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Adhesion G-protein coupled receptor G1

Adhesion G-protein coupled receptor (aGPCR) for steroid hormone 17alpha-hydroxypregnenolone (17-OH), which is involved in cell adhesion and cell-cell interactions1. Ligand binding causes a conformation change that triggers signaling via guanine nucleotide-binding proteins (G proteins) and modulates the activity of downstream effectors, such as RhoA pathway2,3,4. ADGRG1 is coupled to G(12) and/or G(13) G proteins (GNA12 and GNA13, respectively) and mediates the activation Rho small GTPases5,6,7,8. Acts as a potent suppressor of ferroptosis: binding to 17-OH-binding initiates signaling that down-regulates CD36 and alleviates ferroptosis-induced liver injury (By similarity). Ligand-binding also induces cell adhesion activity via association with proteins such as collagen III/COL3A1 and TGM2 (By similarity). Mediates cell matrix adhesion in developing neurons and hematopoietic stem cells (By similarity). Involved in cortical development, specifically in maintenance of the pial basement membrane integrity and in cortical lamination: association with COL3A1 in the developing brain inhibits neuronal migration via activation of the RhoA pathway9. Together with TGM2, acts as a regulator of myelination and myelin repair in oligodendrocyte precursor cells (By similarity). Acts as a hemostatic sensor of shear force: G protein-coupled receptor signaling is activated in response to shear force in platelets, promoting G(13) G protein signaling, and platelet shape change and aggregation in a COL3A1-dependent manner10. Acts as an inhibitor of VEGFA production thereby inhibiting angiogenesis through a signaling pathway mediated by PRKCA11,12,13. Plays a role in the maintenance of hematopoietic stem cells in bone marrow niche (By similarity). Plays an essential role in testis development (By similarity).

AlphaFold DB , UniProt , Accession Q9Y653, Species HUMAN (Homo sapiens, Human), Gene ADGRG1, Length 693 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
1M43.2Very low57.6Low231 Ų231116.7 Ų116.7100%1.13863%0.631SS**  0117.70-74.6170.5175.700106.9
2T46.1Very low57.8Low98 Ų98119.3 Ų119.360%0.60163%0.632SS**  trans-69.2150-170.939.10000111.7Q4 S5T2-Q4 PolarHBondContact O-N 3.13Å; T2-S5 PolarHBondContact O-N 3.47Å; T2-S5 VanDerWaalsContact O-N 3.13Å
3P51.5Low57.8Low110 Ų110118.8 Ų118.871%0.71463%0.629SS**THydrogen-bonded Turntrans-60.4-13.5-172.121.8-33.1000115.1S5 L6P3-S5 VanDerWaalsContact C-N 3.32Å; P3-S5 PolarHBondContact O-N 3.05Å; P3-L6 PolarHBondContact O-N 2.85Å
4Q57.7Low57.5Low154 Ų154116.7 Ų116.772%0.7262%0.618SS**Hα-helixtrans-64.7-30.2174.4-82.8174.5-36.200113.5T2 L6 L7 Q8T2-Q4 PolarHBondContact O-N 3.13Å; Q4-L6 VanDerWaalsContact C-N 3.33Å; Q4-L6 PolarHBondContact O-N 3.16Å; Q4-L7 PolarHBondContact O-N 3.26Å; Q4-Q8 PolarHBondContact O-N 2.8Å
5S57.4Low57Low57 Ų57112.3 Ų112.340%0.39960%0.6SS.*Hα-helixtrans-72.4-27.2-179.379.30000113.1T2 P3 T9T2-S5 PolarHBondContact O-N 3.47Å; T2-S5 VanDerWaalsContact O-N 3.13Å; P3-S5 VanDerWaalsContact C-N 3.32Å; P3-S5 PolarHBondContact O-N 3.05Å; S5-T9 PolarHBondContact O-N 3.41Å; S5-T9 PolarHBondContact O-OG1 3.23Å
6L57.1Low56.4Low121 Ų121111.7 Ų111.763%0.63460%0.596SS**Hα-helixtrans-74.8-33.4177.2-103.7140.5000112.2P3 Q4 T9 T10P3-L6 PolarHBondContact O-N 2.85Å; Q4-L6 VanDerWaalsContact C-N 3.33Å; Q4-L6 PolarHBondContact O-N 3.16Å; L6-T9 WeakPolarHBondContact CA-OG1 3.29Å; L6-T9 PolarHBondContact O-OG1 3.25Å; L6-T10 WeakPolarHBondContact O-CG2 3.45Å; L6-T10 PolarHBondContact O-N 3.07Å; L6-T10 VanDerWaalsContact O-N 3.12Å; L6-T10 PolarHBondContact O-OG1 3.02Å
7L66.3Low55.7Low117 Ų117111.7 Ų111.761%0.61360%0.595SS**Hα-helixtrans-72.4-37.4176.2-158.377.3000111.7Q4 T10 L11Q4-L7 PolarHBondContact O-N 3.26Å; L7-T10 VanDerWaalsContact CA-OG1 3.32Å; L7-T10 WeakPolarHBondContact CA-OG1 3.45Å; L7-T10 PolarHBondContact O-OG1 3.13Å; L7-L11 HydrophobicContact CG-CD1 4.28Å; L7-L11 WeakPolarHBondContact O-CB 3.5Å; L7-L11 PolarHBondContact O-N 3.05Å
8Q61.7Low54.7Low143 Ų143113.4 Ų113.467%0.66860%0.597SS**Hα-helixtrans-70-37.5177.9-116.7170.4-23.300112.7Q4 F12Q4-Q8 PolarHBondContact O-N 2.8Å; Q8-F12 PolarHBondContact O-N 3.24Å
9T65Low53.7Low79 Ų79114.9 Ų114.949%0.48561%0.605SS.*Hα-helixtrans-69.4-38.5174.830.70000112.1S5 L6 F12 L13S5-T9 PolarHBondContact O-N 3.41Å; S5-T9 PolarHBondContact O-OG1 3.23Å; L6-T9 WeakPolarHBondContact CA-OG1 3.29Å; L6-T9 PolarHBondContact O-OG1 3.25Å; T9-F12 PolarHBondContact O-N 3.16Å; T9-L13 WeakPolarHBondContact O-CB 3.31Å; T9-L13 PolarHBondContact O-N 2.96Å
10T62.1Low52.7Low63 Ų63113.4 Ų113.439%0.38760%0.6SS.*Hα-helixtrans-67.2-39.1175450000112.6L6 L7 L13 L14L6-T10 WeakPolarHBondContact O-CG2 3.45Å; L6-T10 PolarHBondContact O-N 3.07Å; L6-T10 VanDerWaalsContact O-N 3.12Å; L6-T10 PolarHBondContact O-OG1 3.02Å; L7-T10 VanDerWaalsContact CA-OG1 3.32Å; L7-T10 WeakPolarHBondContact CA-OG1 3.45Å; L7-T10 PolarHBondContact O-OG1 3.13Å; T10-L13 PolarHBondContact O-N 3.07Å; T10-L14 WeakPolarHBondContact O-CB 3.41Å; T10-L14 PolarHBondContact O-N 3.49Å
11L65.9Low51.5Low111 Ų111115.5 Ų115.558%0.58161%0.606SS**Hα-helixtrans-64.9-36.9173-92149.4000113L7 L14 S15L7-L11 HydrophobicContact CG-CD1 4.28Å; L7-L11 WeakPolarHBondContact O-CB 3.5Å; L7-L11 PolarHBondContact O-N 3.05Å; L11-L14 PolarHBondContact O-N 3.19Å; L11-S15 PolarHBondContact O-N 3.01Å
12F59.6Low50.7Low148 Ų148108 Ų10865%0.64959%0.589SS**Hα-helixtrans-69.9-36.7174.6-117.7-84.8000112.7Q8 T9 S15 L16Q8-F12 PolarHBondContact O-N 3.24Å; T9-F12 PolarHBondContact O-N 3.16Å; F12-S15 PolarHBondContact O-N 2.74Å; F12-S15 PolarHBondContact O-OG 3.23Å; F12-S15 VanDerWaalsContact O-OG 3.07Å; F12-L16 HydrophobicContact CD1-CD1 4.48Å; F12-L16 PolarHBondContact O-N 3.31Å; F12-L16 VanDerWaalsContact O-N 3.08Å
13L58.3Low49.8Very low113 Ų113107.4 Ų107.459%0.59259%0.593SS**Hα-helixtrans-67.1-38.4173.3-91.4147.1000111.9T9 T10 L16 L17T9-L13 WeakPolarHBondContact O-CB 3.31Å; T9-L13 PolarHBondContact O-N 2.96Å; T10-L13 PolarHBondContact O-N 3.07Å; L13-L16 PolarHBondContact O-N 3.05Å; L13-L17 WeakPolarHBondContact O-CD1 3.47Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 3.01Å
14L53.9Low48.5Very low89 Ų89110.2 Ų110.247%0.46660%0.597SS.*Hα-helixtrans-67.4-39.2174.1-92.9145.4000112.3T10 L11 L16 L17 F18T10-L14 WeakPolarHBondContact O-CB 3.41Å; T10-L14 PolarHBondContact O-N 3.49Å; L11-L14 PolarHBondContact O-N 3.19Å; L14-L16 VanDerWaalsContact C-N 3.35Å; L14-L17 PolarHBondContact O-N 3.43Å; L14-F18 HydrophobicContact CD2-CD2 4.48Å; L14-F18 HydrophobicContact CD2-CE2 3.88Å; L14-F18 WeakPolarHBondContact O-CD2 3.36Å; L14-F18 PolarHBondContact O-N 3.27Å
15S50Low46.9Very low50 Ų50106.2 Ų106.235%0.3560%0.597SS.*Hα-helixtrans-67.6-35.1175.778.80000112.3L11 F12 F18 L19L11-S15 PolarHBondContact O-N 3.01Å; F12-S15 PolarHBondContact O-N 2.74Å; F12-S15 PolarHBondContact O-OG 3.23Å; F12-S15 VanDerWaalsContact O-OG 3.07Å; S15-F18 PolarHBondContact O-N 2.93Å; S15-L19 WeakPolarHBondContact O-CB 3.48Å; S15-L19 WeakPolarHBondContact O-CG 3.19Å; S15-L19 PolarHBondContact O-N 3.33Å
16L46.7Very low45.7Very low103 Ų103111.5 Ų111.554%0.53961%0.608SS.*Hα-helixtrans-65.4-40.4170.2-107.7105000112F12 L13 L14 F18 L19 V20F12-L16 HydrophobicContact CD1-CD1 4.48Å; F12-L16 PolarHBondContact O-N 3.31Å; F12-L16 VanDerWaalsContact O-N 3.08Å; L13-L16 PolarHBondContact O-N 3.05Å; L14-L16 VanDerWaalsContact C-N 3.35Å; L16-F18 VanDerWaalsContact C-N 3.33Å; L16-F18 PolarHBondContact O-N 3.26Å; L16-L19 PolarHBondContact O-N 3.06Å; L16-V20 VanDerWaalsContact O-CG2 3.24Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 2.73Å
17L44Very low44.9Very low112 Ų112109.1 Ų109.159%0.58661%0.612SS**Hα-helixtrans-63.3-38175.6-81.4157.9000112L13 L14 Q21L13-L17 WeakPolarHBondContact O-CD1 3.47Å; L13-L17 WeakPolarHBondContact O-CG 3.42Å; L13-L17 PolarHBondContact O-N 3.01Å; L14-L17 PolarHBondContact O-N 3.43Å; L17-Q21 PolarHBondContact O-N 2.74Å
18F38.7Very low44.3Very low143 Ų143109.3 Ų109.363%0.62761%0.61SS**Hα-helixtrans-75.8-28.8175.8-79.1-66.9000113.8L14 S15 L16 V20L14-F18 HydrophobicContact CD2-CD2 4.48Å; L14-F18 HydrophobicContact CD2-CE2 3.88Å; L14-F18 WeakPolarHBondContact O-CD2 3.36Å; L14-F18 PolarHBondContact O-N 3.27Å; S15-F18 PolarHBondContact O-N 2.93Å; L16-F18 VanDerWaalsContact C-N 3.33Å; L16-F18 PolarHBondContact O-N 3.26Å; F18-V20 VanDerWaalsContact C-N 3.33Å
19L35.5Very low44.5Very low142 Ų142105.7 Ų105.774%0.74359%0.59SS**Hα-helixtrans-74.3-22.7173.2-82.6158.7000112.9S15 L16S15-L19 WeakPolarHBondContact O-CB 3.48Å; S15-L19 WeakPolarHBondContact O-CG 3.19Å; S15-L19 PolarHBondContact O-N 3.33Å; L16-L19 PolarHBondContact O-N 3.06Å
20V32.9Very low45.3Very low84 Ų84104.7 Ų104.751%0.50958%0.58SS.*Hα-helixtrans-88.2-16179.6174.30000113.1L16 F18 G22 A23L16-V20 VanDerWaalsContact O-CG2 3.24Å; L16-V20 WeakPolarHBondContact O-CG2 3.41Å; L16-V20 PolarHBondContact O-N 2.73Å; F18-V20 VanDerWaalsContact C-N 3.33Å; V20-G22 PolarHBondContact O-N 2.86Å; V20-G22 VanDerWaalsContact O-N 3.1Å; V20-A23 PolarHBondContact O-N 3.5Å
21Q27.2Very low46.4Very low157 Ų157102 Ų10273%0.73456%0.563SS**THydrogen-bonded Turntrans-72.92.1175.7-75.6-166.3-37.100114.8L17L17-Q21 PolarHBondContact O-N 2.74Å
22G27.7Very low47.6Very low74 Ų7496.8 Ų96.876%0.76354%0.536SS*.THydrogen-bonded Turntrans-91-7.5174.500000116.3V20V20-G22 PolarHBondContact O-N 2.86Å; V20-G22 VanDerWaalsContact O-N 3.1Å
23A27.3Very low49.2Very low85 Ų8592.8 Ų92.870%0.70252%0.516SS*.SBendtrans-130.39.7-168.300000116.2V20 G25V20-A23 PolarHBondContact O-N 3.5Å; A23-G25 VanDerWaalsContact C-N 3.29Å; A23-G25 PolarHBondContact O-N 3.09Å
24H23.1Very low50.9Low170 Ų17087.4 Ų87.479%0.78749%0.488SS*.  trans-9746.1168.4-88.751.1000111.7R26H24-R26 VanDerWaalsContact C-N 3.27Å; H24-R26 PolarHBondContact O-N 3.14Å
25G25.6Very low52.9Low70 Ų7083.7 Ų83.772%0.72247%0.47SS*.  trans-65.893.8161.200000108.1A23 G27A23-G25 VanDerWaalsContact C-N 3.29Å; A23-G25 PolarHBondContact O-N 3.09Å; G25-G27 VanDerWaalsContact C-N 3.27Å; G25-G27 PolarHBondContact O-N 3.29Å
26R31.1Very low55Low168 Ų16881.3 Ų81.363%0.63445%0.453SS*.  trans-48.598161.5-168.7179.8-161-149.3-4.1106.1H24 H28 E257H24-R26 VanDerWaalsContact C-N 3.27Å; H24-R26 PolarHBondContact O-N 3.14Å; R26-H28 PolarHBondContact O-N 3.31Å; R26-E257 IonicContact CZ-OE1 3.09Å; R26-E257 IonicContact NH2-OE1 3.51Å; R26-E257 PolarHBondContact NH2-OE1 2.98Å
27G41Very low57.2Low70 Ų7079.4 Ų79.472%0.72244%0.441SS*.  trans-63.5100.1-174.400000108.4G25 R29G25-G27 VanDerWaalsContact C-N 3.27Å; G25-G27 PolarHBondContact O-N 3.29Å; G27-R29 PolarHBondContact O-N 2.78Å
28H52.3Low59.6Low121 Ų12174.1 Ų74.156%0.5641%0.414SS*.  trans-61.1137.2173.2-76.6-69.1000108R26 E30R26-H28 PolarHBondContact O-N 3.31Å; H28-E30 WeakPolarHBondContact O-CG 3.36Å; H28-E30 PolarHBondContact O-N 3.37Å
29R67.3Low62.1Low68 Ų6871.7 Ų71.726%0.25741%0.407SS..  trans-64.4105.5175-164-174.4-152.7174.634.5108.2G27 N95 H97 E229 E230 D231 N234G27-R29 PolarHBondContact O-N 2.78Å; R29-N95 PolarHBondContact O-ND2 2.87Å; R29-N95 PolarHBondContact O-OD1 3.26Å; R29-H97 PolarHBondContact NH1-NE2 3.05Å; R29-E229 IonicContact NE-OE2 3.84Å; R29-E229 PolarHBondContact NE-OE2 2.79Å; R29-E229 VanDerWaalsContact NH2-CA 3.33Å; R29-E229 PolarHBondContact NH2-O 3.47Å; R29-E229 IonicContact NH2-OE2 3.7Å; R29-E230 PolarHBondContact NH1-O 2.89Å; R29-E230 PolarHBondContact NH2-O 3.02Å; R29-D231 IonicContact NH1-OD1 3.05Å; R29-D231 PolarHBondContact NH1-OD1 3.39Å; R29-N234 PolarHBondContact NH2-OD1 3.04Å; R29-N234 VanDerWaalsContact NH2-OD1 3.13Å
30E81Confident64.6Low58 Ų5865 Ų6527%0.27137%0.372SS..  trans-112.2126.4-175.1-71.3159.4-166.300109.1H28 R33 Y93H28-E30 WeakPolarHBondContact O-CG 3.36Å; H28-E30 PolarHBondContact O-N 3.37Å; E30-R33 WeakPolarHBondContact OE2-CD 3.28Å; E30-R33 IonicContact OE2-NH1 3.69Å; E30-Y93 HydrophobicContact CG-CD1 4.13Å; E30-Y93 WeakPolarHBondContact OE1-CD1 3.49Å; E30-Y93 VanDerWaalsContact OE2-CD1 3.28Å; E30-Y93 WeakPolarHBondContact OE2-CD1 3.32Å; E30-Y93 WeakPolarHBondContact OE2-CE1 3.4Å
31D85.6Confident67.2Low6 Ų663.7 Ų63.73%0.03236%0.364CS..SBendtrans-79-30.3179.4-63.5-99.5000111.1W94 R96 H97 S142 W143D31-W94 HydrophobicContact CB-CD2 4.44Å; D31-W94 HydrophobicContact CB-CE3 4.46Å; D31-W94 PolarHBondContact N-O 2.81Å; D31-R96 IonicContact OD1-NE 2.79Å; D31-R96 WeakPolarHBondContact OD2-CB 3.24Å; D31-R96 PolarHBondContact OD2-N 3.37Å; D31-H97 IonicContact OD2-ND1 2.63Å; D31-S142 WeakPolarHBondContact O-CA 3.31Å; D31-W143 PolarHBondContact O-N 3.3Å
32F90.9Very high69.9Low1 Ų160.2 Ų60.20%0.00435%0.348CS..EExtended strand (participates in β ladder)trans-153.2136.7176.7174.4-91.3000110.4F34 I56 L92 W94 V140 T141 F159 F161F32-F34 HydrophobicContact CE1-CB 3.75Å; F32-F34 HydrophobicContact CZ-CB 3.9Å; F32-I56 HydrophobicContact CD1-CD1 4.34Å; F32-I56 HydrophobicContact CE1-CD1 4.44Å; F32-L92 HydrophobicContact CE1-CD2 4.37Å; F32-W94 HydrophobicContact CB-CB 4.13Å; F32-W94 HydrophobicContact CB-CD2 4.49Å; F32-W94 HydrophobicContact CB-CE3 3.69Å; F32-W94 HydrophobicContact CB-CZ3 4.47Å; F32-W94 PolarHBondContact N-O 3.32Å; F32-W94 PolarHBondContact O-N 2.96Å; F32-V140 HydrophobicContact CD2-CG2 4.25Å; F32-V140 HydrophobicContact CE2-CG2 3.55Å; F32-V140 HydrophobicContact CZ-CG2 4.01Å; F32-T141 WeakPolarHBondContact CA-O 3.2Å; F32-F159 HydrophobicContact CE2-CB 4.33Å; F32-F159 AromaticContact CE2-CD1 3.97Å; F32-F159 HydrophobicContact CE2-CD1 3.97Å; F32-F159 HydrophobicContact CE2-CD2 4.16Å; F32-F159 HydrophobicContact CE2-CE1 4.32Å; F32-F159 AromaticContact CE2-CG 3.88Å; F32-F159 HydrophobicContact CE2-CG 3.88Å; F32-F159 HydrophobicContact CZ-CB 4.45Å; F32-F159 HydrophobicContact CZ-CD1 4.2Å; F32-F159 AromaticContact CZ-CD2 3.61Å; F32-F159 HydrophobicContact CZ-CD2 3.61Å; F32-F159 HydrophobicContact CZ-CE1 4.38Å; F32-F159 AromaticContact CZ-CE2 3.83Å; F32-F159 HydrophobicContact CZ-CE2 3.83Å; F32-F159 AromaticContact CZ-CG 3.81Å; F32-F159 HydrophobicContact CZ-CG 3.81Å; F32-F159 HydrophobicContact CZ-CZ 4.22Å; F32-F161 HydrophobicContact CD2-CZ 4.13Å; F32-F161 HydrophobicContact CE2-CZ 4.3Å
33R92.9Very high72.8Confident65 Ų6565.4 Ų65.425%0.24534%0.344CS..EExtended strand (participates in β ladder)trans-138.1129.7173166.8-174.778.4-169.48.2110E30 L92 Y93 V140 T141 N148E30-R33 WeakPolarHBondContact OE2-CD 3.28Å; E30-R33 IonicContact OE2-NH1 3.69Å; R33-L92 CarbonylContact C-O 3.54Å; R33-L92 VanDerWaalsContact CA-O 3.28Å; R33-L92 WeakPolarHBondContact CA-O 3.48Å; R33-Y93 HydrophobicContact CB-CD1 3.93Å; R33-Y93 HydrophobicContact CB-CE1 4.33Å; R33-Y93 HydrophobicContact CG-CD1 3.71Å; R33-Y93 HydrophobicContact CG-CE1 3.66Å; R33-V140 CarbonylContact O-C 3.48Å; R33-V140 WeakPolarHBondContact O-CA 3.37Å; R33-T141 WeakPolarHBondContact CB-OG1 3.44Å; R33-T141 PolarHBondContact N-O 3.46Å; R33-T141 PolarHBondContact NE-OG1 3.15Å; R33-T141 PolarHBondContact O-N 3.21Å; R33-T141 PolarHBondContact O-OG1 3.18Å; R33-N148 PolarHBondContact NH2-OD1 2.67Å
34F94.4Very high75.8Confident0 Ų061.5 Ų61.50%031%0.312CS..EExtended strand (participates in β ladder)trans-122.3118174.5171.4-90.6000108.8F32 I58 F90 C91 L92 L135 T138 S139 F157 F159F32-F34 HydrophobicContact CE1-CB 3.75Å; F32-F34 HydrophobicContact CZ-CB 3.9Å; F34-I58 HydrophobicContact CD1-CD1 3.89Å; F34-I58 HydrophobicContact CD1-CG1 4.25Å; F34-I58 HydrophobicContact CD2-CD1 4.28Å; F34-I58 HydrophobicContact CE1-CB 4.36Å; F34-I58 HydrophobicContact CE1-CD1 4.11Å; F34-I58 HydrophobicContact CE1-CG1 4.27Å; F34-I58 HydrophobicContact CE1-CG2 4.17Å; F34-I58 HydrophobicContact CE2-CD1 4.43Å; F34-I58 HydrophobicContact CG-CD1 3.98Å; F34-I58 HydrophobicContact CZ-CD1 4.37Å; F34-F90 HydrophobicContact CD1-CE2 4.13Å; F34-F90 AromaticContact CE1-CE2 3.83Å; F34-F90 HydrophobicContact CE1-CE2 3.83Å; F34-F90 HydrophobicContact CE1-CZ 4.1Å; F34-C91 CarbonylContact O-C 3.5Å; F34-C91 VanDerWaalsContact O-CA 3.22Å; F34-C91 WeakPolarHBondContact O-CA 3.36Å; F34-L92 HydrophobicContact CB-CB 4.33Å; F34-L92 PolarHBondContact N-O 3.43Å; F34-L92 PolarHBondContact O-N 3.11Å; F34-L135 HydrophobicContact CE1-CD1 4.46Å; F34-L135 HydrophobicContact CZ-CD1 4.26Å; F34-T138 HydrophobicContact CD2-CG2 4.09Å; F34-T138 HydrophobicContact CE1-CG2 4.5Å; F34-T138 HydrophobicContact CE2-CG2 3.18Å; F34-T138 HydrophobicContact CZ-CG2 3.44Å; F34-T138 VanDerWaalsContact CZ-CG2 3.44Å; F34-S139 WeakPolarHBondContact CA-O 3.32Å; F34-F157 HydrophobicContact CE2-CB 4.14Å; F34-F157 HydrophobicContact CE2-CD1 4.5Å; F34-F157 AromaticContact CE2-CD2 3.78Å; F34-F157 HydrophobicContact CE2-CD2 3.78Å; F34-F157 HydrophobicContact CE2-CE2 4.31Å; F34-F157 AromaticContact CE2-CG 3.88Å; F34-F157 HydrophobicContact CE2-CG 3.88Å; F34-F157 HydrophobicContact CZ-CB 4.44Å; F34-F157 AromaticContact CZ-CD2 3.53Å; F34-F157 HydrophobicContact CZ-CD2 3.53Å; F34-F157 HydrophobicContact CZ-CE2 4Å; F34-F157 HydrophobicContact CZ-CG 4.1Å; F34-F159 AromaticContact CD2-CE2 3.65Å; F34-F159 HydrophobicContact CD2-CE2 3.65Å; F34-F159 AromaticContact CD2-CZ 3.54Å; F34-F159 HydrophobicContact CD2-CZ 3.54Å; F34-F159 AromaticContact CE2-CE2 3.98Å; F34-F159 HydrophobicContact CE2-CE2 3.98Å; F34-F159 AromaticContact CE2-CZ 3.85Å; F34-F159 HydrophobicContact CE2-CZ 3.85Å; F34-F159 HydrophobicContact CG-CE2 4.38Å
35C95Very high79Confident11 Ų1154.8 Ų54.87%0.07428%0.284CS..EExtended strand (participates in β ladder)trans-117.8138.1-179.6-71.80000110.3F90 C91 T138 S139C35-F90 CarbonylContact C-O 3.5Å; C35-F90 WeakPolarHBondContact CA-O 3.23Å; C35-C91 HydrophobicContact CB-CB 4.17Å; C35-C91 WeakPolarHBondContact CB-SG 3.29Å; C35-C91 WeakPolarHBondContact SG-CB 3.27Å; C35-C91 CovalentContact SG-SG 2.04Å; C35-C91 PolarHBondContact SG-SG 2.99Å; C35-T138 CarbonylContact O-C 3.59Å; C35-T138 WeakPolarHBondContact O-CA 3.19Å; C35-S139 PolarHBondContact N-O 2.99Å; C35-S139 PolarHBondContact O-N 3.24Å
36S94.9Very high82.3Confident0 Ų051.6 Ų51.60%025%0.251CS..EExtended strand (participates in β ladder)trans-155168.7-177.3-172.70000111.5H89 F90 L135 L136 T138S36-H89 PolarHBondContact O-ND1 3.34Å; S36-H89 VanDerWaalsContact O-ND1 3.12Å; S36-F90 PolarHBondContact N-O 3.24Å; S36-F90 PolarHBondContact O-N 2.93Å; S36-F90 VanDerWaalsContact O-O 3.1Å; S36-L135 WeakPolarHBondContact OG-CB 3.34Å; S36-L136 PolarHBondContact OG-O 2.87Å; S36-T138 PolarHBondContact OG-OG1 3.46Å
37Q94.1Very high85.3Confident63 Ų6346.3 Ų46.329%0.29423%0.233SC..EExtended strand (participates in β ladder)trans-115.3142.2170-61.8-179.4-14.900110.7L87 Y88 H89 L136 A137Q37-L87 HydrophobicContact CB-CD1 4.13Å; Q37-L87 HydrophobicContact CB-CG 4.46Å; Q37-Y88 CarbonylContact C-O 3.58Å; Q37-Y88 VanDerWaalsContact CA-O 3.32Å; Q37-Y88 WeakPolarHBondContact CA-O 3.32Å; Q37-H89 HydrophobicContact CG-CB 4.34Å; Q37-L136 HydrophobicContact CB-CB 4.31Å; Q37-L136 WeakPolarHBondContact CB-O 3.17Å; Q37-L136 PolarHBondContact N-O 3.44Å; Q37-L136 PolarHBondContact O-N 3.4Å; Q37-A137 HydrophobicContact CG-CB 4.31Å
38R92.8Very high87.9Confident1 Ų143.4 Ų43.40%0.00420%0.2CC..EExtended strand (participates in β ladder)trans-132.6138.1176.6174.4-164.5165.1127.6-7.2109.4S44 N60 S61 E62 A64 Y88 F90 L135R38-S44 PolarHBondContact NH2-OG 3.04Å; R38-N60 WeakPolarHBondContact CD-OD1 3.48Å; R38-N60 WeakPolarHBondContact CG-OD1 3.34Å; R38-N60 PolarHBondContact NE-OD1 3.38Å; R38-N60 PolarHBondContact NH1-OD1 2.76Å; R38-S61 PolarHBondContact NH1-O 3.34Å; R38-S61 PolarHBondContact NH2-O 3.12Å; R38-E62 VanDerWaalsContact NH2-C 3.34Å; R38-E62 PolarHBondContact NH2-O 3.5Å; R38-A64 PolarHBondContact NH1-O 3.43Å; R38-Y88 PolarHBondContact N-O 3.21Å; R38-Y88 PolarHBondContact O-N 3.31Å; R38-F90 HydrophobicContact CB-CD1 4.35Å; R38-F90 HydrophobicContact CB-CE1 4Å; R38-L135 HydrophobicContact CB-CD2 3.85Å; R38-L135 HydrophobicContact CG-CD2 4.39Å
39N91.1Very high89.8Confident91 Ų9142.9 Ų42.949%0.48720%0.196SC..EExtended strand (participates in β ladder)trans-86.2115.2168.9-168.17.6000110.6L87N39-L87 HydrophobicContact CB-CD1 4.49Å
40Q89Confident91.1Very high2 Ų243.4 Ų43.41%0.00921%0.208CC..EExtended strand (participates in β ladder)trans-92.7101.2179.1-174.9177-35.500110.3H42 P82 R85 G86 Y88 Y105Q40-H42 VanDerWaalsContact CG-O 3.31Å; Q40-H42 WeakPolarHBondContact CG-O 3.4Å; Q40-P82 PolarHBondContact NE2-O 3.4Å; Q40-R85 WeakPolarHBondContact O-CA 3.36Å; Q40-R85 WeakPolarHBondContact O-CB 3.39Å; Q40-G86 PolarHBondContact N-O 3.44Å; Q40-G86 PolarHBondContact O-N 3.16Å; Q40-G86 VanDerWaalsContact O-N 3.12Å; Q40-Y88 HydrophobicContact CB-CD2 3.94Å; Q40-Y88 HydrophobicContact CB-CE2 4.18Å; Q40-Y105 PolarHBondContact OE1-OH 3.31Å
41T86.4Confident91.5Very high57 Ų5741.7 Ų41.735%0.3520%0.202SC..  trans-91.7-33-179.547.50000113.2R85T41-R85 VanDerWaalsContact O-CD 3.28Å; T41-R85 WeakPolarHBondContact O-CD 3.45Å; T41-R85 PolarHBondContact O-NE 2.89Å
42H85.4Confident91.7Very high84 Ų8447.3 Ų47.339%0.38924%0.239SC..SBendtrans-114.3171.8179.6-66.9-95.3000111.8Q40 S44Q40-H42 VanDerWaalsContact CG-O 3.31Å; Q40-H42 WeakPolarHBondContact CG-O 3.4Å; H42-S44 PolarHBondContact O-N 3.44Å; H42-S44 VanDerWaalsContact O-N 3.08Å
43R87.1Confident91.6Very high182 Ų18250.8 Ų50.869%0.68726%0.257SS*.  trans-63.6111.6167.2-172.1178-171.5-173.6-1.8107.3D83R43-D83 IonicContact NE-OD1 3.47Å
44S90.2Very high91.5Very high3 Ų350.5 Ų50.52%0.02126%0.261CS..  trans-108.2152.6-171.2-174.80000111.9R38 H42 E63 F81R38-S44 PolarHBondContact NH2-OG 3.04Å; H42-S44 PolarHBondContact O-N 3.44Å; H42-S44 VanDerWaalsContact O-N 3.08Å; S44-E63 CarbonylContact C-O 3.56Å; S44-E63 WeakPolarHBondContact CA-O 3.46Å; S44-E63 PolarHBondContact OG-O 3.42Å; S44-F81 WeakPolarHBondContact O-CB 3.35Å; S44-F81 PolarHBondContact O-N 2.97Å; S44-F81 WeakPolarHBondContact OG-CD2 3.36Å
45S92Very high91.4Very high29 Ų2956 Ų5620%0.20328%0.281CS..EExtended strand (participates in β ladder)trans-128.2151.8174.665.60000112.6H47 E63 A64 L65 R79S45-H47 PolarHBondContact OG-NE2 3.41Å; S45-E63 PolarHBondContact N-O 3.13Å; S45-A64 CarbonylContact O-C 3.58Å; S45-A64 WeakPolarHBondContact O-CA 3.41Å; S45-A64 WeakPolarHBondContact O-CB 3.48Å; S45-L65 PolarHBondContact O-N 2.83Å; S45-R79 CarbonylContact C-O 3.48Å; S45-R79 WeakPolarHBondContact CA-O 3.36Å
46L93.9Very high91.3Very high4 Ų455.5 Ų55.52%0.02128%0.278CS..EExtended strand (participates in β ladder)trans-88.1125.3170.4178.755.6000108.6L65 V67 S78 R79 F81 L103 F110 L112L46-L65 WeakPolarHBondContact CA-O 3.38Å; L46-V67 HydrophobicContact CD1-CG2 4.31Å; L46-S78 CarbonylContact O-C 3.5Å; L46-S78 VanDerWaalsContact O-CA 3.22Å; L46-S78 WeakPolarHBondContact O-CA 3.34Å; L46-R79 PolarHBondContact N-O 3.43Å; L46-R79 PolarHBondContact O-N 3.43Å; L46-F81 HydrophobicContact CB-CE1 3.84Å; L46-F81 HydrophobicContact CB-CE2 4.11Å; L46-F81 HydrophobicContact CB-CZ 3.58Å; L46-F81 HydrophobicContact CD1-CZ 4.05Å; L46-F81 HydrophobicContact CD2-CE1 4.37Å; L46-F81 HydrophobicContact CG-CZ 4.27Å; L46-L103 HydrophobicContact CD1-CD2 3.61Å; L46-L103 HydrophobicContact CD2-CB 4.47Å; L46-L103 HydrophobicContact CD2-CD2 3.85Å; L46-L103 HydrophobicContact CG-CD2 4.34Å; L46-F110 HydrophobicContact CD2-CB 3.38Å; L46-F110 HydrophobicContact CD2-CD1 3.85Å; L46-F110 HydrophobicContact CD2-CD2 4.21Å; L46-F110 HydrophobicContact CD2-CG 3.56Å; L46-L112 HydrophobicContact CD1-CD2 4.36Å; L46-L112 HydrophobicContact CD2-CD2 3.67Å; L46-L112 HydrophobicContact CG-CD2 4.12Å
47H94.5Very high91.2Very high57 Ų5755.9 Ų55.926%0.26428%0.28SS..EExtended strand (participates in β ladder)trans-114.7124.2171.4-70.3-54.7000110.2S45 A64 L65 T66 V67 S78S45-H47 PolarHBondContact OG-NE2 3.41Å; H47-A64 VanDerWaalsContact CD2-CB 3.46Å; H47-A64 WeakPolarHBondContact CD2-CB 3.49Å; H47-L65 PolarHBondContact N-O 2.89Å; H47-T66 HydrophobicContact CB-CG2 4.15Å; H47-T66 CarbonylContact O-C 3.41Å; H47-T66 WeakPolarHBondContact O-CA 3.47Å; H47-V67 PolarHBondContact O-N 3.09Å; H47-S78 WeakPolarHBondContact ND1-CB 3.3Å; H47-S78 PolarHBondContact ND1-OG 2.82Å
48Y95Very high91.2Very high9 Ų952.9 Ų52.94%0.03527%0.266CS..EExtended strand (participates in β ladder)trans-106.9125.3170.8-175.9-105.9000110.8V67 A69 F71 A73 A77 L101 L112Y48-V67 WeakPolarHBondContact CA-O 3.28Å; Y48-V67 HydrophobicContact CD2-CB 4.19Å; Y48-V67 HydrophobicContact CD2-CG1 4.19Å; Y48-V67 WeakPolarHBondContact CD2-O 3.41Å; Y48-V67 HydrophobicContact CE2-CG1 4.31Å; Y48-A69 HydrophobicContact CE2-CB 3.82Å; Y48-F71 WeakPolarHBondContact OH-CB 3.37Å; Y48-F71 PolarHBondContact OH-O 3.5Å; Y48-A73 HydrophobicContact CD1-CB 3.51Å; Y48-A73 VanDerWaalsContact CE1-CA 3.49Å; Y48-A73 HydrophobicContact CE1-CB 3.79Å; Y48-A77 PolarHBondContact N-O 3.38Å; Y48-L101 HydrophobicContact CE2-CD2 3.63Å; Y48-L112 HydrophobicContact CD2-CB 3.77Å; Y48-L112 HydrophobicContact CD2-CD1 3.86Å; Y48-L112 HydrophobicContact CD2-CD2 4.2Å; Y48-L112 HydrophobicContact CD2-CG 4.17Å; Y48-L112 HydrophobicContact CE2-CB 3.94Å; Y48-L112 HydrophobicContact CE2-CD1 4.23Å; Y48-L112 HydrophobicContact CG-CB 4.1Å; Y48-L112 HydrophobicContact CG-CD2 4.29Å
49K93.3Very high91.2Very high110 Ų11056.7 Ų56.748%0.47828%0.284SS..EExtended strand (participates in β ladder)trans-123.1111-179.2-72.6178.3179.8176.40110T66 V67 H68 A69K49-T66 HydrophobicContact CD-CG2 4.01Å; K49-T66 HydrophobicContact CG-CG2 4.43Å; K49-V67 PolarHBondContact N-O 3.37Å; K49-H68 VanDerWaalsContact CB-CD2 3.45Å; K49-H68 WeakPolarHBondContact CB-CD2 3.48Å; K49-H68 WeakPolarHBondContact CD-NE2 3.1Å; K49-H68 VanDerWaalsContact O-CA 3.31Å; K49-H68 WeakPolarHBondContact O-CA 3.29Å; K49-A69 PolarHBondContact O-N 2.94Å
50P92.6Very high91.3Very high78 Ų7852.9 Ų52.951%0.50626%0.264SS..EExtended strand (participates in β ladder)trans-66.9139175.128.8-33.7000110.1A69 F71P50-A69 WeakPolarHBondContact CA-O 3.44Å; P50-F71 WeakPolarHBondContact CB-O 3.43Å
51T90.9Very high91.4Very high23 Ų2355.1 Ų55.114%0.14128%0.28CS..  trans-124.6150.4177.2115.70000111D53 H68 A69 P70T51-D53 VanDerWaalsContact C-N 3.3Å; T51-D53 PolarHBondContact OG1-N 3.1Å; T51-D53 PolarHBondContact OG1-O 3.31Å; T51-D53 VanDerWaalsContact OG1-O 3.06Å; T51-H68 HydrophobicContact CG2-CB 3.58Å; T51-A69 PolarHBondContact N-O 2.84Å; T51-P70 VanDerWaalsContact O-CA 3.3Å; T51-P70 WeakPolarHBondContact O-CA 3.22Å
52P88.7Confident91.5Very high124 Ų12457.5 Ų57.581%0.80529%0.287SS*.SBendtrans-74.9-21.8172.631.8-34.5000112.9
53D89.8Confident91.7Very high73 Ų7360.2 Ų60.239%0.3930%0.3SS..SBendtrans-75.9140-179-56.4-45.3000110.2T51 R55T51-D53 VanDerWaalsContact C-N 3.3Å; T51-D53 PolarHBondContact OG1-N 3.1Å; T51-D53 PolarHBondContact OG1-O 3.31Å; T51-D53 VanDerWaalsContact OG1-O 3.06Å; D53-R55 HydrophobicContact CB-CG 3.73Å; D53-R55 PolarHBondContact O-N 3.45Å; D53-R55 IonicContact OD2-CZ 3.57Å; D53-R55 VanDerWaalsContact OD2-CZ 3.29Å; D53-R55 IonicContact OD2-NE 3.35Å; D53-R55 PolarHBondContact OD2-NE 3.5Å; D53-R55 IonicContact OD2-NH2 3.78Å; D53-R55 PolarHBondContact OD2-NH2 2.91Å
54L90.7Very high91.9Very high60 Ų6051.9 Ų51.931%0.31427%0.27SS..SBendtrans-74.959.3178.5-59.7-178.1000111.3P70 L120 F161 S163L54-P70 HydrophobicContact CD2-CB 4.24Å; L54-L120 HydrophobicContact CD1-CD2 4.28Å; L54-L120 HydrophobicContact CD2-CD2 3.78Å; L54-L120 HydrophobicContact CG-CD2 4.48Å; L54-F161 HydrophobicContact CB-CB 4.44Å; L54-F161 VanDerWaalsContact CB-O 3.24Å; L54-F161 WeakPolarHBondContact CB-O 3.42Å; L54-F161 WeakPolarHBondContact O-CA 3.2Å; L54-F161 WeakPolarHBondContact O-CB 3.43Å; L54-F161 PolarHBondContact O-N 3.11Å; L54-S163 WeakPolarHBondContact CD1-OG 3.42Å
55R92.4Very high92.1Very high115 Ų11551.8 Ų51.843%0.43427%0.269SS..EExtended strand (participates in β ladder)trans-137.7143.9-179.656.2-177.6163.1176-4.4111.8D53 P70 T158 F159D53-R55 HydrophobicContact CB-CG 3.73Å; D53-R55 PolarHBondContact O-N 3.45Å; D53-R55 IonicContact OD2-CZ 3.57Å; D53-R55 VanDerWaalsContact OD2-CZ 3.29Å; D53-R55 IonicContact OD2-NE 3.35Å; D53-R55 PolarHBondContact OD2-NE 3.5Å; D53-R55 IonicContact OD2-NH2 3.78Å; D53-R55 PolarHBondContact OD2-NH2 2.91Å; R55-P70 WeakPolarHBondContact O-CD 3.28Å; R55-T158 HydrophobicContact CB-CG2 4.2Å; R55-F159 CarbonylContact C-O 3.31Å; R55-F159 WeakPolarHBondContact CA-O 3.43Å; R55-F159 WeakPolarHBondContact CB-O 3.17Å
56I93.1Very high92.2Very high0 Ų051 Ų510%026%0.263CS..EExtended strand (participates in β ladder)trans-106.7113.6169.1-62.1174.4000107.1F32 I58 H68 A69 L92 W94 F159 F161F32-I56 HydrophobicContact CD1-CD1 4.34Å; F32-I56 HydrophobicContact CE1-CD1 4.44Å; I56-I58 HydrophobicContact CG2-CD1 4.16Å; I56-H68 CarbonylContact C-O 3.51Å; I56-H68 VanDerWaalsContact CA-O 3.22Å; I56-H68 WeakPolarHBondContact CA-O 3.39Å; I56-A69 HydrophobicContact CG1-CB 4.09Å; I56-L92 HydrophobicContact CG2-CD2 3.85Å; I56-W94 HydrophobicContact CD1-CE3 4.28Å; I56-F159 PolarHBondContact N-O 3.42Å; I56-F159 PolarHBondContact O-N 3.37Å; I56-F161 HydrophobicContact CB-CE2 3.96Å; I56-F161 HydrophobicContact CD1-CE2 3.68Å; I56-F161 HydrophobicContact CD1-CZ 3.85Å; I56-F161 HydrophobicContact CG1-CD2 4.44Å; I56-F161 HydrophobicContact CG1-CE2 3.62Å; I56-F161 HydrophobicContact CG1-CZ 4.3Å
57S92.4Very high92.3Very high8 Ų850.9 Ų50.96%0.05626%0.262CS..EExtended strand (participates in β ladder)trans-111.1136.3171.883.80000111.3E59 V67 H68 F157 T158S57-E59 PolarHBondContact OG-OE1 3.38Å; S57-V67 WeakPolarHBondContact O-CA 3.43Å; S57-H68 PolarHBondContact N-O 3.49Å; S57-H68 PolarHBondContact O-N 3.21Å; S57-H68 VanDerWaalsContact OG-CB 3.29Å; S57-H68 WeakPolarHBondContact OG-CB 3.46Å; S57-H68 PolarHBondContact OG-ND1 3Å; S57-F157 CarbonylContact C-O 3.05Å; S57-F157 VanDerWaalsContact CA-O 3.24Å; S57-F157 WeakPolarHBondContact CA-O 3.44Å; S57-T158 WeakPolarHBondContact CB-OG1 3.25Å
58I94.1Very high92.3Very high0 Ų049.7 Ų49.70%026%0.257CS..EExtended strand (participates in β ladder)trans-115.8117173.7-57.1103.7000107.1F34 I56 L65 F90 L92 L135 S156 F157 F159F34-I58 HydrophobicContact CD1-CD1 3.89Å; F34-I58 HydrophobicContact CD1-CG1 4.25Å; F34-I58 HydrophobicContact CD2-CD1 4.28Å; F34-I58 HydrophobicContact CE1-CB 4.36Å; F34-I58 HydrophobicContact CE1-CD1 4.11Å; F34-I58 HydrophobicContact CE1-CG1 4.27Å; F34-I58 HydrophobicContact CE1-CG2 4.17Å; F34-I58 HydrophobicContact CE2-CD1 4.43Å; F34-I58 HydrophobicContact CG-CD1 3.98Å; F34-I58 HydrophobicContact CZ-CD1 4.37Å; I56-I58 HydrophobicContact CG2-CD1 4.16Å; I58-L65 HydrophobicContact CG2-CD1 3.85Å; I58-F90 HydrophobicContact CG2-CE2 4.47Å; I58-F90 HydrophobicContact CG2-CZ 4.46Å; I58-L92 HydrophobicContact CD1-CD2 4.17Å; I58-L92 HydrophobicContact CG1-CD2 4.11Å; I58-L135 HydrophobicContact CG2-CD1 4.24Å; I58-S156 WeakPolarHBondContact O-CA 3.3Å; I58-F157 PolarHBondContact N-O 3.18Å; I58-F157 PolarHBondContact O-N 3.19Å; I58-F159 HydrophobicContact CD1-CD2 4.09Å; I58-F159 HydrophobicContact CD1-CE2 3.73Å
59E93Very high92.3Very high82 Ų8249.2 Ų49.238%0.38326%0.255SS..EExtended strand (participates in β ladder)trans-118.2125.7-177.9-72.5167.5-151.600110.6S57 T66 H68S57-E59 PolarHBondContact OG-OE1 3.38Å; E59-T66 PolarHBondContact N-O 3.19Å; E59-T66 PolarHBondContact O-N 3.36Å; E59-H68 IonicContact OE1-CE1 3.66Å; E59-H68 PolarHBondContact OE1-CE1 3.33Å; E59-H68 IonicContact OE1-ND1 2.85Å; E59-H68 PolarHBondContact OE1-ND1 2.99Å; E59-H68 IonicContact OE2-CE1 2.6Å
60N93.1Very high92.2Very high10 Ų1045.4 Ų45.45%0.05324%0.242CC..EExtended strand (participates in β ladder)trans-106.9119.7-176.5-166.553.8000111.3R38 L65 P133 L135 A155R38-N60 WeakPolarHBondContact CD-OD1 3.48Å; R38-N60 WeakPolarHBondContact CG-OD1 3.34Å; R38-N60 PolarHBondContact NE-OD1 3.38Å; R38-N60 PolarHBondContact NH1-OD1 2.76Å; N60-L65 HydrophobicContact CB-CD1 4.37Å; N60-P133 PolarHBondContact ND2-O 2.85Å; N60-L135 HydrophobicContact CB-CD1 4.11Å; N60-L135 HydrophobicContact CB-CD2 3.85Å; N60-L135 HydrophobicContact CB-CG 3.71Å; N60-L135 VanDerWaalsContact CG-CD2 3.48Å; N60-A155 VanDerWaalsContact CB-O 3.28Å; N60-A155 WeakPolarHBondContact CB-O 3.37Å; N60-A155 PolarHBondContact N-O 2.93Å
61S90.8Very high92.3Very high49 Ų4941.9 Ų41.934%0.34322%0.218SC..  trans-121.3173.6171.869.80000110.5R38 E63 A64R38-S61 PolarHBondContact NH1-O 3.34Å; R38-S61 PolarHBondContact NH2-O 3.12Å; S61-E63 PolarHBondContact O-N 2.8Å; S61-A64 PolarHBondContact N-O 3.06Å; S61-A64 PolarHBondContact OG-N 3.27Å; S61-A64 PolarHBondContact OG-O 3.15Å
62E88.4Confident92.3Very high108 Ų10844 Ų4451%0.50523%0.233SC..SBendtrans-66.3-36.6177.9-63.1-175.6164.500113.2R38 P133R38-E62 VanDerWaalsContact NH2-C 3.34Å; R38-E62 PolarHBondContact NH2-O 3.5Å; E62-P133 HydrophobicContact CG-CG 4.14Å
63E89.9Confident92.5Very high141 Ų14139.4 Ų39.466%0.65921%0.205SC*.SBendtrans-96.1-19-174.1-59.7-175.617000113.8S44 S45 S61S44-E63 CarbonylContact C-O 3.56Å; S44-E63 WeakPolarHBondContact CA-O 3.46Å; S44-E63 PolarHBondContact OG-O 3.42Å; S45-E63 PolarHBondContact N-O 3.13Å; S61-E63 PolarHBondContact O-N 2.8Å
64A91.7Very high92.4Very high7 Ų736.4 Ų36.46%0.05819%0.19CC..EExtended strand (participates in β ladder)trans-152.4154-177.600000114.4R38 S45 H47 S61R38-A64 PolarHBondContact NH1-O 3.43Å; S45-A64 CarbonylContact O-C 3.58Å; S45-A64 WeakPolarHBondContact O-CA 3.41Å; S45-A64 WeakPolarHBondContact O-CB 3.48Å; H47-A64 VanDerWaalsContact CD2-CB 3.46Å; H47-A64 WeakPolarHBondContact CD2-CB 3.49Å; S61-A64 PolarHBondContact N-O 3.06Å; S61-A64 PolarHBondContact OG-N 3.27Å; S61-A64 PolarHBondContact OG-O 3.15Å
65L93.6Very high92.2Very high0 Ų042 Ų420%022%0.215CC..EExtended strand (participates in β ladder)trans-106.5115.9163-175.869.4000107.4S45 L46 H47 I58 N60 F81 F90 L103S45-L65 PolarHBondContact O-N 2.83Å; L46-L65 WeakPolarHBondContact CA-O 3.38Å; H47-L65 PolarHBondContact N-O 2.89Å; I58-L65 HydrophobicContact CG2-CD1 3.85Å; N60-L65 HydrophobicContact CB-CD1 4.37Å; L65-F81 HydrophobicContact CB-CE2 3.72Å; L65-F81 HydrophobicContact CB-CZ 3.91Å; L65-F81 HydrophobicContact CD2-CZ 4.05Å; L65-F90 HydrophobicContact CD1-CE1 4.5Å; L65-F90 HydrophobicContact CD1-CZ 4.09Å; L65-F90 HydrophobicContact CD2-CD1 4.46Å; L65-F90 HydrophobicContact CD2-CD2 4.24Å; L65-F90 HydrophobicContact CD2-CE1 4.25Å; L65-F90 HydrophobicContact CD2-CE2 4.01Å; L65-F90 HydrophobicContact CD2-CG 4.44Å; L65-F90 HydrophobicContact CD2-CZ 4.01Å; L65-L103 HydrophobicContact CD2-CD1 4.44Å; L65-L103 HydrophobicContact CD2-CD2 3.79Å
66T94Very high91.8Very high14 Ų1440.4 Ų40.49%0.08622%0.219CC..EExtended strand (participates in β ladder)trans-104.4126.1-178.7-52.90000109.6H47 K49 E59 H68H47-T66 HydrophobicContact CB-CG2 4.15Å; H47-T66 CarbonylContact O-C 3.41Å; H47-T66 WeakPolarHBondContact O-CA 3.47Å; K49-T66 HydrophobicContact CD-CG2 4.01Å; K49-T66 HydrophobicContact CG-CG2 4.43Å; E59-T66 PolarHBondContact N-O 3.19Å; E59-T66 PolarHBondContact O-N 3.36Å; T66-H68 VanDerWaalsContact CG2-CE1 3.45Å; T66-H68 WeakPolarHBondContact CG2-CE1 3.47Å
67V95.2Very high91.2Very high0 Ų042.3 Ų42.30%023%0.234CC..EExtended strand (participates in β ladder)trans-113.3119.2174.4-179.20000108.4L46 H47 Y48 K49 S57 L92 L112L46-V67 HydrophobicContact CD1-CG2 4.31Å; H47-V67 PolarHBondContact O-N 3.09Å; Y48-V67 WeakPolarHBondContact CA-O 3.28Å; Y48-V67 HydrophobicContact CD2-CB 4.19Å; Y48-V67 HydrophobicContact CD2-CG1 4.19Å; Y48-V67 WeakPolarHBondContact CD2-O 3.41Å; Y48-V67 HydrophobicContact CE2-CG1 4.31Å; K49-V67 PolarHBondContact N-O 3.37Å; S57-V67 WeakPolarHBondContact O-CA 3.43Å; V67-L92 HydrophobicContact CG1-CD1 4.36Å; V67-L92 HydrophobicContact CG1-CD2 4.11Å; V67-L112 HydrophobicContact CB-CD1 4.15Å; V67-L112 HydrophobicContact CG1-CD1 3.97Å; V67-L112 HydrophobicContact CG2-CD1 4.32Å
68H94.7Very high90.8Very high32 Ų3245 Ų4515%0.14825%0.253CS..EExtended strand (participates in β ladder)trans-101.4131.7171-59.895.4000109K49 T51 I56 S57 E59 T66K49-H68 VanDerWaalsContact CB-CD2 3.45Å; K49-H68 WeakPolarHBondContact CB-CD2 3.48Å; K49-H68 WeakPolarHBondContact CD-NE2 3.1Å; K49-H68 VanDerWaalsContact O-CA 3.31Å; K49-H68 WeakPolarHBondContact O-CA 3.29Å; T51-H68 HydrophobicContact CG2-CB 3.58Å; I56-H68 CarbonylContact C-O 3.51Å; I56-H68 VanDerWaalsContact CA-O 3.22Å; I56-H68 WeakPolarHBondContact CA-O 3.39Å; S57-H68 PolarHBondContact N-O 3.49Å; S57-H68 PolarHBondContact O-N 3.21Å; S57-H68 VanDerWaalsContact OG-CB 3.29Å; S57-H68 WeakPolarHBondContact OG-CB 3.46Å; S57-H68 PolarHBondContact OG-ND1 3Å; E59-H68 IonicContact OE1-CE1 3.66Å; E59-H68 PolarHBondContact OE1-CE1 3.33Å; E59-H68 IonicContact OE1-ND1 2.85Å; E59-H68 PolarHBondContact OE1-ND1 2.99Å; E59-H68 IonicContact OE2-CE1 2.6Å; T66-H68 VanDerWaalsContact CG2-CE1 3.45Å; T66-H68 WeakPolarHBondContact CG2-CE1 3.47Å
69A95Very high90.6Very high0 Ų047.9 Ų47.90%026%0.264CS..EExtended strand (participates in β ladder)trans-153.9159.7178.100000111.4Y48 K49 P50 T51 I56 F71 L101Y48-A69 HydrophobicContact CE2-CB 3.82Å; K49-A69 PolarHBondContact O-N 2.94Å; P50-A69 WeakPolarHBondContact CA-O 3.44Å; T51-A69 PolarHBondContact N-O 2.84Å; I56-A69 HydrophobicContact CG1-CB 4.09Å; A69-F71 HydrophobicContact CB-CD2 4.1Å; A69-F71 PolarHBondContact O-N 3.18Å; A69-L101 HydrophobicContact CB-CD2 3.84Å
70P92.8Very high90.4Very high30 Ų3047 Ų4720%0.19527%0.267CS..SBendtrans-77.515.2-175.931.5-35.6000115.2T51 L54 R55 L120T51-P70 VanDerWaalsContact O-CA 3.3Å; T51-P70 WeakPolarHBondContact O-CA 3.22Å; L54-P70 HydrophobicContact CD2-CB 4.24Å; R55-P70 WeakPolarHBondContact O-CD 3.28Å; P70-L120 HydrophobicContact CG-CD1 3.71Å
71F93.5Very high90.3Very high4 Ų446.6 Ų46.62%0.01827%0.265CS..SBendtrans-110.8150.4-173.3-44.3-60.2000111.6Y48 P50 A69 W94 L101 S113 A116 S118 L120Y48-F71 WeakPolarHBondContact OH-CB 3.37Å; Y48-F71 PolarHBondContact OH-O 3.5Å; P50-F71 WeakPolarHBondContact CB-O 3.43Å; A69-F71 HydrophobicContact CB-CD2 4.1Å; A69-F71 PolarHBondContact O-N 3.18Å; F71-W94 HydrophobicContact CE1-CZ2 4.44Å; F71-W94 HydrophobicContact CE2-CD2 4.24Å; F71-W94 HydrophobicContact CE2-CG 4.34Å; F71-W94 HydrophobicContact CZ-CD2 4.04Å; F71-W94 AromaticContact CZ-CE2 3.57Å; F71-W94 HydrophobicContact CZ-CH2 4.45Å; F71-W94 AromaticContact CZ-CZ2 3.81Å; F71-W94 HydrophobicContact CZ-CZ2 3.81Å; F71-W94 AromaticContact CZ-NE1 3.68Å; F71-L101 HydrophobicContact CD2-CB 4.33Å; F71-L101 HydrophobicContact CD2-CD2 3.99Å; F71-L101 HydrophobicContact CE2-CD2 4.48Å; F71-S113 WeakPolarHBondContact CB-OG 3.46Å; F71-A116 HydrophobicContact CB-CB 4.1Å; F71-A116 HydrophobicContact CD1-CB 3.89Å; F71-A116 HydrophobicContact CD2-CB 3.63Å; F71-A116 HydrophobicContact CE1-CB 4.19Å; F71-A116 HydrophobicContact CE2-CB 3.96Å; F71-A116 HydrophobicContact CG-CB 3.59Å; F71-A116 HydrophobicContact CZ-CB 4.23Å; F71-S118 WeakPolarHBondContact CE1-OG 3.47Å; F71-L120 HydrophobicContact CE1-CD1 4Å; F71-L120 HydrophobicContact CZ-CD1 3.87Å
72P92.3Very high90Very high68 Ų6845 Ų4544%0.44225%0.253SS..PPolyproline II helixtrans-60.5140.4175.6-23.333.8000112.5S113 K115P72-S113 WeakPolarHBondContact O-CB 3.34Å; P72-S113 PolarHBondContact O-OG 3.48Å; P72-K115 HydrophobicContact CG-CB 4.08Å; P72-K115 HydrophobicContact CG-CD 4.36Å
73A91.3Very high89.6Confident26 Ų2645 Ų4522%0.21526%0.257CS..PPolyproline II helixtrans-71.6132.4179.400000113.1Y48 A77Y48-A73 HydrophobicContact CD1-CB 3.51Å; Y48-A73 VanDerWaalsContact CE1-CA 3.49Å; Y48-A73 HydrophobicContact CE1-CB 3.79Å; A73-A77 HydrophobicContact CB-CB 4.28Å
74A88.9Confident89Confident10 Ų1042.3 Ų42.38%0.08325%0.252CS..PPolyproline II helixtrans-74.3138.4164.400000109.9P76 A77 L111 L112A74-P76 CarbonylContact O-C 3.51Å; A74-P76 VanDerWaalsContact O-C 3.25Å; A74-A77 PolarHBondContact O-N 2.89Å; A74-L111 HydrophobicContact CB-CD2 4.16Å; A74-L111 HydrophobicContact CB-CG 3.97Å; A74-L112 WeakPolarHBondContact CB-O 3.49Å; A74-L112 PolarHBondContact N-O 3.5Å
75H85.9Confident88.6Confident179 Ų17950.8 Ų50.883%0.82928%0.282SS*.SBendtrans-84.3136.6-179.3-66.370.7000110.6
76P84.5Confident88.4Confident80 Ų8052 Ų5252%0.51929%0.294SS..SBendcis-79.8143.7-7.931-32.6000112.1A74 S78 R79A74-P76 CarbonylContact O-C 3.51Å; A74-P76 VanDerWaalsContact O-C 3.25Å; P76-S78 VanDerWaalsContact C-N 3.32Å; P76-S78 PolarHBondContact O-N 3.29Å; P76-R79 HydrophobicContact CG-CG 4Å; P76-R79 PolarHBondContact O-NE 2.94Å; P76-R79 PolarHBondContact O-NH2 2.96Å; P76-R79 VanDerWaalsContact O-NH2 3.14Å
77A79.3Confident88.2Confident40 Ų4056 Ų5633%0.33132%0.315SS..SBendtrans-72.3-20.8-177.800000114.3Y48 A73 A74Y48-A77 PolarHBondContact N-O 3.38Å; A73-A77 HydrophobicContact CB-CB 4.28Å; A74-A77 PolarHBondContact O-N 2.89Å
78S84.7Confident88.1Confident65 Ų6557.6 Ų57.646%0.45532%0.321SS..EExtended strand (participates in β ladder)trans-122.4130.1178.4-58.50000110.3L46 H47 P76L46-S78 CarbonylContact O-C 3.5Å; L46-S78 VanDerWaalsContact O-CA 3.22Å; L46-S78 WeakPolarHBondContact O-CA 3.34Å; H47-S78 WeakPolarHBondContact ND1-CB 3.3Å; H47-S78 PolarHBondContact ND1-OG 2.82Å; P76-S78 VanDerWaalsContact C-N 3.32Å; P76-S78 PolarHBondContact O-N 3.29Å
79R90.5Very high88.1Confident60 Ų6060.2 Ų60.223%0.22633%0.333CS..EExtended strand (participates in β ladder)trans-141.2138.9-177.1-63.2175.3-166159.916110.3S45 L46 P76 F110 L111S45-R79 CarbonylContact C-O 3.48Å; S45-R79 WeakPolarHBondContact CA-O 3.36Å; L46-R79 PolarHBondContact N-O 3.43Å; L46-R79 PolarHBondContact O-N 3.43Å; P76-R79 HydrophobicContact CG-CG 4Å; P76-R79 PolarHBondContact O-NE 2.94Å; P76-R79 PolarHBondContact O-NH2 2.96Å; P76-R79 VanDerWaalsContact O-NH2 3.14Å; R79-F110 HydrophobicContact CB-CD1 4.02Å; R79-F110 HydrophobicContact CB-CE1 3.92Å; R79-L111 VanDerWaalsContact CZ-O 3.32Å; R79-L111 PolarHBondContact NH1-O 3.34Å; R79-L111 PolarHBondContact NH2-O 2.95Å
80S89.2Confident88.1Confident63 Ų6360.2 Ų60.244%0.44133%0.333SS..EExtended strand (participates in β ladder)trans-74.1137.7177.155.20000111.6
81F90.7Very high88.2Confident2 Ų259 Ų591%0.00933%0.325CS..PPolyproline II helixtrans-71.5166.2170.8-73.2-53.2000111.8S44 L46 L65 L103 Y105 F110S44-F81 WeakPolarHBondContact O-CB 3.35Å; S44-F81 PolarHBondContact O-N 2.97Å; S44-F81 WeakPolarHBondContact OG-CD2 3.36Å; L46-F81 HydrophobicContact CB-CE1 3.84Å; L46-F81 HydrophobicContact CB-CE2 4.11Å; L46-F81 HydrophobicContact CB-CZ 3.58Å; L46-F81 HydrophobicContact CD1-CZ 4.05Å; L46-F81 HydrophobicContact CD2-CE1 4.37Å; L46-F81 HydrophobicContact CG-CZ 4.27Å; L65-F81 HydrophobicContact CB-CE2 3.72Å; L65-F81 HydrophobicContact CB-CZ 3.91Å; L65-F81 HydrophobicContact CD2-CZ 4.05Å; F81-L103 HydrophobicContact CE1-CD2 4.15Å; F81-L103 HydrophobicContact CZ-CD2 4.14Å; F81-Y105 HydrophobicContact CB-CE1 4.18Å; F81-Y105 AromaticContact CD1-CD1 3.58Å; F81-Y105 HydrophobicContact CD1-CD1 3.58Å; F81-Y105 HydrophobicContact CD1-CD2 4.06Å; F81-Y105 AromaticContact CD1-CE1 3.85Å; F81-Y105 HydrophobicContact CD1-CE1 3.85Å; F81-Y105 HydrophobicContact CD1-CE2 4.34Å; F81-Y105 AromaticContact CD1-CG 3.69Å; F81-Y105 HydrophobicContact CD1-CG 3.69Å; F81-Y105 AromaticContact CE1-CD1 3.93Å; F81-Y105 HydrophobicContact CE1-CD1 3.93Å; F81-Y105 AromaticContact CE1-CD2 3.57Å; F81-Y105 HydrophobicContact CE1-CD2 3.57Å; F81-Y105 HydrophobicContact CE1-CE1 4.34Å; F81-Y105 HydrophobicContact CE1-CE2 4.05Å; F81-Y105 AromaticContact CE1-CG 3.51Å; F81-Y105 HydrophobicContact CE1-CG 3.51Å; F81-Y105 HydrophobicContact CE2-CD2 4.5Å; F81-Y105 HydrophobicContact CE2-CE2 4.23Å; F81-Y105 HydrophobicContact CG-CD1 4.17Å; F81-Y105 AromaticContact CG-CE1 3.95Å; F81-Y105 HydrophobicContact CG-CE1 3.95Å; F81-Y105 AromaticContact CZ-CD2 3.8Å; F81-Y105 HydrophobicContact CZ-CD2 3.8Å; F81-Y105 AromaticContact CZ-CE2 3.98Å; F81-Y105 HydrophobicContact CZ-CE2 3.98Å; F81-Y105 HydrophobicContact CZ-CG 4.23Å; F81-F110 AromaticContact CD1-CE2 3.85Å; F81-F110 HydrophobicContact CD1-CE2 3.85Å; F81-F110 AromaticContact CD1-CZ 3.84Å; F81-F110 HydrophobicContact CD1-CZ 3.84Å; F81-F110 HydrophobicContact CE1-CD2 4.34Å; F81-F110 AromaticContact CE1-CE2 3.96Å; F81-F110 HydrophobicContact CE1-CE2 3.96Å; F81-F110 HydrophobicContact CE1-CZ 4.26Å
82P83.5Confident88.3Confident16 Ų1658.8 Ų58.810%0.10433%0.325CS..PPolyproline II helixtrans-57.6145.5172.6-21.132.3000112.8Q40 R108Q40-P82 PolarHBondContact NE2-O 3.4Å; P82-R108 HydrophobicContact CG-CG 4.27Å
83D79.7Confident88.4Confident108 Ų10857.5 Ų57.558%0.57831%0.311SS*.SBendtrans-79.9-13.9-174.7-65.3-53000117.9R43 R85R43-D83 IonicContact NE-OD1 3.47Å; D83-R85 PolarHBondContact O-N 2.84Å
84P78.9Confident88.5Confident85 Ų8556.4 Ų56.455%0.55230%0.301SS*.  trans-62.4126.9169.4-6.216.7000109.1Y88P84-Y88 WeakPolarHBondContact CB-OH 3.25Å; P84-Y88 WeakPolarHBondContact CD-OH 3.48Å; P84-Y88 WeakPolarHBondContact CG-OH 3.46Å; P84-Y88 WeakPolarHBondContact O-CE2 3.49Å; P84-Y88 VanDerWaalsContact O-CZ 3.31Å; P84-Y88 PolarHBondContact O-OH 3.16Å
85R82.4Confident88.6Confident184 Ų18457.3 Ų57.369%0.69431%0.305SS*.  trans-78.7146172.3-64.2175.9-173-173.84.5109.6Q40 T41 D83Q40-R85 WeakPolarHBondContact O-CA 3.36Å; Q40-R85 WeakPolarHBondContact O-CB 3.39Å; T41-R85 VanDerWaalsContact O-CD 3.28Å; T41-R85 WeakPolarHBondContact O-CD 3.45Å; T41-R85 PolarHBondContact O-NE 2.89Å; D83-R85 PolarHBondContact O-N 2.84Å
86G88.5Confident88.7Confident25 Ų2549.3 Ų49.326%0.25827%0.268SS..EExtended strand (participates in β ladder)trans149.1-168.3-179.800000113.7Q40 Y88Q40-G86 PolarHBondContact N-O 3.44Å; Q40-G86 PolarHBondContact O-N 3.16Å; Q40-G86 VanDerWaalsContact O-N 3.12Å; G86-Y88 WeakPolarHBondContact O-CD2 3.34Å
87L91.2Very high88.6Confident100 Ų10048.4 Ų48.452%0.52426%0.256SS..EExtended strand (participates in β ladder)trans-81.3117.9179.7-169.771.3000110.4Q37 N39Q37-L87 HydrophobicContact CB-CD1 4.13Å; Q37-L87 HydrophobicContact CB-CG 4.46Å; N39-L87 HydrophobicContact CB-CD1 4.49Å
88Y92.5Very high89Confident32 Ų3249.6 Ų49.613%0.12527%0.266CS..EExtended strand (participates in β ladder)trans-109.1131174.5-76-92.4000110.5Q37 R38 Q40 P84 G86 Y105Q37-Y88 CarbonylContact C-O 3.58Å; Q37-Y88 VanDerWaalsContact CA-O 3.32Å; Q37-Y88 WeakPolarHBondContact CA-O 3.32Å; R38-Y88 PolarHBondContact N-O 3.21Å; R38-Y88 PolarHBondContact O-N 3.31Å; Q40-Y88 HydrophobicContact CB-CD2 3.94Å; Q40-Y88 HydrophobicContact CB-CE2 4.18Å; P84-Y88 WeakPolarHBondContact CB-OH 3.25Å; P84-Y88 WeakPolarHBondContact CD-OH 3.48Å; P84-Y88 WeakPolarHBondContact CG-OH 3.46Å; P84-Y88 WeakPolarHBondContact O-CE2 3.49Å; P84-Y88 VanDerWaalsContact O-CZ 3.31Å; P84-Y88 PolarHBondContact O-OH 3.16Å; G86-Y88 WeakPolarHBondContact O-CD2 3.34Å; Y88-Y105 AromaticContact CD1-CD1 3.81Å; Y88-Y105 HydrophobicContact CD1-CD1 3.81Å; Y88-Y105 AromaticContact CD1-CE1 3.42Å; Y88-Y105 HydrophobicContact CD1-CE1 3.42Å; Y88-Y105 VanDerWaalsContact CD1-CE1 3.42Å; Y88-Y105 AromaticContact CD2-CE1 3.86Å; Y88-Y105 HydrophobicContact CD2-CE1 3.86Å; Y88-Y105 HydrophobicContact CE1-CD1 4.46Å; Y88-Y105 HydrophobicContact CE1-CE1 4.06Å; Y88-Y105 HydrophobicContact CE2-CE1 4.43Å; Y88-Y105 HydrophobicContact CG-CD1 4.09Å; Y88-Y105 AromaticContact CG-CE1 3.3Å; Y88-Y105 HydrophobicContact CG-CE1 3.3Å; Y88-Y105 AromaticContact CG-CZ 3.64Å
89H94.4Very high89.3Confident88 Ų8847 Ų4741%0.40725%0.249SC..EExtended strand (participates in β ladder)trans-84135.2163.3-176.759.7000109.3S36 Q37 C91 G106S36-H89 PolarHBondContact O-ND1 3.34Å; S36-H89 VanDerWaalsContact O-ND1 3.12Å; Q37-H89 HydrophobicContact CG-CB 4.34Å; H89-C91 PolarHBondContact NE2-SG 3.46Å; H89-C91 VanDerWaalsContact NE2-SG 3.41Å; H89-G106 PolarHBondContact O-N 3.4Å
90F95.2Very high89.3Confident0 Ų048.2 Ų48.20%025%0.254CS..EExtended strand (participates in β ladder)trans-137.8152173.473-94.9000111.7F34 C35 S36 R38 I58 L65 L103 L104 Y105 L135F34-F90 HydrophobicContact CD1-CE2 4.13Å; F34-F90 AromaticContact CE1-CE2 3.83Å; F34-F90 HydrophobicContact CE1-CE2 3.83Å; F34-F90 HydrophobicContact CE1-CZ 4.1Å; C35-F90 CarbonylContact C-O 3.5Å; C35-F90 WeakPolarHBondContact CA-O 3.23Å; S36-F90 PolarHBondContact N-O 3.24Å; S36-F90 PolarHBondContact O-N 2.93Å; S36-F90 VanDerWaalsContact O-O 3.1Å; R38-F90 HydrophobicContact CB-CD1 4.35Å; R38-F90 HydrophobicContact CB-CE1 4Å; I58-F90 HydrophobicContact CG2-CE2 4.47Å; I58-F90 HydrophobicContact CG2-CZ 4.46Å; L65-F90 HydrophobicContact CD1-CE1 4.5Å; L65-F90 HydrophobicContact CD1-CZ 4.09Å; L65-F90 HydrophobicContact CD2-CD1 4.46Å; L65-F90 HydrophobicContact CD2-CD2 4.24Å; L65-F90 HydrophobicContact CD2-CE1 4.25Å; L65-F90 HydrophobicContact CD2-CE2 4.01Å; L65-F90 HydrophobicContact CD2-CG 4.44Å; L65-F90 HydrophobicContact CD2-CZ 4.01Å; F90-L103 HydrophobicContact CD2-CD1 3.59Å; F90-L103 HydrophobicContact CE2-CD1 4.18Å; F90-L103 HydrophobicContact CG-CD1 4.44Å; F90-L104 CarbonylContact C-O 3.46Å; F90-L104 WeakPolarHBondContact CA-O 3.47Å; F90-L104 WeakPolarHBondContact CB-O 3.19Å; F90-Y105 HydrophobicContact CB-CD2 3.49Å; F90-Y105 VanDerWaalsContact CB-CD2 3.49Å; F90-Y105 HydrophobicContact CB-CE2 4.25Å; F90-Y105 HydrophobicContact CB-CG 4.14Å; F90-Y105 HydrophobicContact CD1-CD2 4.13Å; F90-Y105 HydrophobicContact CD1-CE2 4.1Å; F90-Y105 HydrophobicContact CG-CD2 4.02Å; F90-Y105 HydrophobicContact CG-CE2 4.45Å; F90-L135 HydrophobicContact CE1-CD2 3.64Å; F90-L135 HydrophobicContact CZ-CD1 4.13Å; F90-L135 HydrophobicContact CZ-CD2 3.8Å
91C95.7Very high89.6Confident4 Ų445.2 Ų45.23%0.02723%0.233CC..EExtended strand (participates in β ladder)trans-134.3127174.9-67.30000110.1F34 C35 H89 Y93 L103 L104F34-C91 CarbonylContact O-C 3.5Å; F34-C91 VanDerWaalsContact O-CA 3.22Å; F34-C91 WeakPolarHBondContact O-CA 3.36Å; C35-C91 HydrophobicContact CB-CB 4.17Å; C35-C91 WeakPolarHBondContact CB-SG 3.29Å; C35-C91 WeakPolarHBondContact SG-CB 3.27Å; C35-C91 CovalentContact SG-SG 2.04Å; C35-C91 PolarHBondContact SG-SG 2.99Å; H89-C91 PolarHBondContact NE2-SG 3.46Å; H89-C91 VanDerWaalsContact NE2-SG 3.41Å; C91-Y93 HydrophobicContact CB-CD2 4.05Å; C91-Y93 HydrophobicContact CB-CE1 4.31Å; C91-Y93 HydrophobicContact CB-CE2 3.27Å; C91-Y93 VanDerWaalsContact CB-CZ 3.42Å; C91-Y93 WeakPolarHBondContact CB-OH 3.34Å; C91-Y93 WeakPolarHBondContact O-CD2 3.39Å; C91-L103 CarbonylContact O-C 3.56Å; C91-L103 WeakPolarHBondContact O-CA 3.32Å; C91-L104 PolarHBondContact N-O 3.49Å; C91-L104 PolarHBondContact O-N 3.38Å
