A0A087X5W7_POEFO Loading...

Leucine-rich repeat-containing protein 6

AlphaFold DB , UniProt , Accession A0A087X5W7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 435 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1L55.9Low77.9Confident144 Ų14476.4 Ų76.475%0.75436%0.358SS*.  088.70-62-178.8000108.9P3 E34 R35L1-P3 WeakPolarHBondContact O-CD 3.37Å; L1-E34 WeakPolarHBondContact CA-OE1 3.13Å; L1-E34 WeakPolarHBondContact CA-OE2 3.39Å; L1-E34 HydrophobicContact CD2-CB 4.02Å; L1-E34 WeakPolarHBondContact CD2-OE2 3.43Å; L1-E34 VanDerWaalsContact N-CD 3.26Å; L1-E34 PolarHBondContact N-OE1 3.2Å; L1-E34 PolarHBondContact N-OE2 3.03Å; L1-R35 HydrophobicContact CD2-CG 4.47Å
2H73.4Confident77.7Confident105 Ų10581.5 Ų81.549%0.48637%0.371SS..  trans-88.197.6169.6-141.8-63.6000108.8D32 I33 E34H2-D32 WeakPolarHBondContact CB-O 3.45Å; H2-I33 WeakPolarHBondContact O-CA 3.42Å; H2-E34 PolarHBondContact N-OE1 3.29Å; H2-E34 PolarHBondContact O-N 3.49Å
3P81.4Confident77.2Confident38 Ų3875.4 Ų75.425%0.24734%0.344CS..BIsolated β-bridgetrans-77.6162.4177.933.4-36.6000110.9L1 T5 E37L1-P3 WeakPolarHBondContact O-CD 3.37Å; P3-T5 HydrophobicContact CG-CG2 4.41Å; P3-T5 PolarHBondContact O-N 3.47Å; P3-E37 HydrophobicContact CB-CG 4.45Å
4V81.4Confident76.1Confident3 Ų379.3 Ų79.32%0.01836%0.363CS..PPolyproline II helixtrans-62.8117164.2-1760000108.6I9 L28 I33 R35 V39 W42V4-I9 HydrophobicContact CG1-CD1 3.8Å; V4-I9 HydrophobicContact CG1-CG1 3.95Å; V4-L28 HydrophobicContact CG1-CD1 4.05Å; V4-I33 HydrophobicContact CG2-CD1 4Å; V4-I33 HydrophobicContact CG2-CG1 4.29Å; V4-I33 HydrophobicContact CG2-CG2 3.59Å; V4-R35 PolarHBondContact N-O 3.42Å; V4-V39 HydrophobicContact CB-CG2 4.37Å; V4-V39 HydrophobicContact CG1-CG2 4.03Å; V4-V39 HydrophobicContact CG2-CG2 4.48Å; V4-W42 HydrophobicContact CG1-CZ3 4.13Å; V4-W42 WeakPolarHBondContact O-CH2 3.17Å; V4-W42 WeakPolarHBondContact O-CZ3 3.12Å
5T81.9Confident75.1Confident55 Ų5586.4 Ų86.434%0.33740%0.396SS..PPolyproline II helixtrans-100.2152.3177.359.30000111.6P3 E7 L8 I9P3-T5 HydrophobicContact CG-CG2 4.41Å; P3-T5 PolarHBondContact O-N 3.47Å; T5-E7 VanDerWaalsContact C-N 3.27Å; T5-E7 PolarHBondContact O-N 2.51Å; T5-L8 WeakPolarHBondContact O-CB 3.39Å; T5-L8 PolarHBondContact O-N 2.8Å; T5-L8 VanDerWaalsContact O-N 3.17Å; T5-L8 VanDerWaalsContact OG1-CB 3.3Å; T5-L8 WeakPolarHBondContact OG1-CB 3.17Å; T5-L8 PolarHBondContact OG1-N 3.28Å; T5-I9 PolarHBondContact O-N 2.83Å
6E80.6Confident74.3Confident70 Ų7084.4 Ų84.433%0.32739%0.389SS..Hα-helixtrans-60.4-40.1176.7-169179.6148.600111.5L8 I9 R10 I20 W42E6-L8 VanDerWaalsContact C-N 3.28Å; E6-L8 PolarHBondContact O-N 3.31Å; E6-I9 PolarHBondContact O-N 2.97Å; E6-R10 WeakPolarHBondContact O-CG 3.03Å; E6-R10 PolarHBondContact O-N 2.86Å; E6-R10 IonicContact OE1-CZ 3.49Å; E6-R10 IonicContact OE1-NE 2.7Å; E6-R10 PolarHBondContact OE1-NE 2.95Å; E6-R10 IonicContact OE1-NH2 3.23Å; E6-R10 PolarHBondContact OE1-NH2 3.37Å; E6-I20 HydrophobicContact CG-CD1 3.77Å; E6-W42 HydrophobicContact CB-CD2 4.44Å; E6-W42 HydrophobicContact CB-CH2 4.14Å; E6-W42 HydrophobicContact CB-CZ2 3.67Å; E6-W42 HydrophobicContact CG-CD2 4.48Å; E6-W42 HydrophobicContact CG-CZ2 4.42Å; E6-W42 PolarHBondContact OE2-NE1 3.15Å
7E79.4Confident73.6Confident134 Ų13487.9 Ų87.963%0.62641%0.412SS*.Hα-helixtrans-60.4-38.5176.9-64.8-177.4-170.200112.2T5 I9 R10 R11T5-E7 VanDerWaalsContact C-N 3.27Å; T5-E7 PolarHBondContact O-N 2.51Å; E7-I9 VanDerWaalsContact C-N 3.35Å; E7-R10 PolarHBondContact O-N 2.82Å; E7-R11 VanDerWaalsContact O-CG 3.32Å; E7-R11 WeakPolarHBondContact O-CG 3.45Å; E7-R11 PolarHBondContact O-N 3.23Å
8L81.9Confident72.9Confident25 Ų2586.3 Ų86.313%0.13141%0.411CS..Hα-helixtrans-64.1-42.8177.8-177.365.6000110.9T5 E6 R12 L28 Q31 I33T5-L8 WeakPolarHBondContact O-CB 3.39Å; T5-L8 PolarHBondContact O-N 2.8Å; T5-L8 VanDerWaalsContact O-N 3.17Å; T5-L8 VanDerWaalsContact OG1-CB 3.3Å; T5-L8 WeakPolarHBondContact OG1-CB 3.17Å; T5-L8 PolarHBondContact OG1-N 3.28Å; E6-L8 VanDerWaalsContact C-N 3.28Å; E6-L8 PolarHBondContact O-N 3.31Å; L8-R12 WeakPolarHBondContact O-CG 3.23Å; L8-R12 PolarHBondContact O-N 3.18Å; L8-L28 HydrophobicContact CD2-CD2 3.77Å; L8-L28 HydrophobicContact CG-CD2 3.71Å; L8-Q31 HydrophobicContact CD1-CG 4.41Å; L8-Q31 HydrophobicContact CD2-CB 4.2Å; L8-Q31 HydrophobicContact CD2-CG 4.28Å; L8-I33 HydrophobicContact CD2-CD1 4.44Å
9I82.1Confident72.6Confident2 Ų287.7 Ų87.71%0.0142%0.417CS..Hα-helixtrans-66.7-44.3175.8-59.9178.7000110.4V4 T5 E6 E7 R11 R12 A13 I20 V26 L28 W42V4-I9 HydrophobicContact CG1-CD1 3.8Å; V4-I9 HydrophobicContact CG1-CG1 3.95Å; T5-I9 PolarHBondContact O-N 2.83Å; E6-I9 PolarHBondContact O-N 2.97Å; E7-I9 VanDerWaalsContact C-N 3.35Å; I9-R11 PolarHBondContact O-N 2.88Å; I9-R12 CarbonylContact O-C 3.48Å; I9-R12 WeakPolarHBondContact O-CA 3.37Å; I9-R12 PolarHBondContact O-N 3.25Å; I9-A13 WeakPolarHBondContact O-CB 3.48Å; I9-A13 PolarHBondContact O-N 3Å; I9-I20 HydrophobicContact CG2-CB 4.38Å; I9-I20 HydrophobicContact CG2-CG2 3.88Å; I9-V26 HydrophobicContact CG2-CG2 4.42Å; I9-L28 HydrophobicContact CG1-CD1 4.47Å; I9-W42 HydrophobicContact CD1-CD2 4.33Å; I9-W42 HydrophobicContact CD1-CE3 3.4Å; I9-W42 VanDerWaalsContact CD1-CE3 3.4Å; I9-W42 HydrophobicContact CD1-CZ3 3.9Å
10R79.3Confident72.7Confident102 Ų10283.9 Ų83.939%0.38540%0.399SS..Hα-helixtrans-59.6-43178.7-77-179-176-83.14.7112.8E6 E7 R12 A13 C18 I20E6-R10 WeakPolarHBondContact O-CG 3.03Å; E6-R10 PolarHBondContact O-N 2.86Å; E6-R10 IonicContact OE1-CZ 3.49Å; E6-R10 IonicContact OE1-NE 2.7Å; E6-R10 PolarHBondContact OE1-NE 2.95Å; E6-R10 IonicContact OE1-NH2 3.23Å; E6-R10 PolarHBondContact OE1-NH2 3.37Å; E7-R10 PolarHBondContact O-N 2.82Å; R10-R12 PolarHBondContact O-N 3.25Å; R10-A13 WeakPolarHBondContact O-CB 3.44Å; R10-A13 PolarHBondContact O-N 3.18Å; R10-A13 VanDerWaalsContact O-N 3.09Å; R10-C18 PolarHBondContact NH1-O 3.28Å; R10-C18 VanDerWaalsContact NH1-O 3.13Å; R10-I20 HydrophobicContact CB-CG2 4.45Å; R10-I20 HydrophobicContact CG-CG2 3.52Å
11R79.1Confident72.7Confident162 Ų16285.1 Ų85.161%0.61141%0.408SS*.Hα-helixtrans-62.3-26.9173.9-72.6178.5-169.7-149.26113E7 I9 E14E7-R11 VanDerWaalsContact O-CG 3.32Å; E7-R11 WeakPolarHBondContact O-CG 3.45Å; E7-R11 PolarHBondContact O-N 3.23Å; I9-R11 PolarHBondContact O-N 2.88Å; R11-E14 VanDerWaalsContact O-CG 3.22Å; R11-E14 WeakPolarHBondContact O-CG 3.44Å
12R76.1Confident73.7Confident138 Ų13880.4 Ų80.452%0.52139%0.387SS..Hα-helixtrans-89.6-16.9176-61.9-57.8-175.4-1772.5112.6L8 I9 R10 E14 L28L8-R12 WeakPolarHBondContact O-CG 3.23Å; L8-R12 PolarHBondContact O-N 3.18Å; I9-R12 CarbonylContact O-C 3.48Å; I9-R12 WeakPolarHBondContact O-CA 3.37Å; I9-R12 PolarHBondContact O-N 3.25Å; R10-R12 PolarHBondContact O-N 3.25Å; R12-E14 VanDerWaalsContact C-N 3.28Å; R12-E14 PolarHBondContact O-N 3.03Å; R12-L28 HydrophobicContact CG-CD2 4.42Å
13A71.3Confident74.1Confident2 Ų275.9 Ų75.92%0.01737%0.366CS..  trans-8513.1173.800000113.9I9 R10 H15 N16 C18 I20 L23I9-A13 WeakPolarHBondContact O-CB 3.48Å; I9-A13 PolarHBondContact O-N 3Å; R10-A13 WeakPolarHBondContact O-CB 3.44Å; R10-A13 PolarHBondContact O-N 3.18Å; R10-A13 VanDerWaalsContact O-N 3.09Å; A13-H15 PolarHBondContact O-N 2.84Å; A13-H15 VanDerWaalsContact O-N 3.1Å; A13-N16 CarbonylContact O-C 3.48Å; A13-N16 WeakPolarHBondContact O-CA 3.41Å; A13-N16 PolarHBondContact O-N 3.43Å; A13-C18 PolarHBondContact O-N 3.02Å; A13-C18 VanDerWaalsContact O-N 3.15Å; A13-I20 HydrophobicContact CB-CG2 4.39Å; A13-L23 HydrophobicContact CB-CD1 3.2Å
14E61.7Low74.3Confident130 Ų13078.6 Ų78.661%0.60738%0.375SS*.G310 helixtrans-56.3-29.1-177.5-76.4171.7-174.100113R11 R12 N16R11-E14 VanDerWaalsContact O-CG 3.22Å; R11-E14 WeakPolarHBondContact O-CG 3.44Å; R12-E14 VanDerWaalsContact C-N 3.28Å; R12-E14 PolarHBondContact O-N 3.03Å; E14-N16 VanDerWaalsContact C-N 3.33Å
15H60.7Low74.6Confident186 Ų18684.2 Ų84.286%0.86140%0.401SS*.G310 helixtrans-85-2.6177.3-56.592.3000114.1A13A13-H15 PolarHBondContact O-N 2.84Å; A13-H15 VanDerWaalsContact O-N 3.1Å
16N62.3Low74.9Confident54 Ų5481.9 Ų81.929%0.28939%0.387SS..G310 helixtrans-121.241178.2-166.250.2000110.5A13 E14 C18 E19 S22 L23A13-N16 CarbonylContact O-C 3.48Å; A13-N16 WeakPolarHBondContact O-CA 3.41Å; A13-N16 PolarHBondContact O-N 3.43Å; E14-N16 VanDerWaalsContact C-N 3.33Å; N16-C18 PolarHBondContact O-N 3.45Å; N16-E19 PolarHBondContact ND2-O 3.06Å; N16-E19 WeakPolarHBondContact O-CB 3.49Å; N16-E19 PolarHBondContact O-N 3.43Å; N16-S22 PolarHBondContact ND2-OG 3.23Å; N16-L23 HydrophobicContact CB-CD1 4.17Å
17D61.8Low75.3Confident145 Ų14581.1 Ų81.178%0.77539%0.39SS*.THydrogen-bonded Turntrans51.827-179.4-62.4-40.5000114.7E19D17-E19 HydrophobicContact CB-CG 4.46Å; D17-E19 PolarHBondContact O-N 2.68Å; D17-E19 VanDerWaalsContact O-N 3.16Å
18C61.4Low75.7Confident59 Ų5974.8 Ų74.840%0.39936%0.36SS..THydrogen-bonded Turntrans59.916.2-172.7-54.90000114.4R10 A13 N16 I20R10-C18 PolarHBondContact NH1-O 3.28Å; R10-C18 VanDerWaalsContact NH1-O 3.13Å; A13-C18 PolarHBondContact O-N 3.02Å; A13-C18 VanDerWaalsContact O-N 3.15Å; N16-C18 PolarHBondContact O-N 3.45Å; C18-I20 PolarHBondContact O-N 3.28Å
19E66.8Low75.9Confident113 Ų11375.4 Ų75.453%0.52836%0.362SS..  trans-79.2113.4171.6-63.6-164.516300110N16 D17 S22N16-E19 PolarHBondContact ND2-O 3.06Å; N16-E19 WeakPolarHBondContact O-CB 3.49Å; N16-E19 PolarHBondContact O-N 3.43Å; D17-E19 HydrophobicContact CB-CG 4.46Å; D17-E19 PolarHBondContact O-N 2.68Å; D17-E19 VanDerWaalsContact O-N 3.16Å; E19-S22 WeakPolarHBondContact CB-OG 3.49Å; E19-S22 PolarHBondContact OE2-OG 3.3Å
20I75.3Confident76Confident10 Ų1081.7 Ų81.75%0.05139%0.391CS..SBendtrans-87.1-19.8-179.958.9-179.3000112.9E6 I9 R10 A13 C18 W42 C43E6-I20 HydrophobicContact CG-CD1 3.77Å; I9-I20 HydrophobicContact CG2-CB 4.38Å; I9-I20 HydrophobicContact CG2-CG2 3.88Å; R10-I20 HydrophobicContact CB-CG2 4.45Å; R10-I20 HydrophobicContact CG-CG2 3.52Å; A13-I20 HydrophobicContact CB-CG2 4.39Å; C18-I20 PolarHBondContact O-N 3.28Å; I20-W42 CarbonylContact C-O 3.59Å; I20-W42 HydrophobicContact CD1-CB 4.13Å; I20-W42 HydrophobicContact CD1-CG 4.26Å; I20-C43 PolarHBondContact O-SG 3.47Å
21L72.1Confident76.3Confident111 Ų11179.1 Ų79.158%0.58138%0.384SS*.SBendtrans-79.1-38.1-173.2-71.7164.4000113.2L23 W42L21-L23 VanDerWaalsContact C-N 3.29Å; L21-W42 WeakPolarHBondContact CA-O 3.43Å
22S77.6Confident76.5Confident45 Ų4573.8 Ų73.832%0.31537%0.367SS..SBendtrans-86.90.9-179.149.90000113N16 E19 E24N16-S22 PolarHBondContact ND2-OG 3.23Å; E19-S22 WeakPolarHBondContact CB-OG 3.49Å; E19-S22 PolarHBondContact OE2-OG 3.3Å; S22-E24 PolarHBondContact O-N 3.03Å
23L81.6Confident77Confident9 Ų967.2 Ų67.25%0.04734%0.343CS..  trans-79.1120.5-164-162.8143.3000111.6A13 N16 L21 E25 V26 E45 L46A13-L23 HydrophobicContact CB-CD1 3.2Å; N16-L23 HydrophobicContact CB-CD1 4.17Å; L21-L23 VanDerWaalsContact C-N 3.29Å; L23-E25 VanDerWaalsContact CD2-C 3.5Å; L23-E25 WeakPolarHBondContact CD2-O 3.13Å; L23-V26 HydrophobicContact CD2-CB 4.19Å; L23-V26 HydrophobicContact CD2-CG2 3.07Å; L23-V26 HydrophobicContact CG-CG2 4.49Å; L23-E45 CarbonylContact O-C 3.58Å; L23-L46 HydrophobicContact CD2-CD1 4.03Å; L23-L46 WeakPolarHBondContact O-CA 3.22Å; L23-L46 PolarHBondContact O-N 2.87Å
24E85.2Confident77.7Confident95 Ų9569.4 Ų69.444%0.44435%0.353SS..  trans-86.4-28.9-176.2-65.5-166.8-166.900113S22 R47 I48S22-E24 PolarHBondContact O-N 3.03Å; E24-R47 HydrophobicContact CB-CG 4.43Å; E24-R47 WeakPolarHBondContact O-CA 3.36Å; E24-R47 PolarHBondContact O-N 3.27Å; E24-R47 VanDerWaalsContact OE2-CD 3.23Å; E24-R47 WeakPolarHBondContact OE2-CD 3.39Å; E24-R47 IonicContact OE2-CZ 3.54Å; E24-R47 IonicContact OE2-NE 3.53Å; E24-R47 IonicContact OE2-NH1 2.83Å; E24-R47 PolarHBondContact OE2-NH1 2.75Å; E24-I48 PolarHBondContact O-N 3.22Å
25E88.1Confident78.8Confident121 Ų12167.4 Ų67.457%0.56534%0.34SS*.EExtended strand (participates in β ladder)trans-137.4120.4-173-55.2-171.4170.700112.3L23 I48L23-E25 VanDerWaalsContact CD2-C 3.5Å; L23-E25 WeakPolarHBondContact CD2-O 3.13Å; E25-I48 WeakPolarHBondContact CA-O 3.5Å; E25-I48 HydrophobicContact CB-CB 4.35Å; E25-I48 HydrophobicContact CG-CB 4.02Å; E25-I48 HydrophobicContact CG-CD1 4.14Å; E25-I48 HydrophobicContact CG-CG1 4.15Å; E25-I48 WeakPolarHBondContact OE1-CD1 3.34Å
26V88.4Confident80Confident6 Ų658.6 Ų58.64%0.03630%0.299CS..EExtended strand (participates in β ladder)trans-118123.2178.5170.20000110.4I9 L23 L28 L46 I48 L49 Y50I9-V26 HydrophobicContact CG2-CG2 4.42Å; L23-V26 HydrophobicContact CD2-CB 4.19Å; L23-V26 HydrophobicContact CD2-CG2 3.07Å; L23-V26 HydrophobicContact CG-CG2 4.49Å; V26-L28 HydrophobicContact CG1-CB 4.49Å; V26-L28 HydrophobicContact CG1-CD1 3.55Å; V26-L28 HydrophobicContact CG1-CD2 4.3Å; V26-L28 HydrophobicContact CG1-CG 3.45Å; V26-L28 VanDerWaalsContact CG1-CG 3.45Å; V26-L46 HydrophobicContact CB-CD1 3.94Å; V26-L46 HydrophobicContact CG2-CD1 3.51Å; V26-L46 HydrophobicContact CG2-CD2 4.47Å; V26-I48 PolarHBondContact N-O 2.91Å; V26-L49 HydrophobicContact CB-CD1 3.96Å; V26-L49 HydrophobicContact CG1-CD1 3.93Å; V26-Y50 WeakPolarHBondContact O-CB 3.31Å; V26-Y50 PolarHBondContact O-N 3.04Å
27S89.6Confident81Confident55 Ų5559 Ų5939%0.38530%0.299SS..EExtended strand (participates in β ladder)trans-104.2108.9170.21710000112.5H29S27-H29 PolarHBondContact OG-CD2 2.87Å
28L86.4Confident81.9Confident1 Ų155.4 Ų55.41%0.00528%0.277CS..  trans-121.948.6179-68.3170.8000111.1V4 L8 I9 R12 V26 I33 L49 Y50 L51 N54V4-L28 HydrophobicContact CG1-CD1 4.05Å; L8-L28 HydrophobicContact CD2-CD2 3.77Å; L8-L28 HydrophobicContact CG-CD2 3.71Å; I9-L28 HydrophobicContact CG1-CD1 4.47Å; R12-L28 HydrophobicContact CG-CD2 4.42Å; V26-L28 HydrophobicContact CG1-CB 4.49Å; V26-L28 HydrophobicContact CG1-CD1 3.55Å; V26-L28 HydrophobicContact CG1-CD2 4.3Å; V26-L28 HydrophobicContact CG1-CG 3.45Å; V26-L28 VanDerWaalsContact CG1-CG 3.45Å; L28-I33 HydrophobicContact CB-CD1 3.91Å; L28-I33 HydrophobicContact CD1-CD1 4.43Å; L28-L49 HydrophobicContact CD1-CD1 4.49Å; L28-Y50 CarbonylContact C-O 3.59Å; L28-Y50 WeakPolarHBondContact CA-O 3.41Å; L28-Y50 PolarHBondContact N-O 2.99Å; L28-L51 HydrophobicContact CB-CD2 3.72Å; L28-L51 HydrophobicContact CD1-CD2 3.97Å; L28-N54 PolarHBondContact O-ND2 3.02Å
29H86.8Confident82.9Confident37 Ų3752.8 Ų52.817%0.17126%0.259CS..THydrogen-bonded Turntrans-78.1141.1177.2-56-49.1000112S27 Q31 Y50 Q52S27-H29 PolarHBondContact OG-CD2 2.87Å; H29-Q31 VanDerWaalsContact C-N 3.34Å; H29-Q31 WeakPolarHBondContact O-CG 3.41Å; H29-Q31 PolarHBondContact O-N 3.2Å; H29-Q31 PolarHBondContact O-NE2 3.16Å; H29-Y50 WeakPolarHBondContact CE1-CB 3.39Å; H29-Y50 AromaticContact CE1-CD1 3.52Å; H29-Y50 AromaticContact CE1-CG 3.54Å; H29-Y50 WeakPolarHBondContact NE2-CB 3.36Å; H29-Y50 AromaticContact NE2-CD1 3.7Å; H29-Y50 AromaticContact NE2-CG 3.53Å; H29-Q52 WeakPolarHBondContact CA-O 3.28Å; H29-Q52 HydrophobicContact CB-CG 4.15Å; H29-Q52 PolarHBondContact CD2-NE2 2.69Å; H29-Q52 VanDerWaalsContact CE1-CG 3.48Å; H29-Q52 WeakPolarHBondContact CE1-CG 3.43Å; H29-Q52 PolarHBondContact CE1-NE2 3.23Å; H29-Q52 PolarHBondContact CE1-OE1 2.86Å; H29-Q52 VanDerWaalsContact CE1-OE1 3.32Å; H29-Q52 VanDerWaalsContact CG-NE2 3.26Å; H29-Q52 WeakPolarHBondContact ND1-CG 3.41Å; H29-Q52 PolarHBondContact ND1-N 3.4Å; H29-Q52 PolarHBondContact ND1-NE2 3.14Å; H29-Q52 PolarHBondContact NE2-NE2 2.88Å; H29-Q52 VanDerWaalsContact NE2-NE2 3.11Å
30Q85Confident83.5Confident134 Ų13447.8 Ų47.863%0.62624%0.236SC*.THydrogen-bonded Turntrans54.946.3171.1-51.7-179.1-40.200112.9Q52 N53Q30-Q52 PolarHBondContact N-O 3.35Å; Q30-N53 WeakPolarHBondContact CA-O 3.42Å; Q30-N53 HydrophobicContact CG-CB 4.07Å; Q30-N53 PolarHBondContact N-O 3.24Å
31Q84.4Confident83.8Confident48 Ų4854 Ų5422%0.22426%0.259CS..SBendtrans-112.612.4-179.6-60.6-52.6-6000112.2L8 H29 I33 N54L8-Q31 HydrophobicContact CD1-CG 4.41Å; L8-Q31 HydrophobicContact CD2-CB 4.2Å; L8-Q31 HydrophobicContact CD2-CG 4.28Å; H29-Q31 VanDerWaalsContact C-N 3.34Å; H29-Q31 WeakPolarHBondContact O-CG 3.41Å; H29-Q31 PolarHBondContact O-N 3.2Å; H29-Q31 PolarHBondContact O-NE2 3.16Å; Q31-I33 HydrophobicContact CB-CD1 3.77Å; Q31-I33 HydrophobicContact CB-CG1 3.78Å; Q31-I33 PolarHBondContact O-N 3.39Å; Q31-N54 PolarHBondContact N-OD1 2.84Å
32D83.9Confident84.2Confident50 Ų5050.4 Ų50.427%0.26724%0.238SC..  trans52.833177.3-50.9-33.3000112.4H2 E34 N54 H234H2-D32 WeakPolarHBondContact CB-O 3.45Å; D32-E34 PolarHBondContact O-N 3.32Å; D32-N54 PolarHBondContact N-OD1 2.86Å; D32-N54 VanDerWaalsContact N-OD1 3.16Å; D32-H234 IonicContact OD1-CE1 3.45Å; D32-H234 PolarHBondContact OD1-CE1 3.39Å; D32-H234 IonicContact OD1-ND1 2.7Å; D32-H234 IonicContact OD1-NE2 3.48Å; D32-H234 PolarHBondContact OD1-NE2 3.47Å; D32-H234 IonicContact OD2-CE1 3.87Å; D32-H234 IonicContact OD2-NE2 2.76Å
33I87.6Confident84.3Confident0 Ų048.3 Ų48.30%022%0.223CC..  trans-69.2123.1-175.9-64.8159.2000108.7H2 V4 L8 L28 Q31 R35 L51 N54 L55 I56H2-I33 WeakPolarHBondContact O-CA 3.42Å; V4-I33 HydrophobicContact CG2-CD1 4Å; V4-I33 HydrophobicContact CG2-CG1 4.29Å; V4-I33 HydrophobicContact CG2-CG2 3.59Å; L8-I33 HydrophobicContact CD2-CD1 4.44Å; L28-I33 HydrophobicContact CB-CD1 3.91Å; L28-I33 HydrophobicContact CD1-CD1 4.43Å; Q31-I33 HydrophobicContact CB-CD1 3.77Å; Q31-I33 HydrophobicContact CB-CG1 3.78Å; Q31-I33 PolarHBondContact O-N 3.39Å; I33-R35 WeakPolarHBondContact CG2-O 3.31Å; I33-L51 HydrophobicContact CD1-CD2 3.86Å; I33-N54 HydrophobicContact CB-CB 4.05Å; I33-N54 PolarHBondContact N-OD1 3.47Å; I33-L55 CarbonylContact O-C 3.37Å; I33-L55 VanDerWaalsContact O-C 3.26Å; I33-L55 WeakPolarHBondContact O-CA 3.36Å; I33-L55 PolarHBondContact O-N 3.21Å; I33-I56 HydrophobicContact CB-CG1 4.37Å; I33-I56 HydrophobicContact CG2-CD1 4.2Å; I33-I56 HydrophobicContact CG2-CG1 3.98Å; I33-I56 WeakPolarHBondContact O-CG1 3.33Å; I33-I56 PolarHBondContact O-N 3.06Å
34E85.3Confident84.4Confident49 Ų4955.9 Ų55.923%0.22925%0.251CS..  trans-99.2-20.1176.4-69.3171.1-106.400111.9L1 H2 D32 L55 P57L1-E34 WeakPolarHBondContact CA-OE1 3.13Å; L1-E34 WeakPolarHBondContact CA-OE2 3.39Å; L1-E34 HydrophobicContact CD2-CB 4.02Å; L1-E34 WeakPolarHBondContact CD2-OE2 3.43Å; L1-E34 VanDerWaalsContact N-CD 3.26Å; L1-E34 PolarHBondContact N-OE1 3.2Å; L1-E34 PolarHBondContact N-OE2 3.03Å; H2-E34 PolarHBondContact N-OE1 3.29Å; H2-E34 PolarHBondContact O-N 3.49Å; D32-E34 PolarHBondContact O-N 3.32Å; E34-L55 HydrophobicContact CG-CB 4.16Å; E34-P57 WeakPolarHBondContact O-CD 3.5Å
35R84.8Confident84.4Confident88 Ų8854.8 Ų54.833%0.33225%0.246SC..BIsolated β-bridgetrans-144.8134.7179-58.6-166.880.9114.51.7112.6L1 V4 I33 E37 E60L1-R35 HydrophobicContact CD2-CG 4.47Å; V4-R35 PolarHBondContact N-O 3.42Å; I33-R35 WeakPolarHBondContact CG2-O 3.31Å; R35-E37 HydrophobicContact CB-CG 4.11Å; R35-E37 IonicContact NE-OE1 3.88Å; R35-E37 PolarHBondContact O-N 2.99Å; R35-E60 IonicContact CZ-OE1 3.6Å; R35-E60 VanDerWaalsContact CZ-OE1 3.29Å; R35-E60 IonicContact NE-OE1 2.86Å; R35-E60 PolarHBondContact NE-OE1 3.44Å; R35-E60 IonicContact NH2-OE1 3.5Å; R35-E60 PolarHBondContact NH2-OE1 3.01Å; R35-E60 IonicContact NH2-OE2 3.61Å; R35-E60 PolarHBondContact NH2-OE2 3.37Å
36I85.4Confident84.4Confident0 Ų049 Ų490%022%0.219CC..  trans-85104.1170.3-54.2173.5000107.5V39 L51 I56 E60 N61 V62 L73I36-V39 HydrophobicContact CG2-CB 4.2Å; I36-V39 HydrophobicContact CG2-CG2 3.66Å; I36-L51 HydrophobicContact CD1-CD1 3.76Å; I36-L51 HydrophobicContact CG1-CD1 4.18Å; I36-I56 HydrophobicContact CD1-CD1 4.04Å; I36-I56 HydrophobicContact CD1-CG2 4.05Å; I36-I56 HydrophobicContact CG1-CD1 3.79Å; I36-I56 HydrophobicContact CG1-CG1 4.34Å; I36-I56 HydrophobicContact CG1-CG2 4Å; I36-E60 WeakPolarHBondContact CB-O 3.47Å; I36-E60 WeakPolarHBondContact CG2-O 3.48Å; I36-N61 PolarHBondContact O-ND2 2.82Å; I36-V62 HydrophobicContact CD1-CG1 4.4Å; I36-V62 HydrophobicContact CG2-CG1 4.21Å; I36-L73 HydrophobicContact CD1-CD2 4.34Å
37E83.3Confident84.5Confident62 Ų6253.5 Ų53.529%0.2924%0.235SC..  trans-119.9141.3178.2-67.6-175.1177.200110.5P3 R35 V39 W42P3-E37 HydrophobicContact CB-CG 4.45Å; R35-E37 HydrophobicContact CB-CG 4.11Å; R35-E37 IonicContact NE-OE1 3.88Å; R35-E37 PolarHBondContact O-N 2.99Å; E37-V39 PolarHBondContact O-N 2.81Å; E37-W42 WeakPolarHBondContact O-CZ3 3.41Å
38H80.1Confident84.6Confident71 Ų7152.4 Ų52.433%0.32923%0.225SC..SBendtrans58.64.4170.1-55.7-62.6000118D40 R41 W42H38-D40 PolarHBondContact O-N 2.84Å; H38-R41 PolarHBondContact ND1-NE 2.86Å; H38-R41 WeakPolarHBondContact O-CB 3.45Å; H38-R41 PolarHBondContact O-N 3.25Å; H38-W42 HydrophobicContact CB-CD2 3.84Å; H38-W42 HydrophobicContact CB-CE3 3.84Å; H38-W42 HydrophobicContact CB-CH2 3.52Å; H38-W42 HydrophobicContact CB-CZ2 3.45Å; H38-W42 VanDerWaalsContact CB-CZ2 3.45Å; H38-W42 HydrophobicContact CB-CZ3 3.7Å; H38-W42 VanDerWaalsContact O-CD2 3.31Å; H38-W42 PolarHBondContact O-N 3.38Å; H38-W42 VanDerWaalsContact O-N 3.09Å
39V82.6Confident84.9Confident3 Ų352.4 Ų52.42%0.01823%0.225CC..Hα-helixtrans-56.5-38.4175.4-178.20000111.3V4 I36 E37 R41 W42 C43 L46 L49 L65V4-V39 HydrophobicContact CB-CG2 4.37Å; V4-V39 HydrophobicContact CG1-CG2 4.03Å; V4-V39 HydrophobicContact CG2-CG2 4.48Å; I36-V39 HydrophobicContact CG2-CB 4.2Å; I36-V39 HydrophobicContact CG2-CG2 3.66Å; E37-V39 PolarHBondContact O-N 2.81Å; V39-R41 PolarHBondContact O-N 2.69Å; V39-W42 PolarHBondContact O-N 3.36Å; V39-C43 PolarHBondContact O-N 2.89Å; V39-L46 HydrophobicContact CG1-CD2 4.43Å; V39-L49 HydrophobicContact CG1-CD2 4.31Å; V39-L65 HydrophobicContact CG1-CD1 4.16Å
40D80.4Confident85.1Confident8 Ų853.8 Ų53.84%0.04323%0.229CC..Hα-helixtrans-58.4-26.517470.9-49000114.6H38 N61 R64H38-D40 PolarHBondContact O-N 2.84Å; D40-N61 WeakPolarHBondContact CB-O 3.21Å; D40-N61 PolarHBondContact N-O 3.37Å; D40-R64 HydrophobicContact CB-CB 4.05Å; D40-R64 HydrophobicContact CB-CG 4.29Å; D40-R64 WeakPolarHBondContact OD2-CD 3.36Å; D40-R64 IonicContact OD2-CZ 3.42Å; D40-R64 IonicContact OD2-NE 2.88Å; D40-R64 IonicContact OD2-NH1 3.25Å; D40-R64 PolarHBondContact OD2-NH1 2.94Å
41R82.1Confident85.4Confident140 Ų14047.4 Ų47.453%0.52820%0.199SC..Hα-helixtrans-91.2-40.4180-60.1-175.1-154.6-153.57.7111.8H38 V39H38-R41 PolarHBondContact ND1-NE 2.86Å; H38-R41 WeakPolarHBondContact O-CB 3.45Å; H38-R41 PolarHBondContact O-N 3.25Å; V39-R41 PolarHBondContact O-N 2.69Å
42W79.6Confident85.7Confident37 Ų3748.4 Ų48.414%0.1420%0.204CC..Hα-helixtrans-78.2-44.6-172.9-62.1-41.8000112.6V4 E6 I9 I20 L21 E37 H38 V39V4-W42 HydrophobicContact CG1-CZ3 4.13Å; V4-W42 WeakPolarHBondContact O-CH2 3.17Å; V4-W42 WeakPolarHBondContact O-CZ3 3.12Å; E6-W42 HydrophobicContact CB-CD2 4.44Å; E6-W42 HydrophobicContact CB-CH2 4.14Å; E6-W42 HydrophobicContact CB-CZ2 3.67Å; E6-W42 HydrophobicContact CG-CD2 4.48Å; E6-W42 HydrophobicContact CG-CZ2 4.42Å; E6-W42 PolarHBondContact OE2-NE1 3.15Å; I9-W42 HydrophobicContact CD1-CD2 4.33Å; I9-W42 HydrophobicContact CD1-CE3 3.4Å; I9-W42 VanDerWaalsContact CD1-CE3 3.4Å; I9-W42 HydrophobicContact CD1-CZ3 3.9Å; I20-W42 CarbonylContact C-O 3.59Å; I20-W42 HydrophobicContact CD1-CB 4.13Å; I20-W42 HydrophobicContact CD1-CG 4.26Å; L21-W42 WeakPolarHBondContact CA-O 3.43Å; E37-W42 WeakPolarHBondContact O-CZ3 3.41Å; H38-W42 HydrophobicContact CB-CD2 3.84Å; H38-W42 HydrophobicContact CB-CE3 3.84Å; H38-W42 HydrophobicContact CB-CH2 3.52Å; H38-W42 HydrophobicContact CB-CZ2 3.45Å; H38-W42 VanDerWaalsContact CB-CZ2 3.45Å; H38-W42 HydrophobicContact CB-CZ3 3.7Å; H38-W42 VanDerWaalsContact O-CD2 3.31Å; H38-W42 PolarHBondContact O-N 3.38Å; H38-W42 VanDerWaalsContact O-N 3.09Å; V39-W42 PolarHBondContact O-N 3.36Å
43C80.8Confident86Confident0 Ų049.1 Ų49.10%021%0.207CC..  trans-119.971.5-169.6-56.50000111.1I20 V39 E45 L46 L65I20-C43 PolarHBondContact O-SG 3.47Å; V39-C43 PolarHBondContact O-N 2.89Å; C43-E45 VanDerWaalsContact C-N 3.3Å; C43-E45 PolarHBondContact O-N 3.15Å; C43-L46 HydrophobicContact CB-CB 4Å; C43-L46 HydrophobicContact CB-CD1 4.34Å; C43-L46 HydrophobicContact CB-CD2 4.32Å; C43-L46 HydrophobicContact CB-CG 4.48Å; C43-L46 WeakPolarHBondContact O-CB 3.45Å; C43-L46 PolarHBondContact O-N 3.1Å; C43-L65 WeakPolarHBondContact O-CD2 3.46Å
44R82.4Confident86.1Confident168 Ų16849.2 Ų49.263%0.63421%0.208SC*.THydrogen-bonded Turntrans-70.6-26.7-177-70-174.6176.8-178.60.7114L46R44-L46 VanDerWaalsContact C-N 3.3Å
45E84.6Confident86.3Confident73 Ų7347.6 Ų47.634%0.34120%0.201SC..THydrogen-bonded Turntrans-91.67.2-177.4-66.3-65.4133.100112.8L23 C43 R47 K67L23-E45 CarbonylContact O-C 3.58Å; C43-E45 VanDerWaalsContact C-N 3.3Å; C43-E45 PolarHBondContact O-N 3.15Å; E45-R47 PolarHBondContact O-N 2.95Å; E45-K67 IonicContact OE1-NZ 2.51Å; E45-K67 PolarHBondContact OE1-NZ 3.01Å; E45-K67 WeakPolarHBondContact OE2-CD 3.39Å; E45-K67 WeakPolarHBondContact OE2-CE 3.44Å; E45-K67 IonicContact OE2-NZ 3.15Å; E45-K67 PolarHBondContact OE2-NZ 3.43Å
