28-L36 HydrophobicContact CD2-CD1 4.1Å; L28-L36 HydrophobicContact CD2-CD2 4.04Å; L28-L36 HydrophobicContact CD2-CG 3.57Å; L28-L36 HydrophobicContact CG-CD1 4.48Å; L28-L36 HydrophobicContact CG-CG 4.45Å; L28-L65 HydrophobicContact CB-CD1 4.02Å; L28-L65 HydrophobicContact CD1-CB 4.29Å; L28-L65 HydrophobicContact CD1-CD1 3.64Å; L28-L65 HydrophobicContact CG-CD1 4.4Å
29R84.8Confident87.5Confident106 Ų10651 Ų5140%0.429%0.29SS..Hα-helixtrans-92.9-39.3179.9-67.2-68.5-175.9171.44.3112.8I25 D26 H27 E61I25-R29 HydrophobicContact CG2-CG 4.14Å; I25-R29 WeakPolarHBondContact O-CB 3.45Å; I25-R29 WeakPolarHBondContact O-CG 3.39Å; I25-R29 PolarHBondContact O-N 2.98Å; D26-R29 PolarHBondContact O-N 2.81Å; H27-R29 PolarHBondContact O-N 2.69Å; R29-E61 IonicContact CZ-OE1 2.68Å; R29-E61 IonicContact NE-OE1 3.6Å; R29-E61 PolarHBondContact NE-OE1 3.24Å; R29-E61 IonicContact NH2-OE1 3.49Å; R29-E61 PolarHBondContact NH2-OE1 2.93Å
30N84.6Confident87.7Confident32 Ų3256 Ų5617%0.17131%0.305CS..Hα-helixtrans-115.5-4.5-165.9-56.9-48.7000113.7D26 P32 S325 T326D26-N30 VanDerWaalsContact O-CB 3.29Å; D26-N30 WeakPolarHBondContact O-CB 3.25Å; D26-N30 PolarHBondContact O-N 3.44Å; D26-N30 PolarHBondContact O-ND2 2.84Å; D26-N30 PolarHBondContact OD1-ND2 3.24Å; N30-P32 WeakPolarHBondContact O-CD 3.2Å; N30-S325 PolarHBondContact ND2-OG 3.3Å; N30-T326 PolarHBondContact ND2-O 2.98Å; N30-T326 VanDerWaalsContact ND2-O 3.1Å; N30-T326 PolarHBondContact OD1-N 3.12Å; N30-T326 PolarHBondContact OD1-O 3.37Å; N30-T326 PolarHBondContact OD1-OG1 3.12Å
31S84.1Confident88.1Confident8 Ų855.6 Ų55.66%0.05630%0.298CS..SBendtrans-103.2107.2175.8-540000111.1M7 H27 S33 F34M7-S31 VanDerWaalsContact CG-OG 3.27Å; M7-S31 WeakPolarHBondContact CG-OG 3.4Å; H27-S31 WeakPolarHBondContact CA-OG 3.24Å; H27-S31 PolarHBondContact ND1-OG 2.7Å; H27-S31 WeakPolarHBondContact O-CA 3.28Å; H27-S31 WeakPolarHBondContact O-CB 3.33Å; H27-S31 PolarHBondContact O-N 2.62Å; H27-S31 PolarHBondContact O-OG 3.23Å; S31-S33 PolarHBondContact O-N 3.27Å; S31-F34 PolarHBondContact O-N 3.02Å
32P78.9Confident88.4Confident62 Ų6255.9 Ų55.940%0.40330%0.299SS..THydrogen-bonded Turntrans-54.3138.4175-23.533000110.9N30 F34N30-P32 WeakPolarHBondContact O-CD 3.2Å; P32-F34 VanDerWaalsContact C-N 3.27Å; P32-F34 PolarHBondContact O-N 2.81Å
33S80.5Confident88.8Confident115 Ų11559.9 Ų59.980%0.80432%0.315SS*.THydrogen-bonded Turntrans73.4-2.5178.4-46.90000117S31S31-S33 PolarHBondContact O-N 3.27Å
34F88.1Confident89.1Confident28 Ų2855.1 Ų55.112%0.12330%0.297CS..  trans-94.5124.4173.2-178.5-112.8000111.3L10 V17 L24 H27 L28 S31 P32 L36L10-F34 HydrophobicContact CB-CB 4.44Å; L10-F34 HydrophobicContact CB-CD2 4.09Å; L10-F34 HydrophobicContact CB-CG 4.35Å; L10-F34 HydrophobicContact CD1-CB 4.31Å; L10-F34 HydrophobicContact CD1-CD1 3.94Å; L10-F34 HydrophobicContact CD1-CD2 4.05Å; L10-F34 HydrophobicContact CD1-CE1 4.24Å; L10-F34 HydrophobicContact CD1-CE2 4.37Å; L10-F34 HydrophobicContact CD1-CG 3.82Å; L10-F34 HydrophobicContact CD1-CZ 4.44Å; L10-F34 HydrophobicContact CD2-CD2 3.79Å; L10-F34 HydrophobicContact CD2-CE2 3.6Å; L10-F34 HydrophobicContact CD2-CG 4.42Å; L10-F34 HydrophobicContact CD2-CZ 4.06Å; L10-F34 HydrophobicContact CG-CD2 4.19Å; L10-F34 HydrophobicContact CG-CE2 4.44Å; L10-F34 HydrophobicContact CG-CG 4.42Å; V17-F34 HydrophobicContact CG1-CZ 4.49Å; V17-F34 HydrophobicContact CG2-CE2 4.41Å; L24-F34 HydrophobicContact CD1-CE1 3.78Å; L24-F34 HydrophobicContact CD1-CZ 3.88Å; H27-F34 HydrophobicContact CB-CD1 3.73Å; H27-F34 HydrophobicContact CB-CE1 3.9Å; L28-F34 HydrophobicContact CD2-CD1 3.65Å; L28-F34 HydrophobicContact CD2-CE1 3.47Å; L28-F34 VanDerWaalsContact CD2-CE1 3.47Å; L28-F34 HydrophobicContact CD2-CZ 4.32Å; L28-F34 HydrophobicContact CG-CD1 4.26Å; L28-F34 HydrophobicContact CG-CE1 3.97Å; S31-F34 PolarHBondContact O-N 3.02Å; P32-F34 VanDerWaalsContact C-N 3.27Å; P32-F34 PolarHBondContact O-N 2.81Å; F34-L36 HydrophobicContact CE1-CD2 4.37Å; F34-L36 HydrophobicContact CE2-CD2 4.4Å; F34-L36 HydrophobicContact CZ-CD2 3.83Å
35N90.2Very high89.1Confident82 Ų8258.9 Ų58.944%0.43932%0.318SS..  trans-151.2166.2175.166.577.8000110.5S37N35-S37 WeakPolarHBondContact OD1-CB 3.34Å; N35-S37 PolarHBondContact OD1-N 3.21Å; N35-S37 PolarHBondContact OD1-OG 3.27Å
36L91.5Very high88.9Confident13 Ų1362.1 Ų62.17%0.06833%0.333CS..SBendtrans-105.415.9-180-53.1-180000112.9L24 L28 F34 N38 V39 V62 C66 S67L24-L36 HydrophobicContact CD2-CD1 4.18Å; L28-L36 HydrophobicContact CD1-CD1 3.7Å; L28-L36 HydrophobicContact CD1-CG 4.13Å; L28-L36 HydrophobicContact CD2-CD1 4.1Å; L28-L36 HydrophobicContact CD2-CD2 4.04Å; L28-L36 HydrophobicContact CD2-CG 3.57Å; L28-L36 HydrophobicContact CG-CD1 4.48Å; L28-L36 HydrophobicContact CG-CG 4.45Å; F34-L36 HydrophobicContact CE1-CD2 4.37Å; F34-L36 HydrophobicContact CE2-CD2 4.4Å; F34-L36 HydrophobicContact CZ-CD2 3.83Å; L36-N38 PolarHBondContact O-N 2.86Å; L36-V39 HydrophobicContact CB-CB 4.48Å; L36-V39 HydrophobicContact CB-CG2 3.78Å; L36-V39 HydrophobicContact CD2-CG2 3.84Å; L36-V39 HydrophobicContact CG-CG2 4.35Å; L36-V39 WeakPolarHBondContact O-CB 3.11Å; L36-V39 PolarHBondContact O-N 3.2Å; L36-V62 HydrophobicContact CD1-CG1 4.15Å; L36-C66 HydrophobicContact CB-CB 4.37Å; L36-C66 WeakPolarHBondContact CD1-SG 3.44Å; L36-S67 PolarHBondContact O-N 3.47Å; L36-S67 VanDerWaalsContact O-N 3.12Å
37S88.2Confident88.9Confident71 Ų7161.1 Ų61.150%0.49733%0.327SS..THydrogen-bonded Turntrans-66.6-24.1-176-55.20000113.1N35 S67N35-S37 WeakPolarHBondContact OD1-CB 3.34Å; N35-S37 PolarHBondContact OD1-N 3.21Å; N35-S37 PolarHBondContact OD1-OG 3.27Å; S37-S67 VanDerWaalsContact O-CB 3.3Å; S37-S67 WeakPolarHBondContact O-CB 3.3Å
38N88.5Confident88.3Confident145 Ų14560.7 Ų60.778%0.77533%0.326SS*.THydrogen-bonded Turntrans-105.411.2179-62.3-24.2000112.9L36 E40L36-N38 PolarHBondContact O-N 2.86Å; N38-E40 PolarHBondContact O-N 3.05Å
39V91.5Very high87.5Confident37 Ų3760.9 Ų60.922%0.22432%0.324CS..  trans-70.3119.2178.1170.40000109.6L36 I41 R70L36-V39 HydrophobicContact CB-CB 4.48Å; L36-V39 HydrophobicContact CB-CG2 3.78Å; L36-V39 HydrophobicContact CD2-CG2 3.84Å; L36-V39 HydrophobicContact CG-CG2 4.35Å; L36-V39 WeakPolarHBondContact O-CB 3.11Å; L36-V39 PolarHBondContact O-N 3.2Å; V39-I41 VanDerWaalsContact CG1-O 3.25Å; V39-I41 WeakPolarHBondContact CG1-O 3.13Å; V39-R70 WeakPolarHBondContact O-CB 3.31Å
40E93.7Very high87.1Confident157 Ų15757.2 Ų57.273%0.73431%0.312SS*.  trans-88.5-30.9176.2-63-177.7178.200112.4N38 R70 Q71N38-E40 PolarHBondContact O-N 3.05Å; E40-R70 CarbonylContact O-C 3.44Å; E40-R70 WeakPolarHBondContact O-CA 3.47Å; E40-Q71 PolarHBondContact O-N 3.28Å
41I95.4Very high86.4Confident90 Ų9057.1 Ų57.146%0.46231%0.312SS..EExtended strand (participates in β ladder)trans-131.5124.1-177.2-53.9177.5000110.1V39 I43 Q71 M73V39-I41 VanDerWaalsContact CG1-O 3.25Å; V39-I41 WeakPolarHBondContact CG1-O 3.13Å; I41-I43 HydrophobicContact CG2-CG1 4.15Å; I41-Q71 CarbonylContact C-O 3.54Å; I41-Q71 WeakPolarHBondContact CA-O 3.01Å; I41-Q71 HydrophobicContact CG1-CB 4.48Å; I41-M73 HydrophobicContact CG2-CE 4.48Å
42L94.7Very high85.6Confident21 Ų2161 Ų6111%0.1133%0.332CS..EExtended strand (participates in β ladder)trans-113.2123.5171.6176.364.7000109.9L44 L63 Q71 T72 M73L42-L44 HydrophobicContact CD1-CD2 4.18Å; L42-L44 HydrophobicContact CD2-CD2 4.15Å; L42-L44 HydrophobicContact CG-CD2 4.04Å; L42-L44 HydrophobicContact CG-CG 4.38Å; L42-L63 HydrophobicContact CD2-CD2 3.62Å; L42-Q71 PolarHBondContact N-O 2.92Å; L42-T72 HydrophobicContact CB-CG2 4.32Å; L42-T72 HydrophobicContact CD2-CG2 4.15Å; L42-T72 HydrophobicContact CG-CG2 4.27Å; L42-T72 CarbonylContact O-C 3.42Å; L42-T72 VanDerWaalsContact O-CA 3.28Å; L42-T72 WeakPolarHBondContact O-CA 3.4Å; L42-M73 PolarHBondContact O-N 2.98Å
43I95.4Very high84.7Confident101 Ų10161.6 Ų61.652%0.51833%0.329SS..EExtended strand (participates in β ladder)trans-108.8123175.3-59.9175.8000109I41 M73 F75I41-I43 HydrophobicContact CG2-CG1 4.15Å; I43-M73 WeakPolarHBondContact CA-O 3.4Å; I43-M73 HydrophobicContact CG1-CB 4.45Å; I43-F75 HydrophobicContact CG2-CD2 3.8Å; I43-F75 HydrophobicContact CG2-CE2 3.8Å
44L93Very high83.7Confident6 Ų661.7 Ų61.73%0.03131%0.312CS..EExtended strand (participates in β ladder)trans-10591.5175.2-62.7-172.4000108.4L42 M50 M59 T72 M73 L74 F75 L86L42-L44 HydrophobicContact CD1-CD2 4.18Å; L42-L44 HydrophobicContact CD2-CD2 4.15Å; L42-L44 HydrophobicContact CG-CD2 4.04Å; L42-L44 HydrophobicContact CG-CG 4.38Å; L44-M50 HydrophobicContact CB-CE 3.63Å; L44-M50 HydrophobicContact CD2-CE 4.09Å; L44-M50 HydrophobicContact CG-CE 4.35Å; L44-M59 HydrophobicContact CD1-SD 4.34Å; L44-M59 HydrophobicContact CD2-CE 4.06Å; L44-M59 HydrophobicContact CD2-SD 3.59Å; L44-M59 VanDerWaalsContact CD2-SD 3.59Å; L44-T72 HydrophobicContact CD1-CG2 4.24Å; L44-T72 HydrophobicContact CG-CG2 4.31Å; L44-M73 PolarHBondContact N-O 3.45Å; L44-L74 HydrophobicContact CB-CB 4.34Å; L44-L74 HydrophobicContact CB-CG 4.26Å; L44-L74 HydrophobicContact CD1-CD1 4.36Å; L44-L74 WeakPolarHBondContact O-CA 3.48Å; L44-F75 PolarHBondContact O-N 3.05Å; L44-L86 HydrophobicContact CD1-CD1 4.42Å; L44-L86 HydrophobicContact CD1-CG 4.49Å
45D91.3Very high82.7Confident101 Ų10162.8 Ų62.854%0.5432%0.317SS..  trans-91.6150.9-179.5-166.221.3000112.3A47 M50D45-A47 VanDerWaalsContact C-N 3.31Å; D45-A47 PolarHBondContact O-N 3.26Å; D45-M50 WeakPolarHBondContact O-CE 3.47Å
46E86.3Confident81.9Confident69 Ų6961.1 Ų61.132%0.32232%0.315SS..SBendtrans4649.1-172.8-59.4-165.6165.300113.1D48 R49 M50 F75E46-D48 VanDerWaalsContact C-N 3.27Å; E46-D48 PolarHBondContact O-N 3.37Å; E46-D48 VanDerWaalsContact O-N 3.12Å; E46-R49 HydrophobicContact CB-CB 4.06Å; E46-R49 HydrophobicContact CB-CG 3.98Å; E46-R49 WeakPolarHBondContact O-CA 3.35Å; E46-R49 VanDerWaalsContact O-CB 3.29Å; E46-R49 WeakPolarHBondContact O-CB 3.49Å; E46-R49 PolarHBondContact O-N 2.9Å; E46-M50 PolarHBondContact O-N 3.33Å; E46-F75 PolarHBondContact N-O 3.22Å; E46-F75 VanDerWaalsContact N-O 3.13Å
47A86.6Confident81.3Confident0 Ų065.3 Ų65.30%033%0.334CS..THydrogen-bonded Turntrans-58.2-33.4-16800000114.8D45 R49 M50 L51 L74 F75 V83 L86D45-A47 VanDerWaalsContact C-N 3.31Å; D45-A47 PolarHBondContact O-N 3.26Å; A47-R49 VanDerWaalsContact C-N 3.27Å; A47-R49 PolarHBondContact O-N 2.63Å; A47-M50 HydrophobicContact CB-CE 4.22Å; A47-M50 PolarHBondContact O-N 3.31Å; A47-L51 WeakPolarHBondContact O-CG 3.25Å; A47-L51 PolarHBondContact O-N 2.94Å; A47-L74 HydrophobicContact CB-CD1 3.95Å; A47-L74 HydrophobicContact CB-CD2 3.67Å; A47-L74 HydrophobicContact CB-CG 3.68Å; A47-F75 PolarHBondContact N-O 3.34Å; A47-V83 HydrophobicContact CB-CG1 4.35Å; A47-L86 HydrophobicContact CB-CD2 4.07Å
48D79.5Confident81.1Confident3 Ų362.5 Ų62.52%0.01631%0.313CS..THydrogen-bonded Turntrans-63.8-31.1172.965.2-64.5000113.1E46 S76 T78 V83 K219E46-D48 VanDerWaalsContact C-N 3.27Å; E46-D48 PolarHBondContact O-N 3.37Å; E46-D48 VanDerWaalsContact O-N 3.12Å; D48-S76 VanDerWaalsContact CB-OG 3.31Å; D48-S76 WeakPolarHBondContact CB-OG 3.43Å; D48-S76 VanDerWaalsContact CG-OG 3.26Å; D48-S76 PolarHBondContact N-OG 3.41Å; D48-S76 PolarHBondContact OD1-OG 3.22Å; D48-T78 WeakPolarHBondContact CB-OG1 3.18Å; D48-T78 PolarHBondContact OD2-OG1 2.67Å; D48-V83 HydrophobicContact CB-CG2 3.61Å; D48-K219 WeakPolarHBondContact OD2-CE 3.4Å; D48-K219 IonicContact OD2-NZ 3.77Å; D48-K219 PolarHBondContact OD2-NZ 3.26Å
49R71.9Confident81Confident32 Ų3255.8 Ų55.812%0.12128%0.277CS..THydrogen-bonded Turntrans-78.9-35.7175.3-59.8-70.9103.9-148.5-9111.1E46 A47 L51 D52 K219E46-R49 HydrophobicContact CB-CB 4.06Å; E46-R49 HydrophobicContact CB-CG 3.98Å; E46-R49 WeakPolarHBondContact O-CA 3.35Å; E46-R49 VanDerWaalsContact O-CB 3.29Å; E46-R49 WeakPolarHBondContact O-CB 3.49Å; E46-R49 PolarHBondContact O-N 2.9Å; A47-R49 VanDerWaalsContact C-N 3.27Å; A47-R49 PolarHBondContact O-N 2.63Å; R49-L51 PolarHBondContact O-N 2.71Å; R49-L51 VanDerWaalsContact O-N 3.12Å; R49-D52 IonicContact CZ-OD2 2.98Å; R49-D52 IonicContact NE-OD2 3.78Å; R49-D52 IonicContact NH1-OD2 2.89Å; R49-D52 PolarHBondContact NH1-OD2 2.7Å; R49-D52 IonicContact NH2-OD2 3.64Å; R49-D52 PolarHBondContact NH2-OD2 3.5Å; R49-D52 PolarHBondContact O-N 2.79Å; R49-K219 VanDerWaalsContact NH2-NZ 3.16Å
50M74.6Confident80.6Confident28 Ų2858.2 Ų58.214%0.13829%0.289CS..THydrogen-bonded Turntrans-64.1-10.2173.9-64.5-162.2-66.500112.5P21 L44 D45 E46 A47 F55 M59P21-M50 HydrophobicContact CG-SD 4.42Å; L44-M50 HydrophobicContact CB-CE 3.63Å; L44-M50 HydrophobicContact CD2-CE 4.09Å; L44-M50 HydrophobicContact CG-CE 4.35Å; D45-M50 WeakPolarHBondContact O-CE 3.47Å; E46-M50 PolarHBondContact O-N 3.33Å; A47-M50 HydrophobicContact CB-CE 4.22Å; A47-M50 PolarHBondContact O-N 3.31Å; M50-F55 WeakPolarHBondContact O-CB 3.12Å; M50-F55 WeakPolarHBondContact O-CD2 3.47Å; M50-M59 HydrophobicContact CB-CE 4.25Å; M50-M59 HydrophobicContact CE-CE 3.67Å; M50-M59 HydrophobicContact CG-CE 4.44Å; M50-M59 HydrophobicContact SD-CE 3.35Å; M50-M59 WeakPolarHBondContact SD-CE 3.31Å
51L71.7Confident80.3Confident31 Ų3151.2 Ų51.216%0.16226%0.256CS..THydrogen-bonded Turntrans-104.5-20.1176.9-63.2168.5000113.1A47 R49 E53 A56 E82 V83 L86A47-L51 WeakPolarHBondContact O-CG 3.25Å; A47-L51 PolarHBondContact O-N 2.94Å; R49-L51 PolarHBondContact O-N 2.71Å; R49-L51 VanDerWaalsContact O-N 3.12Å; L51-E53 PolarHBondContact O-N 2.69Å; L51-E53 VanDerWaalsContact O-N 3.11Å; L51-A56 HydrophobicContact CD2-CB 4.21Å; L51-E82 HydrophobicContact CB-CB 4.34Å; L51-E82 HydrophobicContact CD1-CB 3.72Å; L51-E82 WeakPolarHBondContact CD1-O 3.32Å; L51-V83 HydrophobicContact CD1-CB 4.48Å; L51-V83 HydrophobicContact CD1-CG2 4Å; L51-L86 HydrophobicContact CD1-CB 3.87Å; L51-L86 HydrophobicContact CD1-CD2 3.94Å; L51-L86 HydrophobicContact CD2-CB 4.34Å; L51-L86 HydrophobicContact CD2-CD2 4.09Å; L51-L86 HydrophobicContact CG-CD2 4.07Å
52D65.9Low80.1Confident90 Ų9047.1 Ų47.148%0.48124%0.235SC..THydrogen-bonded Turntrans-69.3-7.1-171.6-96.612.5000115.5R49R49-D52 IonicContact CZ-OD2 2.98Å; R49-D52 IonicContact NE-OD2 3.78Å; R49-D52 IonicContact NH1-OD2 2.89Å; R49-D52 PolarHBondContact NH1-OD2 2.7Å; R49-D52 IonicContact NH2-OD2 3.64Å; R49-D52 PolarHBondContact NH2-OD2 3.5Å; R49-D52 PolarHBondContact O-N 2.79Å
53E60.5Low79.8Confident73 Ų7347 Ų4734%0.34123%0.234SC..THydrogen-bonded Turntrans-144.757.1-173.4-53.2172.8-164.500112.6L51 F55 R199L51-E53 PolarHBondContact O-N 2.69Å; L51-E53 VanDerWaalsContact O-N 3.11Å; E53-F55 HydrophobicContact CB-CD2 4.05Å; E53-F55 HydrophobicContact CB-CE2 3.53Å; E53-F55 HydrophobicContact CB-CZ 4Å; E53-F55 HydrophobicContact CG-CE2 4.25Å; E53-F55 PolarHBondContact O-N 3.36Å; E53-R199 IonicContact OE1-CZ 3.6Å; E53-R199 IonicContact OE1-NH1 2.67Å; E53-R199 PolarHBondContact OE1-NH1 2.84Å; E53-R199 IonicContact OE1-NH2 2.64Å
54Y60.3Low79.4Confident117 Ų11749.7 Ų49.746%0.45924%0.238SC..SBendtrans60.115.1176.5-51.7-85.8000115.2A56 K340Y54-A56 VanDerWaalsContact C-N 3.29Å; Y54-A56 PolarHBondContact O-N 3.12Å; Y54-K340 HydrophobicContact CE1-CD 4.08Å; Y54-K340 HydrophobicContact CE2-CB 4.03Å; Y54-K340 WeakPolarHBondContact OH-CB 3.48Å; Y54-K340 WeakPolarHBondContact OH-CD 3.21Å
55F66.2Low79.2Confident52 Ų5252 Ų5223%0.22825%0.25CS..Hα-helixtrans-83.20.3179.8-38.2-82000114M50 E53 E57 Q58 M59M50-F55 WeakPolarHBondContact O-CB 3.12Å; M50-F55 WeakPolarHBondContact O-CD2 3.47Å; E53-F55 HydrophobicContact CB-CD2 4.05Å; E53-F55 HydrophobicContact CB-CE2 3.53Å; E53-F55 HydrophobicContact CB-CZ 4Å; E53-F55 HydrophobicContact CG-CE2 4.25Å; E53-F55 PolarHBondContact O-N 3.36Å; F55-E57 PolarHBondContact O-N 3.41Å; F55-Q58 HydrophobicContact CB-CB 4.21Å; F55-Q58 VanDerWaalsContact CD1-OE1 3.26Å; F55-Q58 CarbonylContact O-C 3.56Å; F55-Q58 WeakPolarHBondContact O-CB 3.48Å; F55-Q58 PolarHBondContact O-N 3.39Å; F55-Q58 VanDerWaalsContact O-N 3.1Å; F55-M59 VanDerWaalsContact O-CB 3.31Å; F55-M59 WeakPolarHBondContact O-CB 3.4Å; F55-M59 PolarHBondContact O-N 3.2Å
56A73.1Confident79.2Confident46 Ų4647.6 Ų47.638%0.3823%0.228SC..Hα-helixtrans-54.6-42.517400000111.6L51 Y54 M59 N60L51-A56 HydrophobicContact CD2-CB 4.21Å; Y54-A56 VanDerWaalsContact C-N 3.29Å; Y54-A56 PolarHBondContact O-N 3.12Å; A56-M59 PolarHBondContact O-N 3.36Å; A56-N60 WeakPolarHBondContact O-CB 3.35Å; A56-N60 VanDerWaalsContact O-CG 3.25Å; A56-N60 PolarHBondContact O-N 3.29Å; A56-N60 PolarHBondContact O-ND2 2.98Å
57E78.8Confident79.2Confident102 Ų10245.1 Ų45.148%0.47722%0.218SC..Hα-helixtrans-66.6-43.1175.7-65.6172.3-175.700112.1F55 M59 N60 E61 F328 L329F55-E57 PolarHBondContact O-N 3.41Å; E57-M59 VanDerWaalsContact C-N 3.27Å; E57-M59 PolarHBondContact O-N 2.83Å; E57-N60 PolarHBondContact O-N 3.48Å; E57-E61 WeakPolarHBondContact O-CB 3.41Å; E57-E61 PolarHBondContact O-N 3.34Å; E57-F328 HydrophobicContact CB-CE2 4.11Å; E57-L329 WeakPolarHBondContact OE2-CD2 3.44Å
58Q85.3Confident79.1Confident11 Ų1149.8 Ų49.85%0.05125%0.248CC..Hα-helixtrans-61.8-38.6175.2-66.8-175.819.700111.2P21 I25 F55 E61 V62 F328P21-Q58 HydrophobicContact CB-CB 3.86Å; I25-Q58 HydrophobicContact CD1-CB 3.53Å; I25-Q58 HydrophobicContact CD1-CG 3.78Å; I25-Q58 WeakPolarHBondContact CD1-O 3.18Å; F55-Q58 HydrophobicContact CB-CB 4.21Å; F55-Q58 VanDerWaalsContact CD1-OE1 3.26Å; F55-Q58 CarbonylContact O-C 3.56Å; F55-Q58 WeakPolarHBondContact O-CB 3.48Å; F55-Q58 PolarHBondContact O-N 3.39Å; F55-Q58 VanDerWaalsContact O-N 3.1Å; Q58-E61 WeakPolarHBondContact O-CB 3.42Å; Q58-E61 PolarHBondContact O-N 2.64Å; Q58-V62 WeakPolarHBondContact O-CG2 3.31Å; Q58-V62 PolarHBondContact O-N 2.67Å; Q58-F328 HydrophobicContact CB-CZ 4.38Å; Q58-F328 HydrophobicContact CG-CE1 3.78Å; Q58-F328 HydrophobicContact CG-CE2 4.49Å; Q58-F328 HydrophobicContact CG-CZ 3.42Å; Q58-F328 VanDerWaalsContact CG-CZ 3.42Å
59M85.2Confident79.5Confident5 Ų555.7 Ų55.73%0.02528%0.284CS..Hα-helixtrans-69.3-45.1179.1-169.854.762.900110.9P21 L44 M50 F55 A56 E57 E61 V62 L63 L86P21-M59 HydrophobicContact CG-CE 3.94Å; L44-M59 HydrophobicContact CD1-SD 4.34Å; L44-M59 HydrophobicContact CD2-CE 4.06Å; L44-M59 HydrophobicContact CD2-SD 3.59Å; L44-M59 VanDerWaalsContact CD2-SD 3.59Å; M50-M59 HydrophobicContact CB-CE 4.25Å; M50-M59 HydrophobicContact CE-CE 3.67Å; M50-M59 HydrophobicContact CG-CE 4.44Å; M50-M59 HydrophobicContact SD-CE 3.35Å; M50-M59 WeakPolarHBondContact SD-CE 3.31Å; F55-M59 VanDerWaalsContact O-CB 3.31Å; F55-M59 WeakPolarHBondContact O-CB 3.4Å; F55-M59 PolarHBondContact O-N 3.2Å; A56-M59 PolarHBondContact O-N 3.36Å; E57-M59 VanDerWaalsContact C-N 3.27Å; E57-M59 PolarHBondContact O-N 2.83Å; M59-E61 VanDerWaalsContact C-N 3.25Å; M59-E61 PolarHBondContact O-N 3.5Å; M59-V62 PolarHBondContact O-N 2.73Å; M59-L63 HydrophobicContact CG-CD1 4.07Å; M59-L63 HydrophobicContact CG-CG 4.35Å; M59-L63 WeakPolarHBondContact O-CB 3.35Å; M59-L63 WeakPolarHBondContact O-CG 3.39Å; M59-L63 PolarHBondContact O-N 2.95Å; M59-L63 HydrophobicContact SD-CG 4.41Å; M59-L86 HydrophobicContact CB-CD1 4.47Å; M59-L86 HydrophobicContact CG-CD1 3.44Å; M59-L86 VanDerWaalsContact CG-CD1 3.44Å
60N83.5Confident80.4Confident87 Ų8755.8 Ų55.847%0.46529%0.285SS..Hα-helixtrans-58.1-40.2173.7-73.1-24.2000111.7A56 E57 L63 R64A56-N60 WeakPolarHBondContact O-CB 3.35Å; A56-N60 VanDerWaalsContact O-CG 3.25Å; A56-N60 PolarHBondContact O-N 3.29Å; A56-N60 PolarHBondContact O-ND2 2.98Å; E57-N60 PolarHBondContact O-N 3.48Å; N60-L63 PolarHBondContact O-N 3.13Å; N60-R64 WeakPolarHBondContact O-CB 3.29Å; N60-R64 PolarHBondContact O-N 3.24Å
61E87.7Confident81.4Confident10 Ų1059.7 Ų59.75%0.04730%0.302CS..Hα-helixtrans-61.3-48.9174.9-177.864.7-165.700112I25 R29 E57 Q58 M59 R64 L65 F328I25-E61 HydrophobicContact CD1-CB 4.08Å; I25-E61 HydrophobicContact CD1-CG 4.06Å; I25-E61 HydrophobicContact CG1-CG 4.09Å; I25-E61 HydrophobicContact CG2-CG 4.29Å; R29-E61 IonicContact CZ-OE1 2.68Å; R29-E61 IonicContact NE-OE1 3.6Å; R29-E61 PolarHBondContact NE-OE1 3.24Å; R29-E61 IonicContact NH2-OE1 3.49Å; R29-E61 PolarHBondContact NH2-OE1 2.93Å; E57-E61 WeakPolarHBondContact O-CB 3.41Å; E57-E61 PolarHBondContact O-N 3.34Å; Q58-E61 WeakPolarHBondContact O-CB 3.42Å; Q58-E61 PolarHBondContact O-N 2.64Å; M59-E61 VanDerWaalsContact C-N 3.25Å; M59-E61 PolarHBondContact O-N 3.5Å; E61-R64 PolarHBondContact O-N 3.48Å; E61-R64 IonicContact OE1-CZ 2.99Å; E61-R64 IonicContact OE1-NH2 2.69Å; E61-R64 PolarHBondContact OE1-NH2 3.13Å; E61-R64 IonicContact OE2-CZ 3.72Å; E61-R64 IonicContact OE2-NH1 2.71Å; E61-R64 PolarHBondContact OE2-NH1 3.27Å; E61-R64 IonicContact OE2-NH2 3.17Å; E61-R64 PolarHBondContact OE2-NH2 3.18Å; E61-L65 HydrophobicContact CG-CD1 4.23Å; E61-L65 WeakPolarHBondContact O-CG 3.34Å; E61-L65 PolarHBondContact O-N 2.92Å; E61-L65 VanDerWaalsContact O-N 3.15Å; E61-F328 HydrophobicContact CG-CB 4.47Å; E61-F328 HydrophobicContact CG-CG 4.38Å
62V89.9Confident82.5Confident5 Ų559.3 Ų59.33%0.0330%0.302CS..Hα-helixtrans-61-48.2176.6171.50000110.7L24 I25 L36 Q58 M59 R64 L65 C66L24-V62 HydrophobicContact CD2-CG1 3.82Å; L24-V62 HydrophobicContact CD2-CG2 3.93Å; L24-V62 HydrophobicContact CG-CG2 4.43Å; I25-V62 HydrophobicContact CD1-CG2 4.27Å; I25-V62 HydrophobicContact CG1-CG2 3.83Å; L36-V62 HydrophobicContact CD1-CG1 4.15Å; Q58-V62 WeakPolarHBondContact O-CG2 3.31Å; Q58-V62 PolarHBondContact O-N 2.67Å; M59-V62 PolarHBondContact O-N 2.73Å; V62-R64 VanDerWaalsContact C-N 3.25Å; V62-R64 PolarHBondContact O-N 3.38Å; V62-L65 PolarHBondContact O-N 3.42Å; V62-L65 VanDerWaalsContact O-N 3.1Å; V62-C66 PolarHBondContact O-N 3.36Å; V62-C66 PolarHBondContact O-SG 3.28Å
63L88.4Confident83.9Confident17 Ų1758 Ų589%0.08929%0.294CS..Hα-helixtrans-60-34.9-179.9-69.1171.8000112.5L42 M59 N60 R70 L86 V89L42-L63 HydrophobicContact CD2-CD2 3.62Å; M59-L63 HydrophobicContact CG-CD1 4.07Å; M59-L63 HydrophobicContact CG-CG 4.35Å; M59-L63 WeakPolarHBondContact O-CB 3.35Å; M59-L63 WeakPolarHBondContact O-CG 3.39Å; M59-L63 PolarHBondContact O-N 2.95Å; M59-L63 HydrophobicContact SD-CG 4.41Å; N60-L63 PolarHBondContact O-N 3.13Å; L63-R70 PolarHBondContact O-NH1 3.32Å; L63-R70 PolarHBondContact O-NH2 3.2Å; L63-L86 HydrophobicContact CD1-CD1 4.27Å; L63-V89 HydrophobicContact CD1-CG1 4.33Å
64R87.7Confident85.5Confident158 Ų15856 Ų5660%0.59629%0.285SS*.Hα-helixtrans-71.1-33.6176.7-167.7-176.877-130.9-6.9112.7N60 E61 V62N60-R64 WeakPolarHBondContact O-CB 3.29Å; N60-R64 PolarHBondContact O-N 3.24Å; E61-R64 PolarHBondContact O-N 3.48Å; E61-R64 IonicContact OE1-CZ 2.99Å; E61-R64 IonicContact OE1-NH2 2.69Å; E61-R64 PolarHBondContact OE1-NH2 3.13Å; E61-R64 IonicContact OE2-CZ 3.72Å; E61-R64 IonicContact OE2-NH1 2.71Å; E61-R64 PolarHBondContact OE2-NH1 3.27Å; E61-R64 IonicContact OE2-NH2 3.17Å; E61-R64 PolarHBondContact OE2-NH2 3.18Å; V62-R64 VanDerWaalsContact C-N 3.25Å; V62-R64 PolarHBondContact O-N 3.38Å
65L89.2Confident87Confident55 Ų5555.4 Ų55.429%0.28829%0.285SS..Hα-helixtrans-84-18.5-179.9-67.1172.4000113L28 E61 V62L28-L65 HydrophobicContact CB-CD1 4.02Å; L28-L65 HydrophobicContact CD1-CB 4.29Å; L28-L65 HydrophobicContact CD1-CD1 3.64Å; L28-L65 HydrophobicContact CG-CD1 4.4Å; E61-L65 HydrophobicContact CG-CD1 4.23Å; E61-L65 WeakPolarHBondContact O-CG 3.34Å; E61-L65 PolarHBondContact O-N 2.92Å; E61-L65 VanDerWaalsContact O-N 3.15Å; V62-L65 PolarHBondContact O-N 3.42Å; V62-L65 VanDerWaalsContact O-N 3.1Å
