A0A096MVL7_PAPAN Loading...

N-acetylaspartylglutamate synthase

AlphaFold DB (A0A2J8TC54), UniProt , Accession A0A096MVL7, Species PAPAN (Papio anubis, Olive baboon), Gene RIMKLB, Length 307 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M36.3Very low72Confident242 Ų24279.5 Ų79.5100%1.19249%0.492SS*.  01030-65.2176.3-145.900106.9S3M1-S3 PolarHBondContact O-N 3.15Å; M1-S3 VanDerWaalsContact O-N 3.15Å
2C40.6Very low74Confident135 Ų13572.8 Ų72.891%0.91245%0.451SS*.  trans-74.7103.6174.1-145.40000105.8S4C2-S4 PolarHBondContact O-N 2.98Å
3S44.8Very low75.5Confident99 Ų9967.5 Ų67.569%0.69242%0.418SS*.  trans-57.9107.5166.3168.20000106M1 V5M1-S3 PolarHBondContact O-N 3.15Å; M1-S3 VanDerWaalsContact O-N 3.15Å; S3-V5 VanDerWaalsContact C-N 3.31Å; S3-V5 PolarHBondContact O-N 2.95Å
4S57.3Low76.5Confident111 Ų11163 Ų6378%0.77639%0.39SS*.  trans-70.297.2172.759.40000106.4C2 A6C2-S4 PolarHBondContact O-N 2.98Å; S4-A6 PolarHBondContact O-N 3.28Å; S4-A6 VanDerWaalsContact O-N 3.09Å
5V67.4Low77.4Confident110 Ų11069.7 Ų69.767%0.66741%0.405SS*.PPolyproline II helixtrans-59.1116.5169.7-1800000106.1S3 A7S3-V5 VanDerWaalsContact C-N 3.31Å; S3-V5 PolarHBondContact O-N 2.95Å; V5-A7 PolarHBondContact O-N 3.48Å
6A77.3Confident77.9Confident47 Ų4771.7 Ų71.739%0.38840%0.403SS..PPolyproline II helixtrans-53.5134.2177.900000109.3S4 K8S4-A6 PolarHBondContact O-N 3.28Å; S4-A6 VanDerWaalsContact O-N 3.09Å; A6-K8 PolarHBondContact O-N 3.09Å
7A86Confident78.4Confident51 Ų5168.5 Ų68.542%0.42139%0.385SS..PPolyproline II helixtrans-62.4136.2177.800000109.6V5 L39 D40V5-A7 PolarHBondContact O-N 3.48Å; A7-L39 HydrophobicContact CB-CD2 3.89Å; A7-D40 PolarHBondContact O-N 3.36Å
8K93.3Very high78.7Confident43 Ų4370.7 Ų70.719%0.18739%0.386CS..EExtended strand (participates in β ladder)trans-103.1121.7-172.4-60.5-163.6176.9-153.50110.6A6 D40 P71 Q72 V73A6-K8 PolarHBondContact O-N 3.09Å; K8-D40 CarbonylContact C-O 3.27Å; K8-D40 VanDerWaalsContact CA-O 3.3Å; K8-D40 WeakPolarHBondContact CA-O 3.25Å; K8-D40 WeakPolarHBondContact CD-OD2 3.38Å; K8-D40 WeakPolarHBondContact CE-OD2 3.46Å; K8-D40 HydrophobicContact CG-CB 3.97Å; K8-D40 WeakPolarHBondContact CG-OD2 3.26Å; K8-D40 IonicContact NZ-OD2 3.35Å; K8-D40 PolarHBondContact NZ-OD2 2.92Å; K8-P71 HydrophobicContact CB-CB 4.44Å; K8-Q72 PolarHBondContact O-N 3.09Å; K8-V73 PolarHBondContact O-N 2.93Å
9L96.1Very high79.2Confident24 Ų2472.1 Ų72.113%0.12639%0.39CS..EExtended strand (participates in β ladder)trans-118.2128.4176.2-173.2148.6000110.3D40 F41 R42 V73 V75L9-D40 PolarHBondContact N-O 3.34Å; L9-F41 HydrophobicContact CD2-CD2 3.58Å; L9-F41 HydrophobicContact CD2-CE2 3.6Å; L9-F41 WeakPolarHBondContact O-CA 3.4Å; L9-R42 PolarHBondContact O-N 3.11Å; L9-R42 VanDerWaalsContact O-N 3.09Å; L9-V73 WeakPolarHBondContact CA-O 3.29Å; L9-V73 HydrophobicContact CD1-CG1 4.49Å; L9-V75 HydrophobicContact CD1-CG2 4.45Å; L9-V75 HydrophobicContact CD2-CG2 4.25Å
10W96.9Very high79.4Confident9 Ų972 Ų723%0.03439%0.389CS..EExtended strand (participates in β ladder)trans-106.1141.3171.7-72.610.9000111.8R42 V44 L60 I62 I67 P71 V73 V74 V75 L95W10-R42 CarbonylContact C-O 3.5Å; W10-R42 VanDerWaalsContact CA-O 3.24Å; W10-R42 WeakPolarHBondContact CA-O 3.1Å; W10-R42 HydrophobicContact CG-CB 4.27Å; W10-V44 HydrophobicContact CD2-CG2 4.1Å; W10-V44 HydrophobicContact CE3-CG2 3.98Å; W10-V44 HydrophobicContact CZ3-CG2 4.4Å; W10-L60 HydrophobicContact CH2-CD2 3.55Å; W10-L60 HydrophobicContact CZ3-CD2 3.75Å; W10-I62 HydrophobicContact CH2-CD1 3.34Å; W10-I62 HydrophobicContact CZ2-CD1 4Å; W10-I62 HydrophobicContact CZ3-CD1 3.67Å; W10-I67 HydrophobicContact CH2-CG1 4.44Å; W10-I67 HydrophobicContact CH2-CG2 4.17Å; W10-I67 HydrophobicContact CZ2-CG2 4.2Å; W10-P71 HydrophobicContact CB-CB 4.13Å; W10-P71 HydrophobicContact CB-CG 4.26Å; W10-P71 HydrophobicContact CD2-CB 3.94Å; W10-P71 HydrophobicContact CD2-CG 3.51Å; W10-P71 HydrophobicContact CE3-CG 3.79Å; W10-P71 HydrophobicContact CG-CB 3.64Å; W10-P71 HydrophobicContact CG-CG 3.73Å; W10-P71 HydrophobicContact CZ2-CG 4.35Å; W10-P71 HydrophobicContact CZ3-CG 4.31Å; W10-V73 PolarHBondContact N-O 3.08Å; W10-V74 HydrophobicContact CB-CG1 4.21Å; W10-V74 HydrophobicContact CB-CG2 4.3Å; W10-V74 CarbonylContact O-C 3.55Å; W10-V74 WeakPolarHBondContact O-CA 3.46Å; W10-V75 PolarHBondContact O-N 3.28Å; W10-L95 HydrophobicContact CZ3-CD2 4.37Å
11F96.5Very high79.4Confident3 Ų372.9 Ų72.91%0.01339%0.388CS..EExtended strand (participates in β ladder)trans-102.8105162.4179.7-97.5000108.1T13 I26 L27 L30 F41 R42 A43 V44 V75 R77F11-T13 HydrophobicContact CD1-CG2 4.37Å; F11-T13 HydrophobicContact CE1-CG2 3.85Å; F11-I26 HydrophobicContact CD2-CG2 4.37Å; F11-I26 HydrophobicContact CE2-CB 4.49Å; F11-I26 HydrophobicContact CE2-CG2 3.62Å; F11-I26 HydrophobicContact CZ-CG2 4.39Å; F11-L27 HydrophobicContact CB-CD1 4.36Å; F11-L27 HydrophobicContact CD1-CB 4.38Å; F11-L27 HydrophobicContact CD1-CD1 3.85Å; F11-L27 HydrophobicContact CE1-CB 4.09Å; F11-L27 HydrophobicContact CE1-CD1 4.38Å; F11-L27 HydrophobicContact CG-CD1 4.17Å; F11-L27 HydrophobicContact CZ-CB 4.31Å; F11-L30 HydrophobicContact CD2-CD1 3.58Å; F11-L30 HydrophobicContact CE2-CD1 4.17Å; F11-L30 HydrophobicContact CG-CD1 4.46Å; F11-F41 HydrophobicContact CB-CE2 3.85Å; F11-F41 HydrophobicContact CB-CZ 3.72Å; F11-R42 PolarHBondContact N-O 3.47Å; F11-A43 WeakPolarHBondContact O-CA 3.2Å; F11-V44 PolarHBondContact O-N 2.97Å; F11-V75 HydrophobicContact CD2-CB 4.26Å; F11-V75 HydrophobicContact CD2-CG1 4.1Å; F11-V75 HydrophobicContact CE2-CG1 4.41Å; F11-R77 HydrophobicContact CD2-CG 4.43Å; F11-R77 HydrophobicContact CE2-CB 4.43Å; F11-R77 HydrophobicContact CE2-CG 3.48Å; F11-R77 VanDerWaalsContact CE2-CG 3.48Å; F11-R77 HydrophobicContact CZ-CB 4.24Å; F11-R77 HydrophobicContact CZ-CG 3.72Å
12L95.6Very high81.5Confident0 Ų061.7 Ų61.70%033%0.333CS..EExtended strand (participates in β ladder)trans-101.6121-179.1-178.665.7000109.7V44 M46 V49 V74 V75 R77 V91 L92 L95L12-V44 WeakPolarHBondContact CA-O 3.35Å; L12-V44 HydrophobicContact CD1-CB 4.05Å; L12-V44 HydrophobicContact CD1-CG1 3.95Å; L12-M46 HydrophobicContact CD1-CG 3.87Å; L12-M46 HydrophobicContact CD2-CE 3.91Å; L12-M46 HydrophobicContact CD2-CG 4.45Å; L12-M46 HydrophobicContact CG-CE 4.08Å; L12-M46 HydrophobicContact CG-CG 4.05Å; L12-V49 HydrophobicContact CD1-CG2 4.31Å; L12-V74 HydrophobicContact CB-CG1 3.6Å; L12-V74 HydrophobicContact CD2-CG1 4.22Å; L12-V75 PolarHBondContact N-O 3.25Å; L12-R77 PolarHBondContact O-N 3.1Å; L12-V91 HydrophobicContact CD2-CG1 4.12Å; L12-L92 HydrophobicContact CD2-CD2 3.6Å; L12-L95 HydrophobicContact CD2-CD1 3.62Å
13T93.4Very high83.8Confident4 Ų455.7 Ų55.73%0.02529%0.292CS..EExtended strand (participates in β ladder)trans-135.9162.8-178.8-164.60000112.9F11 R18 V44 V45 M46 R77F11-T13 HydrophobicContact CD1-CG2 4.37Å; F11-T13 HydrophobicContact CE1-CG2 3.85Å; T13-R18 HydrophobicContact CG2-CB 4.08Å; T13-R18 HydrophobicContact CG2-CG 3.93Å; T13-V44 PolarHBondContact N-O 3.49Å; T13-V45 WeakPolarHBondContact O-CA 3.17Å; T13-M46 PolarHBondContact O-N 2.86Å; T13-R77 VanDerWaalsContact CA-O 3.28Å; T13-R77 WeakPolarHBondContact CA-O 3.16Å; T13-R77 PolarHBondContact OG1-O 2.88Å
14D89.9Confident85.9Confident4 Ų454.3 Ų54.32%0.02127%0.273CS..  trans-89.9139.7173.4-172-69.1000111.2R16 I17 R18 R77 P79D14-R16 PolarHBondContact O-N 2.95Å; D14-R16 VanDerWaalsContact O-N 3.14Å; D14-R16 WeakPolarHBondContact OD1-CA 3.35Å; D14-R16 WeakPolarHBondContact OD1-CB 3.44Å; D14-R16 WeakPolarHBondContact OD1-CG 3.3Å; D14-R16 IonicContact OD1-CZ 2.88Å; D14-R16 PolarHBondContact OD1-N 3.16Å; D14-R16 IonicContact OD1-NE 3.83Å; D14-R16 PolarHBondContact OD1-NE 2.99Å; D14-R16 IonicContact OD1-NH2 3.61Å; D14-R16 IonicContact OD2-CZ 3.65Å; D14-R16 VanDerWaalsContact OD2-CZ 3.23Å; D14-R16 IonicContact OD2-NE 3.23Å; D14-R16 PolarHBondContact OD2-NE 3.4Å; D14-R16 IonicContact OD2-NH2 2.69Å; D14-R16 PolarHBondContact OD2-NH2 3.25Å; D14-I17 HydrophobicContact CB-CG1 4.25Å; D14-I17 PolarHBondContact O-N 2.9Å; D14-I17 VanDerWaalsContact O-N 3.15Å; D14-R18 PolarHBondContact O-N 3.3Å; D14-R77 PolarHBondContact N-O 2.6Å; D14-P79 HydrophobicContact CB-CG 4.4Å
15R89Confident87.4Confident163 Ų16352.5 Ų52.562%0.61525%0.252SS*.THydrogen-bonded Turntrans-56-32.1179.573-173.9-761710.3113.5I17 V45 D47R15-I17 PolarHBondContact O-N 3.37Å; R15-V45 HydrophobicContact CB-CG1 3.87Å; R15-D47 WeakPolarHBondContact CD-OD2 3.4Å; R15-D47 IonicContact CZ-OD2 2.94Å; R15-D47 IonicContact NE-OD2 3.83Å; R15-D47 IonicContact NH1-OD2 2.83Å; R15-D47 PolarHBondContact NH1-OD2 2.96Å
16R86.3Confident88.5Confident102 Ų10247.6 Ų47.639%0.38522%0.222SC..THydrogen-bonded Turntrans-64-27.9-176.6-63.7171.5-74.8173.5-2.9111.9D14 W82 D88D14-R16 PolarHBondContact O-N 2.95Å; D14-R16 VanDerWaalsContact O-N 3.14Å; D14-R16 WeakPolarHBondContact OD1-CA 3.35Å; D14-R16 WeakPolarHBondContact OD1-CB 3.44Å; D14-R16 WeakPolarHBondContact OD1-CG 3.3Å; D14-R16 IonicContact OD1-CZ 2.88Å; D14-R16 PolarHBondContact OD1-N 3.16Å; D14-R16 IonicContact OD1-NE 3.83Å; D14-R16 PolarHBondContact OD1-NE 2.99Å; D14-R16 IonicContact OD1-NH2 3.61Å; D14-R16 IonicContact OD2-CZ 3.65Å; D14-R16 VanDerWaalsContact OD2-CZ 3.23Å; D14-R16 IonicContact OD2-NE 3.23Å; D14-R16 PolarHBondContact OD2-NE 3.4Å; D14-R16 IonicContact OD2-NH2 2.69Å; D14-R16 PolarHBondContact OD2-NH2 3.25Å; R16-W82 PolarHBondContact NH1-O 3.09Å; R16-D88 IonicContact NH2-OD1 2.73Å; R16-D88 IonicContact NH2-OD2 3.22Å; R16-D88 PolarHBondContact NH2-OD2 3.09Å
17I85.4Confident89.3Confident18 Ų1847.6 Ų47.69%0.09222%0.216CC..THydrogen-bonded Turntrans-121.2-2.4-17764.8167.7000113.6D14 R15 E19 D20 Q23 P79D14-I17 HydrophobicContact CB-CG1 4.25Å; D14-I17 PolarHBondContact O-N 2.9Å; D14-I17 VanDerWaalsContact O-N 3.15Å; R15-I17 PolarHBondContact O-N 3.37Å; I17-E19 PolarHBondContact O-N 3.22Å; I17-E19 VanDerWaalsContact O-N 3.09Å; I17-D20 HydrophobicContact CB-CB 4.45Å; I17-D20 WeakPolarHBondContact O-CB 3.33Å; I17-D20 PolarHBondContact O-N 3.5Å; I17-Q23 HydrophobicContact CB-CG 4.46Å; I17-Q23 HydrophobicContact CD1-CG 4.29Å; I17-Q23 HydrophobicContact CG1-CG 4.38Å; I17-Q23 VanDerWaalsContact O-CG 3.22Å; I17-Q23 WeakPolarHBondContact O-CG 3.32Å; I17-P79 HydrophobicContact CD1-CB 4.5Å; I17-P79 HydrophobicContact CG2-CB 3.84Å; I17-P79 HydrophobicContact CG2-CG 4.47Å
18R85.3Confident89.6Confident107 Ų10753.3 Ų53.340%0.40423%0.226SC..THydrogen-bonded Turntrans-53.1-36.4-177.2-174.2-176.577.4-172.10.4112.4T13 D14T13-R18 HydrophobicContact CG2-CB 4.08Å; T13-R18 HydrophobicContact CG2-CG 3.93Å; D14-R18 PolarHBondContact O-N 3.3Å
19E86.9Confident89.5Confident98 Ų9852.1 Ų52.146%0.45822%0.224SC..THydrogen-bonded Turntrans-90-6.8-177.4-56.9-59.1142.200114I17 K24I17-E19 PolarHBondContact O-N 3.22Å; I17-E19 VanDerWaalsContact O-N 3.09Å; E19-K24 VanDerWaalsContact CA-CE 3.43Å; E19-K24 WeakPolarHBondContact O-CE 3.25Å; E19-K24 PolarHBondContact O-NZ 3.34Å; E19-K24 WeakPolarHBondContact OE2-CE 3.08Å; E19-K24 IonicContact OE2-NZ 3.94Å; E19-K24 PolarHBondContact OE2-NZ 3.38Å
20D84.3Confident89.4Confident70 Ų7051.3 Ų51.337%0.37422%0.22SC..SBendtrans-80.6153.1-175.3-70.7-8.2000111.8I17 Q23I17-D20 HydrophobicContact CB-CB 4.45Å; I17-D20 WeakPolarHBondContact O-CB 3.33Å; I17-D20 PolarHBondContact O-N 3.5Å; D20-Q23 WeakPolarHBondContact O-CA 3.21Å; D20-Q23 WeakPolarHBondContact O-CB 3.34Å; D20-Q23 PolarHBondContact O-N 3.08Å
21Y78.1Confident89.3Confident91 Ų9157.4 Ų57.436%0.35725%0.247SC..THydrogen-bonded Turntrans-68.4138.4163.6178.6-85.3000110.7E25 E285Y21-E25 HydrophobicContact CD2-CG 4.24Å; Y21-E25 WeakPolarHBondContact CD2-OE2 3.24Å; Y21-E25 HydrophobicContact CE2-CG 4.1Å; Y21-E285 HydrophobicContact CD1-CB 4.45Å; Y21-E285 HydrophobicContact CD1-CG 3.45Å; Y21-E285 VanDerWaalsContact CD1-CG 3.45Å; Y21-E285 HydrophobicContact CD2-CG 3.67Å; Y21-E285 WeakPolarHBondContact CD2-OE1 3.44Å; Y21-E285 HydrophobicContact CE1-CB 4.11Å; Y21-E285 HydrophobicContact CE1-CG 3.29Å; Y21-E285 VanDerWaalsContact CE1-N 3.32Å; Y21-E285 HydrophobicContact CE2-CG 3.53Å; Y21-E285 HydrophobicContact CG-CG 3.63Å
22P82.2Confident89.2Confident7 Ų759.6 Ų59.65%0.04527%0.266CS..THydrogen-bonded Turncis-95.917.3-0.343.9-47.1000113.6K24 E25 I26 F283P22-K24 PolarHBondContact O-N 2.9Å; P22-E25 VanDerWaalsContact CA-OE2 3.24Å; P22-E25 WeakPolarHBondContact CA-OE2 3.34Å; P22-E25 PolarHBondContact O-N 2.95Å; P22-E25 VanDerWaalsContact O-N 3.12Å; P22-I26 HydrophobicContact CB-CD1 4.23Å; P22-I26 HydrophobicContact CB-CG1 4.33Å; P22-I26 HydrophobicContact CG-CD1 3.63Å; P22-I26 HydrophobicContact CG-CG1 4.26Å; P22-I26 WeakPolarHBondContact O-CG1 3.32Å; P22-I26 PolarHBondContact O-N 2.97Å; P22-F283 HydrophobicContact CB-CB 4.09Å; P22-F283 HydrophobicContact CB-CG 4.36Å; P22-F283 HydrophobicContact CG-CB 3.36Å; P22-F283 HydrophobicContact CG-CD2 3.67Å; P22-F283 HydrophobicContact CG-CG 3.73Å
23Q87.7Confident89.1Confident9 Ų962.7 Ų62.74%0.04228%0.279CS..Hα-helixtrans-61.4-35.4-166.4-53-56.2-21.900111.4I17 D20 L27 R77 N281I17-Q23 HydrophobicContact CB-CG 4.46Å; I17-Q23 HydrophobicContact CD1-CG 4.29Å; I17-Q23 HydrophobicContact CG1-CG 4.38Å; I17-Q23 VanDerWaalsContact O-CG 3.22Å; I17-Q23 WeakPolarHBondContact O-CG 3.32Å; D20-Q23 WeakPolarHBondContact O-CA 3.21Å; D20-Q23 WeakPolarHBondContact O-CB 3.34Å; D20-Q23 PolarHBondContact O-N 3.08Å; Q23-L27 VanDerWaalsContact O-CB 3.28Å; Q23-L27 WeakPolarHBondContact O-CB 3.44Å; Q23-L27 PolarHBondContact O-N 3.45Å; Q23-R77 VanDerWaalsContact OE1-CB 3.24Å; Q23-R77 VanDerWaalsContact OE1-CG 3.23Å; Q23-N281 PolarHBondContact NE2-ND2 3.18Å; Q23-N281 PolarHBondContact NE2-OD1 2.99Å; Q23-N281 VanDerWaalsContact NE2-OD1 3.11Å
24K89.8Confident89.2Confident70 Ų7062.7 Ų62.730%0.30428%0.28SS..Hα-helixtrans-64.5-45.8173.9-70.9-174.4175.8174.10112.9E19 P22 I26 L27 R28E19-K24 VanDerWaalsContact CA-CE 3.43Å; E19-K24 WeakPolarHBondContact O-CE 3.25Å; E19-K24 PolarHBondContact O-NZ 3.34Å; E19-K24 WeakPolarHBondContact OE2-CE 3.08Å; E19-K24 IonicContact OE2-NZ 3.94Å; E19-K24 PolarHBondContact OE2-NZ 3.38Å; P22-K24 PolarHBondContact O-N 2.9Å; K24-I26 VanDerWaalsContact C-N 3.29Å; K24-L27 PolarHBondContact O-N 2.69Å; K24-R28 WeakPolarHBondContact O-CB 3.48Å; K24-R28 VanDerWaalsContact O-CG 3.24Å; K24-R28 WeakPolarHBondContact O-CG 3.35Å; K24-R28 PolarHBondContact O-N 2.8Å
25E88.6Confident89.4Confident72 Ų7267.4 Ų67.434%0.33631%0.312SS..Hα-helixtrans-64.3-41.7-179.6-68.368.3-157.100109.8Y21 P22 R28 A29Y21-E25 HydrophobicContact CD2-CG 4.24Å; Y21-E25 WeakPolarHBondContact CD2-OE2 3.24Å; Y21-E25 HydrophobicContact CE2-CG 4.1Å; P22-E25 VanDerWaalsContact CA-OE2 3.24Å; P22-E25 WeakPolarHBondContact CA-OE2 3.34Å; P22-E25 PolarHBondContact O-N 2.95Å; P22-E25 VanDerWaalsContact O-N 3.12Å; E25-R28 PolarHBondContact O-N 3.35Å; E25-A29 VanDerWaalsContact O-CB 3.29Å; E25-A29 WeakPolarHBondContact O-CB 3.47Å; E25-A29 PolarHBondContact O-N 3.43Å
26I89.9Confident89.6Confident7 Ų765.9 Ų65.94%0.03631%0.311CS..Hα-helixtrans-64.3-49.7177.1-67.8173.4000110.9F11 P22 K24 R28 A29 L30 F283 L303F11-I26 HydrophobicContact CD2-CG2 4.37Å; F11-I26 HydrophobicContact CE2-CB 4.49Å; F11-I26 HydrophobicContact CE2-CG2 3.62Å; F11-I26 HydrophobicContact CZ-CG2 4.39Å; P22-I26 HydrophobicContact CB-CD1 4.23Å; P22-I26 HydrophobicContact CB-CG1 4.33Å; P22-I26 HydrophobicContact CG-CD1 3.63Å; P22-I26 HydrophobicContact CG-CG1 4.26Å; P22-I26 WeakPolarHBondContact O-CG1 3.32Å; P22-I26 PolarHBondContact O-N 2.97Å; K24-I26 VanDerWaalsContact C-N 3.29Å; I26-R28 VanDerWaalsContact C-N 3.34Å; I26-R28 PolarHBondContact O-N 2.85Å; I26-A29 PolarHBondContact O-N 3.25Å; I26-L30 HydrophobicContact CG2-CD1 3.77Å; I26-L30 HydrophobicContact CG2-CG 4.32Å; I26-L30 WeakPolarHBondContact O-CB 3.32Å; I26-L30 WeakPolarHBondContact O-CG 3.39Å; I26-L30 PolarHBondContact O-N 3.04Å; I26-F283 HydrophobicContact CD1-CD2 3.86Å; I26-F283 HydrophobicContact CD1-CE2 3.92Å; I26-L303 VanDerWaalsContact CA-CD1 3.47Å; I26-L303 HydrophobicContact CB-CD1 3.97Å; I26-L303 HydrophobicContact CG1-CD1 3.97Å; I26-L303 HydrophobicContact CG1-CD2 4.33Å; I26-L303 HydrophobicContact CG2-CD1 3.96Å; I26-L303 HydrophobicContact CG2-CD2 4.37Å
27L93.4Very high90Very high48 Ų4866.2 Ų66.225%0.25132%0.317SS..Hα-helixtrans-57.9-45.8177.5173.457.2000111.8F11 Q23 K24 K31 F41 A43F11-L27 HydrophobicContact CB-CD1 4.36Å; F11-L27 HydrophobicContact CD1-CB 4.38Å; F11-L27 HydrophobicContact CD1-CD1 3.85Å; F11-L27 HydrophobicContact CE1-CB 4.09Å; F11-L27 HydrophobicContact CE1-CD1 4.38Å; F11-L27 HydrophobicContact CG-CD1 4.17Å; F11-L27 HydrophobicContact CZ-CB 4.31Å; Q23-L27 VanDerWaalsContact O-CB 3.28Å; Q23-L27 WeakPolarHBondContact O-CB 3.44Å; Q23-L27 PolarHBondContact O-N 3.45Å; K24-L27 PolarHBondContact O-N 2.69Å; L27-K31 VanDerWaalsContact O-CB 3.3Å; L27-K31 WeakPolarHBondContact O-CB 3.38Å; L27-K31 PolarHBondContact O-N 3.46Å; L27-F41 HydrophobicContact CD1-CE1 3.9Å; L27-F41 HydrophobicContact CD1-CZ 3.62Å; L27-A43 HydrophobicContact CD1-CB 3.75Å
28R93.4Very high90.4Very high170 Ų17073.3 Ų73.364%0.64235%0.35SS*.Hα-helixtrans-60.4-46.9178.1-76.4172.8-176.9164.20.9111.8K24 E25 I26 K31 A32K24-R28 WeakPolarHBondContact O-CB 3.48Å; K24-R28 VanDerWaalsContact O-CG 3.24Å; K24-R28 WeakPolarHBondContact O-CG 3.35Å; K24-R28 PolarHBondContact O-N 2.8Å; E25-R28 PolarHBondContact O-N 3.35Å; I26-R28 VanDerWaalsContact C-N 3.34Å; I26-R28 PolarHBondContact O-N 2.85Å; R28-K31 PolarHBondContact O-N 3.4Å; R28-A32 WeakPolarHBondContact O-CB 3.32Å; R28-A32 PolarHBondContact O-N 3.06Å
29A91.8Very high90.8Very high18 Ų1871.1 Ų71.115%0.14935%0.346CS..Hα-helixtrans-69.1-41-178.200000112.6E25 I26 A32 K33 T301 L303E25-A29 VanDerWaalsContact O-CB 3.29Å; E25-A29 WeakPolarHBondContact O-CB 3.47Å; E25-A29 PolarHBondContact O-N 3.43Å; I26-A29 PolarHBondContact O-N 3.25Å; A29-A32 PolarHBondContact O-N 3.46Å; A29-K33 PolarHBondContact O-N 3.48Å; A29-T301 HydrophobicContact CB-CG2 3.53Å; A29-L303 HydrophobicContact CB-CB 4.39Å; A29-L303 HydrophobicContact CB-CD1 3.41Å; A29-L303 VanDerWaalsContact CB-CD1 3.41Å; A29-L303 HydrophobicContact CB-CG 4.46Å
30L93.5Very high91.1Very high7 Ų769.5 Ų69.54%0.03734%0.34CS..Hα-helixtrans-62.5-44.3173.7-75173.4000111.3F11 I26 A32 K33 C34 F41 V75 L303F11-L30 HydrophobicContact CD2-CD1 3.58Å; F11-L30 HydrophobicContact CE2-CD1 4.17Å; F11-L30 HydrophobicContact CG-CD1 4.46Å; I26-L30 HydrophobicContact CG2-CD1 3.77Å; I26-L30 HydrophobicContact CG2-CG 4.32Å; I26-L30 WeakPolarHBondContact O-CB 3.32Å; I26-L30 WeakPolarHBondContact O-CG 3.39Å; I26-L30 PolarHBondContact O-N 3.04Å; L30-A32 VanDerWaalsContact C-N 3.34Å; L30-A32 PolarHBondContact O-N 3.45Å; L30-K33 PolarHBondContact O-N 2.98Å; L30-C34 WeakPolarHBondContact O-CB 3.38Å; L30-C34 PolarHBondContact O-N 3.41Å; L30-C34 PolarHBondContact O-SG 2.98Å; L30-F41 HydrophobicContact CB-CE2 4.15Å; L30-F41 HydrophobicContact CB-CZ 4.47Å; L30-V75 HydrophobicContact CD1-CB 4.23Å; L30-V75 HydrophobicContact CD1-CG1 4.07Å; L30-V75 HydrophobicContact CD1-CG2 4.18Å; L30-L303 HydrophobicContact CG-CD1 4.47Å
31K95.1Very high91.7Very high137 Ų13768.2 Ų68.260%0.59633%0.332SS*.Hα-helixtrans-60.5-44.3176.7-173.8176.7-178.9178.60111.6L27 R28 C35 F41L27-K31 VanDerWaalsContact O-CB 3.3Å; L27-K31 WeakPolarHBondContact O-CB 3.38Å; L27-K31 PolarHBondContact O-N 3.46Å; R28-K31 PolarHBondContact O-N 3.4Å; K31-C35 WeakPolarHBondContact O-CB 3.39Å; K31-C35 PolarHBondContact O-N 3.27Å; K31-C35 VanDerWaalsContact O-N 3.1Å; K31-F41 HydrophobicContact CB-CD1 4.27Å; K31-F41 HydrophobicContact CB-CE1 4Å; K31-F41 HydrophobicContact CG-CD1 4.2Å; K31-F41 HydrophobicContact CG-CE1 4.28Å
32A94.6Very high92.5Very high50 Ų5067.4 Ų67.441%0.41333%0.328SS..Hα-helixtrans-61-48.4176.700000111.3R28 A29 L30 C35 E36R28-A32 WeakPolarHBondContact O-CB 3.32Å; R28-A32 PolarHBondContact O-N 3.06Å; A29-A32 PolarHBondContact O-N 3.46Å; L30-A32 VanDerWaalsContact C-N 3.34Å; L30-A32 PolarHBondContact O-N 3.45Å; A32-C35 WeakPolarHBondContact O-CB 3.49Å; A32-C35 PolarHBondContact O-N 2.84Å; A32-E36 WeakPolarHBondContact O-CG 3.42Å; A32-E36 PolarHBondContact O-N 2.83Å; A32-E36 VanDerWaalsContact O-N 3.07Å
33K93.6Very high93.1Very high64 Ų6469.4 Ų69.428%0.27835%0.345SS..Hα-helixtrans-67.7-40.6-180-163105-176.395.30113.2A29 L30 C35 E36 E37 L304A29-K33 PolarHBondContact O-N 3.48Å; L30-K33 PolarHBondContact O-N 2.98Å; K33-C35 PolarHBondContact O-N 3.5Å; K33-E36 WeakPolarHBondContact CD-OE2 3.29Å; K33-E36 IonicContact NZ-OE2 3.71Å; K33-E36 PolarHBondContact NZ-OE2 3.31Å; K33-E36 WeakPolarHBondContact O-CB 3.38Å; K33-E36 PolarHBondContact O-N 2.94Å; K33-E36 VanDerWaalsContact O-N 3.08Å; K33-E37 WeakPolarHBondContact CE-OE1 3.33Å; K33-E37 HydrophobicContact CG-CG 4Å; K33-E37 IonicContact NZ-OE1 2.8Å; K33-E37 PolarHBondContact NZ-OE1 3.28Å; K33-E37 WeakPolarHBondContact O-CG 3.45Å; K33-E37 PolarHBondContact O-N 3.29Å; K33-L304 HydrophobicContact CB-CD1 3.81Å; K33-L304 HydrophobicContact CD-CD1 3.63Å; K33-L304 HydrophobicContact CG-CD1 3.3Å
34C94.3Very high93.5Very high5 Ų569.1 Ų69.13%0.03434%0.344CS..Hα-helixtrans-61.3-33.7176.5-66.50000111.6L30 E38 L39 F41L30-C34 WeakPolarHBondContact O-CB 3.38Å; L30-C34 PolarHBondContact O-N 3.41Å; L30-C34 PolarHBondContact O-SG 2.98Å; C34-E38 PolarHBondContact O-N 3.31Å; C34-E38 VanDerWaalsContact O-N 3.09Å; C34-L39 HydrophobicContact CB-CB 3.95Å; C34-L39 PolarHBondContact O-N 3.28Å; C34-F41 HydrophobicContact CB-CB 3.7Å; C34-F41 HydrophobicContact CB-CD2 4.23Å; C34-F41 HydrophobicContact CB-CG 4.14Å
35C93.4Very high93.7Very high103 Ų10366.3 Ų66.370%0.69633%0.333SS*.Hα-helixtrans-65.9-42.1172.7-173.80000112.1K31 A32 K33K31-C35 WeakPolarHBondContact O-CB 3.39Å; K31-C35 PolarHBondContact O-N 3.27Å; K31-C35 VanDerWaalsContact O-N 3.1Å; A32-C35 WeakPolarHBondContact O-CB 3.49Å; A32-C35 PolarHBondContact O-N 2.84Å; K33-C35 PolarHBondContact O-N 3.5Å
36E94.6Very high93.8Very high130 Ų13063.2 Ų63.261%0.60732%0.319SS*.Hα-helixtrans-64.9-37.2176.2-68.9169.9-172.600113.2A32 K33A32-E36 WeakPolarHBondContact O-CG 3.42Å; A32-E36 PolarHBondContact O-N 2.83Å; A32-E36 VanDerWaalsContact O-N 3.07Å; K33-E36 WeakPolarHBondContact CD-OE2 3.29Å; K33-E36 IonicContact NZ-OE2 3.71Å; K33-E36 PolarHBondContact NZ-OE2 3.31Å; K33-E36 WeakPolarHBondContact O-CB 3.38Å; K33-E36 PolarHBondContact O-N 2.94Å; K33-E36 VanDerWaalsContact O-N 3.08Å