46L88.4Confident86.5Confident0 Ų043.4 Ų43.40%019%0.185CC..  trans-64.6128.2-175.2-16369.8000112.1L23 V26 V39 C43 R44 L49 L65 K67 L68L23-L46 HydrophobicContact CD2-CD1 4.03Å; L23-L46 WeakPolarHBondContact O-CA 3.22Å; L23-L46 PolarHBondContact O-N 2.87Å; V26-L46 HydrophobicContact CB-CD1 3.94Å; V26-L46 HydrophobicContact CG2-CD1 3.51Å; V26-L46 HydrophobicContact CG2-CD2 4.47Å; V39-L46 HydrophobicContact CG1-CD2 4.43Å; C43-L46 HydrophobicContact CB-CB 4Å; C43-L46 HydrophobicContact CB-CD1 4.34Å; C43-L46 HydrophobicContact CB-CD2 4.32Å; C43-L46 HydrophobicContact CB-CG 4.48Å; C43-L46 WeakPolarHBondContact O-CB 3.45Å; C43-L46 PolarHBondContact O-N 3.1Å; R44-L46 VanDerWaalsContact C-N 3.3Å; L46-L49 HydrophobicContact CD2-CB 3.76Å; L46-L49 HydrophobicContact CD2-CD1 4.02Å; L46-L49 HydrophobicContact CD2-CD2 4.13Å; L46-L49 HydrophobicContact CD2-CG 4.18Å; L46-L65 HydrophobicContact CB-CD2 4.48Å; L46-L65 HydrophobicContact CD2-CD1 4.45Å; L46-K67 CarbonylContact O-C 3.25Å; L46-L68 HydrophobicContact CD2-CD1 4.18Å; L46-L68 HydrophobicContact CG-CD1 4.21Å; L46-L68 WeakPolarHBondContact O-CA 3.4Å; L46-L68 PolarHBondContact O-N 3.15Å
47R91.1Very high86.5Confident100 Ų10045.9 Ų45.938%0.37720%0.201SC..  trans-106.4-36.7176.6-63.717665.9-167.7-2.6111.9E24 E45 K67 E69 Y70E24-R47 HydrophobicContact CB-CG 4.43Å; E24-R47 WeakPolarHBondContact O-CA 3.36Å; E24-R47 PolarHBondContact O-N 3.27Å; E24-R47 VanDerWaalsContact OE2-CD 3.23Å; E24-R47 WeakPolarHBondContact OE2-CD 3.39Å; E24-R47 IonicContact OE2-CZ 3.54Å; E24-R47 IonicContact OE2-NE 3.53Å; E24-R47 IonicContact OE2-NH1 2.83Å; E24-R47 PolarHBondContact OE2-NH1 2.75Å; E45-R47 PolarHBondContact O-N 2.95Å; R47-K67 WeakPolarHBondContact CA-O 3.34Å; R47-E69 IonicContact CZ-OE2 2.97Å; R47-E69 IonicContact NE-OE2 3.88Å; R47-E69 PolarHBondContact NE-OE2 2.99Å; R47-E69 IonicContact NH2-OE2 3.76Å; R47-E69 PolarHBondContact NH2-OE2 3.37Å; R47-E69 PolarHBondContact O-N 2.75Å; R47-Y70 PolarHBondContact O-N 2.98Å
48I92Very high86.7Confident32 Ų3250.4 Ų50.416%0.16422%0.215CC..EExtended strand (participates in β ladder)trans-128.2124.4-178.4-51.5-175000110.2E24 E25 V26 Y50 Y70E24-I48 PolarHBondContact O-N 3.22Å; E25-I48 WeakPolarHBondContact CA-O 3.5Å; E25-I48 HydrophobicContact CB-CB 4.35Å; E25-I48 HydrophobicContact CG-CB 4.02Å; E25-I48 HydrophobicContact CG-CD1 4.14Å; E25-I48 HydrophobicContact CG-CG1 4.15Å; E25-I48 WeakPolarHBondContact OE1-CD1 3.34Å; V26-I48 PolarHBondContact N-O 2.91Å; I48-Y50 HydrophobicContact CG2-CD2 3.77Å; I48-Y50 HydrophobicContact CG2-CE1 4.35Å; I48-Y50 HydrophobicContact CG2-CE2 3.34Å; I48-Y50 HydrophobicContact CG2-CG 4.41Å; I48-Y70 WeakPolarHBondContact CA-O 3.49Å; I48-Y70 HydrophobicContact CG2-CD1 3.68Å; I48-Y70 HydrophobicContact CG2-CG 4.29Å
49L91.8Very high87.1Confident0 Ų047 Ų470%020%0.2CC..EExtended strand (participates in β ladder)trans-123.6121.5176.6-177.153.8000111.1V26 L28 V39 L46 L51 L68 Y70 L71 N72V26-L49 HydrophobicContact CB-CD1 3.96Å; V26-L49 HydrophobicContact CG1-CD1 3.93Å; L28-L49 HydrophobicContact CD1-CD1 4.49Å; V39-L49 HydrophobicContact CG1-CD2 4.31Å; L46-L49 HydrophobicContact CD2-CB 3.76Å; L46-L49 HydrophobicContact CD2-CD1 4.02Å; L46-L49 HydrophobicContact CD2-CD2 4.13Å; L46-L49 HydrophobicContact CD2-CG 4.18Å; L49-L51 HydrophobicContact CD1-CD1 4.21Å; L49-L51 HydrophobicContact CD1-CG 4.03Å; L49-L51 HydrophobicContact CD2-CD1 3.72Å; L49-L51 HydrophobicContact CD2-CG 4.41Å; L49-L51 HydrophobicContact CG-CD1 3.82Å; L49-L51 HydrophobicContact CG-CG 3.99Å; L49-L68 HydrophobicContact CB-CD1 3.79Å; L49-Y70 PolarHBondContact N-O 2.81Å; L49-L71 HydrophobicContact CB-CD1 3.91Å; L49-L71 HydrophobicContact CD2-CD1 3.85Å; L49-L71 HydrophobicContact CG-CD1 3.94Å; L49-N72 PolarHBondContact O-N 3.01Å
50Y92.8Very high87.3Confident66 Ų6648.8 Ų48.826%0.25921%0.208SC..EExtended strand (participates in β ladder)trans-113.1103.5-174.4-85.5-52.8000109.4V26 L28 H29 I48 Y70 N72V26-Y50 WeakPolarHBondContact O-CB 3.31Å; V26-Y50 PolarHBondContact O-N 3.04Å; L28-Y50 CarbonylContact C-O 3.59Å; L28-Y50 WeakPolarHBondContact CA-O 3.41Å; L28-Y50 PolarHBondContact N-O 2.99Å; H29-Y50 WeakPolarHBondContact CE1-CB 3.39Å; H29-Y50 AromaticContact CE1-CD1 3.52Å; H29-Y50 AromaticContact CE1-CG 3.54Å; H29-Y50 WeakPolarHBondContact NE2-CB 3.36Å; H29-Y50 AromaticContact NE2-CD1 3.7Å; H29-Y50 AromaticContact NE2-CG 3.53Å; I48-Y50 HydrophobicContact CG2-CD2 3.77Å; I48-Y50 HydrophobicContact CG2-CE1 4.35Å; I48-Y50 HydrophobicContact CG2-CE2 3.34Å; I48-Y50 HydrophobicContact CG2-CG 4.41Å; Y50-Y70 HydrophobicContact CD1-CE1 4.4Å; Y50-Y70 HydrophobicContact CE1-CD1 4.16Å; Y50-Y70 AromaticContact CE1-CE1 3.47Å; Y50-Y70 HydrophobicContact CE1-CE1 3.47Å; Y50-Y70 VanDerWaalsContact CE1-CE1 3.47Å; Y50-Y70 AromaticContact CZ-CE1 3.83Å; Y50-N72 HydrophobicContact CD1-CB 3.85Å; Y50-N72 HydrophobicContact CE1-CB 4.36Å
51L90.9Very high87.5Confident1 Ų151.4 Ų51.41%0.00522%0.222CC..  trans-121.626-177.5-75.4167000112L28 I33 I36 L49 N54 I56 N72 L73 N76L28-L51 HydrophobicContact CB-CD2 3.72Å; L28-L51 HydrophobicContact CD1-CD2 3.97Å; I33-L51 HydrophobicContact CD1-CD2 3.86Å; I36-L51 HydrophobicContact CD1-CD1 3.76Å; I36-L51 HydrophobicContact CG1-CD1 4.18Å; L49-L51 HydrophobicContact CD1-CD1 4.21Å; L49-L51 HydrophobicContact CD1-CG 4.03Å; L49-L51 HydrophobicContact CD2-CD1 3.72Å; L49-L51 HydrophobicContact CD2-CG 4.41Å; L49-L51 HydrophobicContact CG-CD1 3.82Å; L49-L51 HydrophobicContact CG-CG 3.99Å; L51-N54 VanDerWaalsContact C-ND2 3.27Å; L51-N54 PolarHBondContact O-ND2 3.43Å; L51-I56 HydrophobicContact CB-CD1 4.12Å; L51-I56 HydrophobicContact CD1-CD1 4.15Å; L51-I56 HydrophobicContact CD2-CD1 4.14Å; L51-I56 HydrophobicContact CG-CD1 4.39Å; L51-N72 CarbonylContact C-O 3.58Å; L51-N72 WeakPolarHBondContact CA-O 3.31Å; L51-N72 WeakPolarHBondContact CB-O 3.22Å; L51-N72 PolarHBondContact N-O 2.67Å; L51-L73 HydrophobicContact CB-CD2 3.72Å; L51-L73 HydrophobicContact CD1-CD2 3.77Å; L51-L73 HydrophobicContact CG-CD2 4.42Å; L51-N76 PolarHBondContact O-ND2 2.79Å
52Q90.9Very high87.6Confident68 Ų6844.7 Ų44.732%0.31820%0.197SC..  trans-64.8144.7-176.794.2-149.5-19.100113.2H29 Q30 N72 A74H29-Q52 WeakPolarHBondContact CA-O 3.28Å; H29-Q52 HydrophobicContact CB-CG 4.15Å; H29-Q52 PolarHBondContact CD2-NE2 2.69Å; H29-Q52 VanDerWaalsContact CE1-CG 3.48Å; H29-Q52 WeakPolarHBondContact CE1-CG 3.43Å; H29-Q52 PolarHBondContact CE1-NE2 3.23Å; H29-Q52 PolarHBondContact CE1-OE1 2.86Å; H29-Q52 VanDerWaalsContact CE1-OE1 3.32Å; H29-Q52 VanDerWaalsContact CG-NE2 3.26Å; H29-Q52 WeakPolarHBondContact ND1-CG 3.41Å; H29-Q52 PolarHBondContact ND1-N 3.4Å; H29-Q52 PolarHBondContact ND1-NE2 3.14Å; H29-Q52 PolarHBondContact NE2-NE2 2.88Å; H29-Q52 VanDerWaalsContact NE2-NE2 3.11Å; Q30-Q52 PolarHBondContact N-O 3.35Å; Q52-N72 PolarHBondContact OE1-ND2 3.35Å; Q52-N72 VanDerWaalsContact OE1-ND2 3.17Å; Q52-A74 CarbonylContact C-O 3.52Å; Q52-A74 VanDerWaalsContact CA-O 3.27Å; Q52-A74 WeakPolarHBondContact CA-O 3.4Å; Q52-A74 HydrophobicContact CB-CB 4.28Å
53N89.3Confident87.7Confident65 Ų6544.3 Ų44.335%0.34820%0.204SC..SBendtrans55.758178.4-165.581.1000112.7Q30 A74 L75Q30-N53 WeakPolarHBondContact CA-O 3.42Å; Q30-N53 HydrophobicContact CG-CB 4.07Å; Q30-N53 PolarHBondContact N-O 3.24Å; N53-A74 PolarHBondContact N-O 3.16Å; N53-L75 WeakPolarHBondContact CA-O 3.41Å; N53-L75 HydrophobicContact CB-CB 4.28Å; N53-L75 HydrophobicContact CB-CD1 4.36Å
54N90.6Very high87.9Confident3 Ų352.4 Ų52.42%0.01623%0.234CC..  trans-125.1-173.2170.3-69.8-65.3000109.1L28 Q31 D32 I33 L51 I56 L75 N76L28-N54 PolarHBondContact O-ND2 3.02Å; Q31-N54 PolarHBondContact N-OD1 2.84Å; D32-N54 PolarHBondContact N-OD1 2.86Å; D32-N54 VanDerWaalsContact N-OD1 3.16Å; I33-N54 HydrophobicContact CB-CB 4.05Å; I33-N54 PolarHBondContact N-OD1 3.47Å; L51-N54 VanDerWaalsContact C-ND2 3.27Å; L51-N54 PolarHBondContact O-ND2 3.43Å; N54-I56 HydrophobicContact CB-CD1 4.14Å; N54-I56 HydrophobicContact CB-CG1 4.09Å; N54-L75 PolarHBondContact N-O 3.13Å; N54-L75 VanDerWaalsContact O-O 3.07Å; N54-N76 WeakPolarHBondContact CA-OD1 3.16Å; N54-N76 WeakPolarHBondContact CB-OD1 3.42Å; N54-N76 PolarHBondContact O-OD1 3.46Å
55L88.5Confident88.2Confident15 Ų1544.4 Ų44.48%0.07920%0.204CC..  trans-115.330.4-173.3-59.6169000111.5I33 E34 P57 R230 L231 H234I33-L55 CarbonylContact O-C 3.37Å; I33-L55 VanDerWaalsContact O-C 3.26Å; I33-L55 WeakPolarHBondContact O-CA 3.36Å; I33-L55 PolarHBondContact O-N 3.21Å; E34-L55 HydrophobicContact CG-CB 4.16Å; L55-P57 VanDerWaalsContact O-CD 3.28Å; L55-P57 WeakPolarHBondContact O-CD 3.16Å; L55-R230 HydrophobicContact CD2-CG 4.43Å; L55-L231 HydrophobicContact CB-CD2 3.93Å; L55-L231 HydrophobicContact CD1-CD2 3.95Å; L55-L231 HydrophobicContact CD2-CD2 4.17Å; L55-L231 HydrophobicContact CG-CD2 4.22Å; L55-H234 HydrophobicContact CD1-CB 4.09Å; L55-H234 HydrophobicContact CD2-CB 4.3Å
56I89.5Confident88.3Confident0 Ų046.6 Ų46.60%021%0.212CC..  trans-72.3116.8-171.6-58.8166.3000109.4I33 I36 L51 N54 R58 L73 N76 N77 I78I33-I56 HydrophobicContact CB-CG1 4.37Å; I33-I56 HydrophobicContact CG2-CD1 4.2Å; I33-I56 HydrophobicContact CG2-CG1 3.98Å; I33-I56 WeakPolarHBondContact O-CG1 3.33Å; I33-I56 PolarHBondContact O-N 3.06Å; I36-I56 HydrophobicContact CD1-CD1 4.04Å; I36-I56 HydrophobicContact CD1-CG2 4.05Å; I36-I56 HydrophobicContact CG1-CD1 3.79Å; I36-I56 HydrophobicContact CG1-CG1 4.34Å; I36-I56 HydrophobicContact CG1-CG2 4Å; L51-I56 HydrophobicContact CB-CD1 4.12Å; L51-I56 HydrophobicContact CD1-CD1 4.15Å; L51-I56 HydrophobicContact CD2-CD1 4.14Å; L51-I56 HydrophobicContact CG-CD1 4.39Å; N54-I56 HydrophobicContact CB-CD1 4.14Å; N54-I56 HydrophobicContact CB-CG1 4.09Å; I56-R58 WeakPolarHBondContact CG2-O 3.32Å; I56-L73 HydrophobicContact CD1-CD2 4.13Å; I56-N76 HydrophobicContact CB-CB 4.43Å; I56-N76 WeakPolarHBondContact CB-OD1 3.44Å; I56-N76 WeakPolarHBondContact CG1-OD1 3.22Å; I56-N76 PolarHBondContact N-OD1 2.94Å; I56-N77 CarbonylContact O-C 3.28Å; I56-N77 VanDerWaalsContact O-CA 3.26Å; I56-N77 WeakPolarHBondContact O-CA 3.25Å; I56-N77 WeakPolarHBondContact O-CB 3.03Å; I56-N77 PolarHBondContact O-N 3.11Å; I56-I78 PolarHBondContact O-N 3.38Å
57P85.3Confident88.4Confident51 Ų5151 Ų5133%0.33123%0.232SC..  trans-83.7-26.5-176.632.4-33000112.9E34 L55 N77 I78E34-P57 WeakPolarHBondContact O-CD 3.5Å; L55-P57 VanDerWaalsContact O-CD 3.28Å; L55-P57 WeakPolarHBondContact O-CD 3.16Å; P57-N77 WeakPolarHBondContact CA-O 3.44Å; P57-I78 WeakPolarHBondContact O-CA 3.36Å
58R86.8Confident88.5Confident157 Ų15746.3 Ų46.359%0.59221%0.214SC*.SBendtrans-146146.3-176.6-63.9-170.5-175.3-1740.5111.1I56 E60I56-R58 WeakPolarHBondContact CG2-O 3.32Å; R58-E60 PolarHBondContact O-N 3.11Å
59I88.4Confident88.6Confident0 Ų046.7 Ų46.70%022%0.215CC..  trans-82.1113.4173.9-54.9176.3000107.5V62 L73 I78 N83 L84 L95I59-V62 HydrophobicContact CG2-CG2 3.42Å; I59-V62 VanDerWaalsContact CG2-CG2 3.42Å; I59-L73 HydrophobicContact CD1-CD1 3.76Å; I59-L73 HydrophobicContact CG1-CD1 3.94Å; I59-I78 HydrophobicContact CD1-CD1 4.1Å; I59-I78 HydrophobicContact CD1-CG2 4.22Å; I59-I78 HydrophobicContact CG1-CD1 3.8Å; I59-I78 HydrophobicContact CG1-CG1 4.24Å; I59-I78 HydrophobicContact CG1-CG2 4.1Å; I59-N83 WeakPolarHBondContact O-CB 3.14Å; I59-N83 PolarHBondContact O-ND2 3.24Å; I59-L84 HydrophobicContact CD1-CD1 3.98Å; I59-L84 HydrophobicContact CD1-CG 4.47Å; I59-L84 HydrophobicContact CG2-CD2 3.97Å; I59-L84 HydrophobicContact CG2-CG 4.16Å; I59-L95 HydrophobicContact CD1-CD2 4.32Å
60E87Confident88.7Confident41 Ų4148.4 Ų48.419%0.19222%0.222CC..  trans-138.7159177.557.8-177.3-178.500110.1R35 I36 R58 V62R35-E60 IonicContact CZ-OE1 3.6Å; R35-E60 VanDerWaalsContact CZ-OE1 3.29Å; R35-E60 IonicContact NE-OE1 2.86Å; R35-E60 PolarHBondContact NE-OE1 3.44Å; R35-E60 IonicContact NH2-OE1 3.5Å; R35-E60 PolarHBondContact NH2-OE1 3.01Å; R35-E60 IonicContact NH2-OE2 3.61Å; R35-E60 PolarHBondContact NH2-OE2 3.37Å; I36-E60 WeakPolarHBondContact CB-O 3.47Å; I36-E60 WeakPolarHBondContact CG2-O 3.48Å; R58-E60 PolarHBondContact O-N 3.11Å; E60-V62 VanDerWaalsContact C-N 3.25Å; E60-V62 PolarHBondContact O-N 2.7Å; E60-V62 VanDerWaalsContact O-N 3.12Å
61N84.3Confident88.8Confident62 Ų6245.2 Ų45.233%0.33221%0.209SC..SBendtrans56.129.5175.2-54-59.3000116.1I36 D40I36-N61 PolarHBondContact O-ND2 2.82Å; D40-N61 WeakPolarHBondContact CB-O 3.21Å; D40-N61 PolarHBondContact N-O 3.37Å
62V85.1Confident89Confident0 Ų045.5 Ų45.50%021%0.211CC..  trans-110.5-17.8172-67.50000113.2I36 I59 E60 R64 L65 L84 C87I36-V62 HydrophobicContact CD1-CG1 4.4Å; I36-V62 HydrophobicContact CG2-CG1 4.21Å; I59-V62 HydrophobicContact CG2-CG2 3.42Å; I59-V62 VanDerWaalsContact CG2-CG2 3.42Å; E60-V62 VanDerWaalsContact C-N 3.25Å; E60-V62 PolarHBondContact O-N 2.7Å; E60-V62 VanDerWaalsContact O-N 3.12Å; V62-R64 PolarHBondContact O-N 3.05Å; V62-L65 HydrophobicContact CB-CD1 4.17Å; V62-L65 HydrophobicContact CG1-CD1 4.28Å; V62-L65 VanDerWaalsContact O-CB 3.32Å; V62-L65 WeakPolarHBondContact O-CB 3.33Å; V62-L65 WeakPolarHBondContact O-CG 3.46Å; V62-L65 PolarHBondContact O-N 3.09Å; V62-L84 HydrophobicContact CG2-CD2 3.71Å; V62-C87 PolarHBondContact O-SG 3.46Å
63G82.3Confident89.1Confident28 Ų2842.3 Ų42.329%0.28920%0.196SC..THydrogen-bonded Turntrans-64.7-7.1-171.600000116.6G86G63-G86 CarbonylContact O-C 3.09Å; G63-G86 VanDerWaalsContact O-C 3.28Å; G63-G86 WeakPolarHBondContact O-CA 3.49Å
64R84.7Confident89.3Confident171 Ų17139.5 Ų39.565%0.64518%0.182SC*.THydrogen-bonded Turntrans-97.8-1.2173.7-50.1-176.3173.6147.6-10.4113.5D40 V62 K66D40-R64 HydrophobicContact CB-CB 4.05Å; D40-R64 HydrophobicContact CB-CG 4.29Å; D40-R64 WeakPolarHBondContact OD2-CD 3.36Å; D40-R64 IonicContact OD2-CZ 3.42Å; D40-R64 IonicContact OD2-NE 2.88Å; D40-R64 IonicContact OD2-NH1 3.25Å; D40-R64 PolarHBondContact OD2-NH1 2.94Å; V62-R64 PolarHBondContact O-N 3.05Å; R64-K66 VanDerWaalsContact C-N 3.32Å; R64-K66 PolarHBondContact O-N 3.37Å
65L87.8Confident89.3Confident0 Ų042.8 Ų42.80%020%0.199CC..  trans-80.777.6-178.4-59.1174.6000110.4V39 C43 L46 V62 K67 L68V39-L65 HydrophobicContact CG1-CD1 4.16Å; C43-L65 WeakPolarHBondContact O-CD2 3.46Å; L46-L65 HydrophobicContact CB-CD2 4.48Å; L46-L65 HydrophobicContact CD2-CD1 4.45Å; V62-L65 HydrophobicContact CB-CD1 4.17Å; V62-L65 HydrophobicContact CG1-CD1 4.28Å; V62-L65 VanDerWaalsContact O-CB 3.32Å; V62-L65 WeakPolarHBondContact O-CB 3.33Å; V62-L65 WeakPolarHBondContact O-CG 3.46Å; V62-L65 PolarHBondContact O-N 3.09Å; L65-K67 VanDerWaalsContact C-N 3.26Å; L65-K67 PolarHBondContact O-N 3.29Å; L65-L68 HydrophobicContact CB-CB 3.89Å; L65-L68 HydrophobicContact CB-CD2 4.39Å; L65-L68 HydrophobicContact CD1-CD2 4.16Å; L65-L68 WeakPolarHBondContact O-CB 3.43Å; L65-L68 PolarHBondContact O-N 2.96Å
66K87.6Confident89.4Confident118 Ų11842.1 Ų42.151%0.51320%0.195SC..THydrogen-bonded Turntrans-64.5-28.7-174.7-63.7-166.4171.4-133.80114.1R64 E88 S89R64-K66 VanDerWaalsContact C-N 3.32Å; R64-K66 PolarHBondContact O-N 3.37Å; K66-E88 IonicContact NZ-OE1 2.88Å; K66-E88 PolarHBondContact NZ-OE1 3.09Å; K66-S89 WeakPolarHBondContact O-CB 3.13Å; K66-S89 PolarHBondContact O-N 3.21Å; K66-S89 PolarHBondContact O-OG 3.32Å
67K89.7Confident89.4Confident94 Ų9442.1 Ų42.141%0.40920%0.196SC..THydrogen-bonded Turntrans-91.6-2.5-177.4-69.3-178.5172.6171.90113.5E45 L46 R47 L65 E69E45-K67 IonicContact OE1-NZ 2.51Å; E45-K67 PolarHBondContact OE1-NZ 3.01Å; E45-K67 WeakPolarHBondContact OE2-CD 3.39Å; E45-K67 WeakPolarHBondContact OE2-CE 3.44Å; E45-K67 IonicContact OE2-NZ 3.15Å; E45-K67 PolarHBondContact OE2-NZ 3.43Å; L46-K67 CarbonylContact O-C 3.25Å; R47-K67 WeakPolarHBondContact CA-O 3.34Å; L65-K67 VanDerWaalsContact C-N 3.26Å; L65-K67 PolarHBondContact O-N 3.29Å; K67-E69 WeakPolarHBondContact O-CG 3.4Å; K67-E69 PolarHBondContact O-N 3.13Å; K67-E69 VanDerWaalsContact O-N 3.14Å
68L92.8Very high89.7Confident0 Ų039.7 Ų39.70%018%0.18CC..  trans-66114.9-177.9-169.570.8000109.8L46 L49 L65 L71 S89 L90L46-L68 HydrophobicContact CD2-CD1 4.18Å; L46-L68 HydrophobicContact CG-CD1 4.21Å; L46-L68 WeakPolarHBondContact O-CA 3.4Å; L46-L68 PolarHBondContact O-N 3.15Å; L49-L68 HydrophobicContact CB-CD1 3.79Å; L65-L68 HydrophobicContact CB-CB 3.89Å; L65-L68 HydrophobicContact CB-CD2 4.39Å; L65-L68 HydrophobicContact CD1-CD2 4.16Å; L65-L68 WeakPolarHBondContact O-CB 3.43Å; L65-L68 PolarHBondContact O-N 2.96Å; L68-L71 HydrophobicContact CD2-CB 4.13Å; L68-L71 HydrophobicContact CD2-CD1 4.49Å; L68-L71 HydrophobicContact CD2-CD2 4.38Å; L68-S89 CarbonylContact O-C 3.37Å; L68-L90 HydrophobicContact CD2-CD1 4.25Å; L68-L90 HydrophobicContact CG-CD1 4.23Å; L68-L90 WeakPolarHBondContact O-CA 3.23Å; L68-L90 PolarHBondContact O-N 2.99Å
69E94.5Very high89.7Confident41 Ų4136.8 Ų36.819%0.19217%0.173CC..  trans-99-34.2179.5-56.4-163.8112.100111.6R47 K67 R91 K92R47-E69 IonicContact CZ-OE2 2.97Å; R47-E69 IonicContact NE-OE2 3.88Å; R47-E69 PolarHBondContact NE-OE2 2.99Å; R47-E69 IonicContact NH2-OE2 3.76Å; R47-E69 PolarHBondContact NH2-OE2 3.37Å; R47-E69 PolarHBondContact O-N 2.75Å; K67-E69 WeakPolarHBondContact O-CG 3.4Å; K67-E69 PolarHBondContact O-N 3.13Å; K67-E69 VanDerWaalsContact O-N 3.14Å; E69-R91 HydrophobicContact CB-CG 4.46Å; E69-R91 WeakPolarHBondContact O-CA 3.49Å; E69-R91 WeakPolarHBondContact O-CB 3.2Å; E69-R91 PolarHBondContact O-N 3.22Å; E69-R91 IonicContact OE1-CZ 3.44Å; E69-R91 IonicContact OE1-NE 3.99Å; E69-R91 PolarHBondContact OE1-NE 3.4Å; E69-R91 IonicContact OE1-NH2 3.15Å; E69-R91 PolarHBondContact OE1-NH2 3.3Å; E69-R91 VanDerWaalsContact OE1-NH2 3.15Å; E69-K92 PolarHBondContact O-N 2.93Å
70Y94.9Very high89.6Confident35 Ų3539 Ų3914%0.13719%0.186CC..EExtended strand (participates in β ladder)trans-133.2124.6-179.1-180-151.1000111.9R47 I48 L49 Y50 N72 K92 D94R47-Y70 PolarHBondContact O-N 2.98Å; I48-Y70 WeakPolarHBondContact CA-O 3.49Å; I48-Y70 HydrophobicContact CG2-CD1 3.68Å; I48-Y70 HydrophobicContact CG2-CG 4.29Å; L49-Y70 PolarHBondContact N-O 2.81Å; Y50-Y70 HydrophobicContact CD1-CE1 4.4Å; Y50-Y70 HydrophobicContact CE1-CD1 4.16Å; Y50-Y70 AromaticContact CE1-CE1 3.47Å; Y50-Y70 HydrophobicContact CE1-CE1 3.47Å; Y50-Y70 VanDerWaalsContact CE1-CE1 3.47Å; Y50-Y70 AromaticContact CZ-CE1 3.83Å; Y70-N72 HydrophobicContact CE1-CB 4.48Å; Y70-N72 HydrophobicContact CE2-CB 4.01Å; Y70-N72 PolarHBondContact OH-ND2 3.3Å; Y70-K92 WeakPolarHBondContact CA-O 3.14Å; Y70-K92 HydrophobicContact CD2-CB 3.6Å; Y70-K92 HydrophobicContact CD2-CD 3.62Å; Y70-K92 HydrophobicContact CD2-CG 3.46Å; Y70-K92 VanDerWaalsContact CD2-CG 3.46Å; Y70-K92 WeakPolarHBondContact CD2-O 3.33Å; Y70-K92 HydrophobicContact CE2-CB 4.23Å; Y70-K92 HydrophobicContact CE2-CD 3.54Å; Y70-K92 HydrophobicContact CE2-CG 3.55Å; Y70-K92 HydrophobicContact CG-CB 4.26Å; Y70-K92 HydrophobicContact CG-CD 4.21Å; Y70-K92 HydrophobicContact CG-CG 4.38Å; Y70-D94 HydrophobicContact CE2-CB 4.37Å
71L94.6Very high89.7Confident0 Ų037 Ų370%018%0.177CC..EExtended strand (participates in β ladder)trans-120.2117.7173.1-179.356.7000110.1L49 L68 L73 L84 L90 K92 L93 D94L49-L71 HydrophobicContact CB-CD1 3.91Å; L49-L71 HydrophobicContact CD2-CD1 3.85Å; L49-L71 HydrophobicContact CG-CD1 3.94Å; L68-L71 HydrophobicContact CD2-CB 4.13Å; L68-L71 HydrophobicContact CD2-CD1 4.49Å; L68-L71 HydrophobicContact CD2-CD2 4.38Å; L71-L73 HydrophobicContact CD1-CD1 4.17Å; L71-L73 HydrophobicContact CD1-CG 4.02Å; L71-L73 HydrophobicContact CD2-CD1 3.67Å; L71-L73 HydrophobicContact CD2-CG 4.4Å; L71-L73 HydrophobicContact CG-CD1 3.78Å; L71-L73 HydrophobicContact CG-CG 3.97Å; L71-L84 HydrophobicContact CD2-CD2 3.74Å; L71-L90 HydrophobicContact CB-CD1 3.91Å; L71-K92 PolarHBondContact N-O 3Å; L71-L93 HydrophobicContact CB-CD1 3.98Å; L71-L93 HydrophobicContact CD2-CD1 3.92Å; L71-L93 HydrophobicContact CG-CD1 3.97Å; L71-L93 WeakPolarHBondContact O-CA 3.34Å; L71-D94 PolarHBondContact O-N 3.26Å
72N94.9Very high89.9Confident7 Ų737 Ų374%0.03718%0.175CC..EExtended strand (participates in β ladder)trans-108.4110.3175.1-176.2-12.6000110.6L49 Y50 L51 Q52 Y70 A74 D94L49-N72 PolarHBondContact O-N 3.01Å; Y50-N72 HydrophobicContact CD1-CB 3.85Å; Y50-N72 HydrophobicContact CE1-CB 4.36Å; L51-N72 CarbonylContact C-O 3.58Å; L51-N72 WeakPolarHBondContact CA-O 3.31Å; L51-N72 WeakPolarHBondContact CB-O 3.22Å; L51-N72 PolarHBondContact N-O 2.67Å; Q52-N72 PolarHBondContact OE1-ND2 3.35Å; Q52-N72 VanDerWaalsContact OE1-ND2 3.17Å; Y70-N72 HydrophobicContact CE1-CB 4.48Å; Y70-N72 HydrophobicContact CE2-CB 4.01Å; Y70-N72 PolarHBondContact OH-ND2 3.3Å; N72-A74 VanDerWaalsContact OD1-CB 3.23Å; N72-A74 WeakPolarHBondContact OD1-CB 3.47Å; N72-A74 PolarHBondContact OD1-N 2.83Å; N72-D94 HydrophobicContact CB-CB 4.43Å
73L93.1Very high90Very high0 Ų040.7 Ų40.70%020%0.195CC..  trans-118.726.2177.4-71.9164.2000111.1I36 L51 I56 I59 L71 N76 I78 D94 L95 N98I36-L73 HydrophobicContact CD1-CD2 4.34Å; L51-L73 HydrophobicContact CB-CD2 3.72Å; L51-L73 HydrophobicContact CD1-CD2 3.77Å; L51-L73 HydrophobicContact CG-CD2 4.42Å; I56-L73 HydrophobicContact CD1-CD2 4.13Å; I59-L73 HydrophobicContact CD1-CD1 3.76Å; I59-L73 HydrophobicContact CG1-CD1 3.94Å; L71-L73 HydrophobicContact CD1-CD1 4.17Å; L71-L73 HydrophobicContact CD1-CG 4.02Å; L71-L73 HydrophobicContact CD2-CD1 3.67Å; L71-L73 HydrophobicContact CD2-CG 4.4Å; L71-L73 HydrophobicContact CG-CD1 3.78Å; L71-L73 HydrophobicContact CG-CG 3.97Å; L73-N76 VanDerWaalsContact C-ND2 3.31Å; L73-N76 WeakPolarHBondContact O-CB 3.35Å; L73-N76 PolarHBondContact O-ND2 2.68Å; L73-I78 HydrophobicContact CB-CD1 3.69Å; L73-I78 HydrophobicContact CD1-CD1 3.74Å; L73-I78 HydrophobicContact CD2-CD1 4.14Å; L73-I78 HydrophobicContact CG-CD1 4.07Å; L73-D94 CarbonylContact C-O 3.15Å; L73-D94 WeakPolarHBondContact CA-O 3.47Å; L73-D94 PolarHBondContact N-O 3.1Å; L73-L95 HydrophobicContact CB-CD2 3.84Å; L73-L95 HydrophobicContact CD1-CD2 4.1Å; L73-N98 PolarHBondContact O-ND2 2.8Å
74A93.1Very high90.3Very high7 Ų739.4 Ų39.46%0.05818%0.181CC..THydrogen-bonded Turntrans-56.6145.8176.700000112Q52 N53 N72 N76 D94 T96Q52-A74 CarbonylContact C-O 3.52Å; Q52-A74 VanDerWaalsContact CA-O 3.27Å; Q52-A74 WeakPolarHBondContact CA-O 3.4Å; Q52-A74 HydrophobicContact CB-CB 4.28Å; N53-A74 PolarHBondContact N-O 3.16Å; N72-A74 VanDerWaalsContact OD1-CB 3.23Å; N72-A74 WeakPolarHBondContact OD1-CB 3.47Å; N72-A74 PolarHBondContact OD1-N 2.83Å; A74-N76 PolarHBondContact O-N 2.96Å; A74-N76 PolarHBondContact O-ND2 3.39Å; A74-N76 VanDerWaalsContact O-ND2 3.09Å; A74-D94 PolarHBondContact N-O 3.06Å; A74-T96 CarbonylContact C-O 3.51Å; A74-T96 WeakPolarHBondContact CA-O 3.34Å; A74-T96 WeakPolarHBondContact CB-OG1 3.33Å
75L90Very high90.4Very high72 Ų7236.4 Ų36.438%0.37718%0.175SC..THydrogen-bonded Turntrans55.548.7177.9-62.3163000112.9N53 N54 T96 V97N53-L75 WeakPolarHBondContact CA-O 3.41Å; N53-L75 HydrophobicContact CB-CB 4.28Å; N53-L75 HydrophobicContact CB-CD1 4.36Å; N54-L75 PolarHBondContact N-O 3.13Å; N54-L75 VanDerWaalsContact O-O 3.07Å; L75-T96 PolarHBondContact N-O 3.35Å; L75-V97 HydrophobicContact CD2-CB 3.67Å; L75-V97 HydrophobicContact CD2-CG1 3.66Å; L75-V97 HydrophobicContact CD2-CG2 4.2Å; L75-V97 HydrophobicContact CG-CB 4.38Å
76N92.2Very high90.2Very high0 Ų037.7 Ų37.70%019%0.187CC..SBendtrans-119.4179.4174.7-81.7-82.7000111.7L51 N54 I56 L73 A74 I78 N98 R230L51-N76 PolarHBondContact O-ND2 2.79Å; N54-N76 WeakPolarHBondContact CA-OD1 3.16Å; N54-N76 WeakPolarHBondContact CB-OD1 3.42Å; N54-N76 PolarHBondContact O-OD1 3.46Å; I56-N76 HydrophobicContact CB-CB 4.43Å; I56-N76 WeakPolarHBondContact CB-OD1 3.44Å; I56-N76 WeakPolarHBondContact CG1-OD1 3.22Å; I56-N76 PolarHBondContact N-OD1 2.94Å; L73-N76 VanDerWaalsContact C-ND2 3.31Å; L73-N76 WeakPolarHBondContact O-CB 3.35Å; L73-N76 PolarHBondContact O-ND2 2.68Å; A74-N76 PolarHBondContact O-N 2.96Å; A74-N76 PolarHBondContact O-ND2 3.39Å; A74-N76 VanDerWaalsContact O-ND2 3.09Å; N76-I78 VanDerWaalsContact C-N 3.35Å; N76-I78 HydrophobicContact CB-CD1 4.16Å; N76-I78 HydrophobicContact CB-CG1 4.14Å; N76-N98 VanDerWaalsContact CA-OD1 3.29Å; N76-N98 WeakPolarHBondContact CA-OD1 3.48Å; N76-N98 WeakPolarHBondContact CB-OD1 3.27Å; N76-N98 PolarHBondContact N-OD1 3.27Å; N76-N98 WeakPolarHBondContact O-CA 3.37Å; N76-N98 PolarHBondContact O-OD1 2.87Å; N76-R230 PolarHBondContact O-NH1 3.45Å
77N89.1Confident90.3Very high1 Ų132 Ų321%0.00516%0.163CC..  trans-97.823.7-174.9-71.636.9000113.1I56 P57 Q79 F99 P227 R230I56-N77 CarbonylContact O-C 3.28Å; I56-N77 VanDerWaalsContact O-CA 3.26Å; I56-N77 WeakPolarHBondContact O-CA 3.25Å; I56-N77 WeakPolarHBondContact O-CB 3.03Å; I56-N77 PolarHBondContact O-N 3.11Å; P57-N77 WeakPolarHBondContact CA-O 3.44Å; N77-Q79 PolarHBondContact O-N 3.44Å; N77-F99 HydrophobicContact CB-CD2 4.38Å; N77-F99 HydrophobicContact CB-CE2 4.38Å; N77-P227 HydrophobicContact CB-CB 4.28Å; N77-P227 PolarHBondContact ND2-O 3.13Å; N77-R230 VanDerWaalsContact OD1-CD 3.26Å; N77-R230 WeakPolarHBondContact OD1-CD 3.41Å; N77-R230 PolarHBondContact OD1-NH1 2.93Å