92L95.7Very high89.8Confident0 Ų047 Ų470%024%0.241CC..EExtended strand (participates in β ladder)trans-89.8122.9168.3-179.869.2000107.9F32 R33 F34 I56 I58 V67 L101 L103 L112F32-L92 HydrophobicContact CE1-CD2 4.37Å; R33-L92 CarbonylContact C-O 3.54Å; R33-L92 VanDerWaalsContact CA-O 3.28Å; R33-L92 WeakPolarHBondContact CA-O 3.48Å; F34-L92 HydrophobicContact CB-CB 4.33Å; F34-L92 PolarHBondContact N-O 3.43Å; F34-L92 PolarHBondContact O-N 3.11Å; I56-L92 HydrophobicContact CG2-CD2 3.85Å; I58-L92 HydrophobicContact CD1-CD2 4.17Å; I58-L92 HydrophobicContact CG1-CD2 4.11Å; V67-L92 HydrophobicContact CG1-CD1 4.36Å; V67-L92 HydrophobicContact CG1-CD2 4.11Å; L92-L101 HydrophobicContact CD1-CD1 3.85Å; L92-L101 HydrophobicContact CD1-CG 4.09Å; L92-L101 HydrophobicContact CG-CD1 4.14Å; L92-L103 HydrophobicContact CB-CD1 3.88Å; L92-L103 HydrophobicContact CD1-CB 4.35Å; L92-L103 HydrophobicContact CD1-CD1 4.15Å; L92-L112 HydrophobicContact CD1-CD1 3.57Å
93Y94.4Very high90.3Very high41 Ų4146.2 Ų46.216%0.16124%0.236CC..EExtended strand (participates in β ladder)trans-118.7135.7176.5-52.5-97000110.4E30 R33 C91 L101 H102 L104E30-Y93 HydrophobicContact CG-CD1 4.13Å; E30-Y93 WeakPolarHBondContact OE1-CD1 3.49Å; E30-Y93 VanDerWaalsContact OE2-CD1 3.28Å; E30-Y93 WeakPolarHBondContact OE2-CD1 3.32Å; E30-Y93 WeakPolarHBondContact OE2-CE1 3.4Å; R33-Y93 HydrophobicContact CB-CD1 3.93Å; R33-Y93 HydrophobicContact CB-CE1 4.33Å; R33-Y93 HydrophobicContact CG-CD1 3.71Å; R33-Y93 HydrophobicContact CG-CE1 3.66Å; C91-Y93 HydrophobicContact CB-CD2 4.05Å; C91-Y93 HydrophobicContact CB-CE1 4.31Å; C91-Y93 HydrophobicContact CB-CE2 3.27Å; C91-Y93 VanDerWaalsContact CB-CZ 3.42Å; C91-Y93 WeakPolarHBondContact CB-OH 3.34Å; C91-Y93 WeakPolarHBondContact O-CD2 3.39Å; Y93-L101 WeakPolarHBondContact O-CA 3.41Å; Y93-H102 WeakPolarHBondContact CB-NE2 3.24Å; Y93-H102 AromaticContact CD2-NE2 3.69Å; Y93-H102 AromaticContact CG-NE2 3.84Å; Y93-H102 PolarHBondContact N-O 3.5Å; Y93-H102 PolarHBondContact O-N 2.95Å; Y93-L104 HydrophobicContact CD2-CB 4.46Å; Y93-L104 HydrophobicContact CE2-CB 3.89Å
94W93.7Very high91.1Very high2 Ų243.9 Ų43.91%0.00822%0.223CC..EExtended strand (participates in β ladder)trans-118.5119.1171.4175.228.4000109.1D31 F32 I56 F71 L101 A116 S118 L120 F161D31-W94 HydrophobicContact CB-CD2 4.44Å; D31-W94 HydrophobicContact CB-CE3 4.46Å; D31-W94 PolarHBondContact N-O 2.81Å; F32-W94 HydrophobicContact CB-CB 4.13Å; F32-W94 HydrophobicContact CB-CD2 4.49Å; F32-W94 HydrophobicContact CB-CE3 3.69Å; F32-W94 HydrophobicContact CB-CZ3 4.47Å; F32-W94 PolarHBondContact N-O 3.32Å; F32-W94 PolarHBondContact O-N 2.96Å; I56-W94 HydrophobicContact CD1-CE3 4.28Å; F71-W94 HydrophobicContact CE1-CZ2 4.44Å; F71-W94 HydrophobicContact CE2-CD2 4.24Å; F71-W94 HydrophobicContact CE2-CG 4.34Å; F71-W94 HydrophobicContact CZ-CD2 4.04Å; F71-W94 AromaticContact CZ-CE2 3.57Å; F71-W94 HydrophobicContact CZ-CH2 4.45Å; F71-W94 AromaticContact CZ-CZ2 3.81Å; F71-W94 HydrophobicContact CZ-CZ2 3.81Å; F71-W94 AromaticContact CZ-NE1 3.68Å; W94-L101 HydrophobicContact CB-CD1 3.7Å; W94-L101 HydrophobicContact CG-CD1 4.29Å; W94-A116 PolarHBondContact NE1-O 3.16Å; W94-S118 VanDerWaalsContact CZ2-O 3.29Å; W94-S118 WeakPolarHBondContact CZ2-O 3.41Å; W94-L120 HydrophobicContact CH2-CB 3.6Å; W94-L120 HydrophobicContact CH2-CD1 4.04Å; W94-L120 HydrophobicContact CH2-CG 3.95Å; W94-L120 HydrophobicContact CZ2-CD1 4.45Å; W94-L120 HydrophobicContact CZ2-CG 4.44Å; W94-L120 HydrophobicContact CZ3-CB 4.19Å; W94-F161 HydrophobicContact CZ3-CD1 4.43Å; W94-F161 HydrophobicContact CZ3-CE1 4.03Å; W94-F161 HydrophobicContact CZ3-CZ 4.44Å
95N90.5Very high91.7Very high29 Ų2939.8 Ų39.816%0.15520%0.197CC..EExtended strand (participates in β ladder)trans-121107.4175-178.8-22.9000109.1R29 H97 A98 G99 R100R29-N95 PolarHBondContact O-ND2 2.87Å; R29-N95 PolarHBondContact O-OD1 3.26Å; N95-H97 VanDerWaalsContact C-N 3.33Å; N95-H97 PolarHBondContact O-N 3.48Å; N95-H97 WeakPolarHBondContact OD1-CB 3.3Å; N95-H97 PolarHBondContact OD1-N 2.96Å; N95-A98 HydrophobicContact CB-CB 4.15Å; N95-A98 PolarHBondContact OD1-N 2.91Å; N95-G99 PolarHBondContact O-N 3.4Å; N95-G99 VanDerWaalsContact O-N 3.07Å; N95-R100 PolarHBondContact N-O 3.12Å; N95-R100 PolarHBondContact O-N 2.96Å
96R87.6Confident92.1Very high12 Ų1232.5 Ų32.55%0.04518%0.179CC..THydrogen-bonded Turntrans-62.9-38.9-179.7-179.2-179.158.3109.75.5112.3D31 G99 S117 E230D31-R96 IonicContact OD1-NE 2.79Å; D31-R96 WeakPolarHBondContact OD2-CB 3.24Å; D31-R96 PolarHBondContact OD2-N 3.37Å; R96-G99 PolarHBondContact O-N 2.99Å; R96-S117 VanDerWaalsContact CG-O 3.29Å; R96-S117 WeakPolarHBondContact CG-O 3.24Å; R96-E230 IonicContact CZ-OE1 3.26Å; R96-E230 IonicContact CZ-OE2 2.94Å; R96-E230 IonicContact NH1-OE2 2.77Å; R96-E230 PolarHBondContact NH1-OE2 3.41Å; R96-E230 VanDerWaalsContact NH2-CD 3.3Å; R96-E230 IonicContact NH2-OE1 3.42Å; R96-E230 PolarHBondContact NH2-OE1 3.36Å; R96-E230 IonicContact NH2-OE2 3.66Å; R96-E230 PolarHBondContact NH2-OE2 3.43Å
97H83.5Confident92.1Very high61 Ų6141.6 Ų41.628%0.28221%0.211SC..THydrogen-bonded Turntrans-69.7-38.6-176.1-56.284.1000111.5R29 D31 N95 D231R29-H97 PolarHBondContact NH1-NE2 3.05Å; D31-H97 IonicContact OD2-ND1 2.63Å; N95-H97 VanDerWaalsContact C-N 3.33Å; N95-H97 PolarHBondContact O-N 3.48Å; N95-H97 WeakPolarHBondContact OD1-CB 3.3Å; N95-H97 PolarHBondContact OD1-N 2.96Å; H97-D231 IonicContact CD2-OD1 3.46Å; H97-D231 PolarHBondContact CD2-OD1 2.92Å; H97-D231 IonicContact CD2-OD2 3.59Å; H97-D231 IonicContact NE2-OD1 2.92Å
98A87Confident92.1Very high65 Ų6543 Ų4354%0.53721%0.21SC..THydrogen-bonded Turntrans-78.2-9.4171.200000113N95 R100N95-A98 HydrophobicContact CB-CB 4.15Å; N95-A98 PolarHBondContact OD1-N 2.91Å; A98-R100 HydrophobicContact CB-CB 4.08Å; A98-R100 PolarHBondContact O-N 3.23Å
99G89.8Confident92Very high9 Ų945 Ų459%0.09322%0.222CC..THydrogen-bonded Turntrans61.724.9-172.400000113.1N95 R96 D114 K115 A116N95-G99 PolarHBondContact O-N 3.4Å; N95-G99 VanDerWaalsContact O-N 3.07Å; R96-G99 PolarHBondContact O-N 2.99Å; G99-D114 CarbonylContact O-C 3.56Å; G99-D114 WeakPolarHBondContact O-CA 3.43Å; G99-K115 PolarHBondContact O-N 3.14Å; G99-A116 PolarHBondContact O-N 3.43Å
100R92.4Very high92Very high86 Ų8641.4 Ų41.433%0.32521%0.206SC..EExtended strand (participates in β ladder)trans-117.5130.3-165.9-171.3170.4176.6175.7-3.8111.9N95 A98 H102 D109 L111 S113N95-R100 PolarHBondContact N-O 3.12Å; N95-R100 PolarHBondContact O-N 2.96Å; A98-R100 HydrophobicContact CB-CB 4.08Å; A98-R100 PolarHBondContact O-N 3.23Å; R100-H102 HydrophobicContact CG-CB 4.34Å; R100-D109 IonicContact CZ-OD2 3.84Å; R100-D109 IonicContact NH2-OD1 2.71Å; R100-D109 PolarHBondContact NH2-OD1 3.16Å; R100-D109 VanDerWaalsContact NH2-OD1 3.09Å; R100-D109 IonicContact NH2-OD2 2.75Å; R100-D109 PolarHBondContact NH2-OD2 3.37Å; R100-L111 HydrophobicContact CG-CD1 3.54Å; R100-S113 WeakPolarHBondContact CA-O 3.23Å
101L94.6Very high91.9Very high0 Ų043.9 Ų43.90%022%0.218CC..EExtended strand (participates in β ladder)trans-112.4122.6162-177.375000107.6Y48 A69 F71 L92 Y93 W94 L112 S113 A116Y48-L101 HydrophobicContact CE2-CD2 3.63Å; A69-L101 HydrophobicContact CB-CD2 3.84Å; F71-L101 HydrophobicContact CD2-CB 4.33Å; F71-L101 HydrophobicContact CD2-CD2 3.99Å; F71-L101 HydrophobicContact CE2-CD2 4.48Å; L92-L101 HydrophobicContact CD1-CD1 3.85Å; L92-L101 HydrophobicContact CD1-CG 4.09Å; L92-L101 HydrophobicContact CG-CD1 4.14Å; Y93-L101 WeakPolarHBondContact O-CA 3.41Å; W94-L101 HydrophobicContact CB-CD1 3.7Å; W94-L101 HydrophobicContact CG-CD1 4.29Å; L101-L112 HydrophobicContact CB-CB 4.46Å; L101-L112 HydrophobicContact CD2-CB 4.08Å; L101-L112 HydrophobicContact CD2-CD1 4.05Å; L101-L112 HydrophobicContact CG-CB 4.19Å; L101-L112 HydrophobicContact CG-CD1 4.21Å; L101-L112 WeakPolarHBondContact O-CA 3.25Å; L101-L112 WeakPolarHBondContact O-CB 3.13Å; L101-L112 PolarHBondContact O-N 3.31Å; L101-S113 PolarHBondContact N-O 3.43Å; L101-S113 PolarHBondContact O-N 3.45Å; L101-A116 HydrophobicContact CB-CB 4.08Å
102H94.4Very high91.8Very high39 Ų3943.9 Ų43.918%0.18122%0.218CC..EExtended strand (participates in β ladder)trans-143.5152.3178.472.2156.7000112.6Y93 R100 D109 F110Y93-H102 WeakPolarHBondContact CB-NE2 3.24Å; Y93-H102 AromaticContact CD2-NE2 3.69Å; Y93-H102 AromaticContact CG-NE2 3.84Å; Y93-H102 PolarHBondContact N-O 3.5Å; Y93-H102 PolarHBondContact O-N 2.95Å; R100-H102 HydrophobicContact CG-CB 4.34Å; H102-D109 WeakPolarHBondContact CB-OD1 3.48Å; H102-D109 IonicContact CE1-OD2 2.71Å; H102-D109 IonicContact CG-OD1 3.71Å; H102-D109 IonicContact ND1-OD1 2.77Å; H102-D109 PolarHBondContact ND1-OD1 2.9Å; H102-D109 IonicContact ND1-OD2 3.42Å; H102-D109 PolarHBondContact ND1-OD2 3.42Å; H102-F110 CarbonylContact C-O 3.58Å; H102-F110 VanDerWaalsContact CA-O 3.25Å; H102-F110 WeakPolarHBondContact CA-O 3.06Å; H102-F110 WeakPolarHBondContact CB-O 3.35Å
103L95.3Very high91.7Very high1 Ų143.9 Ų43.91%0.00522%0.218CC..EExtended strand (participates in β ladder)trans-112.5115.7178.5-175.684.7000108.7L46 L65 F81 F90 C91 L92 F110 L112L46-L103 HydrophobicContact CD1-CD2 3.61Å; L46-L103 HydrophobicContact CD2-CB 4.47Å; L46-L103 HydrophobicContact CD2-CD2 3.85Å; L46-L103 HydrophobicContact CG-CD2 4.34Å; L65-L103 HydrophobicContact CD2-CD1 4.44Å; L65-L103 HydrophobicContact CD2-CD2 3.79Å; F81-L103 HydrophobicContact CE1-CD2 4.15Å; F81-L103 HydrophobicContact CZ-CD2 4.14Å; F90-L103 HydrophobicContact CD2-CD1 3.59Å; F90-L103 HydrophobicContact CE2-CD1 4.18Å; F90-L103 HydrophobicContact CG-CD1 4.44Å; C91-L103 CarbonylContact O-C 3.56Å; C91-L103 WeakPolarHBondContact O-CA 3.32Å; L92-L103 HydrophobicContact CB-CD1 3.88Å; L92-L103 HydrophobicContact CD1-CB 4.35Å; L92-L103 HydrophobicContact CD1-CD1 4.15Å; L103-F110 HydrophobicContact CB-CB 4.35Å; L103-F110 PolarHBondContact N-O 2.78Å; L103-F110 WeakPolarHBondContact O-CB 3.38Å; L103-F110 PolarHBondContact O-N 3Å; L103-L112 HydrophobicContact CB-CD1 4.22Å; L103-L112 HydrophobicContact CB-CG 4.43Å
104L94.7Very high91.6Very high58 Ų5846.5 Ų46.530%0.30424%0.235SC..EExtended strand (participates in β ladder)trans-87.8111.9169.4-167.3128.7000108.3F90 C91 Y93 G106 R108F90-L104 CarbonylContact C-O 3.46Å; F90-L104 WeakPolarHBondContact CA-O 3.47Å; F90-L104 WeakPolarHBondContact CB-O 3.19Å; C91-L104 PolarHBondContact N-O 3.49Å; C91-L104 PolarHBondContact O-N 3.38Å; Y93-L104 HydrophobicContact CD2-CB 4.46Å; Y93-L104 HydrophobicContact CE2-CB 3.89Å; L104-G106 WeakPolarHBondContact CD2-O 3.5Å; L104-R108 CarbonylContact C-O 3.56Å; L104-R108 WeakPolarHBondContact CA-O 3.3Å
105Y93.1Very high91.4Very high0 Ų052.9 Ų52.90%026%0.263CS..EExtended strand (participates in β ladder)trans-116.7109.1-179.8-170.5-85000109.5Q40 F81 Y88 F90 K107 R108Q40-Y105 PolarHBondContact OE1-OH 3.31Å; F81-Y105 HydrophobicContact CB-CE1 4.18Å; F81-Y105 AromaticContact CD1-CD1 3.58Å; F81-Y105 HydrophobicContact CD1-CD1 3.58Å; F81-Y105 HydrophobicContact CD1-CD2 4.06Å; F81-Y105 AromaticContact CD1-CE1 3.85Å; F81-Y105 HydrophobicContact CD1-CE1 3.85Å; F81-Y105 HydrophobicContact CD1-CE2 4.34Å; F81-Y105 AromaticContact CD1-CG 3.69Å; F81-Y105 HydrophobicContact CD1-CG 3.69Å; F81-Y105 AromaticContact CE1-CD1 3.93Å; F81-Y105 HydrophobicContact CE1-CD1 3.93Å; F81-Y105 AromaticContact CE1-CD2 3.57Å; F81-Y105 HydrophobicContact CE1-CD2 3.57Å; F81-Y105 HydrophobicContact CE1-CE1 4.34Å; F81-Y105 HydrophobicContact CE1-CE2 4.05Å; F81-Y105 AromaticContact CE1-CG 3.51Å; F81-Y105 HydrophobicContact CE1-CG 3.51Å; F81-Y105 HydrophobicContact CE2-CD2 4.5Å; F81-Y105 HydrophobicContact CE2-CE2 4.23Å; F81-Y105 HydrophobicContact CG-CD1 4.17Å; F81-Y105 AromaticContact CG-CE1 3.95Å; F81-Y105 HydrophobicContact CG-CE1 3.95Å; F81-Y105 AromaticContact CZ-CD2 3.8Å; F81-Y105 HydrophobicContact CZ-CD2 3.8Å; F81-Y105 AromaticContact CZ-CE2 3.98Å; F81-Y105 HydrophobicContact CZ-CE2 3.98Å; F81-Y105 HydrophobicContact CZ-CG 4.23Å; Y88-Y105 AromaticContact CD1-CD1 3.81Å; Y88-Y105 HydrophobicContact CD1-CD1 3.81Å; Y88-Y105 AromaticContact CD1-CE1 3.42Å; Y88-Y105 HydrophobicContact CD1-CE1 3.42Å; Y88-Y105 VanDerWaalsContact CD1-CE1 3.42Å; Y88-Y105 AromaticContact CD2-CE1 3.86Å; Y88-Y105 HydrophobicContact CD2-CE1 3.86Å; Y88-Y105 HydrophobicContact CE1-CD1 4.46Å; Y88-Y105 HydrophobicContact CE1-CE1 4.06Å; Y88-Y105 HydrophobicContact CE2-CE1 4.43Å; Y88-Y105 HydrophobicContact CG-CD1 4.09Å; Y88-Y105 AromaticContact CG-CE1 3.3Å; Y88-Y105 HydrophobicContact CG-CE1 3.3Å; Y88-Y105 AromaticContact CG-CZ 3.64Å; F90-Y105 HydrophobicContact CB-CD2 3.49Å; F90-Y105 VanDerWaalsContact CB-CD2 3.49Å; F90-Y105 HydrophobicContact CB-CE2 4.25Å; F90-Y105 HydrophobicContact CB-CG 4.14Å; F90-Y105 HydrophobicContact CD1-CD2 4.13Å; F90-Y105 HydrophobicContact CD1-CE2 4.1Å; F90-Y105 HydrophobicContact CG-CD2 4.02Å; F90-Y105 HydrophobicContact CG-CE2 4.45Å; Y105-K107 PolarHBondContact O-N 3.45Å; Y105-K107 VanDerWaalsContact O-N 3.08Å; Y105-R108 PolarHBondContact N-O 2.99Å; Y105-R108 PolarHBondContact O-N 3.02Å
106G89.6Confident91.4Very high31 Ų3151.5 Ų51.532%0.3226%0.255SS..THydrogen-bonded Turntrans59.5-108.9-167.700000111.1H89 L104H89-G106 PolarHBondContact O-N 3.4Å; L104-G106 WeakPolarHBondContact CD2-O 3.5Å
107K88.8Confident91.4Very high216 Ų21654.5 Ų54.594%0.93928%0.278SS*.THydrogen-bonded Turntrans-106.3-0.7177.5-64.2-176.3179.4-177.60113.9Y105Y105-K107 PolarHBondContact O-N 3.45Å; Y105-K107 VanDerWaalsContact O-N 3.08Å
108R90.5Very high91.5Very high130 Ų13054.1 Ų54.149%0.49128%0.283SS..EExtended strand (participates in β ladder)trans-101.8132.9-176.8-68.1-165.1-178.3171.3-1.2110.8P82 L104 Y105 F110P82-R108 HydrophobicContact CG-CG 4.27Å; L104-R108 CarbonylContact C-O 3.56Å; L104-R108 WeakPolarHBondContact CA-O 3.3Å; Y105-R108 PolarHBondContact N-O 2.99Å; Y105-R108 PolarHBondContact O-N 3.02Å; R108-F110 HydrophobicContact CB-CD2 4.29Å; R108-F110 HydrophobicContact CB-CE2 3.59Å; R108-F110 HydrophobicContact CB-CZ 4.04Å
109D92.2Very high91.3Very high72 Ų7251.9 Ų51.939%0.38526%0.261SS..EExtended strand (participates in β ladder)trans-96.7121.6173.3179.8-12.1000109.7R100 H102R100-D109 IonicContact CZ-OD2 3.84Å; R100-D109 IonicContact NH2-OD1 2.71Å; R100-D109 PolarHBondContact NH2-OD1 3.16Å; R100-D109 VanDerWaalsContact NH2-OD1 3.09Å; R100-D109 IonicContact NH2-OD2 2.75Å; R100-D109 PolarHBondContact NH2-OD2 3.37Å; H102-D109 WeakPolarHBondContact CB-OD1 3.48Å; H102-D109 IonicContact CE1-OD2 2.71Å; H102-D109 IonicContact CG-OD1 3.71Å; H102-D109 IonicContact ND1-OD1 2.77Å; H102-D109 PolarHBondContact ND1-OD1 2.9Å; H102-D109 IonicContact ND1-OD2 3.42Å; H102-D109 PolarHBondContact ND1-OD2 3.42Å
110F92.8Very high91Very high14 Ų1451.7 Ų51.76%0.06126%0.258CS..EExtended strand (participates in β ladder)trans-108.6103.6176.5-64-90.5000110.2L46 R79 F81 H102 L103 R108 L112L46-F110 HydrophobicContact CD2-CB 3.38Å; L46-F110 HydrophobicContact CD2-CD1 3.85Å; L46-F110 HydrophobicContact CD2-CD2 4.21Å; L46-F110 HydrophobicContact CD2-CG 3.56Å; R79-F110 HydrophobicContact CB-CD1 4.02Å; R79-F110 HydrophobicContact CB-CE1 3.92Å; F81-F110 AromaticContact CD1-CE2 3.85Å; F81-F110 HydrophobicContact CD1-CE2 3.85Å; F81-F110 AromaticContact CD1-CZ 3.84Å; F81-F110 HydrophobicContact CD1-CZ 3.84Å; F81-F110 HydrophobicContact CE1-CD2 4.34Å; F81-F110 AromaticContact CE1-CE2 3.96Å; F81-F110 HydrophobicContact CE1-CE2 3.96Å; F81-F110 HydrophobicContact CE1-CZ 4.26Å; H102-F110 CarbonylContact C-O 3.58Å; H102-F110 VanDerWaalsContact CA-O 3.25Å; H102-F110 WeakPolarHBondContact CA-O 3.06Å; H102-F110 WeakPolarHBondContact CB-O 3.35Å; L103-F110 HydrophobicContact CB-CB 4.35Å; L103-F110 PolarHBondContact N-O 2.78Å; L103-F110 WeakPolarHBondContact O-CB 3.38Å; L103-F110 PolarHBondContact O-N 3Å; R108-F110 HydrophobicContact CB-CD2 4.29Å; R108-F110 HydrophobicContact CB-CE2 3.59Å; R108-F110 HydrophobicContact CB-CZ 4.04Å; F110-L112 PolarHBondContact O-N 2.91Å
111L94Very high90.5Very high51 Ų5147.8 Ų47.827%0.26724%0.244SC..EExtended strand (participates in β ladder)trans-63.7114.9169.1178.267.5000110.6A74 R79 R100 S113A74-L111 HydrophobicContact CB-CD2 4.16Å; A74-L111 HydrophobicContact CB-CG 3.97Å; R79-L111 VanDerWaalsContact CZ-O 3.32Å; R79-L111 PolarHBondContact NH1-O 3.34Å; R79-L111 PolarHBondContact NH2-O 2.95Å; R100-L111 HydrophobicContact CG-CD1 3.54Å; L111-S113 WeakPolarHBondContact CD1-O 3.37Å
112L93.4Very high89.8Confident5 Ų550.5 Ų50.53%0.02626%0.256CS..EExtended strand (participates in β ladder)trans-93.8-40.7178.4-60.8-174.9000112.2L46 Y48 V67 A74 L92 L101 L103 F110L46-L112 HydrophobicContact CD1-CD2 4.36Å; L46-L112 HydrophobicContact CD2-CD2 3.67Å; L46-L112 HydrophobicContact CG-CD2 4.12Å; Y48-L112 HydrophobicContact CD2-CB 3.77Å; Y48-L112 HydrophobicContact CD2-CD1 3.86Å; Y48-L112 HydrophobicContact CD2-CD2 4.2Å; Y48-L112 HydrophobicContact CD2-CG 4.17Å; Y48-L112 HydrophobicContact CE2-CB 3.94Å; Y48-L112 HydrophobicContact CE2-CD1 4.23Å; Y48-L112 HydrophobicContact CG-CB 4.1Å; Y48-L112 HydrophobicContact CG-CD2 4.29Å; V67-L112 HydrophobicContact CB-CD1 4.15Å; V67-L112 HydrophobicContact CG1-CD1 3.97Å; V67-L112 HydrophobicContact CG2-CD1 4.32Å; A74-L112 WeakPolarHBondContact CB-O 3.49Å; A74-L112 PolarHBondContact N-O 3.5Å; L92-L112 HydrophobicContact CD1-CD1 3.57Å; L101-L112 HydrophobicContact CB-CB 4.46Å; L101-L112 HydrophobicContact CD2-CB 4.08Å; L101-L112 HydrophobicContact CD2-CD1 4.05Å; L101-L112 HydrophobicContact CG-CB 4.19Å; L101-L112 HydrophobicContact CG-CD1 4.21Å; L101-L112 WeakPolarHBondContact O-CA 3.25Å; L101-L112 WeakPolarHBondContact O-CB 3.13Å; L101-L112 PolarHBondContact O-N 3.31Å; L103-L112 HydrophobicContact CB-CD1 4.22Å; L103-L112 HydrophobicContact CB-CG 4.43Å; F110-L112 PolarHBondContact O-N 2.91Å
113S93.3Very high89.2Confident0 Ų054.8 Ų54.80%028%0.276CS..EExtended strand (participates in β ladder)trans-148.1140.5176.6-173.10000111.1F71 P72 R100 L101 L111 K115F71-S113 WeakPolarHBondContact CB-OG 3.46Å; P72-S113 WeakPolarHBondContact O-CB 3.34Å; P72-S113 PolarHBondContact O-OG 3.48Å; R100-S113 WeakPolarHBondContact CA-O 3.23Å; L101-S113 PolarHBondContact N-O 3.43Å; L101-S113 PolarHBondContact O-N 3.45Å; L111-S113 WeakPolarHBondContact CD1-O 3.37Å; S113-K115 PolarHBondContact OG-N 2.96Å
114D91.7Very high88.6Confident96 Ų9660 Ų6051%0.51330%0.3SS..SBendtrans-105.76.3171.565.4-24.4000112.8G99G99-D114 CarbonylContact O-C 3.56Å; G99-D114 WeakPolarHBondContact O-CA 3.43Å
115K90.9Very high88Confident136 Ų13658.9 Ų58.959%0.59129%0.293SS*.  trans-127.139.8-179.7-65.3-177.6-175.8179.30112.1P72 G99 S113 S117P72-K115 HydrophobicContact CG-CB 4.08Å; P72-K115 HydrophobicContact CG-CD 4.36Å; G99-K115 PolarHBondContact O-N 3.14Å; S113-K115 PolarHBondContact OG-N 2.96Å; K115-S117 PolarHBondContact O-N 3.48Å
116A89.8Confident87.5Confident0 Ų064.6 Ų64.60%032%0.32CS..  trans-98.249.1-17800000112.8F71 W94 G99 L101F71-A116 HydrophobicContact CB-CB 4.1Å; F71-A116 HydrophobicContact CD1-CB 3.89Å; F71-A116 HydrophobicContact CD2-CB 3.63Å; F71-A116 HydrophobicContact CE1-CB 4.19Å; F71-A116 HydrophobicContact CE2-CB 3.96Å; F71-A116 HydrophobicContact CG-CB 3.59Å; F71-A116 HydrophobicContact CZ-CB 4.23Å; W94-A116 PolarHBondContact NE1-O 3.16Å; G99-A116 PolarHBondContact O-N 3.43Å; L101-A116 HydrophobicContact CB-CB 4.08Å
117S86.7Confident87.1Confident75 Ų7567.6 Ų67.652%0.52433%0.326SS..  trans-100.90.1-173.559.10000115.4R96 K115R96-S117 VanDerWaalsContact CG-O 3.29Å; R96-S117 WeakPolarHBondContact CG-O 3.24Å; K115-S117 PolarHBondContact O-N 3.48Å
118S85.6Confident86.4Confident53 Ų5359.8 Ų59.837%0.37130%0.298SS..  trans-70.3139.718060.60000111.7F71 W94 L120F71-S118 WeakPolarHBondContact CE1-OG 3.47Å; W94-S118 VanDerWaalsContact CZ2-O 3.29Å; W94-S118 WeakPolarHBondContact CZ2-O 3.41Å; S118-L120 PolarHBondContact O-N 3.3Å
119L82.8Confident85.2Confident18 Ų1862 Ų629%0.09432%0.319CS..  trans-75.6114.4172.3-179.865.1000110P164 K180 R181L119-P164 HydrophobicContact CD2-CG 4.29Å; L119-K180 HydrophobicContact CD1-CG 3.9Å; L119-K180 HydrophobicContact CD2-CG 4.3Å; L119-R181 HydrophobicContact CD2-CB 3.8Å; L119-R181 HydrophobicContact CD2-CG 4.39Å
120L83.4Confident83.9Confident4 Ų460.8 Ų60.82%0.02132%0.319CS..  trans-122.2138.5173.7-50.3172.8000109.6L54 P70 F71 W94 S118 F161L54-L120 HydrophobicContact CD1-CD2 4.28Å; L54-L120 HydrophobicContact CD2-CD2 3.78Å; L54-L120 HydrophobicContact CG-CD2 4.48Å; P70-L120 HydrophobicContact CG-CD1 3.71Å; F71-L120 HydrophobicContact CE1-CD1 4Å; F71-L120 HydrophobicContact CZ-CD1 3.87Å; W94-L120 HydrophobicContact CH2-CB 3.6Å; W94-L120 HydrophobicContact CH2-CD1 4.04Å; W94-L120 HydrophobicContact CH2-CG 3.95Å; W94-L120 HydrophobicContact CZ2-CD1 4.45Å; W94-L120 HydrophobicContact CZ2-CG 4.44Å; W94-L120 HydrophobicContact CZ3-CB 4.19Å; S118-L120 PolarHBondContact O-N 3.3Å; L120-F161 HydrophobicContact CB-CB 3.77Å; L120-F161 HydrophobicContact CB-CD1 4.07Å; L120-F161 HydrophobicContact CB-CG 4.05Å; L120-F161 HydrophobicContact CD1-CB 4.47Å
121C81.8Confident82.9Confident4 Ų470 Ų703%0.02736%0.362CS..EExtended strand (participates in β ladder)trans-112.7142.6180-63.30000109.6F161 H162 C177C121-F161 CarbonylContact O-C 3.58Å; C121-F161 WeakPolarHBondContact O-CA 3.48Å; C121-F161 VanDerWaalsContact O-CB 3.28Å; C121-F161 WeakPolarHBondContact O-CB 3.39Å; C121-H162 PolarHBondContact N-O 2.66Å; C121-H162 PolarHBondContact O-CD2 2.72Å; C121-H162 PolarHBondContact O-N 2.92Å; C121-C177 HydrophobicContact CB-CB 3.62Å; C121-C177 WeakPolarHBondContact CB-SG 3.37Å; C121-C177 WeakPolarHBondContact SG-CA 3.32Å; C121-C177 WeakPolarHBondContact SG-CB 3.33Å; C121-C177 CovalentContact SG-SG 2.01Å; C121-C177 PolarHBondContact SG-SG 3.4Å
122F81Confident82.2Confident58 Ų5869.3 Ų69.325%0.25437%0.367SS..EExtended strand (participates in β ladder)trans-57.4145.4178.4-156.4-133.3000112.4H124 Q125 W144 F159 H162F122-H124 WeakPolarHBondContact CE2-O 3.2Å; F122-H124 VanDerWaalsContact CZ-C 3.49Å; F122-Q125 HydrophobicContact CE2-CB 4.36Å; F122-Q125 HydrophobicContact CZ-CB 3.79Å; F122-W144 HydrophobicContact CB-CD2 3.6Å; F122-W144 HydrophobicContact CB-CE3 3.64Å; F122-W144 HydrophobicContact CB-CH2 3.18Å; F122-W144 HydrophobicContact CB-CZ2 3.11Å; F122-W144 HydrophobicContact CB-CZ3 3.43Å; F122-W144 VanDerWaalsContact CB-CZ3 3.43Å; F122-W144 AromaticContact CD1-CE2 3.7Å; F122-W144 HydrophobicContact CD1-CH2 4.42Å; F122-W144 AromaticContact CD1-CZ2 3.58Å; F122-W144 HydrophobicContact CD1-CZ2 3.58Å; F122-W144 AromaticContact CD1-NE1 3.74Å; F122-W144 AromaticContact CD2-CH2 3.31Å; F122-W144 HydrophobicContact CD2-CH2 3.31Å; F122-W144 AromaticContact CD2-CZ2 3.12Å; F122-W144 HydrophobicContact CD2-CZ2 3.12Å; F122-W144 HydrophobicContact CD2-CZ3 4.37Å; F122-W144 HydrophobicContact CE1-CZ2 4.24Å; F122-W144 HydrophobicContact CE2-CH2 4.29Å; F122-W144 AromaticContact CE2-CZ2 3.87Å; F122-W144 HydrophobicContact CE2-CZ2 3.87Å; F122-W144 HydrophobicContact CG-CD2 4.27Å; F122-W144 AromaticContact CG-CE2 3.41Å; F122-W144 VanDerWaalsContact CG-CE2 3.41Å; F122-W144 AromaticContact CG-CH2 3.38Å; F122-W144 HydrophobicContact CG-CH2 3.38Å; F122-W144 AromaticContact CG-CZ2 2.94Å; F122-W144 HydrophobicContact CG-CZ2 2.94Å; F122-W144 HydrophobicContact CG-CZ3 4.17Å; F122-W144 AromaticContact CG-NE1 3.96Å; F122-W144 HydrophobicContact CZ-CZ2 4.35Å; F122-F159 HydrophobicContact CE2-CB 4.42Å; F122-F159 HydrophobicContact CE2-CD1 4.07Å; F122-H162 PolarHBondContact O-CD2 2.85Å; F122-H162 VanDerWaalsContact O-CD2 3.29Å; F122-H162 PolarHBondContact O-NE2 3.04Å
123Q81Confident81.9Confident129 Ų12970.9 Ų70.960%0.60338%0.378SS*.EExtended strand (participates in β ladder)trans-116.3-62.8166.2-169.6174.15.800110.3S160Q123-S160 PolarHBondContact N-O 3.27Å
124H82.7Confident81.7Confident110 Ų11074.2 Ų74.251%0.50940%0.399SS..EExtended strand (participates in β ladder)trans-155.1168.8-177.5-169.856000111.2F122 S160F122-H124 WeakPolarHBondContact CE2-O 3.2Å; F122-H124 VanDerWaalsContact CZ-C 3.49Å; H124-S160 PolarHBondContact N-OG 3.31Å; H124-S160 VanDerWaalsContact N-OG 3.08Å; H124-S160 PolarHBondContact O-N 3.19Å; H124-S160 PolarHBondContact O-OG 3.23Å
125Q82.7Confident81.7Confident35 Ų3569.6 Ų69.616%0.16438%0.375CS..EExtended strand (participates in β ladder)trans-124.2131.5174.1168.8-170.4-38.700108.9F122 E127 L151 T158 F159F122-Q125 HydrophobicContact CE2-CB 4.36Å; F122-Q125 HydrophobicContact CZ-CB 3.79Å; Q125-E127 PolarHBondContact NE2-OE1 3.35Å; Q125-L151 VanDerWaalsContact NE2-CD1 3.27Å; Q125-T158 WeakPolarHBondContact CA-O 3.31Å; Q125-F159 HydrophobicContact CB-CD1 4.09Å; Q125-F159 HydrophobicContact CB-CE1 4.31Å; Q125-F159 HydrophobicContact CG-CD1 3.98Å; Q125-F159 HydrophobicContact CG-CE1 3.79Å
126E83.6Confident81.6Confident120 Ų12066.4 Ų66.456%0.56136%0.364SS*.EExtended strand (participates in β ladder)trans-115.6136.2174.4-69.9174.9-173.800110.3T158E126-T158 PolarHBondContact N-O 3.35Å; E126-T158 PolarHBondContact O-N 2.95Å
127E79.5Confident81.7Confident94 Ų9469.5 Ų69.544%0.43939%0.389SS..EExtended strand (participates in β ladder)trans-105.8123.5173.8-66.4170.8-169.300108Q125 P152 F157Q125-E127 PolarHBondContact NE2-OE1 3.35Å; E127-P152 VanDerWaalsContact CD-CG 3.48Å; E127-P152 VanDerWaalsContact OE1-CD 3.29Å; E127-P152 WeakPolarHBondContact OE1-CD 3.41Å; E127-P152 WeakPolarHBondContact OE1-CG 3.24Å; E127-P152 WeakPolarHBondContact OE2-CG 3.48Å; E127-F157 HydrophobicContact CG-CD1 4.09Å; E127-F157 HydrophobicContact CG-CE1 4.09Å
128S74.1Confident81.9Confident52 Ų5266 Ų6636%0.36437%0.365SS..EExtended strand (participates in β ladder)trans-106125.8176.1137.80000109.2A130 S156S128-A130 PolarHBondContact O-N 3.34Å; S128-A130 PolarHBondContact OG-N 2.88Å; S128-A130 VanDerWaalsContact OG-N 3.14Å; S128-S156 WeakPolarHBondContact CB-OG 3.36Å; S128-S156 PolarHBondContact N-O 3.47Å; S128-S156 PolarHBondContact O-OG 2.92Å; S128-S156 VanDerWaalsContact O-OG 3.05Å; S128-S156 PolarHBondContact OG-OG 3.32Å
129L65.4Low82.3Confident177 Ų17764.9 Ų64.993%0.92736%0.357SS*.  trans-71.860.3160.9-98.192.4000109.2
130A65.4Low82.7Confident46 Ų4664.5 Ų64.538%0.3836%0.356SS..  trans-62.4146.9167.400000109.3S128 G132 A155S128-A130 PolarHBondContact O-N 3.34Å; S128-A130 PolarHBondContact OG-N 2.88Å; S128-A130 VanDerWaalsContact OG-N 3.14Å; A130-G132 PolarHBondContact O-N 2.97Å; A130-A155 HydrophobicContact CB-CB 4.16Å; A130-A155 WeakPolarHBondContact O-CB 3.5Å
131Q72.7Confident82.9Confident207 Ų20765 Ų6597%0.96736%0.359SS*.SBendtrans-68.6101170.1-76.4175.6-17.800108.6
132G78.9Confident83Confident37 Ų3765.3 Ų65.338%0.38136%0.361SS..SBendtrans-176.9167179.300000112.8A130A130-G132 PolarHBondContact O-N 2.97Å
133P87.2Confident82.9Confident38 Ų3864.3 Ų64.325%0.24736%0.355CS..PPolyproline II helixtrans-61.3131175.723.7-31.1000110.1N60 E62N60-P133 PolarHBondContact ND2-O 2.85Å; E62-P133 HydrophobicContact CG-CG 4.14Å
134P89.3Confident82.4Confident69 Ų6961.1 Ų61.145%0.44834%0.338SS..PPolyproline II helixtrans-70.7140.7-17828.8-34.3000111
135L91.1Very high81.9Confident0 Ų057.2 Ų57.20%032%0.323CS..BIsolated β-bridgetrans-74.1138162.8-72.3179.5000109.2F34 S36 R38 I58 N60 F90 S153 A154 F157F34-L135 HydrophobicContact CE1-CD1 4.46Å; F34-L135 HydrophobicContact CZ-CD1 4.26Å; S36-L135 WeakPolarHBondContact OG-CB 3.34Å; R38-L135 HydrophobicContact CB-CD2 3.85Å; R38-L135 HydrophobicContact CG-CD2 4.39Å; I58-L135 HydrophobicContact CG2-CD1 4.24Å; N60-L135 HydrophobicContact CB-CD1 4.11Å; N60-L135 HydrophobicContact CB-CD2 3.85Å; N60-L135 HydrophobicContact CB-CG 3.71Å; N60-L135 VanDerWaalsContact CG-CD2 3.48Å; F90-L135 HydrophobicContact CE1-CD2 3.64Å; F90-L135 HydrophobicContact CZ-CD1 4.13Å; F90-L135 HydrophobicContact CZ-CD2 3.8Å; L135-S153 VanDerWaalsContact O-CA 3.23Å; L135-S153 WeakPolarHBondContact O-CA 3.48Å; L135-S153 VanDerWaalsContact O-CB 3.28Å; L135-S153 WeakPolarHBondContact O-CB 3.34Å; L135-A154 VanDerWaalsContact CB-O 3.31Å; L135-A154 WeakPolarHBondContact CB-O 3.16Å; L135-A154 PolarHBondContact N-O 3.31Å; L135-F157 HydrophobicContact CB-CE2 4.05Å; L135-F157 HydrophobicContact CD1-CD2 4.04Å; L135-F157 HydrophobicContact CD1-CE2 4.01Å
136L89.8Confident81.3Confident68 Ų6860.5 Ų60.536%0.35635%0.347SS..EExtended strand (participates in β ladder)trans-115.2154.3-173.1-57.5173.8000110.8S36 Q37 T138S36-L136 PolarHBondContact OG-O 2.87Å; Q37-L136 HydrophobicContact CB-CB 4.31Å; Q37-L136 WeakPolarHBondContact CB-O 3.17Å; Q37-L136 PolarHBondContact N-O 3.44Å; Q37-L136 PolarHBondContact O-N 3.4Å; L136-T138 PolarHBondContact O-N 3.42Å
137A90.5Very high81Confident65 Ų6562 Ų6254%0.53735%0.354SS..EExtended strand (participates in β ladder)trans50.846.117600000112.5Q37Q37-A137 HydrophobicContact CG-CB 4.31Å
138T92.1Very high81.2Confident3 Ų362.5 Ų62.52%0.01836%0.36CS..EExtended strand (participates in β ladder)trans-77135.6-175.8-51.60000110.5F34 C35 S36 L136 S150 L151 F157F34-T138 HydrophobicContact CD2-CG2 4.09Å; F34-T138 HydrophobicContact CE1-CG2 4.5Å; F34-T138 HydrophobicContact CE2-CG2 3.18Å; F34-T138 HydrophobicContact CZ-CG2 3.44Å; F34-T138 VanDerWaalsContact CZ-CG2 3.44Å; C35-T138 CarbonylContact O-C 3.59Å; C35-T138 WeakPolarHBondContact O-CA 3.19Å; S36-T138 PolarHBondContact OG-OG1 3.46Å; L136-T138 PolarHBondContact O-N 3.42Å; T138-S150 WeakPolarHBondContact O-CA 3.33Å; T138-L151 HydrophobicContact CG2-CB 3.93Å; T138-L151 HydrophobicContact CG2-CD1 4.05Å; T138-L151 HydrophobicContact CG2-CG 4.44Å; T138-L151 PolarHBondContact O-N 3.36Å; T138-F157 HydrophobicContact CG2-CD2 4.36Å; T138-F157 HydrophobicContact CG2-CE1 4.21Å; T138-F157 HydrophobicContact CG2-CE2 3.81Å; T138-F157 HydrophobicContact CG2-CZ 3.73Å
139S92.3Very high81.8Confident29 Ų2963.8 Ų63.820%0.20336%0.362CS..EExtended strand (participates in β ladder)trans-140.8147.417355.10000111.2F34 C35 I149F34-S139 WeakPolarHBondContact CA-O 3.32Å; C35-S139 PolarHBondContact N-O 2.99Å; C35-S139 PolarHBondContact O-N 3.24Å; S139-I149 CarbonylContact C-O 3.56Å; S139-I149 WeakPolarHBondContact CA-O 2.96Å
140V91.7Very high82.9Confident10 Ų1060.3 Ų60.36%0.06135%0.352CS..EExtended strand (participates in β ladder)trans-129141.717767.20000110.5F32 R33 I149 L151 F159F32-V140 HydrophobicContact CD2-CG2 4.25Å; F32-V140 HydrophobicContact CE2-CG2 3.55Å; F32-V140 HydrophobicContact CZ-CG2 4.01Å; R33-V140 CarbonylContact O-C 3.48Å; R33-V140 WeakPolarHBondContact O-CA 3.37Å; V140-I149 HydrophobicContact CG1-CB 4.03Å; V140-I149 PolarHBondContact N-O 2.91Å; V140-I149 PolarHBondContact O-N 2.97Å; V140-L151 HydrophobicContact CB-CD1 4.17Å; V140-L151 HydrophobicContact CG1-CD1 3.88Å; V140-L151 HydrophobicContact CG1-CD2 4.35Å; V140-L151 HydrophobicContact CG1-CG 4.15Å; V140-F159 HydrophobicContact CB-CE1 4.23Å; V140-F159 HydrophobicContact CB-CZ 4.4Å; V140-F159 HydrophobicContact CG1-CE1 4.37Å; V140-F159 HydrophobicContact CG2-CD1 4.47Å; V140-F159 HydrophobicContact CG2-CE1 3.81Å; V140-F159 HydrophobicContact CG2-CZ 4.14Å
141T87.9Confident84Confident14 Ų1459.1 Ų59.19%0.08634%0.339CS..EExtended strand (participates in β ladder)trans-134.2148.1169.639.50000109.6F32 R33 N148F32-T141 WeakPolarHBondContact CA-O 3.2Å; R33-T141 WeakPolarHBondContact CB-OG1 3.44Å; R33-T141 PolarHBondContact N-O 3.46Å; R33-T141 PolarHBondContact NE-OG1 3.15Å; R33-T141 PolarHBondContact O-N 3.21Å; R33-T141 PolarHBondContact O-OG1 3.18Å; T141-N148 HydrophobicContact CG2-CB 4.21Å; T141-N148 WeakPolarHBondContact CG2-OD1 3.45Å
142S84.3Confident84.8Confident10 Ų1052.6 Ų52.67%0.0732%0.315CS..EExtended strand (participates in β ladder)trans-144.2166.4177.761.60000110.5D31 W144 S145D31-S142 WeakPolarHBondContact O-CA 3.31Å; S142-W144 VanDerWaalsContact CB-CE2 3.41Å; S142-W144 PolarHBondContact O-N 2.86Å; S142-W144 WeakPolarHBondContact OG-CZ2 2.92Å; S142-W144 PolarHBondContact OG-NE1 3.37Å; S142-W144 VanDerWaalsContact OG-NE1 3.12Å; S142-S145 PolarHBondContact N-O 3.4Å; S142-S145 CarbonylContact O-C 3.59Å; S142-S145 PolarHBondContact O-N 2.94Å; S142-S145 PolarHBondContact OG-N 3.04Å
143W78.4Confident85.3Confident38 Ų3854.3 Ų54.314%0.14432%0.321CS..SBendtrans-63.4-28.3178.972.5-92.9000113.6D31 K180 F228D31-W143 PolarHBondContact O-N 3.3Å; W143-K180 HydrophobicContact CE3-CD 4.26Å; W143-K180 HydrophobicContact CH2-CB 3.82Å; W143-K180 HydrophobicContact CH2-CD 4.06Å; W143-K180 HydrophobicContact CH2-CG 3.8Å; W143-K180 HydrophobicContact CZ2-CB 4.38Å; W143-K180 HydrophobicContact CZ2-CG 4.09Å; W143-K180 HydrophobicContact CZ3-CB 4.39Å; W143-K180 HydrophobicContact CZ3-CD 3.86Å; W143-K180 HydrophobicContact CZ3-CG 4.14Å; W143-F228 HydrophobicContact CZ3-CD1 4.12Å; W143-F228 HydrophobicContact CZ3-CE1 4.16Å
144W70.9Confident85.4Confident62 Ų6253 Ų5324%0.23531%0.314CS..SBendtrans-83.3-25.7177.165.680.2000113F122 S142 F161 M176F122-W144 HydrophobicContact CB-CD2 3.6Å; F122-W144 HydrophobicContact CB-CE3 3.64Å; F122-W144 HydrophobicContact CB-CH2 3.18Å; F122-W144 HydrophobicContact CB-CZ2 3.11Å; F122-W144 HydrophobicContact CB-CZ3 3.43Å; F122-W144 VanDerWaalsContact CB-CZ3 3.43Å; F122-W144 AromaticContact CD1-CE2 3.7Å; F122-W144 HydrophobicContact CD1-CH2 4.42Å; F122-W144 AromaticContact CD1-CZ2 3.58Å; F122-W144 HydrophobicContact CD1-CZ2 3.58Å; F122-W144 AromaticContact CD1-NE1 3.74Å; F122-W144 AromaticContact CD2-CH2 3.31Å; F122-W144 HydrophobicContact CD2-CH2 3.31Å; F122-W144 AromaticContact CD2-CZ2 3.12Å; F122-W144 HydrophobicContact CD2-CZ2 3.12Å; F122-W144 HydrophobicContact CD2-CZ3 4.37Å; F122-W144 HydrophobicContact CE1-CZ2 4.24Å; F122-W144 HydrophobicContact CE2-CH2 4.29Å; F122-W144 AromaticContact CE2-CZ2 3.87Å; F122-W144 HydrophobicContact CE2-CZ2 3.87Å; F122-W144 HydrophobicContact CG-CD2 4.27Å; F122-W144 AromaticContact CG-CE2 3.41Å; F122-W144 VanDerWaalsContact CG-CE2 3.41Å; F122-W144 AromaticContact CG-CH2 3.38Å; F122-W144 HydrophobicContact CG-CH2 3.38Å; F122-W144 AromaticContact CG-CZ2 2.94Å; F122-W144 HydrophobicContact CG-CZ2 2.94Å; F122-W144 HydrophobicContact CG-CZ3 4.17Å; F122-W144 AromaticContact CG-NE1 3.96Å; F122-W144 HydrophobicContact CZ-CZ2 4.35Å; S142-W144 VanDerWaalsContact CB-CE2 3.41Å; S142-W144 PolarHBondContact O-N 2.86Å; S142-W144 WeakPolarHBondContact OG-CZ2 2.92Å; S142-W144 PolarHBondContact OG-NE1 3.37Å; S142-W144 VanDerWaalsContact OG-NE1 3.12Å; W144-F161 AromaticContact CH2-CE1 4Å; W144-F161 HydrophobicContact CH2-CE1 4Å; W144-F161 HydrophobicContact CZ3-CE1 4.28Å; W144-M176 HydrophobicContact CB-CE 4.36Å
145S72.2Confident85.5Confident28 Ų2850 Ų5020%0.19630%0.295CS..  trans-129.985.7176.7179.60000108.8S142 Q147S142-S145 PolarHBondContact N-O 3.4Å; S142-S145 CarbonylContact O-C 3.59Å; S142-S145 PolarHBondContact O-N 2.94Å; S142-S145 PolarHBondContact OG-N 3.04Å; S145-Q147 PolarHBondContact O-N 3.47Å; S145-Q147 VanDerWaalsContact O-N 3.14Å
146P70.5Confident85.5Confident103 Ų10350.3 Ų50.367%0.66930%0.297SS*.  trans-69-10.4-177.826.4-33.7000113.1
147Q77.5Confident85.6Confident152 Ų15247 Ų4771%0.7128%0.28SS*.SBendtrans-72.3135.1174.6-63.7-176.7-2.700110.6S145 I149S145-Q147 PolarHBondContact O-N 3.47Å; S145-Q147 VanDerWaalsContact O-N 3.14Å; Q147-I149 PolarHBondContact O-N 2.96Å; Q147-I149 VanDerWaalsContact O-N 3.09Å
148N82.9Confident85.7Confident105 Ų10545.2 Ų45.256%0.56126%0.262SS*.  trans-65.2107.2171.3-84.8-27.5000109.2R33 T141R33-N148 PolarHBondContact NH2-OD1 2.67Å; T141-N148 HydrophobicContact CG2-CB 4.21Å; T141-N148 WeakPolarHBondContact CG2-OD1 3.45Å
149I86.5Confident85.7Confident78 Ų7845.1 Ų45.140%0.426%0.261SS..EExtended strand (participates in β ladder)trans-89.1118.5174.5-58.8172.2000107.6S139 V140 Q147 L151S139-I149 CarbonylContact C-O 3.56Å; S139-I149 WeakPolarHBondContact CA-O 2.96Å; V140-I149 HydrophobicContact CG1-CB 4.03Å; V140-I149 PolarHBondContact N-O 2.91Å; V140-I149 PolarHBondContact O-N 2.97Å; Q147-I149 PolarHBondContact O-N 2.96Å; Q147-I149 VanDerWaalsContact O-N 3.09Å; I149-L151 HydrophobicContact CG2-CD2 4.06Å
150S89.7Confident85.6Confident104 Ų10445 Ų4573%0.72726%0.261SS*.EExtended strand (participates in β ladder)trans-76.4131.1172.356.20000110.3T138T138-S150 WeakPolarHBondContact O-CA 3.33Å
151L88.4Confident85.4Confident21 Ų2144.9 Ų44.911%0.1126%0.259CS..EExtended strand (participates in β ladder)trans-108.3149.1178.8-60.2-179.1000110.8Q125 T138 V140 I149 F157 F159Q125-L151 VanDerWaalsContact NE2-CD1 3.27Å; T138-L151 HydrophobicContact CG2-CB 3.93Å; T138-L151 HydrophobicContact CG2-CD1 4.05Å; T138-L151 HydrophobicContact CG2-CG 4.44Å; T138-L151 PolarHBondContact O-N 3.36Å; V140-L151 HydrophobicContact CB-CD1 4.17Å; V140-L151 HydrophobicContact CG1-CD1 3.88Å; V140-L151 HydrophobicContact CG1-CD2 4.35Å; V140-L151 HydrophobicContact CG1-CG 4.15Å; I149-L151 HydrophobicContact CG2-CD2 4.06Å; L151-F157 HydrophobicContact CB-CE1 4Å; L151-F157 HydrophobicContact CD1-CD1 4.06Å; L151-F157 HydrophobicContact CD1-CE1 4.08Å; L151-F159 HydrophobicContact CD1-CE1 4.26Å; L151-F159 HydrophobicContact CD1-CZ 4.07Å
152P88.9Confident85.3Confident70 Ų7046.7 Ų46.746%0.45527%0.267SS..  trans-66.2159.3175.930.9-37000111.4E127 A154 F157E127-P152 VanDerWaalsContact CD-CG 3.48Å; E127-P152 VanDerWaalsContact OE1-CD 3.29Å; E127-P152 WeakPolarHBondContact OE1-CD 3.41Å; E127-P152 WeakPolarHBondContact OE1-CG 3.24Å; E127-P152 WeakPolarHBondContact OE2-CG 3.48Å; P152-A154 PolarHBondContact O-N 3.39Å; P152-F157 VanDerWaalsContact O-CZ 3.25Å; P152-F157 WeakPolarHBondContact O-CZ 3.34Å
153S88.3Confident85.2Confident74 Ų7449 Ų4952%0.51728%0.283SS..  trans-69.4121.2179.3-56.50000111.3L135L135-S153 VanDerWaalsContact O-CA 3.23Å; L135-S153 WeakPolarHBondContact O-CA 3.48Å; L135-S153 VanDerWaalsContact O-CB 3.28Å; L135-S153 WeakPolarHBondContact O-CB 3.34Å
154A90.2Very high85.1Confident10 Ų1048 Ų488%0.08328%0.282CS..BIsolated β-bridgetrans-141.9157.6177.900000110.8L135 P152 S156 F157L135-A154 VanDerWaalsContact CB-O 3.31Å; L135-A154 WeakPolarHBondContact CB-O 3.16Å; L135-A154 PolarHBondContact N-O 3.31Å; P152-A154 PolarHBondContact O-N 3.39Å; A154-S156 VanDerWaalsContact C-N 3.33Å; A154-F157 HydrophobicContact CB-CE1 4.03Å; A154-F157 HydrophobicContact CB-CE2 4.14Å; A154-F157 HydrophobicContact CB-CZ 3.71Å
155A90.7Very high85.1Confident6 Ų647.2 Ų47.25%0.0528%0.284CS..SBendtrans-76.3-23.8177.100000112.6N60 A130N60-A155 VanDerWaalsContact CB-O 3.28Å; N60-A155 WeakPolarHBondContact CB-O 3.37Å; N60-A155 PolarHBondContact N-O 2.93Å; A130-A155 HydrophobicContact CB-CB 4.16Å; A130-A155 WeakPolarHBondContact O-CB 3.5Å
156S91.9Very high84.9Confident6 Ų654.2 Ų54.24%0.04231%0.313CS..EExtended strand (participates in β ladder)trans-147.9140.4-178.6580000112.5I58 S128 A154I58-S156 WeakPolarHBondContact O-CA 3.3Å; S128-S156 WeakPolarHBondContact CB-OG 3.36Å; S128-S156 PolarHBondContact N-O 3.47Å; S128-S156 PolarHBondContact O-OG 2.92Å; S128-S156 VanDerWaalsContact O-OG 3.05Å; S128-S156 PolarHBondContact OG-OG 3.32Å; A154-S156 VanDerWaalsContact C-N 3.33Å
157F92.9Very high84.4Confident0 Ų054.9 Ų54.90%032%0.316CS..EExtended strand (participates in β ladder)trans-123.2136.9174.6-64.1-86.1000109.7F34 S57 I58 E127 L135 T138 L151 P152 A154 F159F34-F157 HydrophobicContact CE2-CB 4.14Å; F34-F157 HydrophobicContact CE2-CD1 4.5Å; F34-F157 AromaticContact CE2-CD2 3.78Å; F34-F157 HydrophobicContact CE2-CD2 3.78Å; F34-F157 HydrophobicContact CE2-CE2 4.31Å; F34-F157 AromaticContact CE2-CG 3.88Å; F34-F157 HydrophobicContact CE2-CG 3.88Å; F34-F157 HydrophobicContact CZ-CB 4.44Å; F34-F157 AromaticContact CZ-CD2 3.53Å; F34-F157 HydrophobicContact CZ-CD2 3.53Å; F34-F157 HydrophobicContact CZ-CE2 4Å; F34-F157 HydrophobicContact CZ-CG 4.1Å; S57-F157 CarbonylContact C-O 3.05Å; S57-F157 VanDerWaalsContact CA-O 3.24Å; S57-F157 WeakPolarHBondContact CA-O 3.44Å; I58-F157 PolarHBondContact N-O 3.18Å; I58-F157 PolarHBondContact O-N 3.19Å; E127-F157 HydrophobicContact CG-CD1 4.09Å; E127-F157 HydrophobicContact CG-CE1 4.09Å; L135-F157 HydrophobicContact CB-CE2 4.05Å; L135-F157 HydrophobicContact CD1-CD2 4.04Å; L135-F157 HydrophobicContact CD1-CE2 4.01Å; T138-F157 HydrophobicContact CG2-CD2 4.36Å; T138-F157 HydrophobicContact CG2-CE1 4.21Å; T138-F157 HydrophobicContact CG2-CE2 3.81Å; T138-F157 HydrophobicContact CG2-CZ 3.73Å; L151-F157 HydrophobicContact CB-CE1 4Å; L151-F157 HydrophobicContact CD1-CD1 4.06Å; L151-F157 HydrophobicContact CD1-CE1 4.08Å; P152-F157 VanDerWaalsContact O-CZ 3.25Å; P152-F157 WeakPolarHBondContact O-CZ 3.34Å; A154-F157 HydrophobicContact CB-CE1 4.03Å; A154-F157 HydrophobicContact CB-CE2 4.14Å; A154-F157 HydrophobicContact CB-CZ 3.71Å; F157-F159 HydrophobicContact CB-CE2 3.79Å; F157-F159 HydrophobicContact CB-CZ 4.08Å
158T92.2Very high83.4Confident27 Ų2750.1 Ų50.117%0.16630%0.302CS..EExtended strand (participates in β ladder)trans-125.2125.9174.1-58.40000109.8R55 S57 Q125 E126R55-T158 HydrophobicContact CB-CG2 4.2Å; S57-T158 WeakPolarHBondContact CB-OG1 3.25Å; Q125-T158 WeakPolarHBondContact CA-O 3.31Å; E126-T158 PolarHBondContact N-O 3.35Å; E126-T158 PolarHBondContact O-N 2.95Å
159F92.1Very high82.1Confident0 Ų047.9 Ų47.90%030%0.299CS..EExtended strand (participates in β ladder)trans-110.7117.6175.9-56.3-85.6000108.2F32 F34 R55 I56 I58 F122 Q125 V140 L151 F157 F161F32-F159 HydrophobicContact CE2-CB 4.33Å; F32-F159 AromaticContact CE2-CD1 3.97Å; F32-F159 HydrophobicContact CE2-CD1 3.97Å; F32-F159 HydrophobicContact CE2-CD2 4.16Å; F32-F159 HydrophobicContact CE2-CE1 4.32Å; F32-F159 AromaticContact CE2-CG 3.88Å; F32-F159 HydrophobicContact CE2-CG 3.88Å; F32-F159 HydrophobicContact CZ-CB 4.45Å; F32-F159 HydrophobicContact CZ-CD1 4.2Å; F32-F159 AromaticContact CZ-CD2 3.61Å; F32-F159 HydrophobicContact CZ-CD2 3.61Å; F32-F159 HydrophobicContact CZ-CE1 4.38Å; F32-F159 AromaticContact CZ-CE2 3.83Å; F32-F159 HydrophobicContact CZ-CE2 3.83Å; F32-F159 AromaticContact CZ-CG 3.81Å; F32-F159 HydrophobicContact CZ-CG 3.81Å; F32-F159 HydrophobicContact CZ-CZ 4.22Å; F34-F159 AromaticContact CD2-CE2 3.65Å; F34-F159 HydrophobicContact CD2-CE2 3.65Å; F34-F159 AromaticContact CD2-CZ 3.54Å; F34-F159 HydrophobicContact CD2-CZ 3.54Å; F34-F159 AromaticContact CE2-CE2 3.98Å; F34-F159 HydrophobicContact CE2-CE2 3.98Å; F34-F159 AromaticContact CE2-CZ 3.85Å; F34-F159 HydrophobicContact CE2-CZ 3.85Å; F34-F159 HydrophobicContact CG-CE2 4.38Å; R55-F159 CarbonylContact C-O 3.31Å; R55-F159 WeakPolarHBondContact CA-O 3.43Å; R55-F159 WeakPolarHBondContact CB-O 3.17Å; I56-F159 PolarHBondContact N-O 3.42Å; I56-F159 PolarHBondContact O-N 3.37Å; I58-F159 HydrophobicContact CD1-CD2 4.09Å; I58-F159 HydrophobicContact CD1-CE2 3.73Å; F122-F159 HydrophobicContact CE2-CB 4.42Å; F122-F159 HydrophobicContact CE2-CD1 4.07Å; Q125-F159 HydrophobicContact CB-CD1 4.09Å; Q125-F159 HydrophobicContact CB-CE1 4.31Å; Q125-F159 HydrophobicContact CG-CD1 3.98Å; Q125-F159 HydrophobicContact CG-CE1 3.79Å; V140-F159 HydrophobicContact CB-CE1 4.23Å; V140-F159 HydrophobicContact CB-CZ 4.4Å; V140-F159 HydrophobicContact CG1-CE1 4.37Å; V140-F159 HydrophobicContact CG2-CD1 4.47Å; V140-F159 HydrophobicContact CG2-CE1 3.81Å; V140-F159 HydrophobicContact CG2-CZ 4.14Å; L151-F159 HydrophobicContact CD1-CE1 4.26Å; L151-F159 HydrophobicContact CD1-CZ 4.07Å; F157-F159 HydrophobicContact CB-CE2 3.79Å; F157-F159 HydrophobicContact CB-CZ 4.08Å; F159-F161 HydrophobicContact CB-CE2 3.89Å; F159-F161 HydrophobicContact CB-CZ 4.04Å; F159-F161 WeakPolarHBondContact O-CD2 3.33Å; F159-F161 WeakPolarHBondContact O-CE2 3.49Å
160S89.6Confident80.6Confident28 Ų2852.6 Ų52.620%0.19632%0.318CS..EExtended strand (participates in β ladder)trans-93143.4176.858.40000110.8Q123 H124Q123-S160 PolarHBondContact N-O 3.27Å; H124-S160 PolarHBondContact N-OG 3.31Å; H124-S160 VanDerWaalsContact N-OG 3.08Å; H124-S160 PolarHBondContact O-N 3.19Å; H124-S160 PolarHBondContact O-OG 3.23Å
161F88.5Confident78.8Confident6 Ų655.8 Ų55.83%0.02633%0.327CS..EExtended strand (participates in β ladder)trans-129.4156.2178.9-54.8-94.3000110.4F32 L54 I56 W94 L120 C121 W144 F159F32-F161 HydrophobicContact CD2-CZ 4.13Å; F32-F161 HydrophobicContact CE2-CZ 4.3Å; L54-F161 HydrophobicContact CB-CB 4.44Å; L54-F161 VanDerWaalsContact CB-O 3.24Å; L54-F161 WeakPolarHBondContact CB-O 3.42Å; L54-F161 WeakPolarHBondContact O-CA 3.2Å; L54-F161 WeakPolarHBondContact O-CB 3.43Å; L54-F161 PolarHBondContact O-N 3.11Å; I56-F161 HydrophobicContact CB-CE2 3.96Å; I56-F161 HydrophobicContact CD1-CE2 3.68Å; I56-F161 HydrophobicContact CD1-CZ 3.85Å; I56-F161 HydrophobicContact CG1-CD2 4.44Å; I56-F161 HydrophobicContact CG1-CE2 3.62Å; I56-F161 HydrophobicContact CG1-CZ 4.3Å; W94-F161 HydrophobicContact CZ3-CD1 4.43Å; W94-F161 HydrophobicContact CZ3-CE1 4.03Å; W94-F161 HydrophobicContact CZ3-CZ 4.44Å; L120-F161 HydrophobicContact CB-CB 3.77Å; L120-F161 HydrophobicContact CB-CD1 4.07Å; L120-F161 HydrophobicContact CB-CG 4.05Å; L120-F161 HydrophobicContact CD1-CB 4.47Å; C121-F161 CarbonylContact O-C 3.58Å; C121-F161 WeakPolarHBondContact O-CA 3.48Å; C121-F161 VanDerWaalsContact O-CB 3.28Å; C121-F161 WeakPolarHBondContact O-CB 3.39Å; W144-F161 AromaticContact CH2-CE1 4Å; W144-F161 HydrophobicContact CH2-CE1 4Å; W144-F161 HydrophobicContact CZ3-CE1 4.28Å; F159-F161 HydrophobicContact CB-CE2 3.89Å; F159-F161 HydrophobicContact CB-CZ 4.04Å; F159-F161 WeakPolarHBondContact O-CD2 3.33Å; F159-F161 WeakPolarHBondContact O-CE2 3.49Å
162H84.9Confident77.4Confident52 Ų5257.8 Ų57.824%0.24135%0.347CS..EExtended strand (participates in β ladder)trans-121.9154.3170.368.793.4000110.5C121 F122 D175C121-H162 PolarHBondContact N-O 2.66Å; C121-H162 PolarHBondContact O-CD2 2.72Å; C121-H162 PolarHBondContact O-N 2.92Å; F122-H162 PolarHBondContact O-CD2 2.85Å; F122-H162 VanDerWaalsContact O-CD2 3.29Å; F122-H162 PolarHBondContact O-NE2 3.04Å; H162-D175 IonicContact CE1-OD2 2.99Å
163S82.3Confident76.2Confident58 Ų5857 Ų5741%0.40634%0.343SS..PPolyproline II helixtrans-76.2153.3167.5-60.50000110.2L54L54-S163 WeakPolarHBondContact CD1-OG 3.42Å
164P76Confident75.2Confident19 Ų1954.8 Ų54.812%0.12333%0.326CS..PPolyproline II helixtrans-59.5141.1171.623.7-33000110.5L119 H166 C177 R181L119-P164 HydrophobicContact CD2-CG 4.29Å; P164-H166 PolarHBondContact O-N 3.49Å; P164-C177 VanDerWaalsContact CA-SG 3.53Å; P164-C177 HydrophobicContact CB-CB 4.48Å; P164-R181 HydrophobicContact CB-CB 3.97Å; P164-R181 HydrophobicContact CB-CG 4.35Å; P164-R181 HydrophobicContact CG-CB 4.1Å; P164-R181 HydrophobicContact CG-CG 4.09Å
165P71.9Confident74.6Confident44 Ų4457 Ų5729%0.28634%0.337SS..PPolyproline II helixtrans-60.1137.4-179.523.7-32.3000111.3E178 R181P165-E178 HydrophobicContact CG-CB 4.17Å; P165-R181 PolarHBondContact O-NH1 2.81Å
166H66.3Low74.2Confident175 Ų17558.5 Ų58.581%0.8134%0.343SS*.SBendtrans-72-32.3178.7-76.3-64.8000112.5P164P164-H166 PolarHBondContact O-N 3.49Å
167T61Low73.7Confident118 Ų11858.3 Ų58.372%0.72434%0.342SS*.SBendtrans-107132179.335.20000111A169T167-A169 PolarHBondContact O-N 3.31Å
168A56.5Low73.3Confident51 Ų5159 Ų5942%0.42135%0.345SS..  trans-64.1125.8174.400000109.8H170 E178A168-H170 PolarHBondContact O-N 2.93Å; A168-E178 WeakPolarHBondContact CA-OE1 3.23Å; A168-E178 WeakPolarHBondContact CB-OE1 3.4Å
169A55.8Low73Confident59 Ų5957.7 Ų57.749%0.48834%0.337SS..  trans-73.6101.3173.800000108.8T167 N171 A172T167-A169 PolarHBondContact O-N 3.31Å; A169-N171 PolarHBondContact O-N 3.17Å; A169-A172 HydrophobicContact CB-CB 3.9Å
170H54.8Low72.8Confident176 Ų17658 Ų5882%0.81534%0.338SS*.THydrogen-bonded Turntrans-57.7-20.7-173.1-77.9-70.9000115.4A168A168-H170 PolarHBondContact O-N 2.93Å
171N52.3Low72.6Confident171 Ų17159.2 Ų59.291%0.91434%0.339SS*.THydrogen-bonded Turntrans-136.111.4-173.3-74-26.1000115A169A169-N171 PolarHBondContact O-N 3.17Å
172A57.5Low72.5Confident63 Ų6360.3 Ų60.352%0.52135%0.345SS..SBendtrans-103.7157.8173.700000110.4A169 V174A169-A172 HydrophobicContact CB-CB 3.9Å; A172-V174 PolarHBondContact O-N 3.47Å
173S63.7Low72.7Confident53 Ų5357.9 Ų57.937%0.37133%0.334SS..PPolyproline II helixtrans-52.7134.4168.652.10000109.6D175S173-D175 PolarHBondContact O-N 3.28Å
174V69Low73Confident28 Ų2857 Ų5717%0.1732%0.323CS..PPolyproline II helixtrans-54.7123.8179.9174.90000109.5A172 L179 K215 S218A172-V174 PolarHBondContact O-N 3.47Å; V174-L179 HydrophobicContact CG1-CB 4Å; V174-K215 HydrophobicContact CG2-CG 4.38Å; V174-S218 WeakPolarHBondContact CG2-OG 3.32Å
175D76.8Confident73.5Confident58 Ų5860.4 Ų60.431%0.3134%0.34SS..PPolyproline II helixtrans-65133.2173.9178.617.4000109H162 S173 C177 E178 L179H162-D175 IonicContact CE1-OD2 2.99Å; S173-D175 PolarHBondContact O-N 3.28Å; D175-C177 PolarHBondContact O-N 3.1Å; D175-C177 VanDerWaalsContact O-N 3.17Å; D175-C177 PolarHBondContact OD1-N 2.9Å; D175-C177 VanDerWaalsContact OD2-CB 3.22Å; D175-C177 WeakPolarHBondContact OD2-CB 3.24Å; D175-E178 HydrophobicContact CB-CB 4.1Å; D175-E178 PolarHBondContact O-N 3.31Å; D175-E178 VanDerWaalsContact O-N 3.11Å; D175-L179 PolarHBondContact O-N 3.43Å
176M81.6Confident74.3Confident37 Ų3759.4 Ų59.418%0.18233%0.332CS..Hα-helixtrans-55.6-33.5176.2-70.9178.365.100111.1W144 K180 V219 R220 F221 V226 F228W144-M176 HydrophobicContact CB-CE 4.36Å; M176-K180 WeakPolarHBondContact O-CB 3.35Å; M176-K180 PolarHBondContact O-N 2.77Å; M176-V219 HydrophobicContact CB-CG2 4.37Å; M176-V219 HydrophobicContact CG-CG2 3.47Å; M176-V219 VanDerWaalsContact CG-CG2 3.47Å; M176-R220 VanDerWaalsContact SD-O 3.37Å; M176-F221 HydrophobicContact SD-CB 4.23Å; M176-V226 HydrophobicContact CE-CG2 3.94Å; M176-F228 HydrophobicContact CB-CE1 4.49Å; M176-F228 HydrophobicContact CE-CE1 4.44Å; M176-F228 HydrophobicContact CE-CZ 4.38Å
177C82.3Confident75.3Confident2 Ų251.3 Ų51.31%0.01430%0.295CS..Hα-helixtrans-69.8-42.4178.1-161.60000112.7C121 P164 D175 L179 K180 R181C121-C177 HydrophobicContact CB-CB 3.62Å; C121-C177 WeakPolarHBondContact CB-SG 3.37Å; C121-C177 WeakPolarHBondContact SG-CA 3.32Å; C121-C177 WeakPolarHBondContact SG-CB 3.33Å; C121-C177 CovalentContact SG-SG 2.01Å; C121-C177 PolarHBondContact SG-SG 3.4Å; P164-C177 VanDerWaalsContact CA-SG 3.53Å; P164-C177 HydrophobicContact CB-CB 4.48Å; D175-C177 PolarHBondContact O-N 3.1Å; D175-C177 VanDerWaalsContact O-N 3.17Å; D175-C177 PolarHBondContact OD1-N 2.9Å; D175-C177 VanDerWaalsContact OD2-CB 3.22Å; D175-C177 WeakPolarHBondContact OD2-CB 3.24Å; C177-L179 VanDerWaalsContact C-N 3.34Å; C177-K180 PolarHBondContact O-N 2.87Å; C177-R181 PolarHBondContact O-N 3.3Å