37E93.4Very high93.8Very high109 Ų10967.6 Ų67.651%0.50934%0.342SS..THydrogen-bonded Turntrans-96.28.7-175.7-57.8-69.1160.800112.9K33 L39K33-E37 WeakPolarHBondContact CE-OE1 3.33Å; K33-E37 HydrophobicContact CG-CG 4Å; K33-E37 IonicContact NZ-OE1 2.8Å; K33-E37 PolarHBondContact NZ-OE1 3.28Å; K33-E37 WeakPolarHBondContact O-CG 3.45Å; K33-E37 PolarHBondContact O-N 3.29Å; E37-L39 VanDerWaalsContact C-N 3.27Å; E37-L39 HydrophobicContact CB-CD1 4.15Å; E37-L39 HydrophobicContact CB-CG 3.92Å; E37-L39 PolarHBondContact O-N 2.96Å
38E93.8Very high93.8Very high168 Ų16868.1 Ų68.179%0.78534%0.343SS*.THydrogen-bonded Turntrans53.738.7-179.5-57.4-175.7170.700114.3C34C34-E38 PolarHBondContact O-N 3.31Å; C34-E38 VanDerWaalsContact O-N 3.09Å
39L93.5Very high93.9Very high60 Ų6060.8 Ų60.831%0.31432%0.317SS..  trans-89.3139.5177.5-56.6177.9000111.4A7 C34 E37 F41A7-L39 HydrophobicContact CB-CD2 3.89Å; C34-L39 HydrophobicContact CB-CB 3.95Å; C34-L39 PolarHBondContact O-N 3.28Å; E37-L39 VanDerWaalsContact C-N 3.27Å; E37-L39 HydrophobicContact CB-CD1 4.15Å; E37-L39 HydrophobicContact CB-CG 3.92Å; E37-L39 PolarHBondContact O-N 2.96Å; L39-F41 PolarHBondContact O-N 2.97Å; L39-F41 VanDerWaalsContact O-N 3.16Å
40D94.6Very high94Very high64 Ų6463.6 Ų63.634%0.34233%0.332SS..EExtended strand (participates in β ladder)trans-72.2108.2171174.814.4000108.9A7 K8 L9A7-D40 PolarHBondContact O-N 3.36Å; K8-D40 CarbonylContact C-O 3.27Å; K8-D40 VanDerWaalsContact CA-O 3.3Å; K8-D40 WeakPolarHBondContact CA-O 3.25Å; K8-D40 WeakPolarHBondContact CD-OD2 3.38Å; K8-D40 WeakPolarHBondContact CE-OD2 3.46Å; K8-D40 HydrophobicContact CG-CB 3.97Å; K8-D40 WeakPolarHBondContact CG-OD2 3.26Å; K8-D40 IonicContact NZ-OD2 3.35Å; K8-D40 PolarHBondContact NZ-OD2 2.92Å; L9-D40 PolarHBondContact N-O 3.34Å
41F95.7Very high94.1Very high44 Ų4465.5 Ų65.519%0.19334%0.342CS..EExtended strand (participates in β ladder)trans-110.9129.5-173.6178.1-99000112.2L9 F11 L27 L30 K31 C34 L39 A43L9-F41 HydrophobicContact CD2-CD2 3.58Å; L9-F41 HydrophobicContact CD2-CE2 3.6Å; L9-F41 WeakPolarHBondContact O-CA 3.4Å; F11-F41 HydrophobicContact CB-CE2 3.85Å; F11-F41 HydrophobicContact CB-CZ 3.72Å; L27-F41 HydrophobicContact CD1-CE1 3.9Å; L27-F41 HydrophobicContact CD1-CZ 3.62Å; L30-F41 HydrophobicContact CB-CE2 4.15Å; L30-F41 HydrophobicContact CB-CZ 4.47Å; K31-F41 HydrophobicContact CB-CD1 4.27Å; K31-F41 HydrophobicContact CB-CE1 4Å; K31-F41 HydrophobicContact CG-CD1 4.2Å; K31-F41 HydrophobicContact CG-CE1 4.28Å; C34-F41 HydrophobicContact CB-CB 3.7Å; C34-F41 HydrophobicContact CB-CD2 4.23Å; C34-F41 HydrophobicContact CB-CG 4.14Å; L39-F41 PolarHBondContact O-N 2.97Å; L39-F41 VanDerWaalsContact O-N 3.16Å; F41-A43 HydrophobicContact CE1-CB 4.27Å; F41-A43 HydrophobicContact CZ-CB 4.42Å
42R95.3Very high94.2Very high73 Ų7359.9 Ų59.928%0.27532%0.32SS..EExtended strand (participates in β ladder)trans-129.9128.4172.2-166.1-178.9-179.1155.24.7111.2L9 W10 F11 V44L9-R42 PolarHBondContact O-N 3.11Å; L9-R42 VanDerWaalsContact O-N 3.09Å; W10-R42 CarbonylContact C-O 3.5Å; W10-R42 VanDerWaalsContact CA-O 3.24Å; W10-R42 WeakPolarHBondContact CA-O 3.1Å; W10-R42 HydrophobicContact CG-CB 4.27Å; F11-R42 PolarHBondContact N-O 3.47Å; R42-V44 HydrophobicContact CB-CG2 4.39Å; R42-V44 HydrophobicContact CG-CG2 3.72Å
43A95.8Very high94.2Very high50 Ų5063.6 Ų63.641%0.41333%0.331SS..EExtended strand (participates in β ladder)trans-89.8131.2164.400000108.9F11 L27 F41F11-A43 WeakPolarHBondContact O-CA 3.2Å; L27-A43 HydrophobicContact CD1-CB 3.75Å; F41-A43 HydrophobicContact CE1-CB 4.27Å; F41-A43 HydrophobicContact CZ-CB 4.42Å
44V95.3Very high94.2Very high2 Ų265.7 Ų65.71%0.01234%0.342CS..EExtended strand (participates in β ladder)trans-132.1136.5-176-176.70000108.9W10 F11 L12 T13 R42 V49 I62W10-V44 HydrophobicContact CD2-CG2 4.1Å; W10-V44 HydrophobicContact CE3-CG2 3.98Å; W10-V44 HydrophobicContact CZ3-CG2 4.4Å; F11-V44 PolarHBondContact O-N 2.97Å; L12-V44 WeakPolarHBondContact CA-O 3.35Å; L12-V44 HydrophobicContact CD1-CB 4.05Å; L12-V44 HydrophobicContact CD1-CG1 3.95Å; T13-V44 PolarHBondContact N-O 3.49Å; R42-V44 HydrophobicContact CB-CG2 4.39Å; R42-V44 HydrophobicContact CG-CG2 3.72Å; V44-V49 HydrophobicContact CG1-CG2 3.5Å; V44-V49 VanDerWaalsContact CG1-CG2 3.5Å; V44-I62 HydrophobicContact CG1-CD1 4.03Å; V44-I62 HydrophobicContact CG2-CD1 4.01Å
45V93.8Very high94.2Very high11 Ų1174.7 Ų74.77%0.06738%0.383CS..EExtended strand (participates in β ladder)trans-95.8138.6169.7-176.70000108.8T13 R15 D47 E48T13-V45 WeakPolarHBondContact O-CA 3.17Å; R15-V45 HydrophobicContact CB-CG1 3.87Å; V45-D47 VanDerWaalsContact C-N 3.26Å; V45-D47 HydrophobicContact CG1-CB 4.46Å; V45-D47 PolarHBondContact O-N 3.4Å; V45-E48 HydrophobicContact CB-CG 4.13Å; V45-E48 PolarHBondContact N-OE2 3Å; V45-E48 WeakPolarHBondContact O-CB 3.24Å; V45-E48 PolarHBondContact O-N 3.45Å
46M91.7Very high94.3Very high8 Ų873 Ų734%0.03938%0.384CS..G310 helixtrans-52.4-41.1-178-73.3-174.4162.300113.6L12 T13 E48 V49 V78 D88 L92L12-M46 HydrophobicContact CD1-CG 3.87Å; L12-M46 HydrophobicContact CD2-CE 3.91Å; L12-M46 HydrophobicContact CD2-CG 4.45Å; L12-M46 HydrophobicContact CG-CE 4.08Å; L12-M46 HydrophobicContact CG-CG 4.05Å; T13-M46 PolarHBondContact O-N 2.86Å; M46-E48 PolarHBondContact O-N 3.09Å; M46-E48 VanDerWaalsContact O-N 3.13Å; M46-V49 WeakPolarHBondContact O-CB 3.4Å; M46-V49 PolarHBondContact O-N 3.25Å; M46-V78 HydrophobicContact CE-CG1 3.21Å; M46-V78 HydrophobicContact SD-CG1 3.89Å; M46-D88 HydrophobicContact SD-CB 4.04Å; M46-L92 HydrophobicContact CE-CD1 4.33Å; M46-L92 HydrophobicContact CE-CD2 3.58Å; M46-L92 HydrophobicContact CE-CG 3.91Å
47D90.2Very high94.3Very high99 Ų9972 Ų7253%0.52938%0.382SS..G310 helixtrans-59.9-21.1177.8-68.431.6000114.3R15 V45 V49R15-D47 WeakPolarHBondContact CD-OD2 3.4Å; R15-D47 IonicContact CZ-OD2 2.94Å; R15-D47 IonicContact NE-OD2 3.83Å; R15-D47 IonicContact NH1-OD2 2.83Å; R15-D47 PolarHBondContact NH1-OD2 2.96Å; V45-D47 VanDerWaalsContact C-N 3.26Å; V45-D47 HydrophobicContact CG1-CB 4.46Å; V45-D47 PolarHBondContact O-N 3.4Å; D47-V49 VanDerWaalsContact C-N 3.29Å
48E93.1Very high94.4Very high59 Ų5970.1 Ų70.128%0.27638%0.375SS..G310 helixtrans-83.7-12.1179.4-60171.3177.300111.9V45 M46 I62 N63V45-E48 HydrophobicContact CB-CG 4.13Å; V45-E48 PolarHBondContact N-OE2 3Å; V45-E48 WeakPolarHBondContact O-CB 3.24Å; V45-E48 PolarHBondContact O-N 3.45Å; M46-E48 PolarHBondContact O-N 3.09Å; M46-E48 VanDerWaalsContact O-N 3.13Å; E48-I62 HydrophobicContact CB-CG2 4.09Å; E48-I62 WeakPolarHBondContact O-CA 3.36Å; E48-N63 PolarHBondContact O-N 3.49Å
49V94.3Very high94.5Very high16 Ų1662.5 Ų62.510%0.09734%0.342CS..EExtended strand (participates in β ladder)trans-92.1119.8-172.8-174.80000110.3L12 V44 M46 D47 L51 L60 V91L12-V49 HydrophobicContact CD1-CG2 4.31Å; V44-V49 HydrophobicContact CG1-CG2 3.5Å; V44-V49 VanDerWaalsContact CG1-CG2 3.5Å; M46-V49 WeakPolarHBondContact O-CB 3.4Å; M46-V49 PolarHBondContact O-N 3.25Å; D47-V49 VanDerWaalsContact C-N 3.29Å; V49-L51 HydrophobicContact CG1-CD2 3.66Å; V49-L60 HydrophobicContact CG1-CD1 3.3Å; V49-L60 HydrophobicContact CG1-CG 4.4Å; V49-V91 HydrophobicContact CB-CG1 4.43Å; V49-V91 HydrophobicContact CG1-CG1 4.16Å
50V95Very high94.6Very high77 Ų7759.6 Ų59.647%0.46733%0.327SS..EExtended strand (participates in β ladder)trans-107.8121.3170.1178.90000108.7T52 R61V50-T52 HydrophobicContact CG1-CG2 4.21Å; V50-R61 HydrophobicContact CB-CB 4.23Å; V50-R61 PolarHBondContact N-O 2.81Å; V50-R61 PolarHBondContact O-N 3.34Å
51L95.7Very high94.7Very high47 Ų4761.5 Ų61.525%0.24633%0.329CS..EExtended strand (participates in β ladder)trans-90.5134.9176.9-44.1174.3000108.4V49 L60 T90 V91 H94V49-L51 HydrophobicContact CG1-CD2 3.66Å; L51-L60 HydrophobicContact CD2-CD1 3.74Å; L51-T90 HydrophobicContact CD1-CG2 3.72Å; L51-V91 HydrophobicContact CD1-CG2 4.15Å; L51-V91 HydrophobicContact CD2-CG1 4.46Å; L51-V91 HydrophobicContact CD2-CG2 4.45Å; L51-H94 HydrophobicContact CD1-CB 3.88Å; L51-H94 HydrophobicContact CD2-CB 3.9Å; L51-H94 HydrophobicContact CG-CB 4.37Å
52T95.9Very high94.7Very high19 Ų1959.4 Ų59.412%0.11732%0.32CS..EExtended strand (participates in β ladder)trans-127150.4177.7660000111.2V50 G59 H94V50-T52 HydrophobicContact CG1-CG2 4.21Å; T52-G59 PolarHBondContact N-O 3.47Å; T52-G59 PolarHBondContact O-N 3.45Å; T52-G59 VanDerWaalsContact OG1-C 3.3Å; T52-G59 VanDerWaalsContact OG1-CA 3.25Å; T52-G59 WeakPolarHBondContact OG1-CA 3.48Å; T52-H94 PolarHBondContact O-CE1 3.07Å
53I96.3Very high94.5Very high128 Ų12861.2 Ų61.266%0.65634%0.335SS*.EExtended strand (participates in β ladder)trans-121.5104.2164-59.5175.8000105.5N57 L58I53-N57 WeakPolarHBondContact CA-O 3.27Å; I53-L58 HydrophobicContact CG1-CD2 4.28Å
54E93Very high94.3Very high107 Ų10760.8 Ų60.850%0.534%0.336SS..EExtended strand (participates in β ladder)trans-119.9122.6-176-72174.6-167.200108.7G56 N57E54-G56 PolarHBondContact O-N 2.81Å; E54-G56 VanDerWaalsContact O-N 3.11Å; E54-N57 PolarHBondContact N-O 3.23Å; E54-N57 PolarHBondContact O-N 2.83Å
55Q94.4Very high94.2Very high195 Ų19566.8 Ų66.891%0.91136%0.364SS*.THydrogen-bonded Turntrans53.533.2-176.6-54.9176.8-6.400112.9N57Q55-N57 VanDerWaalsContact C-N 3.31Å; Q55-N57 PolarHBondContact O-N 2.69Å; Q55-N57 PolarHBondContact O-ND2 2.67Å
56G94.6Very high94.2Very high68 Ų6871.2 Ų71.270%0.70139%0.386SS*.THydrogen-bonded Turntrans81.41.8-178.400000115.3E54E54-G56 PolarHBondContact O-N 2.81Å; E54-G56 VanDerWaalsContact O-N 3.11Å
57N95Very high94.3Very high107 Ų10771.5 Ų71.557%0.57239%0.388SS*.EExtended strand (participates in β ladder)trans-105.1144.1-179.4-59.3-68.6000111.5I53 E54 Q55 G59I53-N57 WeakPolarHBondContact CA-O 3.27Å; E54-N57 PolarHBondContact N-O 3.23Å; E54-N57 PolarHBondContact O-N 2.83Å; Q55-N57 VanDerWaalsContact C-N 3.31Å; Q55-N57 PolarHBondContact O-N 2.69Å; Q55-N57 PolarHBondContact O-ND2 2.67Å; N57-G59 PolarHBondContact O-N 2.92Å
58L96.6Very high94.3Very high70 Ų7072.3 Ų72.337%0.36640%0.396SS..EExtended strand (participates in β ladder)trans-71.3127.6173.5-58.9176000109.7I53 K97 M98I53-L58 HydrophobicContact CG1-CD2 4.28Å; L58-K97 HydrophobicContact CD1-CB 3.64Å; L58-M98 HydrophobicContact CB-CG 3.87Å; L58-M98 HydrophobicContact CB-SD 4.47Å; L58-M98 HydrophobicContact CD1-CG 3.92Å
59G95.5Very high94.1Very high8 Ų871.7 Ų71.78%0.08240%0.401CS..EExtended strand (participates in β ladder)trans-127167.5173.700000111.7T52 N57 H94T52-G59 PolarHBondContact N-O 3.47Å; T52-G59 PolarHBondContact O-N 3.45Å; T52-G59 VanDerWaalsContact OG1-C 3.3Å; T52-G59 VanDerWaalsContact OG1-CA 3.25Å; T52-G59 WeakPolarHBondContact OG1-CA 3.48Å; N57-G59 PolarHBondContact O-N 2.92Å; G59-H94 PolarHBondContact O-NE2 2.91Å
60L95.8Very high93.9Very high0 Ų074.2 Ų74.20%041%0.41CS..EExtended strand (participates in β ladder)trans-146.7132.5-176-173.472.5000109.3W10 V49 L51 I67 Y70 L95 M98W10-L60 HydrophobicContact CH2-CD2 3.55Å; W10-L60 HydrophobicContact CZ3-CD2 3.75Å; V49-L60 HydrophobicContact CG1-CD1 3.3Å; V49-L60 HydrophobicContact CG1-CG 4.4Å; L51-L60 HydrophobicContact CD2-CD1 3.74Å; L60-I67 HydrophobicContact CB-CB 4.23Å; L60-I67 HydrophobicContact CD2-CB 4.2Å; L60-I67 HydrophobicContact CD2-CG1 4.22Å; L60-I67 HydrophobicContact CD2-CG2 4.32Å; L60-I67 HydrophobicContact CG-CB 4.38Å; L60-I67 HydrophobicContact CG-CG1 4.28Å; L60-I67 WeakPolarHBondContact O-CB 3.34Å; L60-I67 PolarHBondContact O-N 3.03Å; L60-Y70 HydrophobicContact CB-CE1 4.15Å; L60-Y70 HydrophobicContact CD2-CD1 4.37Å; L60-L95 HydrophobicContact CD1-CD2 4.49Å; L60-L95 HydrophobicContact CD2-CD2 3.96Å; L60-M98 HydrophobicContact CB-CE 4.01Å; L60-M98 HydrophobicContact CB-SD 4.32Å
61R95.8Very high93.9Very high103 Ų10370.7 Ų70.739%0.38939%0.388SS..EExtended strand (participates in β ladder)trans-123.1145.1170.5-53.9173.472.1178.73.7110.1V50 G64 E65 L66V50-R61 HydrophobicContact CB-CB 4.23Å; V50-R61 PolarHBondContact N-O 2.81Å; V50-R61 PolarHBondContact O-N 3.34Å; R61-G64 PolarHBondContact NE-O 3.31Å; R61-G64 VanDerWaalsContact NE-O 3.13Å; R61-G64 PolarHBondContact NH2-O 3.48Å; R61-E65 CarbonylContact C-O 3.55Å; R61-E65 WeakPolarHBondContact CA-O 3.33Å; R61-E65 WeakPolarHBondContact CB-O 3.21Å; R61-L66 HydrophobicContact CG-CD1 4.39Å
62I94.8Very high93.9Very high0 Ų073.1 Ų73.10%040%0.399CS..EExtended strand (participates in β ladder)trans-126.4124171-59.8175.3000108.1W10 V44 E48 G64 E65 I67W10-I62 HydrophobicContact CH2-CD1 3.34Å; W10-I62 HydrophobicContact CZ2-CD1 4Å; W10-I62 HydrophobicContact CZ3-CD1 3.67Å; V44-I62 HydrophobicContact CG1-CD1 4.03Å; V44-I62 HydrophobicContact CG2-CD1 4.01Å; E48-I62 HydrophobicContact CB-CG2 4.09Å; E48-I62 WeakPolarHBondContact O-CA 3.36Å; I62-G64 PolarHBondContact O-N 2.84Å; I62-G64 VanDerWaalsContact O-N 3.16Å; I62-E65 PolarHBondContact N-O 3.38Å; I62-E65 PolarHBondContact O-N 3.09Å; I62-I67 HydrophobicContact CB-CD1 4.25Å; I62-I67 HydrophobicContact CB-CG1 4.45Å; I62-I67 HydrophobicContact CD1-CD1 4.17Å; I62-I67 HydrophobicContact CD1-CG1 4.09Å; I62-I67 HydrophobicContact CG1-CD1 4.2Å; I62-I67 HydrophobicContact CG1-CG1 3.97Å
63N92.1Very high93.9Very high112 Ų11274.3 Ų74.360%0.59941%0.405SS*.THydrogen-bonded Turntrans51.336.8-177.8-60.8-33.6000113.4E48 E65E48-N63 PolarHBondContact O-N 3.49Å; N63-E65 VanDerWaalsContact C-N 3.32Å; N63-E65 PolarHBondContact O-N 3.16Å
64G90.9Very high93.9Very high41 Ų4168.2 Ų68.242%0.42337%0.374SS..THydrogen-bonded Turntrans86.4-12.8-179.300000115.2R61 I62R61-G64 PolarHBondContact NE-O 3.31Å; R61-G64 VanDerWaalsContact NE-O 3.13Å; R61-G64 PolarHBondContact NH2-O 3.48Å; I62-G64 PolarHBondContact O-N 2.84Å; I62-G64 VanDerWaalsContact O-N 3.16Å
65E93.4Very high94Very high128 Ų12864.1 Ų64.160%0.59836%0.357SS*.EExtended strand (participates in β ladder)trans-86.3133.8179.3-62.7-177.6166.200111.6R61 I62 N63 I67R61-E65 CarbonylContact C-O 3.55Å; R61-E65 WeakPolarHBondContact CA-O 3.33Å; R61-E65 WeakPolarHBondContact CB-O 3.21Å; I62-E65 PolarHBondContact N-O 3.38Å; I62-E65 PolarHBondContact O-N 3.09Å; N63-E65 VanDerWaalsContact C-N 3.32Å; N63-E65 PolarHBondContact O-N 3.16Å; E65-I67 PolarHBondContact O-N 3.27Å
66L93.7Very high94.1Very high104 Ų10455.2 Ų55.255%0.54532%0.315SS..EExtended strand (participates in β ladder)trans-70.2128.1174.1179.666.7000110.5R61 T68R61-L66 HydrophobicContact CG-CD1 4.39Å; L66-T68 HydrophobicContact CD2-CG2 3.93Å; L66-T68 HydrophobicContact CG-CG2 4.02Å
67I93.9Very high93.9Very high13 Ų1352.3 Ų52.37%0.06728%0.283CS..PPolyproline II helixtrans-92.7117.1173.2-51.9-55.3000108.6W10 L60 I62 E65 Y70W10-I67 HydrophobicContact CH2-CG1 4.44Å; W10-I67 HydrophobicContact CH2-CG2 4.17Å; W10-I67 HydrophobicContact CZ2-CG2 4.2Å; L60-I67 HydrophobicContact CB-CB 4.23Å; L60-I67 HydrophobicContact CD2-CB 4.2Å; L60-I67 HydrophobicContact CD2-CG1 4.22Å; L60-I67 HydrophobicContact CD2-CG2 4.32Å; L60-I67 HydrophobicContact CG-CB 4.38Å; L60-I67 HydrophobicContact CG-CG1 4.28Å; L60-I67 WeakPolarHBondContact O-CB 3.34Å; L60-I67 PolarHBondContact O-N 3.03Å; I62-I67 HydrophobicContact CB-CD1 4.25Å; I62-I67 HydrophobicContact CB-CG1 4.45Å; I62-I67 HydrophobicContact CD1-CD1 4.17Å; I62-I67 HydrophobicContact CD1-CG1 4.09Å; I62-I67 HydrophobicContact CG1-CD1 4.2Å; I62-I67 HydrophobicContact CG1-CG1 3.97Å; E65-I67 PolarHBondContact O-N 3.27Å; I67-Y70 HydrophobicContact CB-CD1 4.49Å; I67-Y70 HydrophobicContact CB-CE1 4.18Å; I67-Y70 HydrophobicContact CG2-CD1 3.75Å; I67-Y70 HydrophobicContact CG2-CE1 3.89Å; I67-Y70 WeakPolarHBondContact O-CE1 3.24Å; I67-Y70 PolarHBondContact O-OH 3.14Å
68T89.8Confident93.6Very high116 Ų11647.4 Ų47.471%0.71226%0.257SS*.  trans-108.1-11.4179.354.80000113.2L66L66-T68 HydrophobicContact CD2-CG2 3.93Å; L66-T68 HydrophobicContact CG-CG2 4.02Å
69A89.5Confident92.8Very high46 Ų4644.5 Ų44.538%0.3824%0.243SC..SBendtrans-130104177.600000110
70Y91Very high91.8Very high69 Ų6944.5 Ų44.527%0.27124%0.241SC..  trans-81.6154.8-172.7-51.6-51.4000112.9L60 I67 M98L60-Y70 HydrophobicContact CB-CE1 4.15Å; L60-Y70 HydrophobicContact CD2-CD1 4.37Å; I67-Y70 HydrophobicContact CB-CD1 4.49Å; I67-Y70 HydrophobicContact CB-CE1 4.18Å; I67-Y70 HydrophobicContact CG2-CD1 3.75Å; I67-Y70 HydrophobicContact CG2-CE1 3.89Å; I67-Y70 WeakPolarHBondContact O-CE1 3.24Å; I67-Y70 PolarHBondContact O-OH 3.14Å; Y70-M98 HydrophobicContact CD1-CE 3.48Å; Y70-M98 VanDerWaalsContact CD1-CE 3.48Å; Y70-M98 HydrophobicContact CD2-CE 3.8Å; Y70-M98 HydrophobicContact CE1-CE 3.07Å; Y70-M98 HydrophobicContact CE2-CE 3.38Å; Y70-M98 HydrophobicContact CG-CE 3.86Å; Y70-M98 WeakPolarHBondContact OH-CE 3.29Å
71P94Very high90.4Very high3 Ų346.2 Ų46.22%0.01925%0.252CS..  trans-65.8143.4173.929.5-36.4000111.7K8 W10 V74 C100K8-P71 HydrophobicContact CB-CB 4.44Å; W10-P71 HydrophobicContact CB-CB 4.13Å; W10-P71 HydrophobicContact CB-CG 4.26Å; W10-P71 HydrophobicContact CD2-CB 3.94Å; W10-P71 HydrophobicContact CD2-CG 3.51Å; W10-P71 HydrophobicContact CE3-CG 3.79Å; W10-P71 HydrophobicContact CG-CB 3.64Å; W10-P71 HydrophobicContact CG-CG 3.73Å; W10-P71 HydrophobicContact CZ2-CG 4.35Å; W10-P71 HydrophobicContact CZ3-CG 4.31Å; P71-V74 HydrophobicContact CB-CG2 4.08Å; P71-V74 HydrophobicContact CG-CG2 3.54Å; P71-C100 PolarHBondContact O-SG 3.21Å; P71-C100 VanDerWaalsContact O-SG 3.34Å
72Q94.9Very high89.2Confident99 Ų9948.9 Ų48.946%0.46326%0.262SS..SBendtrans-74.3-37.6168.7-73.57245.700110.6K8 R101K8-Q72 PolarHBondContact O-N 3.09Å; Q72-R101 WeakPolarHBondContact O-CB 3.43Å; Q72-R101 PolarHBondContact O-N 2.98Å
73V96Very high88.3Confident43 Ų4349.4 Ų49.426%0.26127%0.265SS..EExtended strand (participates in β ladder)trans-128.7137.5-179.2-178.90000110.6K8 L9 W10 R101 M103K8-V73 PolarHBondContact O-N 2.93Å; L9-V73 WeakPolarHBondContact CA-O 3.29Å; L9-V73 HydrophobicContact CD1-CG1 4.49Å; W10-V73 PolarHBondContact N-O 3.08Å; V73-R101 CarbonylContact C-O 3.29Å; V73-R101 WeakPolarHBondContact CA-O 3.44Å; V73-R101 HydrophobicContact CG2-CB 4.37Å; V73-M103 HydrophobicContact CG1-CG 4.4Å; V73-M103 HydrophobicContact CG1-SD 3.97Å
74V97.1Very high87.4Confident0 Ų049.3 Ų49.30%026%0.261CS..EExtended strand (participates in β ladder)trans-123.1114.4174-172.90000108.8W10 L12 P71 V76 C100 R101 L102 M103W10-V74 HydrophobicContact CB-CG1 4.21Å; W10-V74 HydrophobicContact CB-CG2 4.3Å; W10-V74 CarbonylContact O-C 3.55Å; W10-V74 WeakPolarHBondContact O-CA 3.46Å; L12-V74 HydrophobicContact CB-CG1 3.6Å; L12-V74 HydrophobicContact CD2-CG1 4.22Å; P71-V74 HydrophobicContact CB-CG2 4.08Å; P71-V74 HydrophobicContact CG-CG2 3.54Å; V74-V76 HydrophobicContact CG1-CG2 4.01Å; V74-V76 PolarHBondContact O-N 3.07Å; V74-C100 HydrophobicContact CG2-CB 4.03Å; V74-R101 PolarHBondContact N-O 3.31Å; V74-L102 HydrophobicContact CB-CD1 4.43Å; V74-L102 HydrophobicContact CB-CG 4.21Å; V74-L102 HydrophobicContact CG2-CD1 4.44Å; V74-L102 CarbonylContact O-C 3.58Å; V74-L102 WeakPolarHBondContact O-CA 3.34Å; V74-M103 PolarHBondContact O-N 2.94Å
75V95.9Very high86.3Confident22 Ų2249.5 Ų49.513%0.13326%0.256CS..EExtended strand (participates in β ladder)trans-80114168.2-178.70000108L9 W10 F11 L12 L30L9-V75 HydrophobicContact CD1-CG2 4.45Å; L9-V75 HydrophobicContact CD2-CG2 4.25Å; W10-V75 PolarHBondContact O-N 3.28Å; F11-V75 HydrophobicContact CD2-CB 4.26Å; F11-V75 HydrophobicContact CD2-CG1 4.1Å; F11-V75 HydrophobicContact CE2-CG1 4.41Å; L12-V75 PolarHBondContact N-O 3.25Å; L30-V75 HydrophobicContact CD1-CB 4.23Å; L30-V75 HydrophobicContact CD1-CG1 4.07Å; L30-V75 HydrophobicContact CD1-CG2 4.18Å
76V94.9Very high85.6Confident7 Ų750.2 Ų50.24%0.04226%0.264CS..EExtended strand (participates in β ladder)trans-101.1126.4-172.7179.50000110.1V74 V78 L92 L102 M103 I109V74-V76 HydrophobicContact CG1-CG2 4.01Å; V74-V76 PolarHBondContact O-N 3.07Å; V76-V78 HydrophobicContact CG1-CG1 3.95Å; V76-V78 HydrophobicContact CG1-CG2 4.47Å; V76-L92 HydrophobicContact CB-CD2 4.35Å; V76-L92 HydrophobicContact CG1-CD1 3.75Å; V76-L92 HydrophobicContact CG1-CD2 3.57Å; V76-L92 HydrophobicContact CG1-CG 4.32Å; V76-L92 HydrophobicContact CG2-CD2 3.77Å; V76-L102 HydrophobicContact CG2-CB 4.09Å; V76-L102 HydrophobicContact CG2-CD2 4.13Å; V76-L102 HydrophobicContact CG2-CG 4Å; V76-M103 PolarHBondContact N-O 2.79Å; V76-I109 HydrophobicContact CG1-CD1 3.9Å
77R91.7Very high85.1Confident8 Ų847.7 Ų47.73%0.0326%0.255CS..EExtended strand (participates in β ladder)trans-129.3102174.7-57.9-62.9-75.7-174.81.1110.2F11 L12 T13 D14 Q23 N281 P282F11-R77 HydrophobicContact CD2-CG 4.43Å; F11-R77 HydrophobicContact CE2-CB 4.43Å; F11-R77 HydrophobicContact CE2-CG 3.48Å; F11-R77 VanDerWaalsContact CE2-CG 3.48Å; F11-R77 HydrophobicContact CZ-CB 4.24Å; F11-R77 HydrophobicContact CZ-CG 3.72Å; L12-R77 PolarHBondContact O-N 3.1Å; T13-R77 VanDerWaalsContact CA-O 3.28Å; T13-R77 WeakPolarHBondContact CA-O 3.16Å; T13-R77 PolarHBondContact OG1-O 2.88Å; D14-R77 PolarHBondContact N-O 2.6Å; Q23-R77 VanDerWaalsContact OE1-CB 3.24Å; Q23-R77 VanDerWaalsContact OE1-CG 3.23Å; R77-N281 PolarHBondContact NE-OD1 2.75Å; R77-N281 PolarHBondContact NH1-OD1 3.13Å; R77-N281 PolarHBondContact NH2-OD1 2.99Å; R77-P282 PolarHBondContact NH2-O 2.92Å; R77-P282 VanDerWaalsContact NH2-O 3.13Å
78V88Confident84.9Confident3 Ų347.5 Ų47.52%0.01825%0.254CS..  trans-122.8150.1-179.5-66.70000111.2M46 V76 T80 V83 L92 I109 N281M46-V78 HydrophobicContact CE-CG1 3.21Å; M46-V78 HydrophobicContact SD-CG1 3.89Å; V76-V78 HydrophobicContact CG1-CG1 3.95Å; V76-V78 HydrophobicContact CG1-CG2 4.47Å; V78-T80 VanDerWaalsContact C-N 3.33Å; V78-T80 PolarHBondContact O-N 3.03Å; V78-V83 HydrophobicContact CB-CG2 3.82Å; V78-V83 HydrophobicContact CG2-CG2 3.47Å; V78-V83 VanDerWaalsContact CG2-CG2 3.47Å; V78-L92 HydrophobicContact CG1-CD1 4.47Å; V78-I109 HydrophobicContact CG2-CD1 3.98Å; V78-I109 HydrophobicContact CG2-CG2 4Å; V78-N281 PolarHBondContact O-ND2 3.24Å
