A0A096NLB6_PAPAN Loading...

Tigger transposable element derived 7

AlphaFold DB , UniProt , Accession A0A096NLB6, Species PAPAN (Papio anubis, Olive baboon), Gene TIGD7, Length 549 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
1M33.7Very low49.7Very low245 Ų245133.2 Ų133.2100%1.20764%0.643SS**  0123.30-77.2172.6155.900109.3K3M1-K3 PolarHBondContact O-N 3.13Å
2N31.4Very low51.2Low163 Ų163123.4 Ų123.487%0.87260%0.597SS**  trans-67.4122.6177-82.1-16.4000110.7R4N2-R4 PolarHBondContact O-N 3.48Å
3K36.6Very low52.5Low210 Ų210120.2 Ų120.291%0.91358%0.58SS**  trans-60.2104.9168-72-180177.6177.10108M1 G5M1-K3 PolarHBondContact O-N 3.13Å; K3-G5 PolarHBondContact O-N 3.16Å
4R40.3Very low54.2Low248 Ų248116.4 Ų116.494%0.93656%0.561SS**  trans-61110.3171.2-80.3-178.1171.8169.3-1.7107.7N2N2-R4 PolarHBondContact O-N 3.48Å
5G47.1Very low55.9Low63 Ų63110.4 Ų110.465%0.64953%0.531SS*.  trans-56.5149.7177.700000111.6K3 Y7K3-G5 PolarHBondContact O-N 3.16Å; G5-Y7 PolarHBondContact O-N 3.33Å; G5-Y7 VanDerWaalsContact O-N 3.16Å
6K46.2Very low57.2Low208 Ų208106.8 Ų106.890%0.90451%0.514SS*.  trans-53.1120.5178.4-141.5175.1-174179.30108.5T8K6-T8 PolarHBondContact O-N 3.48Å
7Y52.5Low58.6Low177 Ų177106.4 Ų106.469%0.69451%0.509SS*.  trans-77.586.3-170.3-169.1-96.4000111.1G5 T9G5-Y7 PolarHBondContact O-N 3.33Å; G5-Y7 VanDerWaalsContact O-N 3.16Å; Y7-T9 VanDerWaalsContact CD1-OG1 3.28Å; Y7-T9 WeakPolarHBondContact CD1-OG1 3.44Å; Y7-T9 PolarHBondContact O-N 2.8Å; Y7-T9 PolarHBondContact O-OG1 3.39Å
8T58.5Low59.9Low67 Ų67100.4 Ų100.441%0.41148%0.481SS..  trans-62.2105.8178-40.50000109.9K6 L10 G36K6-T8 PolarHBondContact O-N 3.48Å; T8-L10 HydrophobicContact CG2-CD2 4.33Å; T8-G36 WeakPolarHBondContact CB-O 3.29Å; T8-G36 PolarHBondContact OG1-O 3.21Å
9T60.4Low61.1Low52 Ų5295.5 Ų95.532%0.31946%0.458SS..  trans-100.6102179.6-49.70000109.5Y7 K70Y7-T9 VanDerWaalsContact CD1-OG1 3.28Å; Y7-T9 WeakPolarHBondContact CD1-OG1 3.44Å; Y7-T9 PolarHBondContact O-N 2.8Å; Y7-T9 PolarHBondContact O-OG1 3.39Å; T9-K70 HydrophobicContact CG2-CB 3.8Å; T9-K70 HydrophobicContact CG2-CD 3.86Å; T9-K70 HydrophobicContact CG2-CG 4.07Å; T9-K70 WeakPolarHBondContact O-CD 3.46Å; T9-K70 WeakPolarHBondContact O-CE 3.46Å; T9-K70 PolarHBondContact O-NZ 2.87Å; T9-K70 VanDerWaalsContact O-NZ 3.12Å
10L70.6Confident62.2Low7 Ų793.8 Ų93.84%0.03746%0.456CS..  trans-65.5144.7178.7-61.4-172.7000112.5T8 E14 K15 V18 F35 I37 I45T8-L10 HydrophobicContact CG2-CD2 4.33Å; L10-E14 WeakPolarHBondContact CA-OE2 3.34Å; L10-E14 HydrophobicContact CB-CB 3.96Å; L10-E14 HydrophobicContact CD1-CB 4.29Å; L10-E14 HydrophobicContact CD2-CB 4.1Å; L10-E14 HydrophobicContact CD2-CG 4.5Å; L10-E14 HydrophobicContact CG-CB 4.34Å; L10-K15 HydrophobicContact CB-CG 4.02Å; L10-K15 WeakPolarHBondContact O-CE 3.49Å; L10-K15 PolarHBondContact O-NZ 2.99Å; L10-V18 HydrophobicContact CD1-CG2 3.82Å; L10-F35 HydrophobicContact CD1-CB 4.4Å; L10-I37 HydrophobicContact CD1-CD1 4.38Å; L10-I37 HydrophobicContact CD1-CG2 3.6Å; L10-I37 HydrophobicContact CD2-CG2 3.94Å; L10-I37 HydrophobicContact CG-CG2 3.7Å; L10-I45 HydrophobicContact CD1-CD1 3.95Å
11N69.8Low63.2Low25 Ų2593.2 Ų93.213%0.13445%0.449CS..  trans-77.9-175172.683.125.4000110.9E13 E14 K15 E67 R69N11-E13 WeakPolarHBondContact OD1-CA 3.4Å; N11-E13 WeakPolarHBondContact OD1-CB 3.27Å; N11-E13 PolarHBondContact OD1-N 2.98Å; N11-E14 VanDerWaalsContact CG-OE2 3.31Å; N11-E14 PolarHBondContact N-OE2 2.94Å; N11-E14 WeakPolarHBondContact OD1-CB 3.42Å; N11-E14 WeakPolarHBondContact OD1-CG 3.18Å; N11-E14 PolarHBondContact OD1-N 3.07Å; N11-K15 VanDerWaalsContact O-CD 3.31Å; N11-K15 WeakPolarHBondContact O-CD 3.4Å; N11-K15 WeakPolarHBondContact O-CG 3.42Å; N11-K15 PolarHBondContact O-N 3.28Å; N11-E67 WeakPolarHBondContact CB-O 3.23Å; N11-E67 PolarHBondContact OD1-O 2.87Å; N11-R69 CarbonylContact C-O 3.51Å
12L66.9Low65.6Low16 Ų1683 Ų838%0.08440%0.399CS..Hα-helixtrans-76.5-38.7-174.6-170.763.1000112.1K15 M16 I52 F55 V56 E67 R69L12-K15 PolarHBondContact O-N 3.11Å; L12-M16 WeakPolarHBondContact O-CG 3.39Å; L12-M16 PolarHBondContact O-N 3.38Å; L12-I52 HydrophobicContact CD1-CG2 4.02Å; L12-F55 HydrophobicContact CD2-CD1 3.97Å; L12-F55 HydrophobicContact CD2-CE1 4.13Å; L12-V56 HydrophobicContact CD2-CG2 4.05Å; L12-V56 HydrophobicContact CG-CG2 4.36Å; L12-E67 PolarHBondContact N-O 2.97Å; L12-R69 PolarHBondContact N-O 3.48Å
13E68.4Low67.9Low81 Ų8180.6 Ų80.638%0.37938%0.383SS..Hα-helixtrans-67.1-44.4178.3-167.2-152.2164.300111.7N11 K15 M16 K17N11-E13 WeakPolarHBondContact OD1-CA 3.4Å; N11-E13 WeakPolarHBondContact OD1-CB 3.27Å; N11-E13 PolarHBondContact OD1-N 2.98Å; E13-K15 VanDerWaalsContact C-N 3.29Å; E13-K15 PolarHBondContact O-N 2.97Å; E13-M16 WeakPolarHBondContact O-CB 3.41Å; E13-M16 PolarHBondContact O-N 2.84Å; E13-M16 VanDerWaalsContact O-N 3.16Å; E13-K17 WeakPolarHBondContact O-CG 3.35Å; E13-K17 PolarHBondContact O-N 2.99Å; E13-K17 WeakPolarHBondContact OE1-CE 3.41Å; E13-K17 IonicContact OE1-NZ 3.73Å; E13-K17 PolarHBondContact OE1-NZ 3.33Å
14E76.3Confident70Confident67 Ų6774.2 Ų74.231%0.31337%0.369SS..Hα-helixtrans-60-38.5173.7-70.5168.2155.400111.4L10 N11 K17 V18L10-E14 WeakPolarHBondContact CA-OE2 3.34Å; L10-E14 HydrophobicContact CB-CB 3.96Å; L10-E14 HydrophobicContact CD1-CB 4.29Å; L10-E14 HydrophobicContact CD2-CB 4.1Å; L10-E14 HydrophobicContact CD2-CG 4.5Å; L10-E14 HydrophobicContact CG-CB 4.34Å; N11-E14 VanDerWaalsContact CG-OE2 3.31Å; N11-E14 PolarHBondContact N-OE2 2.94Å; N11-E14 WeakPolarHBondContact OD1-CB 3.42Å; N11-E14 WeakPolarHBondContact OD1-CG 3.18Å; N11-E14 PolarHBondContact OD1-N 3.07Å; E14-K17 PolarHBondContact O-N 2.79Å; E14-V18 WeakPolarHBondContact O-CG2 3.39Å; E14-V18 PolarHBondContact O-N 2.54Å
15K79.8Confident71.8Confident27 Ų2765.5 Ų65.512%0.11736%0.356CS..Hα-helixtrans-68.4-38.4174.3-73.7168.6-170.8155.40112.6L10 N11 L12 E13 V18 L19 I45 K70L10-K15 HydrophobicContact CB-CG 4.02Å; L10-K15 WeakPolarHBondContact O-CE 3.49Å; L10-K15 PolarHBondContact O-NZ 2.99Å; N11-K15 VanDerWaalsContact O-CD 3.31Å; N11-K15 WeakPolarHBondContact O-CD 3.4Å; N11-K15 WeakPolarHBondContact O-CG 3.42Å; N11-K15 PolarHBondContact O-N 3.28Å; L12-K15 PolarHBondContact O-N 3.11Å; E13-K15 VanDerWaalsContact C-N 3.29Å; E13-K15 PolarHBondContact O-N 2.97Å; K15-V18 PolarHBondContact O-N 3.1Å; K15-L19 WeakPolarHBondContact O-CG 3.29Å; K15-L19 PolarHBondContact O-N 3.19Å; K15-I45 HydrophobicContact CB-CG2 4.39Å; K15-I45 HydrophobicContact CD-CG1 4.48Å; K15-I45 HydrophobicContact CG-CD1 3.89Å; K15-I45 HydrophobicContact CG-CG1 4.05Å; K15-K70 PolarHBondContact NZ-O 3Å
16M76.7Confident73.7Confident53 Ų5368 Ų6826%0.26135%0.346SS..Hα-helixtrans-62-47172.5-74.8-65.3-6800110.7L12 E13 V18 L19 S20 I52 L53 V56L12-M16 WeakPolarHBondContact O-CG 3.39Å; L12-M16 PolarHBondContact O-N 3.38Å; E13-M16 WeakPolarHBondContact O-CB 3.41Å; E13-M16 PolarHBondContact O-N 2.84Å; E13-M16 VanDerWaalsContact O-N 3.16Å; M16-V18 PolarHBondContact O-N 3.49Å; M16-L19 WeakPolarHBondContact O-CB 3.27Å; M16-L19 PolarHBondContact O-N 3.19Å; M16-L19 VanDerWaalsContact O-N 3.11Å; M16-L19 HydrophobicContact SD-CD1 4.48Å; M16-S20 PolarHBondContact O-N 3.01Å; M16-S20 PolarHBondContact O-OG 2.84Å; M16-I52 HydrophobicContact CG-CG2 4.38Å; M16-I52 HydrophobicContact SD-CG2 3.82Å; M16-L53 HydrophobicContact CE-CD2 3.7Å; M16-L53 HydrophobicContact SD-CD2 3.87Å; M16-V56 HydrophobicContact CG-CG2 4.46Å; M16-V56 HydrophobicContact SD-CG2 4.32Å
17K81.3Confident75.4Confident99 Ų9961.6 Ų61.643%0.4333%0.328SS..Hα-helixtrans-57.5-45.2174.1-71.8168.7172.2171.30111.8E13 E14 L19 S20 R21 F35E13-K17 WeakPolarHBondContact O-CG 3.35Å; E13-K17 PolarHBondContact O-N 2.99Å; E13-K17 WeakPolarHBondContact OE1-CE 3.41Å; E13-K17 IonicContact OE1-NZ 3.73Å; E13-K17 PolarHBondContact OE1-NZ 3.33Å; E14-K17 PolarHBondContact O-N 2.79Å; K17-L19 PolarHBondContact O-N 2.72Å; K17-S20 PolarHBondContact O-N 3.4Å; K17-R21 WeakPolarHBondContact O-CG 3.43Å; K17-R21 PolarHBondContact O-N 2.87Å; K17-F35 HydrophobicContact CB-CE1 3.8Å; K17-F35 HydrophobicContact CB-CZ 3.81Å
18V82.3Confident76.9Confident0 Ų055.6 Ų55.60%031%0.307CS..Hα-helixtrans-58-46173.1165.80000111.6L10 E14 K15 M16 R21 I22 V31 F35 I37 I45L10-V18 HydrophobicContact CD1-CG2 3.82Å; E14-V18 WeakPolarHBondContact O-CG2 3.39Å; E14-V18 PolarHBondContact O-N 2.54Å; K15-V18 PolarHBondContact O-N 3.1Å; M16-V18 PolarHBondContact O-N 3.49Å; V18-R21 PolarHBondContact O-N 3.39Å; V18-I22 HydrophobicContact CG1-CD1 3.82Å; V18-I22 VanDerWaalsContact O-CG1 3.27Å; V18-I22 WeakPolarHBondContact O-CG1 3.3Å; V18-I22 PolarHBondContact O-N 2.92Å; V18-V31 HydrophobicContact CG1-CG1 4.07Å; V18-V31 HydrophobicContact CG2-CG1 4.34Å; V18-F35 HydrophobicContact CG2-CB 4.06Å; V18-F35 HydrophobicContact CG2-CD1 3.65Å; V18-F35 HydrophobicContact CG2-CD2 3.63Å; V18-F35 HydrophobicContact CG2-CE1 3.94Å; V18-F35 HydrophobicContact CG2-CE2 3.92Å; V18-F35 HydrophobicContact CG2-CG 3.48Å; V18-F35 VanDerWaalsContact CG2-CG 3.48Å; V18-F35 HydrophobicContact CG2-CZ 4.08Å; V18-I37 HydrophobicContact CG1-CD1 4.43Å; V18-I37 HydrophobicContact CG2-CD1 4.25Å; V18-I45 HydrophobicContact CG1-CD1 4.28Å; V18-I45 HydrophobicContact CG1-CG2 3.95Å
19L82.1Confident78Confident7 Ų759.6 Ų59.64%0.03732%0.319CS..Hα-helixtrans-61.6-45.2177.5-72.8171.2000111.9K15 M16 K17 R21 I22 E23 I45 K49 I52K15-L19 WeakPolarHBondContact O-CG 3.29Å; K15-L19 PolarHBondContact O-N 3.19Å; M16-L19 WeakPolarHBondContact O-CB 3.27Å; M16-L19 PolarHBondContact O-N 3.19Å; M16-L19 VanDerWaalsContact O-N 3.11Å; M16-L19 HydrophobicContact SD-CD1 4.48Å; K17-L19 PolarHBondContact O-N 2.72Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 3.13Å; L19-I22 WeakPolarHBondContact O-CB 3.31Å; L19-I22 PolarHBondContact O-N 3.38Å; L19-I22 VanDerWaalsContact O-N 3.1Å; L19-E23 WeakPolarHBondContact O-CG 3.32Å; L19-E23 PolarHBondContact O-N 3.05Å; L19-I45 HydrophobicContact CD2-CG2 3.9Å; L19-I45 HydrophobicContact CG-CG2 3.88Å; L19-K49 HydrophobicContact CD1-CB 4.43Å; L19-K49 HydrophobicContact CD1-CG 4.21Å; L19-K49 HydrophobicContact CD2-CB 3.8Å; L19-K49 HydrophobicContact CD2-CD 4.34Å; L19-K49 HydrophobicContact CD2-CG 3.89Å; L19-I52 HydrophobicContact CD1-CB 4.16Å; L19-I52 HydrophobicContact CD1-CD1 4.14Å; L19-I52 HydrophobicContact CD1-CG2 3.91Å
20S83.1Confident79.2Confident60 Ų6059 Ų5942%0.4232%0.316SS..Hα-helixtrans-62.2-36.3176.5-55.50000112.6M16 K17 E23 A24M16-S20 PolarHBondContact O-N 3.01Å; M16-S20 PolarHBondContact O-OG 2.84Å; K17-S20 PolarHBondContact O-N 3.4Å; S20-E23 PolarHBondContact O-N 3.12Å; S20-A24 WeakPolarHBondContact O-CB 3.34Å; S20-A24 PolarHBondContact O-N 3.44Å
21R83.1Confident79.9Confident83 Ų8358.6 Ų58.631%0.31332%0.315SS..Hα-helixtrans-70.6-31.1174.1-62-42.7-176.56813.6112.9K17 V18 L19 R26 V31 E34 F35K17-R21 WeakPolarHBondContact O-CG 3.43Å; K17-R21 PolarHBondContact O-N 2.87Å; V18-R21 PolarHBondContact O-N 3.39Å; L19-R21 VanDerWaalsContact C-N 3.32Å; L19-R21 PolarHBondContact O-N 3.13Å; R21-R26 HydrophobicContact CB-CB 4.42Å; R21-R26 HydrophobicContact CB-CG 4.23Å; R21-R26 VanDerWaalsContact O-CB 3.27Å; R21-R26 WeakPolarHBondContact O-CB 3.27Å; R21-R26 WeakPolarHBondContact O-CG 3.43Å; R21-R26 PolarHBondContact O-N 3.5Å; R21-R26 VanDerWaalsContact O-N 3.14Å; R21-V31 HydrophobicContact CB-CG2 4Å; R21-E34 IonicContact CZ-OE1 3.12Å; R21-E34 IonicContact CZ-OE2 2.77Å; R21-E34 IonicContact NH1-OE1 2.78Å; R21-E34 PolarHBondContact NH1-OE1 3.05Å; R21-E34 IonicContact NH1-OE2 2.61Å; R21-E34 PolarHBondContact NH1-OE2 3.11Å; R21-E34 IonicContact NH2-OE1 3.78Å; R21-E34 PolarHBondContact NH2-OE1 3.3Å; R21-F35 HydrophobicContact CG-CE2 4.19Å; R21-F35 HydrophobicContact CG-CZ 4.45Å
22I83.6Confident80.6Confident30 Ų3059.4 Ų59.415%0.15432%0.318CS..Hα-helixtrans-68.3-39.8171.9-67.8166.6000111.1V18 L19 G25 F42 K46V18-I22 HydrophobicContact CG1-CD1 3.82Å; V18-I22 VanDerWaalsContact O-CG1 3.27Å; V18-I22 WeakPolarHBondContact O-CG1 3.3Å; V18-I22 PolarHBondContact O-N 2.92Å; L19-I22 WeakPolarHBondContact O-CB 3.31Å; L19-I22 PolarHBondContact O-N 3.38Å; L19-I22 VanDerWaalsContact O-N 3.1Å; I22-G25 PolarHBondContact O-N 2.85Å; I22-F42 HydrophobicContact CD1-CD2 4.1Å; I22-F42 HydrophobicContact CD1-CE1 4.28Å; I22-F42 HydrophobicContact CD1-CE2 3.57Å; I22-F42 HydrophobicContact CD1-CZ 3.69Å; I22-F42 HydrophobicContact CG1-CD2 4.44Å; I22-F42 HydrophobicContact CG1-CE2 3.49Å; I22-F42 VanDerWaalsContact CG1-CE2 3.49Å; I22-F42 HydrophobicContact CG1-CZ 3.58Å; I22-K46 HydrophobicContact CD1-CB 4.25Å; I22-K46 HydrophobicContact CG2-CD 4.06Å; I22-K46 HydrophobicContact CG2-CG 4.39Å
23E79.9Confident81.4Confident113 Ų11364 Ų6453%0.52834%0.343SS..Hα-helixtrans-67.2-39175.8-70.7173149.500112.1L19 S20 G25 K49L19-E23 WeakPolarHBondContact O-CG 3.32Å; L19-E23 PolarHBondContact O-N 3.05Å; S20-E23 PolarHBondContact O-N 3.12Å; E23-G25 PolarHBondContact O-N 2.84Å; E23-K49 WeakPolarHBondContact OE1-CE 3.2Å; E23-K49 IonicContact OE1-NZ 3.39Å; E23-K49 PolarHBondContact OE1-NZ 3.25Å
24A80.8Confident82.1Confident75 Ų7564 Ų6462%0.6234%0.343SS*.THydrogen-bonded Turntrans-71.913.717300000114.4S20 R26S20-A24 WeakPolarHBondContact O-CB 3.34Å; S20-A24 PolarHBondContact O-N 3.44Å; A24-R26 VanDerWaalsContact C-N 3.28Å; A24-R26 PolarHBondContact O-N 3.41Å
25G79.6Confident82.3Confident65 Ų6562.5 Ų62.567%0.6734%0.335SS*.THydrogen-bonded Turntrans68.914.2173.400000116I22 E23I22-G25 PolarHBondContact O-N 2.85Å; E23-G25 PolarHBondContact O-N 2.84Å
26R85.1Confident82.4Confident115 Ų11563.3 Ų63.343%0.43435%0.352SS..  trans-63.3144.2-179.1-65.1-89.5-77.9-145.9-8.7111R21 A24 S30 V31 E34R21-R26 HydrophobicContact CB-CB 4.42Å; R21-R26 HydrophobicContact CB-CG 4.23Å; R21-R26 VanDerWaalsContact O-CB 3.27Å; R21-R26 WeakPolarHBondContact O-CB 3.27Å; R21-R26 WeakPolarHBondContact O-CG 3.43Å; R21-R26 PolarHBondContact O-N 3.5Å; R21-R26 VanDerWaalsContact O-N 3.14Å; A24-R26 VanDerWaalsContact C-N 3.28Å; A24-R26 PolarHBondContact O-N 3.41Å; R26-S30 PolarHBondContact NE-OG 2.94Å; R26-V31 HydrophobicContact CB-CG2 3.73Å; R26-E34 IonicContact CZ-OE2 2.99Å; R26-E34 IonicContact NH2-OE2 2.99Å; R26-E34 PolarHBondContact NH2-OE2 3.07Å
27S82.7Confident82.7Confident75 Ų7561.3 Ų61.352%0.52434%0.342SS..  trans-65.5146-178.473.50000112.1K29 S30 V31S27-K29 PolarHBondContact O-N 2.98Å; S27-S30 PolarHBondContact O-N 3.23Å; S27-S30 VanDerWaalsContact O-N 3.09Å; S27-S30 WeakPolarHBondContact OG-CB 3.29Å; S27-S30 PolarHBondContact OG-N 2.82Å; S27-V31 PolarHBondContact O-N 2.93Å; S27-V31 VanDerWaalsContact O-N 3.12Å
28L83.4Confident82.8Confident50 Ų5059.1 Ų59.126%0.26234%0.339SS..Hα-helixtrans-49.4-45.1179.5171.865.1000112.2V31 M32 K39 F42 Y43L28-V31 PolarHBondContact O-N 3.37Å; L28-M32 HydrophobicContact CD1-CG 4.12Å; L28-M32 HydrophobicContact CD1-SD 3.74Å; L28-M32 HydrophobicContact CD2-SD 4.46Å; L28-M32 HydrophobicContact CG-SD 3.85Å; L28-M32 WeakPolarHBondContact O-CB 3.31Å; L28-M32 VanDerWaalsContact O-CG 3.31Å; L28-M32 WeakPolarHBondContact O-CG 3.39Å; L28-M32 PolarHBondContact O-N 2.74Å; L28-K39 HydrophobicContact CD2-CD 4.28Å; L28-K39 HydrophobicContact CD2-CG 4.29Å; L28-F42 HydrophobicContact CD1-CB 4.18Å; L28-F42 HydrophobicContact CD1-CD1 3.31Å; L28-F42 HydrophobicContact CD1-CD2 3.84Å; L28-F42 HydrophobicContact CD1-CE1 3.47Å; L28-F42 VanDerWaalsContact CD1-CE1 3.47Å; L28-F42 HydrophobicContact CD1-CE2 3.95Å; L28-F42 HydrophobicContact CD1-CG 3.51Å; L28-F42 HydrophobicContact CD1-CZ 3.77Å; L28-Y43 HydrophobicContact CD2-CE2 4.43Å
29K82.9Confident82.8Confident152 Ų15265 Ų6566%0.66136%0.364SS*.Hα-helixtrans-64.5-46.8-179.4-173.4173.3179.6-175.80111.5S27 V31 M32 D33S27-K29 PolarHBondContact O-N 2.98Å; K29-V31 VanDerWaalsContact C-N 3.33Å; K29-V31 PolarHBondContact O-N 2.89Å; K29-M32 PolarHBondContact O-N 3.47Å; K29-D33 WeakPolarHBondContact CG-OD2 3.14Å; K29-D33 WeakPolarHBondContact O-CB 3.38Å; K29-D33 VanDerWaalsContact O-CG 3.23Å; K29-D33 PolarHBondContact O-N 2.92Å
30S86.1Confident82.5Confident38 Ų3868 Ų6827%0.26639%0.386SS..Hα-helixtrans-57.2-43.4177170.30000112.4R26 S27 E34R26-S30 PolarHBondContact NE-OG 2.94Å; S27-S30 PolarHBondContact O-N 3.23Å; S27-S30 VanDerWaalsContact O-N 3.09Å; S27-S30 WeakPolarHBondContact OG-CB 3.29Å; S27-S30 PolarHBondContact OG-N 2.82Å; S30-E34 WeakPolarHBondContact O-CB 3.47Å; S30-E34 PolarHBondContact O-N 3.42Å
31V84.3Confident82.3Confident0 Ų066.1 Ų66.10%037%0.372CS..Hα-helixtrans-74.1-33.2179.7-176.20000112V18 R21 R26 S27 L28 K29 F35 F42V18-V31 HydrophobicContact CG1-CG1 4.07Å; V18-V31 HydrophobicContact CG2-CG1 4.34Å; R21-V31 HydrophobicContact CB-CG2 4Å; R26-V31 HydrophobicContact CB-CG2 3.73Å; S27-V31 PolarHBondContact O-N 2.93Å; S27-V31 VanDerWaalsContact O-N 3.12Å; L28-V31 PolarHBondContact O-N 3.37Å; K29-V31 VanDerWaalsContact C-N 3.33Å; K29-V31 PolarHBondContact O-N 2.89Å; V31-F35 HydrophobicContact CG1-CD2 3.97Å; V31-F35 HydrophobicContact CG1-CE2 4.28Å; V31-F35 WeakPolarHBondContact O-CD2 3.4Å; V31-F35 PolarHBondContact O-N 3.27Å; V31-F42 HydrophobicContact CB-CD2 4.17Å; V31-F42 HydrophobicContact CB-CE2 3.83Å; V31-F42 HydrophobicContact CG1-CD2 3.91Å; V31-F42 HydrophobicContact CG1-CE2 3.8Å; V31-F42 HydrophobicContact CG2-CE2 4.33Å
32M85.3Confident82.4Confident42 Ų4262.7 Ų62.721%0.20736%0.36CS..Hα-helixtrans-65.7-44.4173.8-77.7177.151.200112.2L28 K29 G36 I37 K39 F42L28-M32 HydrophobicContact CD1-CG 4.12Å; L28-M32 HydrophobicContact CD1-SD 3.74Å; L28-M32 HydrophobicContact CD2-SD 4.46Å; L28-M32 HydrophobicContact CG-SD 3.85Å; L28-M32 WeakPolarHBondContact O-CB 3.31Å; L28-M32 VanDerWaalsContact O-CG 3.31Å; L28-M32 WeakPolarHBondContact O-CG 3.39Å; L28-M32 PolarHBondContact O-N 2.74Å; K29-M32 PolarHBondContact O-N 3.47Å; M32-G36 WeakPolarHBondContact O-CA 3.39Å; M32-G36 PolarHBondContact O-N 3.16Å; M32-I37 WeakPolarHBondContact CB-O 3.45Å; M32-I37 HydrophobicContact CG-CG1 4.45Å; M32-I37 WeakPolarHBondContact CG-O 3.49Å; M32-I37 PolarHBondContact O-N 3.12Å; M32-K39 HydrophobicContact CE-CB 4.01Å; M32-K39 HydrophobicContact SD-CB 3.83Å; M32-K39 HydrophobicContact SD-CG 4.32Å; M32-F42 HydrophobicContact CG-CB 4.49Å
33D83.7Confident82.4Confident112 Ų11266.6 Ų66.660%0.59937%0.373SS*.Hα-helixtrans-71.3-42.6-179-62.8-20.3000111K29 F35 G36K29-D33 WeakPolarHBondContact CG-OD2 3.14Å; K29-D33 WeakPolarHBondContact O-CB 3.38Å; K29-D33 VanDerWaalsContact O-CG 3.23Å; K29-D33 PolarHBondContact O-N 2.92Å; D33-F35 PolarHBondContact O-N 2.93Å; D33-G36 PolarHBondContact O-N 2.81Å
34E81.8Confident82.3Confident82 Ų8265.3 Ų65.338%0.38337%0.37SS..Hα-helixtrans-62.9-36.2179.7-177.3172.917700113.3R21 R26 S30R21-E34 IonicContact CZ-OE1 3.12Å; R21-E34 IonicContact CZ-OE2 2.77Å; R21-E34 IonicContact NH1-OE1 2.78Å; R21-E34 PolarHBondContact NH1-OE1 3.05Å; R21-E34 IonicContact NH1-OE2 2.61Å; R21-E34 PolarHBondContact NH1-OE2 3.11Å; R21-E34 IonicContact NH2-OE1 3.78Å; R21-E34 PolarHBondContact NH2-OE1 3.3Å; R26-E34 IonicContact CZ-OE2 2.99Å; R26-E34 IonicContact NH2-OE2 2.99Å; R26-E34 PolarHBondContact NH2-OE2 3.07Å; S30-E34 WeakPolarHBondContact O-CB 3.47Å; S30-E34 PolarHBondContact O-N 3.42Å
35F80.2Confident82.3Confident34 Ų3462.1 Ų62.115%0.14934%0.342CS..Hα-helixtrans-1062.8-178.1-66.5-90.5000113.8L10 K17 V18 R21 V31 D33 I37L10-F35 HydrophobicContact CD1-CB 4.4Å; K17-F35 HydrophobicContact CB-CE1 3.8Å; K17-F35 HydrophobicContact CB-CZ 3.81Å; V18-F35 HydrophobicContact CG2-CB 4.06Å; V18-F35 HydrophobicContact CG2-CD1 3.65Å; V18-F35 HydrophobicContact CG2-CD2 3.63Å; V18-F35 HydrophobicContact CG2-CE1 3.94Å; V18-F35 HydrophobicContact CG2-CE2 3.92Å; V18-F35 HydrophobicContact CG2-CG 3.48Å; V18-F35 VanDerWaalsContact CG2-CG 3.48Å; V18-F35 HydrophobicContact CG2-CZ 4.08Å; R21-F35 HydrophobicContact CG-CE2 4.19Å; R21-F35 HydrophobicContact CG-CZ 4.45Å; V31-F35 HydrophobicContact CG1-CD2 3.97Å; V31-F35 HydrophobicContact CG1-CE2 4.28Å; V31-F35 WeakPolarHBondContact O-CD2 3.4Å; V31-F35 PolarHBondContact O-N 3.27Å; D33-F35 PolarHBondContact O-N 2.93Å; F35-I37 VanDerWaalsContact C-N 3.31Å; F35-I37 HydrophobicContact CB-CD1 4.38Å; F35-I37 HydrophobicContact CB-CG1 4.25Å; F35-I37 HydrophobicContact CB-CG2 4.23Å; F35-I37 WeakPolarHBondContact O-CG2 3.39Å; F35-I37 PolarHBondContact O-N 2.66Å
36G82.6Confident82.5Confident45 Ų4564.1 Ų64.146%0.46433%0.333SS..THydrogen-bonded Turntrans58.837.5-179.300000114.1T8 M32 D33T8-G36 WeakPolarHBondContact CB-O 3.29Å; T8-G36 PolarHBondContact OG1-O 3.21Å; M32-G36 WeakPolarHBondContact O-CA 3.39Å; M32-G36 PolarHBondContact O-N 3.16Å; D33-G36 PolarHBondContact O-N 2.81Å
37I83Confident82.4Confident10 Ų1067 Ų675%0.05135%0.348CS..  trans-112.8149.1-173.661.2174.5000114L10 V18 M32 F35 T41 F42 I45L10-I37 HydrophobicContact CD1-CD1 4.38Å; L10-I37 HydrophobicContact CD1-CG2 3.6Å; L10-I37 HydrophobicContact CD2-CG2 3.94Å; L10-I37 HydrophobicContact CG-CG2 3.7Å; V18-I37 HydrophobicContact CG1-CD1 4.43Å; V18-I37 HydrophobicContact CG2-CD1 4.25Å; M32-I37 WeakPolarHBondContact CB-O 3.45Å; M32-I37 HydrophobicContact CG-CG1 4.45Å; M32-I37 WeakPolarHBondContact CG-O 3.49Å; M32-I37 PolarHBondContact O-N 3.12Å; F35-I37 VanDerWaalsContact C-N 3.31Å; F35-I37 HydrophobicContact CB-CD1 4.38Å; F35-I37 HydrophobicContact CB-CG1 4.25Å; F35-I37 HydrophobicContact CB-CG2 4.23Å; F35-I37 WeakPolarHBondContact O-CG2 3.39Å; F35-I37 PolarHBondContact O-N 2.66Å; I37-T41 HydrophobicContact CB-CG2 4.15Å; I37-T41 HydrophobicContact CG2-CG2 4.14Å; I37-F42 HydrophobicContact CD1-CB 4.16Å; I37-I45 HydrophobicContact CD1-CD1 4.48Å
38S83.8Confident82Confident54 Ų5466.3 Ų66.338%0.37834%0.339SS..  trans-74.6159.1174.770.80000112.5S40 T41 F42S38-S40 VanDerWaalsContact C-N 3.26Å; S38-S40 PolarHBondContact O-N 2.95Å; S38-S40 PolarHBondContact OG-OG 3.06Å; S38-T41 PolarHBondContact O-N 2.87Å; S38-T41 VanDerWaalsContact O-N 3.13Å; S38-T41 PolarHBondContact OG-N 2.57Å; S38-T41 PolarHBondContact OG-OG1 3.21Å; S38-F42 PolarHBondContact O-N 3.17Å; S38-F42 VanDerWaalsContact O-N 3.08Å
39K81.7Confident81.8Confident122 Ų12267.3 Ų67.353%0.5334%0.341SS..Hα-helixtrans-55.4-38.7176.7-171.9171.7179.4179.50112.5L28 M32 Y43L28-K39 HydrophobicContact CD2-CD 4.28Å; L28-K39 HydrophobicContact CD2-CG 4.29Å; M32-K39 HydrophobicContact CE-CB 4.01Å; M32-K39 HydrophobicContact SD-CB 3.83Å; M32-K39 HydrophobicContact SD-CG 4.32Å; K39-Y43 HydrophobicContact CD-CE2 4.38Å; K39-Y43 HydrophobicContact CG-CD2 4.02Å; K39-Y43 HydrophobicContact CG-CE2 3.73Å; K39-Y43 WeakPolarHBondContact O-CD2 3.35Å; K39-Y43 PolarHBondContact O-N 2.97Å
40S76.9Confident81.2Confident72 Ų7268.1 Ų68.150%0.50334%0.344SS..Hα-helixtrans-63.4-49.8175.251.50000112S38 F42 Y43 D44S38-S40 VanDerWaalsContact C-N 3.26Å; S38-S40 PolarHBondContact O-N 2.95Å; S38-S40 PolarHBondContact OG-OG 3.06Å; S40-F42 VanDerWaalsContact C-N 3.27Å; S40-F42 PolarHBondContact O-N 3.14Å; S40-Y43 PolarHBondContact O-N 3.28Å; S40-Y43 VanDerWaalsContact O-N 3.09Å; S40-D44 PolarHBondContact O-N 3.01Å
41T79Confident80.4Confident19 Ų1971.1 Ų71.112%0.11736%0.357CS..Hα-helixtrans-56.7-40178.4-56.40000112.1I37 S38 D44 I45I37-T41 HydrophobicContact CB-CG2 4.15Å; I37-T41 HydrophobicContact CG2-CG2 4.14Å; S38-T41 PolarHBondContact O-N 2.87Å; S38-T41 VanDerWaalsContact O-N 3.13Å; S38-T41 PolarHBondContact OG-N 2.57Å; S38-T41 PolarHBondContact OG-OG1 3.21Å; T41-D44 PolarHBondContact O-N 2.92Å; T41-I45 HydrophobicContact CG2-CD1 3.92Å; T41-I45 WeakPolarHBondContact O-CD1 3.4Å; T41-I45 VanDerWaalsContact O-CG1 3.25Å; T41-I45 WeakPolarHBondContact O-CG1 3.21Å; T41-I45 PolarHBondContact O-N 3.2Å
42F84Confident79.6Confident12 Ų1271.3 Ų71.35%0.05336%0.358CS..Hα-helixtrans-59.5-50.3174.5175.7-82.9000112.2I22 L28 V31 M32 I37 S38 S40 I45 K46I22-F42 HydrophobicContact CD1-CD2 4.1Å; I22-F42 HydrophobicContact CD1-CE1 4.28Å; I22-F42 HydrophobicContact CD1-CE2 3.57Å; I22-F42 HydrophobicContact CD1-CZ 3.69Å; I22-F42 HydrophobicContact CG1-CD2 4.44Å; I22-F42 HydrophobicContact CG1-CE2 3.49Å; I22-F42 VanDerWaalsContact CG1-CE2 3.49Å; I22-F42 HydrophobicContact CG1-CZ 3.58Å; L28-F42 HydrophobicContact CD1-CB 4.18Å; L28-F42 HydrophobicContact CD1-CD1 3.31Å; L28-F42 HydrophobicContact CD1-CD2 3.84Å; L28-F42 HydrophobicContact CD1-CE1 3.47Å; L28-F42 VanDerWaalsContact CD1-CE1 3.47Å; L28-F42 HydrophobicContact CD1-CE2 3.95Å; L28-F42 HydrophobicContact CD1-CG 3.51Å; L28-F42 HydrophobicContact CD1-CZ 3.77Å; V31-F42 HydrophobicContact CB-CD2 4.17Å; V31-F42 HydrophobicContact CB-CE2 3.83Å; V31-F42 HydrophobicContact CG1-CD2 3.91Å; V31-F42 HydrophobicContact CG1-CE2 3.8Å; V31-F42 HydrophobicContact CG2-CE2 4.33Å; M32-F42 HydrophobicContact CG-CB 4.49Å; I37-F42 HydrophobicContact CD1-CB 4.16Å; S38-F42 PolarHBondContact O-N 3.17Å; S38-F42 VanDerWaalsContact O-N 3.08Å; S40-F42 VanDerWaalsContact C-N 3.27Å; S40-F42 PolarHBondContact O-N 3.14Å; F42-I45 PolarHBondContact O-N 3.26Å; F42-K46 HydrophobicContact CE1-CD 4.4Å; F42-K46 WeakPolarHBondContact O-CB 3.29Å; F42-K46 PolarHBondContact O-N 2.88Å