78I90.2Very high90.2Very high0 Ų032.5 Ų32.50%017%0.166CC..  trans-71.5124.3-170.9-59.7165.1000110I56 P57 I59 L73 N76 V80 L95 N98 F99 V100I56-I78 PolarHBondContact O-N 3.38Å; P57-I78 WeakPolarHBondContact O-CA 3.36Å; I59-I78 HydrophobicContact CD1-CD1 4.1Å; I59-I78 HydrophobicContact CD1-CG2 4.22Å; I59-I78 HydrophobicContact CG1-CD1 3.8Å; I59-I78 HydrophobicContact CG1-CG1 4.24Å; I59-I78 HydrophobicContact CG1-CG2 4.1Å; L73-I78 HydrophobicContact CB-CD1 3.69Å; L73-I78 HydrophobicContact CD1-CD1 3.74Å; L73-I78 HydrophobicContact CD2-CD1 4.14Å; L73-I78 HydrophobicContact CG-CD1 4.07Å; N76-I78 VanDerWaalsContact C-N 3.35Å; N76-I78 HydrophobicContact CB-CD1 4.16Å; N76-I78 HydrophobicContact CB-CG1 4.14Å; I78-V80 WeakPolarHBondContact CG2-O 3.44Å; I78-L95 HydrophobicContact CD1-CD2 3.59Å; I78-N98 HydrophobicContact CB-CB 4.33Å; I78-N98 WeakPolarHBondContact CB-OD1 3.31Å; I78-N98 WeakPolarHBondContact CG1-OD1 3.32Å; I78-N98 PolarHBondContact N-OD1 3.13Å; I78-F99 CarbonylContact O-C 3.5Å; I78-F99 WeakPolarHBondContact O-CA 3.36Å; I78-F99 PolarHBondContact O-N 3.08Å; I78-V100 HydrophobicContact CG2-CG2 4.26Å; I78-V100 PolarHBondContact O-N 2.93Å; I78-V100 VanDerWaalsContact O-N 3.12Å
79Q86.8Confident90.2Very high96 Ų9634.4 Ų34.445%0.44918%0.18SC..  trans-101.6-27.7179.2-65.2175.442.300113.6N77 F99 V100 G101 P227N77-Q79 PolarHBondContact O-N 3.44Å; Q79-F99 WeakPolarHBondContact CA-O 3.4Å; Q79-F99 HydrophobicContact CG-CB 4.19Å; Q79-V100 WeakPolarHBondContact O-CA 3.33Å; Q79-G101 PolarHBondContact O-N 3.46Å; Q79-P227 HydrophobicContact CG-CG 3.97Å
80V87.1Confident90.2Very high46 Ų4632.4 Ų32.428%0.27917%0.171SC..SBendtrans-138.8135.2-174.7-175.80000108.9I78 L102I78-V80 WeakPolarHBondContact CG2-O 3.44Å; V80-L102 HydrophobicContact CG2-CD1 4.16Å
81I89.3Confident90.2Very high0 Ų037 Ų370%019%0.188CC..  trans-87.1107.5173.3-53.2173.8000108.5L84 L95 V100 S105 V106 S108 L109 L120I81-L84 HydrophobicContact CG2-CD1 3.94Å; I81-L95 HydrophobicContact CD1-CD1 3.53Å; I81-L95 HydrophobicContact CG1-CD1 3.76Å; I81-V100 HydrophobicContact CD1-CG1 4.17Å; I81-V100 HydrophobicContact CG1-CG1 4.1Å; I81-V100 HydrophobicContact CG1-CG2 4.13Å; I81-S105 PolarHBondContact N-OG 3.12Å; I81-V106 HydrophobicContact CD1-CG2 4.12Å; I81-S108 PolarHBondContact O-OG 3.34Å; I81-S108 VanDerWaalsContact O-OG 3.12Å; I81-L109 HydrophobicContact CD1-CD1 4.43Å; I81-L109 HydrophobicContact CG2-CD1 4.12Å; I81-L109 HydrophobicContact CG2-CD2 3.86Å; I81-L109 HydrophobicContact CG2-CG 3.88Å; I81-L120 HydrophobicContact CD1-CD2 4.1Å
82E89.1Confident90.3Very high60 Ų6040 Ų4028%0.2820%0.201SC..  trans-144.5170179.957.4178165.700110.8L84E82-L84 VanDerWaalsContact C-N 3.25Å; E82-L84 PolarHBondContact O-N 2.97Å; E82-L84 VanDerWaalsContact O-N 3.16Å
83N86.8Confident90.3Very high78 Ų7839.7 Ų39.742%0.41720%0.199SC..SBendtrans61.321173.3-56.8-49.7000116.6I59I59-N83 WeakPolarHBondContact O-CB 3.14Å; I59-N83 PolarHBondContact O-ND2 3.24Å
84L88Confident90.4Very high1 Ų140.8 Ų40.81%0.00521%0.205CC..  trans-100.5-0.4176.2-69.4172.6000114I59 V62 L71 I81 E82 G86 C87 L93 L109 N112I59-L84 HydrophobicContact CD1-CD1 3.98Å; I59-L84 HydrophobicContact CD1-CG 4.47Å; I59-L84 HydrophobicContact CG2-CD2 3.97Å; I59-L84 HydrophobicContact CG2-CG 4.16Å; V62-L84 HydrophobicContact CG2-CD2 3.71Å; L71-L84 HydrophobicContact CD2-CD2 3.74Å; I81-L84 HydrophobicContact CG2-CD1 3.94Å; E82-L84 VanDerWaalsContact C-N 3.25Å; E82-L84 PolarHBondContact O-N 2.97Å; E82-L84 VanDerWaalsContact O-N 3.16Å; L84-G86 VanDerWaalsContact C-N 3.28Å; L84-G86 PolarHBondContact O-N 2.87Å; L84-C87 WeakPolarHBondContact O-CB 3.48Å; L84-C87 PolarHBondContact O-N 3.39Å; L84-C87 VanDerWaalsContact O-N 3.13Å; L84-L93 HydrophobicContact CD1-CD2 3.85Å; L84-L109 HydrophobicContact CB-CD2 4.09Å; L84-L109 HydrophobicContact CD1-CD2 3.62Å; L84-N112 PolarHBondContact O-ND2 2.88Å
85E86.3Confident90.4Very high109 Ų10940.4 Ų40.451%0.50920%0.202SC..THydrogen-bonded Turntrans-60.7-33-172.9-57.4177.8-174.900113.6H111E85-H111 HydrophobicContact CB-CB 4.28Å
86G84Confident90.6Very high26 Ų2638.5 Ų38.527%0.26819%0.193SC..THydrogen-bonded Turntrans-87.4-0.9-179.500000115.3G63 L84 E88G63-G86 CarbonylContact O-C 3.09Å; G63-G86 VanDerWaalsContact O-C 3.28Å; G63-G86 WeakPolarHBondContact O-CA 3.49Å; L84-G86 VanDerWaalsContact C-N 3.28Å; L84-G86 PolarHBondContact O-N 2.87Å; G86-E88 VanDerWaalsContact C-N 3.27Å; G86-E88 PolarHBondContact O-N 3.39Å
87C90.1Very high90.5Very high0 Ų040.9 Ų40.90%021%0.208CC..  trans-81.771.4174.1-61.10000110.6V62 L84 S89 L90 N112V62-C87 PolarHBondContact O-SG 3.46Å; L84-C87 WeakPolarHBondContact O-CB 3.48Å; L84-C87 PolarHBondContact O-N 3.39Å; L84-C87 VanDerWaalsContact O-N 3.13Å; C87-S89 VanDerWaalsContact C-N 3.3Å; C87-S89 PolarHBondContact O-N 2.87Å; C87-L90 HydrophobicContact CB-CB 4.05Å; C87-L90 WeakPolarHBondContact O-CB 3.43Å; C87-L90 PolarHBondContact O-N 2.96Å; C87-N112 PolarHBondContact O-ND2 2.71Å
88E87.9Confident90.6Very high103 Ų10340.9 Ų40.948%0.48121%0.207SC..THydrogen-bonded Turntrans-56.9-39.9-173.2-65170.8-146.600112.7K66 G86 L90 H114K66-E88 IonicContact NZ-OE1 2.88Å; K66-E88 PolarHBondContact NZ-OE1 3.09Å; G86-E88 VanDerWaalsContact C-N 3.27Å; G86-E88 PolarHBondContact O-N 3.39Å; E88-L90 PolarHBondContact O-N 2.88Å; E88-H114 PolarHBondContact O-CD2 2.49Å; E88-H114 VanDerWaalsContact O-CD2 3.28Å
89S92.3Very high90.5Very high40 Ų4041.5 Ų41.528%0.2821%0.21SC..THydrogen-bonded Turntrans-87.14.8-176.1-54.20000115K66 L68 C87 R91K66-S89 WeakPolarHBondContact O-CB 3.13Å; K66-S89 PolarHBondContact O-N 3.21Å; K66-S89 PolarHBondContact O-OG 3.32Å; L68-S89 CarbonylContact O-C 3.37Å; C87-S89 VanDerWaalsContact C-N 3.3Å; C87-S89 PolarHBondContact O-N 2.87Å; S89-R91 WeakPolarHBondContact O-CG 3.1Å; S89-R91 PolarHBondContact O-N 3.29Å
90L94.7Very high90.5Very high0 Ų036.9 Ų36.90%019%0.189CC..  trans-64.3119.6-173.6-168.769.5000110.8L68 L71 C87 E88 L93 H114 L115L68-L90 HydrophobicContact CD2-CD1 4.25Å; L68-L90 HydrophobicContact CG-CD1 4.23Å; L68-L90 WeakPolarHBondContact O-CA 3.23Å; L68-L90 PolarHBondContact O-N 2.99Å; L71-L90 HydrophobicContact CB-CD1 3.91Å; C87-L90 HydrophobicContact CB-CB 4.05Å; C87-L90 WeakPolarHBondContact O-CB 3.43Å; C87-L90 PolarHBondContact O-N 2.96Å; E88-L90 PolarHBondContact O-N 2.88Å; L90-L93 HydrophobicContact CD2-CB 4.43Å; L90-H114 CarbonylContact O-C 3.17Å; L90-L115 HydrophobicContact CD2-CD1 4.22Å; L90-L115 HydrophobicContact CG-CD1 4.16Å; L90-L115 WeakPolarHBondContact O-CA 3.37Å; L90-L115 PolarHBondContact O-N 3.48Å
91R95.1Very high90.2Very high132 Ų13236 Ų3650%0.49819%0.189SC..  trans-105.6-36.7-179.4-60.8179.5-170.3-109.31.7112.4E69 S89 H114 R116 E117E69-R91 HydrophobicContact CB-CG 4.46Å; E69-R91 WeakPolarHBondContact O-CA 3.49Å; E69-R91 WeakPolarHBondContact O-CB 3.2Å; E69-R91 PolarHBondContact O-N 3.22Å; E69-R91 IonicContact OE1-CZ 3.44Å; E69-R91 IonicContact OE1-NE 3.99Å; E69-R91 PolarHBondContact OE1-NE 3.4Å; E69-R91 IonicContact OE1-NH2 3.15Å; E69-R91 PolarHBondContact OE1-NH2 3.3Å; E69-R91 VanDerWaalsContact OE1-NH2 3.15Å; S89-R91 WeakPolarHBondContact O-CG 3.1Å; S89-R91 PolarHBondContact O-N 3.29Å; R91-H114 WeakPolarHBondContact CA-O 3.44Å; R91-R116 PolarHBondContact O-N 2.96Å; R91-E117 PolarHBondContact O-N 3.04Å
92K95.7Very high89.8Confident63 Ų6339.1 Ų39.127%0.27421%0.206SC..EExtended strand (participates in β ladder)trans-132.3129.3-174.6-176.4174.8-176.4162.90110.6E69 Y70 L71 E117E69-K92 PolarHBondContact O-N 2.93Å; Y70-K92 WeakPolarHBondContact CA-O 3.14Å; Y70-K92 HydrophobicContact CD2-CB 3.6Å; Y70-K92 HydrophobicContact CD2-CD 3.62Å; Y70-K92 HydrophobicContact CD2-CG 3.46Å; Y70-K92 VanDerWaalsContact CD2-CG 3.46Å; Y70-K92 WeakPolarHBondContact CD2-O 3.33Å; Y70-K92 HydrophobicContact CE2-CB 4.23Å; Y70-K92 HydrophobicContact CE2-CD 3.54Å; Y70-K92 HydrophobicContact CE2-CG 3.55Å; Y70-K92 HydrophobicContact CG-CB 4.26Å; Y70-K92 HydrophobicContact CG-CD 4.21Å; Y70-K92 HydrophobicContact CG-CG 4.38Å; L71-K92 PolarHBondContact N-O 3Å; K92-E117 WeakPolarHBondContact CA-O 3.33Å; K92-E117 HydrophobicContact CB-CB 4.18Å; K92-E117 VanDerWaalsContact CD-OE2 3.31Å; K92-E117 WeakPolarHBondContact CD-OE2 3.19Å; K92-E117 WeakPolarHBondContact CE-OE2 3.44Å; K92-E117 HydrophobicContact CG-CB 3.9Å; K92-E117 IonicContact NZ-OE2 3.84Å; K92-E117 PolarHBondContact NZ-OE2 2.79Å
93L95.4Very high89.5Confident0 Ų036.3 Ų36.30%019%0.192CC..EExtended strand (participates in β ladder)trans-128.7122.4175.617960000109.9L71 L84 L90 L95 L109 L115 E117 L118 F119L71-L93 HydrophobicContact CB-CD1 3.98Å; L71-L93 HydrophobicContact CD2-CD1 3.92Å; L71-L93 HydrophobicContact CG-CD1 3.97Å; L71-L93 WeakPolarHBondContact O-CA 3.34Å; L84-L93 HydrophobicContact CD1-CD2 3.85Å; L90-L93 HydrophobicContact CD2-CB 4.43Å; L93-L95 HydrophobicContact CD1-CG 4.23Å; L93-L95 HydrophobicContact CD2-CD1 3.88Å; L93-L95 HydrophobicContact CD2-CG 4.37Å; L93-L95 HydrophobicContact CG-CD1 4.12Å; L93-L95 HydrophobicContact CG-CG 4.08Å; L93-L109 HydrophobicContact CD2-CD1 3.95Å; L93-L109 HydrophobicContact CD2-CD2 3.88Å; L93-L115 HydrophobicContact CB-CD1 4.06Å; L93-E117 PolarHBondContact N-O 2.84Å; L93-L118 HydrophobicContact CB-CD1 4.02Å; L93-L118 HydrophobicContact CD2-CD1 3.9Å; L93-L118 HydrophobicContact CG-CD1 4.01Å; L93-L118 WeakPolarHBondContact O-CA 3.43Å; L93-F119 PolarHBondContact O-N 3.47Å
94D95.6Very high89.3Confident22 Ų2235 Ų3512%0.11819%0.19CC..EExtended strand (participates in β ladder)trans-110.4114.8175.9-164.6-26.8000110.2Y70 L71 N72 L73 A74 T96Y70-D94 HydrophobicContact CE2-CB 4.37Å; L71-D94 PolarHBondContact O-N 3.26Å; N72-D94 HydrophobicContact CB-CB 4.43Å; L73-D94 CarbonylContact C-O 3.15Å; L73-D94 WeakPolarHBondContact CA-O 3.47Å; L73-D94 PolarHBondContact N-O 3.1Å; A74-D94 PolarHBondContact N-O 3.06Å; D94-T96 WeakPolarHBondContact OD1-CB 3.37Å; D94-T96 WeakPolarHBondContact OD1-CG2 3.48Å; D94-T96 PolarHBondContact OD1-N 3.42Å; D94-T96 PolarHBondContact OD1-OG1 2.79Å
95L93.7Very high89.2Confident0 Ų035.4 Ų35.40%019%0.192CC..  trans-121.326175.7-69.7168000110.7I59 L73 I78 I81 L93 V97 N98 F119 L120 N123I59-L95 HydrophobicContact CD1-CD2 4.32Å; L73-L95 HydrophobicContact CB-CD2 3.84Å; L73-L95 HydrophobicContact CD1-CD2 4.1Å; I78-L95 HydrophobicContact CD1-CD2 3.59Å; I81-L95 HydrophobicContact CD1-CD1 3.53Å; I81-L95 HydrophobicContact CG1-CD1 3.76Å; L93-L95 HydrophobicContact CD1-CG 4.23Å; L93-L95 HydrophobicContact CD2-CD1 3.88Å; L93-L95 HydrophobicContact CD2-CG 4.37Å; L93-L95 HydrophobicContact CG-CD1 4.12Å; L93-L95 HydrophobicContact CG-CG 4.08Å; L95-V97 PolarHBondContact O-N 2.94Å; L95-N98 WeakPolarHBondContact O-CB 3.35Å; L95-N98 PolarHBondContact O-ND2 3.36Å; L95-F119 CarbonylContact C-O 3.47Å; L95-F119 WeakPolarHBondContact CA-O 3.38Å; L95-F119 WeakPolarHBondContact CB-O 3.39Å; L95-F119 PolarHBondContact N-O 2.83Å; L95-L120 HydrophobicContact CB-CD2 4.11Å; L95-L120 HydrophobicContact CD1-CD2 4.05Å; L95-N123 PolarHBondContact O-ND2 2.66Å
96T93.3Very high89.3Confident31 Ų3130.2 Ų30.219%0.1917%0.168CC..THydrogen-bonded Turntrans-56139.2179.3490000112.3A74 L75 D94 N98 F119 V121A74-T96 CarbonylContact C-O 3.51Å; A74-T96 WeakPolarHBondContact CA-O 3.34Å; A74-T96 WeakPolarHBondContact CB-OG1 3.33Å; L75-T96 PolarHBondContact N-O 3.35Å; D94-T96 WeakPolarHBondContact OD1-CB 3.37Å; D94-T96 WeakPolarHBondContact OD1-CG2 3.48Å; D94-T96 PolarHBondContact OD1-N 3.42Å; D94-T96 PolarHBondContact OD1-OG1 2.79Å; T96-N98 VanDerWaalsContact C-N 3.32Å; T96-N98 PolarHBondContact O-N 3.4Å; T96-N98 PolarHBondContact O-ND2 3.17Å; T96-N98 VanDerWaalsContact O-ND2 3.1Å; T96-F119 HydrophobicContact CG2-CB 3.67Å; T96-V121 CarbonylContact C-O 3.11Å; T96-V121 VanDerWaalsContact CA-O 3.29Å; T96-V121 WeakPolarHBondContact CA-O 3.27Å; T96-V121 HydrophobicContact CG2-CB 4.19Å
97V89.8Confident89.4Confident51 Ų5131.9 Ų31.931%0.30917%0.169SC..THydrogen-bonded Turntrans53.945.6175.9-162.90000113L75 L95 V121 F225 R230L75-V97 HydrophobicContact CD2-CB 3.67Å; L75-V97 HydrophobicContact CD2-CG1 3.66Å; L75-V97 HydrophobicContact CD2-CG2 4.2Å; L75-V97 HydrophobicContact CG-CB 4.38Å; L95-V97 PolarHBondContact O-N 2.94Å; V97-V121 PolarHBondContact N-O 3.18Å; V97-F225 HydrophobicContact CG1-CE2 4.34Å; V97-F225 HydrophobicContact CG1-CZ 4.41Å; V97-R230 PolarHBondContact O-NH1 3.2Å; V97-R230 PolarHBondContact O-NH2 3.23Å
98N91.8Very high89.3Confident0 Ų033.3 Ų33.30%018%0.179CC..  trans-102.4-171.4169.5-81.3-91.4000110.6L73 N76 I78 L95 T96 V100 N123 F225L73-N98 PolarHBondContact O-ND2 2.8Å; N76-N98 VanDerWaalsContact CA-OD1 3.29Å; N76-N98 WeakPolarHBondContact CA-OD1 3.48Å; N76-N98 WeakPolarHBondContact CB-OD1 3.27Å; N76-N98 PolarHBondContact N-OD1 3.27Å; N76-N98 WeakPolarHBondContact O-CA 3.37Å; N76-N98 PolarHBondContact O-OD1 2.87Å; I78-N98 HydrophobicContact CB-CB 4.33Å; I78-N98 WeakPolarHBondContact CB-OD1 3.31Å; I78-N98 WeakPolarHBondContact CG1-OD1 3.32Å; I78-N98 PolarHBondContact N-OD1 3.13Å; L95-N98 WeakPolarHBondContact O-CB 3.35Å; L95-N98 PolarHBondContact O-ND2 3.36Å; T96-N98 VanDerWaalsContact C-N 3.32Å; T96-N98 PolarHBondContact O-N 3.4Å; T96-N98 PolarHBondContact O-ND2 3.17Å; T96-N98 VanDerWaalsContact O-ND2 3.1Å; N98-V100 HydrophobicContact CB-CG2 4.37Å; N98-N123 VanDerWaalsContact CA-OD1 3.27Å; N98-N123 WeakPolarHBondContact CA-OD1 3.37Å; N98-N123 WeakPolarHBondContact CB-OD1 3.43Å; N98-N123 PolarHBondContact N-OD1 3.41Å; N98-N123 PolarHBondContact O-OD1 3.14Å; N98-N123 VanDerWaalsContact O-OD1 3.14Å; N98-F225 WeakPolarHBondContact O-CE1 3.42Å; N98-F225 WeakPolarHBondContact O-CZ 3.43Å
99F87.7Confident89.3Confident13 Ų1328.4 Ų28.46%0.05716%0.156CC..  trans-113.332.6179.5-58.4-81.9000112.2N77 I78 Q79 G101 N123 F225 T226 P227 R230N77-F99 HydrophobicContact CB-CD2 4.38Å; N77-F99 HydrophobicContact CB-CE2 4.38Å; I78-F99 CarbonylContact O-C 3.5Å; I78-F99 WeakPolarHBondContact O-CA 3.36Å; I78-F99 PolarHBondContact O-N 3.08Å; Q79-F99 WeakPolarHBondContact CA-O 3.4Å; Q79-F99 HydrophobicContact CG-CB 4.19Å; F99-G101 PolarHBondContact O-N 3.14Å; F99-N123 PolarHBondContact N-OD1 3.29Å; F99-F225 AromaticContact CD1-CD1 3.46Å; F99-F225 HydrophobicContact CD1-CD1 3.46Å; F99-F225 VanDerWaalsContact CD1-CD1 3.46Å; F99-F225 AromaticContact CD1-CE1 3.36Å; F99-F225 HydrophobicContact CD1-CE1 3.36Å; F99-F225 HydrophobicContact CD1-CG 4.12Å; F99-F225 AromaticContact CD1-CZ 3.97Å; F99-F225 HydrophobicContact CD1-CZ 3.97Å; F99-F225 WeakPolarHBondContact CD1-O 3.3Å; F99-F225 HydrophobicContact CE1-CB 4.41Å; F99-F225 AromaticContact CE1-CD1 3.47Å; F99-F225 HydrophobicContact CE1-CD1 3.47Å; F99-F225 VanDerWaalsContact CE1-CD1 3.47Å; F99-F225 AromaticContact CE1-CD2 3.87Å; F99-F225 HydrophobicContact CE1-CD2 3.87Å; F99-F225 AromaticContact CE1-CE1 3.53Å; F99-F225 HydrophobicContact CE1-CE1 3.53Å; F99-F225 AromaticContact CE1-CE2 3.94Å; F99-F225 HydrophobicContact CE1-CE2 3.94Å; F99-F225 AromaticContact CE1-CG 3.65Å; F99-F225 HydrophobicContact CE1-CG 3.65Å; F99-F225 AromaticContact CE1-CZ 3.77Å; F99-F225 HydrophobicContact CE1-CZ 3.77Å; F99-F225 WeakPolarHBondContact CE1-O 3.42Å; F99-F225 HydrophobicContact CG-CE1 4.29Å; F99-F225 HydrophobicContact CZ-CE2 4.5Å; F99-F225 HydrophobicContact CZ-CZ 4.48Å; F99-T226 WeakPolarHBondContact CZ-O 3.38Å; F99-P227 HydrophobicContact CB-CG 4.04Å; F99-P227 HydrophobicContact CD1-CG 4.37Å; F99-P227 HydrophobicContact CD2-CB 4.26Å; F99-P227 HydrophobicContact CD2-CG 3.7Å; F99-P227 HydrophobicContact CE2-CB 4.31Å; F99-P227 HydrophobicContact CE2-CG 4.15Å; F99-P227 HydrophobicContact CG-CG 3.79Å; F99-R230 HydrophobicContact CZ-CB 4.32Å
100V87.1Confident89.1Confident0 Ų030.7 Ų30.70%016%0.162CC..  trans-66.3103.4-179.6-177.80000109.3I78 Q79 I81 N98 N123 P124 C125I78-V100 HydrophobicContact CG2-CG2 4.26Å; I78-V100 PolarHBondContact O-N 2.93Å; I78-V100 VanDerWaalsContact O-N 3.12Å; Q79-V100 WeakPolarHBondContact O-CA 3.33Å; I81-V100 HydrophobicContact CD1-CG1 4.17Å; I81-V100 HydrophobicContact CG1-CG1 4.1Å; I81-V100 HydrophobicContact CG1-CG2 4.13Å; N98-V100 HydrophobicContact CB-CG2 4.37Å; V100-N123 HydrophobicContact CB-CB 4.19Å; V100-N123 WeakPolarHBondContact CB-OD1 3.29Å; V100-N123 WeakPolarHBondContact CG2-OD1 3.35Å; V100-N123 PolarHBondContact N-OD1 3.38Å; V100-P124 WeakPolarHBondContact O-CD 3.46Å; V100-C125 VanDerWaalsContact O-CB 3.22Å; V100-C125 WeakPolarHBondContact O-CB 3.49Å; V100-C125 PolarHBondContact O-N 3.37Å
101G80.4Confident88.8Confident28 Ų2836.4 Ų36.429%0.28919%0.189SC..  trans-92.9-33.4-178.800000113.3Q79 F99 F128Q79-G101 PolarHBondContact O-N 3.46Å; F99-G101 PolarHBondContact O-N 3.14Å; G101-F128 VanDerWaalsContact O-CE2 3.31Å; G101-F128 WeakPolarHBondContact O-CE2 3.43Å
102L81.1Confident88.5Confident65 Ų6530.1 Ų30.134%0.3417%0.165SC..  trans-89.6111.8-176.6-66.6169.1000110.2V80 S104 S105 E173V80-L102 HydrophobicContact CG2-CD1 4.16Å; L102-S104 PolarHBondContact O-N 2.86Å; L102-S105 WeakPolarHBondContact O-CB 3.5Å; L102-S105 PolarHBondContact O-N 3.32Å; L102-S105 PolarHBondContact O-OG 3.16Å; L102-E173 HydrophobicContact CD2-CG 4.32Å
103L82.8Confident88.2Confident0 Ų030.1 Ų30.10%018%0.176CC..G310 helixtrans-68.4-30.4174.6-168.167000110.7S105 V106 C125 F128 Y134 V135 T169 E173L103-S105 PolarHBondContact O-N 2.88Å; L103-V106 HydrophobicContact CD1-CG2 4.39Å; L103-V106 WeakPolarHBondContact O-CB 3.4Å; L103-V106 WeakPolarHBondContact O-CG2 3.37Å; L103-V106 PolarHBondContact O-N 3.08Å; L103-V106 VanDerWaalsContact O-N 3.09Å; L103-C125 HydrophobicContact CD1-CB 4.2Å; L103-F128 HydrophobicContact CB-CD2 4.48Å; L103-Y134 HydrophobicContact CD1-CD1 4.13Å; L103-Y134 HydrophobicContact CD2-CD1 3.52Å; L103-Y134 HydrophobicContact CD2-CD2 4.05Å; L103-Y134 HydrophobicContact CD2-CE1 4.15Å; L103-Y134 HydrophobicContact CD2-CG 3.45Å; L103-Y134 VanDerWaalsContact CD2-CG 3.45Å; L103-Y134 HydrophobicContact CG-CD1 3.42Å; L103-Y134 VanDerWaalsContact CG-CD1 3.42Å; L103-Y134 HydrophobicContact CG-CE1 3.73Å; L103-Y134 HydrophobicContact CG-CG 3.94Å; L103-Y134 WeakPolarHBondContact O-CE1 3.32Å; L103-V135 HydrophobicContact CD1-CG2 3.97Å; L103-T169 HydrophobicContact CB-CG2 3.77Å; L103-T169 HydrophobicContact CD2-CG2 3.61Å; L103-T169 HydrophobicContact CG-CG2 4.18Å; L103-E173 PolarHBondContact N-OE1 3.25Å
104S82.6Confident88.1Confident52 Ų5234.8 Ų34.836%0.36420%0.198SC..G310 helixtrans-56.3-27.8172.3-62.70000113.3L102 V106 E107 E173L102-S104 PolarHBondContact O-N 2.86Å; S104-V106 PolarHBondContact O-N 3.12Å; S104-E107 WeakPolarHBondContact O-CB 3.26Å; S104-E107 PolarHBondContact O-N 2.81Å; S104-E107 VanDerWaalsContact O-N 3.14Å; S104-E173 PolarHBondContact N-OE1 3.34Å; S104-E173 PolarHBondContact OG-OE1 3.25Å; S104-E173 PolarHBondContact OG-OE2 3.26Å
105S86.2Confident88.1Confident9 Ų933.7 Ų33.76%0.06319%0.192CC..G310 helixtrans-66.2-20.4178.272.60000113.8I81 L102 L103 E107 S108I81-S105 PolarHBondContact N-OG 3.12Å; L102-S105 WeakPolarHBondContact O-CB 3.5Å; L102-S105 PolarHBondContact O-N 3.32Å; L102-S105 PolarHBondContact O-OG 3.16Å; L103-S105 PolarHBondContact O-N 2.88Å; S105-E107 PolarHBondContact O-N 3.35Å; S105-S108 WeakPolarHBondContact O-CB 3.4Å; S105-S108 PolarHBondContact O-N 3.49Å; S105-S108 PolarHBondContact O-OG 3.48Å; S105-S108 VanDerWaalsContact O-OG 3.08Å
106V87.7Confident88.1Confident0 Ų039.5 Ų39.50%021%0.214CC..G310 helixtrans-66.4-24.7176.3-178.90000111.3I81 L103 S104 S108 L109 L120 V135 L139I81-V106 HydrophobicContact CD1-CG2 4.12Å; L103-V106 HydrophobicContact CD1-CG2 4.39Å; L103-V106 WeakPolarHBondContact O-CB 3.4Å; L103-V106 WeakPolarHBondContact O-CG2 3.37Å; L103-V106 PolarHBondContact O-N 3.08Å; L103-V106 VanDerWaalsContact O-N 3.09Å; S104-V106 PolarHBondContact O-N 3.12Å; V106-S108 PolarHBondContact O-N 3.27Å; V106-L109 WeakPolarHBondContact O-CB 3.42Å; V106-L109 PolarHBondContact O-N 3.11Å; V106-L109 VanDerWaalsContact O-N 3.08Å; V106-L120 HydrophobicContact CG2-CD1 4.29Å; V106-V135 HydrophobicContact CG1-CG1 4.2Å; V106-V135 HydrophobicContact CG1-CG2 4.29Å; V106-L139 HydrophobicContact CG1-CD1 3.49Å; V106-L139 VanDerWaalsContact CG1-CD1 3.49Å; V106-L139 HydrophobicContact CG1-CG 3.99Å
107E86.3Confident88.2Confident60 Ų6041 Ų4128%0.2822%0.219SC..G310 helixtrans-62.4-27177.6-63.5-165.815000112.4S104 S105 L109 Q110 Y134 A138 R166S104-E107 WeakPolarHBondContact O-CB 3.26Å; S104-E107 PolarHBondContact O-N 2.81Å; S104-E107 VanDerWaalsContact O-N 3.14Å; S105-E107 PolarHBondContact O-N 3.35Å; E107-L109 PolarHBondContact O-N 3.04Å; E107-L109 VanDerWaalsContact O-N 3.13Å; E107-Q110 WeakPolarHBondContact O-CB 3.36Å; E107-Q110 WeakPolarHBondContact O-CG 3.43Å; E107-Q110 PolarHBondContact O-N 3.17Å; E107-Y134 HydrophobicContact CG-CE1 4.47Å; E107-Y134 PolarHBondContact OE1-OH 2.99Å; E107-A138 HydrophobicContact CG-CB 4.32Å; E107-R166 IonicContact OE1-CZ 3.19Å; E107-R166 IonicContact OE1-NE 2.97Å; E107-R166 IonicContact OE1-NH2 3.75Å; E107-R166 PolarHBondContact OE1-NH2 2.96Å
108S87.6Confident88.5Confident31 Ų3138.5 Ų38.522%0.21720%0.204CC..G310 helixtrans-57.6-27.1174.1-49.10000113I81 S105 V106 Q110I81-S108 PolarHBondContact O-OG 3.34Å; I81-S108 VanDerWaalsContact O-OG 3.12Å; S105-S108 WeakPolarHBondContact O-CB 3.4Å; S105-S108 PolarHBondContact O-N 3.49Å; S105-S108 PolarHBondContact O-OG 3.48Å; S105-S108 VanDerWaalsContact O-OG 3.08Å; V106-S108 PolarHBondContact O-N 3.27Å; S108-Q110 PolarHBondContact O-N 3.05Å
109L88.8Confident88.6Confident0 Ų040.3 Ų40.30%021%0.212CC..G310 helixtrans-78.4-4.4179.4-61.4174.5000113.3I81 L84 L93 V106 E107 H111 N112 L115 L118 L139 Q141I81-L109 HydrophobicContact CD1-CD1 4.43Å; I81-L109 HydrophobicContact CG2-CD1 4.12Å; I81-L109 HydrophobicContact CG2-CD2 3.86Å; I81-L109 HydrophobicContact CG2-CG 3.88Å; L84-L109 HydrophobicContact CB-CD2 4.09Å; L84-L109 HydrophobicContact CD1-CD2 3.62Å; L93-L109 HydrophobicContact CD2-CD1 3.95Å; L93-L109 HydrophobicContact CD2-CD2 3.88Å; V106-L109 WeakPolarHBondContact O-CB 3.42Å; V106-L109 PolarHBondContact O-N 3.11Å; V106-L109 VanDerWaalsContact O-N 3.08Å; E107-L109 PolarHBondContact O-N 3.04Å; E107-L109 VanDerWaalsContact O-N 3.13Å; L109-H111 PolarHBondContact O-N 3.25Å; L109-N112 PolarHBondContact O-N 3.23Å; L109-N112 VanDerWaalsContact O-N 3.11Å; L109-N112 PolarHBondContact O-OD1 2.95Å; L109-L115 HydrophobicContact CB-CD2 4.1Å; L109-L115 HydrophobicContact CD1-CD2 4.17Å; L109-L118 HydrophobicContact CD1-CD1 4.22Å; L109-L118 HydrophobicContact CD1-CD2 4.24Å; L109-L139 HydrophobicContact CB-CD1 4.04Å; L109-L139 HydrophobicContact CB-CD2 3.78Å; L109-L139 HydrophobicContact CD1-CD1 4.21Å; L109-Q141 PolarHBondContact O-NE2 3.32Å; L109-Q141 VanDerWaalsContact O-NE2 3.11Å
110Q88Confident88.8Confident87 Ų8739.7 Ų39.741%0.40721%0.209SC..G310 helixtrans-59.4-30.9177.4-75.7177.426.500112.5E107 S108 N112 A138 L139 Q141E107-Q110 WeakPolarHBondContact O-CB 3.36Å; E107-Q110 WeakPolarHBondContact O-CG 3.43Å; E107-Q110 PolarHBondContact O-N 3.17Å; S108-Q110 PolarHBondContact O-N 3.05Å; Q110-N112 VanDerWaalsContact C-N 3.26Å; Q110-N112 PolarHBondContact O-N 3.31Å; Q110-A138 WeakPolarHBondContact CG-O 3.49Å; Q110-A138 PolarHBondContact NE2-O 3.46Å; Q110-L139 HydrophobicContact CB-CD2 4.47Å; Q110-L139 HydrophobicContact CG-CD2 3.85Å; Q110-Q141 PolarHBondContact O-NE2 3.05Å
111H87.3Confident89Confident121 Ų12143.3 Ų43.356%0.5623%0.231SC*.G310 helixtrans-67.6-25178.8-62.8-67000113E85 L109 A113E85-H111 HydrophobicContact CB-CB 4.28Å; L109-H111 PolarHBondContact O-N 3.25Å; H111-A113 PolarHBondContact O-N 2.7Å
112N90.6Very high89.2Confident0 Ų043.4 Ų43.40%023%0.233CC..  trans-81.387.1-179.8-53.997.5000110.5L84 C87 L109 Q110 H114 L115 Q141L84-N112 PolarHBondContact O-ND2 2.88Å; C87-N112 PolarHBondContact O-ND2 2.71Å; L109-N112 PolarHBondContact O-N 3.23Å; L109-N112 VanDerWaalsContact O-N 3.11Å; L109-N112 PolarHBondContact O-OD1 2.95Å; Q110-N112 VanDerWaalsContact C-N 3.26Å; Q110-N112 PolarHBondContact O-N 3.31Å; N112-H114 PolarHBondContact O-N 3.04Å; N112-L115 HydrophobicContact CB-CB 4.01Å; N112-L115 WeakPolarHBondContact O-CB 3.25Å; N112-L115 PolarHBondContact O-N 3.11Å; N112-Q141 PolarHBondContact O-NE2 2.99Å
113A88.9Confident89.6Confident62 Ų6240.5 Ų40.551%0.51222%0.217SC..THydrogen-bonded Turntrans-62.5-25.7-17700000114.2H111H111-A113 PolarHBondContact O-N 2.7Å
114H92.8Very high89.7Confident98 Ų9841.8 Ų41.845%0.45423%0.226SC..THydrogen-bonded Turntrans-93.2-0.9-178-67.5-56.6000114.4E88 L90 R91 N112 R116E88-H114 PolarHBondContact O-CD2 2.49Å; E88-H114 VanDerWaalsContact O-CD2 3.28Å; L90-H114 CarbonylContact O-C 3.17Å; R91-H114 WeakPolarHBondContact CA-O 3.44Å; N112-H114 PolarHBondContact O-N 3.04Å; H114-R116 WeakPolarHBondContact O-CG 3.39Å; H114-R116 PolarHBondContact O-N 3.02Å
115L94.8Very high89.7Confident0 Ų039.3 Ų39.30%021%0.208CC..  trans-67.9119-177.9-171.768.9000110.7L90 L93 L109 N112 Q141 L142L90-L115 HydrophobicContact CD2-CD1 4.22Å; L90-L115 HydrophobicContact CG-CD1 4.16Å; L90-L115 WeakPolarHBondContact O-CA 3.37Å; L90-L115 PolarHBondContact O-N 3.48Å; L93-L115 HydrophobicContact CB-CD1 4.06Å; L109-L115 HydrophobicContact CB-CD2 4.1Å; L109-L115 HydrophobicContact CD1-CD2 4.17Å; N112-L115 HydrophobicContact CB-CB 4.01Å; N112-L115 WeakPolarHBondContact O-CB 3.25Å; N112-L115 PolarHBondContact O-N 3.11Å; L115-Q141 HydrophobicContact CB-CG 4.38Å; L115-Q141 CarbonylContact O-C 3.1Å; L115-Q141 WeakPolarHBondContact O-CG 3.12Å; L115-L142 HydrophobicContact CG-CD1 4.32Å