66C90.2Very high88Confident9 Ų954.6 Ų54.66%0.06129%0.286CS..SBendtrans-76.4148.7174.7-73.80000113L36 V62 R70L36-C66 HydrophobicContact CB-CB 4.37Å; L36-C66 WeakPolarHBondContact CD1-SG 3.44Å; V62-C66 PolarHBondContact O-N 3.36Å; V62-C66 PolarHBondContact O-SG 3.28Å; C66-R70 PolarHBondContact O-NH1 3.1Å
67S86.9Confident88.2Confident17 Ų1756 Ų5612%0.11930%0.297CS..  trans-51.7133.2171.1-1730000112.7L36 S37 T69 R70L36-S67 PolarHBondContact O-N 3.47Å; L36-S67 VanDerWaalsContact O-N 3.12Å; S37-S67 VanDerWaalsContact O-CB 3.3Å; S37-S67 WeakPolarHBondContact O-CB 3.3Å; S67-T69 PolarHBondContact O-N 3.11Å; S67-T69 PolarHBondContact OG-N 3.43Å; S67-T69 PolarHBondContact OG-OG1 3.04Å; S67-T69 VanDerWaalsContact OG-OG1 3.14Å; S67-R70 WeakPolarHBondContact O-CD 3.38Å; S67-R70 VanDerWaalsContact O-CG 3.24Å; S67-R70 WeakPolarHBondContact O-CG 3.45Å; S67-R70 PolarHBondContact O-NH1 2.79Å
68P83.9Confident88.1Confident97 Ų9752.6 Ų52.663%0.6328%0.284SS*.THydrogen-bonded Turntrans-70.4-20.2176.929-34.6000113.1R70 Q92P68-R70 VanDerWaalsContact C-N 3.26Å; P68-R70 PolarHBondContact O-N 3.26Å; P68-Q92 PolarHBondContact O-NE2 3.2Å
69T87.7Confident87.9Confident127 Ų12756.3 Ų56.378%0.77930%0.302SS*.THydrogen-bonded Turntrans-92.834.2-178.858.30000112.6S67S67-T69 PolarHBondContact O-N 3.11Å; S67-T69 PolarHBondContact OG-N 3.43Å; S67-T69 PolarHBondContact OG-OG1 3.04Å; S67-T69 VanDerWaalsContact OG-OG1 3.14Å
70R92.5Very high87.5Confident34 Ų3457.8 Ų57.813%0.12831%0.313CS..  trans-98.1149.1-178.971.4-172.9179-98.43.8111.8V39 E40 L63 C66 S67 P68 T72V39-R70 WeakPolarHBondContact O-CB 3.31Å; E40-R70 CarbonylContact O-C 3.44Å; E40-R70 WeakPolarHBondContact O-CA 3.47Å; L63-R70 PolarHBondContact O-NH1 3.32Å; L63-R70 PolarHBondContact O-NH2 3.2Å; C66-R70 PolarHBondContact O-NH1 3.1Å; S67-R70 WeakPolarHBondContact O-CD 3.38Å; S67-R70 VanDerWaalsContact O-CG 3.24Å; S67-R70 WeakPolarHBondContact O-CG 3.45Å; S67-R70 PolarHBondContact O-NH1 2.79Å; P68-R70 VanDerWaalsContact C-N 3.26Å; P68-R70 PolarHBondContact O-N 3.26Å; R70-T72 PolarHBondContact NE-OG1 2.84Å
71Q94.1Very high87.4Confident110 Ų11058.7 Ų58.751%0.51432%0.318SS..EExtended strand (participates in β ladder)trans-73.9128.2159-173.6176.219.800108.6E40 I41 L42 M73E40-Q71 PolarHBondContact O-N 3.28Å; I41-Q71 CarbonylContact C-O 3.54Å; I41-Q71 WeakPolarHBondContact CA-O 3.01Å; I41-Q71 HydrophobicContact CG1-CB 4.48Å; L42-Q71 PolarHBondContact N-O 2.92Å; Q71-M73 VanDerWaalsContact CD-CE 3.49Å; Q71-M73 HydrophobicContact CG-CE 4.25Å
72T94.7Very high87.1Confident24 Ų2463.5 Ų63.515%0.14734%0.34CS..EExtended strand (participates in β ladder)trans-114.1134.1172.4-56.60000109L42 L44 R70 S90 L91L42-T72 HydrophobicContact CB-CG2 4.32Å; L42-T72 HydrophobicContact CD2-CG2 4.15Å; L42-T72 HydrophobicContact CG-CG2 4.27Å; L42-T72 CarbonylContact O-C 3.42Å; L42-T72 VanDerWaalsContact O-CA 3.28Å; L42-T72 WeakPolarHBondContact O-CA 3.4Å; L44-T72 HydrophobicContact CD1-CG2 4.24Å; L44-T72 HydrophobicContact CG-CG2 4.31Å; R70-T72 PolarHBondContact NE-OG1 2.84Å; T72-S90 WeakPolarHBondContact CB-O 3.19Å; T72-S90 PolarHBondContact OG1-O 2.91Å; T72-L91 HydrophobicContact CG2-CD2 3.7Å; T72-L91 WeakPolarHBondContact O-CD2 3.36Å
73M96.3Very high86.9Confident63 Ų6363.3 Ų63.331%0.3134%0.339SS..EExtended strand (participates in β ladder)trans-120136.8174.2-57.3-179-172.600108.5I41 L42 I43 L44 Q71 F75I41-M73 HydrophobicContact CG2-CE 4.48Å; L42-M73 PolarHBondContact O-N 2.98Å; I43-M73 WeakPolarHBondContact CA-O 3.4Å; I43-M73 HydrophobicContact CG1-CB 4.45Å; L44-M73 PolarHBondContact N-O 3.45Å; Q71-M73 VanDerWaalsContact CD-CE 3.49Å; Q71-M73 HydrophobicContact CG-CE 4.25Å; M73-F75 HydrophobicContact CB-CD2 4.49Å; M73-F75 HydrophobicContact CB-CE2 3.67Å; M73-F75 HydrophobicContact CB-CZ 4.19Å; M73-F75 HydrophobicContact SD-CE2 4.45Å; M73-F75 HydrophobicContact SD-CZ 4.39Å
74L93.6Very high86.7Confident30 Ų3067.4 Ų67.416%0.15736%0.356CS..EExtended strand (participates in β ladder)trans-124.5126.2179.7-175.8155.4000109.2L44 A47 M79 V83 L86 A87 L91L44-L74 HydrophobicContact CB-CB 4.34Å; L44-L74 HydrophobicContact CB-CG 4.26Å; L44-L74 HydrophobicContact CD1-CD1 4.36Å; L44-L74 WeakPolarHBondContact O-CA 3.48Å; A47-L74 HydrophobicContact CB-CD1 3.95Å; A47-L74 HydrophobicContact CB-CD2 3.67Å; A47-L74 HydrophobicContact CB-CG 3.68Å; L74-M79 HydrophobicContact CD2-CE 4.5Å; L74-V83 HydrophobicContact CD2-CG1 4.13Å; L74-L86 HydrophobicContact CD1-CD2 4.25Å; L74-L86 HydrophobicContact CD1-CG 4.12Å; L74-A87 HydrophobicContact CD1-CB 3.99Å; L74-L91 HydrophobicContact CB-CD1 3.87Å; L74-L91 HydrophobicContact CB-CD2 4.25Å; L74-L91 HydrophobicContact CB-CG 4.44Å; L74-L91 HydrophobicContact CD1-CD1 4.48Å
75F92.4Very high86.6Confident104 Ų10465 Ų6546%0.45636%0.355SS..  trans-119.3132.8177.6-59.1-88000109.1I43 L44 E46 A47 M73I43-F75 HydrophobicContact CG2-CD2 3.8Å; I43-F75 HydrophobicContact CG2-CE2 3.8Å; L44-F75 PolarHBondContact O-N 3.05Å; E46-F75 PolarHBondContact N-O 3.22Å; E46-F75 VanDerWaalsContact N-O 3.13Å; A47-F75 PolarHBondContact N-O 3.34Å; M73-F75 HydrophobicContact CB-CD2 4.49Å; M73-F75 HydrophobicContact CB-CE2 3.67Å; M73-F75 HydrophobicContact CB-CZ 4.19Å; M73-F75 HydrophobicContact SD-CE2 4.45Å; M73-F75 HydrophobicContact SD-CZ 4.39Å
76S86.9Confident86.4Confident36 Ų3662.8 Ų62.825%0.25234%0.343SS..  trans-155145.4175.1-179.40000110.8D48 T78D48-S76 VanDerWaalsContact CB-OG 3.31Å; D48-S76 WeakPolarHBondContact CB-OG 3.43Å; D48-S76 VanDerWaalsContact CG-OG 3.26Å; D48-S76 PolarHBondContact N-OG 3.41Å; D48-S76 PolarHBondContact OD1-OG 3.22Å; S76-T78 PolarHBondContact O-N 3.34Å; S76-T78 PolarHBondContact OG-N 2.93Å; S76-T78 PolarHBondContact OG-O 2.67Å
77A77.7Confident86.3Confident75 Ų7563.2 Ų63.262%0.6235%0.347SS*.SBendtrans-72.7-14.8173.200000112.9
78T75.4Confident86.4Confident31 Ų3166.1 Ų66.119%0.1937%0.372CS..  trans-144.2156.4-178.3630000112.3D48 S76 K219D48-T78 WeakPolarHBondContact CB-OG1 3.18Å; D48-T78 PolarHBondContact OD2-OG1 2.67Å; S76-T78 PolarHBondContact O-N 3.34Å; S76-T78 PolarHBondContact OG-N 2.93Å; S76-T78 PolarHBondContact OG-O 2.67Å; T78-K219 HydrophobicContact CG2-CD 4.01Å; T78-K219 HydrophobicContact CG2-CG 4.44Å; T78-K219 WeakPolarHBondContact OG1-CE 3.33Å; T78-K219 PolarHBondContact OG1-NZ 2.7Å
79M80.9Confident86.4Confident88 Ų8866.2 Ų66.243%0.43337%0.371SS..  trans-11775.2176.7-79.4-78.3173.600110.9L74 V83 F98L74-M79 HydrophobicContact CD2-CE 4.5Å; M79-V83 HydrophobicContact CE-CG1 4.37Å; M79-V83 HydrophobicContact SD-CG1 3.89Å; M79-F98 HydrophobicContact CE-CE1 4.08Å; M79-F98 HydrophobicContact CG-CE1 3.95Å; M79-F98 HydrophobicContact SD-CE1 4.28Å
80S78.5Confident86.4Confident37 Ų3760.5 Ų60.526%0.25934%0.337SS..  trans-74.5168.3168.575.50000110.9E82 V83 K84S80-E82 VanDerWaalsContact C-N 3.28Å; S80-E82 WeakPolarHBondContact CB-OE2 3.28Å; S80-E82 PolarHBondContact O-N 3.12Å; S80-E82 PolarHBondContact OG-OE2 3.06Å; S80-V83 PolarHBondContact O-N 3.29Å; S80-V83 WeakPolarHBondContact OG-CG2 3.48Å; S80-V83 PolarHBondContact OG-N 3.15Å; S80-K84 WeakPolarHBondContact O-CG 3.29Å; S80-K84 PolarHBondContact O-N 3.39Å
81D80.5Confident86.3Confident105 Ų10560.2 Ų60.256%0.56134%0.337SS*.Hα-helixtrans-65.3-35.1178.4-66.9-30.2000111.4V83 K84 D85D81-V83 VanDerWaalsContact C-N 3.31Å; D81-V83 PolarHBondContact O-N 3.19Å; D81-K84 WeakPolarHBondContact O-CB 3.45Å; D81-K84 PolarHBondContact O-N 3.37Å; D81-K84 VanDerWaalsContact O-N 3.12Å; D81-K84 IonicContact OD1-NZ 2.75Å; D81-K84 PolarHBondContact OD1-NZ 3.41Å; D81-D85 PolarHBondContact O-N 2.81Å
82E82Confident86.1Confident112 Ų11262.5 Ų62.552%0.52335%0.348SS..Hα-helixtrans-63.3-38.4174.3-51.384179.500111.6L51 S80 K84 D85 L86L51-E82 HydrophobicContact CB-CB 4.34Å; L51-E82 HydrophobicContact CD1-CB 3.72Å; L51-E82 WeakPolarHBondContact CD1-O 3.32Å; S80-E82 VanDerWaalsContact C-N 3.28Å; S80-E82 WeakPolarHBondContact CB-OE2 3.28Å; S80-E82 PolarHBondContact O-N 3.12Å; S80-E82 PolarHBondContact OG-OE2 3.06Å; E82-K84 VanDerWaalsContact C-N 3.33Å; E82-D85 PolarHBondContact O-N 2.94Å; E82-L86 WeakPolarHBondContact O-CB 3.35Å; E82-L86 PolarHBondContact O-N 3.49Å
83V84.3Confident85.9Confident0 Ų071.3 Ų71.30%038%0.384CS..Hα-helixtrans-66.5-37.7175.6177.30000111A47 D48 L51 L74 M79 S80 D81 D85 L86 A87A47-V83 HydrophobicContact CB-CG1 4.35Å; D48-V83 HydrophobicContact CB-CG2 3.61Å; L51-V83 HydrophobicContact CD1-CB 4.48Å; L51-V83 HydrophobicContact CD1-CG2 4Å; L74-V83 HydrophobicContact CD2-CG1 4.13Å; M79-V83 HydrophobicContact CE-CG1 4.37Å; M79-V83 HydrophobicContact SD-CG1 3.89Å; S80-V83 PolarHBondContact O-N 3.29Å; S80-V83 WeakPolarHBondContact OG-CG2 3.48Å; S80-V83 PolarHBondContact OG-N 3.15Å; D81-V83 VanDerWaalsContact C-N 3.31Å; D81-V83 PolarHBondContact O-N 3.19Å; V83-D85 VanDerWaalsContact C-N 3.34Å; V83-L86 PolarHBondContact O-N 3.13Å; V83-A87 VanDerWaalsContact O-CB 3.28Å; V83-A87 WeakPolarHBondContact O-CB 3.45Å; V83-A87 PolarHBondContact O-N 3.42Å
84K84.9Confident85.7Confident104 Ų10470.9 Ų70.945%0.45239%0.386SS..Hα-helixtrans-64.5-41.4174.8-67172.5-162.6158.70111S80 D81 E82 A87 A88S80-K84 WeakPolarHBondContact O-CG 3.29Å; S80-K84 PolarHBondContact O-N 3.39Å; D81-K84 WeakPolarHBondContact O-CB 3.45Å; D81-K84 PolarHBondContact O-N 3.37Å; D81-K84 VanDerWaalsContact O-N 3.12Å; D81-K84 IonicContact OD1-NZ 2.75Å; D81-K84 PolarHBondContact OD1-NZ 3.41Å; E82-K84 VanDerWaalsContact C-N 3.33Å; K84-A87 PolarHBondContact O-N 2.85Å; K84-A88 WeakPolarHBondContact O-CB 3.42Å; K84-A88 PolarHBondContact O-N 3.2Å
85D85.6Confident85.7Confident106 Ų10675.8 Ų75.857%0.56742%0.417SS*.Hα-helixtrans-64.4-46.2176.8-69.4-17.1000110.8D81 E82 V83 A87 A88 V89D81-D85 PolarHBondContact O-N 2.81Å; E82-D85 PolarHBondContact O-N 2.94Å; V83-D85 VanDerWaalsContact C-N 3.34Å; D85-A87 VanDerWaalsContact C-N 3.32Å; D85-A87 PolarHBondContact O-N 3.37Å; D85-A88 PolarHBondContact O-N 2.98Å; D85-A88 VanDerWaalsContact O-N 3.15Å; D85-V89 WeakPolarHBondContact O-CG2 3.19Å; D85-V89 PolarHBondContact O-N 3.16Å
86L86.2Confident85.5Confident9 Ų978 Ų785%0.04743%0.427CS..Hα-helixtrans-59-44174.217760.9000111.5L44 A47 L51 M59 L63 L74 E82 V83 A88 V89 S90L44-L86 HydrophobicContact CD1-CD1 4.42Å; L44-L86 HydrophobicContact CD1-CG 4.49Å; A47-L86 HydrophobicContact CB-CD2 4.07Å; L51-L86 HydrophobicContact CD1-CB 3.87Å; L51-L86 HydrophobicContact CD1-CD2 3.94Å; L51-L86 HydrophobicContact CD2-CB 4.34Å; L51-L86 HydrophobicContact CD2-CD2 4.09Å; L51-L86 HydrophobicContact CG-CD2 4.07Å; M59-L86 HydrophobicContact CB-CD1 4.47Å; M59-L86 HydrophobicContact CG-CD1 3.44Å; M59-L86 VanDerWaalsContact CG-CD1 3.44Å; L63-L86 HydrophobicContact CD1-CD1 4.27Å; L74-L86 HydrophobicContact CD1-CD2 4.25Å; L74-L86 HydrophobicContact CD1-CG 4.12Å; E82-L86 WeakPolarHBondContact O-CB 3.35Å; E82-L86 PolarHBondContact O-N 3.49Å; V83-L86 PolarHBondContact O-N 3.13Å; L86-A88 VanDerWaalsContact C-N 3.33Å; L86-A88 PolarHBondContact O-N 2.92Å; L86-V89 PolarHBondContact O-N 3.26Å; L86-S90 VanDerWaalsContact O-CB 3.25Å; L86-S90 WeakPolarHBondContact O-CB 3.48Å; L86-S90 PolarHBondContact O-N 2.89Å; L86-S90 PolarHBondContact O-OG 3.14Å
87A87.9Confident85.5Confident18 Ų1883.7 Ų83.715%0.14945%0.453CS..Hα-helixtrans-61.9-41176.300000111.7L74 V83 K84 D85 V89 S90 L91L74-A87 HydrophobicContact CD1-CB 3.99Å; V83-A87 VanDerWaalsContact O-CB 3.28Å; V83-A87 WeakPolarHBondContact O-CB 3.45Å; V83-A87 PolarHBondContact O-N 3.42Å; K84-A87 PolarHBondContact O-N 2.85Å; D85-A87 VanDerWaalsContact C-N 3.32Å; D85-A87 PolarHBondContact O-N 3.37Å; A87-V89 VanDerWaalsContact C-N 3.34Å; A87-V89 PolarHBondContact O-N 3.41Å; A87-S90 PolarHBondContact O-N 3.36Å; A87-L91 HydrophobicContact CB-CD1 3.81Å; A87-L91 WeakPolarHBondContact O-CB 3.33Å; A87-L91 WeakPolarHBondContact O-CG 3.11Å; A87-L91 PolarHBondContact O-N 3.03Å
88A87.5Confident85.5Confident78 Ų7886 Ų8665%0.64545%0.449SS*.Hα-helixtrans-66-35.4179.300000112.6K84 D85 L86K84-A88 WeakPolarHBondContact O-CB 3.42Å; K84-A88 PolarHBondContact O-N 3.2Å; D85-A88 PolarHBondContact O-N 2.98Å; D85-A88 VanDerWaalsContact O-N 3.15Å; L86-A88 VanDerWaalsContact C-N 3.33Å; L86-A88 PolarHBondContact O-N 2.92Å
89V85Confident85.4Confident100 Ų10091.1 Ų91.161%0.60647%0.474SS*.Hα-helixtrans-81.7-31.1179.2176.60000112.2L63 D85 L86 A87L63-V89 HydrophobicContact CD1-CG1 4.33Å; D85-V89 WeakPolarHBondContact O-CG2 3.19Å; D85-V89 PolarHBondContact O-N 3.16Å; L86-V89 PolarHBondContact O-N 3.26Å; A87-V89 VanDerWaalsContact C-N 3.34Å; A87-V89 PolarHBondContact O-N 3.41Å
90S87Confident84.3Confident7 Ų793.9 Ų93.95%0.04949%0.491CS..Hα-helixtrans-97.9-25.4-172.663.40000115.2T72 L86 A87T72-S90 WeakPolarHBondContact CB-O 3.19Å; T72-S90 PolarHBondContact OG1-O 2.91Å; L86-S90 VanDerWaalsContact O-CB 3.25Å; L86-S90 WeakPolarHBondContact O-CB 3.48Å; L86-S90 PolarHBondContact O-N 2.89Å; L86-S90 PolarHBondContact O-OG 3.14Å; A87-S90 PolarHBondContact O-N 3.36Å
91L90.9Very high83.1Confident28 Ų2899.2 Ų99.215%0.14751%0.512CS..  trans-108.1140.6-172.4-57.8168.2000112.3T72 L74 A87 P94T72-L91 HydrophobicContact CG2-CD2 3.7Å; T72-L91 WeakPolarHBondContact O-CD2 3.36Å; L74-L91 HydrophobicContact CB-CD1 3.87Å; L74-L91 HydrophobicContact CB-CD2 4.25Å; L74-L91 HydrophobicContact CB-CG 4.44Å; L74-L91 HydrophobicContact CD1-CD1 4.48Å; A87-L91 HydrophobicContact CB-CD1 3.81Å; A87-L91 WeakPolarHBondContact O-CB 3.33Å; A87-L91 WeakPolarHBondContact O-CG 3.11Å; A87-L91 PolarHBondContact O-N 3.03Å; L91-P94 HydrophobicContact CB-CB 3.99Å; L91-P94 HydrophobicContact CB-CG 3.86Å; L91-P94 HydrophobicContact CD1-CB 3.97Å; L91-P94 HydrophobicContact CD1-CG 4.05Å; L91-P94 HydrophobicContact CG-CB 4.43Å
92Q89.2Confident81.6Confident157 Ų15798.3 Ų98.373%0.73451%0.507SS*.SBendtrans-105.8114.2172.7-63.517929.100110.1P68P68-Q92 PolarHBondContact O-NE2 3.2Å
93K90.5Very high80.2Confident210 Ų21097.5 Ų97.591%0.91351%0.51SS*.SBendtrans41.456.6-179.3-62.2-177.9-178176.60113.4
94P93Very high78.9Confident54 Ų54100.4 Ų100.435%0.35152%0.523SS..  trans-67.4142.5-173.328.8-35.9000112.2L91 K96L91-P94 HydrophobicContact CB-CB 3.99Å; L91-P94 HydrophobicContact CB-CG 3.86Å; L91-P94 HydrophobicContact CD1-CB 3.97Å; L91-P94 HydrophobicContact CD1-CG 4.05Å; L91-P94 HydrophobicContact CG-CB 4.43Å; P94-K96 HydrophobicContact CG-CG 4.46Å; P94-K96 PolarHBondContact O-N 2.79Å
95V93.5Very high77.9Confident133 Ų13395.9 Ų95.981%0.80650%0.504SS*.  trans-70121.9158.6177.90000107.3L97V95-L97 HydrophobicContact CG1-CD2 4.42Å; V95-L97 HydrophobicContact CG1-CG 4.42Å
96K87.8Confident77.1Confident151 Ų15192.9 Ų92.966%0.65749%0.494SS*.  trans-98.8110.4-178.1-58.7-178.4-178.1-179.70109.4P94 F98P94-K96 HydrophobicContact CG-CG 4.46Å; P94-K96 PolarHBondContact O-N 2.79Å; K96-F98 HydrophobicContact CB-CD2 4.2Å; K96-F98 HydrophobicContact CB-CE2 3.5Å; K96-F98 VanDerWaalsContact CB-CE2 3.5Å; K96-F98 HydrophobicContact CB-CZ 4.03Å; K96-F98 HydrophobicContact CD-CE2 4.08Å; K96-F98 HydrophobicContact CD-CZ 4.13Å; K96-F98 HydrophobicContact CG-CE2 4.37Å
97L87.2Confident76.4Confident155 Ų15598.1 Ų98.181%0.81252%0.521SS*.  trans-100.9110.7171.2-63.8176.5000107.9V95V95-L97 HydrophobicContact CG1-CD2 4.42Å; V95-L97 HydrophobicContact CG1-CG 4.42Å
98F78.4Confident76.1Confident123 Ų123101.5 Ų101.554%0.53954%0.537SS..  trans-102.3108.6168.7-59.6-81.9000106.7M79 K96 N100M79-F98 HydrophobicContact CE-CE1 4.08Å; M79-F98 HydrophobicContact CG-CE1 3.95Å; M79-F98 HydrophobicContact SD-CE1 4.28Å; K96-F98 HydrophobicContact CB-CD2 4.2Å; K96-F98 HydrophobicContact CB-CE2 3.5Å; K96-F98 VanDerWaalsContact CB-CE2 3.5Å; K96-F98 HydrophobicContact CB-CZ 4.03Å; K96-F98 HydrophobicContact CD-CE2 4.08Å; K96-F98 HydrophobicContact CD-CZ 4.13Å; K96-F98 HydrophobicContact CG-CE2 4.37Å; F98-N100 PolarHBondContact O-N 3.32Å
99I72.4Confident76.2Confident138 Ų13898 Ų9871%0.70851%0.508SS*.  trans-73118.8156.8-54.1175.5000102.9E101I99-E101 HydrophobicContact CB-CG 4.18Å; I99-E101 HydrophobicContact CG2-CG 3.66Å; I99-E101 PolarHBondContact O-N 3.29Å
100N57.3Low76.5Confident147 Ų14795.6 Ų95.679%0.78649%0.491SS*.  trans-66.470.3163.1-72.3-19.3000106.5F98 N102F98-N100 PolarHBondContact O-N 3.32Å; N100-N102 PolarHBondContact O-N 2.89Å
101E52.9Low76.8Confident148 Ų14895.3 Ų95.369%0.69249%0.489SS*.  trans-68.393.3155.1-67.1-163.1-162.700103I99 T103I99-E101 HydrophobicContact CB-CG 4.18Å; I99-E101 HydrophobicContact CG2-CG 3.66Å; I99-E101 PolarHBondContact O-N 3.29Å; E101-T103 VanDerWaalsContact C-N 3.31Å; E101-T103 PolarHBondContact O-N 3.42Å
102N50Low77Confident86 Ų8694.6 Ų94.646%0.4649%0.485SS..  trans-11.399.9142.7-90.84.6000109.4N100 E104N100-N102 PolarHBondContact O-N 2.89Å; N102-E104 HydrophobicContact CB-CB 3.6Å; N102-E104 HydrophobicContact CB-CG 3.55Å; N102-E104 VanDerWaalsContact CG-CG 3.4Å; N102-E104 VanDerWaalsContact ND2-CD 3.32Å; N102-E104 PolarHBondContact ND2-OE2 2.65Å; N102-E104 CarbonylContact O-C 3.57Å; N102-E104 PolarHBondContact O-N 3.21Å; N102-E104 PolarHBondContact OD1-OE2 3.03Å
103T51.5Low77.3Confident96 Ų9687.7 Ų87.759%0.58945%0.452SS*.SBendtrans-55.5-8.7156.3-10.10000109.8E101 L222E101-T103 VanDerWaalsContact C-N 3.31Å; E101-T103 PolarHBondContact O-N 3.42Å; T103-L222 HydrophobicContact CG2-CD2 4.29Å
104E58.5Low77.5Confident61 Ų6178.1 Ų78.129%0.28541%0.411SS..SBendtrans-62.4125.5164.3-27.1-178.3152.800111.7N102 K257N102-E104 HydrophobicContact CB-CB 3.6Å; N102-E104 HydrophobicContact CB-CG 3.55Å; N102-E104 VanDerWaalsContact CG-CG 3.4Å; N102-E104 VanDerWaalsContact ND2-CD 3.32Å; N102-E104 PolarHBondContact ND2-OE2 2.65Å; N102-E104 CarbonylContact O-C 3.57Å; N102-E104 PolarHBondContact O-N 3.21Å; N102-E104 PolarHBondContact OD1-OE2 3.03Å; E104-K257 HydrophobicContact CB-CD 4.27Å; E104-K257 WeakPolarHBondContact OE1-CE 3.47Å; E104-K257 IonicContact OE1-NZ 2.62Å; E104-K257 PolarHBondContact OE1-NZ 2.98Å; E104-K257 WeakPolarHBondContact OE2-CD 3.34Å; E104-K257 WeakPolarHBondContact OE2-CE 3.37Å; E104-K257 IonicContact OE2-NZ 2.61Å; E104-K257 PolarHBondContact OE2-NZ 2.97Å
105M63.4Low77.6Confident8 Ų880.8 Ų80.84%0.03941%0.414CS..PPolyproline II helixtrans-54.2148.3170.7-68.7177.7-74.500111.5L107 L109 Q111 Y221 L222 I252 S256M105-L107 PolarHBondContact O-N 3.38Å; M105-L109 HydrophobicContact CB-CD2 4.3Å; M105-L109 HydrophobicContact SD-CD2 4.42Å; M105-Q111 VanDerWaalsContact CE-NE2 3.3Å; M105-Q111 PolarHBondContact SD-NE2 3.46Å; M105-Q111 VanDerWaalsContact SD-NE2 3.39Å; M105-Q111 PolarHBondContact SD-OE1 3.09Å; M105-Y221 HydrophobicContact SD-CE1 3.85Å; M105-L222 HydrophobicContact CG-CD1 3.56Å; M105-I252 HydrophobicContact CE-CG2 4.49Å; M105-S256 WeakPolarHBondContact CE-OG 3.29Å
106A68Low77.7Confident44 Ų4474.8 Ų74.836%0.36438%0.377SS..PPolyproline II helixtrans-52128.9176.400000110N108 L109 A229A106-N108 PolarHBondContact O-N 3.35Å; A106-L109 HydrophobicContact CB-CB 4.37Å; A106-L109 WeakPolarHBondContact O-CB 3.49Å; A106-L109 PolarHBondContact O-N 2.8Å; A106-A229 HydrophobicContact CB-CB 3.95Å
107L71.8Confident77.7Confident119 Ų11974.8 Ų74.862%0.62337%0.373SS*.THydrogen-bonded Turntrans-58-24.7-176.7-67.5171.3000112.8M105 L109 K257 T258M105-L107 PolarHBondContact O-N 3.38Å; L107-L109 VanDerWaalsContact C-N 3.34Å; L107-K257 HydrophobicContact CD2-CB 4.47Å; L107-K257 HydrophobicContact CD2-CD 4.49Å; L107-T258 VanDerWaalsContact O-CG2 3.28Å; L107-T258 WeakPolarHBondContact O-CG2 3.46Å
108N82.9Confident77.6Confident88 Ų8871 Ų7147%0.47136%0.359SS..THydrogen-bonded Turntrans-9311.8179.5-61.3-17.5000113.4A106 G232 S234 G235A106-N108 PolarHBondContact O-N 3.35Å; N108-G232 PolarHBondContact ND2-O 3.19Å; N108-S234 WeakPolarHBondContact O-CA 3.29Å; N108-G235 PolarHBondContact O-N 3.01Å; N108-G235 VanDerWaalsContact O-N 3.14Å
109L88.2Confident77.9Confident6 Ų670.2 Ų70.23%0.03137%0.369CS..EExtended strand (participates in β ladder)trans-88.4113.2174.9-174.669.9000110.7M105 A106 L107 Q111 V225 T228 A229 A237 T258M105-L109 HydrophobicContact CB-CD2 4.3Å; M105-L109 HydrophobicContact SD-CD2 4.42Å; A106-L109 HydrophobicContact CB-CB 4.37Å; A106-L109 WeakPolarHBondContact O-CB 3.49Å; A106-L109 PolarHBondContact O-N 2.8Å; L107-L109 VanDerWaalsContact C-N 3.34Å; L109-Q111 HydrophobicContact CD2-CG 3.92Å; L109-Q111 HydrophobicContact CG-CG 4.02Å; L109-V225 HydrophobicContact CD2-CB 3.93Å; L109-V225 HydrophobicContact CD2-CG2 3.68Å; L109-T228 HydrophobicContact CD1-CG2 3.53Å; L109-A229 HydrophobicContact CB-CB 4.07Å; L109-A229 HydrophobicContact CD1-CB 4.06Å; L109-A237 HydrophobicContact CD1-CB 4.04Å; L109-A237 HydrophobicContact CG-CB 4.47Å; L109-T258 PolarHBondContact O-OG1 2.74Å
110L91Very high78.4Confident49 Ų4967.7 Ų67.726%0.25736%0.355SS..EExtended strand (participates in β ladder)trans-85.5120.7168.2179.267.3000109.5E112 G235 K236 A237 K261L110-E112 HydrophobicContact CG-CG 4.33Å; L110-G235 PolarHBondContact N-O 2.95Å; L110-K236 HydrophobicContact CB-CG 4.24Å; L110-K236 HydrophobicContact CD2-CG 4.29Å; L110-K236 CarbonylContact O-C 3.6Å; L110-K236 WeakPolarHBondContact O-CA 3.47Å; L110-A237 PolarHBondContact O-N 3.29Å; L110-K261 HydrophobicContact CD1-CD 4.16Å
111Q93.5Very high79.8Confident0 Ų064.5 Ų64.50%034%0.335CS..EExtended strand (participates in β ladder)trans-107130.5-179-64.7169.774.200110.9M105 L109 F113 Y221 A237 S256 T258 I260 K261M105-Q111 VanDerWaalsContact CE-NE2 3.3Å; M105-Q111 PolarHBondContact SD-NE2 3.46Å; M105-Q111 VanDerWaalsContact SD-NE2 3.39Å; M105-Q111 PolarHBondContact SD-OE1 3.09Å; L109-Q111 HydrophobicContact CD2-CG 3.92Å; L109-Q111 HydrophobicContact CG-CG 4.02Å; Q111-F113 HydrophobicContact CB-CE2 4.26Å; Q111-Y221 PolarHBondContact OE1-OH 3.19Å; Q111-A237 CarbonylContact C-O 3.44Å; Q111-A237 WeakPolarHBondContact CA-O 3.06Å; Q111-S256 PolarHBondContact NE2-OG 3.49Å; Q111-T258 PolarHBondContact NE2-OG1 3.09Å; Q111-I260 HydrophobicContact CB-CG1 4.25Å; Q111-K261 PolarHBondContact O-N 3.03Å
112E95.1Very high81.4Confident14 Ų1465 Ų657%0.06534%0.337CS..EExtended strand (participates in β ladder)trans-129.8136.7179.6-56.9179.9161.400110.5L110 A237 V238 S239 K261 R263L110-E112 HydrophobicContact CG-CG 4.33Å; E112-A237 PolarHBondContact N-O 3.31Å; E112-V238 HydrophobicContact CB-CG1 4.48Å; E112-V238 HydrophobicContact CB-CG2 4.21Å; E112-V238 CarbonylContact O-C 3.6Å; E112-V238 VanDerWaalsContact O-CA 3.28Å; E112-V238 WeakPolarHBondContact O-CA 3.44Å; E112-S239 PolarHBondContact O-N 3.45Å; E112-K261 CarbonylContact C-O 3.55Å; E112-K261 WeakPolarHBondContact CA-O 3.39Å; E112-K261 HydrophobicContact CG-CB 4.31Å; E112-R263 HydrophobicContact CB-CB 4.31Å; E112-R263 VanDerWaalsContact CD-NH2 3.32Å; E112-R263 IonicContact OE1-NH2 3.54Å; E112-R263 PolarHBondContact OE1-NH2 3.22Å; E112-R263 VanDerWaalsContact OE1-NH2 3.15Å; E112-R263 IonicContact OE2-CZ 3.12Å; E112-R263 IonicContact OE2-NE 2.66Å; E112-R263 PolarHBondContact OE2-NE 3.49Å; E112-R263 IonicContact OE2-NH2 2.91Å; E112-R263 PolarHBondContact OE2-NH2 3.48Å
113F95.7Very high83.4Confident12 Ų1261.1 Ų61.15%0.05332%0.317CS..EExtended strand (participates in β ladder)trans-118.6133.8177.3-64.2-92.1000110.1Q111 L214 S239 V241 L249 I252 I260 K261 Q262 R263Q111-F113 HydrophobicContact CB-CE2 4.26Å; F113-L214 HydrophobicContact CE1-CD1 4.26Å; F113-S239 WeakPolarHBondContact CA-O 3.35Å; F113-V241 HydrophobicContact CB-CG2 4.18Å; F113-V241 HydrophobicContact CD1-CG1 3.61Å; F113-V241 HydrophobicContact CD1-CG2 4.39Å; F113-V241 HydrophobicContact CE1-CG1 4.24Å; F113-L249 HydrophobicContact CD1-CD1 3.54Å; F113-L249 HydrophobicContact CD2-CD1 4.4Å; F113-L249 HydrophobicContact CE1-CD1 3.4Å; F113-L249 HydrophobicContact CE2-CD1 4.3Å; F113-L249 HydrophobicContact CG-CD1 4.04Å; F113-L249 HydrophobicContact CZ-CD1 3.81Å; F113-I252 HydrophobicContact CE1-CD1 4.3Å; F113-I252 HydrophobicContact CZ-CD1 4.42Å; F113-I252 HydrophobicContact CZ-CG2 3.87Å; F113-I260 HydrophobicContact CD2-CG2 3.19Å; F113-I260 HydrophobicContact CE2-CB 4.26Å; F113-I260 HydrophobicContact CE2-CD1 4.02Å; F113-I260 HydrophobicContact CE2-CG1 4.04Å; F113-I260 HydrophobicContact CE2-CG2 3.26Å; F113-I260 HydrophobicContact CG-CG2 4.45Å; F113-K261 PolarHBondContact N-O 3.33Å; F113-Q262 WeakPolarHBondContact O-CA 3.33Å; F113-R263 PolarHBondContact O-N 2.95Å