43Y83.8Confident78.7Confident112 Ų11271.7 Ų71.744%0.43936%0.361SS..Hα-helixtrans-69.7-33.2179.7-75.3-70.7000112.6L28 K39 S40 K46 K47L28-Y43 HydrophobicContact CD2-CE2 4.43Å; K39-Y43 HydrophobicContact CD-CE2 4.38Å; K39-Y43 HydrophobicContact CG-CD2 4.02Å; K39-Y43 HydrophobicContact CG-CE2 3.73Å; K39-Y43 WeakPolarHBondContact O-CD2 3.35Å; K39-Y43 PolarHBondContact O-N 2.97Å; S40-Y43 PolarHBondContact O-N 3.28Å; S40-Y43 VanDerWaalsContact O-N 3.09Å; Y43-K46 PolarHBondContact O-N 3.43Å; Y43-K47 VanDerWaalsContact O-CB 3.25Å; Y43-K47 WeakPolarHBondContact O-CB 3.3Å; Y43-K47 PolarHBondContact O-N 3.4Å
44D78Confident77.5Confident85 Ų8570.1 Ų70.146%0.45535%0.352SS..Hα-helixtrans-64.6-41.2174.2-73.1-30.9000111.7S40 T41 N48S40-D44 PolarHBondContact O-N 3.01Å; T41-D44 PolarHBondContact O-N 2.92Å; D44-N48 WeakPolarHBondContact O-CB 3.37Å; D44-N48 PolarHBondContact O-N 2.74Å; D44-N48 PolarHBondContact O-ND2 3.18Å
45I81.2Confident76.3Confident8 Ų868.4 Ų68.44%0.04134%0.344CS..Hα-helixtrans-64.7-47.7173.8-67.9163.6000110L10 K15 V18 L19 I37 T41 F42 K47 N48 K49 I52L10-I45 HydrophobicContact CD1-CD1 3.95Å; K15-I45 HydrophobicContact CB-CG2 4.39Å; K15-I45 HydrophobicContact CD-CG1 4.48Å; K15-I45 HydrophobicContact CG-CD1 3.89Å; K15-I45 HydrophobicContact CG-CG1 4.05Å; V18-I45 HydrophobicContact CG1-CD1 4.28Å; V18-I45 HydrophobicContact CG1-CG2 3.95Å; L19-I45 HydrophobicContact CD2-CG2 3.9Å; L19-I45 HydrophobicContact CG-CG2 3.88Å; I37-I45 HydrophobicContact CD1-CD1 4.48Å; T41-I45 HydrophobicContact CG2-CD1 3.92Å; T41-I45 WeakPolarHBondContact O-CD1 3.4Å; T41-I45 VanDerWaalsContact O-CG1 3.25Å; T41-I45 WeakPolarHBondContact O-CG1 3.21Å; T41-I45 PolarHBondContact O-N 3.2Å; F42-I45 PolarHBondContact O-N 3.26Å; I45-K47 VanDerWaalsContact C-N 3.32Å; I45-K47 PolarHBondContact O-N 3.45Å; I45-N48 CarbonylContact O-C 3.56Å; I45-N48 PolarHBondContact O-N 3.47Å; I45-K49 PolarHBondContact O-N 2.9Å; I45-K49 VanDerWaalsContact O-N 3.14Å; I45-I52 HydrophobicContact CG2-CD1 4.21Å
46K83.1Confident75.2Confident108 Ų10869.6 Ų69.647%0.4735%0.354SS..Hα-helixtrans-59-41.3178.1-170173.8-177.9174.50112.3I22 F42 Y43 K49I22-K46 HydrophobicContact CD1-CB 4.25Å; I22-K46 HydrophobicContact CG2-CD 4.06Å; I22-K46 HydrophobicContact CG2-CG 4.39Å; F42-K46 HydrophobicContact CE1-CD 4.4Å; F42-K46 WeakPolarHBondContact O-CB 3.29Å; F42-K46 PolarHBondContact O-N 2.88Å; Y43-K46 PolarHBondContact O-N 3.43Å; K46-K49 WeakPolarHBondContact O-CB 3.43Å; K46-K49 PolarHBondContact O-N 3.47Å
47K82.6Confident73.7Confident175 Ų17574.1 Ų74.176%0.76137%0.366SS*.Hα-helixtrans-66.2-39.4177.3-177.4176.1178.6179.50112.2Y43 I45 K49Y43-K47 VanDerWaalsContact O-CB 3.25Å; Y43-K47 WeakPolarHBondContact O-CB 3.3Å; Y43-K47 PolarHBondContact O-N 3.4Å; I45-K47 VanDerWaalsContact C-N 3.32Å; I45-K47 PolarHBondContact O-N 3.45Å; K47-K49 VanDerWaalsContact C-N 3.31Å; K47-K49 PolarHBondContact O-N 3.15Å
48N75.5Confident72Confident60 Ų6081.7 Ų81.732%0.32140%0.399SS..THydrogen-bonded Turntrans-87.79.7-179.1-68-63.1000114.1D44 I45 K50 L51 I52D44-N48 WeakPolarHBondContact O-CB 3.37Å; D44-N48 PolarHBondContact O-N 2.74Å; D44-N48 PolarHBondContact O-ND2 3.18Å; I45-N48 CarbonylContact O-C 3.56Å; I45-N48 PolarHBondContact O-N 3.47Å; N48-K50 PolarHBondContact O-N 3.05Å; N48-L51 PolarHBondContact O-N 3.24Å; N48-I52 HydrophobicContact CB-CD1 4.22Å; N48-I52 WeakPolarHBondContact O-CG1 3.34Å; N48-I52 PolarHBondContact O-N 3.23Å
49K77.9Confident70.4Confident72 Ų7283.6 Ų83.631%0.31340%0.402SS..Hα-helixtrans-43.7-54.1-178177.2-179.9179.9-174.70113.7L19 E23 I45 K46 K47 L51 I52 L53L19-K49 HydrophobicContact CD1-CB 4.43Å; L19-K49 HydrophobicContact CD1-CG 4.21Å; L19-K49 HydrophobicContact CD2-CB 3.8Å; L19-K49 HydrophobicContact CD2-CD 4.34Å; L19-K49 HydrophobicContact CD2-CG 3.89Å; E23-K49 WeakPolarHBondContact OE1-CE 3.2Å; E23-K49 IonicContact OE1-NZ 3.39Å; E23-K49 PolarHBondContact OE1-NZ 3.25Å; I45-K49 PolarHBondContact O-N 2.9Å; I45-K49 VanDerWaalsContact O-N 3.14Å; K46-K49 WeakPolarHBondContact O-CB 3.43Å; K46-K49 PolarHBondContact O-N 3.47Å; K47-K49 VanDerWaalsContact C-N 3.31Å; K47-K49 PolarHBondContact O-N 3.15Å; K49-L51 PolarHBondContact O-N 3.17Å; K49-I52 PolarHBondContact O-N 3.26Å; K49-L53 HydrophobicContact CD-CD1 4.49Å; K49-L53 HydrophobicContact CG-CD1 3.84Å; K49-L53 WeakPolarHBondContact O-CG 3.5Å; K49-L53 PolarHBondContact O-N 3.05Å
50K71.3Confident68.1Low168 Ų16885.7 Ų85.773%0.7342%0.419SS*.Hα-helixtrans-60.3-43.5-179-71.5-168.9175.9-1720112.3N48 I52 L53 D54N48-K50 PolarHBondContact O-N 3.05Å; K50-I52 VanDerWaalsContact C-N 3.3Å; K50-I52 PolarHBondContact O-N 2.99Å; K50-L53 PolarHBondContact O-N 3.1Å; K50-D54 WeakPolarHBondContact O-CB 3.38Å; K50-D54 PolarHBondContact O-N 3.44Å
51L68.8Low66Low101 Ų10188.3 Ų88.353%0.52942%0.424SS..Hα-helixtrans-67.1-30.5178.8-63.9174.7000112.9N48 K49 F55N48-L51 PolarHBondContact O-N 3.24Å; K49-L51 PolarHBondContact O-N 3.17Å; L51-F55 WeakPolarHBondContact O-CB 3.42Å; L51-F55 PolarHBondContact O-N 2.98Å
52I67.6Low63.8Low4 Ų492.3 Ų92.32%0.02145%0.451CS..Hα-helixtrans-71.9-45.6175-66.7164.5000109.9L12 M16 L19 I45 N48 K49 K50 F55 V56 T72L12-I52 HydrophobicContact CD1-CG2 4.02Å; M16-I52 HydrophobicContact CG-CG2 4.38Å; M16-I52 HydrophobicContact SD-CG2 3.82Å; L19-I52 HydrophobicContact CD1-CB 4.16Å; L19-I52 HydrophobicContact CD1-CD1 4.14Å; L19-I52 HydrophobicContact CD1-CG2 3.91Å; I45-I52 HydrophobicContact CG2-CD1 4.21Å; N48-I52 HydrophobicContact CB-CD1 4.22Å; N48-I52 WeakPolarHBondContact O-CG1 3.34Å; N48-I52 PolarHBondContact O-N 3.23Å; K49-I52 PolarHBondContact O-N 3.26Å; K50-I52 VanDerWaalsContact C-N 3.3Å; K50-I52 PolarHBondContact O-N 2.99Å; I52-F55 PolarHBondContact O-N 3.38Å; I52-V56 WeakPolarHBondContact O-CG2 3.45Å; I52-V56 PolarHBondContact O-N 3.35Å; I52-T72 HydrophobicContact CG1-CG2 3.96Å
53L65.5Low61.6Low51 Ų5197.4 Ų97.427%0.26748%0.478SS..Hα-helixtrans-66.2-49.4178.4-68.5170.9000112.4M16 K49 K50 F55 V56 L57M16-L53 HydrophobicContact CE-CD2 3.7Å; M16-L53 HydrophobicContact SD-CD2 3.87Å; K49-L53 HydrophobicContact CD-CD1 4.49Å; K49-L53 HydrophobicContact CG-CD1 3.84Å; K49-L53 WeakPolarHBondContact O-CG 3.5Å; K49-L53 PolarHBondContact O-N 3.05Å; K50-L53 PolarHBondContact O-N 3.1Å; L53-F55 PolarHBondContact O-N 2.94Å; L53-V56 PolarHBondContact O-N 3.04Å; L53-V56 VanDerWaalsContact O-N 3.11Å; L53-L57 WeakPolarHBondContact O-CB 3.25Å; L53-L57 WeakPolarHBondContact O-CG 3.45Å; L53-L57 PolarHBondContact O-N 3.27Å
54D60.3Low59.4Low79 Ų7998 Ų9842%0.42249%0.493SS..Hα-helixtrans-58.7-33.1176.9-77.211.4000112.2K50 K58K50-D54 WeakPolarHBondContact O-CB 3.38Å; K50-D54 PolarHBondContact O-N 3.44Å; D54-K58 VanDerWaalsContact O-CB 3.32Å; D54-K58 WeakPolarHBondContact O-CB 3.47Å; D54-K58 VanDerWaalsContact O-CG 3.23Å; D54-K58 WeakPolarHBondContact O-CG 3.39Å; D54-K58 PolarHBondContact O-N 3.13Å; D54-K58 VanDerWaalsContact O-N 3.15Å
55F55.6Low57.7Low46 Ų4695.8 Ų95.820%0.20249%0.49CS..Hα-helixtrans-72-37.7177.6-174-88.1000112L12 L51 I52 L53L12-F55 HydrophobicContact CD2-CD1 3.97Å; L12-F55 HydrophobicContact CD2-CE1 4.13Å; L51-F55 WeakPolarHBondContact O-CB 3.42Å; L51-F55 PolarHBondContact O-N 2.98Å; I52-F55 PolarHBondContact O-N 3.38Å; L53-F55 PolarHBondContact O-N 2.94Å
56V57.5Low55.9Low59 Ų5996.2 Ų96.236%0.35850%0.495SS..Hα-helixtrans-69.2-46.1173.9172.80000110.6L12 M16 I52 L53 K58 Q59L12-V56 HydrophobicContact CD2-CG2 4.05Å; L12-V56 HydrophobicContact CG-CG2 4.36Å; M16-V56 HydrophobicContact CG-CG2 4.46Å; M16-V56 HydrophobicContact SD-CG2 4.32Å; I52-V56 WeakPolarHBondContact O-CG2 3.45Å; I52-V56 PolarHBondContact O-N 3.35Å; L53-V56 PolarHBondContact O-N 3.04Å; L53-V56 VanDerWaalsContact O-N 3.11Å; V56-K58 VanDerWaalsContact C-N 3.29Å; V56-K58 PolarHBondContact O-N 2.7Å; V56-Q59 PolarHBondContact O-N 3.19Å
57L50Low54.1Low140 Ų14095.1 Ų95.173%0.73349%0.491SS*.Hα-helixtrans-68.9-20.9-177.5-69169.1000114.3L53L53-L57 WeakPolarHBondContact O-CB 3.25Å; L53-L57 WeakPolarHBondContact O-CG 3.45Å; L53-L57 PolarHBondContact O-N 3.27Å
58K48.4Very low52.3Low168 Ų16895.2 Ų95.273%0.7349%0.492SS*.THydrogen-bonded Turntrans-89.4-9.4177.1-75.7175.4-179.6174.10114.3D54 V56 D60D54-K58 VanDerWaalsContact O-CB 3.32Å; D54-K58 WeakPolarHBondContact O-CB 3.47Å; D54-K58 VanDerWaalsContact O-CG 3.23Å; D54-K58 WeakPolarHBondContact O-CG 3.39Å; D54-K58 PolarHBondContact O-N 3.13Å; D54-K58 VanDerWaalsContact O-N 3.15Å; V56-K58 VanDerWaalsContact C-N 3.29Å; V56-K58 PolarHBondContact O-N 2.7Å; K58-D60 PolarHBondContact O-N 3.07Å
59Q49.7Very low51.2Low94 Ų9494.7 Ų94.744%0.43949%0.485SS..  trans-9779.6176.2-67.8-152.7-52.200110.4V56 M61V56-Q59 PolarHBondContact O-N 3.19Å; Q59-M61 PolarHBondContact O-N 3.35Å
60D33.2Very low49.8Very low167 Ų16796.6 Ų96.689%0.89349%0.494SS*.  trans-77.655.6173.2-142.78.9000110.4K58K58-D60 PolarHBondContact O-N 3.07Å
61M32.1Very low48.9Very low126 Ų12697.9 Ų97.962%0.62149%0.494SS*.SBendtrans-141.3143.3-178.6-84.3-70.3-70.700108.9Q59Q59-M61 PolarHBondContact O-N 3.35Å
62P34.8Very low47.9Very low103 Ų10395.4 Ų95.467%0.66948%0.483SS*.  trans-58.1144.1-178.623.1-33.3000111.9V64P62-V64 PolarHBondContact O-N 2.96Å
63L37.1Very low47Very low119 Ų119100.1 Ų100.162%0.62351%0.512SS*.  trans-66.836.3-168.5-87.5162.7000116.2G65 A66 E67L63-G65 PolarHBondContact O-N 2.92Å; L63-G65 VanDerWaalsContact O-N 3.1Å; L63-A66 HydrophobicContact CD2-CB 4.2Å; L63-E67 HydrophobicContact CD2-CG 4.49Å
64V36.7Very low46.3Very low126 Ų126100.2 Ų100.276%0.76453%0.525SS*.SBendtrans-82.992.6177.1-172.50000110.2P62P62-V64 PolarHBondContact O-N 2.96Å
65G42.8Very low46.2Very low37 Ų3797.7 Ų97.738%0.38152%0.516SS..SBendtrans107.7-16167.200000116.6L63 E67L63-G65 PolarHBondContact O-N 2.92Å; L63-G65 VanDerWaalsContact O-N 3.1Å; G65-E67 VanDerWaalsContact C-N 3.29Å; G65-E67 PolarHBondContact O-N 3.35Å
66A43.9Very low46.6Very low17 Ų17103.6 Ų103.614%0.1454%0.541CS..SBendtrans-65.4-31.9176.600000112.8L63 K68 R69L63-A66 HydrophobicContact CD2-CB 4.2Å; A66-K68 VanDerWaalsContact C-N 3.29Å; A66-K68 PolarHBondContact O-N 2.95Å; A66-R69 WeakPolarHBondContact O-CB 3.29Å; A66-R69 PolarHBondContact O-N 2.92Å
67E45.4Very low47.2Very low86 Ų86102.2 Ų102.240%0.40253%0.53SS..THydrogen-bonded Turntrans-53-43.3-179.6-61.1172.7168.400112.4N11 L12 L63 G65 R69N11-E67 WeakPolarHBondContact CB-O 3.23Å; N11-E67 PolarHBondContact OD1-O 2.87Å; L12-E67 PolarHBondContact N-O 2.97Å; L63-E67 HydrophobicContact CD2-CG 4.49Å; G65-E67 VanDerWaalsContact C-N 3.29Å; G65-E67 PolarHBondContact O-N 3.35Å; E67-R69 PolarHBondContact O-N 2.88Å
68K45.2Very low47.9Very low177 Ų17796.8 Ų96.877%0.7751%0.508SS*.THydrogen-bonded Turntrans-78.2-0.7-176.9-62.1-178.8-177.5176.30113.6A66A66-K68 VanDerWaalsContact C-N 3.29Å; A66-K68 PolarHBondContact O-N 2.95Å
69R51.9Low48.6Very low49 Ų4991.3 Ų91.319%0.18549%0.486CS..  trans-79.5121-170.7-169.1171.8178149.3-4.9113.1N11 L12 A66 E67 R71N11-R69 CarbonylContact C-O 3.51Å; L12-R69 PolarHBondContact N-O 3.48Å; A66-R69 WeakPolarHBondContact O-CB 3.29Å; A66-R69 PolarHBondContact O-N 2.92Å; E67-R69 PolarHBondContact O-N 2.88Å; R69-R71 PolarHBondContact NE-O 3.25Å
70K48.6Very low49.5Very low112 Ų11286.8 Ų86.849%0.48747%0.465SS..  trans-94.4-10.6-172.6-72.5-177.7176.2-160.40116.3T9 K15T9-K70 HydrophobicContact CG2-CB 3.8Å; T9-K70 HydrophobicContact CG2-CD 3.86Å; T9-K70 HydrophobicContact CG2-CG 4.07Å; T9-K70 WeakPolarHBondContact O-CD 3.46Å; T9-K70 WeakPolarHBondContact O-CE 3.46Å; T9-K70 PolarHBondContact O-NZ 2.87Å; T9-K70 VanDerWaalsContact O-NZ 3.12Å; K15-K70 PolarHBondContact NZ-O 3Å
71R51.1Low51.4Low195 Ų19579 Ų7974%0.73642%0.424SS*.  trans-136.5140.4178.3-70.5-174.4176-173.4-2.1112.1R69R69-R71 PolarHBondContact NE-O 3.25Å
72T47.8Very low52.6Low48 Ų4877.6 Ų77.629%0.29442%0.419SS..  trans-84.3-13.5175.946.50000113.5I52 G74I52-T72 HydrophobicContact CG1-CG2 3.96Å; T72-G74 PolarHBondContact O-N 3.04Å
73T48.5Very low53.8Low103 Ų10373.5 Ų73.563%0.63239%0.394SS*.  trans-64.8125.1176.3-190000109.8
74G52.3Low55.2Low53 Ų5367.9 Ų67.955%0.54636%0.364SS..  trans-68.2-178.1173.900000112.9T72T72-G74 PolarHBondContact O-N 3.04Å
75A58.5Low56.5Low27 Ų2764.6 Ų64.622%0.22334%0.338CS..  trans-62.5154.3167.200000110.3Y77 D81A75-Y77 PolarHBondContact O-N 3.11Å; A75-D81 HydrophobicContact CB-CB 3.66Å
76K63.4Low57Low169 Ų16968 Ų6874%0.73535%0.346SS*.THydrogen-bonded Turntrans-60.5-29.7167.3-173.3-174.1171.7-150.80111.3D118K76-D118 IonicContact NZ-OD2 3.55Å
77Y69.9Low58.5Low30 Ų3070 Ų7012%0.11835%0.35CS..THydrogen-bonded Turntrans-126.478176.8-48.2-91.1000107.7A75 D79 V80 D81 R116 D118 F119A75-Y77 PolarHBondContact O-N 3.11Å; Y77-D79 VanDerWaalsContact C-N 3.31Å; Y77-D79 WeakPolarHBondContact CA-OD1 3.13Å; Y77-V80 PolarHBondContact O-N 2.71Å; Y77-D81 WeakPolarHBondContact O-CB 3.22Å; Y77-D81 PolarHBondContact O-N 3.12Å; Y77-D81 VanDerWaalsContact O-N 3.1Å; Y77-R116 HydrophobicContact CD1-CB 4.35Å; Y77-R116 HydrophobicContact CD1-CG 4.16Å; Y77-D118 WeakPolarHBondContact CE1-OD1 3.32Å; Y77-D118 PolarHBondContact OH-OD2 3.49Å; Y77-F119 AromaticContact CD2-CD2 3.53Å; Y77-F119 HydrophobicContact CD2-CD2 3.53Å; Y77-F119 HydrophobicContact CD2-CE2 4.09Å; Y77-F119 AromaticContact CE2-CD2 3.83Å; Y77-F119 HydrophobicContact CE2-CD2 3.83Å; Y77-F119 AromaticContact CG-CD2 3.92Å; Y77-F119 HydrophobicContact CG-CD2 3.92Å
78G63.8Low59.4Low27 Ų2767.8 Ų67.828%0.27834%0.338SS..Hα-helixtrans-62.4-39.4-175.400000112.6V80 D81 D82G78-V80 PolarHBondContact O-N 3.23Å; G78-D81 WeakPolarHBondContact O-CB 3.42Å; G78-D81 PolarHBondContact O-N 3.49Å; G78-D81 VanDerWaalsContact O-N 3.11Å; G78-D82 VanDerWaalsContact O-CG 3.31Å; G78-D82 PolarHBondContact O-N 3.22Å
79D63.2Low59.7Low52 Ų5262.8 Ų62.828%0.27832%0.317SS..Hα-helixtrans-50.2-53.8171.348.50.3000113.5Y77 D81 A83 F114 R116Y77-D79 VanDerWaalsContact C-N 3.31Å; Y77-D79 WeakPolarHBondContact CA-OD1 3.13Å; D79-D81 VanDerWaalsContact C-N 3.31Å; D79-D81 PolarHBondContact O-N 3.5Å; D79-A83 VanDerWaalsContact O-CB 3.31Å; D79-A83 WeakPolarHBondContact O-CB 3.44Å; D79-A83 PolarHBondContact O-N 3.14Å; D79-F114 HydrophobicContact CB-CD2 4.02Å; D79-F114 HydrophobicContact CB-CE2 4.33Å; D79-F114 WeakPolarHBondContact O-CE2 3.39Å; D79-R116 IonicContact OD1-NE 2.92Å; D79-R116 IonicContact OD2-CZ 3.92Å; D79-R116 IonicContact OD2-NE 2.58Å; D79-R116 PolarHBondContact OD2-NE 2.6Å; D79-R116 IonicContact OD2-NH2 2.75Å; D79-R116 PolarHBondContact OD2-NH2 3.29Å
80V68.7Low59.6Low0 Ų063.6 Ų63.60%032%0.323CS..Hα-helixtrans-64.7-38.5176.9-178.50000110.8Y77 G78 V84 A107 F110 A111 F114 R116 F119Y77-V80 PolarHBondContact O-N 2.71Å; G78-V80 PolarHBondContact O-N 3.23Å; V80-V84 HydrophobicContact CG1-CG2 4.3Å; V80-V84 WeakPolarHBondContact O-CG2 3.46Å; V80-V84 PolarHBondContact O-N 3.42Å; V80-A107 HydrophobicContact CG1-CB 4.3Å; V80-A107 WeakPolarHBondContact CG1-O 3.49Å; V80-F110 HydrophobicContact CG1-CB 4.42Å; V80-A111 HydrophobicContact CG1-CB 4.29Å; V80-A111 HydrophobicContact CG2-CB 3.96Å; V80-F114 HydrophobicContact CG2-CD2 3.97Å; V80-R116 HydrophobicContact CG2-CG 4.09Å; V80-F119 HydrophobicContact CG1-CE1 4.14Å; V80-F119 HydrophobicContact CG1-CE2 4.15Å; V80-F119 HydrophobicContact CG1-CZ 3.89Å
81D73.1Confident60.1Low4 Ų462.1 Ų62.12%0.02132%0.317CS..Hα-helixtrans-66.8-48.6-176.4-145.983.6000113A75 Y77 G78 D79 V84 Y85 F129 R132 H133A75-D81 HydrophobicContact CB-CB 3.66Å; Y77-D81 WeakPolarHBondContact O-CB 3.22Å; Y77-D81 PolarHBondContact O-N 3.12Å; Y77-D81 VanDerWaalsContact O-N 3.1Å; G78-D81 WeakPolarHBondContact O-CB 3.42Å; G78-D81 PolarHBondContact O-N 3.49Å; G78-D81 VanDerWaalsContact O-N 3.11Å; D79-D81 VanDerWaalsContact C-N 3.31Å; D79-D81 PolarHBondContact O-N 3.5Å; D81-V84 PolarHBondContact O-N 3.27Å; D81-Y85 WeakPolarHBondContact O-CB 3.43Å; D81-Y85 PolarHBondContact O-N 2.91Å; D81-F129 WeakPolarHBondContact O-CE2 3.2Å; D81-R132 IonicContact OD1-CZ 2.86Å; D81-R132 IonicContact OD1-NH1 3.92Å; D81-R132 PolarHBondContact OD1-NH1 2.99Å; D81-R132 IonicContact OD1-NH2 2.62Å; D81-R132 PolarHBondContact OD1-NH2 3.31Å; D81-R132 IonicContact OD2-CZ 2.76Å; D81-R132 IonicContact OD2-NH1 3.1Å; D81-R132 PolarHBondContact OD2-NH1 2.89Å; D81-R132 IonicContact OD2-NH2 3.32Å; D81-H133 IonicContact OD2-CD2 2.93Å; D81-H133 IonicContact OD2-CE1 3.2Å; D81-H133 IonicContact OD2-NE2 3.87Å; D81-H133 PolarHBondContact OD2-NE2 2.7Å
82D58.7Low60.3Low96 Ų9658.6 Ų58.651%0.51330%0.304SS..Hα-helixtrans-68.9-39.5-178.5-63.3-29.6000110G78 Y85 M86G78-D82 VanDerWaalsContact O-CG 3.31Å; G78-D82 PolarHBondContact O-N 3.22Å; D82-Y85 PolarHBondContact O-N 3.36Å; D82-M86 WeakPolarHBondContact O-CG 3.32Å; D82-M86 PolarHBondContact O-N 2.98Å
83A59Low60Low17 Ų1759.9 Ų59.914%0.1432%0.315CS..Hα-helixtrans-61.7-44.1174.900000113.1D79 Y85 W87 F110 F114D79-A83 VanDerWaalsContact O-CB 3.31Å; D79-A83 WeakPolarHBondContact O-CB 3.44Å; D79-A83 PolarHBondContact O-N 3.14Å; A83-Y85 VanDerWaalsContact C-N 3.33Å; A83-W87 WeakPolarHBondContact O-CB 3.3Å; A83-W87 PolarHBondContact O-N 2.95Å; A83-F110 HydrophobicContact CB-CB 4.32Å; A83-F110 HydrophobicContact CB-CD1 4Å; A83-F110 HydrophobicContact CB-CD2 4.19Å; A83-F110 HydrophobicContact CB-CE1 4.36Å; A83-F110 HydrophobicContact CB-CG 3.92Å; A83-F114 HydrophobicContact CB-CE2 3.7Å; A83-F114 HydrophobicContact CB-CZ 3.87Å
84V66.3Low59.7Low0 Ų056.9 Ų56.90%030%0.3CS..Hα-helixtrans-68.6-33.9176.6-177.90000111.2V80 D81 Y88 L103 A106 A107 F110 W125 F129V80-V84 HydrophobicContact CG1-CG2 4.3Å; V80-V84 WeakPolarHBondContact O-CG2 3.46Å; V80-V84 PolarHBondContact O-N 3.42Å; D81-V84 PolarHBondContact O-N 3.27Å; V84-Y88 VanDerWaalsContact O-CB 3.29Å; V84-Y88 WeakPolarHBondContact O-CB 3.37Å; V84-Y88 PolarHBondContact O-N 3.43Å; V84-L103 HydrophobicContact CG1-CD2 3.79Å; V84-A106 HydrophobicContact CG1-CB 4.44Å; V84-A107 HydrophobicContact CG2-CB 3.6Å; V84-F110 HydrophobicContact CG2-CD2 3.67Å; V84-F110 HydrophobicContact CG2-CE2 4.4Å; V84-W125 HydrophobicContact CG1-CH2 4.17Å; V84-W125 HydrophobicContact CG2-CH2 4.4Å; V84-F129 HydrophobicContact CB-CE2 3.8Å; V84-F129 HydrophobicContact CB-CZ 3.93Å; V84-F129 HydrophobicContact CG1-CE1 4.11Å; V84-F129 HydrophobicContact CG1-CE2 3.87Å; V84-F129 HydrophobicContact CG1-CZ 3.54Å
85Y64.3Low59.1Low57 Ų5757.2 Ų57.222%0.22430%0.303CS..Hα-helixtrans-69.8-44.7177.2-176.8-130.1000112.4D81 D82 A83 W87 Y88 Q89 H133 I135D81-Y85 WeakPolarHBondContact O-CB 3.43Å; D81-Y85 PolarHBondContact O-N 2.91Å; D82-Y85 PolarHBondContact O-N 3.36Å; A83-Y85 VanDerWaalsContact C-N 3.33Å; Y85-W87 VanDerWaalsContact C-N 3.32Å; Y85-W87 PolarHBondContact O-N 2.91Å; Y85-Y88 HydrophobicContact CD2-CD1 4.22Å; Y85-Y88 HydrophobicContact CE2-CD1 4.28Å; Y85-Y88 WeakPolarHBondContact O-CB 3.45Å; Y85-Y88 PolarHBondContact O-N 3.5Å; Y85-Q89 HydrophobicContact CD2-CG 4.26Å; Y85-Q89 HydrophobicContact CE1-CG 4.45Å; Y85-Q89 HydrophobicContact CE2-CG 3.89Å; Y85-Q89 WeakPolarHBondContact O-CG 3.42Å; Y85-Q89 PolarHBondContact O-N 2.97Å; Y85-Q89 PolarHBondContact OH-NE2 2.86Å; Y85-Q89 VanDerWaalsContact OH-NE2 3.1Å; Y85-H133 AromaticContact CD1-CE1 3.68Å; Y85-H133 AromaticContact CD1-ND1 3.42Å; Y85-H133 WeakPolarHBondContact CD1-ND1 3.46Å; Y85-H133 HydrophobicContact CD2-CB 3.56Å; Y85-H133 AromaticContact CD2-CG 3.53Å; Y85-H133 AromaticContact CD2-ND1 3.74Å; Y85-H133 AromaticContact CE1-ND1 3.7Å; Y85-H133 HydrophobicContact CE2-CB 3.56Å; Y85-H133 AromaticContact CE2-CG 3.92Å; Y85-H133 HydrophobicContact CG-CB 4.18Å; Y85-H133 AromaticContact CG-CE1 3.65Å; Y85-H133 AromaticContact CG-CG 3.62Å; Y85-H133 AromaticContact CG-ND1 3.42Å; Y85-H133 AromaticContact CZ-ND1 3.98Å; Y85-I135 HydrophobicContact CD2-CD1 4.23Å; Y85-I135 HydrophobicContact CE2-CD1 4.46Å
86M53.8Low58.7Low110 Ų11058.9 Ų58.954%0.54231%0.311SS..Hα-helixtrans-57.8-45.1172.3-71175.467.200111.4D82 Y88 Q89 Q90D82-M86 WeakPolarHBondContact O-CG 3.32Å; D82-M86 PolarHBondContact O-N 2.98Å; M86-Y88 PolarHBondContact O-N 3.38Å; M86-Q89 PolarHBondContact O-N 2.97Å; M86-Q90 VanDerWaalsContact O-CG 3.28Å; M86-Q90 WeakPolarHBondContact O-CG 3.21Å; M86-Q90 PolarHBondContact O-N 3.21Å
87W74.4Confident58.1Low58 Ų5855.4 Ų55.422%0.2231%0.305CS..Hα-helixtrans-62.7-40.8175.717684.8000112.7A83 Y85 Q90 K91 V98 E102 L103 A106 F110A83-W87 WeakPolarHBondContact O-CB 3.3Å; A83-W87 PolarHBondContact O-N 2.95Å; Y85-W87 VanDerWaalsContact C-N 3.32Å; Y85-W87 PolarHBondContact O-N 2.91Å; W87-Q90 PolarHBondContact O-N 3.01Å; W87-K91 HydrophobicContact CD2-CG 4.32Å; W87-K91 HydrophobicContact CH2-CG 4.42Å; W87-K91 HydrophobicContact CZ2-CG 3.97Å; W87-K91 WeakPolarHBondContact O-CG 3.4Å; W87-K91 PolarHBondContact O-N 3.4Å; W87-V98 HydrophobicContact CH2-CG1 3.91Å; W87-V98 HydrophobicContact CZ3-CG1 3.7Å; W87-E102 HydrophobicContact CH2-CB 4.23Å; W87-L103 HydrophobicContact CE3-CD2 4.49Å; W87-L103 HydrophobicContact CZ3-CD2 4.18Å; W87-A106 HydrophobicContact CD2-CB 3.88Å; W87-A106 HydrophobicContact CE3-CB 3.58Å; W87-A106 HydrophobicContact CH2-CB 3.88Å; W87-A106 HydrophobicContact CZ2-CB 4.15Å; W87-A106 HydrophobicContact CZ3-CB 3.58Å; W87-F110 HydrophobicContact CB-CE2 3.74Å; W87-F110 HydrophobicContact CB-CZ 3.97Å; W87-F110 AromaticContact CG-CE2 3.96Å; W87-F110 HydrophobicContact CG-CE2 3.96Å; W87-F110 HydrophobicContact CG-CZ 4.2Å
88Y64.9Low57.8Low39 Ų3954.9 Ų54.915%0.15331%0.305CS..Hα-helixtrans-63.2-44.3174.9169.6-94000111.5V84 Y85 M86 K91 R92 V98 L103 I135V84-Y88 VanDerWaalsContact O-CB 3.29Å; V84-Y88 WeakPolarHBondContact O-CB 3.37Å; V84-Y88 PolarHBondContact O-N 3.43Å; Y85-Y88 HydrophobicContact CD2-CD1 4.22Å; Y85-Y88 HydrophobicContact CE2-CD1 4.28Å; Y85-Y88 WeakPolarHBondContact O-CB 3.45Å; Y85-Y88 PolarHBondContact O-N 3.5Å; M86-Y88 PolarHBondContact O-N 3.38Å; Y88-K91 PolarHBondContact O-N 2.99Å; Y88-R92 HydrophobicContact CD1-CG 4.22Å; Y88-R92 HydrophobicContact CD2-CG 4.2Å; Y88-R92 HydrophobicContact CE1-CG 3.71Å; Y88-R92 HydrophobicContact CE2-CG 3.71Å; Y88-R92 HydrophobicContact CG-CG 4.44Å; Y88-R92 VanDerWaalsContact CZ-CG 3.42Å; Y88-R92 VanDerWaalsContact O-CG 3.3Å; Y88-R92 WeakPolarHBondContact O-CG 3.46Å; Y88-R92 PolarHBondContact O-N 2.87Å; Y88-V98 HydrophobicContact CD2-CB 3.88Å; Y88-V98 HydrophobicContact CD2-CG1 4.14Å; Y88-V98 HydrophobicContact CD2-CG2 4.07Å; Y88-V98 HydrophobicContact CE2-CB 4.02Å; Y88-V98 HydrophobicContact CE2-CG2 4.38Å; Y88-L103 HydrophobicContact CD2-CD1 4.37Å; Y88-L103 HydrophobicContact CD2-CD2 3.78Å; Y88-L103 HydrophobicContact CD2-CG 4.37Å; Y88-L103 HydrophobicContact CG-CD2 4.12Å; Y88-I135 HydrophobicContact CD1-CD1 3.46Å; Y88-I135 VanDerWaalsContact CD1-CD1 3.46Å; Y88-I135 HydrophobicContact CD1-CG1 3.93Å; Y88-I135 HydrophobicContact CD2-CD1 4.09Å; Y88-I135 HydrophobicContact CE1-CB 4.46Å; Y88-I135 HydrophobicContact CE1-CD1 3.57Å; Y88-I135 HydrophobicContact CE1-CG1 3.49Å; Y88-I135 VanDerWaalsContact CE1-CG1 3.49Å; Y88-I135 HydrophobicContact CE1-CG2 4.28Å; Y88-I135 HydrophobicContact CE2-CD1 4.16Å; Y88-I135 HydrophobicContact CE2-CG1 4.39Å; Y88-I135 HydrophobicContact CE2-CG2 3.77Å; Y88-I135 HydrophobicContact CG-CD1 3.74Å
89Q51.5Low58Low72 Ų7261.4 Ų61.434%0.33632%0.321SS..Hα-helixtrans-59.7-46.9175.7-73.5-177.2-34.200111.3Y85 M86 K91 R92 S93Y85-Q89 HydrophobicContact CD2-CG 4.26Å; Y85-Q89 HydrophobicContact CE1-CG 4.45Å; Y85-Q89 HydrophobicContact CE2-CG 3.89Å; Y85-Q89 WeakPolarHBondContact O-CG 3.42Å; Y85-Q89 PolarHBondContact O-N 2.97Å; Y85-Q89 PolarHBondContact OH-NE2 2.86Å; Y85-Q89 VanDerWaalsContact OH-NE2 3.1Å; M86-Q89 PolarHBondContact O-N 2.97Å; Q89-K91 VanDerWaalsContact C-N 3.31Å; Q89-K91 PolarHBondContact O-N 3.19Å; Q89-R92 PolarHBondContact O-N 3.13Å; Q89-R92 VanDerWaalsContact O-N 3.09Å; Q89-S93 PolarHBondContact O-N 3Å; Q89-S93 PolarHBondContact O-OG 3.43Å
90Q49.2Very low58Low66 Ų6659.6 Ų59.631%0.30832%0.315SS..Hα-helixtrans-59.3-36.5175.6-71.8166.1-6.700113.3M86 W87 S93 A94M86-Q90 VanDerWaalsContact O-CG 3.28Å; M86-Q90 WeakPolarHBondContact O-CG 3.21Å; M86-Q90 PolarHBondContact O-N 3.21Å; W87-Q90 PolarHBondContact O-N 3.01Å; Q90-S93 WeakPolarHBondContact CA-OG 3.34Å; Q90-S93 PolarHBondContact O-OG 3.17Å; Q90-A94 WeakPolarHBondContact O-CB 3.4Å; Q90-A94 PolarHBondContact O-N 2.98Å
91K59.9Low58.1Low82 Ų8264 Ų6436%0.35734%0.342SS..Hα-helixtrans-74.6-31.5175.4-70.8-61.7-177.8-172.70112.5W87 Y88 Q89 V96 V98W87-K91 HydrophobicContact CD2-CG 4.32Å; W87-K91 HydrophobicContact CH2-CG 4.42Å; W87-K91 HydrophobicContact CZ2-CG 3.97Å; W87-K91 WeakPolarHBondContact O-CG 3.4Å; W87-K91 PolarHBondContact O-N 3.4Å; Y88-K91 PolarHBondContact O-N 2.99Å; Q89-K91 VanDerWaalsContact C-N 3.31Å; Q89-K91 PolarHBondContact O-N 3.19Å; K91-V96 WeakPolarHBondContact O-CA 3.26Å; K91-V96 WeakPolarHBondContact O-CB 3.38Å; K91-V96 PolarHBondContact O-N 3.15Å; K91-V98 HydrophobicContact CB-CG2 3.35Å; K91-V98 HydrophobicContact CG-CG2 4.21Å
92R54.8Low58.2Low121 Ų12166.4 Ų66.446%0.45735%0.353SS..Hα-helixtrans-76.8-32176.7-69.7-62.3-62.1148.41113.4Y88 Q89 G95Y88-R92 HydrophobicContact CD1-CG 4.22Å; Y88-R92 HydrophobicContact CD2-CG 4.2Å; Y88-R92 HydrophobicContact CE1-CG 3.71Å; Y88-R92 HydrophobicContact CE2-CG 3.71Å; Y88-R92 HydrophobicContact CG-CG 4.44Å; Y88-R92 VanDerWaalsContact CZ-CG 3.42Å; Y88-R92 VanDerWaalsContact O-CG 3.3Å; Y88-R92 WeakPolarHBondContact O-CG 3.46Å; Y88-R92 PolarHBondContact O-N 2.87Å; Q89-R92 PolarHBondContact O-N 3.13Å; Q89-R92 VanDerWaalsContact O-N 3.09Å; R92-G95 PolarHBondContact O-N 3.19Å