178E83.2Confident76.5Confident13 Ų1350.5 Ų50.56%0.06128%0.283CS..Hα-helixtrans-60.2-46.5174.9-173.9-178.5176.200110.6P165 A168 D175 K180 R181 D182P165-E178 HydrophobicContact CG-CB 4.17Å; A168-E178 WeakPolarHBondContact CA-OE1 3.23Å; A168-E178 WeakPolarHBondContact CB-OE1 3.4Å; D175-E178 HydrophobicContact CB-CB 4.1Å; D175-E178 PolarHBondContact O-N 3.31Å; D175-E178 VanDerWaalsContact O-N 3.11Å; E178-K180 PolarHBondContact O-N 2.92Å; E178-R181 WeakPolarHBondContact O-CB 3.48Å; E178-R181 PolarHBondContact O-N 3.47Å; E178-D182 VanDerWaalsContact O-CG 3.29Å; E178-D182 PolarHBondContact O-N 3.21Å
179L86.7Confident77.9Confident0 Ų050.5 Ų50.50%027%0.274CS..Hα-helixtrans-61.2-43.5176.5176.959.2000112.3V174 D175 C177 R181 D182 L183 K215 L216 V219 F228V174-L179 HydrophobicContact CG1-CB 4Å; D175-L179 PolarHBondContact O-N 3.43Å; C177-L179 VanDerWaalsContact C-N 3.34Å; L179-R181 VanDerWaalsContact C-N 3.34Å; L179-R181 PolarHBondContact O-N 2.97Å; L179-D182 PolarHBondContact O-N 2.92Å; L179-L183 HydrophobicContact CD1-CD1 4.31Å; L179-L183 HydrophobicContact CD1-CG 4.29Å; L179-L183 HydrophobicContact CG-CD1 4.23Å; L179-L183 WeakPolarHBondContact O-CB 2.93Å; L179-L183 WeakPolarHBondContact O-CG 3.33Å; L179-L183 PolarHBondContact O-N 3.36Å; L179-K215 HydrophobicContact CD1-CB 3.89Å; L179-L216 HydrophobicContact CD1-CD2 4.38Å; L179-L216 HydrophobicContact CD1-CG 4.27Å; L179-L216 HydrophobicContact CD2-CD2 3.86Å; L179-L216 HydrophobicContact CD2-CG 4.35Å; L179-V219 HydrophobicContact CD2-CB 4.11Å; L179-V219 HydrophobicContact CD2-CG1 4.42Å; L179-V219 HydrophobicContact CD2-CG2 4.1Å; L179-F228 HydrophobicContact CD2-CD2 4.39Å; L179-F228 HydrophobicContact CD2-CE1 4Å; L179-F228 HydrophobicContact CD2-CE2 3.84Å; L179-F228 HydrophobicContact CD2-CZ 3.64Å; L179-F228 HydrophobicContact CG-CE1 4.37Å; L179-F228 HydrophobicContact CG-CZ 4.49Å
180K87Confident79.2Confident7 Ų747.9 Ų47.93%0.0325%0.251CS..Hα-helixtrans-60.5-42.3176.7-171.766.5165.4163.20111.6L119 W143 M176 C177 E178 Q184 F228 E229 E230L119-K180 HydrophobicContact CD1-CG 3.9Å; L119-K180 HydrophobicContact CD2-CG 4.3Å; W143-K180 HydrophobicContact CE3-CD 4.26Å; W143-K180 HydrophobicContact CH2-CB 3.82Å; W143-K180 HydrophobicContact CH2-CD 4.06Å; W143-K180 HydrophobicContact CH2-CG 3.8Å; W143-K180 HydrophobicContact CZ2-CB 4.38Å; W143-K180 HydrophobicContact CZ2-CG 4.09Å; W143-K180 HydrophobicContact CZ3-CB 4.39Å; W143-K180 HydrophobicContact CZ3-CD 3.86Å; W143-K180 HydrophobicContact CZ3-CG 4.14Å; M176-K180 WeakPolarHBondContact O-CB 3.35Å; M176-K180 PolarHBondContact O-N 2.77Å; C177-K180 PolarHBondContact O-N 2.87Å; E178-K180 PolarHBondContact O-N 2.92Å; K180-Q184 WeakPolarHBondContact O-CB 3.48Å; K180-Q184 PolarHBondContact O-N 2.9Å; K180-F228 HydrophobicContact CD-CD1 4.26Å; K180-E229 PolarHBondContact NZ-O 3.48Å; K180-E230 VanDerWaalsContact CD-OE1 3.28Å; K180-E230 WeakPolarHBondContact CD-OE1 3.44Å; K180-E230 WeakPolarHBondContact CE-OE1 3.45Å; K180-E230 IonicContact NZ-OE1 3.98Å; K180-E230 PolarHBondContact NZ-OE1 3.49Å
181R86.4Confident80.5Confident53 Ų5343.6 Ų43.620%0.223%0.23CC..Hα-helixtrans-62.8-44.7174.9-173.7-161.166-177.1-4.6111.6L119 P164 P165 C177 E178 L179 Q184 L185L119-R181 HydrophobicContact CD2-CB 3.8Å; L119-R181 HydrophobicContact CD2-CG 4.39Å; P164-R181 HydrophobicContact CB-CB 3.97Å; P164-R181 HydrophobicContact CB-CG 4.35Å; P164-R181 HydrophobicContact CG-CB 4.1Å; P164-R181 HydrophobicContact CG-CG 4.09Å; P165-R181 PolarHBondContact O-NH1 2.81Å; C177-R181 PolarHBondContact O-N 3.3Å; E178-R181 WeakPolarHBondContact O-CB 3.48Å; E178-R181 PolarHBondContact O-N 3.47Å; L179-R181 VanDerWaalsContact C-N 3.34Å; L179-R181 PolarHBondContact O-N 2.97Å; R181-Q184 WeakPolarHBondContact O-CB 2.97Å; R181-Q184 PolarHBondContact O-N 3.31Å; R181-L185 HydrophobicContact CG-CD1 4.47Å; R181-L185 WeakPolarHBondContact O-CG 3.45Å; R181-L185 PolarHBondContact O-N 3.1Å
182D87.4Confident81.6Confident30 Ų3040.5 Ų40.516%0.1621%0.21CC..Hα-helixtrans-66.9-39.7-178.7-68.8-5.2000111.6E178 L179 Q184 L185 L186 K215E178-D182 VanDerWaalsContact O-CG 3.29Å; E178-D182 PolarHBondContact O-N 3.21Å; L179-D182 PolarHBondContact O-N 2.92Å; D182-Q184 VanDerWaalsContact C-N 3.33Å; D182-Q184 PolarHBondContact O-N 3.12Å; D182-L185 PolarHBondContact O-N 3.37Å; D182-L186 WeakPolarHBondContact O-CB 3.37Å; D182-L186 PolarHBondContact O-N 3.31Å; D182-K215 IonicContact OD2-NZ 2.82Å; D182-K215 PolarHBondContact OD2-NZ 3.16Å
183L89.1Confident82Confident1 Ų139.9 Ų39.91%0.00520%0.201CC..Hα-helixtrans-60.8-40.2170.4-77.2172.6000112.1L179 L186 S187 L212 F228 E230 I233L179-L183 HydrophobicContact CD1-CD1 4.31Å; L179-L183 HydrophobicContact CD1-CG 4.29Å; L179-L183 HydrophobicContact CG-CD1 4.23Å; L179-L183 WeakPolarHBondContact O-CB 2.93Å; L179-L183 WeakPolarHBondContact O-CG 3.33Å; L179-L183 PolarHBondContact O-N 3.36Å; L183-L186 PolarHBondContact O-N 3.06Å; L183-S187 VanDerWaalsContact O-CB 3.3Å; L183-S187 WeakPolarHBondContact O-CB 3.3Å; L183-S187 PolarHBondContact O-N 3.29Å; L183-L212 HydrophobicContact CD2-CD1 3.57Å; L183-L212 HydrophobicContact CG-CD1 4.4Å; L183-F228 HydrophobicContact CD1-CB 3.36Å; L183-F228 HydrophobicContact CD1-CD1 4.23Å; L183-F228 HydrophobicContact CD1-CG 3.84Å; L183-E230 HydrophobicContact CB-CG 4.02Å; L183-I233 HydrophobicContact CD2-CD1 3.66Å; L183-I233 HydrophobicContact CD2-CG1 4.26Å; L183-I233 HydrophobicContact CD2-CG2 4.27Å
184Q86.8Confident81.8Confident39 Ų3945.2 Ų45.218%0.18222%0.22CC..Hα-helixtrans-63.1-45.7174.8178.5-172.4-23.100111.4K180 R181 D182 L186 S187 Q188K180-Q184 WeakPolarHBondContact O-CB 3.48Å; K180-Q184 PolarHBondContact O-N 2.9Å; R181-Q184 WeakPolarHBondContact O-CB 2.97Å; R181-Q184 PolarHBondContact O-N 3.31Å; D182-Q184 VanDerWaalsContact C-N 3.33Å; D182-Q184 PolarHBondContact O-N 3.12Å; Q184-L186 VanDerWaalsContact C-N 3.31Å; Q184-L186 PolarHBondContact O-N 3.33Å; Q184-S187 WeakPolarHBondContact O-CB 3.15Å; Q184-S187 PolarHBondContact O-N 3.39Å; Q184-Q188 WeakPolarHBondContact O-CG 3.23Å; Q184-Q188 PolarHBondContact O-N 3.36Å
185L87Confident81Confident91 Ų9151.7 Ų51.748%0.47625%0.246SC..Hα-helixtrans-62-41.2177.1-71.7172.2000111.1R181 D182 Q188 F189R181-L185 HydrophobicContact CG-CD1 4.47Å; R181-L185 WeakPolarHBondContact O-CG 3.45Å; R181-L185 PolarHBondContact O-N 3.1Å; D182-L185 PolarHBondContact O-N 3.37Å; L185-Q188 PolarHBondContact O-N 3.37Å; L185-F189 PolarHBondContact O-N 2.67Å
186L88.7Confident79.5Confident23 Ų2350.2 Ų50.212%0.1224%0.241CC..Hα-helixtrans-63.7-45174.5-174.558.8000111.4D182 L183 Q184 Q188 F189 L190 L212 I233 F293 L298D182-L186 WeakPolarHBondContact O-CB 3.37Å; D182-L186 PolarHBondContact O-N 3.31Å; L183-L186 PolarHBondContact O-N 3.06Å; Q184-L186 VanDerWaalsContact C-N 3.31Å; Q184-L186 PolarHBondContact O-N 3.33Å; L186-Q188 VanDerWaalsContact C-N 3.31Å; L186-Q188 PolarHBondContact O-N 3.09Å; L186-F189 HydrophobicContact CD1-CD1 4.29Å; L186-F189 WeakPolarHBondContact O-CB 3.39Å; L186-F189 PolarHBondContact O-N 3.38Å; L186-F189 VanDerWaalsContact O-N 3.13Å; L186-L190 HydrophobicContact CG-CD1 4.37Å; L186-L190 VanDerWaalsContact O-CG 3.29Å; L186-L190 WeakPolarHBondContact O-CG 3.34Å; L186-L190 PolarHBondContact O-N 2.92Å; L186-L212 HydrophobicContact CD2-CD2 4.03Å; L186-I233 HydrophobicContact CD2-CD1 3.74Å; L186-F293 HydrophobicContact CD2-CE1 4.46Å; L186-L298 HydrophobicContact CD1-CD1 4.37Å
187S88.4Confident77.8Confident4 Ų453.2 Ų53.23%0.02827%0.266CS..Hα-helixtrans-57.6-42175.1-173.90000112.2L183 Q184 L190 K191 R232L183-S187 VanDerWaalsContact O-CB 3.3Å; L183-S187 WeakPolarHBondContact O-CB 3.3Å; L183-S187 PolarHBondContact O-N 3.29Å; Q184-S187 WeakPolarHBondContact O-CB 3.15Å; Q184-S187 PolarHBondContact O-N 3.39Å; S187-L190 PolarHBondContact O-N 3.32Å; S187-K191 WeakPolarHBondContact O-CG 3.34Å; S187-K191 PolarHBondContact O-N 3.08Å; S187-R232 PolarHBondContact OG-N 3.3Å; S187-R232 VanDerWaalsContact OG-N 3.16Å
188Q86.3Confident75.9Confident101 Ų10163.9 Ų63.947%0.47231%0.306SS..Hα-helixtrans-65.6-40.1175.1-72.5177.8-3.800112.4Q184 L185 L186 K191 H192Q184-Q188 WeakPolarHBondContact O-CG 3.23Å; Q184-Q188 PolarHBondContact O-N 3.36Å; L185-Q188 PolarHBondContact O-N 3.37Å; L186-Q188 VanDerWaalsContact C-N 3.31Å; L186-Q188 PolarHBondContact O-N 3.09Å; Q188-K191 PolarHBondContact O-N 2.84Å; Q188-H192 PolarHBondContact O-N 3.28Å
189F84Confident73.6Confident52 Ų5272.2 Ų72.223%0.22834%0.337CS..Hα-helixtrans-60.5-46.9173.2171-94.8000111.3L185 L186 K191 H192 A196 L298L185-F189 PolarHBondContact O-N 2.67Å; L186-F189 HydrophobicContact CD1-CD1 4.29Å; L186-F189 WeakPolarHBondContact O-CB 3.39Å; L186-F189 PolarHBondContact O-N 3.38Å; L186-F189 VanDerWaalsContact O-N 3.13Å; F189-K191 VanDerWaalsContact C-N 3.3Å; F189-K191 PolarHBondContact O-N 2.95Å; F189-H192 CarbonylContact O-C 3.47Å; F189-H192 VanDerWaalsContact O-C 3.23Å; F189-H192 PolarHBondContact O-N 2.81Å; F189-H192 VanDerWaalsContact O-N 3.1Å; F189-A196 HydrophobicContact CD2-CB 3.37Å; F189-A196 HydrophobicContact CE2-CB 3.38Å; F189-L298 HydrophobicContact CE1-CD2 4.05Å
190L84.7Confident71.3Confident4 Ų478.9 Ų78.92%0.02138%0.38CS..Hα-helixtrans-62-34.2177.7-67.5174.2000112.8L186 S187 H192 R232 I233 F293 A297 L298L186-L190 HydrophobicContact CG-CD1 4.37Å; L186-L190 VanDerWaalsContact O-CG 3.29Å; L186-L190 WeakPolarHBondContact O-CG 3.34Å; L186-L190 PolarHBondContact O-N 2.92Å; S187-L190 PolarHBondContact O-N 3.32Å; L190-H192 VanDerWaalsContact C-N 3.32Å; L190-H192 PolarHBondContact O-N 2.85Å; L190-R232 HydrophobicContact CB-CB 4.02Å; L190-R232 HydrophobicContact CB-CG 4.46Å; L190-R232 HydrophobicContact CD1-CB 4.21Å; L190-I233 HydrophobicContact CD1-CB 4.45Å; L190-F293 HydrophobicContact CD1-CD1 3.8Å; L190-F293 HydrophobicContact CD1-CE1 4.25Å; L190-A297 HydrophobicContact CD2-CB 3.93Å; L190-L298 HydrophobicContact CD2-CD1 4.08Å; L190-L298 HydrophobicContact CD2-CG 3.83Å
191K82.2Confident69.2Low86 Ų8683.3 Ų83.337%0.37441%0.412SS..Hα-helixtrans-65-34.7174.2-75.1-175.5-176.8-174.50112.8S187 Q188 F189 D231 R232S187-K191 WeakPolarHBondContact O-CG 3.34Å; S187-K191 PolarHBondContact O-N 3.08Å; Q188-K191 PolarHBondContact O-N 2.84Å; F189-K191 VanDerWaalsContact C-N 3.3Å; F189-K191 PolarHBondContact O-N 2.95Å; K191-D231 VanDerWaalsContact CE-CB 3.48Å; K191-D231 WeakPolarHBondContact CE-OD2 3.43Å; K191-D231 IonicContact NZ-OD2 3.74Å; K191-D231 PolarHBondContact NZ-OD2 3.39Å; K191-R232 HydrophobicContact CG-CG 3.59Å
192H75Confident67.6Low106 Ų10683.4 Ų83.449%0.49142%0.424SS..  trans-135.865.9-170.8-66.3-13.5000112.3Q188 F189 L190 Q194 K195Q188-H192 PolarHBondContact O-N 3.28Å; F189-H192 CarbonylContact O-C 3.47Å; F189-H192 VanDerWaalsContact O-C 3.23Å; F189-H192 PolarHBondContact O-N 2.81Å; F189-H192 VanDerWaalsContact O-N 3.1Å; L190-H192 VanDerWaalsContact C-N 3.32Å; L190-H192 PolarHBondContact O-N 2.85Å; H192-Q194 VanDerWaalsContact C-N 3.26Å; H192-Q194 PolarHBondContact O-N 3.27Å; H192-K195 HydrophobicContact CB-CB 4.43Å; H192-K195 HydrophobicContact CB-CD 4.45Å; H192-K195 PolarHBondContact O-N 2.85Å
193P65.7Low66.4Low49 Ų4984 Ų8432%0.31843%0.433SS..Hα-helixtrans-60.5-35.6-176.122.7-32.6000112.5K195 A196 S197 A297P193-K195 PolarHBondContact O-N 3.47Å; P193-A196 PolarHBondContact O-N 3.02Å; P193-S197 PolarHBondContact O-N 3.39Å; P193-A297 HydrophobicContact CB-CB 4.15Å; P193-A297 HydrophobicContact CG-CB 4.4Å
194Q58.7Low65.6Low165 Ų16586.1 Ų86.177%0.77145%0.447SS*.Hα-helixtrans-68.1-29.1-177.9-66.2-156.4-21.700114.8H192 A196H192-Q194 VanDerWaalsContact C-N 3.26Å; H192-Q194 PolarHBondContact O-N 3.27Å; Q194-A196 VanDerWaalsContact C-N 3.26Å; Q194-A196 PolarHBondContact O-N 3.32Å
195K52.1Low65Low165 Ų16585.7 Ų85.772%0.71745%0.45SS*.Hα-helixtrans-71.5-24.9176-79.2-178.6-179.4171.50111.9H192 P193H192-K195 HydrophobicContact CB-CB 4.43Å; H192-K195 HydrophobicContact CB-CD 4.45Å; H192-K195 PolarHBondContact O-N 2.85Å; P193-K195 PolarHBondContact O-N 3.47Å
196A45.9Very low64.5Low26 Ų2682.8 Ų82.822%0.21544%0.437CS..Hα-helixtrans-96.7-28.7-177.100000113.8F189 P193 Q194 R198 R199F189-A196 HydrophobicContact CD2-CB 3.37Å; F189-A196 HydrophobicContact CE2-CB 3.38Å; P193-A196 PolarHBondContact O-N 3.02Å; Q194-A196 VanDerWaalsContact C-N 3.26Å; Q194-A196 PolarHBondContact O-N 3.32Å; A196-R198 PolarHBondContact O-N 3.5Å; A196-R198 VanDerWaalsContact O-N 3.07Å; A196-R199 WeakPolarHBondContact O-CB 3.45Å; A196-R199 PolarHBondContact O-N 3.34Å
197S46.3Very low64.2Low100 Ų10086 Ų8670%0.69945%0.451SS*.Hα-helixtrans-55.4-24.6174.5177.50000113.3P193 R199P193-S197 PolarHBondContact O-N 3.39Å; S197-R199 PolarHBondContact O-N 3.47Å
198R41.5Very low63.9Low226 Ų22688.1 Ų88.185%0.85346%0.461SS*.THydrogen-bonded Turntrans-69.4-7.9172.1-66.1-175.5-179177.8-0.2114.9A196A196-R198 PolarHBondContact O-N 3.5Å; A196-R198 VanDerWaalsContact O-N 3.07Å
199R35Very low63.9Low189 Ų18983.3 Ų83.371%0.71344%0.438SS*.  trans-93.6117.9173-99.2179177.9169.6-1109.7A196 S197 S201A196-R199 WeakPolarHBondContact O-CB 3.45Å; A196-R199 PolarHBondContact O-N 3.34Å; S197-R199 PolarHBondContact O-N 3.47Å; R199-S201 PolarHBondContact O-N 2.93Å
200P39Very low64Low140 Ų14085.9 Ų85.991%0.90945%0.451SS*.THydrogen-bonded Turntrans-61.8-9.2177.5-22.232.3000115.3
201S42.5Very low64.1Low100 Ų10088.1 Ų88.170%0.69947%0.467SS*.THydrogen-bonded Turntrans-108.918.5-171.6740000114.1R199 A203R199-S201 PolarHBondContact O-N 2.93Å; S201-A203 PolarHBondContact O-N 2.81Å
202A53.5Low64.4Low55 Ų5584.7 Ų84.746%0.45545%0.453SS..PPolyproline II helixtrans-65.1116.6171.700000108.3
203A63Low65.1Low41 Ų4182 Ų8234%0.33944%0.44SS..PPolyproline II helixtrans-56140.9174.400000109.2S201 Q207 Q208S201-A203 PolarHBondContact O-N 2.81Å; A203-Q207 HydrophobicContact CB-CB 4.34Å; A203-Q208 HydrophobicContact CB-CG 4.11Å
204P70.7Confident66.2Low46 Ų4682.6 Ų82.630%0.29945%0.446SS..PPolyproline II helixtrans-54.5146.1176.520.4-31.1000110.6S206 Q207 Q208 L355P204-S206 PolarHBondContact O-N 3.01Å; P204-S206 VanDerWaalsContact O-N 3.09Å; P204-Q207 HydrophobicContact CG-CB 4.17Å; P204-Q207 HydrophobicContact CG-CG 3.81Å; P204-Q207 WeakPolarHBondContact O-CB 3.28Å; P204-Q207 PolarHBondContact O-N 3.42Å; P204-Q208 PolarHBondContact O-N 3.08Å; P204-L355 HydrophobicContact CG-CD2 4.45Å
205A74.7Confident67.6Low30 Ų3077.3 Ų77.325%0.24842%0.421CS..Hα-helixtrans-52.9-36.9-174.300000112.9Q207 Q208 L209 L298A205-Q207 PolarHBondContact O-N 2.99Å; A205-Q208 WeakPolarHBondContact O-CB 3.43Å; A205-Q208 PolarHBondContact O-N 2.75Å; A205-Q208 VanDerWaalsContact O-N 3.17Å; A205-L209 WeakPolarHBondContact O-CG 3.44Å; A205-L209 PolarHBondContact O-N 3.48Å; A205-L298 HydrophobicContact CB-CB 4.34Å; A205-L298 HydrophobicContact CB-CD2 4.21Å; A205-L298 WeakPolarHBondContact CB-O 3.29Å
206S77.5Confident69.3Low30 Ų3069.4 Ų69.421%0.2139%0.386CS..Hα-helixtrans-60-42.9175.354.10000113.2P204 Q208 L209 Q210 E351P204-S206 PolarHBondContact O-N 3.01Å; P204-S206 VanDerWaalsContact O-N 3.09Å; S206-Q208 VanDerWaalsContact C-N 3.31Å; S206-Q208 PolarHBondContact O-N 3.39Å; S206-L209 PolarHBondContact O-N 2.93Å; S206-Q210 WeakPolarHBondContact O-CB 3.36Å; S206-Q210 VanDerWaalsContact O-CG 3.23Å; S206-Q210 WeakPolarHBondContact O-CG 3.44Å; S206-Q210 PolarHBondContact O-N 2.9Å; S206-E351 WeakPolarHBondContact CB-OE2 3.28Å
207Q81.4Confident71.2Confident90 Ų9069 Ų6942%0.42138%0.381SS..Hα-helixtrans-66.3-35.7175.8-74.11793.900111.7A203 P204 A205 S211A203-Q207 HydrophobicContact CB-CB 4.34Å; P204-Q207 HydrophobicContact CG-CB 4.17Å; P204-Q207 HydrophobicContact CG-CG 3.81Å; P204-Q207 WeakPolarHBondContact O-CB 3.28Å; P204-Q207 PolarHBondContact O-N 3.42Å; A205-Q207 PolarHBondContact O-N 2.99Å; Q207-S211 WeakPolarHBondContact O-CB 3.41Å; Q207-S211 PolarHBondContact O-N 3.37Å
208Q82.3Confident73.1Confident49 Ų4966.5 Ų66.523%0.22936%0.364CS..Hα-helixtrans-67-43.9176.4-63.8-176.9-51.300111.5A203 P204 A205 S206 S211 L212A203-Q208 HydrophobicContact CB-CG 4.11Å; P204-Q208 PolarHBondContact O-N 3.08Å; A205-Q208 WeakPolarHBondContact O-CB 3.43Å; A205-Q208 PolarHBondContact O-N 2.75Å; A205-Q208 VanDerWaalsContact O-N 3.17Å; S206-Q208 VanDerWaalsContact C-N 3.31Å; S206-Q208 PolarHBondContact O-N 3.39Å; Q208-S211 PolarHBondContact O-N 3.33Å; Q208-L212 VanDerWaalsContact O-CB 3.27Å; Q208-L212 WeakPolarHBondContact O-CB 2.92Å; Q208-L212 PolarHBondContact O-N 2.86Å
209L86.2Confident75.2Confident0 Ų055.8 Ų55.80%032%0.323CS..Hα-helixtrans-64.2-48.2176.6-68.2173.2000111.4A205 S206 S211 L212 E213 F293 L298 F299 Y384A205-L209 WeakPolarHBondContact O-CG 3.44Å; A205-L209 PolarHBondContact O-N 3.48Å; S206-L209 PolarHBondContact O-N 2.93Å; L209-S211 PolarHBondContact O-N 3.45Å; L209-L212 WeakPolarHBondContact O-CB 3.47Å; L209-L212 PolarHBondContact O-N 2.84Å; L209-L212 VanDerWaalsContact O-N 3.1Å; L209-E213 WeakPolarHBondContact O-CG 3.21Å; L209-E213 PolarHBondContact O-N 2.96Å; L209-F293 HydrophobicContact CD2-CE2 4.18Å; L209-F293 HydrophobicContact CD2-CZ 3.78Å; L209-L298 HydrophobicContact CD2-CD1 4.14Å; L209-F299 HydrophobicContact CD1-CD1 4.5Å; L209-F299 HydrophobicContact CD1-CE1 3.63Å; L209-F299 HydrophobicContact CD1-CZ 4.03Å; L209-F299 HydrophobicContact CD2-CE1 4.39Å; L209-F299 HydrophobicContact CD2-CZ 3.94Å; L209-Y384 HydrophobicContact CD1-CD2 4.49Å; L209-Y384 HydrophobicContact CD1-CE2 4.15Å; L209-Y384 HydrophobicContact CD2-CE1 4.05Å; L209-Y384 HydrophobicContact CD2-CE2 4.5Å
210Q86.1Confident77.4Confident107 Ų10755.4 Ų55.450%0.532%0.322SS..Hα-helixtrans-61.8-41.8177-70.4171.81500112.2S206 L212 E213 S214 E351S206-Q210 WeakPolarHBondContact O-CB 3.36Å; S206-Q210 VanDerWaalsContact O-CG 3.23Å; S206-Q210 WeakPolarHBondContact O-CG 3.44Å; S206-Q210 PolarHBondContact O-N 2.9Å; Q210-L212 VanDerWaalsContact C-N 3.31Å; Q210-L212 PolarHBondContact O-N 3.07Å; Q210-E213 PolarHBondContact O-N 3.42Å; Q210-S214 WeakPolarHBondContact O-CB 3.33Å; Q210-S214 PolarHBondContact O-N 2.86Å; Q210-S214 PolarHBondContact O-OG 2.64Å; Q210-E351 PolarHBondContact NE2-OE2 3.47Å
211S86.4Confident79.5Confident51 Ų5149.7 Ų49.736%0.35728%0.283SS..Hα-helixtrans-61.9-41.3174.2179.80000111.2Q207 Q208 L209 S214 K215Q207-S211 WeakPolarHBondContact O-CB 3.41Å; Q207-S211 PolarHBondContact O-N 3.37Å; Q208-S211 PolarHBondContact O-N 3.33Å; L209-S211 PolarHBondContact O-N 3.45Å; S211-S214 PolarHBondContact O-N 3.37Å; S211-S214 PolarHBondContact O-OG 2.86Å; S211-K215 WeakPolarHBondContact O-CG 3.17Å; S211-K215 PolarHBondContact O-N 2.95Å; S211-K215 VanDerWaalsContact O-N 3.1Å
212L88.5Confident81.1Confident14 Ų1453.8 Ų53.87%0.07329%0.293CS..Hα-helixtrans-65.2-48.7179.4177.763.3000111.4L183 L186 Q208 L209 Q210 S214 K215 L216 I233 V291 F293L183-L212 HydrophobicContact CD2-CD1 3.57Å; L183-L212 HydrophobicContact CG-CD1 4.4Å; L186-L212 HydrophobicContact CD2-CD2 4.03Å; Q208-L212 VanDerWaalsContact O-CB 3.27Å; Q208-L212 WeakPolarHBondContact O-CB 2.92Å; Q208-L212 PolarHBondContact O-N 2.86Å; L209-L212 WeakPolarHBondContact O-CB 3.47Å; L209-L212 PolarHBondContact O-N 2.84Å; L209-L212 VanDerWaalsContact O-N 3.1Å; Q210-L212 VanDerWaalsContact C-N 3.31Å; Q210-L212 PolarHBondContact O-N 3.07Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 3.48Å; L212-K215 PolarHBondContact O-N 3.44Å; L212-L216 HydrophobicContact CD1-CD1 3.66Å; L212-L216 HydrophobicContact CD1-CG 4.27Å; L212-L216 HydrophobicContact CD2-CD1 4.44Å; L212-L216 HydrophobicContact CG-CD1 3.68Å; L212-L216 WeakPolarHBondContact O-CB 3.4Å; L212-L216 WeakPolarHBondContact O-CD1 2.93Å; L212-L216 WeakPolarHBondContact O-CG 3.28Å; L212-L216 PolarHBondContact O-N 3.46Å; L212-I233 HydrophobicContact CD2-CD1 3.88Å; L212-V291 HydrophobicContact CD2-CG1 4.38Å; L212-F293 HydrophobicContact CD2-CZ 3.95Å
213E90Very high82.3Confident48 Ų4853.4 Ų53.422%0.22430%0.295CS..Hα-helixtrans-56.5-45.6175.4-71.5179.3-173.200111.6L209 Q210 K215 L216 T217 L289 Y384L209-E213 WeakPolarHBondContact O-CG 3.21Å; L209-E213 PolarHBondContact O-N 2.96Å; Q210-E213 PolarHBondContact O-N 3.42Å; E213-K215 PolarHBondContact O-N 2.85Å; E213-L216 PolarHBondContact O-N 3.19Å; E213-T217 WeakPolarHBondContact O-CB 3.26Å; E213-T217 VanDerWaalsContact O-CG2 3.25Å; E213-T217 WeakPolarHBondContact O-CG2 3.22Å; E213-T217 PolarHBondContact O-N 2.91Å; E213-T217 PolarHBondContact O-OG1 3.4Å; E213-L289 HydrophobicContact CB-CD2 4.45Å; E213-L289 HydrophobicContact CG-CD2 4.07Å; E213-Y384 WeakPolarHBondContact OE1-CE2 3.4Å; E213-Y384 PolarHBondContact OE1-OH 3.18Å
214S88.4Confident83.3Confident63 Ų6355.8 Ų55.844%0.44130%0.302SS..Hα-helixtrans-62.5-42.4179.374.10000112.5Q210 S211 L212 T217 S218Q210-S214 WeakPolarHBondContact O-CB 3.33Å; Q210-S214 PolarHBondContact O-N 2.86Å; Q210-S214 PolarHBondContact O-OG 2.64Å; S211-S214 PolarHBondContact O-N 3.37Å; S211-S214 PolarHBondContact O-OG 2.86Å; L212-S214 VanDerWaalsContact C-N 3.33Å; L212-S214 PolarHBondContact O-N 3.48Å; S214-T217 PolarHBondContact O-OG1 3.35Å; S214-T217 VanDerWaalsContact O-OG1 3.08Å; S214-S218 WeakPolarHBondContact O-CB 3.3Å; S214-S218 PolarHBondContact O-N 2.96Å; S214-S218 VanDerWaalsContact O-N 3.15Å; S214-S218 PolarHBondContact O-OG 3.07Å
215K88.3Confident84.1Confident53 Ų5358.2 Ų58.223%0.2331%0.31CS..Hα-helixtrans-68-46.6179.1-71.3-179.8174.2-175.40111.2V174 L179 D182 S211 L212 E213 T217 S218 V219V174-K215 HydrophobicContact CG2-CG 4.38Å; L179-K215 HydrophobicContact CD1-CB 3.89Å; D182-K215 IonicContact OD2-NZ 2.82Å; D182-K215 PolarHBondContact OD2-NZ 3.16Å; S211-K215 WeakPolarHBondContact O-CG 3.17Å; S211-K215 PolarHBondContact O-N 2.95Å; S211-K215 VanDerWaalsContact O-N 3.1Å; L212-K215 PolarHBondContact O-N 3.44Å; E213-K215 PolarHBondContact O-N 2.85Å; K215-T217 VanDerWaalsContact C-N 3.32Å; K215-T217 PolarHBondContact O-N 2.93Å; K215-S218 PolarHBondContact O-N 2.62Å; K215-S218 VanDerWaalsContact O-N 3.16Å; K215-S218 PolarHBondContact O-OG 3.09Å; K215-V219 PolarHBondContact O-N 3.08Å
216L89Confident84.7Confident0 Ų057.6 Ų57.60%030%0.303CS..Hα-helixtrans-61.4-38.9177.5-77159.3000112.4L179 L212 E213 S218 V219 F228 A235 V237 L289 V291L179-L216 HydrophobicContact CD1-CD2 4.38Å; L179-L216 HydrophobicContact CD1-CG 4.27Å; L179-L216 HydrophobicContact CD2-CD2 3.86Å; L179-L216 HydrophobicContact CD2-CG 4.35Å; L212-L216 HydrophobicContact CD1-CD1 3.66Å; L212-L216 HydrophobicContact CD1-CG 4.27Å; L212-L216 HydrophobicContact CD2-CD1 4.44Å; L212-L216 HydrophobicContact CG-CD1 3.68Å; L212-L216 WeakPolarHBondContact O-CB 3.4Å; L212-L216 WeakPolarHBondContact O-CD1 2.93Å; L212-L216 WeakPolarHBondContact O-CG 3.28Å; L212-L216 PolarHBondContact O-N 3.46Å; E213-L216 PolarHBondContact O-N 3.19Å; L216-S218 VanDerWaalsContact C-N 3.3Å; L216-S218 PolarHBondContact O-N 3.11Å; L216-V219 VanDerWaalsContact O-CG1 3.24Å; L216-V219 WeakPolarHBondContact O-CG1 3.48Å; L216-F228 HydrophobicContact CD2-CD2 3.93Å; L216-F228 HydrophobicContact CD2-CE2 4.15Å; L216-A235 HydrophobicContact CD1-CB 3.91Å; L216-A235 HydrophobicContact CD2-CB 3.77Å; L216-V237 HydrophobicContact CB-CG2 4.12Å; L216-V237 HydrophobicContact CD2-CG2 3.82Å; L216-L289 HydrophobicContact CB-CD1 4.05Å; L216-L289 HydrophobicContact CB-CD2 4.28Å; L216-L289 HydrophobicContact CD1-CD1 3.67Å; L216-L289 HydrophobicContact CD1-CD2 3.94Å; L216-L289 HydrophobicContact CD1-CG 4.46Å; L216-L289 HydrophobicContact CD2-CD1 4.35Å; L216-L289 HydrophobicContact CG-CD1 4.25Å; L216-V291 HydrophobicContact CD1-CG2 4.18Å
217T86.1Confident85.1Confident17 Ų1758.3 Ų58.310%0.10431%0.309CS..Hα-helixtrans-76-15.7178.754.60000113.7E213 S214 K215 R287 Q318E213-T217 WeakPolarHBondContact O-CB 3.26Å; E213-T217 VanDerWaalsContact O-CG2 3.25Å; E213-T217 WeakPolarHBondContact O-CG2 3.22Å; E213-T217 PolarHBondContact O-N 2.91Å; E213-T217 PolarHBondContact O-OG1 3.4Å; S214-T217 PolarHBondContact O-OG1 3.35Å; S214-T217 VanDerWaalsContact O-OG1 3.08Å; K215-T217 VanDerWaalsContact C-N 3.32Å; K215-T217 PolarHBondContact O-N 2.93Å; T217-R287 VanDerWaalsContact O-CD 3.31Å; T217-R287 WeakPolarHBondContact O-CD 3.5Å; T217-R287 PolarHBondContact O-NH1 3.49Å; T217-Q318 HydrophobicContact CG2-CB 3.88Å; T217-Q318 HydrophobicContact CG2-CG 3.9Å; T217-Q318 PolarHBondContact O-NE2 3.21Å
218S85.6Confident85.5Confident48 Ų4854 Ų5434%0.33629%0.289SS..Hα-helixtrans-95.7-12.7179.472.20000115V174 S214 K215 L216V174-S218 WeakPolarHBondContact CG2-OG 3.32Å; S214-S218 WeakPolarHBondContact O-CB 3.3Å; S214-S218 PolarHBondContact O-N 2.96Å; S214-S218 VanDerWaalsContact O-N 3.15Å; S214-S218 PolarHBondContact O-OG 3.07Å; K215-S218 PolarHBondContact O-N 2.62Å; K215-S218 VanDerWaalsContact O-N 3.16Å; K215-S218 PolarHBondContact O-OG 3.09Å; L216-S218 VanDerWaalsContact C-N 3.3Å; L216-S218 PolarHBondContact O-N 3.11Å
219V85Confident85.6Confident0 Ų054.4 Ų54.40%029%0.29CS..  trans-66141.7-173.274.30000113M176 L179 K215 L216 F221 F228 R287M176-V219 HydrophobicContact CB-CG2 4.37Å; M176-V219 HydrophobicContact CG-CG2 3.47Å; M176-V219 VanDerWaalsContact CG-CG2 3.47Å; L179-V219 HydrophobicContact CD2-CB 4.11Å; L179-V219 HydrophobicContact CD2-CG1 4.42Å; L179-V219 HydrophobicContact CD2-CG2 4.1Å; K215-V219 PolarHBondContact O-N 3.08Å; L216-V219 VanDerWaalsContact O-CG1 3.24Å; L216-V219 WeakPolarHBondContact O-CG1 3.48Å; V219-F221 HydrophobicContact CG1-CD1 3.93Å; V219-F221 HydrophobicContact CG1-CE1 4.18Å; V219-F228 HydrophobicContact CG1-CE2 4.46Å; V219-F228 HydrophobicContact CG1-CZ 4.46Å; V219-F228 HydrophobicContact CG2-CZ 4.2Å; V219-R287 VanDerWaalsContact O-CZ 3.28Å; V219-R287 PolarHBondContact O-NH1 3.07Å; V219-R287 PolarHBondContact O-NH2 3.18Å
220R81.8Confident85.7Confident181 Ų18154.6 Ų54.668%0.68329%0.291SS*.  trans-101130174.9-70.5-177.7179170.20.1110M176M176-R220 VanDerWaalsContact SD-O 3.37Å
221F82.5Confident85.7Confident21 Ų2153 Ų539%0.09229%0.286CS..  trans-145.8154.6177.857.8-85.9000110.5M176 V219 V226 V237 K239M176-F221 HydrophobicContact SD-CB 4.23Å; V219-F221 HydrophobicContact CG1-CD1 3.93Å; V219-F221 HydrophobicContact CG1-CE1 4.18Å; F221-V226 HydrophobicContact CB-CB 4.16Å; F221-V226 HydrophobicContact CB-CG1 4.2Å; F221-V226 HydrophobicContact CD1-CB 4.24Å; F221-V226 HydrophobicContact CD1-CG1 3.46Å; F221-V226 VanDerWaalsContact CD1-CG1 3.46Å; F221-V226 HydrophobicContact CD2-CB 3.85Å; F221-V226 HydrophobicContact CD2-CG1 3.89Å; F221-V226 HydrophobicContact CE1-CG1 3.62Å; F221-V226 HydrophobicContact CE2-CB 4.26Å; F221-V226 HydrophobicContact CE2-CG1 4.05Å; F221-V226 HydrophobicContact CG-CB 3.83Å; F221-V226 HydrophobicContact CG-CG1 3.58Å; F221-V226 HydrophobicContact CZ-CG1 3.91Å; F221-V237 HydrophobicContact CE1-CB 4.37Å; F221-V237 HydrophobicContact CE1-CG1 4.01Å; F221-V237 HydrophobicContact CZ-CB 4.48Å; F221-V237 HydrophobicContact CZ-CG1 4.18Å; F221-K239 HydrophobicContact CE2-CD 4.27Å; F221-K239 HydrophobicContact CE2-CG 4.05Å; F221-K239 HydrophobicContact CZ-CD 4.37Å; F221-K239 HydrophobicContact CZ-CG 3.78Å; F221-K239 PolarHBondContact O-NZ 3.41Å
222M76Confident85.8Confident185 Ų18555.1 Ų55.191%0.91129%0.286SS*.SBendtrans-82.9147.4172.7-62.1-163.474.500110.3
223G80Confident85.9Confident48 Ų4854.5 Ų54.550%0.49528%0.283SS..SBendtrans84.4-171-176.200000114.4K239G223-K239 WeakPolarHBondContact O-CD 3.24Å; G223-K239 WeakPolarHBondContact O-CE 3.32Å; G223-K239 PolarHBondContact O-NZ 2.86Å
224D83.7Confident86Confident91 Ų9154.4 Ų54.449%0.48728%0.284SS..SBendtrans-93.7-18.3-172.7-63.5-38.1000113.7W238 K239 Q241D224-W238 CarbonylContact O-C 3.55Å; D224-W238 WeakPolarHBondContact O-CA 3.44Å; D224-K239 PolarHBondContact O-N 3.33Å; D224-Q241 PolarHBondContact OD1-NE2 3.48Å; D224-Q241 PolarHBondContact OD2-NE2 3.49Å
225M86.2Confident86.2Confident97 Ų9751.4 Ų51.448%0.47826%0.263SS..EExtended strand (participates in β ladder)trans-147.7148.6-178.2-165.7-161-40.200111.7T236 V237 W238M225-T236 HydrophobicContact CG-CG2 3.57Å; M225-T236 HydrophobicContact SD-CG2 3.33Å; M225-T236 WeakPolarHBondContact SD-CG2 3.38Å; M225-V237 CarbonylContact C-O 3.41Å; M225-V237 VanDerWaalsContact CA-O 3.22Å; M225-V237 WeakPolarHBondContact CA-O 3.34Å; M225-V237 WeakPolarHBondContact CG-O 3.25Å; M225-W238 HydrophobicContact CB-CG 4.39Å; M225-W238 HydrophobicContact CE-CZ2 4.14Å; M225-W238 HydrophobicContact CG-CD2 3.88Å; M225-W238 HydrophobicContact CG-CG 3.83Å; M225-W238 HydrophobicContact CG-CZ2 4.38Å; M225-W238 HydrophobicContact SD-CD2 4.19Å; M225-W238 HydrophobicContact SD-CZ2 3.63Å; M225-W238 PolarHBondContact SD-NE1 3.03Å; M225-W238 VanDerWaalsContact SD-NE1 3.38Å
226V87Confident86.3Confident16 Ų1650 Ų5010%0.09726%0.259CS..EExtended strand (participates in β ladder)trans-135.8139.9168.263.30000110M176 F221 F228 T236 V237M176-V226 HydrophobicContact CE-CG2 3.94Å; F221-V226 HydrophobicContact CB-CB 4.16Å; F221-V226 HydrophobicContact CB-CG1 4.2Å; F221-V226 HydrophobicContact CD1-CB 4.24Å; F221-V226 HydrophobicContact CD1-CG1 3.46Å; F221-V226 VanDerWaalsContact CD1-CG1 3.46Å; F221-V226 HydrophobicContact CD2-CB 3.85Å; F221-V226 HydrophobicContact CD2-CG1 3.89Å; F221-V226 HydrophobicContact CE1-CG1 3.62Å; F221-V226 HydrophobicContact CE2-CB 4.26Å; F221-V226 HydrophobicContact CE2-CG1 4.05Å; F221-V226 HydrophobicContact CG-CB 3.83Å; F221-V226 HydrophobicContact CG-CG1 3.58Å; F221-V226 HydrophobicContact CZ-CG1 3.91Å; V226-F228 HydrophobicContact CG1-CE2 3.72Å; V226-F228 HydrophobicContact CG1-CZ 4.24Å; V226-F228 HydrophobicContact CG2-CE2 4.03Å; V226-F228 HydrophobicContact CG2-CZ 4.04Å; V226-T236 WeakPolarHBondContact O-CA 3.31Å; V226-V237 HydrophobicContact CG1-CB 4.06Å; V226-V237 PolarHBondContact N-O 3.39Å; V226-V237 PolarHBondContact O-N 3.02Å
227S87.7Confident86.4Confident46 Ų4650 Ų5032%0.32226%0.259SS..EExtended strand (participates in β ladder)trans-116.1139.117460.70000111.4A235S227-A235 CarbonylContact C-O 3.57Å; S227-A235 WeakPolarHBondContact CA-O 3.37Å
228F88.5Confident86.5Confident0 Ų050.5 Ų50.50%026%0.259CS..EExtended strand (participates in β ladder)trans-117.899.6175.7-60.7-90.2000107.9W143 M176 L179 K180 L183 L216 V219 V226 N234 A235W143-F228 HydrophobicContact CZ3-CD1 4.12Å; W143-F228 HydrophobicContact CZ3-CE1 4.16Å; M176-F228 HydrophobicContact CB-CE1 4.49Å; M176-F228 HydrophobicContact CE-CE1 4.44Å; M176-F228 HydrophobicContact CE-CZ 4.38Å; L179-F228 HydrophobicContact CD2-CD2 4.39Å; L179-F228 HydrophobicContact CD2-CE1 4Å; L179-F228 HydrophobicContact CD2-CE2 3.84Å; L179-F228 HydrophobicContact CD2-CZ 3.64Å; L179-F228 HydrophobicContact CG-CE1 4.37Å; L179-F228 HydrophobicContact CG-CZ 4.49Å; K180-F228 HydrophobicContact CD-CD1 4.26Å; L183-F228 HydrophobicContact CD1-CB 3.36Å; L183-F228 HydrophobicContact CD1-CD1 4.23Å; L183-F228 HydrophobicContact CD1-CG 3.84Å; L216-F228 HydrophobicContact CD2-CD2 3.93Å; L216-F228 HydrophobicContact CD2-CE2 4.15Å; V219-F228 HydrophobicContact CG1-CE2 4.46Å; V219-F228 HydrophobicContact CG1-CZ 4.46Å; V219-F228 HydrophobicContact CG2-CZ 4.2Å; V226-F228 HydrophobicContact CG1-CE2 3.72Å; V226-F228 HydrophobicContact CG1-CZ 4.24Å; V226-F228 HydrophobicContact CG2-CE2 4.03Å; V226-F228 HydrophobicContact CG2-CZ 4.04Å; F228-N234 WeakPolarHBondContact O-CA 3.42Å; F228-A235 HydrophobicContact CB-CB 4.5Å; F228-A235 PolarHBondContact N-O 3.33Å; F228-A235 PolarHBondContact O-N 3.48Å
229E85.6Confident86.5Confident56 Ų5650.3 Ų50.326%0.26225%0.252SS..EExtended strand (participates in β ladder)trans-99.5122.2-176.9-39.4-175.5164.200110.5R29 K180 N234 R254R29-E229 IonicContact NE-OE2 3.84Å; R29-E229 PolarHBondContact NE-OE2 2.79Å; R29-E229 VanDerWaalsContact NH2-CA 3.33Å; R29-E229 PolarHBondContact NH2-O 3.47Å; R29-E229 IonicContact NH2-OE2 3.7Å; K180-E229 PolarHBondContact NZ-O 3.48Å; E229-N234 VanDerWaalsContact CA-OD1 3.27Å; E229-N234 WeakPolarHBondContact CA-OD1 3.22Å; E229-N234 WeakPolarHBondContact CB-OD1 3.45Å; E229-R254 IonicContact OE1-NH1 2.91Å; E229-R254 PolarHBondContact OE1-NH1 3.37Å; E229-R254 IonicContact OE2-NH1 3.8Å
230E88.4Confident86.3Confident5 Ų551.1 Ų51.12%0.02326%0.257CS..  trans-124.7172.1167.8-63.9-62.213500110.6R29 R96 K180 L183 R232 I233 N234R29-E230 PolarHBondContact NH1-O 2.89Å; R29-E230 PolarHBondContact NH2-O 3.02Å; R96-E230 IonicContact CZ-OE1 3.26Å; R96-E230 IonicContact CZ-OE2 2.94Å; R96-E230 IonicContact NH1-OE2 2.77Å; R96-E230 PolarHBondContact NH1-OE2 3.41Å; R96-E230 VanDerWaalsContact NH2-CD 3.3Å; R96-E230 IonicContact NH2-OE1 3.42Å; R96-E230 PolarHBondContact NH2-OE1 3.36Å; R96-E230 IonicContact NH2-OE2 3.66Å; R96-E230 PolarHBondContact NH2-OE2 3.43Å; K180-E230 VanDerWaalsContact CD-OE1 3.28Å; K180-E230 WeakPolarHBondContact CD-OE1 3.44Å; K180-E230 WeakPolarHBondContact CE-OE1 3.45Å; K180-E230 IonicContact NZ-OE1 3.98Å; K180-E230 PolarHBondContact NZ-OE1 3.49Å; L183-E230 HydrophobicContact CB-CG 4.02Å; E230-R232 PolarHBondContact O-N 2.9Å; E230-I233 CarbonylContact C-O 3.47Å; E230-I233 WeakPolarHBondContact CA-O 3.14Å; E230-I233 HydrophobicContact CB-CG2 3.75Å; E230-I233 WeakPolarHBondContact CB-O 3.24Å; E230-I233 HydrophobicContact CG-CG2 4.32Å; E230-I233 PolarHBondContact N-O 2.92Å; E230-N234 PolarHBondContact N-OD1 3.34Å; E230-N234 PolarHBondContact O-OD1 2.93Å; E230-N234 VanDerWaalsContact O-OD1 3.1Å
231D85.3Confident85.9Confident73 Ų7346.4 Ų46.439%0.3924%0.242SC..SBendtrans-62.5-35.3-170.8-68.4-19.7000115.9R29 H97 K191R29-D231 IonicContact NH1-OD1 3.05Å; R29-D231 PolarHBondContact NH1-OD1 3.39Å; H97-D231 IonicContact CD2-OD1 3.46Å; H97-D231 PolarHBondContact CD2-OD1 2.92Å; H97-D231 IonicContact CD2-OD2 3.59Å; H97-D231 IonicContact NE2-OD1 2.92Å; K191-D231 VanDerWaalsContact CE-CB 3.48Å; K191-D231 WeakPolarHBondContact CE-OD2 3.43Å; K191-D231 IonicContact NZ-OD2 3.74Å; K191-D231 PolarHBondContact NZ-OD2 3.39Å
232R87.6Confident85.1Confident95 Ų9550.5 Ų50.536%0.35827%0.271SS..SBendtrans-115.7-0.1-178.9-67-65.6-171.6167.9-3.9113.2S187 L190 K191 E230 S294S187-R232 PolarHBondContact OG-N 3.3Å; S187-R232 VanDerWaalsContact OG-N 3.16Å; L190-R232 HydrophobicContact CB-CB 4.02Å; L190-R232 HydrophobicContact CB-CG 4.46Å; L190-R232 HydrophobicContact CD1-CB 4.21Å; K191-R232 HydrophobicContact CG-CG 3.59Å; E230-R232 PolarHBondContact O-N 2.9Å; R232-S294 WeakPolarHBondContact CD-O 3.37Å; R232-S294 PolarHBondContact NH1-O 3.36Å; R232-S294 PolarHBondContact O-N 3.29Å
233I91.2Very high84.5Confident1 Ų145.5 Ų45.51%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-148.4127.4-176.4-172.3170.7000110.2L183 L186 L190 L212 E230 V291 D292 F293L183-I233 HydrophobicContact CD2-CD1 3.66Å; L183-I233 HydrophobicContact CD2-CG1 4.26Å; L183-I233 HydrophobicContact CD2-CG2 4.27Å; L186-I233 HydrophobicContact CD2-CD1 3.74Å; L190-I233 HydrophobicContact CD1-CB 4.45Å; L212-I233 HydrophobicContact CD2-CD1 3.88Å; E230-I233 CarbonylContact C-O 3.47Å; E230-I233 WeakPolarHBondContact CA-O 3.14Å; E230-I233 HydrophobicContact CB-CG2 3.75Å; E230-I233 WeakPolarHBondContact CB-O 3.24Å; E230-I233 HydrophobicContact CG-CG2 4.32Å; E230-I233 PolarHBondContact N-O 2.92Å; I233-V291 HydrophobicContact CD1-CG1 3.99Å; I233-V291 HydrophobicContact CG1-CG1 3.89Å; I233-D292 CarbonylContact C-O 3.46Å; I233-D292 VanDerWaalsContact CA-O 3.28Å; I233-D292 WeakPolarHBondContact CA-O 3.46Å; I233-F293 HydrophobicContact CB-CD1 4.43Å; I233-F293 HydrophobicContact CD1-CD1 3.93Å; I233-F293 HydrophobicContact CD1-CE1 3.36Å; I233-F293 HydrophobicContact CD1-CZ 3.89Å; I233-F293 HydrophobicContact CG1-CD1 4.07Å; I233-F293 HydrophobicContact CG1-CE1 3.99Å
234N91.5Very high83.7Confident46 Ų4644.7 Ų44.725%0.24624%0.24CC..EExtended strand (participates in β ladder)trans-123.5122.4172.1-64.6-33.2000108.3R29 F228 E229 E230 V291 D292R29-N234 PolarHBondContact NH2-OD1 3.04Å; R29-N234 VanDerWaalsContact NH2-OD1 3.13Å; F228-N234 WeakPolarHBondContact O-CA 3.42Å; E229-N234 VanDerWaalsContact CA-OD1 3.27Å; E229-N234 WeakPolarHBondContact CA-OD1 3.22Å; E229-N234 WeakPolarHBondContact CB-OD1 3.45Å; E230-N234 PolarHBondContact N-OD1 3.34Å; E230-N234 PolarHBondContact O-OD1 2.93Å; E230-N234 VanDerWaalsContact O-OD1 3.1Å; N234-V291 CarbonylContact O-C 3.55Å; N234-V291 WeakPolarHBondContact O-CA 3.29Å; N234-D292 HydrophobicContact CB-CB 4.2Å; N234-D292 PolarHBondContact N-O 3.41Å; N234-D292 PolarHBondContact O-N 2.95Å
235A92.7Very high82.7Confident0 Ų041.2 Ų41.20%023%0.225CC..EExtended strand (participates in β ladder)trans-119.9128.5179.900000110.3L216 S227 F228 L290 V291L216-A235 HydrophobicContact CD1-CB 3.91Å; L216-A235 HydrophobicContact CD2-CB 3.77Å; S227-A235 CarbonylContact C-O 3.57Å; S227-A235 WeakPolarHBondContact CA-O 3.37Å; F228-A235 HydrophobicContact CB-CB 4.5Å; F228-A235 PolarHBondContact N-O 3.33Å; F228-A235 PolarHBondContact O-N 3.48Å; A235-L290 CarbonylContact C-O 3.51Å; A235-L290 WeakPolarHBondContact CA-O 3.27Å; A235-V291 HydrophobicContact CB-CG1 4.47Å; A235-V291 HydrophobicContact CB-CG2 4.32Å
236T91.3Very high81.8Confident24 Ų2442.6 Ų42.615%0.14723%0.234CC..EExtended strand (participates in β ladder)trans-123.7132.2179.1-53.60000109.7M225 V226 W238 L290M225-T236 HydrophobicContact CG-CG2 3.57Å; M225-T236 HydrophobicContact SD-CG2 3.33Å; M225-T236 WeakPolarHBondContact SD-CG2 3.38Å; V226-T236 WeakPolarHBondContact O-CA 3.31Å; T236-W238 VanDerWaalsContact CB-CZ3 3.47Å; T236-W238 HydrophobicContact CG2-CD2 4.17Å; T236-W238 HydrophobicContact CG2-CE3 3.94Å; T236-W238 HydrophobicContact CG2-CH2 3.2Å; T236-W238 HydrophobicContact CG2-CZ2 3.46Å; T236-W238 VanDerWaalsContact CG2-CZ2 3.46Å; T236-W238 HydrophobicContact CG2-CZ3 3.47Å; T236-W238 VanDerWaalsContact CG2-CZ3 3.47Å; T236-W238 WeakPolarHBondContact O-CZ3 3.44Å; T236-L290 PolarHBondContact N-O 3.45Å; T236-L290 PolarHBondContact O-N 3.4Å
237V91Very high81.5Confident1 Ų149.1 Ų49.11%0.00626%0.263CS..EExtended strand (participates in β ladder)trans-120126.9-177.5-174.80000108.9L216 F221 M225 V226 R287 L288 L289L216-V237 HydrophobicContact CB-CG2 4.12Å; L216-V237 HydrophobicContact CD2-CG2 3.82Å; F221-V237 HydrophobicContact CE1-CB 4.37Å; F221-V237 HydrophobicContact CE1-CG1 4.01Å; F221-V237 HydrophobicContact CZ-CB 4.48Å; F221-V237 HydrophobicContact CZ-CG1 4.18Å; M225-V237 CarbonylContact C-O 3.41Å; M225-V237 VanDerWaalsContact CA-O 3.22Å; M225-V237 WeakPolarHBondContact CA-O 3.34Å; M225-V237 WeakPolarHBondContact CG-O 3.25Å; V226-V237 HydrophobicContact CG1-CB 4.06Å; V226-V237 PolarHBondContact N-O 3.39Å; V226-V237 PolarHBondContact O-N 3.02Å; V237-R287 HydrophobicContact CG1-CB 4.28Å; V237-L288 WeakPolarHBondContact CA-O 3.41Å; V237-L289 HydrophobicContact CG2-CD1 3.91Å
238W88.3Confident81.3Confident26 Ų2650.1 Ų50.110%0.09827%0.265CS..EExtended strand (participates in β ladder)trans-110.2142.3174.2-65.6-107.9000110.8D224 M225 T236 I251 R287 L288 L290D224-W238 CarbonylContact O-C 3.55Å; D224-W238 WeakPolarHBondContact O-CA 3.44Å; M225-W238 HydrophobicContact CB-CG 4.39Å; M225-W238 HydrophobicContact CE-CZ2 4.14Å; M225-W238 HydrophobicContact CG-CD2 3.88Å; M225-W238 HydrophobicContact CG-CG 3.83Å; M225-W238 HydrophobicContact CG-CZ2 4.38Å; M225-W238 HydrophobicContact SD-CD2 4.19Å; M225-W238 HydrophobicContact SD-CZ2 3.63Å; M225-W238 PolarHBondContact SD-NE1 3.03Å; M225-W238 VanDerWaalsContact SD-NE1 3.38Å; T236-W238 VanDerWaalsContact CB-CZ3 3.47Å; T236-W238 HydrophobicContact CG2-CD2 4.17Å; T236-W238 HydrophobicContact CG2-CE3 3.94Å; T236-W238 HydrophobicContact CG2-CH2 3.2Å; T236-W238 HydrophobicContact CG2-CZ2 3.46Å; T236-W238 VanDerWaalsContact CG2-CZ2 3.46Å; T236-W238 HydrophobicContact CG2-CZ3 3.47Å; T236-W238 VanDerWaalsContact CG2-CZ3 3.47Å; T236-W238 WeakPolarHBondContact O-CZ3 3.44Å; W238-I251 HydrophobicContact CH2-CD1 3.67Å; W238-I251 HydrophobicContact CZ2-CD1 3.7Å; W238-I251 HydrophobicContact CZ2-CG1 4.14Å; W238-I251 HydrophobicContact CZ3-CD1 4.39Å; W238-R287 WeakPolarHBondContact O-CA 3.39Å; W238-L288 HydrophobicContact CB-CB 4.29Å; W238-L288 HydrophobicContact CD2-CD2 4.43Å; W238-L288 HydrophobicContact CE3-CD2 4.21Å; W238-L288 HydrophobicContact CE3-CG 4.22Å; W238-L288 PolarHBondContact N-O 3.07Å; W238-L288 PolarHBondContact O-N 3.37Å; W238-L290 HydrophobicContact CH2-CB 3.71Å; W238-L290 HydrophobicContact CH2-CD2 3.97Å; W238-L290 HydrophobicContact CZ3-CB 3.42Å; W238-L290 VanDerWaalsContact CZ3-CB 3.42Å
239K86.1Confident81.2Confident44 Ų4452.4 Ų52.419%0.19128%0.277CS..EExtended strand (participates in β ladder)trans-83120.1160.4-63.5178.7-171.6158.40108.2F221 G223 D224 Q241F221-K239 HydrophobicContact CE2-CD 4.27Å; F221-K239 HydrophobicContact CE2-CG 4.05Å; F221-K239 HydrophobicContact CZ-CD 4.37Å; F221-K239 HydrophobicContact CZ-CG 3.78Å; F221-K239 PolarHBondContact O-NZ 3.41Å; G223-K239 WeakPolarHBondContact O-CD 3.24Å; G223-K239 WeakPolarHBondContact O-CE 3.32Å; G223-K239 PolarHBondContact O-NZ 2.86Å; D224-K239 PolarHBondContact O-N 3.33Å; K239-Q241 PolarHBondContact O-N 3.49Å
240L79.9Confident81.3Confident18 Ų1855.2 Ų55.29%0.09429%0.29CS..  trans-80102.7176.3-64.9170.2000108.7A244 F274 K286 L288 V317L240-A244 HydrophobicContact CD2-CB 4.47Å; L240-F274 HydrophobicContact CD1-CD1 4.11Å; L240-F274 HydrophobicContact CD1-CE1 4.28Å; L240-F274 HydrophobicContact CD2-CD1 3.55Å; L240-F274 HydrophobicContact CD2-CE1 3.36Å; L240-F274 HydrophobicContact CD2-CZ 4.27Å; L240-F274 HydrophobicContact CG-CD1 4.42Å; L240-F274 HydrophobicContact CG-CE1 4.47Å; L240-K286 VanDerWaalsContact CB-O 3.29Å; L240-K286 WeakPolarHBondContact CB-O 3.43Å; L240-K286 HydrophobicContact CD1-CB 4.14Å; L240-K286 PolarHBondContact N-O 2.94Å; L240-L288 HydrophobicContact CD1-CB 4.21Å; L240-L288 HydrophobicContact CD2-CB 4.09Å; L240-L288 HydrophobicContact CG-CB 4.2Å; L240-V317 HydrophobicContact CD1-CG1 4.41Å
241Q73.6Confident81.3Confident81 Ų8156 Ų5638%0.37929%0.294SS..  trans-66.8153172.5-66.8-175.5-4.600110.6D224 K239 T243 A244D224-Q241 PolarHBondContact OD1-NE2 3.48Å; D224-Q241 PolarHBondContact OD2-NE2 3.49Å; K239-Q241 PolarHBondContact O-N 3.49Å; Q241-T243 PolarHBondContact O-N 3.39Å; Q241-T243 PolarHBondContact OE1-OG1 3.32Å; Q241-A244 WeakPolarHBondContact O-CB 3.28Å; Q241-A244 PolarHBondContact O-N 2.94Å
242P65.1Low81.5Confident107 Ų10758.5 Ų58.570%0.69530%0.303SS*.THydrogen-bonded Turntrans-57.3-23.2177.5-24.533.5000114.3
243T64.8Low81.4Confident80 Ų8055 Ų5549%0.49129%0.293SS..THydrogen-bonded Turntrans-81.7-11.6177.2460000113.8Q241 G245 L246Q241-T243 PolarHBondContact O-N 3.39Å; Q241-T243 PolarHBondContact OE1-OG1 3.32Å; T243-G245 PolarHBondContact O-N 3.01Å; T243-L246 HydrophobicContact CG2-CD1 4.45Å; T243-L246 WeakPolarHBondContact O-CB 3.4Å; T243-L246 WeakPolarHBondContact O-CD1 3.36Å; T243-L246 WeakPolarHBondContact O-CG 3.4Å; T243-L246 PolarHBondContact O-N 3.48Å; T243-L246 VanDerWaalsContact O-N 3.08Å
244A63.4Low80.8Confident32 Ų3263.6 Ų63.626%0.26433%0.325SS..G310 helixtrans-59.3-21.6-177.500000113.5L240 Q241 L246 F274L240-A244 HydrophobicContact CD2-CB 4.47Å; Q241-A244 WeakPolarHBondContact O-CB 3.28Å; Q241-A244 PolarHBondContact O-N 2.94Å; A244-L246 PolarHBondContact O-N 3.28Å; A244-F274 HydrophobicContact CB-CB 4.33Å; A244-F274 HydrophobicContact CB-CG 4.26Å; A244-F274 WeakPolarHBondContact O-CD2 3.27Å
245G62.5Low80Confident17 Ų1768.4 Ų68.418%0.17535%0.346CS..G310 helixtrans-71.92.1175.100000116.3T243T243-G245 PolarHBondContact O-N 3.01Å
246L65.5Low79.1Confident126 Ų12671 Ų7166%0.6636%0.359SS*.G310 helixtrans-83.7-30.6-179.4-70.8166.4000113.4T243 A244T243-L246 HydrophobicContact CG2-CD1 4.45Å; T243-L246 WeakPolarHBondContact O-CB 3.4Å; T243-L246 WeakPolarHBondContact O-CD1 3.36Å; T243-L246 WeakPolarHBondContact O-CG 3.4Å; T243-L246 PolarHBondContact O-N 3.48Å; T243-L246 VanDerWaalsContact O-N 3.08Å; A244-L246 PolarHBondContact O-N 3.28Å
247Q80.9Confident77.9Confident153 Ų15375.6 Ų75.672%0.71538%0.378SS*.SBendtrans-141.6156.6-171.4-68.3-179.31.500111.6
248D84Confident76.2Confident67 Ų6783.9 Ų83.936%0.35842%0.417SS..  trans-72.6142.2173.7-57.7-27.6000109.6L268 L269 P270 R271D248-L268 HydrophobicContact CB-CD1 3.77Å; D248-L269 WeakPolarHBondContact CA-O 3.3Å; D248-P270 WeakPolarHBondContact OD1-CA 3.49Å; D248-R271 WeakPolarHBondContact OD1-CB 3.18Å; D248-R271 WeakPolarHBondContact OD1-CG 3.35Å; D248-R271 PolarHBondContact OD1-N 3.02Å
249L86.3Confident74.8Confident48 Ų4891.3 Ų91.325%0.25145%0.453SS..EExtended strand (participates in β ladder)trans-95.3112.7178.7179.564.4000109.2I251 L269 F274 L288L249-I251 HydrophobicContact CD2-CD1 4.2Å; L249-I251 HydrophobicContact CD2-CG1 4.47Å; L249-I251 HydrophobicContact CG-CD1 4.37Å; L249-I251 HydrophobicContact CG-CG1 4.14Å; L249-L269 HydrophobicContact CB-CB 4.23Å; L249-L269 HydrophobicContact CD2-CD1 4.17Å; L249-L269 PolarHBondContact N-O 3.42Å; L249-L269 PolarHBondContact O-N 3.4Å; L249-F274 HydrophobicContact CB-CE2 3.91Å; L249-F274 HydrophobicContact CB-CZ 3.99Å; L249-F274 HydrophobicContact CD2-CZ 4.09Å; L249-L288 HydrophobicContact CD2-CD2 3.61Å
250H88.5Confident74Confident116 Ų11690.7 Ų90.754%0.53745%0.454SS..EExtended strand (participates in β ladder)trans-96.9122.9174.9-67-105.6000110V267 L268H250-V267 WeakPolarHBondContact CA-O 3.41Å; H250-L268 WeakPolarHBondContact CE1-CD1 3.17Å; H250-L268 VanDerWaalsContact NE2-CD1 3.34Å; H250-L268 WeakPolarHBondContact NE2-CD1 3.18Å
251I88Confident73.9Confident20 Ų2093.5 Ų93.510%0.10347%0.466CS..EExtended strand (participates in β ladder)trans-118.8128176-54.8168.8000107.8W238 L249 S266 V267 L269 L290W238-I251 HydrophobicContact CH2-CD1 3.67Å; W238-I251 HydrophobicContact CZ2-CD1 3.7Å; W238-I251 HydrophobicContact CZ2-CG1 4.14Å; W238-I251 HydrophobicContact CZ3-CD1 4.39Å; L249-I251 HydrophobicContact CD2-CD1 4.2Å; L249-I251 HydrophobicContact CD2-CG1 4.47Å; L249-I251 HydrophobicContact CG-CD1 4.37Å; L249-I251 HydrophobicContact CG-CG1 4.14Å; I251-S266 CarbonylContact O-C 3.51Å; I251-S266 VanDerWaalsContact O-CA 3.22Å; I251-S266 WeakPolarHBondContact O-CA 3.42Å; I251-V267 HydrophobicContact CB-CB 4.26Å; I251-V267 PolarHBondContact N-O 3.14Å; I251-V267 PolarHBondContact O-N 2.85Å; I251-L269 HydrophobicContact CD1-CD1 4.3Å; I251-L290 HydrophobicContact CD1-CD2 4.17Å; I251-L290 HydrophobicContact CG2-CD2 3.85Å
252H88.7Confident74.4Confident126 Ų12689.8 Ų89.858%0.58345%0.449SS*.EExtended strand (participates in β ladder)trans-116.4134.3175.5-69.2-82.4000109.5S266H252-S266 WeakPolarHBondContact ND1-CB 3.34Å
253S86.6Confident75.4Confident21 Ų2186.6 Ų86.615%0.14743%0.425CS..PPolyproline II helixtrans-72.8161.3170.583.20000110.5E264 Y265S253-E264 WeakPolarHBondContact OG-CA 3.43Å; S253-Y265 VanDerWaalsContact CB-CZ 3.48Å; S253-Y265 WeakPolarHBondContact CB-O 3.47Å; S253-Y265 PolarHBondContact N-O 3.45Å; S253-Y265 PolarHBondContact OG-N 2.95Å; S253-Y265 PolarHBondContact OG-O 3.26Å
254R78.4Confident76.6Confident183 Ų18385.2 Ų85.269%0.69141%0.413SS*.PPolyproline II helixtrans-68.1150.8162.6-74-179.8162.8126.3-3.7109.4E229 E256E229-R254 IonicContact OE1-NH1 2.91Å; E229-R254 PolarHBondContact OE1-NH1 3.37Å; E229-R254 IonicContact OE2-NH1 3.8Å; R254-E256 PolarHBondContact O-N 3.49Å
255Q75.1Confident78Confident146 Ų14684.5 Ų84.568%0.68240%0.404SS*.PPolyproline II helixtrans-65.8122.7169.8-170.7174.70.100109M263Q255-M263 WeakPolarHBondContact CA-O 3.31Å
256E72.3Confident79.5Confident56 Ų5685 Ų8526%0.26241%0.405SS..PPolyproline II helixtrans-75.1171.4177.5-63.2-165.6177.200111.5R254 S260 M263 K311R254-E256 PolarHBondContact O-N 3.49Å; E256-S260 WeakPolarHBondContact OE2-CB 3.16Å; E256-S260 PolarHBondContact OE2-OG 3.32Å; E256-M263 PolarHBondContact N-O 3.17Å; E256-K311 IonicContact OE1-NZ 3.93Å; E256-K311 PolarHBondContact OE1-NZ 3.09Å
257E66.1Low80.9Confident119 Ų11979.1 Ų79.156%0.55637%0.374SS*.PPolyproline II helixtrans-65.4152177.7-55.7-163.4133.200111.5R26 Q259 S260R26-E257 IonicContact CZ-OE1 3.09Å; R26-E257 IonicContact NH2-OE1 3.51Å; R26-E257 PolarHBondContact NH2-OE1 2.98Å; E257-Q259 PolarHBondContact O-N 3.18Å; E257-S260 WeakPolarHBondContact O-CB 3.42Å; E257-S260 PolarHBondContact O-N 2.9Å; E257-S260 PolarHBondContact O-OG 3.25Å
258E57.1Low81.5Confident175 Ų17574.2 Ų74.282%0.81835%0.352SS*.THydrogen-bonded Turntrans-55.1-16.7-174.6-68-178.1163.100115.2Q336E258-Q336 PolarHBondContact O-NE2 3.23Å
259Q57.1Low81.9Confident183 Ų18371 Ų7186%0.85534%0.335SS*.THydrogen-bonded Turntrans-90.3-4.4178.9-66.1-177.4-1.200114.1E257E257-Q259 PolarHBondContact O-N 3.18Å
260S70Confident82.1Confident30 Ų3069 Ų6921%0.2133%0.325CS..  trans-80.3134-177-43.40000110.2E256 E257 I262 Q336E256-S260 WeakPolarHBondContact OE2-CB 3.16Å; E256-S260 PolarHBondContact OE2-OG 3.32Å; E257-S260 WeakPolarHBondContact O-CB 3.42Å; E257-S260 PolarHBondContact O-N 2.9Å; E257-S260 PolarHBondContact O-OG 3.25Å; S260-I262 VanDerWaalsContact CB-O 3.29Å; S260-I262 WeakPolarHBondContact CB-O 3.32Å; S260-I262 PolarHBondContact O-N 3.44Å; S260-Q336 PolarHBondContact O-NE2 3.39Å
261E78.2Confident81.9Confident78 Ų7869 Ų6936%0.36432%0.32SS..SBendtrans-62.9-35.7179.1-68.2-172.2161.300111.7L308 G309 H335 Q336 M389E261-L308 HydrophobicContact CB-CD1 4.42Å; E261-G309 WeakPolarHBondContact OE2-CA 3.45Å; E261-G309 PolarHBondContact OE2-N 2.94Å; E261-H335 CarbonylContact O-C 3.53Å; E261-H335 WeakPolarHBondContact O-CA 3.38Å; E261-H335 VanDerWaalsContact O-CB 3.27Å; E261-H335 WeakPolarHBondContact O-CB 3.19Å; E261-Q336 PolarHBondContact O-N 3.14Å; E261-M389 VanDerWaalsContact OE2-CE 3.24Å; E261-M389 WeakPolarHBondContact OE2-CE 3.29Å
262I84.4Confident81.6Confident3 Ų369.7 Ų69.72%0.01533%0.326CS..EExtended strand (participates in β ladder)trans-101.3121.6170.1-68.2167.2000107.6S260 L308 K311 F333 Q334 H335S260-I262 VanDerWaalsContact CB-O 3.29Å; S260-I262 WeakPolarHBondContact CB-O 3.32Å; S260-I262 PolarHBondContact O-N 3.44Å; I262-L308 HydrophobicContact CD1-CB 4.39Å; I262-L308 HydrophobicContact CD1-CD2 4.19Å; I262-L308 HydrophobicContact CD1-CG 3.91Å; I262-L308 WeakPolarHBondContact CD1-O 3.17Å; I262-L308 HydrophobicContact CG1-CD2 4.04Å; I262-L308 HydrophobicContact CG1-CG 3.85Å; I262-K311 HydrophobicContact CD1-CB 3.41Å; I262-K311 VanDerWaalsContact CD1-CB 3.41Å; I262-K311 HydrophobicContact CD1-CG 4Å; I262-F333 HydrophobicContact CD1-CD1 4.15Å; I262-F333 HydrophobicContact CG2-CD1 4.47Å; I262-Q334 CarbonylContact C-O 3.59Å; I262-Q334 WeakPolarHBondContact CA-O 3.45Å; I262-H335 HydrophobicContact CG1-CB 4.43Å