114I96.3Very high85.5Confident9 Ų957.4 Ų57.45%0.04629%0.292CS..EExtended strand (participates in β ladder)trans-112.8118.6173-55.1177.2000107.2I116 V127 L131 V238 S239 L240 V241 R263 I265I114-I116 HydrophobicContact CG2-CD1 4.19Å; I114-I116 PolarHBondContact O-N 3.4Å; I114-V127 HydrophobicContact CD1-CG1 3.95Å; I114-V127 HydrophobicContact CG2-CG1 4.22Å; I114-L131 HydrophobicContact CD1-CD1 3.74Å; I114-L131 HydrophobicContact CD1-CD2 3.91Å; I114-L131 HydrophobicContact CD1-CG 4.15Å; I114-V238 HydrophobicContact CD1-CG1 3.84Å; I114-V238 HydrophobicContact CG1-CG1 4.07Å; I114-S239 PolarHBondContact N-O 3.37Å; I114-L240 HydrophobicContact CB-CD2 3.77Å; I114-L240 HydrophobicContact CD1-CD2 3.85Å; I114-L240 HydrophobicContact CG1-CD2 4.25Å; I114-L240 HydrophobicContact CG2-CD2 4.3Å; I114-L240 WeakPolarHBondContact O-CA 3.41Å; I114-V241 PolarHBondContact O-N 3.28Å; I114-R263 HydrophobicContact CD1-CG 4.18Å; I114-R263 HydrophobicContact CG1-CB 3.86Å; I114-R263 HydrophobicContact CG1-CG 4Å; I114-I265 HydrophobicContact CD1-CD1 3.88Å; I114-I265 HydrophobicContact CD1-CG1 4.29Å
115R94.8Very high87.4Confident110 Ų11055.2 Ų55.242%0.41528%0.282SS..EExtended strand (participates in β ladder)trans-81.3117.3-179.9179.7171.216682.1-5110.6V241 E243R115-V241 CarbonylContact C-O 3.6Å; R115-V241 WeakPolarHBondContact CA-O 3.36Å; R115-E243 IonicContact CZ-OE1 3.26Å; R115-E243 IonicContact CZ-OE2 3.01Å; R115-E243 IonicContact NH1-OE1 3.15Å; R115-E243 IonicContact NH1-OE2 3.65Å; R115-E243 PolarHBondContact NH1-OE2 3.14Å; R115-E243 IonicContact NH2-OE1 3.54Å; R115-E243 PolarHBondContact NH2-OE1 3.05Å; R115-E243 IonicContact NH2-OE2 3.36Å; R115-E243 PolarHBondContact NH2-OE2 2.93Å
116I94.3Very high89Confident6 Ų654.9 Ų54.93%0.03128%0.28CS..PPolyproline II helixtrans-98.2122.3171.6-53.4-59.2000107.6I114 R124 V127 L240 V241 T242I114-I116 HydrophobicContact CG2-CD1 4.19Å; I114-I116 PolarHBondContact O-N 3.4Å; I116-R124 HydrophobicContact CG1-CG 4.17Å; I116-R124 HydrophobicContact CG2-CG 4.06Å; I116-V127 HydrophobicContact CD1-CG1 4.47Å; I116-V127 HydrophobicContact CD1-CG2 4.07Å; I116-L240 HydrophobicContact CG1-CB 4.05Å; I116-V241 PolarHBondContact N-O 3.43Å; I116-T242 HydrophobicContact CB-CG2 4.28Å; I116-T242 WeakPolarHBondContact O-CA 3.18Å
117R89.4Confident90.4Very high152 Ų15253.1 Ų53.157%0.57427%0.265SS*.PPolyproline II helixtrans-79.5146175.4-62.6-178.2-176.9-174.80.2108.6S119 Q120 E121R117-S119 PolarHBondContact O-N 3.35Å; R117-S119 VanDerWaalsContact O-N 3.14Å; R117-Q120 HydrophobicContact CB-CB 4.47Å; R117-Q120 HydrophobicContact CB-CG 4.45Å; R117-Q120 CarbonylContact O-C 3.54Å; R117-Q120 WeakPolarHBondContact O-CA 3.35Å; R117-Q120 PolarHBondContact O-N 3.36Å; R117-E121 PolarHBondContact O-N 2.71Å
118S83.6Confident91.7Very high74 Ų7447.4 Ų47.452%0.51724%0.235SC..G310 helixtrans-55.8-34.7178.9-48.20000113Q120S118-Q120 PolarHBondContact O-N 2.78Å; S118-Q120 VanDerWaalsContact O-N 3.14Å
119S84.4Confident92.4Very high107 Ų10743.2 Ų43.275%0.74821%0.213SC*.G310 helixtrans-70.3-3.1174.8700000114.3R117R117-S119 PolarHBondContact O-N 3.35Å; R117-S119 VanDerWaalsContact O-N 3.14Å
120Q84.7Confident92.9Very high86 Ų8643 Ų4340%0.40221%0.212SC..G310 helixtrans-132.324.5-174.8-61.1-179.319.100111.3R117 S118 Q122 S123R117-Q120 HydrophobicContact CB-CB 4.47Å; R117-Q120 HydrophobicContact CB-CG 4.45Å; R117-Q120 CarbonylContact O-C 3.54Å; R117-Q120 WeakPolarHBondContact O-CA 3.35Å; R117-Q120 PolarHBondContact O-N 3.36Å; S118-Q120 PolarHBondContact O-N 2.78Å; S118-Q120 VanDerWaalsContact O-N 3.14Å; Q120-Q122 PolarHBondContact O-N 3.37Å; Q120-S123 WeakPolarHBondContact O-CA 3.27Å; Q120-S123 VanDerWaalsContact O-CB 3.24Å; Q120-S123 WeakPolarHBondContact O-CB 3.39Å; Q120-S123 PolarHBondContact O-N 2.92Å; Q120-S123 PolarHBondContact O-OG 3.29Å
121E86.8Confident93.2Very high79 Ų7940.8 Ų40.837%0.36920%0.2SC..THydrogen-bonded Turntrans-56.3-36.1-179.5-163.765.1-169.700112R117 S123 R124R117-E121 PolarHBondContact O-N 2.71Å; E121-S123 PolarHBondContact O-N 3.31Å; E121-S123 VanDerWaalsContact O-N 3.08Å; E121-R124 WeakPolarHBondContact O-CG 3.31Å; E121-R124 PolarHBondContact O-N 3.15Å; E121-R124 VanDerWaalsContact O-N 3.09Å; E121-R124 IonicContact OE1-CZ 3.29Å; E121-R124 IonicContact OE1-NE 3.08Å; E121-R124 PolarHBondContact OE1-NE 2.93Å; E121-R124 IonicContact OE1-NH2 3.71Å; E121-R124 PolarHBondContact OE1-NH2 3.27Å; E121-R124 IonicContact OE2-NE 3.98Å; E121-R124 IonicContact OE2-NH2 3.22Å
122Q86Confident93.4Very high158 Ų15841 Ų4174%0.73820%0.201SC*.THydrogen-bonded Turntrans-62.7-15.1174.4-55.5-58.7-13.200113.8Q120 R124Q120-Q122 PolarHBondContact O-N 3.37Å; Q122-R124 VanDerWaalsContact C-N 3.29Å; Q122-R124 PolarHBondContact O-N 3.03Å
123S90.9Very high93.6Very high5 Ų544.6 Ų44.64%0.03522%0.217CC..Hα-helixtrans-82.5-1.8176.4-560000113.1Q120 E121 E125 S126 V127 R274Q120-S123 WeakPolarHBondContact O-CA 3.27Å; Q120-S123 VanDerWaalsContact O-CB 3.24Å; Q120-S123 WeakPolarHBondContact O-CB 3.39Å; Q120-S123 PolarHBondContact O-N 2.92Å; Q120-S123 PolarHBondContact O-OG 3.29Å; E121-S123 PolarHBondContact O-N 3.31Å; E121-S123 VanDerWaalsContact O-N 3.08Å; S123-E125 VanDerWaalsContact C-N 3.34Å; S123-E125 PolarHBondContact O-N 3.49Å; S123-S126 WeakPolarHBondContact CA-OG 3.25Å; S123-S126 PolarHBondContact O-N 2.9Å; S123-S126 PolarHBondContact O-OG 3.09Å; S123-V127 VanDerWaalsContact O-CB 3.29Å; S123-V127 WeakPolarHBondContact O-CB 3.34Å; S123-V127 VanDerWaalsContact O-CG2 3.22Å; S123-V127 WeakPolarHBondContact O-CG2 3.45Å; S123-V127 PolarHBondContact O-N 2.84Å; S123-R274 PolarHBondContact OG-NE 3.24Å; S123-R274 PolarHBondContact OG-NH2 3.19Å; S123-R274 VanDerWaalsContact OG-NH2 3.12Å
124R96.2Very high93.6Very high18 Ų1851.8 Ų51.87%0.06824%0.244CC..Hα-helixtrans-61.4-42.8177.2-74.4-166.8-169.5-108.98.5112.5I116 E121 Q122 V127 L128 F212 L240I116-R124 HydrophobicContact CG1-CG 4.17Å; I116-R124 HydrophobicContact CG2-CG 4.06Å; E121-R124 WeakPolarHBondContact O-CG 3.31Å; E121-R124 PolarHBondContact O-N 3.15Å; E121-R124 VanDerWaalsContact O-N 3.09Å; E121-R124 IonicContact OE1-CZ 3.29Å; E121-R124 IonicContact OE1-NE 3.08Å; E121-R124 PolarHBondContact OE1-NE 2.93Å; E121-R124 IonicContact OE1-NH2 3.71Å; E121-R124 PolarHBondContact OE1-NH2 3.27Å; E121-R124 IonicContact OE2-NE 3.98Å; E121-R124 IonicContact OE2-NH2 3.22Å; Q122-R124 VanDerWaalsContact C-N 3.29Å; Q122-R124 PolarHBondContact O-N 3.03Å; R124-V127 PolarHBondContact O-N 3.29Å; R124-L128 WeakPolarHBondContact O-CB 3.44Å; R124-L128 PolarHBondContact O-N 2.96Å; R124-F212 HydrophobicContact CB-CE1 3.95Å; R124-F212 HydrophobicContact CB-CE2 3.81Å; R124-F212 HydrophobicContact CB-CZ 3.39Å; R124-F212 HydrophobicContact CG-CE1 4.5Å; R124-F212 HydrophobicContact CG-CZ 4.37Å; R124-F212 PolarHBondContact NH1-O 3.42Å; R124-L240 HydrophobicContact CB-CD1 4.14Å; R124-L240 HydrophobicContact CG-CD1 4.15Å; R124-L240 PolarHBondContact NH1-O 2.92Å
125E97.7Very high93.6Very high16 Ų1653.9 Ų53.98%0.07526%0.257CS..Hα-helixtrans-66-42.2-179.5-61.6-172.1156.700111.1S123 L128 L129 R152 L153 L156 F212 V277S123-E125 VanDerWaalsContact C-N 3.34Å; S123-E125 PolarHBondContact O-N 3.49Å; E125-L128 WeakPolarHBondContact O-CB 3.37Å; E125-L128 PolarHBondContact O-N 3.13Å; E125-L129 PolarHBondContact O-N 3.24Å; E125-R152 IonicContact OE1-CZ 3.3Å; E125-R152 IonicContact OE1-NE 3.76Å; E125-R152 PolarHBondContact OE1-NE 3.49Å; E125-R152 IonicContact OE1-NH2 2.64Å; E125-R152 PolarHBondContact OE1-NH2 3.1Å; E125-R152 IonicContact OE2-CZ 3.43Å; E125-R152 IonicContact OE2-NE 3.35Å; E125-R152 IonicContact OE2-NH2 3.48Å; E125-R152 PolarHBondContact OE2-NH2 2.9Å; E125-L153 HydrophobicContact CG-CD2 4.01Å; E125-L156 HydrophobicContact CB-CD2 3.9Å; E125-L156 HydrophobicContact CG-CD2 4.15Å; E125-F212 HydrophobicContact CG-CZ 4.09Å; E125-V277 HydrophobicContact CB-CG1 4.39Å; E125-V277 HydrophobicContact CB-CG2 4.09Å; E125-V277 WeakPolarHBondContact OE2-CG1 3.37Å
126S97.4Very high93.7Very high1 Ų148.9 Ų48.91%0.00724%0.238CC..Hα-helixtrans-69.2-37.6176.564.60000112.8S123 L129 A130 V270 Y273S123-S126 WeakPolarHBondContact CA-OG 3.25Å; S123-S126 PolarHBondContact O-N 2.9Å; S123-S126 PolarHBondContact O-OG 3.09Å; S126-L129 PolarHBondContact O-N 2.89Å; S126-A130 WeakPolarHBondContact O-CB 3.33Å; S126-A130 PolarHBondContact O-N 3.11Å; S126-V270 WeakPolarHBondContact OG-CG1 3.35Å; S126-Y273 WeakPolarHBondContact O-CB 3.46Å
127V97.9Very high93.7Very high6 Ų652.6 Ų52.64%0.03626%0.263CS..Hα-helixtrans-61.7-44.8171.1162.60000110.8I114 I116 S123 R124 A130 L131 L240 I265 V270I114-V127 HydrophobicContact CD1-CG1 3.95Å; I114-V127 HydrophobicContact CG2-CG1 4.22Å; I116-V127 HydrophobicContact CD1-CG1 4.47Å; I116-V127 HydrophobicContact CD1-CG2 4.07Å; S123-V127 VanDerWaalsContact O-CB 3.29Å; S123-V127 WeakPolarHBondContact O-CB 3.34Å; S123-V127 VanDerWaalsContact O-CG2 3.22Å; S123-V127 WeakPolarHBondContact O-CG2 3.45Å; S123-V127 PolarHBondContact O-N 2.84Å; R124-V127 PolarHBondContact O-N 3.29Å; V127-A130 WeakPolarHBondContact O-CB 3.29Å; V127-A130 PolarHBondContact O-N 2.98Å; V127-L131 HydrophobicContact CG1-CD1 4.42Å; V127-L131 WeakPolarHBondContact O-CG 3.48Å; V127-L131 PolarHBondContact O-N 3.02Å; V127-L240 HydrophobicContact CG1-CD1 4.25Å; V127-L240 HydrophobicContact CG1-CD2 3.58Å; V127-I265 HydrophobicContact CB-CD1 4.48Å; V127-I265 HydrophobicContact CG1-CD1 3.84Å; V127-I265 HydrophobicContact CG2-CD1 4.47Å; V127-V270 HydrophobicContact CG2-CG1 4.22Å; V127-V270 HydrophobicContact CG2-CG2 4.21Å
128L98.4Very high94Very high0 Ų047.7 Ų47.70%025%0.247CC..Hα-helixtrans-61-48.4177.5176.165.5000111.4R124 E125 A130 L131 L132 L142 L153 L157 I210 F212R124-L128 WeakPolarHBondContact O-CB 3.44Å; R124-L128 PolarHBondContact O-N 2.96Å; E125-L128 WeakPolarHBondContact O-CB 3.37Å; E125-L128 PolarHBondContact O-N 3.13Å; L128-A130 VanDerWaalsContact C-N 3.3Å; L128-A130 PolarHBondContact O-N 3.08Å; L128-L131 WeakPolarHBondContact O-CB 3.42Å; L128-L131 PolarHBondContact O-N 3.49Å; L128-L131 VanDerWaalsContact O-N 3.14Å; L128-L132 HydrophobicContact CD1-CD1 3.85Å; L128-L132 HydrophobicContact CD1-CG 4.04Å; L128-L132 HydrophobicContact CG-CD1 3.88Å; L128-L132 HydrophobicContact CG-CG 4.4Å; L128-L132 WeakPolarHBondContact O-CG 3.38Å; L128-L132 PolarHBondContact O-N 3.2Å; L128-L142 HydrophobicContact CD1-CD1 3.71Å; L128-L142 HydrophobicContact CD1-CD2 3.95Å; L128-L142 HydrophobicContact CD1-CG 4.49Å; L128-L142 HydrophobicContact CD2-CD1 4.48Å; L128-L142 HydrophobicContact CD2-CD2 3.55Å; L128-L142 HydrophobicContact CG-CD2 4.37Å; L128-L153 HydrophobicContact CD2-CD1 4.11Å; L128-L153 HydrophobicContact CD2-CD2 4.06Å; L128-L157 HydrophobicContact CD2-CD1 4.16Å; L128-L157 HydrophobicContact CD2-CD2 4.24Å; L128-L157 HydrophobicContact CG-CD2 4.47Å; L128-I210 HydrophobicContact CD1-CD1 4.31Å; L128-I210 HydrophobicContact CD1-CG2 4.21Å; L128-F212 HydrophobicContact CB-CD2 4.33Å; L128-F212 HydrophobicContact CB-CE2 4.07Å; L128-F212 HydrophobicContact CD2-CD2 3.83Å; L128-F212 HydrophobicContact CD2-CE2 3.8Å; L128-F212 HydrophobicContact CG-CD2 4.49Å
129L98.3Very high94.5Very high0 Ų046.3 Ų46.30%023%0.233CC..Hα-helixtrans-58-42.9175.5-81.8167.1000111.8E125 S126 L131 L132 K133 L157 A160 I162 Y273 V277E125-L129 PolarHBondContact O-N 3.24Å; S126-L129 PolarHBondContact O-N 2.89Å; L129-L131 VanDerWaalsContact C-N 3.33Å; L129-L131 PolarHBondContact O-N 2.97Å; L129-L132 PolarHBondContact O-N 3.45Å; L129-K133 WeakPolarHBondContact O-CB 3.36Å; L129-K133 PolarHBondContact O-N 3.36Å; L129-L157 HydrophobicContact CD2-CD2 3.49Å; L129-L157 VanDerWaalsContact CD2-CD2 3.49Å; L129-L157 HydrophobicContact CG-CD2 3.88Å; L129-A160 HydrophobicContact CD2-CB 3.6Å; L129-I162 HydrophobicContact CD2-CD1 4.03Å; L129-Y273 HydrophobicContact CB-CD1 3.74Å; L129-Y273 HydrophobicContact CB-CE1 4.38Å; L129-Y273 HydrophobicContact CB-CG 4.01Å; L129-V277 HydrophobicContact CD1-CG2 3.48Å; L129-V277 VanDerWaalsContact CD1-CG2 3.48Å
130A97.8Very high95.2Very high2 Ų241.2 Ų41.22%0.01720%0.197CC..Hα-helixtrans-60.5-41.9175.900000112.4S126 V127 L128 R134 I265 V269 Y273S126-A130 WeakPolarHBondContact O-CB 3.33Å; S126-A130 PolarHBondContact O-N 3.11Å; V127-A130 WeakPolarHBondContact O-CB 3.29Å; V127-A130 PolarHBondContact O-N 2.98Å; L128-A130 VanDerWaalsContact C-N 3.3Å; L128-A130 PolarHBondContact O-N 3.08Å; A130-R134 VanDerWaalsContact O-CB 3.23Å; A130-R134 WeakPolarHBondContact O-CB 3.46Å; A130-R134 WeakPolarHBondContact O-CG 3.29Å; A130-R134 PolarHBondContact O-N 3.3Å; A130-I265 HydrophobicContact CB-CD1 4.33Å; A130-I265 HydrophobicContact CB-CG2 4.36Å; A130-V269 HydrophobicContact CB-CG1 3.96Å; A130-Y273 VanDerWaalsContact CA-CE2 3.44Å; A130-Y273 HydrophobicContact CB-CD2 3.49Å; A130-Y273 VanDerWaalsContact CB-CD2 3.49Å; A130-Y273 HydrophobicContact CB-CE2 3.71Å; A130-Y273 HydrophobicContact CB-CG 4.39Å
131L98.3Very high95.7Very high1 Ų137.4 Ų37.41%0.00518%0.179CC..Hα-helixtrans-63.8-50.3176.7-72.5-177.6000111.5I114 V127 L128 L129 T135 F136 I210 V238 L240 I265I114-L131 HydrophobicContact CD1-CD1 3.74Å; I114-L131 HydrophobicContact CD1-CD2 3.91Å; I114-L131 HydrophobicContact CD1-CG 4.15Å; V127-L131 HydrophobicContact CG1-CD1 4.42Å; V127-L131 WeakPolarHBondContact O-CG 3.48Å; V127-L131 PolarHBondContact O-N 3.02Å; L128-L131 WeakPolarHBondContact O-CB 3.42Å; L128-L131 PolarHBondContact O-N 3.49Å; L128-L131 VanDerWaalsContact O-N 3.14Å; L129-L131 VanDerWaalsContact C-N 3.33Å; L129-L131 PolarHBondContact O-N 2.97Å; L131-T135 CarbonylContact O-C 3.5Å; L131-T135 WeakPolarHBondContact O-CA 3.4Å; L131-T135 WeakPolarHBondContact O-CB 3.31Å; L131-T135 PolarHBondContact O-N 3.08Å; L131-F136 HydrophobicContact CB-CD2 4.07Å; L131-F136 HydrophobicContact CB-CE2 4.43Å; L131-F136 HydrophobicContact CD2-CD2 4.41Å; L131-F136 HydrophobicContact CD2-CE2 3.96Å; L131-F136 PolarHBondContact O-N 3.19Å; L131-I210 HydrophobicContact CB-CD1 4.36Å; L131-I210 HydrophobicContact CD1-CD1 4.26Å; L131-V238 HydrophobicContact CD1-CG1 3.88Å; L131-L240 HydrophobicContact CD1-CD2 4.5Å; L131-I265 HydrophobicContact CD2-CD1 3.85Å; L131-I265 HydrophobicContact CG-CD1 4.11Å
132L98.4Very high96.2Very high4 Ų433.6 Ų33.62%0.02116%0.162CC..Hα-helixtrans-68-49.6-175.2-65.4174.5000111.8L128 L129 R134 F136 P137 V140 L157 I162 V190 I210L128-L132 HydrophobicContact CD1-CD1 3.85Å; L128-L132 HydrophobicContact CD1-CG 4.04Å; L128-L132 HydrophobicContact CG-CD1 3.88Å; L128-L132 HydrophobicContact CG-CG 4.4Å; L128-L132 WeakPolarHBondContact O-CG 3.38Å; L128-L132 PolarHBondContact O-N 3.2Å; L129-L132 PolarHBondContact O-N 3.45Å; L132-R134 PolarHBondContact O-N 2.8Å; L132-F136 WeakPolarHBondContact CA-O 3.43Å; L132-F136 CarbonylContact O-C 3.38Å; L132-F136 VanDerWaalsContact O-C 3.3Å; L132-P137 WeakPolarHBondContact O-CA 3.4Å; L132-V140 HydrophobicContact CD2-CB 4.06Å; L132-V140 HydrophobicContact CD2-CG1 3.85Å; L132-V140 HydrophobicContact CD2-CG2 3.92Å; L132-L157 HydrophobicContact CD1-CD1 3.64Å; L132-L157 HydrophobicContact CD1-CD2 3.93Å; L132-L157 HydrophobicContact CD1-CG 4.42Å; L132-I162 HydrophobicContact CB-CD1 3.88Å; L132-I162 HydrophobicContact CD1-CD1 4Å; L132-V190 HydrophobicContact CD1-CG2 4.09Å; L132-V190 HydrophobicContact CD2-CG2 3.8Å; L132-I210 HydrophobicContact CD2-CD1 3.99Å
133K97.3Very high96.8Very high90 Ų9026.3 Ų26.339%0.39113%0.128SC..Hα-helixtrans-70.6-28.5-177-71.7-69.2-167.7179.10113.9L129 A160 G161 I162 Y273L129-K133 WeakPolarHBondContact O-CB 3.36Å; L129-K133 PolarHBondContact O-N 3.36Å; K133-A160 WeakPolarHBondContact CE-O 3.18Å; K133-A160 PolarHBondContact NZ-O 3.13Å; K133-G161 PolarHBondContact NZ-O 3.3Å; K133-I162 HydrophobicContact CD-CD1 4.25Å; K133-I162 HydrophobicContact CD-CG1 4.11Å; K133-I162 HydrophobicContact CG-CD1 4.27Å; K133-Y273 HydrophobicContact CB-CE1 4.2Å; K133-Y273 WeakPolarHBondContact CB-OH 3.4Å; K133-Y273 HydrophobicContact CG-CE1 4.15Å
134R96.9Very high97Very high164 Ų16426.1 Ų26.162%0.61913%0.126SC*.Hα-helixtrans-109.8-26-172.1-56.9173.355.2881.5114.9A130 L132 Y273A130-R134 VanDerWaalsContact O-CB 3.23Å; A130-R134 WeakPolarHBondContact O-CB 3.46Å; A130-R134 WeakPolarHBondContact O-CG 3.29Å; A130-R134 PolarHBondContact O-N 3.3Å; L132-R134 PolarHBondContact O-N 2.8Å; R134-Y273 HydrophobicContact CG-CE2 4.31Å; R134-Y273 WeakPolarHBondContact CG-OH 3.41Å
135T96.7Very high96.7Very high52 Ų5229.8 Ų29.832%0.31914%0.144SC..THydrogen-bonded Turntrans-126.2-41.2-167.3-44.20000113L131 P137L131-T135 CarbonylContact O-C 3.5Å; L131-T135 WeakPolarHBondContact O-CA 3.4Å; L131-T135 WeakPolarHBondContact O-CB 3.31Å; L131-T135 PolarHBondContact O-N 3.08Å; T135-P137 WeakPolarHBondContact O-CD 3.47Å
136F96.5Very high96.4Very high6 Ų631.9 Ų31.93%0.02616%0.158CC..  trans-127.974.9-173.2-50.3-59.5000110L131 L132 D138 V140 T208 I210 K236 V238L131-F136 HydrophobicContact CB-CD2 4.07Å; L131-F136 HydrophobicContact CB-CE2 4.43Å; L131-F136 HydrophobicContact CD2-CD2 4.41Å; L131-F136 HydrophobicContact CD2-CE2 3.96Å; L131-F136 PolarHBondContact O-N 3.19Å; L132-F136 WeakPolarHBondContact CA-O 3.43Å; L132-F136 CarbonylContact O-C 3.38Å; L132-F136 VanDerWaalsContact O-C 3.3Å; F136-D138 VanDerWaalsContact C-N 3.32Å; F136-D138 PolarHBondContact O-N 3.43Å; F136-V140 HydrophobicContact CB-CG2 3.72Å; F136-V140 WeakPolarHBondContact O-CG2 3.36Å; F136-T208 HydrophobicContact CB-CG2 4.45Å; F136-T208 HydrophobicContact CD1-CG2 3.82Å; F136-T208 WeakPolarHBondContact CD1-OG1 3.44Å; F136-T208 HydrophobicContact CD2-CG2 4.1Å; F136-T208 HydrophobicContact CE1-CG2 4.02Å; F136-T208 HydrophobicContact CE2-CG2 4.28Å; F136-T208 HydrophobicContact CG-CG2 3.86Å; F136-T208 HydrophobicContact CZ-CG2 4.24Å; F136-I210 HydrophobicContact CD2-CD1 4.07Å; F136-K236 HydrophobicContact CE1-CD 3.68Å; F136-K236 HydrophobicContact CZ-CD 4.38Å; F136-V238 HydrophobicContact CE2-CG2 3.56Å; F136-V238 HydrophobicContact CZ-CG2 3.62Å
137P94.1Very high96.2Very high84 Ų8438 Ų3855%0.54518%0.181SC..  trans-76.5-16.3-170.631.3-36.7000113.9L132 T135 D189L132-P137 WeakPolarHBondContact O-CA 3.4Å; T135-P137 WeakPolarHBondContact O-CD 3.47Å; P137-D189 WeakPolarHBondContact O-CB 3.4Å
138D95.1Very high96Very high48 Ų4843.8 Ų43.826%0.25721%0.21SC..SBendtrans-150.4162.1-173.469.62.8000113.8F136 V140 D189 K207F136-D138 VanDerWaalsContact C-N 3.32Å; F136-D138 PolarHBondContact O-N 3.43Å; D138-V140 WeakPolarHBondContact O-CG2 3.46Å; D138-V140 PolarHBondContact O-N 2.87Å; D138-D189 CarbonylContact C-O 3.57Å; D138-K207 WeakPolarHBondContact OD1-CD 3.38Å; D138-K207 WeakPolarHBondContact OD1-CE 3.33Å; D138-K207 IonicContact OD1-NZ 3.91Å; D138-K207 PolarHBondContact OD1-NZ 2.89Å; D138-K207 IonicContact OD2-NZ 2.65Å; D138-K207 PolarHBondContact OD2-NZ 2.79Å
139H95Very high95.9Very high45 Ų4545.6 Ų45.621%0.20822%0.22CC..SBendtrans49.343.5177.2-59.270.9000113.3D189 K207 T208H139-D189 PolarHBondContact N-O 2.81Å; H139-K207 HydrophobicContact CB-CB 4.19Å; H139-K207 HydrophobicContact CB-CD 4.06Å; H139-K207 HydrophobicContact CB-CG 3.85Å; H139-K207 PolarHBondContact O-N 2.67Å; H139-T208 PolarHBondContact O-N 3.05Å
140V97.8Very high95.8Very high0 Ų045.6 Ų45.60%022%0.22CC..EExtended strand (participates in β ladder)trans-97.1122.7-180-175.50000110.8L132 F136 D138 F183 D189 V190 L191 T208 I210L132-V140 HydrophobicContact CD2-CB 4.06Å; L132-V140 HydrophobicContact CD2-CG1 3.85Å; L132-V140 HydrophobicContact CD2-CG2 3.92Å; F136-V140 HydrophobicContact CB-CG2 3.72Å; F136-V140 WeakPolarHBondContact O-CG2 3.36Å; D138-V140 WeakPolarHBondContact O-CG2 3.46Å; D138-V140 PolarHBondContact O-N 2.87Å; V140-F183 WeakPolarHBondContact O-CE2 3.32Å; V140-D189 PolarHBondContact N-O 3.21Å; V140-V190 HydrophobicContact CB-CG1 4.43Å; V140-V190 HydrophobicContact CB-CG2 4.25Å; V140-V190 WeakPolarHBondContact O-CA 3.4Å; V140-L191 PolarHBondContact O-N 3.41Å; V140-T208 WeakPolarHBondContact CA-O 3.45Å; V140-I210 HydrophobicContact CG1-CB 4.38Å; V140-I210 HydrophobicContact CG1-CD1 3.62Å; V140-I210 HydrophobicContact CG1-CG1 3.73Å
141L96.2Very high95.8Very high6 Ų646.4 Ų46.43%0.03122%0.223CC..EExtended strand (participates in β ladder)trans-95.4109.4169.1-178.661.1000109.5F143 L191 A193 V206 T208 V209 I210 R227L141-F143 HydrophobicContact CD2-CE2 3.55Å; L141-F143 HydrophobicContact CD2-CZ 3.73Å; L141-F143 HydrophobicContact CG-CD2 4.27Å; L141-F143 HydrophobicContact CG-CE2 3.72Å; L141-F143 HydrophobicContact CG-CZ 4.15Å; L141-L191 HydrophobicContact CD1-CB 4.14Å; L141-L191 HydrophobicContact CD1-CD2 3.94Å; L141-L191 HydrophobicContact CD1-CG 4.04Å; L141-A193 HydrophobicContact CD1-CB 4.29Å; L141-V206 HydrophobicContact CB-CG1 3.74Å; L141-V206 HydrophobicContact CB-CG2 4.36Å; L141-V206 HydrophobicContact CD2-CG2 4.49Å; L141-T208 PolarHBondContact N-O 2.99Å; L141-V209 HydrophobicContact CB-CG2 4.45Å; L141-V209 CarbonylContact O-C 3.59Å; L141-V209 WeakPolarHBondContact O-CA 3.5Å; L141-I210 PolarHBondContact O-N 2.86Å; L141-R227 HydrophobicContact CD2-CB 3.61Å; L141-R227 HydrophobicContact CD2-CG 3.71Å
142L97.8Very high95.7Very high0 Ų048.5 Ų48.50%023%0.231CC..EExtended strand (participates in β ladder)trans-99.8115.2-178.5177.765.5000110.7L128 V144 L153 V190 L191 I192 A193 I210 F212L128-L142 HydrophobicContact CD1-CD1 3.71Å; L128-L142 HydrophobicContact CD1-CD2 3.95Å; L128-L142 HydrophobicContact CD1-CG 4.49Å; L128-L142 HydrophobicContact CD2-CD1 4.48Å; L128-L142 HydrophobicContact CD2-CD2 3.55Å; L128-L142 HydrophobicContact CG-CD2 4.37Å; L142-V144 HydrophobicContact CD2-CG1 4.47Å; L142-V144 HydrophobicContact CG-CG1 4.25Å; L142-L153 HydrophobicContact CD2-CD1 4.21Å; L142-V190 HydrophobicContact CB-CG1 4.05Å; L142-L191 PolarHBondContact N-O 3.37Å; L142-I192 HydrophobicContact CB-CG1 4.4Å; L142-I192 HydrophobicContact CB-CG2 4.45Å; L142-I192 HydrophobicContact CD2-CD1 4.11Å; L142-I192 HydrophobicContact CD2-CG1 3.98Å; L142-I192 HydrophobicContact CD2-CG2 4.04Å; L142-I192 HydrophobicContact CG-CG2 4.21Å; L142-I192 CarbonylContact O-C 3.53Å; L142-I192 VanDerWaalsContact O-CA 3.32Å; L142-I192 WeakPolarHBondContact O-CA 3.27Å; L142-A193 PolarHBondContact O-N 2.93Å; L142-I210 CarbonylContact C-O 3.54Å; L142-I210 WeakPolarHBondContact CA-O 3.45Å; L142-I210 HydrophobicContact CD1-CB 3.69Å; L142-I210 HydrophobicContact CD1-CG2 3.53Å; L142-F212 HydrophobicContact CD1-CB 3.98Å