93S41.3Very low59.3Low75 Ų7561.8 Ų61.852%0.52433%0.328SS..Hα-helixtrans-64.5-44.1171.355.60000110.7Q89 Q90 G95 E445Q89-S93 PolarHBondContact O-N 3Å; Q89-S93 PolarHBondContact O-OG 3.43Å; Q90-S93 WeakPolarHBondContact CA-OG 3.34Å; Q90-S93 PolarHBondContact O-OG 3.17Å; S93-G95 PolarHBondContact O-N 3.24Å; S93-E445 WeakPolarHBondContact CB-OE2 3.1Å; S93-E445 PolarHBondContact OG-OE2 3.01Å
94A42.8Very low60.4Low40 Ų4062.8 Ų62.833%0.33133%0.33SS..THydrogen-bonded Turntrans-71.117.2177.100000114.5Q90 V96 E445Q90-A94 WeakPolarHBondContact O-CB 3.4Å; Q90-A94 PolarHBondContact O-N 2.98Å; A94-V96 HydrophobicContact CB-CG2 4.32Å; A94-V96 WeakPolarHBondContact O-CG2 3.3Å; A94-V96 PolarHBondContact O-N 3.46Å; A94-E445 WeakPolarHBondContact CA-OE2 3.4Å; A94-E445 WeakPolarHBondContact CB-OE2 3.14Å; A94-E445 PolarHBondContact N-OE2 3.26Å
95G39.8Very low60.7Low59 Ų5965.6 Ų65.661%0.60835%0.353SS*.THydrogen-bonded Turntrans68.2-6.4-178.300000116R92 S93 P97R92-G95 PolarHBondContact O-N 3.19Å; S93-G95 PolarHBondContact O-N 3.24Å; G95-P97 WeakPolarHBondContact O-CD 3.26Å
96V50.7Low61.1Low63 Ų6363.3 Ų63.338%0.38235%0.346SS..  trans-72.6125.7-171.7-173.70000111.1K91 A94 V98K91-V96 WeakPolarHBondContact O-CA 3.26Å; K91-V96 WeakPolarHBondContact O-CB 3.38Å; K91-V96 PolarHBondContact O-N 3.15Å; A94-V96 HydrophobicContact CB-CG2 4.32Å; A94-V96 WeakPolarHBondContact O-CG2 3.3Å; A94-V96 PolarHBondContact O-N 3.46Å; V96-V98 PolarHBondContact O-N 3.03Å
97P50.6Low62.3Low95 Ų9558 Ų5862%0.61732%0.32SS*.  trans-75.2112.3174.629.2-32.8000110.9G95G95-P97 WeakPolarHBondContact O-CD 3.26Å
98V62.2Low62.5Low19 Ų1959.4 Ų59.412%0.11533%0.329CS..  trans-90.6117.5-180-169.30000111.8W87 Y88 K91 V96 E102 L103W87-V98 HydrophobicContact CH2-CG1 3.91Å; W87-V98 HydrophobicContact CZ3-CG1 3.7Å; Y88-V98 HydrophobicContact CD2-CB 3.88Å; Y88-V98 HydrophobicContact CD2-CG1 4.14Å; Y88-V98 HydrophobicContact CD2-CG2 4.07Å; Y88-V98 HydrophobicContact CE2-CB 4.02Å; Y88-V98 HydrophobicContact CE2-CG2 4.38Å; K91-V98 HydrophobicContact CB-CG2 3.35Å; K91-V98 HydrophobicContact CG-CG2 4.21Å; V96-V98 PolarHBondContact O-N 3.03Å; V98-E102 WeakPolarHBondContact CA-OE2 3.28Å; V98-E102 HydrophobicContact CG1-CB 3.99Å; V98-L103 HydrophobicContact CG1-CD2 4.28Å; V98-L103 HydrophobicContact CG1-CG 3.93Å
99R68.3Low63Low164 Ų16462.5 Ų62.562%0.61934%0.34SS*.  trans-81.8164178.7-61.2-179.4-67.8176.5-0.6111.7V101 E102 L103R99-V101 VanDerWaalsContact C-N 3.33Å; R99-V101 HydrophobicContact CB-CG2 4.2Å; R99-V101 PolarHBondContact O-N 3.08Å; R99-E102 HydrophobicContact CB-CG 4.46Å; R99-E102 IonicContact CZ-OE1 2.96Å; R99-E102 PolarHBondContact N-OE2 3.23Å; R99-E102 IonicContact NE-OE1 3Å; R99-E102 PolarHBondContact NE-OE1 3.25Å; R99-E102 IonicContact NE-OE2 2.71Å; R99-E102 IonicContact NH2-OE1 3.2Å; R99-E102 PolarHBondContact NH2-OE1 3.01Å; R99-E102 PolarHBondContact O-N 3.19Å; R99-L103 PolarHBondContact O-N 3.46Å
100G63.2Low63.8Low14 Ų1461.3 Ų61.314%0.14433%0.334CS..Hα-helixtrans-61.2-40.8-178.900000113.2E102 L103 Q104 R130G100-E102 VanDerWaalsContact C-N 3.28Å; G100-E102 PolarHBondContact O-N 2.86Å; G100-L103 WeakPolarHBondContact O-CB 3.43Å; G100-L103 PolarHBondContact O-N 3.39Å; G100-Q104 WeakPolarHBondContact O-CG 3.39Å; G100-Q104 PolarHBondContact O-N 3.02Å; G100-Q104 VanDerWaalsContact O-N 3.07Å; G100-Q104 PolarHBondContact O-OE1 2.85Å; G100-R130 VanDerWaalsContact CA-NH2 3.27Å
101V71.4Confident65.1Low94 Ų9458.2 Ų58.257%0.5732%0.32SS*.Hα-helixtrans-64.5-31.2177.1-64.50000112.9R99 Q104 A105R99-V101 VanDerWaalsContact C-N 3.33Å; R99-V101 HydrophobicContact CB-CG2 4.2Å; R99-V101 PolarHBondContact O-N 3.08Å; V101-Q104 PolarHBondContact O-N 2.87Å; V101-A105 WeakPolarHBondContact O-CB 3.39Å; V101-A105 PolarHBondContact O-N 3.31Å
102E76Confident65.8Low53 Ų5361.6 Ų61.625%0.24834%0.337CS..Hα-helixtrans-75.7-38.3178.3-70.9154.2-17000111.4W87 V98 R99 G100 Q104 A105 A106W87-E102 HydrophobicContact CH2-CB 4.23Å; V98-E102 WeakPolarHBondContact CA-OE2 3.28Å; V98-E102 HydrophobicContact CG1-CB 3.99Å; R99-E102 HydrophobicContact CB-CG 4.46Å; R99-E102 IonicContact CZ-OE1 2.96Å; R99-E102 PolarHBondContact N-OE2 3.23Å; R99-E102 IonicContact NE-OE1 3Å; R99-E102 PolarHBondContact NE-OE1 3.25Å; R99-E102 IonicContact NE-OE2 2.71Å; R99-E102 IonicContact NH2-OE1 3.2Å; R99-E102 PolarHBondContact NH2-OE1 3.01Å; R99-E102 PolarHBondContact O-N 3.19Å; G100-E102 VanDerWaalsContact C-N 3.28Å; G100-E102 PolarHBondContact O-N 2.86Å; E102-Q104 VanDerWaalsContact C-N 3.29Å; E102-Q104 PolarHBondContact O-N 2.89Å; E102-A105 PolarHBondContact O-N 2.91Å; E102-A106 VanDerWaalsContact O-CB 3.3Å; E102-A106 WeakPolarHBondContact O-CB 3.21Å; E102-A106 PolarHBondContact O-N 2.83Å
103L80.1Confident66.2Low0 Ų060 Ų600%034%0.344CS..Hα-helixtrans-60-39.1168.5-77.8170.2000112.2V84 W87 Y88 V98 R99 G100 A107 L126 F129 R130 I135V84-L103 HydrophobicContact CG1-CD2 3.79Å; W87-L103 HydrophobicContact CE3-CD2 4.49Å; W87-L103 HydrophobicContact CZ3-CD2 4.18Å; Y88-L103 HydrophobicContact CD2-CD1 4.37Å; Y88-L103 HydrophobicContact CD2-CD2 3.78Å; Y88-L103 HydrophobicContact CD2-CG 4.37Å; Y88-L103 HydrophobicContact CG-CD2 4.12Å; V98-L103 HydrophobicContact CG1-CD2 4.28Å; V98-L103 HydrophobicContact CG1-CG 3.93Å; R99-L103 PolarHBondContact O-N 3.46Å; G100-L103 WeakPolarHBondContact O-CB 3.43Å; G100-L103 PolarHBondContact O-N 3.39Å; L103-A107 WeakPolarHBondContact O-CB 3.34Å; L103-A107 PolarHBondContact O-N 2.81Å; L103-L126 HydrophobicContact CB-CD1 3.63Å; L103-L126 HydrophobicContact CD1-CD1 3.78Å; L103-L126 HydrophobicContact CG-CD1 4.37Å; L103-F129 HydrophobicContact CD1-CD1 4.42Å; L103-F129 HydrophobicContact CD1-CE1 4.16Å; L103-F129 HydrophobicContact CD2-CD1 4.44Å; L103-F129 HydrophobicContact CD2-CE1 3.58Å; L103-F129 HydrophobicContact CD2-CZ 4.17Å; L103-F129 HydrophobicContact CG-CE1 4.4Å; L103-R130 HydrophobicContact CD1-CG 4.44Å; L103-I135 HydrophobicContact CD1-CG2 4.38Å
104Q82Confident67.4Low38 Ų3860.8 Ų60.818%0.17834%0.338CS..Hα-helixtrans-68.2-47.6177-68.4170.8-8700111.3G100 V101 E102 A106 A107 E108 A121 L126G100-Q104 WeakPolarHBondContact O-CG 3.39Å; G100-Q104 PolarHBondContact O-N 3.02Å; G100-Q104 VanDerWaalsContact O-N 3.07Å; G100-Q104 PolarHBondContact O-OE1 2.85Å; V101-Q104 PolarHBondContact O-N 2.87Å; E102-Q104 VanDerWaalsContact C-N 3.29Å; E102-Q104 PolarHBondContact O-N 2.89Å; Q104-A106 PolarHBondContact O-N 3.47Å; Q104-A107 WeakPolarHBondContact O-CB 3.48Å; Q104-A107 PolarHBondContact O-N 2.78Å; Q104-A107 VanDerWaalsContact O-N 3.14Å; Q104-E108 PolarHBondContact O-N 3.39Å; Q104-A121 HydrophobicContact CB-CB 3.79Å; Q104-A121 HydrophobicContact CG-CB 4.15Å; Q104-A121 WeakPolarHBondContact CG-O 3.08Å; Q104-A121 PolarHBondContact NE2-O 2.77Å; Q104-A121 VanDerWaalsContact O-CB 3.29Å; Q104-A121 WeakPolarHBondContact O-CB 3.47Å; Q104-L126 HydrophobicContact CG-CB 3.98Å; Q104-L126 HydrophobicContact CG-CD1 4.31Å; Q104-L126 HydrophobicContact CG-CD2 4.02Å; Q104-L126 HydrophobicContact CG-CG 4.31Å
105A73.4Confident68.8Low59 Ų5961.5 Ų61.549%0.48835%0.348SS..Hα-helixtrans-61.7-40.517700000112.8V101 E102 A107 E108 R109V101-A105 WeakPolarHBondContact O-CB 3.39Å; V101-A105 PolarHBondContact O-N 3.31Å; E102-A105 PolarHBondContact O-N 2.91Å; A105-A107 VanDerWaalsContact C-N 3.34Å; A105-E108 PolarHBondContact O-N 2.89Å; A105-R109 WeakPolarHBondContact O-CB 3.46Å; A105-R109 PolarHBondContact O-N 3.27Å; A105-R109 VanDerWaalsContact O-N 3.08Å
106A72.8Confident70.6Confident8 Ų863.7 Ų63.77%0.06634%0.339CS..Hα-helixtrans-61.5-42.5173.200000111.5V84 W87 E102 Q104 R109 F110V84-A106 HydrophobicContact CG1-CB 4.44Å; W87-A106 HydrophobicContact CD2-CB 3.88Å; W87-A106 HydrophobicContact CE3-CB 3.58Å; W87-A106 HydrophobicContact CH2-CB 3.88Å; W87-A106 HydrophobicContact CZ2-CB 4.15Å; W87-A106 HydrophobicContact CZ3-CB 3.58Å; E102-A106 VanDerWaalsContact O-CB 3.3Å; E102-A106 WeakPolarHBondContact O-CB 3.21Å; E102-A106 PolarHBondContact O-N 2.83Å; Q104-A106 PolarHBondContact O-N 3.47Å; A106-R109 PolarHBondContact O-N 2.9Å; A106-F110 HydrophobicContact CB-CD2 4.47Å; A106-F110 HydrophobicContact CB-CE2 4.33Å; A106-F110 WeakPolarHBondContact O-CD2 3.41Å; A106-F110 PolarHBondContact O-N 3.27Å
107A78.9Confident71.8Confident0 Ų067.5 Ų67.50%036%0.362CS..Hα-helixtrans-65.5-39.8179.200000113.4V80 V84 L103 Q104 A105 F110 A111 F119 A121 W125V80-A107 HydrophobicContact CG1-CB 4.3Å; V80-A107 WeakPolarHBondContact CG1-O 3.49Å; V84-A107 HydrophobicContact CG2-CB 3.6Å; L103-A107 WeakPolarHBondContact O-CB 3.34Å; L103-A107 PolarHBondContact O-N 2.81Å; Q104-A107 WeakPolarHBondContact O-CB 3.48Å; Q104-A107 PolarHBondContact O-N 2.78Å; Q104-A107 VanDerWaalsContact O-N 3.14Å; A105-A107 VanDerWaalsContact C-N 3.34Å; A107-F110 PolarHBondContact O-N 3.5Å; A107-A111 WeakPolarHBondContact O-CB 3.27Å; A107-A111 PolarHBondContact O-N 2.87Å; A107-F119 HydrophobicContact CB-CE1 3.82Å; A107-F119 HydrophobicContact CB-CZ 3.92Å; A107-A121 HydrophobicContact CB-CB 4.02Å; A107-W125 HydrophobicContact CB-CE3 4.29Å; A107-W125 HydrophobicContact CB-CH2 3.31Å; A107-W125 HydrophobicContact CB-CZ2 3.83Å; A107-W125 HydrophobicContact CB-CZ3 3.55Å
108E79.7Confident73.3Confident86 Ų8667.4 Ų67.440%0.40236%0.356SS..Hα-helixtrans-67.7-38175.2-65.1-175.4165.100111.5Q104 A105 A111 Q112 F119 A121Q104-E108 PolarHBondContact O-N 3.39Å; A105-E108 PolarHBondContact O-N 2.89Å; E108-A111 PolarHBondContact O-N 3.03Å; E108-Q112 VanDerWaalsContact O-CG 3.29Å; E108-Q112 WeakPolarHBondContact O-CG 3.25Å; E108-Q112 PolarHBondContact O-N 3.49Å; E108-F119 HydrophobicContact CG-CE1 4.46Å; E108-A121 HydrophobicContact CG-CB 3.52Å; E108-A121 PolarHBondContact OE1-N 2.9Å; E108-A121 VanDerWaalsContact OE1-N 3.1Å
109R75.1Confident74.3Confident104 Ų10467.3 Ų67.339%0.39235%0.354SS..Hα-helixtrans-62.7-48.1173.2179.5172.6168.9176.8-7.6112.3A105 A106 Q112 C113 C449A105-R109 WeakPolarHBondContact O-CB 3.46Å; A105-R109 PolarHBondContact O-N 3.27Å; A105-R109 VanDerWaalsContact O-N 3.08Å; A106-R109 PolarHBondContact O-N 2.9Å; R109-Q112 PolarHBondContact O-N 3.01Å; R109-C113 PolarHBondContact O-N 2.88Å; R109-C113 PolarHBondContact O-SG 2.91Å; R109-C449 PolarHBondContact NH2-O 3.02Å
110F68.7Low75.1Confident47 Ų4767.4 Ų67.421%0.20636%0.359CS..Hα-helixtrans-66.3-38.2177.2-72.1-59.1000112.2V80 A83 V84 W87 A106 A107 Q112 C113 F114V80-F110 HydrophobicContact CG1-CB 4.42Å; A83-F110 HydrophobicContact CB-CB 4.32Å; A83-F110 HydrophobicContact CB-CD1 4Å; A83-F110 HydrophobicContact CB-CD2 4.19Å; A83-F110 HydrophobicContact CB-CE1 4.36Å; A83-F110 HydrophobicContact CB-CG 3.92Å; V84-F110 HydrophobicContact CG2-CD2 3.67Å; V84-F110 HydrophobicContact CG2-CE2 4.4Å; W87-F110 HydrophobicContact CB-CE2 3.74Å; W87-F110 HydrophobicContact CB-CZ 3.97Å; W87-F110 AromaticContact CG-CE2 3.96Å; W87-F110 HydrophobicContact CG-CE2 3.96Å; W87-F110 HydrophobicContact CG-CZ 4.2Å; A106-F110 HydrophobicContact CB-CD2 4.47Å; A106-F110 HydrophobicContact CB-CE2 4.33Å; A106-F110 WeakPolarHBondContact O-CD2 3.41Å; A106-F110 PolarHBondContact O-N 3.27Å; A107-F110 PolarHBondContact O-N 3.5Å; F110-Q112 VanDerWaalsContact C-N 3.35Å; F110-Q112 PolarHBondContact O-N 3.46Å; F110-C113 PolarHBondContact O-N 3.44Å; F110-F114 HydrophobicContact CB-CD2 4.47Å; F110-F114 HydrophobicContact CB-CE2 4.07Å; F110-F114 HydrophobicContact CD1-CZ 4.4Å; F110-F114 WeakPolarHBondContact O-CD2 3.39Å; F110-F114 VanDerWaalsContact O-CG 3.27Å; F110-F114 WeakPolarHBondContact O-CG 3.35Å; F110-F114 PolarHBondContact O-N 3.21Å
111A75.9Confident76.1Confident2 Ų266.9 Ų66.92%0.01735%0.353CS..Hα-helixtrans-58.9-43.5172.900000112.5V80 A107 E108 F114 G115 R116 F119V80-A111 HydrophobicContact CG1-CB 4.29Å; V80-A111 HydrophobicContact CG2-CB 3.96Å; A107-A111 WeakPolarHBondContact O-CB 3.27Å; A107-A111 PolarHBondContact O-N 2.87Å; E108-A111 PolarHBondContact O-N 3.03Å; A111-F114 CarbonylContact O-C 3.49Å; A111-F114 PolarHBondContact O-N 3.35Å; A111-G115 PolarHBondContact O-N 3.09Å; A111-G115 VanDerWaalsContact O-N 3.11Å; A111-R116 HydrophobicContact CB-CB 4.08Å; A111-R116 PolarHBondContact O-N 3.33Å; A111-F119 HydrophobicContact CB-CB 3.75Å; A111-F119 HydrophobicContact CB-CD1 3.33Å; A111-F119 HydrophobicContact CB-CE1 4.09Å; A111-F119 HydrophobicContact CB-CG 3.7Å
112Q74.1Confident76.5Confident152 Ų15265.2 Ų65.271%0.7135%0.346SS*.Hα-helixtrans-62.8-45.6173.6-71.6169.712.900111.8E108 R109 F110 F114 G115E108-Q112 VanDerWaalsContact O-CG 3.29Å; E108-Q112 WeakPolarHBondContact O-CG 3.25Å; E108-Q112 PolarHBondContact O-N 3.49Å; R109-Q112 PolarHBondContact O-N 3.01Å; F110-Q112 VanDerWaalsContact C-N 3.35Å; F110-Q112 PolarHBondContact O-N 3.46Å; Q112-F114 PolarHBondContact O-N 2.74Å; Q112-G115 PolarHBondContact O-N 2.89Å; Q112-G115 VanDerWaalsContact O-N 3.08Å
113C64.2Low76.2Confident89 Ų8968 Ų6860%0.60137%0.367SS*.Hα-helixtrans-60.7-28.7176.1-67.60000113.5R109 F110R109-C113 PolarHBondContact O-N 2.88Å; R109-C113 PolarHBondContact O-SG 2.91Å; F110-C113 PolarHBondContact O-N 3.44Å
114F65Low75.8Confident91 Ų9169.7 Ų69.740%0.39938%0.384SS..THydrogen-bonded Turntrans-97.711.4176.7-54.6-32.6000113.7D79 V80 A83 F110 A111 Q112 R116D79-F114 HydrophobicContact CB-CD2 4.02Å; D79-F114 HydrophobicContact CB-CE2 4.33Å; D79-F114 WeakPolarHBondContact O-CE2 3.39Å; V80-F114 HydrophobicContact CG2-CD2 3.97Å; A83-F114 HydrophobicContact CB-CE2 3.7Å; A83-F114 HydrophobicContact CB-CZ 3.87Å; F110-F114 HydrophobicContact CB-CD2 4.47Å; F110-F114 HydrophobicContact CB-CE2 4.07Å; F110-F114 HydrophobicContact CD1-CZ 4.4Å; F110-F114 WeakPolarHBondContact O-CD2 3.39Å; F110-F114 VanDerWaalsContact O-CG 3.27Å; F110-F114 WeakPolarHBondContact O-CG 3.35Å; F110-F114 PolarHBondContact O-N 3.21Å; A111-F114 CarbonylContact O-C 3.49Å; A111-F114 PolarHBondContact O-N 3.35Å; Q112-F114 PolarHBondContact O-N 2.74Å; F114-R116 VanDerWaalsContact C-N 3.25Å; F114-R116 HydrophobicContact CB-CG 4.2Å; F114-R116 PolarHBondContact O-N 3.15Å
115G73.9Confident76Confident54 Ų5469.2 Ų69.256%0.55738%0.381SS*.THydrogen-bonded Turntrans67.817.3177.300000115.3A111 Q112 T117A111-G115 PolarHBondContact O-N 3.09Å; A111-G115 VanDerWaalsContact O-N 3.11Å; Q112-G115 PolarHBondContact O-N 2.89Å; Q112-G115 VanDerWaalsContact O-N 3.08Å; G115-T117 VanDerWaalsContact C-N 3.34Å; G115-T117 PolarHBondContact O-N 2.91Å; G115-T117 VanDerWaalsContact O-N 3.07Å
116R76.2Confident76.1Confident106 Ų10667.1 Ų67.140%0.436%0.361SS..  trans-83.770.9-179.5-55.6-56.6-169.9-174.8-4.5111.1Y77 D79 V80 A111 F114 D118 F119Y77-R116 HydrophobicContact CD1-CB 4.35Å; Y77-R116 HydrophobicContact CD1-CG 4.16Å; D79-R116 IonicContact OD1-NE 2.92Å; D79-R116 IonicContact OD2-CZ 3.92Å; D79-R116 IonicContact OD2-NE 2.58Å; D79-R116 PolarHBondContact OD2-NE 2.6Å; D79-R116 IonicContact OD2-NH2 2.75Å; D79-R116 PolarHBondContact OD2-NH2 3.29Å; V80-R116 HydrophobicContact CG2-CG 4.09Å; A111-R116 HydrophobicContact CB-CB 4.08Å; A111-R116 PolarHBondContact O-N 3.33Å; F114-R116 VanDerWaalsContact C-N 3.25Å; F114-R116 HydrophobicContact CB-CG 4.2Å; F114-R116 PolarHBondContact O-N 3.15Å; R116-D118 PolarHBondContact O-N 2.7Å; R116-F119 HydrophobicContact CB-CB 4.06Å; R116-F119 WeakPolarHBondContact O-CB 3.21Å; R116-F119 PolarHBondContact O-N 3.03Å
117T76.1Confident76Confident142 Ų14272.3 Ų72.387%0.87138%0.382SS*.THydrogen-bonded Turntrans-67-16.6-177.754.60000114.5G115G115-T117 VanDerWaalsContact C-N 3.34Å; G115-T117 PolarHBondContact O-N 2.91Å; G115-T117 VanDerWaalsContact O-N 3.07Å
118D82.2Confident75.6Confident93 Ų9380.7 Ų80.750%0.49741%0.414SS..THydrogen-bonded Turntrans-89.2-6.8176.471.9-42.3000113.7K76 Y77 R116K76-D118 IonicContact NZ-OD2 3.55Å; Y77-D118 WeakPolarHBondContact CE1-OD1 3.32Å; Y77-D118 PolarHBondContact OH-OD2 3.49Å; R116-D118 PolarHBondContact O-N 2.7Å
119F84.3Confident75.3Confident18 Ų1876.6 Ų76.68%0.07940%0.395CS..  trans-76.8139.8178.8-179.7-94.2000112Y77 V80 A107 E108 A111 R116 A121 W125Y77-F119 AromaticContact CD2-CD2 3.53Å; Y77-F119 HydrophobicContact CD2-CD2 3.53Å; Y77-F119 HydrophobicContact CD2-CE2 4.09Å; Y77-F119 AromaticContact CE2-CD2 3.83Å; Y77-F119 HydrophobicContact CE2-CD2 3.83Å; Y77-F119 AromaticContact CG-CD2 3.92Å; Y77-F119 HydrophobicContact CG-CD2 3.92Å; V80-F119 HydrophobicContact CG1-CE1 4.14Å; V80-F119 HydrophobicContact CG1-CE2 4.15Å; V80-F119 HydrophobicContact CG1-CZ 3.89Å; A107-F119 HydrophobicContact CB-CE1 3.82Å; A107-F119 HydrophobicContact CB-CZ 3.92Å; E108-F119 HydrophobicContact CG-CE1 4.46Å; A111-F119 HydrophobicContact CB-CB 3.75Å; A111-F119 HydrophobicContact CB-CD1 3.33Å; A111-F119 HydrophobicContact CB-CE1 4.09Å; A111-F119 HydrophobicContact CB-CG 3.7Å; R116-F119 HydrophobicContact CB-CB 4.06Å; R116-F119 WeakPolarHBondContact O-CB 3.21Å; R116-F119 PolarHBondContact O-N 3.03Å; F119-A121 HydrophobicContact CE1-CB 3.93Å; F119-A121 HydrophobicContact CZ-CB 4.36Å; F119-W125 AromaticContact CE2-CD1 3.72Å; F119-W125 HydrophobicContact CE2-CD2 4.38Å; F119-W125 HydrophobicContact CE2-CG 4.24Å; F119-W125 AromaticContact CE2-NE1 3.58Å; F119-W125 AromaticContact CZ-CD1 3.98Å; F119-W125 AromaticContact CZ-CD2 3.86Å; F119-W125 HydrophobicContact CZ-CD2 3.86Å; F119-W125 AromaticContact CZ-CE2 3.67Å; F119-W125 HydrophobicContact CZ-CE3 4.45Å; F119-W125 HydrophobicContact CZ-CG 4.11Å; F119-W125 HydrophobicContact CZ-CZ2 4.18Å; F119-W125 AromaticContact CZ-NE1 3.7Å
120K84.4Confident75Confident165 Ų16572.9 Ų72.972%0.71738%0.381SS*.  trans-133.9130168.6-67.3-172.4176.1-1750109.6S122K120-S122 PolarHBondContact O-N 3.29Å
121A83Confident74.7Confident3 Ų375.6 Ų75.63%0.02540%0.398CS..  trans-79.35717700000111.4Q104 A107 E108 F119 W125Q104-A121 HydrophobicContact CB-CB 3.79Å; Q104-A121 HydrophobicContact CG-CB 4.15Å; Q104-A121 WeakPolarHBondContact CG-O 3.08Å; Q104-A121 PolarHBondContact NE2-O 2.77Å; Q104-A121 VanDerWaalsContact O-CB 3.29Å; Q104-A121 WeakPolarHBondContact O-CB 3.47Å; A107-A121 HydrophobicContact CB-CB 4.02Å; E108-A121 HydrophobicContact CG-CB 3.52Å; E108-A121 PolarHBondContact OE1-N 2.9Å; E108-A121 VanDerWaalsContact OE1-N 3.1Å; F119-A121 HydrophobicContact CE1-CB 3.93Å; F119-A121 HydrophobicContact CZ-CB 4.36Å; A121-W125 HydrophobicContact CB-CE3 4Å; A121-W125 HydrophobicContact CB-CZ3 4.34Å
122S80.6Confident74.3Confident60 Ų6078.4 Ų78.442%0.4241%0.408SS..  trans-56.7157.717863.50000112.4K120 G124 W125 L126K120-S122 PolarHBondContact O-N 3.29Å; S122-G124 PolarHBondContact O-N 3.31Å; S122-W125 WeakPolarHBondContact O-CA 3.48Å; S122-W125 WeakPolarHBondContact O-CB 3.3Å; S122-W125 PolarHBondContact O-N 2.86Å; S122-W125 PolarHBondContact OG-N 3.1Å; S122-W125 VanDerWaalsContact OG-N 3.1Å; S122-L126 PolarHBondContact O-N 3Å
123T69.8Low73.7Confident112 Ų11272.2 Ų72.269%0.68738%0.379SS*.Hα-helixtrans-54-36.4172.151.10000112.3L126 F127T123-L126 PolarHBondContact O-N 3.33Å; T123-F127 WeakPolarHBondContact O-CB 3.33Å; T123-F127 PolarHBondContact O-N 2.66Å
124G70.8Confident73.3Confident34 Ų3471.9 Ų71.935%0.35138%0.382SS..Hα-helixtrans-68.5-34.1173.600000114.2S122 R128S122-G124 PolarHBondContact O-N 3.31Å; G124-R128 VanDerWaalsContact O-CG 3.28Å; G124-R128 WeakPolarHBondContact O-CG 3.3Å; G124-R128 PolarHBondContact O-N 3.39Å
125W86.3Confident73.2Confident28 Ų2868 Ų6811%0.10637%0.366CS..Hα-helixtrans-66.6-48.9169.8173.288000110.6V84 A107 F119 A121 S122 F127 R128 F129V84-W125 HydrophobicContact CG1-CH2 4.17Å; V84-W125 HydrophobicContact CG2-CH2 4.4Å; A107-W125 HydrophobicContact CB-CE3 4.29Å; A107-W125 HydrophobicContact CB-CH2 3.31Å; A107-W125 HydrophobicContact CB-CZ2 3.83Å; A107-W125 HydrophobicContact CB-CZ3 3.55Å; F119-W125 AromaticContact CE2-CD1 3.72Å; F119-W125 HydrophobicContact CE2-CD2 4.38Å; F119-W125 HydrophobicContact CE2-CG 4.24Å; F119-W125 AromaticContact CE2-NE1 3.58Å; F119-W125 AromaticContact CZ-CD1 3.98Å; F119-W125 AromaticContact CZ-CD2 3.86Å; F119-W125 HydrophobicContact CZ-CD2 3.86Å; F119-W125 AromaticContact CZ-CE2 3.67Å; F119-W125 HydrophobicContact CZ-CE3 4.45Å; F119-W125 HydrophobicContact CZ-CG 4.11Å; F119-W125 HydrophobicContact CZ-CZ2 4.18Å; F119-W125 AromaticContact CZ-NE1 3.7Å; A121-W125 HydrophobicContact CB-CE3 4Å; A121-W125 HydrophobicContact CB-CZ3 4.34Å; S122-W125 WeakPolarHBondContact O-CA 3.48Å; S122-W125 WeakPolarHBondContact O-CB 3.3Å; S122-W125 PolarHBondContact O-N 2.86Å; S122-W125 PolarHBondContact OG-N 3.1Å; S122-W125 VanDerWaalsContact OG-N 3.1Å; W125-F127 VanDerWaalsContact C-N 3.34Å; W125-F127 PolarHBondContact O-N 2.94Å; W125-R128 CarbonylContact O-C 3.57Å; W125-R128 PolarHBondContact O-N 3.23Å; W125-F129 HydrophobicContact CD2-CB 4.36Å; W125-F129 HydrophobicContact CE3-CB 4.49Å; W125-F129 HydrophobicContact CH2-CB 3.92Å; W125-F129 HydrophobicContact CH2-CD1 4.18Å; W125-F129 AromaticContact CH2-CD2 3.69Å; W125-F129 HydrophobicContact CH2-CD2 3.69Å; W125-F129 HydrophobicContact CH2-CE2 4.27Å; W125-F129 AromaticContact CH2-CG 3.64Å; W125-F129 HydrophobicContact CH2-CG 3.64Å; W125-F129 HydrophobicContact CZ2-CB 3.83Å; W125-F129 AromaticContact CZ2-CD2 3.47Å; W125-F129 HydrophobicContact CZ2-CD2 3.47Å; W125-F129 VanDerWaalsContact CZ2-CD2 3.47Å; W125-F129 HydrophobicContact CZ2-CE2 4.24Å; W125-F129 AromaticContact CZ2-CG 3.75Å; W125-F129 HydrophobicContact CZ2-CG 3.75Å; W125-F129 HydrophobicContact CZ3-CB 4.28Å; W125-F129 HydrophobicContact CZ3-CG 4.33Å; W125-F129 WeakPolarHBondContact O-CB 3.39Å; W125-F129 PolarHBondContact O-N 3.14Å
126L76.7Confident72Confident16 Ų1668 Ų688%0.08437%0.365CS..Hα-helixtrans-56.5-46.1179.4175.666.6000111.7L103 Q104 S122 T123 R128 F129 R130L103-L126 HydrophobicContact CB-CD1 3.63Å; L103-L126 HydrophobicContact CD1-CD1 3.78Å; L103-L126 HydrophobicContact CG-CD1 4.37Å; Q104-L126 HydrophobicContact CG-CB 3.98Å; Q104-L126 HydrophobicContact CG-CD1 4.31Å; Q104-L126 HydrophobicContact CG-CD2 4.02Å; Q104-L126 HydrophobicContact CG-CG 4.31Å; S122-L126 PolarHBondContact O-N 3Å; T123-L126 PolarHBondContact O-N 3.33Å; L126-R128 VanDerWaalsContact C-N 3.34Å; L126-R128 PolarHBondContact O-N 2.99Å; L126-F129 PolarHBondContact O-N 3.03Å; L126-R130 HydrophobicContact CD1-CG 4.17Å; L126-R130 VanDerWaalsContact O-CB 3.32Å; L126-R130 WeakPolarHBondContact O-CB 3.47Å; L126-R130 WeakPolarHBondContact O-CG 3.27Å; L126-R130 PolarHBondContact O-N 3.44Å
127F70.6Confident70.3Confident116 Ų11667.9 Ų67.951%0.50937%0.373SS..Hα-helixtrans-59.1-43.3176.5178.5-101.8000112.2T123 W125 N131T123-F127 WeakPolarHBondContact O-CB 3.33Å; T123-F127 PolarHBondContact O-N 2.66Å; W125-F127 VanDerWaalsContact C-N 3.34Å; W125-F127 PolarHBondContact O-N 2.94Å; F127-N131 WeakPolarHBondContact CE1-ND2 3.37Å; F127-N131 WeakPolarHBondContact CZ-ND2 3.35Å; F127-N131 WeakPolarHBondContact O-CB 3.49Å; F127-N131 VanDerWaalsContact O-CG 3.26Å; F127-N131 PolarHBondContact O-N 2.93Å; F127-N131 PolarHBondContact O-ND2 2.91Å
128R70.4Confident68.5Low177 Ų17767.7 Ų67.767%0.66836%0.356SS*.Hα-helixtrans-71.8-36.8178.3-70.3174.2-177-171.43.5112.7G124 W125 L126 R132G124-R128 VanDerWaalsContact O-CG 3.28Å; G124-R128 WeakPolarHBondContact O-CG 3.3Å; G124-R128 PolarHBondContact O-N 3.39Å; W125-R128 CarbonylContact O-C 3.57Å; W125-R128 PolarHBondContact O-N 3.23Å; L126-R128 VanDerWaalsContact C-N 3.34Å; L126-R128 PolarHBondContact O-N 2.99Å; R128-R132 VanDerWaalsContact O-CG 3.32Å; R128-R132 WeakPolarHBondContact O-CG 3.48Å; R128-R132 PolarHBondContact O-N 3.03Å; R128-R132 VanDerWaalsContact O-N 3.17Å; R128-R132 PolarHBondContact O-NE 3.44Å
129F72.8Confident66.1Low0 Ų072.9 Ų72.90%037%0.374CS..Hα-helixtrans-59.4-53.6172.1173.9-93.1000110.2D81 V84 L103 W125 L126 N131 R132 H133 I135D81-F129 WeakPolarHBondContact O-CE2 3.2Å; V84-F129 HydrophobicContact CB-CE2 3.8Å; V84-F129 HydrophobicContact CB-CZ 3.93Å; V84-F129 HydrophobicContact CG1-CE1 4.11Å; V84-F129 HydrophobicContact CG1-CE2 3.87Å; V84-F129 HydrophobicContact CG1-CZ 3.54Å; L103-F129 HydrophobicContact CD1-CD1 4.42Å; L103-F129 HydrophobicContact CD1-CE1 4.16Å; L103-F129 HydrophobicContact CD2-CD1 4.44Å; L103-F129 HydrophobicContact CD2-CE1 3.58Å; L103-F129 HydrophobicContact CD2-CZ 4.17Å; L103-F129 HydrophobicContact CG-CE1 4.4Å; W125-F129 HydrophobicContact CD2-CB 4.36Å; W125-F129 HydrophobicContact CE3-CB 4.49Å; W125-F129 HydrophobicContact CH2-CB 3.92Å; W125-F129 HydrophobicContact CH2-CD1 4.18Å; W125-F129 AromaticContact CH2-CD2 3.69Å; W125-F129 HydrophobicContact CH2-CD2 3.69Å; W125-F129 HydrophobicContact CH2-CE2 4.27Å; W125-F129 AromaticContact CH2-CG 3.64Å; W125-F129 HydrophobicContact CH2-CG 3.64Å; W125-F129 HydrophobicContact CZ2-CB 3.83Å; W125-F129 AromaticContact CZ2-CD2 3.47Å; W125-F129 HydrophobicContact CZ2-CD2 3.47Å; W125-F129 VanDerWaalsContact CZ2-CD2 3.47Å; W125-F129 HydrophobicContact CZ2-CE2 4.24Å; W125-F129 AromaticContact CZ2-CG 3.75Å; W125-F129 HydrophobicContact CZ2-CG 3.75Å; W125-F129 HydrophobicContact CZ3-CB 4.28Å; W125-F129 HydrophobicContact CZ3-CG 4.33Å; W125-F129 WeakPolarHBondContact O-CB 3.39Å; W125-F129 PolarHBondContact O-N 3.14Å; L126-F129 PolarHBondContact O-N 3.03Å; F129-N131 PolarHBondContact O-N 2.7Å; F129-R132 VanDerWaalsContact CA-NH2 3.26Å; F129-R132 PolarHBondContact O-N 3.39Å; F129-H133 AromaticContact CD2-CD2 3.56Å; F129-H133 AromaticContact CD2-NE2 3.96Å; F129-H133 AromaticContact CE2-CD2 3.37Å; F129-H133 WeakPolarHBondContact CE2-CD2 3.34Å; F129-H133 AromaticContact CE2-NE2 3.72Å; F129-H133 AromaticContact CZ-CD2 3.78Å; F129-H133 PolarHBondContact O-CD2 2.76Å; F129-H133 PolarHBondContact O-N 3.35Å; F129-H133 VanDerWaalsContact O-N 3.15Å; F129-I135 HydrophobicContact CD1-CD1 4.18Å; F129-I135 HydrophobicContact CE1-CD1 3.44Å; F129-I135 VanDerWaalsContact CE1-CD1 3.44Å; F129-I135 HydrophobicContact CZ-CD1 4.09Å