116R94.7Very high89.6Confident122 Ų12241.1 Ų41.146%0.4622%0.219SC..  trans-116-31.9-178-62-51.4-173.9-180-0.8113.3R91 H114 Q141 L142 K143 W144R91-R116 PolarHBondContact O-N 2.96Å; H114-R116 WeakPolarHBondContact O-CG 3.39Å; H114-R116 PolarHBondContact O-N 3.02Å; R116-Q141 PolarHBondContact NH1-O 3.47Å; R116-L142 WeakPolarHBondContact O-CD1 3.29Å; R116-K143 HydrophobicContact CB-CB 4.34Å; R116-K143 WeakPolarHBondContact O-CA 3.36Å; R116-K143 PolarHBondContact O-N 3.18Å; R116-W144 PolarHBondContact O-N 3.1Å
117E95.9Very high89.4Confident61 Ų6147 Ų4729%0.28525%0.247SC..EExtended strand (participates in β ladder)trans-125.2127-175.2-63.7-177.3-161.300110.5R91 K92 L93 F119 W144R91-E117 PolarHBondContact O-N 3.04Å; K92-E117 WeakPolarHBondContact CA-O 3.33Å; K92-E117 HydrophobicContact CB-CB 4.18Å; K92-E117 VanDerWaalsContact CD-OE2 3.31Å; K92-E117 WeakPolarHBondContact CD-OE2 3.19Å; K92-E117 WeakPolarHBondContact CE-OE2 3.44Å; K92-E117 HydrophobicContact CG-CB 3.9Å; K92-E117 IonicContact NZ-OE2 3.84Å; K92-E117 PolarHBondContact NZ-OE2 2.79Å; L93-E117 PolarHBondContact N-O 2.84Å; E117-F119 HydrophobicContact CB-CE2 4.24Å; E117-W144 HydrophobicContact CG-CB 4.07Å; E117-W144 HydrophobicContact CG-CG 4.21Å
118L95.3Very high89.1Confident0 Ų045.1 Ų45.10%024%0.238CC..EExtended strand (participates in β ladder)trans-134.1132177.8178.962.9000109.8L93 L109 L120 V135 L139 L142 W144 L145 D146L93-L118 HydrophobicContact CB-CD1 4.02Å; L93-L118 HydrophobicContact CD2-CD1 3.9Å; L93-L118 HydrophobicContact CG-CD1 4.01Å; L93-L118 WeakPolarHBondContact O-CA 3.43Å; L109-L118 HydrophobicContact CD1-CD1 4.22Å; L109-L118 HydrophobicContact CD1-CD2 4.24Å; L118-L120 HydrophobicContact CD1-CD2 4.47Å; L118-L120 HydrophobicContact CD1-CG 4.33Å; L118-L120 HydrophobicContact CD2-CD1 3.89Å; L118-L120 HydrophobicContact CD2-CG 4.22Å; L118-L120 HydrophobicContact CG-CD1 4.27Å; L118-L120 HydrophobicContact CG-CG 4.06Å; L118-V135 HydrophobicContact CD2-CG1 4.14Å; L118-L139 HydrophobicContact CD2-CD1 3.98Å; L118-L142 HydrophobicContact CB-CD1 3.6Å; L118-L142 HydrophobicContact CB-CD2 3.98Å; L118-L142 HydrophobicContact CB-CG 4.45Å; L118-L142 HydrophobicContact CD2-CD2 4.35Å; L118-W144 PolarHBondContact N-O 3.31Å; L118-W144 VanDerWaalsContact N-O 3.13Å; L118-L145 HydrophobicContact CB-CD1 4.34Å; L118-L145 HydrophobicContact CD2-CD1 4.27Å; L118-L145 HydrophobicContact CG-CD1 4.31Å; L118-L145 WeakPolarHBondContact O-CA 3.26Å; L118-D146 PolarHBondContact O-N 2.81Å
119F94.9Very high88.8Confident38 Ų3851.8 Ų51.817%0.16727%0.265CS..EExtended strand (participates in β ladder)trans-120.4119.7174.3-58.6-96000110.3L93 L95 T96 E117 D146L93-F119 PolarHBondContact O-N 3.47Å; L95-F119 CarbonylContact C-O 3.47Å; L95-F119 WeakPolarHBondContact CA-O 3.38Å; L95-F119 WeakPolarHBondContact CB-O 3.39Å; L95-F119 PolarHBondContact N-O 2.83Å; T96-F119 HydrophobicContact CG2-CB 3.67Å; E117-F119 HydrophobicContact CB-CE2 4.24Å; F119-D146 WeakPolarHBondContact CA-OD1 3.42Å
120L91.6Very high88.5Confident0 Ų052.9 Ų52.90%028%0.276CS..  trans-121.84.7178.2-67.8171.6000112.2I81 L95 V106 L118 G122 N123 T126 V135 D146I81-L120 HydrophobicContact CD1-CD2 4.1Å; L95-L120 HydrophobicContact CB-CD2 4.11Å; L95-L120 HydrophobicContact CD1-CD2 4.05Å; V106-L120 HydrophobicContact CG2-CD1 4.29Å; L118-L120 HydrophobicContact CD1-CD2 4.47Å; L118-L120 HydrophobicContact CD1-CG 4.33Å; L118-L120 HydrophobicContact CD2-CD1 3.89Å; L118-L120 HydrophobicContact CD2-CG 4.22Å; L118-L120 HydrophobicContact CG-CD1 4.27Å; L118-L120 HydrophobicContact CG-CG 4.06Å; L120-G122 PolarHBondContact O-N 2.95Å; L120-N123 WeakPolarHBondContact O-CB 3.42Å; L120-N123 PolarHBondContact O-N 2.93Å; L120-N123 PolarHBondContact O-ND2 2.9Å; L120-T126 HydrophobicContact CB-CG2 4.44Å; L120-T126 WeakPolarHBondContact O-CG2 3.4Å; L120-V135 HydrophobicContact CD1-CG2 4.32Å; L120-D146 PolarHBondContact N-OD1 3.19Å
121V91.3Very high88.5Confident75 Ų7550.5 Ų50.546%0.45526%0.264SS..THydrogen-bonded Turntrans-49.7130.7177.7-173.60000111.7T96 V97 D146T96-V121 CarbonylContact C-O 3.11Å; T96-V121 VanDerWaalsContact CA-O 3.29Å; T96-V121 WeakPolarHBondContact CA-O 3.27Å; T96-V121 HydrophobicContact CG2-CB 4.19Å; V97-V121 PolarHBondContact N-O 3.18Å; V121-D146 HydrophobicContact CG2-CB 3.65Å; V121-D146 VanDerWaalsContact CG2-OD1 3.25Å; V121-D146 WeakPolarHBondContact CG2-OD1 3.47Å; V121-D146 PolarHBondContact N-OD1 3.32Å
122G84.2Confident88.6Confident31 Ų3146.8 Ų46.832%0.3225%0.245SC..THydrogen-bonded Turntrans81.516.6177.700000114.7L120 F225L120-G122 PolarHBondContact O-N 2.95Å; G122-F225 WeakPolarHBondContact O-CZ 3.14Å
123N89.3Confident88.6Confident3 Ų350.9 Ų50.92%0.01626%0.264CS..SBendtrans-98.9149.8168.7-72.8-87.6000111.2L95 N98 F99 V100 L120 C125 T126L95-N123 PolarHBondContact O-ND2 2.66Å; N98-N123 VanDerWaalsContact CA-OD1 3.27Å; N98-N123 WeakPolarHBondContact CA-OD1 3.37Å; N98-N123 WeakPolarHBondContact CB-OD1 3.43Å; N98-N123 PolarHBondContact N-OD1 3.41Å; N98-N123 PolarHBondContact O-OD1 3.14Å; N98-N123 VanDerWaalsContact O-OD1 3.14Å; F99-N123 PolarHBondContact N-OD1 3.29Å; V100-N123 HydrophobicContact CB-CB 4.19Å; V100-N123 WeakPolarHBondContact CB-OD1 3.29Å; V100-N123 WeakPolarHBondContact CG2-OD1 3.35Å; V100-N123 PolarHBondContact N-OD1 3.38Å; L120-N123 WeakPolarHBondContact O-CB 3.42Å; L120-N123 PolarHBondContact O-N 2.93Å; L120-N123 PolarHBondContact O-ND2 2.9Å; N123-C125 VanDerWaalsContact CB-SG 3.52Å; N123-C125 PolarHBondContact O-N 3.44Å; N123-C125 VanDerWaalsContact O-N 3.1Å; N123-T126 WeakPolarHBondContact O-CB 3.27Å; N123-T126 PolarHBondContact O-N 3.17Å; N123-T126 PolarHBondContact O-OG1 3.22Å
124P84.1Confident88.5Confident28 Ų2848.5 Ų48.518%0.18224%0.242CC..G310 helixtrans-56.9-26.9175.4-23.333.1000113.3V100 T126 E127 F225V100-P124 WeakPolarHBondContact O-CD 3.46Å; P124-T126 PolarHBondContact O-N 3.26Å; P124-E127 WeakPolarHBondContact O-CB 3.41Å; P124-E127 PolarHBondContact O-N 3.41Å; P124-F225 HydrophobicContact CG-CD1 4.36Å; P124-F225 HydrophobicContact CG-CE1 4.25Å
125C83Confident88.4Confident0 Ų043.9 Ų43.90%022%0.22CC..G310 helixtrans-63-19.8175.767.70000114.3V100 L103 N123 E127 F128 Y131V100-C125 VanDerWaalsContact O-CB 3.22Å; V100-C125 WeakPolarHBondContact O-CB 3.49Å; V100-C125 PolarHBondContact O-N 3.37Å; L103-C125 HydrophobicContact CD1-CB 4.2Å; N123-C125 VanDerWaalsContact CB-SG 3.52Å; N123-C125 PolarHBondContact O-N 3.44Å; N123-C125 VanDerWaalsContact O-N 3.1Å; C125-E127 PolarHBondContact O-N 2.66Å; C125-F128 HydrophobicContact CB-CD2 4.45Å; C125-F128 WeakPolarHBondContact O-CD2 3.06Å; C125-Y131 WeakPolarHBondContact O-CB 3.49Å
126T84.9Confident88.2Confident46 Ų4644.1 Ų44.128%0.28222%0.222SC..G310 helixtrans-74.6-16178.462.40000113.2L120 N123 P124 F128L120-T126 HydrophobicContact CB-CG2 4.44Å; L120-T126 WeakPolarHBondContact O-CG2 3.4Å; N123-T126 WeakPolarHBondContact O-CB 3.27Å; N123-T126 PolarHBondContact O-N 3.17Å; N123-T126 PolarHBondContact O-OG1 3.22Å; P124-T126 PolarHBondContact O-N 3.26Å; T126-F128 VanDerWaalsContact C-N 3.33Å
127E83.3Confident87.9Confident125 Ų12540 Ų4058%0.58421%0.21SC*.G310 helixtrans-79.3-15.2178.5-62.1179.6-172.700113.2P124 C125 Q129 R176P124-E127 WeakPolarHBondContact O-CB 3.41Å; P124-E127 PolarHBondContact O-N 3.41Å; C125-E127 PolarHBondContact O-N 2.66Å; E127-Q129 PolarHBondContact O-N 3.09Å; E127-R176 IonicContact OE2-CZ 3.59Å; E127-R176 IonicContact OE2-NH1 2.81Å; E127-R176 PolarHBondContact OE2-NH1 2.98Å; E127-R176 IonicContact OE2-NH2 3.72Å; E127-R176 PolarHBondContact OE2-NH2 3.5Å
128F80.7Confident87.6Confident20 Ų2037.5 Ų37.59%0.08820%0.2CC..SBendtrans-66.8132.7179.2-71.4-75000111.3G101 L103 C125 T126 G130 Y131 E173 R176G101-F128 VanDerWaalsContact O-CE2 3.31Å; G101-F128 WeakPolarHBondContact O-CE2 3.43Å; L103-F128 HydrophobicContact CB-CD2 4.48Å; C125-F128 HydrophobicContact CB-CD2 4.45Å; C125-F128 WeakPolarHBondContact O-CD2 3.06Å; T126-F128 VanDerWaalsContact C-N 3.33Å; F128-G130 PolarHBondContact O-N 3.22Å; F128-G130 VanDerWaalsContact O-N 3.14Å; F128-Y131 PolarHBondContact O-N 3.47Å; F128-E173 HydrophobicContact CE1-CG 4.39Å; F128-E173 HydrophobicContact CZ-CG 4.04Å; F128-R176 VanDerWaalsContact CZ-CD 3.47Å
129Q80.2Confident87.4Confident170 Ų17037.5 Ų37.579%0.79420%0.2SC*.THydrogen-bonded Turntrans-62.1119.7172.9-68.3-174.36.500109.5E127E127-Q129 PolarHBondContact O-N 3.09Å
130G83.5Confident87.1Confident23 Ų2340 Ų4024%0.23722%0.221CC..THydrogen-bonded Turntrans84.115.5-177.700000115.1F128 R132 Q133 Y134F128-G130 PolarHBondContact O-N 3.22Å; F128-G130 VanDerWaalsContact O-N 3.14Å; G130-R132 PolarHBondContact O-N 3.02Å; G130-Q133 VanDerWaalsContact CA-OE1 3.23Å; G130-Q133 PolarHBondContact O-N 3.02Å; G130-Q133 VanDerWaalsContact O-N 3.11Å; G130-Q133 PolarHBondContact O-OE1 2.8Å; G130-Y134 PolarHBondContact O-N 3.29Å
131Y87.9Confident87.1Confident38 Ų3841.3 Ų41.315%0.14923%0.227CC..Hα-helixtrans-50.3-45178.5105.7-87.6000111.3C125 F128 Q133 Y134 V135 L145 D146C125-Y131 WeakPolarHBondContact O-CB 3.49Å; F128-Y131 PolarHBondContact O-N 3.47Å; Y131-Q133 PolarHBondContact O-N 2.99Å; Y131-Y134 WeakPolarHBondContact O-CB 3.44Å; Y131-Y134 PolarHBondContact O-N 2.95Å; Y131-V135 HydrophobicContact CD2-CG2 4.03Å; Y131-V135 HydrophobicContact CE2-CG2 4.4Å; Y131-V135 WeakPolarHBondContact O-CG2 3.22Å; Y131-V135 PolarHBondContact O-N 2.98Å; Y131-L145 HydrophobicContact CE2-CD2 4.19Å; Y131-D146 PolarHBondContact OH-OD2 2.81Å
132R89.9Confident87.2Confident43 Ų4337.8 Ų37.816%0.16221%0.205CC..Hα-helixtrans-63.5-45.9-177.5-174.6166.9-17891.21.6111.4G130 Y134 V135 V136 L145 T148 E154G130-R132 PolarHBondContact O-N 3.02Å; R132-Y134 VanDerWaalsContact C-N 3.31Å; R132-Y134 PolarHBondContact O-N 3.17Å; R132-V135 PolarHBondContact O-N 3.25Å; R132-V136 HydrophobicContact CG-CG2 4.39Å; R132-V136 WeakPolarHBondContact O-CB 3.36Å; R132-V136 WeakPolarHBondContact O-CG2 3.45Å; R132-V136 PolarHBondContact O-N 3.44Å; R132-L145 HydrophobicContact CG-CD2 3.97Å; R132-L145 PolarHBondContact NH1-O 2.87Å; R132-T148 PolarHBondContact NH1-OG1 2.96Å; R132-T148 PolarHBondContact NH2-OG1 3.16Å; R132-E154 WeakPolarHBondContact CD-OE1 3.4Å; R132-E154 IonicContact CZ-OE1 2.87Å; R132-E154 IonicContact NE-OE1 2.67Å; R132-E154 PolarHBondContact NE-OE1 3.21Å; R132-E154 IonicContact NE-OE2 3.42Å; R132-E154 IonicContact NH2-OE1 3.22Å; R132-E154 IonicContact NH2-OE2 3.4Å
133Q88.6Confident87.7Confident85 Ų8540.8 Ų40.840%0.39721%0.209SC..Hα-helixtrans-61.3-41.5175.3-7186.2-13.500111.3G130 Y131 T137 A158 V165G130-Q133 VanDerWaalsContact CA-OE1 3.23Å; G130-Q133 PolarHBondContact O-N 3.02Å; G130-Q133 VanDerWaalsContact O-N 3.11Å; G130-Q133 PolarHBondContact O-OE1 2.8Å; Y131-Q133 PolarHBondContact O-N 2.99Å; Q133-T137 VanDerWaalsContact O-CB 3.27Å; Q133-T137 WeakPolarHBondContact O-CB 3.38Å; Q133-T137 PolarHBondContact O-N 3.42Å; Q133-T137 PolarHBondContact O-OG1 2.89Å; Q133-A158 HydrophobicContact CB-CB 4.09Å; Q133-A158 HydrophobicContact CG-CB 4.24Å; Q133-V165 HydrophobicContact CB-CG2 4.23Å
134Y88.1Confident88Confident13 Ų1344.7 Ų44.75%0.05122%0.224CC..Hα-helixtrans-61-53177.3-174.7-85.6000111.2L103 E107 G130 Y131 R132 V136 T137 A138 V165 R166 T169L103-Y134 HydrophobicContact CD1-CD1 4.13Å; L103-Y134 HydrophobicContact CD2-CD1 3.52Å; L103-Y134 HydrophobicContact CD2-CD2 4.05Å; L103-Y134 HydrophobicContact CD2-CE1 4.15Å; L103-Y134 HydrophobicContact CD2-CG 3.45Å; L103-Y134 VanDerWaalsContact CD2-CG 3.45Å; L103-Y134 HydrophobicContact CG-CD1 3.42Å; L103-Y134 VanDerWaalsContact CG-CD1 3.42Å; L103-Y134 HydrophobicContact CG-CE1 3.73Å; L103-Y134 HydrophobicContact CG-CG 3.94Å; L103-Y134 WeakPolarHBondContact O-CE1 3.32Å; E107-Y134 HydrophobicContact CG-CE1 4.47Å; E107-Y134 PolarHBondContact OE1-OH 2.99Å; G130-Y134 PolarHBondContact O-N 3.29Å; Y131-Y134 WeakPolarHBondContact O-CB 3.44Å; Y131-Y134 PolarHBondContact O-N 2.95Å; R132-Y134 VanDerWaalsContact C-N 3.31Å; R132-Y134 PolarHBondContact O-N 3.17Å; Y134-V136 PolarHBondContact O-N 3.19Å; Y134-T137 PolarHBondContact O-N 2.83Å; Y134-T137 VanDerWaalsContact O-N 3.1Å; Y134-A138 HydrophobicContact CD1-CB 4.37Å; Y134-A138 HydrophobicContact CE1-CB 4.21Å; Y134-A138 WeakPolarHBondContact O-CB 3.39Å; Y134-A138 PolarHBondContact O-N 3.5Å; Y134-V165 HydrophobicContact CD2-CG1 4.01Å; Y134-V165 HydrophobicContact CG-CG1 4.32Å; Y134-R166 HydrophobicContact CD2-CG 4.48Å; Y134-R166 HydrophobicContact CE2-CG 4.01Å; Y134-T169 HydrophobicContact CD2-CG2 4.36Å; Y134-T169 HydrophobicContact CE2-CG2 4.15Å
135V90.3Very high88.5Confident0 Ų043.4 Ų43.40%022%0.215CC..Hα-helixtrans-61.5-44.4-178175.50000111.2L103 V106 L118 L120 Y131 R132 T137 A138 L139 L142 L145L103-V135 HydrophobicContact CD1-CG2 3.97Å; V106-V135 HydrophobicContact CG1-CG1 4.2Å; V106-V135 HydrophobicContact CG1-CG2 4.29Å; L118-V135 HydrophobicContact CD2-CG1 4.14Å; L120-V135 HydrophobicContact CD1-CG2 4.32Å; Y131-V135 HydrophobicContact CD2-CG2 4.03Å; Y131-V135 HydrophobicContact CE2-CG2 4.4Å; Y131-V135 WeakPolarHBondContact O-CG2 3.22Å; Y131-V135 PolarHBondContact O-N 2.98Å; R132-V135 PolarHBondContact O-N 3.25Å; V135-T137 PolarHBondContact O-N 2.75Å; V135-A138 PolarHBondContact O-N 3.38Å; V135-L139 HydrophobicContact CG1-CD1 4.32Å; V135-L139 WeakPolarHBondContact O-CB 3.42Å; V135-L139 PolarHBondContact O-N 2.89Å; V135-L142 HydrophobicContact CG1-CD2 4.14Å; V135-L145 HydrophobicContact CB-CD2 4.04Å; V135-L145 HydrophobicContact CG1-CD1 3.93Å; V135-L145 HydrophobicContact CG1-CD2 3.89Å
136V91Very high88.9Confident5 Ų544.7 Ų44.73%0.0322%0.223CC..Hα-helixtrans-61.4-33.4177.5169.90000111.8R132 Y134 L145 I150 R155 A158R132-V136 HydrophobicContact CG-CG2 4.39Å; R132-V136 WeakPolarHBondContact O-CB 3.36Å; R132-V136 WeakPolarHBondContact O-CG2 3.45Å; R132-V136 PolarHBondContact O-N 3.44Å; Y134-V136 PolarHBondContact O-N 3.19Å; V136-L145 HydrophobicContact CG2-CD2 4.4Å; V136-I150 HydrophobicContact CG1-CG2 3.78Å; V136-I150 HydrophobicContact CG2-CD1 3.92Å; V136-I150 HydrophobicContact CG2-CG1 4.03Å; V136-I150 HydrophobicContact CG2-CG2 3.9Å; V136-R155 HydrophobicContact CG1-CB 4.38Å; V136-R155 HydrophobicContact CG1-CG 3.8Å; V136-A158 HydrophobicContact CB-CB 4.37Å; V136-A158 HydrophobicContact CG1-CB 4.07Å
137T88.6Confident89.1Confident35 Ų3544.8 Ų44.822%0.21523%0.232CC..Hα-helixtrans-82.3-40.3-179.3-55.30000112.1Q133 Y134 V135 L139 A158 L162Q133-T137 VanDerWaalsContact O-CB 3.27Å; Q133-T137 WeakPolarHBondContact O-CB 3.38Å; Q133-T137 PolarHBondContact O-N 3.42Å; Q133-T137 PolarHBondContact O-OG1 2.89Å; Y134-T137 PolarHBondContact O-N 2.83Å; Y134-T137 VanDerWaalsContact O-N 3.1Å; V135-T137 PolarHBondContact O-N 2.75Å; T137-L139 VanDerWaalsContact C-N 3.35Å; T137-A158 VanDerWaalsContact OG1-CB 3.31Å; T137-A158 WeakPolarHBondContact OG1-CB 3.36Å; T137-A158 PolarHBondContact OG1-O 3.29Å; T137-L162 HydrophobicContact CG2-CB 4.02Å; T137-L162 HydrophobicContact CG2-CD1 3.17Å; T137-L162 HydrophobicContact CG2-CG 3.47Å; T137-L162 VanDerWaalsContact CG2-CG 3.47Å
138A88.9Confident89.5Confident9 Ų941.9 Ų41.97%0.07422%0.223CC..Hα-helixtrans-66.5-37.2175.600000111.5E107 Q110 Y134 V135 P140E107-A138 HydrophobicContact CG-CB 4.32Å; Q110-A138 WeakPolarHBondContact CG-O 3.49Å; Q110-A138 PolarHBondContact NE2-O 3.46Å; Y134-A138 HydrophobicContact CD1-CB 4.37Å; Y134-A138 HydrophobicContact CE1-CB 4.21Å; Y134-A138 WeakPolarHBondContact O-CB 3.39Å; Y134-A138 PolarHBondContact O-N 3.5Å; V135-A138 PolarHBondContact O-N 3.38Å; A138-P140 VanDerWaalsContact O-CD 3.25Å; A138-P140 WeakPolarHBondContact O-CD 3.21Å
139L91.1Very high90.1Very high0 Ų046 Ų460%024%0.243CC..  trans-118.277.7-176.1-58.3178.9000111.9V106 L109 Q110 L118 V135 T137 Q141 L142V106-L139 HydrophobicContact CG1-CD1 3.49Å; V106-L139 VanDerWaalsContact CG1-CD1 3.49Å; V106-L139 HydrophobicContact CG1-CG 3.99Å; L109-L139 HydrophobicContact CB-CD1 4.04Å; L109-L139 HydrophobicContact CB-CD2 3.78Å; L109-L139 HydrophobicContact CD1-CD1 4.21Å; Q110-L139 HydrophobicContact CB-CD2 4.47Å; Q110-L139 HydrophobicContact CG-CD2 3.85Å; L118-L139 HydrophobicContact CD2-CD1 3.98Å; V135-L139 HydrophobicContact CG1-CD1 4.32Å; V135-L139 WeakPolarHBondContact O-CB 3.42Å; V135-L139 PolarHBondContact O-N 2.89Å; T137-L139 VanDerWaalsContact C-N 3.35Å; L139-Q141 VanDerWaalsContact C-OE1 3.26Å; L139-Q141 PolarHBondContact O-N 2.84Å; L139-L142 HydrophobicContact CB-CB 4.17Å; L139-L142 WeakPolarHBondContact O-CB 3.44Å; L139-L142 PolarHBondContact O-N 2.81Å
140P88.8Confident90.8Very high92 Ų9238.3 Ų38.360%0.59721%0.207SC*.THydrogen-bonded Turntrans-63.8-22-179.826.4-35.4000113.7A138 L142 R155A138-P140 VanDerWaalsContact O-CD 3.25Å; A138-P140 WeakPolarHBondContact O-CD 3.21Å; P140-L142 VanDerWaalsContact C-N 3.32Å; P140-R155 PolarHBondContact O-NH1 3.48Å
141Q91.8Very high91.2Very high27 Ų2739.8 Ų39.813%0.12621%0.214CC..THydrogen-bonded Turntrans-73.2-21.1179.269-87.438.900114.1L109 Q110 N112 L115 R116 L139L109-Q141 PolarHBondContact O-NE2 3.32Å; L109-Q141 VanDerWaalsContact O-NE2 3.11Å; Q110-Q141 PolarHBondContact O-NE2 3.05Å; N112-Q141 PolarHBondContact O-NE2 2.99Å; L115-Q141 HydrophobicContact CB-CG 4.38Å; L115-Q141 CarbonylContact O-C 3.1Å; L115-Q141 WeakPolarHBondContact O-CG 3.12Å; R116-Q141 PolarHBondContact NH1-O 3.47Å; L139-Q141 VanDerWaalsContact C-OE1 3.26Å; L139-Q141 PolarHBondContact O-N 2.84Å
142L93.8Very high91.2Very high1 Ų147.9 Ų47.91%0.00524%0.244CC..  trans-69135.9-172.9-167.669.8000111.3L115 R116 L118 V135 L139 P140 W144 L145 I150 R155L115-L142 HydrophobicContact CG-CD1 4.32Å; R116-L142 WeakPolarHBondContact O-CD1 3.29Å; L118-L142 HydrophobicContact CB-CD1 3.6Å; L118-L142 HydrophobicContact CB-CD2 3.98Å; L118-L142 HydrophobicContact CB-CG 4.45Å; L118-L142 HydrophobicContact CD2-CD2 4.35Å; V135-L142 HydrophobicContact CG1-CD2 4.14Å; L139-L142 HydrophobicContact CB-CB 4.17Å; L139-L142 WeakPolarHBondContact O-CB 3.44Å; L139-L142 PolarHBondContact O-N 2.81Å; P140-L142 VanDerWaalsContact C-N 3.32Å; L142-W144 WeakPolarHBondContact CD1-O 3.5Å; L142-W144 WeakPolarHBondContact CG-O 3.34Å; L142-L145 HydrophobicContact CD2-CB 3.96Å; L142-L145 HydrophobicContact CD2-CD1 4.11Å; L142-L145 HydrophobicContact CD2-CG 4.5Å; L142-I150 HydrophobicContact CB-CD1 4.08Å; L142-I150 HydrophobicContact CD2-CD1 3.83Å; L142-I150 HydrophobicContact CG-CD1 3.9Å; L142-R155 PolarHBondContact O-NH1 3.47Å; L142-R155 PolarHBondContact O-NH2 2.8Å
143K93.8Very high91.1Very high93 Ų9349.6 Ų49.640%0.40426%0.262SS..  trans-103.4-39.6178.1-173.6178176.1-1770112.2R116 E149 I150R116-K143 HydrophobicContact CB-CB 4.34Å; R116-K143 WeakPolarHBondContact O-CA 3.36Å; R116-K143 PolarHBondContact O-N 3.18Å; K143-E149 WeakPolarHBondContact CE-OE1 3.41Å; K143-E149 IonicContact NZ-OE1 2.8Å; K143-I150 PolarHBondContact O-N 3.46Å
144W95.5Very high91.2Very high86 Ų8647 Ų4733%0.32625%0.25SS..EExtended strand (participates in β ladder)trans-124.7134.7-178.9-57.488000110.2R116 E117 L118 L142 T148 E149R116-W144 PolarHBondContact O-N 3.1Å; E117-W144 HydrophobicContact CG-CB 4.07Å; E117-W144 HydrophobicContact CG-CG 4.21Å; L118-W144 PolarHBondContact N-O 3.31Å; L118-W144 VanDerWaalsContact N-O 3.13Å; L142-W144 WeakPolarHBondContact CD1-O 3.5Å; L142-W144 WeakPolarHBondContact CG-O 3.34Å; W144-T148 WeakPolarHBondContact CA-O 3.19Å; W144-E149 HydrophobicContact CD2-CB 4.21Å; W144-E149 HydrophobicContact CE3-CB 3.82Å; W144-E149 HydrophobicContact CH2-CB 3.94Å; W144-E149 HydrophobicContact CH2-CG 4.47Å; W144-E149 HydrophobicContact CZ2-CB 4.34Å; W144-E149 HydrophobicContact CZ2-CG 4.42Å; W144-E149 HydrophobicContact CZ3-CB 3.69Å
145L94.4Very high91.2Very high0 Ų049.4 Ų49.40%026%0.259CS..EExtended strand (participates in β ladder)trans-129122.1174177.462.4000108.3L118 Y131 R132 V135 V136 L142 G147 T148 I150L118-L145 HydrophobicContact CB-CD1 4.34Å; L118-L145 HydrophobicContact CD2-CD1 4.27Å; L118-L145 HydrophobicContact CG-CD1 4.31Å; L118-L145 WeakPolarHBondContact O-CA 3.26Å; Y131-L145 HydrophobicContact CE2-CD2 4.19Å; R132-L145 HydrophobicContact CG-CD2 3.97Å; R132-L145 PolarHBondContact NH1-O 2.87Å; V135-L145 HydrophobicContact CB-CD2 4.04Å; V135-L145 HydrophobicContact CG1-CD1 3.93Å; V135-L145 HydrophobicContact CG1-CD2 3.89Å; V136-L145 HydrophobicContact CG2-CD2 4.4Å; L142-L145 HydrophobicContact CD2-CB 3.96Å; L142-L145 HydrophobicContact CD2-CD1 4.11Å; L142-L145 HydrophobicContact CD2-CG 4.5Å; L145-G147 VanDerWaalsContact C-N 3.26Å; L145-G147 PolarHBondContact O-N 2.68Å; L145-T148 PolarHBondContact N-O 2.89Å; L145-T148 PolarHBondContact O-N 3.05Å; L145-T148 PolarHBondContact O-OG1 3.25Å; L145-I150 HydrophobicContact CB-CD1 4.03Å; L145-I150 HydrophobicContact CB-CG1 4.23Å
146D91.9Very high91Very high28 Ų2853.7 Ų53.715%0.1528%0.281CS..THydrogen-bonded Turntrans55.140.1177.4-60.6-47.2000113.3L118 F119 L120 V121 Y131 T148L118-D146 PolarHBondContact O-N 2.81Å; F119-D146 WeakPolarHBondContact CA-OD1 3.42Å; L120-D146 PolarHBondContact N-OD1 3.19Å; V121-D146 HydrophobicContact CG2-CB 3.65Å; V121-D146 VanDerWaalsContact CG2-OD1 3.25Å; V121-D146 WeakPolarHBondContact CG2-OD1 3.47Å; V121-D146 PolarHBondContact N-OD1 3.32Å; Y131-D146 PolarHBondContact OH-OD2 2.81Å; D146-T148 PolarHBondContact O-N 3.14Å
147G89Confident90.8Very high47 Ų4761.4 Ų61.449%0.48531%0.31SS..THydrogen-bonded Turntrans75.94.2-179.300000115.1L145L145-G147 VanDerWaalsContact C-N 3.26Å; L145-G147 PolarHBondContact O-N 2.68Å
148T92.2Very high90.5Very high65 Ų6559.8 Ų59.840%0.39930%0.3SS..EExtended strand (participates in β ladder)trans-112.9135.6178.659.50000111.3R132 W144 L145 D146R132-T148 PolarHBondContact NH1-OG1 2.96Å; R132-T148 PolarHBondContact NH2-OG1 3.16Å; W144-T148 WeakPolarHBondContact CA-O 3.19Å; L145-T148 PolarHBondContact N-O 2.89Å; L145-T148 PolarHBondContact O-N 3.05Å; L145-T148 PolarHBondContact O-OG1 3.25Å; D146-T148 PolarHBondContact O-N 3.14Å
149E93.8Very high90.2Very high106 Ų10663 Ų6350%0.49532%0.322SS..EExtended strand (participates in β ladder)trans-73.4134.7178.8-170.1172.2-153.800110.9K143 W144 S151K143-E149 WeakPolarHBondContact CE-OE1 3.41Å; K143-E149 IonicContact NZ-OE1 2.8Å; W144-E149 HydrophobicContact CD2-CB 4.21Å; W144-E149 HydrophobicContact CE3-CB 3.82Å; W144-E149 HydrophobicContact CH2-CB 3.94Å; W144-E149 HydrophobicContact CH2-CG 4.47Å; W144-E149 HydrophobicContact CZ2-CB 4.34Å; W144-E149 HydrophobicContact CZ2-CG 4.42Å; W144-E149 HydrophobicContact CZ3-CB 3.69Å; E149-S151 PolarHBondContact O-N 3.34Å
150I93.1Very high89.7Confident8 Ų870.4 Ų70.44%0.04136%0.357CS..  trans-85.6106.4178.3-58.8160.5000109.1V136 L142 K143 L145 R155V136-I150 HydrophobicContact CG1-CG2 3.78Å; V136-I150 HydrophobicContact CG2-CD1 3.92Å; V136-I150 HydrophobicContact CG2-CG1 4.03Å; V136-I150 HydrophobicContact CG2-CG2 3.9Å; L142-I150 HydrophobicContact CB-CD1 4.08Å; L142-I150 HydrophobicContact CD2-CD1 3.83Å; L142-I150 HydrophobicContact CG-CD1 3.9Å; K143-I150 PolarHBondContact O-N 3.46Å; L145-I150 HydrophobicContact CB-CD1 4.03Å; L145-I150 HydrophobicContact CB-CG1 4.23Å; I150-R155 HydrophobicContact CG2-CG 3.75Å; I150-R155 PolarHBondContact O-NH2 3.24Å
151S92.5Very high89Confident54 Ų5466.9 Ų66.938%0.37834%0.337SS..  trans-69.5153.1178.170.60000112.6E149 S153 E154 R155E149-S151 PolarHBondContact O-N 3.34Å; S151-S153 VanDerWaalsContact C-N 3.27Å; S151-S153 PolarHBondContact O-N 2.86Å; S151-E154 WeakPolarHBondContact O-CB 3.4Å; S151-E154 PolarHBondContact O-N 3.44Å; S151-E154 VanDerWaalsContact O-N 3.16Å; S151-E154 VanDerWaalsContact OG-CB 3.28Å; S151-E154 WeakPolarHBondContact OG-CB 3.35Å; S151-E154 PolarHBondContact OG-N 2.86Å; S151-R155 PolarHBondContact O-N 2.93Å
152R88Confident87.9Confident208 Ų20868.3 Ų68.379%0.78535%0.345SS*.Hα-helixtrans-59.5-38.3176.3-170.8176.8-178.2175.20.9112.3E154 R155 I156R152-E154 VanDerWaalsContact C-N 3.31Å; R152-E154 PolarHBondContact O-N 2.85Å; R152-R155 PolarHBondContact O-N 3.09Å; R152-I156 HydrophobicContact CG-CD1 4.4Å; R152-I156 WeakPolarHBondContact O-CG1 3.49Å; R152-I156 PolarHBondContact O-N 2.99Å
153S89Confident86.7Confident79 Ų7976.3 Ų76.355%0.55238%0.382SS*.Hα-helixtrans-65-35.5178-50.80000112.3S151 R157S151-S153 VanDerWaalsContact C-N 3.27Å; S151-S153 PolarHBondContact O-N 2.86Å; S153-R157 WeakPolarHBondContact O-CG 3.38Å; S153-R157 PolarHBondContact O-N 3.46Å; S153-R157 PolarHBondContact O-NE 3.4Å
154E88.8Confident85.7Confident30 Ų3078.9 Ų78.914%0.1440%0.396CS..Hα-helixtrans-65.4-43.3174-175.5175.5-175.200111.9R132 S151 R152 I156 R157 A158R132-E154 WeakPolarHBondContact CD-OE1 3.4Å; R132-E154 IonicContact CZ-OE1 2.87Å; R132-E154 IonicContact NE-OE1 2.67Å; R132-E154 PolarHBondContact NE-OE1 3.21Å; R132-E154 IonicContact NE-OE2 3.42Å; R132-E154 IonicContact NH2-OE1 3.22Å; R132-E154 IonicContact NH2-OE2 3.4Å; S151-E154 WeakPolarHBondContact O-CB 3.4Å; S151-E154 PolarHBondContact O-N 3.44Å; S151-E154 VanDerWaalsContact O-N 3.16Å; S151-E154 VanDerWaalsContact OG-CB 3.28Å; S151-E154 WeakPolarHBondContact OG-CB 3.35Å; S151-E154 PolarHBondContact OG-N 2.86Å; R152-E154 VanDerWaalsContact C-N 3.31Å; R152-E154 PolarHBondContact O-N 2.85Å; E154-I156 VanDerWaalsContact C-N 3.33Å; E154-I156 PolarHBondContact O-N 2.96Å; E154-R157 PolarHBondContact O-N 3.18Å; E154-A158 WeakPolarHBondContact O-CB 3.48Å; E154-A158 PolarHBondContact O-N 3.04Å