143F97.1Very high95.7Very high5 Ų548.3 Ų48.32%0.02223%0.23CC..EExtended strand (participates in β ladder)trans-90.7131.8174.8-75.2-85.2000112.3L141 A193 A198 V209 I210 F212 R224 R227L141-F143 HydrophobicContact CD2-CE2 3.55Å; L141-F143 HydrophobicContact CD2-CZ 3.73Å; L141-F143 HydrophobicContact CG-CD2 4.27Å; L141-F143 HydrophobicContact CG-CE2 3.72Å; L141-F143 HydrophobicContact CG-CZ 4.15Å; F143-A193 WeakPolarHBondContact CA-O 3.26Å; F143-A198 HydrophobicContact CD1-CB 4.3Å; F143-A198 HydrophobicContact CE1-CB 3.39Å; F143-A198 HydrophobicContact CZ-CB 4.05Å; F143-V209 HydrophobicContact CD2-CG1 3.81Å; F143-V209 HydrophobicContact CE2-CG1 3.89Å; F143-I210 PolarHBondContact N-O 2.84Å; F143-F212 WeakPolarHBondContact O-CB 3.22Å; F143-F212 PolarHBondContact O-N 2.79Å; F143-R224 HydrophobicContact CD1-CG 3.81Å; F143-R224 HydrophobicContact CD2-CB 3.83Å; F143-R224 HydrophobicContact CD2-CG 3.87Å; F143-R224 HydrophobicContact CE1-CB 4.44Å; F143-R224 HydrophobicContact CE1-CG 3.78Å; F143-R224 HydrophobicContact CE2-CB 3.65Å; F143-R224 HydrophobicContact CE2-CG 3.87Å; F143-R224 HydrophobicContact CG-CB 4.31Å; F143-R224 HydrophobicContact CG-CG 3.83Å; F143-R224 HydrophobicContact CZ-CB 3.99Å; F143-R224 HydrophobicContact CZ-CG 3.83Å; F143-R227 HydrophobicContact CE2-CG 4.39Å; F143-R227 HydrophobicContact CZ-CG 4.15Å
144V95.6Very high95.8Very high0 Ų047.3 Ų47.30%022%0.224CC..EExtended strand (participates in β ladder)trans-131.5155.3177.5-61.20000110.5L142 L149 C150 L153 I192 A193 T194 F212L142-V144 HydrophobicContact CD2-CG1 4.47Å; L142-V144 HydrophobicContact CG-CG1 4.25Å; V144-L149 HydrophobicContact CB-CD2 4.24Å; V144-L149 HydrophobicContact CB-CG 4.39Å; V144-L149 HydrophobicContact CG1-CD2 4.49Å; V144-L149 HydrophobicContact CG1-CG 4.48Å; V144-C150 HydrophobicContact CG2-CB 3.61Å; V144-L153 HydrophobicContact CG1-CD1 3.73Å; V144-I192 HydrophobicContact CB-CG2 4.42Å; V144-I192 HydrophobicContact CG1-CG2 3.7Å; V144-I192 HydrophobicContact CG2-CG2 3.79Å; V144-A193 PolarHBondContact N-O 2.61Å; V144-T194 HydrophobicContact CG2-CG2 4.16Å; V144-T194 WeakPolarHBondContact O-CA 3.36Å; V144-F212 HydrophobicContact CG1-CB 3.82Å; V144-F212 HydrophobicContact CG1-CG 4.26Å
145Q90.6Very high95.9Very high95 Ų9539.8 Ų39.844%0.44420%0.196SC..SBendtrans-77.6-42.4-174.9-169.5-172.3-200113F216Q145-F216 HydrophobicContact CG-CE2 4.41Å
146T91.9Very high96Very high61 Ų6137.4 Ų37.437%0.37418%0.181SC..  trans-117.5155.2-169.675.70000112.4L149 C150T146-L149 PolarHBondContact O-N 2.86Å; T146-L149 WeakPolarHBondContact OG1-CB 3.47Å; T146-L149 PolarHBondContact OG1-N 3.11Å; T146-L149 VanDerWaalsContact OG1-N 3.13Å; T146-C150 WeakPolarHBondContact O-CB 3.11Å; T146-C150 PolarHBondContact O-N 3.06Å
147R92.3Very high96.1Very high128 Ų12837.1 Ų37.148%0.48318%0.18SC..Hα-helixtrans-67.3-38.6177.8-50.2-176.3-175.6165.41.1111.5L149 C150 H151 H168 T194R147-L149 VanDerWaalsContact C-N 3.34Å; R147-C150 WeakPolarHBondContact O-CB 3.48Å; R147-C150 PolarHBondContact O-N 2.77Å; R147-H151 WeakPolarHBondContact O-CB 3.37Å; R147-H151 PolarHBondContact O-N 3.06Å; R147-H168 HydrophobicContact CB-CB 4.21Å; R147-H168 HydrophobicContact CG-CB 4.07Å; R147-T194 HydrophobicContact CG-CG2 4.31Å
148I94.1Very high96.3Very high128 Ų12834.9 Ų34.966%0.65617%0.172SC*.Hα-helixtrans-62.1-45.2177.4-62.1168.8000109.6H151 R152I148-H151 PolarHBondContact O-N 3.14Å; I148-R152 WeakPolarHBondContact O-CB 3.38Å; I148-R152 PolarHBondContact O-N 3.27Å
149L95.6Very high96.4Very high38 Ų3836.2 Ų36.220%0.19918%0.179CC..Hα-helixtrans-66.6-39.5177.2-176.360.4000112.3V144 T146 R147 H151 R152 L153 F212V144-L149 HydrophobicContact CB-CD2 4.24Å; V144-L149 HydrophobicContact CB-CG 4.39Å; V144-L149 HydrophobicContact CG1-CD2 4.49Å; V144-L149 HydrophobicContact CG1-CG 4.48Å; T146-L149 PolarHBondContact O-N 2.86Å; T146-L149 WeakPolarHBondContact OG1-CB 3.47Å; T146-L149 PolarHBondContact OG1-N 3.11Å; T146-L149 VanDerWaalsContact OG1-N 3.13Å; R147-L149 VanDerWaalsContact C-N 3.34Å; L149-H151 VanDerWaalsContact C-N 3.26Å; L149-H151 PolarHBondContact O-N 3.41Å; L149-R152 PolarHBondContact O-N 3.29Å; L149-L153 HydrophobicContact CD1-CD1 4.09Å; L149-L153 HydrophobicContact CD1-CG 4.04Å; L149-L153 HydrophobicContact CG-CD1 4.06Å; L149-L153 HydrophobicContact CG-CG 4.41Å; L149-L153 WeakPolarHBondContact O-CB 3.23Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 3.45Å; L149-F212 HydrophobicContact CD1-CE1 4.21Å; L149-F212 HydrophobicContact CD2-CD1 3.75Å; L149-F212 HydrophobicContact CD2-CE1 3.79Å; L149-F212 HydrophobicContact CG-CE1 4.44Å
150C96.5Very high96.6Very high0 Ų034.8 Ų34.80%018%0.175CC..Hα-helixtrans-53.8-48.1173.8-164.40000111.1V144 T146 R147 L153 R154 I192 T194V144-C150 HydrophobicContact CG2-CB 3.61Å; T146-C150 WeakPolarHBondContact O-CB 3.11Å; T146-C150 PolarHBondContact O-N 3.06Å; R147-C150 WeakPolarHBondContact O-CB 3.48Å; R147-C150 PolarHBondContact O-N 2.77Å; C150-L153 PolarHBondContact O-N 3.09Å; C150-R154 PolarHBondContact O-N 3.06Å; C150-I192 HydrophobicContact CB-CG2 4.33Å; C150-I192 VanDerWaalsContact SG-CG2 3.52Å; C150-I192 PolarHBondContact SG-O 2.8Å; C150-T194 HydrophobicContact CB-CG2 4.25Å
151H96.8Very high96.5Very high19 Ų1937.5 Ų37.59%0.08820%0.203CC..Hα-helixtrans-69.7-46.9-178.4-166.260.5000113.2R147 I148 L149 L153 R154 I155 E166 E291R147-H151 WeakPolarHBondContact O-CB 3.37Å; R147-H151 PolarHBondContact O-N 3.06Å; I148-H151 PolarHBondContact O-N 3.14Å; L149-H151 VanDerWaalsContact C-N 3.26Å; L149-H151 PolarHBondContact O-N 3.41Å; H151-L153 VanDerWaalsContact C-N 3.29Å; H151-L153 PolarHBondContact O-N 3.46Å; H151-R154 PolarHBondContact CE1-NH2 3.17Å; H151-R154 WeakPolarHBondContact O-CB 3.4Å; H151-R154 PolarHBondContact O-N 3.19Å; H151-R154 VanDerWaalsContact O-N 3.07Å; H151-I155 PolarHBondContact O-N 3.49Å; H151-I155 VanDerWaalsContact O-N 3.08Å; H151-E166 WeakPolarHBondContact CA-OE2 3.29Å; H151-E166 IonicContact CE1-OE1 2.81Å; H151-E166 IonicContact CG-OE2 2.74Å; H151-E166 IonicContact ND1-OE1 2.71Å; H151-E166 PolarHBondContact ND1-OE1 3.3Å; H151-E166 IonicContact ND1-OE2 3.04Å; H151-E166 PolarHBondContact ND1-OE2 2.88Å; H151-E291 IonicContact CE1-OE2 3.15Å; H151-E291 PolarHBondContact CE1-OE2 2.83Å; H151-E291 IonicContact NE2-OE2 2.7Å; H151-E291 PolarHBondContact NE2-OE2 2.69Å; H151-E291 VanDerWaalsContact NE2-OE2 3.12Å
152R97.7Very high96.6Very high46 Ų4638 Ų3817%0.17421%0.206CC..Hα-helixtrans-53.7-47.7173.8176.5178.916688.43.2111.2E125 I148 L149 R154 I155 L156 E281 V284 M288E125-R152 IonicContact OE1-CZ 3.3Å; E125-R152 IonicContact OE1-NE 3.76Å; E125-R152 PolarHBondContact OE1-NE 3.49Å; E125-R152 IonicContact OE1-NH2 2.64Å; E125-R152 PolarHBondContact OE1-NH2 3.1Å; E125-R152 IonicContact OE2-CZ 3.43Å; E125-R152 IonicContact OE2-NE 3.35Å; E125-R152 IonicContact OE2-NH2 3.48Å; E125-R152 PolarHBondContact OE2-NH2 2.9Å; I148-R152 WeakPolarHBondContact O-CB 3.38Å; I148-R152 PolarHBondContact O-N 3.27Å; L149-R152 PolarHBondContact O-N 3.29Å; R152-R154 VanDerWaalsContact C-N 3.35Å; R152-R154 PolarHBondContact O-N 2.74Å; R152-I155 PolarHBondContact O-N 3.38Å; R152-L156 WeakPolarHBondContact O-CB 3.47Å; R152-L156 PolarHBondContact O-N 3.24Å; R152-E281 IonicContact CZ-OE1 2.76Å; R152-E281 IonicContact CZ-OE2 2.72Å; R152-E281 IonicContact NH1-OE1 3.59Å; R152-E281 PolarHBondContact NH1-OE1 3.29Å; R152-E281 IonicContact NH1-OE2 2.67Å; R152-E281 IonicContact NH2-OE1 3.41Å; R152-E281 PolarHBondContact NH2-OE1 2.92Å; R152-E281 IonicContact NH2-OE2 3.55Å; R152-E281 PolarHBondContact NH2-OE2 3.4Å; R152-V284 HydrophobicContact CG-CG1 4.1Å; R152-M288 HydrophobicContact CB-SD 4.06Å; R152-M288 HydrophobicContact CG-SD 4.36Å
153L98.5Very high96.7Very high0 Ų042.8 Ų42.80%023%0.226CC..Hα-helixtrans-68.4-32.6179.3-69.1177000112.3E125 L128 L142 V144 L149 C150 H151 I155 L156 L157 I192 F212E125-L153 HydrophobicContact CG-CD2 4.01Å; L128-L153 HydrophobicContact CD2-CD1 4.11Å; L128-L153 HydrophobicContact CD2-CD2 4.06Å; L142-L153 HydrophobicContact CD2-CD1 4.21Å; V144-L153 HydrophobicContact CG1-CD1 3.73Å; L149-L153 HydrophobicContact CD1-CD1 4.09Å; L149-L153 HydrophobicContact CD1-CG 4.04Å; L149-L153 HydrophobicContact CG-CD1 4.06Å; L149-L153 HydrophobicContact CG-CG 4.41Å; L149-L153 WeakPolarHBondContact O-CB 3.23Å; L149-L153 WeakPolarHBondContact O-CG 3.42Å; L149-L153 PolarHBondContact O-N 3.45Å; C150-L153 PolarHBondContact O-N 3.09Å; H151-L153 VanDerWaalsContact C-N 3.29Å; H151-L153 PolarHBondContact O-N 3.46Å; L153-I155 VanDerWaalsContact C-N 3.3Å; L153-I155 PolarHBondContact O-N 3.39Å; L153-L156 HydrophobicContact CD2-CD2 4.23Å; L153-L157 WeakPolarHBondContact O-CB 3.22Å; L153-L157 WeakPolarHBondContact O-CG 3.42Å; L153-L157 PolarHBondContact O-N 3.4Å; L153-I192 HydrophobicContact CB-CD1 3.56Å; L153-F212 HydrophobicContact CD1-CD1 4.47Å; L153-F212 HydrophobicContact CD1-CD2 4.03Å; L153-F212 HydrophobicContact CD1-CE1 4.43Å; L153-F212 HydrophobicContact CD1-CE2 3.98Å; L153-F212 HydrophobicContact CD1-CG 4.25Å; L153-F212 HydrophobicContact CD1-CZ 4.17Å; L153-F212 HydrophobicContact CD2-CE2 4.35Å; L153-F212 HydrophobicContact CD2-CZ 4.42Å
154R98.2Very high96.7Very high68 Ų6843.7 Ų43.726%0.25723%0.232SC..Hα-helixtrans-58.7-45.4172.4-174.8-89.7-89.5172.6-0.4110.9C150 H151 R152 G158 V164 E166 I192 E291C150-R154 PolarHBondContact O-N 3.06Å; H151-R154 PolarHBondContact CE1-NH2 3.17Å; H151-R154 WeakPolarHBondContact O-CB 3.4Å; H151-R154 PolarHBondContact O-N 3.19Å; H151-R154 VanDerWaalsContact O-N 3.07Å; R152-R154 VanDerWaalsContact C-N 3.35Å; R152-R154 PolarHBondContact O-N 2.74Å; R154-G158 PolarHBondContact O-N 2.97Å; R154-V164 HydrophobicContact CB-CG1 4.35Å; R154-V164 HydrophobicContact CG-CB 4.48Å; R154-V164 HydrophobicContact CG-CG1 4.15Å; R154-E166 HydrophobicContact CB-CB 4.15Å; R154-E166 HydrophobicContact CG-CB 4.19Å; R154-E166 HydrophobicContact CG-CG 4.38Å; R154-E166 IonicContact CZ-OE1 3.58Å; R154-E166 IonicContact NE-OE1 2.72Å; R154-E166 PolarHBondContact NE-OE1 2.89Å; R154-E166 VanDerWaalsContact NE-OE1 3.15Å; R154-E166 IonicContact NH2-OE1 2.91Å; R154-E166 PolarHBondContact NH2-OE1 2.97Å; R154-I192 HydrophobicContact CB-CD1 4.46Å; R154-E291 IonicContact CZ-OE1 3.78Å; R154-E291 VanDerWaalsContact CZ-OE1 3.29Å; R154-E291 IonicContact CZ-OE2 3.14Å; R154-E291 IonicContact NH1-OE1 3.32Å; R154-E291 PolarHBondContact NH1-OE1 3.11Å; R154-E291 IonicContact NH2-OE1 2.8Å; R154-E291 PolarHBondContact NH2-OE1 3.16Å; R154-E291 IonicContact NH2-OE2 2.84Å; R154-E291 PolarHBondContact NH2-OE2 3.46Å; R154-E291 VanDerWaalsContact NH2-OE2 3.08Å
155I98.7Very high96.8Very high7 Ų744.1 Ų44.14%0.03624%0.236CC..Hα-helixtrans-68-55179.3-63.5164.7000110.3H151 R152 L153 L157 G158 L159 V284 V287 M288H151-I155 PolarHBondContact O-N 3.49Å; H151-I155 VanDerWaalsContact O-N 3.08Å; R152-I155 PolarHBondContact O-N 3.38Å; L153-I155 VanDerWaalsContact C-N 3.3Å; L153-I155 PolarHBondContact O-N 3.39Å; I155-L157 PolarHBondContact O-N 2.88Å; I155-G158 PolarHBondContact O-N 3.14Å; I155-G158 VanDerWaalsContact O-N 3.12Å; I155-L159 HydrophobicContact CG2-CD1 3.85Å; I155-L159 HydrophobicContact CG2-CG 4.33Å; I155-L159 WeakPolarHBondContact O-CG 3.34Å; I155-L159 PolarHBondContact O-N 3.29Å; I155-V284 HydrophobicContact CG2-CB 4.35Å; I155-V284 HydrophobicContact CG2-CG1 4.27Å; I155-V284 HydrophobicContact CG2-CG2 4.19Å; I155-V287 HydrophobicContact CD1-CB 4.44Å; I155-V287 HydrophobicContact CD1-CG1 3.85Å; I155-V287 HydrophobicContact CG1-CG1 3.95Å; I155-V287 HydrophobicContact CG2-CB 3.83Å; I155-V287 HydrophobicContact CG2-CG1 3.79Å; I155-V287 HydrophobicContact CG2-CG2 4.37Å; I155-M288 HydrophobicContact CD1-CB 4.45Å; I155-M288 HydrophobicContact CD1-CG 3.48Å; I155-M288 VanDerWaalsContact CD1-CG 3.48Å
156L98.7Very high97Very high1 Ų140.5 Ų40.51%0.00522%0.219CC..Hα-helixtrans-56.6-48.4-177.9174.965.4000112.3E125 R152 L153 G158 L159 A160 V277 L280 V284E125-L156 HydrophobicContact CB-CD2 3.9Å; E125-L156 HydrophobicContact CG-CD2 4.15Å; R152-L156 WeakPolarHBondContact O-CB 3.47Å; R152-L156 PolarHBondContact O-N 3.24Å; L153-L156 HydrophobicContact CD2-CD2 4.23Å; L156-G158 VanDerWaalsContact C-N 3.34Å; L156-L159 PolarHBondContact O-N 3.42Å; L156-A160 WeakPolarHBondContact O-CB 3.49Å; L156-A160 PolarHBondContact O-N 2.79Å; L156-V277 HydrophobicContact CD1-CG2 4.42Å; L156-V277 HydrophobicContact CD2-CG1 4.45Å; L156-V277 HydrophobicContact CD2-CG2 4.28Å; L156-L280 HydrophobicContact CD1-CB 4.1Å; L156-L280 HydrophobicContact CD1-CD1 4.16Å; L156-V284 HydrophobicContact CB-CG2 3.91Å; L156-V284 HydrophobicContact CD1-CG2 3.88Å
157L98.7Very high97.1Very high1 Ų137.6 Ų37.61%0.00520%0.201CC..Hα-helixtrans-69.4-34.8179.5-62.2-178.2000111.6L128 L129 L132 L153 I155 A160 G161 I162 V164 I192L128-L157 HydrophobicContact CD2-CD1 4.16Å; L128-L157 HydrophobicContact CD2-CD2 4.24Å; L128-L157 HydrophobicContact CG-CD2 4.47Å; L129-L157 HydrophobicContact CD2-CD2 3.49Å; L129-L157 VanDerWaalsContact CD2-CD2 3.49Å; L129-L157 HydrophobicContact CG-CD2 3.88Å; L132-L157 HydrophobicContact CD1-CD1 3.64Å; L132-L157 HydrophobicContact CD1-CD2 3.93Å; L132-L157 HydrophobicContact CD1-CG 4.42Å; L153-L157 WeakPolarHBondContact O-CB 3.22Å; L153-L157 WeakPolarHBondContact O-CG 3.42Å; L153-L157 PolarHBondContact O-N 3.4Å; I155-L157 PolarHBondContact O-N 2.88Å; L157-A160 CarbonylContact O-C 3.5Å; L157-A160 PolarHBondContact O-N 3.49Å; L157-G161 PolarHBondContact O-N 3.43Å; L157-I162 HydrophobicContact CB-CB 4.31Å; L157-I162 HydrophobicContact CB-CD1 4.32Å; L157-I162 HydrophobicContact CD2-CD1 4.08Å; L157-I162 WeakPolarHBondContact O-CB 2.92Å; L157-I162 PolarHBondContact O-N 3.27Å; L157-V164 HydrophobicContact CB-CG2 3.62Å; L157-V164 HydrophobicContact CD1-CG2 4.17Å; L157-I192 HydrophobicContact CD1-CD1 4.03Å
158G98.4Very high97.1Very high37 Ų3732 Ų3238%0.38118%0.18SC..Hα-helixtrans-61.3-48.9173.700000112.3R154 I155 L156 A160 G161R154-G158 PolarHBondContact O-N 2.97Å; I155-G158 PolarHBondContact O-N 3.14Å; I155-G158 VanDerWaalsContact O-N 3.12Å; L156-G158 VanDerWaalsContact C-N 3.34Å; G158-A160 VanDerWaalsContact C-N 3.28Å; G158-A160 PolarHBondContact O-N 3.08Å; G158-G161 WeakPolarHBondContact O-CA 3.28Å; G158-G161 PolarHBondContact O-N 2.98Å
159L98.5Very high96.6Very high76 Ų7627.6 Ų27.640%0.39817%0.167SC..Hα-helixtrans-62.9-34.6174.8-70173.7000112.1I155 L156 G161 L280 D283 V284I155-L159 HydrophobicContact CG2-CD1 3.85Å; I155-L159 HydrophobicContact CG2-CG 4.33Å; I155-L159 WeakPolarHBondContact O-CG 3.34Å; I155-L159 PolarHBondContact O-N 3.29Å; L156-L159 PolarHBondContact O-N 3.42Å; L159-G161 PolarHBondContact O-N 3.3Å; L159-G161 VanDerWaalsContact O-N 3.16Å; L159-L280 HydrophobicContact CB-CD1 4.22Å; L159-L280 HydrophobicContact CB-CD2 4.19Å; L159-D283 HydrophobicContact CD1-CB 3.81Å; L159-V284 HydrophobicContact CD1-CG2 3.79Å
160A97.9Very high96.2Very high15 Ų1531.6 Ų31.612%0.12418%0.183CC..THydrogen-bonded Turntrans-72.63.2170.900000113.6L129 K133 L156 L157 G158 L276 L280L129-A160 HydrophobicContact CD2-CB 3.6Å; K133-A160 WeakPolarHBondContact CE-O 3.18Å; K133-A160 PolarHBondContact NZ-O 3.13Å; L156-A160 WeakPolarHBondContact O-CB 3.49Å; L156-A160 PolarHBondContact O-N 2.79Å; L157-A160 CarbonylContact O-C 3.5Å; L157-A160 PolarHBondContact O-N 3.49Å; G158-A160 VanDerWaalsContact C-N 3.28Å; G158-A160 PolarHBondContact O-N 3.08Å; A160-L276 HydrophobicContact CB-CD2 4.42Å; A160-L280 HydrophobicContact CB-CD1 4.12Å
161G97.4Very high95.7Very high57 Ų5733.1 Ų33.159%0.58819%0.191SC*.THydrogen-bonded Turntrans76.539.5176.200000113.9K133 L157 G158 L159K133-G161 PolarHBondContact NZ-O 3.3Å; L157-G161 PolarHBondContact O-N 3.43Å; G158-G161 WeakPolarHBondContact O-CA 3.28Å; G158-G161 PolarHBondContact O-N 2.98Å; L159-G161 PolarHBondContact O-N 3.3Å; L159-G161 VanDerWaalsContact O-N 3.16Å
162I98.5Very high95.1Very high16 Ų1634.9 Ų34.98%0.08221%0.208CC..  trans-110.6136.3171.1-56.7174.4000107.9L129 L132 K133 L157 V164 D189 V190L129-I162 HydrophobicContact CD2-CD1 4.03Å; L132-I162 HydrophobicContact CB-CD1 3.88Å; L132-I162 HydrophobicContact CD1-CD1 4Å; K133-I162 HydrophobicContact CD-CD1 4.25Å; K133-I162 HydrophobicContact CD-CG1 4.11Å; K133-I162 HydrophobicContact CG-CD1 4.27Å; L157-I162 HydrophobicContact CB-CB 4.31Å; L157-I162 HydrophobicContact CB-CD1 4.32Å; L157-I162 HydrophobicContact CD2-CD1 4.08Å; L157-I162 WeakPolarHBondContact O-CB 2.92Å; L157-I162 PolarHBondContact O-N 3.27Å; I162-V164 HydrophobicContact CB-CG2 3.97Å; I162-V164 HydrophobicContact CG2-CG2 3.69Å; I162-V164 WeakPolarHBondContact O-CG2 3.48Å; I162-V164 PolarHBondContact O-N 3.48Å; I162-D189 HydrophobicContact CG2-CB 4.45Å; I162-V190 HydrophobicContact CG2-CG2 3.72Å
163K98.3Very high94.4Very high100 Ų10038.2 Ų38.244%0.43523%0.226SC..  trans-78107.8176.8-59.9176.5-67.4131.30108.8G186 E187 T188 D189 V190K163-G186 PolarHBondContact NZ-O 3.04Å; K163-E187 VanDerWaalsContact CD-O 3.31Å; K163-E187 WeakPolarHBondContact CD-O 3.44Å; K163-E187 PolarHBondContact NZ-O 3.42Å; K163-T188 CarbonylContact O-C 3.51Å; K163-D189 VanDerWaalsContact CE-CG 3.45Å; K163-D189 WeakPolarHBondContact CE-OD1 3.25Å; K163-D189 WeakPolarHBondContact CE-OD2 3.39Å; K163-D189 IonicContact NZ-OD1 3.41Å; K163-D189 PolarHBondContact NZ-OD1 2.71Å; K163-D189 IonicContact NZ-OD2 3.56Å; K163-D189 PolarHBondContact O-N 3.22Å; K163-V190 PolarHBondContact O-N 3.43Å
164V98.3Very high93.8Very high24 Ų2441.8 Ų41.815%0.14526%0.255CS..EExtended strand (participates in β ladder)trans-123.2134.6-171.2-175.20000112.1R154 L157 I162 V190 I192R154-V164 HydrophobicContact CB-CG1 4.35Å; R154-V164 HydrophobicContact CG-CB 4.48Å; R154-V164 HydrophobicContact CG-CG1 4.15Å; L157-V164 HydrophobicContact CB-CG2 3.62Å; L157-V164 HydrophobicContact CD1-CG2 4.17Å; I162-V164 HydrophobicContact CB-CG2 3.97Å; I162-V164 HydrophobicContact CG2-CG2 3.69Å; I162-V164 WeakPolarHBondContact O-CG2 3.48Å; I162-V164 PolarHBondContact O-N 3.48Å; V164-V190 WeakPolarHBondContact CA-O 3.22Å; V164-V190 HydrophobicContact CG1-CB 4.41Å; V164-V190 HydrophobicContact CG2-CB 4.14Å; V164-I192 HydrophobicContact CG1-CD1 3.61Å; V164-I192 HydrophobicContact CG1-CG1 3.6Å
165A96.4Very high93.4Very high10 Ų1043.1 Ų43.18%0.08327%0.265CS..EExtended strand (participates in β ladder)trans-109.2150.8164.200000110.2A179 T188 V190 L191 I192A165-A179 HydrophobicContact CB-CB 4.13Å; A165-T188 HydrophobicContact CB-CG2 3.99Å; A165-V190 PolarHBondContact N-O 2.9Å; A165-L191 HydrophobicContact CB-CD1 3.82Å; A165-L191 WeakPolarHBondContact O-CA 3.35Å; A165-I192 PolarHBondContact O-N 2.84Å
166E95.7Very high92.9Very high18 Ų1845.5 Ų45.58%0.08427%0.273CS..EExtended strand (participates in β ladder)trans-117.3152.6175.968.9-175.6144.900111.9H151 R154 H168 L171 I192H151-E166 WeakPolarHBondContact CA-OE2 3.29Å; H151-E166 IonicContact CE1-OE1 2.81Å; H151-E166 IonicContact CG-OE2 2.74Å; H151-E166 IonicContact ND1-OE1 2.71Å; H151-E166 PolarHBondContact ND1-OE1 3.3Å; H151-E166 IonicContact ND1-OE2 3.04Å; H151-E166 PolarHBondContact ND1-OE2 2.88Å; R154-E166 HydrophobicContact CB-CB 4.15Å; R154-E166 HydrophobicContact CG-CB 4.19Å; R154-E166 HydrophobicContact CG-CG 4.38Å; R154-E166 IonicContact CZ-OE1 3.58Å; R154-E166 IonicContact NE-OE1 2.72Å; R154-E166 PolarHBondContact NE-OE1 2.89Å; R154-E166 VanDerWaalsContact NE-OE1 3.15Å; R154-E166 IonicContact NH2-OE1 2.91Å; R154-E166 PolarHBondContact NH2-OE1 2.97Å; E166-H168 IonicContact OE2-CD2 3.15Å; E166-H168 IonicContact OE2-NE2 2.72Å; E166-H168 PolarHBondContact OE2-NE2 3.22Å; E166-L171 HydrophobicContact CG-CD1 4.33Å; E166-L171 WeakPolarHBondContact O-CD1 3.3Å; E166-I192 CarbonylContact C-O 3.58Å; E166-I192 WeakPolarHBondContact CA-O 3.4Å
167L93.3Very high92.4Very high1 Ų150.3 Ų50.31%0.00530%0.298CS..EExtended strand (participates in β ladder)trans-145.7100.4-176.2-168.460.4000111.5R176 L180 L191 I192 A193 T194 A197 I201L167-R176 HydrophobicContact CD1-CB 3.7Å; L167-R176 HydrophobicContact CD1-CG 3.72Å; L167-L180 HydrophobicContact CD2-CD2 3.77Å; L167-L180 HydrophobicContact CD2-CG 4.21Å; L167-L191 HydrophobicContact CB-CD1 4.04Å; L167-L191 HydrophobicContact CD2-CD1 4.45Å; L167-L191 HydrophobicContact CD2-CD2 4.24Å; L167-I192 PolarHBondContact N-O 3.32Å; L167-A193 HydrophobicContact CB-CB 4.02Å; L167-A193 HydrophobicContact CD2-CB 4.39Å; L167-A193 VanDerWaalsContact O-CA 3.3Å; L167-A193 WeakPolarHBondContact O-CA 3.36Å; L167-T194 PolarHBondContact O-N 2.72Å; L167-A197 HydrophobicContact CG-CB 4.19Å; L167-A197 VanDerWaalsContact O-CB 3.26Å; L167-A197 WeakPolarHBondContact O-CB 3.38Å; L167-I201 HydrophobicContact CD1-CD1 4.49Å; L167-I201 HydrophobicContact CD2-CD1 3.16Å; L167-I201 HydrophobicContact CG-CD1 4.14Å
168H92.1Very high92.1Very high9 Ų955.2 Ų55.24%0.04232%0.321CS..  trans-145.4164-178.164.843.2000112R147 E166 K170 L171 T194 A197R147-H168 HydrophobicContact CB-CB 4.21Å; R147-H168 HydrophobicContact CG-CB 4.07Å; E166-H168 IonicContact OE2-CD2 3.15Å; E166-H168 IonicContact OE2-NE2 2.72Å; E166-H168 PolarHBondContact OE2-NE2 3.22Å; H168-K170 PolarHBondContact ND1-N 3.33Å; H168-K170 PolarHBondContact O-N 3.02Å; H168-L171 PolarHBondContact O-N 2.66Å; H168-L171 VanDerWaalsContact O-N 3.08Å; H168-T194 HydrophobicContact CB-CG2 3.97Å; H168-A197 VanDerWaalsContact CA-CB 3.41Å
169G84.7Confident91.8Very high36 Ų3654 Ų5437%0.37131%0.307SS..THydrogen-bonded Turntrans-64.3-9.8-172.700000117.5
170K86.2Confident91.4Very high123 Ų12351.8 Ų51.854%0.53530%0.296SS..THydrogen-bonded Turntrans-84.6-14.1174.5-166.6177.9-177.1-178.90113.1H168 R295H168-K170 PolarHBondContact ND1-N 3.33Å; H168-K170 PolarHBondContact O-N 3.02Å; K170-R295 VanDerWaalsContact NZ-CD 3.29Å
171L86.4Confident91.1Very high32 Ų3251.7 Ų51.717%0.16830%0.296CS..SBendtrans-74.5140.1177.2-65.9-178.6000110.7E166 H168 Q175 R176E166-L171 HydrophobicContact CG-CD1 4.33Å; E166-L171 WeakPolarHBondContact O-CD1 3.3Å; H168-L171 PolarHBondContact O-N 2.66Å; H168-L171 VanDerWaalsContact O-N 3.08Å; L171-Q175 HydrophobicContact CB-CB 4.2Å; L171-Q175 HydrophobicContact CD2-CB 4.42Å; L171-R176 HydrophobicContact CB-CG 3.71Å; L171-R176 HydrophobicContact CD1-CG 4.45Å
172A85.4Confident90.9Very high55 Ų5552.5 Ų52.546%0.45528%0.284SS..  trans-63.9154.1169.400000110.5A174 Q175 R176A172-A174 PolarHBondContact O-N 2.83Å; A172-Q175 HydrophobicContact CB-CG 4.35Å; A172-Q175 WeakPolarHBondContact O-CB 3.28Å; A172-Q175 PolarHBondContact O-N 2.93Å; A172-R176 WeakPolarHBondContact O-CG 3Å; A172-R176 PolarHBondContact O-N 3.03Å
173Q81.5Confident90.7Very high116 Ų11651.8 Ų51.854%0.54228%0.28SS..Hα-helixtrans-56.5-38.8-178.4-172.763.81300112.7R176 L177Q173-R176 WeakPolarHBondContact O-CB 3.38Å; Q173-R176 PolarHBondContact O-N 3.13Å; Q173-L177 HydrophobicContact CG-CD1 4.39Å; Q173-L177 WeakPolarHBondContact O-CG 3.49Å; Q173-L177 PolarHBondContact O-N 2.85Å
174A86.1Confident90.2Very high75 Ų7554 Ų5462%0.6229%0.286SS*.Hα-helixtrans-60.5-45.8175.800000112A172 R176 L177 E178A172-A174 PolarHBondContact O-N 2.83Å; A174-R176 VanDerWaalsContact C-N 3.33Å; A174-R176 PolarHBondContact O-N 2.88Å; A174-L177 PolarHBondContact O-N 2.81Å; A174-E178 WeakPolarHBondContact O-CB 3.33Å; A174-E178 PolarHBondContact O-N 2.72Å
175Q90.5Very high89.9Confident97 Ų9757.4 Ų57.445%0.45330%0.303SS..Hα-helixtrans-64-38176.2-64.9172.8-45.900111.9L171 A172 E178 A179L171-Q175 HydrophobicContact CB-CB 4.2Å; L171-Q175 HydrophobicContact CD2-CB 4.42Å; A172-Q175 HydrophobicContact CB-CG 4.35Å; A172-Q175 WeakPolarHBondContact O-CB 3.28Å; A172-Q175 PolarHBondContact O-N 2.93Å; Q175-E178 PolarHBondContact O-N 3.24Å; Q175-A179 WeakPolarHBondContact O-CB 3.48Å; Q175-A179 PolarHBondContact O-N 3.23Å