130R70.3Confident63.8Low25 Ų2576.2 Ų76.29%0.09441%0.414CS..Hα-helixtrans-54.2-47.5177.2-79.3-170.6162.8165.9-7113.3G100 L103 L126 R132 H133 A134 I135 N137G100-R130 VanDerWaalsContact CA-NH2 3.27Å; L103-R130 HydrophobicContact CD1-CG 4.44Å; L126-R130 HydrophobicContact CD1-CG 4.17Å; L126-R130 VanDerWaalsContact O-CB 3.32Å; L126-R130 WeakPolarHBondContact O-CB 3.47Å; L126-R130 WeakPolarHBondContact O-CG 3.27Å; L126-R130 PolarHBondContact O-N 3.44Å; R130-R132 VanDerWaalsContact C-N 3.32Å; R130-R132 PolarHBondContact O-N 3.28Å; R130-H133 PolarHBondContact O-N 3.3Å; R130-A134 PolarHBondContact O-N 3.07Å; R130-I135 HydrophobicContact CB-CB 4.27Å; R130-I135 VanDerWaalsContact CB-O 3.27Å; R130-I135 WeakPolarHBondContact CB-O 3.41Å; R130-I135 HydrophobicContact CG-CB 3.97Å; R130-I135 HydrophobicContact CG-CG2 3.97Å; R130-I135 PolarHBondContact O-N 3.45Å; R130-N137 WeakPolarHBondContact CD-OD1 3.38Å; R130-N137 PolarHBondContact NH1-OD1 2.83Å
131N62.2Low61.1Low105 Ų10571 Ų7156%0.56140%0.397SS*.Hα-helixtrans-68.8-23.8178.3-69.5-17.4000114.7F127 F129F127-N131 WeakPolarHBondContact CE1-ND2 3.37Å; F127-N131 WeakPolarHBondContact CZ-ND2 3.35Å; F127-N131 WeakPolarHBondContact O-CB 3.49Å; F127-N131 VanDerWaalsContact O-CG 3.26Å; F127-N131 PolarHBondContact O-N 2.93Å; F127-N131 PolarHBondContact O-ND2 2.91Å; F129-N131 PolarHBondContact O-N 2.7Å
132R67.5Low58.5Low60 Ų6072.3 Ų72.323%0.22641%0.411CS..Hα-helixtrans-81.4-28.4177.4-78.4174.4-67.1142.71112.9D81 R128 F129 R130D81-R132 IonicContact OD1-CZ 2.86Å; D81-R132 IonicContact OD1-NH1 3.92Å; D81-R132 PolarHBondContact OD1-NH1 2.99Å; D81-R132 IonicContact OD1-NH2 2.62Å; D81-R132 PolarHBondContact OD1-NH2 3.31Å; D81-R132 IonicContact OD2-CZ 2.76Å; D81-R132 IonicContact OD2-NH1 3.1Å; D81-R132 PolarHBondContact OD2-NH1 2.89Å; D81-R132 IonicContact OD2-NH2 3.32Å; R128-R132 VanDerWaalsContact O-CG 3.32Å; R128-R132 WeakPolarHBondContact O-CG 3.48Å; R128-R132 PolarHBondContact O-N 3.03Å; R128-R132 VanDerWaalsContact O-N 3.17Å; R128-R132 PolarHBondContact O-NE 3.44Å; F129-R132 VanDerWaalsContact CA-NH2 3.26Å; F129-R132 PolarHBondContact O-N 3.39Å; R130-R132 VanDerWaalsContact C-N 3.32Å; R130-R132 PolarHBondContact O-N 3.28Å
133H60.6Low56.1Low23 Ų2376.3 Ų76.311%0.10642%0.423CS..THydrogen-bonded Turntrans-109.913.2-175.5-66.2-53.1000113.4D81 Y85 F129 R130 I135D81-H133 IonicContact OD2-CD2 2.93Å; D81-H133 IonicContact OD2-CE1 3.2Å; D81-H133 IonicContact OD2-NE2 3.87Å; D81-H133 PolarHBondContact OD2-NE2 2.7Å; Y85-H133 AromaticContact CD1-CE1 3.68Å; Y85-H133 AromaticContact CD1-ND1 3.42Å; Y85-H133 WeakPolarHBondContact CD1-ND1 3.46Å; Y85-H133 HydrophobicContact CD2-CB 3.56Å; Y85-H133 AromaticContact CD2-CG 3.53Å; Y85-H133 AromaticContact CD2-ND1 3.74Å; Y85-H133 AromaticContact CE1-ND1 3.7Å; Y85-H133 HydrophobicContact CE2-CB 3.56Å; Y85-H133 AromaticContact CE2-CG 3.92Å; Y85-H133 HydrophobicContact CG-CB 4.18Å; Y85-H133 AromaticContact CG-CE1 3.65Å; Y85-H133 AromaticContact CG-CG 3.62Å; Y85-H133 AromaticContact CG-ND1 3.42Å; Y85-H133 AromaticContact CZ-ND1 3.98Å; F129-H133 AromaticContact CD2-CD2 3.56Å; F129-H133 AromaticContact CD2-NE2 3.96Å; F129-H133 AromaticContact CE2-CD2 3.37Å; F129-H133 WeakPolarHBondContact CE2-CD2 3.34Å; F129-H133 AromaticContact CE2-NE2 3.72Å; F129-H133 AromaticContact CZ-CD2 3.78Å; F129-H133 PolarHBondContact O-CD2 2.76Å; F129-H133 PolarHBondContact O-N 3.35Å; F129-H133 VanDerWaalsContact O-N 3.15Å; R130-H133 PolarHBondContact O-N 3.3Å; H133-I135 HydrophobicContact CB-CD1 3.84Å; H133-I135 HydrophobicContact CB-CG1 3.97Å; H133-I135 WeakPolarHBondContact O-CG1 3.3Å; H133-I135 PolarHBondContact O-N 3.36Å; H133-I135 VanDerWaalsContact O-N 3.15Å
134A55.6Low54.3Low81 Ų8179 Ų7967%0.66943%0.428SS*.THydrogen-bonded Turntrans54.128.1-178.400000115.4R130 G136R130-A134 PolarHBondContact O-N 3.07Å; A134-G136 PolarHBondContact O-N 3.06Å
135I64Low52.5Low10 Ų1081.9 Ų81.95%0.05144%0.438CS..  trans-85.2106.7-178.1-57.8170.3000109.7Y85 Y88 L103 F129 R130 H133Y85-I135 HydrophobicContact CD2-CD1 4.23Å; Y85-I135 HydrophobicContact CE2-CD1 4.46Å; Y88-I135 HydrophobicContact CD1-CD1 3.46Å; Y88-I135 VanDerWaalsContact CD1-CD1 3.46Å; Y88-I135 HydrophobicContact CD1-CG1 3.93Å; Y88-I135 HydrophobicContact CD2-CD1 4.09Å; Y88-I135 HydrophobicContact CE1-CB 4.46Å; Y88-I135 HydrophobicContact CE1-CD1 3.57Å; Y88-I135 HydrophobicContact CE1-CG1 3.49Å; Y88-I135 VanDerWaalsContact CE1-CG1 3.49Å; Y88-I135 HydrophobicContact CE1-CG2 4.28Å; Y88-I135 HydrophobicContact CE2-CD1 4.16Å; Y88-I135 HydrophobicContact CE2-CG1 4.39Å; Y88-I135 HydrophobicContact CE2-CG2 3.77Å; Y88-I135 HydrophobicContact CG-CD1 3.74Å; L103-I135 HydrophobicContact CD1-CG2 4.38Å; F129-I135 HydrophobicContact CD1-CD1 4.18Å; F129-I135 HydrophobicContact CE1-CD1 3.44Å; F129-I135 VanDerWaalsContact CE1-CD1 3.44Å; F129-I135 HydrophobicContact CZ-CD1 4.09Å; R130-I135 HydrophobicContact CB-CB 4.27Å; R130-I135 VanDerWaalsContact CB-O 3.27Å; R130-I135 WeakPolarHBondContact CB-O 3.41Å; R130-I135 HydrophobicContact CG-CB 3.97Å; R130-I135 HydrophobicContact CG-CG2 3.97Å; R130-I135 PolarHBondContact O-N 3.45Å; H133-I135 HydrophobicContact CB-CD1 3.84Å; H133-I135 HydrophobicContact CB-CG1 3.97Å; H133-I135 WeakPolarHBondContact O-CG1 3.3Å; H133-I135 PolarHBondContact O-N 3.36Å; H133-I135 VanDerWaalsContact O-N 3.15Å
136G48.8Very low50.1Low53 Ų5384.2 Ų84.255%0.54645%0.453SS..  trans-61.7139.6-179.900000114.2A134 R138A134-G136 PolarHBondContact O-N 3.06Å; G136-R138 PolarHBondContact O-N 2.82Å; G136-R138 VanDerWaalsContact O-N 3.14Å
137N39.7Very low48.1Very low104 Ų10486 Ų8656%0.55647%0.466SS*.  trans-70.899.5163.7-83.9-8.4000109.3R130R130-N137 WeakPolarHBondContact CD-OD1 3.38Å; R130-N137 PolarHBondContact NH1-OD1 2.83Å
138R38.7Very low46.4Very low139 Ų13983.6 Ų83.653%0.52546%0.464SS..  trans-106.993166.6-72.7-175.3178.4-175.5-3.3111.7G136 C141 G142G136-R138 PolarHBondContact O-N 2.82Å; G136-R138 VanDerWaalsContact O-N 3.14Å; R138-C141 WeakPolarHBondContact CD-O 3.42Å; R138-C141 PolarHBondContact NE-O 3.18Å; R138-G142 PolarHBondContact NH2-O 2.71Å
139K31.8Very low45.1Very low201 Ų20176.6 Ų76.687%0.87444%0.441SS*.SBend-76.4149.7123.2-87.6-173.6170.9-174.10105.8C141K139-C141 PolarHBondContact O-N 3.22Å; K139-C141 VanDerWaalsContact O-N 3.12Å
140G34.9Very low44.2Very low88 Ų8878.8 Ų78.891%0.90746%0.456SS*.SBendtrans-36.3110.2-162.900000116.2
141C27.2Very low43.8Very low56 Ų5683.5 Ų83.538%0.37848%0.479SS..  trans-166.4103.5158.7179.50000107.5R138 K139 E143R138-C141 WeakPolarHBondContact CD-O 3.42Å; R138-C141 PolarHBondContact NE-O 3.18Å; K139-C141 PolarHBondContact O-N 3.22Å; K139-C141 VanDerWaalsContact O-N 3.12Å; C141-E143 VanDerWaalsContact C-N 3.29Å
142G30.4Very low44.3Very low30 Ų3082.4 Ų82.431%0.30947%0.473SS..  trans-73.1-24.7175.300000112.9R138 Q144 L146R138-G142 PolarHBondContact NH2-O 2.71Å; G142-Q144 PolarHBondContact O-N 2.78Å; G142-L146 WeakPolarHBondContact O-CB 3.48Å; G142-L146 WeakPolarHBondContact O-CD1 3.4Å; G142-L146 WeakPolarHBondContact O-CG 3.48Å; G142-L146 PolarHBondContact O-N 3.13Å
143E30.2Very low45Very low144 Ų14479.8 Ų79.867%0.67346%0.464SS*.Hα-helixtrans-73-35.3-150.7-69.5153.211700115.4C141 V145 L146 S147C141-E143 VanDerWaalsContact C-N 3.29Å; E143-V145 PolarHBondContact O-N 3.39Å; E143-L146 CarbonylContact O-C 3.43Å; E143-L146 PolarHBondContact O-N 3.36Å; E143-S147 WeakPolarHBondContact O-CA 3.42Å; E143-S147 WeakPolarHBondContact O-CB 3.31Å; E143-S147 PolarHBondContact O-N 3.08Å
144Q30.4Very low46.4Very low168 Ų16881 Ų8179%0.78547%0.47SS*.Hα-helixtrans-88.21.8-170.3-87.9177.90.200117.3G142G142-Q144 PolarHBondContact O-N 2.78Å
145V33.5Very low48Very low95 Ų9580.3 Ų80.358%0.57646%0.459SS*.Hα-helixtrans-112.2-25.3160-178.70000109.9E143 S147 V149E143-V145 PolarHBondContact O-N 3.39Å; V145-S147 VanDerWaalsContact C-N 3.27Å; V145-V149 WeakPolarHBondContact O-CG2 3.18Å
146L36.1Very low49.4Very low78 Ų7880.4 Ų80.441%0.40846%0.459SS..Hα-helixtrans-64.5-29.6163.9-78.2167.7000111.7G142 E143 S148 V149 S150 L326G142-L146 WeakPolarHBondContact O-CB 3.48Å; G142-L146 WeakPolarHBondContact O-CD1 3.4Å; G142-L146 WeakPolarHBondContact O-CG 3.48Å; G142-L146 PolarHBondContact O-N 3.13Å; E143-L146 CarbonylContact O-C 3.43Å; E143-L146 PolarHBondContact O-N 3.36Å; L146-S148 PolarHBondContact O-N 2.91Å; L146-V149 PolarHBondContact O-N 3.12Å; L146-S150 VanDerWaalsContact O-CA 3.29Å; L146-S150 WeakPolarHBondContact O-CA 3.16Å; L146-S150 WeakPolarHBondContact O-CB 3.1Å; L146-S150 PolarHBondContact O-N 3.3Å; L146-L326 HydrophobicContact CD2-CD1 4.25Å
147S33.5Very low51.5Low52 Ų5279.6 Ų79.636%0.36444%0.439SS..Hα-helixtrans-58-57.9-17663.70000111.6E143 V145 V149 E151E143-S147 WeakPolarHBondContact O-CA 3.42Å; E143-S147 WeakPolarHBondContact O-CB 3.31Å; E143-S147 PolarHBondContact O-N 3.08Å; V145-S147 VanDerWaalsContact C-N 3.27Å; S147-V149 VanDerWaalsContact C-N 3.34Å; S147-V149 PolarHBondContact O-N 3.39Å; S147-E151 WeakPolarHBondContact O-CB 3.34Å; S147-E151 VanDerWaalsContact O-CD 3.28Å; S147-E151 WeakPolarHBondContact O-CG 3.4Å; S147-E151 PolarHBondContact O-N 3.4Å
148S35.6Very low54Low66 Ų6680.8 Ų80.846%0.46244%0.441SS..Hα-helixtrans-75.2-15.9-177.862.10000115.4L146 N152L146-S148 PolarHBondContact O-N 2.91Å; S148-N152 PolarHBondContact O-ND2 3.09Å
149V43.5Very low56.7Low30 Ų3079.9 Ų79.918%0.18244%0.441CS..Hα-helixtrans-95-41.5177.1-173.80000110.6V145 L146 S147 E151 N152 V153 N322 T323 L326V145-V149 WeakPolarHBondContact O-CG2 3.18Å; L146-V149 PolarHBondContact O-N 3.12Å; S147-V149 VanDerWaalsContact C-N 3.34Å; S147-V149 PolarHBondContact O-N 3.39Å; V149-E151 VanDerWaalsContact C-N 3.31Å; V149-E151 PolarHBondContact O-N 3.15Å; V149-N152 PolarHBondContact O-N 3.18Å; V149-V153 PolarHBondContact O-N 2.99Å; V149-N322 WeakPolarHBondContact CG1-O 2.86Å; V149-T323 HydrophobicContact CG1-CG2 4.01Å; V149-L326 HydrophobicContact CB-CD1 4.33Å; V149-L326 HydrophobicContact CG1-CD1 3.53Å
150S52.9Low59.8Low46 Ų4670.4 Ų70.432%0.32240%0.4SS..Hα-helixtrans-67.5-28171.3-167.90000112.9L146 N152 V153 E154L146-S150 VanDerWaalsContact O-CA 3.29Å; L146-S150 WeakPolarHBondContact O-CA 3.16Å; L146-S150 WeakPolarHBondContact O-CB 3.1Å; L146-S150 PolarHBondContact O-N 3.3Å; S150-N152 PolarHBondContact O-N 2.85Å; S150-N152 VanDerWaalsContact O-N 3.15Å; S150-V153 PolarHBondContact O-N 3.47Å; S150-V153 VanDerWaalsContact O-N 3.14Å; S150-E154 PolarHBondContact O-N 2.99Å
151E62.4Low62.7Low125 Ų12568.5 Ų68.558%0.58437%0.373SS*.Hα-helixtrans-51.8-30.9170.6-94.5160.3-135.700112S147 V149 P155S147-E151 WeakPolarHBondContact O-CB 3.34Å; S147-E151 VanDerWaalsContact O-CD 3.28Å; S147-E151 WeakPolarHBondContact O-CG 3.4Å; S147-E151 PolarHBondContact O-N 3.4Å; V149-E151 VanDerWaalsContact C-N 3.31Å; V149-E151 PolarHBondContact O-N 3.15Å; E151-P155 WeakPolarHBondContact O-CD 3.43Å; E151-P155 WeakPolarHBondContact O-CG 3.49Å
152N73.8Confident66Low82 Ų8270.5 Ų70.544%0.43938%0.378SS..Hα-helixtrans-99.1-23.2177.2-66.9-61.5000113.8S148 V149 S150 F156 P320 T323S148-N152 PolarHBondContact O-ND2 3.09Å; V149-N152 PolarHBondContact O-N 3.18Å; S150-N152 PolarHBondContact O-N 2.85Å; S150-N152 VanDerWaalsContact O-N 3.15Å; N152-F156 VanDerWaalsContact O-CB 3.26Å; N152-F156 WeakPolarHBondContact O-CB 3.32Å; N152-F156 PolarHBondContact O-N 3.18Å; N152-F156 VanDerWaalsContact O-N 3.1Å; N152-P320 HydrophobicContact CB-CB 3.94Å; N152-P320 HydrophobicContact CB-CG 4.27Å; N152-T323 HydrophobicContact CB-CG2 4.5Å
153V82.3Confident69.2Low5 Ų570 Ų703%0.0337%0.368CS..Hα-helixtrans-63.5-44.8176.5167.40000111.5V149 S150 F156 R157 T323 I327V149-V153 PolarHBondContact O-N 2.99Å; S150-V153 PolarHBondContact O-N 3.47Å; S150-V153 VanDerWaalsContact O-N 3.14Å; V153-F156 PolarHBondContact O-N 2.87Å; V153-R157 HydrophobicContact CG1-CG 4.37Å; V153-R157 WeakPolarHBondContact O-CB 3.39Å; V153-R157 WeakPolarHBondContact O-CG 3.37Å; V153-R157 PolarHBondContact O-N 2.97Å; V153-T323 HydrophobicContact CG2-CG2 3.76Å; V153-I327 HydrophobicContact CG1-CD1 4.26Å; V153-I327 HydrophobicContact CG1-CG2 3.84Å; V153-I327 HydrophobicContact CG2-CD1 4.13Å; V153-I327 HydrophobicContact CG2-CG2 4.29Å
154E88.2Confident72.3Confident48 Ų4865 Ų6522%0.22435%0.345CS..Hα-helixtrans-69.8-46.1-176.9-74.1-62.5140.900113.3S150 F156 R157 Q158 K405S150-E154 PolarHBondContact O-N 2.99Å; E154-F156 VanDerWaalsContact C-N 3.27Å; E154-F156 PolarHBondContact O-N 2.94Å; E154-R157 PolarHBondContact O-N 2.91Å; E154-R157 WeakPolarHBondContact OE1-CD 3.45Å; E154-R157 IonicContact OE1-CZ 4Å; E154-R157 IonicContact OE1-NH1 2.66Å; E154-R157 PolarHBondContact OE1-NH1 3.37Å; E154-Q158 VanDerWaalsContact O-CG 3.28Å; E154-Q158 WeakPolarHBondContact O-CG 3.29Å; E154-Q158 PolarHBondContact O-N 3.1Å; E154-K405 WeakPolarHBondContact OE1-CE 3.5Å; E154-K405 IonicContact OE1-NZ 3.94Å; E154-K405 PolarHBondContact OE1-NZ 3.25Å; E154-K405 WeakPolarHBondContact OE2-CE 3.32Å; E154-K405 IonicContact OE2-NZ 2.76Å; E154-K405 PolarHBondContact OE2-NZ 3.35Å
155P91.1Very high75.5Confident67 Ų6764.2 Ų64.244%0.43534%0.339SS..Hα-helixtrans-58-36.4168.8-27.336.5000113.4E151 Q158 K159E151-P155 WeakPolarHBondContact O-CD 3.43Å; E151-P155 WeakPolarHBondContact O-CG 3.49Å; P155-Q158 PolarHBondContact O-N 3.13Å; P155-K159 WeakPolarHBondContact O-CB 3.36Å; P155-K159 PolarHBondContact O-N 3.35Å
156F91.9Very high78.4Confident12 Ų1265.6 Ų65.65%0.05334%0.34CS..Hα-helixtrans-66.7-46.3175.3179.9-97.8000112.2N152 V153 E154 Q158 K159 L160 L294 M317 F318 F319 P320 I327 L402N152-F156 VanDerWaalsContact O-CB 3.26Å; N152-F156 WeakPolarHBondContact O-CB 3.32Å; N152-F156 PolarHBondContact O-N 3.18Å; N152-F156 VanDerWaalsContact O-N 3.1Å; V153-F156 PolarHBondContact O-N 2.87Å; E154-F156 VanDerWaalsContact C-N 3.27Å; E154-F156 PolarHBondContact O-N 2.94Å; F156-Q158 VanDerWaalsContact C-N 3.29Å; F156-Q158 PolarHBondContact O-N 3.17Å; F156-K159 PolarHBondContact O-N 2.94Å; F156-L160 HydrophobicContact CE1-CD2 4.3Å; F156-L160 VanDerWaalsContact O-CB 3.3Å; F156-L160 WeakPolarHBondContact O-CB 3.44Å; F156-L160 PolarHBondContact O-N 3.36Å; F156-L294 HydrophobicContact CZ-CD2 4.5Å; F156-M317 HydrophobicContact CD2-CE 3.53Å; F156-M317 HydrophobicContact CE2-CE 3.2Å; F156-M317 HydrophobicContact CE2-CG 3.94Å; F156-M317 HydrophobicContact CE2-SD 4.37Å; F156-M317 HydrophobicContact CG-CE 4.41Å; F156-M317 HydrophobicContact CZ-CE 3.83Å; F156-M317 HydrophobicContact CZ-CG 4.4Å; F156-F318 VanDerWaalsContact CE2-O 3.27Å; F156-F318 WeakPolarHBondContact CE2-O 3.23Å; F156-F319 HydrophobicContact CD1-CD1 4.2Å; F156-F319 HydrophobicContact CD1-CE1 4.47Å; F156-F319 AromaticContact CE1-CD1 3.39Å; F156-F319 HydrophobicContact CE1-CD1 3.39Å; F156-F319 AromaticContact CE1-CE1 3.47Å; F156-F319 HydrophobicContact CE1-CE1 3.47Å; F156-F319 VanDerWaalsContact CE1-CE1 3.47Å; F156-F319 HydrophobicContact CE1-CG 4.45Å; F156-F319 HydrophobicContact CE2-CD1 4.43Å; F156-F319 AromaticContact CZ-CD1 3.53Å; F156-F319 HydrophobicContact CZ-CD1 3.53Å; F156-F319 AromaticContact CZ-CE1 3.79Å; F156-F319 HydrophobicContact CZ-CE1 3.79Å; F156-F319 HydrophobicContact CZ-CG 4.19Å; F156-P320 HydrophobicContact CB-CG 3.76Å; F156-P320 VanDerWaalsContact CD2-CD 3.41Å; F156-P320 HydrophobicContact CD2-CG 3.89Å; F156-P320 HydrophobicContact CG-CG 3.98Å; F156-I327 HydrophobicContact CD1-CD1 3.77Å; F156-I327 HydrophobicContact CE1-CD1 4.14Å; F156-L402 HydrophobicContact CD1-CD1 4.26Å; F156-L402 HydrophobicContact CE1-CD1 3.97Å
157R93.2Very high81.2Confident36 Ų3664 Ų6414%0.13633%0.33CS..Hα-helixtrans-57.7-41.9173.4-77.5177.8169144.71.9111.7V153 E154 S161 N401 L402V153-R157 HydrophobicContact CG1-CG 4.37Å; V153-R157 WeakPolarHBondContact O-CB 3.39Å; V153-R157 WeakPolarHBondContact O-CG 3.37Å; V153-R157 PolarHBondContact O-N 2.97Å; E154-R157 PolarHBondContact O-N 2.91Å; E154-R157 WeakPolarHBondContact OE1-CD 3.45Å; E154-R157 IonicContact OE1-CZ 4Å; E154-R157 IonicContact OE1-NH1 2.66Å; E154-R157 PolarHBondContact OE1-NH1 3.37Å; R157-S161 VanDerWaalsContact O-CB 3.3Å; R157-S161 WeakPolarHBondContact O-CB 3.33Å; R157-S161 PolarHBondContact O-N 3.06Å; R157-N401 PolarHBondContact NE-O 2.62Å; R157-N401 PolarHBondContact NH2-O 3.25Å; R157-N401 PolarHBondContact NH2-OD1 3.03Å; R157-L402 HydrophobicContact CG-CD1 4.44Å; R157-L402 PolarHBondContact NE-O 3.41Å
158Q93.6Very high84.1Confident128 Ų12869.8 Ų69.860%0.59835%0.348SS*.Hα-helixtrans-63.5-49.1175.9-71.417010.500111.5E154 P155 F156 L160 S161 M162E154-Q158 VanDerWaalsContact O-CG 3.28Å; E154-Q158 WeakPolarHBondContact O-CG 3.29Å; E154-Q158 PolarHBondContact O-N 3.1Å; P155-Q158 PolarHBondContact O-N 3.13Å; F156-Q158 VanDerWaalsContact C-N 3.29Å; F156-Q158 PolarHBondContact O-N 3.17Å; Q158-L160 PolarHBondContact O-N 3.37Å; Q158-S161 PolarHBondContact O-N 3.09Å; Q158-M162 WeakPolarHBondContact O-CB 3.33Å; Q158-M162 PolarHBondContact O-N 2.81Å
159K95.1Very high87Confident120 Ų12067.2 Ų67.252%0.52233%0.329SS..Hα-helixtrans-60.3-43.9176.8-175-179.4176.3-177.30112.1P155 F156 M162 I163 M317P155-K159 WeakPolarHBondContact O-CB 3.36Å; P155-K159 PolarHBondContact O-N 3.35Å; F156-K159 PolarHBondContact O-N 2.94Å; K159-M162 WeakPolarHBondContact O-CB 3.5Å; K159-M162 PolarHBondContact O-N 3.13Å; K159-I163 HydrophobicContact CG-CD1 4.11Å; K159-I163 WeakPolarHBondContact O-CG1 3.42Å; K159-I163 PolarHBondContact O-N 3.08Å; K159-M317 HydrophobicContact CB-CE 4.22Å; K159-M317 HydrophobicContact CD-CE 3.92Å; K159-M317 HydrophobicContact CG-CE 3.96Å
160L96.1Very high89.5Confident2 Ų268.1 Ų68.11%0.0134%0.337CS..Hα-helixtrans-62.3-45.7175.8178.660000111.3F156 Q158 M162 I163 I164 L292 L294 M317 L402 L403F156-L160 HydrophobicContact CE1-CD2 4.3Å; F156-L160 VanDerWaalsContact O-CB 3.3Å; F156-L160 WeakPolarHBondContact O-CB 3.44Å; F156-L160 PolarHBondContact O-N 3.36Å; Q158-L160 PolarHBondContact O-N 3.37Å; L160-M162 VanDerWaalsContact C-N 3.29Å; L160-M162 PolarHBondContact O-N 3.22Å; L160-I163 PolarHBondContact O-N 3.42Å; L160-I164 HydrophobicContact CD1-CD1 3.98Å; L160-I164 HydrophobicContact CD1-CG1 4.31Å; L160-I164 HydrophobicContact CG-CD1 3.82Å; L160-I164 WeakPolarHBondContact O-CB 3.11Å; L160-I164 WeakPolarHBondContact O-CD1 3.48Å; L160-I164 VanDerWaalsContact O-CG1 3.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.41Å; L160-I164 PolarHBondContact O-N 2.86Å; L160-L292 HydrophobicContact CD1-CD2 3.53Å; L160-L294 HydrophobicContact CD1-CD1 4.3Å; L160-L294 HydrophobicContact CD1-CD2 4.21Å; L160-L294 HydrophobicContact CD2-CD1 4.03Å; L160-M317 HydrophobicContact CB-CE 4.19Å; L160-L402 HydrophobicContact CD2-CD1 3.92Å; L160-L402 HydrophobicContact CD2-CD2 3.86Å; L160-L402 HydrophobicContact CD2-CG 3.86Å; L160-L403 HydrophobicContact CD2-CD2 4.23Å
161S96Very high91.6Very high49 Ų4969 Ų6934%0.34334%0.337SS..Hα-helixtrans-63.3-33.6176.5-171.60000112.9R157 Q158 K165R157-S161 VanDerWaalsContact O-CB 3.3Å; R157-S161 WeakPolarHBondContact O-CB 3.33Å; R157-S161 PolarHBondContact O-N 3.06Å; Q158-S161 PolarHBondContact O-N 3.09Å; S161-K165 WeakPolarHBondContact O-CD 3.34Å; S161-K165 VanDerWaalsContact O-CG 3.29Å; S161-K165 WeakPolarHBondContact O-CG 3.37Å; S161-K165 PolarHBondContact O-N 2.91Å
162M96.9Very high93.3Very high98 Ų9863.3 Ų63.348%0.48331%0.312SS..Hα-helixtrans-65-53.2174.6-165-179.587.500110.7Q158 K159 L160 I164 K165 E166Q158-M162 WeakPolarHBondContact O-CB 3.33Å; Q158-M162 PolarHBondContact O-N 2.81Å; K159-M162 WeakPolarHBondContact O-CB 3.5Å; K159-M162 PolarHBondContact O-N 3.13Å; L160-M162 VanDerWaalsContact C-N 3.29Å; L160-M162 PolarHBondContact O-N 3.22Å; M162-I164 VanDerWaalsContact C-N 3.35Å; M162-I164 PolarHBondContact O-N 3.27Å; M162-K165 PolarHBondContact O-N 3.45Å; M162-E166 HydrophobicContact CG-CG 4.43Å; M162-E166 WeakPolarHBondContact CG-OE1 3.1Å; M162-E166 WeakPolarHBondContact O-CG 3.41Å; M162-E166 PolarHBondContact O-N 3.48Å
163I96.2Very high94.5Very high20 Ų2059.9 Ų59.910%0.10329%0.293CS..Hα-helixtrans-57.5-45.5177.5-68.6163.6000111.3K159 L160 K165 E166 E167 L169 L292 M317K159-I163 HydrophobicContact CG-CD1 4.11Å; K159-I163 WeakPolarHBondContact O-CG1 3.42Å; K159-I163 PolarHBondContact O-N 3.08Å; L160-I163 PolarHBondContact O-N 3.42Å; I163-K165 PolarHBondContact O-N 3.35Å; I163-E166 PolarHBondContact O-N 2.91Å; I163-E167 WeakPolarHBondContact O-CB 3.41Å; I163-E167 PolarHBondContact O-N 3.32Å; I163-L169 HydrophobicContact CG2-CD1 4.14Å; I163-L292 HydrophobicContact CG2-CD2 3.95Å; I163-M317 HydrophobicContact CD1-CE 4.33Å; I163-M317 HydrophobicContact CD1-SD 3.51Å; I163-M317 VanDerWaalsContact CD1-SD 3.51Å
164I96.6Very high95.2Very high37 Ų3759.8 Ų59.819%0.1929%0.292CS..Hα-helixtrans-56.1-39.5176.9-72.7165.2000111.7L160 M162 K168 L169 L174 L403L160-I164 HydrophobicContact CD1-CD1 3.98Å; L160-I164 HydrophobicContact CD1-CG1 4.31Å; L160-I164 HydrophobicContact CG-CD1 3.82Å; L160-I164 WeakPolarHBondContact O-CB 3.11Å; L160-I164 WeakPolarHBondContact O-CD1 3.48Å; L160-I164 VanDerWaalsContact O-CG1 3.23Å; L160-I164 WeakPolarHBondContact O-CG1 3.41Å; L160-I164 PolarHBondContact O-N 2.86Å; M162-I164 VanDerWaalsContact C-N 3.35Å; M162-I164 PolarHBondContact O-N 3.27Å; I164-K168 CarbonylContact O-C 3.58Å; I164-K168 VanDerWaalsContact O-CA 3.29Å; I164-K168 WeakPolarHBondContact O-CA 3.5Å; I164-K168 PolarHBondContact O-N 3.4Å; I164-K168 VanDerWaalsContact O-N 3.1Å; I164-L169 HydrophobicContact CG1-CB 4.44Å; I164-L169 HydrophobicContact CG1-CD1 4.33Å; I164-L169 HydrophobicContact CG2-CB 4.48Å; I164-L169 PolarHBondContact O-N 2.86Å; I164-L174 HydrophobicContact CD1-CD1 3.65Å; I164-L174 HydrophobicContact CD1-CD2 4.31Å; I164-L174 HydrophobicContact CG1-CD1 4.04Å; I164-L174 HydrophobicContact CG1-CD2 3.98Å; I164-L403 HydrophobicContact CD1-CD2 4.16Å
165K96.6Very high95.7Very high153 Ų15357.5 Ų57.567%0.66528%0.282SS*.Hα-helixtrans-77.6-45179.9-71.9168.5-177.8170.40112.7S161 M162 I163 K168S161-K165 WeakPolarHBondContact O-CD 3.34Å; S161-K165 VanDerWaalsContact O-CG 3.29Å; S161-K165 WeakPolarHBondContact O-CG 3.37Å; S161-K165 PolarHBondContact O-N 2.91Å; M162-K165 PolarHBondContact O-N 3.45Å; I163-K165 PolarHBondContact O-N 3.35Å; K165-K168 PolarHBondContact O-N 2.96Å
166E95.8Very high96Very high124 Ų12454.3 Ų54.358%0.57926%0.261SS*.Hα-helixtrans-63-44.8-179.3-72.3172.9165.500111.3M162 I163M162-E166 HydrophobicContact CG-CG 4.43Å; M162-E166 WeakPolarHBondContact CG-OE1 3.1Å; M162-E166 WeakPolarHBondContact O-CG 3.41Å; M162-E166 PolarHBondContact O-N 3.48Å; I163-E166 PolarHBondContact O-N 2.91Å
167E94.4Very high96.2Very high43 Ų4353.7 Ų53.720%0.20126%0.258CS..THydrogen-bonded Turntrans-92.11.9-179.4-69.3168.3-133.800113.4I163 L169 R290 K315I163-E167 WeakPolarHBondContact O-CB 3.41Å; I163-E167 PolarHBondContact O-N 3.32Å; E167-L169 VanDerWaalsContact C-N 3.25Å; E167-L169 HydrophobicContact CB-CD1 4.48Å; E167-L169 HydrophobicContact CB-CD2 3.95Å; E167-L169 HydrophobicContact CB-CG 3.91Å; E167-L169 PolarHBondContact O-N 3.1Å; E167-R290 VanDerWaalsContact O-CD 3.27Å; E167-R290 WeakPolarHBondContact O-CD 3.36Å; E167-R290 PolarHBondContact O-NH1 3.5Å; E167-K315 WeakPolarHBondContact OE1-CE 3.28Å; E167-K315 IonicContact OE1-NZ 2.83Å; E167-K315 PolarHBondContact OE1-NZ 2.85Å; E167-K315 WeakPolarHBondContact OE2-CE 3.43Å; E167-K315 IonicContact OE2-NZ 3.86Å; E167-K315 PolarHBondContact OE2-NZ 3.1Å
168K95Very high96.1Very high174 Ų17452.6 Ų52.676%0.75726%0.255SS*.THydrogen-bonded Turntrans52.739.7179.5-54.9178.2-176.9175.10113.2I164 K165I164-K168 CarbonylContact O-C 3.58Å; I164-K168 VanDerWaalsContact O-CA 3.29Å; I164-K168 WeakPolarHBondContact O-CA 3.5Å; I164-K168 PolarHBondContact O-N 3.4Å; I164-K168 VanDerWaalsContact O-N 3.1Å; K165-K168 PolarHBondContact O-N 2.96Å
169L96.6Very high95.9Very high12 Ų1248.4 Ų48.46%0.06324%0.236CC..  trans-68.6130.3-175.8-57.5178.5000111.2I163 I164 E167 Q173 L174 R290 L292I163-L169 HydrophobicContact CG2-CD1 4.14Å; I164-L169 HydrophobicContact CG1-CB 4.44Å; I164-L169 HydrophobicContact CG1-CD1 4.33Å; I164-L169 HydrophobicContact CG2-CB 4.48Å; I164-L169 PolarHBondContact O-N 2.86Å; E167-L169 VanDerWaalsContact C-N 3.25Å; E167-L169 HydrophobicContact CB-CD1 4.48Å; E167-L169 HydrophobicContact CB-CD2 3.95Å; E167-L169 HydrophobicContact CB-CG 3.91Å; E167-L169 PolarHBondContact O-N 3.1Å; L169-Q173 HydrophobicContact CD2-CB 4.44Å; L169-L174 HydrophobicContact CB-CD2 4.19Å; L169-L174 HydrophobicContact CD1-CD2 3.73Å; L169-R290 HydrophobicContact CD2-CB 4.31Å; L169-R290 HydrophobicContact CD2-CG 3.51Å; L169-L292 HydrophobicContact CD1-CB 3.89Å; L169-L292 HydrophobicContact CD1-CD2 4.24Å