79P80.2Confident85Confident10 Ų1042.2 Ų42.27%0.06522%0.222CC..  trans-72.884.8178.829.5-34.2000110.2D14 I17 P81 W82 V83D14-P79 HydrophobicContact CB-CG 4.4Å; I17-P79 HydrophobicContact CD1-CB 4.5Å; I17-P79 HydrophobicContact CG2-CB 3.84Å; I17-P79 HydrophobicContact CG2-CG 4.47Å; P79-P81 VanDerWaalsContact C-N 3.29Å; P79-P81 VanDerWaalsContact O-CD 3.28Å; P79-P81 WeakPolarHBondContact O-CD 3.2Å; P79-W82 HydrophobicContact CB-CB 4.23Å; P79-W82 HydrophobicContact CG-CB 4.28Å; P79-W82 CarbonylContact O-C 3.57Å; P79-W82 VanDerWaalsContact O-C 3.27Å; P79-W82 WeakPolarHBondContact O-CA 3.33Å; P79-W82 PolarHBondContact O-N 3.35Å; P79-V83 WeakPolarHBondContact O-CG2 3.43Å; P79-V83 PolarHBondContact O-N 3.27Å
80T73.6Confident85.3Confident8 Ų843.3 Ų43.35%0.04922%0.224CC..G310 helixtrans-39.8-42.4-173.3-46.90000116.1V78 W82 C112 V113 A280 N281V78-T80 VanDerWaalsContact C-N 3.33Å; V78-T80 PolarHBondContact O-N 3.03Å; T80-W82 VanDerWaalsContact C-N 3.28Å; T80-W82 PolarHBondContact O-N 3.47Å; T80-C112 HydrophobicContact CG2-CB 4.35Å; T80-V113 HydrophobicContact CG2-CG2 4.26Å; T80-A280 HydrophobicContact CG2-CB 4.42Å; T80-N281 WeakPolarHBondContact OG1-CB 3.4Å
81P66.4Low85.5Confident35 Ų3540.7 Ų40.723%0.22722%0.215CC..G310 helixtrans-73.8-19.5179.9-15.232.5000114.2P79 H163P79-P81 VanDerWaalsContact C-N 3.29Å; P79-P81 VanDerWaalsContact O-CD 3.28Å; P79-P81 WeakPolarHBondContact O-CD 3.2Å; P81-H163 HydrophobicContact CB-CB 3.82Å; P81-H163 HydrophobicContact CG-CB 3.28Å; P81-H163 VanDerWaalsContact CG-CG 3.45Å
82W70.7Confident85.5Confident159 Ų15940.6 Ų40.660%0.60221%0.214SC*.G310 helixtrans-121.313.1-176.1-48.697.5000111.8R16 P79 T80 Q84 H163R16-W82 PolarHBondContact NH1-O 3.09Å; P79-W82 HydrophobicContact CB-CB 4.23Å; P79-W82 HydrophobicContact CG-CB 4.28Å; P79-W82 CarbonylContact O-C 3.57Å; P79-W82 VanDerWaalsContact O-C 3.27Å; P79-W82 WeakPolarHBondContact O-CA 3.33Å; P79-W82 PolarHBondContact O-N 3.35Å; T80-W82 VanDerWaalsContact C-N 3.28Å; T80-W82 PolarHBondContact O-N 3.47Å; W82-Q84 PolarHBondContact O-N 2.95Å; W82-H163 AromaticContact CE2-CE1 3.8Å; W82-H163 AromaticContact CZ2-CE1 3.72Å; W82-H163 AromaticContact NE1-CE1 3.34Å; W82-H163 PolarHBondContact NE1-CE1 2.88Å; W82-H163 VanDerWaalsContact NE1-CE1 3.34Å; W82-H163 AromaticContact NE1-NE2 3.28Å; W82-H163 PolarHBondContact NE1-NE2 3.1Å
83V76.2Confident85.6Confident11 Ų1141.8 Ų41.87%0.06721%0.214CC..  trans-57.4116.6174.5164.40000106.4V78 P79 S85 D88 I89 I109 V113V78-V83 HydrophobicContact CB-CG2 3.82Å; V78-V83 HydrophobicContact CG2-CG2 3.47Å; V78-V83 VanDerWaalsContact CG2-CG2 3.47Å; P79-V83 WeakPolarHBondContact O-CG2 3.43Å; P79-V83 PolarHBondContact O-N 3.27Å; V83-S85 PolarHBondContact O-N 3.43Å; V83-D88 WeakPolarHBondContact CA-OD2 3.46Å; V83-D88 HydrophobicContact CG1-CB 4.24Å; V83-I89 HydrophobicContact CG1-CD1 3.76Å; V83-I89 HydrophobicContact CG1-CG1 3.72Å; V83-I109 HydrophobicContact CG2-CG2 4.11Å; V83-V113 HydrophobicContact CB-CG2 4.28Å
84Q72.7Confident85.6Confident110 Ų11040.8 Ų40.851%0.51421%0.207SC..  trans-79.8107.6175.7-70.7-173.2-23.900106.9W82 D86 S87 D88 I89W82-Q84 PolarHBondContact O-N 2.95Å; Q84-D86 PolarHBondContact O-N 2.81Å; Q84-D86 VanDerWaalsContact O-N 3.08Å; Q84-S87 WeakPolarHBondContact CB-OG 3.44Å; Q84-S87 PolarHBondContact O-N 3.48Å; Q84-S87 PolarHBondContact OE1-OG 3.37Å; Q84-D88 PolarHBondContact N-OD2 3.3Å; Q84-D88 WeakPolarHBondContact O-CB 3.24Å; Q84-D88 PolarHBondContact O-N 3.27Å; Q84-I89 PolarHBondContact O-N 3.47Å
85S69.3Low85.6Confident45 Ų4540.8 Ų40.832%0.31521%0.207SC..THydrogen-bonded Turntrans-62.5-17.6-173-53.50000113.7V83 I89V83-S85 PolarHBondContact O-N 3.43Å; S85-I89 VanDerWaalsContact O-CB 3.29Å; S85-I89 WeakPolarHBondContact O-CB 3.5Å
86D78.2Confident85.6Confident144 Ų14443.2 Ų43.277%0.7722%0.217SC*.THydrogen-bonded Turntrans-102.4-20-178.8-61.2-24.8000113.6Q84 T90Q84-D86 PolarHBondContact O-N 2.81Å; Q84-D86 VanDerWaalsContact O-N 3.08Å; D86-T90 VanDerWaalsContact O-CB 3.24Å; D86-T90 WeakPolarHBondContact O-CB 3.48Å; D86-T90 PolarHBondContact O-OG1 3.45Å
87S84Confident85.7Confident50 Ų5050.2 Ų50.235%0.3525%0.246SC..THydrogen-bonded Turntrans-105.9-64.8178.152.30000111.2Q84 I89 T90 V91Q84-S87 WeakPolarHBondContact CB-OG 3.44Å; Q84-S87 PolarHBondContact O-N 3.48Å; Q84-S87 PolarHBondContact OE1-OG 3.37Å; S87-I89 PolarHBondContact O-N 3.16Å; S87-T90 WeakPolarHBondContact O-CB 3.41Å; S87-T90 PolarHBondContact O-N 3.31Å; S87-T90 VanDerWaalsContact O-N 3.09Å; S87-V91 PolarHBondContact O-N 2.99Å; S87-V91 VanDerWaalsContact O-N 3.16Å
88D89Confident85.8Confident9 Ų951.3 Ų51.35%0.04825%0.252CS..Hα-helixtrans-57.2-50.8-177.2-57.8-22.3000110.4R16 M46 V83 Q84 T90 V91 L92R16-D88 IonicContact NH2-OD1 2.73Å; R16-D88 IonicContact NH2-OD2 3.22Å; R16-D88 PolarHBondContact NH2-OD2 3.09Å; M46-D88 HydrophobicContact SD-CB 4.04Å; V83-D88 WeakPolarHBondContact CA-OD2 3.46Å; V83-D88 HydrophobicContact CG1-CB 4.24Å; Q84-D88 PolarHBondContact N-OD2 3.3Å; Q84-D88 WeakPolarHBondContact O-CB 3.24Å; Q84-D88 PolarHBondContact O-N 3.27Å; D88-T90 VanDerWaalsContact C-N 3.29Å; D88-T90 PolarHBondContact O-N 2.87Å; D88-V91 PolarHBondContact O-N 3.16Å; D88-L92 WeakPolarHBondContact O-CG 3.36Å; D88-L92 PolarHBondContact O-N 2.87Å; D88-L92 VanDerWaalsContact O-N 3.16Å
89I92.4Very high86.2Confident6 Ų654.2 Ų54.23%0.03128%0.283CS..Hα-helixtrans-67.5-29.8-179.6-62.5-63.3000111.7V83 Q84 S85 S87 L92 R93 P106 I109 L110V83-I89 HydrophobicContact CG1-CD1 3.76Å; V83-I89 HydrophobicContact CG1-CG1 3.72Å; Q84-I89 PolarHBondContact O-N 3.47Å; S85-I89 VanDerWaalsContact O-CB 3.29Å; S85-I89 WeakPolarHBondContact O-CB 3.5Å; S87-I89 PolarHBondContact O-N 3.16Å; I89-L92 HydrophobicContact CD1-CD1 4.32Å; I89-L92 PolarHBondContact O-N 3.16Å; I89-R93 HydrophobicContact CG2-CG 3.93Å; I89-R93 WeakPolarHBondContact O-CB 3.36Å; I89-R93 VanDerWaalsContact O-CG 3.27Å; I89-R93 WeakPolarHBondContact O-CG 3.31Å; I89-R93 PolarHBondContact O-N 3.15Å; I89-P106 HydrophobicContact CD1-CB 4.5Å; I89-P106 HydrophobicContact CG2-CB 4.4Å; I89-I109 HydrophobicContact CD1-CG2 4.43Å; I89-L110 HydrophobicContact CD1-CD2 4.09Å; I89-L110 HydrophobicContact CD1-CG 4Å; I89-L110 HydrophobicContact CG1-CD2 4.04Å; I89-L110 HydrophobicContact CG1-CG 4.39Å; I89-L110 HydrophobicContact CG2-CD1 4.28Å
90T94.3Very high87Confident69 Ų6954 Ų5442%0.42328%0.282SS..Hα-helixtrans-63.6-44.6176-680000111L51 D86 S87 D88 L92 R93 H94L51-T90 HydrophobicContact CD1-CG2 3.72Å; D86-T90 VanDerWaalsContact O-CB 3.24Å; D86-T90 WeakPolarHBondContact O-CB 3.48Å; D86-T90 PolarHBondContact O-OG1 3.45Å; S87-T90 WeakPolarHBondContact O-CB 3.41Å; S87-T90 PolarHBondContact O-N 3.31Å; S87-T90 VanDerWaalsContact O-N 3.09Å; D88-T90 VanDerWaalsContact C-N 3.29Å; D88-T90 PolarHBondContact O-N 2.87Å; T90-L92 PolarHBondContact O-N 3.28Å; T90-R93 PolarHBondContact O-N 3.25Å; T90-H94 WeakPolarHBondContact O-CB 3.39Å; T90-H94 PolarHBondContact O-N 3.14Å
91V95.2Very high88.1Confident14 Ų1459.2 Ų59.29%0.08530%0.301CS..Hα-helixtrans-59.2-47.2173.2176.70000110.9L12 V49 L51 S87 D88 H94 L95L12-V91 HydrophobicContact CD2-CG1 4.12Å; V49-V91 HydrophobicContact CB-CG1 4.43Å; V49-V91 HydrophobicContact CG1-CG1 4.16Å; L51-V91 HydrophobicContact CD1-CG2 4.15Å; L51-V91 HydrophobicContact CD2-CG1 4.46Å; L51-V91 HydrophobicContact CD2-CG2 4.45Å; S87-V91 PolarHBondContact O-N 2.99Å; S87-V91 VanDerWaalsContact O-N 3.16Å; D88-V91 PolarHBondContact O-N 3.16Å; V91-H94 PolarHBondContact O-N 3.11Å; V91-L95 HydrophobicContact CG1-CD1 4.22Å; V91-L95 WeakPolarHBondContact O-CG 3.24Å; V91-L95 PolarHBondContact O-N 3.01Å
92L95.7Very high89.5Confident0 Ų057.7 Ų57.70%029%0.291CS..Hα-helixtrans-65.8-43.4-177.7-59.9-177.6000112.5L12 M46 V76 V78 D88 I89 T90 H94 L95 E96 L102 P106 I109L12-L92 HydrophobicContact CD2-CD2 3.6Å; M46-L92 HydrophobicContact CE-CD1 4.33Å; M46-L92 HydrophobicContact CE-CD2 3.58Å; M46-L92 HydrophobicContact CE-CG 3.91Å; V76-L92 HydrophobicContact CB-CD2 4.35Å; V76-L92 HydrophobicContact CG1-CD1 3.75Å; V76-L92 HydrophobicContact CG1-CD2 3.57Å; V76-L92 HydrophobicContact CG1-CG 4.32Å; V76-L92 HydrophobicContact CG2-CD2 3.77Å; V78-L92 HydrophobicContact CG1-CD1 4.47Å; D88-L92 WeakPolarHBondContact O-CG 3.36Å; D88-L92 PolarHBondContact O-N 2.87Å; D88-L92 VanDerWaalsContact O-N 3.16Å; I89-L92 HydrophobicContact CD1-CD1 4.32Å; I89-L92 PolarHBondContact O-N 3.16Å; T90-L92 PolarHBondContact O-N 3.28Å; L92-H94 VanDerWaalsContact C-N 3.3Å; L92-H94 PolarHBondContact O-N 3.12Å; L92-L95 PolarHBondContact O-N 3.44Å; L92-E96 WeakPolarHBondContact O-CB 3.42Å; L92-E96 PolarHBondContact O-N 3.43Å; L92-L102 HydrophobicContact CB-CD2 3.74Å; L92-L102 HydrophobicContact CD2-CD2 3.91Å; L92-L102 HydrophobicContact CG-CD2 4.37Å; L92-L102 WeakPolarHBondContact O-CD2 3.44Å; L92-P106 HydrophobicContact CB-CB 4.17Å; L92-P106 HydrophobicContact CB-CG 3.75Å; L92-I109 HydrophobicContact CD1-CD1 3.63Å
93R96.1Very high90.7Very high125 Ų12552.5 Ų52.547%0.47227%0.274SS..Hα-helixtrans-62.7-38.5175.8-75.2176.46687.1-1.6111.5I89 T90 E96 K97 P106I89-R93 HydrophobicContact CG2-CG 3.93Å; I89-R93 WeakPolarHBondContact O-CB 3.36Å; I89-R93 VanDerWaalsContact O-CG 3.27Å; I89-R93 WeakPolarHBondContact O-CG 3.31Å; I89-R93 PolarHBondContact O-N 3.15Å; T90-R93 PolarHBondContact O-N 3.25Å; R93-E96 PolarHBondContact O-N 3.45Å; R93-K97 WeakPolarHBondContact O-CB 3.3Å; R93-K97 VanDerWaalsContact O-CG 3.25Å; R93-K97 WeakPolarHBondContact O-CG 3.47Å; R93-K97 PolarHBondContact O-N 2.86Å; R93-P106 HydrophobicContact CG-CB 4.05Å; R93-P106 HydrophobicContact CG-CG 4.09Å
94H96.6Very high91.6Very high21 Ų2152.1 Ų52.110%0.09727%0.271CS..Hα-helixtrans-63.2-49.5177.6-166.793000111.1L51 T52 G59 T90 V91 L92 E96 K97 M98L51-H94 HydrophobicContact CD1-CB 3.88Å; L51-H94 HydrophobicContact CD2-CB 3.9Å; L51-H94 HydrophobicContact CG-CB 4.37Å; T52-H94 PolarHBondContact O-CE1 3.07Å; G59-H94 PolarHBondContact O-NE2 2.91Å; T90-H94 WeakPolarHBondContact O-CB 3.39Å; T90-H94 PolarHBondContact O-N 3.14Å; V91-H94 PolarHBondContact O-N 3.11Å; L92-H94 VanDerWaalsContact C-N 3.3Å; L92-H94 PolarHBondContact O-N 3.12Å; H94-E96 VanDerWaalsContact C-N 3.34Å; H94-E96 PolarHBondContact O-N 2.91Å; H94-K97 PolarHBondContact O-N 2.78Å; H94-K97 VanDerWaalsContact O-N 3.16Å; H94-M98 PolarHBondContact CD2-SD 3.33Å; H94-M98 PolarHBondContact NE2-SD 2.74Å; H94-M98 VanDerWaalsContact O-CG 3.26Å; H94-M98 WeakPolarHBondContact O-CG 3.48Å; H94-M98 PolarHBondContact O-N 2.96Å
95L96.6Very high92.7Very high1 Ų151.8 Ų51.81%0.00527%0.265CS..Hα-helixtrans-60.3-41.6176.1-68.6171.1000112.5W10 L12 L60 V91 L92 M98 G99 C100 L102W10-L95 HydrophobicContact CZ3-CD2 4.37Å; L12-L95 HydrophobicContact CD2-CD1 3.62Å; L60-L95 HydrophobicContact CD1-CD2 4.49Å; L60-L95 HydrophobicContact CD2-CD2 3.96Å; V91-L95 HydrophobicContact CG1-CD1 4.22Å; V91-L95 WeakPolarHBondContact O-CG 3.24Å; V91-L95 PolarHBondContact O-N 3.01Å; L92-L95 PolarHBondContact O-N 3.44Å; L95-M98 PolarHBondContact O-N 3.5Å; L95-G99 PolarHBondContact O-N 2.82Å; L95-C100 HydrophobicContact CB-CB 4.38Å; L95-C100 VanDerWaalsContact O-CB 3.24Å; L95-C100 WeakPolarHBondContact O-CB 3.39Å; L95-C100 PolarHBondContact O-N 3.07Å; L95-C100 VanDerWaalsContact O-N 3.08Å; L95-C100 PolarHBondContact O-SG 3.47Å; L95-L102 HydrophobicContact CB-CD1 4.01Å; L95-L102 HydrophobicContact CB-CD2 4.47Å
96E96.5Very high93.8Very high73 Ų7349.7 Ų49.734%0.34125%0.251SS..Hα-helixtrans-62-42.6175-174.9177.1-119.300111.5L92 R93 H94 M98 G99 L102 P106L92-E96 WeakPolarHBondContact O-CB 3.42Å; L92-E96 PolarHBondContact O-N 3.43Å; R93-E96 PolarHBondContact O-N 3.45Å; H94-E96 VanDerWaalsContact C-N 3.34Å; H94-E96 PolarHBondContact O-N 2.91Å; E96-M98 VanDerWaalsContact C-N 3.28Å; E96-M98 PolarHBondContact O-N 2.78Å; E96-G99 PolarHBondContact O-N 2.79Å; E96-L102 HydrophobicContact CB-CD1 4.21Å; E96-P106 HydrophobicContact CB-CG 4.49Å; E96-P106 WeakPolarHBondContact OE1-CD 3.3Å
97K96.3Very high94.6Very high153 Ų15346.9 Ų46.967%0.66523%0.233SC*.Hα-helixtrans-68-25.4176.4-73.8-68.9-177.6-173.90113.7L58 R93 H94 G99L58-K97 HydrophobicContact CD1-CB 3.64Å; R93-K97 WeakPolarHBondContact O-CB 3.3Å; R93-K97 VanDerWaalsContact O-CG 3.25Å; R93-K97 WeakPolarHBondContact O-CG 3.47Å; R93-K97 PolarHBondContact O-N 2.86Å; H94-K97 PolarHBondContact O-N 2.78Å; H94-K97 VanDerWaalsContact O-N 3.16Å; K97-G99 PolarHBondContact O-N 2.85Å
98M94.8Very high95.1Very high31 Ų3144.5 Ų44.515%0.15322%0.216CC..THydrogen-bonded Turntrans-76.80170.5-64.8174.778.500113L58 L60 Y70 H94 L95 E96L58-M98 HydrophobicContact CB-CG 3.87Å; L58-M98 HydrophobicContact CB-SD 4.47Å; L58-M98 HydrophobicContact CD1-CG 3.92Å; L60-M98 HydrophobicContact CB-CE 4.01Å; L60-M98 HydrophobicContact CB-SD 4.32Å; Y70-M98 HydrophobicContact CD1-CE 3.48Å; Y70-M98 VanDerWaalsContact CD1-CE 3.48Å; Y70-M98 HydrophobicContact CD2-CE 3.8Å; Y70-M98 HydrophobicContact CE1-CE 3.07Å; Y70-M98 HydrophobicContact CE2-CE 3.38Å; Y70-M98 HydrophobicContact CG-CE 3.86Å; Y70-M98 WeakPolarHBondContact OH-CE 3.29Å; H94-M98 PolarHBondContact CD2-SD 3.33Å; H94-M98 PolarHBondContact NE2-SD 2.74Å; H94-M98 VanDerWaalsContact O-CG 3.26Å; H94-M98 WeakPolarHBondContact O-CG 3.48Å; H94-M98 PolarHBondContact O-N 2.96Å; L95-M98 PolarHBondContact O-N 3.5Å; E96-M98 VanDerWaalsContact C-N 3.28Å; E96-M98 PolarHBondContact O-N 2.78Å
99G94.8Very high95.3Very high65 Ų6544.3 Ų44.367%0.6722%0.215SC*.THydrogen-bonded Turntrans91.18.7176.800000114.7L95 E96 K97L95-G99 PolarHBondContact O-N 2.82Å; E96-G99 PolarHBondContact O-N 2.79Å; K97-G99 PolarHBondContact O-N 2.85Å
100C96.7Very high95.3Very high6 Ų645.4 Ų45.44%0.04122%0.221CC..  trans-74140.3177.2-51.50000110.6P71 V74 L95 L102P71-C100 PolarHBondContact O-SG 3.21Å; P71-C100 VanDerWaalsContact O-SG 3.34Å; V74-C100 HydrophobicContact CG2-CB 4.03Å; L95-C100 HydrophobicContact CB-CB 4.38Å; L95-C100 VanDerWaalsContact O-CB 3.24Å; L95-C100 WeakPolarHBondContact O-CB 3.39Å; L95-C100 PolarHBondContact O-N 3.07Å; L95-C100 VanDerWaalsContact O-N 3.08Å; L95-C100 PolarHBondContact O-SG 3.47Å; C100-L102 HydrophobicContact CB-CD1 3.8Å; C100-L102 WeakPolarHBondContact O-CD1 3.48Å; C100-L102 PolarHBondContact O-N 3.46Å
101R96.6Very high95.2Very high116 Ų11642.5 Ų42.544%0.43820%0.203SC..EExtended strand (participates in β ladder)trans-83.6112.7170.6178.559.2170.782.43.6110.5Q72 V73 V74 D259Q72-R101 WeakPolarHBondContact O-CB 3.43Å; Q72-R101 PolarHBondContact O-N 2.98Å; V73-R101 CarbonylContact C-O 3.29Å; V73-R101 WeakPolarHBondContact CA-O 3.44Å; V73-R101 HydrophobicContact CG2-CB 4.37Å; V74-R101 PolarHBondContact N-O 3.31Å; R101-D259 IonicContact CZ-OD1 2.69Å; R101-D259 IonicContact CZ-OD2 3.02Å; R101-D259 IonicContact NH1-OD1 3.23Å; R101-D259 IonicContact NH1-OD2 3.96Å; R101-D259 PolarHBondContact NH1-OD2 3.33Å; R101-D259 VanDerWaalsContact NH2-CG 3.29Å; R101-D259 IonicContact NH2-OD1 3.41Å; R101-D259 PolarHBondContact NH2-OD1 3Å; R101-D259 IonicContact NH2-OD2 2.89Å; R101-D259 PolarHBondContact NH2-OD2 2.83Å
102L97Very high94.9Very high3 Ų342.3 Ų42.32%0.01620%0.202CC..EExtended strand (participates in β ladder)trans-97.2131.7-178.4-81.766.9000112.2V74 V76 L92 L95 E96 C100 N104 R105 P106V74-L102 HydrophobicContact CB-CD1 4.43Å; V74-L102 HydrophobicContact CB-CG 4.21Å; V74-L102 HydrophobicContact CG2-CD1 4.44Å; V74-L102 CarbonylContact O-C 3.58Å; V74-L102 WeakPolarHBondContact O-CA 3.34Å; V76-L102 HydrophobicContact CG2-CB 4.09Å; V76-L102 HydrophobicContact CG2-CD2 4.13Å; V76-L102 HydrophobicContact CG2-CG 4Å; L92-L102 HydrophobicContact CB-CD2 3.74Å; L92-L102 HydrophobicContact CD2-CD2 3.91Å; L92-L102 HydrophobicContact CG-CD2 4.37Å; L92-L102 WeakPolarHBondContact O-CD2 3.44Å; L95-L102 HydrophobicContact CB-CD1 4.01Å; L95-L102 HydrophobicContact CB-CD2 4.47Å; E96-L102 HydrophobicContact CB-CD1 4.21Å; C100-L102 HydrophobicContact CB-CD1 3.8Å; C100-L102 WeakPolarHBondContact O-CD1 3.48Å; C100-L102 PolarHBondContact O-N 3.46Å; L102-N104 CarbonylContact O-C 3.49Å; L102-N104 VanDerWaalsContact O-C 3.29Å; L102-R105 PolarHBondContact O-N 3.48Å; L102-R105 VanDerWaalsContact O-N 3.11Å; L102-P106 HydrophobicContact CD2-CG 4.3Å
103M95.4Very high94.6Very high51 Ų5142.9 Ų42.925%0.25121%0.205SC..EExtended strand (participates in β ladder)trans-11996.7176.6-64.117975.800110.2V73 V74 V76 D259V73-M103 HydrophobicContact CG1-CG 4.4Å; V73-M103 HydrophobicContact CG1-SD 3.97Å; V74-M103 PolarHBondContact O-N 2.94Å; V76-M103 PolarHBondContact N-O 2.79Å; M103-D259 HydrophobicContact CB-CB 4.15Å; M103-D259 HydrophobicContact CE-CB 3.68Å; M103-D259 HydrophobicContact CG-CB 4.13Å
104N95Very high94.3Very high3 Ų337.5 Ų37.52%0.01619%0.186CC..SBendcis-83.9156.4-1.5-67.3-45.6000112.6L102 A108 I109 D259 V260 A280L102-N104 CarbonylContact O-C 3.49Å; L102-N104 VanDerWaalsContact O-C 3.29Å; N104-A108 HydrophobicContact CB-CB 4.37Å; N104-I109 HydrophobicContact CB-CD1 4.28Å; N104-I109 HydrophobicContact CB-CG1 3.85Å; N104-D259 WeakPolarHBondContact OD1-CA 3.45Å; N104-D259 PolarHBondContact OD1-N 3.1Å; N104-V260 PolarHBondContact ND2-O 2.88Å; N104-V260 PolarHBondContact OD1-N 3.47Å; N104-A280 PolarHBondContact ND2-O 2.96Å
105R95.3Very high94Very high102 Ų10237.2 Ų37.239%0.38519%0.185SC..  trans-67156.7172.168177.4-178.4167.71.9112.4L102 Q107 A108 I109L102-R105 PolarHBondContact O-N 3.48Å; L102-R105 VanDerWaalsContact O-N 3.11Å; R105-Q107 VanDerWaalsContact C-N 3.32Å; R105-Q107 PolarHBondContact O-N 2.9Å; R105-A108 HydrophobicContact CG-CB 3.61Å; R105-A108 PolarHBondContact O-N 2.95Å; R105-A108 VanDerWaalsContact O-N 3.15Å; R105-I109 PolarHBondContact O-N 3.32Å; R105-I109 VanDerWaalsContact O-N 3.14Å
106P94.1Very high93.8Very high1 Ų139.5 Ų39.51%0.00619%0.194CC..Hα-helixtrans-55.8-44.4-177.2-15.722.9000112.9I89 L92 R93 E96 L102 A108 I109 L110I89-P106 HydrophobicContact CD1-CB 4.5Å; I89-P106 HydrophobicContact CG2-CB 4.4Å; L92-P106 HydrophobicContact CB-CB 4.17Å; L92-P106 HydrophobicContact CB-CG 3.75Å; R93-P106 HydrophobicContact CG-CB 4.05Å; R93-P106 HydrophobicContact CG-CG 4.09Å; E96-P106 HydrophobicContact CB-CG 4.49Å; E96-P106 WeakPolarHBondContact OE1-CD 3.3Å; L102-P106 HydrophobicContact CD2-CG 4.3Å; P106-A108 PolarHBondContact O-N 2.86Å; P106-I109 PolarHBondContact O-N 3.02Å; P106-L110 WeakPolarHBondContact O-CG 3.38Å; P106-L110 PolarHBondContact O-N 3.25Å
107Q94.2Very high93.7Very high86 Ų8640.4 Ų40.440%0.40220%0.195SC..Hα-helixtrans-62.7-41.1-179.6-170.761.24800112.4R105 I109 L110 N111R105-Q107 VanDerWaalsContact C-N 3.32Å; R105-Q107 PolarHBondContact O-N 2.9Å; Q107-I109 VanDerWaalsContact C-N 3.31Å; Q107-I109 PolarHBondContact O-N 3.33Å; Q107-L110 PolarHBondContact O-N 2.88Å; Q107-N111 PolarHBondContact NE2-OD1 3.37Å; Q107-N111 VanDerWaalsContact O-CG 3.22Å; Q107-N111 PolarHBondContact O-N 3.29Å; Q107-N111 PolarHBondContact O-OD1 2.95Å; Q107-N111 VanDerWaalsContact O-OD1 3.1Å
108A94.4Very high93.7Very high0 Ų033.2 Ų33.20%016%0.164CC..Hα-helixtrans-66.6-36179.400000111.9N104 R105 P106 C112 L256 G257 M258N104-A108 HydrophobicContact CB-CB 4.37Å; R105-A108 HydrophobicContact CG-CB 3.61Å; R105-A108 PolarHBondContact O-N 2.95Å; R105-A108 VanDerWaalsContact O-N 3.15Å; P106-A108 PolarHBondContact O-N 2.86Å; A108-C112 PolarHBondContact O-SG 3.45Å; A108-L256 WeakPolarHBondContact CA-O 3.44Å; A108-L256 VanDerWaalsContact CB-O 3.29Å; A108-L256 WeakPolarHBondContact CB-O 3.32Å; A108-G257 WeakPolarHBondContact CB-O 3.36Å; A108-M258 HydrophobicContact CB-CG 4.06Å
109I93.3Very high93.7Very high4 Ų432.3 Ų32.32%0.02116%0.159CC..Hα-helixtrans-64.1-50.2172.4-65.5165.3000109.7V76 V78 V83 I89 L92 N104 R105 P106 Q107 N111 C112 V113 A280V76-I109 HydrophobicContact CG1-CD1 3.9Å; V78-I109 HydrophobicContact CG2-CD1 3.98Å; V78-I109 HydrophobicContact CG2-CG2 4Å; V83-I109 HydrophobicContact CG2-CG2 4.11Å; I89-I109 HydrophobicContact CD1-CG2 4.43Å; L92-I109 HydrophobicContact CD1-CD1 3.63Å; N104-I109 HydrophobicContact CB-CD1 4.28Å; N104-I109 HydrophobicContact CB-CG1 3.85Å; R105-I109 PolarHBondContact O-N 3.32Å; R105-I109 VanDerWaalsContact O-N 3.14Å; P106-I109 PolarHBondContact O-N 3.02Å; Q107-I109 VanDerWaalsContact C-N 3.31Å; Q107-I109 PolarHBondContact O-N 3.33Å; I109-N111 VanDerWaalsContact C-N 3.31Å; I109-N111 PolarHBondContact O-N 3.02Å; I109-C112 PolarHBondContact O-N 2.98Å; I109-V113 HydrophobicContact CG2-CG2 4.41Å; I109-V113 WeakPolarHBondContact O-CG2 3.31Å; I109-V113 PolarHBondContact O-N 3.47Å; I109-A280 HydrophobicContact CG1-CB 4.25Å
110L91.9Very high93.8Very high30 Ų3034.4 Ų34.416%0.15715%0.151CC..Hα-helixtrans-56.5-42.7179.4-75170.7000112.3I89 P106 Q107 C112 V113I89-L110 HydrophobicContact CD1-CD2 4.09Å; I89-L110 HydrophobicContact CD1-CG 4Å; I89-L110 HydrophobicContact CG1-CD2 4.04Å; I89-L110 HydrophobicContact CG1-CG 4.39Å; I89-L110 HydrophobicContact CG2-CD1 4.28Å; P106-L110 WeakPolarHBondContact O-CG 3.38Å; P106-L110 PolarHBondContact O-N 3.25Å; Q107-L110 PolarHBondContact O-N 2.88Å; L110-C112 PolarHBondContact O-N 3.46Å; L110-V113 PolarHBondContact O-N 2.85Å; L110-V113 VanDerWaalsContact O-N 3.1Å
111N92.7Very high93.9Very high7 Ų738 Ų384%0.03717%0.167CC..Hα-helixtrans-58-19.9176.4-71.38.5000113.1Q107 I109 T118 E121 L256Q107-N111 PolarHBondContact NE2-OD1 3.37Å; Q107-N111 VanDerWaalsContact O-CG 3.22Å; Q107-N111 PolarHBondContact O-N 3.29Å; Q107-N111 PolarHBondContact O-OD1 2.95Å; Q107-N111 VanDerWaalsContact O-OD1 3.1Å; I109-N111 VanDerWaalsContact C-N 3.31Å; I109-N111 PolarHBondContact O-N 3.02Å; N111-T118 VanDerWaalsContact O-CA 3.31Å; N111-T118 WeakPolarHBondContact O-CA 3.24Å; N111-T118 PolarHBondContact O-N 3.1Å; N111-T118 PolarHBondContact O-OG1 3.48Å; N111-E121 HydrophobicContact CB-CG 4.26Å; N111-E121 PolarHBondContact ND2-OE2 2.7Å; N111-E121 VanDerWaalsContact ND2-OE2 3.09Å; N111-L256 HydrophobicContact CB-CD2 4.13Å
112C90Very high94Very high11 Ų1132.4 Ų32.47%0.07415%0.147CC..Hα-helixtrans-107.6-6.5179.7-58.80000114.5T80 A108 I109 L110 N114 M258 A280T80-C112 HydrophobicContact CG2-CB 4.35Å; A108-C112 PolarHBondContact O-SG 3.45Å; I109-C112 PolarHBondContact O-N 2.98Å; L110-C112 PolarHBondContact O-N 3.46Å; C112-N114 VanDerWaalsContact C-N 3.3Å; C112-M258 PolarHBondContact SG-SD 2.71Å; C112-A280 HydrophobicContact CB-CB 4.07Å
113V88.3Confident93.9Very high11 Ų1135.1 Ų35.17%0.06717%0.169CC..Hα-helixtrans-68.4-34.5179173.70000111T80 V83 I109 L110T80-V113 HydrophobicContact CG2-CG2 4.26Å; V83-V113 HydrophobicContact CB-CG2 4.28Å; I109-V113 HydrophobicContact CG2-CG2 4.41Å; I109-V113 WeakPolarHBondContact O-CG2 3.31Å; I109-V113 PolarHBondContact O-N 3.47Å; L110-V113 PolarHBondContact O-N 2.85Å; L110-V113 VanDerWaalsContact O-N 3.1Å