176R88.5Confident89.7Confident56 Ų5658.1 Ų58.121%0.21131%0.311CS..Hα-helixtrans-61.9-45.1174.9-65.4179.769.7-176.31111.3L167 L171 A172 Q173 A174 L180 A197L167-R176 HydrophobicContact CD1-CB 3.7Å; L167-R176 HydrophobicContact CD1-CG 3.72Å; L171-R176 HydrophobicContact CB-CG 3.71Å; L171-R176 HydrophobicContact CD1-CG 4.45Å; A172-R176 WeakPolarHBondContact O-CG 3Å; A172-R176 PolarHBondContact O-N 3.03Å; Q173-R176 WeakPolarHBondContact O-CB 3.38Å; Q173-R176 PolarHBondContact O-N 3.13Å; A174-R176 VanDerWaalsContact C-N 3.33Å; A174-R176 PolarHBondContact O-N 2.88Å; R176-L180 WeakPolarHBondContact O-CD1 3.46Å; R176-L180 WeakPolarHBondContact O-CG 3.21Å; R176-L180 PolarHBondContact O-N 3.24Å; R176-L180 VanDerWaalsContact O-N 3.1Å; R176-A197 PolarHBondContact NH2-O 2.9Å
177L87.5Confident89.6Confident103 Ų10362.6 Ų62.654%0.53933%0.332SS..Hα-helixtrans-66.7-40177.9-69.2174000111.8Q173 A174 L180 G181Q173-L177 HydrophobicContact CG-CD1 4.39Å; Q173-L177 WeakPolarHBondContact O-CG 3.49Å; Q173-L177 PolarHBondContact O-N 2.85Å; A174-L177 PolarHBondContact O-N 2.81Å; L177-L180 PolarHBondContact O-N 3.27Å; L177-G181 PolarHBondContact O-N 2.7Å
178E92.5Very high89.8Confident104 Ų10463.2 Ų63.249%0.48634%0.336SS..Hα-helixtrans-62.5-48.4175.2-173.5-172.5166.800111.5A174 Q175 L180 G181 K182A174-E178 WeakPolarHBondContact O-CB 3.33Å; A174-E178 PolarHBondContact O-N 2.72Å; Q175-E178 PolarHBondContact O-N 3.24Å; E178-L180 VanDerWaalsContact C-N 3.26Å; E178-L180 PolarHBondContact O-N 2.93Å; E178-G181 PolarHBondContact O-N 3.15Å; E178-G181 VanDerWaalsContact O-N 3.16Å; E178-K182 HydrophobicContact CG-CD 4.39Å; E178-K182 WeakPolarHBondContact O-CG 3.35Å; E178-K182 PolarHBondContact O-N 2.99Å; E178-K182 WeakPolarHBondContact OE1-CE 3.28Å; E178-K182 IonicContact OE1-NZ 3.08Å; E178-K182 PolarHBondContact OE1-NZ 2.83Å
179A92.8Very high90.1Very high11 Ų1164.3 Ų64.39%0.09134%0.342CS..Hα-helixtrans-57.6-40.4176.900000112.2A165 Q175 F183A165-A179 HydrophobicContact CB-CB 4.13Å; Q175-A179 WeakPolarHBondContact O-CB 3.48Å; Q175-A179 PolarHBondContact O-N 3.23Å; A179-F183 WeakPolarHBondContact O-CB 3.36Å; A179-F183 PolarHBondContact O-N 2.82Å; A179-F183 VanDerWaalsContact O-N 3.17Å
180L90.4Very high90.7Very high30 Ų3062.7 Ų62.716%0.15733%0.325CS..Hα-helixtrans-68.9-42175.6-70.8168.9000112.8L167 R176 L177 E178 F183 R184 L191 I201 V203L167-L180 HydrophobicContact CD2-CD2 3.77Å; L167-L180 HydrophobicContact CD2-CG 4.21Å; R176-L180 WeakPolarHBondContact O-CD1 3.46Å; R176-L180 WeakPolarHBondContact O-CG 3.21Å; R176-L180 PolarHBondContact O-N 3.24Å; R176-L180 VanDerWaalsContact O-N 3.1Å; L177-L180 PolarHBondContact O-N 3.27Å; E178-L180 VanDerWaalsContact C-N 3.26Å; E178-L180 PolarHBondContact O-N 2.93Å; L180-F183 PolarHBondContact O-N 3.15Å; L180-R184 VanDerWaalsContact O-CB 3.28Å; L180-R184 WeakPolarHBondContact O-CB 3.47Å; L180-R184 PolarHBondContact O-N 3Å; L180-L191 HydrophobicContact CD2-CD2 3.76Å; L180-I201 HydrophobicContact CD1-CD1 3.9Å; L180-I201 HydrophobicContact CD1-CG2 3.94Å; L180-I201 HydrophobicContact CD2-CD1 4Å; L180-I201 HydrophobicContact CD2-CG2 3.35Å; L180-I201 HydrophobicContact CG-CD1 4.42Å; L180-I201 HydrophobicContact CG-CG2 4.27Å; L180-V203 HydrophobicContact CD2-CG2 3.81Å
181G89.8Confident91.2Very high13 Ų1356.9 Ų56.913%0.13430%0.3CS..Hα-helixtrans-58.3-53.6174.900000111L177 E178 F183 R184 D185L177-G181 PolarHBondContact O-N 2.7Å; E178-G181 PolarHBondContact O-N 3.15Å; E178-G181 VanDerWaalsContact O-N 3.16Å; G181-F183 VanDerWaalsContact C-N 3.27Å; G181-F183 PolarHBondContact O-N 3.26Å; G181-R184 PolarHBondContact O-N 3.31Å; G181-R184 VanDerWaalsContact O-N 3.16Å; G181-D185 VanDerWaalsContact O-CB 3.31Å; G181-D185 WeakPolarHBondContact O-CB 3.47Å; G181-D185 PolarHBondContact O-N 3.47Å
182K93.8Very high91.8Very high73 Ų7355.3 Ų55.332%0.31729%0.292SS..Hα-helixtrans-55.1-41.3178.2-71.2-176179.5170.50112.9E178 G186 E187 T188E178-K182 HydrophobicContact CG-CD 4.39Å; E178-K182 WeakPolarHBondContact O-CG 3.35Å; E178-K182 PolarHBondContact O-N 2.99Å; E178-K182 WeakPolarHBondContact OE1-CE 3.28Å; E178-K182 IonicContact OE1-NZ 3.08Å; E178-K182 PolarHBondContact OE1-NZ 2.83Å; K182-G186 PolarHBondContact O-N 3.07Å; K182-E187 HydrophobicContact CB-CB 4.14Å; K182-E187 HydrophobicContact CG-CB 4.47Å; K182-E187 WeakPolarHBondContact O-CA 3.33Å; K182-E187 WeakPolarHBondContact O-CB 3.5Å; K182-E187 PolarHBondContact O-N 3.18Å; K182-T188 HydrophobicContact CB-CG2 4.22Å; K182-T188 PolarHBondContact O-N 3.13Å; K182-T188 VanDerWaalsContact O-N 3.12Å
183F93.7Very high92.2Very high1 Ų152.7 Ų52.70%0.00427%0.27CS..Hα-helixtrans-73.1-42.7178.9179.7-108.8000112.6V140 A179 L180 G181 D185 G186 T188 L191 V203 V206V140-F183 WeakPolarHBondContact O-CE2 3.32Å; A179-F183 WeakPolarHBondContact O-CB 3.36Å; A179-F183 PolarHBondContact O-N 2.82Å; A179-F183 VanDerWaalsContact O-N 3.17Å; L180-F183 PolarHBondContact O-N 3.15Å; G181-F183 VanDerWaalsContact C-N 3.27Å; G181-F183 PolarHBondContact O-N 3.26Å; F183-D185 VanDerWaalsContact C-N 3.31Å; F183-D185 PolarHBondContact O-N 2.82Å; F183-G186 PolarHBondContact O-N 3.18Å; F183-T188 WeakPolarHBondContact CA-OG1 3.37Å; F183-T188 WeakPolarHBondContact CB-OG1 3.4Å; F183-T188 PolarHBondContact N-OG1 3.39Å; F183-L191 HydrophobicContact CB-CB 4.08Å; F183-L191 HydrophobicContact CB-CD2 4.27Å; F183-L191 HydrophobicContact CD1-CB 3.8Å; F183-L191 HydrophobicContact CD1-CD2 3.74Å; F183-L191 HydrophobicContact CD1-CG 4.41Å; F183-L191 HydrophobicContact CD2-CB 3.54Å; F183-L191 HydrophobicContact CE1-CB 4.06Å; F183-L191 HydrophobicContact CE1-CD2 4.27Å; F183-L191 HydrophobicContact CE2-CB 3.8Å; F183-L191 HydrophobicContact CG-CB 3.52Å; F183-L191 HydrophobicContact CG-CD2 4.06Å; F183-L191 HydrophobicContact CG-CG 4.34Å; F183-L191 HydrophobicContact CZ-CB 4.06Å; F183-V203 HydrophobicContact CD1-CG1 3.59Å; F183-V203 HydrophobicContact CE1-CG1 3.66Å; F183-V206 HydrophobicContact CE1-CG2 4.08Å
184R89.3Confident92.7Very high147 Ų14747.5 Ų47.556%0.55525%0.246SC*.Hα-helixtrans-62.3-40.3176.8-178.7-166.263.7-144-9.2111.6L180 G181 G186L180-R184 VanDerWaalsContact O-CB 3.28Å; L180-R184 WeakPolarHBondContact O-CB 3.47Å; L180-R184 PolarHBondContact O-N 3Å; G181-R184 PolarHBondContact O-N 3.31Å; G181-R184 VanDerWaalsContact O-N 3.16Å; R184-G186 PolarHBondContact O-N 2.92Å
185D91.1Very high92.5Very high96 Ų9645 Ų4551%0.51322%0.222SC..THydrogen-bonded Turntrans-84.12-175.5-55.9-19.6000111.7G181 F183 E187G181-D185 VanDerWaalsContact O-CB 3.31Å; G181-D185 WeakPolarHBondContact O-CB 3.47Å; G181-D185 PolarHBondContact O-N 3.47Å; F183-D185 VanDerWaalsContact C-N 3.31Å; F183-D185 PolarHBondContact O-N 2.82Å; D185-E187 VanDerWaalsContact C-N 3.3Å; D185-E187 PolarHBondContact O-N 2.89Å
186G91.6Very high91.6Very high25 Ų2544.5 Ų44.526%0.25823%0.226SC..THydrogen-bonded Turntrans77.89.2175.300000114.8K163 K182 F183 R184 T188K163-G186 PolarHBondContact NZ-O 3.04Å; K182-G186 PolarHBondContact O-N 3.07Å; F183-G186 PolarHBondContact O-N 3.18Å; R184-G186 PolarHBondContact O-N 2.92Å; G186-T188 VanDerWaalsContact C-N 3.35Å
187E95.3Very high90.8Very high111 Ų11141.9 Ų41.952%0.51922%0.216SC..SBendtrans-66.8-39.7174.7-62.4-177-154.800110.7K163 K182 D185K163-E187 VanDerWaalsContact CD-O 3.31Å; K163-E187 WeakPolarHBondContact CD-O 3.44Å; K163-E187 PolarHBondContact NZ-O 3.42Å; K182-E187 HydrophobicContact CB-CB 4.14Å; K182-E187 HydrophobicContact CG-CB 4.47Å; K182-E187 WeakPolarHBondContact O-CA 3.33Å; K182-E187 WeakPolarHBondContact O-CB 3.5Å; K182-E187 PolarHBondContact O-N 3.18Å; D185-E187 VanDerWaalsContact C-N 3.3Å; D185-E187 PolarHBondContact O-N 2.89Å
188T96.7Very high89.9Confident14 Ų1437.4 Ų37.49%0.08619%0.194CC..  trans-106.3137.9171.455.10000111.8K163 A165 K182 F183 G186K163-T188 CarbonylContact O-C 3.51Å; A165-T188 HydrophobicContact CB-CG2 3.99Å; K182-T188 HydrophobicContact CB-CG2 4.22Å; K182-T188 PolarHBondContact O-N 3.13Å; K182-T188 VanDerWaalsContact O-N 3.12Å; F183-T188 WeakPolarHBondContact CA-OG1 3.37Å; F183-T188 WeakPolarHBondContact CB-OG1 3.4Å; F183-T188 PolarHBondContact N-OG1 3.39Å; G186-T188 VanDerWaalsContact C-N 3.35Å
189D97.5Very high88.8Confident33 Ų3336.3 Ų36.318%0.17619%0.185CC..SBendtrans-82.4-29.3-178.8-58.8-31.8000111.3P137 D138 H139 V140 I162 K163P137-D189 WeakPolarHBondContact O-CB 3.4Å; D138-D189 CarbonylContact C-O 3.57Å; H139-D189 PolarHBondContact N-O 2.81Å; V140-D189 PolarHBondContact N-O 3.21Å; I162-D189 HydrophobicContact CG2-CB 4.45Å; K163-D189 VanDerWaalsContact CE-CG 3.45Å; K163-D189 WeakPolarHBondContact CE-OD1 3.25Å; K163-D189 WeakPolarHBondContact CE-OD2 3.39Å; K163-D189 IonicContact NZ-OD1 3.41Å; K163-D189 PolarHBondContact NZ-OD1 2.71Å; K163-D189 IonicContact NZ-OD2 3.56Å; K163-D189 PolarHBondContact O-N 3.22Å
190V98.3Very high87.5Confident1 Ų138.6 Ų38.61%0.00621%0.21CC..EExtended strand (participates in β ladder)trans-129.8130.7-177.1-172.60000110.4L132 V140 L142 I162 K163 V164 A165 I192L132-V190 HydrophobicContact CD1-CG2 4.09Å; L132-V190 HydrophobicContact CD2-CG2 3.8Å; V140-V190 HydrophobicContact CB-CG1 4.43Å; V140-V190 HydrophobicContact CB-CG2 4.25Å; V140-V190 WeakPolarHBondContact O-CA 3.4Å; L142-V190 HydrophobicContact CB-CG1 4.05Å; I162-V190 HydrophobicContact CG2-CG2 3.72Å; K163-V190 PolarHBondContact O-N 3.43Å; V164-V190 WeakPolarHBondContact CA-O 3.22Å; V164-V190 HydrophobicContact CG1-CB 4.41Å; V164-V190 HydrophobicContact CG2-CB 4.14Å; A165-V190 PolarHBondContact N-O 2.9Å; V190-I192 HydrophobicContact CG1-CG1 4.14Å
191L96.9Very high86.4Confident1 Ų138 Ų381%0.00521%0.207CC..EExtended strand (participates in β ladder)trans-108112.6166.4-179.863.3000108.9V140 L141 L142 A165 L167 L180 F183 V203V140-L191 PolarHBondContact O-N 3.41Å; L141-L191 HydrophobicContact CD1-CB 4.14Å; L141-L191 HydrophobicContact CD1-CD2 3.94Å; L141-L191 HydrophobicContact CD1-CG 4.04Å; L142-L191 PolarHBondContact N-O 3.37Å; A165-L191 HydrophobicContact CB-CD1 3.82Å; A165-L191 WeakPolarHBondContact O-CA 3.35Å; L167-L191 HydrophobicContact CB-CD1 4.04Å; L167-L191 HydrophobicContact CD2-CD1 4.45Å; L167-L191 HydrophobicContact CD2-CD2 4.24Å; L180-L191 HydrophobicContact CD2-CD2 3.76Å; F183-L191 HydrophobicContact CB-CB 4.08Å; F183-L191 HydrophobicContact CB-CD2 4.27Å; F183-L191 HydrophobicContact CD1-CB 3.8Å; F183-L191 HydrophobicContact CD1-CD2 3.74Å; F183-L191 HydrophobicContact CD1-CG 4.41Å; F183-L191 HydrophobicContact CD2-CB 3.54Å; F183-L191 HydrophobicContact CE1-CB 4.06Å; F183-L191 HydrophobicContact CE1-CD2 4.27Å; F183-L191 HydrophobicContact CE2-CB 3.8Å; F183-L191 HydrophobicContact CG-CB 3.52Å; F183-L191 HydrophobicContact CG-CD2 4.06Å; F183-L191 HydrophobicContact CG-CG 4.34Å; F183-L191 HydrophobicContact CZ-CB 4.06Å; L191-V203 HydrophobicContact CD2-CG2 4.48Å
192I97.7Very high85.5Confident0 Ų042.5 Ų42.50%023%0.227CC..EExtended strand (participates in β ladder)trans-89.4126.8174.7-43.8-174.9000108.5L142 V144 C150 L153 R154 L157 V164 A165 E166 L167 V190L142-I192 HydrophobicContact CB-CG1 4.4Å; L142-I192 HydrophobicContact CB-CG2 4.45Å; L142-I192 HydrophobicContact CD2-CD1 4.11Å; L142-I192 HydrophobicContact CD2-CG1 3.98Å; L142-I192 HydrophobicContact CD2-CG2 4.04Å; L142-I192 HydrophobicContact CG-CG2 4.21Å; L142-I192 CarbonylContact O-C 3.53Å; L142-I192 VanDerWaalsContact O-CA 3.32Å; L142-I192 WeakPolarHBondContact O-CA 3.27Å; V144-I192 HydrophobicContact CB-CG2 4.42Å; V144-I192 HydrophobicContact CG1-CG2 3.7Å; V144-I192 HydrophobicContact CG2-CG2 3.79Å; C150-I192 HydrophobicContact CB-CG2 4.33Å; C150-I192 VanDerWaalsContact SG-CG2 3.52Å; C150-I192 PolarHBondContact SG-O 2.8Å; L153-I192 HydrophobicContact CB-CD1 3.56Å; R154-I192 HydrophobicContact CB-CD1 4.46Å; L157-I192 HydrophobicContact CD1-CD1 4.03Å; V164-I192 HydrophobicContact CG1-CD1 3.61Å; V164-I192 HydrophobicContact CG1-CG1 3.6Å; A165-I192 PolarHBondContact O-N 2.84Å; E166-I192 CarbonylContact C-O 3.58Å; E166-I192 WeakPolarHBondContact CA-O 3.4Å; L167-I192 PolarHBondContact N-O 3.32Å; V190-I192 HydrophobicContact CG1-CG1 4.14Å
193A94.8Very high84.6Confident0 Ų039.5 Ų39.50%022%0.215CC..EExtended strand (participates in β ladder)trans-135.9139.5-177.400000113L141 L142 F143 V144 L167 A198L141-A193 HydrophobicContact CD1-CB 4.29Å; L142-A193 PolarHBondContact O-N 2.93Å; F143-A193 WeakPolarHBondContact CA-O 3.26Å; V144-A193 PolarHBondContact N-O 2.61Å; L167-A193 HydrophobicContact CB-CB 4.02Å; L167-A193 HydrophobicContact CD2-CB 4.39Å; L167-A193 VanDerWaalsContact O-CA 3.3Å; L167-A193 WeakPolarHBondContact O-CA 3.36Å; A193-A198 HydrophobicContact CB-CB 3.84Å
194T91.5Very high83.7Confident6 Ų646 Ų464%0.03725%0.246CC..EExtended strand (participates in β ladder)trans-78.8149.6163.1590000110.2V144 R147 C150 L167 H168 V196 A197 A198V144-T194 HydrophobicContact CG2-CG2 4.16Å; V144-T194 WeakPolarHBondContact O-CA 3.36Å; R147-T194 HydrophobicContact CG-CG2 4.31Å; C150-T194 HydrophobicContact CB-CG2 4.25Å; L167-T194 PolarHBondContact O-N 2.72Å; H168-T194 HydrophobicContact CB-CG2 3.97Å; T194-V196 VanDerWaalsContact C-N 3.28Å; T194-V196 PolarHBondContact O-N 3.41Å; T194-A197 PolarHBondContact O-N 2.82Å; T194-A197 WeakPolarHBondContact OG1-CB 3.3Å; T194-A198 WeakPolarHBondContact O-CB 3.32Å; T194-A198 PolarHBondContact O-N 3.4Å
195D82.1Confident83.4Confident23 Ų2340.6 Ų40.612%0.12324%0.235CC..Hα-helixtrans-50.6-48.5178.9-70.5-82.9000113A197 A198 R199 Q220 R224D195-A197 PolarHBondContact O-N 2.85Å; D195-A198 PolarHBondContact O-N 3.32Å; D195-R199 WeakPolarHBondContact O-CG 3.35Å; D195-R199 PolarHBondContact O-N 2.79Å; D195-Q220 PolarHBondContact OD1-NE2 3.03Å; D195-Q220 PolarHBondContact OD2-NE2 3.2Å; D195-R224 VanDerWaalsContact CG-NH2 3.3Å; D195-R224 IonicContact OD1-CZ 2.67Å; D195-R224 IonicContact OD1-NE 2.7Å; D195-R224 PolarHBondContact OD1-NE 3.32Å; D195-R224 IonicContact OD1-NH2 3.99Å; D195-R224 PolarHBondContact OD1-NH2 2.9Å; D195-R224 IonicContact OD2-CZ 2.94Å; D195-R224 IonicContact OD2-NE 3.49Å; D195-R224 IonicContact OD2-NH2 2.67Å; D195-R224 PolarHBondContact OD2-NH2 2.88Å
196V72.4Confident83.5Confident87 Ų8736.4 Ų36.453%0.52721%0.214SC..Hα-helixtrans-58.8-36.6-178.6178.60000111.3T194T194-V196 VanDerWaalsContact C-N 3.28Å; T194-V196 PolarHBondContact O-N 3.41Å
197A70.7Confident83.6Confident1 Ų139.9 Ų39.91%0.00822%0.221CC..Hα-helixtrans-87.2-24.3-176.600000113.6L167 H168 R176 T194 D195 I201L167-A197 HydrophobicContact CG-CB 4.19Å; L167-A197 VanDerWaalsContact O-CB 3.26Å; L167-A197 WeakPolarHBondContact O-CB 3.38Å; H168-A197 VanDerWaalsContact CA-CB 3.41Å; R176-A197 PolarHBondContact NH2-O 2.9Å; T194-A197 PolarHBondContact O-N 2.82Å; T194-A197 WeakPolarHBondContact OG1-CB 3.3Å; D195-A197 PolarHBondContact O-N 2.85Å; A197-I201 WeakPolarHBondContact O-CD1 3.26Å
198A68.8Low83.6Confident8 Ų834.9 Ų34.97%0.06620%0.199CC..Hα-helixtrans-82.4-12.4177.200000114.3F143 A193 T194 D195 I201F143-A198 HydrophobicContact CD1-CB 4.3Å; F143-A198 HydrophobicContact CE1-CB 3.39Å; F143-A198 HydrophobicContact CZ-CB 4.05Å; A193-A198 HydrophobicContact CB-CB 3.84Å; T194-A198 WeakPolarHBondContact O-CB 3.32Å; T194-A198 PolarHBondContact O-N 3.4Å; D195-A198 PolarHBondContact O-N 3.32Å; A198-I201 WeakPolarHBondContact O-CB 3.46Å; A198-I201 PolarHBondContact O-N 2.89Å
199R70.2Confident83.5Confident82 Ų8234.2 Ų34.231%0.30920%0.195SC..THydrogen-bonded Turntrans-59.8141.5175.3-76.6170.8-168.6-179.43.3111.2E53 D195 I201E53-R199 IonicContact OE1-CZ 3.6Å; E53-R199 IonicContact OE1-NH1 2.67Å; E53-R199 PolarHBondContact OE1-NH1 2.84Å; E53-R199 IonicContact OE1-NH2 2.64Å; D195-R199 WeakPolarHBondContact O-CG 3.35Å; D195-R199 PolarHBondContact O-N 2.79Å; R199-I201 WeakPolarHBondContact O-CG1 3.41Å; R199-I201 PolarHBondContact O-N 3.24Å
200G63.9Low83.6Confident58 Ų5832.7 Ų32.760%0.59819%0.186SC*.THydrogen-bonded Turntrans660.5-177.700000115.3D202G200-D202 PolarHBondContact O-N 2.96Å
201I67.8Low83.5Confident19 Ų1932.6 Ų32.610%0.09719%0.186CC..  trans-85.8110.6-178.6-54.3-167.3000109L167 L180 A197 A198 R199 V203 R227L167-I201 HydrophobicContact CD1-CD1 4.49Å; L167-I201 HydrophobicContact CD2-CD1 3.16Å; L167-I201 HydrophobicContact CG-CD1 4.14Å; L180-I201 HydrophobicContact CD1-CD1 3.9Å; L180-I201 HydrophobicContact CD1-CG2 3.94Å; L180-I201 HydrophobicContact CD2-CD1 4Å; L180-I201 HydrophobicContact CD2-CG2 3.35Å; L180-I201 HydrophobicContact CG-CD1 4.42Å; L180-I201 HydrophobicContact CG-CG2 4.27Å; A197-I201 WeakPolarHBondContact O-CD1 3.26Å; A198-I201 WeakPolarHBondContact O-CB 3.46Å; A198-I201 PolarHBondContact O-N 2.89Å; R199-I201 WeakPolarHBondContact O-CG1 3.41Å; R199-I201 PolarHBondContact O-N 3.24Å; I201-V203 HydrophobicContact CB-CG2 4.47Å; I201-V203 HydrophobicContact CG2-CG2 3.26Å; I201-R227 PolarHBondContact O-NH1 2.84Å
202D71Confident83.6Confident106 Ų10633 Ų3357%0.56719%0.188SC*.  trans-86.3103.4164-16511.2000109.1G200 R230G200-D202 PolarHBondContact O-N 2.96Å; D202-R230 IonicContact OD1-CZ 2.79Å; D202-R230 IonicContact OD1-NH1 3.4Å; D202-R230 PolarHBondContact OD1-NH1 3.36Å
203V74.8Confident83.4Confident11 Ų1134 Ų347%0.06719%0.194CC..  trans-109.7110.9171-168.40000108.1L180 F183 L191 I201 V206L180-V203 HydrophobicContact CD2-CG2 3.81Å; F183-V203 HydrophobicContact CD1-CG1 3.59Å; F183-V203 HydrophobicContact CE1-CG1 3.66Å; L191-V203 HydrophobicContact CD2-CG2 4.48Å; I201-V203 HydrophobicContact CB-CG2 4.47Å; I201-V203 HydrophobicContact CG2-CG2 3.26Å; V203-V206 HydrophobicContact CB-CG2 4.05Å; V203-V206 HydrophobicContact CG1-CG2 4.12Å
204E76.3Confident83.3Confident137 Ų13734.3 Ų34.364%0.6420%0.196SC*.THydrogen-bonded Turntrans-70.6152.4171.5-64-171-176.900111.2V206E204-V206 PolarHBondContact O-N 3.38Å
205G82Confident83.3Confident33 Ų3334.1 Ų34.134%0.3420%0.195SC..THydrogen-bonded Turntrans82.84.3169.900000116.5K207G205-K207 PolarHBondContact O-N 2.81Å
206V92.4Very high83.5Confident9 Ų940 Ų406%0.05522%0.219CC..  trans-60.2111.3174.2-178.30000110.4L141 F183 V203 E204 T208 V209 R227 T228L141-V206 HydrophobicContact CB-CG1 3.74Å; L141-V206 HydrophobicContact CB-CG2 4.36Å; L141-V206 HydrophobicContact CD2-CG2 4.49Å; F183-V206 HydrophobicContact CE1-CG2 4.08Å; V203-V206 HydrophobicContact CB-CG2 4.05Å; V203-V206 HydrophobicContact CG1-CG2 4.12Å; E204-V206 PolarHBondContact O-N 3.38Å; V206-T208 WeakPolarHBondContact CG1-O 3.33Å; V206-V209 HydrophobicContact CG1-CG2 3.89Å; V206-R227 WeakPolarHBondContact CB-O 3.45Å; V206-T228 WeakPolarHBondContact O-CB 3.49Å; V206-T228 PolarHBondContact O-OG1 3.44Å
207K93.5Very high84.2Confident97 Ų9738 Ų3842%0.42221%0.209SC..  trans-80.7-39.8178.8-66179.6-167.1174.20111.8D138 H139 G205 T228 K236D138-K207 WeakPolarHBondContact OD1-CD 3.38Å; D138-K207 WeakPolarHBondContact OD1-CE 3.33Å; D138-K207 IonicContact OD1-NZ 3.91Å; D138-K207 PolarHBondContact OD1-NZ 2.89Å; D138-K207 IonicContact OD2-NZ 2.65Å; D138-K207 PolarHBondContact OD2-NZ 2.79Å; H139-K207 HydrophobicContact CB-CB 4.19Å; H139-K207 HydrophobicContact CB-CD 4.06Å; H139-K207 HydrophobicContact CB-CG 3.85Å; H139-K207 PolarHBondContact O-N 2.67Å; G205-K207 PolarHBondContact O-N 2.81Å; K207-T228 PolarHBondContact O-OG1 2.78Å; K207-K236 PolarHBondContact O-N 3.3Å
208T96Very high84.9Confident7 Ų739 Ų394%0.04321%0.214CC..EExtended strand (participates in β ladder)trans-136.2132.4-176.8-51.20000110.7F136 H139 V140 L141 V206 I210 K236 V238F136-T208 HydrophobicContact CB-CG2 4.45Å; F136-T208 HydrophobicContact CD1-CG2 3.82Å; F136-T208 WeakPolarHBondContact CD1-OG1 3.44Å; F136-T208 HydrophobicContact CD2-CG2 4.1Å; F136-T208 HydrophobicContact CE1-CG2 4.02Å; F136-T208 HydrophobicContact CE2-CG2 4.28Å; F136-T208 HydrophobicContact CG-CG2 3.86Å; F136-T208 HydrophobicContact CZ-CG2 4.24Å; H139-T208 PolarHBondContact O-N 3.05Å; V140-T208 WeakPolarHBondContact CA-O 3.45Å; L141-T208 PolarHBondContact N-O 2.99Å; V206-T208 WeakPolarHBondContact CG1-O 3.33Å; T208-I210 HydrophobicContact CG2-CG1 4.02Å; T208-K236 CarbonylContact C-O 3.53Å; T208-K236 VanDerWaalsContact CA-O 3.28Å; T208-K236 WeakPolarHBondContact CA-O 3.34Å; T208-K236 HydrophobicContact CG2-CB 4.08Å; T208-V238 HydrophobicContact CG2-CG2 4.46Å
209V95.6Very high85.6Confident0 Ų040.8 Ų40.80%022%0.22CC..EExtended strand (participates in β ladder)trans-100.6129.3166.1173.80000108.2L141 F143 V206 R227 T228 K236 A237 V238L141-V209 HydrophobicContact CB-CG2 4.45Å; L141-V209 CarbonylContact O-C 3.59Å; L141-V209 WeakPolarHBondContact O-CA 3.5Å; F143-V209 HydrophobicContact CD2-CG1 3.81Å; F143-V209 HydrophobicContact CE2-CG1 3.89Å; V206-V209 HydrophobicContact CG1-CG2 3.89Å; V209-R227 HydrophobicContact CG2-CB 4.05Å; V209-T228 HydrophobicContact CB-CG2 4.34Å; V209-T228 HydrophobicContact CG2-CG2 3.79Å; V209-K236 PolarHBondContact N-O 2.85Å; V209-A237 CarbonylContact O-C 3.3Å; V209-A237 VanDerWaalsContact O-CA 3.3Å; V209-A237 WeakPolarHBondContact O-CA 3.39Å; V209-V238 PolarHBondContact O-N 2.99Å
210I98.3Very high86.2Confident0 Ų038.4 Ų38.40%021%0.212CC..EExtended strand (participates in β ladder)trans-115.2125.8172-58.2-177.9000108.7L128 L131 L132 F136 V140 L141 L142 F143 T208 V238L128-I210 HydrophobicContact CD1-CD1 4.31Å; L128-I210 HydrophobicContact CD1-CG2 4.21Å; L131-I210 HydrophobicContact CB-CD1 4.36Å; L131-I210 HydrophobicContact CD1-CD1 4.26Å; L132-I210 HydrophobicContact CD2-CD1 3.99Å; F136-I210 HydrophobicContact CD2-CD1 4.07Å; V140-I210 HydrophobicContact CG1-CB 4.38Å; V140-I210 HydrophobicContact CG1-CD1 3.62Å; V140-I210 HydrophobicContact CG1-CG1 3.73Å; L141-I210 PolarHBondContact O-N 2.86Å; L142-I210 CarbonylContact C-O 3.54Å; L142-I210 WeakPolarHBondContact CA-O 3.45Å; L142-I210 HydrophobicContact CD1-CB 3.69Å; L142-I210 HydrophobicContact CD1-CG2 3.53Å; F143-I210 PolarHBondContact N-O 2.84Å; T208-I210 HydrophobicContact CG2-CG1 4.02Å; I210-V238 CarbonylContact C-O 3.54Å; I210-V238 VanDerWaalsContact CA-O 3.25Å; I210-V238 WeakPolarHBondContact CA-O 3.47Å; I210-V238 HydrophobicContact CG1-CB 4.42Å
211N97.8Very high87.4Confident0 Ų035.6 Ų35.60%018%0.184CC..EExtended strand (participates in β ladder)trans-94.7105.8168.8-65.3-65.7000108.4S213 R224 V238 S239 L240N211-S213 PolarHBondContact O-N 2.74Å; N211-R224 WeakPolarHBondContact OD1-CD 3.46Å; N211-R224 PolarHBondContact OD1-NH1 3.39Å; N211-V238 PolarHBondContact N-O 3.02Å; N211-S239 PolarHBondContact ND2-OG 2.94Å; N211-L240 PolarHBondContact O-N 2.86Å
212F97.4Very high88.3Confident10 Ų1036.4 Ų36.44%0.04419%0.188CC..SBendtrans-63.3-32.5176.8-168.1-99.4000111.7R124 E125 L128 L142 F143 V144 L149 L153 L240R124-F212 HydrophobicContact CB-CE1 3.95Å; R124-F212 HydrophobicContact CB-CE2 3.81Å; R124-F212 HydrophobicContact CB-CZ 3.39Å; R124-F212 HydrophobicContact CG-CE1 4.5Å; R124-F212 HydrophobicContact CG-CZ 4.37Å; R124-F212 PolarHBondContact NH1-O 3.42Å; E125-F212 HydrophobicContact CG-CZ 4.09Å; L128-F212 HydrophobicContact CB-CD2 4.33Å; L128-F212 HydrophobicContact CB-CE2 4.07Å; L128-F212 HydrophobicContact CD2-CD2 3.83Å; L128-F212 HydrophobicContact CD2-CE2 3.8Å; L128-F212 HydrophobicContact CG-CD2 4.49Å; L142-F212 HydrophobicContact CD1-CB 3.98Å; F143-F212 WeakPolarHBondContact O-CB 3.22Å; F143-F212 PolarHBondContact O-N 2.79Å; V144-F212 HydrophobicContact CG1-CB 3.82Å; V144-F212 HydrophobicContact CG1-CG 4.26Å; L149-F212 HydrophobicContact CD1-CE1 4.21Å; L149-F212 HydrophobicContact CD2-CD1 3.75Å; L149-F212 HydrophobicContact CD2-CE1 3.79Å; L149-F212 HydrophobicContact CG-CE1 4.44Å; L153-F212 HydrophobicContact CD1-CD1 4.47Å; L153-F212 HydrophobicContact CD1-CD2 4.03Å; L153-F212 HydrophobicContact CD1-CE1 4.43Å; L153-F212 HydrophobicContact CD1-CE2 3.98Å; L153-F212 HydrophobicContact CD1-CG 4.25Å; L153-F212 HydrophobicContact CD1-CZ 4.17Å; L153-F212 HydrophobicContact CD2-CE2 4.35Å; L153-F212 HydrophobicContact CD2-CZ 4.42Å; F212-L240 HydrophobicContact CD2-CD1 4.12Å; F212-L240 HydrophobicContact CE2-CD1 4.42Å; F212-L240 WeakPolarHBondContact O-CB 3.23Å