170C96Very high95.3Very high49 Ų4943.4 Ų43.433%0.33122%0.215SC..  trans-89.7167.5167.672.80000111.6A172 Q173 L174C170-A172 PolarHBondContact O-N 3.23Å; C170-Q173 VanDerWaalsContact N-OE1 3.16Å; C170-Q173 WeakPolarHBondContact O-CB 3.44Å; C170-Q173 PolarHBondContact O-N 2.9Å; C170-L174 PolarHBondContact O-N 2.98Å
171L97Very high94.6Very high65 Ų6545.4 Ų45.434%0.3423%0.226SC..G310 helixtrans-58.9-34.6-179.5-64.4-179.6000112.6Q173 L174 A218 D219 L403L171-Q173 PolarHBondContact O-N 2.78Å; L171-Q173 VanDerWaalsContact O-N 3.15Å; L171-L174 HydrophobicContact CD2-CD1 4.37Å; L171-L174 PolarHBondContact O-N 3.31Å; L171-A218 HydrophobicContact CB-CB 4.09Å; L171-A218 HydrophobicContact CD2-CB 4.02Å; L171-A218 WeakPolarHBondContact O-CB 3.29Å; L171-A218 PolarHBondContact O-N 3.45Å; L171-D219 HydrophobicContact CB-CB 4Å; L171-L403 HydrophobicContact CD2-CD1 3.64Å
172A97.2Very high93.7Very high6 Ų643.2 Ų43.25%0.0521%0.21CC..G310 helixtrans-66-14.3177.100000114.4C170 Y175 N217 D219 L282C170-A172 PolarHBondContact O-N 3.23Å; A172-Y175 VanDerWaalsContact O-CE2 3.25Å; A172-Y175 WeakPolarHBondContact O-CE2 3.46Å; A172-Y175 PolarHBondContact O-OH 3.06Å; A172-Y175 VanDerWaalsContact O-OH 3.05Å; A172-N217 WeakPolarHBondContact CA-ND2 3.14Å; A172-N217 PolarHBondContact O-ND2 2.99Å; A172-D219 WeakPolarHBondContact CA-OD2 3.35Å; A172-D219 WeakPolarHBondContact CB-OD2 3.26Å; A172-D219 PolarHBondContact N-OD2 3.01Å; A172-L282 HydrophobicContact CB-CD1 3.64Å
173Q98.2Very high92.7Very high9 Ų940.5 Ų40.54%0.04220%0.196CC..G310 helixtrans-101.9-7.7179.1-67.1175.1-37.400113.3L169 C170 L171 F284 D288 R290 A291 L292L169-Q173 HydrophobicContact CD2-CB 4.44Å; C170-Q173 VanDerWaalsContact N-OE1 3.16Å; C170-Q173 WeakPolarHBondContact O-CB 3.44Å; C170-Q173 PolarHBondContact O-N 2.9Å; L171-Q173 PolarHBondContact O-N 2.78Å; L171-Q173 VanDerWaalsContact O-N 3.15Å; Q173-F284 HydrophobicContact CG-CE2 4.06Å; Q173-D288 PolarHBondContact NE2-O 3.46Å; Q173-D288 VanDerWaalsContact NE2-O 3.11Å; Q173-R290 WeakPolarHBondContact CB-O 3.49Å; Q173-R290 VanDerWaalsContact CG-O 3.32Å; Q173-R290 WeakPolarHBondContact CG-O 3.41Å; Q173-A291 CarbonylContact O-C 3.32Å; Q173-A291 WeakPolarHBondContact O-CA 3.49Å; Q173-A291 WeakPolarHBondContact O-CB 3.5Å; Q173-L292 PolarHBondContact O-N 2.84Å
174L98.2Very high91.5Very high3 Ų340.1 Ų40.12%0.01619%0.193CC..EExtended strand (participates in β ladder)trans-95.4120.7174.5-64.2179.3000109.3I164 L169 C170 L171 N217 A218 L292 W399 L403I164-L174 HydrophobicContact CD1-CD1 3.65Å; I164-L174 HydrophobicContact CD1-CD2 4.31Å; I164-L174 HydrophobicContact CG1-CD1 4.04Å; I164-L174 HydrophobicContact CG1-CD2 3.98Å; L169-L174 HydrophobicContact CB-CD2 4.19Å; L169-L174 HydrophobicContact CD1-CD2 3.73Å; C170-L174 PolarHBondContact O-N 2.98Å; L171-L174 HydrophobicContact CD2-CD1 4.37Å; L171-L174 PolarHBondContact O-N 3.31Å; L174-N217 CarbonylContact O-C 3.57Å; L174-N217 WeakPolarHBondContact O-CA 3.35Å; L174-N217 WeakPolarHBondContact O-CB 3.43Å; L174-A218 HydrophobicContact CB-CB 3.86Å; L174-A218 PolarHBondContact O-N 3.25Å; L174-L292 HydrophobicContact CD2-CB 3.99Å; L174-L292 HydrophobicContact CD2-CD2 4.21Å; L174-W399 HydrophobicContact CB-CH2 3.92Å; L174-W399 HydrophobicContact CB-CZ3 3.97Å; L174-L403 HydrophobicContact CD1-CD2 4.38Å
175Y98.5Very high90.2Very high0 Ų041.3 Ų41.30%020%0.197CC..EExtended strand (participates in β ladder)trans-117.8150.4-179.1-70.5-101.7000110.9A172 A216 N217 H222 L224 F270 V274 A291 L292 L293 L294 W399A172-Y175 VanDerWaalsContact O-CE2 3.25Å; A172-Y175 WeakPolarHBondContact O-CE2 3.46Å; A172-Y175 PolarHBondContact O-OH 3.06Å; A172-Y175 VanDerWaalsContact O-OH 3.05Å; Y175-A216 WeakPolarHBondContact CA-O 3.3Å; Y175-N217 HydrophobicContact CD1-CB 3.98Å; Y175-N217 HydrophobicContact CD2-CB 4.38Å; Y175-N217 HydrophobicContact CE1-CB 3.66Å; Y175-N217 HydrophobicContact CE2-CB 4.06Å; Y175-N217 HydrophobicContact CG-CB 4.31Å; Y175-H222 HydrophobicContact CE1-CB 4.4Å; Y175-H222 AromaticContact CE1-ND1 3.5Å; Y175-H222 WeakPolarHBondContact CE1-ND1 3.39Å; Y175-H222 AromaticContact CZ-ND1 3.6Å; Y175-H222 PolarHBondContact OH-ND1 3.27Å; Y175-L224 HydrophobicContact CD1-CD1 3.69Å; Y175-L224 HydrophobicContact CE1-CD1 3.6Å; Y175-F270 AromaticContact CD1-CE2 3.88Å; Y175-F270 HydrophobicContact CD1-CE2 3.88Å; Y175-F270 HydrophobicContact CD1-CZ 4.44Å; Y175-F270 HydrophobicContact CD2-CE2 4.4Å; Y175-F270 HydrophobicContact CD2-CZ 4.15Å; Y175-F270 AromaticContact CG-CE2 3.78Å; Y175-F270 HydrophobicContact CG-CE2 3.78Å; Y175-F270 AromaticContact CG-CZ 3.93Å; Y175-F270 HydrophobicContact CG-CZ 3.93Å; Y175-V274 HydrophobicContact CD1-CG2 4.44Å; Y175-V274 HydrophobicContact CE1-CG2 3.92Å; Y175-V274 HydrophobicContact CE2-CG1 3.96Å; Y175-V274 HydrophobicContact CE2-CG2 4.1Å; Y175-A291 HydrophobicContact CD2-CB 4.05Å; Y175-A291 HydrophobicContact CE2-CB 4.12Å; Y175-L292 PolarHBondContact N-O 3.34Å; Y175-L293 CarbonylContact O-C 3.53Å; Y175-L294 PolarHBondContact O-N 2.95Å; Y175-W399 VanDerWaalsContact C-CH2 3.47Å; Y175-W399 WeakPolarHBondContact O-CH2 3.29Å
176S97.5Very high88.6Confident0 Ų034.8 Ų34.80%017%0.171CC..EExtended strand (participates in β ladder)trans-129.2136.5167.5-178.20000108.8C215 A216 L294 M330S176-C215 WeakPolarHBondContact O-CA 2.94Å; S176-C215 PolarHBondContact O-SG 3.49Å; S176-C215 VanDerWaalsContact O-SG 3.39Å; S176-A216 PolarHBondContact N-O 2.61Å; S176-A216 PolarHBondContact O-N 2.77Å; S176-L294 WeakPolarHBondContact CA-O 3.3Å; S176-L294 PolarHBondContact OG-O 2.88Å; S176-M330 WeakPolarHBondContact O-CE 3.35Å
177G95.3Very high86.6Confident0 Ų032.1 Ų32.10%016%0.159CC..EExtended strand (participates in β ladder)trans-118.4151.1171.700000110.9L214 L294 Q328G177-L214 VanDerWaalsContact CA-O 3.28Å; G177-L214 WeakPolarHBondContact CA-O 3.26Å; G177-L294 PolarHBondContact N-O 3.39Å; G177-L294 VanDerWaalsContact N-O 3.08Å; G177-Q328 PolarHBondContact O-NE2 3.26Å
178D91.3Very high84.4Confident13 Ų1331.3 Ų31.37%0.0716%0.158CC..EExtended strand (participates in β ladder)trans-159.3140.8169.2-161.151.2000112.8L213 L214 Q328 M330 N331 I335D178-L213 VanDerWaalsContact C-CD1 3.48Å; D178-L213 WeakPolarHBondContact O-CD1 3.27Å; D178-L214 PolarHBondContact N-O 2.73Å; D178-L214 VanDerWaalsContact N-O 3.13Å; D178-L214 PolarHBondContact O-N 2.91Å; D178-Q328 VanDerWaalsContact CB-NE2 3.32Å; D178-Q328 PolarHBondContact OD1-NE2 3.35Å; D178-Q328 PolarHBondContact OD1-OE1 2.95Å; D178-M330 HydrophobicContact CB-CB 3.5Å; D178-M330 VanDerWaalsContact CB-CB 3.5Å; D178-M330 HydrophobicContact CB-CG 4.08Å; D178-N331 PolarHBondContact OD2-ND2 3.1Å; D178-N331 PolarHBondContact OD2-OD1 3.26Å; D178-I335 HydrophobicContact CB-CD1 3.8Å; D178-I335 WeakPolarHBondContact OD2-CD1 3.18Å
179E88.7Confident81.9Confident40 Ų4026 Ų2619%0.18714%0.136CC..EExtended strand (participates in β ladder)trans-79.1146.4177.2-72.873.1-164.800113.1A212 L213 F257 F262 H301E179-A212 CarbonylContact C-O 3.35Å; E179-A212 WeakPolarHBondContact CA-O 3.3Å; E179-L213 HydrophobicContact CG-CB 4.5Å; E179-F257 HydrophobicContact CB-CD2 4.43Å; E179-F257 HydrophobicContact CB-CE2 4.5Å; E179-F257 HydrophobicContact CG-CD2 3.41Å; E179-F257 VanDerWaalsContact CG-CD2 3.41Å; E179-F257 HydrophobicContact CG-CE2 3.64Å; E179-F257 HydrophobicContact CG-CG 3.93Å; E179-F257 HydrophobicContact CG-CZ 4.33Å; E179-F262 WeakPolarHBondContact OE1-CE2 3.5Å; E179-H301 IonicContact OE1-NE2 3.5Å; E179-H301 PolarHBondContact OE1-NE2 2.64Å; E179-H301 IonicContact OE2-CE1 3.67Å; E179-H301 IonicContact OE2-NE2 3.13Å
180T84.4Confident79.2Confident15 Ų1527.3 Ų27.39%0.09214%0.142CC..EExtended strand (participates in β ladder)trans-147.9144.6175.8-1460000113.6S211 A212 I335 K339 W383T180-S211 WeakPolarHBondContact O-CA 3.47Å; T180-A212 PolarHBondContact N-O 3.11Å; T180-A212 PolarHBondContact O-N 3.35Å; T180-I335 HydrophobicContact CG2-CG2 4.15Å; T180-I335 VanDerWaalsContact OG1-CG2 3.31Å; T180-I335 WeakPolarHBondContact OG1-CG2 3.37Å; T180-K339 VanDerWaalsContact OG1-CE 3.23Å; T180-K339 WeakPolarHBondContact OG1-CE 3.49Å; T180-K339 PolarHBondContact OG1-NZ 2.8Å; T180-W383 HydrophobicContact CG2-CH2 3.83Å; T180-W383 HydrophobicContact CG2-CZ2 4.05Å
181D80.8Confident76.5Confident44 Ų4426.6 Ų26.624%0.23514%0.138CC..EExtended strand (participates in β ladder)trans-90.9142.5-179.1-71.1-16.6000112.8R209 S211 K339D181-R209 VanDerWaalsContact CG-NH2 3.29Å; D181-R209 IonicContact OD1-CZ 3.53Å; D181-R209 IonicContact OD1-NE 2.93Å; D181-R209 PolarHBondContact OD1-NE 2.92Å; D181-R209 IonicContact OD1-NH1 3.51Å; D181-R209 IonicContact OD1-NH2 3.88Å; D181-R209 PolarHBondContact OD1-NH2 3.15Å; D181-R209 IonicContact OD2-CZ 3.46Å; D181-R209 IonicContact OD2-NE 2.71Å; D181-R209 PolarHBondContact OD2-NE 3.38Å; D181-R209 IonicContact OD2-NH1 3.31Å; D181-R209 PolarHBondContact OD2-NH1 3.1Å; D181-R209 IonicContact OD2-NH2 2.98Å; D181-R209 PolarHBondContact OD2-NH2 3.36Å; D181-S211 PolarHBondContact OD1-OG 2.92Å; D181-K339 WeakPolarHBondContact O-CE 3.29Å; D181-K339 PolarHBondContact O-NZ 3.12Å
182L77.6Confident73.6Confident2 Ų230 Ų301%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-130.3111.9179.6-58.7170.8000110.5W184 R209 L210 A212 K339 W383L182-W184 PolarHBondContact O-N 2.95Å; L182-R209 WeakPolarHBondContact O-CA 3.2Å; L182-L210 HydrophobicContact CB-CB 4.4Å; L182-L210 PolarHBondContact N-O 3.39Å; L182-L210 PolarHBondContact O-N 2.97Å; L182-A212 HydrophobicContact CD1-CB 3.94Å; L182-K339 HydrophobicContact CD2-CG 4.1Å; L182-W383 HydrophobicContact CD1-CD2 3.48Å; L182-W383 VanDerWaalsContact CD1-CD2 3.48Å; L182-W383 HydrophobicContact CD1-CE3 3.49Å; L182-W383 VanDerWaalsContact CD1-CE3 3.49Å; L182-W383 HydrophobicContact CD1-CG 4.05Å; L182-W383 HydrophobicContact CD1-CH2 4.08Å; L182-W383 HydrophobicContact CD1-CZ2 4.06Å; L182-W383 HydrophobicContact CD1-CZ3 3.83Å; L182-W383 HydrophobicContact CD2-CE3 3.77Å; L182-W383 HydrophobicContact CD2-CH2 3.8Å; L182-W383 HydrophobicContact CD2-CZ3 3.36Å; L182-W383 HydrophobicContact CG-CE3 4.28Å; L182-W383 HydrophobicContact CG-CH2 4.41Å; L182-W383 HydrophobicContact CG-CZ3 4.19Å
183F75.6Confident70.7Confident41 Ų4131.6 Ų31.618%0.1817%0.166CC..EExtended strand (participates in β ladder)trans-86.982.4170.2-61.1-77.9000109.3K185 S186 K207 R209 R343 D444F183-K185 VanDerWaalsContact C-N 3.3Å; F183-K185 PolarHBondContact O-N 3Å; F183-S186 WeakPolarHBondContact CB-OG 3.49Å; F183-S186 VanDerWaalsContact O-CB 3.29Å; F183-S186 WeakPolarHBondContact O-CB 3.39Å; F183-S186 PolarHBondContact O-N 3.35Å; F183-S186 VanDerWaalsContact O-N 3.1Å; F183-S186 PolarHBondContact O-OG 2.9Å; F183-K207 HydrophobicContact CD1-CB 3.94Å; F183-K207 HydrophobicContact CD1-CG 4.48Å; F183-K207 HydrophobicContact CE1-CB 4.3Å; F183-R209 HydrophobicContact CD1-CB 4.08Å; F183-R209 HydrophobicContact CE1-CB 3.97Å; F183-R209 HydrophobicContact CE1-CG 4.28Å; F183-R343 PolarHBondContact O-NH2 3.49Å; F183-D444 WeakPolarHBondContact CB-OD1 3.44Å; F183-D444 HydrophobicContact CD2-CB 4.03Å; F183-D444 VanDerWaalsContact CD2-OD1 3.31Å; F183-D444 WeakPolarHBondContact CD2-OD1 3.37Å; F183-D444 WeakPolarHBondContact CE2-O 3.49Å; F183-D444 PolarHBondContact N-OD1 3.17Å
184W70.6Confident67.8Low12 Ų1232.3 Ų32.35%0.04517%0.172CC..THydrogen-bonded Turntrans-69.5-22.6-166.769.4-88000114.4L182 S186 E208 L210 Y342 Q346 Y374 I376 A379L182-W184 PolarHBondContact O-N 2.95Å; W184-S186 VanDerWaalsContact C-N 3.34Å; W184-E208 HydrophobicContact CZ2-CB 4.38Å; W184-E208 VanDerWaalsContact CZ2-OE2 3.31Å; W184-E208 WeakPolarHBondContact CZ2-OE2 3.28Å; W184-E208 PolarHBondContact N-O 3.14Å; W184-L210 HydrophobicContact CB-CD1 4.39Å; W184-L210 HydrophobicContact CG-CD1 4.14Å; W184-L210 HydrophobicContact CG-CG 4.41Å; W184-Y342 WeakPolarHBondContact CB-OH 3.41Å; W184-Q346 PolarHBondContact O-NE2 2.96Å; W184-Y374 AromaticContact CE3-CD1 3.99Å; W184-Y374 HydrophobicContact CE3-CD1 3.99Å; W184-Y374 HydrophobicContact CE3-CE1 4.16Å; W184-Y374 HydrophobicContact CZ3-CD1 4.34Å; W184-Y374 WeakPolarHBondContact CZ3-O 3.44Å; W184-Y374 WeakPolarHBondContact O-CE1 3.48Å; W184-I376 HydrophobicContact CH2-CB 3.85Å; W184-I376 VanDerWaalsContact CH2-N 3.35Å; W184-I376 HydrophobicContact CZ2-CB 3.83Å; W184-I376 HydrophobicContact CZ2-CD1 4.46Å; W184-I376 HydrophobicContact CZ2-CG1 4.27Å; W184-I376 HydrophobicContact CZ3-CB 4.45Å; W184-A379 HydrophobicContact CB-CB 3.76Å; W184-A379 HydrophobicContact CD2-CB 4.07Å; W184-A379 HydrophobicContact CE3-CB 3.88Å; W184-A379 HydrophobicContact CG-CB 4.1Å
185K68.1Low64.7Low63 Ų6337.1 Ų37.127%0.27419%0.189SC..THydrogen-bonded Turntrans-84.1-1.1173.5-71.6-167.5178.9-179.10114.6F183 M187 N206 E208F183-K185 VanDerWaalsContact C-N 3.3Å; F183-K185 PolarHBondContact O-N 3Å; K185-M187 PolarHBondContact O-N 3.32Å; K185-M187 VanDerWaalsContact O-N 3.12Å; K185-N206 VanDerWaalsContact CB-O 3.24Å; K185-N206 WeakPolarHBondContact CB-O 3.36Å; K185-N206 HydrophobicContact CD-CB 4.42Å; K185-N206 PolarHBondContact NZ-ND2 3.1Å; K185-E208 HydrophobicContact CD-CB 4.06Å; K185-E208 HydrophobicContact CD-CG 4.34Å; K185-E208 VanDerWaalsContact CE-CD 3.41Å; K185-E208 WeakPolarHBondContact CE-OE1 3.35Å; K185-E208 WeakPolarHBondContact CE-OE2 3.21Å; K185-E208 HydrophobicContact CG-CB 4.29Å; K185-E208 IonicContact NZ-OE1 2.7Å; K185-E208 PolarHBondContact NZ-OE1 3.09Å; K185-E208 IonicContact NZ-OE2 3.14Å; K185-E208 PolarHBondContact NZ-OE2 2.6Å
186S63.7Low61.6Low16 Ų1644.8 Ų44.811%0.11222%0.223CC..  trans-76.696-179.1-60.90000112.2F183 W184 R343 W440F183-S186 WeakPolarHBondContact CB-OG 3.49Å; F183-S186 VanDerWaalsContact O-CB 3.29Å; F183-S186 WeakPolarHBondContact O-CB 3.39Å; F183-S186 PolarHBondContact O-N 3.35Å; F183-S186 VanDerWaalsContact O-N 3.1Å; F183-S186 PolarHBondContact O-OG 2.9Å; W184-S186 VanDerWaalsContact C-N 3.34Å; S186-R343 PolarHBondContact O-NH1 3.1Å; S186-W440 PolarHBondContact O-NE1 2.8Å; S186-W440 VanDerWaalsContact O-NE1 3.14Å
187M54.9Low58.6Low67 Ų6749.2 Ų49.233%0.3325%0.246SC..  trans-88.7163.7173.1-68.9-56.7-69.400112.4K185 E189 Q346 S350K185-M187 PolarHBondContact O-N 3.32Å; K185-M187 VanDerWaalsContact O-N 3.12Å; M187-E189 PolarHBondContact O-N 3.34Å; M187-Q346 HydrophobicContact SD-CG 3.87Å; M187-S350 VanDerWaalsContact CE-CB 3.46Å; M187-S350 WeakPolarHBondContact CE-OG 3.32Å
188P46.7Very low55.8Low27 Ų2752.9 Ų52.918%0.17527%0.265CS..  trans-59.3137.3169.7-17.228.4000110.2N190 L347 W440P188-N190 PolarHBondContact O-N 3.5Å; P188-L347 HydrophobicContact CG-CD2 3.51Å; P188-W440 VanDerWaalsContact CA-CD1 3.43Å; P188-W440 HydrophobicContact CB-CD2 4.22Å; P188-W440 HydrophobicContact CB-CG 4.05Å; P188-W440 HydrophobicContact CG-CD2 3.74Å; P188-W440 HydrophobicContact CG-CE3 4.29Å; P188-W440 HydrophobicContact CG-CG 4.05Å; P188-W440 HydrophobicContact CG-CZ2 4.1Å; P188-W440 VanDerWaalsContact N-CD1 3.29Å; P188-W440 VanDerWaalsContact N-NE1 3.19Å
189E43.7Very low52.9Low63 Ų6357.1 Ų57.129%0.29430%0.295SS..THydrogen-bonded Turntrans-67.2-1.9-168.1-73.6172.2164.400115.3M187 S194 K447M187-E189 PolarHBondContact O-N 3.34Å; E189-S194 PolarHBondContact O-OG 2.61Å; E189-K447 VanDerWaalsContact CD-CE 3.47Å; E189-K447 VanDerWaalsContact OE1-CD 3.29Å; E189-K447 WeakPolarHBondContact OE1-CD 3.28Å; E189-K447 WeakPolarHBondContact OE1-CE 3.25Å; E189-K447 IonicContact OE1-NZ 2.71Å; E189-K447 PolarHBondContact OE1-NZ 3.45Å; E189-K447 WeakPolarHBondContact OE2-CE 3.44Å; E189-K447 IonicContact OE2-NZ 3.21Å; E189-K447 PolarHBondContact OE2-NZ 3.26Å
190N40.3Very low50.1Low38 Ų3859.9 Ų59.920%0.20331%0.31CS..THydrogen-bonded Turntrans-109.44.3-163.3-83.1-44000116.9P188 Q192 R195 L430P188-N190 PolarHBondContact O-N 3.5Å; N190-Q192 PolarHBondContact O-N 2.91Å; N190-R195 PolarHBondContact OD1-NH2 3.46Å; N190-L430 WeakPolarHBondContact O-CD1 3.35Å; N190-L430 WeakPolarHBondContact O-CD2 3.45Å
191S39.3Very low47.3Very low34 Ų3465.6 Ų65.624%0.23835%0.347CS..  trans-62.6139170.679.80000110.1A193 S194 R195S191-A193 PolarHBondContact O-N 3.37Å; S191-S194 PolarHBondContact N-OG 2.98Å; S191-S194 PolarHBondContact O-N 3.41Å; S191-S194 PolarHBondContact O-OG 3.42Å; S191-S194 VanDerWaalsContact OG-CB 3.31Å; S191-S194 WeakPolarHBondContact OG-CB 3.23Å; S191-S194 PolarHBondContact OG-N 2.71Å; S191-S194 PolarHBondContact OG-OG 2.93Å; S191-R195 PolarHBondContact O-N 3.28Å; S191-R195 VanDerWaalsContact O-N 3.17Å
192Q34.9Very low44.9Very low136 Ų13667.3 Ų67.364%0.63638%0.375SS*.Hα-helixtrans-59.5-31.5-177.3-96.2-176.88.700112.3N190N190-Q192 PolarHBondContact O-N 2.91Å
193A36.9Very low42.7Very low41 Ų4172.8 Ų72.834%0.33940%0.399SS..Hα-helixtrans-65.1-45.5171.500000112.3S191 R195 K196 I371S191-A193 PolarHBondContact O-N 3.37Å; A193-R195 VanDerWaalsContact C-N 3.27Å; A193-R195 PolarHBondContact O-N 3.43Å; A193-K196 PolarHBondContact O-N 3.16Å; A193-I371 HydrophobicContact CB-CD1 3.6Å
194S37.1Very low40.9Very low24 Ų2480.4 Ų80.417%0.16843%0.432CS..Hα-helixtrans-64.9-30.6-179.1700000112.4E189 S191 K196 D197 I198E189-S194 PolarHBondContact O-OG 2.61Å; S191-S194 PolarHBondContact N-OG 2.98Å; S191-S194 PolarHBondContact O-N 3.41Å; S191-S194 PolarHBondContact O-OG 3.42Å; S191-S194 VanDerWaalsContact OG-CB 3.31Å; S191-S194 WeakPolarHBondContact OG-CB 3.23Å; S191-S194 PolarHBondContact OG-N 2.71Å; S191-S194 PolarHBondContact OG-OG 2.93Å; S194-K196 VanDerWaalsContact C-N 3.32Å; S194-K196 PolarHBondContact O-N 3.4Å; S194-D197 PolarHBondContact O-N 2.89Å; S194-I198 WeakPolarHBondContact O-CB 3.42Å; S194-I198 WeakPolarHBondContact O-CG1 3.48Å; S194-I198 PolarHBondContact O-N 3.42Å
195R33.2Very low39.6Very low103 Ų10383.9 Ų83.939%0.38945%0.451SS..Hα-helixtrans-62-33.7176.4-70.4-178.3178.4164.4-0.1114N190 S191 A193 D197 C199 L430N190-R195 PolarHBondContact OD1-NH2 3.46Å; S191-R195 PolarHBondContact O-N 3.28Å; S191-R195 VanDerWaalsContact O-N 3.17Å; A193-R195 VanDerWaalsContact C-N 3.27Å; A193-R195 PolarHBondContact O-N 3.43Å; R195-D197 VanDerWaalsContact C-N 3.32Å; R195-D197 PolarHBondContact O-N 3.34Å; R195-C199 WeakPolarHBondContact O-CB 3.29Å; R195-C199 PolarHBondContact O-N 2.98Å; R195-L430 VanDerWaalsContact NH1-CD2 3.33Å
196K33.4Very low38.4Very low162 Ų16285.1 Ų85.170%0.70446%0.46SS*.Hα-helixtrans-70.3-27.6176.9-72.6-177.8177.5175.50112.6A193 S194A193-K196 PolarHBondContact O-N 3.16Å; S194-K196 VanDerWaalsContact C-N 3.32Å; S194-K196 PolarHBondContact O-N 3.4Å
197D34.9Very low38Very low92 Ų9289.7 Ų89.749%0.49248%0.479SS..Hα-helixtrans-94.7-28176.9-89.7-51.7000114.6S194 R195 K203S194-D197 PolarHBondContact O-N 2.89Å; R195-D197 VanDerWaalsContact C-N 3.32Å; R195-D197 PolarHBondContact O-N 3.34Å; D197-K203 WeakPolarHBondContact O-CD 3.45Å; D197-K203 IonicContact OD1-NZ 2.88Å; D197-K203 PolarHBondContact OD1-NZ 3.28Å
198I36.8Very low38.7Very low78 Ų7889.5 Ų89.540%0.448%0.477SS..Hα-helixtrans-80.5-27.4-178.8-70169.9000112.1S194S194-I198 WeakPolarHBondContact O-CB 3.42Å; S194-I198 WeakPolarHBondContact O-CG1 3.48Å; S194-I198 PolarHBondContact O-N 3.42Å
199C30.3Very low40.1Very low101 Ų10190 Ų9068%0.68248%0.475SS*.THydrogen-bonded Turntrans-9522.5-176.7-72.40000115.5R195R195-C199 WeakPolarHBondContact O-CB 3.29Å; R195-C199 PolarHBondContact O-N 2.98Å
200L29.4Very low42Very low99 Ų9987.2 Ų87.252%0.51846%0.462SS..SBendtrans-93.5123162.2-72.8175.6000110.1G202 K203L200-G202 PolarHBondContact O-N 3.33Å; L200-K203 HydrophobicContact CD1-CD 4.39Å; L200-K203 PolarHBondContact O-N 3.3Å
201P25.3Very low44.3Very low134 Ų13485.5 Ų85.587%0.8745%0.453SS*.THydrogen-bonded Turntrans-56115176.9-23.433.1000111.2
202G30.6Very low46.8Very low80 Ų8083.9 Ų83.983%0.82544%0.442SS*.THydrogen-bonded Turntrans105-5.6176.100000116.9L200 K204L200-G202 PolarHBondContact O-N 3.33Å; G202-K204 PolarHBondContact O-N 2.96Å
203K32Very low49.6Very low118 Ų11877.5 Ų77.551%0.51341%0.412SS..  trans-76.9109.4174.2-122.9177-177.7176.10110.6D197 L200D197-K203 WeakPolarHBondContact O-CD 3.45Å; D197-K203 IonicContact OD1-NZ 2.88Å; D197-K203 PolarHBondContact OD1-NZ 3.28Å; L200-K203 HydrophobicContact CD1-CD 4.39Å; L200-K203 PolarHBondContact O-N 3.3Å
204K36.7Very low52.4Low200 Ų20075.5 Ų75.587%0.8740%0.396SS*.  trans-63.6134.6173.3-82.5179.9175.4174.60110.1G202 N206G202-K204 PolarHBondContact O-N 2.96Å; K204-N206 PolarHBondContact O-N 3.32Å
205I42.9Very low55.3Low86 Ų8674.5 Ų74.544%0.44139%0.389SS..  trans-49.7129.7160.1-62.9169.9000107.6K207I205-K207 HydrophobicContact CB-CG 4.31Å; I205-K207 HydrophobicContact CG2-CG 4.01Å; I205-K207 PolarHBondContact O-N 2.73Å
206N44.3Very low58.4Low88 Ų8869.6 Ų69.647%0.47137%0.37SS..  trans-73.780.2-179.6-170.95.7000110.6K185 K204 E208K185-N206 VanDerWaalsContact CB-O 3.24Å; K185-N206 WeakPolarHBondContact CB-O 3.36Å; K185-N206 HydrophobicContact CD-CB 4.42Å; K185-N206 PolarHBondContact NZ-ND2 3.1Å; K204-N206 PolarHBondContact O-N 3.32Å; N206-E208 PolarHBondContact ND2-OE1 3.3Å; N206-E208 PolarHBondContact O-N 2.64Å; N206-E208 PolarHBondContact OD1-OE1 2.9Å
207K54.2Low61.5Low113 Ų11361.9 Ų61.949%0.49134%0.337SS..  trans-77.865179.5-65.3-171.8179.2-166.20111.2F183 I205 R209F183-K207 HydrophobicContact CD1-CB 3.94Å; F183-K207 HydrophobicContact CD1-CG 4.48Å; F183-K207 HydrophobicContact CE1-CB 4.3Å; I205-K207 HydrophobicContact CB-CG 4.31Å; I205-K207 HydrophobicContact CG2-CG 4.01Å; I205-K207 PolarHBondContact O-N 2.73Å; K207-R209 PolarHBondContact O-N 3.01Å
208E69.2Low64.5Low63 Ų6357.7 Ų57.729%0.29432%0.315SS..  trans-69.4123.8163.1-81.3169.3-131.800109.1W184 K185 N206W184-E208 HydrophobicContact CZ2-CB 4.38Å; W184-E208 VanDerWaalsContact CZ2-OE2 3.31Å; W184-E208 WeakPolarHBondContact CZ2-OE2 3.28Å; W184-E208 PolarHBondContact N-O 3.14Å; K185-E208 HydrophobicContact CD-CB 4.06Å; K185-E208 HydrophobicContact CD-CG 4.34Å; K185-E208 VanDerWaalsContact CE-CD 3.41Å; K185-E208 WeakPolarHBondContact CE-OE1 3.35Å; K185-E208 WeakPolarHBondContact CE-OE2 3.21Å; K185-E208 HydrophobicContact CG-CB 4.29Å; K185-E208 IonicContact NZ-OE1 2.7Å; K185-E208 PolarHBondContact NZ-OE1 3.09Å; K185-E208 IonicContact NZ-OE2 3.14Å; K185-E208 PolarHBondContact NZ-OE2 2.6Å; N206-E208 PolarHBondContact ND2-OE1 3.3Å; N206-E208 PolarHBondContact O-N 2.64Å; N206-E208 PolarHBondContact OD1-OE1 2.9Å
209R76.4Confident67.2Low37 Ų3755.8 Ų55.814%0.1431%0.305CS..EExtended strand (participates in β ladder)trans-104.1143.5-177.2177.2174.2152.6-173.1-12.1109.5D181 L182 F183 K207 S211 V255 W256D181-R209 VanDerWaalsContact CG-NH2 3.29Å; D181-R209 IonicContact OD1-CZ 3.53Å; D181-R209 IonicContact OD1-NE 2.93Å; D181-R209 PolarHBondContact OD1-NE 2.92Å; D181-R209 IonicContact OD1-NH1 3.51Å; D181-R209 IonicContact OD1-NH2 3.88Å; D181-R209 PolarHBondContact OD1-NH2 3.15Å; D181-R209 IonicContact OD2-CZ 3.46Å; D181-R209 IonicContact OD2-NE 2.71Å; D181-R209 PolarHBondContact OD2-NE 3.38Å; D181-R209 IonicContact OD2-NH1 3.31Å; D181-R209 PolarHBondContact OD2-NH1 3.1Å; D181-R209 IonicContact OD2-NH2 2.98Å; D181-R209 PolarHBondContact OD2-NH2 3.36Å; L182-R209 WeakPolarHBondContact O-CA 3.2Å; F183-R209 HydrophobicContact CD1-CB 4.08Å; F183-R209 HydrophobicContact CE1-CB 3.97Å; F183-R209 HydrophobicContact CE1-CG 4.28Å; K207-R209 PolarHBondContact O-N 3.01Å; R209-S211 PolarHBondContact NE-OG 3.23Å; R209-S211 PolarHBondContact NH2-OG 2.88Å; R209-S211 VanDerWaalsContact NH2-OG 3.11Å; R209-V255 HydrophobicContact CG-CG1 4.36Å; R209-V255 WeakPolarHBondContact O-CG1 3.09Å; R209-W256 VanDerWaalsContact NH2-CD2 3.3Å; R209-W256 VanDerWaalsContact NH2-CH2 3.3Å
210L84.9Confident70.3Confident4 Ų451.2 Ų51.22%0.02128%0.276CS..EExtended strand (participates in β ladder)trans-116.1152.2156.8-62.7170.7000107.2L182 W184 I228 I229 Y249 I376L182-L210 HydrophobicContact CB-CB 4.4Å; L182-L210 PolarHBondContact N-O 3.39Å; L182-L210 PolarHBondContact O-N 2.97Å; W184-L210 HydrophobicContact CB-CD1 4.39Å; W184-L210 HydrophobicContact CG-CD1 4.14Å; W184-L210 HydrophobicContact CG-CG 4.41Å; L210-I228 HydrophobicContact CB-CG2 4.03Å; L210-I228 HydrophobicContact CD1-CG2 4.13Å; L210-I228 HydrophobicContact CD2-CG2 4.02Å; L210-I228 HydrophobicContact CG-CG2 4.26Å; L210-I229 WeakPolarHBondContact CA-O 3.47Å; L210-Y249 HydrophobicContact CD2-CE2 4.49Å; L210-I376 HydrophobicContact CD1-CG1 4.48Å; L210-I376 HydrophobicContact CD2-CD1 4.11Å
211S87.1Confident73.5Confident2 Ų249.5 Ų49.51%0.01427%0.269CS..EExtended strand (participates in β ladder)trans-117.6132.1168.8-54.40000107.6T180 D181 R209 I228 I229 V255T180-S211 WeakPolarHBondContact O-CA 3.47Å; D181-S211 PolarHBondContact OD1-OG 2.92Å; R209-S211 PolarHBondContact NE-OG 3.23Å; R209-S211 PolarHBondContact NH2-OG 2.88Å; R209-S211 VanDerWaalsContact NH2-OG 3.11Å; S211-I228 WeakPolarHBondContact O-CA 3.09Å; S211-I229 PolarHBondContact N-O 3.1Å; S211-I229 VanDerWaalsContact N-O 3.1Å; S211-I229 PolarHBondContact O-N 2.95Å; S211-V255 VanDerWaalsContact CB-O 3.26Å; S211-V255 WeakPolarHBondContact CB-O 3.35Å; S211-V255 PolarHBondContact OG-O 2.89Å