114N89Confident93.9Very high12 Ų1236.8 Ų36.86%0.06420%0.2CC..SBendtrans-119.7121.9179.5179.3-32.6000109.4C112 F116 W117 T118 T160 R161C112-N114 VanDerWaalsContact C-N 3.3Å; N114-F116 PolarHBondContact O-N 3.15Å; N114-F116 WeakPolarHBondContact OD1-CA 3.27Å; N114-F116 WeakPolarHBondContact OD1-CB 3.24Å; N114-F116 PolarHBondContact OD1-N 3.1Å; N114-W117 HydrophobicContact CB-CB 4.02Å; N114-W117 HydrophobicContact CB-CD2 3.41Å; N114-W117 VanDerWaalsContact CB-CD2 3.41Å; N114-W117 HydrophobicContact CB-CE3 3.6Å; N114-W117 HydrophobicContact CB-CG 3.58Å; N114-W117 HydrophobicContact CB-CZ3 4.29Å; N114-W117 PolarHBondContact ND2-NE1 2.93Å; N114-W117 WeakPolarHBondContact O-CB 3.46Å; N114-W117 PolarHBondContact O-N 3.36Å; N114-W117 VanDerWaalsContact O-N 3.08Å; N114-W117 PolarHBondContact OD1-N 3.08Å; N114-T118 PolarHBondContact O-N 3.29Å; N114-T118 PolarHBondContact O-OG1 3.08Å; N114-T160 WeakPolarHBondContact OD1-CB 3.35Å; N114-R161 HydrophobicContact CB-CG 4.39Å
115K91.2Very high94Very high16 Ų1641.9 Ų41.97%0.0722%0.223CC..Hα-helixtrans-58.4-35-178.4-65179.4-171.769.30113.3T118 F119 K158 N159 T160 G162 L191 E277K115-T118 WeakPolarHBondContact O-CB 3.29Å; K115-T118 PolarHBondContact O-N 3.04Å; K115-F119 WeakPolarHBondContact O-CG 3.28Å; K115-F119 PolarHBondContact O-N 3.39Å; K115-F119 VanDerWaalsContact O-N 3.15Å; K115-K158 HydrophobicContact CD-CD 4.4Å; K115-N159 PolarHBondContact NZ-O 2.83Å; K115-N159 VanDerWaalsContact NZ-O 3.17Å; K115-T160 PolarHBondContact N-O 3.04Å; K115-T160 VanDerWaalsContact N-O 3.08Å; K115-G162 PolarHBondContact NZ-O 2.88Å; K115-L191 HydrophobicContact CB-CD2 3.8Å; K115-E277 WeakPolarHBondContact CE-OE2 3.35Å; K115-E277 HydrophobicContact CG-CG 4.48Å
116F93.1Very high94.1Very high48 Ų4840.3 Ų40.321%0.21124%0.239CC..Hα-helixtrans-72.3-37.9178.3-161.8-100.1000111.3N114 T118 F119 Q120 T132 T160 L191N114-F116 PolarHBondContact O-N 3.15Å; N114-F116 WeakPolarHBondContact OD1-CA 3.27Å; N114-F116 WeakPolarHBondContact OD1-CB 3.24Å; N114-F116 PolarHBondContact OD1-N 3.1Å; F116-T118 VanDerWaalsContact C-N 3.29Å; F116-T118 PolarHBondContact O-N 3.43Å; F116-F119 PolarHBondContact O-N 3.35Å; F116-F119 VanDerWaalsContact O-N 3.1Å; F116-Q120 HydrophobicContact CD1-CG 3.99Å; F116-Q120 HydrophobicContact CE1-CG 3.94Å; F116-Q120 WeakPolarHBondContact O-CG 3.47Å; F116-Q120 PolarHBondContact O-N 3.03Å; F116-T132 HydrophobicContact CD2-CG2 3.98Å; F116-T132 HydrophobicContact CE2-CG2 4.07Å; F116-T160 HydrophobicContact CB-CG2 4.44Å; F116-L191 HydrophobicContact CB-CD2 4.44Å
117W93.7Very high94.3Very high92 Ų9240.9 Ų40.935%0.34824%0.242SC..Hα-helixtrans-60.5-41.2171.9-61-11.6000111.1N114 F119 Q120 E121N114-W117 HydrophobicContact CB-CB 4.02Å; N114-W117 HydrophobicContact CB-CD2 3.41Å; N114-W117 VanDerWaalsContact CB-CD2 3.41Å; N114-W117 HydrophobicContact CB-CE3 3.6Å; N114-W117 HydrophobicContact CB-CG 3.58Å; N114-W117 HydrophobicContact CB-CZ3 4.29Å; N114-W117 PolarHBondContact ND2-NE1 2.93Å; N114-W117 WeakPolarHBondContact O-CB 3.46Å; N114-W117 PolarHBondContact O-N 3.36Å; N114-W117 VanDerWaalsContact O-N 3.08Å; N114-W117 PolarHBondContact OD1-N 3.08Å; W117-F119 VanDerWaalsContact C-N 3.29Å; W117-F119 PolarHBondContact O-N 3.35Å; W117-Q120 VanDerWaalsContact CD1-OE1 3.3Å; W117-Q120 WeakPolarHBondContact O-CB 3.14Å; W117-Q120 PolarHBondContact O-N 3.13Å; W117-Q120 VanDerWaalsContact O-N 3.15Å; W117-E121 WeakPolarHBondContact O-CG 3.27Å; W117-E121 PolarHBondContact O-N 3.28Å
118T95.5Very high94.4Very high2 Ų239.1 Ų39.11%0.01224%0.238CC..Hα-helixtrans-55.2-46.6172.6-51.10000111.4N111 N114 K115 F116 E121 L122 L256 A278N111-T118 VanDerWaalsContact O-CA 3.31Å; N111-T118 WeakPolarHBondContact O-CA 3.24Å; N111-T118 PolarHBondContact O-N 3.1Å; N111-T118 PolarHBondContact O-OG1 3.48Å; N114-T118 PolarHBondContact O-N 3.29Å; N114-T118 PolarHBondContact O-OG1 3.08Å; K115-T118 WeakPolarHBondContact O-CB 3.29Å; K115-T118 PolarHBondContact O-N 3.04Å; F116-T118 VanDerWaalsContact C-N 3.29Å; F116-T118 PolarHBondContact O-N 3.43Å; T118-E121 PolarHBondContact O-N 3.15Å; T118-L122 HydrophobicContact CG2-CD1 3.96Å; T118-L122 VanDerWaalsContact O-CG 3.24Å; T118-L122 WeakPolarHBondContact O-CG 3.48Å; T118-L122 PolarHBondContact O-N 3.24Å; T118-L122 VanDerWaalsContact O-N 3.12Å; T118-L256 HydrophobicContact CG2-CD1 3.78Å; T118-L256 HydrophobicContact CG2-CD2 4.13Å; T118-A278 HydrophobicContact CG2-CB 3.79Å
119F96.7Very high94.6Very high13 Ų1341.2 Ų41.26%0.05725%0.249CC..Hα-helixtrans-68.8-33178.7-62-24.3000113.3K115 F116 W117 E121 L122 A123 L129 T132 L191 Q193 C276K115-F119 WeakPolarHBondContact O-CG 3.28Å; K115-F119 PolarHBondContact O-N 3.39Å; K115-F119 VanDerWaalsContact O-N 3.15Å; F116-F119 PolarHBondContact O-N 3.35Å; F116-F119 VanDerWaalsContact O-N 3.1Å; W117-F119 VanDerWaalsContact C-N 3.29Å; W117-F119 PolarHBondContact O-N 3.35Å; F119-E121 VanDerWaalsContact C-N 3.34Å; F119-L122 PolarHBondContact O-N 3.42Å; F119-A123 WeakPolarHBondContact O-CB 3.28Å; F119-A123 PolarHBondContact O-N 3.21Å; F119-L129 HydrophobicContact CB-CD1 4.24Å; F119-L129 HydrophobicContact CD1-CD1 4.32Å; F119-L129 HydrophobicContact CD1-CD2 3.77Å; F119-L129 HydrophobicContact CE1-CD2 4.01Å; F119-L129 HydrophobicContact CG-CD1 4.48Å; F119-T132 HydrophobicContact CD2-CG2 3.85Å; F119-T132 HydrophobicContact CE2-CG2 3.96Å; F119-L191 HydrophobicContact CE2-CD2 4.42Å; F119-Q193 VanDerWaalsContact CZ-NE2 3.32Å; F119-C276 VanDerWaalsContact CZ-O 3.32Å; F119-C276 WeakPolarHBondContact CZ-O 3.42Å
120Q96.4Very high94.7Very high108 Ų10841.5 Ų41.551%0.50525%0.251SS..Hα-helixtrans-61.8-42.8173.3-71.8176.5-60.300111.5F116 W117 L122F116-Q120 HydrophobicContact CD1-CG 3.99Å; F116-Q120 HydrophobicContact CE1-CG 3.94Å; F116-Q120 WeakPolarHBondContact O-CG 3.47Å; F116-Q120 PolarHBondContact O-N 3.03Å; W117-Q120 VanDerWaalsContact CD1-OE1 3.3Å; W117-Q120 WeakPolarHBondContact O-CB 3.14Å; W117-Q120 PolarHBondContact O-N 3.13Å; W117-Q120 VanDerWaalsContact O-N 3.15Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 3.01Å
121E97.8Very high94.9Very high81 Ų8144.4 Ų44.438%0.37927%0.267SS..Hα-helixtrans-68.3-30.4177-61.9-70.2126.600112.6N111 W117 T118 F119 H125 I255 L256N111-E121 HydrophobicContact CB-CG 4.26Å; N111-E121 PolarHBondContact ND2-OE2 2.7Å; N111-E121 VanDerWaalsContact ND2-OE2 3.09Å; W117-E121 WeakPolarHBondContact O-CG 3.27Å; W117-E121 PolarHBondContact O-N 3.28Å; T118-E121 PolarHBondContact O-N 3.15Å; F119-E121 VanDerWaalsContact C-N 3.34Å; E121-H125 PolarHBondContact O-CD2 3.2Å; E121-H125 VanDerWaalsContact O-CD2 3.28Å; E121-I255 WeakPolarHBondContact O-CG2 3.22Å; E121-L256 HydrophobicContact CB-CD2 3.67Å; E121-L256 HydrophobicContact CG-CD2 4.27Å
122L98.1Very high95.1Very high0 Ų045.5 Ų45.50%027%0.274CS..Hα-helixtrans-85.7-23.6180-65173.3000113.4T118 F119 Q120 H125 V127 L129 V252 I255 L256 V275T118-L122 HydrophobicContact CG2-CD1 3.96Å; T118-L122 VanDerWaalsContact O-CG 3.24Å; T118-L122 WeakPolarHBondContact O-CG 3.48Å; T118-L122 PolarHBondContact O-N 3.24Å; T118-L122 VanDerWaalsContact O-N 3.12Å; F119-L122 PolarHBondContact O-N 3.42Å; Q120-L122 VanDerWaalsContact C-N 3.32Å; Q120-L122 PolarHBondContact O-N 3.01Å; L122-H125 PolarHBondContact O-N 3.33Å; L122-V127 HydrophobicContact CB-CB 4.3Å; L122-V127 HydrophobicContact CB-CG1 4.32Å; L122-V127 HydrophobicContact CD1-CG1 4.34Å; L122-V127 HydrophobicContact CD2-CG1 4.49Å; L122-V127 HydrophobicContact CD2-CG2 4.2Å; L122-L129 HydrophobicContact CB-CD1 4.05Å; L122-L129 HydrophobicContact CD1-CD2 4.11Å; L122-V252 HydrophobicContact CD1-CG1 4.22Å; L122-V252 HydrophobicContact CD2-CB 4.29Å; L122-V252 HydrophobicContact CD2-CG1 4.01Å; L122-V252 HydrophobicContact CD2-CG2 4.16Å; L122-I255 HydrophobicContact CD2-CB 4.05Å; L122-I255 HydrophobicContact CD2-CD1 4.04Å; L122-I255 HydrophobicContact CD2-CG2 3.92Å; L122-L256 HydrophobicContact CD2-CD1 4.37Å; L122-L256 HydrophobicContact CD2-CD2 4.37Å; L122-L256 HydrophobicContact CD2-CG 4.12Å; L122-L256 HydrophobicContact CG-CD2 4.4Å; L122-V275 HydrophobicContact CD1-CG1 4.24Å
123A96.1Very high95.2Very high59 Ų5948.2 Ų48.249%0.48829%0.285SS..THydrogen-bonded Turntrans-61.1140.3-179.500000111.1F119 H125F119-A123 WeakPolarHBondContact O-CB 3.28Å; F119-A123 PolarHBondContact O-N 3.21Å; A123-H125 PolarHBondContact O-N 2.96Å
124G95.2Very high95.2Very high87 Ų8749.4 Ų49.490%0.89729%0.294SS*.THydrogen-bonded Turntrans80.5-9.1-178.200000115.4
125H97.4Very high94.9Very high109 Ų10950.7 Ų50.751%0.50530%0.298SS..THydrogen-bonded Turntrans-93.411.6178.2-71.6-79.6000114.6E121 L122 A123 V127 Q251 I255E121-H125 PolarHBondContact O-CD2 3.2Å; E121-H125 VanDerWaalsContact O-CD2 3.28Å; L122-H125 PolarHBondContact O-N 3.33Å; A123-H125 PolarHBondContact O-N 2.96Å; H125-V127 HydrophobicContact CB-CG2 4.29Å; H125-V127 PolarHBondContact O-N 2.97Å; H125-Q251 PolarHBondContact O-NE2 2.85Å; H125-I255 HydrophobicContact CB-CD1 3.51Å; H125-I255 HydrophobicContact CB-CG1 4.33Å
126G96.8Very high93.9Very high69 Ų6954.2 Ų54.271%0.71134%0.338SS*.THydrogen-bonded Turntrans70.815.4-177.400000114.3
127V98.1Very high92.6Very high14 Ų1454 Ų549%0.08535%0.351CS..  trans-77.5123.9176176.20000109.2L122 H125 L129 L248 Q251 V252 I255 V275L122-V127 HydrophobicContact CB-CB 4.3Å; L122-V127 HydrophobicContact CB-CG1 4.32Å; L122-V127 HydrophobicContact CD1-CG1 4.34Å; L122-V127 HydrophobicContact CD2-CG1 4.49Å; L122-V127 HydrophobicContact CD2-CG2 4.2Å; H125-V127 HydrophobicContact CB-CG2 4.29Å; H125-V127 PolarHBondContact O-N 2.97Å; V127-L129 HydrophobicContact CG1-CD2 4.02Å; V127-L129 HydrophobicContact CG1-CG 4.3Å; V127-L129 PolarHBondContact O-N 3.46Å; V127-L248 HydrophobicContact CG1-CD1 4.12Å; V127-Q251 HydrophobicContact CG2-CG 4.42Å; V127-V252 HydrophobicContact CG1-CG2 3.98Å; V127-V252 HydrophobicContact CG2-CG2 4.49Å; V127-I255 HydrophobicContact CG2-CD1 3.61Å; V127-V275 HydrophobicContact CG1-CB 4.33Å; V127-V275 HydrophobicContact CG1-CG2 3.57Å
128P97.7Very high91.3Very high49 Ų4951.9 Ų51.932%0.31834%0.344SS..  trans-68.111717625.9-33.9000110.8L248 F273 C274 V275P128-L248 HydrophobicContact CG-CD1 4.04Å; P128-L248 HydrophobicContact CG-CD2 3.94Å; P128-F273 WeakPolarHBondContact CB-O 3.47Å; P128-F273 WeakPolarHBondContact CG-O 3.16Å; P128-C274 HydrophobicContact CB-CB 4.12Å; P128-C274 CarbonylContact O-C 3.54Å; P128-C274 VanDerWaalsContact O-CA 3.24Å; P128-C274 WeakPolarHBondContact O-CA 3.19Å; P128-C274 VanDerWaalsContact O-CB 3.27Å; P128-C274 WeakPolarHBondContact O-CB 3.49Å; P128-V275 PolarHBondContact O-N 2.97Å
129L97.2Very high90Very high43 Ų4361.5 Ų61.523%0.22539%0.389CS..  trans-123.1145.4177.4-59.5173000109.1F119 L122 V127 V275F119-L129 HydrophobicContact CB-CD1 4.24Å; F119-L129 HydrophobicContact CD1-CD1 4.32Å; F119-L129 HydrophobicContact CD1-CD2 3.77Å; F119-L129 HydrophobicContact CE1-CD2 4.01Å; F119-L129 HydrophobicContact CG-CD1 4.48Å; L122-L129 HydrophobicContact CB-CD1 4.05Å; L122-L129 HydrophobicContact CD1-CD2 4.11Å; V127-L129 HydrophobicContact CG1-CD2 4.02Å; V127-L129 HydrophobicContact CG1-CG 4.3Å; V127-L129 PolarHBondContact O-N 3.46Å; L129-V275 HydrophobicContact CD2-CB 3.82Å
130P96.3Very high89Confident11 Ų1165.3 Ų65.37%0.07141%0.41CS..  trans-66.2142.4163.6-10.625.2000110T132 Q193 K194 V196 L266 V275P130-T132 PolarHBondContact O-N 3.24Å; P130-T132 PolarHBondContact O-OG1 2.87Å; P130-Q193 HydrophobicContact CB-CG 3.68Å; P130-Q193 HydrophobicContact CG-CG 4.24Å; P130-K194 HydrophobicContact CB-CB 4.34Å; P130-V196 HydrophobicContact CB-CG2 4.25Å; P130-V196 HydrophobicContact CG-CG2 4.03Å; P130-L266 HydrophobicContact CG-CD1 4.32Å; P130-V275 WeakPolarHBondContact CD-O 3.5Å
131D96.4Very high88.1Confident91 Ų9160.8 Ų60.849%0.48739%0.389SS..  trans-53.1128.2175.4-59-38.5000109.6L151 Q193 K194D131-L151 HydrophobicContact CB-CD2 3.5Å; D131-L151 WeakPolarHBondContact O-CD2 3.28Å; D131-Q193 CarbonylContact O-C 3.49Å; D131-Q193 WeakPolarHBondContact O-CA 3.2Å; D131-K194 HydrophobicContact CB-CB 4.15Å; D131-K194 PolarHBondContact O-N 2.78Å
132T95.4Very high87.2Confident29 Ų2959.7 Ų59.718%0.17839%0.394CS..EExtended strand (participates in β ladder)trans-138.6130-169.3-56.10000110.9F116 F119 P130 L191 F192 Q193F116-T132 HydrophobicContact CD2-CG2 3.98Å; F116-T132 HydrophobicContact CE2-CG2 4.07Å; F119-T132 HydrophobicContact CD2-CG2 3.85Å; F119-T132 HydrophobicContact CE2-CG2 3.96Å; P130-T132 PolarHBondContact O-N 3.24Å; P130-T132 PolarHBondContact O-OG1 2.87Å; T132-L191 HydrophobicContact CG2-CB 4.07Å; T132-L191 HydrophobicContact CG2-CD1 3.96Å; T132-L191 HydrophobicContact CG2-CD2 4.18Å; T132-L191 HydrophobicContact CG2-CG 4.3Å; T132-F192 CarbonylContact C-O 3.54Å; T132-F192 WeakPolarHBondContact CA-O 3.41Å; T132-Q193 HydrophobicContact CG2-CB 4.35Å; T132-Q193 WeakPolarHBondContact OG1-CG 3.47Å; T132-Q193 PolarHBondContact OG1-NE2 2.86Å
133F92.5Very high86.4Confident69 Ų6965.1 Ų65.130%0.30342%0.417SS..EExtended strand (participates in β ladder)trans-116.6136.9-178.7-72.7-123.6000108.4Y135 L151 L191 F192F133-Y135 HydrophobicContact CB-CE2 4.37Å; F133-L151 HydrophobicContact CB-CD1 4.36Å; F133-L151 HydrophobicContact CD2-CD1 3.72Å; F133-L151 HydrophobicContact CD2-CD2 3.55Å; F133-L151 HydrophobicContact CD2-CG 3.66Å; F133-L151 HydrophobicContact CE2-CD1 4.35Å; F133-L151 HydrophobicContact CE2-CD2 3.46Å; F133-L151 VanDerWaalsContact CE2-CD2 3.46Å; F133-L151 HydrophobicContact CE2-CG 3.78Å; F133-L151 HydrophobicContact CG-CD1 4.22Å; F133-L151 HydrophobicContact CG-CG 4.44Å; F133-L191 CarbonylContact O-C 3.59Å; F133-L191 WeakPolarHBondContact O-CA 3.33Å; F133-L191 WeakPolarHBondContact O-CB 3.29Å; F133-F192 HydrophobicContact CB-CB 4.46Å; F133-F192 PolarHBondContact N-O 3.46Å; F133-F192 PolarHBondContact O-N 3.26Å
134S88.8Confident85.8Confident36 Ų3662.8 Ų62.825%0.25240%0.396SS..EExtended strand (participates in β ladder)trans-142.6149.5172.3-175.60000108Y190S134-Y190 PolarHBondContact OG-O 2.83Å
135Y82.2Confident85.2Confident38 Ų3859 Ų5915%0.14936%0.356CS..  trans-119.1142.7-173.6-57.5-95.5000110.5F133 G137 M144 E147 A148 F192F133-Y135 HydrophobicContact CB-CE2 4.37Å; Y135-G137 VanDerWaalsContact C-N 3.33Å; Y135-M144 HydrophobicContact CD1-CB 4.17Å; Y135-M144 HydrophobicContact CD1-CG 3.67Å; Y135-M144 HydrophobicContact CD2-CB 3.78Å; Y135-M144 HydrophobicContact CD2-CE 3.4Å; Y135-M144 VanDerWaalsContact CD2-CE 3.4Å; Y135-M144 HydrophobicContact CD2-CG 3.73Å; Y135-M144 HydrophobicContact CD2-SD 4.19Å; Y135-M144 HydrophobicContact CE1-CB 4.09Å; Y135-M144 HydrophobicContact CE1-CG 4.07Å; Y135-M144 HydrophobicContact CE2-CB 3.64Å; Y135-M144 HydrophobicContact CE2-CE 4.21Å; Y135-M144 HydrophobicContact CE2-CG 4.08Å; Y135-M144 HydrophobicContact CG-CB 4.02Å; Y135-M144 HydrophobicContact CG-CE 3.77Å; Y135-M144 HydrophobicContact CG-CG 3.47Å; Y135-M144 VanDerWaalsContact CG-CG 3.47Å; Y135-M144 HydrophobicContact CG-SD 4.01Å; Y135-M144 PolarHBondContact OH-O 2.86Å; Y135-E147 HydrophobicContact CE1-CB 4.08Å; Y135-E147 WeakPolarHBondContact CE1-OE2 2.98Å; Y135-E147 VanDerWaalsContact OH-CB 3.27Å; Y135-E147 WeakPolarHBondContact OH-CB 3.39Å; Y135-A148 PolarHBondContact OH-N 3.33Å; Y135-F192 HydrophobicContact CD2-CD2 4.16Å; Y135-F192 AromaticContact CD2-CE2 3.9Å; Y135-F192 HydrophobicContact CD2-CE2 3.9Å; Y135-F192 AromaticContact CE2-CD2 3.63Å; Y135-F192 HydrophobicContact CE2-CD2 3.63Å; Y135-F192 AromaticContact CE2-CE2 3.57Å; Y135-F192 HydrophobicContact CE2-CE2 3.57Å
136G70.4Confident84.7Confident90 Ų9057.8 Ų57.893%0.92835%0.353SS*.SBendtrans-78-14.4-176.500000114.7
137G66.6Low84.2Confident45 Ų4558.8 Ų58.846%0.46434%0.339SS..  trans-142.2156.4177.800000111.3Y135Y135-G137 VanDerWaalsContact C-N 3.33Å
138H66Low83.7Confident46 Ų4658.1 Ų58.121%0.21334%0.335CS..  trans-1211.1-165.9-54.860.4000113.3N140 H186 A188 P189H138-N140 VanDerWaalsContact C-N 3.25Å; H138-N140 PolarHBondContact O-N 2.82Å; H138-H186 WeakPolarHBondContact CB-O 3.37Å; H138-H186 PolarHBondContact CD2-O 3.31Å; H138-A188 PolarHBondContact CD2-O 3.21Å; H138-A188 VanDerWaalsContact NE2-C 3.31Å; H138-A188 PolarHBondContact NE2-O 3.04Å; H138-A188 VanDerWaalsContact NE2-O 3.09Å; H138-P189 WeakPolarHBondContact NE2-CA 3.48Å
139E67.6Low83.2Confident204 Ų20459.4 Ų59.495%0.95334%0.337SS*.THydrogen-bonded Turntrans-68.3-25.5-176.2-62.6-174162.400112.6
140N76.8Confident82.9Confident93 Ų9362.9 Ų62.950%0.49736%0.359SS..THydrogen-bonded Turntrans-125.869.8179.6-166.3-13.4000111.8H138 A142 K143 M144H138-N140 VanDerWaalsContact C-N 3.25Å; H138-N140 PolarHBondContact O-N 2.82Å; N140-A142 PolarHBondContact O-N 3.16Å; N140-K143 HydrophobicContact CB-CB 4.29Å; N140-K143 PolarHBondContact O-N 3.08Å; N140-K143 PolarHBondContact OD1-N 2.88Å; N140-K143 VanDerWaalsContact OD1-N 3.09Å; N140-M144 PolarHBondContact O-N 3.43Å
141F75.9Confident82.8Confident13 Ų1362.8 Ų62.86%0.05736%0.358CS..Hα-helixtrans-60.9-30.5178.7-162.3-91.9000113K143 M144 I145 I184 F192F141-K143 PolarHBondContact O-N 3.43Å; F141-M144 HydrophobicContact CD2-CE 3.76Å; F141-M144 HydrophobicContact CD2-SD 3.95Å; F141-M144 HydrophobicContact CE2-CE 3.83Å; F141-M144 WeakPolarHBondContact O-CB 3.12Å; F141-M144 PolarHBondContact O-N 3.29Å; F141-M144 VanDerWaalsContact O-N 3.16Å; F141-I145 HydrophobicContact CD1-CD1 3.71Å; F141-I145 HydrophobicContact CD1-CG1 3.86Å; F141-I145 HydrophobicContact CE1-CD1 3.74Å; F141-I145 HydrophobicContact CE1-CG1 3.73Å; F141-I145 WeakPolarHBondContact O-CG1 3.34Å; F141-I145 PolarHBondContact O-N 3.31Å; F141-I184 HydrophobicContact CD2-CD1 3.94Å; F141-I184 HydrophobicContact CE1-CD1 3.94Å; F141-I184 HydrophobicContact CE2-CD1 3.2Å; F141-I184 HydrophobicContact CZ-CD1 3.19Å; F141-F192 HydrophobicContact CE1-CZ 4.26Å; F141-F192 AromaticContact CE2-CZ 3.9Å; F141-F192 HydrophobicContact CE2-CZ 3.9Å; F141-F192 HydrophobicContact CZ-CE1 4.14Å; F141-F192 AromaticContact CZ-CZ 3.54Å; F141-F192 HydrophobicContact CZ-CZ 3.54Å
142A79.6Confident82.7Confident59 Ų5964.9 Ų64.949%0.48837%0.365SS..Hα-helixtrans-61.1-45.2176.400000111.9N140 M144 I145 D146N140-A142 PolarHBondContact O-N 3.16Å; A142-M144 VanDerWaalsContact C-N 3.28Å; A142-M144 PolarHBondContact O-N 3.05Å; A142-I145 WeakPolarHBondContact O-CB 3.01Å; A142-I145 PolarHBondContact O-N 3.22Å; A142-I145 VanDerWaalsContact O-N 3.1Å; A142-D146 PolarHBondContact O-N 2.59Å; A142-D146 VanDerWaalsContact O-N 3.08Å
143K82.6Confident82.6Confident114 Ų11466.6 Ų66.650%0.49637%0.37SS..Hα-helixtrans-61.5-37.2174.2-177.8175.7173179.20112.3N140 F141 I145 D146 E147N140-K143 HydrophobicContact CB-CB 4.29Å; N140-K143 PolarHBondContact O-N 3.08Å; N140-K143 PolarHBondContact OD1-N 2.88Å; N140-K143 VanDerWaalsContact OD1-N 3.09Å; F141-K143 PolarHBondContact O-N 3.43Å; K143-I145 VanDerWaalsContact C-N 3.29Å; K143-I145 PolarHBondContact O-N 3.31Å; K143-D146 PolarHBondContact O-N 2.9Å; K143-E147 WeakPolarHBondContact CE-OE1 3.38Å; K143-E147 IonicContact NZ-OE1 2.67Å; K143-E147 PolarHBondContact O-N 2.81Å
144M82.4Confident82.8Confident9 Ų965.8 Ų65.84%0.04437%0.372CS..Hα-helixtrans-63.8-35.8175.4-60.4168.846.900112Y135 N140 F141 A142 A148 F192Y135-M144 HydrophobicContact CD1-CB 4.17Å; Y135-M144 HydrophobicContact CD1-CG 3.67Å; Y135-M144 HydrophobicContact CD2-CB 3.78Å; Y135-M144 HydrophobicContact CD2-CE 3.4Å; Y135-M144 VanDerWaalsContact CD2-CE 3.4Å; Y135-M144 HydrophobicContact CD2-CG 3.73Å; Y135-M144 HydrophobicContact CD2-SD 4.19Å; Y135-M144 HydrophobicContact CE1-CB 4.09Å; Y135-M144 HydrophobicContact CE1-CG 4.07Å; Y135-M144 HydrophobicContact CE2-CB 3.64Å; Y135-M144 HydrophobicContact CE2-CE 4.21Å; Y135-M144 HydrophobicContact CE2-CG 4.08Å; Y135-M144 HydrophobicContact CG-CB 4.02Å; Y135-M144 HydrophobicContact CG-CE 3.77Å; Y135-M144 HydrophobicContact CG-CG 3.47Å; Y135-M144 VanDerWaalsContact CG-CG 3.47Å; Y135-M144 HydrophobicContact CG-SD 4.01Å; Y135-M144 PolarHBondContact OH-O 2.86Å; N140-M144 PolarHBondContact O-N 3.43Å; F141-M144 HydrophobicContact CD2-CE 3.76Å; F141-M144 HydrophobicContact CD2-SD 3.95Å; F141-M144 HydrophobicContact CE2-CE 3.83Å; F141-M144 WeakPolarHBondContact O-CB 3.12Å; F141-M144 PolarHBondContact O-N 3.29Å; F141-M144 VanDerWaalsContact O-N 3.16Å; A142-M144 VanDerWaalsContact C-N 3.28Å; A142-M144 PolarHBondContact O-N 3.05Å; M144-A148 VanDerWaalsContact O-CB 3.22Å; M144-A148 WeakPolarHBondContact O-CB 3.48Å; M144-A148 PolarHBondContact O-N 2.9Å; M144-A148 VanDerWaalsContact O-N 3.1Å; M144-F192 HydrophobicContact CB-CE2 4.35Å; M144-F192 HydrophobicContact CB-CZ 4.5Å; M144-F192 HydrophobicContact CE-CE2 3.87Å; M144-F192 HydrophobicContact CE-CZ 4.37Å
145I82.6Confident83.1Confident9 Ų964 Ų645%0.04636%0.36CS..Hα-helixtrans-64.2-50.2174.4-69173.9000110F141 A142 K143 E147 A148 E149 K174 L177F141-I145 HydrophobicContact CD1-CD1 3.71Å; F141-I145 HydrophobicContact CD1-CG1 3.86Å; F141-I145 HydrophobicContact CE1-CD1 3.74Å; F141-I145 HydrophobicContact CE1-CG1 3.73Å; F141-I145 WeakPolarHBondContact O-CG1 3.34Å; F141-I145 PolarHBondContact O-N 3.31Å; A142-I145 WeakPolarHBondContact O-CB 3.01Å; A142-I145 PolarHBondContact O-N 3.22Å; A142-I145 VanDerWaalsContact O-N 3.1Å; K143-I145 VanDerWaalsContact C-N 3.29Å; K143-I145 PolarHBondContact O-N 3.31Å; I145-E147 PolarHBondContact O-N 2.99Å; I145-A148 PolarHBondContact O-N 2.6Å; I145-A148 VanDerWaalsContact O-N 3.13Å; I145-E149 PolarHBondContact O-N 3.41Å; I145-K174 HydrophobicContact CG2-CG 4.18Å; I145-L177 HydrophobicContact CB-CD2 4.23Å; I145-L177 HydrophobicContact CD1-CG 4.09Å; I145-L177 HydrophobicContact CG1-CD2 3.89Å; I145-L177 HydrophobicContact CG1-CG 3.88Å; I145-L177 HydrophobicContact CG2-CD2 3.82Å; I145-L177 HydrophobicContact CG2-CG 4.32Å
146D86.4Confident83.7Confident82 Ų8262.5 Ų62.544%0.43935%0.354SS..Hα-helixtrans-61.2-43.1-177.8-67.3-30.3000111.8A142 K143 A148 E149 K174A142-D146 PolarHBondContact O-N 2.59Å; A142-D146 VanDerWaalsContact O-N 3.08Å; K143-D146 PolarHBondContact O-N 2.9Å; D146-A148 VanDerWaalsContact C-N 3.31Å; D146-A148 PolarHBondContact O-N 2.99Å; D146-E149 WeakPolarHBondContact O-CB 3.34Å; D146-E149 PolarHBondContact O-N 2.89Å; D146-K174 WeakPolarHBondContact OD1-CE 3.33Å; D146-K174 IonicContact OD1-NZ 3.8Å; D146-K174 PolarHBondContact OD1-NZ 3.41Å