213S93.3Very high88.9Confident20 Ų2033.9 Ų33.914%0.1417%0.173CC..SBendtrans-134146.9163.755.50000109.2N211 R224N211-S213 PolarHBondContact O-N 2.74Å; S213-R224 PolarHBondContact O-NH1 3.1Å
214L93.6Very high89.6Confident6 Ų633.6 Ų33.63%0.03117%0.17CC..  trans-64.4138.9175.4-157.368.9000109.2F113 Y221 V241 D245 V248 L249 I252F113-L214 HydrophobicContact CE1-CD1 4.26Å; L214-Y221 HydrophobicContact CD1-CD2 3.96Å; L214-Y221 HydrophobicContact CD1-CE2 4.22Å; L214-V241 HydrophobicContact CB-CG1 4.21Å; L214-V241 HydrophobicContact CD1-CG1 3.94Å; L214-V241 HydrophobicContact CD2-CG1 4.03Å; L214-V241 HydrophobicContact CG-CG1 4.29Å; L214-D245 HydrophobicContact CB-CB 4.18Å; L214-D245 HydrophobicContact CD2-CB 3.7Å; L214-V248 HydrophobicContact CD2-CB 3.89Å; L214-V248 HydrophobicContact CD2-CG1 3.84Å; L214-V248 HydrophobicContact CG-CG1 4.31Å; L214-L249 HydrophobicContact CD2-CB 4.42Å; L214-I252 HydrophobicContact CD1-CD1 3.84Å; L214-I252 HydrophobicContact CD2-CD1 4.04Å; L214-I252 HydrophobicContact CG-CD1 4.34Å
215P90.7Very high90.2Very high2 Ų227.1 Ų27.11%0.01314%0.14CC..  trans-68.5162.2174.225.6-30.8000111.8S217 Q220 Y221P215-S217 PolarHBondContact O-N 2.85Å; P215-Q220 HydrophobicContact CB-CB 3.8Å; P215-Q220 HydrophobicContact CB-CG 3.53Å; P215-Q220 VanDerWaalsContact CB-OE1 3.31Å; P215-Q220 HydrophobicContact CG-CB 4.38Å; P215-Q220 HydrophobicContact CG-CG 4.34Å; P215-Y221 VanDerWaalsContact CG-CA 3.41Å; P215-Y221 HydrophobicContact CG-CD2 4.33Å; P215-Y221 VanDerWaalsContact CG-N 3.33Å
216F87.6Confident90.3Very high146 Ų14627.1 Ų27.164%0.6414%0.14SC*.SBendtrans-71.1-15-174.8-63.8-68000114.9Q145 V248Q145-F216 HydrophobicContact CG-CE2 4.41Å; F216-V248 VanDerWaalsContact O-CG2 3.31Å; F216-V248 WeakPolarHBondContact O-CG2 3.18Å
217S87Confident90Very high45 Ų4529 Ų2932%0.31515%0.146SC..SBendtrans-138.9151.8-179.966.90000112P215 K219 Q220 Y221P215-S217 PolarHBondContact O-N 2.85Å; S217-K219 PolarHBondContact O-N 2.94Å; S217-Q220 PolarHBondContact O-N 3.08Å; S217-Q220 WeakPolarHBondContact OG-CB 3.5Å; S217-Q220 PolarHBondContact OG-N 3.01Å; S217-Y221 PolarHBondContact O-N 2.91Å
218F86Confident89.8Confident22 Ų2224.6 Ų24.610%0.09613%0.127CC..Hα-helixtrans-57.7-37.4172.7172.8-113.2000112.4Y221 L222 E251 I252 H255F218-Y221 HydrophobicContact CD2-CD1 4.47Å; F218-Y221 HydrophobicContact CE2-CD1 4.46Å; F218-Y221 VanDerWaalsContact O-CB 3.31Å; F218-Y221 WeakPolarHBondContact O-CB 3.48Å; F218-Y221 PolarHBondContact O-N 3.21Å; F218-L222 PolarHBondContact O-N 3.21Å; F218-E251 HydrophobicContact CB-CB 3.88Å; F218-E251 VanDerWaalsContact CB-OE2 3.3Å; F218-E251 WeakPolarHBondContact CB-OE2 3.47Å; F218-E251 HydrophobicContact CD2-CB 4.48Å; F218-E251 HydrophobicContact CG-CB 4.23Å; F218-I252 HydrophobicContact CD2-CB 4.23Å; F218-I252 HydrophobicContact CD2-CG1 3.65Å; F218-I252 HydrophobicContact CE2-CB 4.42Å; F218-I252 HydrophobicContact CE2-CG1 4.2Å; F218-H255 HydrophobicContact CE1-CB 3.91Å; F218-H255 AromaticContact CE1-CG 3.84Å; F218-H255 AromaticContact CE1-ND1 3.88Å; F218-H255 HydrophobicContact CE2-CB 3.97Å; F218-H255 HydrophobicContact CZ-CB 3.39Å; F218-H255 AromaticContact CZ-CG 3.84Å
219K81.7Confident89.3Confident47 Ų4724.7 Ų24.720%0.20413%0.129CC..Hα-helixtrans-61.8-46.7177.6-178.2174.5173.5176.60112.2D48 R49 T78 S217 Y221 L222 H223D48-K219 WeakPolarHBondContact OD2-CE 3.4Å; D48-K219 IonicContact OD2-NZ 3.77Å; D48-K219 PolarHBondContact OD2-NZ 3.26Å; R49-K219 VanDerWaalsContact NH2-NZ 3.16Å; T78-K219 HydrophobicContact CG2-CD 4.01Å; T78-K219 HydrophobicContact CG2-CG 4.44Å; T78-K219 WeakPolarHBondContact OG1-CE 3.33Å; T78-K219 PolarHBondContact OG1-NZ 2.7Å; S217-K219 PolarHBondContact O-N 2.94Å; K219-Y221 VanDerWaalsContact C-N 3.3Å; K219-Y221 PolarHBondContact O-N 2.9Å; K219-L222 WeakPolarHBondContact O-CB 3.21Å; K219-L222 PolarHBondContact O-N 2.95Å; K219-H223 PolarHBondContact O-CD2 3.45Å; K219-H223 PolarHBondContact O-N 2.93Å
220Q84.3Confident88.5Confident31 Ų3129 Ų2915%0.14515%0.145CC..Hα-helixtrans-65.4-36.4176.3-174.6176.23100111.4D195 P215 S217 L222 H223 R224D195-Q220 PolarHBondContact OD1-NE2 3.03Å; D195-Q220 PolarHBondContact OD2-NE2 3.2Å; P215-Q220 HydrophobicContact CB-CB 3.8Å; P215-Q220 HydrophobicContact CB-CG 3.53Å; P215-Q220 VanDerWaalsContact CB-OE1 3.31Å; P215-Q220 HydrophobicContact CG-CB 4.38Å; P215-Q220 HydrophobicContact CG-CG 4.34Å; S217-Q220 PolarHBondContact O-N 3.08Å; S217-Q220 WeakPolarHBondContact OG-CB 3.5Å; S217-Q220 PolarHBondContact OG-N 3.01Å; Q220-L222 PolarHBondContact O-N 3.3Å; Q220-H223 PolarHBondContact O-N 3.17Å; Q220-R224 WeakPolarHBondContact O-CG 3.45Å; Q220-R224 PolarHBondContact O-N 3.16Å; Q220-R224 VanDerWaalsContact O-N 3.08Å
221Y89.3Confident87.2Confident0 Ų033.8 Ų33.80%019%0.185CC..Hα-helixtrans-55.9-50.4170.7176.9-100.5000111.8M105 Q111 L214 P215 S217 F218 K219 H223 R224 V225 S239 I252M105-Y221 HydrophobicContact SD-CE1 3.85Å; Q111-Y221 PolarHBondContact OE1-OH 3.19Å; L214-Y221 HydrophobicContact CD1-CD2 3.96Å; L214-Y221 HydrophobicContact CD1-CE2 4.22Å; P215-Y221 VanDerWaalsContact CG-CA 3.41Å; P215-Y221 HydrophobicContact CG-CD2 4.33Å; P215-Y221 VanDerWaalsContact CG-N 3.33Å; S217-Y221 PolarHBondContact O-N 2.91Å; F218-Y221 HydrophobicContact CD2-CD1 4.47Å; F218-Y221 HydrophobicContact CE2-CD1 4.46Å; F218-Y221 VanDerWaalsContact O-CB 3.31Å; F218-Y221 WeakPolarHBondContact O-CB 3.48Å; F218-Y221 PolarHBondContact O-N 3.21Å; K219-Y221 VanDerWaalsContact C-N 3.3Å; K219-Y221 PolarHBondContact O-N 2.9Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-H223 PolarHBondContact O-N 3.28Å; Y221-R224 PolarHBondContact O-N 2.86Å; Y221-R224 VanDerWaalsContact O-N 3.13Å; Y221-V225 HydrophobicContact CD1-CG2 4.25Å; Y221-V225 HydrophobicContact CD2-CG1 4.03Å; Y221-V225 HydrophobicContact CE1-CG1 4.07Å; Y221-V225 HydrophobicContact CE1-CG2 3.93Å; Y221-V225 HydrophobicContact CE2-CG1 3.49Å; Y221-V225 VanDerWaalsContact CE2-CG1 3.49Å; Y221-V225 WeakPolarHBondContact O-CG2 3.41Å; Y221-V225 PolarHBondContact O-N 3.42Å; Y221-S239 WeakPolarHBondContact CE2-OG 3.31Å; Y221-I252 HydrophobicContact CD1-CB 4.46Å; Y221-I252 HydrophobicContact CD1-CD1 3.73Å; Y221-I252 HydrophobicContact CD1-CG1 3.6Å; Y221-I252 HydrophobicContact CD1-CG2 4.01Å; Y221-I252 HydrophobicContact CD2-CD1 3.69Å; Y221-I252 HydrophobicContact CD2-CG1 4.48Å; Y221-I252 HydrophobicContact CE1-CB 4.36Å; Y221-I252 HydrophobicContact CE1-CD1 3.98Å; Y221-I252 HydrophobicContact CE1-CG1 3.93Å; Y221-I252 HydrophobicContact CE1-CG2 3.47Å; Y221-I252 VanDerWaalsContact CE1-CG2 3.47Å; Y221-I252 HydrophobicContact CE2-CD1 3.96Å; Y221-I252 HydrophobicContact CG-CD1 3.56Å; Y221-I252 HydrophobicContact CG-CG1 3.88Å
222L85.2Confident86Confident35 Ų3536.7 Ų36.718%0.18322%0.215CC..Hα-helixtrans-57.7-43.4178.6-171.965.2000111.6T103 M105 F218 K219 Q220 R224 G226T103-L222 HydrophobicContact CG2-CD2 4.29Å; M105-L222 HydrophobicContact CG-CD1 3.56Å; F218-L222 PolarHBondContact O-N 3.21Å; K219-L222 WeakPolarHBondContact O-CB 3.21Å; K219-L222 PolarHBondContact O-N 2.95Å; Q220-L222 PolarHBondContact O-N 3.3Å; L222-R224 VanDerWaalsContact C-N 3.31Å; L222-R224 PolarHBondContact O-N 3.46Å; L222-G226 WeakPolarHBondContact O-CA 3.38Å; L222-G226 PolarHBondContact O-N 3.16Å
223H84Confident85.2Confident53 Ų5343.7 Ų43.725%0.24524%0.241CC..Hα-helixtrans-63.8-34178.5-69.9-171.4000113.5K219 Q220 Y221 R227K219-H223 PolarHBondContact O-CD2 3.45Å; K219-H223 PolarHBondContact O-N 2.93Å; Q220-H223 PolarHBondContact O-N 3.17Å; Y221-H223 VanDerWaalsContact C-N 3.31Å; Y221-H223 PolarHBondContact O-N 3.28Å; H223-R227 PolarHBondContact O-NE 3.23Å
224R89.6Confident84.9Confident6 Ų647.6 Ų47.62%0.02327%0.268CS..Hα-helixtrans-73.8-53.5176.9-69.5-173.6-176.7179.83.5111.3F143 D195 N211 S213 Q220 Y221 L222 G226 R227F143-R224 HydrophobicContact CD1-CG 3.81Å; F143-R224 HydrophobicContact CD2-CB 3.83Å; F143-R224 HydrophobicContact CD2-CG 3.87Å; F143-R224 HydrophobicContact CE1-CB 4.44Å; F143-R224 HydrophobicContact CE1-CG 3.78Å; F143-R224 HydrophobicContact CE2-CB 3.65Å; F143-R224 HydrophobicContact CE2-CG 3.87Å; F143-R224 HydrophobicContact CG-CB 4.31Å; F143-R224 HydrophobicContact CG-CG 3.83Å; F143-R224 HydrophobicContact CZ-CB 3.99Å; F143-R224 HydrophobicContact CZ-CG 3.83Å; D195-R224 VanDerWaalsContact CG-NH2 3.3Å; D195-R224 IonicContact OD1-CZ 2.67Å; D195-R224 IonicContact OD1-NE 2.7Å; D195-R224 PolarHBondContact OD1-NE 3.32Å; D195-R224 IonicContact OD1-NH2 3.99Å; D195-R224 PolarHBondContact OD1-NH2 2.9Å; D195-R224 IonicContact OD2-CZ 2.94Å; D195-R224 IonicContact OD2-NE 3.49Å; D195-R224 IonicContact OD2-NH2 2.67Å; D195-R224 PolarHBondContact OD2-NH2 2.88Å; N211-R224 WeakPolarHBondContact OD1-CD 3.46Å; N211-R224 PolarHBondContact OD1-NH1 3.39Å; S213-R224 PolarHBondContact O-NH1 3.1Å; Q220-R224 WeakPolarHBondContact O-CG 3.45Å; Q220-R224 PolarHBondContact O-N 3.16Å; Q220-R224 VanDerWaalsContact O-N 3.08Å; Y221-R224 PolarHBondContact O-N 2.86Å; Y221-R224 VanDerWaalsContact O-N 3.13Å; L222-R224 VanDerWaalsContact C-N 3.31Å; L222-R224 PolarHBondContact O-N 3.46Å; R224-G226 VanDerWaalsContact C-N 3.28Å; R224-G226 PolarHBondContact O-N 2.97Å; R224-R227 VanDerWaalsContact O-CB 3.31Å; R224-R227 WeakPolarHBondContact O-CB 3.2Å; R224-R227 WeakPolarHBondContact O-CG 3.33Å; R224-R227 PolarHBondContact O-N 3.32Å; R224-R227 VanDerWaalsContact O-N 3.14Å
225V89.1Confident84.7Confident1 Ų147.5 Ų47.51%0.00627%0.268CS..Hα-helixtrans-72.7-24.9-176.3-56.20000112.6L109 Y221 R227 T228 A237L109-V225 HydrophobicContact CD2-CB 3.93Å; L109-V225 HydrophobicContact CD2-CG2 3.68Å; Y221-V225 HydrophobicContact CD1-CG2 4.25Å; Y221-V225 HydrophobicContact CD2-CG1 4.03Å; Y221-V225 HydrophobicContact CE1-CG1 4.07Å; Y221-V225 HydrophobicContact CE1-CG2 3.93Å; Y221-V225 HydrophobicContact CE2-CG1 3.49Å; Y221-V225 VanDerWaalsContact CE2-CG1 3.49Å; Y221-V225 WeakPolarHBondContact O-CG2 3.41Å; Y221-V225 PolarHBondContact O-N 3.42Å; V225-R227 PolarHBondContact O-N 2.9Å; V225-T228 WeakPolarHBondContact O-CG2 3.33Å; V225-T228 PolarHBondContact O-N 3.26Å; V225-T228 VanDerWaalsContact O-N 3.11Å; V225-A237 HydrophobicContact CB-CB 3.87Å; V225-A237 HydrophobicContact CG1-CB 3.52Å
226G84.6Confident84.8Confident32 Ų3251.3 Ų51.333%0.3329%0.285SS..THydrogen-bonded Turntrans-66.41.6169.900000114.5L222 R224 T228 R230L222-G226 WeakPolarHBondContact O-CA 3.38Å; L222-G226 PolarHBondContact O-N 3.16Å; R224-G226 VanDerWaalsContact C-N 3.28Å; R224-G226 PolarHBondContact O-N 2.97Å; G226-T228 VanDerWaalsContact C-N 3.32Å; G226-R230 PolarHBondContact O-NE 3.44Å; G226-R230 PolarHBondContact O-NH2 2.86Å
227R86.4Confident85.2Confident48 Ų4844.3 Ų44.318%0.18125%0.254CS..THydrogen-bonded Turntrans-78.4-16.9168.4-57.8-65.3142.5-179.7-3.9112.6L141 F143 I201 V206 V209 H223 R224 V225L141-R227 HydrophobicContact CD2-CB 3.61Å; L141-R227 HydrophobicContact CD2-CG 3.71Å; F143-R227 HydrophobicContact CE2-CG 4.39Å; F143-R227 HydrophobicContact CZ-CG 4.15Å; I201-R227 PolarHBondContact O-NH1 2.84Å; V206-R227 WeakPolarHBondContact CB-O 3.45Å; V209-R227 HydrophobicContact CG2-CB 4.05Å; H223-R227 PolarHBondContact O-NE 3.23Å; R224-R227 VanDerWaalsContact O-CB 3.31Å; R224-R227 WeakPolarHBondContact O-CB 3.2Å; R224-R227 WeakPolarHBondContact O-CG 3.33Å; R224-R227 PolarHBondContact O-N 3.32Å; R224-R227 VanDerWaalsContact O-N 3.14Å; V225-R227 PolarHBondContact O-N 2.9Å
228T89Confident85.7Confident5 Ų542.2 Ų42.23%0.03124%0.239CC..SBendtrans-114.9178.7171.3-167.90000110.8L109 V206 K207 V209 V225 G226 R230 G235L109-T228 HydrophobicContact CD1-CG2 3.53Å; V206-T228 WeakPolarHBondContact O-CB 3.49Å; V206-T228 PolarHBondContact O-OG1 3.44Å; K207-T228 PolarHBondContact O-OG1 2.78Å; V209-T228 HydrophobicContact CB-CG2 4.34Å; V209-T228 HydrophobicContact CG2-CG2 3.79Å; V225-T228 WeakPolarHBondContact O-CG2 3.33Å; V225-T228 PolarHBondContact O-N 3.26Å; V225-T228 VanDerWaalsContact O-N 3.11Å; G226-T228 VanDerWaalsContact C-N 3.32Å; T228-R230 PolarHBondContact O-N 2.68Å; T228-G235 WeakPolarHBondContact OG1-CA 3.47Å
229A84.6Confident86.2Confident10 Ų1041.1 Ų41.18%0.08324%0.235CC..SBendtrans55.930.2-177.400000114.9A106 L109 R233A106-A229 HydrophobicContact CB-CB 3.95Å; L109-A229 HydrophobicContact CB-CB 4.07Å; L109-A229 HydrophobicContact CD1-CB 4.06Å; A229-R233 CarbonylContact C-O 3.53Å; A229-R233 WeakPolarHBondContact CA-O 3.47Å
230R78.9Confident87Confident89 Ų8938.9 Ų38.934%0.33623%0.225SC..  trans-80.6153.9179.2-67.2-175.9172.9-161.9-7.3112.3D202 G226 T228 G232 R233D202-R230 IonicContact OD1-CZ 2.79Å; D202-R230 IonicContact OD1-NH1 3.4Å; D202-R230 PolarHBondContact OD1-NH1 3.36Å; G226-R230 PolarHBondContact O-NE 3.44Å; G226-R230 PolarHBondContact O-NH2 2.86Å; T228-R230 PolarHBondContact O-N 2.68Å; R230-G232 VanDerWaalsContact C-N 3.25Å; R230-G232 PolarHBondContact O-N 3.13Å; R230-R233 WeakPolarHBondContact O-CB 3.32Å; R230-R233 PolarHBondContact O-N 3.29Å
231A71.9Confident87.5Confident102 Ų10237.7 Ų37.784%0.84322%0.22SC*.THydrogen-bonded Turntrans50.541.6174.700000113.8R233A231-R233 PolarHBondContact O-N 2.68Å
232G72.3Confident87.7Confident60 Ų6038.1 Ų38.162%0.61922%0.222SC*.THydrogen-bonded Turntrans77.9-5.8179.100000115.4N108 R230N108-G232 PolarHBondContact ND2-O 3.19Å; R230-G232 VanDerWaalsContact C-N 3.25Å; R230-G232 PolarHBondContact O-N 3.13Å
233R81.4Confident87.9Confident158 Ų15839.1 Ų39.160%0.59623%0.226SC*.  trans-67.5151.8175.7-62.1179.8-179.4153.61.5110.8A229 R230 A231A229-R233 CarbonylContact C-O 3.53Å; A229-R233 WeakPolarHBondContact CA-O 3.47Å; R230-R233 WeakPolarHBondContact O-CB 3.32Å; R230-R233 PolarHBondContact O-N 3.29Å; A231-R233 PolarHBondContact O-N 2.68Å
234S86Confident88.2Confident101 Ų10144.5 Ų44.571%0.70625%0.251SS*.  trans-75141.8169.259.60000110.7N108N108-S234 WeakPolarHBondContact O-CA 3.29Å
235G89.6Confident88.3Confident4 Ų445.4 Ų45.44%0.04126%0.256CS..EExtended strand (participates in β ladder)trans-136.9156.8175.100000111.6N108 L110 T228N108-G235 PolarHBondContact O-N 3.01Å; N108-G235 VanDerWaalsContact O-N 3.14Å; L110-G235 PolarHBondContact N-O 2.95Å; T228-G235 WeakPolarHBondContact OG1-CA 3.47Å
236K93.6Very high88.3Confident82 Ų8251.9 Ų51.936%0.35728%0.281SS..EExtended strand (participates in β ladder)trans-117134.9174.6-72.7178.9177.6168.90110.6L110 F136 K207 T208 V209L110-K236 HydrophobicContact CB-CG 4.24Å; L110-K236 HydrophobicContact CD2-CG 4.29Å; L110-K236 CarbonylContact O-C 3.6Å; L110-K236 WeakPolarHBondContact O-CA 3.47Å; F136-K236 HydrophobicContact CE1-CD 3.68Å; F136-K236 HydrophobicContact CZ-CD 4.38Å; K207-K236 PolarHBondContact O-N 3.3Å; T208-K236 CarbonylContact C-O 3.53Å; T208-K236 VanDerWaalsContact CA-O 3.28Å; T208-K236 WeakPolarHBondContact CA-O 3.34Å; T208-K236 HydrophobicContact CG2-CB 4.08Å; V209-K236 PolarHBondContact N-O 2.85Å
237A94.8Very high88.7Confident0 Ų058.7 Ų58.70%030%0.301CS..EExtended strand (participates in β ladder)trans-118.9122.4170.400000109.5L109 L110 Q111 E112 V209 V225L109-A237 HydrophobicContact CD1-CB 4.04Å; L109-A237 HydrophobicContact CG-CB 4.47Å; L110-A237 PolarHBondContact O-N 3.29Å; Q111-A237 CarbonylContact C-O 3.44Å; Q111-A237 WeakPolarHBondContact CA-O 3.06Å; E112-A237 PolarHBondContact N-O 3.31Å; V209-A237 CarbonylContact O-C 3.3Å; V209-A237 VanDerWaalsContact O-CA 3.3Å; V209-A237 WeakPolarHBondContact O-CA 3.39Å; V225-A237 HydrophobicContact CB-CB 3.87Å; V225-A237 HydrophobicContact CG1-CB 3.52Å
238V97.5Very high88.9Confident0 Ų057.1 Ų57.10%030%0.297CS..EExtended strand (participates in β ladder)trans-116.4124175.9-1720000109.8E112 I114 L131 F136 T208 V209 I210 N211E112-V238 HydrophobicContact CB-CG1 4.48Å; E112-V238 HydrophobicContact CB-CG2 4.21Å; E112-V238 CarbonylContact O-C 3.6Å; E112-V238 VanDerWaalsContact O-CA 3.28Å; E112-V238 WeakPolarHBondContact O-CA 3.44Å; I114-V238 HydrophobicContact CD1-CG1 3.84Å; I114-V238 HydrophobicContact CG1-CG1 4.07Å; L131-V238 HydrophobicContact CD1-CG1 3.88Å; F136-V238 HydrophobicContact CE2-CG2 3.56Å; F136-V238 HydrophobicContact CZ-CG2 3.62Å; T208-V238 HydrophobicContact CG2-CG2 4.46Å; V209-V238 PolarHBondContact O-N 2.99Å; I210-V238 CarbonylContact C-O 3.54Å; I210-V238 VanDerWaalsContact CA-O 3.25Å; I210-V238 WeakPolarHBondContact CA-O 3.47Å; I210-V238 HydrophobicContact CG1-CB 4.42Å; N211-V238 PolarHBondContact N-O 3.02Å
239S97.3Very high89Confident0 Ų059 Ų590%031%0.307CS..EExtended strand (participates in β ladder)trans-118.5127.9-179.5-63.60000112E112 F113 I114 N211 Y221E112-S239 PolarHBondContact O-N 3.45Å; F113-S239 WeakPolarHBondContact CA-O 3.35Å; I114-S239 PolarHBondContact N-O 3.37Å; N211-S239 PolarHBondContact ND2-OG 2.94Å; Y221-S239 WeakPolarHBondContact CE2-OG 3.31Å
240L97.4Very high89.3Confident0 Ų066 Ų660%034%0.335CS..EExtended strand (participates in β ladder)trans-83115.9169-51.5-169.7000108.8I114 I116 R124 V127 L131 N211 F212I114-L240 HydrophobicContact CB-CD2 3.77Å; I114-L240 HydrophobicContact CD1-CD2 3.85Å; I114-L240 HydrophobicContact CG1-CD2 4.25Å; I114-L240 HydrophobicContact CG2-CD2 4.3Å; I114-L240 WeakPolarHBondContact O-CA 3.41Å; I116-L240 HydrophobicContact CG1-CB 4.05Å; R124-L240 HydrophobicContact CB-CD1 4.14Å; R124-L240 HydrophobicContact CG-CD1 4.15Å; R124-L240 PolarHBondContact NH1-O 2.92Å; V127-L240 HydrophobicContact CG1-CD1 4.25Å; V127-L240 HydrophobicContact CG1-CD2 3.58Å; L131-L240 HydrophobicContact CD1-CD2 4.5Å; N211-L240 PolarHBondContact O-N 2.86Å; F212-L240 HydrophobicContact CD2-CD1 4.12Å; F212-L240 HydrophobicContact CE2-CD1 4.42Å; F212-L240 WeakPolarHBondContact O-CB 3.23Å
241V95.4Very high89.8Confident6 Ų666.2 Ų66.24%0.03634%0.34CS..EExtended strand (participates in β ladder)trans-120.7140.6-173.4-65.60000112.3F113 I114 R115 I116 L214 D245 L249F113-V241 HydrophobicContact CB-CG2 4.18Å; F113-V241 HydrophobicContact CD1-CG1 3.61Å; F113-V241 HydrophobicContact CD1-CG2 4.39Å; F113-V241 HydrophobicContact CE1-CG1 4.24Å; I114-V241 PolarHBondContact O-N 3.28Å; R115-V241 CarbonylContact C-O 3.6Å; R115-V241 WeakPolarHBondContact CA-O 3.36Å; I116-V241 PolarHBondContact N-O 3.43Å; L214-V241 HydrophobicContact CB-CG1 4.21Å; L214-V241 HydrophobicContact CD1-CG1 3.94Å; L214-V241 HydrophobicContact CD2-CG1 4.03Å; L214-V241 HydrophobicContact CG-CG1 4.29Å; V241-D245 WeakPolarHBondContact CA-OD2 3.48Å; V241-D245 HydrophobicContact CB-CB 4.34Å; V241-L249 HydrophobicContact CG2-CD2 4.47Å
242T93.1Very high90.7Very high9 Ų961.3 Ų61.36%0.05530%0.3CS..  trans-107.7-170.3173.567.50000111I116 E244 D245I116-T242 HydrophobicContact CB-CG2 4.28Å; I116-T242 WeakPolarHBondContact O-CA 3.18Å; T242-E244 VanDerWaalsContact C-N 3.33Å; T242-E244 PolarHBondContact OG1-N 3.22Å; T242-D245 PolarHBondContact N-OD2 2.99Å; T242-D245 PolarHBondContact OG1-OD2 3.49Å
243E89.8Confident91.4Very high56 Ų5662.3 Ų62.326%0.26229%0.294SS..SBendtrans-73.1-26.4175.3-65-74.6-138.800113.7R115 D245 R246R115-E243 IonicContact CZ-OE1 3.26Å; R115-E243 IonicContact CZ-OE2 3.01Å; R115-E243 IonicContact NH1-OE1 3.15Å; R115-E243 IonicContact NH1-OE2 3.65Å; R115-E243 PolarHBondContact NH1-OE2 3.14Å; R115-E243 IonicContact NH2-OE1 3.54Å; R115-E243 PolarHBondContact NH2-OE1 3.05Å; R115-E243 IonicContact NH2-OE2 3.36Å; R115-E243 PolarHBondContact NH2-OE2 2.93Å; E243-D245 VanDerWaalsContact C-N 3.26Å; E243-D245 PolarHBondContact O-N 3.39Å; E243-R246 WeakPolarHBondContact O-CB 3.41Å; E243-R246 VanDerWaalsContact O-CD 3.23Å; E243-R246 WeakPolarHBondContact O-CD 3.19Å; E243-R246 WeakPolarHBondContact O-CG 3.4Å; E243-R246 PolarHBondContact O-N 2.98Å; E243-R246 IonicContact OE1-CZ 3.24Å; E243-R246 IonicContact OE1-NH2 2.74Å; E243-R246 PolarHBondContact OE1-NH2 2.89Å; E243-R246 IonicContact OE2-CZ 3.61Å; E243-R246 IonicContact OE2-NE 3.5Å; E243-R246 PolarHBondContact OE2-NE 3.42Å; E243-R246 IonicContact OE2-NH2 3.94Å; E243-R246 PolarHBondContact OE2-NH2 3.19Å
244E90Very high91.6Very high165 Ų16562.8 Ų62.877%0.77130%0.3SS*.THydrogen-bonded Turntrans-72.2-29-178.9-63.4173-172.800110.6T242 R246T242-E244 VanDerWaalsContact C-N 3.33Å; T242-E244 PolarHBondContact OG1-N 3.22Å; E244-R246 PolarHBondContact O-N 3.26Å; E244-R246 VanDerWaalsContact O-N 3.16Å
245D92.4Very high91.5Very high25 Ų2561.8 Ų61.813%0.13428%0.284CS..THydrogen-bonded Turntrans-72.1-4.4179.5-65.9-32.1000114.2L214 V241 T242 E243 K247 V248 L249L214-D245 HydrophobicContact CB-CB 4.18Å; L214-D245 HydrophobicContact CD2-CB 3.7Å; V241-D245 WeakPolarHBondContact CA-OD2 3.48Å; V241-D245 HydrophobicContact CB-CB 4.34Å; T242-D245 PolarHBondContact N-OD2 2.99Å; T242-D245 PolarHBondContact OG1-OD2 3.49Å; E243-D245 VanDerWaalsContact C-N 3.26Å; E243-D245 PolarHBondContact O-N 3.39Å; D245-K247 PolarHBondContact O-N 3.36Å; D245-K247 VanDerWaalsContact O-N 3.11Å; D245-V248 PolarHBondContact O-N 3.12Å; D245-L249 WeakPolarHBondContact O-CB 3.35Å; D245-L249 PolarHBondContact O-N 2.93Å
246R88.9Confident91Very high138 Ų13862.7 Ų62.752%0.52129%0.29SS..Hα-helixtrans-52.8-37.2-173.5-80.9171.6-177.1-178.10.3113.9E243 E244 K250E243-R246 WeakPolarHBondContact O-CB 3.41Å; E243-R246 VanDerWaalsContact O-CD 3.23Å; E243-R246 WeakPolarHBondContact O-CD 3.19Å; E243-R246 WeakPolarHBondContact O-CG 3.4Å; E243-R246 PolarHBondContact O-N 2.98Å; E243-R246 IonicContact OE1-CZ 3.24Å; E243-R246 IonicContact OE1-NH2 2.74Å; E243-R246 PolarHBondContact OE1-NH2 2.89Å; E243-R246 IonicContact OE2-CZ 3.61Å; E243-R246 IonicContact OE2-NE 3.5Å; E243-R246 PolarHBondContact OE2-NE 3.42Å; E243-R246 IonicContact OE2-NH2 3.94Å; E243-R246 PolarHBondContact OE2-NH2 3.19Å; E244-R246 PolarHBondContact O-N 3.26Å; E244-R246 VanDerWaalsContact O-N 3.16Å; R246-K250 WeakPolarHBondContact O-CB 3.31Å; R246-K250 VanDerWaalsContact O-CG 3.29Å; R246-K250 WeakPolarHBondContact O-CG 3.18Å; R246-K250 PolarHBondContact O-N 3.44Å
247K91.5Very high90Very high174 Ų17464.9 Ų64.976%0.75730%0.299SS*.Hα-helixtrans-65.3-54.1-179.8-70.9-177.7-179.4177.20110.8D245 L249 K250 E251D245-K247 PolarHBondContact O-N 3.36Å; D245-K247 VanDerWaalsContact O-N 3.11Å; K247-L249 VanDerWaalsContact C-N 3.34Å; K247-L249 PolarHBondContact O-N 3.07Å; K247-K250 PolarHBondContact O-N 2.89Å; K247-E251 PolarHBondContact O-N 2.8Å
248V91.5Very high88.9Confident16 Ų1666.5 Ų66.510%0.09731%0.309CS..Hα-helixtrans-64.7-40.8179.1-177.50000110.6L214 F216 D245 K250 E251 I252L214-V248 HydrophobicContact CD2-CB 3.89Å; L214-V248 HydrophobicContact CD2-CG1 3.84Å; L214-V248 HydrophobicContact CG-CG1 4.31Å; F216-V248 VanDerWaalsContact O-CG2 3.31Å; F216-V248 WeakPolarHBondContact O-CG2 3.18Å; D245-V248 PolarHBondContact O-N 3.12Å; V248-K250 VanDerWaalsContact C-N 3.32Å; V248-K250 PolarHBondContact O-N 3.14Å; V248-E251 WeakPolarHBondContact O-CB 3.34Å; V248-E251 PolarHBondContact O-N 2.78Å; V248-E251 VanDerWaalsContact O-N 3.09Å; V248-I252 HydrophobicContact CG1-CD1 4.03Å; V248-I252 HydrophobicContact CG1-CG1 4.37Å; V248-I252 WeakPolarHBondContact O-CG1 3.09Å; V248-I252 PolarHBondContact O-N 3.41Å
249L91.2Very high87.7Confident43 Ų4370.1 Ų70.123%0.22534%0.339CS..Hα-helixtrans-60-40.6177.1-175.261.9000112.3F113 L214 V241 D245 K247 E251 I252 V253F113-L249 HydrophobicContact CD1-CD1 3.54Å; F113-L249 HydrophobicContact CD2-CD1 4.4Å; F113-L249 HydrophobicContact CE1-CD1 3.4Å; F113-L249 HydrophobicContact CE2-CD1 4.3Å; F113-L249 HydrophobicContact CG-CD1 4.04Å; F113-L249 HydrophobicContact CZ-CD1 3.81Å; L214-L249 HydrophobicContact CD2-CB 4.42Å; V241-L249 HydrophobicContact CG2-CD2 4.47Å; D245-L249 WeakPolarHBondContact O-CB 3.35Å; D245-L249 PolarHBondContact O-N 2.93Å; K247-L249 VanDerWaalsContact C-N 3.34Å; K247-L249 PolarHBondContact O-N 3.07Å; L249-E251 VanDerWaalsContact C-N 3.33Å; L249-E251 PolarHBondContact O-N 3.4Å; L249-I252 PolarHBondContact O-N 2.67Å; L249-V253 HydrophobicContact CD1-CG2 4.47Å; L249-V253 VanDerWaalsContact O-CG2 3.25Å; L249-V253 WeakPolarHBondContact O-CG2 3.24Å; L249-V253 PolarHBondContact O-N 3.19Å