155R88.6Confident84.7Confident65 Ų6575.9 Ų75.925%0.24539%0.387CS..Hα-helixtrans-59-42.9176.1-64.9-177.7-158.1-93.3-6.7112.9V136 P140 L142 I150 S151 R152 A158 S159V136-R155 HydrophobicContact CG1-CB 4.38Å; V136-R155 HydrophobicContact CG1-CG 3.8Å; P140-R155 PolarHBondContact O-NH1 3.48Å; L142-R155 PolarHBondContact O-NH1 3.47Å; L142-R155 PolarHBondContact O-NH2 2.8Å; I150-R155 HydrophobicContact CG2-CG 3.75Å; I150-R155 PolarHBondContact O-NH2 3.24Å; S151-R155 PolarHBondContact O-N 2.93Å; R152-R155 PolarHBondContact O-N 3.09Å; R155-A158 PolarHBondContact O-N 2.91Å; R155-S159 WeakPolarHBondContact O-CB 3.31Å; R155-S159 PolarHBondContact O-N 2.98Å
156I86.1Confident83.8Confident89 Ų8981.6 Ų81.646%0.45641%0.409SS..Hα-helixtrans-63.9-44.8179.9-64.5165.1000110.2R152 E154 S159 Q160R152-I156 HydrophobicContact CG-CD1 4.4Å; R152-I156 WeakPolarHBondContact O-CG1 3.49Å; R152-I156 PolarHBondContact O-N 2.99Å; E154-I156 VanDerWaalsContact C-N 3.33Å; E154-I156 PolarHBondContact O-N 2.96Å; I156-S159 PolarHBondContact O-N 3.41Å; I156-Q160 VanDerWaalsContact O-CG 3.31Å; I156-Q160 WeakPolarHBondContact O-CG 3.43Å; I156-Q160 PolarHBondContact O-N 3.14Å; I156-Q160 VanDerWaalsContact O-N 3.15Å
157R86.6Confident82.8Confident167 Ų16783 Ų8363%0.6342%0.421SS*.Hα-helixtrans-63.5-41.9176.7-70.7-177.4-66.6170.52.5112.1S153 E154 Q160 G161S153-R157 WeakPolarHBondContact O-CG 3.38Å; S153-R157 PolarHBondContact O-N 3.46Å; S153-R157 PolarHBondContact O-NE 3.4Å; E154-R157 PolarHBondContact O-N 3.18Å; R157-Q160 PolarHBondContact O-N 2.97Å; R157-G161 PolarHBondContact O-N 2.68Å
158A83.4Confident82Confident1 Ų183.9 Ų83.91%0.00842%0.417CS..Hα-helixtrans-64.8-43.3178.500000111.6Q133 V136 T137 E154 R155 Q160 G161 L162Q133-A158 HydrophobicContact CB-CB 4.09Å; Q133-A158 HydrophobicContact CG-CB 4.24Å; V136-A158 HydrophobicContact CB-CB 4.37Å; V136-A158 HydrophobicContact CG1-CB 4.07Å; T137-A158 VanDerWaalsContact OG1-CB 3.31Å; T137-A158 WeakPolarHBondContact OG1-CB 3.36Å; T137-A158 PolarHBondContact OG1-O 3.29Å; E154-A158 WeakPolarHBondContact O-CB 3.48Å; E154-A158 PolarHBondContact O-N 3.04Å; R155-A158 PolarHBondContact O-N 2.91Å; A158-Q160 VanDerWaalsContact C-N 3.31Å; A158-Q160 PolarHBondContact O-N 2.94Å; A158-G161 PolarHBondContact O-N 3.26Å; A158-G161 VanDerWaalsContact O-N 3.17Å; A158-L162 PolarHBondContact O-N 2.89Å
159S82.3Confident81.2Confident77 Ų7781 Ų8154%0.53840%0.399SS..Hα-helixtrans-64-31.6177-1790000113.7R155 I156 G161R155-S159 WeakPolarHBondContact O-CB 3.31Å; R155-S159 PolarHBondContact O-N 2.98Å; I156-S159 PolarHBondContact O-N 3.41Å; S159-G161 VanDerWaalsContact C-N 3.33Å
160Q81.1Confident80.3Confident156 Ų15683.9 Ų83.973%0.72941%0.405SS*.Hα-helixtrans-73.3-25.8177.2-72.7170.6-4.500112.6I156 R157 A158I156-Q160 VanDerWaalsContact O-CG 3.31Å; I156-Q160 WeakPolarHBondContact O-CG 3.43Å; I156-Q160 PolarHBondContact O-N 3.14Å; I156-Q160 VanDerWaalsContact O-N 3.15Å; R157-Q160 PolarHBondContact O-N 2.97Å; A158-Q160 VanDerWaalsContact C-N 3.31Å; A158-Q160 PolarHBondContact O-N 2.94Å
161G72.5Confident79.2Confident18 Ų1889.4 Ų89.419%0.18643%0.431CS..THydrogen-bonded Turntrans-96.67-179.400000114.9R157 A158 S159 E163 Q164 V165R157-G161 PolarHBondContact O-N 2.68Å; A158-G161 PolarHBondContact O-N 3.26Å; A158-G161 VanDerWaalsContact O-N 3.17Å; S159-G161 VanDerWaalsContact C-N 3.33Å; G161-E163 PolarHBondContact O-N 3.26Å; G161-Q164 PolarHBondContact O-N 3.35Å; G161-Q164 VanDerWaalsContact O-N 3.14Å; G161-V165 VanDerWaalsContact O-CG2 3.31Å; G161-V165 WeakPolarHBondContact O-CG2 3.44Å; G161-V165 PolarHBondContact O-N 3.32Å
162L69.5Low78.1Confident57 Ų5787.6 Ų87.630%0.29842%0.421SS..Hα-helixtrans-54.6-47.8-166.8-168.4163.2000113.5T137 A158 Q164 V165 R166T137-L162 HydrophobicContact CG2-CB 4.02Å; T137-L162 HydrophobicContact CG2-CD1 3.17Å; T137-L162 HydrophobicContact CG2-CG 3.47Å; T137-L162 VanDerWaalsContact CG2-CG 3.47Å; A158-L162 PolarHBondContact O-N 2.89Å; L162-Q164 PolarHBondContact O-N 3.12Å; L162-V165 PolarHBondContact O-N 2.79Å; L162-R166 HydrophobicContact CD2-CG 4.09Å; L162-R166 WeakPolarHBondContact O-CB 3.35Å; L162-R166 WeakPolarHBondContact O-CG 3.34Å; L162-R166 PolarHBondContact O-N 2.8Å
163E69.8Low77.4Confident168 Ų16878.6 Ų78.679%0.78539%0.388SS*.Hα-helixtrans-66.9-37.2-179.1-78.4-175.3152.300112.9G161 S167G161-E163 PolarHBondContact O-N 3.26Å; E163-S167 WeakPolarHBondContact O-CB 3.3Å; E163-S167 PolarHBondContact O-N 3.05Å; E163-S167 PolarHBondContact O-OG 3.44Å
164Q71Confident76.5Confident148 Ų14879.3 Ų79.369%0.69238%0.382SS*.Hα-helixtrans-70.8-40.6178.1-68.8-179.65.600111G161 L162 S167 T168G161-Q164 PolarHBondContact O-N 3.35Å; G161-Q164 VanDerWaalsContact O-N 3.14Å; L162-Q164 PolarHBondContact O-N 3.12Å; Q164-S167 WeakPolarHBondContact CA-OG 3.1Å; Q164-S167 PolarHBondContact O-OG 2.77Å; Q164-T168 VanDerWaalsContact O-CB 3.26Å; Q164-T168 WeakPolarHBondContact O-CB 2.91Å; Q164-T168 PolarHBondContact O-N 3.22Å; Q164-T168 PolarHBondContact O-OG1 3.19Å
165V74.9Confident75.6Confident23 Ų2381.9 Ų81.914%0.13940%0.4CS..Hα-helixtrans-69-43.8177.7-1780000110Q133 Y134 G161 L162 S167 T168 T169Q133-V165 HydrophobicContact CB-CG2 4.23Å; Y134-V165 HydrophobicContact CD2-CG1 4.01Å; Y134-V165 HydrophobicContact CG-CG1 4.32Å; G161-V165 VanDerWaalsContact O-CG2 3.31Å; G161-V165 WeakPolarHBondContact O-CG2 3.44Å; G161-V165 PolarHBondContact O-N 3.32Å; L162-V165 PolarHBondContact O-N 2.79Å; V165-S167 PolarHBondContact O-N 2.89Å; V165-T168 PolarHBondContact O-N 3.17Å; V165-T169 WeakPolarHBondContact O-CB 3.49Å; V165-T169 PolarHBondContact O-N 3.49Å; V165-T169 PolarHBondContact O-OG1 3.48Å
166R75.8Confident74.5Confident120 Ų12082.9 Ų82.945%0.45340%0.404SS..Hα-helixtrans-60.2-44175.5-82.7-169.3167.1173.8-9.8113.3E107 Y134 L162 R170E107-R166 IonicContact OE1-CZ 3.19Å; E107-R166 IonicContact OE1-NE 2.97Å; E107-R166 IonicContact OE1-NH2 3.75Å; E107-R166 PolarHBondContact OE1-NH2 2.96Å; Y134-R166 HydrophobicContact CD2-CG 4.48Å; Y134-R166 HydrophobicContact CE2-CG 4.01Å; L162-R166 HydrophobicContact CD2-CG 4.09Å; L162-R166 WeakPolarHBondContact O-CB 3.35Å; L162-R166 WeakPolarHBondContact O-CG 3.34Å; L162-R166 PolarHBondContact O-N 2.8Å; R166-R170 VanDerWaalsContact O-CB 3.32Å; R166-R170 WeakPolarHBondContact O-CB 3.41Å; R166-R170 PolarHBondContact O-N 3.48Å
167S70.2Confident73.6Confident57 Ų5782.5 Ų82.540%0.39940%0.402SS..Hα-helixtrans-66.7-39.4177.848.30000111.8E163 Q164 V165 R170 Q171E163-S167 WeakPolarHBondContact O-CB 3.3Å; E163-S167 PolarHBondContact O-N 3.05Å; E163-S167 PolarHBondContact O-OG 3.44Å; Q164-S167 WeakPolarHBondContact CA-OG 3.1Å; Q164-S167 PolarHBondContact O-OG 2.77Å; V165-S167 PolarHBondContact O-N 2.89Å; S167-R170 PolarHBondContact O-N 2.88Å; S167-Q171 WeakPolarHBondContact O-CB 3.38Å; S167-Q171 VanDerWaalsContact O-CG 3.3Å; S167-Q171 WeakPolarHBondContact O-CG 3.39Å; S167-Q171 PolarHBondContact O-N 2.91Å
168T73.8Confident72.6Confident66 Ų6679.9 Ų79.941%0.40540%0.401SS..Hα-helixtrans-70.2-41.7177.9-54.80000112Q164 V165 Q171 G172Q164-T168 VanDerWaalsContact O-CB 3.26Å; Q164-T168 WeakPolarHBondContact O-CB 2.91Å; Q164-T168 PolarHBondContact O-N 3.22Å; Q164-T168 PolarHBondContact O-OG1 3.19Å; V165-T168 PolarHBondContact O-N 3.17Å; T168-Q171 PolarHBondContact O-N 2.88Å; T168-G172 PolarHBondContact O-N 3.15Å
169T74.8Confident71.8Confident4 Ų485.6 Ų85.63%0.02543%0.427CS..Hα-helixtrans-60.1-47.5173.3-62.10000110.4L103 Y134 V165 Q171 G172 E173L103-T169 HydrophobicContact CB-CG2 3.77Å; L103-T169 HydrophobicContact CD2-CG2 3.61Å; L103-T169 HydrophobicContact CG-CG2 4.18Å; Y134-T169 HydrophobicContact CD2-CG2 4.36Å; Y134-T169 HydrophobicContact CE2-CG2 4.15Å; V165-T169 WeakPolarHBondContact O-CB 3.49Å; V165-T169 PolarHBondContact O-N 3.49Å; V165-T169 PolarHBondContact O-OG1 3.48Å; T169-Q171 PolarHBondContact O-N 3.19Å; T169-G172 CarbonylContact O-C 3.43Å; T169-G172 PolarHBondContact O-N 3.42Å; T169-E173 HydrophobicContact CG2-CG 4.32Å; T169-E173 WeakPolarHBondContact O-CB 3.48Å; T169-E173 WeakPolarHBondContact O-CG 3.36Å; T169-E173 PolarHBondContact O-N 3.43Å
170R74.8Confident71.1Confident166 Ų16686.1 Ų86.163%0.62643%0.427SS*.Hα-helixtrans-63.5-44.1179.9-174.5176175.11583.2112.3R166 S167 G172 E173 E174R166-R170 VanDerWaalsContact O-CB 3.32Å; R166-R170 WeakPolarHBondContact O-CB 3.41Å; R166-R170 PolarHBondContact O-N 3.48Å; S167-R170 PolarHBondContact O-N 2.88Å; R170-G172 VanDerWaalsContact C-N 3.32Å; R170-G172 PolarHBondContact O-N 3.47Å; R170-E173 PolarHBondContact O-N 2.92Å; R170-E174 WeakPolarHBondContact CG-OE1 3.44Å; R170-E174 IonicContact NE-OE1 3.59Å; R170-E174 PolarHBondContact NE-OE1 3.42Å; R170-E174 VanDerWaalsContact NE-OE1 3.15Å; R170-E174 WeakPolarHBondContact O-CB 3.04Å; R170-E174 VanDerWaalsContact O-CG 3.27Å; R170-E174 WeakPolarHBondContact O-CG 3.35Å; R170-E174 PolarHBondContact O-N 3.3Å
171Q69.8Low70.2Confident125 Ų12584.6 Ų84.658%0.58442%0.418SS*.Hα-helixtrans-64.3-37.9173.8-73.4177.42.900111.8S167 T168 T169 T175S167-Q171 WeakPolarHBondContact O-CB 3.38Å; S167-Q171 VanDerWaalsContact O-CG 3.3Å; S167-Q171 WeakPolarHBondContact O-CG 3.39Å; S167-Q171 PolarHBondContact O-N 2.91Å; T168-Q171 PolarHBondContact O-N 2.88Å; T169-Q171 PolarHBondContact O-N 3.19Å; Q171-T175 WeakPolarHBondContact O-CB 3.28Å; Q171-T175 VanDerWaalsContact O-CG2 3.24Å; Q171-T175 WeakPolarHBondContact O-CG2 3.44Å; Q171-T175 PolarHBondContact O-N 3.2Å; Q171-T175 PolarHBondContact O-OG1 2.7Å
172G70.4Confident69.6Low15 Ų1585.9 Ų85.916%0.15543%0.427CS..Hα-helixtrans-64.4-43.9175.400000112.7T168 T169 R170 T175 R176T168-G172 PolarHBondContact O-N 3.15Å; T169-G172 CarbonylContact O-C 3.43Å; T169-G172 PolarHBondContact O-N 3.42Å; R170-G172 VanDerWaalsContact C-N 3.32Å; R170-G172 PolarHBondContact O-N 3.47Å; G172-T175 WeakPolarHBondContact CA-OG1 3.25Å; G172-T175 PolarHBondContact O-OG1 3.42Å; G172-R176 WeakPolarHBondContact O-CB 3.42Å; G172-R176 VanDerWaalsContact O-CG 3.25Å; G172-R176 WeakPolarHBondContact O-CG 3.35Å; G172-R176 PolarHBondContact O-N 3.35Å
173E73.2Confident69.2Low20 Ų2087.6 Ų87.69%0.09344%0.436CS..Hα-helixtrans-64.7-46.7175.4-72.2177.5160.300110.2L102 L103 S104 F128 T169 R170 T175 R176 D177L102-E173 HydrophobicContact CD2-CG 4.32Å; L103-E173 PolarHBondContact N-OE1 3.25Å; S104-E173 PolarHBondContact N-OE1 3.34Å; S104-E173 PolarHBondContact OG-OE1 3.25Å; S104-E173 PolarHBondContact OG-OE2 3.26Å; F128-E173 HydrophobicContact CE1-CG 4.39Å; F128-E173 HydrophobicContact CZ-CG 4.04Å; T169-E173 HydrophobicContact CG2-CG 4.32Å; T169-E173 WeakPolarHBondContact O-CB 3.48Å; T169-E173 WeakPolarHBondContact O-CG 3.36Å; T169-E173 PolarHBondContact O-N 3.43Å; R170-E173 PolarHBondContact O-N 2.92Å; E173-T175 PolarHBondContact O-N 3.1Å; E173-R176 PolarHBondContact O-N 2.92Å; E173-D177 WeakPolarHBondContact O-CB 3.24Å; E173-D177 PolarHBondContact O-N 2.91Å
174E68.4Low68.5Low94 Ų9485.3 Ų85.344%0.43943%0.429SS..Hα-helixtrans-62.3-41.4177.6-74.4171.7-171.100112.5R170 L178R170-E174 WeakPolarHBondContact CG-OE1 3.44Å; R170-E174 IonicContact NE-OE1 3.59Å; R170-E174 PolarHBondContact NE-OE1 3.42Å; R170-E174 VanDerWaalsContact NE-OE1 3.15Å; R170-E174 WeakPolarHBondContact O-CB 3.04Å; R170-E174 VanDerWaalsContact O-CG 3.27Å; R170-E174 WeakPolarHBondContact O-CG 3.35Å; R170-E174 PolarHBondContact O-N 3.3Å; E174-L178 WeakPolarHBondContact O-CB 3.26Å; E174-L178 WeakPolarHBondContact O-CD1 3.02Å; E174-L178 WeakPolarHBondContact O-CG 3.08Å; E174-L178 PolarHBondContact O-N 2.86Å
175T70.1Confident67.7Low83 Ų8384 Ų8451%0.50943%0.425SS..Hα-helixtrans-68-42.2177.7470000112.2Q171 G172 E173 L178 E179Q171-T175 WeakPolarHBondContact O-CB 3.28Å; Q171-T175 VanDerWaalsContact O-CG2 3.24Å; Q171-T175 WeakPolarHBondContact O-CG2 3.44Å; Q171-T175 PolarHBondContact O-N 3.2Å; Q171-T175 PolarHBondContact O-OG1 2.7Å; G172-T175 WeakPolarHBondContact CA-OG1 3.25Å; G172-T175 PolarHBondContact O-OG1 3.42Å; E173-T175 PolarHBondContact O-N 3.1Å; T175-L178 PolarHBondContact O-N 2.96Å; T175-E179 WeakPolarHBondContact O-CB 3.42Å; T175-E179 PolarHBondContact O-N 3.02Å
176R67.3Low66.6Low87 Ų8790.5 Ų90.533%0.32845%0.454SS..Hα-helixtrans-66.4-40.3175.1-69.9-179.898.61207.4111.8E127 F128 G172 E173 L178 E179 V180E127-R176 IonicContact OE2-CZ 3.59Å; E127-R176 IonicContact OE2-NH1 2.81Å; E127-R176 PolarHBondContact OE2-NH1 2.98Å; E127-R176 IonicContact OE2-NH2 3.72Å; E127-R176 PolarHBondContact OE2-NH2 3.5Å; F128-R176 VanDerWaalsContact CZ-CD 3.47Å; G172-R176 WeakPolarHBondContact O-CB 3.42Å; G172-R176 VanDerWaalsContact O-CG 3.25Å; G172-R176 WeakPolarHBondContact O-CG 3.35Å; G172-R176 PolarHBondContact O-N 3.35Å; E173-R176 PolarHBondContact O-N 2.92Å; R176-L178 VanDerWaalsContact C-N 3.31Å; R176-L178 PolarHBondContact O-N 2.76Å; R176-E179 PolarHBondContact O-N 3.42Å; R176-V180 WeakPolarHBondContact O-CB 3.43Å; R176-V180 VanDerWaalsContact O-CG2 3.25Å; R176-V180 WeakPolarHBondContact O-CG2 3.33Å; R176-V180 PolarHBondContact O-N 3.03Å
177D65.6Low65.1Low80 Ų8089.1 Ų89.143%0.42846%0.459SS..Hα-helixtrans-62.2-39.9174.2-81.9-9.7000111.8E173 K181E173-D177 WeakPolarHBondContact O-CB 3.24Å; E173-D177 PolarHBondContact O-N 2.91Å; D177-K181 VanDerWaalsContact O-CB 3.32Å; D177-K181 WeakPolarHBondContact O-CB 3.27Å; D177-K181 WeakPolarHBondContact O-CD 3.31Å; D177-K181 WeakPolarHBondContact O-CG 3.36Å; D177-K181 PolarHBondContact O-N 2.77Å
178L66.2Low63.9Low113 Ų11393.7 Ų93.759%0.59247%0.472SS*.Hα-helixtrans-67.5-40.1174.9-73.9168.4000111.8E174 T175 R176 K181 A182E174-L178 WeakPolarHBondContact O-CB 3.26Å; E174-L178 WeakPolarHBondContact O-CD1 3.02Å; E174-L178 WeakPolarHBondContact O-CG 3.08Å; E174-L178 PolarHBondContact O-N 2.86Å; T175-L178 PolarHBondContact O-N 2.96Å; R176-L178 VanDerWaalsContact C-N 3.31Å; R176-L178 PolarHBondContact O-N 2.76Å; L178-K181 PolarHBondContact O-N 2.89Å; L178-A182 WeakPolarHBondContact O-CB 3.25Å; L178-A182 PolarHBondContact O-N 2.76Å
179E67.6Low62.3Low120 Ų12096 Ų9656%0.56149%0.488SS*.Hα-helixtrans-67.4-42.7177.8-167.6171.6-165.500111.5T175 R176 A182 N183T175-E179 WeakPolarHBondContact O-CB 3.42Å; T175-E179 PolarHBondContact O-N 3.02Å; R176-E179 PolarHBondContact O-N 3.42Å; E179-A182 PolarHBondContact O-N 2.67Å; E179-N183 WeakPolarHBondContact O-CB 3.26Å; E179-N183 VanDerWaalsContact O-CG 3.23Å; E179-N183 PolarHBondContact O-N 2.98Å; E179-N183 PolarHBondContact O-ND2 3.31Å
180V66.2Low60.5Low89 Ų89102.9 Ų102.954%0.53953%0.525SS..Hα-helixtrans-61.5-46.4172.4171.70000110.7R176 A182 N183 L184R176-V180 WeakPolarHBondContact O-CB 3.43Å; R176-V180 VanDerWaalsContact O-CG2 3.25Å; R176-V180 WeakPolarHBondContact O-CG2 3.33Å; R176-V180 PolarHBondContact O-N 3.03Å; V180-A182 PolarHBondContact O-N 2.92Å; V180-N183 PolarHBondContact O-N 2.86Å; V180-L184 PolarHBondContact O-N 3.45Å
181K61.7Low59.1Low124 Ų12498.8 Ų98.854%0.53953%0.534SS..Hα-helixtrans-62.5-40.6175.3-75.8169.7-175.6169.40112.2D177 L178 L184 I185D177-K181 VanDerWaalsContact O-CB 3.32Å; D177-K181 WeakPolarHBondContact O-CB 3.27Å; D177-K181 WeakPolarHBondContact O-CD 3.31Å; D177-K181 WeakPolarHBondContact O-CG 3.36Å; D177-K181 PolarHBondContact O-N 2.77Å; L178-K181 PolarHBondContact O-N 2.89Å; K181-L184 WeakPolarHBondContact O-CB 3.42Å; K181-L184 PolarHBondContact O-N 3.28Å; K181-I185 WeakPolarHBondContact O-CD1 3.45Å; K181-I185 WeakPolarHBondContact O-CG1 3.49Å; K181-I185 PolarHBondContact O-N 3.03Å
182A61.5Low57.5Low45 Ų45100.1 Ų100.137%0.37254%0.544SS..Hα-helixtrans-66-42.1178.700000111.6L178 E179 V180 L184 I185 Q186L178-A182 WeakPolarHBondContact O-CB 3.25Å; L178-A182 PolarHBondContact O-N 2.76Å; E179-A182 PolarHBondContact O-N 2.67Å; V180-A182 PolarHBondContact O-N 2.92Å; A182-L184 VanDerWaalsContact C-N 3.31Å; A182-L184 PolarHBondContact O-N 3.31Å; A182-I185 PolarHBondContact O-N 3.14Å; A182-Q186 PolarHBondContact O-N 3.11Å
183N59.6Low56.2Low93 Ų93107.5 Ų107.550%0.49758%0.581SS.*Hα-helixtrans-63.6-37.1173.9-71.5-23.9000111.7E179 V180 I185 T187E179-N183 WeakPolarHBondContact O-CB 3.26Å; E179-N183 VanDerWaalsContact O-CG 3.23Å; E179-N183 PolarHBondContact O-N 2.98Å; E179-N183 PolarHBondContact O-ND2 3.31Å; V180-N183 PolarHBondContact O-N 2.86Å; N183-I185 VanDerWaalsContact C-N 3.32Å; N183-I185 PolarHBondContact O-N 3.43Å; N183-T187 PolarHBondContact O-OG1 3.45Å
184L56.2Low54.3Low120 Ų120112 Ų11263%0.62861%0.609SS**Hα-helixtrans-67.1-30.4173.8-132.281.6000113.3V180 K181 A182 T187 F188V180-L184 PolarHBondContact O-N 3.45Å; K181-L184 WeakPolarHBondContact O-CB 3.42Å; K181-L184 PolarHBondContact O-N 3.28Å; A182-L184 VanDerWaalsContact C-N 3.31Å; A182-L184 PolarHBondContact O-N 3.31Å; L184-T187 PolarHBondContact O-OG1 3.32Å; L184-F188 WeakPolarHBondContact O-CD2 3.37Å
185I54.7Low52.5Low121 Ų121112.8 Ų112.862%0.62162%0.624SS**Hα-helixtrans-81.4-36.4179.3-67.6161.8000110.9K181 A182 N183 T187 F188K181-I185 WeakPolarHBondContact O-CD1 3.45Å; K181-I185 WeakPolarHBondContact O-CG1 3.49Å; K181-I185 PolarHBondContact O-N 3.03Å; A182-I185 PolarHBondContact O-N 3.14Å; N183-I185 VanDerWaalsContact C-N 3.32Å; N183-I185 PolarHBondContact O-N 3.43Å; I185-T187 PolarHBondContact O-N 3.38Å; I185-F188 PolarHBondContact O-N 2.94Å; I185-F188 VanDerWaalsContact O-N 3.09Å
186Q50.2Low50.8Low159 Ų159116.1 Ų116.174%0.74364%0.644SS**Hα-helixtrans-65-22.7177.5-76.9-170.91.100113.4A182 F188A182-Q186 PolarHBondContact O-N 3.11Å; Q186-F188 VanDerWaalsContact C-N 3.28Å; Q186-F188 PolarHBondContact O-N 3.37Å
187T45.9Very low49.3Very low90 Ų90120.2 Ų120.255%0.55266%0.664SS**THydrogen-bonded Turntrans-76.4-7.6173.944.20000114.4N183 L184 I185N183-T187 PolarHBondContact O-OG1 3.45Å; L184-T187 PolarHBondContact O-OG1 3.32Å; I185-T187 PolarHBondContact O-N 3.38Å
188F44.1Very low47.8Very low153 Ų153122.8 Ų122.867%0.67168%0.677SS**  trans-139.689.4-179.1-62.2-78.7000112.7L184 I185 Q186L184-F188 WeakPolarHBondContact O-CD2 3.37Å; I185-F188 PolarHBondContact O-N 2.94Å; I185-F188 VanDerWaalsContact O-N 3.09Å; Q186-F188 VanDerWaalsContact C-N 3.28Å; Q186-F188 PolarHBondContact O-N 3.37Å
189P40.8Very low46.3Very low116 Ų116125.2 Ų125.275%0.75369%0.69SS**  trans-77.7-23.9175.6-9.926.4000113.4
190D36.2Very low45.1Very low147 Ų147124 Ų12479%0.78670%0.695SS**SBendtrans-103.8111.6-171.7-70.4-24.7000110.7L192D190-L192 PolarHBondContact O-N 2.95Å
191G44.6Very low44Very low80 Ų80123.6 Ų123.683%0.82570%0.696SS**  trans-60104.7-174.500000113.1
192L36.3Very low43.2Very low153 Ų153125.6 Ų125.680%0.80171%0.707SS**  trans-133.7110.7150.1-124.986000108.4D190 V194D190-L192 PolarHBondContact O-N 2.95Å; L192-V194 PolarHBondContact O-N 3.26Å; L192-V194 VanDerWaalsContact O-N 3.13Å
193N44.1Very low42Very low171 Ų171131.7 Ų131.791%0.91473%0.733SS**  trans-78.389.5176.2-163.11.5000108.5
194V33.2Very low41.4Very low114 Ų114134.6 Ų134.669%0.69175%0.749SS**  trans-142.7126.4167.5-176.10000109.2L192L192-V194 PolarHBondContact O-N 3.26Å; L192-V194 VanDerWaalsContact O-N 3.13Å
195C30.7Very low40.6Very low111 Ų111138.3 Ų138.375%0.7576%0.76SS**  trans-39.8139.6169-78.20000112.8F197C195-F197 PolarHBondContact O-N 2.83Å
196V34.7Very low40.2Very low153 Ų153141.6 Ų141.693%0.92777%0.773SS**SBendtrans-6287.5157.31790000108.2
197F35Very low39.7Very low173 Ų173139.9 Ų139.976%0.75977%0.769SS**  trans-154.2113.6162.1-158.7-98.3000106.7C195C195-F197 PolarHBondContact O-N 2.83Å
198L35.1Very low39.7Very low134 Ų134144.1 Ų144.170%0.70279%0.787SS**  trans70.184.2-179-67.1148.6000116.8
199L34Very low40.1Very low164 Ų164142.6 Ų142.686%0.85978%0.777SS**  trans-140.672.1139.6-83.8175.4000109.5
200S42.7Very low40.8Very low95 Ų95140.2 Ų140.266%0.66476%0.763SS**  trans-67.1125.2131.551.90000107
201S43.4Very low41.9Very low80 Ų80136.5 Ų136.556%0.55975%0.753SS**SBendtrans110.5123.7167.8-45.70000114.6
202Q43.9Very low42.5Very low166 Ų166140.1 Ų140.178%0.77675%0.748SS**  trans81.982.7154.2-65.3150.6-12.900116.4
203D36.6Very low43.7Very low172 Ų172137.4 Ų137.492%0.9273%0.731SS**  -139.495.7127.9-97.6-36.4000109.3K205D203-K205 PolarHBondContact O-N 2.86Å
204D46.8Very low44.5Very low155 Ų155134.1 Ų134.183%0.82971%0.71SS**  trans-71.7109.8167.3-75.2-55000109.2
205K40.4Very low45.9Very low197 Ų197134 Ų13486%0.85770%0.702SS**  trans-14698.5154-110.4-179-174.8173.30110.8D203 N207D203-K205 PolarHBondContact O-N 2.86Å; K205-N207 PolarHBondContact O-N 3.04Å; K205-N207 VanDerWaalsContact O-N 3.15Å
206E45.6Very low47.3Very low191 Ų191134.5 Ų134.589%0.89369%0.694SS**  trans13.384.7152.7-65.2-174.2156.300116.5
207N40Very low48.9Very low123 Ų123130.7 Ų130.766%0.65867%0.668SS**  trans-147.392.1147.9-126.5-2.9000106.4K205 R209K205-N207 PolarHBondContact O-N 3.04Å; K205-N207 VanDerWaalsContact O-N 3.15Å; N207-R209 PolarHBondContact O-N 3.26Å
208L45.7Very low50.5Low179 Ų179123.6 Ų123.694%0.93764%0.637SS**  trans-71.676.1164.2-8494.7000107.3
209R52.5Low52.1Low121 Ų121123.1 Ų123.146%0.45763%0.626SS.*  trans-72.9139.4157.6-75.6-177.7158.9-143.3-10.2106.9N207 A211 E214 D217N207-R209 PolarHBondContact O-N 3.26Å; R209-A211 PolarHBondContact O-N 3.14Å; R209-E214 HydrophobicContact CB-CG 4.02Å; R209-D217 IonicContact CZ-OD2 2.69Å; R209-D217 IonicContact NH1-OD2 3Å; R209-D217 PolarHBondContact NH1-OD2 3.04Å
210S56.2Low53.7Low65 Ų65122.1 Ų122.146%0.45562%0.617SS.*  trans-65.3139.8178.5-56.80000107.8E212 E213 E214S210-E212 PolarHBondContact O-N 2.77Å; S210-E213 PolarHBondContact N-OE2 2.95Å; S210-E213 WeakPolarHBondContact O-CA 3.32Å; S210-E213 WeakPolarHBondContact O-CB 3.19Å; S210-E213 PolarHBondContact O-N 3.18Å; S210-E214 PolarHBondContact O-N 2.76Å
211A59.3Low55.1Low70 Ų70121.6 Ų121.658%0.57961%0.61SS**Hα-helixtrans-52.2-31.117800000112.2R209 E214 E215R209-A211 PolarHBondContact O-N 3.14Å; A211-E214 PolarHBondContact O-N 3.49Å; A211-E215 WeakPolarHBondContact O-CG 3.16Å; A211-E215 PolarHBondContact O-N 3.39Å
212E57.6Low56.3Low155 Ų155123.6 Ų123.672%0.72462%0.621SS**Hα-helixtrans-64.1-37174.2-59.9177.5174.700113.3S210 Q216S210-E212 PolarHBondContact O-N 2.77Å; E212-Q216 WeakPolarHBondContact O-CB 3.48Å; E212-Q216 PolarHBondContact O-N 2.94Å
213E60Low57.1Low96 Ų96119.4 Ų119.445%0.44961%0.609SS.*Hα-helixtrans-72.8-36.8177.3-66.8172.8161.600110.9S210 Q216 D217S210-E213 PolarHBondContact N-OE2 2.95Å; S210-E213 WeakPolarHBondContact O-CA 3.32Å; S210-E213 WeakPolarHBondContact O-CB 3.19Å; S210-E213 PolarHBondContact O-N 3.18Å; E213-Q216 PolarHBondContact O-N 3.29Å; E213-D217 VanDerWaalsContact O-CB 3.29Å; E213-D217 WeakPolarHBondContact O-CB 3.45Å; E213-D217 PolarHBondContact O-N 3.4Å
214E61.7Low58.3Low102 Ų102114.7 Ų114.748%0.47759%0.59SS.*Hα-helixtrans-70-33.5175.9-64.4-175.8168.700112.8R209 S210 A211 F218 R236R209-E214 HydrophobicContact CB-CG 4.02Å; S210-E214 PolarHBondContact O-N 2.76Å; A211-E214 PolarHBondContact O-N 3.49Å; E214-F218 VanDerWaalsContact O-CB 3.31Å; E214-F218 WeakPolarHBondContact O-CB 3.45Å; E214-F218 PolarHBondContact O-N 3.46Å; E214-F218 VanDerWaalsContact O-N 3.08Å; E214-R236 PolarHBondContact O-NH1 3.33Å
215E61.6Low59.4Low112 Ų112112.5 Ų112.552%0.52357%0.573SS.*Hα-helixtrans-68.5-45.2171.5-79.3-179.7172.900111.6A211 F218 W219A211-E215 WeakPolarHBondContact O-CG 3.16Å; A211-E215 PolarHBondContact O-N 3.39Å; E215-F218 WeakPolarHBondContact O-CB 3.47Å; E215-F218 PolarHBondContact O-N 3.21Å; E215-W219 PolarHBondContact O-N 3.01Å
216Q61.2Low61.1Low121 Ų121105.7 Ų105.757%0.56555%0.548SS*.Hα-helixtrans-65.6-43.9179.5-167.3160.151.100111.2E212 E213 F218 W219 H220E212-Q216 WeakPolarHBondContact O-CB 3.48Å; E212-Q216 PolarHBondContact O-N 2.94Å; E213-Q216 PolarHBondContact O-N 3.29Å; Q216-F218 VanDerWaalsContact C-N 3.29Å; Q216-F218 PolarHBondContact O-N 3.3Å; Q216-W219 PolarHBondContact O-N 3Å; Q216-H220 VanDerWaalsContact CG-CD2 3.46Å; Q216-H220 WeakPolarHBondContact CG-CD2 3.08Å; Q216-H220 WeakPolarHBondContact O-CB 3.41Å; Q216-H220 PolarHBondContact O-CD2 3.49Å; Q216-H220 PolarHBondContact O-N 3.4Å
217D66.9Low62.6Low74 Ų7497.8 Ų97.840%0.39651%0.513SS..Hα-helixtrans-60.9-38.3174.1-80.1-10.7000111.3R209 E213 T221R209-D217 IonicContact CZ-OD2 2.69Å; R209-D217 IonicContact NH1-OD2 3Å; R209-D217 PolarHBondContact NH1-OD2 3.04Å; E213-D217 VanDerWaalsContact O-CB 3.29Å; E213-D217 WeakPolarHBondContact O-CB 3.45Å; E213-D217 PolarHBondContact O-N 3.4Å; D217-T221 WeakPolarHBondContact O-CB 3.3Å; D217-T221 PolarHBondContact O-N 3.31Å; D217-T221 PolarHBondContact O-OG1 2.8Å
218F69.3Low64.3Low24 Ų2499.5 Ų99.511%0.10552%0.517CS..Hα-helixtrans-64.5-46.3176.7178.4-94.1000113E214 E215 Q216 H220 E232 A233 R236E214-F218 VanDerWaalsContact O-CB 3.31Å; E214-F218 WeakPolarHBondContact O-CB 3.45Å; E214-F218 PolarHBondContact O-N 3.46Å; E214-F218 VanDerWaalsContact O-N 3.08Å; E215-F218 WeakPolarHBondContact O-CB 3.47Å; E215-F218 PolarHBondContact O-N 3.21Å; Q216-F218 VanDerWaalsContact C-N 3.29Å; Q216-F218 PolarHBondContact O-N 3.3Å; F218-H220 VanDerWaalsContact C-N 3.34Å; F218-H220 PolarHBondContact O-N 2.89Å; F218-E232 HydrophobicContact CE2-CG 4.01Å; F218-E232 HydrophobicContact CZ-CG 4.29Å; F218-A233 HydrophobicContact CE1-CB 4.21Å; F218-A233 HydrophobicContact CZ-CB 3.94Å; F218-R236 HydrophobicContact CE1-CG 4.49Å; F218-R236 VanDerWaalsContact CG-CZ 3.46Å; F218-R236 VanDerWaalsContact CG-NH1 3.34Å