263M85.3Confident81.3Confident39 Ų3964 Ų6419%0.19230%0.299CS..EExtended strand (participates in β ladder)trans-84.9-40.2-179.2-65.1-62.2-59.200111.5Q255 E256 Q334 Q336Q255-M263 WeakPolarHBondContact CA-O 3.31Å; E256-M263 PolarHBondContact N-O 3.17Å; M263-Q334 PolarHBondContact N-O 2.95Å; M263-Q336 HydrophobicContact SD-CG 4.43Å
264E90.4Very high80.9Confident51 Ų5163.5 Ų63.524%0.23830%0.295CS..EExtended strand (participates in β ladder)trans-159.6162.4177.459.5169.1-127.500110.7S253 Q334S253-E264 WeakPolarHBondContact OG-CA 3.43Å; E264-Q334 VanDerWaalsContact CD-CD 3.48Å; E264-Q334 HydrophobicContact CG-CB 3.59Å; E264-Q334 HydrophobicContact CG-CG 3.59Å; E264-Q334 PolarHBondContact N-O 3.25Å; E264-Q334 PolarHBondContact O-N 3.41Å; E264-Q334 PolarHBondContact OE1-NE2 2.68Å
265Y92.9Very high80.6Confident18 Ų1860.2 Ų60.27%0.07129%0.287CS..EExtended strand (participates in β ladder)trans-133.6154.2169.366.6-92.5000111.6S253 V267 D292 K311 L313 T332S253-Y265 VanDerWaalsContact CB-CZ 3.48Å; S253-Y265 WeakPolarHBondContact CB-O 3.47Å; S253-Y265 PolarHBondContact N-O 3.45Å; S253-Y265 PolarHBondContact OG-N 2.95Å; S253-Y265 PolarHBondContact OG-O 3.26Å; Y265-V267 HydrophobicContact CD2-CG2 4.09Å; Y265-V267 HydrophobicContact CE2-CG2 4.28Å; Y265-D292 WeakPolarHBondContact CE1-OD2 3.36Å; Y265-D292 WeakPolarHBondContact OH-CB 3.35Å; Y265-D292 PolarHBondContact OH-OD2 3.31Å; Y265-K311 VanDerWaalsContact CE1-CE 3.49Å; Y265-L313 HydrophobicContact CD2-CD2 4.01Å; Y265-L313 HydrophobicContact CE2-CD1 3.84Å; Y265-L313 HydrophobicContact CE2-CD2 4.02Å; Y265-T332 CarbonylContact C-O 3.58Å; Y265-T332 WeakPolarHBondContact CA-O 3.32Å
266S94.3Very high80Confident27 Ų2762.9 Ų62.919%0.18929%0.291CS..EExtended strand (participates in β ladder)trans-129145.6169.267.30000111.2I251 H252 L331 T332I251-S266 CarbonylContact O-C 3.51Å; I251-S266 VanDerWaalsContact O-CA 3.22Å; I251-S266 WeakPolarHBondContact O-CA 3.42Å; H252-S266 WeakPolarHBondContact ND1-CB 3.34Å; S266-L331 CarbonylContact O-C 3.55Å; S266-L331 WeakPolarHBondContact O-CA 3.24Å; S266-T332 PolarHBondContact N-O 3.05Å; S266-T332 PolarHBondContact O-N 3.09Å; S266-T332 WeakPolarHBondContact OG-CB 3.48Å
267V94.2Very high79.5Confident2 Ų261.1 Ų61.11%0.01228%0.284CS..EExtended strand (participates in β ladder)trans-123.2125.5177.2-170.40000108.1H250 I251 Y265 L269 L290 L313 I315 V329 V330 L331H250-V267 WeakPolarHBondContact CA-O 3.41Å; I251-V267 HydrophobicContact CB-CB 4.26Å; I251-V267 PolarHBondContact N-O 3.14Å; I251-V267 PolarHBondContact O-N 2.85Å; Y265-V267 HydrophobicContact CD2-CG2 4.09Å; Y265-V267 HydrophobicContact CE2-CG2 4.28Å; V267-L269 HydrophobicContact CG1-CD2 4.26Å; V267-L269 HydrophobicContact CG1-CG 4.04Å; V267-L290 HydrophobicContact CG2-CD1 4.43Å; V267-L313 HydrophobicContact CG2-CD2 3.39Å; V267-I315 HydrophobicContact CG1-CD1 3.55Å; V267-V329 HydrophobicContact CG1-CG1 4.26Å; V267-V330 WeakPolarHBondContact CA-O 3.43Å; V267-L331 HydrophobicContact CG1-CD2 4.45Å; V267-L331 HydrophobicContact CG2-CD2 4.35Å
268L93.8Very high79.1Confident50 Ų5063.4 Ų63.426%0.26229%0.292SS..EExtended strand (participates in β ladder)trans-108.2111.6170.3179.260.3000109D248 H250 V330D248-L268 HydrophobicContact CB-CD1 3.77Å; H250-L268 WeakPolarHBondContact CE1-CD1 3.17Å; H250-L268 VanDerWaalsContact NE2-CD1 3.34Å; H250-L268 WeakPolarHBondContact NE2-CD1 3.18Å; L268-V330 HydrophobicContact CB-CB 3.99Å; L268-V330 HydrophobicContact CB-CG2 4.48Å; L268-V330 HydrophobicContact CD2-CB 4.4Å; L268-V330 HydrophobicContact CD2-CG2 4.14Å; L268-V330 PolarHBondContact N-O 3.46Å; L268-V330 PolarHBondContact O-N 2.87Å; L268-V330 VanDerWaalsContact O-N 3.09Å
269L91.8Very high79Confident0 Ų056.5 Ų56.50%027%0.268CS..EExtended strand (participates in β ladder)trans-100.2118.6173.5-65.8167.9000109.4D248 L249 I251 V267 L273 F274 L288 I315 V329 L382D248-L269 WeakPolarHBondContact CA-O 3.3Å; L249-L269 HydrophobicContact CB-CB 4.23Å; L249-L269 HydrophobicContact CD2-CD1 4.17Å; L249-L269 PolarHBondContact N-O 3.42Å; L249-L269 PolarHBondContact O-N 3.4Å; I251-L269 HydrophobicContact CD1-CD1 4.3Å; V267-L269 HydrophobicContact CG1-CD2 4.26Å; V267-L269 HydrophobicContact CG1-CG 4.04Å; L269-L273 HydrophobicContact CB-CD2 4.31Å; L269-L273 HydrophobicContact CD2-CD2 4.09Å; L269-F274 HydrophobicContact CB-CZ 4.19Å; L269-L288 HydrophobicContact CD1-CD1 4.18Å; L269-L288 HydrophobicContact CD1-CD2 3.51Å; L269-L288 HydrophobicContact CD1-CG 4.45Å; L269-I315 HydrophobicContact CD1-CG2 4.43Å; L269-I315 HydrophobicContact CD2-CD1 4.43Å; L269-I315 HydrophobicContact CD2-CG2 4.05Å; L269-V329 HydrophobicContact CD2-CB 4.46Å; L269-V329 HydrophobicContact CD2-CG1 3.69Å; L269-V329 HydrophobicContact CD2-CG2 3.91Å; L269-L382 HydrophobicContact CD2-CD2 3.99Å
270P90.2Very high78.8Confident6 Ų658.8 Ų58.84%0.03927%0.269CS..  trans-71.4146-176.229.1-34000111.5D248 T272 L273 E327D248-P270 WeakPolarHBondContact OD1-CA 3.49Å; P270-T272 PolarHBondContact O-N 3.4Å; P270-T272 VanDerWaalsContact O-N 3.13Å; P270-L273 WeakPolarHBondContact O-CB 3.2Å; P270-L273 PolarHBondContact O-N 2.83Å; P270-E327 HydrophobicContact CB-CB 3.9Å; P270-E327 WeakPolarHBondContact CB-OE2 3.42Å; P270-E327 HydrophobicContact CG-CB 4.16Å
271R85.1Confident78.2Confident116 Ų11664 Ų6444%0.43831%0.305SS..Hα-helixtrans-57-28178.664.4-171.5175.8176.1-3.3114.4D248 L273 F274 Q275D248-R271 WeakPolarHBondContact OD1-CB 3.18Å; D248-R271 WeakPolarHBondContact OD1-CG 3.35Å; D248-R271 PolarHBondContact OD1-N 3.02Å; R271-L273 PolarHBondContact O-N 3.31Å; R271-F274 PolarHBondContact O-N 2.88Å; R271-Q275 PolarHBondContact O-N 3.43Å
272T82.3Confident77.1Confident35 Ų3564.3 Ų64.322%0.21533%0.329CS..Hα-helixtrans-59.5-28.5176.846.80000112.1P270 F274 E327P270-T272 PolarHBondContact O-N 3.4Å; P270-T272 VanDerWaalsContact O-N 3.13Å; T272-F274 VanDerWaalsContact C-N 3.34Å; T272-F274 PolarHBondContact O-N 2.99Å; T272-E327 HydrophobicContact CG2-CG 4.46Å; T272-E327 WeakPolarHBondContact CG2-OE2 3.25Å; T272-E327 PolarHBondContact OG1-OE2 3.45Å
273L81.5Confident75.9Confident5 Ų570 Ų703%0.02636%0.356CS..Hα-helixtrans-58-46.8171.7-178.565.4000111.5L269 P270 R271 V322 L325 L382L269-L273 HydrophobicContact CB-CD2 4.31Å; L269-L273 HydrophobicContact CD2-CD2 4.09Å; P270-L273 WeakPolarHBondContact O-CB 3.2Å; P270-L273 PolarHBondContact O-N 2.83Å; R271-L273 PolarHBondContact O-N 3.31Å; L273-V322 HydrophobicContact CD1-CB 4.35Å; L273-V322 HydrophobicContact CD1-CG1 3.59Å; L273-V322 HydrophobicContact CD1-CG2 4.05Å; L273-L325 HydrophobicContact CD1-CD2 4.23Å; L273-L382 HydrophobicContact CD1-CD1 3.69Å; L273-L382 HydrophobicContact CD1-CG 4.47Å; L273-L382 HydrophobicContact CD2-CD1 3.88Å; L273-L382 HydrophobicContact CG-CD1 4.42Å
274F78Confident74.8Confident12 Ų1272.3 Ų72.35%0.05338%0.381CS..Hα-helixtrans-80.3-24.9-174.1-52.9-56.2000112.8L240 A244 L249 L269 R271 T272 R276 T277 L288L240-F274 HydrophobicContact CD1-CD1 4.11Å; L240-F274 HydrophobicContact CD1-CE1 4.28Å; L240-F274 HydrophobicContact CD2-CD1 3.55Å; L240-F274 HydrophobicContact CD2-CE1 3.36Å; L240-F274 HydrophobicContact CD2-CZ 4.27Å; L240-F274 HydrophobicContact CG-CD1 4.42Å; L240-F274 HydrophobicContact CG-CE1 4.47Å; A244-F274 HydrophobicContact CB-CB 4.33Å; A244-F274 HydrophobicContact CB-CG 4.26Å; A244-F274 WeakPolarHBondContact O-CD2 3.27Å; L249-F274 HydrophobicContact CB-CE2 3.91Å; L249-F274 HydrophobicContact CB-CZ 3.99Å; L249-F274 HydrophobicContact CD2-CZ 4.09Å; L269-F274 HydrophobicContact CB-CZ 4.19Å; R271-F274 PolarHBondContact O-N 2.88Å; T272-F274 VanDerWaalsContact C-N 3.34Å; T272-F274 PolarHBondContact O-N 2.99Å; F274-R276 PolarHBondContact O-N 2.9Å; F274-T277 VanDerWaalsContact C-OG1 3.29Å; F274-T277 VanDerWaalsContact CA-OG1 3.26Å; F274-T277 WeakPolarHBondContact CA-OG1 3.34Å; F274-T277 PolarHBondContact O-N 3.32Å; F274-T277 PolarHBondContact O-OG1 3.49Å; F274-L288 HydrophobicContact CE1-CD2 4.48Å
275Q71.9Confident73.9Confident113 Ų11375.3 Ų75.353%0.52840%0.395SS..Hα-helixtrans-63.8-40.7174.1-69.8179.6200112.1R271 T277 K278R271-Q275 PolarHBondContact O-N 3.43Å; Q275-T277 PolarHBondContact O-N 3.27Å; Q275-K278 PolarHBondContact O-N 3.01Å
276R63.3Low73.3Confident202 Ų20276.4 Ų76.476%0.76240%0.4SS*.Hα-helixtrans-70.9-21.9178.8-157.3171.8-169.3168.22112.8F274 K278F274-R276 PolarHBondContact O-N 2.9Å; R276-K278 VanDerWaalsContact C-N 3.34Å
277T61.6Low73Confident20 Ų2077 Ų7712%0.12340%0.398CS..THydrogen-bonded Turntrans-81.4-8.417953.80000114.7F274 Q275 G279 K286 V317F274-T277 VanDerWaalsContact C-OG1 3.29Å; F274-T277 VanDerWaalsContact CA-OG1 3.26Å; F274-T277 WeakPolarHBondContact CA-OG1 3.34Å; F274-T277 PolarHBondContact O-N 3.32Å; F274-T277 PolarHBondContact O-OG1 3.49Å; Q275-T277 PolarHBondContact O-N 3.27Å; T277-G279 VanDerWaalsContact C-N 3.33Å; T277-G279 PolarHBondContact O-N 3Å; T277-K286 HydrophobicContact CG2-CD 4.07Å; T277-V317 HydrophobicContact CG2-CG1 4.28Å
278K58Low72.9Confident166 Ų16677 Ų7772%0.72240%0.398SS*.  trans-63.893.5178.4-160.5171.8-173174.30109.5Q275 R276Q275-K278 PolarHBondContact O-N 3.01Å; R276-K278 VanDerWaalsContact C-N 3.34Å
279G54.6Low72.8Confident31 Ų3174.7 Ų74.732%0.3239%0.386SS..  trans-58.6157.1178.200000111.7T277 E283T277-G279 VanDerWaalsContact C-N 3.33Å; T277-G279 PolarHBondContact O-N 3Å; G279-E283 WeakPolarHBondContact CA-OE2 3.4Å
280R53.9Low72.9Confident231 Ų23175 Ų7587%0.87239%0.388SS*.SBendtrans-58.7145.8168.7-128.6170.9-174.6159.70.1108G282 E283R280-G282 PolarHBondContact O-N 3.33Å; R280-E283 PolarHBondContact O-N 3.41Å; R280-E283 VanDerWaalsContact O-N 3.12Å
281S56.6Low73.1Confident138 Ų13874.8 Ų74.897%0.96539%0.387SS*.THydrogen-bonded Turntrans-43.2115.8179.8-170.80000111.3
282G55Low73.5Confident85 Ų8569.5 Ų69.588%0.87637%0.367SS*.THydrogen-bonded Turntrans111.9-5.7-178.200000116.8R280R280-G282 PolarHBondContact O-N 3.33Å
283E58.8Low74Confident123 Ų12367.9 Ų67.958%0.57536%0.357SS*.PPolyproline II helixtrans-78.6140.2175.7-140168.5-177.800111.7G279 R280G279-E283 WeakPolarHBondContact CA-OE2 3.4Å; R280-E283 PolarHBondContact O-N 3.41Å; R280-E283 VanDerWaalsContact O-N 3.12Å
284A62.4Low74.4Confident87 Ų8768.7 Ų68.772%0.71936%0.363SS*.PPolyproline II helixtrans-60.3148.8-179.900000112.2K286A284-K286 PolarHBondContact O-N 3.43Å; A284-K286 VanDerWaalsContact O-N 3.15Å
285E70.6Confident74.8Confident115 Ų11568.5 Ų68.554%0.53736%0.363SS..PPolyproline II helixtrans-52.1118.5173.8-66.6178165.900110.6
286K82.1Confident75.4Confident40 Ų4065 Ų6517%0.17435%0.347CS..PPolyproline II helixtrans-71.3152.9177-68.2-166.8-173.6170.20110.6L240 T277 A284 T320L240-K286 VanDerWaalsContact CB-O 3.29Å; L240-K286 WeakPolarHBondContact CB-O 3.43Å; L240-K286 HydrophobicContact CD1-CB 4.14Å; L240-K286 PolarHBondContact N-O 2.94Å; T277-K286 HydrophobicContact CG2-CD 4.07Å; A284-K286 PolarHBondContact O-N 3.43Å; A284-K286 VanDerWaalsContact O-N 3.15Å; K286-T320 HydrophobicContact CD-CG2 4.34Å
287R88.2Confident76.3Confident40 Ų4056.3 Ų56.315%0.15132%0.318CS..EExtended strand (participates in β ladder)trans-116.6135.4-179.9-63.5172.3176.9-158.7-9.6111T217 V219 V237 W238 Q318T217-R287 VanDerWaalsContact O-CD 3.31Å; T217-R287 WeakPolarHBondContact O-CD 3.5Å; T217-R287 PolarHBondContact O-NH1 3.49Å; V219-R287 VanDerWaalsContact O-CZ 3.28Å; V219-R287 PolarHBondContact O-NH1 3.07Å; V219-R287 PolarHBondContact O-NH2 3.18Å; V237-R287 HydrophobicContact CG1-CB 4.28Å; W238-R287 WeakPolarHBondContact O-CA 3.39Å; R287-Q318 HydrophobicContact CB-CB 4.22Å; R287-Q318 PolarHBondContact O-N 3.2Å
288L90.5Very high77.4Confident1 Ų155.7 Ų55.71%0.00531%0.314CS..EExtended strand (participates in β ladder)trans-97.1134.7169.5173.271.1000108.1V237 W238 L240 L249 L269 F274 I315 V317V237-L288 WeakPolarHBondContact CA-O 3.41Å; W238-L288 HydrophobicContact CB-CB 4.29Å; W238-L288 HydrophobicContact CD2-CD2 4.43Å; W238-L288 HydrophobicContact CE3-CD2 4.21Å; W238-L288 HydrophobicContact CE3-CG 4.22Å; W238-L288 PolarHBondContact N-O 3.07Å; W238-L288 PolarHBondContact O-N 3.37Å; L240-L288 HydrophobicContact CD1-CB 4.21Å; L240-L288 HydrophobicContact CD2-CB 4.09Å; L240-L288 HydrophobicContact CG-CB 4.2Å; L249-L288 HydrophobicContact CD2-CD2 3.61Å; L269-L288 HydrophobicContact CD1-CD1 4.18Å; L269-L288 HydrophobicContact CD1-CD2 3.51Å; L269-L288 HydrophobicContact CD1-CG 4.45Å; F274-L288 HydrophobicContact CE1-CD2 4.48Å; L288-I315 HydrophobicContact CD1-CG2 3.93Å; L288-V317 HydrophobicContact CD1-CG2 3.87Å
289L92.5Very high78.7Confident3 Ų347.8 Ų47.82%0.01628%0.28CS..EExtended strand (participates in β ladder)trans-117.4129.6177.1173.463.5000109.6E213 L216 V237 V291 I315 V316E213-L289 HydrophobicContact CB-CD2 4.45Å; E213-L289 HydrophobicContact CG-CD2 4.07Å; L216-L289 HydrophobicContact CB-CD1 4.05Å; L216-L289 HydrophobicContact CB-CD2 4.28Å; L216-L289 HydrophobicContact CD1-CD1 3.67Å; L216-L289 HydrophobicContact CD1-CD2 3.94Å; L216-L289 HydrophobicContact CD1-CG 4.46Å; L216-L289 HydrophobicContact CD2-CD1 4.35Å; L216-L289 HydrophobicContact CG-CD1 4.25Å; V237-L289 HydrophobicContact CG2-CD1 3.91Å; L289-V291 HydrophobicContact CD1-CG2 3.7Å; L289-V291 HydrophobicContact CD2-CG2 3.75Å; L289-V291 HydrophobicContact CG-CG2 3.67Å; L289-I315 WeakPolarHBondContact O-CA 3.5Å; L289-V316 PolarHBondContact N-O 3.14Å; L289-V316 PolarHBondContact O-N 3.28Å
290L94.1Very high79.9Confident7 Ų751.5 Ų51.54%0.03729%0.289CS..EExtended strand (participates in β ladder)trans-116119.9165.8-174.972.1000108A235 T236 W238 I251 V267 L313 G314 I315A235-L290 CarbonylContact C-O 3.51Å; A235-L290 WeakPolarHBondContact CA-O 3.27Å; T236-L290 PolarHBondContact N-O 3.45Å; T236-L290 PolarHBondContact O-N 3.4Å; W238-L290 HydrophobicContact CH2-CB 3.71Å; W238-L290 HydrophobicContact CH2-CD2 3.97Å; W238-L290 HydrophobicContact CZ3-CB 3.42Å; W238-L290 VanDerWaalsContact CZ3-CB 3.42Å; I251-L290 HydrophobicContact CD1-CD2 4.17Å; I251-L290 HydrophobicContact CG2-CD2 3.85Å; V267-L290 HydrophobicContact CG2-CD1 4.43Å; L290-L313 HydrophobicContact CD1-CD1 3.64Å; L290-L313 HydrophobicContact CD1-CD2 3.95Å; L290-L313 HydrophobicContact CD1-CG 3.7Å; L290-L313 HydrophobicContact CD2-CD1 4.48Å; L290-L313 HydrophobicContact CG-CD1 4.01Å; L290-G314 CarbonylContact C-O 3.37Å; L290-G314 VanDerWaalsContact CA-O 3.28Å; L290-G314 WeakPolarHBondContact CA-O 3Å; L290-I315 HydrophobicContact CD1-CD1 4.33Å; L290-I315 HydrophobicContact CD1-CG1 3.54Å
291V94.4Very high80.8Confident1 Ų141.2 Ų41.21%0.00625%0.251CS..EExtended strand (participates in β ladder)trans-117.3121172.9-169.20000108.9L212 L216 I233 N234 A235 L289 F293 L313 G314L212-V291 HydrophobicContact CD2-CG1 4.38Å; L216-V291 HydrophobicContact CD1-CG2 4.18Å; I233-V291 HydrophobicContact CD1-CG1 3.99Å; I233-V291 HydrophobicContact CG1-CG1 3.89Å; N234-V291 CarbonylContact O-C 3.55Å; N234-V291 WeakPolarHBondContact O-CA 3.29Å; A235-V291 HydrophobicContact CB-CG1 4.47Å; A235-V291 HydrophobicContact CB-CG2 4.32Å; L289-V291 HydrophobicContact CD1-CG2 3.7Å; L289-V291 HydrophobicContact CD2-CG2 3.75Å; L289-V291 HydrophobicContact CG-CG2 3.67Å; V291-F293 HydrophobicContact CB-CE2 3.96Å; V291-F293 HydrophobicContact CG1-CD2 3.85Å; V291-F293 HydrophobicContact CG1-CE1 4.28Å; V291-F293 HydrophobicContact CG1-CE2 3.31Å; V291-F293 HydrophobicContact CG1-CZ 3.57Å; V291-L313 CarbonylContact O-C 3.44Å; V291-L313 WeakPolarHBondContact O-CA 3.26Å; V291-G314 PolarHBondContact N-O 3.46Å; V291-G314 PolarHBondContact O-N 2.9Å
292D93.4Very high81.4Confident5 Ų541.6 Ų41.63%0.02724%0.235CC..EExtended strand (participates in β ladder)trans-104.8115.8175.8169.84.7000108.7I233 N234 Y265 K311 L313I233-D292 CarbonylContact C-O 3.46Å; I233-D292 VanDerWaalsContact CA-O 3.28Å; I233-D292 WeakPolarHBondContact CA-O 3.46Å; N234-D292 HydrophobicContact CB-CB 4.2Å; N234-D292 PolarHBondContact N-O 3.41Å; N234-D292 PolarHBondContact O-N 2.95Å; Y265-D292 WeakPolarHBondContact CE1-OD2 3.36Å; Y265-D292 WeakPolarHBondContact OH-CB 3.35Å; Y265-D292 PolarHBondContact OH-OD2 3.31Å; D292-K311 VanDerWaalsContact CG-CE 3.41Å; D292-K311 WeakPolarHBondContact OD1-CD 3.43Å; D292-K311 WeakPolarHBondContact OD1-CE 3.12Å; D292-K311 IonicContact OD1-NZ 3.97Å; D292-K311 PolarHBondContact OD1-NZ 3.47Å; D292-K311 WeakPolarHBondContact OD2-CE 3.28Å; D292-K311 IonicContact OD2-NZ 3.5Å; D292-K311 PolarHBondContact OD2-NZ 3.16Å; D292-L313 HydrophobicContact CB-CD1 3.83Å
293F92.8Very high82Confident0 Ų043.8 Ų43.80%023%0.226CC..EExtended strand (participates in β ladder)trans-102.9128.4172.5-64.4-89.7000110.2L186 L190 L209 L212 I233 V291 S295 L298 F299 K311 V312 Y384L186-F293 HydrophobicContact CD2-CE1 4.46Å; L190-F293 HydrophobicContact CD1-CD1 3.8Å; L190-F293 HydrophobicContact CD1-CE1 4.25Å; L209-F293 HydrophobicContact CD2-CE2 4.18Å; L209-F293 HydrophobicContact CD2-CZ 3.78Å; L212-F293 HydrophobicContact CD2-CZ 3.95Å; I233-F293 HydrophobicContact CB-CD1 4.43Å; I233-F293 HydrophobicContact CD1-CD1 3.93Å; I233-F293 HydrophobicContact CD1-CE1 3.36Å; I233-F293 HydrophobicContact CD1-CZ 3.89Å; I233-F293 HydrophobicContact CG1-CD1 4.07Å; I233-F293 HydrophobicContact CG1-CE1 3.99Å; V291-F293 HydrophobicContact CB-CE2 3.96Å; V291-F293 HydrophobicContact CG1-CD2 3.85Å; V291-F293 HydrophobicContact CG1-CE1 4.28Å; V291-F293 HydrophobicContact CG1-CE2 3.31Å; V291-F293 HydrophobicContact CG1-CZ 3.57Å; F293-S295 VanDerWaalsContact C-N 3.28Å; F293-S295 PolarHBondContact O-N 2.91Å; F293-L298 HydrophobicContact CD1-CD1 4.38Å; F293-L298 HydrophobicContact CE1-CD1 3.75Å; F293-L298 HydrophobicContact CZ-CD1 4.23Å; F293-F299 AromaticContact CD2-CE2 3.9Å; F293-F299 HydrophobicContact CD2-CE2 3.9Å; F293-F299 HydrophobicContact CD2-CZ 4.11Å; F293-F299 HydrophobicContact CE2-CE2 4.18Å; F293-F299 HydrophobicContact CE2-CZ 4.01Å; F293-F299 HydrophobicContact CG-CE2 4.13Å; F293-K311 WeakPolarHBondContact O-CA 3.49Å; F293-V312 HydrophobicContact CB-CB 4.26Å; F293-V312 PolarHBondContact N-O 3.46Å; F293-V312 PolarHBondContact O-N 3.47Å; F293-Y384 HydrophobicContact CE2-CD1 4.22Å; F293-Y384 AromaticContact CE2-CE1 3.86Å; F293-Y384 HydrophobicContact CE2-CE1 3.86Å
294S89.7Confident82.6Confident23 Ų2342.6 Ų42.616%0.16123%0.232CC..EExtended strand (participates in β ladder)trans-97.235.9170.1-54.10000111.5R232 E310R232-S294 WeakPolarHBondContact CD-O 3.37Å; R232-S294 PolarHBondContact NH1-O 3.36Å; R232-S294 PolarHBondContact O-N 3.29Å; S294-E310 CarbonylContact C-O 3.45Å
295S86.3Confident83.3Confident7 Ų739.7 Ų39.75%0.04921%0.206CC..  trans-161.8136.3176.3-177.30000111.1F293 A297 E310F293-S295 VanDerWaalsContact C-N 3.28Å; F293-S295 PolarHBondContact O-N 2.91Å; S295-A297 VanDerWaalsContact C-N 3.32Å; S295-A297 PolarHBondContact O-N 3.33Å; S295-A297 PolarHBondContact OG-N 2.91Å; S295-E310 CarbonylContact C-O 3.53Å; S295-E310 VanDerWaalsContact C-O 3.31Å; S295-E310 WeakPolarHBondContact CA-O 3.39Å; S295-E310 PolarHBondContact N-O 3.37Å
296Q84.1Confident83.7Confident41 Ų4139.3 Ų39.319%0.19221%0.205CC..  trans-87.48.9176.566.8179.412.800114.1L298 F299 V307 E310Q296-L298 PolarHBondContact O-N 3.48Å; Q296-L298 VanDerWaalsContact O-N 3.13Å; Q296-F299 CarbonylContact O-C 3.58Å; Q296-F299 PolarHBondContact O-N 2.86Å; Q296-V307 HydrophobicContact CB-CB 4.49Å; Q296-V307 HydrophobicContact CB-CG2 4.37Å; Q296-V307 VanDerWaalsContact OE1-CB 3.28Å; Q296-E310 HydrophobicContact CB-CB 4.47Å; Q296-E310 HydrophobicContact CG-CB 4.42Å; Q296-E310 HydrophobicContact CG-CG 4.27Å
297A83.4Confident83.9Confident18 Ų1837.5 Ų37.515%0.14920%0.197CC..THydrogen-bonded Turntrans-60.6-26.6-172.400000114.8L190 P193 S295L190-A297 HydrophobicContact CD2-CB 3.93Å; P193-A297 HydrophobicContact CB-CB 4.15Å; P193-A297 HydrophobicContact CG-CB 4.4Å; S295-A297 VanDerWaalsContact C-N 3.32Å; S295-A297 PolarHBondContact O-N 3.33Å; S295-A297 PolarHBondContact OG-N 2.91Å
298L84.1Confident83.8Confident7 Ų735.6 Ų35.64%0.03719%0.19CC..THydrogen-bonded Turntrans-85-12.4174.3-66173.2000113.4L186 F189 L190 A205 L209 F293 Q296L186-L298 HydrophobicContact CD1-CD1 4.37Å; F189-L298 HydrophobicContact CE1-CD2 4.05Å; L190-L298 HydrophobicContact CD2-CD1 4.08Å; L190-L298 HydrophobicContact CD2-CG 3.83Å; A205-L298 HydrophobicContact CB-CB 4.34Å; A205-L298 HydrophobicContact CB-CD2 4.21Å; A205-L298 WeakPolarHBondContact CB-O 3.29Å; L209-L298 HydrophobicContact CD2-CD1 4.14Å; F293-L298 HydrophobicContact CD1-CD1 4.38Å; F293-L298 HydrophobicContact CE1-CD1 3.75Å; F293-L298 HydrophobicContact CZ-CD1 4.23Å; Q296-L298 PolarHBondContact O-N 3.48Å; Q296-L298 VanDerWaalsContact O-N 3.13Å
299F85.5Confident83.5Confident1 Ų136.8 Ų36.80%0.00420%0.202CC..  trans-124.454.5-168.2-51.9-82.1000110.6L209 F293 Q296 V312 W349 W361 Y384L209-F299 HydrophobicContact CD1-CD1 4.5Å; L209-F299 HydrophobicContact CD1-CE1 3.63Å; L209-F299 HydrophobicContact CD1-CZ 4.03Å; L209-F299 HydrophobicContact CD2-CE1 4.39Å; L209-F299 HydrophobicContact CD2-CZ 3.94Å; F293-F299 AromaticContact CD2-CE2 3.9Å; F293-F299 HydrophobicContact CD2-CE2 3.9Å; F293-F299 HydrophobicContact CD2-CZ 4.11Å; F293-F299 HydrophobicContact CE2-CE2 4.18Å; F293-F299 HydrophobicContact CE2-CZ 4.01Å; F293-F299 HydrophobicContact CG-CE2 4.13Å; Q296-F299 CarbonylContact O-C 3.58Å; Q296-F299 PolarHBondContact O-N 2.86Å; F299-V312 HydrophobicContact CD1-CG1 4.43Å; F299-V312 HydrophobicContact CD2-CB 4.04Å; F299-V312 HydrophobicContact CD2-CG1 3.94Å; F299-V312 HydrophobicContact CD2-CG2 3.77Å; F299-V312 HydrophobicContact CE1-CG1 4.19Å; F299-V312 HydrophobicContact CE2-CB 3.88Å; F299-V312 HydrophobicContact CE2-CG1 3.68Å; F299-V312 HydrophobicContact CE2-CG2 4.15Å; F299-V312 HydrophobicContact CG-CG1 4.31Å; F299-V312 HydrophobicContact CG-CG2 4.35Å; F299-V312 HydrophobicContact CZ-CB 4.49Å; F299-V312 HydrophobicContact CZ-CG1 3.81Å; F299-W349 HydrophobicContact CB-CD2 4.28Å; F299-W349 HydrophobicContact CB-CE3 4.05Å; F299-W349 HydrophobicContact CB-CZ3 4.19Å; F299-W349 HydrophobicContact CD1-CB 4.04Å; F299-W349 AromaticContact CD1-CD1 3.78Å; F299-W349 AromaticContact CD1-CD2 3.73Å; F299-W349 HydrophobicContact CD1-CD2 3.73Å; F299-W349 HydrophobicContact CD1-CE3 4.3Å; F299-W349 AromaticContact CD1-CG 3.59Å; F299-W349 HydrophobicContact CD1-CG 3.59Å; F299-W349 HydrophobicContact CE1-CB 4.38Å; F299-W349 HydrophobicContact CE1-CG 4.12Å; F299-W361 HydrophobicContact CB-CH2 3.56Å; F299-W361 HydrophobicContact CB-CZ2 3.33Å; F299-W361 HydrophobicContact CD1-CH2 4.23Å; F299-W361 AromaticContact CG-CH2 3.99Å; F299-W361 HydrophobicContact CG-CH2 3.99Å; F299-W361 HydrophobicContact CG-CZ2 4.25Å; F299-W361 WeakPolarHBondContact O-CZ2 3.22Å; F299-Y384 HydrophobicContact CE1-CD1 4.06Å; F299-Y384 HydrophobicContact CE1-CD2 4.42Å; F299-Y384 AromaticContact CE1-CG 3.88Å; F299-Y384 HydrophobicContact CE1-CG 3.88Å; F299-Y384 AromaticContact CZ-CD1 3.79Å; F299-Y384 HydrophobicContact CZ-CD1 3.79Å; F299-Y384 HydrophobicContact CZ-CE1 4.33Å; F299-Y384 HydrophobicContact CZ-CG 4.1Å
300Q79.2Confident83.3Confident109 Ų10940.6 Ų40.651%0.50922%0.22SC..  trans-96.9114.5178.8-65.2-172.7-4.600109.9P358Q300-P358 WeakPolarHBondContact O-CB 3.42Å
301D73.4Confident83.2Confident14 Ų1440.4 Ų40.48%0.07522%0.219CC..  trans-85.3169.3171.770.7-43.1000111.2N303 S304 S305 W349 G359D301-N303 PolarHBondContact O-N 2.79Å; D301-N303 VanDerWaalsContact O-N 3.11Å; D301-N303 WeakPolarHBondContact OD2-CB 3.36Å; D301-N303 PolarHBondContact OD2-N 2.87Å; D301-S304 PolarHBondContact O-N 3.24Å; D301-S304 PolarHBondContact OD1-N 3.31Å; D301-S305 WeakPolarHBondContact OD1-CB 3Å; D301-S305 PolarHBondContact OD1-N 3.33Å; D301-S305 PolarHBondContact OD1-OG 3.47Å; D301-S305 PolarHBondContact OD2-OG 3.28Å; D301-W349 HydrophobicContact CB-CZ3 4.34Å; D301-G359 WeakPolarHBondContact CA-O 3.33Å
302K69Low83.1Confident147 Ų14740.3 Ų40.364%0.63922%0.218SC*.THydrogen-bonded Turntrans-59.1-25.2178.9-66.6-179-175.9168.60113.7S357 P358K302-S357 VanDerWaalsContact CE-OG 3.27Å; K302-S357 WeakPolarHBondContact CE-OG 3.32Å; K302-S357 PolarHBondContact NZ-OG 2.94Å; K302-S357 VanDerWaalsContact NZ-OG 3.12Å; K302-P358 HydrophobicContact CG-CG 3.96Å
303N67.5Low83.2Confident130 Ų13040.1 Ų40.170%0.69522%0.217SC*.THydrogen-bonded Turntrans-90.2-3.2-179.2-60.9-11.8000113.2D301 S305D301-N303 PolarHBondContact O-N 2.79Å; D301-N303 VanDerWaalsContact O-N 3.11Å; D301-N303 WeakPolarHBondContact OD2-CB 3.36Å; D301-N303 PolarHBondContact OD2-N 2.87Å; N303-S305 PolarHBondContact O-N 3.12Å
304S72Confident83.3Confident98 Ų9840.2 Ų40.269%0.68522%0.218SC*.  trans51.845.5-174.1-57.80000112.1D301D301-S304 PolarHBondContact O-N 3.24Å; D301-S304 PolarHBondContact OD1-N 3.31Å
305S75.6Confident83.5Confident26 Ų2639.1 Ų39.118%0.18221%0.21CC..PPolyproline II helixtrans-62.7138.6-176.1-57.10000110.6D301 N303 L388D301-S305 WeakPolarHBondContact OD1-CB 3Å; D301-S305 PolarHBondContact OD1-N 3.33Å; D301-S305 PolarHBondContact OD1-OG 3.47Å; D301-S305 PolarHBondContact OD2-OG 3.28Å; N303-S305 PolarHBondContact O-N 3.12Å; S305-L388 VanDerWaalsContact CB-CD1 3.44Å
306Q79.5Confident83.8Confident108 Ų10840 Ų4051%0.50522%0.216SC..PPolyproline II helixtrans-85.1119.4-176.6-175.1176.3400111.5L388 M389Q306-L388 VanDerWaalsContact O-CD1 3.27Å; Q306-L388 WeakPolarHBondContact O-CD1 3.43Å; Q306-M389 HydrophobicContact CB-CB 4.37Å; Q306-M389 HydrophobicContact CG-CB 4.44Å; Q306-M389 HydrophobicContact CG-SD 4.08Å; Q306-M389 PolarHBondContact O-N 2.94Å
307V86.3Confident84Confident2 Ų238.2 Ų38.21%0.01221%0.207CC..EExtended strand (participates in β ladder)trans-86.7134.8171.3177.20000110.3Q296 G309 E310 K311 V312 W361 A386 L388Q296-V307 HydrophobicContact CB-CB 4.49Å; Q296-V307 HydrophobicContact CB-CG2 4.37Å; Q296-V307 VanDerWaalsContact OE1-CB 3.28Å; V307-G309 PolarHBondContact O-N 3.15Å; V307-E310 PolarHBondContact O-N 3.39Å; V307-E310 VanDerWaalsContact O-N 3.08Å; V307-K311 WeakPolarHBondContact CG1-O 3.44Å; V307-V312 HydrophobicContact CG1-CG2 4.45Å; V307-W361 HydrophobicContact CG2-CH2 4.49Å; V307-W361 HydrophobicContact CG2-CZ2 3.82Å; V307-A386 HydrophobicContact CG1-CB 3.77Å; V307-A386 HydrophobicContact CG2-CB 4.14Å; V307-L388 HydrophobicContact CG2-CD1 4.18Å
308L86.7Confident84Confident0 Ų039.6 Ų39.60%021%0.21CC..EExtended strand (participates in β ladder)trans-56.6121.1174.9178.566.7000110.5E261 I262 E310 K311 H335 L344 V387 M389E261-L308 HydrophobicContact CB-CD1 4.42Å; I262-L308 HydrophobicContact CD1-CB 4.39Å; I262-L308 HydrophobicContact CD1-CD2 4.19Å; I262-L308 HydrophobicContact CD1-CG 3.91Å; I262-L308 WeakPolarHBondContact CD1-O 3.17Å; I262-L308 HydrophobicContact CG1-CD2 4.04Å; I262-L308 HydrophobicContact CG1-CG 3.85Å; L308-E310 PolarHBondContact O-N 2.93Å; L308-K311 PolarHBondContact O-N 3.16Å; L308-K311 VanDerWaalsContact O-N 3.17Å; L308-H335 HydrophobicContact CD2-CB 4.05Å; L308-L344 HydrophobicContact CD1-CD2 4.38Å; L308-L344 HydrophobicContact CD2-CD1 4.32Å; L308-L344 HydrophobicContact CD2-CD2 4.2Å; L308-V387 HydrophobicContact CB-CB 4.07Å; L308-V387 HydrophobicContact CB-CG1 4.24Å; L308-V387 VanDerWaalsContact CB-O 3.27Å; L308-V387 WeakPolarHBondContact CB-O 3.22Å; L308-V387 HydrophobicContact CD2-CB 4.07Å; L308-V387 HydrophobicContact CD2-CG1 3.9Å; L308-V387 PolarHBondContact N-O 3.25Å; L308-M389 HydrophobicContact CB-CE 4.4Å; L308-M389 HydrophobicContact CB-CG 4.35Å; L308-M389 HydrophobicContact CD1-CE 3.33Å; L308-M389 HydrophobicContact CG-CE 4.44Å
309G85.1Confident83.8Confident26 Ų2646.8 Ų46.827%0.26825%0.249SC..EExtended strand (participates in β ladder)trans58.315.3-177.200000115.3E261 V307 K311E261-G309 WeakPolarHBondContact OE2-CA 3.45Å; E261-G309 PolarHBondContact OE2-N 2.94Å; V307-G309 PolarHBondContact O-N 3.15Å; G309-K311 PolarHBondContact O-N 3.19Å
310E87Confident83.7Confident82 Ų8248.7 Ų48.738%0.38326%0.261SS..EExtended strand (participates in β ladder)trans5222.3-169.7-54.1-174.3173.400114.1S294 S295 Q296 V307 L308S294-E310 CarbonylContact C-O 3.45Å; S295-E310 CarbonylContact C-O 3.53Å; S295-E310 VanDerWaalsContact C-O 3.31Å; S295-E310 WeakPolarHBondContact CA-O 3.39Å; S295-E310 PolarHBondContact N-O 3.37Å; Q296-E310 HydrophobicContact CB-CB 4.47Å; Q296-E310 HydrophobicContact CG-CB 4.42Å; Q296-E310 HydrophobicContact CG-CG 4.27Å; V307-E310 PolarHBondContact O-N 3.39Å; V307-E310 VanDerWaalsContact O-N 3.08Å; L308-E310 PolarHBondContact O-N 2.93Å
311K91.5Very high83.9Confident3 Ų353.9 Ų53.91%0.01328%0.282CS..EExtended strand (participates in β ladder)trans-88.2121.9-171.5-164.179.1166.5177.20110.6E256 I262 Y265 D292 F293 V307 L308 G309E256-K311 IonicContact OE1-NZ 3.93Å; E256-K311 PolarHBondContact OE1-NZ 3.09Å; I262-K311 HydrophobicContact CD1-CB 3.41Å; I262-K311 VanDerWaalsContact CD1-CB 3.41Å; I262-K311 HydrophobicContact CD1-CG 4Å; Y265-K311 VanDerWaalsContact CE1-CE 3.49Å; D292-K311 VanDerWaalsContact CG-CE 3.41Å; D292-K311 WeakPolarHBondContact OD1-CD 3.43Å; D292-K311 WeakPolarHBondContact OD1-CE 3.12Å; D292-K311 IonicContact OD1-NZ 3.97Å; D292-K311 PolarHBondContact OD1-NZ 3.47Å; D292-K311 WeakPolarHBondContact OD2-CE 3.28Å; D292-K311 IonicContact OD2-NZ 3.5Å; D292-K311 PolarHBondContact OD2-NZ 3.16Å; F293-K311 WeakPolarHBondContact O-CA 3.49Å; V307-K311 WeakPolarHBondContact CG1-O 3.44Å; L308-K311 PolarHBondContact O-N 3.16Å; L308-K311 VanDerWaalsContact O-N 3.17Å; G309-K311 PolarHBondContact O-N 3.19Å
312V93.9Very high84.5Confident0 Ų054.4 Ų54.40%029%0.285CS..EExtended strand (participates in β ladder)trans-126.1125.7176.6-1740000109.5F293 F299 V307 W361 F385 A386F293-V312 HydrophobicContact CB-CB 4.26Å; F293-V312 PolarHBondContact N-O 3.46Å; F293-V312 PolarHBondContact O-N 3.47Å; F299-V312 HydrophobicContact CD1-CG1 4.43Å; F299-V312 HydrophobicContact CD2-CB 4.04Å; F299-V312 HydrophobicContact CD2-CG1 3.94Å; F299-V312 HydrophobicContact CD2-CG2 3.77Å; F299-V312 HydrophobicContact CE1-CG1 4.19Å; F299-V312 HydrophobicContact CE2-CB 3.88Å; F299-V312 HydrophobicContact CE2-CG1 3.68Å; F299-V312 HydrophobicContact CE2-CG2 4.15Å; F299-V312 HydrophobicContact CG-CG1 4.31Å; F299-V312 HydrophobicContact CG-CG2 4.35Å; F299-V312 HydrophobicContact CZ-CB 4.49Å; F299-V312 HydrophobicContact CZ-CG1 3.81Å; V307-V312 HydrophobicContact CG1-CG2 4.45Å; V312-W361 HydrophobicContact CG1-CH2 4.28Å; V312-W361 HydrophobicContact CG2-CH2 4.16Å; V312-F385 CarbonylContact C-O 3.6Å; V312-F385 WeakPolarHBondContact CA-O 3.37Å; V312-A386 HydrophobicContact CG2-CB 4.26Å
313L95.1Very high85.3Confident1 Ų150 Ų501%0.00528%0.276CS..EExtended strand (participates in β ladder)trans-112.3108.1-177.3-163.368.6000111.2Y265 V267 L290 V291 D292 I315 L331 Y384 F385Y265-L313 HydrophobicContact CD2-CD2 4.01Å; Y265-L313 HydrophobicContact CE2-CD1 3.84Å; Y265-L313 HydrophobicContact CE2-CD2 4.02Å; V267-L313 HydrophobicContact CG2-CD2 3.39Å; L290-L313 HydrophobicContact CD1-CD1 3.64Å; L290-L313 HydrophobicContact CD1-CD2 3.95Å; L290-L313 HydrophobicContact CD1-CG 3.7Å; L290-L313 HydrophobicContact CD2-CD1 4.48Å; L290-L313 HydrophobicContact CG-CD1 4.01Å; V291-L313 CarbonylContact O-C 3.44Å; V291-L313 WeakPolarHBondContact O-CA 3.26Å; D292-L313 HydrophobicContact CB-CD1 3.83Å; L313-I315 HydrophobicContact CD2-CD1 4.48Å; L313-L331 HydrophobicContact CD2-CD2 3.58Å; L313-Y384 CarbonylContact O-C 3.45Å; L313-Y384 WeakPolarHBondContact O-CA 3.4Å; L313-F385 PolarHBondContact N-O 2.99Å; L313-F385 PolarHBondContact O-N 3.2Å
314G94.5Very high86.3Confident1 Ų150 Ų501%0.0128%0.276CS..EExtended strand (participates in β ladder)trans-84.2122.1171.400000111.9L290 V291 T383L290-G314 CarbonylContact C-O 3.37Å; L290-G314 VanDerWaalsContact CA-O 3.28Å; L290-G314 WeakPolarHBondContact CA-O 3Å; V291-G314 PolarHBondContact N-O 3.46Å; V291-G314 PolarHBondContact O-N 2.9Å; G314-T383 WeakPolarHBondContact CA-O 3.08Å
315I94.4Very high87Confident1 Ų146.3 Ų46.31%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-120.2117.6169.9-53.7166.7000107.5V267 L269 L288 L289 L290 L313 V329 L331 L382 T383 F385V267-I315 HydrophobicContact CG1-CD1 3.55Å; L269-I315 HydrophobicContact CD1-CG2 4.43Å; L269-I315 HydrophobicContact CD2-CD1 4.43Å; L269-I315 HydrophobicContact CD2-CG2 4.05Å; L288-I315 HydrophobicContact CD1-CG2 3.93Å; L289-I315 WeakPolarHBondContact O-CA 3.5Å; L290-I315 HydrophobicContact CD1-CD1 4.33Å; L290-I315 HydrophobicContact CD1-CG1 3.54Å; L313-I315 HydrophobicContact CD2-CD1 4.48Å; I315-V329 HydrophobicContact CD1-CG1 4.29Å; I315-L331 HydrophobicContact CD1-CD2 3.73Å; I315-L382 HydrophobicContact CB-CD2 4.11Å; I315-L382 HydrophobicContact CG2-CD1 4.3Å; I315-L382 HydrophobicContact CG2-CD2 3.7Å; I315-L382 HydrophobicContact CG2-CG 4.48Å; I315-L382 CarbonylContact O-C 3.56Å; I315-L382 WeakPolarHBondContact O-CB 3.27Å; I315-T383 PolarHBondContact N-O 3.1Å; I315-T383 PolarHBondContact O-N 2.85Å; I315-F385 HydrophobicContact CD1-CD2 4.33Å; I315-F385 HydrophobicContact CD1-CE2 4.36Å
316V91.8Very high87.5Confident26 Ų2651.7 Ų51.716%0.15828%0.281CS..EExtended strand (participates in β ladder)trans-138.2140.8-174.7-176.40000109.9L289L289-V316 PolarHBondContact N-O 3.14Å; L289-V316 PolarHBondContact O-N 3.28Å
317V88.8Confident88.1Confident2 Ų250.1 Ų50.11%0.01227%0.274CS..EExtended strand (participates in β ladder)trans-107.3131.9170.8-178.70000108.6L240 T277 L288 N319 T320 L382L240-V317 HydrophobicContact CD1-CG1 4.41Å; T277-V317 HydrophobicContact CG2-CG1 4.28Å; L288-V317 HydrophobicContact CD1-CG2 3.87Å; V317-N319 PolarHBondContact O-N 2.99Å; V317-T320 VanDerWaalsContact CB-OG1 3.25Å; V317-T320 WeakPolarHBondContact CB-OG1 3.33Å; V317-T320 WeakPolarHBondContact CG1-OG1 3.48Å; V317-T320 PolarHBondContact O-N 2.99Å; V317-T320 VanDerWaalsContact O-N 3.15Å; V317-T320 PolarHBondContact O-OG1 3.31Å; V317-L382 HydrophobicContact CG2-CD1 3.71Å
318Q84.2Confident88.4Confident47 Ų4752.7 Ų52.722%0.2229%0.29CS..THydrogen-bonded Turntrans-49.8125-175.3-178.1179.319.800112.4T217 R287 T320T217-Q318 HydrophobicContact CG2-CB 3.88Å; T217-Q318 HydrophobicContact CG2-CG 3.9Å; T217-Q318 PolarHBondContact O-NE2 3.21Å; R287-Q318 HydrophobicContact CB-CB 4.22Å; R287-Q318 PolarHBondContact O-N 3.2Å; Q318-T320 PolarHBondContact O-N 2.92Å
319N79.6Confident88.8Confident159 Ų15952.7 Ų52.785%0.8529%0.29SS*.THydrogen-bonded Turntrans54.221.4176.4-64.7-13.4000115.1V317V317-N319 PolarHBondContact O-N 2.99Å
320T82.8Confident89.3Confident41 Ų4152.5 Ų52.525%0.25228%0.284SS..BIsolated β-bridgetrans-135.9118.6179.756.50000111.4K286 V317 Q318 V322K286-T320 HydrophobicContact CD-CG2 4.34Å; V317-T320 VanDerWaalsContact CB-OG1 3.25Å; V317-T320 WeakPolarHBondContact CB-OG1 3.33Å; V317-T320 WeakPolarHBondContact CG1-OG1 3.48Å; V317-T320 PolarHBondContact O-N 2.99Å; V317-T320 VanDerWaalsContact O-N 3.15Å; V317-T320 PolarHBondContact O-OG1 3.31Å; Q318-T320 PolarHBondContact O-N 2.92Å; T320-V322 PolarHBondContact O-N 3.34Å
321K84Confident89.7Confident218 Ų21848.6 Ų48.695%0.94827%0.266SS*.  trans-79.4117.9167.2-68.8-169.2176.9-171.70109
322V85Confident89.9Confident24 Ų2449.4 Ų49.415%0.14527%0.271CS..  trans-104118.1-179.8-179.50000108.9L273 T320 L325 H381 L382L273-V322 HydrophobicContact CD1-CB 4.35Å; L273-V322 HydrophobicContact CD1-CG1 3.59Å; L273-V322 HydrophobicContact CD1-CG2 4.05Å; T320-V322 PolarHBondContact O-N 3.34Å; V322-L325 HydrophobicContact CG1-CD1 3.98Å; V322-L325 HydrophobicContact CG1-CD2 3.61Å; V322-L325 HydrophobicContact CG1-CG 3.85Å; V322-H381 VanDerWaalsContact O-CA 3.29Å; V322-H381 WeakPolarHBondContact O-CA 3.44Å; V322-H381 VanDerWaalsContact O-CB 3.29Å; V322-H381 WeakPolarHBondContact O-CB 3.18Å; V322-L382 HydrophobicContact CB-CB 4.14Å; V322-L382 HydrophobicContact CB-CD1 3.98Å; V322-L382 HydrophobicContact CB-CG 4.01Å; V322-L382 HydrophobicContact CG1-CD1 4.24Å; V322-L382 HydrophobicContact CG1-CG 4.16Å; V322-L382 HydrophobicContact CG2-CD1 4.04Å; V322-L382 PolarHBondContact O-N 3.33Å; V322-L382 VanDerWaalsContact O-N 3.08Å
323A87.2Confident90Very high55 Ų5549.5 Ų49.546%0.45527%0.271SS..  trans-144.6163.4177.300000110.8L325 N380 H381A323-L325 PolarHBondContact O-N 3.38Å; A323-N380 CarbonylContact C-O 3.51Å; A323-H381 HydrophobicContact CB-CB 4.21Å
324N86.7Confident89.9Confident130 Ų13053 Ų5370%0.69529%0.287SS*.  trans53.548.4-178.4-62.8-23.9000113N380N324-N380 PolarHBondContact N-O 2.87Å
325L87.2Confident89.6Confident21 Ų2153.3 Ų53.311%0.1129%0.288CS..  trans-66.2134.8170.3-66169.8000110.2L273 V322 A323 E327 V329 N380L273-L325 HydrophobicContact CD1-CD2 4.23Å; V322-L325 HydrophobicContact CG1-CD1 3.98Å; V322-L325 HydrophobicContact CG1-CD2 3.61Å; V322-L325 HydrophobicContact CG1-CG 3.85Å; A323-L325 PolarHBondContact O-N 3.38Å; L325-E327 WeakPolarHBondContact CB-O 3.48Å; L325-V329 HydrophobicContact CD1-CG2 3.82Å; L325-N380 WeakPolarHBondContact CB-O 3.42Å; L325-N380 WeakPolarHBondContact CG-O 3.28Å; L325-N380 PolarHBondContact N-O 2.86Å
326T87.3Confident89.1Confident139 Ų13957.4 Ų57.485%0.85331%0.308SS*.SBendtrans-71.3-38.1175.15.40000112
327E90.8Very high88.5Confident75 Ų7562 Ų6235%0.3533%0.33SS..SBendtrans-102.7125.4170.4-69.5171.6170.300108.4P270 T272 L325P270-E327 HydrophobicContact CB-CB 3.9Å; P270-E327 WeakPolarHBondContact CB-OE2 3.42Å; P270-E327 HydrophobicContact CG-CB 4.16Å; T272-E327 HydrophobicContact CG2-CG 4.46Å; T272-E327 WeakPolarHBondContact CG2-OE2 3.25Å; T272-E327 PolarHBondContact OG1-OE2 3.45Å; L325-E327 WeakPolarHBondContact CB-O 3.48Å
328P93.3Very high87.8Confident55 Ų5563.3 Ų63.336%0.35734%0.337SS..PPolyproline II helixtrans-73.9149.4-17730.2-34.8000111.8F378 C379P328-F378 HydrophobicContact CB-CB 4.07Å; P328-F378 HydrophobicContact CG-CB 4.3Å; P328-F378 HydrophobicContact CG-CD1 4.01Å; P328-C379 CarbonylContact C-O 3.5Å; P328-C379 WeakPolarHBondContact CA-O 3.44Å
329V94.3Very high87Confident0 Ų064.4 Ų64.40%035%0.348CS..EExtended strand (participates in β ladder)trans-73.3131.3163.91780000108.1V267 L269 I315 L325 L331 F378 C379 L382V267-V329 HydrophobicContact CG1-CG1 4.26Å; L269-V329 HydrophobicContact CD2-CB 4.46Å; L269-V329 HydrophobicContact CD2-CG1 3.69Å; L269-V329 HydrophobicContact CD2-CG2 3.91Å; I315-V329 HydrophobicContact CD1-CG1 4.29Å; L325-V329 HydrophobicContact CD1-CG2 3.82Å; V329-L331 HydrophobicContact CG1-CG 4.46Å; V329-F378 WeakPolarHBondContact O-CA 3.28Å; V329-C379 PolarHBondContact N-O 3.03Å; V329-C379 PolarHBondContact O-N 3.4Å; V329-L382 HydrophobicContact CG2-CD2 3.7Å
330V96Very high86.3Confident23 Ų2366.7 Ų66.714%0.13935%0.35CS..EExtended strand (participates in β ladder)trans-106.7114-179.6-167.50000109.2V267 L268 C377 F378V267-V330 WeakPolarHBondContact CA-O 3.43Å; L268-V330 HydrophobicContact CB-CB 3.99Å; L268-V330 HydrophobicContact CB-CG2 4.48Å; L268-V330 HydrophobicContact CD2-CB 4.4Å; L268-V330 HydrophobicContact CD2-CG2 4.14Å; L268-V330 PolarHBondContact N-O 3.46Å; L268-V330 PolarHBondContact O-N 2.87Å; L268-V330 VanDerWaalsContact O-N 3.09Å; V330-C377 WeakPolarHBondContact CA-O 3.22Å; V330-F378 HydrophobicContact CB-CD1 4.46Å; V330-F378 HydrophobicContact CB-CE1 4.34Å; V330-F378 HydrophobicContact CG1-CD1 4.19Å; V330-F378 HydrophobicContact CG1-CE1 3.78Å; V330-F378 HydrophobicContact CG1-CZ 3.97Å; V330-F378 HydrophobicContact CG2-CD1 3.66Å; V330-F378 HydrophobicContact CG2-CE1 3.61Å
331L96.4Very high85.2Confident0 Ų067.5 Ų67.50%035%0.353CS..EExtended strand (participates in β ladder)trans-103.4124.4170.9-50.8119.4000107.8S266 V267 L313 I315 V329 F333 S376 C377 F385S266-L331 CarbonylContact O-C 3.55Å; S266-L331 WeakPolarHBondContact O-CA 3.24Å; V267-L331 HydrophobicContact CG1-CD2 4.45Å; V267-L331 HydrophobicContact CG2-CD2 4.35Å; L313-L331 HydrophobicContact CD2-CD2 3.58Å; I315-L331 HydrophobicContact CD1-CD2 3.73Å; V329-L331 HydrophobicContact CG1-CG 4.46Å; L331-F333 HydrophobicContact CB-CE2 3.74Å; L331-F333 HydrophobicContact CB-CZ 4.27Å; L331-S376 CarbonylContact O-C 3.55Å; L331-S376 VanDerWaalsContact O-CA 3.28Å; L331-S376 WeakPolarHBondContact O-CA 3.45Å; L331-C377 HydrophobicContact CB-CB 4.12Å; L331-C377 HydrophobicContact CD1-CB 3.93Å; L331-C377 PolarHBondContact N-O 2.9Å; L331-C377 PolarHBondContact O-N 3.37Å; L331-F385 HydrophobicContact CD1-CB 4.16Å; L331-F385 HydrophobicContact CD1-CD1 4.26Å; L331-F385 HydrophobicContact CD1-CD2 3.92Å; L331-F385 HydrophobicContact CD1-CE2 4.43Å; L331-F385 HydrophobicContact CD1-CG 3.83Å; L331-F385 HydrophobicContact CD2-CB 4.38Å; L331-F385 HydrophobicContact CD2-CD2 4.08Å; L331-F385 HydrophobicContact CD2-CG 4.44Å
332T95.8Very high84.7Confident19 Ų1958.5 Ų58.512%0.11732%0.316CS..EExtended strand (participates in β ladder)trans-120.1121.8177.8-60.70000109.5Y265 S266 Q374 T375 S376Y265-T332 CarbonylContact C-O 3.58Å; Y265-T332 WeakPolarHBondContact CA-O 3.32Å; S266-T332 PolarHBondContact N-O 3.05Å; S266-T332 PolarHBondContact O-N 3.09Å; S266-T332 WeakPolarHBondContact OG-CB 3.48Å; T332-Q374 HydrophobicContact CG2-CG 3.5Å; T332-Q374 VanDerWaalsContact CG2-NE2 3.26Å; T332-T375 WeakPolarHBondContact CA-O 3.35Å; T332-S376 WeakPolarHBondContact CG2-OG 3.49Å; T332-S376 PolarHBondContact OG1-OG 3.47Å; T332-S376 VanDerWaalsContact OG1-OG 3.05Å
333F94.3Very high84.5Confident2 Ų259.9 Ų59.91%0.00933%0.325CS..EExtended strand (participates in β ladder)trans-107.1118.8178.8-61-90.7000108.6I262 L331 Q374 T375 V387I262-F333 HydrophobicContact CD1-CD1 4.15Å; I262-F333 HydrophobicContact CG2-CD1 4.47Å; L331-F333 HydrophobicContact CB-CE2 3.74Å; L331-F333 HydrophobicContact CB-CZ 4.27Å; F333-Q374 CarbonylContact O-C 3.48Å; F333-Q374 WeakPolarHBondContact O-CA 3.43Å; F333-T375 PolarHBondContact N-O 3.46Å; F333-T375 PolarHBondContact O-N 3.49Å; F333-V387 HydrophobicContact CD2-CG2 3.43Å; F333-V387 VanDerWaalsContact CD2-CG2 3.43Å; F333-V387 HydrophobicContact CE2-CG2 3.67Å; F333-V387 HydrophobicContact CG-CG2 3.97Å; F333-V387 HydrophobicContact CZ-CG2 4.36Å
334Q93Very high84.6Confident75 Ų7557.7 Ų57.735%0.3531%0.305SS..EExtended strand (participates in β ladder)trans-87.2125.9167.6-60.6-159.61800108.8I262 M263 E264I262-Q334 CarbonylContact C-O 3.59Å; I262-Q334 WeakPolarHBondContact CA-O 3.45Å; M263-Q334 PolarHBondContact N-O 2.95Å; E264-Q334 VanDerWaalsContact CD-CD 3.48Å; E264-Q334 HydrophobicContact CG-CB 3.59Å; E264-Q334 HydrophobicContact CG-CG 3.59Å; E264-Q334 PolarHBondContact N-O 3.25Å; E264-Q334 PolarHBondContact O-N 3.41Å; E264-Q334 PolarHBondContact OE1-NE2 2.68Å
335H88.1Confident84.8Confident7 Ų754.5 Ų54.53%0.03229%0.286CS..EExtended strand (participates in β ladder)trans-135.3159.6-174.95872000110.9E261 I262 L308 L344 E372 T373 Q374 T375E261-H335 CarbonylContact O-C 3.53Å; E261-H335 WeakPolarHBondContact O-CA 3.38Å; E261-H335 VanDerWaalsContact O-CB 3.27Å; E261-H335 WeakPolarHBondContact O-CB 3.19Å; I262-H335 HydrophobicContact CG1-CB 4.43Å; L308-H335 HydrophobicContact CD2-CB 4.05Å; H335-L344 VanDerWaalsContact NE2-CD1 3.26Å; H335-L344 WeakPolarHBondContact NE2-CD1 3.32Å; H335-E372 PolarHBondContact CE1-O 3.41Å; H335-T373 PolarHBondContact N-O 3.4Å; H335-T373 CarbonylContact O-C 3.58Å; H335-T373 WeakPolarHBondContact O-CA 3.26Å; H335-T373 VanDerWaalsContact O-O 3.11Å; H335-Q374 PolarHBondContact NE2-N 2.88Å; H335-T375 PolarHBondContact NE2-OG1 2.88Å
336Q84.2Confident85.1Confident87 Ų8753.6 Ų53.641%0.40728%0.281SS..PPolyproline II helixtrans-60.2157.1170.3-58.9-170.313.700110.4E258 S260 E261 M263 Q338E258-Q336 PolarHBondContact O-NE2 3.23Å; S260-Q336 PolarHBondContact O-NE2 3.39Å; E261-Q336 PolarHBondContact O-N 3.14Å; M263-Q336 HydrophobicContact SD-CG 4.43Å; Q336-Q338 PolarHBondContact O-N 2.65Å; Q336-Q338 PolarHBondContact O-NE2 3.23Å
337L79Confident85.5Confident122 Ų12247.2 Ų47.264%0.63924%0.243SC*.PPolyproline II helixtrans-55.6117.1179.1-177.767.5000109.6E372L337-E372 HydrophobicContact CD1-CB 3.94Å
338Q74.8Confident85.6Confident31 Ų3145.1 Ų45.115%0.14523%0.232CC..PPolyproline II helixtrans-82.1148.8-178.5-65.2-57.9-43.900111.3Q336 L344Q336-Q338 PolarHBondContact O-N 2.65Å; Q336-Q338 PolarHBondContact O-NE2 3.23Å; Q338-L344 HydrophobicContact CG-CD1 4.02Å; Q338-L344 HydrophobicContact CG-CD2 4.3Å; Q338-L344 HydrophobicContact CG-CG 4.48Å
339P68Low85.5Confident69 Ų6943.2 Ų43.245%0.44822%0.218SC..PPolyproline II helixtrans-56.4140.8172.9-25.736.3000112.2N341 V342P339-N341 WeakPolarHBondContact CB-OD1 3.1Å; P339-N341 PolarHBondContact O-N 3.31Å; P339-V342 HydrophobicContact CB-CG2 4.32Å; P339-V342 PolarHBondContact O-N 2.93Å
340K65.2Low85.3Confident208 Ų20845 Ų4590%0.90423%0.228SC*.THydrogen-bonded Turntrans-59.6-19.4-179.1-67.6-172.4178.5-175.80114.1V342 S392K340-V342 VanDerWaalsContact C-N 3.3Å; K340-S392 PolarHBondContact O-OG 3.33Å
341N59.4Low84.6Confident58 Ų5846.9 Ų46.931%0.3124%0.236SC..THydrogen-bonded Turntrans-85.97.5177.961.5-39.6000114.2P339 S391 S392 V393P339-N341 WeakPolarHBondContact CB-OD1 3.1Å; P339-N341 PolarHBondContact O-N 3.31Å; N341-S391 CarbonylContact O-C 3.54Å; N341-S391 WeakPolarHBondContact O-CA 3.38Å; N341-S392 VanDerWaalsContact CA-OG 3.23Å; N341-S392 WeakPolarHBondContact CA-OG 3.42Å; N341-S392 PolarHBondContact O-N 2.82Å; N341-S392 PolarHBondContact O-OG 3.4Å; N341-S392 VanDerWaalsContact O-OG 3.11Å; N341-V393 HydrophobicContact CB-CB 3.78Å; N341-V393 HydrophobicContact CB-CG2 3.71Å; N341-V393 PolarHBondContact O-N 3.4Å
342V72.2Confident83.4Confident29 Ų2949.1 Ų49.118%0.17625%0.248CC..EExtended strand (participates in β ladder)trans-120.6121.5177.1-178.50000109P339 K340 L344 M389 V390 S392P339-V342 HydrophobicContact CB-CG2 4.32Å; P339-V342 PolarHBondContact O-N 2.93Å; K340-V342 VanDerWaalsContact C-N 3.3Å; V342-L344 HydrophobicContact CG1-CD2 4.17Å; V342-M389 HydrophobicContact CG1-CB 3.66Å; V342-M389 HydrophobicContact CG1-CG 3.92Å; V342-M389 HydrophobicContact CG1-SD 4.46Å; V342-V390 CarbonylContact C-O 3.23Å; V342-S392 PolarHBondContact N-OG 3.37Å
343T81.8Confident81.9Confident53 Ų5354 Ų5433%0.32528%0.28SS..EExtended strand (participates in β ladder)trans-92.4123.4163.741.90000109.7V390T343-V390 PolarHBondContact N-O 3.41Å; T343-V390 WeakPolarHBondContact O-CA 3.37Å; T343-V390 WeakPolarHBondContact O-CB 3.43Å; T343-V390 PolarHBondContact O-N 3.18Å; T343-V390 VanDerWaalsContact O-O 3.1Å; T343-V390 PolarHBondContact OG1-O 3.38Å
344L88.5Confident80.4Confident9 Ų957.9 Ų57.95%0.04730%0.304CS..EExtended strand (participates in β ladder)trans-78.1137.9172.8-60.7178.4000110.2L308 H335 Q338 V342 R370 T375 V387 L388 M389L308-L344 HydrophobicContact CD1-CD2 4.38Å; L308-L344 HydrophobicContact CD2-CD1 4.32Å; L308-L344 HydrophobicContact CD2-CD2 4.2Å; H335-L344 VanDerWaalsContact NE2-CD1 3.26Å; H335-L344 WeakPolarHBondContact NE2-CD1 3.32Å; Q338-L344 HydrophobicContact CG-CD1 4.02Å; Q338-L344 HydrophobicContact CG-CD2 4.3Å; Q338-L344 HydrophobicContact CG-CG 4.48Å; V342-L344 HydrophobicContact CG1-CD2 4.17Å; L344-R370 PolarHBondContact O-NE 2.9Å; L344-R370 PolarHBondContact O-NH2 2.76Å; L344-T375 HydrophobicContact CB-CG2 4.35Å; L344-T375 WeakPolarHBondContact CD1-OG1 3.13Å; L344-V387 HydrophobicContact CB-CG1 3.78Å; L344-V387 HydrophobicContact CD2-CG1 4.09Å; L344-V387 HydrophobicContact CG-CG1 4.35Å; L344-L388 CarbonylContact C-O 3.59Å; L344-L388 WeakPolarHBondContact CA-O 3.47Å; L344-M389 HydrophobicContact CD2-CG 4.14Å
345Q90.5Very high78.8Confident63 Ų6360.9 Ų60.929%0.29432%0.321SS..EExtended strand (participates in β ladder)trans-137.3126.7177.7-172.3170.27.600110.7V347 S363 V387 L388 V390Q345-V347 HydrophobicContact CG-CG1 4.38Å; Q345-V347 PolarHBondContact O-N 3.11Å; Q345-S363 PolarHBondContact NE2-OG 3.47Å; Q345-V387 CarbonylContact O-C 3.58Å; Q345-L388 PolarHBondContact N-O 3.35Å; Q345-L388 PolarHBondContact O-N 3.29Å; Q345-V390 HydrophobicContact CB-CG2 4.15Å
346C94.9Very high77.5Confident1 Ų165.8 Ų65.81%0.00736%0.357CS..EExtended strand (participates in β ladder)trans-71.6127.5174-59.20000110C366 T368 C377C346-C366 HydrophobicContact CB-CB 4.46Å; C346-T368 VanDerWaalsContact CB-OG1 3.31Å; C346-T368 WeakPolarHBondContact CB-OG1 3.33Å; C346-T368 PolarHBondContact N-OG1 3.41Å; C346-T368 PolarHBondContact SG-OG1 2.81Å; C346-C377 HydrophobicContact CB-CB 3.51Å; C346-C377 WeakPolarHBondContact CB-SG 3.3Å; C346-C377 WeakPolarHBondContact SG-CA 3.24Å; C346-C377 WeakPolarHBondContact SG-CB 3.46Å; C346-C377 CovalentContact SG-SG 2.01Å; C346-C377 PolarHBondContact SG-SG 3.48Å
347V94.5Very high76.5Confident6 Ų662.8 Ų62.84%0.03635%0.345CS..EExtended strand (participates in β ladder)trans-135.7159.8-179.3-64.40000110.3Q345 W361 S362 F385 A386 L388Q345-V347 HydrophobicContact CG-CG1 4.38Å; Q345-V347 PolarHBondContact O-N 3.11Å; V347-W361 HydrophobicContact CB-CB 4.18Å; V347-W361 HydrophobicContact CB-CE3 4.31Å; V347-W361 HydrophobicContact CG1-CB 4.49Å; V347-W361 HydrophobicContact CG2-CB 4.16Å; V347-W361 HydrophobicContact CG2-CD2 4Å; V347-W361 HydrophobicContact CG2-CE3 3.66Å; V347-W361 HydrophobicContact CG2-CG 4.24Å; V347-W361 HydrophobicContact CG2-CZ3 4.36Å; V347-S362 CarbonylContact C-O 3.25Å; V347-S362 VanDerWaalsContact CA-O 3.26Å; V347-S362 WeakPolarHBondContact CA-O 3.28Å; V347-S362 WeakPolarHBondContact CB-O 3.47Å; V347-F385 WeakPolarHBondContact O-CA 3.39Å; V347-A386 HydrophobicContact CG2-CB 4.15Å; V347-A386 WeakPolarHBondContact CG2-O 3.42Å; V347-A386 PolarHBondContact N-O 3.15Å; V347-A386 PolarHBondContact O-N 2.98Å; V347-A386 VanDerWaalsContact O-O 3.12Å; V347-L388 HydrophobicContact CG1-CB 4.23Å; V347-L388 HydrophobicContact CG2-CB 3.99Å