212A91.9Very high76.9Confident0 Ų043.6 Ų43.60%023%0.23CC..EExtended strand (participates in β ladder)trans-124.9139.8-175.100000110.3E179 T180 L182 I227 I228 W383E179-A212 CarbonylContact C-O 3.35Å; E179-A212 WeakPolarHBondContact CA-O 3.3Å; T180-A212 PolarHBondContact N-O 3.11Å; T180-A212 PolarHBondContact O-N 3.35Å; L182-A212 HydrophobicContact CD1-CB 3.94Å; A212-I227 CarbonylContact C-O 3.42Å; A212-I227 VanDerWaalsContact CA-O 3.29Å; A212-I227 WeakPolarHBondContact CA-O 3.44Å; A212-I228 HydrophobicContact CB-CG1 4.16Å; A212-W383 HydrophobicContact CB-CZ2 3.77Å
213L94.5Very high80.1Confident2 Ų242.4 Ų42.41%0.0120%0.202CC..EExtended strand (participates in β ladder)trans-103.8132.1169.6166.865.4000108.4D178 E179 S226 I227 F257 F262 W265D178-L213 VanDerWaalsContact C-CD1 3.48Å; D178-L213 WeakPolarHBondContact O-CD1 3.27Å; E179-L213 HydrophobicContact CG-CB 4.5Å; L213-S226 WeakPolarHBondContact O-CA 3.36Å; L213-S226 PolarHBondContact O-OG 3.02Å; L213-I227 HydrophobicContact CB-CG2 3.65Å; L213-I227 HydrophobicContact CD2-CG2 3.88Å; L213-I227 HydrophobicContact CG-CG2 4.15Å; L213-I227 PolarHBondContact N-O 3.32Å; L213-I227 PolarHBondContact O-N 3.31Å; L213-F257 HydrophobicContact CB-CE1 3.92Å; L213-F257 HydrophobicContact CB-CE2 4.26Å; L213-F257 HydrophobicContact CB-CZ 3.52Å; L213-F257 HydrophobicContact CD2-CE1 4.2Å; L213-F262 HydrophobicContact CD2-CD2 4.45Å; L213-F262 HydrophobicContact CD2-CE2 3.89Å; L213-W265 HydrophobicContact CD2-CD2 3.78Å; L213-W265 HydrophobicContact CD2-CE3 3.84Å; L213-W265 HydrophobicContact CD2-CG 4.48Å; L213-W265 HydrophobicContact CD2-CH2 3.94Å; L213-W265 HydrophobicContact CD2-CZ2 3.87Å; L213-W265 HydrophobicContact CD2-CZ3 3.92Å
214L96.1Very high83.2Confident0 Ų037.1 Ų37.10%018%0.18CC..EExtended strand (participates in β ladder)trans-109.3138.6171.1-61.1-175.7000108.7G177 D178 M330 I335 C338 W383 W387G177-L214 VanDerWaalsContact CA-O 3.28Å; G177-L214 WeakPolarHBondContact CA-O 3.26Å; D178-L214 PolarHBondContact N-O 2.73Å; D178-L214 VanDerWaalsContact N-O 3.13Å; D178-L214 PolarHBondContact O-N 2.91Å; L214-M330 HydrophobicContact CB-SD 4.24Å; L214-I335 HydrophobicContact CD1-CG1 4.01Å; L214-C338 HydrophobicContact CD1-CB 3.88Å; L214-W383 HydrophobicContact CD1-CH2 4.2Å; L214-W383 HydrophobicContact CD1-CZ2 3.91Å; L214-W383 HydrophobicContact CD2-CZ2 3.67Å; L214-W383 HydrophobicContact CG-CZ2 3.91Å; L214-W387 HydrophobicContact CB-CH2 4.26Å; L214-W387 HydrophobicContact CB-CZ2 4.34Å; L214-W387 HydrophobicContact CB-CZ3 4.38Å; L214-W387 HydrophobicContact CD1-CD2 4.39Å; L214-W387 HydrophobicContact CD1-CE3 3.8Å; L214-W387 HydrophobicContact CD1-CZ3 3.98Å; L214-W387 HydrophobicContact CD2-CB 4.37Å; L214-W387 HydrophobicContact CD2-CD2 3.66Å; L214-W387 HydrophobicContact CD2-CE3 3.95Å; L214-W387 HydrophobicContact CD2-CG 3.84Å; L214-W387 HydrophobicContact CG-CD2 4.47Å; L214-W387 HydrophobicContact CG-CE3 4.33Å
215C98Very high86Confident3 Ų332.6 Ų32.62%0.0216%0.16CC..EExtended strand (participates in β ladder)trans-145132.3178-171.60000110.8S176 L224 W265S176-C215 WeakPolarHBondContact O-CA 2.94Å; S176-C215 PolarHBondContact O-SG 3.49Å; S176-C215 VanDerWaalsContact O-SG 3.39Å; C215-L224 HydrophobicContact CB-CB 4.34Å; C215-L224 HydrophobicContact CB-CD1 4.26Å; C215-L224 PolarHBondContact O-N 2.83Å; C215-W265 HydrophobicContact CB-CH2 4.18Å; C215-W265 HydrophobicContact CB-CZ2 3.93Å
216A98.3Very high88.5Confident0 Ų028.6 Ų28.60%014%0.14CC..EExtended strand (participates in β ladder)trans-152.2162.7179.800000111.7Y175 S176 H222 K223 M330 W387 I395Y175-A216 WeakPolarHBondContact CA-O 3.3Å; S176-A216 PolarHBondContact N-O 2.61Å; S176-A216 PolarHBondContact O-N 2.77Å; A216-H222 CarbonylContact C-O 3.5Å; A216-H222 WeakPolarHBondContact CA-O 3.37Å; A216-H222 WeakPolarHBondContact CB-O 3.47Å; A216-K223 HydrophobicContact CB-CG 4.04Å; A216-M330 HydrophobicContact CB-CE 3.67Å; A216-M330 VanDerWaalsContact N-CE 3.26Å; A216-W387 HydrophobicContact CB-CH2 3.96Å; A216-W387 HydrophobicContact CB-CZ2 4.06Å; A216-I395 HydrophobicContact CB-CD1 3.99Å; A216-I395 HydrophobicContact CB-CG2 4.11Å
217N98.2Very high90.9Very high0 Ų024.5 Ų24.50%012%0.118CC..EExtended strand (participates in β ladder)trans-85170.7177.267.1-4.3000114.3A172 L174 Y175 D219 G220 T221 H222 I395A172-N217 WeakPolarHBondContact CA-ND2 3.14Å; A172-N217 PolarHBondContact O-ND2 2.99Å; L174-N217 CarbonylContact O-C 3.57Å; L174-N217 WeakPolarHBondContact O-CA 3.35Å; L174-N217 WeakPolarHBondContact O-CB 3.43Å; Y175-N217 HydrophobicContact CD1-CB 3.98Å; Y175-N217 HydrophobicContact CD2-CB 4.38Å; Y175-N217 HydrophobicContact CE1-CB 3.66Å; Y175-N217 HydrophobicContact CE2-CB 4.06Å; Y175-N217 HydrophobicContact CG-CB 4.31Å; N217-D219 VanDerWaalsContact CG-OD1 3.29Å; N217-D219 PolarHBondContact ND2-OD1 3.2Å; N217-D219 VanDerWaalsContact ND2-OD1 3.14Å; N217-D219 PolarHBondContact O-N 3.05Å; N217-D219 PolarHBondContact OD1-OD1 2.99Å; N217-G220 PolarHBondContact O-N 2.99Å; N217-G220 VanDerWaalsContact O-N 3.15Å; N217-G220 WeakPolarHBondContact OD1-CA 3.39Å; N217-G220 PolarHBondContact OD1-N 2.73Å; N217-T221 PolarHBondContact ND2-OG1 2.88Å; N217-T221 PolarHBondContact OD1-N 3.03Å; N217-H222 HydrophobicContact CB-CB 4.46Å; N217-H222 PolarHBondContact N-O 3.34Å; N217-H222 WeakPolarHBondContact ND2-CB 3.36Å; N217-H222 PolarHBondContact ND2-N 3.34Å; N217-H222 PolarHBondContact OD1-N 3.26Å; N217-H222 PolarHBondContact OD1-O 2.95Å; N217-I395 WeakPolarHBondContact O-CG2 3.19Å
218A97.4Very high92.6Very high3 Ų319.1 Ų19.13%0.0259%0.094CC..THydrogen-bonded Turntrans-75.1-21.2-168.900000115.8L171 L174 W399L171-A218 HydrophobicContact CB-CB 4.09Å; L171-A218 HydrophobicContact CD2-CB 4.02Å; L171-A218 WeakPolarHBondContact O-CB 3.29Å; L171-A218 PolarHBondContact O-N 3.45Å; L174-A218 HydrophobicContact CB-CB 3.86Å; L174-A218 PolarHBondContact O-N 3.25Å; A218-W399 VanDerWaalsContact CA-CE2 3.49Å; A218-W399 HydrophobicContact CB-CB 4.45Å; A218-W399 HydrophobicContact CB-CD2 3.42Å; A218-W399 VanDerWaalsContact CB-CD2 3.42Å; A218-W399 HydrophobicContact CB-CE3 3.69Å; A218-W399 HydrophobicContact CB-CG 3.78Å; A218-W399 HydrophobicContact CB-CH2 4.15Å; A218-W399 HydrophobicContact CB-CZ2 3.91Å; A218-W399 HydrophobicContact CB-CZ3 4.06Å
219D94Very high93.5Very high38 Ų3816.1 Ų16.120%0.2038%0.08CC..THydrogen-bonded Turntrans-95-0.517057.729.9000113L171 A172 N217 T221 Q392L171-D219 HydrophobicContact CB-CB 4Å; A172-D219 WeakPolarHBondContact CA-OD2 3.35Å; A172-D219 WeakPolarHBondContact CB-OD2 3.26Å; A172-D219 PolarHBondContact N-OD2 3.01Å; N217-D219 VanDerWaalsContact CG-OD1 3.29Å; N217-D219 PolarHBondContact ND2-OD1 3.2Å; N217-D219 VanDerWaalsContact ND2-OD1 3.14Å; N217-D219 PolarHBondContact O-N 3.05Å; N217-D219 PolarHBondContact OD1-OD1 2.99Å; D219-T221 HydrophobicContact CB-CG2 4.45Å; D219-T221 PolarHBondContact O-N 3.26Å; D219-T221 VanDerWaalsContact OD1-CB 3.29Å; D219-T221 WeakPolarHBondContact OD1-CB 3.13Å; D219-T221 VanDerWaalsContact OD1-CG2 3.3Å; D219-T221 WeakPolarHBondContact OD1-CG2 3.12Å; D219-T221 PolarHBondContact OD1-N 3.4Å; D219-T221 PolarHBondContact OD1-OG1 3.09Å; D219-Q392 WeakPolarHBondContact O-CG 3.17Å; D219-Q392 PolarHBondContact O-NE2 2.68Å
220G94.7Very high93.9Very high6 Ų614.3 Ų14.36%0.0627%0.073CC..SBendtrans66.99.4-17900000115.5N217 H222N217-G220 PolarHBondContact O-N 2.99Å; N217-G220 VanDerWaalsContact O-N 3.15Å; N217-G220 WeakPolarHBondContact OD1-CA 3.39Å; N217-G220 PolarHBondContact OD1-N 2.73Å; G220-H222 VanDerWaalsContact C-N 3.25Å; G220-H222 PolarHBondContact O-N 2.86Å
221T96Very high93.4Very high63 Ų6320.5 Ų20.539%0.38710%0.1SC..SBendtrans-68.9-22.8177.556.70000113.2N217 D219 Q392N217-T221 PolarHBondContact ND2-OG1 2.88Å; N217-T221 PolarHBondContact OD1-N 3.03Å; D219-T221 HydrophobicContact CB-CG2 4.45Å; D219-T221 PolarHBondContact O-N 3.26Å; D219-T221 VanDerWaalsContact OD1-CB 3.29Å; D219-T221 WeakPolarHBondContact OD1-CB 3.13Å; D219-T221 VanDerWaalsContact OD1-CG2 3.3Å; D219-T221 WeakPolarHBondContact OD1-CG2 3.12Å; D219-T221 PolarHBondContact OD1-N 3.4Å; D219-T221 PolarHBondContact OD1-OG1 3.09Å; T221-Q392 VanDerWaalsContact CG2-NE2 3.27Å
222H97.8Very high92.5Very high10 Ų1023.8 Ų23.85%0.04612%0.123CC..  trans-128.6116.7-179.2-171.7-157.4000111Y175 A216 N217 G220 F277Y175-H222 HydrophobicContact CE1-CB 4.4Å; Y175-H222 AromaticContact CE1-ND1 3.5Å; Y175-H222 WeakPolarHBondContact CE1-ND1 3.39Å; Y175-H222 AromaticContact CZ-ND1 3.6Å; Y175-H222 PolarHBondContact OH-ND1 3.27Å; A216-H222 CarbonylContact C-O 3.5Å; A216-H222 WeakPolarHBondContact CA-O 3.37Å; A216-H222 WeakPolarHBondContact CB-O 3.47Å; N217-H222 HydrophobicContact CB-CB 4.46Å; N217-H222 PolarHBondContact N-O 3.34Å; N217-H222 WeakPolarHBondContact ND2-CB 3.36Å; N217-H222 PolarHBondContact ND2-N 3.34Å; N217-H222 PolarHBondContact OD1-N 3.26Å; N217-H222 PolarHBondContact OD1-O 2.95Å; G220-H222 VanDerWaalsContact C-N 3.25Å; G220-H222 PolarHBondContact O-N 2.86Å; H222-F277 HydrophobicContact CB-CD1 3.9Å; H222-F277 HydrophobicContact CB-CD2 4.08Å; H222-F277 HydrophobicContact CB-CE1 3.65Å; H222-F277 HydrophobicContact CB-CE2 3.86Å; H222-F277 HydrophobicContact CB-CG 4.11Å; H222-F277 HydrophobicContact CB-CZ 3.65Å; H222-F277 AromaticContact CD2-CD2 3.92Å; H222-F277 AromaticContact CE1-CG 3.95Å; H222-F277 AromaticContact CG-CD1 3.87Å; H222-F277 AromaticContact CG-CD2 3.79Å; H222-F277 AromaticContact CG-CG 3.69Å; H222-F277 AromaticContact ND1-CD1 3.67Å; H222-F277 AromaticContact ND1-CG 3.56Å
223K97.5Very high91.3Very high55 Ų5531.4 Ų31.424%0.23916%0.156CC..BIsolated β-bridgetrans-109.3125168.4-68.7-175.1-68-169.40108.1A216 W387 D388 V390 I395A216-K223 HydrophobicContact CB-CG 4.04Å; K223-W387 HydrophobicContact CB-CZ2 3.67Å; K223-W387 HydrophobicContact CD-CD2 4.22Å; K223-W387 HydrophobicContact CD-CE3 4.36Å; K223-W387 HydrophobicContact CD-CH2 3.93Å; K223-W387 HydrophobicContact CD-CZ2 3.79Å; K223-W387 HydrophobicContact CD-CZ3 4.21Å; K223-W387 HydrophobicContact CG-CH2 4.02Å; K223-W387 HydrophobicContact CG-CZ2 3.64Å; K223-W387 PolarHBondContact NZ-O 2.75Å; K223-D388 PolarHBondContact NZ-O 3.25Å; K223-V390 PolarHBondContact NZ-O 3.17Å; K223-I395 HydrophobicContact CD-CD1 3.64Å; K223-I395 HydrophobicContact CG-CD1 3.75Å
224L97.3Very high90Very high7 Ų731.7 Ų31.74%0.03716%0.158CC..PPolyproline II helixtrans-75.9149.8174.3-75.184.5000110.3Y175 C215 S226 W265 F270 W387Y175-L224 HydrophobicContact CD1-CD1 3.69Å; Y175-L224 HydrophobicContact CE1-CD1 3.6Å; C215-L224 HydrophobicContact CB-CB 4.34Å; C215-L224 HydrophobicContact CB-CD1 4.26Å; C215-L224 PolarHBondContact O-N 2.83Å; L224-S226 PolarHBondContact O-N 2.67Å; L224-W265 HydrophobicContact CD2-CZ2 4.3Å; L224-F270 HydrophobicContact CD1-CD2 4.43Å; L224-F270 HydrophobicContact CD1-CE2 4.47Å; L224-F270 HydrophobicContact CD2-CB 4.17Å; L224-F270 HydrophobicContact CD2-CD2 3.52Å; L224-F270 HydrophobicContact CD2-CE2 4.32Å; L224-F270 HydrophobicContact CD2-CG 4.25Å; L224-W387 PolarHBondContact O-NE1 2.77Å
225K95.3Very high88.1Confident104 Ų10434.7 Ų34.745%0.45218%0.177SC..PPolyproline II helixtrans-55.9120.6171.1-176.4176.1-71.7-167.80109.7L245 I248K225-L245 PolarHBondContact NZ-O 3.32Å; K225-I248 HydrophobicContact CB-CD1 4.48Å; K225-I248 HydrophobicContact CD-CG1 3.99Å; K225-I248 HydrophobicContact CG-CG1 4.21Å
226S95.4Very high86Confident3 Ų343.1 Ų43.12%0.02121%0.214CC..PPolyproline II helixtrans-60.9138.8-179.2-176.90000110.8L213 L224 V247 I248 W383L213-S226 WeakPolarHBondContact O-CA 3.36Å; L213-S226 PolarHBondContact O-OG 3.02Å; L224-S226 PolarHBondContact O-N 2.67Å; S226-V247 WeakPolarHBondContact O-CA 3.44Å; S226-V247 WeakPolarHBondContact O-CB 3.38Å; S226-I248 PolarHBondContact O-N 3.01Å; S226-W383 PolarHBondContact OG-NE1 3.06Å; S226-W383 VanDerWaalsContact OG-NE1 3.09Å
227I94.1Very high83.8Confident1 Ų148.2 Ų48.21%0.00525%0.249CC..EExtended strand (participates in β ladder)trans-98.7127.7171178.1173.7000109.4A212 L213 I248 K250 F257 W265A212-I227 CarbonylContact C-O 3.42Å; A212-I227 VanDerWaalsContact CA-O 3.29Å; A212-I227 WeakPolarHBondContact CA-O 3.44Å; L213-I227 HydrophobicContact CB-CG2 3.65Å; L213-I227 HydrophobicContact CD2-CG2 3.88Å; L213-I227 HydrophobicContact CG-CG2 4.15Å; L213-I227 PolarHBondContact N-O 3.32Å; L213-I227 PolarHBondContact O-N 3.31Å; I227-I248 CarbonylContact C-O 3.55Å; I227-I248 VanDerWaalsContact CA-O 3.27Å; I227-I248 WeakPolarHBondContact CA-O 3.46Å; I227-I248 HydrophobicContact CB-CB 3.99Å; I227-I248 HydrophobicContact CB-CG2 4.35Å; I227-I248 HydrophobicContact CD1-CG2 4.11Å; I227-I248 HydrophobicContact CG1-CB 4.11Å; I227-I248 HydrophobicContact CG1-CG2 3.98Å; I227-I248 WeakPolarHBondContact CG1-O 3.28Å; I227-K250 HydrophobicContact CD1-CG 3.91Å; I227-K250 HydrophobicContact CG1-CG 4.35Å; I227-F257 HydrophobicContact CD1-CE1 4.47Å; I227-F257 HydrophobicContact CG2-CE1 3.9Å; I227-F257 HydrophobicContact CG2-CZ 4.04Å; I227-W265 HydrophobicContact CD1-CB 3.99Å; I227-W265 HydrophobicContact CD1-CG 4.24Å; I227-W265 HydrophobicContact CG2-CG 4.15Å
228I91.4Very high81.8Confident0 Ų049.1 Ų49.10%025%0.254CS..EExtended strand (participates in β ladder)trans-113.1129.3179.6-64.9-171.3000109.9L210 S211 A212 V247 I248 Y249 K250 I380 W383L210-I228 HydrophobicContact CB-CG2 4.03Å; L210-I228 HydrophobicContact CD1-CG2 4.13Å; L210-I228 HydrophobicContact CD2-CG2 4.02Å; L210-I228 HydrophobicContact CG-CG2 4.26Å; S211-I228 WeakPolarHBondContact O-CA 3.09Å; A212-I228 HydrophobicContact CB-CG1 4.16Å; I228-V247 HydrophobicContact CB-CG2 4.38Å; I228-V247 HydrophobicContact CD1-CB 4.24Å; I228-V247 HydrophobicContact CD1-CG1 3.92Å; I228-V247 HydrophobicContact CD1-CG2 4.06Å; I228-V247 HydrophobicContact CG1-CB 4.23Å; I228-V247 HydrophobicContact CG1-CG1 4.31Å; I228-V247 HydrophobicContact CG1-CG2 4.21Å; I228-I248 PolarHBondContact N-O 3.08Å; I228-Y249 HydrophobicContact CB-CD2 4.32Å; I228-Y249 HydrophobicContact CG2-CD2 4.05Å; I228-Y249 HydrophobicContact CG2-CE2 4.13Å; I228-Y249 WeakPolarHBondContact O-CA 3.05Å; I228-K250 PolarHBondContact O-N 3.3Å; I228-I380 HydrophobicContact CD1-CG1 4.14Å; I228-W383 HydrophobicContact CD1-CB 4.3Å; I228-W383 HydrophobicContact CD1-CG 4.11Å
229I87Confident79.4Confident0 Ų053.7 Ų53.70%027%0.274CS..EExtended strand (participates in β ladder)trans-102131.9171-57.4-174.5000110.3L210 S211 K250 V255 F257 L261L210-I229 WeakPolarHBondContact CA-O 3.47Å; S211-I229 PolarHBondContact N-O 3.1Å; S211-I229 VanDerWaalsContact N-O 3.1Å; S211-I229 PolarHBondContact O-N 2.95Å; I229-K250 VanDerWaalsContact CA-O 3.3Å; I229-K250 WeakPolarHBondContact CA-O 3.5Å; I229-V255 VanDerWaalsContact O-CG1 3.29Å; I229-V255 WeakPolarHBondContact O-CG1 3.27Å; I229-F257 HydrophobicContact CD1-CB 4.08Å; I229-F257 HydrophobicContact CD1-CD1 3.52Å; I229-F257 HydrophobicContact CD1-CD2 3.57Å; I229-F257 HydrophobicContact CD1-CE1 3.67Å; I229-F257 HydrophobicContact CD1-CE2 3.72Å; I229-F257 HydrophobicContact CD1-CG 3.45Å; I229-F257 VanDerWaalsContact CD1-CG 3.45Å; I229-F257 HydrophobicContact CD1-CZ 3.76Å; I229-F257 HydrophobicContact CG1-CD1 4.48Å; I229-F257 HydrophobicContact CG1-CD2 4.38Å; I229-F257 HydrophobicContact CG1-CE1 4.16Å; I229-F257 HydrophobicContact CG1-CE2 4.05Å; I229-F257 HydrophobicContact CG1-CZ 3.92Å; I229-L261 HydrophobicContact CD1-CD1 3.91Å
230G84.6Confident77.4Confident0 Ų061.1 Ų61.10%031%0.307CS..EExtended strand (participates in β ladder)trans-139.5158.5178.500000114.1S232 Y249 K250 P251 S252G230-S232 VanDerWaalsContact C-N 3.33Å; G230-S232 PolarHBondContact O-N 2.62Å; G230-Y249 WeakPolarHBondContact CA-OH 3.43Å; G230-K250 PolarHBondContact N-O 3.3Å; G230-P251 CarbonylContact O-C 3.46Å; G230-P251 WeakPolarHBondContact O-CA 3.19Å; G230-S252 PolarHBondContact O-N 3.31Å; G230-S252 VanDerWaalsContact O-O 3.12Å
231K74.4Confident75.5Confident134 Ų13464.5 Ų64.558%0.58332%0.324SS*.SBendtrans-58.7-36.6-172.9-73.3-166.8173.9-172.60115.5S252 V255K231-S252 VanDerWaalsContact CA-O 3.32Å; K231-S252 WeakPolarHBondContact CA-O 3.48Å; K231-V255 HydrophobicContact CB-CG2 4.3Å; K231-V255 HydrophobicContact CD-CG2 4.05Å; K231-V255 HydrophobicContact CG-CG2 3.16Å
232S68.9Low73.9Confident71 Ų7165.2 Ų65.250%0.49733%0.329SS..SBendtrans-128156.7-167.751.20000110.8G230 L234 Y249G230-S232 VanDerWaalsContact C-N 3.33Å; G230-S232 PolarHBondContact O-N 2.62Å; S232-L234 PolarHBondContact O-N 3.11Å; S232-Y249 PolarHBondContact O-OH 3.18Å
233K67Low72.3Confident160 Ų16068.5 Ų68.570%0.69635%0.353SS*.PPolyproline II helixtrans-60.2136.6163.3-63.8-172.8177.8-172.80108P251K233-P251 HydrophobicContact CG-CB 4.2Å; K233-P251 HydrophobicContact CG-CG 4.13Å
234L66.9Low71.1Confident7 Ų770.9 Ų70.94%0.03737%0.372CS..PPolyproline II helixtrans-54.5147.8-179.6-70.9169.1000111.7S232 V238 K239 L245 Y249 I376 I380S232-L234 PolarHBondContact O-N 3.11Å; L234-V238 HydrophobicContact CB-CB 4.2Å; L234-V238 HydrophobicContact CB-CG1 4.47Å; L234-V238 HydrophobicContact CD1-CG1 4.11Å; L234-K239 WeakPolarHBondContact O-CE 3.41Å; L234-L245 HydrophobicContact CD1-CD1 3.54Å; L234-Y249 HydrophobicContact CD1-CD1 3.78Å; L234-Y249 HydrophobicContact CD1-CD2 4.05Å; L234-Y249 HydrophobicContact CD1-CE1 4.15Å; L234-Y249 HydrophobicContact CD1-CE2 4.38Å; L234-Y249 HydrophobicContact CD1-CG 3.72Å; L234-Y249 HydrophobicContact CD2-CD2 4.35Å; L234-Y249 HydrophobicContact CD2-CE1 4.2Å; L234-Y249 HydrophobicContact CD2-CE2 3.91Å; L234-Y249 HydrophobicContact CG-CD1 3.82Å; L234-Y249 HydrophobicContact CG-CD2 4.31Å; L234-Y249 HydrophobicContact CG-CE1 3.65Å; L234-Y249 HydrophobicContact CG-CE2 4.15Å; L234-Y249 HydrophobicContact CG-CG 4.14Å; L234-I376 HydrophobicContact CD2-CD1 3.87Å; L234-I376 HydrophobicContact CD2-CG1 4.07Å; L234-I376 HydrophobicContact CD2-CG2 3.88Å; L234-I380 HydrophobicContact CD1-CD1 4.22Å; L234-I380 HydrophobicContact CD2-CD1 3.83Å
235P56.1Low70.4Confident64 Ų6470.8 Ų70.842%0.41637%0.371SS..PPolyproline II helixtrans-55.5152.2178.6-24.834.5000112.3S237 V238P235-S237 PolarHBondContact O-N 3.16Å; P235-S237 VanDerWaalsContact O-N 3.1Å; P235-V238 PolarHBondContact O-N 2.98Å
236K53.2Low70.2Confident180 Ų18067.8 Ų67.878%0.78336%0.363SS*.G310 helixtrans-54.4-33-177.7-73.4-172.1177.3-1760113.4V238 K239K236-V238 PolarHBondContact O-N 3.2Å; K236-V238 VanDerWaalsContact O-N 3.09Å; K236-K239 HydrophobicContact CG-CD 4.26Å; K236-K239 WeakPolarHBondContact O-CB 3.42Å; K236-K239 PolarHBondContact O-N 2.71Å
237S53Low70Confident107 Ų10767.8 Ų67.875%0.74836%0.362SS*.G310 helixtrans-67.50.8173.950.10000115.6P235P235-S237 PolarHBondContact O-N 3.16Å; P235-S237 VanDerWaalsContact O-N 3.1Å
238V55.4Low69.9Low18 Ų1869.3 Ų69.311%0.10937%0.37CS..G310 helixtrans-124.15.5174.5-162.10000110.4L234 P235 K236 L245 K377L234-V238 HydrophobicContact CB-CB 4.2Å; L234-V238 HydrophobicContact CB-CG1 4.47Å; L234-V238 HydrophobicContact CD1-CG1 4.11Å; P235-V238 PolarHBondContact O-N 2.98Å; K236-V238 PolarHBondContact O-N 3.2Å; K236-V238 VanDerWaalsContact O-N 3.09Å; V238-L245 HydrophobicContact CG1-CD2 4.11Å; V238-K377 HydrophobicContact CG1-CB 4.41Å; V238-K377 HydrophobicContact CG1-CD 4.42Å; V238-K377 HydrophobicContact CG1-CG 4.27Å; V238-K377 HydrophobicContact CG2-CB 4.24Å; V238-K377 HydrophobicContact CG2-CD 4.44Å
239K48.4Very low69.8Low100 Ų10070.5 Ų70.544%0.43538%0.375SS..  trans-94.4-10.6-172.5-74.6-170.1-169.9-176.50115.7L234 K236 D241L234-K239 WeakPolarHBondContact O-CE 3.41Å; K236-K239 HydrophobicContact CG-CD 4.26Å; K236-K239 WeakPolarHBondContact O-CB 3.42Å; K236-K239 PolarHBondContact O-N 2.71Å; K239-D241 WeakPolarHBondContact O-CA 3.48Å; K239-D241 PolarHBondContact O-N 3.3Å; K239-D241 VanDerWaalsContact O-N 3.13Å
240E50.6Low69.8Low194 Ų19472.4 Ų72.491%0.90738%0.383SS*.THydrogen-bonded Turntrans-62.9-25-169.3-72.9-177.4166.500113.2
241D55.6Low69.8Low76 Ų7675.2 Ų75.241%0.40640%0.401SS..THydrogen-bonded Turntrans-155.9126.8139.3-149.3-30.6000113K239 S243 T244K239-D241 WeakPolarHBondContact O-CA 3.48Å; K239-D241 PolarHBondContact O-N 3.3Å; K239-D241 VanDerWaalsContact O-N 3.13Å; D241-S243 PolarHBondContact O-N 3.46Å; D241-S243 WeakPolarHBondContact OD1-CB 3.37Å; D241-S243 PolarHBondContact OD1-N 3.47Å; D241-S243 PolarHBondContact OD1-OG 2.89Å; D241-S243 VanDerWaalsContact OD1-OG 3.07Å; D241-S243 PolarHBondContact OD2-OG 3.42Å; D241-T244 HydrophobicContact CB-CG2 3.79Å; D241-T244 PolarHBondContact O-N 3.32Å; D241-T244 PolarHBondContact O-OG1 2.91Å
242T61.2Low70.1Confident79 Ų7969.7 Ų69.749%0.48538%0.38SS..G310 helixtrans-65.2-18.116835.90000112.8T244 L245T242-T244 VanDerWaalsContact C-N 3.33Å; T242-L245 HydrophobicContact CG2-CD1 4.24Å
243S64.4Low70.3Confident79 Ų7975 Ų7555%0.55239%0.394SS*.G310 helixtrans-68.4-29.8173.179.70000113D241 L245D241-S243 PolarHBondContact O-N 3.46Å; D241-S243 WeakPolarHBondContact OD1-CB 3.37Å; D241-S243 PolarHBondContact OD1-N 3.47Å; D241-S243 PolarHBondContact OD1-OG 2.89Å; D241-S243 VanDerWaalsContact OD1-OG 3.07Å; D241-S243 PolarHBondContact OD2-OG 3.42Å; S243-L245 PolarHBondContact O-N 3.08Å
244T72.9Confident70.4Confident104 Ų10473 Ų7364%0.63839%0.391SS*.G310 helixtrans-76.9-6.8179.563.90000113.7D241 T242D241-T244 HydrophobicContact CB-CG2 3.79Å; D241-T244 PolarHBondContact O-N 3.32Å; D241-T244 PolarHBondContact O-OG1 2.91Å; T242-T244 VanDerWaalsContact C-N 3.33Å
245L83.6Confident70.6Confident6 Ų672.8 Ų72.83%0.03139%0.39CS..SBendtrans-69.6141.6177.7-66.7174.9000110.8K225 L234 V238 T242 S243 V247 I380 F381K225-L245 PolarHBondContact NZ-O 3.32Å; L234-L245 HydrophobicContact CD1-CD1 3.54Å; V238-L245 HydrophobicContact CG1-CD2 4.11Å; T242-L245 HydrophobicContact CG2-CD1 4.24Å; S243-L245 PolarHBondContact O-N 3.08Å; L245-V247 HydrophobicContact CB-CG2 4.49Å; L245-V247 WeakPolarHBondContact CB-O 3.4Å; L245-V247 PolarHBondContact O-N 3.22Å; L245-V247 VanDerWaalsContact O-N 3.08Å; L245-I380 HydrophobicContact CD2-CG2 4.49Å; L245-F381 HydrophobicContact CD2-CE2 3.87Å
246P89.5Confident71.5Confident41 Ų4176.9 Ų76.927%0.26640%0.397SS..SBendtrans-74.96.3175.735.2-38.5000112.5F381 A384P246-F381 HydrophobicContact CG-CD1 4.03Å; P246-F381 HydrophobicContact CG-CD2 4.3Å; P246-F381 HydrophobicContact CG-CE1 4.15Å; P246-F381 HydrophobicContact CG-CE2 4.42Å; P246-F381 HydrophobicContact CG-CG 4.11Å; P246-F381 HydrophobicContact CG-CZ 4.35Å; P246-A384 HydrophobicContact CB-CB 3.53Å; P246-A384 HydrophobicContact CG-CB 3.6Å
247V91.8Very high72.8Confident3 Ų369 Ų692%0.01836%0.363CS..SBendtrans-134159.3175-53.10000109.9S226 I228 L245 Y249 I380 A384S226-V247 WeakPolarHBondContact O-CA 3.44Å; S226-V247 WeakPolarHBondContact O-CB 3.38Å; I228-V247 HydrophobicContact CB-CG2 4.38Å; I228-V247 HydrophobicContact CD1-CB 4.24Å; I228-V247 HydrophobicContact CD1-CG1 3.92Å; I228-V247 HydrophobicContact CD1-CG2 4.06Å; I228-V247 HydrophobicContact CG1-CB 4.23Å; I228-V247 HydrophobicContact CG1-CG1 4.31Å; I228-V247 HydrophobicContact CG1-CG2 4.21Å; L245-V247 HydrophobicContact CB-CG2 4.49Å; L245-V247 WeakPolarHBondContact CB-O 3.4Å; L245-V247 PolarHBondContact O-N 3.22Å; L245-V247 VanDerWaalsContact O-N 3.08Å; V247-Y249 PolarHBondContact O-N 3.41Å; V247-I380 HydrophobicContact CB-CG2 4.4Å; V247-I380 HydrophobicContact CG1-CG2 4.09Å; V247-I380 HydrophobicContact CG2-CG2 3.44Å; V247-I380 VanDerWaalsContact CG2-CG2 3.44Å; V247-A384 HydrophobicContact CG1-CB 3.83Å
248I91.6Very high74.2Confident33 Ų3366.3 Ų66.317%0.16934%0.342CS..EExtended strand (participates in β ladder)trans-82.8112.1165.8-59.9156.1000107.4K225 S226 I227 I228 N269K225-I248 HydrophobicContact CB-CD1 4.48Å; K225-I248 HydrophobicContact CD-CG1 3.99Å; K225-I248 HydrophobicContact CG-CG1 4.21Å; S226-I248 PolarHBondContact O-N 3.01Å; I227-I248 CarbonylContact C-O 3.55Å; I227-I248 VanDerWaalsContact CA-O 3.27Å; I227-I248 WeakPolarHBondContact CA-O 3.46Å; I227-I248 HydrophobicContact CB-CB 3.99Å; I227-I248 HydrophobicContact CB-CG2 4.35Å; I227-I248 HydrophobicContact CD1-CG2 4.11Å; I227-I248 HydrophobicContact CG1-CB 4.11Å; I227-I248 HydrophobicContact CG1-CG2 3.98Å; I227-I248 WeakPolarHBondContact CG1-O 3.28Å; I228-I248 PolarHBondContact N-O 3.08Å; I248-N269 HydrophobicContact CD1-CB 3.89Å