250K90.4Very high87.1Confident158 Ų15872.6 Ų72.669%0.68735%0.352SS*.Hα-helixtrans-61.9-41173.9-79.3177.8-179.5-174.30111.9R246 K247 V248 V253 K254R246-K250 WeakPolarHBondContact O-CB 3.31Å; R246-K250 VanDerWaalsContact O-CG 3.29Å; R246-K250 WeakPolarHBondContact O-CG 3.18Å; R246-K250 PolarHBondContact O-N 3.44Å; K247-K250 PolarHBondContact O-N 2.89Å; V248-K250 VanDerWaalsContact C-N 3.32Å; V248-K250 PolarHBondContact O-N 3.14Å; K250-V253 PolarHBondContact O-N 3.14Å; K250-K254 VanDerWaalsContact O-CB 3.29Å; K250-K254 WeakPolarHBondContact O-CB 3.44Å; K250-K254 PolarHBondContact O-N 3.48Å
251E89.7Confident86.7Confident93 Ų9378 Ų7844%0.43538%0.375SS..Hα-helixtrans-64.3-42.4175.7-68.5-177.5171.500111.7F218 K247 V248 L249 K254 H255F218-E251 HydrophobicContact CB-CB 3.88Å; F218-E251 VanDerWaalsContact CB-OE2 3.3Å; F218-E251 WeakPolarHBondContact CB-OE2 3.47Å; F218-E251 HydrophobicContact CD2-CB 4.48Å; F218-E251 HydrophobicContact CG-CB 4.23Å; K247-E251 PolarHBondContact O-N 2.8Å; V248-E251 WeakPolarHBondContact O-CB 3.34Å; V248-E251 PolarHBondContact O-N 2.78Å; V248-E251 VanDerWaalsContact O-N 3.09Å; L249-E251 VanDerWaalsContact C-N 3.33Å; L249-E251 PolarHBondContact O-N 3.4Å; E251-K254 PolarHBondContact O-N 3.12Å; E251-H255 PolarHBondContact O-N 2.9Å; E251-H255 VanDerWaalsContact O-N 3.13Å; E251-H255 PolarHBondContact O-ND1 3.47Å
252I90Very high86.6Confident0 Ų084.6 Ų84.60%041%0.406CS..Hα-helixtrans-60.4-49.2175.9-62.9163.8000110.6M105 F113 L214 F218 Y221 V248 L249 K254 H255 S256 I260M105-I252 HydrophobicContact CE-CG2 4.49Å; F113-I252 HydrophobicContact CE1-CD1 4.3Å; F113-I252 HydrophobicContact CZ-CD1 4.42Å; F113-I252 HydrophobicContact CZ-CG2 3.87Å; L214-I252 HydrophobicContact CD1-CD1 3.84Å; L214-I252 HydrophobicContact CD2-CD1 4.04Å; L214-I252 HydrophobicContact CG-CD1 4.34Å; F218-I252 HydrophobicContact CD2-CB 4.23Å; F218-I252 HydrophobicContact CD2-CG1 3.65Å; F218-I252 HydrophobicContact CE2-CB 4.42Å; F218-I252 HydrophobicContact CE2-CG1 4.2Å; Y221-I252 HydrophobicContact CD1-CB 4.46Å; Y221-I252 HydrophobicContact CD1-CD1 3.73Å; Y221-I252 HydrophobicContact CD1-CG1 3.6Å; Y221-I252 HydrophobicContact CD1-CG2 4.01Å; Y221-I252 HydrophobicContact CD2-CD1 3.69Å; Y221-I252 HydrophobicContact CD2-CG1 4.48Å; Y221-I252 HydrophobicContact CE1-CB 4.36Å; Y221-I252 HydrophobicContact CE1-CD1 3.98Å; Y221-I252 HydrophobicContact CE1-CG1 3.93Å; Y221-I252 HydrophobicContact CE1-CG2 3.47Å; Y221-I252 VanDerWaalsContact CE1-CG2 3.47Å; Y221-I252 HydrophobicContact CE2-CD1 3.96Å; Y221-I252 HydrophobicContact CG-CD1 3.56Å; Y221-I252 HydrophobicContact CG-CG1 3.88Å; V248-I252 HydrophobicContact CG1-CD1 4.03Å; V248-I252 HydrophobicContact CG1-CG1 4.37Å; V248-I252 WeakPolarHBondContact O-CG1 3.09Å; V248-I252 PolarHBondContact O-N 3.41Å; L249-I252 PolarHBondContact O-N 2.67Å; I252-K254 VanDerWaalsContact C-N 3.33Å; I252-K254 PolarHBondContact O-N 3.48Å; I252-H255 PolarHBondContact O-N 3.01Å; I252-S256 WeakPolarHBondContact O-CB 3.22Å; I252-S256 PolarHBondContact O-N 3.09Å; I252-I260 HydrophobicContact CG2-CD1 4.32Å
253V87.7Confident86.7Confident81 Ų8186.8 Ų86.849%0.49141%0.413SS..Hα-helixtrans-61.4-42.4179.5173.80000111.3L249 K250 H255 S256 I260L249-V253 HydrophobicContact CD1-CG2 4.47Å; L249-V253 VanDerWaalsContact O-CG2 3.25Å; L249-V253 WeakPolarHBondContact O-CG2 3.24Å; L249-V253 PolarHBondContact O-N 3.19Å; K250-V253 PolarHBondContact O-N 3.14Å; V253-H255 VanDerWaalsContact C-N 3.3Å; V253-H255 PolarHBondContact O-N 3.46Å; V253-S256 PolarHBondContact O-N 2.82Å; V253-I260 HydrophobicContact CB-CD1 4.11Å; V253-I260 HydrophobicContact CG2-CD1 3.61Å
254K86.4Confident86.8Confident168 Ų16889.8 Ų89.873%0.7344%0.435SS*.Hα-helixtrans-60.8-37.5178.9-178-176.7175.5-171.20112.7K250 E251 I252K250-K254 VanDerWaalsContact O-CB 3.29Å; K250-K254 WeakPolarHBondContact O-CB 3.44Å; K250-K254 PolarHBondContact O-N 3.48Å; E251-K254 PolarHBondContact O-N 3.12Å; I252-K254 VanDerWaalsContact C-N 3.33Å; I252-K254 PolarHBondContact O-N 3.48Å
255H82.9Confident87Confident80 Ų8083.5 Ų83.537%0.3741%0.406SS..Hα-helixtrans-97.23.2-178.1-60.396.2000113.2F218 E251 I252 V253F218-H255 HydrophobicContact CE1-CB 3.91Å; F218-H255 AromaticContact CE1-CG 3.84Å; F218-H255 AromaticContact CE1-ND1 3.88Å; F218-H255 HydrophobicContact CE2-CB 3.97Å; F218-H255 HydrophobicContact CZ-CB 3.39Å; F218-H255 AromaticContact CZ-CG 3.84Å; E251-H255 PolarHBondContact O-N 2.9Å; E251-H255 VanDerWaalsContact O-N 3.13Å; E251-H255 PolarHBondContact O-ND1 3.47Å; I252-H255 PolarHBondContact O-N 3.01Å; V253-H255 VanDerWaalsContact C-N 3.3Å; V253-H255 PolarHBondContact O-N 3.46Å
256S80Confident87.1Confident23 Ų2386.2 Ų86.216%0.16142%0.421CS..  trans-83.6118.7176.9-166.10000112.5M105 Q111 I252 V253 T258M105-S256 WeakPolarHBondContact CE-OG 3.29Å; Q111-S256 PolarHBondContact NE2-OG 3.49Å; I252-S256 WeakPolarHBondContact O-CB 3.22Å; I252-S256 PolarHBondContact O-N 3.09Å; V253-S256 PolarHBondContact O-N 2.82Å; S256-T258 PolarHBondContact OG-O 3.08Å
257K72.8Confident87.2Confident127 Ų12788.5 Ų88.555%0.55243%0.43SS*.  trans-82.4-22.6170.7-66.8-166.3168.4-170.30113.2E104 L107E104-K257 HydrophobicContact CB-CD 4.27Å; E104-K257 WeakPolarHBondContact OE1-CE 3.47Å; E104-K257 IonicContact OE1-NZ 2.62Å; E104-K257 PolarHBondContact OE1-NZ 2.98Å; E104-K257 WeakPolarHBondContact OE2-CD 3.34Å; E104-K257 WeakPolarHBondContact OE2-CE 3.37Å; E104-K257 IonicContact OE2-NZ 2.61Å; E104-K257 PolarHBondContact OE2-NZ 2.97Å; L107-K257 HydrophobicContact CD2-CB 4.47Å; L107-K257 HydrophobicContact CD2-CD 4.49Å
258T71.4Confident87.4Confident35 Ų3586.7 Ų86.722%0.21542%0.424CS..SBendtrans-96.8152.1178.358.90000111.1L107 L109 Q111 S256 I260L107-T258 VanDerWaalsContact O-CG2 3.28Å; L107-T258 WeakPolarHBondContact O-CG2 3.46Å; L109-T258 PolarHBondContact O-OG1 2.74Å; Q111-T258 PolarHBondContact NE2-OG1 3.09Å; S256-T258 PolarHBondContact OG-O 3.08Å; T258-I260 PolarHBondContact O-N 3.12Å; T258-I260 VanDerWaalsContact O-N 3.15Å
259A71.9Confident87.6Confident76 Ų7687.1 Ų87.163%0.62843%0.426SS*.PPolyproline II helixtrans-62.5117.4176.800000110
260I84.3Confident87.8Confident52 Ų5285.7 Ų85.727%0.26742%0.419SS..PPolyproline II helixtrans-78128.7171.7-71.9171.3000108.5Q111 F113 I252 V253 T258Q111-I260 HydrophobicContact CB-CG1 4.25Å; F113-I260 HydrophobicContact CD2-CG2 3.19Å; F113-I260 HydrophobicContact CE2-CB 4.26Å; F113-I260 HydrophobicContact CE2-CD1 4.02Å; F113-I260 HydrophobicContact CE2-CG1 4.04Å; F113-I260 HydrophobicContact CE2-CG2 3.26Å; F113-I260 HydrophobicContact CG-CG2 4.45Å; I252-I260 HydrophobicContact CG2-CD1 4.32Å; V253-I260 HydrophobicContact CB-CD1 4.11Å; V253-I260 HydrophobicContact CG2-CD1 3.61Å; T258-I260 PolarHBondContact O-N 3.12Å; T258-I260 VanDerWaalsContact O-N 3.15Å
261K89.9Confident88Confident113 Ų11380.4 Ų80.449%0.49140%0.398SS..EExtended strand (participates in β ladder)trans-103.2134.3176.7-64.2-174.5-177.4178.70110.8L110 Q111 E112 F113 R263L110-K261 HydrophobicContact CD1-CD 4.16Å; Q111-K261 PolarHBondContact O-N 3.03Å; E112-K261 CarbonylContact C-O 3.55Å; E112-K261 WeakPolarHBondContact CA-O 3.39Å; E112-K261 HydrophobicContact CG-CB 4.31Å; F113-K261 PolarHBondContact N-O 3.33Å; K261-R263 PolarHBondContact O-N 3.43Å
262Q92.8Very high88.4Confident144 Ų14481.5 Ų81.567%0.67340%0.403SS*.EExtended strand (participates in β ladder)trans-80117.5162.3-176.4178.9-20.300108.1F113F113-Q262 WeakPolarHBondContact O-CA 3.33Å
263R94.3Very high88.7Confident56 Ų5682.6 Ų82.621%0.21141%0.408CS..PPolyproline II helixtrans-89.5128.7172.5171.9-179.8-72.6-99-1.7108.9E112 F113 I114 K261 I265E112-R263 HydrophobicContact CB-CB 4.31Å; E112-R263 VanDerWaalsContact CD-NH2 3.32Å; E112-R263 IonicContact OE1-NH2 3.54Å; E112-R263 PolarHBondContact OE1-NH2 3.22Å; E112-R263 VanDerWaalsContact OE1-NH2 3.15Å; E112-R263 IonicContact OE2-CZ 3.12Å; E112-R263 IonicContact OE2-NE 2.66Å; E112-R263 PolarHBondContact OE2-NE 3.49Å; E112-R263 IonicContact OE2-NH2 2.91Å; E112-R263 PolarHBondContact OE2-NH2 3.48Å; F113-R263 PolarHBondContact O-N 2.95Å; I114-R263 HydrophobicContact CD1-CG 4.18Å; I114-R263 HydrophobicContact CG1-CB 3.86Å; I114-R263 HydrophobicContact CG1-CG 4Å; K261-R263 PolarHBondContact O-N 3.43Å; R263-I265 HydrophobicContact CG-CG1 4.43Å
264V93.1Very high89.2Confident118 Ų11882.2 Ų82.272%0.71540%0.397SS*.  trans-110.1128.4170.4-178.10000107.5
265I93.4Very high89.7Confident33 Ų3378.9 Ų78.917%0.16939%0.388CS..  trans-97.8135.2171.3-57.4-177.5000107.2I114 V127 A130 L131 R263 R267 V269 V270I114-I265 HydrophobicContact CD1-CD1 3.88Å; I114-I265 HydrophobicContact CD1-CG1 4.29Å; V127-I265 HydrophobicContact CB-CD1 4.48Å; V127-I265 HydrophobicContact CG1-CD1 3.84Å; V127-I265 HydrophobicContact CG2-CD1 4.47Å; A130-I265 HydrophobicContact CB-CD1 4.33Å; A130-I265 HydrophobicContact CB-CG2 4.36Å; L131-I265 HydrophobicContact CD2-CD1 3.85Å; L131-I265 HydrophobicContact CG-CD1 4.11Å; R263-I265 HydrophobicContact CG-CG1 4.43Å; I265-R267 PolarHBondContact O-N 2.92Å; I265-V269 HydrophobicContact CG2-CB 4.19Å; I265-V269 HydrophobicContact CG2-CG1 4.16Å; I265-V270 HydrophobicContact CB-CG2 3.97Å; I265-V270 HydrophobicContact CG2-CG2 3.64Å
266N94.1Very high90.4Very high83 Ų8377.7 Ų77.744%0.44438%0.384SS..  trans-57.1132.1176.9-176.8-19.1000109.8E268 V269 V270N266-E268 VanDerWaalsContact C-N 3.29Å; N266-E268 VanDerWaalsContact CG-OE2 3.23Å; N266-E268 PolarHBondContact ND2-OE2 2.94Å; N266-E268 PolarHBondContact O-N 3.49Å; N266-E268 VanDerWaalsContact OD1-CD 3.25Å; N266-E268 PolarHBondContact OD1-N 3.33Å; N266-E268 PolarHBondContact OD1-OE2 3.49Å; N266-V269 HydrophobicContact CB-CG2 4.09Å; N266-V269 WeakPolarHBondContact O-CB 3.37Å; N266-V269 PolarHBondContact O-N 2.8Å; N266-V270 PolarHBondContact O-N 3.38Å; N266-V270 VanDerWaalsContact O-N 3.09Å
267R92.2Very high91.2Very high186 Ų18677.1 Ų77.170%0.70238%0.379SS*.Hα-helixtrans-53.1-42.8177.7-177.2177177.4175.41.6112.5I265 V269 V270 D271I265-R267 PolarHBondContact O-N 2.92Å; R267-V269 PolarHBondContact O-N 3.47Å; R267-V270 PolarHBondContact O-N 3.31Å; R267-V270 VanDerWaalsContact O-N 3.12Å; R267-D271 WeakPolarHBondContact CG-OD2 3.43Å; R267-D271 IonicContact NE-OD2 2.61Å; R267-D271 WeakPolarHBondContact O-CB 3.13Å; R267-D271 PolarHBondContact O-N 2.89Å
268E95.7Very high92.4Very high136 Ų13675.6 Ų75.664%0.63638%0.381SS*.Hα-helixtrans-59.4-35.8178.5-66.5108.3-141.900112N266 H272N266-E268 VanDerWaalsContact C-N 3.29Å; N266-E268 VanDerWaalsContact CG-OE2 3.23Å; N266-E268 PolarHBondContact ND2-OE2 2.94Å; N266-E268 PolarHBondContact O-N 3.49Å; N266-E268 VanDerWaalsContact OD1-CD 3.25Å; N266-E268 PolarHBondContact OD1-N 3.33Å; N266-E268 PolarHBondContact OD1-OE2 3.49Å; E268-H272 WeakPolarHBondContact O-CB 3.4Å; E268-H272 PolarHBondContact O-N 3.08Å
269V95.8Very high93.6Very high24 Ų2479.6 Ų79.615%0.14540%0.401CS..Hα-helixtrans-70.4-44.4177.1178.60000110.6A130 I265 N266 R267 D271 H272 Y273A130-V269 HydrophobicContact CB-CG1 3.96Å; I265-V269 HydrophobicContact CG2-CB 4.19Å; I265-V269 HydrophobicContact CG2-CG1 4.16Å; N266-V269 HydrophobicContact CB-CG2 4.09Å; N266-V269 WeakPolarHBondContact O-CB 3.37Å; N266-V269 PolarHBondContact O-N 2.8Å; R267-V269 PolarHBondContact O-N 3.47Å; V269-D271 VanDerWaalsContact C-N 3.29Å; V269-D271 PolarHBondContact O-N 2.94Å; V269-H272 PolarHBondContact O-N 3.49Å; V269-Y273 HydrophobicContact CG1-CD2 3.9Å; V269-Y273 HydrophobicContact CG1-CE2 3.73Å; V269-Y273 WeakPolarHBondContact O-CD2 3.48Å; V269-Y273 PolarHBondContact O-N 2.88Å; V269-Y273 VanDerWaalsContact O-N 3.13Å
270V94.5Very high94.9Very high14 Ų1477 Ų779%0.08538%0.376CS..Hα-helixtrans-62.6-40176.7-1780000110.7S126 V127 I265 N266 R267 Y273 R274S126-V270 WeakPolarHBondContact OG-CG1 3.35Å; V127-V270 HydrophobicContact CG2-CG1 4.22Å; V127-V270 HydrophobicContact CG2-CG2 4.21Å; I265-V270 HydrophobicContact CB-CG2 3.97Å; I265-V270 HydrophobicContact CG2-CG2 3.64Å; N266-V270 PolarHBondContact O-N 3.38Å; N266-V270 VanDerWaalsContact O-N 3.09Å; R267-V270 PolarHBondContact O-N 3.31Å; R267-V270 VanDerWaalsContact O-N 3.12Å; V270-Y273 PolarHBondContact O-N 3.12Å; V270-R274 WeakPolarHBondContact O-CB 3.27Å; V270-R274 PolarHBondContact O-N 3.01Å
271D95.5Very high95.5Very high46 Ų4677.7 Ų77.725%0.24638%0.378CS..Hα-helixtrans-67.4-41.2179.4-65.3-5.5000111R267 V269 R274 N275R267-D271 WeakPolarHBondContact CG-OD2 3.43Å; R267-D271 IonicContact NE-OD2 2.61Å; R267-D271 WeakPolarHBondContact O-CB 3.13Å; R267-D271 PolarHBondContact O-N 2.89Å; V269-D271 VanDerWaalsContact C-N 3.29Å; V269-D271 PolarHBondContact O-N 2.94Å; D271-R274 WeakPolarHBondContact O-CB 3.42Å; D271-R274 PolarHBondContact O-N 2.9Å; D271-R274 IonicContact OD1-CZ 3.72Å; D271-R274 IonicContact OD1-NH1 3.5Å; D271-R274 PolarHBondContact OD1-NH1 3.45Å; D271-R274 IonicContact OD1-NH2 3.55Å; D271-R274 PolarHBondContact OD1-NH2 3.28Å; D271-N275 PolarHBondContact O-N 3.37Å
272H97.3Very high95.9Very high117 Ų11778.6 Ų78.654%0.54238%0.384SS..Hα-helixtrans-57-51.4172.7173.871.2000112.5E268 V269 R274 N275 L276E268-H272 WeakPolarHBondContact O-CB 3.4Å; E268-H272 PolarHBondContact O-N 3.08Å; V269-H272 PolarHBondContact O-N 3.49Å; H272-R274 VanDerWaalsContact C-N 3.3Å; H272-R274 PolarHBondContact O-N 3.27Å; H272-N275 PolarHBondContact O-N 3.07Å; H272-L276 PolarHBondContact O-N 2.88Å
273Y97.5Very high96.2Very high23 Ų2375.8 Ų75.89%0.0937%0.374CS..Hα-helixtrans-72.4-23.3178.1-71.1-69.6000113S126 L129 A130 K133 R134 V269 V270 L276 V277S126-Y273 WeakPolarHBondContact O-CB 3.46Å; L129-Y273 HydrophobicContact CB-CD1 3.74Å; L129-Y273 HydrophobicContact CB-CE1 4.38Å; L129-Y273 HydrophobicContact CB-CG 4.01Å; A130-Y273 VanDerWaalsContact CA-CE2 3.44Å; A130-Y273 HydrophobicContact CB-CD2 3.49Å; A130-Y273 VanDerWaalsContact CB-CD2 3.49Å; A130-Y273 HydrophobicContact CB-CE2 3.71Å; A130-Y273 HydrophobicContact CB-CG 4.39Å; K133-Y273 HydrophobicContact CB-CE1 4.2Å; K133-Y273 WeakPolarHBondContact CB-OH 3.4Å; K133-Y273 HydrophobicContact CG-CE1 4.15Å; R134-Y273 HydrophobicContact CG-CE2 4.31Å; R134-Y273 WeakPolarHBondContact CG-OH 3.41Å; V269-Y273 HydrophobicContact CG1-CD2 3.9Å; V269-Y273 HydrophobicContact CG1-CE2 3.73Å; V269-Y273 WeakPolarHBondContact O-CD2 3.48Å; V269-Y273 PolarHBondContact O-N 2.88Å; V269-Y273 VanDerWaalsContact O-N 3.13Å; V270-Y273 PolarHBondContact O-N 3.12Å; Y273-L276 HydrophobicContact CD1-CD2 4.11Å; Y273-L276 PolarHBondContact O-N 2.91Å; Y273-V277 WeakPolarHBondContact O-CG2 3.2Å; Y273-V277 PolarHBondContact O-N 3.39Å
274R96.5Very high96.4Very high72 Ų7273.1 Ų73.127%0.27236%0.364SS..Hα-helixtrans-65.2-44.1172-171.1-176.9-55.4101.93.1110.6S123 V270 D271 H272 L276 V277 V278S123-R274 PolarHBondContact OG-NE 3.24Å; S123-R274 PolarHBondContact OG-NH2 3.19Å; S123-R274 VanDerWaalsContact OG-NH2 3.12Å; V270-R274 WeakPolarHBondContact O-CB 3.27Å; V270-R274 PolarHBondContact O-N 3.01Å; D271-R274 WeakPolarHBondContact O-CB 3.42Å; D271-R274 PolarHBondContact O-N 2.9Å; D271-R274 IonicContact OD1-CZ 3.72Å; D271-R274 IonicContact OD1-NH1 3.5Å; D271-R274 PolarHBondContact OD1-NH1 3.45Å; D271-R274 IonicContact OD1-NH2 3.55Å; D271-R274 PolarHBondContact OD1-NH2 3.28Å; H272-R274 VanDerWaalsContact C-N 3.3Å; H272-R274 PolarHBondContact O-N 3.27Å; R274-L276 VanDerWaalsContact C-N 3.3Å; R274-L276 PolarHBondContact O-N 3.43Å; R274-V277 PolarHBondContact O-N 2.91Å; R274-V278 WeakPolarHBondContact O-CG2 3.29Å; R274-V278 PolarHBondContact O-N 3.04Å
275N97.5Very high96.6Very high99 Ų9972.4 Ų72.453%0.52935%0.351SS..Hα-helixtrans-60.6-43.4175.6-64.8-11.9000110.6D271 H272 V277 V278 D279D271-N275 PolarHBondContact O-N 3.37Å; H272-N275 PolarHBondContact O-N 3.07Å; N275-V277 VanDerWaalsContact C-N 3.34Å; N275-V277 PolarHBondContact O-N 2.71Å; N275-V278 WeakPolarHBondContact O-CB 3.03Å; N275-V278 PolarHBondContact O-N 3.34Å; N275-V278 VanDerWaalsContact O-N 3.13Å; N275-D279 PolarHBondContact O-N 3.15Å
276L97.5Very high96.9Very high54 Ų5476.2 Ų76.228%0.28337%0.368SS..Hα-helixtrans-59.1-41.5174.9-178.462.8000113A160 H272 Y273 R274 V278 D279 L280A160-L276 HydrophobicContact CB-CD2 4.42Å; H272-L276 PolarHBondContact O-N 2.88Å; Y273-L276 HydrophobicContact CD1-CD2 4.11Å; Y273-L276 PolarHBondContact O-N 2.91Å; R274-L276 VanDerWaalsContact C-N 3.3Å; R274-L276 PolarHBondContact O-N 3.43Å; L276-V278 VanDerWaalsContact C-N 3.35Å; L276-D279 PolarHBondContact O-N 3.08Å; L276-L280 HydrophobicContact CD1-CD1 4.01Å; L276-L280 HydrophobicContact CD1-CG 4.24Å; L276-L280 HydrophobicContact CG-CD1 4.08Å; L276-L280 WeakPolarHBondContact O-CB 3.31Å; L276-L280 VanDerWaalsContact O-CG 3.3Å; L276-L280 WeakPolarHBondContact O-CG 3.48Å; L276-L280 PolarHBondContact O-N 3.04Å; L276-L280 VanDerWaalsContact O-N 3.12Å
277V97.4Very high97.1Very high12 Ų1274 Ų747%0.07336%0.357CS..Hα-helixtrans-62.8-43.6175.6171.60000110.8E125 L129 L156 Y273 R274 N275 L280 E281E125-V277 HydrophobicContact CB-CG1 4.39Å; E125-V277 HydrophobicContact CB-CG2 4.09Å; E125-V277 WeakPolarHBondContact OE2-CG1 3.37Å; L129-V277 HydrophobicContact CD1-CG2 3.48Å; L129-V277 VanDerWaalsContact CD1-CG2 3.48Å; L156-V277 HydrophobicContact CD1-CG2 4.42Å; L156-V277 HydrophobicContact CD2-CG1 4.45Å; L156-V277 HydrophobicContact CD2-CG2 4.28Å; Y273-V277 WeakPolarHBondContact O-CG2 3.2Å; Y273-V277 PolarHBondContact O-N 3.39Å; R274-V277 PolarHBondContact O-N 2.91Å; N275-V277 VanDerWaalsContact C-N 3.34Å; N275-V277 PolarHBondContact O-N 2.71Å; V277-L280 PolarHBondContact O-N 2.93Å; V277-E281 PolarHBondContact O-N 3.24Å; V277-E281 VanDerWaalsContact O-N 3.12Å
278V97.4Very high97.3Very high95 Ų9567.7 Ų67.758%0.57634%0.336SS*.Hα-helixtrans-62.4-43.2177.6171.40000111.2R274 N275 L276 L280 E281R274-V278 WeakPolarHBondContact O-CG2 3.29Å; R274-V278 PolarHBondContact O-N 3.04Å; N275-V278 WeakPolarHBondContact O-CB 3.03Å; N275-V278 PolarHBondContact O-N 3.34Å; N275-V278 VanDerWaalsContact O-N 3.13Å; L276-V278 VanDerWaalsContact C-N 3.35Å; V278-L280 VanDerWaalsContact C-N 3.25Å; V278-L280 PolarHBondContact O-N 3.27Å; V278-E281 WeakPolarHBondContact O-CB 3.47Å; V278-E281 PolarHBondContact O-N 3.26Å
279D98.1Very high97.4Very high119 Ų11965 Ų6564%0.63632%0.324SS*.Hα-helixtrans-64.1-31.9179.6-65.5-20.8000112N275 L276N275-D279 PolarHBondContact O-N 3.15Å; L276-D279 PolarHBondContact O-N 3.08Å
280L98Very high97.5Very high22 Ų2268.2 Ų68.212%0.11534%0.337CS..THydrogen-bonded Turntrans-90-4.6179.2-66.1176.2000113.9L156 L159 A160 L276 V277 V278 E282 D283 V284L156-L280 HydrophobicContact CD1-CB 4.1Å; L156-L280 HydrophobicContact CD1-CD1 4.16Å; L159-L280 HydrophobicContact CB-CD1 4.22Å; L159-L280 HydrophobicContact CB-CD2 4.19Å; A160-L280 HydrophobicContact CB-CD1 4.12Å; L276-L280 HydrophobicContact CD1-CD1 4.01Å; L276-L280 HydrophobicContact CD1-CG 4.24Å; L276-L280 HydrophobicContact CG-CD1 4.08Å; L276-L280 WeakPolarHBondContact O-CB 3.31Å; L276-L280 VanDerWaalsContact O-CG 3.3Å; L276-L280 WeakPolarHBondContact O-CG 3.48Å; L276-L280 PolarHBondContact O-N 3.04Å; L276-L280 VanDerWaalsContact O-N 3.12Å; V277-L280 PolarHBondContact O-N 2.93Å; V278-L280 VanDerWaalsContact C-N 3.25Å; V278-L280 PolarHBondContact O-N 3.27Å; L280-E282 PolarHBondContact O-N 3.1Å; L280-D283 PolarHBondContact O-N 2.74Å; L280-V284 VanDerWaalsContact O-CG2 3.29Å; L280-V284 WeakPolarHBondContact O-CG2 3.2Å; L280-V284 PolarHBondContact O-N 3.43Å
281E97.7Very high97.5Very high65 Ų6569.4 Ų69.430%0.30434%0.342SS..Hα-helixtrans-62.6-43.8-169.6-173.562.1-146.600112.5R152 V277 V278 V284 K285R152-E281 IonicContact CZ-OE1 2.76Å; R152-E281 IonicContact CZ-OE2 2.72Å; R152-E281 IonicContact NH1-OE1 3.59Å; R152-E281 PolarHBondContact NH1-OE1 3.29Å; R152-E281 IonicContact NH1-OE2 2.67Å; R152-E281 IonicContact NH2-OE1 3.41Å; R152-E281 PolarHBondContact NH2-OE1 2.92Å; R152-E281 IonicContact NH2-OE2 3.55Å; R152-E281 PolarHBondContact NH2-OE2 3.4Å; V277-E281 PolarHBondContact O-N 3.24Å; V277-E281 VanDerWaalsContact O-N 3.12Å; V278-E281 WeakPolarHBondContact O-CB 3.47Å; V278-E281 PolarHBondContact O-N 3.26Å; E281-V284 PolarHBondContact O-N 2.91Å; E281-K285 WeakPolarHBondContact O-CB 3.47Å; E281-K285 PolarHBondContact O-N 3.49Å
282E98.1Very high97.3Very high133 Ų13372.4 Ų72.462%0.62135%0.354SS*.Hα-helixtrans-67.2-37.5178.4-67.6-59.7132.300111.8L280 K285 H286L280-E282 PolarHBondContact O-N 3.1Å; E282-K285 PolarHBondContact O-N 2.99Å; E282-H286 WeakPolarHBondContact O-CB 3.31Å; E282-H286 PolarHBondContact O-N 3.4Å
283D98.6Very high97.2Very high85 Ų8572.2 Ų72.246%0.45535%0.352SS..Hα-helixtrans-66.5-43.4175.8-66.1-32.7000111.2L159 L280 K285 H286 V287L159-D283 HydrophobicContact CD1-CB 3.81Å; L280-D283 PolarHBondContact O-N 2.74Å; D283-K285 VanDerWaalsContact C-N 3.3Å; D283-K285 PolarHBondContact O-N 3.25Å; D283-H286 PolarHBondContact O-N 3.3Å; D283-V287 VanDerWaalsContact O-CG2 3.3Å; D283-V287 WeakPolarHBondContact O-CG2 3.37Å; D283-V287 PolarHBondContact O-N 3.33Å
284V98.4Very high97Very high0 Ų076.7 Ų76.70%037%0.374CS..Hα-helixtrans-58.6-45.7175.2170.60000110.3R152 I155 L156 L159 L280 E281 M288R152-V284 HydrophobicContact CG-CG1 4.1Å; I155-V284 HydrophobicContact CG2-CB 4.35Å; I155-V284 HydrophobicContact CG2-CG1 4.27Å; I155-V284 HydrophobicContact CG2-CG2 4.19Å; L156-V284 HydrophobicContact CB-CG2 3.91Å; L156-V284 HydrophobicContact CD1-CG2 3.88Å; L159-V284 HydrophobicContact CD1-CG2 3.79Å; L280-V284 VanDerWaalsContact O-CG2 3.29Å; L280-V284 WeakPolarHBondContact O-CG2 3.2Å; L280-V284 PolarHBondContact O-N 3.43Å; E281-V284 PolarHBondContact O-N 2.91Å; V284-M288 HydrophobicContact CG1-SD 4.5Å; V284-M288 WeakPolarHBondContact O-CB 3.21Å; V284-M288 WeakPolarHBondContact O-CG 3.42Å; V284-M288 PolarHBondContact O-N 3.23Å
285K98.2Very high96.6Very high102 Ų10277.2 Ų77.244%0.44338%0.376SS..Hα-helixtrans-63.4-45.8178.4-176.3-177.3170.9-166.10111.6E281 E282 D283 V287 M288 E289E281-K285 WeakPolarHBondContact O-CB 3.47Å; E281-K285 PolarHBondContact O-N 3.49Å; E282-K285 PolarHBondContact O-N 2.99Å; D283-K285 VanDerWaalsContact C-N 3.3Å; D283-K285 PolarHBondContact O-N 3.25Å; K285-V287 PolarHBondContact O-N 3.03Å; K285-M288 PolarHBondContact O-N 3.08Å; K285-E289 WeakPolarHBondContact CE-OE1 3.38Å; K285-E289 WeakPolarHBondContact O-CG 3.47Å; K285-E289 PolarHBondContact O-N 3.13Å
286H98.5Very high96.3Very high114 Ų11478.1 Ų78.153%0.52838%0.377SS..Hα-helixtrans-58-49.9177.3-178.3-79.9000111.5E282 D283 M288 E289 E290E282-H286 WeakPolarHBondContact O-CB 3.31Å; E282-H286 PolarHBondContact O-N 3.4Å; D283-H286 PolarHBondContact O-N 3.3Å; H286-M288 VanDerWaalsContact C-N 3.33Å; H286-M288 PolarHBondContact O-N 2.81Å; H286-E289 PolarHBondContact O-N 3.24Å; H286-E290 IonicContact CE1-OE2 3.65Å; H286-E290 PolarHBondContact CE1-OE2 3.38Å; H286-E290 IonicContact ND1-OE2 2.78Å; H286-E290 WeakPolarHBondContact O-CB 3.5Å; H286-E290 PolarHBondContact O-N 2.64Å