147E86.7Confident84.7Confident91 Ų9158.3 Ų58.343%0.42531%0.31SS..Hα-helixtrans-68.7-28.8176.7-73.3-177.3-160.700112.8Y135 K143 I145 E149Y135-E147 HydrophobicContact CE1-CB 4.08Å; Y135-E147 WeakPolarHBondContact CE1-OE2 2.98Å; Y135-E147 VanDerWaalsContact OH-CB 3.27Å; Y135-E147 WeakPolarHBondContact OH-CB 3.39Å; K143-E147 WeakPolarHBondContact CE-OE1 3.38Å; K143-E147 IonicContact NZ-OE1 2.67Å; K143-E147 PolarHBondContact O-N 2.81Å; I145-E147 PolarHBondContact O-N 2.99Å; E147-E149 VanDerWaalsContact C-N 3.29Å; E147-E149 PolarHBondContact O-N 3.46Å
148A86.7Confident85.8Confident0 Ų056.8 Ų56.80%029%0.291CS..Hα-helixtrans-77.1-11.4178.700000113.5Y135 M144 I145 D146 V150 L151 M155 F192Y135-A148 PolarHBondContact OH-N 3.33Å; M144-A148 VanDerWaalsContact O-CB 3.22Å; M144-A148 WeakPolarHBondContact O-CB 3.48Å; M144-A148 PolarHBondContact O-N 2.9Å; M144-A148 VanDerWaalsContact O-N 3.1Å; I145-A148 PolarHBondContact O-N 2.6Å; I145-A148 VanDerWaalsContact O-N 3.13Å; D146-A148 VanDerWaalsContact C-N 3.31Å; D146-A148 PolarHBondContact O-N 2.99Å; A148-V150 PolarHBondContact O-N 3.48Å; A148-V150 VanDerWaalsContact O-N 3.11Å; A148-L151 VanDerWaalsContact O-CB 3.3Å; A148-L151 WeakPolarHBondContact O-CB 3.46Å; A148-L151 PolarHBondContact O-N 2.89Å; A148-M155 HydrophobicContact CB-SD 4.28Å; A148-M155 VanDerWaalsContact O-CE 3.31Å; A148-M155 WeakPolarHBondContact O-CE 3.48Å; A148-F192 HydrophobicContact CB-CB 4.12Å; A148-F192 HydrophobicContact CB-CD1 4.09Å; A148-F192 HydrophobicContact CB-CD2 4.37Å; A148-F192 HydrophobicContact CB-CG 3.95Å
149E87.8Confident86.8Confident76 Ų7655.8 Ų55.836%0.35529%0.287SS..G310 helixtrans-59.1-24.6179.9-68.7-169.3167.100113.4I145 D146 E147 L151 E152 F153 K174I145-E149 PolarHBondContact O-N 3.41Å; D146-E149 WeakPolarHBondContact O-CB 3.34Å; D146-E149 PolarHBondContact O-N 2.89Å; E147-E149 VanDerWaalsContact C-N 3.29Å; E147-E149 PolarHBondContact O-N 3.46Å; E149-L151 PolarHBondContact O-N 2.78Å; E149-L151 VanDerWaalsContact O-N 3.16Å; E149-E152 WeakPolarHBondContact O-CA 3.32Å; E149-E152 PolarHBondContact O-N 3.02Å; E149-F153 HydrophobicContact CG-CE2 4.32Å; E149-K174 WeakPolarHBondContact OE1-CD 3.44Å; E149-K174 WeakPolarHBondContact OE1-CE 3.48Å; E149-K174 IonicContact OE1-NZ 3.74Å; E149-K174 PolarHBondContact OE1-NZ 3.01Å
150V91.8Very high87.7Confident116 Ų11646 Ų4670%0.70324%0.242SC*.G310 helixtrans-60-23.1174.9-178.60000112.3A148 E152A148-V150 PolarHBondContact O-N 3.48Å; A148-V150 VanDerWaalsContact O-N 3.11Å; V150-E152 PolarHBondContact O-N 3.26Å
151L93.4Very high87.9Confident8 Ų846.9 Ų46.94%0.04224%0.238CC..G310 helixtrans-71.7-13.1174-68.6175.1000113.7D131 F133 A148 E149 M155 F192 K194D131-L151 HydrophobicContact CB-CD2 3.5Å; D131-L151 WeakPolarHBondContact O-CD2 3.28Å; F133-L151 HydrophobicContact CB-CD1 4.36Å; F133-L151 HydrophobicContact CD2-CD1 3.72Å; F133-L151 HydrophobicContact CD2-CD2 3.55Å; F133-L151 HydrophobicContact CD2-CG 3.66Å; F133-L151 HydrophobicContact CE2-CD1 4.35Å; F133-L151 HydrophobicContact CE2-CD2 3.46Å; F133-L151 VanDerWaalsContact CE2-CD2 3.46Å; F133-L151 HydrophobicContact CE2-CG 3.78Å; F133-L151 HydrophobicContact CG-CD1 4.22Å; F133-L151 HydrophobicContact CG-CG 4.44Å; A148-L151 VanDerWaalsContact O-CB 3.3Å; A148-L151 WeakPolarHBondContact O-CB 3.46Å; A148-L151 PolarHBondContact O-N 2.89Å; E149-L151 PolarHBondContact O-N 2.78Å; E149-L151 VanDerWaalsContact O-N 3.16Å; L151-M155 HydrophobicContact CB-CE 4.22Å; L151-F192 HydrophobicContact CD1-CB 3.73Å; L151-K194 HydrophobicContact CD2-CB 4.2Å
152E94.3Very high87.5Confident135 Ų13547.1 Ų47.163%0.63124%0.244SC*.  trans61.9158.1-171.4-55.3175.8160.800113.2E149 V150E149-E152 WeakPolarHBondContact O-CA 3.32Å; E149-E152 PolarHBondContact O-N 3.02Å; V150-E152 PolarHBondContact O-N 3.26Å
153F94.4Very high86.7Confident65 Ų6546.2 Ų46.229%0.28523%0.23SC..SBendtrans-97.7148174.7-69.8-82000111.2E149 M155 A171 R172 D173 K174 L177E149-F153 HydrophobicContact CG-CE2 4.32Å; F153-M155 HydrophobicContact CD1-CE 3.88Å; F153-M155 HydrophobicContact CD1-CG 4.04Å; F153-M155 HydrophobicContact CD2-CE 4.3Å; F153-M155 HydrophobicContact CE1-CE 3.55Å; F153-M155 HydrophobicContact CE1-CG 3.95Å; F153-M155 HydrophobicContact CE1-SD 3.99Å; F153-M155 HydrophobicContact CE2-CE 4Å; F153-M155 HydrophobicContact CG-CE 4.24Å; F153-M155 HydrophobicContact CZ-CE 3.61Å; F153-M155 HydrophobicContact CZ-SD 4.39Å; F153-A171 HydrophobicContact CD1-CB 4.49Å; F153-A171 HydrophobicContact CE1-CB 4.26Å; F153-R172 WeakPolarHBondContact CB-O 3.35Å; F153-D173 VanDerWaalsContact CD1-C 3.44Å; F153-D173 VanDerWaalsContact CD1-CA 3.43Å; F153-D173 VanDerWaalsContact CE1-O 3.25Å; F153-D173 WeakPolarHBondContact CE1-O 3.17Å; F153-K174 HydrophobicContact CE2-CB 4.02Å; F153-K174 VanDerWaalsContact CZ-CA 3.47Å; F153-K174 HydrophobicContact CZ-CB 4.01Å; F153-L177 HydrophobicContact CE1-CB 4.1Å; F153-L177 HydrophobicContact CE1-CD2 4.04Å; F153-L177 HydrophobicContact CZ-CB 4.46Å; F153-L177 HydrophobicContact CZ-CD2 4.06Å
154P95.3Very high85.5Confident52 Ų5247.7 Ų47.734%0.33823%0.232SC..SBendcis-73.7152.9-2.133.9-38.8000112.2L170 A171 Y195P154-L170 HydrophobicContact CB-CD1 3.91Å; P154-L170 HydrophobicContact CB-CG 4.29Å; P154-A171 CarbonylContact C-O 3.43Å; P154-A171 WeakPolarHBondContact CA-O 3.11Å; P154-A171 WeakPolarHBondContact CB-O 3.43Å; P154-Y195 HydrophobicContact CB-CD1 4.4Å; P154-Y195 HydrophobicContact CG-CD1 3.48Å; P154-Y195 VanDerWaalsContact CG-CD1 3.48Å; P154-Y195 HydrophobicContact CG-CE1 4.06Å; P154-Y195 HydrophobicContact CG-CG 4.21Å; P154-Y195 WeakPolarHBondContact O-CB 3.09Å
155M95.3Very high84.3Confident0 Ų047.8 Ų47.80%024%0.236CC..EExtended strand (participates in β ladder)trans-130.3156.8177.867.6177.666.300112.2A148 L151 F153 A171 L177 F192A148-M155 HydrophobicContact CB-SD 4.28Å; A148-M155 VanDerWaalsContact O-CE 3.31Å; A148-M155 WeakPolarHBondContact O-CE 3.48Å; L151-M155 HydrophobicContact CB-CE 4.22Å; F153-M155 HydrophobicContact CD1-CE 3.88Å; F153-M155 HydrophobicContact CD1-CG 4.04Å; F153-M155 HydrophobicContact CD2-CE 4.3Å; F153-M155 HydrophobicContact CE1-CE 3.55Å; F153-M155 HydrophobicContact CE1-CG 3.95Å; F153-M155 HydrophobicContact CE1-SD 3.99Å; F153-M155 HydrophobicContact CE2-CE 4Å; F153-M155 HydrophobicContact CG-CE 4.24Å; F153-M155 HydrophobicContact CZ-CE 3.61Å; F153-M155 HydrophobicContact CZ-SD 4.39Å; M155-A171 HydrophobicContact CG-CB 4.1Å; M155-A171 PolarHBondContact N-O 2.83Å; M155-A171 PolarHBondContact O-N 3.24Å; M155-L177 HydrophobicContact SD-CD2 3.82Å; M155-F192 HydrophobicContact SD-CB 4.42Å; M155-F192 HydrophobicContact SD-CD1 3.96Å
156V94.3Very high83.4Confident6 Ų654.1 Ų54.14%0.03626%0.263CS..EExtended strand (participates in β ladder)trans-97.5127.8-179.3-174.20000110.5K158 V168 F169 L170 F192 Q193 Y195 M226V156-K158 HydrophobicContact CG1-CD 4.16Å; V156-K158 HydrophobicContact CG1-CG 3.69Å; V156-V168 HydrophobicContact CG1-CG1 3.94Å; V156-F169 WeakPolarHBondContact CA-O 3.41Å; V156-L170 HydrophobicContact CG2-CD1 4.29Å; V156-F192 CarbonylContact O-C 3.5Å; V156-F192 WeakPolarHBondContact O-CA 3.35Å; V156-Q193 HydrophobicContact CB-CB 4.38Å; V156-Q193 PolarHBondContact N-O 3.15Å; V156-Q193 PolarHBondContact O-N 3.42Å; V156-Y195 HydrophobicContact CG2-CD2 3.63Å; V156-Y195 HydrophobicContact CG2-CG 4.37Å; V156-M226 HydrophobicContact CG1-CE 3.84Å; V156-M226 HydrophobicContact CG1-SD 4.5Å; V156-M226 HydrophobicContact CG2-CE 4.13Å; V156-M226 HydrophobicContact CG2-SD 3.7Å
157V91.7Very high82.9Confident1 Ų151.8 Ų51.81%0.00626%0.255CS..EExtended strand (participates in β ladder)trans-107.4122.8174.3-173.20000108.6V168 F169 A171 L177 Y190 L191 F192V157-V168 CarbonylContact O-C 3.54Å; V157-V168 WeakPolarHBondContact O-CA 3.35Å; V157-F169 HydrophobicContact CB-CB 4.41Å; V157-F169 PolarHBondContact N-O 2.77Å; V157-F169 PolarHBondContact O-N 3.24Å; V157-A171 HydrophobicContact CG2-CB 4.34Å; V157-L177 HydrophobicContact CG2-CD1 3.52Å; V157-Y190 HydrophobicContact CG1-CD1 3.95Å; V157-L191 WeakPolarHBondContact CA-O 3.33Å; V157-F192 HydrophobicContact CG1-CE1 4.47Å; V157-F192 HydrophobicContact CG2-CD1 3.96Å; V157-F192 HydrophobicContact CG2-CE1 4.18Å
158K90Very high82.8Confident14 Ų1448.6 Ų48.66%0.06124%0.241CC..EExtended strand (participates in β ladder)trans-129137-178.3-48.8-175.4179.8167.80110.8K115 V156 T160 A167 V168 Y190 L191 C276K115-K158 HydrophobicContact CD-CD 4.4Å; V156-K158 HydrophobicContact CG1-CD 4.16Å; V156-K158 HydrophobicContact CG1-CG 3.69Å; K158-T160 PolarHBondContact O-N 2.94Å; K158-A167 WeakPolarHBondContact CA-O 3.43Å; K158-V168 HydrophobicContact CB-CG2 4.36Å; K158-V168 HydrophobicContact CG-CG1 4.15Å; K158-V168 HydrophobicContact CG-CG2 4.15Å; K158-Y190 CarbonylContact O-C 3.54Å; K158-Y190 VanDerWaalsContact O-CA 3.28Å; K158-Y190 WeakPolarHBondContact O-CA 3.27Å; K158-L191 HydrophobicContact CB-CD1 3.72Å; K158-L191 HydrophobicContact CB-CG 4.02Å; K158-L191 HydrophobicContact CD-CD1 3.99Å; K158-L191 HydrophobicContact CG-CD1 3.85Å; K158-L191 PolarHBondContact N-O 3.49Å; K158-L191 PolarHBondContact O-N 3.28Å; K158-C276 PolarHBondContact NZ-SG 3.33Å
159N88.1Confident83Confident24 Ų2451.8 Ų51.813%0.12826%0.256CS..EExtended strand (participates in β ladder)trans-65.1131.3160.7-172.9-38.4000109.2K115 R161 A167 P189 Y190K115-N159 PolarHBondContact NZ-O 2.83Å; K115-N159 VanDerWaalsContact NZ-O 3.17Å; N159-R161 VanDerWaalsContact C-N 3.33Å; N159-R161 PolarHBondContact O-N 2.87Å; N159-R161 PolarHBondContact OD1-N 2.93Å; N159-R161 PolarHBondContact OD1-O 2.64Å; N159-A167 HydrophobicContact CB-CB 3.85Å; N159-A167 PolarHBondContact N-O 3.03Å; N159-P189 PolarHBondContact OD1-O 2.86Å; N159-Y190 HydrophobicContact CB-CD1 4.19Å; N159-Y190 HydrophobicContact CB-CE1 3.83Å
160T85.8Confident83.2Confident0 Ų050.5 Ų50.50%025%0.251CS..SBendtrans-68.1-34-17768.60000112N114 K115 F116 K158 P189 L191N114-T160 WeakPolarHBondContact OD1-CB 3.35Å; K115-T160 PolarHBondContact N-O 3.04Å; K115-T160 VanDerWaalsContact N-O 3.08Å; F116-T160 HydrophobicContact CB-CG2 4.44Å; K158-T160 PolarHBondContact O-N 2.94Å; T160-P189 HydrophobicContact CG2-CB 3.99Å; T160-P189 PolarHBondContact N-O 2.88Å; T160-P189 WeakPolarHBondContact OG1-CB 2.88Å; T160-P189 WeakPolarHBondContact OG1-CG 3.43Å; T160-P189 PolarHBondContact OG1-O 3.12Å; T160-L191 HydrophobicContact CG2-CB 4.16Å; T160-L191 HydrophobicContact CG2-CD2 4.21Å; T160-L191 HydrophobicContact CG2-CG 4.32Å
161R80.4Confident83.3Confident110 Ų11045 Ų4542%0.41522%0.217SC..SBendtrans-110.283.1175.3-67.7-172.3176.2174.5-0.5109.8N114 N159N114-R161 HydrophobicContact CB-CG 4.39Å; N159-R161 VanDerWaalsContact C-N 3.33Å; N159-R161 PolarHBondContact O-N 2.87Å; N159-R161 PolarHBondContact OD1-N 2.93Å; N159-R161 PolarHBondContact OD1-O 2.64Å
162G67.4Low83.3Confident19 Ų1952.7 Ų52.720%0.19625%0.246CC..  trans-157.6159.8-178.100000111.6K115K115-G162 PolarHBondContact NZ-O 2.88Å
163H63.8Low83.2Confident39 Ų3948.9 Ų48.918%0.18123%0.23CC..  trans-142.2163.1-176.470.5-34.5000112.1P81 W82 G165 K166P81-H163 HydrophobicContact CB-CB 3.82Å; P81-H163 HydrophobicContact CG-CB 3.28Å; P81-H163 VanDerWaalsContact CG-CG 3.45Å; W82-H163 AromaticContact CE2-CE1 3.8Å; W82-H163 AromaticContact CZ2-CE1 3.72Å; W82-H163 AromaticContact NE1-CE1 3.34Å; W82-H163 PolarHBondContact NE1-CE1 2.88Å; W82-H163 VanDerWaalsContact NE1-CE1 3.34Å; W82-H163 AromaticContact NE1-NE2 3.28Å; W82-H163 PolarHBondContact NE1-NE2 3.1Å; H163-G165 PolarHBondContact O-N 2.74Å; H163-K166 PolarHBondContact O-N 3.23Å
164R57.5Low83.1Confident146 Ų14649.7 Ų49.755%0.55123%0.233SC*.THydrogen-bonded Turntrans60.925.7174.8-63-178.7179.1-173.34.5113.9K166 S231R164-K166 PolarHBondContact O-N 3.39Å; R164-S231 WeakPolarHBondContact CB-OG 3.22Å; R164-S231 PolarHBondContact O-OG 2.86Å; R164-S231 VanDerWaalsContact O-OG 3.1Å
165G55.9Low82.8Confident11 Ų1154.3 Ų54.311%0.11325%0.25CC..THydrogen-bonded Turntrans728.1-179.600000115H163 N229H163-G165 PolarHBondContact O-N 2.74Å; G165-N229 PolarHBondContact N-ND2 2.84Å
166K63.9Low82.6Confident142 Ų14257.8 Ų57.862%0.61727%0.266SS*.THydrogen-bonded Turntrans-68.2134.8170.9-64.6-175.5176.6-174.80108.9H163 R164H163-K166 PolarHBondContact O-N 3.23Å; R164-K166 PolarHBondContact O-N 3.39Å
167A76Confident82.4Confident32 Ų3257.6 Ų57.626%0.26427%0.265SS..THydrogen-bonded Turntrans59.141.3-176.500000114.8K158 N159 F169 Y190K158-A167 WeakPolarHBondContact CA-O 3.43Å; N159-A167 HydrophobicContact CB-CB 3.85Å; N159-A167 PolarHBondContact N-O 3.03Å; A167-F169 HydrophobicContact CB-CE2 4.11Å; A167-Y190 HydrophobicContact CB-CE1 4.49Å
168V85.9Confident82.2Confident24 Ų2459.1 Ų59.115%0.14528%0.278CS..EExtended strand (participates in β ladder)trans-114.6122.8165.5176.30000107.4V156 V157 K158 M226 Q227V156-V168 HydrophobicContact CG1-CG1 3.94Å; V157-V168 CarbonylContact O-C 3.54Å; V157-V168 WeakPolarHBondContact O-CA 3.35Å; K158-V168 HydrophobicContact CB-CG2 4.36Å; K158-V168 HydrophobicContact CG-CG1 4.15Å; K158-V168 HydrophobicContact CG-CG2 4.15Å; V168-M226 HydrophobicContact CG1-CE 3.62Å; V168-Q227 HydrophobicContact CB-CG 4.35Å; V168-Q227 HydrophobicContact CG1-CG 4.23Å; V168-Q227 PolarHBondContact O-NE2 2.86Å
169F89.3Confident82.1Confident68 Ų6863.1 Ų63.130%0.29830%0.3SS..EExtended strand (participates in β ladder)trans-127.4151.8-176.1-51.8-84000110.5V156 V157 A167 L180 I184V156-F169 WeakPolarHBondContact CA-O 3.41Å; V157-F169 HydrophobicContact CB-CB 4.41Å; V157-F169 PolarHBondContact N-O 2.77Å; V157-F169 PolarHBondContact O-N 3.24Å; A167-F169 HydrophobicContact CB-CE2 4.11Å; F169-L180 HydrophobicContact CB-CD1 3.72Å; F169-L180 HydrophobicContact CB-CD2 3.98Å; F169-L180 HydrophobicContact CD1-CD2 3.68Å; F169-L180 HydrophobicContact CD2-CD2 4.36Å; F169-L180 HydrophobicContact CE1-CD2 4.22Å; F169-L180 HydrophobicContact CG-CD1 4.34Å; F169-L180 HydrophobicContact CG-CD2 3.75Å; F169-I184 HydrophobicContact CE2-CG2 4.17Å
170L92.7Very high81.9Confident49 Ų4963.1 Ų63.126%0.25730%0.299SS..EExtended strand (participates in β ladder)trans-107.6106.3170.2-177.866.8000107.5P154 V156 Y195 M226P154-L170 HydrophobicContact CB-CD1 3.91Å; P154-L170 HydrophobicContact CB-CG 4.29Å; V156-L170 HydrophobicContact CG2-CD1 4.29Å; L170-Y195 HydrophobicContact CD1-CD1 4.25Å; L170-Y195 HydrophobicContact CD1-CD2 3.61Å; L170-Y195 HydrophobicContact CD1-CE1 4.46Å; L170-Y195 HydrophobicContact CD1-CE2 3.96Å; L170-Y195 HydrophobicContact CD1-CG 3.8Å; L170-M226 HydrophobicContact CB-CE 4.39Å; L170-M226 HydrophobicContact CB-SD 4.21Å; L170-M226 HydrophobicContact CD1-SD 3.94Å; L170-M226 HydrophobicContact CG-SD 4.48Å
171A93.3Very high81.8Confident0 Ų063.7 Ų63.70%030%0.304CS..EExtended strand (participates in β ladder)trans-81.4118.2172.700000108.5F153 P154 M155 V157 L177 L180F153-A171 HydrophobicContact CD1-CB 4.49Å; F153-A171 HydrophobicContact CE1-CB 4.26Å; P154-A171 CarbonylContact C-O 3.43Å; P154-A171 WeakPolarHBondContact CA-O 3.11Å; P154-A171 WeakPolarHBondContact CB-O 3.43Å; M155-A171 HydrophobicContact CG-CB 4.1Å; M155-A171 PolarHBondContact N-O 2.83Å; M155-A171 PolarHBondContact O-N 3.24Å; V157-A171 HydrophobicContact CG2-CB 4.34Å; A171-L177 HydrophobicContact CB-CB 3.85Å; A171-L177 HydrophobicContact CB-CD1 4.12Å; A171-L177 HydrophobicContact CB-CG 4.45Å; A171-L180 HydrophobicContact CB-CD1 4.09Å
172R93.2Very high81.9Confident170 Ų17065.7 Ų65.764%0.64232%0.317SS*.  trans-82.8-23.9-174.8-56.6177.5-179.9155.4-2.8113.4F153F153-R172 WeakPolarHBondContact CB-O 3.35Å
173D93.4Very high82.5Confident54 Ų5471.3 Ų71.329%0.28934%0.342SS..SBendtrans-161.2176.6-178.553.562.3000108.8F153 H175 H176 L177F153-D173 VanDerWaalsContact CD1-C 3.44Å; F153-D173 VanDerWaalsContact CD1-CA 3.43Å; F153-D173 VanDerWaalsContact CE1-O 3.25Å; F153-D173 WeakPolarHBondContact CE1-O 3.17Å; D173-H175 VanDerWaalsContact C-N 3.31Å; D173-H175 PolarHBondContact O-N 3.03Å; D173-H175 WeakPolarHBondContact OD1-CA 3.49Å; D173-H175 WeakPolarHBondContact OD1-CB 3.33Å; D173-H175 PolarHBondContact OD1-N 3.15Å; D173-H176 PolarHBondContact O-N 2.88Å; D173-H176 IonicContact OD1-CG 3.06Å; D173-H176 PolarHBondContact OD1-N 2.8Å; D173-H176 IonicContact OD1-ND1 3.85Å; D173-H176 PolarHBondContact OD1-ND1 2.84Å; D173-H176 IonicContact OD2-CE1 2.63Å; D173-H176 PolarHBondContact OD2-CE1 2.8Å; D173-H176 IonicContact OD2-CG 3.24Å; D173-H176 IonicContact OD2-ND1 2.77Å; D173-H176 PolarHBondContact OD2-ND1 3.33Å; D173-L177 PolarHBondContact O-N 2.74Å; D173-L177 VanDerWaalsContact O-N 3.1Å
174K91Very high83.2Confident82 Ų8270 Ų7036%0.35734%0.337SS..Hα-helixtrans-60.2-37.6179.9-169-177.6-169.4148.90112.9I145 D146 E149 F153 L177 A178I145-K174 HydrophobicContact CG2-CG 4.18Å; D146-K174 WeakPolarHBondContact OD1-CE 3.33Å; D146-K174 IonicContact OD1-NZ 3.8Å; D146-K174 PolarHBondContact OD1-NZ 3.41Å; E149-K174 WeakPolarHBondContact OE1-CD 3.44Å; E149-K174 WeakPolarHBondContact OE1-CE 3.48Å; E149-K174 IonicContact OE1-NZ 3.74Å; E149-K174 PolarHBondContact OE1-NZ 3.01Å; F153-K174 HydrophobicContact CE2-CB 4.02Å; F153-K174 VanDerWaalsContact CZ-CA 3.47Å; F153-K174 HydrophobicContact CZ-CB 4.01Å; K174-L177 PolarHBondContact O-N 2.91Å; K174-A178 PolarHBondContact O-N 2.75Å
175H90.1Very high84.1Confident149 Ų14971.7 Ų71.769%0.6934%0.343SS*.Hα-helixtrans-67.4-47.1-179.3-65.9-72.7000111D173 L177 A178 D179D173-H175 VanDerWaalsContact C-N 3.31Å; D173-H175 PolarHBondContact O-N 3.03Å; D173-H175 WeakPolarHBondContact OD1-CA 3.49Å; D173-H175 WeakPolarHBondContact OD1-CB 3.33Å; D173-H175 PolarHBondContact OD1-N 3.15Å; H175-L177 PolarHBondContact O-N 2.85Å; H175-A178 WeakPolarHBondContact O-CB 3.47Å; H175-A178 PolarHBondContact O-N 2.96Å; H175-A178 VanDerWaalsContact O-N 3.13Å; H175-D179 PolarHBondContact O-N 3.22Å
176H91.1Very high84.9Confident74 Ų7474.9 Ų74.934%0.34336%0.355SS..Hα-helixtrans-57.9-36.6173.1-80.1122.6000112.1D173 L180D173-H176 PolarHBondContact O-N 2.88Å; D173-H176 IonicContact OD1-CG 3.06Å; D173-H176 PolarHBondContact OD1-N 2.8Å; D173-H176 IonicContact OD1-ND1 3.85Å; D173-H176 PolarHBondContact OD1-ND1 2.84Å; D173-H176 IonicContact OD2-CE1 2.63Å; D173-H176 PolarHBondContact OD2-CE1 2.8Å; D173-H176 IonicContact OD2-CG 3.24Å; D173-H176 IonicContact OD2-ND1 2.77Å; D173-H176 PolarHBondContact OD2-ND1 3.33Å; H176-L180 WeakPolarHBondContact O-CB 3.49Å; H176-L180 VanDerWaalsContact O-CG 3.26Å; H176-L180 WeakPolarHBondContact O-CG 3.24Å; H176-L180 PolarHBondContact O-N 3.02Å
177L89.2Confident85.3Confident1 Ų175.4 Ų75.41%0.00536%0.359CS..Hα-helixtrans-70.4-39.4177.4-178.156.6000112.6I145 F153 M155 V157 A171 D173 K174 H175 L180 S181 F192I145-L177 HydrophobicContact CB-CD2 4.23Å; I145-L177 HydrophobicContact CD1-CG 4.09Å; I145-L177 HydrophobicContact CG1-CD2 3.89Å; I145-L177 HydrophobicContact CG1-CG 3.88Å; I145-L177 HydrophobicContact CG2-CD2 3.82Å; I145-L177 HydrophobicContact CG2-CG 4.32Å; F153-L177 HydrophobicContact CE1-CB 4.1Å; F153-L177 HydrophobicContact CE1-CD2 4.04Å; F153-L177 HydrophobicContact CZ-CB 4.46Å; F153-L177 HydrophobicContact CZ-CD2 4.06Å; M155-L177 HydrophobicContact SD-CD2 3.82Å; V157-L177 HydrophobicContact CG2-CD1 3.52Å; A171-L177 HydrophobicContact CB-CB 3.85Å; A171-L177 HydrophobicContact CB-CD1 4.12Å; A171-L177 HydrophobicContact CB-CG 4.45Å; D173-L177 PolarHBondContact O-N 2.74Å; D173-L177 VanDerWaalsContact O-N 3.1Å; K174-L177 PolarHBondContact O-N 2.91Å; H175-L177 PolarHBondContact O-N 2.85Å; L177-L180 PolarHBondContact O-N 2.86Å; L177-S181 PolarHBondContact O-N 2.83Å; L177-F192 HydrophobicContact CD1-CD1 4.22Å; L177-F192 HydrophobicContact CD1-CE1 3.63Å; L177-F192 HydrophobicContact CD2-CD1 4.24Å; L177-F192 HydrophobicContact CD2-CE1 3.91Å; L177-F192 HydrophobicContact CG-CE1 4.29Å
178A87.4Confident85.3Confident34 Ų3474.8 Ų74.828%0.28135%0.354SS..Hα-helixtrans-62.1-43.4172.600000111.1K174 H175 L180 S181 H182K174-A178 PolarHBondContact O-N 2.75Å; H175-A178 WeakPolarHBondContact O-CB 3.47Å; H175-A178 PolarHBondContact O-N 2.96Å; H175-A178 VanDerWaalsContact O-N 3.13Å; A178-L180 VanDerWaalsContact C-N 3.34Å; A178-L180 PolarHBondContact O-N 2.8Å; A178-S181 WeakPolarHBondContact O-CB 3.44Å; A178-S181 PolarHBondContact O-N 2.94Å; A178-S181 PolarHBondContact O-OG 2.89Å; A178-H182 PolarHBondContact O-CD2 2.97Å
179D88Confident85.1Confident97 Ų9775.6 Ų75.652%0.51936%0.36SS..Hα-helixtrans-61.7-42.4175.1-69.5-21.5000111.8H175 S181 H182H175-D179 PolarHBondContact O-N 3.22Å; D179-S181 PolarHBondContact O-N 2.79Å; D179-H182 PolarHBondContact O-N 2.7Å
180L85.1Confident85Confident24 Ų2472.9 Ų72.913%0.12635%0.348CS..Hα-helixtrans-60.2-33.6174.2-75.7171.1000111.9F169 A171 H176 L177 A178 H182 L183 I184F169-L180 HydrophobicContact CB-CD1 3.72Å; F169-L180 HydrophobicContact CB-CD2 3.98Å; F169-L180 HydrophobicContact CD1-CD2 3.68Å; F169-L180 HydrophobicContact CD2-CD2 4.36Å; F169-L180 HydrophobicContact CE1-CD2 4.22Å; F169-L180 HydrophobicContact CG-CD1 4.34Å; F169-L180 HydrophobicContact CG-CD2 3.75Å; A171-L180 HydrophobicContact CB-CD1 4.09Å; H176-L180 WeakPolarHBondContact O-CB 3.49Å; H176-L180 VanDerWaalsContact O-CG 3.26Å; H176-L180 WeakPolarHBondContact O-CG 3.24Å; H176-L180 PolarHBondContact O-N 3.02Å; L177-L180 PolarHBondContact O-N 2.86Å; A178-L180 VanDerWaalsContact C-N 3.34Å; A178-L180 PolarHBondContact O-N 2.8Å; L180-H182 PolarHBondContact O-N 3.11Å; L180-L183 PolarHBondContact O-N 2.95Å; L180-I184 WeakPolarHBondContact O-CG2 3.33Å; L180-I184 PolarHBondContact O-N 2.77Å; L180-I184 VanDerWaalsContact O-N 3.1Å
181S83Confident84.9Confident13 Ų1370.6 Ų70.69%0.09134%0.336CS..Hα-helixtrans-58-33.6178.182.80000112.9L177 A178 D179 L183 I184 H186L177-S181 PolarHBondContact O-N 2.83Å; A178-S181 WeakPolarHBondContact O-CB 3.44Å; A178-S181 PolarHBondContact O-N 2.94Å; A178-S181 PolarHBondContact O-OG 2.89Å; D179-S181 PolarHBondContact O-N 2.79Å; S181-L183 VanDerWaalsContact C-N 3.3Å; S181-L183 PolarHBondContact O-N 3.13Å; S181-I184 VanDerWaalsContact O-CG1 3.32Å; S181-I184 WeakPolarHBondContact O-CG1 3.4Å; S181-H186 PolarHBondContact O-CE1 2.98Å; S181-H186 VanDerWaalsContact O-CE1 3.31Å; S181-H186 PolarHBondContact O-NE2 3.01Å
182H82.5Confident84.9Confident151 Ų15170.6 Ų70.670%0.69934%0.336SS*.THydrogen-bonded Turntrans-77.6-15178.3-59.6-55000113.5A178 D179 L180A178-H182 PolarHBondContact O-CD2 2.97Å; D179-H182 PolarHBondContact O-N 2.7Å; L180-H182 PolarHBondContact O-N 3.11Å