249Y89.6Confident75.6Confident24 Ų2471.8 Ų71.89%0.09436%0.36CS..EExtended strand (participates in β ladder)trans-98.5125.6179.2-171.3-88.2000112.3L210 I228 G230 S232 L234 V247 P251 I376 I380L210-Y249 HydrophobicContact CD2-CE2 4.49Å; I228-Y249 HydrophobicContact CB-CD2 4.32Å; I228-Y249 HydrophobicContact CG2-CD2 4.05Å; I228-Y249 HydrophobicContact CG2-CE2 4.13Å; I228-Y249 WeakPolarHBondContact O-CA 3.05Å; G230-Y249 WeakPolarHBondContact CA-OH 3.43Å; S232-Y249 PolarHBondContact O-OH 3.18Å; L234-Y249 HydrophobicContact CD1-CD1 3.78Å; L234-Y249 HydrophobicContact CD1-CD2 4.05Å; L234-Y249 HydrophobicContact CD1-CE1 4.15Å; L234-Y249 HydrophobicContact CD1-CE2 4.38Å; L234-Y249 HydrophobicContact CD1-CG 3.72Å; L234-Y249 HydrophobicContact CD2-CD2 4.35Å; L234-Y249 HydrophobicContact CD2-CE1 4.2Å; L234-Y249 HydrophobicContact CD2-CE2 3.91Å; L234-Y249 HydrophobicContact CG-CD1 3.82Å; L234-Y249 HydrophobicContact CG-CD2 4.31Å; L234-Y249 HydrophobicContact CG-CE1 3.65Å; L234-Y249 HydrophobicContact CG-CE2 4.15Å; L234-Y249 HydrophobicContact CG-CG 4.14Å; V247-Y249 PolarHBondContact O-N 3.41Å; Y249-P251 HydrophobicContact CE1-CB 4.43Å; Y249-I376 HydrophobicContact CE2-CD1 4.47Å; Y249-I380 HydrophobicContact CD2-CD1 3.71Å; Y249-I380 HydrophobicContact CE2-CD1 3.9Å
250K87.4Confident77.4Confident40 Ų4073.3 Ų73.317%0.17437%0.369CS..EExtended strand (participates in β ladder)trans-123.2124.9175-66-70.8-175.5163.20111.3I227 I228 I229 G230 L261 E264I227-K250 HydrophobicContact CD1-CG 3.91Å; I227-K250 HydrophobicContact CG1-CG 4.35Å; I228-K250 PolarHBondContact O-N 3.3Å; I229-K250 VanDerWaalsContact CA-O 3.3Å; I229-K250 WeakPolarHBondContact CA-O 3.5Å; G230-K250 PolarHBondContact N-O 3.3Å; K250-L261 HydrophobicContact CB-CD2 4.3Å; K250-L261 HydrophobicContact CD-CD2 4.49Å; K250-L261 HydrophobicContact CG-CD2 4.41Å; K250-E264 VanDerWaalsContact CE-OE2 3.31Å; K250-E264 WeakPolarHBondContact CE-OE2 3.31Å; K250-E264 IonicContact NZ-OE1 2.83Å; K250-E264 PolarHBondContact NZ-OE1 3.03Å; K250-E264 IonicContact NZ-OE2 2.93Å; K250-E264 PolarHBondContact NZ-OE2 3.3Å
251P83.4Confident79.2Confident59 Ų5965.4 Ų65.438%0.38333%0.333SS..EExtended strand (participates in β ladder)trans-79.4130.6175.131.5-33.2000111.4G230 K233 Y249G230-P251 CarbonylContact O-C 3.46Å; G230-P251 WeakPolarHBondContact O-CA 3.19Å; K233-P251 HydrophobicContact CG-CB 4.2Å; K233-P251 HydrophobicContact CG-CG 4.13Å; Y249-P251 HydrophobicContact CE1-CB 4.43Å
252S81.2Confident80.9Confident19 Ų1961.8 Ų61.813%0.13331%0.314CS..  trans-138.3140.3173.9179.50000110.3G230 K231 D254 V255G230-S252 PolarHBondContact O-N 3.31Å; G230-S252 VanDerWaalsContact O-O 3.12Å; K231-S252 VanDerWaalsContact CA-O 3.32Å; K231-S252 WeakPolarHBondContact CA-O 3.48Å; S252-D254 VanDerWaalsContact C-N 3.3Å; S252-D254 PolarHBondContact O-N 3.49Å; S252-V255 PolarHBondContact O-N 2.97Å
253K72.7Confident82.3Confident183 Ų18359.5 Ų59.580%0.79630%0.301SS*.SBendtrans-58.1-42.7-176.4-69.6-179.9179.6175.20112.2
254D69.4Low83.7Confident117 Ų11758.4 Ų58.463%0.62629%0.287SS*.SBendtrans-97.9-5.5-170.3-55-63.8000113.4S252 W256S252-D254 VanDerWaalsContact C-N 3.3Å; S252-D254 PolarHBondContact O-N 3.49Å; D254-W256 PolarHBondContact O-N 3.06Å; D254-W256 PolarHBondContact O-NE1 2.78Å
255V72Confident84.8Confident3 Ų353.7 Ų53.72%0.01826%0.257CS..SBendtrans64.818.9-175.2-151.20000114.5R209 S211 I229 K231 S252R209-V255 HydrophobicContact CG-CG1 4.36Å; R209-V255 WeakPolarHBondContact O-CG1 3.09Å; S211-V255 VanDerWaalsContact CB-O 3.26Å; S211-V255 WeakPolarHBondContact CB-O 3.35Å; S211-V255 PolarHBondContact OG-O 2.89Å; I229-V255 VanDerWaalsContact O-CG1 3.29Å; I229-V255 WeakPolarHBondContact O-CG1 3.27Å; K231-V255 HydrophobicContact CB-CG2 4.3Å; K231-V255 HydrophobicContact CD-CG2 4.05Å; K231-V255 HydrophobicContact CG-CG2 3.16Å; S252-V255 PolarHBondContact O-N 2.97Å
256W75.4Confident85.4Confident149 Ų14953.4 Ų53.456%0.56426%0.256SS*.SBendtrans-106.6154.5174.8-60.790.7000111R209 D254R209-W256 VanDerWaalsContact NH2-CD2 3.3Å; R209-W256 VanDerWaalsContact NH2-CH2 3.3Å; D254-W256 PolarHBondContact O-N 3.06Å; D254-W256 PolarHBondContact O-NE1 2.78Å
257F78.8Confident85.7Confident16 Ų1655.7 Ų55.77%0.0726%0.262CS..  trans-64.6139.2164.2-74.8-98.1000109.2E179 L213 I227 I229 F262E179-F257 HydrophobicContact CB-CD2 4.43Å; E179-F257 HydrophobicContact CB-CE2 4.5Å; E179-F257 HydrophobicContact CG-CD2 3.41Å; E179-F257 VanDerWaalsContact CG-CD2 3.41Å; E179-F257 HydrophobicContact CG-CE2 3.64Å; E179-F257 HydrophobicContact CG-CG 3.93Å; E179-F257 HydrophobicContact CG-CZ 4.33Å; L213-F257 HydrophobicContact CB-CE1 3.92Å; L213-F257 HydrophobicContact CB-CE2 4.26Å; L213-F257 HydrophobicContact CB-CZ 3.52Å; L213-F257 HydrophobicContact CD2-CE1 4.2Å; I227-F257 HydrophobicContact CD1-CE1 4.47Å; I227-F257 HydrophobicContact CG2-CE1 3.9Å; I227-F257 HydrophobicContact CG2-CZ 4.04Å; I229-F257 HydrophobicContact CD1-CB 4.08Å; I229-F257 HydrophobicContact CD1-CD1 3.52Å; I229-F257 HydrophobicContact CD1-CD2 3.57Å; I229-F257 HydrophobicContact CD1-CE1 3.67Å; I229-F257 HydrophobicContact CD1-CE2 3.72Å; I229-F257 HydrophobicContact CD1-CG 3.45Å; I229-F257 VanDerWaalsContact CD1-CG 3.45Å; I229-F257 HydrophobicContact CD1-CZ 3.76Å; I229-F257 HydrophobicContact CG1-CD1 4.48Å; I229-F257 HydrophobicContact CG1-CD2 4.38Å; I229-F257 HydrophobicContact CG1-CE1 4.16Å; I229-F257 HydrophobicContact CG1-CE2 4.05Å; I229-F257 HydrophobicContact CG1-CZ 3.92Å; F257-F262 HydrophobicContact CD1-CD2 4.45Å
258T83.4Confident85.9Confident49 Ų4961 Ų6130%0.30129%0.287SS..  trans-115.7164169.979.40000108.5E260 L261 F262T258-E260 WeakPolarHBondContact CB-OE2 3.4Å; T258-E260 PolarHBondContact O-N 2.84Å; T258-E260 PolarHBondContact OG1-OE2 3.19Å; T258-L261 HydrophobicContact CG2-CD1 4.34Å; T258-L261 PolarHBondContact O-N 3.47Å; T258-L261 PolarHBondContact OG1-N 3.3Å; T258-F262 PolarHBondContact O-N 3.08Å
259R84.3Confident86.1Confident133 Ų13361.5 Ų61.550%0.50229%0.29SS..Hα-helixtrans-57.1-38.8178.9-72.2175.4178.3-166.9-4.6111.7F262 S263 P299 A300 P302R259-F262 PolarHBondContact O-N 3.17Å; R259-S263 WeakPolarHBondContact O-CB 3.5Å; R259-S263 PolarHBondContact O-N 3Å; R259-S263 PolarHBondContact O-OG 3.35Å; R259-P299 PolarHBondContact NE-O 3.39Å; R259-P299 PolarHBondContact NH2-O 3.2Å; R259-A300 VanDerWaalsContact CA-O 3.26Å; R259-A300 WeakPolarHBondContact CA-O 3.45Å; R259-A300 WeakPolarHBondContact CG-O 3.35Å; R259-A300 PolarHBondContact N-O 3.18Å; R259-P302 HydrophobicContact CB-CG 4.16Å; R259-P302 WeakPolarHBondContact O-CG 3.38Å
260E87.5Confident86.4Confident133 Ų13360.3 Ų60.362%0.62129%0.285SS*.Hα-helixtrans-68.1-44.8-179.3-52.669.9-148.700110.9T258 E264T258-E260 WeakPolarHBondContact CB-OE2 3.4Å; T258-E260 PolarHBondContact O-N 2.84Å; T258-E260 PolarHBondContact OG1-OE2 3.19Å; E260-E264 VanDerWaalsContact O-CB 3.3Å; E260-E264 WeakPolarHBondContact O-CB 3.37Å; E260-E264 PolarHBondContact O-N 3.04Å
261L87.4Confident87Confident28 Ų2858.9 Ų58.915%0.14728%0.28CS..Hα-helixtrans-66.5-36.5176.2-70.6174.2000112.2I229 K250 T258 W265I229-L261 HydrophobicContact CD1-CD1 3.91Å; K250-L261 HydrophobicContact CB-CD2 4.3Å; K250-L261 HydrophobicContact CD-CD2 4.49Å; K250-L261 HydrophobicContact CG-CD2 4.41Å; T258-L261 HydrophobicContact CG2-CD1 4.34Å; T258-L261 PolarHBondContact O-N 3.47Å; T258-L261 PolarHBondContact OG1-N 3.3Å; L261-W265 WeakPolarHBondContact O-CB 3.34Å; L261-W265 PolarHBondContact O-N 2.89Å
262F90.4Very high87.6Confident0 Ų058.9 Ų58.90%028%0.279CS..Hα-helixtrans-70.4-45176.9-163.1-76.7000111.6E179 L213 F257 T258 R259 E264 W265 F266 L295 H301 L307E179-F262 WeakPolarHBondContact OE1-CE2 3.5Å; L213-F262 HydrophobicContact CD2-CD2 4.45Å; L213-F262 HydrophobicContact CD2-CE2 3.89Å; F257-F262 HydrophobicContact CD1-CD2 4.45Å; T258-F262 PolarHBondContact O-N 3.08Å; R259-F262 PolarHBondContact O-N 3.17Å; F262-E264 VanDerWaalsContact C-N 3.32Å; F262-E264 PolarHBondContact O-N 3.38Å; F262-W265 HydrophobicContact CD1-CE3 4.44Å; F262-W265 HydrophobicContact CE1-CE3 4.01Å; F262-W265 AromaticContact CE1-CZ3 3.91Å; F262-W265 HydrophobicContact CE1-CZ3 3.91Å; F262-W265 HydrophobicContact CE2-CE3 4.25Å; F262-W265 HydrophobicContact CE2-CZ3 4.21Å; F262-W265 AromaticContact CZ-CE3 3.9Å; F262-W265 HydrophobicContact CZ-CE3 3.9Å; F262-W265 AromaticContact CZ-CZ3 3.58Å; F262-W265 HydrophobicContact CZ-CZ3 3.58Å; F262-W265 PolarHBondContact O-N 3Å; F262-F266 WeakPolarHBondContact O-CB 3.44Å; F262-F266 PolarHBondContact O-N 3.03Å; F262-L295 HydrophobicContact CE1-CD1 3.64Å; F262-L295 HydrophobicContact CE2-CD1 4.49Å; F262-L295 HydrophobicContact CE2-CD2 4.42Å; F262-L295 HydrophobicContact CZ-CD1 3.41Å; F262-L295 VanDerWaalsContact CZ-CD1 3.41Å; F262-L295 HydrophobicContact CZ-CD2 3.78Å; F262-L295 HydrophobicContact CZ-CG 4.23Å; F262-H301 AromaticContact CD2-CD2 3.54Å; F262-H301 AromaticContact CD2-NE2 3.77Å; F262-H301 AromaticContact CE2-CD2 3.55Å; F262-H301 AromaticContact CE2-NE2 3.43Å; F262-H301 WeakPolarHBondContact CE2-NE2 3.47Å; F262-H301 AromaticContact CG-CD2 3.96Å; F262-H301 AromaticContact CZ-CD2 3.99Å; F262-L307 HydrophobicContact CD1-CD1 4.11Å; F262-L307 HydrophobicContact CD1-CD2 4.19Å; F262-L307 HydrophobicContact CE1-CD1 3.87Å; F262-L307 HydrophobicContact CE1-CD2 4.42Å
263S92.2Very high88.4Confident31 Ų3162.3 Ų62.322%0.21729%0.293CS..Hα-helixtrans-57.7-44.8171.3-71.30000111.7R259 W265 F266 F267 P302R259-S263 WeakPolarHBondContact O-CB 3.5Å; R259-S263 PolarHBondContact O-N 3Å; R259-S263 PolarHBondContact O-OG 3.35Å; S263-W265 PolarHBondContact O-N 3.39Å; S263-F266 PolarHBondContact O-N 3Å; S263-F267 VanDerWaalsContact O-CD2 3.26Å; S263-F267 WeakPolarHBondContact O-CD2 3.43Å; S263-F267 PolarHBondContact O-N 3.37Å; S263-P302 WeakPolarHBondContact OG-CG 3.22Å
264E93.8Very high89.6Confident56 Ų5653.6 Ų53.626%0.26226%0.255SS..Hα-helixtrans-58.5-49.2177.9-166.8-171.5-165.700110.9K250 E260 F262 F266 Q268K250-E264 VanDerWaalsContact CE-OE2 3.31Å; K250-E264 WeakPolarHBondContact CE-OE2 3.31Å; K250-E264 IonicContact NZ-OE1 2.83Å; K250-E264 PolarHBondContact NZ-OE1 3.03Å; K250-E264 IonicContact NZ-OE2 2.93Å; K250-E264 PolarHBondContact NZ-OE2 3.3Å; E260-E264 VanDerWaalsContact O-CB 3.3Å; E260-E264 WeakPolarHBondContact O-CB 3.37Å; E260-E264 PolarHBondContact O-N 3.04Å; F262-E264 VanDerWaalsContact C-N 3.32Å; F262-E264 PolarHBondContact O-N 3.38Å; E264-F266 PolarHBondContact O-N 3.31Å; E264-Q268 HydrophobicContact CG-CG 4.24Å; E264-Q268 WeakPolarHBondContact O-CB 3.13Å; E264-Q268 WeakPolarHBondContact O-CG 3.21Å; E264-Q268 PolarHBondContact O-N 3.31Å; E264-Q268 PolarHBondContact OE1-OE1 2.71Å
265W94.7Very high91Very high4 Ų451.5 Ų51.52%0.01524%0.239CC..Hα-helixtrans-60.3-43.2175.3170.679000112.6L213 C215 L224 I227 L261 F262 S263 N269 F270 L293L213-W265 HydrophobicContact CD2-CD2 3.78Å; L213-W265 HydrophobicContact CD2-CE3 3.84Å; L213-W265 HydrophobicContact CD2-CG 4.48Å; L213-W265 HydrophobicContact CD2-CH2 3.94Å; L213-W265 HydrophobicContact CD2-CZ2 3.87Å; L213-W265 HydrophobicContact CD2-CZ3 3.92Å; C215-W265 HydrophobicContact CB-CH2 4.18Å; C215-W265 HydrophobicContact CB-CZ2 3.93Å; L224-W265 HydrophobicContact CD2-CZ2 4.3Å; I227-W265 HydrophobicContact CD1-CB 3.99Å; I227-W265 HydrophobicContact CD1-CG 4.24Å; I227-W265 HydrophobicContact CG2-CG 4.15Å; L261-W265 WeakPolarHBondContact O-CB 3.34Å; L261-W265 PolarHBondContact O-N 2.89Å; F262-W265 HydrophobicContact CD1-CE3 4.44Å; F262-W265 HydrophobicContact CE1-CE3 4.01Å; F262-W265 AromaticContact CE1-CZ3 3.91Å; F262-W265 HydrophobicContact CE1-CZ3 3.91Å; F262-W265 HydrophobicContact CE2-CE3 4.25Å; F262-W265 HydrophobicContact CE2-CZ3 4.21Å; F262-W265 AromaticContact CZ-CE3 3.9Å; F262-W265 HydrophobicContact CZ-CE3 3.9Å; F262-W265 AromaticContact CZ-CZ3 3.58Å; F262-W265 HydrophobicContact CZ-CZ3 3.58Å; F262-W265 PolarHBondContact O-N 3Å; S263-W265 PolarHBondContact O-N 3.39Å; W265-N269 CarbonylContact O-C 3.59Å; W265-N269 WeakPolarHBondContact O-CA 3.36Å; W265-N269 VanDerWaalsContact O-CB 3.3Å; W265-N269 WeakPolarHBondContact O-CB 3.42Å; W265-N269 PolarHBondContact O-N 3.27Å; W265-F270 HydrophobicContact CH2-CB 4.04Å; W265-F270 AromaticContact CH2-CD2 3.85Å; W265-F270 HydrophobicContact CH2-CD2 3.85Å; W265-F270 HydrophobicContact CH2-CG 4.17Å; W265-F270 HydrophobicContact CZ2-CB 4.11Å; W265-F270 HydrophobicContact CZ2-CD2 4.16Å; W265-F270 HydrophobicContact CZ3-CB 4.25Å; W265-F270 PolarHBondContact O-N 2.97Å; W265-L293 HydrophobicContact CH2-CD2 3.89Å; W265-L293 HydrophobicContact CZ3-CD2 3.85Å
266F96.3Very high92.2Very high0 Ų056 Ų560%026%0.259CS..Iπ-helixtrans-60.7-52.1-179.8179.6-97.9000111.5F262 S263 E264 F270 V271 L293 L307 I314 C316F262-F266 WeakPolarHBondContact O-CB 3.44Å; F262-F266 PolarHBondContact O-N 3.03Å; S263-F266 PolarHBondContact O-N 3Å; E264-F266 PolarHBondContact O-N 3.31Å; F266-F270 HydrophobicContact CD2-CB 4.35Å; F266-F270 AromaticContact CD2-CD1 3.7Å; F266-F270 HydrophobicContact CD2-CD1 3.7Å; F266-F270 HydrophobicContact CD2-CE1 4.41Å; F266-F270 HydrophobicContact CD2-CG 4.27Å; F266-F270 AromaticContact CE2-CD1 3.55Å; F266-F270 HydrophobicContact CE2-CD1 3.55Å; F266-F270 AromaticContact CE2-CE1 3.89Å; F266-F270 HydrophobicContact CE2-CE1 3.89Å; F266-F270 HydrophobicContact CZ-CD1 4.43Å; F266-F270 WeakPolarHBondContact O-CB 3.46Å; F266-F270 PolarHBondContact O-N 3.47Å; F266-V271 HydrophobicContact CD1-CG2 4.1Å; F266-V271 HydrophobicContact CE1-CG2 3.71Å; F266-V271 HydrophobicContact CE2-CG2 4.42Å; F266-V271 HydrophobicContact CZ-CG2 3.89Å; F266-V271 WeakPolarHBondContact O-CG2 3.48Å; F266-V271 PolarHBondContact O-N 3.44Å; F266-L293 HydrophobicContact CD2-CD2 4.14Å; F266-L293 HydrophobicContact CE2-CD2 4.3Å; F266-L307 HydrophobicContact CB-CD2 3.85Å; F266-L307 HydrophobicContact CD1-CB 4.39Å; F266-L307 HydrophobicContact CD1-CD2 3.96Å; F266-L307 HydrophobicContact CD2-CD2 4.38Å; F266-L307 VanDerWaalsContact CE1-C 3.46Å; F266-L307 HydrophobicContact CE1-CB 4.28Å; F266-L307 HydrophobicContact CE2-CB 4.41Å; F266-L307 HydrophobicContact CG-CD2 3.8Å; F266-L307 VanDerWaalsContact CZ-C 3.5Å; F266-L307 HydrophobicContact CZ-CB 4.29Å; F266-L307 WeakPolarHBondContact CZ-O 3.35Å; F266-I314 HydrophobicContact CZ-CG2 4.31Å; F266-C316 VanDerWaalsContact CE2-SG 3.51Å
267F96.8Very high93.3Very high89 Ų8949.8 Ų49.839%0.3924%0.237SC..Iπ-helixtrans-78.6-36.6-175.7-71.5-68.4000114S263 P272 S306 T308S263-F267 VanDerWaalsContact O-CD2 3.26Å; S263-F267 WeakPolarHBondContact O-CD2 3.43Å; S263-F267 PolarHBondContact O-N 3.37Å; F267-P272 VanDerWaalsContact O-CD 3.29Å; F267-P272 WeakPolarHBondContact O-CD 3.34Å; F267-S306 WeakPolarHBondContact CE2-O 3.4Å; F267-S306 VanDerWaalsContact CZ-O 3.26Å; F267-S306 WeakPolarHBondContact CZ-O 3.31Å; F267-T308 WeakPolarHBondContact CE1-O 3.4Å
268Q95.6Very high94.2Very high115 Ų11549 Ų4954%0.53723%0.233SC..Iπ-helixtrans-93.1-16.7-175.5-58.1-176.77.400113.9E264 P272E264-Q268 HydrophobicContact CG-CG 4.24Å; E264-Q268 WeakPolarHBondContact O-CB 3.13Å; E264-Q268 WeakPolarHBondContact O-CG 3.21Å; E264-Q268 PolarHBondContact O-N 3.31Å; E264-Q268 PolarHBondContact OE1-OE1 2.71Å; Q268-P272 VanDerWaalsContact O-CG 3.31Å; Q268-P272 WeakPolarHBondContact O-CG 3.33Å
269N95.1Very high94.8Very high43 Ų4349.6 Ų49.623%0.2323%0.234CC..Iπ-helixtrans-126.2-56.2-177.6-51.6126.6000112.4I248 W265 E273I248-N269 HydrophobicContact CD1-CB 3.89Å; W265-N269 CarbonylContact O-C 3.59Å; W265-N269 WeakPolarHBondContact O-CA 3.36Å; W265-N269 VanDerWaalsContact O-CB 3.3Å; W265-N269 WeakPolarHBondContact O-CB 3.42Å; W265-N269 PolarHBondContact O-N 3.27Å; N269-E273 WeakPolarHBondContact O-CB 3.42Å; N269-E273 PolarHBondContact O-N 3.48Å; N269-E273 VanDerWaalsContact O-N 3.12Å
270F97.6Very high95.4Very high0 Ų046.5 Ų46.50%023%0.227CC..Iπ-helixtrans-63.5-56.7-175.8178.7-95.7000112.6Y175 L224 W265 F266 E273 V274 L293 I314Y175-F270 AromaticContact CD1-CE2 3.88Å; Y175-F270 HydrophobicContact CD1-CE2 3.88Å; Y175-F270 HydrophobicContact CD1-CZ 4.44Å; Y175-F270 HydrophobicContact CD2-CE2 4.4Å; Y175-F270 HydrophobicContact CD2-CZ 4.15Å; Y175-F270 AromaticContact CG-CE2 3.78Å; Y175-F270 HydrophobicContact CG-CE2 3.78Å; Y175-F270 AromaticContact CG-CZ 3.93Å; Y175-F270 HydrophobicContact CG-CZ 3.93Å; L224-F270 HydrophobicContact CD1-CD2 4.43Å; L224-F270 HydrophobicContact CD1-CE2 4.47Å; L224-F270 HydrophobicContact CD2-CB 4.17Å; L224-F270 HydrophobicContact CD2-CD2 3.52Å; L224-F270 HydrophobicContact CD2-CE2 4.32Å; L224-F270 HydrophobicContact CD2-CG 4.25Å; W265-F270 HydrophobicContact CH2-CB 4.04Å; W265-F270 AromaticContact CH2-CD2 3.85Å; W265-F270 HydrophobicContact CH2-CD2 3.85Å; W265-F270 HydrophobicContact CH2-CG 4.17Å; W265-F270 HydrophobicContact CZ2-CB 4.11Å; W265-F270 HydrophobicContact CZ2-CD2 4.16Å; W265-F270 HydrophobicContact CZ3-CB 4.25Å; W265-F270 PolarHBondContact O-N 2.97Å; F266-F270 HydrophobicContact CD2-CB 4.35Å; F266-F270 AromaticContact CD2-CD1 3.7Å; F266-F270 HydrophobicContact CD2-CD1 3.7Å; F266-F270 HydrophobicContact CD2-CE1 4.41Å; F266-F270 HydrophobicContact CD2-CG 4.27Å; F266-F270 AromaticContact CE2-CD1 3.55Å; F266-F270 HydrophobicContact CE2-CD1 3.55Å; F266-F270 AromaticContact CE2-CE1 3.89Å; F266-F270 HydrophobicContact CE2-CE1 3.89Å; F266-F270 HydrophobicContact CZ-CD1 4.43Å; F266-F270 WeakPolarHBondContact O-CB 3.46Å; F266-F270 PolarHBondContact O-N 3.47Å; F270-E273 PolarHBondContact O-N 3.26Å; F270-V274 HydrophobicContact CD2-CG2 4.05Å; F270-V274 HydrophobicContact CE1-CG2 4.28Å; F270-V274 HydrophobicContact CE2-CG2 3.74Å; F270-V274 HydrophobicContact CG-CG2 4.39Å; F270-V274 HydrophobicContact CZ-CG2 3.86Å; F270-V274 VanDerWaalsContact O-CB 3.31Å; F270-V274 WeakPolarHBondContact O-CB 2.99Å; F270-V274 WeakPolarHBondContact O-CG2 3.18Å; F270-V274 PolarHBondContact O-N 3.4Å; F270-L293 HydrophobicContact CD1-CD2 4.18Å; F270-L293 HydrophobicContact CD2-CD2 4.05Å; F270-L293 HydrophobicContact CE1-CB 3.96Å; F270-L293 HydrophobicContact CE1-CD2 4.04Å; F270-L293 HydrophobicContact CE2-CB 4.3Å; F270-L293 HydrophobicContact CE2-CD1 3.94Å; F270-L293 HydrophobicContact CE2-CD2 3.95Å; F270-L293 HydrophobicContact CE2-CG 4.28Å; F270-L293 HydrophobicContact CG-CD2 4.2Å; F270-L293 HydrophobicContact CZ-CB 3.67Å; F270-L293 HydrophobicContact CZ-CD1 4.17Å; F270-L293 HydrophobicContact CZ-CD2 3.96Å; F270-L293 HydrophobicContact CZ-CG 4.13Å; F270-I314 HydrophobicContact CD1-CG2 4.04Å; F270-I314 HydrophobicContact CE1-CG2 3.55Å
271V98.1Very high95.9Very high10 Ų1044.4 Ų44.46%0.06122%0.223CC..Hα-helixtrans-55.7-53.8-179.6170.40000113F266 R275 I314F266-V271 HydrophobicContact CD1-CG2 4.1Å; F266-V271 HydrophobicContact CE1-CG2 3.71Å; F266-V271 HydrophobicContact CE2-CG2 4.42Å; F266-V271 HydrophobicContact CZ-CG2 3.89Å; F266-V271 WeakPolarHBondContact O-CG2 3.48Å; F266-V271 PolarHBondContact O-N 3.44Å; V271-R275 WeakPolarHBondContact O-CG 3.43Å; V271-R275 PolarHBondContact O-N 3.2Å; V271-R275 VanDerWaalsContact O-N 3.07Å; V271-I314 HydrophobicContact CG1-CD1 4.31Å; V271-I314 HydrophobicContact CG2-CB 4.48Å; V271-I314 HydrophobicContact CG2-CG2 3.92Å
272P97.3Very high96.3Very high58 Ų5845.5 Ų45.538%0.37723%0.229SC..Hα-helixtrans-67.6-38.4-178.324.1-33.2000113.3F267 Q268 R275 H276F267-P272 VanDerWaalsContact O-CD 3.29Å; F267-P272 WeakPolarHBondContact O-CD 3.34Å; Q268-P272 VanDerWaalsContact O-CG 3.31Å; Q268-P272 WeakPolarHBondContact O-CG 3.33Å; P272-R275 PolarHBondContact O-N 2.66Å; P272-H276 WeakPolarHBondContact O-CB 3.29Å; P272-H276 PolarHBondContact O-N 2.97Å
273E97.4Very high96.6Very high91 Ų9154 Ų5443%0.42526%0.261SS..Hα-helixtrans-67.7-41.7179.8-167.868.6-175.600111.4N269 F270 R275 H276 F277N269-E273 WeakPolarHBondContact O-CB 3.42Å; N269-E273 PolarHBondContact O-N 3.48Å; N269-E273 VanDerWaalsContact O-N 3.12Å; F270-E273 PolarHBondContact O-N 3.26Å; E273-R275 PolarHBondContact O-N 3.4Å; E273-H276 PolarHBondContact O-N 3.34Å; E273-F277 WeakPolarHBondContact O-CB 3.38Å; E273-F277 PolarHBondContact O-N 3.28Å
274V97.9Very high96.8Very high0 Ų055.3 Ų55.30%026%0.263CS..Hα-helixtrans-65.9-38.6176.6171.70000111.6Y175 F270 Q278 A291 I314Y175-V274 HydrophobicContact CD1-CG2 4.44Å; Y175-V274 HydrophobicContact CE1-CG2 3.92Å; Y175-V274 HydrophobicContact CE2-CG1 3.96Å; Y175-V274 HydrophobicContact CE2-CG2 4.1Å; F270-V274 HydrophobicContact CD2-CG2 4.05Å; F270-V274 HydrophobicContact CE1-CG2 4.28Å; F270-V274 HydrophobicContact CE2-CG2 3.74Å; F270-V274 HydrophobicContact CG-CG2 4.39Å; F270-V274 HydrophobicContact CZ-CG2 3.86Å; F270-V274 VanDerWaalsContact O-CB 3.31Å; F270-V274 WeakPolarHBondContact O-CB 2.99Å; F270-V274 WeakPolarHBondContact O-CG2 3.18Å; F270-V274 PolarHBondContact O-N 3.4Å; V274-Q278 VanDerWaalsContact CG1-NE2 3.28Å; V274-Q278 WeakPolarHBondContact O-CG 3.42Å; V274-Q278 PolarHBondContact O-N 2.93Å; V274-Q278 VanDerWaalsContact O-N 3.13Å; V274-A291 HydrophobicContact CG1-CB 3.64Å; V274-I314 HydrophobicContact CG1-CD1 4.24Å
275R98Very high96.9Very high73 Ų7358.6 Ų58.628%0.27528%0.278SS..Hα-helixtrans-63-46.6170.9-74.2-179.8167.7165.8-5111.4V271 P272 E273 F277 Q278 L279 I289 D311 I314V271-R275 WeakPolarHBondContact O-CG 3.43Å; V271-R275 PolarHBondContact O-N 3.2Å; V271-R275 VanDerWaalsContact O-N 3.07Å; P272-R275 PolarHBondContact O-N 2.66Å; E273-R275 PolarHBondContact O-N 3.4Å; R275-F277 PolarHBondContact O-N 3.18Å; R275-Q278 PolarHBondContact O-N 3.07Å; R275-L279 WeakPolarHBondContact O-CB 3.26Å; R275-L279 PolarHBondContact O-N 3.06Å; R275-I289 HydrophobicContact CB-CG2 4.46Å; R275-I289 HydrophobicContact CG-CG2 3.97Å; R275-D311 IonicContact CZ-OD2 3.83Å; R275-D311 IonicContact NE-OD2 3.72Å; R275-D311 IonicContact NH2-OD1 3.99Å; R275-D311 PolarHBondContact NH2-OD1 2.99Å; R275-D311 IonicContact NH2-OD2 2.88Å; R275-D311 PolarHBondContact NH2-OD2 3.23Å; R275-I314 HydrophobicContact CG-CD1 3.62Å
276H97.6Very high96.8Very high98 Ų9864.9 Ų64.945%0.45431%0.308SS..Hα-helixtrans-59.7-46.9178.9-177.596000111.6P272 E273 N280P272-H276 WeakPolarHBondContact O-CB 3.29Å; P272-H276 PolarHBondContact O-N 2.97Å; E273-H276 PolarHBondContact O-N 3.34Å; H276-N280 PolarHBondContact CE1-ND2 3.14Å; H276-N280 VanDerWaalsContact CE1-ND2 3.28Å; H276-N280 PolarHBondContact ND1-ND2 3Å; H276-N280 VanDerWaalsContact ND1-ND2 3.11Å; H276-N280 VanDerWaalsContact O-CB 3.27Å; H276-N280 WeakPolarHBondContact O-CB 2.94Å; H276-N280 PolarHBondContact O-N 3.16Å; H276-N280 PolarHBondContact O-ND2 2.91Å
277F98.1Very high96.7Very high19 Ų1970.4 Ų70.48%0.08333%0.333CS..Iπ-helixtrans-60.3-47.9178.3-178.1-103.7000111.9H222 E273 R275 V281 L282H222-F277 HydrophobicContact CB-CD1 3.9Å; H222-F277 HydrophobicContact CB-CD2 4.08Å; H222-F277 HydrophobicContact CB-CE1 3.65Å; H222-F277 HydrophobicContact CB-CE2 3.86Å; H222-F277 HydrophobicContact CB-CG 4.11Å; H222-F277 HydrophobicContact CB-CZ 3.65Å; H222-F277 AromaticContact CD2-CD2 3.92Å; H222-F277 AromaticContact CE1-CG 3.95Å; H222-F277 AromaticContact CG-CD1 3.87Å; H222-F277 AromaticContact CG-CD2 3.79Å; H222-F277 AromaticContact CG-CG 3.69Å; H222-F277 AromaticContact ND1-CD1 3.67Å; H222-F277 AromaticContact ND1-CG 3.56Å; E273-F277 WeakPolarHBondContact O-CB 3.38Å; E273-F277 PolarHBondContact O-N 3.28Å; R275-F277 PolarHBondContact O-N 3.18Å; F277-V281 HydrophobicContact CD2-CB 3.78Å; F277-V281 HydrophobicContact CD2-CG1 4.15Å; F277-V281 HydrophobicContact CD2-CG2 3.78Å; F277-V281 HydrophobicContact CE2-CB 3.89Å; F277-V281 HydrophobicContact CE2-CG1 3.74Å; F277-V281 HydrophobicContact CE2-CG2 4.22Å; F277-V281 HydrophobicContact CG-CB 4.44Å; F277-V281 HydrophobicContact CZ-CG1 4.4Å; F277-V281 WeakPolarHBondContact O-CA 3.32Å; F277-V281 VanDerWaalsContact O-CB 3.27Å; F277-V281 WeakPolarHBondContact O-CB 3.49Å; F277-V281 PolarHBondContact O-N 2.82Å; F277-L282 HydrophobicContact CD1-CD1 4.06Å; F277-L282 HydrophobicContact CD1-CG 4.06Å; F277-L282 HydrophobicContact CE1-CD1 3.65Å; F277-L282 HydrophobicContact CE1-CD2 3.81Å; F277-L282 HydrophobicContact CE1-CG 3.65Å; F277-L282 HydrophobicContact CZ-CD2 3.83Å; F277-L282 HydrophobicContact CZ-CG 4.11Å; F277-L282 PolarHBondContact O-N 2.77Å
278Q97.9Very high96.6Very high0 Ų069.5 Ų69.50%033%0.333CS..Iπ-helixtrans-66-42.6-179.5-70.7-176.452.600112.8V274 R275 L282 R283 F284 I289 R290V274-Q278 VanDerWaalsContact CG1-NE2 3.28Å; V274-Q278 WeakPolarHBondContact O-CG 3.42Å; V274-Q278 PolarHBondContact O-N 2.93Å; V274-Q278 VanDerWaalsContact O-N 3.13Å; R275-Q278 PolarHBondContact O-N 3.07Å; Q278-L282 HydrophobicContact CG-CD1 4.29Å; Q278-L282 CarbonylContact O-C 3.54Å; Q278-R283 PolarHBondContact O-N 3.47Å; Q278-R283 VanDerWaalsContact O-N 3.07Å; Q278-F284 HydrophobicContact CB-CB 4.48Å; Q278-F284 HydrophobicContact CB-CD2 3.85Å; Q278-F284 HydrophobicContact CB-CE2 4.48Å; Q278-F284 HydrophobicContact CB-CG 4.42Å; Q278-F284 HydrophobicContact CG-CD2 3.96Å; Q278-F284 HydrophobicContact CG-CE2 4.13Å; Q278-F284 PolarHBondContact O-N 2.68Å; Q278-I289 HydrophobicContact CB-CG2 4.23Å; Q278-R290 PolarHBondContact NE2-O 2.96Å; Q278-R290 PolarHBondContact OE1-O 2.81Å
279L97.1Very high96.7Very high61 Ų6164.3 Ų64.332%0.31931%0.309SS..Iπ-helixtrans-71.7-48.9178-79169000113.4R275 R283 I289R275-L279 WeakPolarHBondContact O-CB 3.26Å; R275-L279 PolarHBondContact O-N 3.06Å; L279-R283 WeakPolarHBondContact O-CA 3.45Å; L279-I289 HydrophobicContact CD1-CD1 3.64Å; L279-I289 HydrophobicContact CD2-CD1 3.76Å; L279-I289 HydrophobicContact CD2-CG1 4.29Å; L279-I289 HydrophobicContact CG-CD1 3.49Å; L279-I289 VanDerWaalsContact CG-CD1 3.49Å; L279-I289 HydrophobicContact CG-CG1 4.14Å