348F93.8Very high75.9Confident30 Ų3060.2 Ų60.213%0.13234%0.336CS..EExtended strand (participates in β ladder)trans-124.6154.6170.477.5-82.2000110.7V350 S362 A364 H381 T383 Y384 F385F348-V350 HydrophobicContact CD2-CG2 4.06Å; F348-V350 HydrophobicContact CE1-CG2 4.48Å; F348-V350 HydrophobicContact CE2-CG2 3.34Å; F348-V350 HydrophobicContact CZ-CG2 3.59Å; F348-S362 WeakPolarHBondContact CD1-O 3.28Å; F348-S362 PolarHBondContact N-O 2.03Å; F348-S362 PolarHBondContact O-N 2.96Å; F348-A364 HydrophobicContact CE1-CB 4.06Å; F348-A364 WeakPolarHBondContact CE1-O 3.46Å; F348-H381 AromaticContact CD1-CE1 3.71Å; F348-H381 AromaticContact CD1-NE2 3.4Å; F348-H381 WeakPolarHBondContact CD1-NE2 3.12Å; F348-H381 AromaticContact CD2-NE2 3.63Å; F348-H381 AromaticContact CE1-CE1 3.95Å; F348-H381 AromaticContact CE1-NE2 3.87Å; F348-H381 AromaticContact CG-NE2 3.27Å; F348-H381 VanDerWaalsContact CG-NE2 3.27Å; F348-H381 WeakPolarHBondContact CG-NE2 3.19Å; F348-T383 WeakPolarHBondContact CB-OG1 3.01Å; F348-T383 HydrophobicContact CD2-CG2 4.31Å; F348-Y384 CarbonylContact C-O 2.94Å; F348-Y384 WeakPolarHBondContact CA-O 3.42Å; F348-F385 HydrophobicContact CB-CD1 3.74Å; F348-F385 HydrophobicContact CB-CE1 3.81Å
349W92Very high76.1Confident16 Ų1659 Ų596%0.06133%0.332CS..EExtended strand (participates in β ladder)trans-81.6123.8179.9-174.2-114000111.3F299 D301 G359 W361 Y384F299-W349 HydrophobicContact CB-CD2 4.28Å; F299-W349 HydrophobicContact CB-CE3 4.05Å; F299-W349 HydrophobicContact CB-CZ3 4.19Å; F299-W349 HydrophobicContact CD1-CB 4.04Å; F299-W349 AromaticContact CD1-CD1 3.78Å; F299-W349 AromaticContact CD1-CD2 3.73Å; F299-W349 HydrophobicContact CD1-CD2 3.73Å; F299-W349 HydrophobicContact CD1-CE3 4.3Å; F299-W349 AromaticContact CD1-CG 3.59Å; F299-W349 HydrophobicContact CD1-CG 3.59Å; F299-W349 HydrophobicContact CE1-CB 4.38Å; F299-W349 HydrophobicContact CE1-CG 4.12Å; D301-W349 HydrophobicContact CB-CZ3 4.34Å; W349-G359 WeakPolarHBondContact CH2-O 3.17Å; W349-G359 VanDerWaalsContact CZ2-CA 3.47Å; W349-W361 HydrophobicContact CB-CE3 4.18Å; W349-W361 HydrophobicContact CB-CH2 4.32Å; W349-W361 HydrophobicContact CB-CZ3 3.72Å; W349-W361 AromaticContact CE3-CD2 3.71Å; W349-W361 HydrophobicContact CE3-CD2 3.71Å; W349-W361 AromaticContact CE3-CE2 3.69Å; W349-W361 AromaticContact CE3-CE3 3.85Å; W349-W361 HydrophobicContact CE3-CE3 3.85Å; W349-W361 HydrophobicContact CE3-CG 4.35Å; W349-W361 AromaticContact CE3-CH2 3.98Å; W349-W361 HydrophobicContact CE3-CH2 3.98Å; W349-W361 AromaticContact CE3-CZ2 3.86Å; W349-W361 HydrophobicContact CE3-CZ2 3.86Å; W349-W361 AromaticContact CE3-CZ3 3.97Å; W349-W361 HydrophobicContact CE3-CZ3 3.97Å; W349-W361 HydrophobicContact CZ3-CD2 4.17Å; W349-W361 AromaticContact CZ3-CE2 3.87Å; W349-W361 HydrophobicContact CZ3-CG 4.47Å; W349-W361 HydrophobicContact CZ3-CZ2 4.23Å; W349-W361 AromaticContact CZ3-NE1 3.95Å; W349-Y384 PolarHBondContact N-O 3.14Å
350V88.2Confident77Confident36 Ų3659.7 Ų59.722%0.21833%0.329CS..EExtended strand (participates in β ladder)trans-103.9117172-176.30000108.8F348 G359 H360F348-V350 HydrophobicContact CD2-CG2 4.06Å; F348-V350 HydrophobicContact CE1-CG2 4.48Å; F348-V350 HydrophobicContact CE2-CG2 3.34Å; F348-V350 HydrophobicContact CZ-CG2 3.59Å; V350-G359 CarbonylContact O-C 3.59Å; V350-G359 VanDerWaalsContact O-CA 3.28Å; V350-G359 WeakPolarHBondContact O-CA 3.37Å; V350-H360 WeakPolarHBondContact CB-O 3.23Å; V350-H360 VanDerWaalsContact CG1-CE1 3.45Å; V350-H360 WeakPolarHBondContact CG1-CE1 3.28Å; V350-H360 PolarHBondContact N-O 2.65Å; V350-H360 PolarHBondContact O-N 3.42Å
351E81.9Confident78.1Confident63 Ų6351 Ų5129%0.29429%0.291SS..PPolyproline II helixtrans-79.5127.5172-63.4-175.5174.600110.5S206 Q210S206-E351 WeakPolarHBondContact CB-OE2 3.28Å; Q210-E351 PolarHBondContact NE2-OE2 3.47Å
352D71Confident79.6Confident47 Ų4749.6 Ų49.625%0.25129%0.286SS..PPolyproline II helixtrans-78.1129.8170.4-74.6-26.3000109.4T354 S357 H360D352-T354 PolarHBondContact O-N 3.28Å; D352-S357 WeakPolarHBondContact OD2-CB 3.5Å; D352-S357 PolarHBondContact OD2-OG 3.46Å; D352-H360 IonicContact OD1-CE1 3.18Å; D352-H360 IonicContact OD1-ND1 2.65Å
353P64.2Low80.5Confident123 Ų12350.7 Ų50.780%0.79930%0.295SS*.SBendtrans-69.4-21.2179.526.4-33000112.6
354T62.6Low80.8Confident82 Ų8250.9 Ų50.950%0.50330%0.301SS..SBendtrans-80.3116.4173.5560000109.2D352 S356 S357D352-T354 PolarHBondContact O-N 3.28Å; T354-S356 PolarHBondContact O-N 3.15Å; T354-S357 PolarHBondContact O-N 3.38Å
355L59.8Low80.9Confident138 Ų13852.2 Ų52.272%0.72332%0.318SS*.THydrogen-bonded Turntrans-53.6-9.9177.9-100.777.4000115.1P204P204-L355 HydrophobicContact CG-CD2 4.45Å
356S60.6Low81.1Confident110 Ų11050 Ų5077%0.76931%0.309SS*.THydrogen-bonded Turntrans-85.1-12.5-177.356.40000115.1T354T354-S356 PolarHBondContact O-N 3.15Å
357S63.5Low81Confident24 Ų2456.5 Ų56.517%0.16834%0.339CS..SBendtrans-117.4124.4-176.7-169.30000110.3K302 D352 T354 G359K302-S357 VanDerWaalsContact CE-OG 3.27Å; K302-S357 WeakPolarHBondContact CE-OG 3.32Å; K302-S357 PolarHBondContact NZ-OG 2.94Å; K302-S357 VanDerWaalsContact NZ-OG 3.12Å; D352-S357 WeakPolarHBondContact OD2-CB 3.5Å; D352-S357 PolarHBondContact OD2-OG 3.46Å; T354-S357 PolarHBondContact O-N 3.38Å; S357-G359 PolarHBondContact O-N 3.12Å
358P67.5Low81Confident68 Ų6857.3 Ų57.344%0.44234%0.344SS..  trans-64.2129.7165.330.3-31.7000106.1Q300 K302Q300-P358 WeakPolarHBondContact O-CB 3.42Å; K302-P358 HydrophobicContact CG-CG 3.96Å
359G79.2Confident81Confident7 Ų758.7 Ų58.77%0.07236%0.355CS..  trans-54-179.6-173.900000114.1D301 W349 V350 S357D301-G359 WeakPolarHBondContact CA-O 3.33Å; W349-G359 WeakPolarHBondContact CH2-O 3.17Å; W349-G359 VanDerWaalsContact CZ2-CA 3.47Å; V350-G359 CarbonylContact O-C 3.59Å; V350-G359 VanDerWaalsContact O-CA 3.28Å; V350-G359 WeakPolarHBondContact O-CA 3.37Å; S357-G359 PolarHBondContact O-N 3.12Å
360H85.3Confident80.9Confident82 Ų8263.9 Ų63.938%0.3837%0.374SS..EExtended strand (participates in β ladder)trans-134.6155-175.265.7-83.8000112.8V350 D352V350-H360 WeakPolarHBondContact CB-O 3.23Å; V350-H360 VanDerWaalsContact CG1-CE1 3.45Å; V350-H360 WeakPolarHBondContact CG1-CE1 3.28Å; V350-H360 PolarHBondContact N-O 2.65Å; V350-H360 PolarHBondContact O-N 3.42Å; D352-H360 IonicContact OD1-CE1 3.18Å; D352-H360 IonicContact OD1-ND1 2.65Å
361W89.9Confident80.9Confident26 Ų2670 Ų7010%0.09839%0.394CS..EExtended strand (participates in β ladder)trans-80.7133.7171.7-63.1112.9000110.6F299 V307 V312 V347 W349 A386F299-W361 HydrophobicContact CB-CH2 3.56Å; F299-W361 HydrophobicContact CB-CZ2 3.33Å; F299-W361 HydrophobicContact CD1-CH2 4.23Å; F299-W361 AromaticContact CG-CH2 3.99Å; F299-W361 HydrophobicContact CG-CH2 3.99Å; F299-W361 HydrophobicContact CG-CZ2 4.25Å; F299-W361 WeakPolarHBondContact O-CZ2 3.22Å; V307-W361 HydrophobicContact CG2-CH2 4.49Å; V307-W361 HydrophobicContact CG2-CZ2 3.82Å; V312-W361 HydrophobicContact CG1-CH2 4.28Å; V312-W361 HydrophobicContact CG2-CH2 4.16Å; V347-W361 HydrophobicContact CB-CB 4.18Å; V347-W361 HydrophobicContact CB-CE3 4.31Å; V347-W361 HydrophobicContact CG1-CB 4.49Å; V347-W361 HydrophobicContact CG2-CB 4.16Å; V347-W361 HydrophobicContact CG2-CD2 4Å; V347-W361 HydrophobicContact CG2-CE3 3.66Å; V347-W361 HydrophobicContact CG2-CG 4.24Å; V347-W361 HydrophobicContact CG2-CZ3 4.36Å; W349-W361 HydrophobicContact CB-CE3 4.18Å; W349-W361 HydrophobicContact CB-CH2 4.32Å; W349-W361 HydrophobicContact CB-CZ3 3.72Å; W349-W361 AromaticContact CE3-CD2 3.71Å; W349-W361 HydrophobicContact CE3-CD2 3.71Å; W349-W361 AromaticContact CE3-CE2 3.69Å; W349-W361 AromaticContact CE3-CE3 3.85Å; W349-W361 HydrophobicContact CE3-CE3 3.85Å; W349-W361 HydrophobicContact CE3-CG 4.35Å; W349-W361 AromaticContact CE3-CH2 3.98Å; W349-W361 HydrophobicContact CE3-CH2 3.98Å; W349-W361 AromaticContact CE3-CZ2 3.86Å; W349-W361 HydrophobicContact CE3-CZ2 3.86Å; W349-W361 AromaticContact CE3-CZ3 3.97Å; W349-W361 HydrophobicContact CE3-CZ3 3.97Å; W349-W361 HydrophobicContact CZ3-CD2 4.17Å; W349-W361 AromaticContact CZ3-CE2 3.87Å; W349-W361 HydrophobicContact CZ3-CG 4.47Å; W349-W361 HydrophobicContact CZ3-CZ2 4.23Å; W349-W361 AromaticContact CZ3-NE1 3.95Å; W361-A386 HydrophobicContact CE3-CB 4.48Å; W361-A386 HydrophobicContact CH2-CB 3.79Å; W361-A386 HydrophobicContact CZ2-CB 4.47Å; W361-A386 HydrophobicContact CZ3-CB 3.79Å
362S89.3Confident81Confident29 Ų2974.5 Ų74.520%0.20342%0.415CS..EExtended strand (participates in β ladder)trans-129.1144.3174.3-179.50000110.5V347 F348 A364V347-S362 CarbonylContact C-O 3.25Å; V347-S362 VanDerWaalsContact CA-O 3.26Å; V347-S362 WeakPolarHBondContact CA-O 3.28Å; V347-S362 WeakPolarHBondContact CB-O 3.47Å; F348-S362 WeakPolarHBondContact CD1-O 3.28Å; F348-S362 PolarHBondContact N-O 2.03Å; F348-S362 PolarHBondContact O-N 2.96Å; S362-A364 WeakPolarHBondContact OG-CB 3.32Å; S362-A364 PolarHBondContact OG-N 2.69Å
363S90.7Very high81.9Confident52 Ų5276.1 Ų76.136%0.36443%0.426SS..  trans-98.68.2173.267.30000112.7Q345 G365 C366Q345-S363 PolarHBondContact NE2-OG 3.47Å; S363-G365 PolarHBondContact O-N 2.61Å; S363-C366 PolarHBondContact O-N 3.47Å
364A89.6Confident83.3Confident56 Ų5672.1 Ų72.146%0.46340%0.397SS..THydrogen-bonded Turntrans-64.5129.8-175.600000111.4F348 S362 C366 H381F348-A364 HydrophobicContact CE1-CB 4.06Å; F348-A364 WeakPolarHBondContact CE1-O 3.46Å; S362-A364 WeakPolarHBondContact OG-CB 3.32Å; S362-A364 PolarHBondContact OG-N 2.69Å; A364-C366 PolarHBondContact O-N 2.86Å; A364-H381 PolarHBondContact O-CE1 3.27Å; A364-H381 VanDerWaalsContact O-CE1 3.23Å
365G90Very high84.8Confident38 Ų3868.2 Ų68.239%0.39237%0.373SS..THydrogen-bonded Turntrans74.48.5179.700000115.2S363 C379 N380S363-G365 PolarHBondContact O-N 2.61Å; G365-C379 WeakPolarHBondContact O-CA 3.3Å; G365-N380 WeakPolarHBondContact CA-OD1 3.22Å; G365-N380 PolarHBondContact O-N 2.88Å; G365-N380 PolarHBondContact O-OD1 2.9Å
366C93.8Very high86.5Confident17 Ų1762.3 Ų62.312%0.11534%0.343CS..EExtended strand (participates in β ladder)trans-121.6125.7174.4-710000111.3C346 S363 A364 F378 C379C346-C366 HydrophobicContact CB-CB 4.46Å; S363-C366 PolarHBondContact O-N 3.47Å; A364-C366 PolarHBondContact O-N 2.86Å; C366-F378 CarbonylContact C-O 3.51Å; C366-F378 VanDerWaalsContact CA-O 3.31Å; C366-F378 WeakPolarHBondContact CA-O 3.39Å; C366-C379 HydrophobicContact CB-CB 4.23Å; C366-C379 WeakPolarHBondContact CB-SG 3.01Å; C366-C379 WeakPolarHBondContact SG-CB 3.49Å; C366-C379 CovalentContact SG-SG 2.05Å; C366-C379 PolarHBondContact SG-SG 3.19Å
367E94.7Very high88.2Confident136 Ų13657.1 Ų57.164%0.63631%0.307SS*.EExtended strand (participates in β ladder)trans-100.3135.6172.7-170.8176.4-177.400110.4C377 F378E367-C377 WeakPolarHBondContact O-CA 3.27Å; E367-F378 HydrophobicContact CB-CB 4.3Å; E367-F378 PolarHBondContact N-O 3.4Å; E367-F378 PolarHBondContact O-N 3.45Å
368T94.2Very high89.8Confident23 Ų2359.1 Ų59.114%0.14131%0.312CS..EExtended strand (participates in β ladder)trans-106.5117.6-177.4-52.20000110.9C346 R370 T375C346-T368 VanDerWaalsContact CB-OG1 3.31Å; C346-T368 WeakPolarHBondContact CB-OG1 3.33Å; C346-T368 PolarHBondContact N-OG1 3.41Å; C346-T368 PolarHBondContact SG-OG1 2.81Å; T368-R370 HydrophobicContact CG2-CG 3.85Å; T368-T375 HydrophobicContact CG2-CG2 3.93Å
369V93.4Very high91.1Very high59 Ų5955.9 Ų55.936%0.35829%0.291SS..EExtended strand (participates in β ladder)trans-104.8118.7170.7178.50000108.9S376 F378V369-S376 PolarHBondContact N-O 3.04Å; V369-S376 PolarHBondContact O-N 3.5Å; V369-F378 HydrophobicContact CB-CE2 3.98Å; V369-F378 HydrophobicContact CG2-CD2 3.88Å; V369-F378 HydrophobicContact CG2-CE2 3.5Å
370R89.6Confident91.9Very high126 Ų12657.7 Ų57.748%0.47530%0.3SS..EExtended strand (participates in β ladder)trans-104.9137.4-173.2-56.1171.6-176.182.47.2110.6L344 T368L344-R370 PolarHBondContact O-NE 2.9Å; L344-R370 PolarHBondContact O-NH2 2.76Å; T368-R370 HydrophobicContact CG2-CG 3.85Å
371R88.4Confident92.3Very high165 Ų16554.5 Ų54.562%0.62329%0.285SS*.  trans-131.9170.5166.1-59.6176.8171.7177.3-7108.2T373 Q374R371-T373 PolarHBondContact O-N 2.99Å; R371-Q374 CarbonylContact C-O 3.5Å; R371-Q374 VanDerWaalsContact CA-O 3.3Å; R371-Q374 WeakPolarHBondContact CA-O 3.49Å; R371-Q374 HydrophobicContact CB-CB 4.2Å; R371-Q374 VanDerWaalsContact CB-O 3.26Å; R371-Q374 WeakPolarHBondContact CB-O 3.45Å; R371-Q374 PolarHBondContact N-O 2.67Å; R371-Q374 VanDerWaalsContact O-O 3.13Å
372E84.7Confident92.4Very high157 Ų15754 Ų5473%0.73428%0.284SS*.SBendtrans-62.4-39.2-173.1-63.5-170.8158.700113.6H335 L337H335-E372 PolarHBondContact CE1-O 3.41Å; L337-E372 HydrophobicContact CD1-CB 3.94Å
373T89.2Confident92.6Very high81 Ų8154.2 Ų54.250%0.49728%0.284SS..SBendtrans-121.611.6-177.8560000112.8H335 R371H335-T373 PolarHBondContact N-O 3.4Å; H335-T373 CarbonylContact O-C 3.58Å; H335-T373 WeakPolarHBondContact O-CA 3.26Å; H335-T373 VanDerWaalsContact O-O 3.11Å; R371-T373 PolarHBondContact O-N 2.99Å
374Q92.9Very high92.8Very high39 Ų3952.2 Ų52.218%0.18227%0.269CS..EExtended strand (participates in β ladder)trans-151.1135.5-174.8178.2179.171.300110.8T332 F333 H335 R371T332-Q374 HydrophobicContact CG2-CG 3.5Å; T332-Q374 VanDerWaalsContact CG2-NE2 3.26Å; F333-Q374 CarbonylContact O-C 3.48Å; F333-Q374 WeakPolarHBondContact O-CA 3.43Å; H335-Q374 PolarHBondContact NE2-N 2.88Å; R371-Q374 CarbonylContact C-O 3.5Å; R371-Q374 VanDerWaalsContact CA-O 3.3Å; R371-Q374 WeakPolarHBondContact CA-O 3.49Å; R371-Q374 HydrophobicContact CB-CB 4.2Å; R371-Q374 VanDerWaalsContact CB-O 3.26Å; R371-Q374 WeakPolarHBondContact CB-O 3.45Å; R371-Q374 PolarHBondContact N-O 2.67Å; R371-Q374 VanDerWaalsContact O-O 3.13Å
375T93.7Very high93.1Very high0 Ų049.7 Ų49.70%025%0.248CC..EExtended strand (participates in β ladder)trans-126.7126.8172.2-67.20000110T332 F333 H335 L344 T368 V387T332-T375 WeakPolarHBondContact CA-O 3.35Å; F333-T375 PolarHBondContact N-O 3.46Å; F333-T375 PolarHBondContact O-N 3.49Å; H335-T375 PolarHBondContact NE2-OG1 2.88Å; L344-T375 HydrophobicContact CB-CG2 4.35Å; L344-T375 WeakPolarHBondContact CD1-OG1 3.13Å; T368-T375 HydrophobicContact CG2-CG2 3.93Å; T375-V387 HydrophobicContact CG2-CG1 4.18Å; T375-V387 HydrophobicContact CG2-CG2 4.35Å
376S96.2Very high93.3Very high13 Ų1348 Ų489%0.09123%0.229CC..EExtended strand (participates in β ladder)trans-111.1130.8178.6-63.30000110.7L331 T332 V369L331-S376 CarbonylContact O-C 3.55Å; L331-S376 VanDerWaalsContact O-CA 3.28Å; L331-S376 WeakPolarHBondContact O-CA 3.45Å; T332-S376 WeakPolarHBondContact CG2-OG 3.49Å; T332-S376 PolarHBondContact OG1-OG 3.47Å; T332-S376 VanDerWaalsContact OG1-OG 3.05Å; V369-S376 PolarHBondContact N-O 3.04Å; V369-S376 PolarHBondContact O-N 3.5Å
377C96.9Very high93.3Very high2 Ų247.2 Ų47.21%0.01422%0.224CC..EExtended strand (participates in β ladder)trans-109.8122.3178.6-52.60000109.6V330 L331 C346 E367V330-C377 WeakPolarHBondContact CA-O 3.22Å; L331-C377 HydrophobicContact CB-CB 4.12Å; L331-C377 HydrophobicContact CD1-CB 3.93Å; L331-C377 PolarHBondContact N-O 2.9Å; L331-C377 PolarHBondContact O-N 3.37Å; C346-C377 HydrophobicContact CB-CB 3.51Å; C346-C377 WeakPolarHBondContact CB-SG 3.3Å; C346-C377 WeakPolarHBondContact SG-CA 3.24Å; C346-C377 WeakPolarHBondContact SG-CB 3.46Å; C346-C377 CovalentContact SG-SG 2.01Å; C346-C377 PolarHBondContact SG-SG 3.48Å; E367-C377 WeakPolarHBondContact O-CA 3.27Å
378F96.3Very high93.1Very high65 Ų6541.6 Ų41.629%0.28520%0.198SC..EExtended strand (participates in β ladder)trans-106.399.9176-64.2-95.9000108.5P328 V329 V330 C366 E367 V369P328-F378 HydrophobicContact CB-CB 4.07Å; P328-F378 HydrophobicContact CG-CB 4.3Å; P328-F378 HydrophobicContact CG-CD1 4.01Å; V329-F378 WeakPolarHBondContact O-CA 3.28Å; V330-F378 HydrophobicContact CB-CD1 4.46Å; V330-F378 HydrophobicContact CB-CE1 4.34Å; V330-F378 HydrophobicContact CG1-CD1 4.19Å; V330-F378 HydrophobicContact CG1-CE1 3.78Å; V330-F378 HydrophobicContact CG1-CZ 3.97Å; V330-F378 HydrophobicContact CG2-CD1 3.66Å; V330-F378 HydrophobicContact CG2-CE1 3.61Å; C366-F378 CarbonylContact C-O 3.51Å; C366-F378 VanDerWaalsContact CA-O 3.31Å; C366-F378 WeakPolarHBondContact CA-O 3.39Å; E367-F378 HydrophobicContact CB-CB 4.3Å; E367-F378 PolarHBondContact N-O 3.4Å; E367-F378 PolarHBondContact O-N 3.45Å; V369-F378 HydrophobicContact CB-CE2 3.98Å; V369-F378 HydrophobicContact CG2-CD2 3.88Å; V369-F378 HydrophobicContact CG2-CE2 3.5Å
379C96.2Very high92.5Very high0 Ų041.6 Ų41.60%020%0.197CC..EExtended strand (participates in β ladder)trans-112.3139.7-174-65.40000111.8P328 V329 G365 C366 F385P328-C379 CarbonylContact C-O 3.5Å; P328-C379 WeakPolarHBondContact CA-O 3.44Å; V329-C379 PolarHBondContact N-O 3.03Å; V329-C379 PolarHBondContact O-N 3.4Å; G365-C379 WeakPolarHBondContact O-CA 3.3Å; C366-C379 HydrophobicContact CB-CB 4.23Å; C366-C379 WeakPolarHBondContact CB-SG 3.01Å; C366-C379 WeakPolarHBondContact SG-CB 3.49Å; C366-C379 CovalentContact SG-SG 2.05Å; C366-C379 PolarHBondContact SG-SG 3.19Å; C379-F385 HydrophobicContact CB-CD1 4.43Å; C379-F385 HydrophobicContact CB-CE1 3.74Å; C379-F385 HydrophobicContact CB-CZ 4.07Å; C379-F385 VanDerWaalsContact SG-CE1 3.58Å
380N94.5Very high91.7Very high46 Ų4641.1 Ų41.125%0.24619%0.194CC..SBendtrans-94.513.5-177.572.9-8.3000114.4A323 N324 L325 G365A323-N380 CarbonylContact C-O 3.51Å; N324-N380 PolarHBondContact N-O 2.87Å; L325-N380 WeakPolarHBondContact CB-O 3.42Å; L325-N380 WeakPolarHBondContact CG-O 3.28Å; L325-N380 PolarHBondContact N-O 2.86Å; G365-N380 WeakPolarHBondContact CA-OD1 3.22Å; G365-N380 PolarHBondContact O-N 2.88Å; G365-N380 PolarHBondContact O-OD1 2.9Å
381H93.8Very high90.3Very high14 Ų1438.4 Ų38.47%0.06519%0.194CC..SBendtrans-147.6174.4-176.857.9-85.8000110.3V322 A323 F348 A364 T383 F385V322-H381 VanDerWaalsContact O-CA 3.29Å; V322-H381 WeakPolarHBondContact O-CA 3.44Å; V322-H381 VanDerWaalsContact O-CB 3.29Å; V322-H381 WeakPolarHBondContact O-CB 3.18Å; A323-H381 HydrophobicContact CB-CB 4.21Å; F348-H381 AromaticContact CD1-CE1 3.71Å; F348-H381 AromaticContact CD1-NE2 3.4Å; F348-H381 WeakPolarHBondContact CD1-NE2 3.12Å; F348-H381 AromaticContact CD2-NE2 3.63Å; F348-H381 AromaticContact CE1-CE1 3.95Å; F348-H381 AromaticContact CE1-NE2 3.87Å; F348-H381 AromaticContact CG-NE2 3.27Å; F348-H381 VanDerWaalsContact CG-NE2 3.27Å; F348-H381 WeakPolarHBondContact CG-NE2 3.19Å; A364-H381 PolarHBondContact O-CE1 3.27Å; A364-H381 VanDerWaalsContact O-CE1 3.23Å; H381-T383 PolarHBondContact CD2-OG1 2.89Å; H381-T383 VanDerWaalsContact CD2-OG1 3.28Å; H381-T383 PolarHBondContact NE2-OG1 2.98Å; H381-F385 AromaticContact CD2-CE1 3.93Å; H381-F385 AromaticContact CD2-CZ 3.94Å; H381-F385 AromaticContact NE2-CE1 3.57Å; H381-F385 VanDerWaalsContact O-CZ 3.27Å; H381-F385 WeakPolarHBondContact O-CZ 3.46Å
382L92.8Very high88.6Confident15 Ų1533 Ų338%0.07918%0.182CC..  trans-121.8120.6177.4-66.2-174.2000110.6L269 L273 I315 V317 V322 V329L269-L382 HydrophobicContact CD2-CD2 3.99Å; L273-L382 HydrophobicContact CD1-CD1 3.69Å; L273-L382 HydrophobicContact CD1-CG 4.47Å; L273-L382 HydrophobicContact CD2-CD1 3.88Å; L273-L382 HydrophobicContact CG-CD1 4.42Å; I315-L382 HydrophobicContact CB-CD2 4.11Å; I315-L382 HydrophobicContact CG2-CD1 4.3Å; I315-L382 HydrophobicContact CG2-CD2 3.7Å; I315-L382 HydrophobicContact CG2-CG 4.48Å; I315-L382 CarbonylContact O-C 3.56Å; I315-L382 WeakPolarHBondContact O-CB 3.27Å; V317-L382 HydrophobicContact CG2-CD1 3.71Å; V322-L382 HydrophobicContact CB-CB 4.14Å; V322-L382 HydrophobicContact CB-CD1 3.98Å; V322-L382 HydrophobicContact CB-CG 4.01Å; V322-L382 HydrophobicContact CG1-CD1 4.24Å; V322-L382 HydrophobicContact CG1-CG 4.16Å; V322-L382 HydrophobicContact CG2-CD1 4.04Å; V322-L382 PolarHBondContact O-N 3.33Å; V322-L382 VanDerWaalsContact O-N 3.08Å; V329-L382 HydrophobicContact CG2-CD2 3.7Å
383T92.8Very high86.9Confident35 Ų3528.5 Ų28.522%0.21517%0.165CC..SBendtrans-160-156.7-177.848.70000109.7G314 I315 F348 H381 F385G314-T383 WeakPolarHBondContact CA-O 3.08Å; I315-T383 PolarHBondContact N-O 3.1Å; I315-T383 PolarHBondContact O-N 2.85Å; F348-T383 WeakPolarHBondContact CB-OG1 3.01Å; F348-T383 HydrophobicContact CD2-CG2 4.31Å; H381-T383 PolarHBondContact CD2-OG1 2.89Å; H381-T383 VanDerWaalsContact CD2-OG1 3.28Å; H381-T383 PolarHBondContact NE2-OG1 2.98Å; T383-F385 WeakPolarHBondContact O-CD2 3.19Å; T383-F385 WeakPolarHBondContact O-CE2 3.33Å; T383-F385 WeakPolarHBondContact OG1-CE1 3.11Å; T383-F385 WeakPolarHBondContact OG1-CZ 3.15Å
384Y94.4Very high85Confident10 Ų1029.8 Ų29.84%0.03917%0.166CC..EExtended strand (participates in β ladder)trans-90.3116.9167.7-61.8-85.8000110.8L209 E213 F293 F299 L313 F348 W349L209-Y384 HydrophobicContact CD1-CD2 4.49Å; L209-Y384 HydrophobicContact CD1-CE2 4.15Å; L209-Y384 HydrophobicContact CD2-CE1 4.05Å; L209-Y384 HydrophobicContact CD2-CE2 4.5Å; E213-Y384 WeakPolarHBondContact OE1-CE2 3.4Å; E213-Y384 PolarHBondContact OE1-OH 3.18Å; F293-Y384 HydrophobicContact CE2-CD1 4.22Å; F293-Y384 AromaticContact CE2-CE1 3.86Å; F293-Y384 HydrophobicContact CE2-CE1 3.86Å; F299-Y384 HydrophobicContact CE1-CD1 4.06Å; F299-Y384 HydrophobicContact CE1-CD2 4.42Å; F299-Y384 AromaticContact CE1-CG 3.88Å; F299-Y384 HydrophobicContact CE1-CG 3.88Å; F299-Y384 AromaticContact CZ-CD1 3.79Å; F299-Y384 HydrophobicContact CZ-CD1 3.79Å; F299-Y384 HydrophobicContact CZ-CE1 4.33Å; F299-Y384 HydrophobicContact CZ-CG 4.1Å; L313-Y384 CarbonylContact O-C 3.45Å; L313-Y384 WeakPolarHBondContact O-CA 3.4Å; F348-Y384 CarbonylContact C-O 2.94Å; F348-Y384 WeakPolarHBondContact CA-O 3.42Å; W349-Y384 PolarHBondContact N-O 3.14Å
385F96.2Very high83.2Confident3 Ų328.9 Ų28.91%0.01316%0.163CC..EExtended strand (participates in β ladder)trans-106.9148.6-177.9-59.3-72.5000111.7V312 L313 I315 L331 V347 F348 C379 H381 T383V312-F385 CarbonylContact C-O 3.6Å; V312-F385 WeakPolarHBondContact CA-O 3.37Å; L313-F385 PolarHBondContact N-O 2.99Å; L313-F385 PolarHBondContact O-N 3.2Å; I315-F385 HydrophobicContact CD1-CD2 4.33Å; I315-F385 HydrophobicContact CD1-CE2 4.36Å; L331-F385 HydrophobicContact CD1-CB 4.16Å; L331-F385 HydrophobicContact CD1-CD1 4.26Å; L331-F385 HydrophobicContact CD1-CD2 3.92Å; L331-F385 HydrophobicContact CD1-CE2 4.43Å; L331-F385 HydrophobicContact CD1-CG 3.83Å; L331-F385 HydrophobicContact CD2-CB 4.38Å; L331-F385 HydrophobicContact CD2-CD2 4.08Å; L331-F385 HydrophobicContact CD2-CG 4.44Å; V347-F385 WeakPolarHBondContact O-CA 3.39Å; F348-F385 HydrophobicContact CB-CD1 3.74Å; F348-F385 HydrophobicContact CB-CE1 3.81Å; C379-F385 HydrophobicContact CB-CD1 4.43Å; C379-F385 HydrophobicContact CB-CE1 3.74Å; C379-F385 HydrophobicContact CB-CZ 4.07Å; C379-F385 VanDerWaalsContact SG-CE1 3.58Å; H381-F385 AromaticContact CD2-CE1 3.93Å; H381-F385 AromaticContact CD2-CZ 3.94Å; H381-F385 AromaticContact NE2-CE1 3.57Å; H381-F385 VanDerWaalsContact O-CZ 3.27Å; H381-F385 WeakPolarHBondContact O-CZ 3.46Å; T383-F385 WeakPolarHBondContact O-CD2 3.19Å; T383-F385 WeakPolarHBondContact O-CE2 3.33Å; T383-F385 WeakPolarHBondContact OG1-CE1 3.11Å; T383-F385 WeakPolarHBondContact OG1-CZ 3.15Å
386A94.8Very high81.5Confident1 Ų134 Ų341%0.00819%0.19CC..EExtended strand (participates in β ladder)trans-147.7159.5174.900000110V307 V312 V347 W361V307-A386 HydrophobicContact CG1-CB 3.77Å; V307-A386 HydrophobicContact CG2-CB 4.14Å; V312-A386 HydrophobicContact CG2-CB 4.26Å; V347-A386 HydrophobicContact CG2-CB 4.15Å; V347-A386 WeakPolarHBondContact CG2-O 3.42Å; V347-A386 PolarHBondContact N-O 3.15Å; V347-A386 PolarHBondContact O-N 2.98Å; V347-A386 VanDerWaalsContact O-O 3.12Å; W361-A386 HydrophobicContact CE3-CB 4.48Å; W361-A386 HydrophobicContact CH2-CB 3.79Å; W361-A386 HydrophobicContact CZ2-CB 4.47Å; W361-A386 HydrophobicContact CZ3-CB 3.79Å
387V93.9Very high79.7Confident2 Ų234.1 Ų34.11%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-103.1114167.7-179.30000107.6L308 F333 L344 Q345 T375L308-V387 HydrophobicContact CB-CB 4.07Å; L308-V387 HydrophobicContact CB-CG1 4.24Å; L308-V387 VanDerWaalsContact CB-O 3.27Å; L308-V387 WeakPolarHBondContact CB-O 3.22Å; L308-V387 HydrophobicContact CD2-CB 4.07Å; L308-V387 HydrophobicContact CD2-CG1 3.9Å; L308-V387 PolarHBondContact N-O 3.25Å; F333-V387 HydrophobicContact CD2-CG2 3.43Å; F333-V387 VanDerWaalsContact CD2-CG2 3.43Å; F333-V387 HydrophobicContact CE2-CG2 3.67Å; F333-V387 HydrophobicContact CG-CG2 3.97Å; F333-V387 HydrophobicContact CZ-CG2 4.36Å; L344-V387 HydrophobicContact CB-CG1 3.78Å; L344-V387 HydrophobicContact CD2-CG1 4.09Å; L344-V387 HydrophobicContact CG-CG1 4.35Å; Q345-V387 CarbonylContact O-C 3.58Å; T375-V387 HydrophobicContact CG2-CG1 4.18Å; T375-V387 HydrophobicContact CG2-CG2 4.35Å
388L89.9Confident78.4Confident17 Ų1737.5 Ų37.59%0.08921%0.212CC..EExtended strand (participates in β ladder)trans-84.1135.8178.3-159.173.7000110.8S305 Q306 V307 L344 Q345 V347 V390S305-L388 VanDerWaalsContact CB-CD1 3.44Å; Q306-L388 VanDerWaalsContact O-CD1 3.27Å; Q306-L388 WeakPolarHBondContact O-CD1 3.43Å; V307-L388 HydrophobicContact CG2-CD1 4.18Å; L344-L388 CarbonylContact C-O 3.59Å; L344-L388 WeakPolarHBondContact CA-O 3.47Å; Q345-L388 PolarHBondContact N-O 3.35Å; Q345-L388 PolarHBondContact O-N 3.29Å; V347-L388 HydrophobicContact CG1-CB 4.23Å; V347-L388 HydrophobicContact CG2-CB 3.99Å; L388-V390 HydrophobicContact CD2-CG2 3.97Å; L388-V390 HydrophobicContact CG-CG2 4.4Å; L388-V390 PolarHBondContact O-N 3.03Å
389M81.9Confident77.5Confident23 Ų2337 Ų3711%0.11321%0.21CC..EExtended strand (participates in β ladder)trans-83105.8165.8-67.1-171.5179.900108.8E261 Q306 L308 V342 L344E261-M389 VanDerWaalsContact OE2-CE 3.24Å; E261-M389 WeakPolarHBondContact OE2-CE 3.29Å; Q306-M389 HydrophobicContact CB-CB 4.37Å; Q306-M389 HydrophobicContact CG-CB 4.44Å; Q306-M389 HydrophobicContact CG-SD 4.08Å; Q306-M389 PolarHBondContact O-N 2.94Å; L308-M389 HydrophobicContact CB-CE 4.4Å; L308-M389 HydrophobicContact CB-CG 4.35Å; L308-M389 HydrophobicContact CD1-CE 3.33Å; L308-M389 HydrophobicContact CG-CE 4.44Å; V342-M389 HydrophobicContact CG1-CB 3.66Å; V342-M389 HydrophobicContact CG1-CG 3.92Å; V342-M389 HydrophobicContact CG1-SD 4.46Å; L344-M389 HydrophobicContact CD2-CG 4.14Å
390V76.1Confident76.2Confident49 Ų4938.8 Ų38.830%0.29722%0.218SC..EExtended strand (participates in β ladder)trans-100.3122172.1-175.80000107.5V342 T343 Q345 L388 S392V342-V390 CarbonylContact C-O 3.23Å; T343-V390 PolarHBondContact N-O 3.41Å; T343-V390 WeakPolarHBondContact O-CA 3.37Å; T343-V390 WeakPolarHBondContact O-CB 3.43Å; T343-V390 PolarHBondContact O-N 3.18Å; T343-V390 VanDerWaalsContact O-O 3.1Å; T343-V390 PolarHBondContact OG1-O 3.38Å; Q345-V390 HydrophobicContact CB-CG2 4.15Å; L388-V390 HydrophobicContact CD2-CG2 3.97Å; L388-V390 HydrophobicContact CG-CG2 4.4Å; L388-V390 PolarHBondContact O-N 3.03Å; V390-S392 PolarHBondContact O-N 3.02Å; V390-S392 VanDerWaalsContact O-N 3.11Å
391S61.1Low75.4Confident69 Ų6942 Ų4248%0.48323%0.232SC..EExtended strand (participates in β ladder)trans-63.5115.2175.8-58.20000110.3N341 V393N341-S391 CarbonylContact O-C 3.54Å; N341-S391 WeakPolarHBondContact O-CA 3.38Å; S391-V393 VanDerWaalsContact C-N 3.32Å
392S53.4Low74.9Confident52 Ų5247.6 Ų47.636%0.36425%0.253SS..THydrogen-bonded Turntrans-77.9-21.117664.50000112.7K340 N341 V342 V390K340-S392 PolarHBondContact O-OG 3.33Å; N341-S392 VanDerWaalsContact CA-OG 3.23Å; N341-S392 WeakPolarHBondContact CA-OG 3.42Å; N341-S392 PolarHBondContact O-N 2.82Å; N341-S392 PolarHBondContact O-OG 3.4Å; N341-S392 VanDerWaalsContact O-OG 3.11Å; V342-S392 PolarHBondContact N-OG 3.37Å; V390-S392 PolarHBondContact O-N 3.02Å; V390-S392 VanDerWaalsContact O-N 3.11Å
393V48.3Very low74.6Confident63 Ų6348 Ų4838%0.38226%0.255SS..THydrogen-bonded Turntrans-115.845.1175.6-167.30000109.4N341 S391 V395N341-V393 HydrophobicContact CB-CB 3.78Å; N341-V393 HydrophobicContact CB-CG2 3.71Å; N341-V393 PolarHBondContact O-N 3.4Å; S391-V393 VanDerWaalsContact C-N 3.32Å; V393-V395 VanDerWaalsContact C-N 3.34Å; V393-V395 PolarHBondContact O-N 2.86Å
394E49.1Very low74.1Confident107 Ų10748.8 Ų48.850%0.526%0.262SS..SBendtrans-66.1111.2139.2-94.8-162.912100104.8D396 K400E394-D396 PolarHBondContact O-N 3.36Å; E394-D396 VanDerWaalsContact O-N 3.08Å; E394-K400 IonicContact OE1-NZ 3.37Å; E394-K400 PolarHBondContact OE1-NZ 3.48Å; E394-K400 IonicContact OE2-NZ 2.65Å; E394-K400 PolarHBondContact OE2-NZ 3.31Å
395V54.5Low73.8Confident21 Ų2152.6 Ų52.613%0.12728%0.283CS..  trans-7.3108167.7175.80000110.3V393 A397 H399 K400 L403 L637 L640V393-V395 VanDerWaalsContact C-N 3.34Å; V393-V395 PolarHBondContact O-N 2.86Å; V395-A397 PolarHBondContact O-N 3.48Å; V395-H399 HydrophobicContact CG1-CB 3.35Å; V395-K400 HydrophobicContact CB-CG 3.97Å; V395-K400 HydrophobicContact CG1-CG 3.97Å; V395-K400 WeakPolarHBondContact O-CG 3.37Å; V395-L403 HydrophobicContact CG1-CD1 3.97Å; V395-L637 HydrophobicContact CG1-CD1 3.96Å; V395-L640 HydrophobicContact CG2-CD1 3.54Å
396D57.7Low73.4Confident108 Ų10854.7 Ų54.758%0.57829%0.294SS*.  trans-35.2130.5-174.4-128.5-15.2000109.1E394 V398 H399 K400E394-D396 PolarHBondContact O-N 3.36Å; E394-D396 VanDerWaalsContact O-N 3.08Å; D396-V398 CarbonylContact O-C 3.56Å; D396-V398 PolarHBondContact O-N 3.35Å; D396-H399 VanDerWaalsContact CB-ND1 3.33Å; D396-H399 WeakPolarHBondContact CB-ND1 3.3Å; D396-H399 WeakPolarHBondContact O-CA 3.45Å; D396-H399 WeakPolarHBondContact O-CB 3.44Å; D396-H399 PolarHBondContact O-N 2.88Å; D396-K400 PolarHBondContact O-N 2.89Å; D396-K400 VanDerWaalsContact O-N 3.14Å
397A59.7Low73.2Confident14 Ų1455.9 Ų55.912%0.11630%0.302CS..Hα-helixtrans-52.2-27.9-168.500000113.4V395 K400 H401 V549 H550V395-A397 PolarHBondContact O-N 3.48Å; A397-K400 PolarHBondContact O-N 2.92Å; A397-H401 WeakPolarHBondContact O-CB 3.4Å; A397-H401 PolarHBondContact O-N 3.35Å; A397-V549 HydrophobicContact CB-CG1 3.93Å; A397-H550 HydrophobicContact CB-CB 4.46Å; A397-H550 WeakPolarHBondContact CB-CE1 3.35Å; A397-H550 WeakPolarHBondContact CB-ND1 3.29Å
398V68.8Low73Confident73 Ų7360.5 Ų60.544%0.44232%0.32SS..Hα-helixtrans-54.7-52.3168.11790000112.4D396 H401 Y402D396-V398 CarbonylContact O-C 3.56Å; D396-V398 PolarHBondContact O-N 3.35Å; V398-H401 WeakPolarHBondContact O-CB 3.5Å; V398-H401 PolarHBondContact O-N 2.97Å; V398-Y402 HydrophobicContact CG1-CD2 3.72Å; V398-Y402 HydrophobicContact CG1-CE2 3.36Å; V398-Y402 WeakPolarHBondContact O-CD2 3.42Å; V398-Y402 PolarHBondContact O-N 2.86Å
399H77Confident73.1Confident54 Ų5463.1 Ų63.125%0.2534%0.336CS..Hα-helixtrans-67.1-35.5177-63.586000112V395 D396 H401 Y402 L403 L637 Y641V395-H399 HydrophobicContact CG1-CB 3.35Å; D396-H399 VanDerWaalsContact CB-ND1 3.33Å; D396-H399 WeakPolarHBondContact CB-ND1 3.3Å; D396-H399 WeakPolarHBondContact O-CA 3.45Å; D396-H399 WeakPolarHBondContact O-CB 3.44Å; D396-H399 PolarHBondContact O-N 2.88Å; H399-H401 VanDerWaalsContact C-N 3.33Å; H399-H401 PolarHBondContact O-N 3.35Å; H399-Y402 PolarHBondContact O-N 3.2Å; H399-L403 VanDerWaalsContact O-CB 3.3Å; H399-L403 WeakPolarHBondContact O-CB 3.42Å; H399-L403 WeakPolarHBondContact O-CD1 3.13Å; H399-L403 VanDerWaalsContact O-CG 3.22Å; H399-L403 WeakPolarHBondContact O-CG 3.35Å; H399-L403 PolarHBondContact O-N 3.48Å; H399-L637 HydrophobicContact CB-CD1 3.94Å; H399-Y641 AromaticContact CD2-CE2 3.79Å; H399-Y641 PolarHBondContact CD2-OH 3.09Å
400K70.2Confident73.6Confident38 Ų3862 Ų6217%0.16533%0.331CS..Hα-helixtrans-60.1-44.5170.9-77.2178.9-174.5-178.20111E394 V395 D396 A397 L403 S404 A548 V549E394-K400 IonicContact OE1-NZ 3.37Å; E394-K400 PolarHBondContact OE1-NZ 3.48Å; E394-K400 IonicContact OE2-NZ 2.65Å; E394-K400 PolarHBondContact OE2-NZ 3.31Å; V395-K400 HydrophobicContact CB-CG 3.97Å; V395-K400 HydrophobicContact CG1-CG 3.97Å; V395-K400 WeakPolarHBondContact O-CG 3.37Å; D396-K400 PolarHBondContact O-N 2.89Å; D396-K400 VanDerWaalsContact O-N 3.14Å; A397-K400 PolarHBondContact O-N 2.92Å; K400-L403 PolarHBondContact O-N 3.05Å; K400-S404 WeakPolarHBondContact O-CB 3.36Å; K400-S404 PolarHBondContact O-N 2.98Å; K400-A548 PolarHBondContact NZ-O 3.23Å; K400-V549 HydrophobicContact CB-CG1 4.43Å; K400-V549 HydrophobicContact CB-CG2 4.02Å; K400-V549 HydrophobicContact CD-CG2 3.81Å
401H76.8Confident74.4Confident114 Ų11460.1 Ų60.153%0.52832%0.319SS..Hα-helixtrans-62.3-46.5176.6-177.164.9000111.8A397 V398 H399 L403 S404 L405A397-H401 WeakPolarHBondContact O-CB 3.4Å; A397-H401 PolarHBondContact O-N 3.35Å; V398-H401 WeakPolarHBondContact O-CB 3.5Å; V398-H401 PolarHBondContact O-N 2.97Å; H399-H401 VanDerWaalsContact C-N 3.33Å; H399-H401 PolarHBondContact O-N 3.35Å; H401-L403 PolarHBondContact O-N 3.42Å; H401-S404 PolarHBondContact O-N 2.87Å; H401-L405 WeakPolarHBondContact O-CB 3.43Å; H401-L405 PolarHBondContact O-N 2.61Å
402Y84.2Confident76Confident132 Ų13259.3 Ų59.352%0.51831%0.312SS..Hα-helixtrans-63.2-41.2175.9-75.8-58.8000113.2V398 H399 L405 L406V398-Y402 HydrophobicContact CG1-CD2 3.72Å; V398-Y402 HydrophobicContact CG1-CE2 3.36Å; V398-Y402 WeakPolarHBondContact O-CD2 3.42Å; V398-Y402 PolarHBondContact O-N 2.86Å; H399-Y402 PolarHBondContact O-N 3.2Å; Y402-L405 PolarHBondContact O-N 3.44Å; Y402-L406 WeakPolarHBondContact O-CB 3.45Å; Y402-L406 PolarHBondContact O-N 3.27Å
403L85.4Confident77.9Confident23 Ų2359.3 Ų59.312%0.1231%0.309CS..Hα-helixtrans-64.7-42.1176.5-75.6164000111.4V395 H399 K400 H401 L406 S407 L640 Y641V395-L403 HydrophobicContact CG1-CD1 3.97Å; H399-L403 VanDerWaalsContact O-CB 3.3Å; H399-L403 WeakPolarHBondContact O-CB 3.42Å; H399-L403 WeakPolarHBondContact O-CD1 3.13Å; H399-L403 VanDerWaalsContact O-CG 3.22Å; H399-L403 WeakPolarHBondContact O-CG 3.35Å; H399-L403 PolarHBondContact O-N 3.48Å; K400-L403 PolarHBondContact O-N 3.05Å; H401-L403 PolarHBondContact O-N 3.42Å; L403-L406 PolarHBondContact O-N 3.41Å; L403-S407 WeakPolarHBondContact O-CB 3.48Å; L403-S407 PolarHBondContact O-N 3.07Å; L403-S407 PolarHBondContact O-OG 2.97Å; L403-S407 VanDerWaalsContact O-OG 3.05Å; L403-L640 HydrophobicContact CD1-CB 4.42Å; L403-Y641 HydrophobicContact CD2-CD1 3.76Å; L403-Y641 HydrophobicContact CD2-CD2 4.27Å; L403-Y641 HydrophobicContact CD2-CE1 3.93Å; L403-Y641 HydrophobicContact CD2-CE2 4.4Å; L403-Y641 HydrophobicContact CD2-CG 3.94Å; L403-Y641 HydrophobicContact CG-CD1 4.5Å; L403-Y641 HydrophobicContact CG-CE1 4.19Å; L403-Y641 HydrophobicContact CG-CE2 4.41Å
404S83.5Confident80.1Confident51 Ų5156.3 Ų56.336%0.35729%0.291SS..Hα-helixtrans-61.8-48.4175.4170.60000111.4K400 H401 L406 S407 Y408K400-S404 WeakPolarHBondContact O-CB 3.36Å; K400-S404 PolarHBondContact O-N 2.98Å; H401-S404 PolarHBondContact O-N 2.87Å; S404-L406 VanDerWaalsContact C-N 3.31Å; S404-L406 PolarHBondContact O-N 3.23Å; S404-S407 PolarHBondContact O-N 3.07Å; S404-Y408 WeakPolarHBondContact O-CB 3.22Å; S404-Y408 PolarHBondContact O-N 2.97Å
405L86.3Confident82.2Confident91 Ų9151.7 Ų51.748%0.47627%0.271SS..Hα-helixtrans-59.3-43.4175.7-177.566.2000111.6H401 Y402 Y408 V409H401-L405 WeakPolarHBondContact O-CB 3.43Å; H401-L405 PolarHBondContact O-N 2.61Å; Y402-L405 PolarHBondContact O-N 3.44Å; L405-Y408 PolarHBondContact O-N 3.17Å; L405-V409 HydrophobicContact CD1-CG2 4.39Å; L405-V409 WeakPolarHBondContact O-CB 3.45Å; L405-V409 VanDerWaalsContact O-CG2 3.32Å; L405-V409 WeakPolarHBondContact O-CG2 3.28Å; L405-V409 PolarHBondContact O-N 3.46Å
406L89.5Confident84.1Confident47 Ų4755.6 Ų55.625%0.24629%0.291CS..Hα-helixtrans-64.2-45.9178.9-178.361.8000112Y402 L403 S404 G410 Y641 I645 F649Y402-L406 WeakPolarHBondContact O-CB 3.45Å; Y402-L406 PolarHBondContact O-N 3.27Å; L403-L406 PolarHBondContact O-N 3.41Å; S404-L406 VanDerWaalsContact C-N 3.31Å; S404-L406 PolarHBondContact O-N 3.23Å; L406-G410 PolarHBondContact O-N 3.19Å; L406-Y641 HydrophobicContact CD2-CD1 4.17Å; L406-I645 HydrophobicContact CD1-CG1 4.48Å; L406-I645 HydrophobicContact CD2-CD1 4.37Å; L406-I645 HydrophobicContact CD2-CG1 3.6Å; L406-I645 HydrophobicContact CG-CG1 4.38Å; L406-F649 HydrophobicContact CD1-CE2 4.32Å
407S89.6Confident85.7Confident25 Ų2550.8 Ų50.818%0.17527%0.266CS..Hα-helixtrans-63.5-41.8175.8-61.90000111.5L403 S404 G410 C411 S644L403-S407 WeakPolarHBondContact O-CB 3.48Å; L403-S407 PolarHBondContact O-N 3.07Å; L403-S407 PolarHBondContact O-OG 2.97Å; L403-S407 VanDerWaalsContact O-OG 3.05Å; S404-S407 PolarHBondContact O-N 3.07Å; S407-G410 PolarHBondContact O-N 3.39Å; S407-C411 VanDerWaalsContact O-CB 3.28Å; S407-C411 WeakPolarHBondContact O-CB 3.47Å; S407-C411 PolarHBondContact O-N 3.26Å; S407-C411 PolarHBondContact O-SG 3.17Å; S407-S644 PolarHBondContact OG-OG 3.34Å
408Y90Very high87.2Confident100 Ų10050.1 Ų50.139%0.39226%0.261SS..Hα-helixtrans-61.2-52.7177.2-174.2-90.4000111.7S404 L405 G410 C411 V412 L461S404-Y408 WeakPolarHBondContact O-CB 3.22Å; S404-Y408 PolarHBondContact O-N 2.97Å; L405-Y408 PolarHBondContact O-N 3.17Å; Y408-G410 PolarHBondContact O-N 3.28Å; Y408-C411 PolarHBondContact O-N 3.02Å; Y408-V412 HydrophobicContact CD1-CG2 4.46Å; Y408-V412 HydrophobicContact CE1-CG2 4.2Å; Y408-V412 WeakPolarHBondContact O-CG2 3.23Å; Y408-V412 PolarHBondContact O-N 3.29Å; Y408-L461 HydrophobicContact CD2-CD2 3.56Å; Y408-L461 HydrophobicContact CE2-CD2 3.57Å; Y408-L461 HydrophobicContact CG-CD2 4.12Å
409V92Very high88.3Confident71 Ų7150.5 Ų50.543%0.4326%0.26SS..Hα-helixtrans-62-44178.2172.90000111.1L405 V412 V413L405-V409 HydrophobicContact CD1-CG2 4.39Å; L405-V409 WeakPolarHBondContact O-CB 3.45Å; L405-V409 VanDerWaalsContact O-CG2 3.32Å; L405-V409 WeakPolarHBondContact O-CG2 3.28Å; L405-V409 PolarHBondContact O-N 3.46Å; V409-V412 PolarHBondContact O-N 2.86Å; V409-V413 WeakPolarHBondContact O-CG2 3.39Å; V409-V413 PolarHBondContact O-N 3.26Å; V409-V413 VanDerWaalsContact O-N 3.07Å
410G92.3Very high88.9Confident0 Ų052 Ų520%027%0.273CS..Hα-helixtrans-59.9-49.1177.800000112.3L406 S407 Y408 V412 V413 S414 S648L406-G410 PolarHBondContact O-N 3.19Å; S407-G410 PolarHBondContact O-N 3.39Å; Y408-G410 PolarHBondContact O-N 3.28Å; G410-V412 VanDerWaalsContact C-N 3.34Å; G410-V412 PolarHBondContact O-N 2.93Å; G410-V413 PolarHBondContact O-N 3.5Å; G410-S414 WeakPolarHBondContact O-CB 3.38Å; G410-S414 PolarHBondContact O-N 3.41Å; G410-S648 CarbonylContact C-O 3.59Å
411C93.2Very high89.6Confident9 Ų950.3 Ų50.36%0.06127%0.266CS..Hα-helixtrans-61.9-38178-75.90000112.5S407 Y408 S414 A415 D457 F460 L461 S648S407-C411 VanDerWaalsContact O-CB 3.28Å; S407-C411 WeakPolarHBondContact O-CB 3.47Å; S407-C411 PolarHBondContact O-N 3.26Å; S407-C411 PolarHBondContact O-SG 3.17Å; Y408-C411 PolarHBondContact O-N 3.02Å; C411-S414 PolarHBondContact O-N 3.27Å; C411-A415 VanDerWaalsContact O-CB 3.24Å; C411-A415 WeakPolarHBondContact O-CB 3.49Å; C411-A415 PolarHBondContact O-N 2.83Å; C411-D457 HydrophobicContact CB-CB 4.26Å; C411-D457 PolarHBondContact SG-OD1 2.86Å; C411-D457 VanDerWaalsContact SG-OD1 3.33Å; C411-F460 HydrophobicContact CB-CD1 4.36Å; C411-L461 HydrophobicContact CB-CD1 4.4Å; C411-L461 HydrophobicContact CB-CD2 4.11Å; C411-L461 HydrophobicContact CB-CG 4.14Å; C411-S648 PolarHBondContact N-O 3.41Å
412V94.4Very high90.1Very high53 Ų5346.5 Ų46.532%0.32125%0.249SC..Hα-helixtrans-62.1-47.7174172.30000110.8Y408 V409 G410 A415 L416 L461Y408-V412 HydrophobicContact CD1-CG2 4.46Å; Y408-V412 HydrophobicContact CE1-CG2 4.2Å; Y408-V412 WeakPolarHBondContact O-CG2 3.23Å; Y408-V412 PolarHBondContact O-N 3.29Å; V409-V412 PolarHBondContact O-N 2.86Å; G410-V412 VanDerWaalsContact C-N 3.34Å; G410-V412 PolarHBondContact O-N 2.93Å; V412-A415 PolarHBondContact O-N 2.93Å; V412-L416 HydrophobicContact CG1-CD1 4.17Å; V412-L416 VanDerWaalsContact O-CG 3.32Å; V412-L416 WeakPolarHBondContact O-CG 3.21Å; V412-L416 PolarHBondContact O-N 3.35Å; V412-L461 HydrophobicContact CG2-CD1 3.86Å; V412-L461 HydrophobicContact CG2-CD2 3.75Å; V412-L461 HydrophobicContact CG2-CG 4.49Å
413V94.4Very high90.2Very high52 Ų5242.5 Ų42.532%0.31524%0.243SC..Hα-helixtrans-63.4-43.2178.4173.20000111.1V409 G410 L416 A417 F649 F652V409-V413 WeakPolarHBondContact O-CG2 3.39Å; V409-V413 PolarHBondContact O-N 3.26Å; V409-V413 VanDerWaalsContact O-N 3.07Å; G410-V413 PolarHBondContact O-N 3.5Å; V413-L416 PolarHBondContact O-N 3.14Å; V413-A417 WeakPolarHBondContact O-CB 3.27Å; V413-A417 PolarHBondContact O-N 3.29Å; V413-F649 HydrophobicContact CB-CE1 4.11Å; V413-F649 HydrophobicContact CG1-CD1 4.24Å; V413-F649 HydrophobicContact CG1-CE1 4.04Å; V413-F649 HydrophobicContact CG2-CE1 4.41Å; V413-F652 HydrophobicContact CG1-CB 4.36Å; V413-F652 HydrophobicContact CG1-CD2 4.08Å; V413-F652 HydrophobicContact CG1-CG 4.22Å
414S92.8Very high90.2Very high0 Ų042.9 Ų42.90%025%0.249CC..Hα-helixtrans-61.7-48.2177.2177.20000111.5G410 C411 L416 A417 C418 D457 S648 G651G410-S414 WeakPolarHBondContact O-CB 3.38Å; G410-S414 PolarHBondContact O-N 3.41Å; C411-S414 PolarHBondContact O-N 3.27Å; S414-L416 PolarHBondContact O-N 3.32Å; S414-A417 PolarHBondContact O-N 3.11Å; S414-C418 WeakPolarHBondContact O-CB 3.38Å; S414-C418 PolarHBondContact O-N 3.17Å; S414-C418 PolarHBondContact O-SG 3.37Å; S414-D457 WeakPolarHBondContact CB-OD2 3.43Å; S414-D457 PolarHBondContact OG-OD2 3.05Å; S414-S648 VanDerWaalsContact CB-O 3.24Å; S414-S648 WeakPolarHBondContact CB-O 3.17Å; S414-G651 VanDerWaalsContact OG-CA 3.23Å; S414-G651 WeakPolarHBondContact OG-CA 3.45Å; S414-G651 PolarHBondContact OG-N 3.49Å; S414-G651 VanDerWaalsContact OG-N 3.09Å
415A93.8Very high90.1Very high9 Ų941.9 Ų41.97%0.07424%0.238CC..Hα-helixtrans-59.7-44.717800000112.1C411 V412 C418 L419 F454 D457C411-A415 VanDerWaalsContact O-CB 3.24Å; C411-A415 WeakPolarHBondContact O-CB 3.49Å; C411-A415 PolarHBondContact O-N 2.83Å; V412-A415 PolarHBondContact O-N 2.93Å; A415-C418 PolarHBondContact O-N 3.31Å; A415-L419 WeakPolarHBondContact O-CG 3.27Å; A415-L419 PolarHBondContact O-N 3.29Å; A415-F454 HydrophobicContact CB-CD2 4.23Å; A415-F454 HydrophobicContact CB-CE2 4.41Å; A415-D457 HydrophobicContact CB-CB 4.03Å; A415-D457 PolarHBondContact N-OD2 3.38Å
416L94.4Very high89.9Confident103 Ų10342.2 Ų42.254%0.53924%0.24SC..Hα-helixtrans-63.4-42.7176-69.5173.9000111.8V412 V413 S414 C418 L419 V420V412-L416 HydrophobicContact CG1-CD1 4.17Å; V412-L416 VanDerWaalsContact O-CG 3.32Å; V412-L416 WeakPolarHBondContact O-CG 3.21Å; V412-L416 PolarHBondContact O-N 3.35Å; V413-L416 PolarHBondContact O-N 3.14Å; S414-L416 PolarHBondContact O-N 3.32Å; L416-C418 VanDerWaalsContact C-N 3.34Å; L416-C418 PolarHBondContact O-N 3.5Å; L416-L419 PolarHBondContact O-N 3.09Å; L416-V420 WeakPolarHBondContact O-CG2 3.38Å; L416-V420 PolarHBondContact O-N 3.1Å
417A91.5Very high89.4Confident8 Ų844.2 Ų44.27%0.06626%0.257CS..Hα-helixtrans-62.8-40.7176.400000111.9V413 S414 V420 T421 F652 F655V413-A417 WeakPolarHBondContact O-CB 3.27Å; V413-A417 PolarHBondContact O-N 3.29Å; S414-A417 PolarHBondContact O-N 3.11Å; A417-V420 PolarHBondContact O-N 3.22Å; A417-T421 PolarHBondContact O-N 3.37Å; A417-T421 PolarHBondContact O-OG1 3.4Å; A417-F652 HydrophobicContact CB-CB 4.29Å; A417-F652 HydrophobicContact CB-CD2 4.11Å; A417-F655 HydrophobicContact CB-CB 4.06Å; A417-F655 HydrophobicContact CB-CD1 4.09Å; A417-F655 HydrophobicContact CB-CG 4.27Å
418C91.1Very high88.5Confident0 Ų045.4 Ų45.40%027%0.265CS..Hα-helixtrans-61.7-45.3174-64.80000111.6S414 A415 L416 T421 I422 L450 F454S414-C418 WeakPolarHBondContact O-CB 3.38Å; S414-C418 PolarHBondContact O-N 3.17Å; S414-C418 PolarHBondContact O-SG 3.37Å; A415-C418 PolarHBondContact O-N 3.31Å; L416-C418 VanDerWaalsContact C-N 3.34Å; L416-C418 PolarHBondContact O-N 3.5Å; C418-T421 VanDerWaalsContact CA-OG1 3.3Å; C418-T421 WeakPolarHBondContact CA-OG1 3.48Å; C418-T421 PolarHBondContact O-N 3.42Å; C418-T421 PolarHBondContact O-OG1 3.42Å; C418-I422 WeakPolarHBondContact O-CB 3.36Å; C418-I422 VanDerWaalsContact O-CG1 3.24Å; C418-I422 WeakPolarHBondContact O-CG1 3.43Å; C418-I422 PolarHBondContact O-N 3.35Å; C418-L450 HydrophobicContact CB-CD1 3.88Å; C418-L450 HydrophobicContact CB-CG 4.01Å; C418-L450 WeakPolarHBondContact SG-CD1 3.29Å; C418-F454 HydrophobicContact CB-CB 3.97Å; C418-F454 HydrophobicContact CB-CD2 4.42Å
419L91.5Very high87.2Confident80 Ų8047.7 Ų47.742%0.41927%0.273SS..Hα-helixtrans-61.9-46.6177.2-75.8172.7000112.1A415 L416 T421 I422 A423 F454A415-L419 WeakPolarHBondContact O-CG 3.27Å; A415-L419 PolarHBondContact O-N 3.29Å; L416-L419 PolarHBondContact O-N 3.09Å; L419-T421 VanDerWaalsContact C-N 3.31Å; L419-T421 PolarHBondContact O-N 3.36Å; L419-I422 PolarHBondContact O-N 3.47Å; L419-A423 WeakPolarHBondContact O-CB 3.42Å; L419-A423 PolarHBondContact O-N 3.24Å; L419-F454 HydrophobicContact CD1-CE2 3.72Å; L419-F454 HydrophobicContact CD1-CZ 4.36Å; L419-F454 HydrophobicContact CD2-CD2 4.1Å; L419-F454 HydrophobicContact CD2-CE1 4.47Å; L419-F454 HydrophobicContact CD2-CE2 3.59Å; L419-F454 HydrophobicContact CD2-CZ 3.8Å; L419-F454 HydrophobicContact CG-CD2 3.9Å; L419-F454 HydrophobicContact CG-CE2 3.49Å; L419-F454 VanDerWaalsContact CG-CE2 3.49Å; L419-F454 HydrophobicContact CG-CZ 4.2Å
420V89.5Confident85.3Confident86 Ų8649.2 Ų49.252%0.52128%0.282SS..Hα-helixtrans-61.5-40.3179.1170.30000111.2L416 A417 A424L416-V420 WeakPolarHBondContact O-CG2 3.38Å; L416-V420 PolarHBondContact O-N 3.1Å; A417-V420 PolarHBondContact O-N 3.22Å; V420-A424 WeakPolarHBondContact O-CB 3.41Å; V420-A424 PolarHBondContact O-N 3.12Å
421T85.9Confident83Confident3 Ų354.8 Ų54.82%0.01832%0.318CS..Hα-helixtrans-70.4-44.3178.733.30000113.2A417 C418 L419 A423 A424 Y425 L450 F655 Y658A417-T421 PolarHBondContact O-N 3.37Å; A417-T421 PolarHBondContact O-OG1 3.4Å; C418-T421 VanDerWaalsContact CA-OG1 3.3Å; C418-T421 WeakPolarHBondContact CA-OG1 3.48Å; C418-T421 PolarHBondContact O-N 3.42Å; C418-T421 PolarHBondContact O-OG1 3.42Å; L419-T421 VanDerWaalsContact C-N 3.31Å; L419-T421 PolarHBondContact O-N 3.36Å; T421-A423 VanDerWaalsContact C-N 3.35Å; T421-A424 PolarHBondContact O-N 2.7Å; T421-Y425 WeakPolarHBondContact O-CB 3.23Å; T421-Y425 PolarHBondContact O-N 3.36Å; T421-L450 WeakPolarHBondContact OG1-CD2 3.31Å; T421-F655 HydrophobicContact CG2-CB 3.9Å; T421-F655 HydrophobicContact CG2-CD2 3Å; T421-F655 HydrophobicContact CG2-CE2 3.67Å; T421-F655 HydrophobicContact CG2-CG 3.79Å; T421-Y658 HydrophobicContact CG2-CD1 4.42Å
422I86.7Confident80.4Confident34 Ų3461.4 Ų61.417%0.17435%0.352CS..Hα-helixtrans-60.8-47.4174.3-68.1167.3000109.4C418 L419 A424 Y425 L426 L450C418-I422 WeakPolarHBondContact O-CB 3.36Å; C418-I422 VanDerWaalsContact O-CG1 3.24Å; C418-I422 WeakPolarHBondContact O-CG1 3.43Å; C418-I422 PolarHBondContact O-N 3.35Å; L419-I422 PolarHBondContact O-N 3.47Å; I422-A424 PolarHBondContact O-N 3.28Å; I422-Y425 WeakPolarHBondContact O-CB 3.38Å; I422-Y425 PolarHBondContact O-N 2.82Å; I422-L426 HydrophobicContact CG2-CD1 3.88Å; I422-L426 HydrophobicContact CG2-CG 4.29Å; I422-L426 VanDerWaalsContact O-CG 3.32Å; I422-L426 WeakPolarHBondContact O-CG 3.24Å; I422-L426 PolarHBondContact O-N 3.45Å; I422-L450 HydrophobicContact CD1-CD2 4.28Å; I422-L450 HydrophobicContact CD1-CG 4.31Å; I422-L450 HydrophobicContact CG1-CD2 3.63Å; I422-L450 HydrophobicContact CG1-CG 4.2Å
423A87.1Confident77.7Confident47 Ų4764.8 Ų64.839%0.38838%0.376SS..Hα-helixtrans-61-46.417700000111.6L419 T421 Y425 L426 C427L419-A423 WeakPolarHBondContact O-CB 3.42Å; L419-A423 PolarHBondContact O-N 3.24Å; T421-A423 VanDerWaalsContact C-N 3.35Å; A423-Y425 PolarHBondContact O-N 3.4Å; A423-L426 PolarHBondContact O-N 3.11Å; A423-C427 VanDerWaalsContact O-CB 3.28Å; A423-C427 WeakPolarHBondContact O-CB 2.9Å; A423-C427 PolarHBondContact O-N 3.44Å; A423-C427 PolarHBondContact O-SG 2.79Å
424A84Confident75Confident32 Ų3267.5 Ų67.526%0.26440%0.396SS..Hα-helixtrans-62.6-31.4176.700000112.6V420 T421 I422 S428 R662V420-A424 WeakPolarHBondContact O-CB 3.41Å; V420-A424 PolarHBondContact O-N 3.12Å; T421-A424 PolarHBondContact O-N 2.7Å; I422-A424 PolarHBondContact O-N 3.28Å; A424-S428 VanDerWaalsContact O-CB 3.23Å; A424-S428 WeakPolarHBondContact O-CB 3.34Å; A424-S428 PolarHBondContact O-N 3.25Å; A424-S428 PolarHBondContact O-OG 2.91Å; A424-S428 VanDerWaalsContact O-OG 3.05Å; A424-R662 PolarHBondContact O-NH2 2.83Å
425Y81.4Confident72.3Confident29 Ų2978.6 Ų78.611%0.11444%0.437CS..Hα-helixtrans-70.6-50.2172.9175.7-108.1000111.5T421 I422 A423 S428 R429 I443 M447T421-Y425 WeakPolarHBondContact O-CB 3.23Å; T421-Y425 PolarHBondContact O-N 3.36Å; I422-Y425 WeakPolarHBondContact O-CB 3.38Å; I422-Y425 PolarHBondContact O-N 2.82Å; A423-Y425 PolarHBondContact O-N 3.4Å; Y425-S428 PolarHBondContact O-N 2.66Å; Y425-S428 PolarHBondContact O-OG 3.21Å; Y425-R429 VanDerWaalsContact CE1-NH2 3.35Å; Y425-R429 PolarHBondContact O-N 3.34Å; Y425-R429 PolarHBondContact OH-NE 3.24Å; Y425-R429 PolarHBondContact OH-NH2 3.05Å; Y425-I443 HydrophobicContact CD2-CG2 3.99Å; Y425-I443 HydrophobicContact CE2-CG2 3.45Å; Y425-I443 VanDerWaalsContact CE2-CG2 3.45Å; Y425-M447 HydrophobicContact CD1-CG 3.73Å; Y425-M447 HydrophobicContact CD1-SD 3.71Å; Y425-M447 HydrophobicContact CD2-CG 4.35Å; Y425-M447 HydrophobicContact CD2-SD 4.18Å; Y425-M447 HydrophobicContact CE1-CG 3.8Å; Y425-M447 HydrophobicContact CE1-SD 4.39Å; Y425-M447 HydrophobicContact CE2-CG 4.42Å; Y425-M447 HydrophobicContact CG-CG 3.99Å; Y425-M447 HydrophobicContact CG-SD 3.56Å; Y425-M447 VanDerWaalsContact CG-SD 3.56Å
426L82.6Confident69.7Low99 Ų9987.3 Ų87.352%0.51847%0.468SS..Hα-helixtrans-61.6-47.1178.8-68.2176.1000111.9I422 A423 S428 R429I422-L426 HydrophobicContact CG2-CD1 3.88Å; I422-L426 HydrophobicContact CG2-CG 4.29Å; I422-L426 VanDerWaalsContact O-CG 3.32Å; I422-L426 WeakPolarHBondContact O-CG 3.24Å; I422-L426 PolarHBondContact O-N 3.45Å; A423-L426 PolarHBondContact O-N 3.11Å; L426-S428 VanDerWaalsContact C-N 3.29Å; L426-S428 PolarHBondContact O-N 3.08Å; L426-R429 WeakPolarHBondContact O-CB 3.39Å; L426-R429 PolarHBondContact O-N 2.8Å
427C79.2Confident67Low88 Ų8891.7 Ų91.760%0.59548%0.483SS*.Hα-helixtrans-62-35.6175.3-68.30000111.8A423 R429 V430A423-C427 VanDerWaalsContact O-CB 3.28Å; A423-C427 WeakPolarHBondContact O-CB 2.9Å; A423-C427 PolarHBondContact O-N 3.44Å; A423-C427 PolarHBondContact O-SG 2.79Å; C427-R429 PolarHBondContact O-N 2.82Å; C427-V430 VanDerWaalsContact O-CB 3.31Å; C427-V430 WeakPolarHBondContact O-CB 3.47Å; C427-V430 WeakPolarHBondContact O-CG2 3.3Å; C427-V430 PolarHBondContact O-N 2.72Å; C427-V430 VanDerWaalsContact O-N 3.13Å