219W68.4Low65.9Low124 Ų12491.7 Ų91.747%0.4748%0.478SS..Hα-helixtrans-73.3-24.6-179-70.9117.4000113.7E215 Q216 L237E215-W219 PolarHBondContact O-N 3.01Å; Q216-W219 PolarHBondContact O-N 3Å; W219-L237 HydrophobicContact CH2-CD1 4.04Å; W219-L237 HydrophobicContact CH2-CD2 3.56Å; W219-L237 HydrophobicContact CH2-CG 3.59Å; W219-L237 HydrophobicContact CZ2-CD2 3.76Å; W219-L237 HydrophobicContact CZ2-CG 4Å
220H67.8Low67.2Low142 Ų14288.6 Ų88.666%0.65747%0.466SS*.Hα-helixtrans-95.4-20.8179.2-72.6-62.7000114.3Q216 F218 P222Q216-H220 VanDerWaalsContact CG-CD2 3.46Å; Q216-H220 WeakPolarHBondContact CG-CD2 3.08Å; Q216-H220 WeakPolarHBondContact O-CB 3.41Å; Q216-H220 PolarHBondContact O-CD2 3.49Å; Q216-H220 PolarHBondContact O-N 3.4Å; F218-H220 VanDerWaalsContact C-N 3.34Å; F218-H220 PolarHBondContact O-N 2.89Å; H220-P222 WeakPolarHBondContact O-CD 3.34Å
221T72.9Confident68.4Low85 Ų8588.4 Ų88.452%0.52146%0.459SS..SBendtrans-75.2126.5174.8-59.60000109.8D217 C223D217-T221 WeakPolarHBondContact O-CB 3.3Å; D217-T221 PolarHBondContact O-N 3.31Å; D217-T221 PolarHBondContact O-OG1 2.8Å; T221-C223 PolarHBondContact O-N 3.42Å
222P67.9Low69.4Low122 Ų12289 Ų8979%0.79245%0.45SS*.  trans-57.9113.9173.6-23.633.9000111H220H220-P222 WeakPolarHBondContact O-CD 3.34Å
223C61.6Low70.4Confident77 Ų7782.6 Ų82.652%0.5242%0.424SS..  trans-65.4142.8179.5-58.90000111.4T221 S229T221-C223 PolarHBondContact O-N 3.42Å; C223-S229 WeakPolarHBondContact CB-OG 3.31Å
224S62Low71.4Confident74 Ų7479.8 Ų79.852%0.51741%0.411SS..  trans-66.4138.6169.7660000109.2T226 S229S224-T226 PolarHBondContact O-N 3.42Å; S224-T226 PolarHBondContact OG-OG1 2.84Å; S224-T226 VanDerWaalsContact OG-OG1 3.11Å; S224-S229 WeakPolarHBondContact O-CB 3.36Å
225F69.3Low72.3Confident108 Ų10882.5 Ų82.547%0.47442%0.416SS..SBendtrans-75.667.2177.4-167-102.5000109.9V97 N98 F99 G122 P124V97-F225 HydrophobicContact CG1-CE2 4.34Å; V97-F225 HydrophobicContact CG1-CZ 4.41Å; N98-F225 WeakPolarHBondContact O-CE1 3.42Å; N98-F225 WeakPolarHBondContact O-CZ 3.43Å; F99-F225 AromaticContact CD1-CD1 3.46Å; F99-F225 HydrophobicContact CD1-CD1 3.46Å; F99-F225 VanDerWaalsContact CD1-CD1 3.46Å; F99-F225 AromaticContact CD1-CE1 3.36Å; F99-F225 HydrophobicContact CD1-CE1 3.36Å; F99-F225 HydrophobicContact CD1-CG 4.12Å; F99-F225 AromaticContact CD1-CZ 3.97Å; F99-F225 HydrophobicContact CD1-CZ 3.97Å; F99-F225 WeakPolarHBondContact CD1-O 3.3Å; F99-F225 HydrophobicContact CE1-CB 4.41Å; F99-F225 AromaticContact CE1-CD1 3.47Å; F99-F225 HydrophobicContact CE1-CD1 3.47Å; F99-F225 VanDerWaalsContact CE1-CD1 3.47Å; F99-F225 AromaticContact CE1-CD2 3.87Å; F99-F225 HydrophobicContact CE1-CD2 3.87Å; F99-F225 AromaticContact CE1-CE1 3.53Å; F99-F225 HydrophobicContact CE1-CE1 3.53Å; F99-F225 AromaticContact CE1-CE2 3.94Å; F99-F225 HydrophobicContact CE1-CE2 3.94Å; F99-F225 AromaticContact CE1-CG 3.65Å; F99-F225 HydrophobicContact CE1-CG 3.65Å; F99-F225 AromaticContact CE1-CZ 3.77Å; F99-F225 HydrophobicContact CE1-CZ 3.77Å; F99-F225 WeakPolarHBondContact CE1-O 3.42Å; F99-F225 HydrophobicContact CG-CE1 4.29Å; F99-F225 HydrophobicContact CZ-CE2 4.5Å; F99-F225 HydrophobicContact CZ-CZ 4.48Å; G122-F225 WeakPolarHBondContact O-CZ 3.14Å; P124-F225 HydrophobicContact CG-CD1 4.36Å; P124-F225 HydrophobicContact CG-CE1 4.25Å
226T75.9Confident73.2Confident55 Ų5580.5 Ų80.534%0.33740%0.404SS..SBendtrans-122.2150.2178.961.60000110.9F99 S224 E228 S229 R230F99-T226 WeakPolarHBondContact CZ-O 3.38Å; S224-T226 PolarHBondContact O-N 3.42Å; S224-T226 PolarHBondContact OG-OG1 2.84Å; S224-T226 VanDerWaalsContact OG-OG1 3.11Å; T226-E228 PolarHBondContact O-N 3.34Å; T226-S229 PolarHBondContact O-N 3.24Å; T226-S229 WeakPolarHBondContact OG1-CB 3.36Å; T226-S229 PolarHBondContact OG1-N 2.96Å; T226-R230 PolarHBondContact O-N 2.96Å
227P76.2Confident74.3Confident25 Ų2578 Ų7816%0.16239%0.394CS..Hα-helixtrans-56.2-37174.3-26.534.3000113.5N77 Q79 F99 R230 L231N77-P227 HydrophobicContact CB-CB 4.28Å; N77-P227 PolarHBondContact ND2-O 3.13Å; Q79-P227 HydrophobicContact CG-CG 3.97Å; F99-P227 HydrophobicContact CB-CG 4.04Å; F99-P227 HydrophobicContact CD1-CG 4.37Å; F99-P227 HydrophobicContact CD2-CB 4.26Å; F99-P227 HydrophobicContact CD2-CG 3.7Å; F99-P227 HydrophobicContact CE2-CB 4.31Å; F99-P227 HydrophobicContact CE2-CG 4.15Å; F99-P227 HydrophobicContact CG-CG 3.79Å; P227-R230 PolarHBondContact O-N 2.92Å; P227-L231 WeakPolarHBondContact O-CG 3.38Å; P227-L231 PolarHBondContact O-N 3.5Å; P227-L231 VanDerWaalsContact O-N 3.14Å
228E76Confident74.9Confident159 Ų15979 Ų7974%0.74340%0.396SS*.Hα-helixtrans-67.4-45.3-179.4-66.5-170.6159.300112.1T226 R230 L231 E232T226-E228 PolarHBondContact O-N 3.34Å; E228-R230 PolarHBondContact O-N 3.36Å; E228-L231 WeakPolarHBondContact O-CB 3.37Å; E228-L231 PolarHBondContact O-N 3.11Å; E228-L231 VanDerWaalsContact O-N 3.11Å; E228-E232 PolarHBondContact O-N 3.42Å
229S78.8Confident75.4Confident15 Ų1583.2 Ų83.211%0.10542%0.417CS..Hα-helixtrans-60.5-36.9177-177.20000111.9C223 S224 T226 E232 A233C223-S229 WeakPolarHBondContact CB-OG 3.31Å; S224-S229 WeakPolarHBondContact O-CB 3.36Å; T226-S229 PolarHBondContact O-N 3.24Å; T226-S229 WeakPolarHBondContact OG1-CB 3.36Å; T226-S229 PolarHBondContact OG1-N 2.96Å; S229-E232 PolarHBondContact O-N 2.89Å; S229-A233 PolarHBondContact O-N 2.99Å
230R81.6Confident76Confident55 Ų5582.1 Ų82.121%0.20842%0.417CS..Hα-helixtrans-66.9-39.2175.4-168.2178.2-68.6167.2-0.4112.7L55 N76 N77 V97 F99 T226 P227 E228 H234L55-R230 HydrophobicContact CD2-CG 4.43Å; N76-R230 PolarHBondContact O-NH1 3.45Å; N77-R230 VanDerWaalsContact OD1-CD 3.26Å; N77-R230 WeakPolarHBondContact OD1-CD 3.41Å; N77-R230 PolarHBondContact OD1-NH1 2.93Å; V97-R230 PolarHBondContact O-NH1 3.2Å; V97-R230 PolarHBondContact O-NH2 3.23Å; F99-R230 HydrophobicContact CZ-CB 4.32Å; T226-R230 PolarHBondContact O-N 2.96Å; P227-R230 PolarHBondContact O-N 2.92Å; E228-R230 PolarHBondContact O-N 3.36Å; R230-H234 WeakPolarHBondContact O-CB 3.5Å; R230-H234 PolarHBondContact O-N 3.39Å
231L80.1Confident76.6Confident61 Ų6181 Ų8132%0.31941%0.41SS..Hα-helixtrans-65.7-38.7174.6-72.3169.9000111.7L55 P227 E228 H234 R235L55-L231 HydrophobicContact CB-CD2 3.93Å; L55-L231 HydrophobicContact CD1-CD2 3.95Å; L55-L231 HydrophobicContact CD2-CD2 4.17Å; L55-L231 HydrophobicContact CG-CD2 4.22Å; P227-L231 WeakPolarHBondContact O-CG 3.38Å; P227-L231 PolarHBondContact O-N 3.5Å; P227-L231 VanDerWaalsContact O-N 3.14Å; E228-L231 WeakPolarHBondContact O-CB 3.37Å; E228-L231 PolarHBondContact O-N 3.11Å; E228-L231 VanDerWaalsContact O-N 3.11Å; L231-H234 PolarHBondContact O-N 3.31Å; L231-R235 WeakPolarHBondContact O-CB 3.48Å; L231-R235 PolarHBondContact O-N 2.97Å
232E79.9Confident76.9Confident83 Ų8380.3 Ų80.339%0.38840%0.403SS..Hα-helixtrans-64.8-48176.4-169.8-175.2172.300111.5F218 E228 S229 H234 R235 R236F218-E232 HydrophobicContact CE2-CG 4.01Å; F218-E232 HydrophobicContact CZ-CG 4.29Å; E228-E232 PolarHBondContact O-N 3.42Å; S229-E232 PolarHBondContact O-N 2.89Å; E232-H234 PolarHBondContact O-N 3.39Å; E232-R235 WeakPolarHBondContact O-CB 3.36Å; E232-R235 PolarHBondContact O-N 3.37Å; E232-R235 VanDerWaalsContact O-N 3.14Å; E232-R236 PolarHBondContact O-N 3.14Å; E232-R236 IonicContact OE1-CZ 2.81Å; E232-R236 IonicContact OE1-NE 3.61Å; E232-R236 PolarHBondContact OE1-NE 2.94Å; E232-R236 IonicContact OE1-NH2 3.64Å; E232-R236 PolarHBondContact OE1-NH2 3.11Å
233A80.1Confident77.3Confident21 Ų2177.5 Ų77.517%0.17439%0.39CS..Hα-helixtrans-57.9-40.1175.500000111.7F218 S229 L237F218-A233 HydrophobicContact CE1-CB 4.21Å; F218-A233 HydrophobicContact CZ-CB 3.94Å; S229-A233 PolarHBondContact O-N 2.99Å; A233-L237 WeakPolarHBondContact O-CG 3.36Å; A233-L237 PolarHBondContact O-N 3.28Å; A233-L237 VanDerWaalsContact O-N 3.11Å
234H79.3Confident77.9Confident36 Ų3679.8 Ų79.817%0.16740%0.397CS..Hα-helixtrans-64.2-46175.6-170.178.9000112.5D32 L55 R230 L231 E232 R236 L237 E238D32-H234 IonicContact OD1-CE1 3.45Å; D32-H234 PolarHBondContact OD1-CE1 3.39Å; D32-H234 IonicContact OD1-ND1 2.7Å; D32-H234 IonicContact OD1-NE2 3.48Å; D32-H234 PolarHBondContact OD1-NE2 3.47Å; D32-H234 IonicContact OD2-CE1 3.87Å; D32-H234 IonicContact OD2-NE2 2.76Å; L55-H234 HydrophobicContact CD1-CB 4.09Å; L55-H234 HydrophobicContact CD2-CB 4.3Å; R230-H234 WeakPolarHBondContact O-CB 3.5Å; R230-H234 PolarHBondContact O-N 3.39Å; L231-H234 PolarHBondContact O-N 3.31Å; E232-H234 PolarHBondContact O-N 3.39Å; H234-R236 VanDerWaalsContact C-N 3.34Å; H234-R236 PolarHBondContact O-N 2.93Å; H234-L237 PolarHBondContact O-N 3.41Å; H234-E238 PolarHBondContact O-N 3.41Å
235R82.2Confident78.4Confident159 Ų15985.7 Ų85.760%0.641%0.408SS*.Hα-helixtrans-58.4-44.9177.9-172.4-174.4-54.4-166.84.1111.8L231 E232 L237 E238 E239L231-R235 WeakPolarHBondContact O-CB 3.48Å; L231-R235 PolarHBondContact O-N 2.97Å; E232-R235 WeakPolarHBondContact O-CB 3.36Å; E232-R235 PolarHBondContact O-N 3.37Å; E232-R235 VanDerWaalsContact O-N 3.14Å; R235-L237 PolarHBondContact O-N 2.98Å; R235-E238 PolarHBondContact O-N 3.49Å; R235-E239 WeakPolarHBondContact O-CG 3.47Å; R235-E239 PolarHBondContact O-N 2.87Å
236R80.9Confident78.3Confident71 Ų7188.4 Ų88.427%0.26842%0.42SS..Hα-helixtrans-64.2-40.4178-66.9-163-168.1-157.76.5112.2E214 F218 E232 H234 E238 E239 E240E214-R236 PolarHBondContact O-NH1 3.33Å; F218-R236 HydrophobicContact CE1-CG 4.49Å; F218-R236 VanDerWaalsContact CG-CZ 3.46Å; F218-R236 VanDerWaalsContact CG-NH1 3.34Å; E232-R236 PolarHBondContact O-N 3.14Å; E232-R236 IonicContact OE1-CZ 2.81Å; E232-R236 IonicContact OE1-NE 3.61Å; E232-R236 PolarHBondContact OE1-NE 2.94Å; E232-R236 IonicContact OE1-NH2 3.64Å; E232-R236 PolarHBondContact OE1-NH2 3.11Å; H234-R236 VanDerWaalsContact C-N 3.34Å; H234-R236 PolarHBondContact O-N 2.93Å; R236-E238 VanDerWaalsContact C-N 3.31Å; R236-E238 PolarHBondContact O-N 3.3Å; R236-E239 PolarHBondContact O-N 3Å; R236-E240 PolarHBondContact O-N 2.81Å
237L82.3Confident77.4Confident68 Ų6893.5 Ų93.536%0.35644%0.44SS..Hα-helixtrans-63.2-37.6173.5-73166.6000112.5W219 A233 H234 R235 K241W219-L237 HydrophobicContact CH2-CD1 4.04Å; W219-L237 HydrophobicContact CH2-CD2 3.56Å; W219-L237 HydrophobicContact CH2-CG 3.59Å; W219-L237 HydrophobicContact CZ2-CD2 3.76Å; W219-L237 HydrophobicContact CZ2-CG 4Å; A233-L237 WeakPolarHBondContact O-CG 3.36Å; A233-L237 PolarHBondContact O-N 3.28Å; A233-L237 VanDerWaalsContact O-N 3.11Å; H234-L237 PolarHBondContact O-N 3.41Å; R235-L237 PolarHBondContact O-N 2.98Å; L237-K241 WeakPolarHBondContact O-CB 3.2Å; L237-K241 VanDerWaalsContact O-CG 3.31Å; L237-K241 WeakPolarHBondContact O-CG 3.38Å; L237-K241 PolarHBondContact O-N 2.97Å
238E79.8Confident76.5Confident94 Ų9497.9 Ų97.944%0.43947%0.468SS..Hα-helixtrans-68.6-41.2177.5-166-178-176.100111.5H234 R235 R236 K241 N242H234-E238 PolarHBondContact O-N 3.41Å; R235-E238 PolarHBondContact O-N 3.49Å; R236-E238 VanDerWaalsContact C-N 3.31Å; R236-E238 PolarHBondContact O-N 3.3Å; E238-K241 PolarHBondContact O-N 3.44Å; E238-N242 VanDerWaalsContact O-CB 3.31Å; E238-N242 WeakPolarHBondContact O-CB 3.2Å; E238-N242 VanDerWaalsContact O-CG 3.28Å; E238-N242 PolarHBondContact O-N 2.85Å; E238-N242 PolarHBondContact O-ND2 2.77Å
239E81Confident75.5Confident114 Ų11498.8 Ų98.853%0.53347%0.472SS..Hα-helixtrans-60-45.5173.2-73.9170.1-174.800111.4R235 R236 N242 A243R235-E239 WeakPolarHBondContact O-CG 3.47Å; R235-E239 PolarHBondContact O-N 2.87Å; R236-E239 PolarHBondContact O-N 3Å; E239-N242 PolarHBondContact O-N 3Å; E239-A243 WeakPolarHBondContact O-CB 3.39Å; E239-A243 PolarHBondContact O-N 3.35Å
240E79.9Confident74.4Confident100 Ų100106.8 Ų106.847%0.46751%0.506SS..Hα-helixtrans-62.1-45175.6-169-169.816900111.7R236 N242 A243 N244R236-E240 PolarHBondContact O-N 2.81Å; E240-N242 VanDerWaalsContact C-N 3.32Å; E240-N242 PolarHBondContact O-N 3.02Å; E240-A243 PolarHBondContact O-N 3.03Å; E240-N244 WeakPolarHBondContact O-CB 3.48Å; E240-N244 PolarHBondContact O-N 3.19Å; E240-N244 PolarHBondContact O-ND2 2.9Å
241K81.1Confident73.1Confident120 Ų120113.5 Ų113.552%0.52254%0.536SS..Hα-helixtrans-60.8-41.7174.8-78.6175.1179.2175.30111.8L237 E238 N244 R245L237-K241 WeakPolarHBondContact O-CB 3.2Å; L237-K241 VanDerWaalsContact O-CG 3.31Å; L237-K241 WeakPolarHBondContact O-CG 3.38Å; L237-K241 PolarHBondContact O-N 2.97Å; E238-K241 PolarHBondContact O-N 3.44Å; K241-N244 PolarHBondContact O-N 2.8Å; K241-R245 WeakPolarHBondContact O-CB 3.26Å; K241-R245 VanDerWaalsContact O-CG 3.26Å; K241-R245 WeakPolarHBondContact O-CG 3.27Å; K241-R245 PolarHBondContact O-N 3.5Å
242N78.7Confident71.9Confident69 Ų69118 Ų11837%0.36956%0.56SS.*Hα-helixtrans-70.9-35.6179.1-76.4-22.8000111.9E238 E239 E240 R245 K246E238-N242 VanDerWaalsContact O-CB 3.31Å; E238-N242 WeakPolarHBondContact O-CB 3.2Å; E238-N242 VanDerWaalsContact O-CG 3.28Å; E238-N242 PolarHBondContact O-N 2.85Å; E238-N242 PolarHBondContact O-ND2 2.77Å; E239-N242 PolarHBondContact O-N 3Å; E240-N242 VanDerWaalsContact C-N 3.32Å; E240-N242 PolarHBondContact O-N 3.02Å; N242-R245 PolarHBondContact O-N 3.01Å; N242-K246 WeakPolarHBondContact O-CG 3.48Å; N242-K246 PolarHBondContact O-N 3.13Å
243A76.9Confident70.8Confident64 Ų64122.7 Ų122.753%0.52958%0.579SS.*Hα-helixtrans-63.1-44.1171.400000111.2E239 E240 R245 K246E239-A243 WeakPolarHBondContact O-CB 3.39Å; E239-A243 PolarHBondContact O-N 3.35Å; E240-A243 PolarHBondContact O-N 3.03Å; A243-R245 PolarHBondContact O-N 3.44Å; A243-K246 PolarHBondContact O-N 2.97Å
244N73.3Confident69.8Low125 Ų125126.9 Ų126.967%0.66861%0.605SS**Hα-helixtrans-69.2-29.5176.5-75.8-27.5000113.5E240 K241E240-N244 WeakPolarHBondContact O-CB 3.48Å; E240-N244 PolarHBondContact O-N 3.19Å; E240-N244 PolarHBondContact O-ND2 2.9Å; K241-N244 PolarHBondContact O-N 2.8Å
245R72.9Confident68.8Low197 Ų197131 Ų13174%0.74364%0.635SS**Hα-helixtrans-77.8-30.5176.3-80.4176.2175.2-175.6-0.2113.5K241 N242 A243 E247K241-R245 WeakPolarHBondContact O-CB 3.26Å; K241-R245 VanDerWaalsContact O-CG 3.26Å; K241-R245 WeakPolarHBondContact O-CG 3.27Å; K241-R245 PolarHBondContact O-N 3.5Å; N242-R245 PolarHBondContact O-N 3.01Å; A243-R245 PolarHBondContact O-N 3.44Å; R245-E247 PolarHBondContact O-N 3.23Å
246K67.3Low67.7Low165 Ų165132.6 Ų132.672%0.71764%0.641SS**SBendtrans-64.5106.3169.7-76.2174.5-178.4176.50106.5N242 A243N242-K246 WeakPolarHBondContact O-CG 3.48Å; N242-K246 PolarHBondContact O-N 3.13Å; A243-K246 PolarHBondContact O-N 2.97Å
247E57.3Low66.7Low163 Ų163135 Ų13576%0.76266%0.663SS**  trans-46.3137.5172.1-75.4-163.4159.300108.6R245 E249R245-E247 PolarHBondContact O-N 3.23Å; E247-E249 PolarHBondContact O-N 2.9Å
248P57.2Low65.8Low117 Ų117133.6 Ų133.676%0.7666%0.656SS**  trans-54.9117.8177.123.7-32.1000106.6K250P248-K250 PolarHBondContact O-N 3.48Å
249E55.4Low65.1Low177 Ų177133.1 Ų133.183%0.82766%0.656SS**  trans-43.8120.6174.6-72.6-173157.600106.7E247 K251E247-E249 PolarHBondContact O-N 2.9Å; E249-K251 VanDerWaalsContact C-N 3.26Å; E249-K251 PolarHBondContact O-N 2.86Å
250K56.3Low64.2Low184 Ų184130.6 Ų130.680%0.865%0.648SS**  trans-54.898.5180-80.5175.8-179.1164.80106.5P248 N252P248-K250 PolarHBondContact O-N 3.48Å; K250-N252 PolarHBondContact O-N 3.5Å
251K52.5Low63.3Low196 Ų196131 Ų13185%0.85267%0.669SS**  trans-54.3110.4173.1-69.9-175.5179.9-179.30105E249 K253E249-K251 VanDerWaalsContact C-N 3.26Å; E249-K251 PolarHBondContact O-N 2.86Å; K251-K253 PolarHBondContact O-N 2.83Å
252N54.9Low62.4Low154 Ų154131.8 Ų131.882%0.82468%0.679SS**  trans-55.2107.3177.4-74.7-29000105.8K250K250-N252 PolarHBondContact O-N 3.5Å
253K57.1Low61.8Low182 Ų182131 Ų13179%0.79169%0.687SS**PPolyproline II helixtrans-53.8133177.4-68.6176-178.7175.20106K251K251-K253 PolarHBondContact O-N 2.83Å
254P58.6Low61.5Low110 Ų110137.1 Ų137.171%0.71470%0.696SS**PPolyproline II helixtrans-52.8133.5177.521.9-32000108.1R256P254-R256 PolarHBondContact O-N 3.47Å
255P58.4Low61.6Low122 Ų122132.9 Ų132.979%0.79268%0.675SS**PPolyproline II helixtrans-56.2120.9-178.522.5-31.8000107.9T257P255-T257 PolarHBondContact O-N 3.42Å
256R60.6Low61.8Low192 Ų192128.3 Ų128.373%0.72566%0.663SS**PPolyproline II helixtrans-63.4123.8178.4-69.2-179.6173.4-159.8-4.1107.6P254 L258P254-R256 PolarHBondContact O-N 3.47Å; R256-L258 PolarHBondContact O-N 3.3Å
257T60.1Low62.6Low121 Ų121125.4 Ų125.474%0.74266%0.655SS**PPolyproline II helixtrans-66.7119.3177.545.30000109.2P255 I259P255-T257 PolarHBondContact O-N 3.42Å; T257-I259 PolarHBondContact O-N 3.48Å
258L62.3Low63.8Low39 Ų39119.2 Ų119.220%0.20463%0.627CS.*SBendtrans-74.4-11.6-176.8-58.6176.7000113.3R256 I268 M318 Q320R256-L258 PolarHBondContact O-N 3.3Å; L258-I268 HydrophobicContact CB-CD1 4.39Å; L258-I268 HydrophobicContact CD2-CD1 3.28Å; L258-I268 HydrophobicContact CG-CD1 4.44Å; L258-M318 HydrophobicContact CD1-SD 4.2Å; L258-M318 HydrophobicContact CD2-CE 3.67Å; L258-M318 HydrophobicContact CD2-CG 3.99Å; L258-M318 HydrophobicContact CD2-SD 3.73Å; L258-M318 HydrophobicContact CG-SD 4.5Å; L258-Q320 PolarHBondContact O-NE2 3.49Å
259I64.5Low65.1Low85 Ų85116.2 Ų116.244%0.43661%0.605SS.*BIsolated β-bridgetrans-136.8131.9-175.5-52.3173.4000106.7T257T257-I259 PolarHBondContact O-N 3.48Å
260T63.9Low66.4Low60 Ų60111.1 Ų111.137%0.36858%0.581SS.*  trans-67.2156.9173.7-46.90000110D262 G263 R264T260-D262 PolarHBondContact O-N 3.18Å; T260-G263 PolarHBondContact O-N 2.94Å; T260-R264 PolarHBondContact N-O 2.91Å; T260-R264 VanDerWaalsContact N-O 3.16Å
261A60.5Low67.4Low109 Ų109102.9 Ų102.990%0.90155%0.546SS*.THydrogen-bonded Turntrans-53.5-22.4175.600000113.7
262D62.2Low68.8Low136 Ų136102.3 Ų102.373%0.72754%0.544SS*.THydrogen-bonded Turntrans-87.88.1177.1-54.7-39.5000114.4T260 R264T260-D262 PolarHBondContact O-N 3.18Å; D262-R264 VanDerWaalsContact C-N 3.29Å; D262-R264 PolarHBondContact O-N 3.13Å
263G66Low70.2Confident52 Ų5295.6 Ų95.654%0.53651%0.508SS..  trans77.15.9177.200000115.6T260T260-G263 PolarHBondContact O-N 2.94Å
264R70.4Confident71.5Confident193 Ų19390.2 Ų90.273%0.72850%0.497SS*.  trans-76.4130175.7-67.2-176.3-178.9-177.70.7111T260 D262T260-R264 PolarHBondContact N-O 2.91Å; T260-R264 VanDerWaalsContact N-O 3.16Å; D262-R264 VanDerWaalsContact C-N 3.29Å; D262-R264 PolarHBondContact O-N 3.13Å
265V75.9Confident72.9Confident36 Ų3689.6 Ų89.622%0.21848%0.484CS..BIsolated β-bridgetrans-82.7134.2179.2-175.60000109.3Y309 Q320 V322V265-Y309 HydrophobicContact CG1-CD1 3.99Å; V265-Y309 HydrophobicContact CG1-CG 3.9Å; V265-Y309 HydrophobicContact CG2-CD1 3.86Å; V265-Y309 HydrophobicContact CG2-CE1 4.25Å; V265-Q320 HydrophobicContact CG1-CG 4.33Å; V265-V322 HydrophobicContact CB-CG2 3.88Å; V265-V322 HydrophobicContact CG1-CG2 3.82Å; V265-V322 WeakPolarHBondContact O-CG2 3.34Å
266M77.4Confident74.2Confident102 Ų10286.3 Ų86.350%0.50246%0.463SS..  trans-104146-179.4-66.2-69-72.400111.4I268 Q320M266-I268 HydrophobicContact CB-CG1 4.46Å; M266-Q320 PolarHBondContact O-NE2 3.23Å
267N82.9Confident75.4Confident103 Ų10379.9 Ų79.955%0.55144%0.443SS*.  trans-77.8127.7170.3-70.6-6.3000110Q320 V322N267-Q320 CarbonylContact C-O 3.53Å; N267-Q320 WeakPolarHBondContact CA-O 3.46Å; N267-V322 WeakPolarHBondContact OD1-CB 3.33Å; N267-V322 WeakPolarHBondContact OD1-CG2 3.49Å; N267-V322 PolarHBondContact OD1-N 2.86Å
268I82.8Confident76.7Confident34 Ų3477.7 Ų77.717%0.17443%0.43CS..EExtended strand (participates in β ladder)trans-136.2128.9-174.8-62.4172.5000108.9L258 M266 E270 M318 F319 Q320L258-I268 HydrophobicContact CB-CD1 4.39Å; L258-I268 HydrophobicContact CD2-CD1 3.28Å; L258-I268 HydrophobicContact CG-CD1 4.44Å; M266-I268 HydrophobicContact CB-CG1 4.46Å; I268-E270 HydrophobicContact CG2-CG 3.69Å; I268-M318 HydrophobicContact CG2-CG 4.26Å; I268-F319 CarbonylContact O-C 3.54Å; I268-F319 VanDerWaalsContact O-CA 3.29Å; I268-F319 WeakPolarHBondContact O-CA 3Å; I268-Q320 HydrophobicContact CB-CB 4.28Å; I268-Q320 PolarHBondContact N-O 3.01Å; I268-Q320 PolarHBondContact O-N 2.81Å
269N85.1Confident77.7Confident54 Ų5480.3 Ų80.329%0.28944%0.441SS..EExtended strand (participates in β ladder)trans-132.468174.1-173.23.7000110.1P271 K272 L273 F319N269-P271 VanDerWaalsContact C-CD 3.44Å; N269-K272 PolarHBondContact O-N 2.85Å; N269-K272 VanDerWaalsContact OD1-CA 3.29Å; N269-K272 WeakPolarHBondContact OD1-CA 3.48Å; N269-K272 PolarHBondContact OD1-N 2.96Å; N269-L273 PolarHBondContact ND2-N 3.37Å; N269-L273 PolarHBondContact ND2-O 2.83Å; N269-L273 PolarHBondContact OD1-N 2.96Å; N269-F319 HydrophobicContact CB-CD2 3.82Å; N269-F319 HydrophobicContact CB-CE2 3.96Å; N269-F319 WeakPolarHBondContact OD1-CD2 3.24Å
270E81.4Confident78.5Confident69 Ų6978.9 Ų78.932%0.32243%0.434SS..THydrogen-bonded Turntrans-58.6-38.7174.2-61.4-165.8141.900114.8I268 K272 K317 M318I268-E270 HydrophobicContact CG2-CG 3.69Å; E270-K272 PolarHBondContact O-N 3.42Å; E270-K317 HydrophobicContact CB-CB 4.07Å; E270-M318 WeakPolarHBondContact CB-O 3.31Å; E270-M318 HydrophobicContact CG-CE 4.4Å; E270-M318 HydrophobicContact CG-CG 4.19Å; E270-M318 PolarHBondContact N-O 3.17Å; E270-M318 WeakPolarHBondContact OE1-CE 3.45Å; E270-M318 WeakPolarHBondContact OE2-CE 3.4Å; E270-M318 WeakPolarHBondContact OE2-CG 3.33Å; E270-M318 PolarHBondContact OE2-N 2.81Å; E270-M318 VanDerWaalsContact OE2-N 3.17Å
271P76.8Confident78.9Confident12 Ų1284.5 Ų84.58%0.07846%0.456CS..THydrogen-bonded Turntrans-76.6-4.9178.930.3-34.3000113.4N269 L273 K317 M318 F319N269-P271 VanDerWaalsContact C-CD 3.44Å; P271-L273 HydrophobicContact CB-CD1 4.04Å; P271-L273 HydrophobicContact CB-CD2 4.23Å; P271-L273 HydrophobicContact CB-CG 3.76Å; P271-L273 HydrophobicContact CG-CD1 3.66Å; P271-L273 HydrophobicContact CG-CG 3.69Å; P271-L273 PolarHBondContact O-N 2.84Å; P271-K317 HydrophobicContact CB-CB 4.15Å; P271-K317 HydrophobicContact CB-CD 4.31Å; P271-K317 HydrophobicContact CG-CB 4.49Å; P271-M318 WeakPolarHBondContact CD-O 3.31Å; P271-F319 HydrophobicContact CG-CB 4.21Å
272K82.9Confident79.6Confident184 Ų18487.8 Ų87.880%0.845%0.453SS*.  trans52.441.5-175.9-60.3-176.3178.7-177.30112.5N269 E270N269-K272 PolarHBondContact O-N 2.85Å; N269-K272 VanDerWaalsContact OD1-CA 3.29Å; N269-K272 WeakPolarHBondContact OD1-CA 3.48Å; N269-K272 PolarHBondContact OD1-N 2.96Å; E270-K272 PolarHBondContact O-N 3.42Å
273L84.8Confident80Confident13 Ų1386.5 Ų86.57%0.06845%0.446CS..  trans-75140.8178.1-59.1172.1000109.4N269 P271 A291 V292 Y293 V314N269-L273 PolarHBondContact ND2-N 3.37Å; N269-L273 PolarHBondContact ND2-O 2.83Å; N269-L273 PolarHBondContact OD1-N 2.96Å; P271-L273 HydrophobicContact CB-CD1 4.04Å; P271-L273 HydrophobicContact CB-CD2 4.23Å; P271-L273 HydrophobicContact CB-CG 3.76Å; P271-L273 HydrophobicContact CG-CD1 3.66Å; P271-L273 HydrophobicContact CG-CG 3.69Å; P271-L273 PolarHBondContact O-N 2.84Å; L273-A291 WeakPolarHBondContact CD2-O 3.29Å; L273-V292 HydrophobicContact CD1-CG2 4.48Å; L273-Y293 HydrophobicContact CD2-CE2 4.42Å; L273-V314 HydrophobicContact CD1-CG2 4.05Å
274A83.4Confident80.7Confident69 Ų6986.8 Ų86.857%0.5744%0.436SS*.  trans-69.4132.9166.200000108.1A291A274-A291 HydrophobicContact CB-CB 4.12Å; A274-A291 PolarHBondContact O-N 2.66Å
275F88.1Confident81.5Confident96 Ų9677.9 Ų77.942%0.42140%0.403SS..EExtended strand (participates in β ladder)trans-137.6150.3178.473.9-88000110.8L288 D289 L290 F319F275-L288 HydrophobicContact CB-CD1 4.28Å; F275-L288 HydrophobicContact CD2-CD1 4.07Å; F275-D289 CarbonylContact C-O 3.5Å; F275-D289 WeakPolarHBondContact CA-O 3.49Å; F275-L290 HydrophobicContact CB-CD2 3.46Å; F275-L290 VanDerWaalsContact CB-CD2 3.46Å; F275-L290 HydrophobicContact CB-CG 4.37Å; F275-L290 HydrophobicContact CG-CD2 4.46Å; F275-F319 HydrophobicContact CB-CE2 4.38Å; F275-F319 HydrophobicContact CB-CZ 4.06Å; F275-F319 AromaticContact CD1-CE2 3.58Å; F275-F319 HydrophobicContact CD1-CE2 3.58Å; F275-F319 AromaticContact CD1-CZ 3.74Å; F275-F319 HydrophobicContact CD1-CZ 3.74Å; F275-F319 HydrophobicContact CD2-CZ 4.07Å; F275-F319 AromaticContact CE1-CE2 3.98Å; F275-F319 HydrophobicContact CE1-CE2 3.98Å; F275-F319 HydrophobicContact CE1-CZ 4.16Å; F275-F319 HydrophobicContact CE2-CZ 4.46Å; F275-F319 HydrophobicContact CG-CE2 4.01Å; F275-F319 AromaticContact CG-CZ 3.7Å; F275-F319 HydrophobicContact CG-CZ 3.7Å
276S85.6Confident82Confident53 Ų5376.1 Ų76.137%0.37139%0.393SS..EExtended strand (participates in β ladder)trans-128.9134.9167.769.30000109.1L288 D289S276-L288 WeakPolarHBondContact O-CA 3.33Å; S276-D289 PolarHBondContact N-O 2.85Å; S276-D289 PolarHBondContact O-N 3.07Å
277L86.8Confident82.5Confident58 Ų5872.5 Ų72.530%0.30438%0.376SS..EExtended strand (participates in β ladder)trans-116.3115.5176.8-173.569000106.9V286 L288 L323 P324L277-V286 HydrophobicContact CD1-CG1 3.54Å; L277-V286 HydrophobicContact CG-CG1 4.21Å; L277-L288 HydrophobicContact CB-CD1 4.46Å; L277-L288 HydrophobicContact CD1-CB 3.8Å; L277-L288 HydrophobicContact CD1-CD1 4.07Å; L277-L288 HydrophobicContact CD1-CG 4.49Å; L277-L323 HydrophobicContact CD1-CD2 4.49Å; L277-P324 HydrophobicContact CD2-CG 4.21Å