183L80.1Confident85Confident137 Ų13762.6 Ų62.672%0.71731%0.306SS*.THydrogen-bonded Turntrans-102.3-20.4-177-62.5176.7000113.2L180 S181L180-L183 PolarHBondContact O-N 2.95Å; S181-L183 VanDerWaalsContact C-N 3.3Å; S181-L183 PolarHBondContact O-N 3.13Å
184I79.3Confident85.2Confident13 Ų1364.3 Ų64.37%0.06731%0.31CS..SBendtrans-83.3158.1-179.760.3170.5000111.7F141 F169 L180 S181 H186 Y190F141-I184 HydrophobicContact CD2-CD1 3.94Å; F141-I184 HydrophobicContact CE1-CD1 3.94Å; F141-I184 HydrophobicContact CE2-CD1 3.2Å; F141-I184 HydrophobicContact CZ-CD1 3.19Å; F169-I184 HydrophobicContact CE2-CG2 4.17Å; L180-I184 WeakPolarHBondContact O-CG2 3.33Å; L180-I184 PolarHBondContact O-N 2.77Å; L180-I184 VanDerWaalsContact O-N 3.1Å; S181-I184 VanDerWaalsContact O-CG1 3.32Å; S181-I184 WeakPolarHBondContact O-CG1 3.4Å; I184-H186 PolarHBondContact O-N 3.43Å; I184-Y190 HydrophobicContact CB-CE1 4.16Å; I184-Y190 HydrophobicContact CB-CE2 3.81Å; I184-Y190 WeakPolarHBondContact CB-OH 3.24Å; I184-Y190 HydrophobicContact CD1-CD2 4.12Å; I184-Y190 HydrophobicContact CD1-CE2 4.19Å; I184-Y190 HydrophobicContact CD1-CG 4.47Å; I184-Y190 HydrophobicContact CG1-CE2 4.44Å; I184-Y190 HydrophobicContact CG2-CD1 4.49Å; I184-Y190 HydrophobicContact CG2-CE1 3.76Å; I184-Y190 HydrophobicContact CG2-CE2 4.34Å
185R75.8Confident85.5Confident181 Ų18162.1 Ų62.168%0.68330%0.3SS*.  trans-86.6109.1177.6-60.6-177.372.8-179.55.8109.2E187 A188 Y190R185-E187 PolarHBondContact O-N 2.91Å; R185-E187 VanDerWaalsContact O-N 3.12Å; R185-A188 HydrophobicContact CB-CB 4.34Å; R185-A188 PolarHBondContact O-N 2.9Å; R185-Y190 WeakPolarHBondContact O-CE2 3.33Å
186H72.3Confident85.7Confident77 Ų7755.7 Ų55.736%0.35627%0.272SS..THydrogen-bonded Turntrans-63.1-18.6-176.8-68.1-73.9000113.7H138 S181 I184 A188H138-H186 WeakPolarHBondContact CB-O 3.37Å; H138-H186 PolarHBondContact CD2-O 3.31Å; S181-H186 PolarHBondContact O-CE1 2.98Å; S181-H186 VanDerWaalsContact O-CE1 3.31Å; S181-H186 PolarHBondContact O-NE2 3.01Å; I184-H186 PolarHBondContact O-N 3.43Å; H186-A188 VanDerWaalsContact C-N 3.27Å; H186-A188 PolarHBondContact O-N 3.08Å
187E72.6Confident85.9Confident154 Ų15458.8 Ų58.872%0.7228%0.284SS*.THydrogen-bonded Turntrans-78.7-13175.8-46.980.2-171.800112.9R185R185-E187 PolarHBondContact O-N 2.91Å; R185-E187 VanDerWaalsContact O-N 3.12Å
188A76.9Confident86.2Confident19 Ų1960.9 Ų60.916%0.15729%0.294CS..SBendtrans-96.9135.6-179.600000111.3H138 R185 H186 Y190H138-A188 PolarHBondContact CD2-O 3.21Å; H138-A188 VanDerWaalsContact NE2-C 3.31Å; H138-A188 PolarHBondContact NE2-O 3.04Å; H138-A188 VanDerWaalsContact NE2-O 3.09Å; R185-A188 HydrophobicContact CB-CB 4.34Å; R185-A188 PolarHBondContact O-N 2.9Å; H186-A188 VanDerWaalsContact C-N 3.27Å; H186-A188 PolarHBondContact O-N 3.08Å; A188-Y190 HydrophobicContact CB-CE2 4.05Å; A188-Y190 WeakPolarHBondContact O-CD2 3.16Å; A188-Y190 WeakPolarHBondContact O-CE2 3.16Å; A188-Y190 PolarHBondContact O-N 3.23Å
189P80.6Confident86.6Confident40 Ų4059.5 Ų59.526%0.2628%0.282SS..  trans-62.7130.5170.623.3-31.2000113.2H138 N159 T160H138-P189 WeakPolarHBondContact NE2-CA 3.48Å; N159-P189 PolarHBondContact OD1-O 2.86Å; T160-P189 HydrophobicContact CG2-CB 3.99Å; T160-P189 PolarHBondContact N-O 2.88Å; T160-P189 WeakPolarHBondContact OG1-CB 2.88Å; T160-P189 WeakPolarHBondContact OG1-CG 3.43Å; T160-P189 PolarHBondContact OG1-O 3.12Å
190Y86.8Confident86.8Confident11 Ų1158.4 Ų58.44%0.04327%0.274CS..EExtended strand (participates in β ladder)trans-118150.4171.4-74.1-94.7000110.6S134 V157 K158 N159 A167 I184 R185 A188S134-Y190 PolarHBondContact OG-O 2.83Å; V157-Y190 HydrophobicContact CG1-CD1 3.95Å; K158-Y190 CarbonylContact O-C 3.54Å; K158-Y190 VanDerWaalsContact O-CA 3.28Å; K158-Y190 WeakPolarHBondContact O-CA 3.27Å; N159-Y190 HydrophobicContact CB-CD1 4.19Å; N159-Y190 HydrophobicContact CB-CE1 3.83Å; A167-Y190 HydrophobicContact CB-CE1 4.49Å; I184-Y190 HydrophobicContact CB-CE1 4.16Å; I184-Y190 HydrophobicContact CB-CE2 3.81Å; I184-Y190 WeakPolarHBondContact CB-OH 3.24Å; I184-Y190 HydrophobicContact CD1-CD2 4.12Å; I184-Y190 HydrophobicContact CD1-CE2 4.19Å; I184-Y190 HydrophobicContact CD1-CG 4.47Å; I184-Y190 HydrophobicContact CG1-CE2 4.44Å; I184-Y190 HydrophobicContact CG2-CD1 4.49Å; I184-Y190 HydrophobicContact CG2-CE1 3.76Å; I184-Y190 HydrophobicContact CG2-CE2 4.34Å; R185-Y190 WeakPolarHBondContact O-CE2 3.33Å; A188-Y190 HydrophobicContact CB-CE2 4.05Å; A188-Y190 WeakPolarHBondContact O-CD2 3.16Å; A188-Y190 WeakPolarHBondContact O-CE2 3.16Å; A188-Y190 PolarHBondContact O-N 3.23Å
191L91Very high87.1Confident1 Ų157.6 Ų57.61%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-117.2151.5167.265.277.9000110.1K115 F116 F119 T132 F133 V157 K158 T160 Q193K115-L191 HydrophobicContact CB-CD2 3.8Å; F116-L191 HydrophobicContact CB-CD2 4.44Å; F119-L191 HydrophobicContact CE2-CD2 4.42Å; T132-L191 HydrophobicContact CG2-CB 4.07Å; T132-L191 HydrophobicContact CG2-CD1 3.96Å; T132-L191 HydrophobicContact CG2-CD2 4.18Å; T132-L191 HydrophobicContact CG2-CG 4.3Å; F133-L191 CarbonylContact O-C 3.59Å; F133-L191 WeakPolarHBondContact O-CA 3.33Å; F133-L191 WeakPolarHBondContact O-CB 3.29Å; V157-L191 WeakPolarHBondContact CA-O 3.33Å; K158-L191 HydrophobicContact CB-CD1 3.72Å; K158-L191 HydrophobicContact CB-CG 4.02Å; K158-L191 HydrophobicContact CD-CD1 3.99Å; K158-L191 HydrophobicContact CG-CD1 3.85Å; K158-L191 PolarHBondContact N-O 3.49Å; K158-L191 PolarHBondContact O-N 3.28Å; T160-L191 HydrophobicContact CG2-CB 4.16Å; T160-L191 HydrophobicContact CG2-CD2 4.21Å; T160-L191 HydrophobicContact CG2-CG 4.32Å; L191-Q193 HydrophobicContact CD1-CB 3.97Å
192F93.5Very high87.6Confident0 Ų062.6 Ų62.60%029%0.288CS..EExtended strand (participates in β ladder)trans-111136171.3-55.7-100.7000107.3T132 F133 Y135 F141 M144 A148 L151 M155 V156 V157 L177T132-F192 CarbonylContact C-O 3.54Å; T132-F192 WeakPolarHBondContact CA-O 3.41Å; F133-F192 HydrophobicContact CB-CB 4.46Å; F133-F192 PolarHBondContact N-O 3.46Å; F133-F192 PolarHBondContact O-N 3.26Å; Y135-F192 HydrophobicContact CD2-CD2 4.16Å; Y135-F192 AromaticContact CD2-CE2 3.9Å; Y135-F192 HydrophobicContact CD2-CE2 3.9Å; Y135-F192 AromaticContact CE2-CD2 3.63Å; Y135-F192 HydrophobicContact CE2-CD2 3.63Å; Y135-F192 AromaticContact CE2-CE2 3.57Å; Y135-F192 HydrophobicContact CE2-CE2 3.57Å; F141-F192 HydrophobicContact CE1-CZ 4.26Å; F141-F192 AromaticContact CE2-CZ 3.9Å; F141-F192 HydrophobicContact CE2-CZ 3.9Å; F141-F192 HydrophobicContact CZ-CE1 4.14Å; F141-F192 AromaticContact CZ-CZ 3.54Å; F141-F192 HydrophobicContact CZ-CZ 3.54Å; M144-F192 HydrophobicContact CB-CE2 4.35Å; M144-F192 HydrophobicContact CB-CZ 4.5Å; M144-F192 HydrophobicContact CE-CE2 3.87Å; M144-F192 HydrophobicContact CE-CZ 4.37Å; A148-F192 HydrophobicContact CB-CB 4.12Å; A148-F192 HydrophobicContact CB-CD1 4.09Å; A148-F192 HydrophobicContact CB-CD2 4.37Å; A148-F192 HydrophobicContact CB-CG 3.95Å; L151-F192 HydrophobicContact CD1-CB 3.73Å; M155-F192 HydrophobicContact SD-CB 4.42Å; M155-F192 HydrophobicContact SD-CD1 3.96Å; V156-F192 CarbonylContact O-C 3.5Å; V156-F192 WeakPolarHBondContact O-CA 3.35Å; V157-F192 HydrophobicContact CG1-CE1 4.47Å; V157-F192 HydrophobicContact CG2-CD1 3.96Å; V157-F192 HydrophobicContact CG2-CE1 4.18Å; L177-F192 HydrophobicContact CD1-CD1 4.22Å; L177-F192 HydrophobicContact CD1-CE1 3.63Å; L177-F192 HydrophobicContact CD2-CD1 4.24Å; L177-F192 HydrophobicContact CD2-CE1 3.91Å; L177-F192 HydrophobicContact CG-CE1 4.29Å
193Q95.9Very high88.2Confident2 Ų255.7 Ų55.71%0.00926%0.256CS..EExtended strand (participates in β ladder)trans-140.2138.3-172.5-178.5170.677.300110.6F119 P130 D131 T132 V156 L191 Y195F119-Q193 VanDerWaalsContact CZ-NE2 3.32Å; P130-Q193 HydrophobicContact CB-CG 3.68Å; P130-Q193 HydrophobicContact CG-CG 4.24Å; D131-Q193 CarbonylContact O-C 3.49Å; D131-Q193 WeakPolarHBondContact O-CA 3.2Å; T132-Q193 HydrophobicContact CG2-CB 4.35Å; T132-Q193 WeakPolarHBondContact OG1-CG 3.47Å; T132-Q193 PolarHBondContact OG1-NE2 2.86Å; V156-Q193 HydrophobicContact CB-CB 4.38Å; V156-Q193 PolarHBondContact N-O 3.15Å; V156-Q193 PolarHBondContact O-N 3.42Å; L191-Q193 HydrophobicContact CD1-CB 3.97Å; Q193-Y195 PolarHBondContact O-N 3.44Å
194K96.8Very high88.9Confident90 Ų9049.4 Ų49.439%0.39122%0.223SC..EExtended strand (participates in β ladder)trans-52.3130.8173.1-175.6167-173.7160.90110.3P130 D131 L151P130-K194 HydrophobicContact CB-CB 4.34Å; D131-K194 HydrophobicContact CB-CB 4.15Å; D131-K194 PolarHBondContact O-N 2.78Å; L151-K194 HydrophobicContact CD2-CB 4.2Å
195Y96.6Very high89.6Confident36 Ų3650 Ų5014%0.14122%0.224CC..  trans-79.4124.8-179.3179.4-121.2000111.7P154 V156 L170 Q193 K197 H200 M226P154-Y195 HydrophobicContact CB-CD1 4.4Å; P154-Y195 HydrophobicContact CG-CD1 3.48Å; P154-Y195 VanDerWaalsContact CG-CD1 3.48Å; P154-Y195 HydrophobicContact CG-CE1 4.06Å; P154-Y195 HydrophobicContact CG-CG 4.21Å; P154-Y195 WeakPolarHBondContact O-CB 3.09Å; V156-Y195 HydrophobicContact CG2-CD2 3.63Å; V156-Y195 HydrophobicContact CG2-CG 4.37Å; L170-Y195 HydrophobicContact CD1-CD1 4.25Å; L170-Y195 HydrophobicContact CD1-CD2 3.61Å; L170-Y195 HydrophobicContact CD1-CE1 4.46Å; L170-Y195 HydrophobicContact CD1-CE2 3.96Å; L170-Y195 HydrophobicContact CD1-CG 3.8Å; Q193-Y195 PolarHBondContact O-N 3.44Å; Y195-K197 HydrophobicContact CD1-CB 3.96Å; Y195-K197 VanDerWaalsContact CE1-CA 3.42Å; Y195-K197 HydrophobicContact CE1-CB 3.57Å; Y195-K197 PolarHBondContact O-N 3.23Å; Y195-H200 AromaticContact CZ-ND1 3.78Å; Y195-H200 WeakPolarHBondContact OH-CB 3.35Å; Y195-H200 PolarHBondContact OH-ND1 3.45Å; Y195-M226 HydrophobicContact CD2-SD 3.8Å; Y195-M226 HydrophobicContact CE2-CG 3.89Å; Y195-M226 HydrophobicContact CE2-SD 3.48Å; Y195-M226 WeakPolarHBondContact CE2-SD 3.45Å
196V96.3Very high90.6Very high15 Ų1541.3 Ų41.39%0.09119%0.192CC..  trans-93.588.9174.6-172.30000108.3P130 E198 S199 L266 K268P130-V196 HydrophobicContact CB-CG2 4.25Å; P130-V196 HydrophobicContact CG-CG2 4.03Å; V196-E198 WeakPolarHBondContact CG1-OE2 3.38Å; V196-E198 PolarHBondContact O-N 3.09Å; V196-S199 PolarHBondContact O-N 3.35Å; V196-L266 HydrophobicContact CB-CB 4.43Å; V196-L266 HydrophobicContact CB-CD1 3.97Å; V196-L266 HydrophobicContact CG1-CB 4.26Å; V196-L266 HydrophobicContact CG2-CD1 3.72Å; V196-K268 HydrophobicContact CG1-CG 4.43Å
197K94.8Very high91.7Very high138 Ų13838.5 Ų38.560%0.618%0.179SC*.G310 helixtrans-61.6-32.1-173.563.2-179.7-179.5-179.20113.4Y195 S199 H200Y195-K197 HydrophobicContact CD1-CB 3.96Å; Y195-K197 VanDerWaalsContact CE1-CA 3.42Å; Y195-K197 HydrophobicContact CE1-CB 3.57Å; Y195-K197 PolarHBondContact O-N 3.23Å; K197-S199 PolarHBondContact O-N 3.11Å; K197-H200 VanDerWaalsContact O-CB 3.3Å; K197-H200 WeakPolarHBondContact O-CB 3.28Å; K197-H200 PolarHBondContact O-N 2.98Å
198E94.9Very high92.9Very high46 Ų4631.2 Ų31.222%0.21515%0.145CC..G310 helixtrans-63.4-32-179.5-57.378.2-167.400110.8V196 H200 R202 D269V196-E198 WeakPolarHBondContact CG1-OE2 3.38Å; V196-E198 PolarHBondContact O-N 3.09Å; E198-H200 VanDerWaalsContact C-N 3.35Å; E198-R202 PolarHBondContact O-NH2 3.16Å; E198-D269 WeakPolarHBondContact CB-OD1 3.49Å; E198-D269 HydrophobicContact CG-CB 4.09Å; E198-D269 WeakPolarHBondContact CG-OD1 3.25Å; E198-D269 VanDerWaalsContact CG-OD2 3.32Å; E198-D269 WeakPolarHBondContact CG-OD2 3.26Å
199S95.1Very high93.7Very high5 Ų531.2 Ų31.24%0.03514%0.143CC..G310 helixtrans-92.817.4176.5-144.70000113V196 K197 G201 R202 L266 M267V196-S199 PolarHBondContact O-N 3.35Å; K197-S199 PolarHBondContact O-N 3.11Å; S199-G201 PolarHBondContact O-N 2.82Å; S199-G201 VanDerWaalsContact O-N 3.14Å; S199-R202 PolarHBondContact O-N 2.9Å; S199-R202 PolarHBondContact OG-O 2.83Å; S199-L266 WeakPolarHBondContact OG-CA 3.32Å; S199-M267 WeakPolarHBondContact CB-O 3.43Å; S199-M267 PolarHBondContact N-O 3.05Å; S199-M267 PolarHBondContact OG-N 3.31Å
200H93.8Very high94.3Very high74 Ų7431.3 Ų31.334%0.34315%0.152SC..THydrogen-bonded Turntrans-53.2124.2178.4-171.495.1000111.3Y195 K197 E198 R202 G224Y195-H200 AromaticContact CZ-ND1 3.78Å; Y195-H200 WeakPolarHBondContact OH-CB 3.35Å; Y195-H200 PolarHBondContact OH-ND1 3.45Å; K197-H200 VanDerWaalsContact O-CB 3.3Å; K197-H200 WeakPolarHBondContact O-CB 3.28Å; K197-H200 PolarHBondContact O-N 2.98Å; E198-H200 VanDerWaalsContact C-N 3.35Å; H200-R202 PolarHBondContact O-N 3.36Å; H200-R202 VanDerWaalsContact O-N 3.1Å; H200-G224 PolarHBondContact NE2-O 2.92Å; H200-G224 VanDerWaalsContact NE2-O 3.14Å
201G91.1Very high94.6Very high6 Ų632 Ų326%0.06216%0.162CC..THydrogen-bonded Turntrans66.411.5175.500000113.6S199 C220 S221 R225 M226 S228S199-G201 PolarHBondContact O-N 2.82Å; S199-G201 VanDerWaalsContact O-N 3.14Å; G201-C220 CarbonylContact O-C 3.5Å; G201-C220 WeakPolarHBondContact O-CA 2.98Å; G201-S221 PolarHBondContact O-N 3.28Å; G201-R225 WeakPolarHBondContact CA-O 3.43Å; G201-M226 WeakPolarHBondContact CA-O 3.47Å; G201-M226 PolarHBondContact N-O 2.64Å; G201-S228 WeakPolarHBondContact O-CB 3.37Å
202R92.8Very high94.8Very high119 Ų11938.3 Ų38.345%0.44919%0.186SC..EExtended strand (participates in β ladder)trans-143.5141.7-174.8-59.1179-66.2173.84.4111.7E198 S199 H200 R219 M267E198-R202 PolarHBondContact O-NH2 3.16Å; S199-R202 PolarHBondContact O-N 2.9Å; S199-R202 PolarHBondContact OG-O 2.83Å; H200-R202 PolarHBondContact O-N 3.36Å; H200-R202 VanDerWaalsContact O-N 3.1Å; R202-R219 VanDerWaalsContact CA-O 3.26Å; R202-R219 WeakPolarHBondContact CA-O 3.22Å; R202-M267 HydrophobicContact CB-CE 3.57Å
203D94.9Very high94.9Very high5 Ų540.1 Ų40.13%0.02720%0.197CC..EExtended strand (participates in β ladder)trans-155.6163.7170.484.1-63.4000110.7R219 S228 L265 L266D203-R219 PolarHBondContact N-O 3.08Å; D203-R219 VanDerWaalsContact N-O 3.09Å; D203-R219 PolarHBondContact O-N 3.4Å; D203-R219 WeakPolarHBondContact OD1-CB 3.44Å; D203-R219 IonicContact OD1-CZ 2.94Å; D203-R219 IonicContact OD1-NE 2.86Å; D203-R219 PolarHBondContact OD1-NE 3.46Å; D203-R219 IonicContact OD1-NH2 2.64Å; D203-R219 PolarHBondContact OD1-NH2 2.95Å; D203-R219 IonicContact OD2-CZ 2.71Å; D203-R219 IonicContact OD2-NE 2.78Å; D203-R219 PolarHBondContact OD2-NE 3.44Å; D203-R219 IonicContact OD2-NH2 3.66Å; D203-R219 PolarHBondContact OD2-NH2 3.09Å; D203-S228 WeakPolarHBondContact OD1-CB 3.47Å; D203-S228 PolarHBondContact OD1-OG 2.84Å; D203-L265 WeakPolarHBondContact CA-O 3.4Å; D203-L265 WeakPolarHBondContact CB-O 3.42Å; D203-L266 HydrophobicContact CB-CD2 4.14Å
204V95.1Very high94.8Very high5 Ų542.4 Ų42.43%0.0321%0.211CC..EExtended strand (participates in β ladder)trans-111.7117.1175.7-176.20000109.8V206 M217 L218 L241 L265 M267 F273V204-V206 HydrophobicContact CG1-CG2 4.21Å; V204-M217 WeakPolarHBondContact CA-O 3.39Å; V204-L218 HydrophobicContact CG2-CD1 4.04Å; V204-L241 HydrophobicContact CG1-CD1 4.23Å; V204-L265 HydrophobicContact CB-CB 4.49Å; V204-L265 PolarHBondContact N-O 3.47Å; V204-L265 PolarHBondContact O-N 2.73Å; V204-M267 HydrophobicContact CG2-CE 4.48Å; V204-M267 HydrophobicContact CG2-CG 4.44Å; V204-M267 HydrophobicContact CG2-SD 3.98Å; V204-F273 HydrophobicContact CG2-CE1 4.41Å
205R94.9Very high94.6Very high25 Ų2538.9 Ų38.99%0.09420%0.2CC..EExtended strand (participates in β ladder)trans-82.4125.4167.3173.473.577.6-162.4-10.5109I207 T216 M217 R219 G262 D264 N279R205-I207 HydrophobicContact CG-CD1 3.83Å; R205-T216 CarbonylContact O-C 3.46Å; R205-T216 WeakPolarHBondContact O-CA 3.5Å; R205-M217 HydrophobicContact CB-CE 4.44Å; R205-M217 PolarHBondContact N-O 3.14Å; R205-M217 PolarHBondContact O-N 3.16Å; R205-R219 VanDerWaalsContact NH2-NH1 3.13Å; R205-G262 PolarHBondContact NH1-O 3.34Å; R205-G262 VanDerWaalsContact NH1-O 3.16Å; R205-D264 WeakPolarHBondContact CD-OD1 3.09Å; R205-D264 IonicContact CZ-OD1 3.38Å; R205-D264 IonicContact CZ-OD2 3.38Å; R205-D264 IonicContact NE-OD1 3.45Å; R205-D264 PolarHBondContact NE-OD1 3.19Å; R205-D264 IonicContact NE-OD2 2.71Å; R205-D264 IonicContact NH1-OD1 3.72Å; R205-D264 PolarHBondContact NH1-OD1 2.74Å; R205-D264 IonicContact NH1-OD2 3.29Å; R205-D264 PolarHBondContact NH1-OD2 3.31Å; R205-D264 IonicContact NH2-OD1 2.73Å; R205-D264 PolarHBondContact NH2-OD1 3.1Å; R205-D264 IonicContact NH2-OD2 2.63Å; R205-D264 PolarHBondContact NH2-OD2 3.19Å; R205-N279 PolarHBondContact NH1-ND2 3.43Å
206V96.4Very high94.5Very high0 Ų037.9 Ų37.90%020%0.198CC..EExtended strand (participates in β ladder)trans-112.1124.2174.3-168.40000109.1V204 V208 V213 T216 L241 A249 G262 I263 L265V204-V206 HydrophobicContact CG1-CG2 4.21Å; V206-V208 HydrophobicContact CG1-CG2 4.26Å; V206-V213 HydrophobicContact CG1-CB 4.33Å; V206-V213 HydrophobicContact CG1-CG1 3.61Å; V206-V213 HydrophobicContact CG1-CG2 3.79Å; V206-T216 HydrophobicContact CB-CG2 4.35Å; V206-T216 HydrophobicContact CG1-CG2 3.91Å; V206-T216 HydrophobicContact CG2-CG2 4.21Å; V206-L241 HydrophobicContact CG1-CD2 4.24Å; V206-L241 HydrophobicContact CG2-CD2 3.48Å; V206-L241 VanDerWaalsContact CG2-CD2 3.48Å; V206-A249 HydrophobicContact CB-CB 3.87Å; V206-A249 HydrophobicContact CG1-CB 3.58Å; V206-A249 HydrophobicContact CG2-CB 4.22Å; V206-G262 CarbonylContact O-C 3.5Å; V206-G262 VanDerWaalsContact O-CA 3.27Å; V206-G262 WeakPolarHBondContact O-CA 3.06Å; V206-I263 HydrophobicContact CB-CB 4.49Å; V206-I263 PolarHBondContact N-O 3.39Å; V206-I263 PolarHBondContact O-N 3.47Å; V206-L265 HydrophobicContact CG2-CD1 3.73Å; V206-L265 HydrophobicContact CG2-CG 4.13Å
207I95.3Very high94.3Very high18 Ų1838 Ų389%0.09220%0.197CC..EExtended strand (participates in β ladder)trans-96.6120.5175.8-50.6-62000108.4R205 V209 V213 V214 G215 C261 P282 F283R205-I207 HydrophobicContact CG-CD1 3.83Å; I207-V209 HydrophobicContact CG2-CG2 4.45Å; I207-V213 WeakPolarHBondContact O-CA 3.12Å; I207-V214 HydrophobicContact CB-CG2 4.04Å; I207-V214 HydrophobicContact CG2-CG2 3.66Å; I207-V214 PolarHBondContact O-N 3.47Å; I207-G215 PolarHBondContact N-O 2.88Å; I207-C261 WeakPolarHBondContact CA-O 3.31Å; I207-P282 HydrophobicContact CD1-CB 3.91Å; I207-F283 HydrophobicContact CG2-CE1 4.13Å; I207-F283 HydrophobicContact CG2-CZ 4.09Å
208V96.3Very high94.2Very high0 Ų033.4 Ų33.40%018%0.179CC..EExtended strand (participates in β ladder)trans-114131.4178.5-173.80000109V206 R212 V213 A249 V260 C261V206-V208 HydrophobicContact CG1-CG2 4.26Å; V208-R212 CarbonylContact C-O 3.54Å; V208-R212 VanDerWaalsContact CA-O 3.31Å; V208-R212 WeakPolarHBondContact CA-O 3.32Å; V208-V213 HydrophobicContact CG2-CG2 4.29Å; V208-A249 HydrophobicContact CG2-CB 4Å; V208-V260 WeakPolarHBondContact O-CA 2.79Å; V208-C261 PolarHBondContact N-O 2.87Å; V208-C261 PolarHBondContact O-N 2.83Å
209V94.9Very high94Very high19 Ų1931.4 Ų31.412%0.11517%0.17CC..EExtended strand (participates in β ladder)trans-134122.9175.7177.80000108.6I207 G211 R212 V214 D259 V260I207-V209 HydrophobicContact CG2-CG2 4.45Å; V209-G211 VanDerWaalsContact C-N 3.27Å; V209-G211 PolarHBondContact O-N 2.84Å; V209-R212 PolarHBondContact N-O 3.17Å; V209-R212 PolarHBondContact O-N 3.34Å; V209-V214 HydrophobicContact CB-CG1 4.03Å; V209-V214 HydrophobicContact CB-CG2 4.26Å; V209-V214 HydrophobicContact CG2-CG1 4.41Å; V209-V214 HydrophobicContact CG2-CG2 3.74Å; V209-D259 CarbonylContact C-O 3.57Å; V209-D259 VanDerWaalsContact CA-O 3.24Å; V209-D259 WeakPolarHBondContact CA-O 3.38Å; V209-V260 HydrophobicContact CG1-CG2 4.29Å; V209-V260 HydrophobicContact CG2-CG1 4.29Å; V209-V260 HydrophobicContact CG2-CG2 4.43Å
210G92.4Very high93.7Very high43 Ų4332.5 Ų32.544%0.44318%0.177SC..THydrogen-bonded Turntrans56.238.9178.200000113.3R212 D259G210-R212 VanDerWaalsContact C-N 3.29Å; G210-R212 PolarHBondContact O-N 2.8Å; G210-D259 PolarHBondContact N-O 2.77Å
211G93.5Very high93.4Very high25 Ų2530.2 Ų30.226%0.25817%0.17SC..THydrogen-bonded Turntrans7412.1-178.300000115.1V209V209-G211 VanDerWaalsContact C-N 3.27Å; V209-G211 PolarHBondContact O-N 2.84Å
212R95.9Very high93Very high133 Ų13334.1 Ų34.150%0.50219%0.192SC..EExtended strand (participates in β ladder)trans-120.2137.8177.2-61.6-180-178.51652.6110.9V208 V209 G210 V214V208-R212 CarbonylContact C-O 3.54Å; V208-R212 VanDerWaalsContact CA-O 3.31Å; V208-R212 WeakPolarHBondContact CA-O 3.32Å; V209-R212 PolarHBondContact N-O 3.17Å; V209-R212 PolarHBondContact O-N 3.34Å; G210-R212 VanDerWaalsContact C-N 3.29Å; G210-R212 PolarHBondContact O-N 2.8Å; R212-V214 PolarHBondContact O-N 2.8Å
213V96.2Very high92.3Very high38 Ų3832.2 Ų32.223%0.2319%0.191CC..EExtended strand (participates in β ladder)trans-73.7115.4170.5176.80000108.9V206 I207 V208 T216 K246 I250V206-V213 HydrophobicContact CG1-CB 4.33Å; V206-V213 HydrophobicContact CG1-CG1 3.61Å; V206-V213 HydrophobicContact CG1-CG2 3.79Å; I207-V213 WeakPolarHBondContact O-CA 3.12Å; V208-V213 HydrophobicContact CG2-CG2 4.29Å; V213-T216 HydrophobicContact CG1-CG2 3.91Å; V213-K246 HydrophobicContact CB-CG 4.38Å; V213-K246 HydrophobicContact CG1-CG 4.39Å; V213-K246 HydrophobicContact CG2-CB 3.89Å; V213-K246 HydrophobicContact CG2-CG 4.09Å; V213-I250 HydrophobicContact CG2-CD1 4.17Å; V213-I250 HydrophobicContact CG2-CG1 4.04Å
214V93.7Very high91.5Very high50 Ų5034.9 Ų34.930%0.30322%0.22SC..EExtended strand (participates in β ladder)trans-104.4-12.7-178.1-620000113.2I207 V209 R212I207-V214 HydrophobicContact CB-CG2 4.04Å; I207-V214 HydrophobicContact CG2-CG2 3.66Å; I207-V214 PolarHBondContact O-N 3.47Å; V209-V214 HydrophobicContact CB-CG1 4.03Å; V209-V214 HydrophobicContact CB-CG2 4.26Å; V209-V214 HydrophobicContact CG2-CG1 4.41Å; V209-V214 HydrophobicContact CG2-CG2 3.74Å; R212-V214 PolarHBondContact O-N 2.8Å
215G92.5Very high90.8Very high16 Ų1640.4 Ų40.417%0.16524%0.24CC..EExtended strand (participates in β ladder)trans-171.9152.7177.200000113I207I207-G215 PolarHBondContact N-O 2.88Å
216T94.3Very high90.3Very high16 Ų1640.6 Ų40.610%0.09824%0.242CC..EExtended strand (participates in β ladder)trans-140.4135.3-178.339.90000110.1R205 V206 V213 M238 C239 L241R205-T216 CarbonylContact O-C 3.46Å; R205-T216 WeakPolarHBondContact O-CA 3.5Å; V206-T216 HydrophobicContact CB-CG2 4.35Å; V206-T216 HydrophobicContact CG1-CG2 3.91Å; V206-T216 HydrophobicContact CG2-CG2 4.21Å; V213-T216 HydrophobicContact CG1-CG2 3.91Å; T216-M238 WeakPolarHBondContact O-CE 3.16Å; T216-C239 PolarHBondContact O-N 3.34Å; T216-C239 PolarHBondContact OG1-O 3.28Å; T216-L241 HydrophobicContact CG2-CB 3.79Å; T216-L241 HydrophobicContact CG2-CD2 3.87Å; T216-L241 HydrophobicContact CG2-CG 4.49Å