428S70.9Confident65Low50 Ų5095.2 Ų95.235%0.3551%0.505SS..Hα-helixtrans-72.4-11175.9700000114.5A424 Y425 L426 V430 R662A424-S428 VanDerWaalsContact O-CB 3.23Å; A424-S428 WeakPolarHBondContact O-CB 3.34Å; A424-S428 PolarHBondContact O-N 3.25Å; A424-S428 PolarHBondContact O-OG 2.91Å; A424-S428 VanDerWaalsContact O-OG 3.05Å; Y425-S428 PolarHBondContact O-N 2.66Å; Y425-S428 PolarHBondContact O-OG 3.21Å; L426-S428 VanDerWaalsContact C-N 3.29Å; L426-S428 PolarHBondContact O-N 3.08Å; S428-V430 VanDerWaalsContact C-N 3.35Å; S428-R662 PolarHBondContact OG-NH1 3.09Å
429R63.4Low63.1Low148 Ų148101.9 Ų101.956%0.55853%0.53SS*.THydrogen-bonded Turntrans-81.4-13.3169.3-68.3-158.8-173.4176.67.5113.1Y425 L426 C427Y425-R429 VanDerWaalsContact CE1-NH2 3.35Å; Y425-R429 PolarHBondContact O-N 3.34Å; Y425-R429 PolarHBondContact OH-NE 3.24Å; Y425-R429 PolarHBondContact OH-NH2 3.05Å; L426-R429 WeakPolarHBondContact O-CB 3.39Å; L426-R429 PolarHBondContact O-N 2.8Å; C427-R429 PolarHBondContact O-N 2.82Å
430V51.4Low61.8Low104 Ų104102 Ų10263%0.6353%0.531SS*.THydrogen-bonded Turntrans-63.4124.3164.3-177.50000106.4C427 S428 L432C427-V430 VanDerWaalsContact O-CB 3.31Å; C427-V430 WeakPolarHBondContact O-CB 3.47Å; C427-V430 WeakPolarHBondContact O-CG2 3.3Å; C427-V430 PolarHBondContact O-N 2.72Å; C427-V430 VanDerWaalsContact O-N 3.13Å; S428-V430 VanDerWaalsContact C-N 3.35Å; V430-L432 PolarHBondContact O-N 3.35Å
431P43.9Very low61.1Low117 Ų117102 Ų10276%0.7652%0.523SS*.THydrogen-bonded Turntrans-69.8103.2-13924.7-34.3000113.7
432L39.3Very low60.5Low148 Ų148103.4 Ų103.478%0.77553%0.531SS*.  trans-103.9113155.6-89.5156.5000108.3V430 C434V430-L432 PolarHBondContact O-N 3.35Å; L432-C434 VanDerWaalsContact C-N 3.26Å; L432-C434 PolarHBondContact O-N 3.25Å
433P37.4Very low60.1Low124 Ų124103.5 Ų103.581%0.80553%0.532SS*.  trans-78.974.3-172.533.7-34.5000110.1
434C37.1Very low60Low109 Ų109104.6 Ų104.674%0.73653%0.528SS*.  trans-97.993.7166.1-85.30000109L432 R436L432-C434 VanDerWaalsContact C-N 3.26Å; L432-C434 PolarHBondContact O-N 3.25Å; C434-R436 PolarHBondContact O-N 3.13Å
435R35.9Very low60.1Low233 Ų233103.1 Ų103.188%0.87952%0.515SS*.  trans-25.8122.7154.5-89.1179.5169.3174.5-2.5110.5
436R40Very low60.2Low192 Ų192102 Ų10273%0.72551%0.511SS*.  trans176.693.6139.6-93.4160.5-161.2110.1-11.7113C434C434-R436 PolarHBondContact O-N 3.13Å
437K37.8Very low60.4Low195 Ų19598.1 Ų98.185%0.84849%0.491SS*.THydrogen-bonded Turntrans-31.8149.3133.7-144.6170.7-174.91790110.5
438P48.5Very low61Low82 Ų8296 Ų9653%0.53247%0.474SS..THydrogen-bonded Turncis-96.818.6-30.210.613.8000112.6D440P438-D440 PolarHBondContact O-N 3.19Å
439R51.4Low61.9Low140 Ų14093.7 Ų93.753%0.52846%0.457SS..THydrogen-bonded Turntrans-65.8-7.5-178.2-160.2169.570.9154.31.1113.8I443R439-I443 HydrophobicContact CG-CD1 4.09Å; R439-I443 WeakPolarHBondContact O-CD1 3.37Å; R439-I443 WeakPolarHBondContact O-CG1 3.45Å; R439-I443 PolarHBondContact O-N 2.88Å
440D65Low63.2Low82 Ų8286.8 Ų86.844%0.43943%0.431SS..Hα-helixtrans-70.7-31.9-175.8-67.7-24.3000114P438 K444P438-D440 PolarHBondContact O-N 3.19Å; D440-K444 WeakPolarHBondContact O-CB 3.48Å; D440-K444 WeakPolarHBondContact O-CD 3.29Å; D440-K444 WeakPolarHBondContact O-CG 3.4Å; D440-K444 PolarHBondContact O-N 3.38Å; D440-K444 VanDerWaalsContact O-N 3.07Å
441Y73.2Confident65.2Low87 Ų8784.9 Ų84.934%0.34142%0.417SS..Hα-helixtrans-70.6-49.4-177.5-69-63.1000112I443 K444 V445 Y515 L516Y441-I443 VanDerWaalsContact C-N 3.31Å; Y441-I443 PolarHBondContact O-N 3.48Å; Y441-K444 PolarHBondContact O-N 3.47Å; Y441-K444 VanDerWaalsContact O-N 3.11Å; Y441-V445 WeakPolarHBondContact O-CG2 3.45Å; Y441-V445 PolarHBondContact O-N 3.31Å; Y441-Y515 HydrophobicContact CD1-CD1 4.31Å; Y441-L516 HydrophobicContact CD1-CD1 3.59Å; Y441-L516 HydrophobicContact CD1-CD2 3.89Å; Y441-L516 HydrophobicContact CD1-CG 3.51Å; Y441-L516 HydrophobicContact CE1-CD1 3.7Å; Y441-L516 HydrophobicContact CE1-CG 3.76Å
442T75.2Confident67.6Low32 Ų3279.3 Ų79.320%0.19638%0.381CS..Hα-helixtrans-58.7-43.5177.5-53.10000111.7K444 V445 H446 N499T442-K444 VanDerWaalsContact C-N 3.34Å; T442-K444 PolarHBondContact O-N 3.39Å; T442-V445 PolarHBondContact O-N 2.92Å; T442-H446 VanDerWaalsContact O-CB 3.28Å; T442-H446 WeakPolarHBondContact O-CB 3.48Å; T442-H446 PolarHBondContact O-N 3.27Å; T442-N499 WeakPolarHBondContact CA-ND2 3.39Å; T442-N499 PolarHBondContact OG1-ND2 3.29Å; T442-N499 VanDerWaalsContact OG1-ND2 3.13Å
443I78.4Confident70.1Confident36 Ų3672.4 Ų72.419%0.18535%0.345CS..Hα-helixtrans-62.4-43177-63.7169.1000110.4Y425 R439 Y441 H446 M447Y425-I443 HydrophobicContact CD2-CG2 3.99Å; Y425-I443 HydrophobicContact CE2-CG2 3.45Å; Y425-I443 VanDerWaalsContact CE2-CG2 3.45Å; R439-I443 HydrophobicContact CG-CD1 4.09Å; R439-I443 WeakPolarHBondContact O-CD1 3.37Å; R439-I443 WeakPolarHBondContact O-CG1 3.45Å; R439-I443 PolarHBondContact O-N 2.88Å; Y441-I443 VanDerWaalsContact C-N 3.31Å; Y441-I443 PolarHBondContact O-N 3.48Å; I443-H446 PolarHBondContact O-N 3.47Å; I443-M447 HydrophobicContact CG2-CG 4.38Å; I443-M447 VanDerWaalsContact O-CG 3.25Å; I443-M447 WeakPolarHBondContact O-CG 3.46Å; I443-M447 PolarHBondContact O-N 2.88Å
444K83.9Confident72.8Confident70 Ų7068.6 Ų68.630%0.30432%0.316SS..Hα-helixtrans-66.1-41.9178.8-74171.3-176.2177.30113.1D440 Y441 T442 H446 M447 N448 L516D440-K444 WeakPolarHBondContact O-CB 3.48Å; D440-K444 WeakPolarHBondContact O-CD 3.29Å; D440-K444 WeakPolarHBondContact O-CG 3.4Å; D440-K444 PolarHBondContact O-N 3.38Å; D440-K444 VanDerWaalsContact O-N 3.07Å; Y441-K444 PolarHBondContact O-N 3.47Å; Y441-K444 VanDerWaalsContact O-N 3.11Å; T442-K444 VanDerWaalsContact C-N 3.34Å; T442-K444 PolarHBondContact O-N 3.39Å; K444-H446 VanDerWaalsContact C-N 3.3Å; K444-H446 PolarHBondContact O-N 2.9Å; K444-M447 PolarHBondContact O-N 2.99Å; K444-N448 PolarHBondContact O-N 3.37Å; K444-N448 VanDerWaalsContact O-N 3.1Å; K444-L516 HydrophobicContact CB-CD1 4.34Å; K444-L516 HydrophobicContact CB-CD2 4.21Å; K444-L516 HydrophobicContact CD-CD1 3.43Å; K444-L516 VanDerWaalsContact CD-CD1 3.43Å
445V85.4Confident75.6Confident0 Ų065.1 Ų65.10%029%0.289CS..Hα-helixtrans-59.4-45.9174.4171.30000110Y441 T442 M447 N448 L449 W492 E496 N499 L516 L519Y441-V445 WeakPolarHBondContact O-CG2 3.45Å; Y441-V445 PolarHBondContact O-N 3.31Å; T442-V445 PolarHBondContact O-N 2.92Å; V445-M447 PolarHBondContact O-N 3.37Å; V445-N448 WeakPolarHBondContact O-CB 3.24Å; V445-N448 PolarHBondContact O-N 2.93Å; V445-N448 VanDerWaalsContact O-N 3.11Å; V445-L449 PolarHBondContact O-N 3.07Å; V445-W492 HydrophobicContact CG1-CE3 4.21Å; V445-W492 HydrophobicContact CG1-CZ3 4.1Å; V445-E496 HydrophobicContact CG1-CB 4.21Å; V445-N499 HydrophobicContact CG1-CB 4.39Å; V445-L516 HydrophobicContact CG2-CD2 4.14Å; V445-L519 HydrophobicContact CG2-CD1 3.76Å
446H84.5Confident78.4Confident7 Ų755.1 Ų55.13%0.03225%0.254CS..Hα-helixtrans-63.8-38.1178.4-161.871.2000112.8T442 I443 K444 N448 L449 L450 E496 I654 W657T442-H446 VanDerWaalsContact O-CB 3.28Å; T442-H446 WeakPolarHBondContact O-CB 3.48Å; T442-H446 PolarHBondContact O-N 3.27Å; I443-H446 PolarHBondContact O-N 3.47Å; K444-H446 VanDerWaalsContact C-N 3.3Å; K444-H446 PolarHBondContact O-N 2.9Å; H446-N448 VanDerWaalsContact C-N 3.31Å; H446-N448 PolarHBondContact O-N 2.63Å; H446-L449 PolarHBondContact O-N 3.29Å; H446-L450 VanDerWaalsContact O-CB 3.32Å; H446-L450 WeakPolarHBondContact O-CB 3.47Å; H446-L450 PolarHBondContact O-N 2.92Å; H446-E496 IonicContact CE1-OE1 2.81Å; H446-E496 PolarHBondContact CE1-OE1 3.13Å; H446-E496 IonicContact CG-OE1 3.5Å; H446-E496 IonicContact ND1-OE1 2.86Å; H446-E496 PolarHBondContact ND1-OE1 3.37Å; H446-E496 IonicContact ND1-OE2 2.74Å; H446-E496 PolarHBondContact ND1-OE2 2.88Å; H446-I654 VanDerWaalsContact CE1-CG2 3.41Å; H446-I654 WeakPolarHBondContact CE1-CG2 3.11Å; H446-I654 WeakPolarHBondContact NE2-CG2 3.48Å; H446-W657 AromaticContact CE1-CE3 3.95Å; H446-W657 AromaticContact CE1-CZ3 3.77Å; H446-W657 AromaticContact NE2-CE3 3.76Å; H446-W657 AromaticContact NE2-CZ3 3.65Å
447M87.4Confident81Confident17 Ų1746.3 Ų46.38%0.08422%0.221CC..Hα-helixtrans-64.5-34.5173.4-68.2-61.6108.600112.5Y425 I443 K444 V445 L450 L451 Y658Y425-M447 HydrophobicContact CD1-CG 3.73Å; Y425-M447 HydrophobicContact CD1-SD 3.71Å; Y425-M447 HydrophobicContact CD2-CG 4.35Å; Y425-M447 HydrophobicContact CD2-SD 4.18Å; Y425-M447 HydrophobicContact CE1-CG 3.8Å; Y425-M447 HydrophobicContact CE1-SD 4.39Å; Y425-M447 HydrophobicContact CE2-CG 4.42Å; Y425-M447 HydrophobicContact CG-CG 3.99Å; Y425-M447 HydrophobicContact CG-SD 3.56Å; Y425-M447 VanDerWaalsContact CG-SD 3.56Å; I443-M447 HydrophobicContact CG2-CG 4.38Å; I443-M447 VanDerWaalsContact O-CG 3.25Å; I443-M447 WeakPolarHBondContact O-CG 3.46Å; I443-M447 PolarHBondContact O-N 2.88Å; K444-M447 PolarHBondContact O-N 2.99Å; V445-M447 PolarHBondContact O-N 3.37Å; M447-L450 HydrophobicContact CE-CD2 4.36Å; M447-L450 HydrophobicContact SD-CD2 4.46Å; M447-L451 WeakPolarHBondContact O-CB 3.39Å; M447-L451 PolarHBondContact O-N 3.02Å; M447-Y658 HydrophobicContact CE-CD2 4.43Å; M447-Y658 HydrophobicContact CE-CE2 4.09Å
448N91.1Very high83.7Confident44 Ų4439 Ų3924%0.23519%0.192CC..Hα-helixtrans-71.9-39.5175.5-72.6-32.2000112.1K444 V445 H446 L450 L451 A452 W492K444-N448 PolarHBondContact O-N 3.37Å; K444-N448 VanDerWaalsContact O-N 3.1Å; V445-N448 WeakPolarHBondContact O-CB 3.24Å; V445-N448 PolarHBondContact O-N 2.93Å; V445-N448 VanDerWaalsContact O-N 3.11Å; H446-N448 VanDerWaalsContact C-N 3.31Å; H446-N448 PolarHBondContact O-N 2.63Å; N448-L450 VanDerWaalsContact C-N 3.3Å; N448-L450 PolarHBondContact O-N 3.45Å; N448-L451 PolarHBondContact O-N 2.95Å; N448-A452 PolarHBondContact O-N 3.07Å; N448-W492 HydrophobicContact CB-CD2 3.81Å; N448-W492 HydrophobicContact CB-CE3 3.82Å; N448-W492 HydrophobicContact CB-CH2 3.65Å; N448-W492 HydrophobicContact CB-CZ2 3.59Å; N448-W492 HydrophobicContact CB-CZ3 3.75Å; N448-W492 WeakPolarHBondContact ND2-CH2 3.12Å
449L90.2Very high85.9Confident1 Ų135 Ų351%0.00517%0.167CC..Hα-helixtrans-58.8-46.7171.7174.764.7000110.4V445 H446 L451 A452 V453 W492 M493 E496 L619 I654V445-L449 PolarHBondContact O-N 3.07Å; H446-L449 PolarHBondContact O-N 3.29Å; L449-L451 VanDerWaalsContact C-N 3.29Å; L449-L451 PolarHBondContact O-N 2.62Å; L449-A452 CarbonylContact O-C 3.54Å; L449-A452 WeakPolarHBondContact O-CA 3.4Å; L449-A452 WeakPolarHBondContact O-CB 3.47Å; L449-A452 PolarHBondContact O-N 3.19Å; L449-V453 HydrophobicContact CD1-CG2 4.31Å; L449-V453 HydrophobicContact CG-CG2 4.41Å; L449-V453 WeakPolarHBondContact O-CG2 3.43Å; L449-V453 PolarHBondContact O-N 2.92Å; L449-W492 HydrophobicContact CB-CB 4.19Å; L449-W492 HydrophobicContact CD1-CB 3.75Å; L449-M493 HydrophobicContact CD1-CG 3.63Å; L449-E496 WeakPolarHBondContact CD2-OE2 3.06Å; L449-L619 HydrophobicContact CD2-CD2 3.35Å; L449-I654 HydrophobicContact CD2-CD1 4.12Å
450L90.7Very high87.8Confident2 Ų231.8 Ų31.81%0.0116%0.157CC..Hα-helixtrans-62.5-37.5179.6-170.670.4000112.4C418 T421 I422 H446 M447 N448 V453 F454 I654C418-L450 HydrophobicContact CB-CD1 3.88Å; C418-L450 HydrophobicContact CB-CG 4.01Å; C418-L450 WeakPolarHBondContact SG-CD1 3.29Å; T421-L450 WeakPolarHBondContact OG1-CD2 3.31Å; I422-L450 HydrophobicContact CD1-CD2 4.28Å; I422-L450 HydrophobicContact CD1-CG 4.31Å; I422-L450 HydrophobicContact CG1-CD2 3.63Å; I422-L450 HydrophobicContact CG1-CG 4.2Å; H446-L450 VanDerWaalsContact O-CB 3.32Å; H446-L450 WeakPolarHBondContact O-CB 3.47Å; H446-L450 PolarHBondContact O-N 2.92Å; M447-L450 HydrophobicContact CE-CD2 4.36Å; M447-L450 HydrophobicContact SD-CD2 4.46Å; N448-L450 VanDerWaalsContact C-N 3.3Å; N448-L450 PolarHBondContact O-N 3.45Å; L450-V453 PolarHBondContact O-N 3Å; L450-F454 WeakPolarHBondContact O-CB 3.36Å; L450-F454 PolarHBondContact O-N 3.06Å; L450-I654 HydrophobicContact CD1-CG2 4.23Å
451L93Very high89.1Confident65 Ų6529.5 Ų29.534%0.3414%0.144SC..Hα-helixtrans-63.6-41.4171-179.661.5000111.4M447 N448 L449 F454 L455 W524M447-L451 WeakPolarHBondContact O-CB 3.39Å; M447-L451 PolarHBondContact O-N 3.02Å; N448-L451 PolarHBondContact O-N 2.95Å; L449-L451 VanDerWaalsContact C-N 3.29Å; L449-L451 PolarHBondContact O-N 2.62Å; L451-F454 HydrophobicContact CD1-CD1 4.42Å; L451-F454 PolarHBondContact O-N 3.23Å; L451-L455 VanDerWaalsContact O-CG 3.3Å; L451-L455 WeakPolarHBondContact O-CG 3.37Å; L451-L455 PolarHBondContact O-N 2.84Å; L451-W524 HydrophobicContact CD2-CH2 4.07Å; L451-W524 HydrophobicContact CD2-CZ2 3.97Å; L451-W524 HydrophobicContact CG-CH2 4.11Å; L451-W524 HydrophobicContact CG-CZ2 4.34Å
452A93.9Very high90Very high0 Ų029.3 Ų29.30%015%0.149CC..Hα-helixtrans-64.6-41.2176.300000112.4N448 L449 L455 L456 T488 C489N448-A452 PolarHBondContact O-N 3.07Å; L449-A452 CarbonylContact O-C 3.54Å; L449-A452 WeakPolarHBondContact O-CA 3.4Å; L449-A452 WeakPolarHBondContact O-CB 3.47Å; L449-A452 PolarHBondContact O-N 3.19Å; A452-L455 PolarHBondContact O-N 2.91Å; A452-L456 WeakPolarHBondContact O-CB 3.45Å; A452-L456 PolarHBondContact O-N 3.02Å; A452-T488 HydrophobicContact CB-CG2 3.91Å; A452-C489 HydrophobicContact CB-CB 4.4Å
453V92.6Very high90.6Very high3 Ų328 Ų282%0.01814%0.141CC..Hα-helixtrans-62.3-44.9173.5173.40000110.6L449 L450 L455 L456 D457L449-V453 HydrophobicContact CD1-CG2 4.31Å; L449-V453 HydrophobicContact CG-CG2 4.41Å; L449-V453 WeakPolarHBondContact O-CG2 3.43Å; L449-V453 PolarHBondContact O-N 2.92Å; L450-V453 PolarHBondContact O-N 3Å; V453-L455 VanDerWaalsContact C-N 3.34Å; V453-L455 PolarHBondContact O-N 3.04Å; V453-L456 WeakPolarHBondContact O-CB 3.25Å; V453-L456 PolarHBondContact O-N 3.46Å; V453-L456 VanDerWaalsContact O-N 3.16Å; V453-D457 PolarHBondContact O-N 2.91Å
454F94.8Very high90.9Very high44 Ų4429.5 Ų29.519%0.19315%0.147CC..Hα-helixtrans-58.7-43.6175.5172.2-101.4000112.7A415 C418 L419 L450 L451 L456 T458A415-F454 HydrophobicContact CB-CD2 4.23Å; A415-F454 HydrophobicContact CB-CE2 4.41Å; C418-F454 HydrophobicContact CB-CB 3.97Å; C418-F454 HydrophobicContact CB-CD2 4.42Å; L419-F454 HydrophobicContact CD1-CE2 3.72Å; L419-F454 HydrophobicContact CD1-CZ 4.36Å; L419-F454 HydrophobicContact CD2-CD2 4.1Å; L419-F454 HydrophobicContact CD2-CE1 4.47Å; L419-F454 HydrophobicContact CD2-CE2 3.59Å; L419-F454 HydrophobicContact CD2-CZ 3.8Å; L419-F454 HydrophobicContact CG-CD2 3.9Å; L419-F454 HydrophobicContact CG-CE2 3.49Å; L419-F454 VanDerWaalsContact CG-CE2 3.49Å; L419-F454 HydrophobicContact CG-CZ 4.2Å; L450-F454 WeakPolarHBondContact O-CB 3.36Å; L450-F454 PolarHBondContact O-N 3.06Å; L451-F454 HydrophobicContact CD1-CD1 4.42Å; L451-F454 PolarHBondContact O-N 3.23Å; F454-L456 VanDerWaalsContact C-N 3.34Å; F454-T458 WeakPolarHBondContact O-CB 3.32Å; F454-T458 PolarHBondContact O-N 3.14Å; F454-T458 PolarHBondContact O-OG1 2.85Å
455L95.7Very high91.1Very high35 Ų3529 Ų2918%0.18315%0.151CC..Hα-helixtrans-64.8-39.8176.1-67.5173.8000111.4L451 A452 V453 S459 F481 W524L451-L455 VanDerWaalsContact O-CG 3.3Å; L451-L455 WeakPolarHBondContact O-CG 3.37Å; L451-L455 PolarHBondContact O-N 2.84Å; A452-L455 PolarHBondContact O-N 2.91Å; V453-L455 VanDerWaalsContact C-N 3.34Å; V453-L455 PolarHBondContact O-N 3.04Å; L455-S459 VanDerWaalsContact O-CB 3.3Å; L455-S459 WeakPolarHBondContact O-CB 3.4Å; L455-S459 PolarHBondContact O-N 2.81Å; L455-S459 PolarHBondContact O-OG 3.31Å; L455-F481 HydrophobicContact CD2-CZ 4.03Å; L455-W524 HydrophobicContact CD1-CH2 3.72Å; L455-W524 HydrophobicContact CD1-CZ3 3.68Å
456L94.9Very high91.1Very high24 Ų2430.6 Ų30.613%0.12616%0.161CC..Hα-helixtrans-63.7-49.7176.6178.558.5000111.6A452 V453 F454 T458 S459 F460 L482 L486 C489A452-L456 WeakPolarHBondContact O-CB 3.45Å; A452-L456 PolarHBondContact O-N 3.02Å; V453-L456 WeakPolarHBondContact O-CB 3.25Å; V453-L456 PolarHBondContact O-N 3.46Å; V453-L456 VanDerWaalsContact O-N 3.16Å; F454-L456 VanDerWaalsContact C-N 3.34Å; L456-T458 VanDerWaalsContact C-N 3.34Å; L456-T458 PolarHBondContact O-N 2.98Å; L456-S459 PolarHBondContact O-N 3.02Å; L456-F460 WeakPolarHBondContact O-CB 3.48Å; L456-F460 PolarHBondContact O-N 2.99Å; L456-L482 HydrophobicContact CD1-CD2 4.49Å; L456-L486 HydrophobicContact CD1-CB 3.97Å; L456-L486 HydrophobicContact CD1-CD1 4.26Å; L456-L486 HydrophobicContact CD2-CD1 4.15Å; L456-C489 HydrophobicContact CD2-CB 4.01Å
457D94.2Very high90.9Very high7 Ų730.9 Ų30.94%0.03716%0.164CC..Hα-helixtrans-59.4-45.9177.6-71.6-27.9000110.8C411 S414 A415 V453 S459 F460 L461C411-D457 HydrophobicContact CB-CB 4.26Å; C411-D457 PolarHBondContact SG-OD1 2.86Å; C411-D457 VanDerWaalsContact SG-OD1 3.33Å; S414-D457 WeakPolarHBondContact CB-OD2 3.43Å; S414-D457 PolarHBondContact OG-OD2 3.05Å; A415-D457 HydrophobicContact CB-CB 4.03Å; A415-D457 PolarHBondContact N-OD2 3.38Å; V453-D457 PolarHBondContact O-N 2.91Å; D457-S459 PolarHBondContact O-N 3.17Å; D457-F460 PolarHBondContact O-N 2.85Å; D457-L461 WeakPolarHBondContact O-CB 3.46Å; D457-L461 VanDerWaalsContact O-CG 3.22Å; D457-L461 WeakPolarHBondContact O-CG 3.49Å; D457-L461 PolarHBondContact O-N 3.46Å
458T94Very high90.5Very high40 Ų4035.3 Ų35.325%0.24519%0.188CC..Hα-helixtrans-64.1-41.7178.1-54.10000111.5F454 L456 F460 L461 L462F454-T458 WeakPolarHBondContact O-CB 3.32Å; F454-T458 PolarHBondContact O-N 3.14Å; F454-T458 PolarHBondContact O-OG1 2.85Å; L456-T458 VanDerWaalsContact C-N 3.34Å; L456-T458 PolarHBondContact O-N 2.98Å; T458-F460 VanDerWaalsContact C-N 3.34Å; T458-F460 PolarHBondContact O-N 3.46Å; T458-L461 PolarHBondContact O-N 2.92Å; T458-L462 HydrophobicContact CG2-CD1 3.96Å; T458-L462 HydrophobicContact CG2-CG 4.45Å; T458-L462 WeakPolarHBondContact O-CB 3.4Å; T458-L462 VanDerWaalsContact O-CG 3.24Å; T458-L462 WeakPolarHBondContact O-CG 3.17Å; T458-L462 PolarHBondContact O-N 3.4Å
459S94Very high90Very high0 Ų038 Ų380%021%0.206CC..Hα-helixtrans-62.3-43177-57.20000111.7L455 L456 D457 L462 S463 F481 S485L455-S459 VanDerWaalsContact O-CB 3.3Å; L455-S459 WeakPolarHBondContact O-CB 3.4Å; L455-S459 PolarHBondContact O-N 2.81Å; L455-S459 PolarHBondContact O-OG 3.31Å; L456-S459 PolarHBondContact O-N 3.02Å; D457-S459 PolarHBondContact O-N 3.17Å; S459-L462 PolarHBondContact O-N 3.46Å; S459-S463 PolarHBondContact O-N 3.46Å; S459-S463 VanDerWaalsContact O-N 3.12Å; S459-F481 WeakPolarHBondContact OG-CD1 3.28Å; S459-F481 WeakPolarHBondContact OG-CE1 2.85Å; S459-S485 PolarHBondContact OG-OG 3.48Å; S459-S485 VanDerWaalsContact OG-OG 3.07Å
460F92.5Very high89.3Confident72 Ų7241 Ų4132%0.31624%0.238SC..Hα-helixtrans-64.2-47.1178.1-176.2-101.4000111.2C411 L456 D457 T458 L462 S463 L482C411-F460 HydrophobicContact CB-CD1 4.36Å; L456-F460 WeakPolarHBondContact O-CB 3.48Å; L456-F460 PolarHBondContact O-N 2.99Å; D457-F460 PolarHBondContact O-N 2.85Å; T458-F460 VanDerWaalsContact C-N 3.34Å; T458-F460 PolarHBondContact O-N 3.46Å; F460-L462 VanDerWaalsContact C-N 3.28Å; F460-L462 PolarHBondContact O-N 3.11Å; F460-S463 WeakPolarHBondContact O-CB 3.48Å; F460-S463 PolarHBondContact O-N 2.92Å; F460-S463 VanDerWaalsContact O-N 3.15Å; F460-S463 PolarHBondContact O-OG 2.92Å; F460-L482 HydrophobicContact CB-CD1 4.41Å; F460-L482 HydrophobicContact CD2-CD1 4.37Å
461L92.5Very high88.9Confident34 Ų3443.6 Ų43.618%0.17826%0.256CS..Hα-helixtrans-63.3-30.7177.5-68.4171.6000113.3Y408 C411 V412 D457 T458 P465Y408-L461 HydrophobicContact CD2-CD2 3.56Å; Y408-L461 HydrophobicContact CE2-CD2 3.57Å; Y408-L461 HydrophobicContact CG-CD2 4.12Å; C411-L461 HydrophobicContact CB-CD1 4.4Å; C411-L461 HydrophobicContact CB-CD2 4.11Å; C411-L461 HydrophobicContact CB-CG 4.14Å; V412-L461 HydrophobicContact CG2-CD1 3.86Å; V412-L461 HydrophobicContact CG2-CD2 3.75Å; V412-L461 HydrophobicContact CG2-CG 4.49Å; D457-L461 WeakPolarHBondContact O-CB 3.46Å; D457-L461 VanDerWaalsContact O-CG 3.22Å; D457-L461 WeakPolarHBondContact O-CG 3.49Å; D457-L461 PolarHBondContact O-N 3.46Å; T458-L461 PolarHBondContact O-N 2.92Å; L461-P465 WeakPolarHBondContact O-CD 3.45Å; L461-P465 WeakPolarHBondContact O-CG 3.39Å
462L91.7Very high88.4Confident83 Ų8347 Ų4744%0.43527%0.27SS..Hα-helixtrans-78.9-23.9176.1-72.6171.6000113.3T458 S459 F460 E464 P465 V466T458-L462 HydrophobicContact CG2-CD1 3.96Å; T458-L462 HydrophobicContact CG2-CG 4.45Å; T458-L462 WeakPolarHBondContact O-CB 3.4Å; T458-L462 VanDerWaalsContact O-CG 3.24Å; T458-L462 WeakPolarHBondContact O-CG 3.17Å; T458-L462 PolarHBondContact O-N 3.4Å; S459-L462 PolarHBondContact O-N 3.46Å; F460-L462 VanDerWaalsContact C-N 3.28Å; F460-L462 PolarHBondContact O-N 3.11Å; L462-E464 PolarHBondContact O-N 2.77Å; L462-P465 WeakPolarHBondContact O-CD 3.48Å; L462-V466 VanDerWaalsContact O-CB 3.29Å; L462-V466 WeakPolarHBondContact O-CB 3.41Å; L462-V466 WeakPolarHBondContact O-CG2 3.37Å; L462-V466 PolarHBondContact O-N 2.91Å
463S88.3Confident88Confident5 Ų550.2 Ų50.24%0.03530%0.297CS..Hα-helixtrans-62.6-40-170.670.70000114.3S459 F460 A467S459-S463 PolarHBondContact O-N 3.46Å; S459-S463 VanDerWaalsContact O-N 3.12Å; F460-S463 WeakPolarHBondContact O-CB 3.48Å; F460-S463 PolarHBondContact O-N 2.92Å; F460-S463 VanDerWaalsContact O-N 3.15Å; F460-S463 PolarHBondContact O-OG 2.92Å; S463-A467 WeakPolarHBondContact O-CB 3.26Å; S463-A467 PolarHBondContact O-N 2.85Å; S463-A467 VanDerWaalsContact O-N 3.11Å
464E84.7Confident87.8Confident66 Ų6651.3 Ų51.331%0.30831%0.308SS..Hα-helixtrans-74-52179168.5-179.6-170.400111.7L462 V466 A467 L468L462-E464 PolarHBondContact O-N 2.77Å; E464-V466 VanDerWaalsContact C-N 3.28Å; E464-V466 PolarHBondContact O-N 2.84Å; E464-A467 WeakPolarHBondContact O-CB 3.39Å; E464-A467 PolarHBondContact O-N 2.73Å; E464-A467 VanDerWaalsContact O-N 3.15Å; E464-L468 HydrophobicContact CG-CD1 4.3Å; E464-L468 WeakPolarHBondContact O-CG 3.4Å; E464-L468 PolarHBondContact O-N 3.01Å
465P86.9Confident87.5Confident61 Ų6149.3 Ų49.340%0.39630%0.3SS..Hα-helixtrans-54.9-41.7174.1-27.233.7000113.4L461 L462 L468 T469L461-P465 WeakPolarHBondContact O-CD 3.45Å; L461-P465 WeakPolarHBondContact O-CG 3.39Å; L462-P465 WeakPolarHBondContact O-CD 3.48Å; P465-L468 PolarHBondContact O-N 3.48Å; P465-T469 WeakPolarHBondContact O-CG2 3.46Å; P465-T469 PolarHBondContact O-N 3.17Å
466V85.9Confident87.2Confident33 Ų3351.1 Ų51.120%0.230%0.304CS..Hα-helixtrans-67.5-39.7179.3173.30000111.1L462 E464 L468 T469 G474L462-V466 VanDerWaalsContact O-CB 3.29Å; L462-V466 WeakPolarHBondContact O-CB 3.41Å; L462-V466 WeakPolarHBondContact O-CG2 3.37Å; L462-V466 PolarHBondContact O-N 2.91Å; E464-V466 VanDerWaalsContact C-N 3.28Å; E464-V466 PolarHBondContact O-N 2.84Å; V466-L468 VanDerWaalsContact C-N 3.28Å; V466-L468 PolarHBondContact O-N 3.47Å; V466-T469 PolarHBondContact O-N 3.43Å; V466-T469 PolarHBondContact O-OG1 3.21Å; V466-G474 WeakPolarHBondContact CG1-O 3.39Å
467A80.4Confident87.1Confident13 Ų1352.9 Ų52.911%0.10732%0.322CS..Hα-helixtrans-61.4-39.117500000111.9S463 E464 T469 G470 S560 C562S463-A467 WeakPolarHBondContact O-CB 3.26Å; S463-A467 PolarHBondContact O-N 2.85Å; S463-A467 VanDerWaalsContact O-N 3.11Å; E464-A467 WeakPolarHBondContact O-CB 3.39Å; E464-A467 PolarHBondContact O-N 2.73Å; E464-A467 VanDerWaalsContact O-N 3.15Å; A467-T469 VanDerWaalsContact C-N 3.27Å; A467-T469 PolarHBondContact O-N 3.11Å; A467-G470 PolarHBondContact O-N 3.01Å; A467-S560 WeakPolarHBondContact CB-O 3.49Å; A467-S560 VanDerWaalsContact CB-OG 3.28Å; A467-S560 WeakPolarHBondContact CB-OG 3.26Å; A467-C562 VanDerWaalsContact CB-SG 3.6Å
468L78.1Confident87Confident109 Ų10953 Ų5357%0.57132%0.324SS*.Hα-helixtrans-66.7-23.9177.3-69.3170.1000113.7E464 P465 V466 G470E464-L468 HydrophobicContact CG-CD1 4.3Å; E464-L468 WeakPolarHBondContact O-CG 3.4Å; E464-L468 PolarHBondContact O-N 3.01Å; P465-L468 PolarHBondContact O-N 3.48Å; V466-L468 VanDerWaalsContact C-N 3.28Å; V466-L468 PolarHBondContact O-N 3.47Å; L468-G470 PolarHBondContact O-N 3.38Å
469T81.8Confident86.9Confident101 Ų10151.1 Ų51.162%0.6231%0.312SS*.THydrogen-bonded Turntrans-68.7-1617666.50000113.9P465 V466 A467 S471P465-T469 WeakPolarHBondContact O-CG2 3.46Å; P465-T469 PolarHBondContact O-N 3.17Å; V466-T469 PolarHBondContact O-N 3.43Å; V466-T469 PolarHBondContact O-OG1 3.21Å; A467-T469 VanDerWaalsContact C-N 3.27Å; A467-T469 PolarHBondContact O-N 3.11Å; T469-S471 PolarHBondContact O-N 3.07Å
470G74.6Confident87Confident65 Ų6553.5 Ų53.567%0.6732%0.324SS*.THydrogen-bonded Turntrans71.34.8-178.900000115.1A467 L468 E472A467-G470 PolarHBondContact O-N 3.01Å; L468-G470 PolarHBondContact O-N 3.38Å; G470-E472 PolarHBondContact O-N 3.48Å
471S81.8Confident87.1Confident56 Ų5653.5 Ų53.539%0.39232%0.324SS..  trans-79.1110.9176177.60000111T469 A473 G474 C475T469-S471 PolarHBondContact O-N 3.07Å; S471-A473 VanDerWaalsContact C-N 3.32Å; S471-A473 PolarHBondContact O-N 3.17Å; S471-G474 PolarHBondContact O-N 3.27Å; S471-G474 PolarHBondContact OG-N 2.6Å; S471-G474 VanDerWaalsContact OG-N 3.14Å; S471-C475 WeakPolarHBondContact O-CB 3.45Å; S471-C475 PolarHBondContact O-N 3.26Å
472E82.4Confident87.2Confident136 Ų13652.7 Ų52.764%0.63632%0.32SS*.Hα-helixtrans-58.1-43.8176.2-68.3-173.2174.200112.1G470 C475 R476G470-E472 PolarHBondContact O-N 3.48Å; E472-C475 PolarHBondContact O-N 3.05Å; E472-R476 WeakPolarHBondContact O-CB 3.4Å; E472-R476 WeakPolarHBondContact O-CG 3.27Å; E472-R476 PolarHBondContact O-N 3.04Å
473A86.1Confident87.3Confident68 Ų6848.7 Ų48.756%0.56230%0.299SS*.Hα-helixtrans-65.8-41.6178.900000111.8S471 R476 A477S471-A473 VanDerWaalsContact C-N 3.32Å; S471-A473 PolarHBondContact O-N 3.17Å; A473-R476 PolarHBondContact O-N 3.08Å; A473-A477 WeakPolarHBondContact O-CB 3.4Å; A473-A477 PolarHBondContact O-N 3.05Å
474G88Confident87.7Confident25 Ų2550.2 Ų50.226%0.25831%0.305SS..Hα-helixtrans-61.9-44.5175.200000111.6V466 S471 A477 S478V466-G474 WeakPolarHBondContact CG1-O 3.39Å; S471-G474 PolarHBondContact O-N 3.27Å; S471-G474 PolarHBondContact OG-N 2.6Å; S471-G474 VanDerWaalsContact OG-N 3.14Å; G474-A477 PolarHBondContact O-N 2.8Å; G474-S478 WeakPolarHBondContact O-CB 3.1Å; G474-S478 PolarHBondContact O-N 2.96Å
475C88.4Confident88.2Confident3 Ų347.1 Ų47.12%0.0229%0.29CS..Hα-helixtrans-65.2-43.8179.3-168.70000112.4S471 E472 A477 S478 A479 C562S471-C475 WeakPolarHBondContact O-CB 3.45Å; S471-C475 PolarHBondContact O-N 3.26Å; E472-C475 PolarHBondContact O-N 3.05Å; C475-A477 PolarHBondContact O-N 3.49Å; C475-S478 PolarHBondContact O-N 2.97Å; C475-A479 WeakPolarHBondContact O-CB 3.45Å; C475-A479 PolarHBondContact O-N 2.91Å; C475-C562 WeakPolarHBondContact CA-SG 3.49Å; C475-C562 HydrophobicContact CB-CB 4.12Å; C475-C562 WeakPolarHBondContact CB-SG 3.45Å; C475-C562 WeakPolarHBondContact O-CB 3.33Å; C475-C562 VanDerWaalsContact SG-CA 3.52Å; C475-C562 WeakPolarHBondContact SG-CB 3.18Å; C475-C562 CovalentContact SG-SG 2.03Å; C475-C562 PolarHBondContact SG-SG 3.19Å
476R90.1Very high88.5Confident73 Ų7345.2 Ų45.228%0.27528%0.277SS..Hα-helixtrans-57.1-48.4172.6-77.3176.6179.5145.73.1111.7E472 A473 S478 A479 I480 D540 Y542E472-R476 WeakPolarHBondContact O-CB 3.4Å; E472-R476 WeakPolarHBondContact O-CG 3.27Å; E472-R476 PolarHBondContact O-N 3.04Å; A473-R476 PolarHBondContact O-N 3.08Å; R476-S478 PolarHBondContact O-N 2.81Å; R476-A479 PolarHBondContact O-N 3.46Å; R476-I480 WeakPolarHBondContact O-CB 3.42Å; R476-I480 VanDerWaalsContact O-CG1 3.25Å; R476-I480 WeakPolarHBondContact O-CG1 3.07Å; R476-I480 PolarHBondContact O-N 2.93Å; R476-D540 IonicContact CZ-OD1 3.96Å; R476-D540 IonicContact NE-OD1 3.49Å; R476-D540 IonicContact NH2-OD1 3.32Å; R476-D540 PolarHBondContact NH2-OD1 3.27Å; R476-Y542 WeakPolarHBondContact CG-O 3.26Å
477A92.2Very high88.9Confident60 Ų6043.7 Ų43.750%0.49627%0.267SS..Hα-helixtrans-61.8-43.7178.700000112A473 G474 C475 I480 F481A473-A477 WeakPolarHBondContact O-CB 3.4Å; A473-A477 PolarHBondContact O-N 3.05Å; G474-A477 PolarHBondContact O-N 2.8Å; C475-A477 PolarHBondContact O-N 3.49Å; A477-I480 PolarHBondContact O-N 2.98Å; A477-F481 WeakPolarHBondContact O-CB 3.36Å; A477-F481 PolarHBondContact O-N 3.47Å
478S92.9Very high89.6Confident11 Ų1143.1 Ų43.18%0.07726%0.263CS..Hα-helixtrans-63.5-40.9176.2-1740000112.3G474 C475 R476 F481 L482G474-S478 WeakPolarHBondContact O-CB 3.1Å; G474-S478 PolarHBondContact O-N 2.96Å; C475-S478 PolarHBondContact O-N 2.97Å; R476-S478 PolarHBondContact O-N 2.81Å; S478-F481 PolarHBondContact O-N 3.16Å; S478-L482 WeakPolarHBondContact O-CB 3.38Å; S478-L482 PolarHBondContact O-N 3.33Å
479A92.6Very high90.3Very high0 Ų037.9 Ų37.90%024%0.235CC..Hα-helixtrans-66.2-43.4178.400000111.8C475 R476 F481 L482 H483 Y542 C562C475-A479 WeakPolarHBondContact O-CB 3.45Å; C475-A479 PolarHBondContact O-N 2.91Å; R476-A479 PolarHBondContact O-N 3.46Å; A479-F481 VanDerWaalsContact C-N 3.32Å; A479-F481 PolarHBondContact O-N 3.34Å; A479-L482 PolarHBondContact O-N 3.05Å; A479-H483 WeakPolarHBondContact O-CB 3.34Å; A479-H483 PolarHBondContact O-N 2.76Å; A479-Y542 HydrophobicContact CB-CD1 3.95Å; A479-Y542 HydrophobicContact CB-CG 4.47Å; A479-C562 HydrophobicContact CB-CB 4.15Å
480I94.2Very high90.8Very high49 Ų4933.4 Ų33.425%0.25121%0.208SC..Hα-helixtrans-59.8-44.8174.1-70.5167.8000110.2R476 A477 H483 F484 V531 Y542R476-I480 WeakPolarHBondContact O-CB 3.42Å; R476-I480 VanDerWaalsContact O-CG1 3.25Å; R476-I480 WeakPolarHBondContact O-CG1 3.07Å; R476-I480 PolarHBondContact O-N 2.93Å; A477-I480 PolarHBondContact O-N 2.98Å; I480-H483 PolarHBondContact O-N 2.85Å; I480-F484 WeakPolarHBondContact O-CB 3.27Å; I480-F484 PolarHBondContact O-N 2.96Å; I480-V531 HydrophobicContact CG2-CG1 3.72Å; I480-Y542 HydrophobicContact CD1-CD2 4.22Å; I480-Y542 HydrophobicContact CG1-CD1 4.01Å; I480-Y542 HydrophobicContact CG1-CD2 3.73Å; I480-Y542 HydrophobicContact CG1-CE1 4.19Å; I480-Y542 HydrophobicContact CG1-CE2 3.91Å; I480-Y542 HydrophobicContact CG1-CG 3.78Å
481F95.3Very high91.6Very high73 Ų7331.2 Ų31.232%0.3218%0.182SC..Hα-helixtrans-65.9-39.5179.6-172.5-119.7000112.6L455 S459 A477 S478 A479 F484 S485L455-F481 HydrophobicContact CD2-CZ 4.03Å; S459-F481 WeakPolarHBondContact OG-CD1 3.28Å; S459-F481 WeakPolarHBondContact OG-CE1 2.85Å; A477-F481 WeakPolarHBondContact O-CB 3.36Å; A477-F481 PolarHBondContact O-N 3.47Å; S478-F481 PolarHBondContact O-N 3.16Å; A479-F481 VanDerWaalsContact C-N 3.32Å; A479-F481 PolarHBondContact O-N 3.34Å; F481-F484 HydrophobicContact CD2-CD1 4.37Å; F481-S485 WeakPolarHBondContact O-CB 3.41Å; F481-S485 PolarHBondContact O-N 2.94Å; F481-S485 PolarHBondContact O-OG 2.97Å
482L94.4Very high92.1Very high16 Ų1628.5 Ų28.58%0.08416%0.163CC..Hα-helixtrans-65.1-45.5175.1-156155.2000111.3L456 F460 S478 A479 S485 L486 W563L456-L482 HydrophobicContact CD1-CD2 4.49Å; F460-L482 HydrophobicContact CB-CD1 4.41Å; F460-L482 HydrophobicContact CD2-CD1 4.37Å; S478-L482 WeakPolarHBondContact O-CB 3.38Å; S478-L482 PolarHBondContact O-N 3.33Å; A479-L482 PolarHBondContact O-N 3.05Å; L482-S485 PolarHBondContact O-N 3.01Å; L482-L486 WeakPolarHBondContact O-CB 2.95Å; L482-L486 PolarHBondContact O-N 3.05Å; L482-W563 HydrophobicContact CB-CE3 4.33Å; L482-W563 HydrophobicContact CB-CZ3 4.05Å; L482-W563 HydrophobicContact CD2-CE3 3.6Å; L482-W563 HydrophobicContact CD2-CH2 3.86Å; L482-W563 HydrophobicContact CD2-CZ3 3.08Å; L482-W563 HydrophobicContact CG-CE3 4.35Å; L482-W563 HydrophobicContact CG-CZ3 4.06Å
483H94.9Very high92.4Very high0 Ų022.1 Ų22.10%013%0.133CC..Hα-helixtrans-61.4-46.9177-176.7-151000111.4A479 I480 S485 L486 L487 Y542 W563 T573 N574A479-H483 WeakPolarHBondContact O-CB 3.34Å; A479-H483 PolarHBondContact O-N 2.76Å; I480-H483 PolarHBondContact O-N 2.85Å; H483-S485 PolarHBondContact O-N 2.88Å; H483-L486 PolarHBondContact O-N 2.78Å; H483-L487 WeakPolarHBondContact O-CG 3.43Å; H483-L487 PolarHBondContact O-N 2.9Å; H483-Y542 HydrophobicContact CB-CE1 4.21Å; H483-Y542 PolarHBondContact CE1-OH 2.96Å; H483-Y542 AromaticContact ND1-CE1 3.76Å; H483-Y542 AromaticContact ND1-CZ 3.78Å; H483-Y542 PolarHBondContact ND1-OH 3.48Å; H483-W563 HydrophobicContact CB-CH2 4.5Å; H483-W563 HydrophobicContact CB-CZ3 4.22Å; H483-T573 PolarHBondContact NE2-OG1 2.81Å; H483-N574 PolarHBondContact CD2-OD1 3.4Å; H483-N574 PolarHBondContact NE2-OD1 2.79Å
484F96Very high92.6Very high37 Ų3719.1 Ų19.116%0.16211%0.109CC..Hα-helixtrans-58.4-48.6175.2166.3-113000112.5I480 F481 L486 L487 T488 W524 P527 I528 V531I480-F484 WeakPolarHBondContact O-CB 3.27Å; I480-F484 PolarHBondContact O-N 2.96Å; F481-F484 HydrophobicContact CD2-CD1 4.37Å; F484-L486 VanDerWaalsContact C-N 3.31Å; F484-L486 PolarHBondContact O-N 2.65Å; F484-L487 PolarHBondContact O-N 3.47Å; F484-T488 WeakPolarHBondContact CD2-OG1 3.2Å; F484-T488 WeakPolarHBondContact CE2-OG1 2.97Å; F484-T488 VanDerWaalsContact O-CB 3.23Å; F484-T488 WeakPolarHBondContact O-CB 3.35Å; F484-T488 PolarHBondContact O-N 2.93Å; F484-T488 PolarHBondContact O-OG1 3.06Å; F484-W524 AromaticContact CZ-CE3 3.87Å; F484-W524 HydrophobicContact CZ-CE3 3.87Å; F484-W524 HydrophobicContact CZ-CZ3 4.17Å; F484-P527 HydrophobicContact CD2-CB 3.95Å; F484-P527 HydrophobicContact CE2-CB 4.03Å; F484-I528 HydrophobicContact CD2-CG1 4.09Å; F484-I528 HydrophobicContact CE2-CD1 4.27Å; F484-I528 HydrophobicContact CE2-CG1 3.48Å; F484-I528 VanDerWaalsContact CE2-CG1 3.48Å; F484-I528 HydrophobicContact CZ-CG1 4.14Å; F484-V531 HydrophobicContact CB-CG2 4.08Å
485S95.3Very high92.7Very high0 Ų019 Ų190%010%0.102CC..Hα-helixtrans-64.5-37.4-178.8-60.40000111.9S459 F481 L482 H483 C489S459-S485 PolarHBondContact OG-OG 3.48Å; S459-S485 VanDerWaalsContact OG-OG 3.07Å; F481-S485 WeakPolarHBondContact O-CB 3.41Å; F481-S485 PolarHBondContact O-N 2.94Å; F481-S485 PolarHBondContact O-OG 2.97Å; L482-S485 PolarHBondContact O-N 3.01Å; H483-S485 PolarHBondContact O-N 2.88Å; S485-C489 WeakPolarHBondContact O-CB 3.22Å; S485-C489 PolarHBondContact O-N 2.99Å
486L93.7Very high92.6Very high22 Ų2219 Ų1912%0.11510%0.102CC..Hα-helixtrans-63.3-53.3175.2179.666.8000111.4L456 L482 H483 F484 T488 C489 L490 W563 W623L456-L486 HydrophobicContact CD1-CB 3.97Å; L456-L486 HydrophobicContact CD1-CD1 4.26Å; L456-L486 HydrophobicContact CD2-CD1 4.15Å; L482-L486 WeakPolarHBondContact O-CB 2.95Å; L482-L486 PolarHBondContact O-N 3.05Å; H483-L486 PolarHBondContact O-N 2.78Å; F484-L486 VanDerWaalsContact C-N 3.31Å; F484-L486 PolarHBondContact O-N 2.65Å; L486-T488 PolarHBondContact O-N 2.77Å; L486-C489 WeakPolarHBondContact O-CB 3.28Å; L486-C489 PolarHBondContact O-N 3.38Å; L486-C489 VanDerWaalsContact O-N 3.17Å; L486-L490 HydrophobicContact CG-CD1 4.47Å; L486-L490 WeakPolarHBondContact O-CG 3.49Å; L486-L490 PolarHBondContact O-N 3.18Å; L486-W563 HydrophobicContact CD2-CH2 3.77Å; L486-W563 HydrophobicContact CD2-CZ2 4.33Å; L486-W623 HydrophobicContact CD1-CH2 3.83Å; L486-W623 HydrophobicContact CD1-CZ3 4.08Å
487L94.5Very high92.3Very high0 Ų015.9 Ų15.90%09%0.092CC..Hα-helixtrans-62.3-35.5-179.8-66.8-166.4000112.1H483 F484 L490 S491 P527 L530 V531 L577H483-L487 WeakPolarHBondContact O-CG 3.43Å; H483-L487 PolarHBondContact O-N 2.9Å; F484-L487 PolarHBondContact O-N 3.47Å; L487-L490 HydrophobicContact CD2-CD1 4.48Å; L487-S491 WeakPolarHBondContact O-CB 3.27Å; L487-S491 PolarHBondContact O-N 2.9Å; L487-S491 PolarHBondContact O-OG 3.2Å; L487-P527 HydrophobicContact CB-CB 3.87Å; L487-P527 HydrophobicContact CB-CG 4.26Å; L487-L530 HydrophobicContact CD1-CB 4.12Å; L487-L530 HydrophobicContact CD1-CD1 4.24Å; L487-V531 HydrophobicContact CD1-CG2 4.09Å; L487-L577 HydrophobicContact CD1-CD1 4.01Å; L487-L577 HydrophobicContact CD2-CD1 3.57Å; L487-L577 HydrophobicContact CG-CD1 4.27Å
488T95Very high92Very high1 Ų116.8 Ų16.81%0.0068%0.083CC..Hα-helixtrans-66.2-44.8175.1-60.40000111.7A452 F484 L486 S491 W492 W524 P527A452-T488 HydrophobicContact CB-CG2 3.91Å; F484-T488 WeakPolarHBondContact CD2-OG1 3.2Å; F484-T488 WeakPolarHBondContact CE2-OG1 2.97Å; F484-T488 VanDerWaalsContact O-CB 3.23Å; F484-T488 WeakPolarHBondContact O-CB 3.35Å; F484-T488 PolarHBondContact O-N 2.93Å; F484-T488 PolarHBondContact O-OG1 3.06Å; L486-T488 PolarHBondContact O-N 2.77Å; T488-S491 PolarHBondContact O-N 2.83Å; T488-W492 VanDerWaalsContact O-CD1 3.3Å; T488-W492 PolarHBondContact O-N 2.94Å; T488-W524 HydrophobicContact CG2-CD2 4Å; T488-W524 HydrophobicContact CG2-CE3 3.42Å; T488-W524 VanDerWaalsContact CG2-CE3 3.42Å; T488-W524 HydrophobicContact CG2-CH2 3.98Å; T488-W524 HydrophobicContact CG2-CZ2 4.49Å; T488-W524 HydrophobicContact CG2-CZ3 3.44Å; T488-W524 VanDerWaalsContact CG2-CZ3 3.44Å; T488-P527 WeakPolarHBondContact OG1-CB 2.95Å
489C92.4Very high91.6Very high0 Ų016.7 Ų16.70%08%0.082CC..Hα-helixtrans-57.2-51174.4-172.10000110.5A452 L456 S485 L486 S491 W492 M493A452-C489 HydrophobicContact CB-CB 4.4Å; L456-C489 HydrophobicContact CD2-CB 4.01Å; S485-C489 WeakPolarHBondContact O-CB 3.22Å; S485-C489 PolarHBondContact O-N 2.99Å; L486-C489 WeakPolarHBondContact O-CB 3.28Å; L486-C489 PolarHBondContact O-N 3.38Å; L486-C489 VanDerWaalsContact O-N 3.17Å; C489-S491 VanDerWaalsContact C-N 3.34Å; C489-S491 PolarHBondContact O-N 2.87Å; C489-W492 PolarHBondContact O-N 2.77Å; C489-M493 WeakPolarHBondContact O-CG 3.45Å; C489-M493 PolarHBondContact O-N 3.35Å
490L91.5Very high90.9Very high7 Ų717 Ų174%0.0378%0.084CC..Hα-helixtrans-58.5-43.1177.3-67.5177.5000112.7L486 L487 M493 G494 F578L486-L490 HydrophobicContact CG-CD1 4.47Å; L486-L490 WeakPolarHBondContact O-CG 3.49Å; L486-L490 PolarHBondContact O-N 3.18Å; L487-L490 HydrophobicContact CD2-CD1 4.48Å; L490-M493 HydrophobicContact CD2-SD 4.31Å; L490-M493 PolarHBondContact O-N 3.42Å; L490-G494 PolarHBondContact O-N 2.84Å; L490-F578 HydrophobicContact CD1-CB 4.21Å; L490-F578 HydrophobicContact CD2-CD2 3.89Å
491S92.2Very high90.3Very high18 Ų1817.8 Ų17.813%0.1268%0.084CC..Hα-helixtrans-62.7-46178-60.80000111.2L487 T488 C489 M493 G494 L495 P527L487-S491 WeakPolarHBondContact O-CB 3.27Å; L487-S491 PolarHBondContact O-N 2.9Å; L487-S491 PolarHBondContact O-OG 3.2Å; T488-S491 PolarHBondContact O-N 2.83Å; C489-S491 VanDerWaalsContact C-N 3.34Å; C489-S491 PolarHBondContact O-N 2.87Å; S491-M493 VanDerWaalsContact C-N 3.35Å; S491-M493 PolarHBondContact O-N 2.96Å; S491-G494 PolarHBondContact O-N 2.8Å; S491-L495 WeakPolarHBondContact O-CG 3.29Å; S491-L495 PolarHBondContact O-N 3.24Å; S491-P527 WeakPolarHBondContact OG-CG 3.43Å
492W92.3Very high89.6Confident0 Ų016 Ų160%08%0.075CC..Hα-helixtrans-66.9-32.9176.3-82.5106.1000113.3V445 N448 L449 T488 C489 L495 E496 L519 W524V445-W492 HydrophobicContact CG1-CE3 4.21Å; V445-W492 HydrophobicContact CG1-CZ3 4.1Å; N448-W492 HydrophobicContact CB-CD2 3.81Å; N448-W492 HydrophobicContact CB-CE3 3.82Å; N448-W492 HydrophobicContact CB-CH2 3.65Å; N448-W492 HydrophobicContact CB-CZ2 3.59Å; N448-W492 HydrophobicContact CB-CZ3 3.75Å; N448-W492 WeakPolarHBondContact ND2-CH2 3.12Å; L449-W492 HydrophobicContact CB-CB 4.19Å; L449-W492 HydrophobicContact CD1-CB 3.75Å; T488-W492 VanDerWaalsContact O-CD1 3.3Å; T488-W492 PolarHBondContact O-N 2.94Å; C489-W492 PolarHBondContact O-N 2.77Å; W492-L495 HydrophobicContact CD2-CD1 4.47Å; W492-L495 HydrophobicContact CE3-CB 4.31Å; W492-L495 HydrophobicContact CE3-CD1 4.17Å; W492-L495 HydrophobicContact CZ3-CD1 4.22Å; W492-L495 PolarHBondContact O-N 2.92Å; W492-E496 WeakPolarHBondContact O-CB 3.4Å; W492-E496 PolarHBondContact O-N 3.09Å; W492-L519 HydrophobicContact CH2-CB 4.44Å; W492-W524 AromaticContact CE2-CD1 3.98Å; W492-W524 AromaticContact CE2-NE1 3.56Å; W492-W524 AromaticContact CZ2-CD1 3.6Å; W492-W524 AromaticContact CZ2-NE1 3.3Å; W492-W524 VanDerWaalsContact CZ2-NE1 3.3Å; W492-W524 AromaticContact NE1-CD1 3.72Å; W492-W524 AromaticContact NE1-CD2 3.83Å; W492-W524 AromaticContact NE1-CE2 3.37Å; W492-W524 AromaticContact NE1-CZ2 3.79Å; W492-W524 AromaticContact NE1-NE1 3.32Å
493M89.2Confident88.7Confident2 Ų219 Ų191%0.019%0.091CC..Hα-helixtrans-62.4-44173.4-69.4166.685.300111.1L449 C489 L490 S491 E496 G497 L619 W623 Q650L449-M493 HydrophobicContact CD1-CG 3.63Å; C489-M493 WeakPolarHBondContact O-CG 3.45Å; C489-M493 PolarHBondContact O-N 3.35Å; L490-M493 HydrophobicContact CD2-SD 4.31Å; L490-M493 PolarHBondContact O-N 3.42Å; S491-M493 VanDerWaalsContact C-N 3.35Å; S491-M493 PolarHBondContact O-N 2.96Å; M493-E496 PolarHBondContact O-N 2.94Å; M493-G497 PolarHBondContact O-N 2.94Å; M493-G497 VanDerWaalsContact O-N 3.08Å; M493-L619 VanDerWaalsContact CE-C 3.49Å; M493-L619 WeakPolarHBondContact CE-O 3.32Å; M493-L619 HydrophobicContact CG-CD2 4.48Å; M493-W623 VanDerWaalsContact CE-CD1 3.48Å; M493-W623 HydrophobicContact CE-CG 4.46Å; M493-Q650 VanDerWaalsContact CE-NE2 3.29Å
494G89.3Confident87.7Confident5 Ų520.7 Ų20.75%0.05210%0.101CC..Hα-helixtrans-63.1-43173.300000112.9L490 S491 E496 G497 Y498L490-G494 PolarHBondContact O-N 2.84Å; S491-G494 PolarHBondContact O-N 2.8Å; G494-E496 PolarHBondContact O-N 2.76Å; G494-G497 PolarHBondContact O-N 3.44Å; G494-Y498 PolarHBondContact O-N 2.8Å
495L90.2Very high86.6Confident23 Ų2320.4 Ų20.412%0.1210%0.102CC..Hα-helixtrans-67.6-33.8177.9-67.6-178.3000113S491 W492 Y498 N499 L519 M522S491-L495 WeakPolarHBondContact O-CG 3.29Å; S491-L495 PolarHBondContact O-N 3.24Å; W492-L495 HydrophobicContact CD2-CD1 4.47Å; W492-L495 HydrophobicContact CE3-CB 4.31Å; W492-L495 HydrophobicContact CE3-CD1 4.17Å; W492-L495 HydrophobicContact CZ3-CD1 4.22Å; W492-L495 PolarHBondContact O-N 2.92Å; L495-Y498 PolarHBondContact O-N 2.9Å; L495-N499 WeakPolarHBondContact O-CB 3.45Å; L495-N499 PolarHBondContact O-N 2.99Å; L495-L519 HydrophobicContact CB-CD2 4.46Å; L495-L519 HydrophobicContact CD1-CB 4.4Å; L495-L519 HydrophobicContact CD1-CD2 4.23Å; L495-L519 VanDerWaalsContact CD1-O 3.28Å; L495-L519 WeakPolarHBondContact CD1-O 3.33Å; L495-L519 HydrophobicContact CD2-CD2 3.73Å; L495-L519 HydrophobicContact CG-CD2 4.34Å; L495-M522 HydrophobicContact CD1-CB 4.4Å; L495-M522 HydrophobicContact CD2-CG 4.36Å
496E86Confident85.4Confident3 Ų323.5 Ų23.51%0.01412%0.117CC..Hα-helixtrans-66.3-44.6173.2-176.6157.6168.400111V445 H446 L449 W492 M493 G494 Y498 N499 L500 L619V445-E496 HydrophobicContact CG1-CB 4.21Å; H446-E496 IonicContact CE1-OE1 2.81Å; H446-E496 PolarHBondContact CE1-OE1 3.13Å; H446-E496 IonicContact CG-OE1 3.5Å; H446-E496 IonicContact ND1-OE1 2.86Å; H446-E496 PolarHBondContact ND1-OE1 3.37Å; H446-E496 IonicContact ND1-OE2 2.74Å; H446-E496 PolarHBondContact ND1-OE2 2.88Å; L449-E496 WeakPolarHBondContact CD2-OE2 3.06Å; W492-E496 WeakPolarHBondContact O-CB 3.4Å; W492-E496 PolarHBondContact O-N 3.09Å; M493-E496 PolarHBondContact O-N 2.94Å; G494-E496 PolarHBondContact O-N 2.76Å; E496-Y498 VanDerWaalsContact C-N 3.3Å; E496-Y498 PolarHBondContact O-N 2.9Å; E496-N499 PolarHBondContact O-N 3.1Å; E496-N499 VanDerWaalsContact O-N 3.16Å; E496-L500 HydrophobicContact CG-CD1 4.18Å; E496-L500 VanDerWaalsContact O-CG 3.3Å; E496-L500 WeakPolarHBondContact O-CG 3.28Å; E496-L500 PolarHBondContact O-N 3.25Å; E496-L619 HydrophobicContact CB-CD1 4.25Å; E496-L619 HydrophobicContact CG-CD1 3.68Å
497G85Confident83.8Confident6 Ų628.8 Ų28.86%0.06215%0.15CC..Hα-helixtrans-54.4-45.6171.800000112.3M493 G494 L500 Y501 M588M493-G497 PolarHBondContact O-N 2.94Å; M493-G497 VanDerWaalsContact O-N 3.08Å; G494-G497 PolarHBondContact O-N 3.44Å; G497-L500 PolarHBondContact O-N 3.46Å; G497-Y501 PolarHBondContact O-N 2.88Å; G497-M588 VanDerWaalsContact C-CE 3.46Å; G497-M588 VanDerWaalsContact C-SD 3.52Å
498Y85.8Confident81.7Confident79 Ų7936.6 Ų36.631%0.3118%0.184SC..Hα-helixtrans-64.3-42.1176.4179.5-109.6000112.9G494 L495 E496 L500 Y501 R502 Y515 F584 M588G494-Y498 PolarHBondContact O-N 2.8Å; L495-Y498 PolarHBondContact O-N 2.9Å; E496-Y498 VanDerWaalsContact C-N 3.3Å; E496-Y498 PolarHBondContact O-N 2.9Å; Y498-L500 VanDerWaalsContact C-N 3.3Å; Y498-L500 PolarHBondContact O-N 2.78Å; Y498-Y501 WeakPolarHBondContact O-CB 3.33Å; Y498-Y501 PolarHBondContact O-N 2.86Å; Y498-R502 HydrophobicContact CE1-CG 4.15Å; Y498-R502 HydrophobicContact CE2-CG 4.21Å; Y498-R502 PolarHBondContact O-N 3.41Å; Y498-Y515 HydrophobicContact CE1-CE2 4.42Å; Y498-F584 HydrophobicContact CD2-CZ 4.08Å; Y498-F584 HydrophobicContact CG-CZ 4.45Å; Y498-M588 WeakPolarHBondContact CA-SD 3.14Å; Y498-M588 HydrophobicContact CD2-SD 4.35Å; Y498-M588 PolarHBondContact N-SD 3.46Å
499N82.7Confident79.7Confident10 Ų1040 Ų405%0.05322%0.218CC..Hα-helixtrans-64.4-36.5177.4-176.274000112T442 V445 L495 E496 L503 Y515T442-N499 WeakPolarHBondContact CA-ND2 3.39Å; T442-N499 PolarHBondContact OG1-ND2 3.29Å; T442-N499 VanDerWaalsContact OG1-ND2 3.13Å; V445-N499 HydrophobicContact CG1-CB 4.39Å; L495-N499 WeakPolarHBondContact O-CB 3.45Å; L495-N499 PolarHBondContact O-N 2.99Å; E496-N499 PolarHBondContact O-N 3.1Å; E496-N499 VanDerWaalsContact O-N 3.16Å; N499-L503 WeakPolarHBondContact O-CB 3.22Å; N499-L503 PolarHBondContact O-N 3.47Å; N499-Y515 PolarHBondContact OD1-OH 2.83Å
500L79.5Confident78.1Confident6 Ų644 Ų443%0.03124%0.243CC..Hα-helixtrans-68.7-41.3174.3-67.7166.6000112.1E496 G497 Y498 R502 L503 V504 M592 L612 L615E496-L500 HydrophobicContact CG-CD1 4.18Å; E496-L500 VanDerWaalsContact O-CG 3.3Å; E496-L500 WeakPolarHBondContact O-CG 3.28Å; E496-L500 PolarHBondContact O-N 3.25Å; G497-L500 PolarHBondContact O-N 3.46Å; Y498-L500 VanDerWaalsContact C-N 3.3Å; Y498-L500 PolarHBondContact O-N 2.78Å; L500-R502 PolarHBondContact O-N 3.5Å; L500-L503 WeakPolarHBondContact O-CB 3.48Å; L500-L503 PolarHBondContact O-N 3.42Å; L500-V504 WeakPolarHBondContact O-CG2 3.47Å; L500-V504 PolarHBondContact O-N 3.46Å; L500-V504 VanDerWaalsContact O-N 3.09Å; L500-M592 HydrophobicContact CB-CE 3.86Å; L500-M592 HydrophobicContact CB-SD 4.21Å; L500-L612 HydrophobicContact CD2-CD1 4.28Å; L500-L615 HydrophobicContact CD1-CD2 3.32Å; L500-L615 HydrophobicContact CD2-CD2 4.23Å; L500-L615 HydrophobicContact CG-CD2 4.37Å
501Y81.4Confident76.7Confident66 Ų6652.2 Ų52.226%0.25928%0.275SS..Hα-helixtrans-56.8-49.8173.8168.4-95.2000111.1G497 Y498 L503 V504 V505 T591 M592G497-Y501 PolarHBondContact O-N 2.88Å; Y498-Y501 WeakPolarHBondContact O-CB 3.33Å; Y498-Y501 PolarHBondContact O-N 2.86Å; Y501-L503 VanDerWaalsContact C-N 3.31Å; Y501-L503 PolarHBondContact O-N 3.5Å; Y501-V504 PolarHBondContact O-N 2.87Å; Y501-V505 HydrophobicContact CD2-CB 4.15Å; Y501-V505 HydrophobicContact CD2-CG2 3.69Å; Y501-V505 HydrophobicContact CE1-CB 4.49Å; Y501-V505 HydrophobicContact CE2-CB 3.79Å; Y501-V505 HydrophobicContact CE2-CG1 3.93Å; Y501-V505 HydrophobicContact CE2-CG2 3.59Å; Y501-V505 HydrophobicContact CG-CG2 4.48Å; Y501-V505 WeakPolarHBondContact O-CB 3.17Å; Y501-V505 PolarHBondContact O-N 3.41Å; Y501-T591 WeakPolarHBondContact CD2-OG1 3.33Å; Y501-T591 VanDerWaalsContact CE2-OG1 3.27Å; Y501-T591 WeakPolarHBondContact CE2-OG1 3.36Å; Y501-M592 HydrophobicContact CD2-CG 4.32Å
502R79.4Confident75.5Confident34 Ų3453.6 Ų53.613%0.12828%0.283CS..Hα-helixtrans-60.1-40.6176.6-70.3-166.270.3-154.4-5.8112.1Y498 L500 V504 E506 T510 Y515Y498-R502 HydrophobicContact CE1-CG 4.15Å; Y498-R502 HydrophobicContact CE2-CG 4.21Å; Y498-R502 PolarHBondContact O-N 3.41Å; L500-R502 PolarHBondContact O-N 3.5Å; R502-V504 VanDerWaalsContact C-N 3.28Å; R502-V504 PolarHBondContact O-N 3.1Å; R502-E506 IonicContact CZ-OE2 3.75Å; R502-E506 VanDerWaalsContact CZ-OE2 3.23Å; R502-E506 IonicContact NE-OE1 3.23Å; R502-E506 PolarHBondContact NE-OE1 2.97Å; R502-E506 IonicContact NE-OE2 3.29Å; R502-E506 PolarHBondContact NE-OE2 2.81Å; R502-E506 IonicContact NH2-OE2 2.76Å; R502-E506 PolarHBondContact NH2-OE2 2.76Å; R502-E506 WeakPolarHBondContact O-CB 3.49Å; R502-E506 PolarHBondContact O-N 2.91Å; R502-E506 VanDerWaalsContact O-N 3.15Å; R502-E506 VanDerWaalsContact O-O 3.11Å; R502-T510 PolarHBondContact NH2-O 2.97Å; R502-T510 PolarHBondContact NH2-OG1 2.85Å; R502-Y515 VanDerWaalsContact NH1-CE2 3.31Å
503L76.1Confident74.4Confident80 Ų8057.7 Ų57.742%0.41931%0.309SS..Hα-helixtrans-62.2-34.3178.6-177.767.5000113.1N499 L500 Y501 F508N499-L503 WeakPolarHBondContact O-CB 3.22Å; N499-L503 PolarHBondContact O-N 3.47Å; L500-L503 WeakPolarHBondContact O-CB 3.48Å; L500-L503 PolarHBondContact O-N 3.42Å; Y501-L503 VanDerWaalsContact C-N 3.31Å; Y501-L503 PolarHBondContact O-N 3.5Å; L503-F508 HydrophobicContact CD1-CE1 4.44Å
504V73.6Confident73.8Confident35 Ų3559.6 Ų59.621%0.21233%0.33CS..Hα-helixtrans-91.8-43.6-176.1174.80000112.6L500 Y501 R502 M592 I596 L612L500-V504 WeakPolarHBondContact O-CG2 3.47Å; L500-V504 PolarHBondContact O-N 3.46Å; L500-V504 VanDerWaalsContact O-N 3.09Å; Y501-V504 PolarHBondContact O-N 2.87Å; R502-V504 VanDerWaalsContact C-N 3.28Å; R502-V504 PolarHBondContact O-N 3.1Å; V504-M592 HydrophobicContact CB-CG 4.36Å; V504-M592 HydrophobicContact CG2-CE 3.91Å; V504-I596 HydrophobicContact CG1-CD1 4.2Å; V504-I596 HydrophobicContact CG1-CG1 3.86Å; V504-L612 HydrophobicContact CG2-CD2 3.49Å; V504-L612 VanDerWaalsContact CG2-CD2 3.49Å
505V72.8Confident73.4Confident32 Ų3260.5 Ų60.519%0.19433%0.332CS..Hα-helixtrans-99.4-41.3-167.6-176.10000112.1Y501 V507 M592 Q595Y501-V505 HydrophobicContact CD2-CB 4.15Å; Y501-V505 HydrophobicContact CD2-CG2 3.69Å; Y501-V505 HydrophobicContact CE1-CB 4.49Å; Y501-V505 HydrophobicContact CE2-CB 3.79Å; Y501-V505 HydrophobicContact CE2-CG1 3.93Å; Y501-V505 HydrophobicContact CE2-CG2 3.59Å; Y501-V505 HydrophobicContact CG-CG2 4.48Å; Y501-V505 WeakPolarHBondContact O-CB 3.17Å; Y501-V505 PolarHBondContact O-N 3.41Å; V505-V507 PolarHBondContact O-N 2.79Å; V505-V507 VanDerWaalsContact O-N 3.14Å; V505-M592 HydrophobicContact CG2-CG 4.43Å; V505-Q595 HydrophobicContact CG1-CG 4.17Å; V505-Q595 HydrophobicContact CG2-CB 4.27Å; V505-Q595 HydrophobicContact CG2-CG 3.94Å
506E71.8Confident72.8Confident65 Ų6561.3 Ų61.330%0.30434%0.336SS..SBendtrans-79100.6174.1-71.5-176.1-162.300109.3R502 F508 T510R502-E506 IonicContact CZ-OE2 3.75Å; R502-E506 VanDerWaalsContact CZ-OE2 3.23Å; R502-E506 IonicContact NE-OE1 3.23Å; R502-E506 PolarHBondContact NE-OE1 2.97Å; R502-E506 IonicContact NE-OE2 3.29Å; R502-E506 PolarHBondContact NE-OE2 2.81Å; R502-E506 IonicContact NH2-OE2 2.76Å; R502-E506 PolarHBondContact NH2-OE2 2.76Å; R502-E506 WeakPolarHBondContact O-CB 3.49Å; R502-E506 PolarHBondContact O-N 2.91Å; R502-E506 VanDerWaalsContact O-N 3.15Å; R502-E506 VanDerWaalsContact O-O 3.11Å; E506-F508 PolarHBondContact O-N 2.87Å; E506-F508 VanDerWaalsContact O-N 3.09Å; E506-T510 PolarHBondContact OE2-OG1 2.94Å; E506-T510 VanDerWaalsContact OE2-OG1 3.06Å