278T86.3Confident82.9Confident75 Ų7567.6 Ų67.646%0.4635%0.35SS..EExtended strand (participates in β ladder)trans-123.3145.8-176.652.40000109.8V287T278-V287 PolarHBondContact N-O 2.83Å; T278-V287 PolarHBondContact O-N 2.63Å; T278-V287 PolarHBondContact OG1-O 3.33Å
279E84.2Confident83.2Confident93 Ų9368 Ų6844%0.43535%0.353SS..EExtended strand (participates in β ladder)trans-106.4114.8177.1-55-173.8158.700107.1E281 P324 R349E279-E281 PolarHBondContact O-N 3.14Å; E279-P324 WeakPolarHBondContact OE1-CB 3.49Å; E279-P324 WeakPolarHBondContact OE1-CG 3.15Å; E279-R349 IonicContact OE1-NH2 2.88Å; E279-R349 PolarHBondContact OE1-NH2 3.34Å; E279-R349 IonicContact OE2-CZ 3.78Å; E279-R349 IonicContact OE2-NH2 2.91Å; E279-R349 PolarHBondContact OE2-NH2 3.08Å
280D80Confident83.5Confident56 Ų5665.5 Ų65.530%0.29934%0.339SS..EExtended strand (participates in β ladder)trans-90.4100.3176.5-172.5-11.7000108.4E282 N283 D284 A285D280-E282 PolarHBondContact O-N 2.96Å; D280-E282 WeakPolarHBondContact OD1-CB 3.45Å; D280-E282 PolarHBondContact OD1-N 3.11Å; D280-N283 PolarHBondContact OD1-N 2.87Å; D280-N283 PolarHBondContact OD2-ND2 3.38Å; D280-D284 WeakPolarHBondContact O-CA 3.29Å; D280-D284 PolarHBondContact O-N 3.18Å; D280-A285 PolarHBondContact N-O 3.45Å; D280-A285 PolarHBondContact O-N 2.87Å
281E73.9Confident83.8Confident177 Ų17763.8 Ų63.883%0.82734%0.337SS*.THydrogen-bonded Turntrans-66.3-23.5178.5-65.4-173.5170.800112.6E279E279-E281 PolarHBondContact O-N 3.14Å
282E74.1Confident84.2Confident178 Ų17863.8 Ų63.883%0.83234%0.336SS*.THydrogen-bonded Turntrans-78.8-33.3-178.2-167.5168.5-162.300111.6D280D280-E282 PolarHBondContact O-N 2.96Å; D280-E282 WeakPolarHBondContact OD1-CB 3.45Å; D280-E282 PolarHBondContact OD1-N 3.11Å
283N71.8Confident84.2Confident109 Ų10960.8 Ų60.858%0.58332%0.321SS*.THydrogen-bonded Turntrans-106.84.8-179.2-65.4-60.6000114.2D280 A285D280-N283 PolarHBondContact OD1-N 2.87Å; D280-N283 PolarHBondContact OD2-ND2 3.38Å; N283-A285 HydrophobicContact CB-CB 4.43Å; N283-A285 PolarHBondContact O-N 3.4Å
284D80.8Confident84.1Confident59 Ų5967.2 Ų67.232%0.31634%0.344SS..THydrogen-bonded Turntrans47.344.9-176.9-162.922.2000112.1D280 R349 G352D280-D284 WeakPolarHBondContact O-CA 3.29Å; D280-D284 PolarHBondContact O-N 3.18Å; D284-R349 PolarHBondContact O-N 3.04Å; D284-R349 VanDerWaalsContact OD1-CD 3.27Å; D284-R349 WeakPolarHBondContact OD1-CD 3.37Å; D284-G352 WeakPolarHBondContact OD2-CA 3.46Å
285A86Confident83.9Confident5 Ų571.7 Ų71.74%0.04135%0.353CS..EExtended strand (participates in β ladder)trans-133.7139.9-171.900000111.8D280 N283 T346 M347D280-A285 PolarHBondContact N-O 3.45Å; D280-A285 PolarHBondContact O-N 2.87Å; N283-A285 HydrophobicContact CB-CB 4.43Å; N283-A285 PolarHBondContact O-N 3.4Å; A285-T346 HydrophobicContact CB-CG2 4.15Å; A285-M347 CarbonylContact C-O 3.56Å; A285-M347 WeakPolarHBondContact CA-O 3.39Å
286V86.6Confident83.6Confident0 Ų067.4 Ų67.40%033%0.334CS..EExtended strand (participates in β ladder)trans-89.9123.3170.1-177.70000108.1L277 L323 V327 M347 R349L277-V286 HydrophobicContact CD1-CG1 3.54Å; L277-V286 HydrophobicContact CG-CG1 4.21Å; V286-L323 HydrophobicContact CG1-CD2 4.45Å; V286-V327 HydrophobicContact CB-CG1 4.34Å; V286-V327 HydrophobicContact CG2-CG1 4.17Å; V286-M347 HydrophobicContact CB-CE 4.35Å; V286-M347 HydrophobicContact CG1-CE 4.03Å; V286-M347 PolarHBondContact N-O 3.26Å; V286-M347 PolarHBondContact O-N 2.77Å; V286-R349 HydrophobicContact CG2-CG 4.04Å
287V89Confident83.4Confident26 Ų2670.1 Ų70.116%0.15835%0.345CS..EExtended strand (participates in β ladder)trans-111.4118.5-179.6-176.20000109.7T278 V344 L345 T346T278-V287 PolarHBondContact N-O 2.83Å; T278-V287 PolarHBondContact O-N 2.63Å; T278-V287 PolarHBondContact OG1-O 3.33Å; V287-V344 HydrophobicContact CG1-CG1 3.65Å; V287-L345 CarbonylContact C-O 3.56Å; V287-L345 WeakPolarHBondContact CA-O 3.19Å; V287-T346 HydrophobicContact CG2-CG2 4.29Å
288L89.6Confident83Confident0 Ų071.9 Ų71.90%036%0.358CS..EExtended strand (participates in β ladder)trans-106.1113173.7172.468.1000109.1F275 S276 L277 L290 A310 F319 V321 L345 M347F275-L288 HydrophobicContact CB-CD1 4.28Å; F275-L288 HydrophobicContact CD2-CD1 4.07Å; S276-L288 WeakPolarHBondContact O-CA 3.33Å; L277-L288 HydrophobicContact CB-CD1 4.46Å; L277-L288 HydrophobicContact CD1-CB 3.8Å; L277-L288 HydrophobicContact CD1-CD1 4.07Å; L277-L288 HydrophobicContact CD1-CG 4.49Å; L288-L290 HydrophobicContact CD1-CD2 4.49Å; L288-L290 HydrophobicContact CD1-CG 4.31Å; L288-L290 HydrophobicContact CD2-CD1 3.9Å; L288-L290 HydrophobicContact CD2-CG 4.29Å; L288-L290 HydrophobicContact CG-CD1 4.16Å; L288-L290 HydrophobicContact CG-CG 4.05Å; L288-A310 HydrophobicContact CD2-CB 4.31Å; L288-F319 HydrophobicContact CD2-CE1 4.2Å; L288-V321 HydrophobicContact CD1-CG1 4.43Å; L288-V321 HydrophobicContact CD2-CG1 3.93Å; L288-L345 HydrophobicContact CB-CB 4.22Å; L288-L345 HydrophobicContact CD2-CD2 4.28Å; L288-L345 PolarHBondContact N-O 3.08Å; L288-L345 PolarHBondContact O-N 3.01Å; L288-M347 HydrophobicContact CB-CE 3.86Å
289D90.8Very high82.9Confident43 Ų4373.6 Ų73.623%0.2337%0.373CS..EExtended strand (participates in β ladder)trans-99.3121.7171.8178.815.8000109.8F275 S276 H342 V344F275-D289 CarbonylContact C-O 3.5Å; F275-D289 WeakPolarHBondContact CA-O 3.49Å; S276-D289 PolarHBondContact N-O 2.85Å; S276-D289 PolarHBondContact O-N 3.07Å; D289-H342 WeakPolarHBondContact OD1-CB 3.17Å; D289-H342 IonicContact OD1-CG 2.68Å; D289-H342 IonicContact OD1-ND1 3.95Å; D289-H342 PolarHBondContact OD1-ND1 2.85Å; D289-H342 IonicContact OD2-CE1 2.88Å; D289-H342 IonicContact OD2-ND1 3.7Å; D289-H342 PolarHBondContact OD2-ND1 3.15Å; D289-V344 HydrophobicContact CB-CG2 4.48Å
290L90.2Very high82.8Confident1 Ų173.4 Ų73.41%0.00538%0.375CS..EExtended strand (participates in β ladder)trans-114.9120.6178.4-73.1162.5000109.6F275 L288 V292 V312 F319 H342 L343F275-L290 HydrophobicContact CB-CD2 3.46Å; F275-L290 VanDerWaalsContact CB-CD2 3.46Å; F275-L290 HydrophobicContact CB-CG 4.37Å; F275-L290 HydrophobicContact CG-CD2 4.46Å; L288-L290 HydrophobicContact CD1-CD2 4.49Å; L288-L290 HydrophobicContact CD1-CG 4.31Å; L288-L290 HydrophobicContact CD2-CD1 3.9Å; L288-L290 HydrophobicContact CD2-CG 4.29Å; L288-L290 HydrophobicContact CG-CD1 4.16Å; L288-L290 HydrophobicContact CG-CG 4.05Å; L290-V292 HydrophobicContact CB-CG2 4.19Å; L290-V292 PolarHBondContact O-N 3.4Å; L290-V312 HydrophobicContact CD1-CB 4.15Å; L290-V312 HydrophobicContact CD1-CG1 4.38Å; L290-V312 HydrophobicContact CD1-CG2 3.63Å; L290-F319 HydrophobicContact CD1-CD1 4.14Å; L290-F319 HydrophobicContact CD1-CE1 4.22Å; L290-F319 HydrophobicContact CD2-CD1 3.87Å; L290-F319 HydrophobicContact CD2-CD2 4.22Å; L290-F319 HydrophobicContact CD2-CE1 3.58Å; L290-F319 HydrophobicContact CD2-CE2 3.95Å; L290-F319 HydrophobicContact CD2-CG 4.18Å; L290-F319 HydrophobicContact CD2-CZ 3.63Å; L290-F319 HydrophobicContact CG-CE1 4.44Å; L290-H342 WeakPolarHBondContact O-CA 3.27Å; L290-L343 HydrophobicContact CB-CB 4.26Å; L290-L343 HydrophobicContact CD1-CD2 4.27Å; L290-L343 PolarHBondContact N-O 2.69Å; L290-L343 PolarHBondContact O-N 3.4Å
291A88.9Confident83Confident33 Ų3372.1 Ų72.127%0.27337%0.367SS..EExtended strand (participates in β ladder)trans-76.792.6175.400000110.4L273 A274L273-A291 WeakPolarHBondContact CD2-O 3.29Å; A274-A291 HydrophobicContact CB-CB 4.12Å; A274-A291 PolarHBondContact O-N 2.66Å
292V84.8Confident83.6Confident11 Ų1169 Ų697%0.06736%0.356CS..  trans-93.3160.2-179.9-174.70000110.3L273 L290 R294 M296 G341 L343L273-V292 HydrophobicContact CD1-CG2 4.48Å; L290-V292 HydrophobicContact CB-CG2 4.19Å; L290-V292 PolarHBondContact O-N 3.4Å; V292-R294 PolarHBondContact O-N 3.26Å; V292-M296 HydrophobicContact CG1-CE 3.12Å; V292-M296 HydrophobicContact CG1-SD 4.07Å; V292-G341 CarbonylContact C-O 3.37Å; V292-G341 VanDerWaalsContact C-O 3.25Å; V292-G341 VanDerWaalsContact CA-O 3.27Å; V292-G341 WeakPolarHBondContact CA-O 3.35Å; V292-G341 VanDerWaalsContact CB-O 3.26Å; V292-G341 WeakPolarHBondContact CB-O 3.48Å; V292-G341 PolarHBondContact N-O 2.7Å; V292-G341 CarbonylContact O-C 3.54Å; V292-G341 WeakPolarHBondContact O-CA 3.38Å; V292-L343 HydrophobicContact CG2-CB 3.73Å; V292-L343 HydrophobicContact CG2-CD2 4.39Å
293Y83.6Confident84.3Confident122 Ų12262.7 Ų62.748%0.47833%0.33SS..  trans-59.8132.8179-56.6-83.4000112.1L273 H295 M296 V314 R336L273-Y293 HydrophobicContact CD2-CE2 4.42Å; Y293-H295 VanDerWaalsContact C-N 3.34Å; Y293-H295 PolarHBondContact O-N 3.46Å; Y293-M296 HydrophobicContact CD2-SD 3.95Å; Y293-M296 WeakPolarHBondContact O-CB 3.47Å; Y293-M296 PolarHBondContact O-N 3.03Å; Y293-V314 HydrophobicContact CD2-CG1 4.47Å; Y293-V314 HydrophobicContact CE2-CG1 4.42Å; Y293-R336 PolarHBondContact O-NH2 2.87Å
294R81.8Confident85.2Confident147 Ų14759.3 Ų59.356%0.55531%0.312SS*.THydrogen-bonded Turntrans-55.6-40.6-175.6-171.8178.3-177.2-177.8-2.1114.2V292 R336 T339V292-R294 PolarHBondContact O-N 3.26Å; R294-R336 PolarHBondContact O-NH2 3.38Å; R294-T339 PolarHBondContact NE-O 2.8Å
295H79.4Confident85.6Confident164 Ų16457.5 Ų57.576%0.75930%0.303SS*.THydrogen-bonded Turntrans-106.234.8-176.4-54.7-66000113Y293Y293-H295 VanDerWaalsContact C-N 3.34Å; Y293-H295 PolarHBondContact O-N 3.46Å
296M81.5Confident85.6Confident6 Ų660.7 Ų60.73%0.0332%0.316CS..  trans-96.2131.9178.8-164.5168.485.200111.9V292 Y293 L300 M301 V314 K315 R336V292-M296 HydrophobicContact CG1-CE 3.12Å; V292-M296 HydrophobicContact CG1-SD 4.07Å; Y293-M296 HydrophobicContact CD2-SD 3.95Å; Y293-M296 WeakPolarHBondContact O-CB 3.47Å; Y293-M296 PolarHBondContact O-N 3.03Å; M296-L300 HydrophobicContact CG-CB 4.4Å; M296-M301 HydrophobicContact CB-CE 4.46Å; M296-M301 HydrophobicContact CE-CB 4.1Å; M296-M301 HydrophobicContact CE-CE 3.44Å; M296-M301 VanDerWaalsContact CE-CE 3.44Å; M296-M301 HydrophobicContact CG-CE 4.39Å; M296-V314 HydrophobicContact CE-CB 4.35Å; M296-V314 HydrophobicContact CE-CG1 3.56Å; M296-V314 HydrophobicContact CE-CG2 4.17Å; M296-V314 HydrophobicContact SD-CG1 3.58Å; M296-V314 VanDerWaalsContact SD-CG1 3.58Å; M296-K315 HydrophobicContact SD-CD 4.4Å; M296-K315 HydrophobicContact SD-CG 3.97Å; M296-R336 PolarHBondContact O-NH1 2.81Å; M296-R336 PolarHBondContact O-NH2 3.07Å
297D80.8Confident85.5Confident110 Ų11063 Ų6359%0.58833%0.332SS*.  trans-68.2144.8177.3-68-30.7000111.9S299 L300 M301D297-S299 PolarHBondContact O-N 3.09Å; D297-L300 PolarHBondContact O-N 3Å; D297-L300 VanDerWaalsContact O-N 3.13Å; D297-M301 WeakPolarHBondContact O-CE 3.45Å
298T79.8Confident85.3Confident95 Ų9565.1 Ų65.158%0.58335%0.345SS*.G310 helixtrans-64.1-20.5176490000112.8L300 M301T298-L300 VanDerWaalsContact C-N 3.26Å; T298-L300 PolarHBondContact O-N 3.06Å; T298-M301 HydrophobicContact CG2-SD 4.47Å; T298-M301 VanDerWaalsContact O-CG 3.24Å; T298-M301 WeakPolarHBondContact O-CG 3.47Å
299S83.9Confident85.3Confident111 Ų11166.9 Ų66.978%0.77635%0.351SS*.G310 helixtrans-72.6-18.7175.9-48.30000113.4D297D297-S299 PolarHBondContact O-N 3.09Å
300L82.5Confident85.1Confident89 Ų8964.8 Ų64.847%0.46634%0.34SS..G310 helixtrans-97.810.6-179-64.3174.9000112.8M296 D297 T298 K315M296-L300 HydrophobicContact CG-CB 4.4Å; D297-L300 PolarHBondContact O-N 3Å; D297-L300 VanDerWaalsContact O-N 3.13Å; T298-L300 VanDerWaalsContact C-N 3.26Å; T298-L300 PolarHBondContact O-N 3.06Å; L300-K315 PolarHBondContact O-N 3.37Å; L300-K315 VanDerWaalsContact O-N 3.07Å
301M83.5Confident85.1Confident29 Ų2968.9 Ų68.914%0.14336%0.356CS..EExtended strand (participates in β ladder)trans-129.3142.3175.560.7-172.379.900110.9M296 D297 T298 S313 R336M296-M301 HydrophobicContact CB-CE 4.46Å; M296-M301 HydrophobicContact CE-CB 4.1Å; M296-M301 HydrophobicContact CE-CE 3.44Å; M296-M301 VanDerWaalsContact CE-CE 3.44Å; M296-M301 HydrophobicContact CG-CE 4.39Å; D297-M301 WeakPolarHBondContact O-CE 3.45Å; T298-M301 HydrophobicContact CG2-SD 4.47Å; T298-M301 VanDerWaalsContact O-CG 3.24Å; T298-M301 WeakPolarHBondContact O-CG 3.47Å; M301-S313 WeakPolarHBondContact CA-O 3.33Å; M301-R336 VanDerWaalsContact CE-CD 3.44Å
302D86.9Confident85.1Confident111 Ų11167.3 Ų67.359%0.59434%0.343SS*.EExtended strand (participates in β ladder)trans-135.1137.3173.8-170.923.8000108.7V312 S313D302-V312 CarbonylContact O-C 3.6Å; D302-V312 WeakPolarHBondContact O-CA 3.46Å; D302-S313 PolarHBondContact N-O 3.26Å; D302-S313 VanDerWaalsContact N-O 3.14Å; D302-S313 PolarHBondContact O-N 2.79Å
303V88.9Confident85.3Confident46 Ų4668.8 Ų68.828%0.27935%0.354SS..EExtended strand (participates in β ladder)trans-125.2117.9-174.4-179.40000108.2V305 V312 A334 L343 L345V303-V305 HydrophobicContact CG1-CG2 4.2Å; V303-V312 HydrophobicContact CG1-CG2 4.35Å; V303-V312 HydrophobicContact CG2-CG1 4.24Å; V303-V312 HydrophobicContact CG2-CG2 4.33Å; V303-A334 HydrophobicContact CG1-CB 4.34Å; V303-L343 HydrophobicContact CG2-CD2 4.03Å; V303-L345 HydrophobicContact CG1-CD1 3.79Å; V303-L345 HydrophobicContact CG1-CD2 4.31Å
304D89.9Confident85.5Confident38 Ų3863.1 Ų63.120%0.20333%0.332CS..EExtended strand (participates in β ladder)trans-121.3121.7179.6177.120.5000108.7Q306 R311D304-Q306 PolarHBondContact OD1-NE2 3.34Å; D304-R311 HydrophobicContact CB-CB 4.38Å; D304-R311 PolarHBondContact N-O 2.8Å; D304-R311 PolarHBondContact O-N 2.87Å; D304-R311 IonicContact OD2-CZ 3.05Å; D304-R311 IonicContact OD2-NE 3.29Å; D304-R311 PolarHBondContact OD2-NE 3.23Å; D304-R311 IonicContact OD2-NH2 3.65Å; D304-R311 PolarHBondContact OD2-NH2 2.86Å
305V88.4Confident85.5Confident21 Ų2162.4 Ų62.413%0.12733%0.333CS..EExtended strand (participates in β ladder)trans-114119.6-178.1-174.10000108.1V303 V327 P329 L345 M347V303-V305 HydrophobicContact CG1-CG2 4.2Å; V305-V327 HydrophobicContact CG1-CG2 4.08Å; V305-P329 WeakPolarHBondContact O-CB 3.31Å; V305-L345 HydrophobicContact CG2-CD1 3.98Å; V305-L345 HydrophobicContact CG2-CD2 3.82Å; V305-L345 HydrophobicContact CG2-CG 4.35Å; V305-M347 HydrophobicContact CG1-CG 4.06Å; V305-M347 HydrophobicContact CG1-SD 3.85Å
306Q87.1Confident85.4Confident71 Ų7157.9 Ų57.933%0.33233%0.33SS..  trans-111.3158.4173-62.8-62.7-36.800109.3D304 T308 Y309D304-Q306 PolarHBondContact OD1-NE2 3.34Å; Q306-T308 PolarHBondContact O-N 2.85Å; Q306-T308 VanDerWaalsContact O-N 3.08Å; Q306-Y309 CarbonylContact C-O 3.26Å; Q306-Y309 WeakPolarHBondContact CA-O 3.46Å; Q306-Y309 HydrophobicContact CB-CD1 3.92Å; Q306-Y309 HydrophobicContact CB-CD2 4.36Å; Q306-Y309 HydrophobicContact CB-CE1 3.75Å; Q306-Y309 HydrophobicContact CB-CE2 4.2Å; Q306-Y309 HydrophobicContact CB-CG 4.23Å; Q306-Y309 WeakPolarHBondContact CB-O 3.29Å; Q306-Y309 HydrophobicContact CG-CD1 4.45Å; Q306-Y309 HydrophobicContact CG-CD2 4.43Å; Q306-Y309 HydrophobicContact CG-CE1 3.85Å; Q306-Y309 HydrophobicContact CG-CE2 3.82Å; Q306-Y309 PolarHBondContact N-O 2.85Å; Q306-Y309 PolarHBondContact O-N 2.77Å
307P85.4Confident85.6Confident50 Ų5062.8 Ų62.833%0.32535%0.351SS..SBendtrans-55.2-31.4-178.9-27.535.3000113.8E326 V327P307-E326 WeakPolarHBondContact O-CA 3.35Å; P307-V327 PolarHBondContact O-N 3.02Å
308T83.7Confident85.7Confident69 Ų6959.7 Ų59.742%0.42333%0.334SS..SBendtrans-106.6-13.8-175.353.90000114.5Q306 L323Q306-T308 PolarHBondContact O-N 2.85Å; Q306-T308 VanDerWaalsContact O-N 3.08Å; T308-L323 PolarHBondContact O-N 3.47Å
309Y88.8Confident86.1Confident37 Ų3755.3 Ų55.315%0.14531%0.307CS..EExtended strand (participates in β ladder)trans-155.5154.4-178.868-90.8000112.5V265 Q306 R311 Q320 V321V265-Y309 HydrophobicContact CG1-CD1 3.99Å; V265-Y309 HydrophobicContact CG1-CG 3.9Å; V265-Y309 HydrophobicContact CG2-CD1 3.86Å; V265-Y309 HydrophobicContact CG2-CE1 4.25Å; Q306-Y309 CarbonylContact C-O 3.26Å; Q306-Y309 WeakPolarHBondContact CA-O 3.46Å; Q306-Y309 HydrophobicContact CB-CD1 3.92Å; Q306-Y309 HydrophobicContact CB-CD2 4.36Å; Q306-Y309 HydrophobicContact CB-CE1 3.75Å; Q306-Y309 HydrophobicContact CB-CE2 4.2Å; Q306-Y309 HydrophobicContact CB-CG 4.23Å; Q306-Y309 WeakPolarHBondContact CB-O 3.29Å; Q306-Y309 HydrophobicContact CG-CD1 4.45Å; Q306-Y309 HydrophobicContact CG-CD2 4.43Å; Q306-Y309 HydrophobicContact CG-CE1 3.85Å; Q306-Y309 HydrophobicContact CG-CE2 3.82Å; Q306-Y309 PolarHBondContact N-O 2.85Å; Q306-Y309 PolarHBondContact O-N 2.77Å; Y309-R311 HydrophobicContact CD2-CB 4.4Å; Y309-R311 HydrophobicContact CE2-CB 4.32Å; Y309-Q320 HydrophobicContact CD2-CG 4.09Å; Y309-V321 CarbonylContact C-O 3.57Å; Y309-V321 VanDerWaalsContact CA-O 3.31Å; Y309-V321 WeakPolarHBondContact CA-O 3.43Å; Y309-V321 WeakPolarHBondContact CB-O 3.45Å
310A88.4Confident86.3Confident0 Ų050.2 Ų50.20%027%0.271CS..EExtended strand (participates in β ladder)trans-114.2135.4170.500000110L288 Q320 V321 L323 L345 M347L288-A310 HydrophobicContact CD2-CB 4.31Å; A310-Q320 WeakPolarHBondContact O-CA 3.48Å; A310-V321 HydrophobicContact CB-CG1 4.33Å; A310-V321 PolarHBondContact N-O 3.4Å; A310-V321 PolarHBondContact O-N 2.76Å; A310-L323 HydrophobicContact CB-CD2 4.18Å; A310-L345 HydrophobicContact CB-CD2 3.97Å; A310-M347 HydrophobicContact CB-SD 4.11Å
311R88.8Confident86.6Confident86 Ų8646.3 Ų46.333%0.32525%0.251SS..EExtended strand (participates in β ladder)trans-123.4130.9179.3-178.817261.4-179.7-1.3110.4D304 Y309 F319D304-R311 HydrophobicContact CB-CB 4.38Å; D304-R311 PolarHBondContact N-O 2.8Å; D304-R311 PolarHBondContact O-N 2.87Å; D304-R311 IonicContact OD2-CZ 3.05Å; D304-R311 IonicContact OD2-NE 3.29Å; D304-R311 PolarHBondContact OD2-NE 3.23Å; D304-R311 IonicContact OD2-NH2 3.65Å; D304-R311 PolarHBondContact OD2-NH2 2.86Å; Y309-R311 HydrophobicContact CD2-CB 4.4Å; Y309-R311 HydrophobicContact CE2-CB 4.32Å; R311-F319 CarbonylContact C-O 3.53Å; R311-F319 VanDerWaalsContact CA-O 3.31Å; R311-F319 WeakPolarHBondContact CA-O 3.48Å
312V90.1Very high86.8Confident0 Ų047.7 Ų47.70%026%0.261CS..EExtended strand (participates in β ladder)trans-128.2119.5177.6-175.90000109.2L290 D302 V303 V314 F319 L343L290-V312 HydrophobicContact CD1-CB 4.15Å; L290-V312 HydrophobicContact CD1-CG1 4.38Å; L290-V312 HydrophobicContact CD1-CG2 3.63Å; D302-V312 CarbonylContact O-C 3.6Å; D302-V312 WeakPolarHBondContact O-CA 3.46Å; V303-V312 HydrophobicContact CG1-CG2 4.35Å; V303-V312 HydrophobicContact CG2-CG1 4.24Å; V303-V312 HydrophobicContact CG2-CG2 4.33Å; V312-V314 HydrophobicContact CG1-CG2 4.01Å; V312-F319 HydrophobicContact CB-CB 4.39Å; V312-F319 HydrophobicContact CB-CD1 4.49Å; V312-F319 PolarHBondContact N-O 2.83Å; V312-F319 WeakPolarHBondContact O-CB 3.41Å; V312-F319 PolarHBondContact O-N 2.81Å; V312-L343 HydrophobicContact CG1-CD2 3.88Å; V312-L343 HydrophobicContact CG2-CD2 4.47Å
313S88.5Confident86.8Confident43 Ų4343 Ų4330%0.30124%0.235SC..EExtended strand (participates in β ladder)trans-90.3129.7172.2-174.90000109.4M301 D302M301-S313 WeakPolarHBondContact CA-O 3.33Å; D302-S313 PolarHBondContact N-O 3.26Å; D302-S313 VanDerWaalsContact N-O 3.14Å; D302-S313 PolarHBondContact O-N 2.79Å
314V86.9Confident86.5Confident2 Ų244.3 Ų44.31%0.01225%0.245CC..EExtended strand (participates in β ladder)trans-132.4114.2177.3172.70000109.3L273 Y293 M296 V312 G316 K317L273-V314 HydrophobicContact CD1-CG2 4.05Å; Y293-V314 HydrophobicContact CD2-CG1 4.47Å; Y293-V314 HydrophobicContact CE2-CG1 4.42Å; M296-V314 HydrophobicContact CE-CB 4.35Å; M296-V314 HydrophobicContact CE-CG1 3.56Å; M296-V314 HydrophobicContact CE-CG2 4.17Å; M296-V314 HydrophobicContact SD-CG1 3.58Å; M296-V314 VanDerWaalsContact SD-CG1 3.58Å; V312-V314 HydrophobicContact CG1-CG2 4.01Å; V314-G316 PolarHBondContact O-N 2.84Å; V314-K317 PolarHBondContact N-O 2.9Å; V314-K317 PolarHBondContact O-N 2.78Å
315K81.4Confident86.2Confident132 Ų13243.9 Ų43.957%0.57425%0.247SC*.THydrogen-bonded Turntrans50.338.3-177.8-62.1-175.2174.5-1770113M296 L300 K317M296-K315 HydrophobicContact SD-CD 4.4Å; M296-K315 HydrophobicContact SD-CG 3.97Å; L300-K315 PolarHBondContact O-N 3.37Å; L300-K315 VanDerWaalsContact O-N 3.07Å; K315-K317 VanDerWaalsContact C-N 3.28Å; K315-K317 PolarHBondContact O-N 2.83Å
316G78.3Confident86Confident69 Ų6948.2 Ų48.271%0.71127%0.266SS*.THydrogen-bonded Turntrans76.84.4-179.300000115.6V314V314-G316 PolarHBondContact O-N 2.84Å
317K85Confident86Confident109 Ų10945 Ų4547%0.47425%0.251SS..EExtended strand (participates in β ladder)trans-99.3138.6170-64.5-176.7-179.1179.60110E270 P271 V314 K315E270-K317 HydrophobicContact CB-CB 4.07Å; P271-K317 HydrophobicContact CB-CB 4.15Å; P271-K317 HydrophobicContact CB-CD 4.31Å; P271-K317 HydrophobicContact CG-CB 4.49Å; V314-K317 PolarHBondContact N-O 2.9Å; V314-K317 PolarHBondContact O-N 2.78Å; K315-K317 VanDerWaalsContact C-N 3.28Å; K315-K317 PolarHBondContact O-N 2.83Å
318M84.5Confident86.1Confident46 Ų4647.5 Ų47.523%0.22726%0.256CS..EExtended strand (participates in β ladder)trans-96133.3-177.655.6-126.6169.700113L258 I268 E270 P271L258-M318 HydrophobicContact CD1-SD 4.2Å; L258-M318 HydrophobicContact CD2-CE 3.67Å; L258-M318 HydrophobicContact CD2-CG 3.99Å; L258-M318 HydrophobicContact CD2-SD 3.73Å; L258-M318 HydrophobicContact CG-SD 4.5Å; I268-M318 HydrophobicContact CG2-CG 4.26Å; E270-M318 WeakPolarHBondContact CB-O 3.31Å; E270-M318 HydrophobicContact CG-CE 4.4Å; E270-M318 HydrophobicContact CG-CG 4.19Å; E270-M318 PolarHBondContact N-O 3.17Å; E270-M318 WeakPolarHBondContact OE1-CE 3.45Å; E270-M318 WeakPolarHBondContact OE2-CE 3.4Å; E270-M318 WeakPolarHBondContact OE2-CG 3.33Å; E270-M318 PolarHBondContact OE2-N 2.81Å; E270-M318 VanDerWaalsContact OE2-N 3.17Å; P271-M318 WeakPolarHBondContact CD-O 3.31Å
319F87.3Confident86.2Confident2 Ų246.6 Ų46.61%0.00925%0.252CS..EExtended strand (participates in β ladder)trans-108.4128.1162.2179.2-90.2000108.2I268 N269 P271 F275 L288 L290 R311 V312 V321I268-F319 CarbonylContact O-C 3.54Å; I268-F319 VanDerWaalsContact O-CA 3.29Å; I268-F319 WeakPolarHBondContact O-CA 3Å; N269-F319 HydrophobicContact CB-CD2 3.82Å; N269-F319 HydrophobicContact CB-CE2 3.96Å; N269-F319 WeakPolarHBondContact OD1-CD2 3.24Å; P271-F319 HydrophobicContact CG-CB 4.21Å; F275-F319 HydrophobicContact CB-CE2 4.38Å; F275-F319 HydrophobicContact CB-CZ 4.06Å; F275-F319 AromaticContact CD1-CE2 3.58Å; F275-F319 HydrophobicContact CD1-CE2 3.58Å; F275-F319 AromaticContact CD1-CZ 3.74Å; F275-F319 HydrophobicContact CD1-CZ 3.74Å; F275-F319 HydrophobicContact CD2-CZ 4.07Å; F275-F319 AromaticContact CE1-CE2 3.98Å; F275-F319 HydrophobicContact CE1-CE2 3.98Å; F275-F319 HydrophobicContact CE1-CZ 4.16Å; F275-F319 HydrophobicContact CE2-CZ 4.46Å; F275-F319 HydrophobicContact CG-CE2 4.01Å; F275-F319 AromaticContact CG-CZ 3.7Å; F275-F319 HydrophobicContact CG-CZ 3.7Å; L288-F319 HydrophobicContact CD2-CE1 4.2Å; L290-F319 HydrophobicContact CD1-CD1 4.14Å; L290-F319 HydrophobicContact CD1-CE1 4.22Å; L290-F319 HydrophobicContact CD2-CD1 3.87Å; L290-F319 HydrophobicContact CD2-CD2 4.22Å; L290-F319 HydrophobicContact CD2-CE1 3.58Å; L290-F319 HydrophobicContact CD2-CE2 3.95Å; L290-F319 HydrophobicContact CD2-CG 4.18Å; L290-F319 HydrophobicContact CD2-CZ 3.63Å; L290-F319 HydrophobicContact CG-CE1 4.44Å; R311-F319 CarbonylContact C-O 3.53Å; R311-F319 VanDerWaalsContact CA-O 3.31Å; R311-F319 WeakPolarHBondContact CA-O 3.48Å; V312-F319 HydrophobicContact CB-CB 4.39Å; V312-F319 HydrophobicContact CB-CD1 4.49Å; V312-F319 PolarHBondContact N-O 2.83Å; V312-F319 WeakPolarHBondContact O-CB 3.41Å; V312-F319 PolarHBondContact O-N 2.81Å; F319-V321 HydrophobicContact CE1-CB 3.94Å; F319-V321 HydrophobicContact CE1-CG1 3.85Å; F319-V321 HydrophobicContact CZ-CB 4.15Å; F319-V321 HydrophobicContact CZ-CG1 4.41Å
320Q88.6Confident86Confident5 Ų552.4 Ų52.42%0.02329%0.285CS..EExtended strand (participates in β ladder)trans-137.8131.4177.6-173.2177.1-74.500108.6L258 V265 M266 N267 I268 Y309 A310L258-Q320 PolarHBondContact O-NE2 3.49Å; V265-Q320 HydrophobicContact CG1-CG 4.33Å; M266-Q320 PolarHBondContact O-NE2 3.23Å; N267-Q320 CarbonylContact C-O 3.53Å; N267-Q320 WeakPolarHBondContact CA-O 3.46Å; I268-Q320 HydrophobicContact CB-CB 4.28Å; I268-Q320 PolarHBondContact N-O 3.01Å; I268-Q320 PolarHBondContact O-N 2.81Å; Y309-Q320 HydrophobicContact CD2-CG 4.09Å; A310-Q320 WeakPolarHBondContact O-CA 3.48Å
321V88.8Confident85.9Confident6 Ų655.7 Ų55.74%0.03631%0.308CS..EExtended strand (participates in β ladder)trans-133.9132.9176.569.30000109.8L288 Y309 A310 F319L288-V321 HydrophobicContact CD1-CG1 4.43Å; L288-V321 HydrophobicContact CD2-CG1 3.93Å; Y309-V321 CarbonylContact C-O 3.57Å; Y309-V321 VanDerWaalsContact CA-O 3.31Å; Y309-V321 WeakPolarHBondContact CA-O 3.43Å; Y309-V321 WeakPolarHBondContact CB-O 3.45Å; A310-V321 HydrophobicContact CB-CG1 4.33Å; A310-V321 PolarHBondContact N-O 3.4Å; A310-V321 PolarHBondContact O-N 2.76Å; F319-V321 HydrophobicContact CE1-CB 3.94Å; F319-V321 HydrophobicContact CE1-CG1 3.85Å; F319-V321 HydrophobicContact CZ-CB 4.15Å; F319-V321 HydrophobicContact CZ-CG1 4.41Å