217M92.3Very high89.5Confident16 Ų1642.4 Ų42.48%0.07925%0.251CS..EExtended strand (participates in β ladder)trans-135118.7-177.9-179.5174.259.900109.8V204 R205 R219 M237 P286V204-M217 WeakPolarHBondContact CA-O 3.39Å; R205-M217 HydrophobicContact CB-CE 4.44Å; R205-M217 PolarHBondContact N-O 3.14Å; R205-M217 PolarHBondContact O-N 3.16Å; M217-R219 HydrophobicContact CE-CG 3.93Å; M217-R219 HydrophobicContact CG-CG 4.24Å; M217-M237 CarbonylContact C-O 3.59Å; M217-M237 WeakPolarHBondContact CA-O 3.45Å; M217-P286 HydrophobicContact SD-CB 4.48Å
218L92.4Very high88.3Confident43 Ų4342 Ų4223%0.22525%0.249CC..EExtended strand (participates in β ladder)trans-75.9123.2166.1176.666.3000107.8V204 G236 M237 C239 M267V204-L218 HydrophobicContact CG2-CD1 4.04Å; L218-G236 CarbonylContact O-C 3.53Å; L218-G236 WeakPolarHBondContact O-CA 3.48Å; L218-M237 HydrophobicContact CD2-CE 4.45Å; L218-M237 PolarHBondContact N-O 3.01Å; L218-M237 PolarHBondContact O-N 3.36Å; L218-C239 HydrophobicContact CB-CB 3.94Å; L218-C239 PolarHBondContact N-SG 3.45Å; L218-M267 HydrophobicContact CD1-CE 4.01Å; L218-M267 HydrophobicContact CD1-SD 4.17Å
219R91Very high87Confident3 Ų343.1 Ų43.11%0.01126%0.256CS..EExtended strand (participates in β ladder)trans-106.8135.7173.8-51.6-176.7-73.3-171.9-3.9109.3R202 D203 R205 M217 S228 N229 V235 D264R202-R219 VanDerWaalsContact CA-O 3.26Å; R202-R219 WeakPolarHBondContact CA-O 3.22Å; D203-R219 PolarHBondContact N-O 3.08Å; D203-R219 VanDerWaalsContact N-O 3.09Å; D203-R219 PolarHBondContact O-N 3.4Å; D203-R219 WeakPolarHBondContact OD1-CB 3.44Å; D203-R219 IonicContact OD1-CZ 2.94Å; D203-R219 IonicContact OD1-NE 2.86Å; D203-R219 PolarHBondContact OD1-NE 3.46Å; D203-R219 IonicContact OD1-NH2 2.64Å; D203-R219 PolarHBondContact OD1-NH2 2.95Å; D203-R219 IonicContact OD2-CZ 2.71Å; D203-R219 IonicContact OD2-NE 2.78Å; D203-R219 PolarHBondContact OD2-NE 3.44Å; D203-R219 IonicContact OD2-NH2 3.66Å; D203-R219 PolarHBondContact OD2-NH2 3.09Å; R205-R219 VanDerWaalsContact NH2-NH1 3.13Å; M217-R219 HydrophobicContact CE-CG 3.93Å; M217-R219 HydrophobicContact CG-CG 4.24Å; R219-S228 WeakPolarHBondContact CB-O 3.22Å; R219-S228 WeakPolarHBondContact O-CB 3.22Å; R219-N229 PolarHBondContact NH1-OD1 2.85Å; R219-N229 PolarHBondContact NH2-OD1 3.34Å; R219-N229 VanDerWaalsContact NH2-OD1 3.11Å; R219-V235 CarbonylContact C-O 3.57Å; R219-V235 WeakPolarHBondContact CA-O 3.34Å; R219-D264 IonicContact CZ-OD1 2.86Å; R219-D264 IonicContact CZ-OD2 3.35Å; R219-D264 IonicContact NH2-OD1 2.65Å; R219-D264 PolarHBondContact NH2-OD1 3.5Å; R219-D264 IonicContact NH2-OD2 3.48Å; R219-D264 PolarHBondContact NH2-OD2 2.65Å
220C87.4Confident85.1Confident29 Ų2942.4 Ų42.420%0.19625%0.251CS..EExtended strand (participates in β ladder)trans-128.2136.8179.2-62.30000110.6G201 G234 V235G201-C220 CarbonylContact O-C 3.5Å; G201-C220 WeakPolarHBondContact O-CA 2.98Å; C220-G234 CarbonylContact O-C 3.53Å; C220-G234 WeakPolarHBondContact O-CA 3.41Å; C220-V235 PolarHBondContact N-O 3.31Å; C220-V235 PolarHBondContact O-N 3.18Å
221S87.7Confident83.5Confident26 Ų2642.7 Ų42.718%0.18225%0.247CC..  trans-66.2147.7167.2-178.80000110.7G201 D223 R225G201-S221 PolarHBondContact O-N 3.28Å; S221-D223 PolarHBondContact OG-OD1 3.11Å; S221-R225 WeakPolarHBondContact CB-O 3.34Å; S221-R225 PolarHBondContact OG-N 2.87Å; S221-R225 PolarHBondContact OG-O 3.29Å
222T82.2Confident81.9Confident88 Ų8844.1 Ų44.154%0.5425%0.248SC..SBendtrans-109.1-7.2-178.648.50000113.5G233 V235T222-G233 WeakPolarHBondContact CG2-O 3.48Å; T222-G233 PolarHBondContact OG1-O 3.32Å; T222-V235 HydrophobicContact CG2-CB 4.45Å; T222-V235 HydrophobicContact CG2-CG2 3.57Å
223D79.7Confident80.3Confident78 Ų7839.4 Ų39.442%0.41724%0.241SC..SBendtrans-126.914.9-171.459.519000113S221 R225S221-D223 PolarHBondContact OG-OD1 3.11Å; D223-R225 VanDerWaalsContact CG-NE 3.29Å; D223-R225 PolarHBondContact O-N 2.63Å; D223-R225 WeakPolarHBondContact OD1-CB 3.35Å; D223-R225 VanDerWaalsContact OD1-CG 3.25Å; D223-R225 WeakPolarHBondContact OD1-CG 3.03Å; D223-R225 PolarHBondContact OD1-N 3.38Å; D223-R225 IonicContact OD1-NE 2.96Å; D223-R225 PolarHBondContact OD1-NE 3.38Å; D223-R225 IonicContact OD2-CZ 3.03Å; D223-R225 IonicContact OD2-NE 4Å; D223-R225 PolarHBondContact OD2-NE 2.71Å; D223-R225 IonicContact OD2-NH2 2.88Å; D223-R225 PolarHBondContact OD2-NH2 3.47Å
224G76.6Confident79.2Confident62 Ų6237.7 Ų37.764%0.63923%0.231SC*.SBendtrans74.47.2179.800000114.5H200H200-G224 PolarHBondContact NE2-O 2.92Å; H200-G224 VanDerWaalsContact NE2-O 3.14Å
225R80.4Confident78.6Confident121 Ų12137.4 Ų37.446%0.45723%0.229SC..  trans-76.7152.4171.1-66.4-173.6-75.4-172.6-4.4111.7G201 S221 D223 Q227G201-R225 WeakPolarHBondContact CA-O 3.43Å; S221-R225 WeakPolarHBondContact CB-O 3.34Å; S221-R225 PolarHBondContact OG-N 2.87Å; S221-R225 PolarHBondContact OG-O 3.29Å; D223-R225 VanDerWaalsContact CG-NE 3.29Å; D223-R225 PolarHBondContact O-N 2.63Å; D223-R225 WeakPolarHBondContact OD1-CB 3.35Å; D223-R225 VanDerWaalsContact OD1-CG 3.25Å; D223-R225 WeakPolarHBondContact OD1-CG 3.03Å; D223-R225 PolarHBondContact OD1-N 3.38Å; D223-R225 IonicContact OD1-NE 2.96Å; D223-R225 PolarHBondContact OD1-NE 3.38Å; D223-R225 IonicContact OD2-CZ 3.03Å; D223-R225 IonicContact OD2-NE 4Å; D223-R225 PolarHBondContact OD2-NE 2.71Å; D223-R225 IonicContact OD2-NH2 2.88Å; D223-R225 PolarHBondContact OD2-NH2 3.47Å; R225-Q227 VanDerWaalsContact C-N 3.26Å; R225-Q227 PolarHBondContact O-N 3.09Å
226M85.4Confident78.1Confident28 Ų2836.7 Ų36.714%0.13822%0.222CC..SBendtrans-60.8-33.3177.4177.9-171.369.900112.8V156 V168 L170 Y195 G201 S228V156-M226 HydrophobicContact CG1-CE 3.84Å; V156-M226 HydrophobicContact CG1-SD 4.5Å; V156-M226 HydrophobicContact CG2-CE 4.13Å; V156-M226 HydrophobicContact CG2-SD 3.7Å; V168-M226 HydrophobicContact CG1-CE 3.62Å; L170-M226 HydrophobicContact CB-CE 4.39Å; L170-M226 HydrophobicContact CB-SD 4.21Å; L170-M226 HydrophobicContact CD1-SD 3.94Å; L170-M226 HydrophobicContact CG-SD 4.48Å; Y195-M226 HydrophobicContact CD2-SD 3.8Å; Y195-M226 HydrophobicContact CE2-CG 3.89Å; Y195-M226 HydrophobicContact CE2-SD 3.48Å; Y195-M226 WeakPolarHBondContact CE2-SD 3.45Å; G201-M226 WeakPolarHBondContact CA-O 3.47Å; G201-M226 PolarHBondContact N-O 2.64Å; M226-S228 PolarHBondContact O-N 2.88Å
227Q78.8Confident77.7Confident38 Ų3840 Ų4018%0.17824%0.237CC..  trans-77.9113.9-175.9-56.481.4-4.800110.5V168 R225 L232V168-Q227 HydrophobicContact CB-CG 4.35Å; V168-Q227 HydrophobicContact CG1-CG 4.23Å; V168-Q227 PolarHBondContact O-NE2 2.86Å; R225-Q227 VanDerWaalsContact C-N 3.26Å; R225-Q227 PolarHBondContact O-N 3.09Å; Q227-L232 HydrophobicContact CB-CD1 3.8Å; Q227-L232 HydrophobicContact CG-CD1 4.25Å
228S70.7Confident77.6Confident9 Ų944.9 Ų44.96%0.06326%0.261CS..  trans-84.4-9.2178.346.70000114.8G201 D203 R219 M226 C230G201-S228 WeakPolarHBondContact O-CB 3.37Å; D203-S228 WeakPolarHBondContact OD1-CB 3.47Å; D203-S228 PolarHBondContact OD1-OG 2.84Å; R219-S228 WeakPolarHBondContact CB-O 3.22Å; R219-S228 WeakPolarHBondContact O-CB 3.22Å; M226-S228 PolarHBondContact O-N 2.88Å; S228-C230 PolarHBondContact O-N 2.86Å
229N68.1Low77.4Confident24 Ų2444.5 Ų44.513%0.12826%0.262CS..  trans-56129.3-172.6-72.7-23000112.3G165 R219 S231 L232G165-N229 PolarHBondContact N-ND2 2.84Å; R219-N229 PolarHBondContact NH1-OD1 2.85Å; R219-N229 PolarHBondContact NH2-OD1 3.34Å; R219-N229 VanDerWaalsContact NH2-OD1 3.11Å; N229-S231 PolarHBondContact O-N 2.7Å; N229-L232 PolarHBondContact O-N 3.14Å
230C56.8Low77.4Confident4 Ų450 Ų503%0.02730%0.301CS..G310 helixtrans-64-15.1-177.7-380000113.4S228 L232 G233 G234 Q284S228-C230 PolarHBondContact O-N 2.86Å; C230-L232 PolarHBondContact O-N 3.09Å; C230-G233 PolarHBondContact O-N 2.85Å; C230-G234 VanDerWaalsContact CA-O 3.31Å; C230-G234 WeakPolarHBondContact CA-O 3.44Å; C230-G234 WeakPolarHBondContact CB-O 3.12Å; C230-Q284 VanDerWaalsContact C-NE2 3.33Å; C230-Q284 HydrophobicContact CB-CG 4.32Å
231S58Low77.7Confident49 Ų4949.3 Ų49.334%0.34330%0.295SS..G310 helixtrans-69.1-20.2174.551.10000112.7R164 N229R164-S231 WeakPolarHBondContact CB-OG 3.22Å; R164-S231 PolarHBondContact O-OG 2.86Å; R164-S231 VanDerWaalsContact O-OG 3.1Å; N229-S231 PolarHBondContact O-N 2.7Å
232L59.6Low78.1Confident56 Ų5650.6 Ų50.629%0.29330%0.304SS..G310 helixtrans-104.414178.2-63177.6000112.6Q227 N229 C230Q227-L232 HydrophobicContact CB-CD1 3.8Å; Q227-L232 HydrophobicContact CG-CD1 4.25Å; N229-L232 PolarHBondContact O-N 3.14Å; C230-L232 PolarHBondContact O-N 3.09Å
233G63.6Low78.8Confident33 Ų3352 Ų5234%0.3431%0.305SS..THydrogen-bonded Turntrans97.20.3-179.200000114.7T222 C230T222-G233 WeakPolarHBondContact CG2-O 3.48Å; T222-G233 PolarHBondContact OG1-O 3.32Å; C230-G233 PolarHBondContact O-N 2.85Å
234G73.2Confident79.6Confident3 Ų353.9 Ų53.93%0.03131%0.311CS..  trans-61.6158170.300000113C220 C230C220-G234 CarbonylContact O-C 3.53Å; C220-G234 WeakPolarHBondContact O-CA 3.41Å; C230-G234 VanDerWaalsContact CA-O 3.31Å; C230-G234 WeakPolarHBondContact CA-O 3.44Å; C230-G234 WeakPolarHBondContact CB-O 3.12Å
235V79.1Confident80.6Confident43 Ų4351 Ų5126%0.26128%0.281SS..EExtended strand (participates in β ladder)trans-107133.9178.2177.10000109R219 C220 T222 M237R219-V235 CarbonylContact C-O 3.57Å; R219-V235 WeakPolarHBondContact CA-O 3.34Å; C220-V235 PolarHBondContact N-O 3.31Å; C220-V235 PolarHBondContact O-N 3.18Å; T222-V235 HydrophobicContact CG2-CB 4.45Å; T222-V235 HydrophobicContact CG2-CG2 3.57Å; V235-M237 HydrophobicContact CG1-CG 4.25Å
236G83.3Confident81.5Confident2 Ų248.1 Ų48.12%0.02127%0.272CS..EExtended strand (participates in β ladder)trans-105.8129.917500000110.7L218L218-G236 CarbonylContact O-C 3.53Å; L218-G236 WeakPolarHBondContact O-CA 3.48Å
237M86.4Confident82.1Confident85 Ų8552 Ų5242%0.41929%0.29SS..EExtended strand (participates in β ladder)trans-125.9136.6176.1-63.5178.5-68.900109.6M217 L218 V235 C239M217-M237 CarbonylContact C-O 3.59Å; M217-M237 WeakPolarHBondContact CA-O 3.45Å; L218-M237 HydrophobicContact CD2-CE 4.45Å; L218-M237 PolarHBondContact N-O 3.01Å; L218-M237 PolarHBondContact O-N 3.36Å; V235-M237 HydrophobicContact CG1-CG 4.25Å; M237-C239 PolarHBondContact O-N 3.33Å
238M88.7Confident83Confident118 Ų11850.9 Ų50.958%0.58129%0.285SS*.EExtended strand (participates in β ladder)trans-59.4132.1171-64.7-59.1-6500109.1T216T216-M238 WeakPolarHBondContact O-CE 3.16Å
239C88.3Confident84.3Confident35 Ų3550.4 Ų50.424%0.23628%0.282CS..  trans-133154.6179.571.90000110.3T216 L218 M237T216-C239 PolarHBondContact O-N 3.34Å; T216-C239 PolarHBondContact OG1-O 3.28Å; L218-C239 HydrophobicContact CB-CB 3.94Å; L218-C239 PolarHBondContact N-SG 3.45Å; M237-C239 PolarHBondContact O-N 3.33Å
240S91.1Very high85.8Confident119 Ų11950.7 Ų50.783%0.83228%0.283SS*.  trans-75.1146.6160.749.30000109.2
241L94.6Very high87.8Confident14 Ų1454 Ų547%0.07330%0.298CS..  trans-118143172.4-175.363.4000108.6V204 V206 T216 K246 L265 F273V204-L241 HydrophobicContact CG1-CD1 4.23Å; V206-L241 HydrophobicContact CG1-CD2 4.24Å; V206-L241 HydrophobicContact CG2-CD2 3.48Å; V206-L241 VanDerWaalsContact CG2-CD2 3.48Å; T216-L241 HydrophobicContact CG2-CB 3.79Å; T216-L241 HydrophobicContact CG2-CD2 3.87Å; T216-L241 HydrophobicContact CG2-CG 4.49Å; L241-K246 HydrophobicContact CB-CG 4.31Å; L241-K246 HydrophobicContact CD2-CG 4.15Å; L241-K246 HydrophobicContact CG-CG 4.32Å; L241-K246 VanDerWaalsContact O-CE 3.3Å; L241-K246 WeakPolarHBondContact O-CE 3.31Å; L241-L265 HydrophobicContact CD2-CD1 4.24Å; L241-F273 HydrophobicContact CD1-CE1 3.85Å; L241-F273 HydrophobicContact CD1-CE2 4.03Å; L241-F273 HydrophobicContact CD1-CZ 3.48Å; L241-F273 VanDerWaalsContact CD1-CZ 3.48Å
242S96.3Very high89.7Confident54 Ų5451.7 Ų51.738%0.37828%0.281SS..  trans-62.5156.8175.166.20000111.1Q244 G245 K246 F273S242-Q244 PolarHBondContact O-N 3.1Å; S242-G245 PolarHBondContact O-N 3.33Å; S242-G245 VanDerWaalsContact O-N 3.08Å; S242-G245 PolarHBondContact OG-N 3.49Å; S242-K246 PolarHBondContact O-N 3Å; S242-F273 WeakPolarHBondContact OG-CE2 3.37Å
243E96.8Very high91.5Very high117 Ų11749 Ų4955%0.54727%0.268SS..Hα-helixtrans-58.8-36.3176.3-68.1-52.3125.600111.8G245 K246 Q247E243-G245 PolarHBondContact O-N 3.25Å; E243-K246 PolarHBondContact O-N 3.29Å; E243-K246 IonicContact OE1-NZ 2.97Å; E243-K246 PolarHBondContact OE1-NZ 3.08Å; E243-Q247 WeakPolarHBondContact O-CB 3.3Å; E243-Q247 VanDerWaalsContact O-CG 3.29Å; E243-Q247 WeakPolarHBondContact O-CG 3.03Å; E243-Q247 PolarHBondContact O-N 3.12Å
244Q96.4Very high93.2Very high118 Ų11852.2 Ų52.255%0.55128%0.277SS*.Hα-helixtrans-57-47.5173.2-174.7-172.911.800112.1S242 Q247 L248S242-Q244 PolarHBondContact O-N 3.1Å; Q244-Q247 PolarHBondContact O-N 3.37Å; Q244-L248 WeakPolarHBondContact O-CB 3.39Å; Q244-L248 PolarHBondContact O-N 3.16Å
245G97.5Very high94.3Very high0 Ų053.9 Ų53.90%029%0.285CS..Hα-helixtrans-66.3-37.4178.400000112.8S242 E243 A249S242-G245 PolarHBondContact O-N 3.33Å; S242-G245 VanDerWaalsContact O-N 3.08Å; S242-G245 PolarHBondContact OG-N 3.49Å; E243-G245 PolarHBondContact O-N 3.25Å; G245-A249 PolarHBondContact O-N 3.15Å; G245-A249 VanDerWaalsContact O-N 3.07Å
246K98.1Very high95.2Very high61 Ų6151.9 Ų51.927%0.26527%0.272SS..Hα-helixtrans-65.1-47.4175.4-67.2178.5-170.6165.50111.8V213 L241 S242 E243 L248 A249 I250V213-K246 HydrophobicContact CB-CG 4.38Å; V213-K246 HydrophobicContact CG1-CG 4.39Å; V213-K246 HydrophobicContact CG2-CB 3.89Å; V213-K246 HydrophobicContact CG2-CG 4.09Å; L241-K246 HydrophobicContact CB-CG 4.31Å; L241-K246 HydrophobicContact CD2-CG 4.15Å; L241-K246 HydrophobicContact CG-CG 4.32Å; L241-K246 VanDerWaalsContact O-CE 3.3Å; L241-K246 WeakPolarHBondContact O-CE 3.31Å; S242-K246 PolarHBondContact O-N 3Å; E243-K246 PolarHBondContact O-N 3.29Å; E243-K246 IonicContact OE1-NZ 2.97Å; E243-K246 PolarHBondContact OE1-NZ 3.08Å; K246-L248 VanDerWaalsContact C-N 3.32Å; K246-L248 PolarHBondContact O-N 3.03Å; K246-A249 PolarHBondContact O-N 3.44Å; K246-I250 WeakPolarHBondContact O-CG1 3.46Å; K246-I250 PolarHBondContact O-N 3.1Å
247Q98.3Very high95.8Very high110 Ų11052.7 Ų52.751%0.51428%0.281SS..Hα-helixtrans-63.2-40.1178.5-69.6-58.1-23.400111.4E243 Q244 A249 I250 Q251E243-Q247 WeakPolarHBondContact O-CB 3.3Å; E243-Q247 VanDerWaalsContact O-CG 3.29Å; E243-Q247 WeakPolarHBondContact O-CG 3.03Å; E243-Q247 PolarHBondContact O-N 3.12Å; Q244-Q247 PolarHBondContact O-N 3.37Å; Q247-A249 PolarHBondContact O-N 3.13Å; Q247-I250 PolarHBondContact O-N 3.44Å; Q247-Q251 VanDerWaalsContact O-CB 3.32Å; Q247-Q251 WeakPolarHBondContact O-CB 3.49Å; Q247-Q251 PolarHBondContact O-N 2.91Å
248L98.5Very high96.3Very high14 Ų1449 Ų497%0.07326%0.263CS..Hα-helixtrans-58.4-46.4173.1177.658.9000111.7V127 P128 Q244 K246 I250 Q251 V252 L265 F273 V275V127-L248 HydrophobicContact CG1-CD1 4.12Å; P128-L248 HydrophobicContact CG-CD1 4.04Å; P128-L248 HydrophobicContact CG-CD2 3.94Å; Q244-L248 WeakPolarHBondContact O-CB 3.39Å; Q244-L248 PolarHBondContact O-N 3.16Å; K246-L248 VanDerWaalsContact C-N 3.32Å; K246-L248 PolarHBondContact O-N 3.03Å; L248-I250 PolarHBondContact O-N 3.47Å; L248-Q251 PolarHBondContact O-N 3.04Å; L248-V252 HydrophobicContact CD1-CG2 4.23Å; L248-V252 WeakPolarHBondContact O-CG2 3.35Å; L248-V252 PolarHBondContact O-N 2.87Å; L248-L265 HydrophobicContact CD2-CD2 3.86Å; L248-L265 HydrophobicContact CG-CD2 4.26Å; L248-F273 HydrophobicContact CD2-CB 3.86Å; L248-V275 HydrophobicContact CD1-CG2 4.02Å; L248-V275 HydrophobicContact CD2-CG2 4.15Å; L248-V275 HydrophobicContact CG-CG2 4.12Å
249A98.4Very high96.6Very high0 Ų044.4 Ų44.40%024%0.241CC..Hα-helixtrans-64.1-39.4178.700000112.8V206 V208 G245 K246 Q247 V252 S253 I263V206-A249 HydrophobicContact CB-CB 3.87Å; V206-A249 HydrophobicContact CG1-CB 3.58Å; V206-A249 HydrophobicContact CG2-CB 4.22Å; V208-A249 HydrophobicContact CG2-CB 4Å; G245-A249 PolarHBondContact O-N 3.15Å; G245-A249 VanDerWaalsContact O-N 3.07Å; K246-A249 PolarHBondContact O-N 3.44Å; Q247-A249 PolarHBondContact O-N 3.13Å; A249-V252 PolarHBondContact O-N 2.83Å; A249-S253 PolarHBondContact O-N 3.32Å; A249-I263 HydrophobicContact CB-CB 4.21Å; A249-I263 HydrophobicContact CB-CG1 4.24Å
250I98.5Very high96.9Very high30 Ų3043.9 Ų43.915%0.15424%0.236CC..Hα-helixtrans-67.3-41.9175.7-66.6165.6000110.9V213 K246 Q247 L248 V252 S253 N254V213-I250 HydrophobicContact CG2-CD1 4.17Å; V213-I250 HydrophobicContact CG2-CG1 4.04Å; K246-I250 WeakPolarHBondContact O-CG1 3.46Å; K246-I250 PolarHBondContact O-N 3.1Å; Q247-I250 PolarHBondContact O-N 3.44Å; L248-I250 PolarHBondContact O-N 3.47Å; I250-V252 VanDerWaalsContact C-N 3.35Å; I250-V252 PolarHBondContact O-N 3.36Å; I250-S253 WeakPolarHBondContact CA-OG 3.38Å; I250-S253 PolarHBondContact O-N 3.3Å; I250-S253 PolarHBondContact O-OG 3Å; I250-N254 WeakPolarHBondContact O-CB 3.3Å; I250-N254 PolarHBondContact O-N 3.22Å; I250-N254 PolarHBondContact O-ND2 3.05Å; I250-N254 PolarHBondContact O-OD1 3.14Å
251Q98.5Very high97Very high73 Ų7338.2 Ų38.234%0.34120%0.197SC..Hα-helixtrans-59.4-47.5175.9-178.7-1762.400110.7H125 V127 Q247 L248 S253 N254 I255H125-Q251 PolarHBondContact O-NE2 2.85Å; V127-Q251 HydrophobicContact CG2-CG 4.42Å; Q247-Q251 VanDerWaalsContact O-CB 3.32Å; Q247-Q251 WeakPolarHBondContact O-CB 3.49Å; Q247-Q251 PolarHBondContact O-N 2.91Å; L248-Q251 PolarHBondContact O-N 3.04Å; Q251-S253 PolarHBondContact O-N 2.91Å; Q251-N254 PolarHBondContact O-N 3.29Å; Q251-I255 HydrophobicContact CG-CD1 3.84Å; Q251-I255 WeakPolarHBondContact O-CG1 3.11Å; Q251-I255 PolarHBondContact O-N 2.65Å
252V98.4Very high97Very high0 Ų037.5 Ų37.50%019%0.193CC..Hα-helixtrans-60.6-44.9177171.60000111.2L122 V127 L248 A249 I250 N254 I255 L256 I263 V275L122-V252 HydrophobicContact CD1-CG1 4.22Å; L122-V252 HydrophobicContact CD2-CB 4.29Å; L122-V252 HydrophobicContact CD2-CG1 4.01Å; L122-V252 HydrophobicContact CD2-CG2 4.16Å; V127-V252 HydrophobicContact CG1-CG2 3.98Å; V127-V252 HydrophobicContact CG2-CG2 4.49Å; L248-V252 HydrophobicContact CD1-CG2 4.23Å; L248-V252 WeakPolarHBondContact O-CG2 3.35Å; L248-V252 PolarHBondContact O-N 2.87Å; A249-V252 PolarHBondContact O-N 2.83Å; I250-V252 VanDerWaalsContact C-N 3.35Å; I250-V252 PolarHBondContact O-N 3.36Å; V252-N254 VanDerWaalsContact C-N 3.29Å; V252-N254 PolarHBondContact O-N 3.1Å; V252-I255 PolarHBondContact O-N 3.2Å; V252-L256 HydrophobicContact CG1-CD1 3.7Å; V252-L256 WeakPolarHBondContact O-CB 3.26Å; V252-L256 WeakPolarHBondContact O-CG 3.36Å; V252-L256 PolarHBondContact O-N 2.55Å; V252-L256 VanDerWaalsContact O-N 3.07Å; V252-I263 HydrophobicContact CB-CD1 4.37Å; V252-I263 HydrophobicContact CB-CG1 4.46Å; V252-I263 HydrophobicContact CB-CG2 4.43Å; V252-I263 HydrophobicContact CG1-CD1 3.58Å; V252-I263 HydrophobicContact CG1-CG1 4.15Å; V252-I263 HydrophobicContact CG1-CG2 4.14Å; V252-V275 HydrophobicContact CG1-CG1 4.49Å; V252-V275 HydrophobicContact CG2-CG1 4.41Å; V252-V275 HydrophobicContact CG2-CG2 3.59Å
253S98.1Very high97.1Very high0 Ų035 Ų350%018%0.175CC..Hα-helixtrans-61.9-39.2177.866.80000112.1A249 I250 Q251 G257 M258 C261A249-S253 PolarHBondContact O-N 3.32Å; I250-S253 WeakPolarHBondContact CA-OG 3.38Å; I250-S253 PolarHBondContact O-N 3.3Å; I250-S253 PolarHBondContact O-OG 3Å; Q251-S253 PolarHBondContact O-N 2.91Å; S253-G257 PolarHBondContact O-N 2.92Å; S253-M258 PolarHBondContact O-N 3.23Å; S253-C261 WeakPolarHBondContact CB-SG 3.48Å
254N97.9Very high97Very high101 Ų10129.5 Ų29.554%0.5415%0.15SC..Hα-helixtrans-68.7-45.7-179.9-69.3-14000112I250 Q251 V252 L256 G257I250-N254 WeakPolarHBondContact O-CB 3.3Å; I250-N254 PolarHBondContact O-N 3.22Å; I250-N254 PolarHBondContact O-ND2 3.05Å; I250-N254 PolarHBondContact O-OD1 3.14Å; Q251-N254 PolarHBondContact O-N 3.29Å; V252-N254 VanDerWaalsContact C-N 3.29Å; V252-N254 PolarHBondContact O-N 3.1Å; N254-L256 VanDerWaalsContact C-N 3.33Å; N254-L256 PolarHBondContact O-N 3.3Å; N254-G257 PolarHBondContact O-N 3.01Å; N254-G257 VanDerWaalsContact O-N 3.09Å
255I98.1Very high97.1Very high38 Ų3823.9 Ų23.920%0.19512%0.124CC..Hα-helixtrans-59.9-45.9177.3-66.9161.1000110.2E121 L122 H125 V127 Q251 V252 G257E121-I255 WeakPolarHBondContact O-CG2 3.22Å; L122-I255 HydrophobicContact CD2-CB 4.05Å; L122-I255 HydrophobicContact CD2-CD1 4.04Å; L122-I255 HydrophobicContact CD2-CG2 3.92Å; H125-I255 HydrophobicContact CB-CD1 3.51Å; H125-I255 HydrophobicContact CB-CG1 4.33Å; V127-I255 HydrophobicContact CG2-CD1 3.61Å; Q251-I255 HydrophobicContact CG-CD1 3.84Å; Q251-I255 WeakPolarHBondContact O-CG1 3.11Å; Q251-I255 PolarHBondContact O-N 2.65Å; V252-I255 PolarHBondContact O-N 3.2Å; I255-G257 PolarHBondContact O-N 3.34Å
256L97.1Very high97.1Very high0 Ų025 Ų250%013%0.129CC..THydrogen-bonded Turntrans-76.1-6.8179.8-62.2172.7000113.1A108 N111 T118 E121 L122 V252 N254 M258 A278A108-L256 WeakPolarHBondContact CA-O 3.44Å; A108-L256 VanDerWaalsContact CB-O 3.29Å; A108-L256 WeakPolarHBondContact CB-O 3.32Å; N111-L256 HydrophobicContact CB-CD2 4.13Å; T118-L256 HydrophobicContact CG2-CD1 3.78Å; T118-L256 HydrophobicContact CG2-CD2 4.13Å; E121-L256 HydrophobicContact CB-CD2 3.67Å; E121-L256 HydrophobicContact CG-CD2 4.27Å; L122-L256 HydrophobicContact CD2-CD1 4.37Å; L122-L256 HydrophobicContact CD2-CD2 4.37Å; L122-L256 HydrophobicContact CD2-CG 4.12Å; L122-L256 HydrophobicContact CG-CD2 4.4Å; V252-L256 HydrophobicContact CG1-CD1 3.7Å; V252-L256 WeakPolarHBondContact O-CB 3.26Å; V252-L256 WeakPolarHBondContact O-CG 3.36Å; V252-L256 PolarHBondContact O-N 2.55Å; V252-L256 VanDerWaalsContact O-N 3.07Å; N254-L256 VanDerWaalsContact C-N 3.33Å; N254-L256 PolarHBondContact O-N 3.3Å; L256-M258 VanDerWaalsContact C-N 3.32Å; L256-M258 HydrophobicContact CB-CE 3.82Å; L256-M258 HydrophobicContact CB-CG 4.13Å; L256-M258 HydrophobicContact CD1-CE 3.57Å; L256-M258 HydrophobicContact CG-CE 4.33Å; L256-M258 PolarHBondContact O-N 2.96Å; L256-A278 HydrophobicContact CD1-CB 3.56Å