507V59.7Low72.7Confident133 Ų13367.2 Ų67.281%0.80637%0.367SS*.  trans-53.5117.9171.8-174.80000108.7V505 G509V505-V507 PolarHBondContact O-N 2.79Å; V505-V507 VanDerWaalsContact O-N 3.14Å; V507-G509 PolarHBondContact O-N 2.66Å
508F49.9Very low72.9Confident164 Ų16473.2 Ų73.272%0.71939%0.391SS*.SBendtrans-25.1103.5-177.9-59.3-86.3000114.4L503 E506L503-F508 HydrophobicContact CD1-CE1 4.44Å; E506-F508 PolarHBondContact O-N 2.87Å; E506-F508 VanDerWaalsContact O-N 3.09Å
509G53.7Low73Confident71 Ų7170 Ų7073%0.73238%0.38SS*.  trans-172.8-25.817700000118.1V507 Y511V507-G509 PolarHBondContact O-N 2.66Å; G509-Y511 PolarHBondContact O-N 3.11Å
510T58.4Low73.3Confident85 Ų8571.2 Ų71.252%0.52139%0.389SS..  trans-91.389.7-176.745.40000111.1R502 E506 V512R502-T510 PolarHBondContact NH2-O 2.97Å; R502-T510 PolarHBondContact NH2-OG1 2.85Å; E506-T510 PolarHBondContact OE2-OG1 2.94Å; E506-T510 VanDerWaalsContact OE2-OG1 3.06Å; T510-V512 PolarHBondContact O-N 3.17Å; T510-V512 VanDerWaalsContact O-N 3.16Å
511Y60.9Low73.8Confident179 Ų17973.9 Ų73.970%0.70241%0.412SS*.  trans-68.9105.8166.4179.1-97.2000109G509 P513G509-Y511 PolarHBondContact O-N 3.11Å; Y511-P513 HydrophobicContact CE1-CB 4.05Å; Y511-P513 WeakPolarHBondContact O-CD 3.24Å
512V67.2Low74.3Confident48 Ų4876 Ų7629%0.29143%0.425SS..  trans-92112.5171.1-178.70000107.8T510 G514 Y515T510-V512 PolarHBondContact O-N 3.17Å; T510-V512 VanDerWaalsContact O-N 3.16Å; V512-G514 PolarHBondContact O-N 3.04Å; V512-Y515 HydrophobicContact CB-CD2 4.38Å; V512-Y515 WeakPolarHBondContact O-CB 3.41Å; V512-Y515 PolarHBondContact O-N 3.33Å
513P70.1Confident74.9Confident85 Ų8574.3 Ų74.355%0.55242%0.419SS*.THydrogen-bonded Turntrans-60.7135.9175.725.5-32.9000109.7Y511 Y515Y511-P513 HydrophobicContact CE1-CB 4.05Å; Y511-P513 WeakPolarHBondContact O-CD 3.24Å; P513-Y515 VanDerWaalsContact C-N 3.28Å; P513-Y515 PolarHBondContact O-N 2.96Å
514G75.7Confident75.8Confident43 Ų4373 Ų7344%0.44341%0.408SS..THydrogen-bonded Turntrans66.722.1-179.500000115.2V512 L516 L517 K518V512-G514 PolarHBondContact O-N 3.04Å; G514-L516 PolarHBondContact O-N 3.18Å; G514-L517 WeakPolarHBondContact O-CB 3.43Å; G514-L517 PolarHBondContact O-N 2.8Å; G514-K518 PolarHBondContact O-N 2.75Å
515Y81.1Confident76.8Confident23 Ų2372.8 Ų72.89%0.0941%0.413CS..Hα-helixtrans-48.9-49.5-178179.3-116.9000114Y441 Y498 N499 R502 V512 P513 L517 K518 L519Y441-Y515 HydrophobicContact CD1-CD1 4.31Å; Y498-Y515 HydrophobicContact CE1-CE2 4.42Å; N499-Y515 PolarHBondContact OD1-OH 2.83Å; R502-Y515 VanDerWaalsContact NH1-CE2 3.31Å; V512-Y515 HydrophobicContact CB-CD2 4.38Å; V512-Y515 WeakPolarHBondContact O-CB 3.41Å; V512-Y515 PolarHBondContact O-N 3.33Å; P513-Y515 VanDerWaalsContact C-N 3.28Å; P513-Y515 PolarHBondContact O-N 2.96Å; Y515-L517 VanDerWaalsContact C-N 3.33Å; Y515-L517 PolarHBondContact O-N 2.89Å; Y515-K518 PolarHBondContact O-N 2.71Å; Y515-L519 HydrophobicContact CD1-CD1 3.98Å; Y515-L519 HydrophobicContact CD2-CG 4.39Å; Y515-L519 HydrophobicContact CE1-CD1 3.42Å; Y515-L519 VanDerWaalsContact CE1-CD1 3.42Å; Y515-L519 HydrophobicContact CE1-CG 4.27Å; Y515-L519 HydrophobicContact CE2-CD1 4.02Å; Y515-L519 HydrophobicContact CE2-CD2 4.25Å; Y515-L519 HydrophobicContact CE2-CG 4.05Å; Y515-L519 VanDerWaalsContact CZ-CD1 3.45Å; Y515-L519 WeakPolarHBondContact O-CG 3.47Å; Y515-L519 PolarHBondContact O-N 3.46Å
516L78.8Confident77.8Confident41 Ų4174.8 Ų74.822%0.21542%0.42CS..Hα-helixtrans-64.6-36178.2-72.6173.2000113.1Y441 K444 V445 G514 L519 S520Y441-L516 HydrophobicContact CD1-CD1 3.59Å; Y441-L516 HydrophobicContact CD1-CD2 3.89Å; Y441-L516 HydrophobicContact CD1-CG 3.51Å; Y441-L516 HydrophobicContact CE1-CD1 3.7Å; Y441-L516 HydrophobicContact CE1-CG 3.76Å; K444-L516 HydrophobicContact CB-CD1 4.34Å; K444-L516 HydrophobicContact CB-CD2 4.21Å; K444-L516 HydrophobicContact CD-CD1 3.43Å; K444-L516 VanDerWaalsContact CD-CD1 3.43Å; V445-L516 HydrophobicContact CG2-CD2 4.14Å; G514-L516 PolarHBondContact O-N 3.18Å; L516-L519 PolarHBondContact O-N 2.77Å; L516-S520 VanDerWaalsContact O-CB 3.32Å; L516-S520 WeakPolarHBondContact O-CB 3.11Å; L516-S520 PolarHBondContact O-N 3.38Å; L516-S520 PolarHBondContact O-OG 3.05Å; L516-S520 VanDerWaalsContact O-OG 3.12Å
517L83.4Confident78.9Confident127 Ų12771.7 Ų71.767%0.66541%0.405SS*.Hα-helixtrans-64.6-44.9177.6-178.763000109.9G514 Y515 S520 A521G514-L517 WeakPolarHBondContact O-CB 3.43Å; G514-L517 PolarHBondContact O-N 2.8Å; Y515-L517 VanDerWaalsContact C-N 3.33Å; Y515-L517 PolarHBondContact O-N 2.89Å; L517-S520 WeakPolarHBondContact CA-OG 3.49Å; L517-S520 PolarHBondContact O-N 3.06Å; L517-S520 PolarHBondContact O-OG 2.01Å; L517-A521 WeakPolarHBondContact O-CB 3.46Å; L517-A521 PolarHBondContact O-N 3.19Å
518K88.4Confident80.6Confident131 Ų13169.5 Ų69.557%0.5739%0.388SS*.Hα-helixtrans-61.5-45.3175.1-66.9-179.7179.7-177.10112.1G514 Y515 S520 A521 M522G514-K518 PolarHBondContact O-N 2.75Å; Y515-K518 PolarHBondContact O-N 2.71Å; K518-S520 VanDerWaalsContact C-N 3.35Å; K518-S520 PolarHBondContact O-N 2.96Å; K518-A521 PolarHBondContact O-N 2.71Å; K518-M522 PolarHBondContact O-N 2.99Å
519L88.3Confident82.7Confident12 Ų1267.7 Ų67.76%0.06338%0.38CS..Hα-helixtrans-61.9-42.4174.9-72.8-176.4000111.9V445 W492 L495 Y515 L516 M522 G523V445-L519 HydrophobicContact CG2-CD1 3.76Å; W492-L519 HydrophobicContact CH2-CB 4.44Å; L495-L519 HydrophobicContact CB-CD2 4.46Å; L495-L519 HydrophobicContact CD1-CB 4.4Å; L495-L519 HydrophobicContact CD1-CD2 4.23Å; L495-L519 VanDerWaalsContact CD1-O 3.28Å; L495-L519 WeakPolarHBondContact CD1-O 3.33Å; L495-L519 HydrophobicContact CD2-CD2 3.73Å; L495-L519 HydrophobicContact CG-CD2 4.34Å; Y515-L519 HydrophobicContact CD1-CD1 3.98Å; Y515-L519 HydrophobicContact CD2-CG 4.39Å; Y515-L519 HydrophobicContact CE1-CD1 3.42Å; Y515-L519 VanDerWaalsContact CE1-CD1 3.42Å; Y515-L519 HydrophobicContact CE1-CG 4.27Å; Y515-L519 HydrophobicContact CE2-CD1 4.02Å; Y515-L519 HydrophobicContact CE2-CD2 4.25Å; Y515-L519 HydrophobicContact CE2-CG 4.05Å; Y515-L519 VanDerWaalsContact CZ-CD1 3.45Å; Y515-L519 WeakPolarHBondContact O-CG 3.47Å; Y515-L519 PolarHBondContact O-N 3.46Å; L516-L519 PolarHBondContact O-N 2.77Å; L519-M522 PolarHBondContact O-N 2.72Å; L519-G523 PolarHBondContact O-N 3.34Å
520S88.4Confident84.6Confident36 Ų3665.8 Ų65.825%0.25235%0.353SS..Hα-helixtrans-67.3-38.4178.364.60000112.4L516 L517 K518 M522 G523 W524L516-S520 VanDerWaalsContact O-CB 3.32Å; L516-S520 WeakPolarHBondContact O-CB 3.11Å; L516-S520 PolarHBondContact O-N 3.38Å; L516-S520 PolarHBondContact O-OG 3.05Å; L516-S520 VanDerWaalsContact O-OG 3.12Å; L517-S520 WeakPolarHBondContact CA-OG 3.49Å; L517-S520 PolarHBondContact O-N 3.06Å; L517-S520 PolarHBondContact O-OG 2.01Å; K518-S520 VanDerWaalsContact C-N 3.35Å; K518-S520 PolarHBondContact O-N 2.96Å; S520-M522 VanDerWaalsContact C-N 3.3Å; S520-M522 PolarHBondContact O-N 3.1Å; S520-G523 PolarHBondContact O-N 3.13Å; S520-W524 WeakPolarHBondContact O-CB 3.48Å; S520-W524 PolarHBondContact O-N 2.85Å
521A90.5Very high86.3Confident62 Ų6262.1 Ų62.151%0.51233%0.33SS..Iπ-helixtrans-63-38.9174.800000111.2L517 K518 G525L517-A521 WeakPolarHBondContact O-CB 3.46Å; L517-A521 PolarHBondContact O-N 3.19Å; K518-A521 PolarHBondContact O-N 2.71Å; A521-G525 WeakPolarHBondContact O-CA 3.4Å; A521-G525 PolarHBondContact O-N 3.26Å
522M91.4Very high87.9Confident109 Ų10956.8 Ų56.854%0.53732%0.317SS..Iπ-helixtrans-72.1-51.1175.3-169.962.972.800111.9L495 K518 L519 S520 W524 F526L495-M522 HydrophobicContact CD1-CB 4.4Å; L495-M522 HydrophobicContact CD2-CG 4.36Å; K518-M522 PolarHBondContact O-N 2.99Å; L519-M522 PolarHBondContact O-N 2.72Å; S520-M522 VanDerWaalsContact C-N 3.3Å; S520-M522 PolarHBondContact O-N 3.1Å; M522-W524 PolarHBondContact O-N 3.44Å; M522-F526 VanDerWaalsContact O-CB 3.22Å; M522-F526 WeakPolarHBondContact O-CB 3.14Å; M522-F526 PolarHBondContact O-N 2.92Å; M522-F526 HydrophobicContact SD-CB 4.22Å
523G92.2Very high89.1Confident0 Ų058.7 Ų58.70%033%0.325CS..Iπ-helixtrans-67.4-32.5-17300000114.4L519 S520 P527L519-G523 PolarHBondContact O-N 3.34Å; S520-G523 PolarHBondContact O-N 3.13Å; G523-P527 WeakPolarHBondContact O-CD 3.27Å; G523-P527 WeakPolarHBondContact O-CG 3.48Å
524W95.2Very high90.1Very high51 Ų5155.2 Ų55.219%0.19330%0.302CS..Iπ-helixtrans-102.6-41.4177.2-62.2102.1000112.6L451 L455 F484 T488 W492 S520 M522 P527 I528L451-W524 HydrophobicContact CD2-CH2 4.07Å; L451-W524 HydrophobicContact CD2-CZ2 3.97Å; L451-W524 HydrophobicContact CG-CH2 4.11Å; L451-W524 HydrophobicContact CG-CZ2 4.34Å; L455-W524 HydrophobicContact CD1-CH2 3.72Å; L455-W524 HydrophobicContact CD1-CZ3 3.68Å; F484-W524 AromaticContact CZ-CE3 3.87Å; F484-W524 HydrophobicContact CZ-CE3 3.87Å; F484-W524 HydrophobicContact CZ-CZ3 4.17Å; T488-W524 HydrophobicContact CG2-CD2 4Å; T488-W524 HydrophobicContact CG2-CE3 3.42Å; T488-W524 VanDerWaalsContact CG2-CE3 3.42Å; T488-W524 HydrophobicContact CG2-CH2 3.98Å; T488-W524 HydrophobicContact CG2-CZ2 4.49Å; T488-W524 HydrophobicContact CG2-CZ3 3.44Å; T488-W524 VanDerWaalsContact CG2-CZ3 3.44Å; W492-W524 AromaticContact CE2-CD1 3.98Å; W492-W524 AromaticContact CE2-NE1 3.56Å; W492-W524 AromaticContact CZ2-CD1 3.6Å; W492-W524 AromaticContact CZ2-NE1 3.3Å; W492-W524 VanDerWaalsContact CZ2-NE1 3.3Å; W492-W524 AromaticContact NE1-CD1 3.72Å; W492-W524 AromaticContact NE1-CD2 3.83Å; W492-W524 AromaticContact NE1-CE2 3.37Å; W492-W524 AromaticContact NE1-CZ2 3.79Å; W492-W524 AromaticContact NE1-NE1 3.32Å; S520-W524 WeakPolarHBondContact O-CB 3.48Å; S520-W524 PolarHBondContact O-N 2.85Å; M522-W524 PolarHBondContact O-N 3.44Å; W524-P527 WeakPolarHBondContact O-CD 3.16Å; W524-I528 WeakPolarHBondContact O-CD1 3.07Å; W524-I528 VanDerWaalsContact O-CG1 3.25Å; W524-I528 WeakPolarHBondContact O-CG1 3.27Å; W524-I528 PolarHBondContact O-N 3.31Å
525G94Very high90.8Very high31 Ų3154.5 Ų54.532%0.3229%0.292SS..Iπ-helixtrans-71.9-37.2-173.300000113.8A521 I528 F529A521-G525 WeakPolarHBondContact O-CA 3.4Å; A521-G525 PolarHBondContact O-N 3.26Å; G525-I528 PolarHBondContact O-N 2.96Å; G525-F529 WeakPolarHBondContact O-CB 3.04Å; G525-F529 PolarHBondContact O-N 3.49Å
526F93.6Very high91.2Very high75 Ų7560 Ų6033%0.32932%0.322SS..Hα-helixtrans-64.5-47177.6176.8-102.7000112.7M522 I528 F529 L530 L577M522-F526 VanDerWaalsContact O-CB 3.22Å; M522-F526 WeakPolarHBondContact O-CB 3.14Å; M522-F526 PolarHBondContact O-N 2.92Å; M522-F526 HydrophobicContact SD-CB 4.22Å; F526-I528 PolarHBondContact O-N 3.04Å; F526-F529 PolarHBondContact O-N 3.42Å; F526-L530 HydrophobicContact CD1-CD1 4.06Å; F526-L530 HydrophobicContact CE1-CD1 3.48Å; F526-L530 VanDerWaalsContact CE1-CD1 3.48Å; F526-L530 HydrophobicContact CE1-CG 4.46Å; F526-L530 HydrophobicContact CE2-CD1 4.11Å; F526-L530 HydrophobicContact CE2-CG 4.36Å; F526-L530 HydrophobicContact CZ-CD1 3.53Å; F526-L530 HydrophobicContact CZ-CG 4.25Å; F526-L530 PolarHBondContact O-N 2.88Å; F526-L530 VanDerWaalsContact O-N 3.1Å; F526-L577 HydrophobicContact CE1-CD1 4Å; F526-L577 HydrophobicContact CE1-CD2 3.6Å; F526-L577 HydrophobicContact CE1-CG 4.47Å; F526-L577 HydrophobicContact CZ-CD2 3.74Å
527P95.4Very high91.5Very high0 Ų063.6 Ų63.60%035%0.346CS..Hα-helixtrans-56.1-45.5169.5-28.134000114.2F484 L487 T488 S491 G523 W524 F529 L530 V531F484-P527 HydrophobicContact CD2-CB 3.95Å; F484-P527 HydrophobicContact CE2-CB 4.03Å; L487-P527 HydrophobicContact CB-CB 3.87Å; L487-P527 HydrophobicContact CB-CG 4.26Å; T488-P527 WeakPolarHBondContact OG1-CB 2.95Å; S491-P527 WeakPolarHBondContact OG-CG 3.43Å; G523-P527 WeakPolarHBondContact O-CD 3.27Å; G523-P527 WeakPolarHBondContact O-CG 3.48Å; W524-P527 WeakPolarHBondContact O-CD 3.16Å; P527-F529 VanDerWaalsContact C-N 3.3Å; P527-F529 PolarHBondContact O-N 2.81Å; P527-L530 PolarHBondContact O-N 3.31Å; P527-V531 WeakPolarHBondContact O-CG2 3.33Å; P527-V531 PolarHBondContact O-N 2.98Å
528I95.1Very high91.4Very high86 Ų8660.8 Ų60.844%0.44133%0.331SS..Hα-helixtrans-57.8-46.8178.2-70.4167.7000110.1F484 W524 G525 F526 L530 T532F484-I528 HydrophobicContact CD2-CG1 4.09Å; F484-I528 HydrophobicContact CE2-CD1 4.27Å; F484-I528 HydrophobicContact CE2-CG1 3.48Å; F484-I528 VanDerWaalsContact CE2-CG1 3.48Å; F484-I528 HydrophobicContact CZ-CG1 4.14Å; W524-I528 WeakPolarHBondContact O-CD1 3.07Å; W524-I528 VanDerWaalsContact O-CG1 3.25Å; W524-I528 WeakPolarHBondContact O-CG1 3.27Å; W524-I528 PolarHBondContact O-N 3.31Å; G525-I528 PolarHBondContact O-N 2.96Å; F526-I528 PolarHBondContact O-N 3.04Å; I528-L530 PolarHBondContact O-N 2.91Å; I528-T532 VanDerWaalsContact O-CB 3.24Å; I528-T532 WeakPolarHBondContact O-CB 3.39Å; I528-T532 PolarHBondContact O-N 3.29Å; I528-T532 PolarHBondContact O-OG1 3.45Å
529F95.3Very high91.1Very high126 Ų12657.5 Ų57.555%0.55332%0.322SS*.Hα-helixtrans-58.2-48.4178.9172-102.5000111.9G525 F526 P527 T532 L533G525-F529 WeakPolarHBondContact O-CB 3.04Å; G525-F529 PolarHBondContact O-N 3.49Å; F526-F529 PolarHBondContact O-N 3.42Å; P527-F529 VanDerWaalsContact C-N 3.3Å; P527-F529 PolarHBondContact O-N 2.81Å; F529-T532 PolarHBondContact O-N 3.36Å; F529-L533 HydrophobicContact CZ-CD1 4.44Å; F529-L533 WeakPolarHBondContact O-CB 3.08Å; F529-L533 PolarHBondContact O-N 3.42Å
530L93.9Very high90.7Very high31 Ų3160.6 Ų60.616%0.16234%0.339CS..Hα-helixtrans-66.3-44.6-178.4-70.5177.2000113L487 F526 P527 I528 T532 L533 V534 L577L487-L530 HydrophobicContact CD1-CB 4.12Å; L487-L530 HydrophobicContact CD1-CD1 4.24Å; F526-L530 HydrophobicContact CD1-CD1 4.06Å; F526-L530 HydrophobicContact CE1-CD1 3.48Å; F526-L530 VanDerWaalsContact CE1-CD1 3.48Å; F526-L530 HydrophobicContact CE1-CG 4.46Å; F526-L530 HydrophobicContact CE2-CD1 4.11Å; F526-L530 HydrophobicContact CE2-CG 4.36Å; F526-L530 HydrophobicContact CZ-CD1 3.53Å; F526-L530 HydrophobicContact CZ-CG 4.25Å; F526-L530 PolarHBondContact O-N 2.88Å; F526-L530 VanDerWaalsContact O-N 3.1Å; P527-L530 PolarHBondContact O-N 3.31Å; I528-L530 PolarHBondContact O-N 2.91Å; L530-T532 VanDerWaalsContact C-N 3.33Å; L530-T532 PolarHBondContact O-N 3.02Å; L530-L533 WeakPolarHBondContact O-CB 3.31Å; L530-L533 PolarHBondContact O-N 2.86Å; L530-V534 WeakPolarHBondContact O-CG2 3.37Å; L530-V534 PolarHBondContact O-N 2.84Å; L530-L577 HydrophobicContact CD1-CD1 3.39Å; L530-L577 HydrophobicContact CD1-CD2 4.27Å; L530-L577 HydrophobicContact CD1-CG 4.25Å
531V94.1Very high90.3Very high8 Ų859.9 Ų59.95%0.04833%0.332CS..Hα-helixtrans-64.9-40.8177.7175.90000110.9I480 F484 L487 P527 L533 V534 A535I480-V531 HydrophobicContact CG2-CG1 3.72Å; F484-V531 HydrophobicContact CB-CG2 4.08Å; L487-V531 HydrophobicContact CD1-CG2 4.09Å; P527-V531 WeakPolarHBondContact O-CG2 3.33Å; P527-V531 PolarHBondContact O-N 2.98Å; V531-L533 VanDerWaalsContact C-N 3.33Å; V531-L533 PolarHBondContact O-N 2.84Å; V531-V534 PolarHBondContact O-N 3.01Å; V531-A535 WeakPolarHBondContact O-CB 3.4Å; V531-A535 PolarHBondContact O-N 2.97Å
532T93.1Very high90Very high67 Ų6757 Ų5741%0.41131%0.308SS..Hα-helixtrans-62.3-42.6175.7-54.90000110.7I528 F529 L530 V534 A535 L536I528-T532 VanDerWaalsContact O-CB 3.24Å; I528-T532 WeakPolarHBondContact O-CB 3.39Å; I528-T532 PolarHBondContact O-N 3.29Å; I528-T532 PolarHBondContact O-OG1 3.45Å; F529-T532 PolarHBondContact O-N 3.36Å; L530-T532 VanDerWaalsContact C-N 3.33Å; L530-T532 PolarHBondContact O-N 3.02Å; T532-V534 PolarHBondContact O-N 3.4Å; T532-A535 PolarHBondContact O-N 2.85Å; T532-L536 HydrophobicContact CG2-CD1 3.89Å; T532-L536 HydrophobicContact CG2-CG 4.15Å; T532-L536 VanDerWaalsContact O-CB 3.29Å; T532-L536 WeakPolarHBondContact O-CB 3.47Å; T532-L536 WeakPolarHBondContact O-CG 3.49Å; T532-L536 PolarHBondContact O-N 2.79Å
533L93.2Very high89.5Confident88 Ų8852 Ų5246%0.46128%0.284SS..Hα-helixtrans-58.8-48.6176.1-169.892.3000111.3F529 L530 V531 A535 L536 V537F529-L533 HydrophobicContact CZ-CD1 4.44Å; F529-L533 WeakPolarHBondContact O-CB 3.08Å; F529-L533 PolarHBondContact O-N 3.42Å; L530-L533 WeakPolarHBondContact O-CB 3.31Å; L530-L533 PolarHBondContact O-N 2.86Å; V531-L533 VanDerWaalsContact C-N 3.33Å; V531-L533 PolarHBondContact O-N 2.84Å; L533-A535 PolarHBondContact O-N 2.87Å; L533-L536 PolarHBondContact O-N 2.87Å; L533-V537 VanDerWaalsContact O-CG2 3.28Å; L533-V537 WeakPolarHBondContact O-CG2 3.25Å; L533-V537 PolarHBondContact O-N 2.9Å
534V91Very high88.7Confident12 Ų1255.3 Ų55.37%0.07331%0.306CS..Hα-helixtrans-63.1-43.6179.9176.60000111.3L530 V531 T532 V537 D538 Y542 V569 T573L530-V534 WeakPolarHBondContact O-CG2 3.37Å; L530-V534 PolarHBondContact O-N 2.84Å; V531-V534 PolarHBondContact O-N 3.01Å; T532-V534 PolarHBondContact O-N 3.4Å; V534-V537 PolarHBondContact O-N 2.82Å; V534-D538 PolarHBondContact O-N 2.76Å; V534-D538 VanDerWaalsContact O-N 3.16Å; V534-Y542 WeakPolarHBondContact CB-OH 3.32Å; V534-Y542 HydrophobicContact CG1-CE2 3.87Å; V534-Y542 WeakPolarHBondContact CG1-OH 3.24Å; V534-V569 HydrophobicContact CG1-CG1 3.66Å; V534-V569 HydrophobicContact CG2-CG1 4.26Å; V534-T573 HydrophobicContact CG2-CG2 3.85Å
535A89.3Confident87.5Confident28 Ų2855.1 Ų55.123%0.23131%0.308CS..Hα-helixtrans-68.4-31.7178.400000113.4V531 T532 L533 V539 Y542V531-A535 WeakPolarHBondContact O-CB 3.4Å; V531-A535 PolarHBondContact O-N 2.97Å; T532-A535 PolarHBondContact O-N 2.85Å; L533-A535 PolarHBondContact O-N 2.87Å; A535-V539 PolarHBondContact O-N 2.87Å; A535-Y542 HydrophobicContact CB-CE2 4.13Å
536L89.6Confident85.9Confident140 Ų14058.9 Ų58.973%0.73332%0.319SS*.Hα-helixtrans-73.4-33.8175.2-77.2176.6000112.7T532 L533T532-L536 HydrophobicContact CG2-CD1 3.89Å; T532-L536 HydrophobicContact CG2-CG 4.15Å; T532-L536 VanDerWaalsContact O-CB 3.29Å; T532-L536 WeakPolarHBondContact O-CB 3.47Å; T532-L536 WeakPolarHBondContact O-CG 3.49Å; T532-L536 PolarHBondContact O-N 2.79Å; L533-L536 PolarHBondContact O-N 2.87Å
537V86.3Confident84Confident116 Ų11658.5 Ų58.570%0.70332%0.32SS*.Hα-helixtrans-68.4-51.2177.4169.30000110.1L533 V534L533-V537 VanDerWaalsContact O-CG2 3.28Å; L533-V537 WeakPolarHBondContact O-CG2 3.25Å; L533-V537 PolarHBondContact O-N 2.9Å; V534-V537 PolarHBondContact O-N 2.82Å
538D80.7Confident81.6Confident67 Ų6761.5 Ų61.536%0.35835%0.345SS..  trans-159.8120.1171.4-169.9-7.5000110V534 D540 N541V534-D538 PolarHBondContact O-N 2.76Å; V534-D538 VanDerWaalsContact O-N 3.16Å; D538-D540 VanDerWaalsContact C-N 3.26Å; D538-D540 WeakPolarHBondContact OD1-CA 2.98Å; D538-D540 VanDerWaalsContact OD1-CB 3.26Å; D538-D540 WeakPolarHBondContact OD1-CB 2.94Å; D538-D540 PolarHBondContact OD1-N 2.99Å; D538-N541 VanDerWaalsContact O-CB 3.31Å; D538-N541 WeakPolarHBondContact O-CB 3.47Å; D538-N541 PolarHBondContact O-N 2.91Å; D538-N541 PolarHBondContact O-ND2 3.05Å; D538-N541 VanDerWaalsContact O-ND2 3.09Å
539V82.6Confident79Confident63 Ų6358.6 Ų58.638%0.38233%0.332SS..G310 helixtrans-74-21.7176.776.20000111.7A535 N541 Y542A535-V539 PolarHBondContact O-N 2.87Å; V539-N541 PolarHBondContact O-N 3Å; V539-Y542 PolarHBondContact O-N 2.8Å; V539-Y542 VanDerWaalsContact O-N 3.12Å
540D79.3Confident76.5Confident77 Ų7757.9 Ų57.941%0.41233%0.33SS..G310 helixtrans-73.1-9177.6-65.8-37.5000112.8R476 D538 Y542R476-D540 IonicContact CZ-OD1 3.96Å; R476-D540 IonicContact NE-OD1 3.49Å; R476-D540 IonicContact NH2-OD1 3.32Å; R476-D540 PolarHBondContact NH2-OD1 3.27Å; D538-D540 VanDerWaalsContact C-N 3.26Å; D538-D540 WeakPolarHBondContact OD1-CA 2.98Å; D538-D540 VanDerWaalsContact OD1-CB 3.26Å; D538-D540 WeakPolarHBondContact OD1-CB 2.94Å; D538-D540 PolarHBondContact OD1-N 2.99Å; D540-Y542 PolarHBondContact O-N 3.08Å
541N81.3Confident73.6Confident20 Ų2066.6 Ų66.611%0.10736%0.36CS..G310 helixtrans-58.4-22.2164.8-70.8-26.3000112.3D538 V539 I564 R565D538-N541 VanDerWaalsContact O-CB 3.31Å; D538-N541 WeakPolarHBondContact O-CB 3.47Å; D538-N541 PolarHBondContact O-N 2.91Å; D538-N541 PolarHBondContact O-ND2 3.05Å; D538-N541 VanDerWaalsContact O-ND2 3.09Å; V539-N541 PolarHBondContact O-N 3Å; N541-I564 CarbonylContact O-C 3.08Å; N541-I564 WeakPolarHBondContact O-CA 3.3Å; N541-R565 PolarHBondContact O-N 3.21Å
542Y84.4Confident70.8Confident2 Ų269.7 Ų69.71%0.00838%0.379CS..EExtended strand (participates in β ladder)trans-103.6133.8178.1-61.6-77.6000111.1R476 A479 I480 H483 V534 A535 V539 D540 I564R476-Y542 WeakPolarHBondContact CG-O 3.26Å; A479-Y542 HydrophobicContact CB-CD1 3.95Å; A479-Y542 HydrophobicContact CB-CG 4.47Å; I480-Y542 HydrophobicContact CD1-CD2 4.22Å; I480-Y542 HydrophobicContact CG1-CD1 4.01Å; I480-Y542 HydrophobicContact CG1-CD2 3.73Å; I480-Y542 HydrophobicContact CG1-CE1 4.19Å; I480-Y542 HydrophobicContact CG1-CE2 3.91Å; I480-Y542 HydrophobicContact CG1-CG 3.78Å; H483-Y542 HydrophobicContact CB-CE1 4.21Å; H483-Y542 PolarHBondContact CE1-OH 2.96Å; H483-Y542 AromaticContact ND1-CE1 3.76Å; H483-Y542 AromaticContact ND1-CZ 3.78Å; H483-Y542 PolarHBondContact ND1-OH 3.48Å; V534-Y542 WeakPolarHBondContact CB-OH 3.32Å; V534-Y542 HydrophobicContact CG1-CE2 3.87Å; V534-Y542 WeakPolarHBondContact CG1-OH 3.24Å; A535-Y542 HydrophobicContact CB-CE2 4.13Å; V539-Y542 PolarHBondContact O-N 2.8Å; V539-Y542 VanDerWaalsContact O-N 3.12Å; D540-Y542 PolarHBondContact O-N 3.08Å; Y542-I564 HydrophobicContact CD1-CG1 3.97Å; Y542-I564 HydrophobicContact CE1-CD1 4.34Å; Y542-I564 HydrophobicContact CE1-CG1 3.64Å
543G80.9Confident68.3Low3 Ų373.1 Ų73.13%0.03140%0.403CS..EExtended strand (participates in β ladder)trans178.2-172.2177.200000114.6W563G543-W563 PolarHBondContact N-O 3.49Å; G543-W563 PolarHBondContact O-N 3.29Å
544P75.2Confident65.7Low71 Ų7178.3 Ų78.346%0.46143%0.425SS..EExtended strand (participates in β ladder)trans-72.2131.1177.529-32.6000110.4
545I68.9Low63.1Low47 Ų4779.9 Ų79.924%0.24144%0.443CS..EExtended strand (participates in β ladder)trans-109.6129.2168.7-52.4-173.6000107.6S560 M561 W563 I564I545-S560 WeakPolarHBondContact O-CA 3.45Å; I545-M561 PolarHBondContact N-O 2.97Å; I545-M561 PolarHBondContact O-N 3.28Å; I545-W563 HydrophobicContact CD1-CB 3.59Å; I545-W563 HydrophobicContact CD1-CG 4.03Å; I545-W563 HydrophobicContact CG1-CB 4.15Å; I545-I564 VanDerWaalsContact CD1-O 3.23Å; I545-I564 WeakPolarHBondContact CD1-O 3.46Å
546I61.3Low60.5Low109 Ų10981.7 Ų81.756%0.55945%0.451SS*.EExtended strand (participates in β ladder)trans-86.6112.9174.6-56.1171.1000107.3A548 Y558I546-A548 PolarHBondContact O-N 3.08Å; I546-Y558 HydrophobicContact CG2-CD1 4.01Å; I546-Y558 HydrophobicContact CG2-CG 4.43Å
547L54.1Low58Low67 Ų6781.4 Ų81.435%0.35145%0.449SS..  trans-81.4104.7165.6-66159.9000106.4V549 P559 M561L547-V549 HydrophobicContact CB-CG2 4.46Å; L547-V549 PolarHBondContact O-N 2.91Å; L547-P559 HydrophobicContact CB-CG 4.32Å; L547-P559 WeakPolarHBondContact CB-O 3.28Å; L547-P559 PolarHBondContact N-O 2.92Å; L547-M561 HydrophobicContact CD1-CE 3.98Å; L547-M561 HydrophobicContact CD1-CG 3.96Å; L547-M561 HydrophobicContact CD1-SD 3.84Å; L547-M561 HydrophobicContact CD2-CE 3.87Å; L547-M561 HydrophobicContact CG-CE 4.08Å; L547-M561 HydrophobicContact CG-CG 4.43Å
548A43.1Very low56Low63 Ų6381.1 Ų81.152%0.52144%0.436SS..  trans-64.697.7177.100000109.7K400 I546K400-A548 PolarHBondContact NZ-O 3.23Å; I546-A548 PolarHBondContact O-N 3.08Å
549V41.5Very low54.7Low26 Ų2679.3 Ų79.316%0.15843%0.428CS..  trans-12390.7172.1-172.60000107.2A397 K400 L547 P559A397-V549 HydrophobicContact CB-CG1 3.93Å; K400-V549 HydrophobicContact CB-CG1 4.43Å; K400-V549 HydrophobicContact CB-CG2 4.02Å; K400-V549 HydrophobicContact CD-CG2 3.81Å; L547-V549 HydrophobicContact CB-CG2 4.46Å; L547-V549 PolarHBondContact O-N 2.91Å; V549-P559 HydrophobicContact CB-CG 4.1Å; V549-P559 HydrophobicContact CG2-CG 3.98Å
550H43.1Very low54Low110 Ų11077.3 Ų77.351%0.50942%0.417SS..  trans65.5141168.9-8818.7000120.8A397A397-H550 HydrophobicContact CB-CB 4.46Å; A397-H550 WeakPolarHBondContact CB-CE1 3.35Å; A397-H550 WeakPolarHBondContact CB-ND1 3.29Å
551R32.9Very low54.1Low214 Ų21476 Ų7681%0.80841%0.409SS*.  trans-94.6107.3149-76-178.9173.289.5-1.3106.7
552T34.3Very low54.2Low73 Ų7375 Ų7545%0.44840%0.404SS..  trans-98.5149.2157.650.80000108.7E554T552-E554 PolarHBondContact O-N 3.35Å
553P41.9Very low54.4Low139 Ų13976.9 Ų76.990%0.90341%0.411SS*.THydrogen-bonded Turntrans-66.1-15.3-172.8-20.432000115.7
554E39Very low54.6Low197 Ų19776.9 Ų76.992%0.92141%0.41SS*.THydrogen-bonded Turntrans-109.12.8-167.6-64-174.8175.400115.1T552T552-E554 PolarHBondContact O-N 3.35Å
555G34.5Very low54.6Low45 Ų4581.1 Ų81.146%0.46442%0.417SS..  trans158.4113.8173.800000111.9I557G555-I557 PolarHBondContact O-N 3.28Å
556V35.9Very low54.9Low67 Ų6781.8 Ų81.841%0.40642%0.421SS..  trans-85.899.3-175.9-167.80000109.3Y558V556-Y558 HydrophobicContact CB-CE2 4.11Å; V556-Y558 HydrophobicContact CG1-CD1 4.14Å; V556-Y558 HydrophobicContact CG1-CD2 3.68Å; V556-Y558 HydrophobicContact CG1-CE1 3.75Å; V556-Y558 HydrophobicContact CG1-CE2 3.24Å; V556-Y558 HydrophobicContact CG1-CG 4.11Å
557I36.9Very low55.5Low134 Ų13481 Ų8169%0.68743%0.426SS*.  trans-93.999.2166.6-53.9174.6000106.5G555 P559G555-I557 PolarHBondContact O-N 3.28Å; I557-P559 WeakPolarHBondContact O-CD 3.37Å
558Y44Very low56.6Low110 Ų11083.1 Ų83.143%0.43144%0.436SS..  trans-74.6114165.9-61.8-79.1000107.6I546 V556 S560I546-Y558 HydrophobicContact CG2-CD1 4.01Å; I546-Y558 HydrophobicContact CG2-CG 4.43Å; V556-Y558 HydrophobicContact CB-CE2 4.11Å; V556-Y558 HydrophobicContact CG1-CD1 4.14Å; V556-Y558 HydrophobicContact CG1-CD2 3.68Å; V556-Y558 HydrophobicContact CG1-CE1 3.75Å; V556-Y558 HydrophobicContact CG1-CE2 3.24Å; V556-Y558 HydrophobicContact CG1-CG 4.11Å; Y558-S560 VanDerWaalsContact C-N 3.26Å; Y558-S560 PolarHBondContact O-N 3.39Å
559P53.4Low58.4Low29 Ų2981.4 Ų81.419%0.18842%0.42CS..  trans-69.293.3167.227.4-30000107.6L547 V549 I557L547-P559 HydrophobicContact CB-CG 4.32Å; L547-P559 WeakPolarHBondContact CB-O 3.28Å; L547-P559 PolarHBondContact N-O 2.92Å; V549-P559 HydrophobicContact CB-CG 4.1Å; V549-P559 HydrophobicContact CG2-CG 3.98Å; I557-P559 WeakPolarHBondContact O-CD 3.37Å
560S67.9Low60.4Low20 Ų2081.4 Ų81.414%0.1442%0.42CS..EExtended strand (participates in β ladder)trans-80.1133.1166.453.10000108.6A467 I545 Y558A467-S560 WeakPolarHBondContact CB-O 3.49Å; A467-S560 VanDerWaalsContact CB-OG 3.28Å; A467-S560 WeakPolarHBondContact CB-OG 3.26Å; I545-S560 WeakPolarHBondContact O-CA 3.45Å; Y558-S560 VanDerWaalsContact C-N 3.26Å; Y558-S560 PolarHBondContact O-N 3.39Å
561M80.9Confident62.2Low49 Ų4983.4 Ų83.424%0.24143%0.425CS..EExtended strand (participates in β ladder)trans-119.4149.8169.566.6172.8175.600110.1I545 L547 W563I545-M561 PolarHBondContact N-O 2.97Å; I545-M561 PolarHBondContact O-N 3.28Å; L547-M561 HydrophobicContact CD1-CE 3.98Å; L547-M561 HydrophobicContact CD1-CG 3.96Å; L547-M561 HydrophobicContact CD1-SD 3.84Å; L547-M561 HydrophobicContact CD2-CE 3.87Å; L547-M561 HydrophobicContact CG-CE 4.08Å; L547-M561 HydrophobicContact CG-CG 4.43Å; M561-W563 HydrophobicContact CE-CB 4.46Å
562C85.2Confident64.8Low1 Ų179 Ų791%0.00742%0.416CS..EExtended strand (participates in β ladder)trans-88111.2176.3-65.70000110.7A467 C475 A479A467-C562 VanDerWaalsContact CB-SG 3.6Å; C475-C562 WeakPolarHBondContact CA-SG 3.49Å; C475-C562 HydrophobicContact CB-CB 4.12Å; C475-C562 WeakPolarHBondContact CB-SG 3.45Å; C475-C562 WeakPolarHBondContact O-CB 3.33Å; C475-C562 VanDerWaalsContact SG-CA 3.52Å; C475-C562 WeakPolarHBondContact SG-CB 3.18Å; C475-C562 CovalentContact SG-SG 2.03Å; C475-C562 PolarHBondContact SG-SG 3.19Å; A479-C562 HydrophobicContact CB-CB 4.15Å
563W88.6Confident67.4Low40 Ų4076.4 Ų76.415%0.15240%0.4CS..EExtended strand (participates in β ladder)trans-150.1-174.7-175.5-170.8-112.1000112.7L482 H483 L486 G543 I545 M561 R565 N574L482-W563 HydrophobicContact CB-CE3 4.33Å; L482-W563 HydrophobicContact CB-CZ3 4.05Å; L482-W563 HydrophobicContact CD2-CE3 3.6Å; L482-W563 HydrophobicContact CD2-CH2 3.86Å; L482-W563 HydrophobicContact CD2-CZ3 3.08Å; L482-W563 HydrophobicContact CG-CE3 4.35Å; L482-W563 HydrophobicContact CG-CZ3 4.06Å; H483-W563 HydrophobicContact CB-CH2 4.5Å; H483-W563 HydrophobicContact CB-CZ3 4.22Å; L486-W563 HydrophobicContact CD2-CH2 3.77Å; L486-W563 HydrophobicContact CD2-CZ2 4.33Å; G543-W563 PolarHBondContact N-O 3.49Å; G543-W563 PolarHBondContact O-N 3.29Å; I545-W563 HydrophobicContact CD1-CB 3.59Å; I545-W563 HydrophobicContact CD1-CG 4.03Å; I545-W563 HydrophobicContact CG1-CB 4.15Å; M561-W563 HydrophobicContact CE-CB 4.46Å; W563-R565 PolarHBondContact O-N 2.05Å; W563-N574 WeakPolarHBondContact CZ2-ND2 3.42Å
564I85.1Confident69.6Low4 Ų470.6 Ų70.62%0.02136%0.361CS..EExtended strand (participates in β ladder)trans-76.3118.5178.2-55.9166.9000109.3N541 Y542 I545 D566 V569N541-I564 CarbonylContact O-C 3.08Å; N541-I564 WeakPolarHBondContact O-CA 3.3Å; Y542-I564 HydrophobicContact CD1-CG1 3.97Å; Y542-I564 HydrophobicContact CE1-CD1 4.34Å; Y542-I564 HydrophobicContact CE1-CG1 3.64Å; I545-I564 VanDerWaalsContact CD1-O 3.23Å; I545-I564 WeakPolarHBondContact CD1-O 3.46Å; I564-D566 WeakPolarHBondContact CG2-O 3.33Å; I564-V569 HydrophobicContact CG2-CB 4.17Å; I564-V569 HydrophobicContact CG2-CG1 4.09Å
565R74.2Confident71.8Confident160 Ų16063 Ų6360%0.60433%0.327SS*.SBendtrans-70.8-39.4-179.2-64.8178.869.3-177.91.6112.7N541 W563 S567N541-R565 PolarHBondContact O-N 3.21Å; W563-R565 PolarHBondContact O-N 2.05Å; R565-S567 PolarHBondContact O-N 2.91Å
566D75.4Confident74.5Confident60 Ų6062.6 Ų62.632%0.32132%0.323SS..  trans-78113.5178.6-171.2-17.4000110.3I564 L568 V569 S570I564-D566 WeakPolarHBondContact CG2-O 3.33Å; D566-L568 VanDerWaalsContact C-N 3.28Å; D566-L568 PolarHBondContact O-N 2.87Å; D566-L568 WeakPolarHBondContact OD1-CB 3.44Å; D566-L568 PolarHBondContact OD1-N 2.79Å; D566-V569 HydrophobicContact CB-CB 4.04Å; D566-V569 HydrophobicContact CB-CG2 3.85Å; D566-V569 PolarHBondContact O-N 3.48Å; D566-V569 WeakPolarHBondContact OD2-CG2 3.2Å; D566-S570 WeakPolarHBondContact O-CB 3.42Å; D566-S570 PolarHBondContact O-N 3.08Å
567S74Confident77Confident94 Ų9460.6 Ų60.666%0.65731%0.309SS*.Hα-helixtrans-63.1-33178.859.50000112.5R565 Y571R565-S567 PolarHBondContact O-N 2.91Å; S567-Y571 VanDerWaalsContact O-CB 3.26Å; S567-Y571 WeakPolarHBondContact O-CB 3.47Å; S567-Y571 PolarHBondContact O-N 2.79Å
568L76.2Confident79.5Confident110 Ų11054.8 Ų54.858%0.57628%0.279SS*.Hα-helixtrans-70.1-45.5178-69.2173.2000111.3D566 S570 Y571 I572D566-L568 VanDerWaalsContact C-N 3.28Å; D566-L568 PolarHBondContact O-N 2.87Å; D566-L568 WeakPolarHBondContact OD1-CB 3.44Å; D566-L568 PolarHBondContact OD1-N 2.79Å; L568-S570 VanDerWaalsContact C-N 3.34Å; L568-Y571 PolarHBondContact O-N 3.15Å; L568-I572 WeakPolarHBondContact O-CB 3.49Å; L568-I572 WeakPolarHBondContact O-CG1 3.37Å; L568-I572 PolarHBondContact O-N 3.29Å
569V81.6Confident81.6Confident28 Ų2851.2 Ų51.217%0.1727%0.27CS..Hα-helixtrans-59.4-49.5175.9174.70000109.4V534 I564 D566 Y571 I572 T573V534-V569 HydrophobicContact CG1-CG1 3.66Å; V534-V569 HydrophobicContact CG2-CG1 4.26Å; I564-V569 HydrophobicContact CG2-CB 4.17Å; I564-V569 HydrophobicContact CG2-CG1 4.09Å; D566-V569 HydrophobicContact CB-CB 4.04Å; D566-V569 HydrophobicContact CB-CG2 3.85Å; D566-V569 PolarHBondContact O-N 3.48Å; D566-V569 WeakPolarHBondContact OD2-CG2 3.2Å; V569-Y571 VanDerWaalsContact C-N 3.33Å; V569-Y571 PolarHBondContact O-N 2.92Å; V569-I572 PolarHBondContact O-N 3.48Å; V569-T573 HydrophobicContact CG1-CG2 4.25Å; V569-T573 WeakPolarHBondContact O-CG2 3.04Å; V569-T573 PolarHBondContact O-N 2.01Å; V569-T573 PolarHBondContact O-OG1 3.36Å
570S82.8Confident83.4Confident25 Ų2555.1 Ų55.118%0.17529%0.289CS..Hα-helixtrans-57.7-43.4177.1-177.20000112.3D566 L568 N574D566-S570 WeakPolarHBondContact O-CB 3.42Å; D566-S570 PolarHBondContact O-N 3.08Å; L568-S570 VanDerWaalsContact C-N 3.34Å; S570-N574 WeakPolarHBondContact O-CB 3.39Å; S570-N574 PolarHBondContact O-N 2.89Å; S570-N574 PolarHBondContact O-ND2 3.44Å; S570-N574 PolarHBondContact OG-ND2 3.16Å
571Y82.4Confident84.4Confident153 Ų15355.3 Ų55.360%0.629%0.289SS*.Iπ-helixtrans-65.2-47.8178.9-171.7-89.7000111.8S567 L568 V569 L575 G576S567-Y571 VanDerWaalsContact O-CB 3.26Å; S567-Y571 WeakPolarHBondContact O-CB 3.47Å; S567-Y571 PolarHBondContact O-N 2.79Å; L568-Y571 PolarHBondContact O-N 3.15Å; V569-Y571 VanDerWaalsContact C-N 3.33Å; V569-Y571 PolarHBondContact O-N 2.92Å; Y571-L575 HydrophobicContact CD2-CB 4.36Å; Y571-L575 HydrophobicContact CD2-CD2 3.65Å; Y571-L575 HydrophobicContact CE1-CD2 4.16Å; Y571-L575 HydrophobicContact CE2-CD2 3.11Å; Y571-L575 HydrophobicContact CE2-CG 4.43Å; Y571-L575 HydrophobicContact CG-CD2 4.37Å; Y571-L575 VanDerWaalsContact CZ-CD2 3.4Å; Y571-L575 WeakPolarHBondContact O-CA 3.48Å; Y571-L575 WeakPolarHBondContact O-CB 3.34Å; Y571-L575 PolarHBondContact O-N 2.79Å; Y571-G576 PolarHBondContact O-N 2.85Å; Y571-G576 VanDerWaalsContact O-N 3.1Å
572I87.2Confident84.7Confident120 Ų12054.6 Ų54.662%0.61529%0.285SS*.Iπ-helixtrans-66.6-49-178.1-67.3171.6000111L568 V569 G576L568-I572 WeakPolarHBondContact O-CB 3.49Å; L568-I572 WeakPolarHBondContact O-CG1 3.37Å; L568-I572 PolarHBondContact O-N 3.29Å; V569-I572 PolarHBondContact O-N 3.48Å; I572-G576 WeakPolarHBondContact O-CA 3.43Å; I572-G576 PolarHBondContact O-N 2.73Å
573T88.1Confident84.8Confident20 Ų2060.1 Ų60.112%0.12331%0.313CS..Iπ-helixtrans-75-45.7-174.263.70000111.8H483 V534 V569 L577H483-T573 PolarHBondContact NE2-OG1 2.81Å; V534-T573 HydrophobicContact CG2-CG2 3.85Å; V569-T573 HydrophobicContact CG1-CG2 4.25Å; V569-T573 WeakPolarHBondContact O-CG2 3.04Å; V569-T573 PolarHBondContact O-N 2.01Å; V569-T573 PolarHBondContact O-OG1 3.36Å; T573-L577 VanDerWaalsContact O-CB 3.28Å; T573-L577 WeakPolarHBondContact O-CB 3.28Å; T573-L577 WeakPolarHBondContact O-CD1 3.36Å; T573-L577 WeakPolarHBondContact O-CG 3.37Å
574N88.6Confident84.8Confident17 Ų1762.6 Ų62.69%0.09133%0.326CS..Iπ-helixtrans-85.2-58.4-175.2-57.4-51000111.3H483 W563 S570 G576 L577 F578H483-N574 PolarHBondContact CD2-OD1 3.4Å; H483-N574 PolarHBondContact NE2-OD1 2.79Å; W563-N574 WeakPolarHBondContact CZ2-ND2 3.42Å; S570-N574 WeakPolarHBondContact O-CB 3.39Å; S570-N574 PolarHBondContact O-N 2.89Å; S570-N574 PolarHBondContact O-ND2 3.44Å; S570-N574 PolarHBondContact OG-ND2 3.16Å; N574-G576 PolarHBondContact O-N 3.32Å; N574-L577 PolarHBondContact O-N 3.03Å; N574-F578 WeakPolarHBondContact O-CB 3.46Å; N574-F578 PolarHBondContact O-N 3.37Å
575L85.9Confident84.9Confident38 Ų3862.9 Ų62.920%0.19933%0.327CS..Iπ-helixtrans-69.1-36-175.9-167.573.2000111.5Y571 F578 S579 I626 F627Y571-L575 HydrophobicContact CD2-CB 4.36Å; Y571-L575 HydrophobicContact CD2-CD2 3.65Å; Y571-L575 HydrophobicContact CE1-CD2 4.16Å; Y571-L575 HydrophobicContact CE2-CD2 3.11Å; Y571-L575 HydrophobicContact CE2-CG 4.43Å; Y571-L575 HydrophobicContact CG-CD2 4.37Å; Y571-L575 VanDerWaalsContact CZ-CD2 3.4Å; Y571-L575 WeakPolarHBondContact O-CA 3.48Å; Y571-L575 WeakPolarHBondContact O-CB 3.34Å; Y571-L575 PolarHBondContact O-N 2.79Å; L575-F578 HydrophobicContact CD1-CD1 4.1Å; L575-F578 PolarHBondContact O-N 3.38Å; L575-S579 WeakPolarHBondContact O-CB 3.41Å; L575-S579 PolarHBondContact O-N 2.77Å; L575-S579 PolarHBondContact O-OG 2.72Å; L575-I626 HydrophobicContact CD1-CG2 4.3Å; L575-F627 HydrophobicContact CD1-CE1 3.92Å; L575-F627 HydrophobicContact CD1-CZ 4.41Å; L575-F627 HydrophobicContact CG-CE1 4.32Å
576G89.9Confident85.5Confident36 Ų3658.6 Ų58.637%0.37132%0.315SS..Hα-helixtrans-60.1-50.7174.600000112.7Y571 I572 N574 S579 L580Y571-G576 PolarHBondContact O-N 2.85Å; Y571-G576 VanDerWaalsContact O-N 3.1Å; I572-G576 WeakPolarHBondContact O-CA 3.43Å; I572-G576 PolarHBondContact O-N 2.73Å; N574-G576 PolarHBondContact O-N 3.32Å; G576-S579 PolarHBondContact O-N 2.83Å; G576-L580 PolarHBondContact O-N 2.86Å; G576-L580 VanDerWaalsContact O-N 3.14Å
577L89.2Confident86.1Confident24 Ų2458.5 Ų58.513%0.12632%0.322CS..Hα-helixtrans-66.1-41.1176.2-74.9-175.7000112.9L487 F526 L530 T573 N574 S579 L580 V581L487-L577 HydrophobicContact CD1-CD1 4.01Å; L487-L577 HydrophobicContact CD2-CD1 3.57Å; L487-L577 HydrophobicContact CG-CD1 4.27Å; F526-L577 HydrophobicContact CE1-CD1 4Å; F526-L577 HydrophobicContact CE1-CD2 3.6Å; F526-L577 HydrophobicContact CE1-CG 4.47Å; F526-L577 HydrophobicContact CZ-CD2 3.74Å; L530-L577 HydrophobicContact CD1-CD1 3.39Å; L530-L577 HydrophobicContact CD1-CD2 4.27Å; L530-L577 HydrophobicContact CD1-CG 4.25Å; T573-L577 VanDerWaalsContact O-CB 3.28Å; T573-L577 WeakPolarHBondContact O-CB 3.28Å; T573-L577 WeakPolarHBondContact O-CD1 3.36Å; T573-L577 WeakPolarHBondContact O-CG 3.37Å; N574-L577 PolarHBondContact O-N 3.03Å; L577-S579 VanDerWaalsContact C-N 3.32Å; L577-S579 PolarHBondContact O-N 2.9Å; L577-L580 PolarHBondContact O-N 2.77Å; L577-V581 WeakPolarHBondContact O-CG2 3.45Å; L577-V581 PolarHBondContact O-N 3.39Å
578F88.6Confident86.6Confident13 Ų1354.6 Ų54.66%0.05729%0.293CS..Hα-helixtrans-57.7-46.8176.1172.6-112000111.3L490 N574 L575 L580 V581 F582 W623 I626 F627L490-F578 HydrophobicContact CD1-CB 4.21Å; L490-F578 HydrophobicContact CD2-CD2 3.89Å; N574-F578 WeakPolarHBondContact O-CB 3.46Å; N574-F578 PolarHBondContact O-N 3.37Å; L575-F578 HydrophobicContact CD1-CD1 4.1Å; L575-F578 PolarHBondContact O-N 3.38Å; F578-L580 VanDerWaalsContact C-N 3.32Å; F578-L580 PolarHBondContact O-N 2.87Å; F578-V581 PolarHBondContact O-N 3.49Å; F578-F582 HydrophobicContact CE2-CB 4.22Å; F578-F582 HydrophobicContact CZ-CB 4.1Å; F578-F582 HydrophobicContact CZ-CG 4.44Å; F578-F582 VanDerWaalsContact O-CB 3.26Å; F578-F582 WeakPolarHBondContact O-CB 3.48Å; F578-F582 PolarHBondContact O-N 2.82Å; F578-W623 HydrophobicContact CD2-CB 4.11Å; F578-W623 HydrophobicContact CE1-CB 4.38Å; F578-W623 HydrophobicContact CE2-CB 3.11Å; F578-W623 AromaticContact CE2-CG 3.98Å; F578-W623 HydrophobicContact CE2-CG 3.98Å; F578-W623 HydrophobicContact CZ-CB 3.29Å; F578-W623 VanDerWaalsContact CZ-O 3.3Å; F578-W623 WeakPolarHBondContact CZ-O 3.28Å; F578-I626 HydrophobicContact CD1-CG2 3.99Å; F578-I626 HydrophobicContact CE1-CG2 3.56Å; F578-I626 HydrophobicContact CZ-CG2 4.43Å; F578-F627 AromaticContact CD1-CE2 3.84Å; F578-F627 HydrophobicContact CD1-CE2 3.84Å; F578-F627 AromaticContact CD1-CZ 3.7Å; F578-F627 HydrophobicContact CD1-CZ 3.7Å; F578-F627 AromaticContact CE1-CD2 3.88Å; F578-F627 HydrophobicContact CE1-CD2 3.88Å; F578-F627 AromaticContact CE1-CE2 3.2Å; F578-F627 HydrophobicContact CE1-CE2 3.2Å; F578-F627 AromaticContact CE1-CZ 3.57Å; F578-F627 HydrophobicContact CE1-CZ 3.57Å; F578-F627 HydrophobicContact CZ-CE2 4Å
579S88.8Confident86.9Confident34 Ų3450.2 Ų50.224%0.23827%0.271CS..Hα-helixtrans-58.4-44.2177.1-56.70000111.9L575 G576 L577 F582 L583 F627L575-S579 WeakPolarHBondContact O-CB 3.41Å; L575-S579 PolarHBondContact O-N 2.77Å; L575-S579 PolarHBondContact O-OG 2.72Å; G576-S579 PolarHBondContact O-N 2.83Å; L577-S579 VanDerWaalsContact C-N 3.32Å; L577-S579 PolarHBondContact O-N 2.9Å; S579-F582 PolarHBondContact O-N 2.82Å; S579-L583 WeakPolarHBondContact O-CB 3.09Å; S579-L583 VanDerWaalsContact O-CG 3.3Å; S579-L583 WeakPolarHBondContact O-CG 3.06Å; S579-L583 PolarHBondContact O-N 2.97Å; S579-F627 VanDerWaalsContact OG-CZ 3.27Å; S579-F627 WeakPolarHBondContact OG-CZ 3.06Å
580L90.4Very high87.1Confident112 Ų11251.6 Ų51.659%0.58629%0.285SS*.Hα-helixtrans-62.2-49.1178.1-177.568.9000111.7G576 L577 F578 F582 F584G576-L580 PolarHBondContact O-N 2.86Å; G576-L580 VanDerWaalsContact O-N 3.14Å; L577-L580 PolarHBondContact O-N 2.77Å; F578-L580 VanDerWaalsContact C-N 3.32Å; F578-L580 PolarHBondContact O-N 2.87Å; L580-F582 VanDerWaalsContact C-N 3.35Å; L580-F584 VanDerWaalsContact O-CB 3.3Å; L580-F584 WeakPolarHBondContact O-CB 3.21Å; L580-F584 PolarHBondContact O-N 2.91Å
581V88.6Confident87.2Confident23 Ų2353.1 Ų53.114%0.13929%0.293CS..Hα-helixtrans-64.2-41.1179.1171.50000111L577 F578 F584 N585L577-V581 WeakPolarHBondContact O-CG2 3.45Å; L577-V581 PolarHBondContact O-N 3.39Å; F578-V581 PolarHBondContact O-N 3.49Å; V581-F584 PolarHBondContact O-N 3.38Å; V581-N585 WeakPolarHBondContact O-CB 3.43Å; V581-N585 PolarHBondContact O-N 2.98Å
582F87.2Confident87.1Confident34 Ų3446 Ų4615%0.14927%0.266CS..Hα-helixtrans-61.6-51.2177.8174-107.5000111.8F578 S579 L580 F584 N585 M586 L621 A624 F627F578-F582 HydrophobicContact CE2-CB 4.22Å; F578-F582 HydrophobicContact CZ-CB 4.1Å; F578-F582 HydrophobicContact CZ-CG 4.44Å; F578-F582 VanDerWaalsContact O-CB 3.26Å; F578-F582 WeakPolarHBondContact O-CB 3.48Å; F578-F582 PolarHBondContact O-N 2.82Å; S579-F582 PolarHBondContact O-N 2.82Å; L580-F582 VanDerWaalsContact C-N 3.35Å; F582-F584 VanDerWaalsContact C-N 3.3Å; F582-F584 PolarHBondContact O-N 2.82Å; F582-N585 PolarHBondContact O-N 3.22Å; F582-M586 HydrophobicContact CD1-CG 4.44Å; F582-M586 HydrophobicContact CD2-CG 4.04Å; F582-M586 HydrophobicContact CE1-CG 3.99Å; F582-M586 HydrophobicContact CE2-CG 3.51Å; F582-M586 HydrophobicContact CE2-SD 3.88Å; F582-M586 HydrophobicContact CG-CG 4.47Å; F582-M586 HydrophobicContact CZ-CG 3.5Å; F582-M586 HydrophobicContact CZ-SD 4.03Å; F582-M586 WeakPolarHBondContact O-CB 3.22Å; F582-M586 VanDerWaalsContact O-CG 3.31Å; F582-M586 WeakPolarHBondContact O-CG 3.42Å; F582-M586 PolarHBondContact O-N 3.27Å; F582-L621 HydrophobicContact CE2-CD2 3.93Å; F582-L621 HydrophobicContact CE2-CG 4.46Å; F582-L621 HydrophobicContact CZ-CD2 4.29Å; F582-A624 HydrophobicContact CD2-CB 3.93Å; F582-A624 HydrophobicContact CE1-CB 4.35Å; F582-A624 HydrophobicContact CE2-CB 3.37Å; F582-A624 HydrophobicContact CZ-CB 3.6Å; F582-F627 HydrophobicContact CD1-CE2 4.07Å; F582-F627 HydrophobicContact CG-CE2 4.41Å
583L88.9Confident86.7Confident117 Ų11742.9 Ų42.961%0.61325%0.252SS*.Hα-helixtrans-59.9-42.6177.7-70.9173.8000111.5S579 M586 A587S579-L583 WeakPolarHBondContact O-CB 3.09Å; S579-L583 VanDerWaalsContact O-CG 3.3Å; S579-L583 WeakPolarHBondContact O-CG 3.06Å; S579-L583 PolarHBondContact O-N 2.97Å; L583-M586 PolarHBondContact O-N 2.82Å; L583-A587 WeakPolarHBondContact O-CB 3.06Å; L583-A587 PolarHBondContact O-N 2.85Å
584F88.8Confident86.5Confident93 Ų9345 Ų4541%0.40827%0.265SS..Hα-helixtrans-61.2-48.7176.4-179.2-114.4000111.8Y498 L580 V581 F582 M586 A587 M588Y498-F584 HydrophobicContact CD2-CZ 4.08Å; Y498-F584 HydrophobicContact CG-CZ 4.45Å; L580-F584 VanDerWaalsContact O-CB 3.3Å; L580-F584 WeakPolarHBondContact O-CB 3.21Å; L580-F584 PolarHBondContact O-N 2.91Å; V581-F584 PolarHBondContact O-N 3.38Å; F582-F584 VanDerWaalsContact C-N 3.3Å; F582-F584 PolarHBondContact O-N 2.82Å; F584-M586 PolarHBondContact O-N 2.85Å; F584-A587 PolarHBondContact O-N 3.12Å; F584-M588 HydrophobicContact CD1-CE 3.22Å; F584-M588 HydrophobicContact CD1-SD 3.93Å; F584-M588 HydrophobicContact CD2-SD 4.47Å; F584-M588 HydrophobicContact CE1-CE 3.17Å; F584-M588 HydrophobicContact CE1-SD 3.34Å; F584-M588 WeakPolarHBondContact CE1-SD 3.43Å; F584-M588 HydrophobicContact CE2-CE 4.47Å; F584-M588 HydrophobicContact CE2-CG 4.39Å; F584-M588 HydrophobicContact CE2-SD 3.95Å; F584-M588 HydrophobicContact CG-CE 3.95Å; F584-M588 HydrophobicContact CG-SD 4.46Å; F584-M588 HydrophobicContact CZ-CE 3.84Å; F584-M588 HydrophobicContact CZ-CG 4.35Å; F584-M588 HydrophobicContact CZ-SD 3.35Å; F584-M588 WeakPolarHBondContact CZ-SD 3.28Å; F584-M588 WeakPolarHBondContact O-CG 3.36Å; F584-M588 PolarHBondContact O-N 3.28Å
585N87Confident86.1Confident9 Ų947 Ų475%0.04827%0.273CS..Hα-helixtrans-62.8-40.2177.5-80.7-22.6000112.8V581 F582 M588 L589V581-N585 WeakPolarHBondContact O-CB 3.43Å; V581-N585 PolarHBondContact O-N 2.98Å; F582-N585 PolarHBondContact O-N 3.22Å; N585-M588 HydrophobicContact CB-CE 4.34Å; N585-M588 PolarHBondContact O-N 3Å; N585-M588 WeakPolarHBondContact OD1-CE 3.06Å; N585-L589 VanDerWaalsContact O-CB 3.31Å; N585-L589 WeakPolarHBondContact O-CB 3.33Å; N585-L589 PolarHBondContact O-N 3.08Å
586M85.9Confident85.6Confident71 Ų7146.8 Ų46.835%0.3527%0.272SS..Hα-helixtrans-64-42.3176.3-74.6-61-66.400112.3F582 L583 F584 L589 A590 L621F582-M586 HydrophobicContact CD1-CG 4.44Å; F582-M586 HydrophobicContact CD2-CG 4.04Å; F582-M586 HydrophobicContact CE1-CG 3.99Å; F582-M586 HydrophobicContact CE2-CG 3.51Å; F582-M586 HydrophobicContact CE2-SD 3.88Å; F582-M586 HydrophobicContact CG-CG 4.47Å; F582-M586 HydrophobicContact CZ-CG 3.5Å; F582-M586 HydrophobicContact CZ-SD 4.03Å; F582-M586 WeakPolarHBondContact O-CB 3.22Å; F582-M586 VanDerWaalsContact O-CG 3.31Å; F582-M586 WeakPolarHBondContact O-CG 3.42Å; F582-M586 PolarHBondContact O-N 3.27Å; L583-M586 PolarHBondContact O-N 2.82Å; F584-M586 PolarHBondContact O-N 2.85Å; M586-L589 PolarHBondContact O-N 2.85Å; M586-A590 WeakPolarHBondContact O-CB 3.31Å; M586-A590 PolarHBondContact O-N 3.22Å; M586-L621 HydrophobicContact CE-CD2 4.43Å; M586-L621 HydrophobicContact SD-CD1 4.1Å; M586-L621 HydrophobicContact SD-CD2 3.82Å; M586-L621 HydrophobicContact SD-CG 3.97Å
587A87.7Confident84.9Confident57 Ų5750.6 Ų50.647%0.47128%0.283SS..Hα-helixtrans-63.1-45.1175.700000111.6L583 F584 L589 A590 T591L583-A587 WeakPolarHBondContact O-CB 3.06Å; L583-A587 PolarHBondContact O-N 2.85Å; F584-A587 PolarHBondContact O-N 3.12Å; A587-L589 PolarHBondContact O-N 2.91Å; A587-A590 PolarHBondContact O-N 3Å; A587-T591 WeakPolarHBondContact O-CG2 3.45Å; A587-T591 PolarHBondContact O-N 2.75Å; A587-T591 VanDerWaalsContact O-N 3.08Å; A587-T591 PolarHBondContact O-OG1 2.83Å
588M85.1Confident84.3Confident12 Ų1258 Ų586%0.05931%0.309CS..Hα-helixtrans-61.6-44.6175.8-69.6-175.1-60.400111.6G497 Y498 F584 N585 A590 T591 M592G497-M588 VanDerWaalsContact C-CE 3.46Å; G497-M588 VanDerWaalsContact C-SD 3.52Å; Y498-M588 WeakPolarHBondContact CA-SD 3.14Å; Y498-M588 HydrophobicContact CD2-SD 4.35Å; Y498-M588 PolarHBondContact N-SD 3.46Å; F584-M588 HydrophobicContact CD1-CE 3.22Å; F584-M588 HydrophobicContact CD1-SD 3.93Å; F584-M588 HydrophobicContact CD2-SD 4.47Å; F584-M588 HydrophobicContact CE1-CE 3.17Å; F584-M588 HydrophobicContact CE1-SD 3.34Å; F584-M588 WeakPolarHBondContact CE1-SD 3.43Å; F584-M588 HydrophobicContact CE2-CE 4.47Å; F584-M588 HydrophobicContact CE2-CG 4.39Å; F584-M588 HydrophobicContact CE2-SD 3.95Å; F584-M588 HydrophobicContact CG-CE 3.95Å; F584-M588 HydrophobicContact CG-SD 4.46Å; F584-M588 HydrophobicContact CZ-CE 3.84Å; F584-M588 HydrophobicContact CZ-CG 4.35Å; F584-M588 HydrophobicContact CZ-SD 3.35Å; F584-M588 WeakPolarHBondContact CZ-SD 3.28Å; F584-M588 WeakPolarHBondContact O-CG 3.36Å; F584-M588 PolarHBondContact O-N 3.28Å; N585-M588 HydrophobicContact CB-CE 4.34Å; N585-M588 PolarHBondContact O-N 3Å; N585-M588 WeakPolarHBondContact OD1-CE 3.06Å; M588-A590 PolarHBondContact O-N 2.81Å; M588-T591 PolarHBondContact O-N 2.85Å; M588-T591 PolarHBondContact O-OG1 2.89Å; M588-M592 WeakPolarHBondContact O-CB 3.42Å; M588-M592 VanDerWaalsContact O-CG 3.25Å; M588-M592 WeakPolarHBondContact O-CG 3.28Å; M588-M592 PolarHBondContact O-N 3.47Å
589L82.6Confident83.4Confident19 Ų1963.2 Ų63.210%0.09934%0.337CS..Hα-helixtrans-60.6-46.5177.2-178.254.1000112.1N585 M586 A587 T591 M592 V593 L613 S616 L621N585-L589 VanDerWaalsContact O-CB 3.31Å; N585-L589 WeakPolarHBondContact O-CB 3.33Å; N585-L589 PolarHBondContact O-N 3.08Å; M586-L589 PolarHBondContact O-N 2.85Å; A587-L589 PolarHBondContact O-N 2.91Å; L589-T591 VanDerWaalsContact C-N 3.34Å; L589-T591 PolarHBondContact O-N 2.04Å; L589-M592 PolarHBondContact O-N 3.14Å; L589-V593 HydrophobicContact CD1-CG2 4.13Å; L589-V593 WeakPolarHBondContact O-CG2 3.44Å; L589-V593 PolarHBondContact O-N 2.93Å; L589-L613 HydrophobicContact CD1-CD1 3.69Å; L589-L613 HydrophobicContact CD2-CD1 4.26Å; L589-L613 HydrophobicContact CG-CD1 4.34Å; L589-S616 VanDerWaalsContact CD1-CB 3.5Å; L589-S616 WeakPolarHBondContact CD1-OG 3.22Å; L589-L621 HydrophobicContact CD2-CD1 4.4Å
590A84.8Confident82.3Confident56 Ų5668.2 Ų68.246%0.46335%0.351SS..Hα-helixtrans-58.9-45.7178.400000111.6M586 A587 M588 V593 V594M586-A590 WeakPolarHBondContact O-CB 3.31Å; M586-A590 PolarHBondContact O-N 3.22Å; A587-A590 PolarHBondContact O-N 3Å; M588-A590 PolarHBondContact O-N 2.81Å; A590-V593 PolarHBondContact O-N 2.72Å; A590-V594 VanDerWaalsContact O-CG2 3.32Å; A590-V594 WeakPolarHBondContact O-CG2 3.4Å; A590-V594 PolarHBondContact O-N 3.05Å
591T84.7Confident80.6Confident58 Ų5868.4 Ų68.436%0.35636%0.359SS..Hα-helixtrans-65.6-40.1177.660.60000112.6Y501 A587 M588 L589 V594 Q595Y501-T591 WeakPolarHBondContact CD2-OG1 3.33Å; Y501-T591 VanDerWaalsContact CE2-OG1 3.27Å; Y501-T591 WeakPolarHBondContact CE2-OG1 3.36Å; A587-T591 WeakPolarHBondContact O-CG2 3.45Å; A587-T591 PolarHBondContact O-N 2.75Å; A587-T591 VanDerWaalsContact O-N 3.08Å; A587-T591 PolarHBondContact O-OG1 2.83Å; M588-T591 PolarHBondContact O-N 2.85Å; M588-T591 PolarHBondContact O-OG1 2.89Å; L589-T591 VanDerWaalsContact C-N 3.34Å; L589-T591 PolarHBondContact O-N 2.04Å; T591-V594 PolarHBondContact O-N 3.41Å; T591-Q595 WeakPolarHBondContact O-CB 3.31Å; T591-Q595 VanDerWaalsContact O-CG 3.29Å; T591-Q595 WeakPolarHBondContact O-CG 3.46Å; T591-Q595 PolarHBondContact O-N 2.94Å
592M80.9Confident78.9Confident4 Ų475.1 Ų75.12%0.0239%0.389CS..Hα-helixtrans-61.1-45.6174.6-73168.864.300111.5L500 Y501 V504 V505 M588 L589 Q595 I596 L612L500-M592 HydrophobicContact CB-CE 3.86Å; L500-M592 HydrophobicContact CB-SD 4.21Å; Y501-M592 HydrophobicContact CD2-CG 4.32Å; V504-M592 HydrophobicContact CB-CG 4.36Å; V504-M592 HydrophobicContact CG2-CE 3.91Å; V505-M592 HydrophobicContact CG2-CG 4.43Å; M588-M592 WeakPolarHBondContact O-CB 3.42Å; M588-M592 VanDerWaalsContact O-CG 3.25Å; M588-M592 WeakPolarHBondContact O-CG 3.28Å; M588-M592 PolarHBondContact O-N 3.47Å; L589-M592 PolarHBondContact O-N 3.14Å; M592-Q595 PolarHBondContact O-N 2.86Å; M592-I596 WeakPolarHBondContact O-CB 3.46Å; M592-I596 WeakPolarHBondContact O-CD1 3.37Å; M592-I596 WeakPolarHBondContact O-CG1 3.4Å; M592-I596 PolarHBondContact O-N 2.78Å; M592-L612 HydrophobicContact CE-CD2 3.82Å; M592-L612 HydrophobicContact CE-CG 4.31Å