322V86.9Confident85.9Confident58 Ų5852.8 Ų52.835%0.35230%0.301SS..EExtended strand (participates in β ladder)trans-71.7130.2170.9176.70000108.3V265 N267V265-V322 HydrophobicContact CB-CG2 3.88Å; V265-V322 HydrophobicContact CG1-CG2 3.82Å; V265-V322 WeakPolarHBondContact O-CG2 3.34Å; N267-V322 WeakPolarHBondContact OD1-CB 3.33Å; N267-V322 WeakPolarHBondContact OD1-CG2 3.49Å; N267-V322 PolarHBondContact OD1-N 2.86Å
323L87.1Confident85.9Confident12 Ų1255.9 Ų55.96%0.06332%0.32CS..  trans-82.6143-179.6-61.8172.3000109.8L277 V286 T308 A310 A325 V327 M347L277-L323 HydrophobicContact CD1-CD2 4.49Å; V286-L323 HydrophobicContact CG1-CD2 4.45Å; T308-L323 PolarHBondContact O-N 3.47Å; A310-L323 HydrophobicContact CB-CD2 4.18Å; L323-A325 VanDerWaalsContact C-N 3.28Å; L323-A325 PolarHBondContact O-N 3.22Å; L323-V327 HydrophobicContact CD1-CB 4.37Å; L323-V327 HydrophobicContact CD1-CG1 4.04Å; L323-V327 HydrophobicContact CD1-CG2 3.41Å; L323-V327 VanDerWaalsContact CD1-CG2 3.41Å; L323-M347 HydrophobicContact CD1-SD 3.87Å; L323-M347 HydrophobicContact CD2-CE 3.63Å; L323-M347 HydrophobicContact CD2-SD 3.93Å
324P82.5Confident86Confident75 Ų7556.4 Ų56.449%0.48733%0.327SS..SBendtrans-72.6-22.2-17927.9-35.6000113.1L277 E279L277-P324 HydrophobicContact CD2-CG 4.21Å; E279-P324 WeakPolarHBondContact OE1-CB 3.49Å; E279-P324 WeakPolarHBondContact OE1-CG 3.15Å
325A83.4Confident86.1Confident29 Ų2965.3 Ų65.324%0.2436%0.361CS..SBendtrans-136.5155.3178.300000110L323 R349L323-A325 VanDerWaalsContact C-N 3.28Å; L323-A325 PolarHBondContact O-N 3.22Å; A325-R349 HydrophobicContact CB-CG 4.2Å
326E84.6Confident86.4Confident112 Ų11261.5 Ų61.552%0.52334%0.343SS..  trans-67.1133.6173.6-66.8-170.7174.100110.4P307 R349 A350P307-E326 WeakPolarHBondContact O-CA 3.35Å; E326-R349 CarbonylContact O-C 3.54Å; E326-R349 WeakPolarHBondContact O-CA 3.44Å; E326-A350 HydrophobicContact CB-CB 3.91Å; E326-A350 WeakPolarHBondContact O-CB 3.36Å; E326-A350 PolarHBondContact O-N 3.19Å
327V87.8Confident86.7Confident3 Ų359.9 Ų59.92%0.01832%0.32CS..BIsolated β-bridgetrans-117.6155.3-178.6-60.90000111.9V286 V305 P307 L323 P329 M347 P348V286-V327 HydrophobicContact CB-CG1 4.34Å; V286-V327 HydrophobicContact CG2-CG1 4.17Å; V305-V327 HydrophobicContact CG1-CG2 4.08Å; P307-V327 PolarHBondContact O-N 3.02Å; L323-V327 HydrophobicContact CD1-CB 4.37Å; L323-V327 HydrophobicContact CD1-CG1 4.04Å; L323-V327 HydrophobicContact CD1-CG2 3.41Å; L323-V327 VanDerWaalsContact CD1-CG2 3.41Å; V327-P329 VanDerWaalsContact O-CD 3.26Å; V327-P329 WeakPolarHBondContact O-CD 3.41Å; V327-M347 HydrophobicContact CB-CB 3.92Å; V327-M347 HydrophobicContact CG1-CB 3.77Å; V327-M347 HydrophobicContact CG2-CB 4.19Å; V327-P348 CarbonylContact C-O 3.58Å; V327-P348 VanDerWaalsContact CA-O 3.26Å; V327-P348 WeakPolarHBondContact CA-O 3.26Å; V327-P348 WeakPolarHBondContact CB-O 3.44Å
328K86.9Confident86.5Confident102 Ų10261.7 Ų61.744%0.44333%0.331SS..  trans-87.2107.2173.3-66.6-179.8-176.1167.40109.8D330 S331 S332 P348 A350K328-D330 VanDerWaalsContact C-N 3.3Å; K328-D330 PolarHBondContact O-N 2.76Å; K328-S331 PolarHBondContact O-N 2.85Å; K328-S332 PolarHBondContact O-N 2.82Å; K328-S332 PolarHBondContact O-OG 2.95Å; K328-P348 PolarHBondContact N-O 3.18Å; K328-A350 HydrophobicContact CG-CB 4.25Å
329P85.1Confident86.1Confident50 Ų5064.2 Ų64.233%0.32535%0.349SS..G310 helixtrans-63.7-37-178.226.3-34.3000111.7V305 V327 S331 S332V305-P329 WeakPolarHBondContact O-CB 3.31Å; V327-P329 VanDerWaalsContact O-CD 3.26Å; V327-P329 WeakPolarHBondContact O-CD 3.41Å; P329-S331 PolarHBondContact O-N 2.79Å; P329-S331 VanDerWaalsContact O-N 3.14Å; P329-S332 WeakPolarHBondContact O-CB 3.39Å; P329-S332 PolarHBondContact O-N 2.92Å
330D85.7Confident85.9Confident159 Ų15968.2 Ų68.285%0.8537%0.374SS*.G310 helixtrans-62.9-24.3-178-58.6-26.5000114K328K328-D330 VanDerWaalsContact C-N 3.3Å; K328-D330 PolarHBondContact O-N 2.76Å
331S85.9Confident85.6Confident69 Ų6968 Ų6848%0.48337%0.373SS..G310 helixtrans-104.81.3-179.5-55.20000112.9K328 P329 P348K328-S331 PolarHBondContact O-N 2.85Å; P329-S331 PolarHBondContact O-N 2.79Å; P329-S331 VanDerWaalsContact O-N 3.14Å; S331-P348 WeakPolarHBondContact O-CD 3.33Å
332S88.6Confident85.6Confident25 Ų2571 Ų7118%0.17539%0.386CS..  trans-77.3141.1-178.6-64.10000110.7K328 P329 T346K328-S332 PolarHBondContact O-N 2.82Å; K328-S332 PolarHBondContact O-OG 2.95Å; P329-S332 WeakPolarHBondContact O-CB 3.39Å; P329-S332 PolarHBondContact O-N 2.92Å; S332-T346 CarbonylContact C-O 3.4Å; S332-T346 WeakPolarHBondContact CA-O 3.42Å
333T89.5Confident85.7Confident66 Ų6668.5 Ų68.541%0.40537%0.371SS..EExtended strand (participates in β ladder)trans-126.8135.4178.963.60000111T346T333-T346 PolarHBondContact N-O 2.85Å; T333-T346 PolarHBondContact O-N 2.85Å
334A90.6Very high85.9Confident54 Ų5470.2 Ų70.245%0.44638%0.381SS..EExtended strand (participates in β ladder)trans-110125.3175.500000109.3V303 L345V303-A334 HydrophobicContact CG1-CB 4.34Å; A334-L345 HydrophobicContact CB-CD1 3.58Å
335R89.9Confident86.3Confident189 Ų18966.8 Ų66.871%0.71336%0.359SS*.EExtended strand (participates in β ladder)trans-127.2126.9178.2-66.3-173.7178.6-171.30.9110.3V344R335-V344 PolarHBondContact N-O 3.46Å; R335-V344 PolarHBondContact O-N 3Å
336R87.2Confident86.6Confident51 Ų5167.7 Ų67.719%0.19236%0.362CS..EExtended strand (participates in β ladder)trans-104.6132174.5-179.3177.4179.5-92.3-7.8110.7Y293 R294 M296 M301 H342 L343Y293-R336 PolarHBondContact O-NH2 2.87Å; R294-R336 PolarHBondContact O-NH2 3.38Å; M296-R336 PolarHBondContact O-NH1 2.81Å; M296-R336 PolarHBondContact O-NH2 3.07Å; M301-R336 VanDerWaalsContact CE-CD 3.44Å; R336-H342 WeakPolarHBondContact CA-O 3.42Å; R336-L343 HydrophobicContact CB-CD1 4.13Å
337S86.1Confident86.9Confident35 Ų3562.3 Ų62.325%0.24534%0.337CS..  trans-86.2117167.2178.30000110.5T339 T340 G341 H342S337-T339 VanDerWaalsContact C-N 3.28Å; S337-T339 PolarHBondContact OG-OG1 3.25Å; S337-T340 WeakPolarHBondContact CB-OG1 3.49Å; S337-T340 PolarHBondContact OG-N 3.06Å; S337-T340 VanDerWaalsContact OG-N 3.14Å; S337-T340 PolarHBondContact OG-OG1 3.14Å; S337-G341 VanDerWaalsContact O-CA 3.3Å; S337-G341 WeakPolarHBondContact O-CA 3.08Å; S337-G341 PolarHBondContact O-N 2.97Å; S337-H342 PolarHBondContact N-O 3.48Å
338Q79.4Confident87Confident148 Ų14863.9 Ų63.969%0.69235%0.347SS*.THydrogen-bonded Turntrans-71.6-25.5175.7-62.8-174.5500112.4
339T77.5Confident86.9Confident99 Ų9961.8 Ų61.861%0.60734%0.336SS*.THydrogen-bonded Turntrans-85.9-40.1-177.150.10000112.3R294 S337R294-T339 PolarHBondContact NE-O 2.8Å; S337-T339 VanDerWaalsContact C-N 3.28Å; S337-T339 PolarHBondContact OG-OG1 3.25Å
340T81.7Confident86.5Confident86 Ų8661.1 Ų61.153%0.52834%0.335SS..THydrogen-bonded Turntrans-99-19.6-178.265.20000113.5S337 H342S337-T340 WeakPolarHBondContact CB-OG1 3.49Å; S337-T340 PolarHBondContact OG-N 3.06Å; S337-T340 VanDerWaalsContact OG-N 3.14Å; S337-T340 PolarHBondContact OG-OG1 3.14Å; T340-H342 VanDerWaalsContact C-N 3.28Å; T340-H342 PolarHBondContact O-CD2 3.21Å; T340-H342 PolarHBondContact O-N 3.23Å
341G82.4Confident85.4Confident0 Ų061.6 Ų61.60%033%0.332CS..  trans83.1-3.3-178.300000114.7V292 S337V292-G341 CarbonylContact C-O 3.37Å; V292-G341 VanDerWaalsContact C-O 3.25Å; V292-G341 VanDerWaalsContact CA-O 3.27Å; V292-G341 WeakPolarHBondContact CA-O 3.35Å; V292-G341 VanDerWaalsContact CB-O 3.26Å; V292-G341 WeakPolarHBondContact CB-O 3.48Å; V292-G341 PolarHBondContact N-O 2.7Å; V292-G341 CarbonylContact O-C 3.54Å; V292-G341 WeakPolarHBondContact O-CA 3.38Å; S337-G341 VanDerWaalsContact O-CA 3.3Å; S337-G341 WeakPolarHBondContact O-CA 3.08Å; S337-G341 PolarHBondContact O-N 2.97Å
342H88.9Confident83.7Confident68 Ų6860.2 Ų60.232%0.31533%0.328SS..EExtended strand (participates in β ladder)trans-75.6135.7180-73-103.6000112.2D289 L290 R336 S337 T340D289-H342 WeakPolarHBondContact OD1-CB 3.17Å; D289-H342 IonicContact OD1-CG 2.68Å; D289-H342 IonicContact OD1-ND1 3.95Å; D289-H342 PolarHBondContact OD1-ND1 2.85Å; D289-H342 IonicContact OD2-CE1 2.88Å; D289-H342 IonicContact OD2-ND1 3.7Å; D289-H342 PolarHBondContact OD2-ND1 3.15Å; L290-H342 WeakPolarHBondContact O-CA 3.27Å; R336-H342 WeakPolarHBondContact CA-O 3.42Å; S337-H342 PolarHBondContact N-O 3.48Å; T340-H342 VanDerWaalsContact C-N 3.28Å; T340-H342 PolarHBondContact O-CD2 3.21Å; T340-H342 PolarHBondContact O-N 3.23Å
343L89.6Confident81.5Confident6 Ų668 Ų683%0.03136%0.362CS..EExtended strand (participates in β ladder)trans-105.9111.117017569.9000108L290 V292 V303 V312 R336L290-L343 HydrophobicContact CB-CB 4.26Å; L290-L343 HydrophobicContact CD1-CD2 4.27Å; L290-L343 PolarHBondContact N-O 2.69Å; L290-L343 PolarHBondContact O-N 3.4Å; V292-L343 HydrophobicContact CG2-CB 3.73Å; V292-L343 HydrophobicContact CG2-CD2 4.39Å; V303-L343 HydrophobicContact CG2-CD2 4.03Å; V312-L343 HydrophobicContact CG1-CD2 3.88Å; V312-L343 HydrophobicContact CG2-CD2 4.47Å; R336-L343 HydrophobicContact CB-CD1 4.13Å
344V91.7Very high79.1Confident48 Ų4872.9 Ų72.929%0.29138%0.384SS..EExtended strand (participates in β ladder)trans-103.5121.3179-177.20000108.8V287 D289 R335V287-V344 HydrophobicContact CG1-CG1 3.65Å; D289-V344 HydrophobicContact CB-CG2 4.48Å; R335-V344 PolarHBondContact N-O 3.46Å; R335-V344 PolarHBondContact O-N 3Å
345L90.4Very high76.4Confident3 Ų381.5 Ų81.52%0.01641%0.405CS..EExtended strand (participates in β ladder)trans-109.1115.1177-171.369.2000108.8V287 L288 V303 V305 A310 A334 M347V287-L345 CarbonylContact C-O 3.56Å; V287-L345 WeakPolarHBondContact CA-O 3.19Å; L288-L345 HydrophobicContact CB-CB 4.22Å; L288-L345 HydrophobicContact CD2-CD2 4.28Å; L288-L345 PolarHBondContact N-O 3.08Å; L288-L345 PolarHBondContact O-N 3.01Å; V303-L345 HydrophobicContact CG1-CD1 3.79Å; V303-L345 HydrophobicContact CG1-CD2 4.31Å; V305-L345 HydrophobicContact CG2-CD1 3.98Å; V305-L345 HydrophobicContact CG2-CD2 3.82Å; V305-L345 HydrophobicContact CG2-CG 4.35Å; A310-L345 HydrophobicContact CB-CD2 3.97Å; A334-L345 HydrophobicContact CB-CD1 3.58Å; L345-M347 HydrophobicContact CD2-CE 3.98Å; L345-M347 HydrophobicContact CD2-CG 4.09Å; L345-M347 HydrophobicContact CD2-SD 3.51Å; L345-M347 VanDerWaalsContact CD2-SD 3.51Å; L345-M347 HydrophobicContact CG-CE 4.24Å; L345-M347 HydrophobicContact CG-CG 3.86Å; L345-M347 HydrophobicContact CG-SD 3.95Å
346T90Very high73.7Confident48 Ų4878.4 Ų78.429%0.29441%0.407SS..EExtended strand (participates in β ladder)trans-105.5114.4179.8-53.90000108.8A285 V287 S332 T333A285-T346 HydrophobicContact CB-CG2 4.15Å; V287-T346 HydrophobicContact CG2-CG2 4.29Å; S332-T346 CarbonylContact C-O 3.4Å; S332-T346 WeakPolarHBondContact CA-O 3.42Å; T333-T346 PolarHBondContact N-O 2.85Å; T333-T346 PolarHBondContact O-N 2.85Å
347M91.2Very high71.3Confident0 Ų084.8 Ų84.80%044%0.439CS..EExtended strand (participates in β ladder)trans-121.3104.5-171.8-60.7168-74.400109.9A285 V286 L288 V305 A310 L323 V327 L345A285-M347 CarbonylContact C-O 3.56Å; A285-M347 WeakPolarHBondContact CA-O 3.39Å; V286-M347 HydrophobicContact CB-CE 4.35Å; V286-M347 HydrophobicContact CG1-CE 4.03Å; V286-M347 PolarHBondContact N-O 3.26Å; V286-M347 PolarHBondContact O-N 2.77Å; L288-M347 HydrophobicContact CB-CE 3.86Å; V305-M347 HydrophobicContact CG1-CG 4.06Å; V305-M347 HydrophobicContact CG1-SD 3.85Å; A310-M347 HydrophobicContact CB-SD 4.11Å; L323-M347 HydrophobicContact CD1-SD 3.87Å; L323-M347 HydrophobicContact CD2-CE 3.63Å; L323-M347 HydrophobicContact CD2-SD 3.93Å; V327-M347 HydrophobicContact CB-CB 3.92Å; V327-M347 HydrophobicContact CG1-CB 3.77Å; V327-M347 HydrophobicContact CG2-CB 4.19Å; L345-M347 HydrophobicContact CD2-CE 3.98Å; L345-M347 HydrophobicContact CD2-CG 4.09Å; L345-M347 HydrophobicContact CD2-SD 3.51Å; L345-M347 VanDerWaalsContact CD2-SD 3.51Å; L345-M347 HydrophobicContact CG-CE 4.24Å; L345-M347 HydrophobicContact CG-CG 3.86Å; L345-M347 HydrophobicContact CG-SD 3.95Å
348P88.8Confident68.7Low36 Ų3692 Ų9223%0.23447%0.466CS..EExtended strand (participates in β ladder)trans-64.1140.2177.7-2234.3000111.8V327 K328 S331V327-P348 CarbonylContact C-O 3.58Å; V327-P348 VanDerWaalsContact CA-O 3.26Å; V327-P348 WeakPolarHBondContact CA-O 3.26Å; V327-P348 WeakPolarHBondContact CB-O 3.44Å; K328-P348 PolarHBondContact N-O 3.18Å; S331-P348 WeakPolarHBondContact O-CD 3.33Å
349R85.5Confident66.5Low58 Ų5891 Ų9122%0.21947%0.472CS..BIsolated β-bridgetrans-68.4149.1178-71.6178.6163.6-178.9-5.1111.9E279 D284 V286 A325 E326E279-R349 IonicContact OE1-NH2 2.88Å; E279-R349 PolarHBondContact OE1-NH2 3.34Å; E279-R349 IonicContact OE2-CZ 3.78Å; E279-R349 IonicContact OE2-NH2 2.91Å; E279-R349 PolarHBondContact OE2-NH2 3.08Å; D284-R349 PolarHBondContact O-N 3.04Å; D284-R349 VanDerWaalsContact OD1-CD 3.27Å; D284-R349 WeakPolarHBondContact OD1-CD 3.37Å; V286-R349 HydrophobicContact CG2-CG 4.04Å; A325-R349 HydrophobicContact CB-CG 4.2Å; E326-R349 CarbonylContact O-C 3.54Å; E326-R349 WeakPolarHBondContact O-CA 3.44Å
350A76.5Confident64.7Low35 Ų3592.5 Ų92.529%0.28948%0.481SS..SBendtrans-77-39.4177.900000111.7E326 K328 G352E326-A350 HydrophobicContact CB-CB 3.91Å; E326-A350 WeakPolarHBondContact O-CB 3.36Å; E326-A350 PolarHBondContact O-N 3.19Å; K328-A350 HydrophobicContact CG-CB 4.25Å; A350-G352 PolarHBondContact O-N 2.85Å
351E62Low62.5Low170 Ų17094 Ų9479%0.79449%0.493SS*.  trans-91.479.5179.2-67.2-169.9157.300111.8
352G51.3Low60.2Low39 Ų39105.3 Ų105.340%0.40254%0.535SS..  trans-94122.2161.900000109.6D284 A350 L354D284-G352 WeakPolarHBondContact OD2-CA 3.46Å; A350-G352 PolarHBondContact O-N 2.85Å; G352-L354 PolarHBondContact O-N 3.34Å
353E40.4Very low57.6Low189 Ų189114 Ų11488%0.88357%0.565SS**  trans-47.7126.9160.8-77.3-174.9149.200109.2R355E353-R355 VanDerWaalsContact C-N 3.32Å; E353-R355 PolarHBondContact O-N 3.31Å
354L39.9Very low54.9Low168 Ų168125.2 Ų125.288%0.8861%0.607SS**  trans-61.888.8175.9-74.3162.6000110.5G352 V356G352-L354 PolarHBondContact O-N 3.34Å; L354-V356 VanDerWaalsContact C-N 3.33Å; L354-V356 PolarHBondContact O-N 3.36Å
355R34.7Very low52Low235 Ų235134 Ų13489%0.88764%0.635SS**  trans-70.297.1156.9-86-173.8171.2175.50.6108.2E353 Q357E353-R355 VanDerWaalsContact C-N 3.32Å; E353-R355 PolarHBondContact O-N 3.31Å; R355-Q357 PolarHBondContact O-N 2.86Å
356V33.2Very low49.2Very low124 Ų124141.7 Ų141.775%0.75268%0.676SS**  trans-49.6105171.5178.50000109.5L354 K358L354-V356 VanDerWaalsContact C-N 3.33Å; L354-V356 PolarHBondContact O-N 3.36Å; V356-K358 PolarHBondContact O-N 3.36Å
357Q35.8Very low46.4Very low185 Ų185143.9 Ų143.986%0.86470%0.699SS**  trans-67.4115.2160.5-68.6-173.114.900107.4R355R355-Q357 PolarHBondContact O-N 2.86Å
358K31.4Very low44.1Very low188 Ų188149.7 Ų149.782%0.81774%0.737SS**PPolyproline II helixtrans-57.9131.8172.4-77178.7177.5174.80109.1V356 V360V356-K358 PolarHBondContact O-N 3.36Å; K358-V360 PolarHBondContact O-N 2.78Å
359P34.3Very low41.2Very low125 Ų125153.1 Ų153.181%0.81276%0.762SS**PPolyproline II helixtrans-70.9124.9-178.826.4-31000110.8
360V38.4Very low38.5Very low132 Ų132162.3 Ų162.380%0.880%0.796SS**PPolyproline II helixtrans-70.7131.8167178.30000108.6K358 R362K358-V360 PolarHBondContact O-N 2.78Å; V360-R362 PolarHBondContact O-N 3.34Å
361P37Very low36.2Very low118 Ų118166.4 Ų166.477%0.76682%0.823SS**PPolyproline II helixtrans-74.4127.7-173.427.5-31.6000112.2
362R33.9Very low34.5Very low236 Ų236164 Ų16489%0.89183%0.825SS**PPolyproline II helixtrans-67.6124.9170-75.6178167.3177.6-3.6110.7V360V360-R362 PolarHBondContact O-N 3.34Å
363R34.5Very low33.5Very low250 Ų250166.4 Ų166.494%0.94384%0.841SS**PPolyproline II helixtrans-84.5148160.5-86.2-173.9171.1-170.8-1.7110.8
364R32Very low33Very low242 Ų242166.1 Ų166.191%0.91384%0.839SS**PPolyproline II helixtrans-71.9151-157-66.9176.6171-176.3-4.1114.2
365R31.7Very low32.4Very low233 Ų233165.2 Ų165.288%0.87984%0.836SS**PPolyproline II helixtrans-82.7133.4163.5-88.4179.4-88.4-178.1-6.2109.1
366D30.2Very low32.2Very low165 Ų165165.5 Ų165.588%0.88284%0.837SS**  trans-106134.4151.5-72.4-46.9000108.2
367A32.5Very low32.1Very low93 Ų93166.9 Ų166.977%0.76984%0.84SS**  trans-106.1176.7167.900000107.3
368P42.3Very low31.9Very low122 Ų122169.9 Ų169.979%0.79284%0.843SS**  cis-129.4-165.213.534.6-9.7000110.3
369S27.6Very low32Very low109 Ų109169.7 Ų169.776%0.76284%0.842SS**  cis-170.9155.834.543.90000109.8
370R28.8Very low32Very low251 Ų251172 Ų17295%0.94785%0.848SS**  trans-61136.1174.2-75.9171.2163.7168.9-6.8112.6
371S28.3Very low31.9Very low121 Ų121174.9 Ų174.985%0.84685%0.849SS**  trans-88.4141.516551.80000111.5
372S27.3Very low32Very low119 Ų119176.7 Ų176.783%0.83285%0.851SS**  trans-131.9144.2156.654.80000108.8
373A28.7Very low32.5Very low89 Ų89170.9 Ų170.974%0.73684%0.844SS**  trans109.4113.2165.200000117.4
374E29.9Very low32.6Very low183 Ų183167.4 Ų167.486%0.85584%0.839SS**  trans81.792.7134.3-64178.4174.500120.9
375D27.8Very low32.9Very low150 Ų150166.8 Ų166.880%0.80284%0.836SS**  48.1102.4107.8-146.48.8000118.6
376R31.7Very low33.4Very low241 Ų241164.3 Ų164.391%0.90984%0.84SS**  -178121.9126-96.7165.6-171.1-156.93.7112.5
377N31Very low34Very low153 Ų153164.4 Ų164.482%0.81883%0.834SS**  trans76.194145.2-140.920.9000119.7
378R31.6Very low34.6Very low247 Ų247166.7 Ų166.793%0.93284%0.839SS**  trans-169.8113.8130.2-106.1169.3-177.1175.60.7109.8
379K32.6Very low34.5Very low185 Ų185167.8 Ų167.880%0.80484%0.838SS**  trans-73135.4164.8-77.3173.4173.9171.80108
380D34.1Very low35.7Very low172 Ų172167.7 Ų167.792%0.9284%0.835SS**  -152.2143128.6-101-30.5000112.3
381K36.3Very low36.9Very low193 Ų193160.9 Ų160.984%0.83983%0.826SS**  trans-91.9160.8-166.4-76.5173.4171.7-177.90111.8
382I38.6Very low38Very low157 Ų157164.8 Ų164.881%0.80583%0.827SS**  trans-73.5178.9174.2-29.4176.5000110.6
383P44.6Very low38.8Very low114 Ų114170 Ų17074%0.7483%0.829SS**  -100.4147.6-110.536.2-17.6000114
384E36.5Very low39.5Very low177 Ų177175.6 Ų175.683%0.82784%0.836SS**  trans-119.8114.8173.1-77.3174.9164.300109
385R38.9Very low40.2Very low229 Ų229172.1 Ų172.186%0.86483%0.833SS**  49106.487.1-78.5-173.1151.2174.7-5.7111.9E387R385-E387 PolarHBondContact O-N 3.24Å
386L42.9Very low41.2Very low181 Ų181171.2 Ų171.295%0.94883%0.832SS**  trans-72.794.1176.9-157.580.5000108.9
387E41.4Very low41.7Very low166 Ų166165.5 Ų165.578%0.77682%0.82SS**  trans-77.1136.4168.6-64.5-169.1160.900109.9R385R385-E387 PolarHBondContact O-N 3.24Å
388V46.3Very low42.4Very low141 Ų141164.5 Ų164.586%0.85581%0.813SS**  trans-91.4110.7178.7-140.30000107.2P390V388-P390 WeakPolarHBondContact O-CD 3.26Å
389D38.9Very low43.3Very low146 Ų146157.5 Ų157.578%0.78180%0.798SS**  trans-59.1123.9176.9-92.1-50.5000111.6S391D389-S391 PolarHBondContact O-N 2.96Å
390P53.3Low44Very low106 Ų106155.8 Ų155.869%0.68880%0.797SS**THydrogen-bonded Turntrans-79.79.2-177.729.5-32000114.9V388V388-P390 WeakPolarHBondContact O-CD 3.26Å
391S55.1Low44.7Very low109 Ų109154.1 Ų154.176%0.76279%0.787SS**THydrogen-bonded Turntrans-105.317.2-173.2-61.80000115.8D389D389-S391 PolarHBondContact O-N 2.96Å
392K50.3Low44.9Very low202 Ų202150.4 Ų150.488%0.87878%0.78SS**  trans-130.777.1165.8-78.9-177.5-179.5173.60110.9
393R44Very low44.7Very low229 Ų229147.8 Ų147.886%0.86478%0.776SS**  trans-107.2108.1159.9-67.5-175.8-179.1-158.20.1108
394K43.7Very low44.3Very low206 Ų206151.1 Ų151.190%0.89678%0.782SS**  trans-103.4106.5151-81.5-172.4176.5-175.50105.8V396K394-V396 PolarHBondContact O-N 3.32Å
395S43.8Very low44.1Very low111 Ų111154.5 Ų154.578%0.77679%0.787SS**PPolyproline II helixtrans-53.7130.2165.143.20000108.9D397S395-D397 PolarHBondContact O-N 3.16Å
396V49.3Very low43.7Very low131 Ų131148.8 Ų148.879%0.79478%0.782SS**PPolyproline II helixtrans-71116.9167.3177.40000106.6K394K394-V396 PolarHBondContact O-N 3.32Å
397D41.9Very low43.2Very low121 Ų121146 Ų14665%0.64778%0.778SS**PPolyproline II helixtrans-80.6118.7178.4-160.5-15.8000108.8S395 T399S395-D397 PolarHBondContact O-N 3.16Å; D397-T399 VanDerWaalsContact C-N 3.3Å; D397-T399 VanDerWaalsContact CG-OG1 3.32Å; D397-T399 WeakPolarHBondContact OD1-CG2 3.42Å; D397-T399 PolarHBondContact OD1-OG1 3.33Å
398I47.2Very low42.7Very low131 Ų131141.4 Ų141.467%0.67278%0.775SS**  trans-96.619-170.9-32.2173.8000110.8I401I398-I401 HydrophobicContact CG2-CD1 3.9Å
399T49Very low42Very low100 Ų100143.5 Ų143.561%0.61378%0.776SS**THydrogen-bonded Turntrans-95.38.6-171.552.80000115.4D397D397-T399 VanDerWaalsContact C-N 3.3Å; D397-T399 VanDerWaalsContact CG-OG1 3.32Å; D397-T399 WeakPolarHBondContact OD1-CG2 3.42Å; D397-T399 PolarHBondContact OD1-OG1 3.33Å
400N46.8Very low41.6Very low150 Ų150142.6 Ų142.680%0.80277%0.771SS**THydrogen-bonded Turntrans-100.719.7174.2-88.7-5.4000114.7
401I48.8Very low40.5Very low136 Ų136144.2 Ų144.270%0.69777%0.773SS**SBendtrans-87.1-14.5-179.3-67.8178.6000113I398I398-I401 HydrophobicContact CG2-CD1 3.9Å
402V40.6Very low39.3Very low116 Ų116147 Ų14770%0.70377%0.773SS**  trans-148.7125.7169.2-167.70000110.2
403S34.8Very low38.4Very low101 Ų101145.2 Ų145.271%0.70677%0.769SS**  trans-138.5100.3160.5-69.40000108.3
404E36.1Very low37.9Very low185 Ų185143.1 Ų143.186%0.86477%0.766SS**  trans-51.5137.1160.8-65.7175.4149.800109.7
405R33.3Very low37.2Very low247 Ų247142.3 Ų142.393%0.93277%0.765SS**  trans-135110.8160.9-88.4-171.3176.1-178.5-1.1109.8
406S29.8Very low36.6Very low110 Ų110143.7 Ų143.777%0.76976%0.764SS**  trans-87.3147.3160.646.20000111
407S32.3Very low35.8Very low122 Ų122146 Ų14685%0.85377%0.771SS**  trans73.7112.4157.961.20000120.8
408G30.9Very low35.4Very low70 Ų70146.3 Ų146.372%0.72278%0.777SS**  120.898111.400000118
409E32.3Very low35.1Very low185 Ų185144.8 Ų144.886%0.86478%0.784SS**  trans53.1138136.9-61.6176166.800119
410D31.2Very low34.8Very low127 Ų127149.3 Ų149.368%0.67980%0.798SS**  cis-170.4156.513.2-128.7-18.5000111.4
411L29.4Very low34.9Very low139 Ų139149.6 Ų149.673%0.72880%0.799SS**  trans66.8112.1150.7-60.2163.5000121.6
412Q30.4Very low34.9Very low167 Ų167148.2 Ų148.278%0.7880%0.798SS**  167.1129.782.7-119.8169-9.500114.3
413E31Very low35.3Very low166 Ų166152.4 Ų152.478%0.77681%0.81SS**  trans49.8109149.3-72.1-176.713900125.4
414K32.9Very low36Very low185 Ų185151.3 Ų151.380%0.80482%0.816SS**  48.6124.9126.7-74.5-176.2173.9179.10121.8
415Q30.3Very low36.5Very low189 Ų189150.1 Ų150.188%0.88381%0.808SS**  -170.3148.1104-100.7173.4600113.3
416D30.9Very low37.9Very low139 Ų139146.9 Ų146.974%0.74381%0.805SS**  trans-65.5152.9-163.7-56.4-67000117.3
417L32.3Very low39.2Very low180 Ų180148.1 Ų148.194%0.94280%0.803SS**  trans-148.4108.1140.3-92.5170.5000109.6
418T33.8Very low41Very low128 Ų128147.6 Ų147.679%0.78579%0.791SS**PPolyproline II helixtrans-70.2132.217841.80000112.5
419A40.4Very low42.7Very low98 Ų98150.3 Ų150.381%0.8180%0.796SS**PPolyproline II helixtrans-103.2124.2162.500000108.8
420E42Very low43.9Very low196 Ų196149.9 Ų149.992%0.91679%0.794SS**PPolyproline II helixtrans-70.7130.8-177.5-64.4-178.4157.800111.6
421L50.3Low45.5Very low155 Ų155149.2 Ų149.281%0.81279%0.794SS**PPolyproline II helixtrans-96.3147.1167.5-77.5163.5000109.5
422P48.7Very low47.1Very low107 Ų107147.5 Ų147.570%0.69579%0.792SS**PPolyproline II helixtrans-67.1140.2-17725.9-32000112.7G424P422-G424 PolarHBondContact O-N 3.45Å
423E47.5Very low48.9Very low204 Ų204145.3 Ų145.395%0.95379%0.791SS**THydrogen-bonded Turntrans-59.6120.8-177.5-69.1-177.8154.900112.3
424G51.3Low50Low79 Ų79145.9 Ų145.981%0.81480%0.799SS**THydrogen-bonded Turntrans128.2-3.6170.600000116.3P422 M426P422-G424 PolarHBondContact O-N 3.45Å; G424-M426 PolarHBondContact O-N 2.89Å
425F46.6Very low50.6Low160 Ų160148.5 Ų148.570%0.70282%0.819SS**  trans-84.7111.4176.3-159.5-100.4000110.5D427F425-D427 WeakPolarHBondContact CE1-OD1 3.42Å
426M62Low51.7Low179 Ų179146.5 Ų146.588%0.88282%0.816SS**  trans-106.1114.2166.9-74.8-174.861.400108.1G424G424-M426 PolarHBondContact O-N 2.89Å
427D58Low52.8Low135 Ų135146.9 Ų146.972%0.72282%0.82SS**  trans-70.1135172.7-105.9-30.7000110.5F425F425-D427 WeakPolarHBondContact CE1-OD1 3.42Å
428D68.4Low53.9Low111 Ų111145.1 Ų145.159%0.59481%0.813SS**  trans-73.8123.3-177.6-159.4-23000110.4E430 V431D428-E430 PolarHBondContact O-N 3Å; D428-V431 PolarHBondContact O-N 3.23Å
429P66.8Low55.1Low128 Ų128146.1 Ų146.183%0.83182%0.815SS**THydrogen-bonded Turntrans-68.3-1.9-172.126.3-36.7000115.8
430E57.8Low56Low175 Ų175149.1 Ų149.182%0.81882%0.815SS**THydrogen-bonded Turntrans-95.4-3.4-179.3-72.5-161.7151.800115.2D428 P432D428-E430 PolarHBondContact O-N 3Å; E430-P432 WeakPolarHBondContact O-CD 3.42Å
431V65Low56.9Low113 Ų113145.9 Ų145.969%0.68581%0.809SS**  trans-94.4115.9-179.2-171.80000110.7D428D428-V431 PolarHBondContact O-N 3.23Å
432P62.6Low57.4Low104 Ų104145.3 Ų145.368%0.67581%0.808SS**PPolyproline II helixtrans-68.9141.2173.6-12.727.8000110.4E430E430-P432 WeakPolarHBondContact O-CD 3.42Å
433P67.8Low58.1Low120 Ų120148.2 Ų148.278%0.77982%0.817SS**PPolyproline II helixtrans-64.7140.1176.625.9-32.3000111I435P433-I435 PolarHBondContact O-N 2.96Å
434L55Low59Low178 Ų178143.6 Ų143.693%0.93281%0.806SS**PPolyproline II helixtrans-61.9128.8176.5-68.3165000109.9
435I46.3Very low59.7Low241 Ų241149.5 Ų149.5100%1.23681%0.805SS**  trans-72.30177-55.2172.4000110.4P433P433-I435 PolarHBondContact O-N 2.96Å

Retrieved 435 of 435 residues in 671.4 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).