257G96.1Very high97Very high20 Ų2023.9 Ų23.921%0.20613%0.126CC..THydrogen-bonded Turntrans62.135.3-178.800000113.7A108 S253 N254 I255A108-G257 WeakPolarHBondContact CB-O 3.36Å; S253-G257 PolarHBondContact O-N 2.92Å; N254-G257 PolarHBondContact O-N 3.01Å; N254-G257 VanDerWaalsContact O-N 3.09Å; I255-G257 PolarHBondContact O-N 3.34Å
258M95.7Very high96.8Very high6 Ų622.4 Ų22.43%0.0312%0.118CC..  trans-94.7130.6179.4-66.7-172.8-69.800111.7A108 C112 S253 L256 C261 I263 A278 A280A108-M258 HydrophobicContact CB-CG 4.06Å; C112-M258 PolarHBondContact SG-SD 2.71Å; S253-M258 PolarHBondContact O-N 3.23Å; L256-M258 VanDerWaalsContact C-N 3.32Å; L256-M258 HydrophobicContact CB-CE 3.82Å; L256-M258 HydrophobicContact CB-CG 4.13Å; L256-M258 HydrophobicContact CD1-CE 3.57Å; L256-M258 HydrophobicContact CG-CE 4.33Å; L256-M258 PolarHBondContact O-N 2.96Å; M258-C261 HydrophobicContact CB-CB 3.81Å; M258-C261 HydrophobicContact CE-CB 3.33Å; M258-C261 VanDerWaalsContact CE-SG 3.57Å; M258-C261 HydrophobicContact CG-CB 4.2Å; M258-C261 HydrophobicContact SD-CB 3.29Å; M258-C261 WeakPolarHBondContact SD-CB 3.09Å; M258-I263 HydrophobicContact CE-CD1 3.79Å; M258-A278 HydrophobicContact CE-CB 3.99Å; M258-A280 HydrophobicContact SD-CB 4.16Å
259D95.8Very high96.5Very high23 Ų2328.1 Ų28.112%0.12315%0.148CC..SBendtrans-83-36.6172-60.4-65.5000112.6R101 M103 N104 V209 G210R101-D259 IonicContact CZ-OD1 2.69Å; R101-D259 IonicContact CZ-OD2 3.02Å; R101-D259 IonicContact NH1-OD1 3.23Å; R101-D259 IonicContact NH1-OD2 3.96Å; R101-D259 PolarHBondContact NH1-OD2 3.33Å; R101-D259 VanDerWaalsContact NH2-CG 3.29Å; R101-D259 IonicContact NH2-OD1 3.41Å; R101-D259 PolarHBondContact NH2-OD1 3Å; R101-D259 IonicContact NH2-OD2 2.89Å; R101-D259 PolarHBondContact NH2-OD2 2.83Å; M103-D259 HydrophobicContact CB-CB 4.15Å; M103-D259 HydrophobicContact CE-CB 3.68Å; M103-D259 HydrophobicContact CG-CB 4.13Å; N104-D259 WeakPolarHBondContact OD1-CA 3.45Å; N104-D259 PolarHBondContact OD1-N 3.1Å; V209-D259 CarbonylContact C-O 3.57Å; V209-D259 VanDerWaalsContact CA-O 3.24Å; V209-D259 WeakPolarHBondContact CA-O 3.38Å; G210-D259 PolarHBondContact N-O 2.77Å
260V94.1Very high96.2Very high23 Ų2334 Ų3414%0.13918%0.18CC..EExtended strand (participates in β ladder)trans-133.1113.4-179.8179.70000108.2N104 V208 V209 P282N104-V260 PolarHBondContact ND2-O 2.88Å; N104-V260 PolarHBondContact OD1-N 3.47Å; V208-V260 WeakPolarHBondContact O-CA 2.79Å; V209-V260 HydrophobicContact CG1-CG2 4.29Å; V209-V260 HydrophobicContact CG2-CG1 4.29Å; V209-V260 HydrophobicContact CG2-CG2 4.43Å; V260-P282 HydrophobicContact CG1-CG 4.01Å
261C94.6Very high95.8Very high0 Ų034.7 Ų34.70%019%0.194CC..EExtended strand (participates in β ladder)trans-151.1162.6-177.765.40000114.5I207 V208 S253 M258 I263 N279 P282I207-C261 WeakPolarHBondContact CA-O 3.31Å; V208-C261 PolarHBondContact N-O 2.87Å; V208-C261 PolarHBondContact O-N 2.83Å; S253-C261 WeakPolarHBondContact CB-SG 3.48Å; M258-C261 HydrophobicContact CB-CB 3.81Å; M258-C261 HydrophobicContact CE-CB 3.33Å; M258-C261 VanDerWaalsContact CE-SG 3.57Å; M258-C261 HydrophobicContact CG-CB 4.2Å; M258-C261 HydrophobicContact SD-CB 3.29Å; M258-C261 WeakPolarHBondContact SD-CB 3.09Å; C261-I263 HydrophobicContact CB-CD1 4.34Å; C261-N279 CarbonylContact C-O 3.54Å; C261-N279 VanDerWaalsContact CA-O 3.24Å; C261-N279 WeakPolarHBondContact CA-O 3.5Å; C261-N279 WeakPolarHBondContact CB-O 3.47Å; C261-P282 VanDerWaalsContact C-CG 3.46Å
262G94.8Very high95.7Very high0 Ų032.1 Ų32.10%018%0.184CC..EExtended strand (participates in β ladder)trans-117.9114.1173.900000109.2R205 V206 N279 P282R205-G262 PolarHBondContact NH1-O 3.34Å; R205-G262 VanDerWaalsContact NH1-O 3.16Å; V206-G262 CarbonylContact O-C 3.5Å; V206-G262 VanDerWaalsContact O-CA 3.27Å; V206-G262 WeakPolarHBondContact O-CA 3.06Å; G262-N279 PolarHBondContact N-O 3.39Å; G262-N279 PolarHBondContact O-N 3.37Å; G262-P282 VanDerWaalsContact N-CB 3.34Å
263I96.8Very high95.7Very high0 Ų033.1 Ų33.10%019%0.189CC..EExtended strand (participates in β ladder)trans-100.4124.2178.4-51-50.5000108.4V206 A249 V252 M258 C261 L265 V275 A278V206-I263 HydrophobicContact CB-CB 4.49Å; V206-I263 PolarHBondContact N-O 3.39Å; V206-I263 PolarHBondContact O-N 3.47Å; A249-I263 HydrophobicContact CB-CB 4.21Å; A249-I263 HydrophobicContact CB-CG1 4.24Å; V252-I263 HydrophobicContact CB-CD1 4.37Å; V252-I263 HydrophobicContact CB-CG1 4.46Å; V252-I263 HydrophobicContact CB-CG2 4.43Å; V252-I263 HydrophobicContact CG1-CD1 3.58Å; V252-I263 HydrophobicContact CG1-CG1 4.15Å; V252-I263 HydrophobicContact CG1-CG2 4.14Å; M258-I263 HydrophobicContact CE-CD1 3.79Å; C261-I263 HydrophobicContact CB-CD1 4.34Å; I263-L265 HydrophobicContact CG2-CD2 3.81Å; I263-L265 HydrophobicContact CG2-CG 4.43Å; I263-V275 HydrophobicContact CG2-CG1 4.14Å; I263-A278 HydrophobicContact CD1-CB 3.8Å
264D95.8Very high95.7Very high3 Ų333.2 Ų33.22%0.01619%0.189CC..EExtended strand (participates in β ladder)trans-94.5124174.8-70.9-25.5000109.6R205 R219 C276 E277R205-D264 WeakPolarHBondContact CD-OD1 3.09Å; R205-D264 IonicContact CZ-OD1 3.38Å; R205-D264 IonicContact CZ-OD2 3.38Å; R205-D264 IonicContact NE-OD1 3.45Å; R205-D264 PolarHBondContact NE-OD1 3.19Å; R205-D264 IonicContact NE-OD2 2.71Å; R205-D264 IonicContact NH1-OD1 3.72Å; R205-D264 PolarHBondContact NH1-OD1 2.74Å; R205-D264 IonicContact NH1-OD2 3.29Å; R205-D264 PolarHBondContact NH1-OD2 3.31Å; R205-D264 IonicContact NH2-OD1 2.73Å; R205-D264 PolarHBondContact NH2-OD1 3.1Å; R205-D264 IonicContact NH2-OD2 2.63Å; R205-D264 PolarHBondContact NH2-OD2 3.19Å; R219-D264 IonicContact CZ-OD1 2.86Å; R219-D264 IonicContact CZ-OD2 3.35Å; R219-D264 IonicContact NH2-OD1 2.65Å; R219-D264 PolarHBondContact NH2-OD1 3.5Å; R219-D264 IonicContact NH2-OD2 3.48Å; R219-D264 PolarHBondContact NH2-OD2 2.65Å; D264-C276 HydrophobicContact CB-CB 3.98Å; D264-C276 WeakPolarHBondContact O-CB 3.2Å; D264-C276 PolarHBondContact O-N 2.95Å; D264-E277 HydrophobicContact CB-CB 4.16Å; D264-E277 PolarHBondContact N-O 3.03Å
265L97.7Very high95.7Very high0 Ų028.4 Ų28.40%016%0.163CC..EExtended strand (participates in β ladder)trans-112.3132.7-179.6-58.1-178.5000110.3D203 V204 V206 L241 L248 I263 F273 C274 V275D203-L265 WeakPolarHBondContact CA-O 3.4Å; D203-L265 WeakPolarHBondContact CB-O 3.42Å; V204-L265 HydrophobicContact CB-CB 4.49Å; V204-L265 PolarHBondContact N-O 3.47Å; V204-L265 PolarHBondContact O-N 2.73Å; V206-L265 HydrophobicContact CG2-CD1 3.73Å; V206-L265 HydrophobicContact CG2-CG 4.13Å; L241-L265 HydrophobicContact CD2-CD1 4.24Å; L248-L265 HydrophobicContact CD2-CD2 3.86Å; L248-L265 HydrophobicContact CG-CD2 4.26Å; I263-L265 HydrophobicContact CG2-CD2 3.81Å; I263-L265 HydrophobicContact CG2-CG 4.43Å; L265-F273 HydrophobicContact CB-CB 4.28Å; L265-F273 HydrophobicContact CB-CD1 3.85Å; L265-F273 HydrophobicContact CB-CG 4.38Å; L265-F273 HydrophobicContact CD1-CB 4.34Å; L265-F273 HydrophobicContact CD1-CD1 4.2Å; L265-F273 HydrophobicContact CD1-CG 4.23Å; L265-C274 WeakPolarHBondContact CA-O 3.44Å; L265-V275 HydrophobicContact CD2-CG2 4.04Å
266L97.1Very high95.5Very high23 Ų2327.4 Ų27.412%0.1216%0.16CC..EExtended strand (participates in β ladder)trans-90.9142.2166.8-56.6175.7000109.1P130 V196 S199 D203 F273 C274 C276P130-L266 HydrophobicContact CG-CD1 4.32Å; V196-L266 HydrophobicContact CB-CB 4.43Å; V196-L266 HydrophobicContact CB-CD1 3.97Å; V196-L266 HydrophobicContact CG1-CB 4.26Å; V196-L266 HydrophobicContact CG2-CD1 3.72Å; S199-L266 WeakPolarHBondContact OG-CA 3.32Å; D203-L266 HydrophobicContact CB-CD2 4.14Å; L266-F273 VanDerWaalsContact O-CA 3.22Å; L266-F273 WeakPolarHBondContact O-CA 3.21Å; L266-C274 PolarHBondContact N-O 3.3Å; L266-C274 PolarHBondContact O-N 3.14Å; L266-C276 HydrophobicContact CD1-CB 4.23Å; L266-C276 HydrophobicContact CD2-CB 4.13Å; L266-C276 HydrophobicContact CG-CB 3.83Å
267M96.1Very high95.3Very high38 Ų3829 Ų2919%0.18717%0.167CC..EExtended strand (participates in β ladder)trans-93.3144179.9-67.5155.5-68.200110.7S199 R202 V204 L218 F273S199-M267 WeakPolarHBondContact CB-O 3.43Å; S199-M267 PolarHBondContact N-O 3.05Å; S199-M267 PolarHBondContact OG-N 3.31Å; R202-M267 HydrophobicContact CB-CE 3.57Å; V204-M267 HydrophobicContact CG2-CE 4.48Å; V204-M267 HydrophobicContact CG2-CG 4.44Å; V204-M267 HydrophobicContact CG2-SD 3.98Å; L218-M267 HydrophobicContact CD1-CE 4.01Å; L218-M267 HydrophobicContact CD1-SD 4.17Å; M267-F273 HydrophobicContact CG-CD1 3.98Å; M267-F273 HydrophobicContact CG-CE1 3.57Å
268K95.1Very high95.2Very high79 Ų7928 Ų2834%0.34316%0.157SC..  trans-112.8162.4171.2-61.9-173.4-174.6175.90110.8V196 D270 G271 S272V196-K268 HydrophobicContact CG1-CG 4.43Å; K268-D270 WeakPolarHBondContact CB-OD1 3.43Å; K268-D270 PolarHBondContact O-N 3.45Å; K268-G271 PolarHBondContact O-N 3.02Å; K268-G271 VanDerWaalsContact O-N 3.08Å; K268-S272 PolarHBondContact N-O 3.34Å
269D92Very high95Very high134 Ų13429 Ų2972%0.71716%0.163SC*.THydrogen-bonded Turntrans-65.1-26.4-177.7-74.7-18.2000113.4E198 G271E198-D269 WeakPolarHBondContact CB-OD1 3.49Å; E198-D269 HydrophobicContact CG-CB 4.09Å; E198-D269 WeakPolarHBondContact CG-OD1 3.25Å; E198-D269 VanDerWaalsContact CG-OD2 3.32Å; E198-D269 WeakPolarHBondContact CG-OD2 3.26Å; D269-G271 PolarHBondContact O-N 3.4Å
270D92.4Very high94.7Very high123 Ų12328.1 Ų28.166%0.65816%0.159SC*.THydrogen-bonded Turntrans-77.52.7175.768.1-4.4000113.5K268 S272K268-D270 WeakPolarHBondContact CB-OD1 3.43Å; K268-D270 PolarHBondContact O-N 3.45Å; D270-S272 VanDerWaalsContact C-N 3.25Å; D270-S272 VanDerWaalsContact CG-OG 3.28Å; D270-S272 PolarHBondContact O-N 3.1Å; D270-S272 WeakPolarHBondContact OD1-CB 3.48Å; D270-S272 PolarHBondContact OD1-N 3.42Å; D270-S272 PolarHBondContact OD1-OG 2.75Å; D270-S272 PolarHBondContact OD2-OG 3.1Å
271G90.6Very high94.3Very high45 Ų4528.6 Ų28.646%0.46416%0.16SC..SBendtrans80.4-0.2-177.300000114.5K268 D269 F273K268-G271 PolarHBondContact O-N 3.02Å; K268-G271 VanDerWaalsContact O-N 3.08Å; D269-G271 PolarHBondContact O-N 3.4Å; G271-F273 WeakPolarHBondContact O-CE2 3.04Å
272S95.9Very high93.6Very high18 Ų1828.7 Ų28.713%0.12616%0.161CC..  trans-81.3174.2173.477.50000112K268 D270K268-S272 PolarHBondContact N-O 3.34Å; D270-S272 VanDerWaalsContact C-N 3.25Å; D270-S272 VanDerWaalsContact CG-OG 3.28Å; D270-S272 PolarHBondContact O-N 3.1Å; D270-S272 WeakPolarHBondContact OD1-CB 3.48Å; D270-S272 PolarHBondContact OD1-N 3.42Å; D270-S272 PolarHBondContact OD1-OG 2.75Å; D270-S272 PolarHBondContact OD2-OG 3.1Å
273F97.9Very high92.4Very high22 Ų2232 Ų3210%0.09618%0.175CC..EExtended strand (participates in β ladder)trans-128.1154.3-177-60.7-90.6000111.3P128 V204 L241 S242 L248 L265 L266 M267 G271P128-F273 WeakPolarHBondContact CB-O 3.47Å; P128-F273 WeakPolarHBondContact CG-O 3.16Å; V204-F273 HydrophobicContact CG2-CE1 4.41Å; L241-F273 HydrophobicContact CD1-CE1 3.85Å; L241-F273 HydrophobicContact CD1-CE2 4.03Å; L241-F273 HydrophobicContact CD1-CZ 3.48Å; L241-F273 VanDerWaalsContact CD1-CZ 3.48Å; S242-F273 WeakPolarHBondContact OG-CE2 3.37Å; L248-F273 HydrophobicContact CD2-CB 3.86Å; L265-F273 HydrophobicContact CB-CB 4.28Å; L265-F273 HydrophobicContact CB-CD1 3.85Å; L265-F273 HydrophobicContact CB-CG 4.38Å; L265-F273 HydrophobicContact CD1-CB 4.34Å; L265-F273 HydrophobicContact CD1-CD1 4.2Å; L265-F273 HydrophobicContact CD1-CG 4.23Å; L266-F273 VanDerWaalsContact O-CA 3.22Å; L266-F273 WeakPolarHBondContact O-CA 3.21Å; M267-F273 HydrophobicContact CG-CD1 3.98Å; M267-F273 HydrophobicContact CG-CE1 3.57Å; G271-F273 WeakPolarHBondContact O-CE2 3.04Å
274C97.4Very high90.6Very high1 Ų134.6 Ų34.61%0.00719%0.188CC..EExtended strand (participates in β ladder)trans-126.6154159.960.30000110.9P128 L265 L266P128-C274 HydrophobicContact CB-CB 4.12Å; P128-C274 CarbonylContact O-C 3.54Å; P128-C274 VanDerWaalsContact O-CA 3.24Å; P128-C274 WeakPolarHBondContact O-CA 3.19Å; P128-C274 VanDerWaalsContact O-CB 3.27Å; P128-C274 WeakPolarHBondContact O-CB 3.49Å; L265-C274 WeakPolarHBondContact CA-O 3.44Å; L266-C274 PolarHBondContact N-O 3.3Å; L266-C274 PolarHBondContact O-N 3.14Å
275V97.9Very high88.7Confident0 Ų039.6 Ų39.60%021%0.211CC..EExtended strand (participates in β ladder)trans-81.3127.1-176.6-176.60000109.6L122 V127 P128 L129 P130 L248 V252 I263 L265L122-V275 HydrophobicContact CD1-CG1 4.24Å; V127-V275 HydrophobicContact CG1-CB 4.33Å; V127-V275 HydrophobicContact CG1-CG2 3.57Å; P128-V275 PolarHBondContact O-N 2.97Å; L129-V275 HydrophobicContact CD2-CB 3.82Å; P130-V275 WeakPolarHBondContact CD-O 3.5Å; L248-V275 HydrophobicContact CD1-CG2 4.02Å; L248-V275 HydrophobicContact CD2-CG2 4.15Å; L248-V275 HydrophobicContact CG-CG2 4.12Å; V252-V275 HydrophobicContact CG1-CG1 4.49Å; V252-V275 HydrophobicContact CG2-CG1 4.41Å; V252-V275 HydrophobicContact CG2-CG2 3.59Å; I263-V275 HydrophobicContact CG2-CG1 4.14Å; L265-V275 HydrophobicContact CD2-CG2 4.04Å
276C94.8Very high86.6Confident18 Ų1842.9 Ų42.912%0.12223%0.232CC..EExtended strand (participates in β ladder)trans-93.9-46.7178.3-165.50000112.2F119 K158 D264 L266F119-C276 VanDerWaalsContact CZ-O 3.32Å; F119-C276 WeakPolarHBondContact CZ-O 3.42Å; K158-C276 PolarHBondContact NZ-SG 3.33Å; D264-C276 HydrophobicContact CB-CB 3.98Å; D264-C276 WeakPolarHBondContact O-CB 3.2Å; D264-C276 PolarHBondContact O-N 2.95Å; L266-C276 HydrophobicContact CD1-CB 4.23Å; L266-C276 HydrophobicContact CD2-CB 4.13Å; L266-C276 HydrophobicContact CG-CB 3.83Å
277E92.9Very high84Confident32 Ų3247.4 Ų47.415%0.1525%0.251CS..EExtended strand (participates in β ladder)trans-162.4149.8-170-167175.7121.500110.1K115 D264 N279K115-E277 WeakPolarHBondContact CE-OE2 3.35Å; K115-E277 HydrophobicContact CG-CG 4.48Å; D264-E277 HydrophobicContact CB-CB 4.16Å; D264-E277 PolarHBondContact N-O 3.03Å; E277-N279 PolarHBondContact OE1-ND2 3.34Å; E277-N279 PolarHBondContact OE1-OD1 2.57Å
278A94Very high81.2Confident1 Ų155 Ų551%0.00828%0.283CS..EExtended strand (participates in β ladder)trans-121.3135.2170.300000109.6T118 L256 M258 I263T118-A278 HydrophobicContact CG2-CB 3.79Å; L256-A278 HydrophobicContact CD1-CB 3.56Å; M258-A278 HydrophobicContact CE-CB 3.99Å; I263-A278 HydrophobicContact CD1-CB 3.8Å
279N91.1Very high78.5Confident26 Ų2656.8 Ų56.814%0.13929%0.293CS..EExtended strand (participates in β ladder)trans-122.8118.5-178.3-78.2-83.2000110.7R205 C261 G262 E277 N281R205-N279 PolarHBondContact NH1-ND2 3.43Å; C261-N279 CarbonylContact C-O 3.54Å; C261-N279 VanDerWaalsContact CA-O 3.24Å; C261-N279 WeakPolarHBondContact CA-O 3.5Å; C261-N279 WeakPolarHBondContact CB-O 3.47Å; G262-N279 PolarHBondContact N-O 3.39Å; G262-N279 PolarHBondContact O-N 3.37Å; E277-N279 PolarHBondContact OE1-ND2 3.34Å; E277-N279 PolarHBondContact OE1-OD1 2.57Å; N279-N281 VanDerWaalsContact C-N 3.3Å; N279-N281 PolarHBondContact O-N 2.88Å
280A90.4Very high75.8Confident5 Ų556.9 Ų56.94%0.04129%0.292CS..SBendtrans-76.6-13.9179.500000114T80 N104 I109 C112 M258 P282T80-A280 HydrophobicContact CG2-CB 4.42Å; N104-A280 PolarHBondContact ND2-O 2.96Å; I109-A280 HydrophobicContact CG1-CB 4.25Å; C112-A280 HydrophobicContact CB-CB 4.07Å; M258-A280 HydrophobicContact SD-CB 4.16Å; A280-P282 VanDerWaalsContact C-CD 3.45Å
281N85.8Confident72.7Confident32 Ų3259.1 Ų59.117%0.17130%0.298CS..SBendtrans-125.865.9174.3-168.90.4000108.5Q23 R77 V78 T80 N279Q23-N281 PolarHBondContact NE2-ND2 3.18Å; Q23-N281 PolarHBondContact NE2-OD1 2.99Å; Q23-N281 VanDerWaalsContact NE2-OD1 3.11Å; R77-N281 PolarHBondContact NE-OD1 2.75Å; R77-N281 PolarHBondContact NH1-OD1 3.13Å; R77-N281 PolarHBondContact NH2-OD1 2.99Å; V78-N281 PolarHBondContact O-ND2 3.24Å; T80-N281 WeakPolarHBondContact OG1-CB 3.4Å; N279-N281 VanDerWaalsContact C-N 3.3Å; N279-N281 PolarHBondContact O-N 2.88Å
282P78.3Confident70Confident3 Ų361.9 Ų61.92%0.01931%0.306CS..  trans-67.2158.7-176.233.7-38.7000110R77 I207 V260 C261 G262 A280R77-P282 PolarHBondContact NH2-O 2.92Å; R77-P282 VanDerWaalsContact NH2-O 3.13Å; I207-P282 HydrophobicContact CD1-CB 3.91Å; V260-P282 HydrophobicContact CG1-CG 4.01Å; C261-P282 VanDerWaalsContact C-CG 3.46Å; G262-P282 VanDerWaalsContact N-CB 3.34Å; A280-P282 VanDerWaalsContact C-CD 3.45Å
283F69.6Low66.8Low68 Ų6868.8 Ų68.830%0.29834%0.342SS..  trans137.3138.1157.5-76.4-66.6000110.8P22 I26 I207P22-F283 HydrophobicContact CB-CB 4.09Å; P22-F283 HydrophobicContact CB-CG 4.36Å; P22-F283 HydrophobicContact CG-CB 3.36Å; P22-F283 HydrophobicContact CG-CD2 3.67Å; P22-F283 HydrophobicContact CG-CG 3.73Å; I26-F283 HydrophobicContact CD1-CD2 3.86Å; I26-F283 HydrophobicContact CD1-CE2 3.92Å; I207-F283 HydrophobicContact CG2-CE1 4.13Å; I207-F283 HydrophobicContact CG2-CZ 4.09Å
284Q60.4Low63.7Low56 Ų5676.1 Ų76.126%0.26237%0.373SS..  trans-150.1134.4176.7-178161.126.200106.8C230C230-Q284 VanDerWaalsContact C-NE2 3.33Å; C230-Q284 HydrophobicContact CB-CG 4.32Å
285E55.8Low60.4Low107 Ų10786.4 Ų86.450%0.542%0.418SS..  trans-59.1130.5177.6-73.7-167.6168.600109.9Y21 K287Y21-E285 HydrophobicContact CD1-CB 4.45Å; Y21-E285 HydrophobicContact CD1-CG 3.45Å; Y21-E285 VanDerWaalsContact CD1-CG 3.45Å; Y21-E285 HydrophobicContact CD2-CG 3.67Å; Y21-E285 WeakPolarHBondContact CD2-OE1 3.44Å; Y21-E285 HydrophobicContact CE1-CB 4.11Å; Y21-E285 HydrophobicContact CE1-CG 3.29Å; Y21-E285 VanDerWaalsContact CE1-N 3.32Å; Y21-E285 HydrophobicContact CE2-CG 3.53Å; Y21-E285 HydrophobicContact CG-CG 3.63Å; E285-K287 PolarHBondContact O-N 3.27Å; E285-K287 VanDerWaalsContact O-N 3.14Å
286P52.3Low57.3Low69 Ų6992 Ų9245%0.44845%0.447SS..  trans-63.1114.9162.1-7.220.8000107.4M217 K288M217-P286 HydrophobicContact SD-CB 4.48Å; P286-K288 PolarHBondContact O-N 3.38Å
287K42.8Very low54.1Low119 Ų11996.3 Ų96.352%0.51748%0.475SS..  trans-64.9131.3166.7-74.7-174.5175.9176.90107.7E285 Q289E285-K287 PolarHBondContact O-N 3.27Å; E285-K287 VanDerWaalsContact O-N 3.14Å; K287-Q289 PolarHBondContact O-N 2.8Å
288K38.3Very low51.1Low198 Ų198106.8 Ų106.886%0.86151%0.513SS*.  trans-22.4124.8-173.6-73.9-180178.4177.30114.5P286 I290P286-K288 PolarHBondContact O-N 3.38Å; K288-I290 PolarHBondContact O-N 2.88Å
289Q37.1Very low48.1Very low116 Ų116112.6 Ų112.654%0.54254%0.54SS..  trans-43.9116.7165.2-161162.520.300110.2K287 Q291K287-Q289 PolarHBondContact O-N 2.8Å; Q289-Q291 PolarHBondContact O-N 3.13Å; Q289-Q291 VanDerWaalsContact O-N 3.1Å
290I35.3Very low45.3Very low136 Ų136118.8 Ų118.870%0.69757%0.565SS**  trans-61.1114.5154.1-61.8175.1000103.6K288 T292K288-I290 PolarHBondContact O-N 2.88Å; I290-T292 VanDerWaalsContact C-N 3.29Å; I290-T292 PolarHBondContact O-N 3.26Å
291Q28.8Very low42.6Very low169 Ų169123.9 Ų123.979%0.7960%0.596SS**  trans-58.991.5-176-74.6179.82.100109.8Q289 N293Q289-Q291 PolarHBondContact O-N 3.13Å; Q289-Q291 VanDerWaalsContact O-N 3.1Å; Q291-N293 PolarHBondContact O-N 2.98Å
292T34.3Very low40.3Very low104 Ų104128.9 Ų128.964%0.63862%0.617SS**  trans-69.6125.2150.453.30000105.8I290 K294I290-T292 VanDerWaalsContact C-N 3.29Å; I290-T292 PolarHBondContact O-N 3.26Å; T292-K294 PolarHBondContact O-N 3.45Å
293N27.7Very low38.3Very low163 Ų163130.8 Ų130.887%0.87263%0.626SS**SBendtrans-66.239.9-163.9-129.9-1.3000115.9Q291Q291-N293 PolarHBondContact O-N 2.98Å
294K33.1Very low36.3Very low175 Ų175132 Ų13276%0.76164%0.636SS**  trans-120.9111.4174.7-73.2-173.2176.6-178.80109T292 I296T292-K294 PolarHBondContact O-N 3.45Å; K294-I296 PolarHBondContact O-N 2.78Å; K294-I296 VanDerWaalsContact O-N 3.15Å
295K27.2Very low34.7Very low217 Ų217132.6 Ų132.694%0.94364%0.644SS**  trans-56.2114.7169-76.2179.4176.9177.30108.6
296I33.4Very low33.3Very low117 Ų117132.1 Ų132.160%0.665%0.65SS**  trans-100.4132.8164-58.3175.1000106.3K294 R298K294-I296 PolarHBondContact O-N 2.78Å; K294-I296 VanDerWaalsContact O-N 3.15Å; I296-R298 PolarHBondContact O-N 2.63Å
297P26.6Very low32.4Very low109 Ų109138 Ų13871%0.70869%0.693SS**  trans-60.5135.1-175.4-17.729.4000111.1E299P297-E299 VanDerWaalsContact C-N 3.33Å; P297-E299 PolarHBondContact O-N 2.77Å
298R31Very low31.8Very low253 Ų253138.9 Ų138.996%0.95570%0.702SS**  trans-69.791.6164.5-75.8-178.1174.9-178.3-1.5107.8I296I296-R298 PolarHBondContact O-N 2.63Å
299E30.7Very low31.5Very low123 Ų123135.8 Ų135.858%0.57569%0.693SS**  trans-132.6127.2167.9-80.9-160.6-177.200112.8P297P297-E299 VanDerWaalsContact C-N 3.33Å; P297-E299 PolarHBondContact O-N 2.77Å
300K31.9Very low31.2Very low155 Ų155136.9 Ų136.967%0.67470%0.702SS**  trans76.6112.4146.6-66.6164.4-179149.90117.5F302K300-F302 WeakPolarHBondContact O-CD2 3.45Å; K300-F302 WeakPolarHBondContact O-CE2 3.25Å; K300-F302 PolarHBondContact O-N 3.24Å
301T33.7Very low30.9Very low112 Ų112136.9 Ų136.969%0.68770%0.702SS**  trans-44.5103156-39.70000109.5A29 L303A29-T301 HydrophobicContact CB-CG2 3.53Å; T301-L303 PolarHBondContact O-N 2.98Å
302F38.8Very low31.1Very low138 Ų138134.9 Ų134.961%0.60570%0.696SS**  trans-74.687.2-176.4-68-88.8000110.2K300K300-F302 WeakPolarHBondContact O-CD2 3.45Å; K300-F302 WeakPolarHBondContact O-CE2 3.25Å; K300-F302 PolarHBondContact O-N 3.24Å
303L34.8Very low30.9Very low42 Ų42137 Ų13722%0.2270%0.7CS.*  trans-136.6-1.8177.2-94.6-178.2000120I26 A29 L30 T301I26-L303 VanDerWaalsContact CA-CD1 3.47Å; I26-L303 HydrophobicContact CB-CD1 3.97Å; I26-L303 HydrophobicContact CG1-CD1 3.97Å; I26-L303 HydrophobicContact CG1-CD2 4.33Å; I26-L303 HydrophobicContact CG2-CD1 3.96Å; I26-L303 HydrophobicContact CG2-CD2 4.37Å; A29-L303 HydrophobicContact CB-CB 4.39Å; A29-L303 HydrophobicContact CB-CD1 3.41Å; A29-L303 VanDerWaalsContact CB-CD1 3.41Å; A29-L303 HydrophobicContact CB-CG 4.46Å; L30-L303 HydrophobicContact CG-CD1 4.47Å; T301-L303 PolarHBondContact O-N 2.98Å
304L29.3Very low31.1Very low94 Ų94135.1 Ų135.149%0.49269%0.688SS.*  trans-142.6141.6170.1-68.6172000111.7K33K33-L304 HydrophobicContact CB-CD1 3.81Å; K33-L304 HydrophobicContact CD-CD1 3.63Å; K33-L304 HydrophobicContact CG-CD1 3.3Å
305P25.1Very low30.9Very low69 Ų69132.1 Ų132.145%0.44868%0.683SS.*  trans-61.4141.6167.427.8-31.8000108.9
306P26.8Very low31.2Very low96 Ų96125 Ų12562%0.62366%0.661SS**  trans-62.8141167.425.1-30.9000109.6
307S32.8Very low31Very low192 Ų192125.7 Ų125.7100%1.34367%0.666SS**  trans-36017755.90000114.9

Retrieved 307 of 307 residues in 127.2 ms (Link to these results)

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