593V79.9Confident77.1Confident53 Ų5379.3 Ų79.332%0.32142%0.417SS..Hα-helixtrans-61.1-47.8177.6169.80000110.6L589 A590 Q595 I596 L597 L613L589-V593 HydrophobicContact CD1-CG2 4.13Å; L589-V593 WeakPolarHBondContact O-CG2 3.44Å; L589-V593 PolarHBondContact O-N 2.93Å; A590-V593 PolarHBondContact O-N 2.72Å; V593-Q595 VanDerWaalsContact C-N 3.33Å; V593-Q595 PolarHBondContact O-N 2.85Å; V593-I596 PolarHBondContact O-N 2.65Å; V593-L597 HydrophobicContact CG1-CD1 3.76Å; V593-L597 HydrophobicContact CG1-CG 4.28Å; V593-L597 WeakPolarHBondContact O-CB 3.29Å; V593-L597 VanDerWaalsContact O-CG 3.23Å; V593-L597 WeakPolarHBondContact O-CG 3.29Å; V593-L597 PolarHBondContact O-N 2.83Å; V593-L613 HydrophobicContact CG2-CD1 4.2Å
594V83.4Confident75Confident65 Ų6582 Ų8239%0.39443%0.427SS..Hα-helixtrans-58.5-45.1177.5170.20000111.3A590 T591 L597 R598A590-V594 VanDerWaalsContact O-CG2 3.32Å; A590-V594 WeakPolarHBondContact O-CG2 3.4Å; A590-V594 PolarHBondContact O-N 3.05Å; T591-V594 PolarHBondContact O-N 3.41Å; V594-L597 PolarHBondContact O-N 2.79Å; V594-R598 WeakPolarHBondContact O-CB 3.36Å; V594-R598 VanDerWaalsContact O-CG 3.24Å; V594-R598 WeakPolarHBondContact O-CG 3.4Å; V594-R598 PolarHBondContact O-N 2.63Å
595Q79.8Confident73.4Confident59 Ų5982.7 Ų82.728%0.27643%0.429SS..Hα-helixtrans-68.1-40.8179.8-70-691.700112.5V505 T591 M592 V593 R598 L599V505-Q595 HydrophobicContact CG1-CG 4.17Å; V505-Q595 HydrophobicContact CG2-CB 4.27Å; V505-Q595 HydrophobicContact CG2-CG 3.94Å; T591-Q595 WeakPolarHBondContact O-CB 3.31Å; T591-Q595 VanDerWaalsContact O-CG 3.29Å; T591-Q595 WeakPolarHBondContact O-CG 3.46Å; T591-Q595 PolarHBondContact O-N 2.94Å; M592-Q595 PolarHBondContact O-N 2.86Å; V593-Q595 VanDerWaalsContact C-N 3.33Å; V593-Q595 PolarHBondContact O-N 2.85Å; Q595-R598 PolarHBondContact O-N 2.86Å; Q595-L599 WeakPolarHBondContact O-CB 3.28Å; Q595-L599 WeakPolarHBondContact O-CD1 3.42Å; Q595-L599 WeakPolarHBondContact O-CG 3.31Å; Q595-L599 PolarHBondContact O-N 2.64Å
596I75Confident71.9Confident33 Ų3392.9 Ų92.917%0.16947%0.467CS..Hα-helixtrans-62.1-44.5175.9-72.1167.4000110.8V504 M592 V593 R598 L599 R600 V609 L612V504-I596 HydrophobicContact CG1-CD1 4.2Å; V504-I596 HydrophobicContact CG1-CG1 3.86Å; M592-I596 WeakPolarHBondContact O-CB 3.46Å; M592-I596 WeakPolarHBondContact O-CD1 3.37Å; M592-I596 WeakPolarHBondContact O-CG1 3.4Å; M592-I596 PolarHBondContact O-N 2.78Å; V593-I596 PolarHBondContact O-N 2.65Å; I596-R598 VanDerWaalsContact C-N 3.31Å; I596-R598 PolarHBondContact O-N 3.12Å; I596-L599 PolarHBondContact O-N 3.43Å; I596-R600 PolarHBondContact O-N 3.43Å; I596-R600 VanDerWaalsContact O-N 3.15Å; I596-V609 HydrophobicContact CG2-CB 4.26Å; I596-V609 HydrophobicContact CG2-CG1 3.8Å; I596-V609 HydrophobicContact CG2-CG2 3.46Å; I596-V609 VanDerWaalsContact CG2-CG2 3.46Å; I596-L612 HydrophobicContact CD1-CD2 4.25Å
597L74.9Confident70.5Confident116 Ų11692.8 Ų92.861%0.60747%0.473SS*.Hα-helixtrans-63.2-36.3176.3-70.1172.8000111.9V593 V594V593-L597 HydrophobicContact CG1-CD1 3.76Å; V593-L597 HydrophobicContact CG1-CG 4.28Å; V593-L597 WeakPolarHBondContact O-CB 3.29Å; V593-L597 VanDerWaalsContact O-CG 3.23Å; V593-L597 WeakPolarHBondContact O-CG 3.29Å; V593-L597 PolarHBondContact O-N 2.83Å; V594-L597 PolarHBondContact O-N 2.79Å
598R76.7Confident69.1Low179 Ų17994 Ų9468%0.67547%0.47SS*.Hα-helixtrans-68.6-39.4175-74.1172.4-177.3-170.51.8113.1V594 Q595 I596V594-R598 WeakPolarHBondContact O-CB 3.36Å; V594-R598 VanDerWaalsContact O-CG 3.24Å; V594-R598 WeakPolarHBondContact O-CG 3.4Å; V594-R598 PolarHBondContact O-N 2.63Å; Q595-R598 PolarHBondContact O-N 2.86Å; I596-R598 VanDerWaalsContact C-N 3.31Å; I596-R598 PolarHBondContact O-N 3.12Å
599L70.8Confident67.8Low123 Ų12395.3 Ų95.364%0.64448%0.478SS*.Hα-helixtrans-83.9-23.1-172.6-76.8159.5000114.5Q595 I596Q595-L599 WeakPolarHBondContact O-CB 3.28Å; Q595-L599 WeakPolarHBondContact O-CD1 3.42Å; Q595-L599 WeakPolarHBondContact O-CG 3.31Å; Q595-L599 PolarHBondContact O-N 2.64Å; I596-L599 PolarHBondContact O-N 3.43Å
600R64.8Low66.8Low140 Ų140100.1 Ų100.153%0.52850%0.503SS..  trans-138.177.3-176.9-74.7-168.9-176.2158.97.8113.9I596 K605I596-R600 PolarHBondContact O-N 3.43Å; I596-R600 VanDerWaalsContact O-N 3.15Å; R600-K605 VanDerWaalsContact NH1-CD 3.28Å
601P55.4Low65.8Low115 Ų11599 Ų9975%0.74749%0.49SS*.  trans-75.1-23.3175.526.7-31.3000113.9
602H52.9Low64.9Low165 Ų16598 Ų9876%0.76448%0.483SS*.SBendtrans-149.7133.1-167.4-13912.9000113.4
603T48Very low64Low122 Ų122101.1 Ų101.175%0.74850%0.499SS*.SBendtrans77.6107.6167.470.50000117.3
604Q46.5Very low63.4Low174 Ų17499.7 Ų99.781%0.81350%0.496SS*.SBendtrans64.8120.3166.5-139.398-24.400117
605K54Low62.5Low106 Ų10697 Ų9746%0.46148%0.479SS..  trans118.125.7167.3-61.4167178.5179.80117.4R600 S607 H608 V609R600-K605 VanDerWaalsContact NH1-CD 3.28Å; K605-S607 PolarHBondContact O-N 3.19Å; K605-S607 VanDerWaalsContact O-N 3.16Å; K605-H608 PolarHBondContact O-N 3.08Å; K605-H608 VanDerWaalsContact O-N 3.14Å; K605-V609 PolarHBondContact O-N 3.49Å
606W55.3Low62Low223 Ų22394.7 Ų94.785%0.84547%0.469SS*.Hα-helixtrans-49.1-34.1161.2-88.992.3000112.8H608 V609 L610W606-H608 PolarHBondContact O-N 3.18Å; W606-V609 PolarHBondContact O-N 3.15Å; W606-L610 WeakPolarHBondContact O-CB 3.15Å; W606-L610 PolarHBondContact O-N 3.26Å
607S56.9Low61.3Low69 Ų6997.2 Ų97.248%0.48348%0.482SS..Hα-helixtrans-58.1-44176.7174.90000113.6K605 T611K605-S607 PolarHBondContact O-N 3.19Å; K605-S607 VanDerWaalsContact O-N 3.16Å; S607-T611 VanDerWaalsContact O-CB 3.31Å; S607-T611 WeakPolarHBondContact O-CB 3.49Å; S607-T611 PolarHBondContact O-N 2.94Å; S607-T611 PolarHBondContact O-OG1 2.87Å
608H58.4Low60.9Low84 Ų8493.4 Ų93.439%0.38946%0.464SS..Hα-helixtrans-72.8-33.7-179.8-65.8-48.4000112.5K605 W606 T611 L612K605-H608 PolarHBondContact O-N 3.08Å; K605-H608 VanDerWaalsContact O-N 3.14Å; W606-H608 PolarHBondContact O-N 3.18Å; H608-T611 PolarHBondContact O-N 2.95Å; H608-L612 WeakPolarHBondContact O-CB 3.49Å; H608-L612 PolarHBondContact O-N 3.06Å
609V58.3Low60.5Low39 Ų3985.2 Ų85.224%0.23643%0.434CS..Hα-helixtrans-65.9-47.8174.8177.90000110.1I596 K605 W606 T611 L612 L613I596-V609 HydrophobicContact CG2-CB 4.26Å; I596-V609 HydrophobicContact CG2-CG1 3.8Å; I596-V609 HydrophobicContact CG2-CG2 3.46Å; I596-V609 VanDerWaalsContact CG2-CG2 3.46Å; K605-V609 PolarHBondContact O-N 3.49Å; W606-V609 PolarHBondContact O-N 3.15Å; V609-T611 VanDerWaalsContact C-N 3.28Å; V609-T611 PolarHBondContact O-N 2.85Å; V609-L612 PolarHBondContact O-N 3.48Å; V609-L613 WeakPolarHBondContact O-CB 3.17Å; V609-L613 PolarHBondContact O-N 2.91Å
610L60.7Low60.3Low119 Ų11979.7 Ų79.762%0.62341%0.406SS*.Hα-helixtrans-61.6-38177.2-17364.1000111.8W606 G614W606-L610 WeakPolarHBondContact O-CB 3.15Å; W606-L610 PolarHBondContact O-N 3.26Å; L610-G614 WeakPolarHBondContact O-CA 3.44Å; L610-G614 PolarHBondContact O-N 3.26Å
611T63.5Low60.5Low32 Ų3275.5 Ų75.520%0.19639%0.394CS..Hα-helixtrans-69-40.7177.7-56.90000112.1S607 H608 V609 L615 M661S607-T611 VanDerWaalsContact O-CB 3.31Å; S607-T611 WeakPolarHBondContact O-CB 3.49Å; S607-T611 PolarHBondContact O-N 2.94Å; S607-T611 PolarHBondContact O-OG1 2.87Å; H608-T611 PolarHBondContact O-N 2.95Å; V609-T611 VanDerWaalsContact C-N 3.28Å; V609-T611 PolarHBondContact O-N 2.85Å; T611-L615 PolarHBondContact O-N 2.9Å; T611-L615 VanDerWaalsContact O-N 3.1Å; T611-M661 HydrophobicContact CG2-SD 4.26Å
612L66.2Low61.3Low38 Ų3870.5 Ų70.520%0.19936%0.362CS..Hα-helixtrans-73.4-39179-151.778.8000111.6L500 V504 M592 I596 H608 V609 L615 S616L500-L612 HydrophobicContact CD2-CD1 4.28Å; V504-L612 HydrophobicContact CG2-CD2 3.49Å; V504-L612 VanDerWaalsContact CG2-CD2 3.49Å; M592-L612 HydrophobicContact CE-CD2 3.82Å; M592-L612 HydrophobicContact CE-CG 4.31Å; I596-L612 HydrophobicContact CD1-CD2 4.25Å; H608-L612 WeakPolarHBondContact O-CB 3.49Å; H608-L612 PolarHBondContact O-N 3.06Å; V609-L612 PolarHBondContact O-N 3.48Å; L612-L615 PolarHBondContact O-N 2.74Å; L612-S616 PolarHBondContact O-N 2.69Å; L612-S616 VanDerWaalsContact O-N 3.09Å
613L62.6Low62.4Low69 Ų6964 Ų6436%0.36133%0.33SS..Hα-helixtrans-63.1-44.9172.1178.859.3000110.9L589 V593 V609 L615 S616 L617L589-L613 HydrophobicContact CD1-CD1 3.69Å; L589-L613 HydrophobicContact CD2-CD1 4.26Å; L589-L613 HydrophobicContact CG-CD1 4.34Å; V593-L613 HydrophobicContact CG2-CD1 4.2Å; V609-L613 WeakPolarHBondContact O-CB 3.17Å; V609-L613 PolarHBondContact O-N 2.91Å; L613-L615 VanDerWaalsContact C-N 3.28Å; L613-L615 PolarHBondContact O-N 2.83Å; L613-S616 PolarHBondContact O-N 2.89Å; L613-L617 VanDerWaalsContact O-CB 3.22Å; L613-L617 WeakPolarHBondContact O-CB 3.4Å; L613-L617 PolarHBondContact O-N 2.91Å
614G66.5Low63.6Low24 Ų2458.4 Ų58.425%0.24730%0.297CS..Hα-helixtrans-59.5-37.4175.600000112.6L610 L617 V618L610-G614 WeakPolarHBondContact O-CA 3.44Å; L610-G614 PolarHBondContact O-N 3.26Å; G614-L617 WeakPolarHBondContact O-CB 3.47Å; G614-L617 PolarHBondContact O-N 2.79Å; G614-V618 WeakPolarHBondContact O-CB 3.41Å; G614-V618 WeakPolarHBondContact O-CG2 3.22Å; G614-V618 PolarHBondContact O-N 2.93Å
615L65.9Low65.1Low8 Ų851.9 Ų51.94%0.04227%0.268CS..Hα-helixtrans-70.9-43.7176.7-168.9128.2000112.4L500 T611 L612 L613 L617 V618 L619 W657L500-L615 HydrophobicContact CD1-CD2 3.32Å; L500-L615 HydrophobicContact CD2-CD2 4.23Å; L500-L615 HydrophobicContact CG-CD2 4.37Å; T611-L615 PolarHBondContact O-N 2.9Å; T611-L615 VanDerWaalsContact O-N 3.1Å; L612-L615 PolarHBondContact O-N 2.74Å; L613-L615 VanDerWaalsContact C-N 3.28Å; L613-L615 PolarHBondContact O-N 2.83Å; L615-L617 PolarHBondContact O-N 2.86Å; L615-V618 PolarHBondContact O-N 3.05Å; L615-L619 HydrophobicContact CD2-CD1 3.6Å; L615-L619 HydrophobicContact CG-CD1 4.1Å; L615-L619 WeakPolarHBondContact O-CB 3.34Å; L615-L619 WeakPolarHBondContact O-CG 2.87Å; L615-L619 PolarHBondContact O-N 2.67Å; L615-L619 VanDerWaalsContact O-N 3.12Å; L615-W657 HydrophobicContact CD1-CD2 3.21Å; L615-W657 HydrophobicContact CD1-CE3 3.39Å; L615-W657 HydrophobicContact CD1-CG 3.85Å; L615-W657 HydrophobicContact CD1-CH2 3.56Å; L615-W657 HydrophobicContact CD1-CZ2 3.4Å; L615-W657 VanDerWaalsContact CD1-CZ2 3.4Å; L615-W657 HydrophobicContact CD1-CZ3 3.55Å
616S68Low66.1Low11 Ų1149.8 Ų49.88%0.07726%0.26CS..Hα-helixtrans-63.3-32.6173.1-171.60000112.4L589 L612 L613L589-S616 VanDerWaalsContact CD1-CB 3.5Å; L589-S616 WeakPolarHBondContact CD1-OG 3.22Å; L612-S616 PolarHBondContact O-N 2.69Å; L612-S616 VanDerWaalsContact O-N 3.09Å; L613-S616 PolarHBondContact O-N 2.89Å
617L62Low67Low85 Ų8542.9 Ų42.945%0.44524%0.237SC..Hα-helixtrans-66.6-53.4176-179.870.4000109.9L613 G614 L615 L619 G620 L621 P622L613-L617 VanDerWaalsContact O-CB 3.22Å; L613-L617 WeakPolarHBondContact O-CB 3.4Å; L613-L617 PolarHBondContact O-N 2.91Å; G614-L617 WeakPolarHBondContact O-CB 3.47Å; G614-L617 PolarHBondContact O-N 2.79Å; L615-L617 PolarHBondContact O-N 2.86Å; L617-L619 PolarHBondContact O-N 2.81Å; L617-G620 PolarHBondContact O-N 2.82Å; L617-L621 HydrophobicContact CD1-CB 3.61Å; L617-L621 HydrophobicContact CD1-CD1 3.14Å; L617-L621 HydrophobicContact CD1-CG 3.93Å; L617-L621 HydrophobicContact CG-CD1 4.41Å; L617-L621 PolarHBondContact O-N 2.82Å; L617-L621 VanDerWaalsContact O-N 3.09Å; L617-P622 WeakPolarHBondContact O-CD 3.33Å
618V64.7Low67.7Low37 Ų3745.2 Ų45.222%0.22424%0.238CC..Hα-helixtrans-56.7-32.5178.3169.90000112.2G614 L615 L653 I654G614-V618 WeakPolarHBondContact O-CB 3.41Å; G614-V618 WeakPolarHBondContact O-CG2 3.22Å; G614-V618 PolarHBondContact O-N 2.93Å; L615-V618 PolarHBondContact O-N 3.05Å; V618-L653 HydrophobicContact CG1-CB 4.4Å; V618-I654 HydrophobicContact CG1-CG1 4.49Å
619L68.3Low68.1Low6 Ų642.8 Ų42.83%0.03123%0.231CC..THydrogen-bonded Turntrans-86.70.4-176-67.1174.1000116L449 M493 E496 L615 L617 I654L449-L619 HydrophobicContact CD2-CD2 3.35Å; M493-L619 VanDerWaalsContact CE-C 3.49Å; M493-L619 WeakPolarHBondContact CE-O 3.32Å; M493-L619 HydrophobicContact CG-CD2 4.48Å; E496-L619 HydrophobicContact CB-CD1 4.25Å; E496-L619 HydrophobicContact CG-CD1 3.68Å; L615-L619 HydrophobicContact CD2-CD1 3.6Å; L615-L619 HydrophobicContact CG-CD1 4.1Å; L615-L619 WeakPolarHBondContact O-CB 3.34Å; L615-L619 WeakPolarHBondContact O-CG 2.87Å; L615-L619 PolarHBondContact O-N 2.67Å; L615-L619 VanDerWaalsContact O-N 3.12Å; L617-L619 PolarHBondContact O-N 2.81Å; L619-I654 HydrophobicContact CD2-CD1 4.23Å
620G67.5Low68.3Low7 Ų750 Ų507%0.07226%0.259CS..THydrogen-bonded Turntrans-157.3-33.5-178.600000116.7L617 A624L617-G620 PolarHBondContact O-N 2.82Å; G620-A624 PolarHBondContact O-N 2.82Å
621L68.2Low68.2Low52 Ų5246 Ų4627%0.27224%0.243SC..Hα-helixtrans-77.9-35.4-174.4-85.7164.4000114.9F582 M586 L589 L617 W623 A624F582-L621 HydrophobicContact CE2-CD2 3.93Å; F582-L621 HydrophobicContact CE2-CG 4.46Å; F582-L621 HydrophobicContact CZ-CD2 4.29Å; M586-L621 HydrophobicContact CE-CD2 4.43Å; M586-L621 HydrophobicContact SD-CD1 4.1Å; M586-L621 HydrophobicContact SD-CD2 3.82Å; M586-L621 HydrophobicContact SD-CG 3.97Å; L589-L621 HydrophobicContact CD2-CD1 4.4Å; L617-L621 HydrophobicContact CD1-CB 3.61Å; L617-L621 HydrophobicContact CD1-CD1 3.14Å; L617-L621 HydrophobicContact CD1-CG 3.93Å; L617-L621 HydrophobicContact CG-CD1 4.41Å; L617-L621 PolarHBondContact O-N 2.82Å; L617-L621 VanDerWaalsContact O-N 3.09Å; L621-W623 PolarHBondContact O-N 3.05Å; L621-A624 HydrophobicContact CD2-CB 4.42Å; L621-A624 WeakPolarHBondContact O-CA 3.21Å; L621-A624 WeakPolarHBondContact O-CB 3.25Å; L621-A624 PolarHBondContact O-N 2.95Å
622P72.9Confident68Low11 Ų1148.7 Ų48.77%0.07126%0.264CS..Hα-helixtrans-56.5-37.2172.2-27.734000112L617 A624 L625 F643 I646L617-P622 WeakPolarHBondContact O-CD 3.33Å; P622-A624 VanDerWaalsContact C-N 3.28Å; P622-A624 PolarHBondContact O-N 2.86Å; P622-L625 WeakPolarHBondContact O-CB 3.35Å; P622-L625 VanDerWaalsContact O-CG 3.24Å; P622-L625 WeakPolarHBondContact O-CG 3.34Å; P622-L625 PolarHBondContact O-N 3.38Å; P622-F643 WeakPolarHBondContact O-CD2 3.36Å; P622-I646 HydrophobicContact CB-CB 3.79Å; P622-I646 HydrophobicContact CB-CD1 4.06Å; P622-I646 HydrophobicContact CB-CG2 3.32Å; P622-I646 HydrophobicContact CG-CB 4.19Å; P622-I646 HydrophobicContact CG-CD1 4.26Å; P622-I646 HydrophobicContact CG-CG2 3.25Å
623W75.6Confident68Low27 Ų2748.5 Ų48.510%0.10227%0.271CS..Hα-helixtrans-68.5-29.2176.9-66.882.9000112.5L486 M493 F578 L621 L625 I626 F643 T647L486-W623 HydrophobicContact CD1-CH2 3.83Å; L486-W623 HydrophobicContact CD1-CZ3 4.08Å; M493-W623 VanDerWaalsContact CE-CD1 3.48Å; M493-W623 HydrophobicContact CE-CG 4.46Å; F578-W623 HydrophobicContact CD2-CB 4.11Å; F578-W623 HydrophobicContact CE1-CB 4.38Å; F578-W623 HydrophobicContact CE2-CB 3.11Å; F578-W623 AromaticContact CE2-CG 3.98Å; F578-W623 HydrophobicContact CE2-CG 3.98Å; F578-W623 HydrophobicContact CZ-CB 3.29Å; F578-W623 VanDerWaalsContact CZ-O 3.3Å; F578-W623 WeakPolarHBondContact CZ-O 3.28Å; L621-W623 PolarHBondContact O-N 3.05Å; W623-L625 PolarHBondContact O-N 2.86Å; W623-I626 WeakPolarHBondContact O-CB 3.31Å; W623-I626 WeakPolarHBondContact O-CG2 3.28Å; W623-I626 PolarHBondContact O-N 3.21Å; W623-F643 HydrophobicContact CD2-CE2 4.38Å; W623-F643 HydrophobicContact CE3-CE2 4.01Å; W623-F643 HydrophobicContact CE3-CZ 4.17Å; W623-F643 HydrophobicContact CZ3-CZ 4.27Å; W623-T647 HydrophobicContact CD2-CG2 4.15Å; W623-T647 HydrophobicContact CZ2-CG2 4.14Å
624A74.4Confident68.4Low5 Ų550.7 Ų50.74%0.04129%0.287CS..Hα-helixtrans-63.2-21.4175.500000112.9F582 G620 L621 P622 I626 F627 F628F582-A624 HydrophobicContact CD2-CB 3.93Å; F582-A624 HydrophobicContact CE1-CB 4.35Å; F582-A624 HydrophobicContact CE2-CB 3.37Å; F582-A624 HydrophobicContact CZ-CB 3.6Å; G620-A624 PolarHBondContact O-N 2.82Å; L621-A624 HydrophobicContact CD2-CB 4.42Å; L621-A624 WeakPolarHBondContact O-CA 3.21Å; L621-A624 WeakPolarHBondContact O-CB 3.25Å; L621-A624 PolarHBondContact O-N 2.95Å; P622-A624 VanDerWaalsContact C-N 3.28Å; P622-A624 PolarHBondContact O-N 2.86Å; A624-I626 PolarHBondContact O-N 3.09Å; A624-I626 VanDerWaalsContact O-N 3.14Å; A624-F627 HydrophobicContact CB-CD2 4.47Å; A624-F627 WeakPolarHBondContact O-CB 3.23Å; A624-F627 PolarHBondContact O-N 2.93Å; A624-F628 WeakPolarHBondContact O-CD2 3.46Å
625L77.9Confident68.8Low38 Ų3855 Ų5520%0.19930%0.3CS..Hα-helixtrans-55.3-27.4171.1-61.6176.7000111.4P622 W623 F627 F628 S629 V639 L642 F643 I646P622-L625 WeakPolarHBondContact O-CB 3.35Å; P622-L625 VanDerWaalsContact O-CG 3.24Å; P622-L625 WeakPolarHBondContact O-CG 3.34Å; P622-L625 PolarHBondContact O-N 3.38Å; W623-L625 PolarHBondContact O-N 2.86Å; L625-F627 VanDerWaalsContact C-N 3.28Å; L625-F627 PolarHBondContact O-N 3.42Å; L625-F628 PolarHBondContact O-N 2.63Å; L625-F628 VanDerWaalsContact O-N 3.07Å; L625-S629 PolarHBondContact O-N 2.87Å; L625-V639 HydrophobicContact CB-CG1 3.97Å; L625-V639 WeakPolarHBondContact O-CG1 3.21Å; L625-L642 HydrophobicContact CD1-CB 3.88Å; L625-F643 HydrophobicContact CB-CB 4.13Å; L625-F643 HydrophobicContact CB-CD2 4.38Å; L625-F643 HydrophobicContact CD1-CB 4.42Å; L625-I646 HydrophobicContact CD1-CD1 4.23Å
626I74.4Confident69.3Low61 Ų6156.8 Ų56.831%0.31331%0.307SS..Hα-helixtrans-63.3-32.4176-150.1166.2000112.6L575 F578 W623 A624 F628 S629 F643L575-I626 HydrophobicContact CD1-CG2 4.3Å; F578-I626 HydrophobicContact CD1-CG2 3.99Å; F578-I626 HydrophobicContact CE1-CG2 3.56Å; F578-I626 HydrophobicContact CZ-CG2 4.43Å; W623-I626 WeakPolarHBondContact O-CB 3.31Å; W623-I626 WeakPolarHBondContact O-CG2 3.28Å; W623-I626 PolarHBondContact O-N 3.21Å; A624-I626 PolarHBondContact O-N 3.09Å; A624-I626 VanDerWaalsContact O-N 3.14Å; I626-F628 VanDerWaalsContact C-N 3.29Å; I626-F628 PolarHBondContact O-N 3.14Å; I626-S629 VanDerWaalsContact O-CB 3.3Å; I626-S629 WeakPolarHBondContact O-CB 3.32Å; I626-S629 PolarHBondContact O-N 3.26Å; I626-S629 PolarHBondContact O-OG 3.46Å; I626-F643 HydrophobicContact CB-CD2 4.48Å; I626-F643 HydrophobicContact CB-CE2 4.2Å; I626-F643 HydrophobicContact CD1-CE2 4.38Å; I626-F643 HydrophobicContact CD1-CZ 4.12Å
627F75.1Confident69.8Low78 Ų7858.1 Ų58.134%0.34231%0.314SS..Hα-helixtrans-68.1-32.1174.9-67.4-65.3000111.9L575 F578 S579 F582 A624 L625 S629L575-F627 HydrophobicContact CD1-CE1 3.92Å; L575-F627 HydrophobicContact CD1-CZ 4.41Å; L575-F627 HydrophobicContact CG-CE1 4.32Å; F578-F627 AromaticContact CD1-CE2 3.84Å; F578-F627 HydrophobicContact CD1-CE2 3.84Å; F578-F627 AromaticContact CD1-CZ 3.7Å; F578-F627 HydrophobicContact CD1-CZ 3.7Å; F578-F627 AromaticContact CE1-CD2 3.88Å; F578-F627 HydrophobicContact CE1-CD2 3.88Å; F578-F627 AromaticContact CE1-CE2 3.2Å; F578-F627 HydrophobicContact CE1-CE2 3.2Å; F578-F627 AromaticContact CE1-CZ 3.57Å; F578-F627 HydrophobicContact CE1-CZ 3.57Å; F578-F627 HydrophobicContact CZ-CE2 4Å; S579-F627 VanDerWaalsContact OG-CZ 3.27Å; S579-F627 WeakPolarHBondContact OG-CZ 3.06Å; F582-F627 HydrophobicContact CD1-CE2 4.07Å; F582-F627 HydrophobicContact CG-CE2 4.41Å; A624-F627 HydrophobicContact CB-CD2 4.47Å; A624-F627 WeakPolarHBondContact O-CB 3.23Å; A624-F627 PolarHBondContact O-N 2.93Å; L625-F627 VanDerWaalsContact C-N 3.28Å; L625-F627 PolarHBondContact O-N 3.42Å; F627-S629 PolarHBondContact O-N 3.01Å
628F70.7Confident70.9Confident118 Ų11857.7 Ų57.752%0.51831%0.314SS..Hα-helixtrans-76.7-9.4176.3-64.9-76.2000112.9A624 L625 I626 F630 A631 F635 V639A624-F628 WeakPolarHBondContact O-CD2 3.46Å; L625-F628 PolarHBondContact O-N 2.63Å; L625-F628 VanDerWaalsContact O-N 3.07Å; I626-F628 VanDerWaalsContact C-N 3.29Å; I626-F628 PolarHBondContact O-N 3.14Å; F628-F630 PolarHBondContact O-N 3.1Å; F628-A631 WeakPolarHBondContact O-CB 3.34Å; F628-A631 PolarHBondContact O-N 2.86Å; F628-F635 HydrophobicContact CB-CE1 4.3Å; F628-V639 HydrophobicContact CB-CG1 4.07Å; F628-V639 HydrophobicContact CB-CG2 4.3Å
629S67.7Low71.8Confident33 Ų3356.2 Ų56.223%0.23131%0.305CS..THydrogen-bonded Turntrans-69.7-11.2175.376.70000114.1L625 I626 F627 A631 Q636L625-S629 PolarHBondContact O-N 2.87Å; I626-S629 VanDerWaalsContact O-CB 3.3Å; I626-S629 WeakPolarHBondContact O-CB 3.32Å; I626-S629 PolarHBondContact O-N 3.26Å; I626-S629 PolarHBondContact O-OG 3.46Å; F627-S629 PolarHBondContact O-N 3.01Å; S629-A631 PolarHBondContact O-N 3.46Å; S629-Q636 WeakPolarHBondContact O-CG 3.36Å; S629-Q636 PolarHBondContact O-NE2 2.84Å
630F62Low72.6Confident191 Ų19157.9 Ų57.984%0.83831%0.314SS*.THydrogen-bonded Turntrans-68.3-21.7170.5-175.3-93.7000112.5F628F628-F630 PolarHBondContact O-N 3.1Å
631A57.9Low73.6Confident35 Ų3560.3 Ų60.329%0.28932%0.321SS..SBendtrans-64.4146.3173.700000110.3F628 S629 F635 Q636F628-A631 WeakPolarHBondContact O-CB 3.34Å; F628-A631 PolarHBondContact O-N 2.86Å; S629-A631 PolarHBondContact O-N 3.46Å; A631-F635 HydrophobicContact CB-CD1 3.58Å; A631-F635 HydrophobicContact CB-CE1 3.99Å; A631-Q636 WeakPolarHBondContact O-CB 3.49Å; A631-Q636 VanDerWaalsContact O-CG 3.28Å; A631-Q636 WeakPolarHBondContact O-CG 3.15Å; A631-Q636 PolarHBondContact O-OE1 3.46Å
632S60.1Low74.5Confident89 Ų8961.7 Ų61.762%0.62233%0.329SS*.  trans-98.6152.6-177.2570000113
633G64.7Low75.1Confident34 Ų3463 Ų6335%0.35133%0.333SS..SBendtrans87.4-152.1171.600000115.1F635 Q636 L637G633-F635 PolarHBondContact O-N 2.79Å; G633-Q636 VanDerWaalsContact O-CB 3.22Å; G633-Q636 WeakPolarHBondContact O-CB 3.48Å; G633-Q636 PolarHBondContact O-N 3.38Å; G633-Q636 VanDerWaalsContact O-N 3.09Å; G633-L637 PolarHBondContact O-N 2.9Å
634T73Confident75.6Confident115 Ų11562 Ų6271%0.70633%0.331SS*.Hα-helixtrans-59.2-31.3-174.2-45.70000113.3L637 V638T634-L637 WeakPolarHBondContact O-CB 3.25Å; T634-L637 PolarHBondContact O-N 2.89Å; T634-V638 WeakPolarHBondContact O-CG2 3.33Å; T634-V638 PolarHBondContact O-N 3.12Å; T634-V638 VanDerWaalsContact O-N 3.11Å
635F74.1Confident76.3Confident115 Ų11565.4 Ų65.450%0.50435%0.347SS..Hα-helixtrans-64.7-41.1177-179.8-101.4000111.8F628 A631 G633 L637 V638 V639F628-F635 HydrophobicContact CB-CE1 4.3Å; A631-F635 HydrophobicContact CB-CD1 3.58Å; A631-F635 HydrophobicContact CB-CE1 3.99Å; G633-F635 PolarHBondContact O-N 2.79Å; F635-L637 VanDerWaalsContact C-N 3.27Å; F635-L637 PolarHBondContact O-N 2.88Å; F635-V638 PolarHBondContact O-N 2.77Å; F635-V639 HydrophobicContact CD1-CG2 4.07Å; F635-V639 HydrophobicContact CE1-CG2 3.69Å; F635-V639 HydrophobicContact CE2-CG2 4.16Å; F635-V639 HydrophobicContact CG-CG2 4.48Å; F635-V639 HydrophobicContact CZ-CG2 3.74Å; F635-V639 WeakPolarHBondContact O-CB 3.39Å; F635-V639 VanDerWaalsContact O-CG2 3.27Å; F635-V639 WeakPolarHBondContact O-CG2 3.29Å; F635-V639 PolarHBondContact O-N 3.04Å
636Q76.6Confident76.6Confident44 Ų4465.8 Ų65.821%0.20635%0.349CS..Hα-helixtrans-56-45.6173.9-164.1-177-11.300111.3S629 A631 G633 V639 L640S629-Q636 WeakPolarHBondContact O-CG 3.36Å; S629-Q636 PolarHBondContact O-NE2 2.84Å; A631-Q636 WeakPolarHBondContact O-CB 3.49Å; A631-Q636 VanDerWaalsContact O-CG 3.28Å; A631-Q636 WeakPolarHBondContact O-CG 3.15Å; A631-Q636 PolarHBondContact O-OE1 3.46Å; G633-Q636 VanDerWaalsContact O-CB 3.22Å; G633-Q636 WeakPolarHBondContact O-CB 3.48Å; G633-Q636 PolarHBondContact O-N 3.38Å; G633-Q636 VanDerWaalsContact O-N 3.09Å; Q636-V639 PolarHBondContact O-N 2.9Å; Q636-L640 HydrophobicContact CG-CD1 4.16Å; Q636-L640 WeakPolarHBondContact O-CB 3.39Å; Q636-L640 VanDerWaalsContact O-CG 3.28Å; Q636-L640 WeakPolarHBondContact O-CG 3.49Å; Q636-L640 PolarHBondContact O-N 2.83Å
637L78.9Confident77.1Confident40 Ų4064 Ų6421%0.20934%0.341CS..Hα-helixtrans-59.8-50-179.8-171.464.4000111V395 H399 G633 T634 F635 V639 L640 Y641V395-L637 HydrophobicContact CG1-CD1 3.96Å; H399-L637 HydrophobicContact CB-CD1 3.94Å; G633-L637 PolarHBondContact O-N 2.9Å; T634-L637 WeakPolarHBondContact O-CB 3.25Å; T634-L637 PolarHBondContact O-N 2.89Å; F635-L637 VanDerWaalsContact C-N 3.27Å; F635-L637 PolarHBondContact O-N 2.88Å; L637-V639 VanDerWaalsContact C-N 3.31Å; L637-V639 PolarHBondContact O-N 3.32Å; L637-L640 PolarHBondContact O-N 2.87Å; L637-Y641 HydrophobicContact CD1-CD2 4.1Å; L637-Y641 HydrophobicContact CD1-CE2 3.69Å; L637-Y641 HydrophobicContact CG-CD2 4.02Å; L637-Y641 HydrophobicContact CG-CE2 3.88Å; L637-Y641 VanDerWaalsContact O-CD2 3.28Å; L637-Y641 WeakPolarHBondContact O-CD2 3.36Å; L637-Y641 PolarHBondContact O-N 3.47Å
638V83.8Confident77.7Confident76 Ų7660.4 Ų60.446%0.46133%0.326SS..Hα-helixtrans-59-44.7177.8174.90000111T634 F635 L640 Y641 L642T634-V638 WeakPolarHBondContact O-CG2 3.33Å; T634-V638 PolarHBondContact O-N 3.12Å; T634-V638 VanDerWaalsContact O-N 3.11Å; F635-V638 PolarHBondContact O-N 2.77Å; V638-L640 PolarHBondContact O-N 3.01Å; V638-Y641 PolarHBondContact O-N 2.82Å; V638-L642 HydrophobicContact CG1-CD1 4Å; V638-L642 HydrophobicContact CG1-CG 4.43Å; V638-L642 WeakPolarHBondContact O-CG 3.44Å; V638-L642 PolarHBondContact O-N 3.06Å
639V84.6Confident78.5Confident6 Ų657.1 Ų57.14%0.03631%0.311CS..Hα-helixtrans-61-43.1177.41700000111.4L625 F628 F635 Q636 L637 L642 F643L625-V639 HydrophobicContact CB-CG1 3.97Å; L625-V639 WeakPolarHBondContact O-CG1 3.21Å; F628-V639 HydrophobicContact CB-CG1 4.07Å; F628-V639 HydrophobicContact CB-CG2 4.3Å; F635-V639 HydrophobicContact CD1-CG2 4.07Å; F635-V639 HydrophobicContact CE1-CG2 3.69Å; F635-V639 HydrophobicContact CE2-CG2 4.16Å; F635-V639 HydrophobicContact CG-CG2 4.48Å; F635-V639 HydrophobicContact CZ-CG2 3.74Å; F635-V639 WeakPolarHBondContact O-CB 3.39Å; F635-V639 VanDerWaalsContact O-CG2 3.27Å; F635-V639 WeakPolarHBondContact O-CG2 3.29Å; F635-V639 PolarHBondContact O-N 3.04Å; Q636-V639 PolarHBondContact O-N 2.9Å; L637-V639 VanDerWaalsContact C-N 3.31Å; L637-V639 PolarHBondContact O-N 3.32Å; V639-L642 PolarHBondContact O-N 2.88Å; V639-F643 VanDerWaalsContact O-CB 3.25Å; V639-F643 WeakPolarHBondContact O-CB 3.29Å; V639-F643 PolarHBondContact O-N 2.79Å
640L84.6Confident79.4Confident41 Ų4155.9 Ų55.922%0.21530%0.302CS..Hα-helixtrans-65.7-40.3177.7-72.3172.7000112.5V395 L403 Q636 L637 V638 S644V395-L640 HydrophobicContact CG2-CD1 3.54Å; L403-L640 HydrophobicContact CD1-CB 4.42Å; Q636-L640 HydrophobicContact CG-CD1 4.16Å; Q636-L640 WeakPolarHBondContact O-CB 3.39Å; Q636-L640 VanDerWaalsContact O-CG 3.28Å; Q636-L640 WeakPolarHBondContact O-CG 3.49Å; Q636-L640 PolarHBondContact O-N 2.83Å; L637-L640 PolarHBondContact O-N 2.87Å; V638-L640 PolarHBondContact O-N 3.01Å; L640-S644 VanDerWaalsContact O-CB 3.28Å; L640-S644 WeakPolarHBondContact O-CB 3.47Å; L640-S644 PolarHBondContact O-N 2.92Å
641Y88.2Confident80.5Confident57 Ų5746.8 Ų46.822%0.22426%0.262CS..Hα-helixtrans-63.7-47.2173.7-88-79.7000111.9H399 L403 L406 L637 V638 F643 S644 I645H399-Y641 AromaticContact CD2-CE2 3.79Å; H399-Y641 PolarHBondContact CD2-OH 3.09Å; L403-Y641 HydrophobicContact CD2-CD1 3.76Å; L403-Y641 HydrophobicContact CD2-CD2 4.27Å; L403-Y641 HydrophobicContact CD2-CE1 3.93Å; L403-Y641 HydrophobicContact CD2-CE2 4.4Å; L403-Y641 HydrophobicContact CD2-CG 3.94Å; L403-Y641 HydrophobicContact CG-CD1 4.5Å; L403-Y641 HydrophobicContact CG-CE1 4.19Å; L403-Y641 HydrophobicContact CG-CE2 4.41Å; L406-Y641 HydrophobicContact CD2-CD1 4.17Å; L637-Y641 HydrophobicContact CD1-CD2 4.1Å; L637-Y641 HydrophobicContact CD1-CE2 3.69Å; L637-Y641 HydrophobicContact CG-CD2 4.02Å; L637-Y641 HydrophobicContact CG-CE2 3.88Å; L637-Y641 VanDerWaalsContact O-CD2 3.28Å; L637-Y641 WeakPolarHBondContact O-CD2 3.36Å; L637-Y641 PolarHBondContact O-N 3.47Å; V638-Y641 PolarHBondContact O-N 2.82Å; Y641-F643 VanDerWaalsContact C-N 3.35Å; Y641-F643 PolarHBondContact O-N 3.15Å; Y641-S644 PolarHBondContact O-N 2.9Å; Y641-I645 WeakPolarHBondContact O-CB 3.24Å; Y641-I645 VanDerWaalsContact O-CG1 3.22Å; Y641-I645 WeakPolarHBondContact O-CG1 3.08Å; Y641-I645 PolarHBondContact O-N 2.83Å
642L86.9Confident81.9Confident82 Ų8248.4 Ų48.443%0.42926%0.263SS..Hα-helixtrans-61.8-44.4178.2-70.9174.5000111.5L625 V638 V639 I646L625-L642 HydrophobicContact CD1-CB 3.88Å; V638-L642 HydrophobicContact CG1-CD1 4Å; V638-L642 HydrophobicContact CG1-CG 4.43Å; V638-L642 WeakPolarHBondContact O-CG 3.44Å; V638-L642 PolarHBondContact O-N 3.06Å; V639-L642 PolarHBondContact O-N 2.88Å; L642-I646 WeakPolarHBondContact O-CD1 3.49Å; L642-I646 VanDerWaalsContact O-CG1 3.24Å; L642-I646 WeakPolarHBondContact O-CG1 3.42Å; L642-I646 PolarHBondContact O-N 2.96Å
643F86.4Confident83Confident38 Ų3847.3 Ų47.317%0.16725%0.249CC..Hα-helixtrans-58.3-51.3174.5174-96.4000111P622 W623 L625 I626 V639 Y641 I645 I646 T647P622-F643 WeakPolarHBondContact O-CD2 3.36Å; W623-F643 HydrophobicContact CD2-CE2 4.38Å; W623-F643 HydrophobicContact CE3-CE2 4.01Å; W623-F643 HydrophobicContact CE3-CZ 4.17Å; W623-F643 HydrophobicContact CZ3-CZ 4.27Å; L625-F643 HydrophobicContact CB-CB 4.13Å; L625-F643 HydrophobicContact CB-CD2 4.38Å; L625-F643 HydrophobicContact CD1-CB 4.42Å; I626-F643 HydrophobicContact CB-CD2 4.48Å; I626-F643 HydrophobicContact CB-CE2 4.2Å; I626-F643 HydrophobicContact CD1-CE2 4.38Å; I626-F643 HydrophobicContact CD1-CZ 4.12Å; V639-F643 VanDerWaalsContact O-CB 3.25Å; V639-F643 WeakPolarHBondContact O-CB 3.29Å; V639-F643 PolarHBondContact O-N 2.79Å; Y641-F643 VanDerWaalsContact C-N 3.35Å; Y641-F643 PolarHBondContact O-N 3.15Å; F643-I645 PolarHBondContact O-N 2.82Å; F643-I646 PolarHBondContact O-N 2.83Å; F643-T647 HydrophobicContact CD2-CG2 3.86Å; F643-T647 HydrophobicContact CE1-CG2 4.29Å; F643-T647 HydrophobicContact CE2-CG2 3.58Å; F643-T647 HydrophobicContact CG-CG2 4.34Å; F643-T647 HydrophobicContact CZ-CG2 3.8Å; F643-T647 WeakPolarHBondContact O-CB 3.43Å; F643-T647 VanDerWaalsContact O-CG2 3.32Å; F643-T647 WeakPolarHBondContact O-CG2 3.48Å; F643-T647 PolarHBondContact O-N 3.33Å; F643-T647 PolarHBondContact O-OG1 3.32Å
644S86.6Confident83.7Confident6 Ų646 Ų464%0.04223%0.234CC..Hα-helixtrans-61.1-45.8-179.1179.10000112.1S407 L640 Y641 I646 T647 S648S407-S644 PolarHBondContact OG-OG 3.34Å; L640-S644 VanDerWaalsContact O-CB 3.28Å; L640-S644 WeakPolarHBondContact O-CB 3.47Å; L640-S644 PolarHBondContact O-N 2.92Å; Y641-S644 PolarHBondContact O-N 2.9Å; S644-I646 PolarHBondContact O-N 2.85Å; S644-T647 PolarHBondContact O-OG1 2.94Å; S644-S648 WeakPolarHBondContact O-CB 3.47Å; S644-S648 PolarHBondContact O-N 3.46Å; S644-S648 PolarHBondContact O-OG 2.95Å
645I87.5Confident84.1Confident76 Ų7642.9 Ų42.939%0.3921%0.211SC..Hα-helixtrans-60.1-50177.8-67.7165.8000110.6L406 Y641 F643 S648 F649L406-I645 HydrophobicContact CD1-CG1 4.48Å; L406-I645 HydrophobicContact CD2-CD1 4.37Å; L406-I645 HydrophobicContact CD2-CG1 3.6Å; L406-I645 HydrophobicContact CG-CG1 4.38Å; Y641-I645 WeakPolarHBondContact O-CB 3.24Å; Y641-I645 VanDerWaalsContact O-CG1 3.22Å; Y641-I645 WeakPolarHBondContact O-CG1 3.08Å; Y641-I645 PolarHBondContact O-N 2.83Å; F643-I645 PolarHBondContact O-N 2.82Å; I645-S648 PolarHBondContact O-OG 3.24Å; I645-F649 WeakPolarHBondContact O-CB 3.45Å; I645-F649 VanDerWaalsContact O-CD2 3.28Å; I645-F649 WeakPolarHBondContact O-CD2 2.96Å; I645-F649 PolarHBondContact O-N 2.96Å
646I84.9Confident84.4Confident47 Ų4741.4 Ų41.424%0.24121%0.207CC..Hα-helixtrans-72.9-38.4-172.7-58.6162.5000111.5P622 L625 L642 F643 S644 Q650 L653P622-I646 HydrophobicContact CB-CB 3.79Å; P622-I646 HydrophobicContact CB-CD1 4.06Å; P622-I646 HydrophobicContact CB-CG2 3.32Å; P622-I646 HydrophobicContact CG-CB 4.19Å; P622-I646 HydrophobicContact CG-CD1 4.26Å; P622-I646 HydrophobicContact CG-CG2 3.25Å; L625-I646 HydrophobicContact CD1-CD1 4.23Å; L642-I646 WeakPolarHBondContact O-CD1 3.49Å; L642-I646 VanDerWaalsContact O-CG1 3.24Å; L642-I646 WeakPolarHBondContact O-CG1 3.42Å; L642-I646 PolarHBondContact O-N 2.96Å; F643-I646 PolarHBondContact O-N 2.83Å; S644-I646 PolarHBondContact O-N 2.85Å; I646-Q650 WeakPolarHBondContact O-CA 3.5Å; I646-Q650 PolarHBondContact O-N 3.47Å; I646-Q650 VanDerWaalsContact O-N 3.16Å; I646-L653 HydrophobicContact CG2-CD1 4.12Å
647T84.9Confident84.4Confident24 Ų2442 Ų4215%0.14721%0.208CC..Hα-helixtrans-73.3-44.4-179.554.70000112.2W623 F643 S644 F649 Q650W623-T647 HydrophobicContact CD2-CG2 4.15Å; W623-T647 HydrophobicContact CZ2-CG2 4.14Å; F643-T647 HydrophobicContact CD2-CG2 3.86Å; F643-T647 HydrophobicContact CE1-CG2 4.29Å; F643-T647 HydrophobicContact CE2-CG2 3.58Å; F643-T647 HydrophobicContact CG-CG2 4.34Å; F643-T647 HydrophobicContact CZ-CG2 3.8Å; F643-T647 WeakPolarHBondContact O-CB 3.43Å; F643-T647 VanDerWaalsContact O-CG2 3.32Å; F643-T647 WeakPolarHBondContact O-CG2 3.48Å; F643-T647 PolarHBondContact O-N 3.33Å; F643-T647 PolarHBondContact O-OG1 3.32Å; S644-T647 PolarHBondContact O-OG1 2.94Å; T647-F649 VanDerWaalsContact C-N 3.31Å; T647-F649 PolarHBondContact O-N 3.27Å; T647-Q650 WeakPolarHBondContact O-CB 3.12Å; T647-Q650 PolarHBondContact O-N 3.07Å; T647-Q650 VanDerWaalsContact O-N 3.15Å
648S88.1Confident84.2Confident2 Ų240.9 Ų40.91%0.01420%0.201CC..Hα-helixtrans-67-30.8179640000112.9G410 C411 S414 S644 I645G410-S648 CarbonylContact C-O 3.59Å; C411-S648 PolarHBondContact N-O 3.41Å; S414-S648 VanDerWaalsContact CB-O 3.24Å; S414-S648 WeakPolarHBondContact CB-O 3.17Å; S644-S648 WeakPolarHBondContact O-CB 3.47Å; S644-S648 PolarHBondContact O-N 3.46Å; S644-S648 PolarHBondContact O-OG 2.95Å; I645-S648 PolarHBondContact O-OG 3.24Å
649F88.1Confident83.8Confident48 Ų4842.3 Ų42.321%0.21120%0.198CC..THydrogen-bonded Turntrans-95.313.1174.7-71.5-91.2000113.5L406 V413 I645 T647 G651 F652 L653L406-F649 HydrophobicContact CD1-CE2 4.32Å; V413-F649 HydrophobicContact CB-CE1 4.11Å; V413-F649 HydrophobicContact CG1-CD1 4.24Å; V413-F649 HydrophobicContact CG1-CE1 4.04Å; V413-F649 HydrophobicContact CG2-CE1 4.41Å; I645-F649 WeakPolarHBondContact O-CB 3.45Å; I645-F649 VanDerWaalsContact O-CD2 3.28Å; I645-F649 WeakPolarHBondContact O-CD2 2.96Å; I645-F649 PolarHBondContact O-N 2.96Å; T647-F649 VanDerWaalsContact C-N 3.31Å; T647-F649 PolarHBondContact O-N 3.27Å; F649-G651 PolarHBondContact O-N 2.93Å; F649-F652 HydrophobicContact CD1-CB 4.38Å; F649-F652 HydrophobicContact CD1-CD1 4.19Å; F649-F652 WeakPolarHBondContact O-CB 3.26Å; F649-F652 PolarHBondContact O-N 2.96Å; F649-F652 VanDerWaalsContact O-N 3.08Å; F649-L653 WeakPolarHBondContact O-CG 3.39Å; F649-L653 PolarHBondContact O-N 3.41Å
650Q85.3Confident83.2Confident7 Ų744.3 Ų44.33%0.03321%0.212CC..Hα-helixtrans-56.8-47.3-173.7-178.6176.5-18.300112.5M493 I646 T647 F652 L653 I654M493-Q650 VanDerWaalsContact CE-NE2 3.29Å; I646-Q650 WeakPolarHBondContact O-CA 3.5Å; I646-Q650 PolarHBondContact O-N 3.47Å; I646-Q650 VanDerWaalsContact O-N 3.16Å; T647-Q650 WeakPolarHBondContact O-CB 3.12Å; T647-Q650 PolarHBondContact O-N 3.07Å; T647-Q650 VanDerWaalsContact O-N 3.15Å; Q650-F652 VanDerWaalsContact C-N 3.31Å; Q650-F652 PolarHBondContact O-N 3.12Å; Q650-L653 PolarHBondContact O-N 3.38Å; Q650-I654 HydrophobicContact CG-CD1 4.01Å; Q650-I654 VanDerWaalsContact O-CG1 3.28Å; Q650-I654 WeakPolarHBondContact O-CG1 3.4Å; Q650-I654 PolarHBondContact O-N 3.29Å
651G85.3Confident82.4Confident0 Ų045.6 Ų45.60%022%0.218CC..Hα-helixtrans-65-33.7178.200000113.2S414 F649 I654 F655S414-G651 VanDerWaalsContact OG-CA 3.23Å; S414-G651 WeakPolarHBondContact OG-CA 3.45Å; S414-G651 PolarHBondContact OG-N 3.49Å; S414-G651 VanDerWaalsContact OG-N 3.09Å; F649-G651 PolarHBondContact O-N 2.93Å; G651-I654 PolarHBondContact O-N 3.46Å; G651-F655 WeakPolarHBondContact O-CB 3.42Å; G651-F655 PolarHBondContact O-N 3.5Å
652F86.5Confident81.5Confident70 Ų7045.7 Ų45.731%0.30722%0.218SC..Hα-helixtrans-68.9-42.3175.2177.5-107.1000112.6V413 A417 F649 Q650 I654 F655 I656V413-F652 HydrophobicContact CG1-CB 4.36Å; V413-F652 HydrophobicContact CG1-CD2 4.08Å; V413-F652 HydrophobicContact CG1-CG 4.22Å; A417-F652 HydrophobicContact CB-CB 4.29Å; A417-F652 HydrophobicContact CB-CD2 4.11Å; F649-F652 HydrophobicContact CD1-CB 4.38Å; F649-F652 HydrophobicContact CD1-CD1 4.19Å; F649-F652 WeakPolarHBondContact O-CB 3.26Å; F649-F652 PolarHBondContact O-N 2.96Å; F649-F652 VanDerWaalsContact O-N 3.08Å; Q650-F652 VanDerWaalsContact C-N 3.31Å; Q650-F652 PolarHBondContact O-N 3.12Å; F652-I654 VanDerWaalsContact C-N 3.31Å; F652-I654 PolarHBondContact O-N 2.81Å; F652-F655 HydrophobicContact CD2-CD1 4.22Å; F652-F655 HydrophobicContact CE2-CD1 4.36Å; F652-F655 WeakPolarHBondContact O-CB 3.45Å; F652-F655 PolarHBondContact O-N 3.18Å; F652-I656 HydrophobicContact CD1-CD1 3.89Å; F652-I656 HydrophobicContact CE1-CD1 3.31Å; F652-I656 HydrophobicContact CE1-CG1 4.31Å; F652-I656 HydrophobicContact CE2-CD1 4.18Å; F652-I656 HydrophobicContact CE2-CG1 4.38Å; F652-I656 HydrophobicContact CZ-CD1 3.49Å; F652-I656 VanDerWaalsContact CZ-CD1 3.49Å; F652-I656 HydrophobicContact CZ-CG1 4.14Å; F652-I656 PolarHBondContact O-N 2.92Å
653L84.4Confident80.7Confident66 Ų6646 Ų4635%0.34622%0.219SC..Hα-helixtrans-62.4-41.3175-67.1175.5000111.3V618 I646 F649 Q650 F655 I656 W657V618-L653 HydrophobicContact CG1-CB 4.4Å; I646-L653 HydrophobicContact CG2-CD1 4.12Å; F649-L653 WeakPolarHBondContact O-CG 3.39Å; F649-L653 PolarHBondContact O-N 3.41Å; Q650-L653 PolarHBondContact O-N 3.38Å; L653-F655 VanDerWaalsContact C-N 3.35Å; L653-I656 PolarHBondContact O-N 3.49Å; L653-W657 PolarHBondContact O-N 2.69Å; L653-W657 VanDerWaalsContact O-N 3.17Å
654I79.5Confident79.7Confident6 Ų647.5 Ų47.53%0.03123%0.227CC..Hα-helixtrans-61.9-42.3173.8-70.5169.3000111.1H446 L449 L450 V618 L619 Q650 G651 F652 W657 Y658H446-I654 VanDerWaalsContact CE1-CG2 3.41Å; H446-I654 WeakPolarHBondContact CE1-CG2 3.11Å; H446-I654 WeakPolarHBondContact NE2-CG2 3.48Å; L449-I654 HydrophobicContact CD2-CD1 4.12Å; L450-I654 HydrophobicContact CD1-CG2 4.23Å; V618-I654 HydrophobicContact CG1-CG1 4.49Å; L619-I654 HydrophobicContact CD2-CD1 4.23Å; Q650-I654 HydrophobicContact CG-CD1 4.01Å; Q650-I654 VanDerWaalsContact O-CG1 3.28Å; Q650-I654 WeakPolarHBondContact O-CG1 3.4Å; Q650-I654 PolarHBondContact O-N 3.29Å; G651-I654 PolarHBondContact O-N 3.46Å; F652-I654 VanDerWaalsContact C-N 3.31Å; F652-I654 PolarHBondContact O-N 2.81Å; I654-W657 WeakPolarHBondContact O-CB 3.18Å; I654-W657 PolarHBondContact O-N 3.01Å; I654-Y658 PolarHBondContact O-N 3.13Å
655F80.7Confident78.6Confident49 Ų4950 Ų5022%0.21525%0.248CC..Hα-helixtrans-59.2-50.7176.6164.3-127000113A417 T421 G651 F652 L653 W657 Y658 W659A417-F655 HydrophobicContact CB-CB 4.06Å; A417-F655 HydrophobicContact CB-CD1 4.09Å; A417-F655 HydrophobicContact CB-CG 4.27Å; T421-F655 HydrophobicContact CG2-CB 3.9Å; T421-F655 HydrophobicContact CG2-CD2 3Å; T421-F655 HydrophobicContact CG2-CE2 3.67Å; T421-F655 HydrophobicContact CG2-CG 3.79Å; G651-F655 WeakPolarHBondContact O-CB 3.42Å; G651-F655 PolarHBondContact O-N 3.5Å; F652-F655 HydrophobicContact CD2-CD1 4.22Å; F652-F655 HydrophobicContact CE2-CD1 4.36Å; F652-F655 WeakPolarHBondContact O-CB 3.45Å; F652-F655 PolarHBondContact O-N 3.18Å; L653-F655 VanDerWaalsContact C-N 3.35Å; F655-W657 PolarHBondContact O-N 3.24Å; F655-Y658 PolarHBondContact O-N 3.03Å; F655-W659 HydrophobicContact CE2-CB 4.48Å; F655-W659 HydrophobicContact CE2-CE3 4.43Å; F655-W659 PolarHBondContact O-N 3.19Å
656I81.4Confident77.3Confident84 Ų8455.5 Ų55.543%0.43126%0.264SS..Hα-helixtrans-56.2-43.8178.4-70.1168.1000110.1F652 L653 W659 S660F652-I656 HydrophobicContact CD1-CD1 3.89Å; F652-I656 HydrophobicContact CE1-CD1 3.31Å; F652-I656 HydrophobicContact CE1-CG1 4.31Å; F652-I656 HydrophobicContact CE2-CD1 4.18Å; F652-I656 HydrophobicContact CE2-CG1 4.38Å; F652-I656 HydrophobicContact CZ-CD1 3.49Å; F652-I656 VanDerWaalsContact CZ-CD1 3.49Å; F652-I656 HydrophobicContact CZ-CG1 4.14Å; F652-I656 PolarHBondContact O-N 2.92Å; L653-I656 PolarHBondContact O-N 3.49Å; I656-W659 PolarHBondContact O-N 2.8Å; I656-S660 WeakPolarHBondContact O-CB 3.41Å; I656-S660 PolarHBondContact O-N 2.95Å
657W76.6Confident75.7Confident56 Ų5656.3 Ų56.321%0.21228%0.284CS..Hα-helixtrans-61.8-49177.9177.488.5000112.3H446 L615 L653 I654 F655 W659 S660 M661H446-W657 AromaticContact CE1-CE3 3.95Å; H446-W657 AromaticContact CE1-CZ3 3.77Å; H446-W657 AromaticContact NE2-CE3 3.76Å; H446-W657 AromaticContact NE2-CZ3 3.65Å; L615-W657 HydrophobicContact CD1-CD2 3.21Å; L615-W657 HydrophobicContact CD1-CE3 3.39Å; L615-W657 HydrophobicContact CD1-CG 3.85Å; L615-W657 HydrophobicContact CD1-CH2 3.56Å; L615-W657 HydrophobicContact CD1-CZ2 3.4Å; L615-W657 VanDerWaalsContact CD1-CZ2 3.4Å; L615-W657 HydrophobicContact CD1-CZ3 3.55Å; L653-W657 PolarHBondContact O-N 2.69Å; L653-W657 VanDerWaalsContact O-N 3.17Å; I654-W657 WeakPolarHBondContact O-CB 3.18Å; I654-W657 PolarHBondContact O-N 3.01Å; F655-W657 PolarHBondContact O-N 3.24Å; W657-W659 VanDerWaalsContact C-N 3.29Å; W657-W659 PolarHBondContact O-N 3.18Å; W657-S660 WeakPolarHBondContact O-CB 3.34Å; W657-S660 PolarHBondContact O-N 3.07Å; W657-M661 HydrophobicContact CD2-CG 4.13Å; W657-M661 HydrophobicContact CH2-CG 4.14Å; W657-M661 HydrophobicContact CZ2-CE 4.3Å; W657-M661 HydrophobicContact CZ2-CG 3.62Å; W657-M661 HydrophobicContact CZ2-SD 4.27Å; W657-M661 PolarHBondContact O-N 2.71Å
658Y74.7Confident73.7Confident17 Ų1757.2 Ų57.27%0.06730%0.298CS..Hα-helixtrans-58.3-43.2178.9177.1-98.4000111.6T421 M447 I654 F655 M661 R662T421-Y658 HydrophobicContact CG2-CD1 4.42Å; M447-Y658 HydrophobicContact CE-CD2 4.43Å; M447-Y658 HydrophobicContact CE-CE2 4.09Å; I654-Y658 PolarHBondContact O-N 3.13Å; F655-Y658 PolarHBondContact O-N 3.03Å; Y658-M661 PolarHBondContact O-N 2.77Å; Y658-R662 HydrophobicContact CD1-CG 4.29Å; Y658-R662 HydrophobicContact CE1-CG 3.85Å; Y658-R662 HydrophobicContact CE2-CG 4.39Å; Y658-R662 WeakPolarHBondContact O-CG 3.32Å; Y658-R662 PolarHBondContact O-N 2.9Å; Y658-R662 PolarHBondContact OH-NE 3.03Å; Y658-R662 PolarHBondContact OH-NH1 2.92Å
659W74.6Confident71.2Confident107 Ų10763.1 Ų63.141%0.40534%0.336SS..Hα-helixtrans-67-42.8178.6-161.4-104.9000111.9F655 I656 W657 M661 R662 L663F655-W659 HydrophobicContact CE2-CB 4.48Å; F655-W659 HydrophobicContact CE2-CE3 4.43Å; F655-W659 PolarHBondContact O-N 3.19Å; I656-W659 PolarHBondContact O-N 2.8Å; W657-W659 VanDerWaalsContact C-N 3.29Å; W657-W659 PolarHBondContact O-N 3.18Å; W659-M661 VanDerWaalsContact C-N 3.32Å; W659-M661 PolarHBondContact O-N 3.08Å; W659-R662 PolarHBondContact O-N 3.36Å; W659-R662 VanDerWaalsContact O-N 3.16Å; W659-L663 VanDerWaalsContact CD1-CD1 3.46Å; W659-L663 HydrophobicContact CG-CD1 4.49Å; W659-L663 WeakPolarHBondContact O-CB 3.24Å; W659-L663 WeakPolarHBondContact O-CG 3.49Å; W659-L663 PolarHBondContact O-N 3Å
660S71.7Confident68.5Low47 Ų4765.1 Ų65.133%0.32936%0.356SS..Hα-helixtrans-56.4-45.6173.8-179.60000111.6I656 W657 R662 L663 Q664I656-S660 WeakPolarHBondContact O-CB 3.41Å; I656-S660 PolarHBondContact O-N 2.95Å; W657-S660 WeakPolarHBondContact O-CB 3.34Å; W657-S660 PolarHBondContact O-N 3.07Å; S660-R662 PolarHBondContact O-N 3.22Å; S660-L663 PolarHBondContact O-N 2.94Å; S660-Q664 WeakPolarHBondContact O-CB 3.4Å; S660-Q664 VanDerWaalsContact O-CG 3.29Å; S660-Q664 WeakPolarHBondContact O-CG 3.43Å; S660-Q664 PolarHBondContact O-N 3.47Å; S660-Q664 PolarHBondContact OG-NE2 3.12Å; S660-Q664 VanDerWaalsContact OG-NE2 3.12Å
661M68.6Low66.5Low68 Ų6870.7 Ų70.734%0.33539%0.393SS..Hα-helixtrans-64.8-39176.6-73.9-67.4-72.900112.8T611 W657 Y658 W659 A665T611-M661 HydrophobicContact CG2-SD 4.26Å; W657-M661 HydrophobicContact CD2-CG 4.13Å; W657-M661 HydrophobicContact CH2-CG 4.14Å; W657-M661 HydrophobicContact CZ2-CE 4.3Å; W657-M661 HydrophobicContact CZ2-CG 3.62Å; W657-M661 HydrophobicContact CZ2-SD 4.27Å; W657-M661 PolarHBondContact O-N 2.71Å; Y658-M661 PolarHBondContact O-N 2.77Å; W659-M661 VanDerWaalsContact C-N 3.32Å; W659-M661 PolarHBondContact O-N 3.08Å; M661-A665 WeakPolarHBondContact O-CB 3.35Å; M661-A665 PolarHBondContact O-N 3.23Å
662R69.5Low64.1Low59 Ų5978.4 Ų78.422%0.22343%0.434CS..Hα-helixtrans-66-40.5174.9-75.8-118.2-89.6-153.1-8111.8A424 S428 Y658 W659 S660 A665 R666A424-R662 PolarHBondContact O-NH2 2.83Å; S428-R662 PolarHBondContact OG-NH1 3.09Å; Y658-R662 HydrophobicContact CD1-CG 4.29Å; Y658-R662 HydrophobicContact CE1-CG 3.85Å; Y658-R662 HydrophobicContact CE2-CG 4.39Å; Y658-R662 WeakPolarHBondContact O-CG 3.32Å; Y658-R662 PolarHBondContact O-N 2.9Å; Y658-R662 PolarHBondContact OH-NE 3.03Å; Y658-R662 PolarHBondContact OH-NH1 2.92Å; W659-R662 PolarHBondContact O-N 3.36Å; W659-R662 VanDerWaalsContact O-N 3.16Å; S660-R662 PolarHBondContact O-N 3.22Å; R662-A665 PolarHBondContact O-N 3.37Å; R662-R666 PolarHBondContact O-N 3.04Å; R662-R666 VanDerWaalsContact O-N 3.16Å
663L69.4Low61.4Low88 Ų8884.6 Ų84.646%0.46146%0.46SS..Hα-helixtrans-65.7-46.6175.8-71.7175.6000111.5W659 S660 A665 R666 G667W659-L663 VanDerWaalsContact CD1-CD1 3.46Å; W659-L663 HydrophobicContact CG-CD1 4.49Å; W659-L663 WeakPolarHBondContact O-CB 3.24Å; W659-L663 WeakPolarHBondContact O-CG 3.49Å; W659-L663 PolarHBondContact O-N 3Å; S660-L663 PolarHBondContact O-N 2.94Å; L663-A665 VanDerWaalsContact C-N 3.28Å; L663-A665 PolarHBondContact O-N 2.79Å; L663-R666 PolarHBondContact O-N 3.3Å; L663-G667 PolarHBondContact O-N 3.44Å
664Q66.2Low59Low71 Ų7186.8 Ų86.833%0.33248%0.481SS..Hα-helixtrans-59.1-39175.1-72.9176.945.600112.1S660 R666 G667 G668S660-Q664 WeakPolarHBondContact O-CB 3.4Å; S660-Q664 VanDerWaalsContact O-CG 3.29Å; S660-Q664 WeakPolarHBondContact O-CG 3.43Å; S660-Q664 PolarHBondContact O-N 3.47Å; S660-Q664 PolarHBondContact OG-NE2 3.12Å; S660-Q664 VanDerWaalsContact OG-NE2 3.12Å; Q664-R666 VanDerWaalsContact C-N 3.3Å; Q664-R666 PolarHBondContact O-N 3.44Å; Q664-G667 PolarHBondContact O-N 3.44Å; Q664-G668 PolarHBondContact O-N 3.43Å
665A62.3Low56.6Low58 Ų5894.2 Ų94.248%0.47952%0.521SS..Hα-helixtrans-68.8-25.1176.300000113.7M661 R662 L663M661-A665 WeakPolarHBondContact O-CB 3.35Å; M661-A665 PolarHBondContact O-N 3.23Å; R662-A665 PolarHBondContact O-N 3.37Å; L663-A665 VanDerWaalsContact C-N 3.28Å; L663-A665 PolarHBondContact O-N 2.79Å
666R61.2Low54.3Low191 Ų19197 Ų9772%0.72155%0.546SS*.Hα-helixtrans-84.8-33.2174.1-75.8179.2177.5174.5-1112.7R662 L663 Q664R662-R666 PolarHBondContact O-N 3.04Å; R662-R666 VanDerWaalsContact O-N 3.16Å; L663-R666 PolarHBondContact O-N 3.3Å; Q664-R666 VanDerWaalsContact C-N 3.3Å; Q664-R666 PolarHBondContact O-N 3.44Å
667G50.5Low52.1Low65 Ų65100.7 Ų100.767%0.6757%0.567SS**Hα-helixtrans-82.5-4.8178.900000115.1L663 Q664L663-G667 PolarHBondContact O-N 3.44Å; Q664-G667 PolarHBondContact O-N 3.44Å
668G43Very low50Low43 Ų43103.6 Ų103.644%0.44360%0.596SS.*SBendtrans-63.1127.7172.200000110.5Q664 S670Q664-G668 PolarHBondContact O-N 3.43Å; G668-S670 PolarHBondContact O-N 3.04Å
669P36.3Very low48.3Very low125 Ų125107.5 Ų107.581%0.81263%0.632SS**  trans-59.8123.5-172.321.5-31.4000110.8P671P669-P671 VanDerWaalsContact O-CD 3.29Å; P669-P671 WeakPolarHBondContact O-CD 3.4Å
670S30.2Very low46.2Very low90 Ų90113.1 Ų113.163%0.62965%0.653SS**  trans-73.9111.6160.450.10000108.2G668 L672G668-S670 PolarHBondContact O-N 3.04Å; S670-L672 PolarHBondContact O-N 3.04Å
671P43.1Very low44.1Very low124 Ų124117.5 Ų117.581%0.80567%0.672SS**SBendtrans-79.429.3-179.329.5-25.3000113P669P669-P671 VanDerWaalsContact O-CD 3.29Å; P669-P671 WeakPolarHBondContact O-CD 3.4Å
672L36.6Very low42.6Very low163 Ų163120.2 Ų120.285%0.85370%0.695SS**SBendtrans-146.659.3174.7-89.8116.8000110.6S670S670-L672 PolarHBondContact O-N 3.04Å
673K30Very low40.8Very low199 Ų199124.2 Ų124.287%0.86572%0.719SS**  trans-153.254155.9-127.8178.8-175.7-176.90111
674S32.1Very low39.2Very low113 Ų113125.5 Ų125.579%0.7974%0.735SS**  trans-136.352.1156.973.90000109.5
675N29.4Very low37.7Very low161 Ų161127 Ų12786%0.86175%0.754SS**  trans-102.193.4152.5-93.48.5000105.4
676S33Very low36.3Very low107 Ų107127.6 Ų127.675%0.74877%0.765SS**  trans170.373.8155.4-71.90000106.4
677D34.9Very low35.2Very low163 Ų163124.2 Ų124.287%0.87277%0.771SS**  -154.9106.6127.7-94.7-23.9000108.1A679D677-A679 PolarHBondContact O-N 3.49Å
678S33.3Very low34.5Very low117 Ų117128.1 Ų128.182%0.81878%0.782SS**  trans-50.182.7166-66.80000110.8R680S678-R680 VanDerWaalsContact C-N 3.3Å; S678-R680 PolarHBondContact O-N 3.19Å; S678-R680 VanDerWaalsContact O-N 3.16Å
679A37.6Very low34Very low99 Ų99131.3 Ų131.382%0.81880%0.798SS**  trans-7893.8152.800000107D677 L681D677-A679 PolarHBondContact O-N 3.49Å; A679-L681 PolarHBondContact O-N 3.08Å
680R31.7Very low33.8Very low224 Ų224130.3 Ų130.385%0.84579%0.794SS**  trans-38.9128.5173.3-69.6168.7169.6159.1-4.2112.3S678S678-R680 VanDerWaalsContact C-N 3.3Å; S678-R680 PolarHBondContact O-N 3.19Å; S678-R680 VanDerWaalsContact O-N 3.16Å
681L27.8Very low34.1Very low139 Ų139131.3 Ų131.373%0.72880%0.801SS**  trans22.5125.8137.1-68156.5000117.5A679 I683A679-L681 PolarHBondContact O-N 3.08Å; L681-I683 HydrophobicContact CB-CG1 4.46Å; L681-I683 HydrophobicContact CD2-CG1 4.02Å
682P35.8Very low33.7Very low126 Ų126136.2 Ų136.282%0.81880%0.803SS**  -107.1110.712726.6-16000108.6S684P682-S684 PolarHBondContact O-N 3.13Å
683I32.7Very low33.9Very low143 Ų143140 Ų14073%0.73382%0.822SS**  trans-6499.4162.3-62.5168.4000105.7L681L681-I683 HydrophobicContact CB-CG1 4.46Å; L681-I683 HydrophobicContact CD2-CG1 4.02Å
684S35.2Very low34.1Very low114 Ų114137.1 Ų137.180%0.79782%0.82SS**  trans-90.2106.9161.2-170.30000107.4P682P682-S684 PolarHBondContact O-N 3.13Å
685S34.8Very low34.2Very low103 Ų103138.4 Ų138.472%0.7282%0.821SS**  trans-52.6124.6174.146.60000112.5
686G33.5Very low34.4Very low70 Ų70137.1 Ų137.172%0.72282%0.819SS**  trans24.3124.3141.300000120
687S37.1Very low34.5Very low120 Ų120138.9 Ų138.984%0.83982%0.823SS**  179.694.4101.741.30000108.9S689S687-S689 PolarHBondContact O-N 2.94Å; S687-S689 VanDerWaalsContact O-N 3.13Å
688T36.6Very low34.5Very low147 Ų147137.4 Ų137.490%0.90282%0.82SS**  trans-69.7104.1159.333.60000108.3
689S32.8Very low34.6Very low111 Ų111138.7 Ų138.778%0.77682%0.82SS**  trans-33.7136.9140.31580000111.5S687S687-S689 PolarHBondContact O-N 2.94Å; S687-S689 VanDerWaalsContact O-N 3.13Å
690S31.8Very low34.3Very low104 Ų104141.6 Ų141.673%0.72782%0.821SS**  trans127.693.6148.2-1620000114.6
691S36.5Very low34.5Very low111 Ų111135.2 Ų135.278%0.77682%0.819SS**  trans-152.997.4139.2570000105.7
692R33.4Very low35.1Very low226 Ų226134.9 Ų134.985%0.85383%0.826SS**  55.6103.795.9-77.8-168.1-168.8178.64.2112.8
693I40.9Very low35Very low244 Ų244135.7 Ų135.7100%1.25183%0.827SS**  trans66.10152.5-54.3175.4000115.5

Retrieved 693 of 693 residues in 1812.5 ms (Link to these results)