287V98.3Very high96.1Very high37 Ų3780 Ų8022%0.22439%0.386CS..Hα-helixtrans-62.5-40.8178.9175.80000111.2I155 D283 K285 E289 E290 E291I155-V287 HydrophobicContact CD1-CB 4.44Å; I155-V287 HydrophobicContact CD1-CG1 3.85Å; I155-V287 HydrophobicContact CG1-CG1 3.95Å; I155-V287 HydrophobicContact CG2-CB 3.83Å; I155-V287 HydrophobicContact CG2-CG1 3.79Å; I155-V287 HydrophobicContact CG2-CG2 4.37Å; D283-V287 VanDerWaalsContact O-CG2 3.3Å; D283-V287 WeakPolarHBondContact O-CG2 3.37Å; D283-V287 PolarHBondContact O-N 3.33Å; K285-V287 PolarHBondContact O-N 3.03Å; V287-E289 PolarHBondContact O-N 3.45Å; V287-E290 PolarHBondContact O-N 2.96Å; V287-E291 HydrophobicContact CG1-CG 4.31Å; V287-E291 WeakPolarHBondContact O-CB 3.42Å; V287-E291 WeakPolarHBondContact O-CG 3.33Å; V287-E291 PolarHBondContact O-N 3.46Å
288M96.8Very high95.6Very high53 Ų5382 Ų8226%0.26140%0.403SS..Hα-helixtrans-60.9-44.4175.6-83.2-16650.100112.7R152 I155 V284 K285 H286 E292R152-M288 HydrophobicContact CB-SD 4.06Å; R152-M288 HydrophobicContact CG-SD 4.36Å; I155-M288 HydrophobicContact CD1-CB 4.45Å; I155-M288 HydrophobicContact CD1-CG 3.48Å; I155-M288 VanDerWaalsContact CD1-CG 3.48Å; V284-M288 HydrophobicContact CG1-SD 4.5Å; V284-M288 WeakPolarHBondContact O-CB 3.21Å; V284-M288 WeakPolarHBondContact O-CG 3.42Å; V284-M288 PolarHBondContact O-N 3.23Å; K285-M288 PolarHBondContact O-N 3.08Å; H286-M288 VanDerWaalsContact C-N 3.33Å; H286-M288 PolarHBondContact O-N 2.81Å; M288-E292 WeakPolarHBondContact O-CB 3.5Å; M288-E292 PolarHBondContact O-N 3.42Å
289E97.5Very high95.1Very high80 Ų8081.6 Ų81.637%0.37440%0.397SS..Hα-helixtrans-67.3-38.6178.1-72.1178.9-168.300112.1K285 H286 V287 E292 K293K285-E289 WeakPolarHBondContact CE-OE1 3.38Å; K285-E289 WeakPolarHBondContact O-CG 3.47Å; K285-E289 PolarHBondContact O-N 3.13Å; H286-E289 PolarHBondContact O-N 3.24Å; V287-E289 PolarHBondContact O-N 3.45Å; E289-E292 PolarHBondContact O-N 2.98Å; E289-K293 VanDerWaalsContact O-CG 3.29Å; E289-K293 WeakPolarHBondContact O-CG 3.32Å; E289-K293 PolarHBondContact O-N 3.21Å
290E97.3Very high94.7Very high91 Ų9178.6 Ų78.643%0.42539%0.389SS..Hα-helixtrans-63.8-51.7175.9-172.3172.3-16800111.1H286 V287 E292 K293 E294H286-E290 IonicContact CE1-OE2 3.65Å; H286-E290 PolarHBondContact CE1-OE2 3.38Å; H286-E290 IonicContact ND1-OE2 2.78Å; H286-E290 WeakPolarHBondContact O-CB 3.5Å; H286-E290 PolarHBondContact O-N 2.64Å; V287-E290 PolarHBondContact O-N 2.96Å; E290-E292 PolarHBondContact O-N 3.48Å; E290-K293 PolarHBondContact O-N 3.34Å; E290-E294 WeakPolarHBondContact O-CG 3.4Å; E290-E294 PolarHBondContact O-N 3.23Å
291E94.8Very high94.4Very high39 Ų3983.7 Ų83.718%0.18241%0.412CS..Hα-helixtrans-63.9-27.1177.5-71.6-158.8-156.400112.9H151 R154 V287 R295H151-E291 IonicContact CE1-OE2 3.15Å; H151-E291 PolarHBondContact CE1-OE2 2.83Å; H151-E291 IonicContact NE2-OE2 2.7Å; H151-E291 PolarHBondContact NE2-OE2 2.69Å; H151-E291 VanDerWaalsContact NE2-OE2 3.12Å; R154-E291 IonicContact CZ-OE1 3.78Å; R154-E291 VanDerWaalsContact CZ-OE1 3.29Å; R154-E291 IonicContact CZ-OE2 3.14Å; R154-E291 IonicContact NH1-OE1 3.32Å; R154-E291 PolarHBondContact NH1-OE1 3.11Å; R154-E291 IonicContact NH2-OE1 2.8Å; R154-E291 PolarHBondContact NH2-OE1 3.16Å; R154-E291 IonicContact NH2-OE2 2.84Å; R154-E291 PolarHBondContact NH2-OE2 3.46Å; R154-E291 VanDerWaalsContact NH2-OE2 3.08Å; V287-E291 HydrophobicContact CG1-CG 4.31Å; V287-E291 WeakPolarHBondContact O-CB 3.42Å; V287-E291 WeakPolarHBondContact O-CG 3.33Å; V287-E291 PolarHBondContact O-N 3.46Å; E291-R295 WeakPolarHBondContact O-CB 3.35Å; E291-R295 PolarHBondContact O-N 2.85Å
292E92.1Very high93.7Very high108 Ų10885 Ų8551%0.50542%0.421SS..Hα-helixtrans-71.2-49.3172.4-175.4161.8-140.500111.8M288 E289 E290 R295 E296M288-E292 WeakPolarHBondContact O-CB 3.5Å; M288-E292 PolarHBondContact O-N 3.42Å; E289-E292 PolarHBondContact O-N 2.98Å; E290-E292 PolarHBondContact O-N 3.48Å; E292-R295 WeakPolarHBondContact O-CB 3.42Å; E292-R295 PolarHBondContact O-N 3.21Å; E292-R295 VanDerWaalsContact O-N 3.13Å; E292-E296 WeakPolarHBondContact O-CG 3.45Å; E292-E296 PolarHBondContact O-N 3.49Å
293K95Very high93Very high114 Ų11484.7 Ų84.750%0.49642%0.42SS..Hα-helixtrans-61.3-44.8177.4-71.9166.1-171.5160.10112.1E289 E290 R295 E296 I297E289-K293 VanDerWaalsContact O-CG 3.29Å; E289-K293 WeakPolarHBondContact O-CG 3.32Å; E289-K293 PolarHBondContact O-N 3.21Å; E290-K293 PolarHBondContact O-N 3.34Å; K293-R295 PolarHBondContact O-N 2.91Å; K293-E296 PolarHBondContact O-N 2.84Å; K293-E296 VanDerWaalsContact O-N 3.16Å; K293-I297 VanDerWaalsContact O-CG1 3.28Å; K293-I297 WeakPolarHBondContact O-CG1 3.29Å; K293-I297 PolarHBondContact O-N 3.04Å
294E93.8Very high92.4Very high117 Ų11783.1 Ų83.155%0.54742%0.418SS..Hα-helixtrans-56.5-39.8175.2-75.1-174.2165.300111.4E290 A298E290-E294 WeakPolarHBondContact O-CG 3.4Å; E290-E294 PolarHBondContact O-N 3.23Å; E294-A298 WeakPolarHBondContact O-CB 3.37Å; E294-A298 PolarHBondContact O-N 3.37Å
295R87.9Confident91.6Very high83 Ų8388.9 Ų88.931%0.31344%0.444SS..Hα-helixtrans-70.5-39.7178.4-167.6-177.7-68.3124.50.6112.2K170 E291 E292 K293 A298 I299K170-R295 VanDerWaalsContact NZ-CD 3.29Å; E291-R295 WeakPolarHBondContact O-CB 3.35Å; E291-R295 PolarHBondContact O-N 2.85Å; E292-R295 WeakPolarHBondContact O-CB 3.42Å; E292-R295 PolarHBondContact O-N 3.21Å; E292-R295 VanDerWaalsContact O-N 3.13Å; K293-R295 PolarHBondContact O-N 2.91Å; R295-A298 PolarHBondContact O-N 2.72Å; R295-I299 HydrophobicContact CG-CD1 4.33Å; R295-I299 VanDerWaalsContact O-CG1 3.27Å; R295-I299 WeakPolarHBondContact O-CG1 3.44Å; R295-I299 PolarHBondContact O-N 2.96Å
296E91Very high90.4Very high118 Ų11887.8 Ų87.855%0.55144%0.441SS*.Hα-helixtrans-62-44.9174.2-71.9-178.8169.300111.4E292 K293 I299 A300E292-E296 WeakPolarHBondContact O-CG 3.45Å; E292-E296 PolarHBondContact O-N 3.49Å; K293-E296 PolarHBondContact O-N 2.84Å; K293-E296 VanDerWaalsContact O-N 3.16Å; E296-I299 PolarHBondContact O-N 3.26Å; E296-A300 WeakPolarHBondContact O-CB 3.35Å; E296-A300 PolarHBondContact O-N 2.94Å
297I93.2Very high89.5Confident94 Ų9484.6 Ų84.648%0.48243%0.434SS..Hα-helixtrans-60-48.4175.1-66.7165000110K293 I299 A300 E301K293-I297 VanDerWaalsContact O-CG1 3.28Å; K293-I297 WeakPolarHBondContact O-CG1 3.29Å; K293-I297 PolarHBondContact O-N 3.04Å; I297-I299 VanDerWaalsContact C-N 3.28Å; I297-I299 PolarHBondContact O-N 3.46Å; I297-A300 PolarHBondContact O-N 3.16Å; I297-A300 VanDerWaalsContact O-N 3.13Å; I297-E301 HydrophobicContact CG2-CG 4.16Å; I297-E301 WeakPolarHBondContact O-CB 3.39Å; I297-E301 WeakPolarHBondContact O-CG 3.35Å; I297-E301 PolarHBondContact O-N 3.12Å
298A87.9Confident88.8Confident52 Ų5288.4 Ų88.443%0.4345%0.452SS..Hα-helixtrans-61-35.8179.300000112.9E294 R295 N302E294-A298 WeakPolarHBondContact O-CB 3.37Å; E294-A298 PolarHBondContact O-N 3.37Å; R295-A298 PolarHBondContact O-N 2.72Å; A298-N302 VanDerWaalsContact O-CB 3.31Å; A298-N302 WeakPolarHBondContact O-CB 3.48Å; A298-N302 PolarHBondContact O-N 3.02Å; A298-N302 VanDerWaalsContact O-N 3.11Å
299I85.6Confident87.8Confident88 Ų8890.1 Ų90.145%0.45146%0.46SS..Hα-helixtrans-67.3-48.9173.8-68.7165.2000110R295 E296 I297 E301 N302 E303R295-I299 HydrophobicContact CG-CD1 4.33Å; R295-I299 VanDerWaalsContact O-CG1 3.27Å; R295-I299 WeakPolarHBondContact O-CG1 3.44Å; R295-I299 PolarHBondContact O-N 2.96Å; E296-I299 PolarHBondContact O-N 3.26Å; I297-I299 VanDerWaalsContact C-N 3.28Å; I297-I299 PolarHBondContact O-N 3.46Å; I299-E301 PolarHBondContact O-N 3.01Å; I299-N302 PolarHBondContact O-N 3.33Å; I299-E303 HydrophobicContact CG2-CG 4.43Å; I299-E303 WeakPolarHBondContact O-CG 3.27Å; I299-E303 PolarHBondContact O-N 2.92Å
300A90.8Very high86.6Confident55 Ų5593.6 Ų93.646%0.45547%0.47SS..Hα-helixtrans-61.4-41.218000000112.4E296 I297 E303 A304E296-A300 WeakPolarHBondContact O-CB 3.35Å; E296-A300 PolarHBondContact O-N 2.94Å; I297-A300 PolarHBondContact O-N 3.16Å; I297-A300 VanDerWaalsContact O-N 3.13Å; A300-E303 PolarHBondContact O-N 3.3Å; A300-A304 VanDerWaalsContact O-CB 3.3Å; A300-A304 WeakPolarHBondContact O-CB 3.46Å; A300-A304 PolarHBondContact O-N 3.42Å
301E90Very high85.5Confident129 Ų12996.3 Ų96.360%0.60349%0.486SS*.Hα-helixtrans-62.7-43174.6-75.3-178169.200111.8I297 I299 A304 K305I297-E301 HydrophobicContact CG2-CG 4.16Å; I297-E301 WeakPolarHBondContact O-CB 3.39Å; I297-E301 WeakPolarHBondContact O-CG 3.35Å; I297-E301 PolarHBondContact O-N 3.12Å; I299-E301 PolarHBondContact O-N 3.01Å; E301-A304 PolarHBondContact O-N 3.4Å; E301-K305 VanDerWaalsContact O-CB 3.27Å; E301-K305 WeakPolarHBondContact O-CB 3.3Å; E301-K305 PolarHBondContact O-N 3.13Å
302N83.9Confident84.4Confident92 Ų9298 Ų9849%0.49250%0.503SS..Hα-helixtrans-67.7-39.4178.4-165.229.5000111.5A298 I299 K305 M306A298-N302 VanDerWaalsContact O-CB 3.31Å; A298-N302 WeakPolarHBondContact O-CB 3.48Å; A298-N302 PolarHBondContact O-N 3.02Å; A298-N302 VanDerWaalsContact O-N 3.11Å; I299-N302 PolarHBondContact O-N 3.33Å; N302-K305 PolarHBondContact O-N 3.28Å; N302-M306 WeakPolarHBondContact O-CB 3.42Å; N302-M306 VanDerWaalsContact O-CG 3.29Å; N302-M306 WeakPolarHBondContact O-CG 3.38Å; N302-M306 PolarHBondContact O-N 3.13Å
303E83.4Confident82.8Confident127 Ų12794.8 Ų94.859%0.59350%0.499SS*.Hα-helixtrans-64.1-45.1173.8-73.9-177.6175.600112I299 A300 K305 M306 A307I299-E303 HydrophobicContact CG2-CG 4.43Å; I299-E303 WeakPolarHBondContact O-CG 3.27Å; I299-E303 PolarHBondContact O-N 2.92Å; A300-E303 PolarHBondContact O-N 3.3Å; E303-K305 VanDerWaalsContact C-N 3.34Å; E303-K305 PolarHBondContact O-N 3.28Å; E303-M306 PolarHBondContact O-N 2.8Å; E303-A307 WeakPolarHBondContact O-CB 3.35Å; E303-A307 PolarHBondContact O-N 3.19Å
304A85.9Confident80.6Confident52 Ų5297.9 Ų97.943%0.4351%0.512SS..Hα-helixtrans-61.4-42.9175.400000111.5A300 E301 A307 L308A300-A304 VanDerWaalsContact O-CB 3.3Å; A300-A304 WeakPolarHBondContact O-CB 3.46Å; A300-A304 PolarHBondContact O-N 3.42Å; E301-A304 PolarHBondContact O-N 3.4Å; A304-A307 PolarHBondContact O-N 3.44Å; A304-L308 WeakPolarHBondContact O-CG 3.37Å; A304-L308 PolarHBondContact O-N 2.88Å
305K82.5Confident78.4Confident122 Ų12297.2 Ų97.253%0.5351%0.509SS..Hα-helixtrans-60.2-46.9174.5-177.7-178175.3-176.50111.5E301 N302 E303 A307 L308 E309E301-K305 VanDerWaalsContact O-CB 3.27Å; E301-K305 WeakPolarHBondContact O-CB 3.3Å; E301-K305 PolarHBondContact O-N 3.13Å; N302-K305 PolarHBondContact O-N 3.28Å; E303-K305 VanDerWaalsContact C-N 3.34Å; E303-K305 PolarHBondContact O-N 3.28Å; K305-A307 VanDerWaalsContact C-N 3.32Å; K305-A307 PolarHBondContact O-N 3.48Å; K305-L308 PolarHBondContact O-N 3.44Å; K305-E309 WeakPolarHBondContact CE-OE1 3.41Å; K305-E309 WeakPolarHBondContact O-CG 3.38Å; K305-E309 PolarHBondContact O-N 2.86Å
306M72.7Confident76.2Confident79 Ų79100.1 Ų100.139%0.38953%0.53SS..Hα-helixtrans-62.4-38.1176.7-73.9-17768.500112.2N302 E303 E309 R310N302-M306 WeakPolarHBondContact O-CB 3.42Å; N302-M306 VanDerWaalsContact O-CG 3.29Å; N302-M306 WeakPolarHBondContact O-CG 3.38Å; N302-M306 PolarHBondContact O-N 3.13Å; E303-M306 PolarHBondContact O-N 2.8Å; M306-E309 PolarHBondContact O-N 2.88Å; M306-R310 VanDerWaalsContact O-CG 3.31Å; M306-R310 WeakPolarHBondContact O-CG 3.5Å; M306-R310 PolarHBondContact O-N 2.91Å; M306-R310 VanDerWaalsContact O-N 3.1Å
307A80Confident73.9Confident46 Ų46103.3 Ų103.338%0.3855%0.545SS..Hα-helixtrans-65.6-42.5175.800000111.9E303 A304 K305 R310 L311E303-A307 WeakPolarHBondContact O-CB 3.35Å; E303-A307 PolarHBondContact O-N 3.19Å; A304-A307 PolarHBondContact O-N 3.44Å; K305-A307 VanDerWaalsContact C-N 3.32Å; K305-A307 PolarHBondContact O-N 3.48Å; A307-R310 PolarHBondContact O-N 3.11Å; A307-L311 WeakPolarHBondContact O-CG 3.42Å; A307-L311 PolarHBondContact O-N 2.93Å
308L81.7Confident71.6Confident117 Ų117104.3 Ų104.361%0.61355%0.552SS**Hα-helixtrans-63.6-42.4174.9-72.8169.7000112.1A304 K305 R310 L311 S312A304-L308 WeakPolarHBondContact O-CG 3.37Å; A304-L308 PolarHBondContact O-N 2.88Å; K305-L308 PolarHBondContact O-N 3.44Å; L308-R310 VanDerWaalsContact C-N 3.29Å; L308-R310 PolarHBondContact O-N 2.85Å; L308-L311 PolarHBondContact O-N 3.38Å; L308-S312 WeakPolarHBondContact O-CB 3.38Å; L308-S312 PolarHBondContact O-N 3.27Å; L308-S312 PolarHBondContact O-OG 3.16Å
309E76.6Confident69.5Low90 Ų90109.4 Ų109.442%0.42157%0.567SS.*Hα-helixtrans-63.1-34.3176.7-74.8176.2177.700112.7K305 M306 S312K305-E309 WeakPolarHBondContact CE-OE1 3.41Å; K305-E309 WeakPolarHBondContact O-CG 3.38Å; K305-E309 PolarHBondContact O-N 2.86Å; M306-E309 PolarHBondContact O-N 2.88Å; E309-S312 PolarHBondContact O-OG 3.41Å
310R72.1Confident67.5Low152 Ų152113.1 Ų113.157%0.57459%0.588SS**Hα-helixtrans-68.6-44.7173.2-73.5173.8-177.6167.53.4111.8M306 A307 L308M306-R310 VanDerWaalsContact O-CG 3.31Å; M306-R310 WeakPolarHBondContact O-CG 3.5Å; M306-R310 PolarHBondContact O-N 2.91Å; M306-R310 VanDerWaalsContact O-N 3.1Å; A307-R310 PolarHBondContact O-N 3.11Å; L308-R310 VanDerWaalsContact C-N 3.29Å; L308-R310 PolarHBondContact O-N 2.85Å
311L74.7Confident65.3Low148 Ų148114.4 Ų114.478%0.77559%0.587SS**Hα-helixtrans-67.7-34.4178.2-71.8171.1000112.5A307 L308 G313A307-L311 WeakPolarHBondContact O-CG 3.42Å; A307-L311 PolarHBondContact O-N 2.93Å; L308-L311 PolarHBondContact O-N 3.38Å; L311-G313 PolarHBondContact O-N 2.86Å
312S70.8Confident63.2Low75 Ų75116.4 Ų116.452%0.52460%0.596SS.*THydrogen-bonded Turntrans-7415-179.275.60000114L308 E309 K314L308-S312 WeakPolarHBondContact O-CB 3.38Å; L308-S312 PolarHBondContact O-N 3.27Å; L308-S312 PolarHBondContact O-OG 3.16Å; E309-S312 PolarHBondContact O-OG 3.41Å; S312-K314 PolarHBondContact O-N 3.35Å; S312-K314 VanDerWaalsContact O-N 3.08Å
313G58.3Low61.6Low41 Ų41122.1 Ų122.142%0.42361%0.61SS.*THydrogen-bonded Turntrans68.49172.400000115.5L311 Q315 N316L311-G313 PolarHBondContact O-N 2.86Å; G313-Q315 PolarHBondContact O-N 2.76Å; G313-N316 PolarHBondContact O-N 3.46Å
314K50.9Low60.2Low179 Ų179125.3 Ų125.378%0.77862%0.622SS**THydrogen-bonded Turntrans-70.72.5176.4-82.8-173.6177177.30113.5S312S312-K314 PolarHBondContact O-N 3.35Å; S312-K314 VanDerWaalsContact O-N 3.08Å
315Q46.3Very low58.6Low103 Ų103126.8 Ų126.848%0.48163%0.63SS.*THydrogen-bonded Turntrans-116.318.4175.6-78.2-170.4-12.300114.8G313 Q317G313-Q315 PolarHBondContact O-N 2.76Å; Q315-Q317 PolarHBondContact O-N 2.85Å
316N41.7Very low57.9Low143 Ų143124.6 Ų124.677%0.76563%0.627SS**THydrogen-bonded Turntrans-73.124179.5-108.724.1000116G313G313-N316 PolarHBondContact O-N 3.46Å
317Q43Very low57.8Low185 Ų185124.5 Ų124.586%0.86462%0.622SS**THydrogen-bonded Turntrans-131.4-2.8174-78.5-174.1-9.900116Q315Q315-Q317 PolarHBondContact O-N 2.85Å
318D45.7Very low57.5Low115 Ų115124.4 Ų124.462%0.61561%0.613SS**  trans-126.226.8-168.8-72.5-12.2000114.6D320D318-D320 PolarHBondContact O-N 3.42Å
319E42.9Very low57.1Low160 Ų160119.8 Ų119.875%0.74859%0.589SS**G310 helixtrans-66.7-10.6175.6-81.3-171.415800114D321E319-D321 PolarHBondContact O-N 3.36Å
320D42.8Very low56.9Low166 Ų166119.2 Ų119.289%0.88859%0.591SS**G310 helixtrans-81.41.1-170-95.5-16.1000116.8D318D318-D320 PolarHBondContact O-N 3.42Å
321D46.5Very low56.6Low81 Ų81118.8 Ų118.843%0.43360%0.596SS.*G310 helixtrans-121.933.5-175.7-144.37.9000115E319 R323E319-D321 PolarHBondContact O-N 3.36Å; D321-R323 PolarHBondContact O-N 3.23Å
322H45.7Very low56.1Low172 Ų172119.2 Ų119.280%0.79659%0.594SS**  trans-72.927.5169.3-83.8-63.4000114.1K324H322-K324 PolarHBondContact O-N 3.13Å; H322-K324 VanDerWaalsContact O-N 3.13Å
323R48.7Very low56.1Low212 Ų212120 Ų12080%0.859%0.589SS**PPolyproline II helixtrans-62.3120.7169-69.8-176.7-176.1-171.83.1107.8D321 S325D321-R323 PolarHBondContact O-N 3.23Å; R323-S325 PolarHBondContact O-N 2.98Å
324K53.9Low56.4Low194 Ų194123.9 Ų123.984%0.84359%0.591SS**PPolyproline II helixtrans-51.5118.7171-77-177.3178.2179.10107.4H322 T326H322-K324 PolarHBondContact O-N 3.13Å; H322-K324 VanDerWaalsContact O-N 3.13Å; K324-T326 PolarHBondContact O-N 3.41Å; K324-T326 VanDerWaalsContact O-N 3.11Å
325S53.5Low56.8Low83 Ų83122.6 Ų122.658%0.5859%0.586SS**PPolyproline II helixtrans-49.3121.2175.6168.30000108.7N30 R323N30-S325 PolarHBondContact ND2-OG 3.3Å; R323-S325 PolarHBondContact O-N 2.98Å
326T67.5Low57.5Low76 Ų76123.7 Ų123.747%0.46659%0.591SS.*PPolyproline II helixtrans-89.2144177.859.60000109.1N30 K324N30-T326 PolarHBondContact ND2-O 2.98Å; N30-T326 VanDerWaalsContact ND2-O 3.1Å; N30-T326 PolarHBondContact OD1-N 3.12Å; N30-T326 PolarHBondContact OD1-O 3.37Å; N30-T326 PolarHBondContact OD1-OG1 3.12Å; K324-T326 PolarHBondContact O-N 3.41Å; K324-T326 VanDerWaalsContact O-N 3.11Å
327W71.4Confident58.4Low76 Ų76118.2 Ų118.229%0.28856%0.561SS.*  trans-124.4151.2174-163.7-114.8000109.3G22 I25 D26 L329G22-W327 VanDerWaalsContact O-CH2 3.29Å; G22-W327 WeakPolarHBondContact O-CH2 3.41Å; I25-W327 HydrophobicContact CB-CH2 4.43Å; I25-W327 HydrophobicContact CB-CZ3 4.49Å; I25-W327 HydrophobicContact CG2-CH2 4.47Å; I25-W327 HydrophobicContact CG2-CZ3 4.27Å; D26-W327 HydrophobicContact CB-CZ3 3.99Å; W327-L329 VanDerWaalsContact C-N 3.34Å
328F74Confident59Low44 Ų44112.6 Ų112.619%0.19354%0.537CS..SBendtrans-76.1-23.8-175.973.9-81.1000113I25 E57 Q58 E61I25-F328 HydrophobicContact CD1-CD1 4.17Å; I25-F328 HydrophobicContact CD1-CE1 3.85Å; I25-F328 HydrophobicContact CD1-CZ 4.42Å; I25-F328 HydrophobicContact CG2-CD1 3.67Å; I25-F328 HydrophobicContact CG2-CE1 4.3Å; I25-F328 HydrophobicContact CG2-CG 4.44Å; E57-F328 HydrophobicContact CB-CE2 4.11Å; Q58-F328 HydrophobicContact CB-CZ 4.38Å; Q58-F328 HydrophobicContact CG-CE1 3.78Å; Q58-F328 HydrophobicContact CG-CE2 4.49Å; Q58-F328 HydrophobicContact CG-CZ 3.42Å; Q58-F328 VanDerWaalsContact CG-CZ 3.42Å; E61-F328 HydrophobicContact CG-CB 4.47Å; E61-F328 HydrophobicContact CG-CG 4.38Å
329L72.7Confident59.1Low21 Ų21108.9 Ų108.911%0.1153%0.525CS..SBendtrans-93.6145.6171.7-63.4173.2000111.1E57 W327 E333E57-L329 WeakPolarHBondContact OE2-CD2 3.44Å; W327-L329 VanDerWaalsContact C-N 3.34Å; L329-E333 HydrophobicContact CB-CB 3.95Å; L329-E333 HydrophobicContact CD2-CB 4.07Å; L329-E333 HydrophobicContact CG-CB 4.4Å
330T72.9Confident59.4Low77 Ų77106.5 Ų106.547%0.47251%0.513SS..  trans-63.2162.4167.864.10000111.4Q332 E333 R334T330-Q332 PolarHBondContact O-N 3.42Å; T330-E333 WeakPolarHBondContact CB-OE2 3.43Å; T330-E333 WeakPolarHBondContact CG2-OE2 3.4Å; T330-E333 PolarHBondContact N-OE2 3.12Å; T330-E333 PolarHBondContact O-N 3.5Å; T330-E333 VanDerWaalsContact OG1-CG 3.27Å; T330-E333 WeakPolarHBondContact OG1-CG 3.3Å; T330-E333 PolarHBondContact OG1-N 3.25Å; T330-E333 PolarHBondContact OG1-OE2 2.89Å; T330-R334 WeakPolarHBondContact O-CB 3.3Å; T330-R334 PolarHBondContact O-N 3.4Å
331E65.2Low59.4Low144 Ų144106.6 Ų106.667%0.67350%0.5SS*.Hα-helixtrans-60.7-32.8177.3-79.8-167.416600113.4K335E331-K335 WeakPolarHBondContact O-CB 3.29Å; E331-K335 WeakPolarHBondContact O-CG 3.5Å; E331-K335 PolarHBondContact O-N 3.24Å
332Q64.9Low58.9Low157 Ų157110 Ų11073%0.73452%0.518SS*.Hα-helixtrans-67.6-51.9176.7-78.3-178.7-18.600110.8T330 R334 K335 E336T330-Q332 PolarHBondContact O-N 3.42Å; Q332-R334 VanDerWaalsContact C-N 3.26Å; Q332-R334 PolarHBondContact O-N 2.96Å; Q332-K335 PolarHBondContact O-N 3.31Å; Q332-K335 VanDerWaalsContact O-N 3.08Å; Q332-E336 PolarHBondContact O-N 2.96Å
333E70.2Confident58.3Low91 Ų91109.3 Ų109.343%0.42552%0.519SS..Hα-helixtrans-57.9-39.6175.9-69.8162.2151.500111.3L329 T330 E336 Q337L329-E333 HydrophobicContact CB-CB 3.95Å; L329-E333 HydrophobicContact CD2-CB 4.07Å; L329-E333 HydrophobicContact CG-CB 4.4Å; T330-E333 WeakPolarHBondContact CB-OE2 3.43Å; T330-E333 WeakPolarHBondContact CG2-OE2 3.4Å; T330-E333 PolarHBondContact N-OE2 3.12Å; T330-E333 PolarHBondContact O-N 3.5Å; T330-E333 VanDerWaalsContact OG1-CG 3.27Å; T330-E333 WeakPolarHBondContact OG1-CG 3.3Å; T330-E333 PolarHBondContact OG1-N 3.25Å; T330-E333 PolarHBondContact OG1-OE2 2.89Å; E333-E336 PolarHBondContact O-N 3.28Å; E333-Q337 WeakPolarHBondContact O-CB 3.28Å; E333-Q337 PolarHBondContact O-N 3.49Å
334R63.6Low57.5Low122 Ų122105.6 Ų105.646%0.4653%0.526SS..Hα-helixtrans-66.7-37.5176.4-162.2-178.182173.72.6112.8T330 Q332 Q337 N338T330-R334 WeakPolarHBondContact O-CB 3.3Å; T330-R334 PolarHBondContact O-N 3.4Å; Q332-R334 VanDerWaalsContact C-N 3.26Å; Q332-R334 PolarHBondContact O-N 2.96Å; R334-Q337 PolarHBondContact O-N 2.95Å; R334-N338 WeakPolarHBondContact O-CB 3.4Å; R334-N338 PolarHBondContact O-N 2.92Å
335K59.3Low57.7Low152 Ų152101.2 Ų101.266%0.66151%0.51SS*.Hα-helixtrans-68.4-40.6176.1-82.8179.4-179.8173.90111.2E331 Q332 Q337 N338 G339E331-K335 WeakPolarHBondContact O-CB 3.29Å; E331-K335 WeakPolarHBondContact O-CG 3.5Å; E331-K335 PolarHBondContact O-N 3.24Å; Q332-K335 PolarHBondContact O-N 3.31Å; Q332-K335 VanDerWaalsContact O-N 3.08Å; K335-Q337 VanDerWaalsContact C-N 3.3Å; K335-Q337 PolarHBondContact O-N 3.43Å; K335-N338 PolarHBondContact O-N 3.39Å; K335-G339 PolarHBondContact O-N 3.2Å
336E61.5Low57.9Low126 Ų126102.2 Ų102.259%0.58951%0.506SS*.Hα-helixtrans-62.2-40.8173.1-70.6-174.9-179.800111.5Q332 E333 K340Q332-E336 PolarHBondContact O-N 2.96Å; E333-E336 PolarHBondContact O-N 3.28Å; E336-K340 WeakPolarHBondContact O-CG 3.41Å; E336-K340 PolarHBondContact O-N 3.01Å
337Q60.9Low57.4Low29 Ų29103.6 Ų103.614%0.13651%0.509CS..Hα-helixtrans-63.8-46.3175.3-168.8177.943.400112.3E333 R334 K335 R341E333-Q337 WeakPolarHBondContact O-CB 3.28Å; E333-Q337 PolarHBondContact O-N 3.49Å; R334-Q337 PolarHBondContact O-N 2.95Å; K335-Q337 VanDerWaalsContact C-N 3.3Å; K335-Q337 PolarHBondContact O-N 3.43Å; Q337-R341 PolarHBondContact O-N 2.89Å
338N55.1Low56.6Low67 Ų67105.2 Ų105.236%0.35852%0.522SS..Hα-helixtrans-73-36.5179.2-83.6-20.8000113.3R334 K335 K340 R341 L342R334-N338 WeakPolarHBondContact O-CB 3.4Å; R334-N338 PolarHBondContact O-N 2.92Å; K335-N338 PolarHBondContact O-N 3.39Å; N338-K340 VanDerWaalsContact C-N 3.28Å; N338-K340 PolarHBondContact O-N 2.91Å; N338-R341 WeakPolarHBondContact O-CB 3.13Å; N338-R341 PolarHBondContact O-N 2.87Å; N338-R341 VanDerWaalsContact O-N 3.14Å; N338-L342 PolarHBondContact O-N 2.91Å
339G48.6Very low55.5Low37 Ų37109.1 Ų109.138%0.38154%0.542SS..Hα-helixtrans-63.3-35.9179.200000112.2K335K335-G339 PolarHBondContact O-N 3.2Å
340K49.1Very low54.3Low110 Ų110114.9 Ų114.948%0.47857%0.571SS.*Hα-helixtrans-77-22.3175-64.8179.7-168.2170.80113.1Y54 E336 N338Y54-K340 HydrophobicContact CE1-CD 4.08Å; Y54-K340 HydrophobicContact CE2-CB 4.03Å; Y54-K340 WeakPolarHBondContact OH-CB 3.48Å; Y54-K340 WeakPolarHBondContact OH-CD 3.21Å; E336-K340 WeakPolarHBondContact O-CG 3.41Å; E336-K340 PolarHBondContact O-N 3.01Å; N338-K340 VanDerWaalsContact C-N 3.28Å; N338-K340 PolarHBondContact O-N 2.91Å
341R42.4Very low53Low167 Ų167117.6 Ų117.663%0.6358%0.578SS**Hα-helixtrans-73.9-30.6177.4-167.9-177.3177.8-164.31113.9Q337 N338 L343 S344Q337-R341 PolarHBondContact O-N 2.89Å; N338-R341 WeakPolarHBondContact O-CB 3.13Å; N338-R341 PolarHBondContact O-N 2.87Å; N338-R341 VanDerWaalsContact O-N 3.14Å; R341-L343 VanDerWaalsContact C-N 3.3Å; R341-S344 PolarHBondContact O-OG 3.41Å
342L35.9Very low52Low153 Ų153115.6 Ų115.680%0.80157%0.571SS**THydrogen-bonded Turntrans-77.8-13.9-179.4-83.3150.9000113.5N338N338-L342 PolarHBondContact O-N 2.91Å
343L33.6Very low51Low158 Ų158112.2 Ų112.283%0.82756%0.557SS**THydrogen-bonded Turntrans-91.61.7-178.9-71.1165.8000113.6R341R341-L343 VanDerWaalsContact C-N 3.3Å
344S31.6Very low49.2Very low134 Ų134114.1 Ų114.194%0.93757%0.569SS**  trans-125.50179.863.60000111.4R341R341-S344 PolarHBondContact O-OG 3.41Å

Retrieved 344 of 344 residues in 193.5 ms (Link to these results)

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