280N97.2Very high96.8Very high68 Ų6864.7 Ų64.736%0.36431%0.307SS..Iπ-helixtrans-98.4-26-165.2-61.4-54.8000113.7H276 R283H276-N280 PolarHBondContact CE1-ND2 3.14Å; H276-N280 VanDerWaalsContact CE1-ND2 3.28Å; H276-N280 PolarHBondContact ND1-ND2 3Å; H276-N280 VanDerWaalsContact ND1-ND2 3.11Å; H276-N280 VanDerWaalsContact O-CB 3.27Å; H276-N280 WeakPolarHBondContact O-CB 2.94Å; H276-N280 PolarHBondContact O-N 3.16Å; H276-N280 PolarHBondContact O-ND2 2.91Å; N280-R283 PolarHBondContact O-NE 3.11Å; N280-R283 VanDerWaalsContact O-NE 3.16Å; N280-R283 PolarHBondContact O-NH1 2.88Å; N280-R283 PolarHBondContact O-NH2 3.27Å; N280-R283 VanDerWaalsContact O-NH2 3.13Å
281V96.4Very high96.8Very high88 Ų8864.7 Ų64.753%0.53331%0.307SS..Iπ-helixtrans-100-53.4177.6-171.40000110.5F277F277-V281 HydrophobicContact CD2-CB 3.78Å; F277-V281 HydrophobicContact CD2-CG1 4.15Å; F277-V281 HydrophobicContact CD2-CG2 3.78Å; F277-V281 HydrophobicContact CE2-CB 3.89Å; F277-V281 HydrophobicContact CE2-CG1 3.74Å; F277-V281 HydrophobicContact CE2-CG2 4.22Å; F277-V281 HydrophobicContact CG-CB 4.44Å; F277-V281 HydrophobicContact CZ-CG1 4.4Å; F277-V281 WeakPolarHBondContact O-CA 3.32Å; F277-V281 VanDerWaalsContact O-CB 3.27Å; F277-V281 WeakPolarHBondContact O-CB 3.49Å; F277-V281 PolarHBondContact O-N 2.82Å
282L96.4Very high96.8Very high52 Ų5264.4 Ų64.427%0.27231%0.305SS..SBendtrans-82.3-13.3-178.9-54.9-174.5000114.5A172 F277 Q278 F284A172-L282 HydrophobicContact CB-CD1 3.64Å; F277-L282 HydrophobicContact CD1-CD1 4.06Å; F277-L282 HydrophobicContact CD1-CG 4.06Å; F277-L282 HydrophobicContact CE1-CD1 3.65Å; F277-L282 HydrophobicContact CE1-CD2 3.81Å; F277-L282 HydrophobicContact CE1-CG 3.65Å; F277-L282 HydrophobicContact CZ-CD2 3.83Å; F277-L282 HydrophobicContact CZ-CG 4.11Å; F277-L282 PolarHBondContact O-N 2.77Å; Q278-L282 HydrophobicContact CG-CD1 4.29Å; Q278-L282 CarbonylContact O-C 3.54Å; L282-F284 VanDerWaalsContact C-N 3.29Å; L282-F284 HydrophobicContact CB-CD1 3.76Å; L282-F284 HydrophobicContact CB-CE1 3.63Å; L282-F284 HydrophobicContact CB-CE2 4.47Å; L282-F284 HydrophobicContact CB-CG 4.25Å; L282-F284 HydrophobicContact CB-CZ 4.01Å; L282-F284 HydrophobicContact CD1-CD2 4.47Å; L282-F284 HydrophobicContact CD1-CE1 3.98Å; L282-F284 HydrophobicContact CD1-CE2 3.75Å; L282-F284 HydrophobicContact CD1-CZ 3.47Å; L282-F284 VanDerWaalsContact CD1-CZ 3.47Å; L282-F284 HydrophobicContact CG-CE1 4.46Å; L282-F284 HydrophobicContact CG-CZ 4.4Å; L282-F284 PolarHBondContact O-N 2.81Å
283R96.9Very high96.8Very high179 Ų17961.6 Ų61.668%0.67529%0.287SS*.  trans58.136.4-179.1-53.8-58.7-178.5-179.4-3.5114Q278 L279 N280Q278-R283 PolarHBondContact O-N 3.47Å; Q278-R283 VanDerWaalsContact O-N 3.07Å; L279-R283 WeakPolarHBondContact O-CA 3.45Å; N280-R283 PolarHBondContact O-NE 3.11Å; N280-R283 VanDerWaalsContact O-NE 3.16Å; N280-R283 PolarHBondContact O-NH1 2.88Å; N280-R283 PolarHBondContact O-NH2 3.27Å; N280-R283 VanDerWaalsContact O-NH2 3.13Å
284F96.6Very high96.8Very high58 Ų5857.3 Ų57.325%0.25427%0.267SS..  trans-69.3151.6171.4-67.1-2.9000110.9Q173 Q278 L282 D288Q173-F284 HydrophobicContact CG-CE2 4.06Å; Q278-F284 HydrophobicContact CB-CB 4.48Å; Q278-F284 HydrophobicContact CB-CD2 3.85Å; Q278-F284 HydrophobicContact CB-CE2 4.48Å; Q278-F284 HydrophobicContact CB-CG 4.42Å; Q278-F284 HydrophobicContact CG-CD2 3.96Å; Q278-F284 HydrophobicContact CG-CE2 4.13Å; Q278-F284 PolarHBondContact O-N 2.68Å; L282-F284 VanDerWaalsContact C-N 3.29Å; L282-F284 HydrophobicContact CB-CD1 3.76Å; L282-F284 HydrophobicContact CB-CE1 3.63Å; L282-F284 HydrophobicContact CB-CE2 4.47Å; L282-F284 HydrophobicContact CB-CG 4.25Å; L282-F284 HydrophobicContact CB-CZ 4.01Å; L282-F284 HydrophobicContact CD1-CD2 4.47Å; L282-F284 HydrophobicContact CD1-CE1 3.98Å; L282-F284 HydrophobicContact CD1-CE2 3.75Å; L282-F284 HydrophobicContact CD1-CZ 3.47Å; L282-F284 VanDerWaalsContact CD1-CZ 3.47Å; L282-F284 HydrophobicContact CG-CE1 4.46Å; L282-F284 HydrophobicContact CG-CZ 4.4Å; L282-F284 PolarHBondContact O-N 2.81Å; F284-D288 HydrophobicContact CB-CB 4.37Å
285H95.9Very high96.5Very high124 Ų12457.3 Ų57.357%0.57427%0.267SS*.  trans-71.3157.5168.9-64.8-82.8000110.6E287 D288 I289H285-E287 VanDerWaalsContact C-N 3.28Å; H285-E287 VanDerWaalsContact CB-CD 3.47Å; H285-E287 HydrophobicContact CB-CG 4.18Å; H285-E287 WeakPolarHBondContact CB-OE2 3.37Å; H285-E287 PolarHBondContact O-N 2.85Å; H285-D288 PolarHBondContact O-N 3.15Å; H285-I289 PolarHBondContact O-N 3.14Å
286E93.4Very high95.8Very high136 Ų13655.6 Ų55.664%0.63626%0.263SS*.THydrogen-bonded Turntrans-66.5-32.7-171.1-168.9172.5176.600112.3D288 I289 R313E286-D288 VanDerWaalsContact C-N 3.3Å; E286-D288 PolarHBondContact O-N 3.35Å; E286-I289 HydrophobicContact CB-CD1 4.47Å; E286-I289 HydrophobicContact CG-CD1 4.04Å; E286-I289 WeakPolarHBondContact O-CG1 3.2Å; E286-R313 PolarHBondContact O-NH1 3.17Å
287E93.1Very high94.8Very high116 Ų11652.5 Ų52.554%0.54225%0.252SS..THydrogen-bonded Turntrans-65.7-26171.260.4-90.8-145.200114H285 R290H285-E287 VanDerWaalsContact C-N 3.28Å; H285-E287 VanDerWaalsContact CB-CD 3.47Å; H285-E287 HydrophobicContact CB-CG 4.18Å; H285-E287 WeakPolarHBondContact CB-OE2 3.37Å; H285-E287 PolarHBondContact O-N 2.85Å; E287-R290 PolarHBondContact O-NH2 2.91Å
288D95.3Very high93.6Very high71 Ų7153.5 Ų53.538%0.3826%0.262SS..THydrogen-bonded Turntrans-87.3-16.1-178.8-73.7-38.3000113Q173 F284 H285 E286 R290Q173-D288 PolarHBondContact NE2-O 3.46Å; Q173-D288 VanDerWaalsContact NE2-O 3.11Å; F284-D288 HydrophobicContact CB-CB 4.37Å; H285-D288 PolarHBondContact O-N 3.15Å; E286-D288 VanDerWaalsContact C-N 3.3Å; E286-D288 PolarHBondContact O-N 3.35Å; D288-R290 WeakPolarHBondContact O-CG 3.48Å; D288-R290 PolarHBondContact O-N 3.29Å; D288-R290 PolarHBondContact O-NE 3.26Å; D288-R290 IonicContact OD1-NH2 3.94Å
289I97Very high92.1Very high5 Ų558.4 Ų58.43%0.02629%0.293CS..  trans-61.9121.2178.3-46.4165.3000110.6R275 Q278 L279 H285 E286 R313 I314R275-I289 HydrophobicContact CB-CG2 4.46Å; R275-I289 HydrophobicContact CG-CG2 3.97Å; Q278-I289 HydrophobicContact CB-CG2 4.23Å; L279-I289 HydrophobicContact CD1-CD1 3.64Å; L279-I289 HydrophobicContact CD2-CD1 3.76Å; L279-I289 HydrophobicContact CD2-CG1 4.29Å; L279-I289 HydrophobicContact CG-CD1 3.49Å; L279-I289 VanDerWaalsContact CG-CD1 3.49Å; L279-I289 HydrophobicContact CG-CG1 4.14Å; H285-I289 PolarHBondContact O-N 3.14Å; E286-I289 HydrophobicContact CB-CD1 4.47Å; E286-I289 HydrophobicContact CG-CD1 4.04Å; E286-I289 WeakPolarHBondContact O-CG1 3.2Å; I289-R313 WeakPolarHBondContact O-CB 3.34Å; I289-R313 WeakPolarHBondContact O-CD 3.28Å; I289-I314 HydrophobicContact CG2-CD1 4.5Å
290R97Very high90.8Very high52 Ų5256.7 Ų56.720%0.19629%0.288CS..  trans-162.8157.1177.759.2-161.170-176.5-2.5110E167 L169 Q173 Q278 E287 D288 R313E167-R290 VanDerWaalsContact O-CD 3.27Å; E167-R290 WeakPolarHBondContact O-CD 3.36Å; E167-R290 PolarHBondContact O-NH1 3.5Å; L169-R290 HydrophobicContact CD2-CB 4.31Å; L169-R290 HydrophobicContact CD2-CG 3.51Å; Q173-R290 WeakPolarHBondContact CB-O 3.49Å; Q173-R290 VanDerWaalsContact CG-O 3.32Å; Q173-R290 WeakPolarHBondContact CG-O 3.41Å; Q278-R290 PolarHBondContact NE2-O 2.96Å; Q278-R290 PolarHBondContact OE1-O 2.81Å; E287-R290 PolarHBondContact O-NH2 2.91Å; D288-R290 WeakPolarHBondContact O-CG 3.48Å; D288-R290 PolarHBondContact O-N 3.29Å; D288-R290 PolarHBondContact O-NE 3.26Å; D288-R290 IonicContact OD1-NH2 3.94Å; R290-R313 CarbonylContact C-O 3.57Å; R290-R313 WeakPolarHBondContact CA-O 3.43Å; R290-R313 HydrophobicContact CB-CB 4.11Å; R290-R313 VanDerWaalsContact CB-O 3.3Å; R290-R313 WeakPolarHBondContact CB-O 3.41Å
291A98.1Very high89.5Confident0 Ų053.9 Ų53.90%027%0.273CS..EExtended strand (participates in β ladder)trans-157.5149.5172.500000112.8Q173 Y175 V274 R313 I314 K315Q173-A291 CarbonylContact O-C 3.32Å; Q173-A291 WeakPolarHBondContact O-CA 3.49Å; Q173-A291 WeakPolarHBondContact O-CB 3.5Å; Y175-A291 HydrophobicContact CD2-CB 4.05Å; Y175-A291 HydrophobicContact CE2-CB 4.12Å; V274-A291 HydrophobicContact CG1-CB 3.64Å; A291-R313 PolarHBondContact N-O 3.49Å; A291-I314 HydrophobicContact CB-CG1 4.18Å; A291-I314 HydrophobicContact CB-CG2 4.24Å; A291-I314 WeakPolarHBondContact O-CA 3.46Å; A291-K315 PolarHBondContact O-N 3Å
292L98.4Very high88.7Confident3 Ų350.2 Ų50.22%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-117.6113.5174-17467.4000109.5L160 I163 L169 Q173 L174 Y175 L294 K315 M317L160-L292 HydrophobicContact CD1-CD2 3.53Å; I163-L292 HydrophobicContact CG2-CD2 3.95Å; L169-L292 HydrophobicContact CD1-CB 3.89Å; L169-L292 HydrophobicContact CD1-CD2 4.24Å; Q173-L292 PolarHBondContact O-N 2.84Å; L174-L292 HydrophobicContact CD2-CB 3.99Å; L174-L292 HydrophobicContact CD2-CD2 4.21Å; Y175-L292 PolarHBondContact N-O 3.34Å; L292-L294 HydrophobicContact CD2-CD2 4.06Å; L292-L294 HydrophobicContact CG-CD2 4.01Å; L292-K315 WeakPolarHBondContact CA-O 3.1Å; L292-K315 HydrophobicContact CD1-CG 4Å; L292-M317 HydrophobicContact CD1-CB 3.83Å; L292-M317 HydrophobicContact CG-CB 4.43Å
293L97.9Very high87.9Confident0 Ų050.6 Ų50.60%026%0.258CS..EExtended strand (participates in β ladder)trans-94122.2176.4178.857.1000110.7Y175 W265 F266 F270 L295 K315 C316 M317Y175-L293 CarbonylContact O-C 3.53Å; W265-L293 HydrophobicContact CH2-CD2 3.89Å; W265-L293 HydrophobicContact CZ3-CD2 3.85Å; F266-L293 HydrophobicContact CD2-CD2 4.14Å; F266-L293 HydrophobicContact CE2-CD2 4.3Å; F270-L293 HydrophobicContact CD1-CD2 4.18Å; F270-L293 HydrophobicContact CD2-CD2 4.05Å; F270-L293 HydrophobicContact CE1-CB 3.96Å; F270-L293 HydrophobicContact CE1-CD2 4.04Å; F270-L293 HydrophobicContact CE2-CB 4.3Å; F270-L293 HydrophobicContact CE2-CD1 3.94Å; F270-L293 HydrophobicContact CE2-CD2 3.95Å; F270-L293 HydrophobicContact CE2-CG 4.28Å; F270-L293 HydrophobicContact CG-CD2 4.2Å; F270-L293 HydrophobicContact CZ-CB 3.67Å; F270-L293 HydrophobicContact CZ-CD1 4.17Å; F270-L293 HydrophobicContact CZ-CD2 3.96Å; F270-L293 HydrophobicContact CZ-CG 4.13Å; L293-L295 HydrophobicContact CD1-CD2 4.23Å; L293-L295 HydrophobicContact CD2-CD1 4.17Å; L293-L295 HydrophobicContact CD2-CD2 4.23Å; L293-L295 HydrophobicContact CD2-CG 4.31Å; L293-L295 HydrophobicContact CG-CD1 4.28Å; L293-L295 HydrophobicContact CG-CD2 4.07Å; L293-L295 HydrophobicContact CG-CG 3.98Å; L293-K315 PolarHBondContact N-O 2.94Å; L293-C316 CarbonylContact O-C 3.59Å; L293-C316 VanDerWaalsContact O-CA 3.3Å; L293-C316 WeakPolarHBondContact O-CA 3.36Å; L293-M317 PolarHBondContact O-N 3.38Å
294L96.3Very high87.1Confident0 Ų043.8 Ų43.80%024%0.238CC..EExtended strand (participates in β ladder)trans-99.6121.4178.8-54.7-175.1000111.1F156 L160 Y175 S176 G177 L292 M317 F319 W399 L402F156-L294 HydrophobicContact CZ-CD2 4.5Å; L160-L294 HydrophobicContact CD1-CD1 4.3Å; L160-L294 HydrophobicContact CD1-CD2 4.21Å; L160-L294 HydrophobicContact CD2-CD1 4.03Å; Y175-L294 PolarHBondContact O-N 2.95Å; S176-L294 WeakPolarHBondContact CA-O 3.3Å; S176-L294 PolarHBondContact OG-O 2.88Å; G177-L294 PolarHBondContact N-O 3.39Å; G177-L294 VanDerWaalsContact N-O 3.08Å; L292-L294 HydrophobicContact CD2-CD2 4.06Å; L292-L294 HydrophobicContact CG-CD2 4.01Å; L294-M317 WeakPolarHBondContact CA-O 3.42Å; L294-M317 HydrophobicContact CD2-CB 3.91Å; L294-M317 HydrophobicContact CD2-CG 4.15Å; L294-F319 HydrophobicContact CB-CE2 3.58Å; L294-F319 HydrophobicContact CB-CZ 3.65Å; L294-F319 HydrophobicContact CD1-CE1 4.46Å; L294-F319 HydrophobicContact CD1-CZ 3.93Å; L294-F319 HydrophobicContact CG-CZ 4.42Å; L294-W399 HydrophobicContact CD1-CH2 3.99Å; L294-W399 HydrophobicContact CD1-CZ3 3.73Å; L294-W399 HydrophobicContact CG-CH2 4.47Å; L294-L402 HydrophobicContact CD1-CD2 3.58Å
295L91.4Very high86.4Confident0 Ų047.7 Ų47.70%026%0.256CS..EExtended strand (participates in β ladder)trans-130.7155.5-174.5-62.2170.6000110.8F262 L293 L307 C316 M317 F318 F319F262-L295 HydrophobicContact CE1-CD1 3.64Å; F262-L295 HydrophobicContact CE2-CD1 4.49Å; F262-L295 HydrophobicContact CE2-CD2 4.42Å; F262-L295 HydrophobicContact CZ-CD1 3.41Å; F262-L295 VanDerWaalsContact CZ-CD1 3.41Å; F262-L295 HydrophobicContact CZ-CD2 3.78Å; F262-L295 HydrophobicContact CZ-CG 4.23Å; L293-L295 HydrophobicContact CD1-CD2 4.23Å; L293-L295 HydrophobicContact CD2-CD1 4.17Å; L293-L295 HydrophobicContact CD2-CD2 4.23Å; L293-L295 HydrophobicContact CD2-CG 4.31Å; L293-L295 HydrophobicContact CG-CD1 4.28Å; L293-L295 HydrophobicContact CG-CD2 4.07Å; L293-L295 HydrophobicContact CG-CG 3.98Å; L295-L307 HydrophobicContact CD1-CD1 4.24Å; L295-C316 HydrophobicContact CD1-CB 4.41Å; L295-M317 PolarHBondContact N-O 3.14Å; L295-F318 HydrophobicContact CB-CD1 3.72Å; L295-F318 HydrophobicContact CB-CE1 3.7Å; L295-F318 HydrophobicContact CD1-CE1 3.9Å; L295-F318 HydrophobicContact CG-CE1 4.45Å; L295-F318 CarbonylContact O-C 3.6Å; L295-F318 VanDerWaalsContact O-CA 3.3Å; L295-F318 WeakPolarHBondContact O-CA 3.45Å; L295-F319 WeakPolarHBondContact O-CD2 3.44Å; L295-F319 PolarHBondContact O-N 2.99Å
296D84.5Confident85.9Confident37 Ų3744.1 Ų44.120%0.19825%0.245CC..  trans-70.3166.4172.394.2-31.6000112.1C298 H301 F318 S324D296-C298 PolarHBondContact O-N 2.69Å; D296-C298 WeakPolarHBondContact OD1-CB 3.28Å; D296-C298 PolarHBondContact OD1-N 3.48Å; D296-H301 PolarHBondContact O-ND1 2.93Å; D296-H301 IonicContact OD1-CE1 3.94Å; D296-H301 PolarHBondContact OD1-CE1 3.18Å; D296-H301 IonicContact OD1-ND1 2.74Å; D296-H301 PolarHBondContact OD1-ND1 3.45Å; D296-F318 WeakPolarHBondContact O-CD1 3.31Å; D296-S324 WeakPolarHBondContact CB-OG 3.31Å
297S76.6Confident85.8Confident33 Ų3337.6 Ų37.623%0.23122%0.215CC..  trans-79.838.7174.6-71.70000113F319S297-F319 PolarHBondContact OG-O 3.12Å
298C72.4Confident85.9Confident41 Ų4134.2 Ų34.228%0.27720%0.202SC..  trans-65.1134.9177.3179.20000111.7D296 A300 H301D296-C298 PolarHBondContact O-N 2.69Å; D296-C298 WeakPolarHBondContact OD1-CB 3.28Å; D296-C298 PolarHBondContact OD1-N 3.48Å; C298-A300 PolarHBondContact O-N 2.71Å; C298-A300 VanDerWaalsContact O-N 3.08Å; C298-A300 PolarHBondContact SG-N 3Å; C298-H301 WeakPolarHBondContact O-CB 3.28Å; C298-H301 PolarHBondContact O-N 3.2Å
299P66.5Low85.9Confident103 Ų10331.1 Ų31.167%0.66919%0.186SC*.THydrogen-bonded Turntrans-60.4-19.1176.9-25.435000115.1R259R259-P299 PolarHBondContact NE-O 3.39Å; R259-P299 PolarHBondContact NH2-O 3.2Å
300A68.9Low85.7Confident25 Ų2540.4 Ų40.421%0.20723%0.23CC..THydrogen-bonded Turntrans-73.3-15.4174.500000112.9R259 C298R259-A300 VanDerWaalsContact CA-O 3.26Å; R259-A300 WeakPolarHBondContact CA-O 3.45Å; R259-A300 WeakPolarHBondContact CG-O 3.35Å; R259-A300 PolarHBondContact N-O 3.18Å; C298-A300 PolarHBondContact O-N 2.71Å; C298-A300 VanDerWaalsContact O-N 3.08Å; C298-A300 PolarHBondContact SG-N 3Å
301H70.7Confident85.5Confident9 Ų940.7 Ų40.74%0.04224%0.235CC..SBendtrans-76.5135.3173.7-61.9154.2000111.1E179 F262 D296 C298 F318E179-H301 IonicContact OE1-NE2 3.5Å; E179-H301 PolarHBondContact OE1-NE2 2.64Å; E179-H301 IonicContact OE2-CE1 3.67Å; E179-H301 IonicContact OE2-NE2 3.13Å; F262-H301 AromaticContact CD2-CD2 3.54Å; F262-H301 AromaticContact CD2-NE2 3.77Å; F262-H301 AromaticContact CE2-CD2 3.55Å; F262-H301 AromaticContact CE2-NE2 3.43Å; F262-H301 WeakPolarHBondContact CE2-NE2 3.47Å; F262-H301 AromaticContact CG-CD2 3.96Å; F262-H301 AromaticContact CZ-CD2 3.99Å; D296-H301 PolarHBondContact O-ND1 2.93Å; D296-H301 IonicContact OD1-CE1 3.94Å; D296-H301 PolarHBondContact OD1-CE1 3.18Å; D296-H301 IonicContact OD1-ND1 2.74Å; D296-H301 PolarHBondContact OD1-ND1 3.45Å; C298-H301 WeakPolarHBondContact O-CB 3.28Å; C298-H301 PolarHBondContact O-N 3.2Å; H301-F318 HydrophobicContact CB-CE1 3.67Å; H301-F318 HydrophobicContact CB-CZ 3.83Å; H301-F318 AromaticContact CG-CE1 3.97Å; H301-F318 AromaticContact ND1-CE1 3.79Å
302P79.4Confident85.3Confident11 Ų1142.4 Ų42.47%0.07125%0.252CS..PPolyproline II helixtrans-60.1170.5162.4-20.531.2000111.9R259 S263 S306 L307 F318R259-P302 HydrophobicContact CB-CG 4.16Å; R259-P302 WeakPolarHBondContact O-CG 3.38Å; S263-P302 WeakPolarHBondContact OG-CG 3.22Å; P302-S306 WeakPolarHBondContact CB-OG 3.46Å; P302-L307 HydrophobicContact CB-CD1 4.34Å; P302-L307 HydrophobicContact CB-CD2 4.15Å; P302-L307 HydrophobicContact CB-CG 4.02Å; P302-L307 HydrophobicContact CG-CD1 4.47Å; P302-L307 HydrophobicContact CG-CD2 4.02Å; P302-L307 HydrophobicContact CG-CG 4.34Å; P302-F318 WeakPolarHBondContact O-CZ 3.38Å
303S79.9Confident85.1Confident60 Ų6046.7 Ų46.742%0.4227%0.268SS..PPolyproline II helixtrans-72.8158.417886.50000111.8E305 S306 L307S303-E305 WeakPolarHBondContact CB-OE2 3.38Å; S303-E305 PolarHBondContact O-N 3.09Å; S303-E305 PolarHBondContact OG-OE2 3.24Å; S303-S306 PolarHBondContact N-OG 3.29Å; S303-S306 PolarHBondContact O-N 2.99Å; S303-S306 PolarHBondContact O-OG 3.44Å; S303-L307 PolarHBondContact O-N 3.26Å; S303-L307 VanDerWaalsContact O-N 3.12Å
304S79.3Confident85.1Confident36 Ų3646.7 Ų46.725%0.25227%0.268SS..G310 helixtrans-58.8-35.4-177.422.50000112.3S306 L307 T308S304-S306 VanDerWaalsContact C-N 3.31Å; S304-S306 PolarHBondContact O-N 3.24Å; S304-L307 CarbonylContact O-C 3.55Å; S304-L307 PolarHBondContact O-N 3.49Å; S304-T308 PolarHBondContact O-OG1 3.22Å; S304-T308 VanDerWaalsContact O-OG1 3.11Å
305E82.2Confident85.1Confident139 Ų13949.1 Ų49.165%0.6528%0.279SS*.G310 helixtrans-69.8-31.7179.4-49.967-131.200110.9S303S303-E305 WeakPolarHBondContact CB-OE2 3.38Å; S303-E305 PolarHBondContact O-N 3.09Å; S303-E305 PolarHBondContact OG-OE2 3.24Å
306S85.8Confident85.3Confident49 Ų4949.5 Ų49.534%0.34328%0.282SS..G310 helixtrans-83.1-11.8174.8680000114.2F267 P302 S303 S304F267-S306 WeakPolarHBondContact CE2-O 3.4Å; F267-S306 VanDerWaalsContact CZ-O 3.26Å; F267-S306 WeakPolarHBondContact CZ-O 3.31Å; P302-S306 WeakPolarHBondContact CB-OG 3.46Å; S303-S306 PolarHBondContact N-OG 3.29Å; S303-S306 PolarHBondContact O-N 2.99Å; S303-S306 PolarHBondContact O-OG 3.44Å; S304-S306 VanDerWaalsContact C-N 3.31Å; S304-S306 PolarHBondContact O-N 3.24Å
307L91.3Very high85.7Confident0 Ų048.5 Ų48.50%028%0.276CS..SBendtrans-110.159.1174.1-62.5176.7000110.2F262 F266 L295 P302 S303 S304 K315 C316 F318F262-L307 HydrophobicContact CD1-CD1 4.11Å; F262-L307 HydrophobicContact CD1-CD2 4.19Å; F262-L307 HydrophobicContact CE1-CD1 3.87Å; F262-L307 HydrophobicContact CE1-CD2 4.42Å; F266-L307 HydrophobicContact CB-CD2 3.85Å; F266-L307 HydrophobicContact CD1-CB 4.39Å; F266-L307 HydrophobicContact CD1-CD2 3.96Å; F266-L307 HydrophobicContact CD2-CD2 4.38Å; F266-L307 VanDerWaalsContact CE1-C 3.46Å; F266-L307 HydrophobicContact CE1-CB 4.28Å; F266-L307 HydrophobicContact CE2-CB 4.41Å; F266-L307 HydrophobicContact CG-CD2 3.8Å; F266-L307 VanDerWaalsContact CZ-C 3.5Å; F266-L307 HydrophobicContact CZ-CB 4.29Å; F266-L307 WeakPolarHBondContact CZ-O 3.35Å; L295-L307 HydrophobicContact CD1-CD1 4.24Å; P302-L307 HydrophobicContact CB-CD1 4.34Å; P302-L307 HydrophobicContact CB-CD2 4.15Å; P302-L307 HydrophobicContact CB-CG 4.02Å; P302-L307 HydrophobicContact CG-CD1 4.47Å; P302-L307 HydrophobicContact CG-CD2 4.02Å; P302-L307 HydrophobicContact CG-CG 4.34Å; S303-L307 PolarHBondContact O-N 3.26Å; S303-L307 VanDerWaalsContact O-N 3.12Å; S304-L307 CarbonylContact O-C 3.55Å; S304-L307 PolarHBondContact O-N 3.49Å; L307-K315 WeakPolarHBondContact O-CA 3.44Å; L307-C316 HydrophobicContact CB-CB 3.78Å; L307-C316 VanDerWaalsContact CB-SG 3.55Å; L307-C316 HydrophobicContact CD1-CB 4.16Å; L307-C316 PolarHBondContact O-N 2.9Å; L307-F318 HydrophobicContact CD1-CZ 4.1Å
308T95.3Very high86.4Confident44 Ų4449 Ų4927%0.2727%0.274SS..BIsolated β-bridgetrans-136.8135.5176.9-65.30000108.5F267 S304 I314 K315F267-T308 WeakPolarHBondContact CE1-O 3.4Å; S304-T308 PolarHBondContact O-OG1 3.22Å; S304-T308 VanDerWaalsContact O-OG1 3.11Å; T308-I314 CarbonylContact C-O 3.53Å; T308-I314 WeakPolarHBondContact CA-O 3.34Å; T308-K315 HydrophobicContact CG2-CB 4.16Å
309S95.2Very high87Confident7 Ų747 Ų475%0.04926%0.261CS..  trans-66.3159.1176.854.80000112.1D311 G312 R313 I314S309-D311 WeakPolarHBondContact CB-OD1 3.48Å; S309-D311 PolarHBondContact O-N 2.62Å; S309-D311 VanDerWaalsContact O-N 3.1Å; S309-D311 PolarHBondContact OG-OD1 3.26Å; S309-G312 PolarHBondContact O-N 3.25Å; S309-R313 PolarHBondContact OG-N 3.5Å; S309-I314 PolarHBondContact N-O 2.9Å; S309-I314 PolarHBondContact OG-N 2.95Å; S309-I314 PolarHBondContact OG-O 2.91Å
310E92.5Very high87.7Confident200 Ų20043.6 Ų43.694%0.93524%0.239SC*.THydrogen-bonded Turntrans-56.3-28.9-177.9-61175.6163.400114
311D92.3Very high87.9Confident58 Ų5850.9 Ų50.931%0.3126%0.262SS..THydrogen-bonded Turntrans-89.2-2.2176.862.81.7000114.1R275 S309 R313R275-D311 IonicContact CZ-OD2 3.83Å; R275-D311 IonicContact NE-OD2 3.72Å; R275-D311 IonicContact NH2-OD1 3.99Å; R275-D311 PolarHBondContact NH2-OD1 2.99Å; R275-D311 IonicContact NH2-OD2 2.88Å; R275-D311 PolarHBondContact NH2-OD2 3.23Å; S309-D311 WeakPolarHBondContact CB-OD1 3.48Å; S309-D311 PolarHBondContact O-N 2.62Å; S309-D311 VanDerWaalsContact O-N 3.1Å; S309-D311 PolarHBondContact OG-OD1 3.26Å; D311-R313 HydrophobicContact CB-CG 4.25Å; D311-R313 PolarHBondContact O-N 3.36Å; D311-R313 PolarHBondContact OD1-N 3.31Å; D311-R313 IonicContact OD2-NE 3.97Å
312G93.9Very high87.6Confident35 Ų3556.5 Ų56.536%0.36129%0.292SS..SBendtrans72.90.2-177.500000116.1S309S309-G312 PolarHBondContact O-N 3.25Å
313R95.8Very high87.1Confident93 Ų9356 Ų5635%0.35129%0.289SS..  trans-89.6-23.4-169.9-55.7-177.2-159.9155.87.8114.4E286 I289 R290 A291 S309 D311E286-R313 PolarHBondContact O-NH1 3.17Å; I289-R313 WeakPolarHBondContact O-CB 3.34Å; I289-R313 WeakPolarHBondContact O-CD 3.28Å; R290-R313 CarbonylContact C-O 3.57Å; R290-R313 WeakPolarHBondContact CA-O 3.43Å; R290-R313 HydrophobicContact CB-CB 4.11Å; R290-R313 VanDerWaalsContact CB-O 3.3Å; R290-R313 WeakPolarHBondContact CB-O 3.41Å; A291-R313 PolarHBondContact N-O 3.49Å; S309-R313 PolarHBondContact OG-N 3.5Å; D311-R313 HydrophobicContact CB-CG 4.25Å; D311-R313 PolarHBondContact O-N 3.36Å; D311-R313 PolarHBondContact OD1-N 3.31Å; D311-R313 IonicContact OD2-NE 3.97Å
314I97.5Very high86.5Confident0 Ų053.9 Ų53.90%027%0.274CS..EExtended strand (participates in β ladder)trans-114.3116.7176.7-63.3174.2000108F266 F270 V271 V274 R275 I289 A291 T308 S309F266-I314 HydrophobicContact CZ-CG2 4.31Å; F270-I314 HydrophobicContact CD1-CG2 4.04Å; F270-I314 HydrophobicContact CE1-CG2 3.55Å; V271-I314 HydrophobicContact CG1-CD1 4.31Å; V271-I314 HydrophobicContact CG2-CB 4.48Å; V271-I314 HydrophobicContact CG2-CG2 3.92Å; V274-I314 HydrophobicContact CG1-CD1 4.24Å; R275-I314 HydrophobicContact CG-CD1 3.62Å; I289-I314 HydrophobicContact CG2-CD1 4.5Å; A291-I314 HydrophobicContact CB-CG1 4.18Å; A291-I314 HydrophobicContact CB-CG2 4.24Å; A291-I314 WeakPolarHBondContact O-CA 3.46Å; T308-I314 CarbonylContact C-O 3.53Å; T308-I314 WeakPolarHBondContact CA-O 3.34Å; S309-I314 PolarHBondContact N-O 2.9Å; S309-I314 PolarHBondContact OG-N 2.95Å; S309-I314 PolarHBondContact OG-O 2.91Å
315K95.6Very high85.9Confident51 Ų5157.2 Ų57.222%0.22229%0.293CS..EExtended strand (participates in β ladder)trans-150.2162.5-168.963.8-170176.1-169.20113.9E167 A291 L292 L293 L307 T308E167-K315 WeakPolarHBondContact OE1-CE 3.28Å; E167-K315 IonicContact OE1-NZ 2.83Å; E167-K315 PolarHBondContact OE1-NZ 2.85Å; E167-K315 WeakPolarHBondContact OE2-CE 3.43Å; E167-K315 IonicContact OE2-NZ 3.86Å; E167-K315 PolarHBondContact OE2-NZ 3.1Å; A291-K315 PolarHBondContact O-N 3Å; L292-K315 WeakPolarHBondContact CA-O 3.1Å; L292-K315 HydrophobicContact CD1-CG 4Å; L293-K315 PolarHBondContact N-O 2.94Å; L307-K315 WeakPolarHBondContact O-CA 3.44Å; T308-K315 HydrophobicContact CG2-CB 4.16Å
316C94.9Very high85.3Confident9 Ų953.6 Ų53.66%0.06128%0.278CS..EExtended strand (participates in β ladder)trans-100.9150.3178.4-70.70000113.9F266 L293 L295 L307F266-C316 VanDerWaalsContact CE2-SG 3.51Å; L293-C316 CarbonylContact O-C 3.59Å; L293-C316 VanDerWaalsContact O-CA 3.3Å; L293-C316 WeakPolarHBondContact O-CA 3.36Å; L295-C316 HydrophobicContact CD1-CB 4.41Å; L307-C316 HydrophobicContact CB-CB 3.78Å; L307-C316 VanDerWaalsContact CB-SG 3.55Å; L307-C316 HydrophobicContact CD1-CB 4.16Å; L307-C316 PolarHBondContact O-N 2.9Å
317M93.4Very high85.1Confident15 Ų1551.4 Ų51.47%0.07426%0.262CS..EExtended strand (participates in β ladder)trans-138.6125.8169.7169.2162.1166.800110.2F156 K159 L160 I163 L292 L293 L294 L295F156-M317 HydrophobicContact CD2-CE 3.53Å; F156-M317 HydrophobicContact CE2-CE 3.2Å; F156-M317 HydrophobicContact CE2-CG 3.94Å; F156-M317 HydrophobicContact CE2-SD 4.37Å; F156-M317 HydrophobicContact CG-CE 4.41Å; F156-M317 HydrophobicContact CZ-CE 3.83Å; F156-M317 HydrophobicContact CZ-CG 4.4Å; K159-M317 HydrophobicContact CB-CE 4.22Å; K159-M317 HydrophobicContact CD-CE 3.92Å; K159-M317 HydrophobicContact CG-CE 3.96Å; L160-M317 HydrophobicContact CB-CE 4.19Å; I163-M317 HydrophobicContact CD1-CE 4.33Å; I163-M317 HydrophobicContact CD1-SD 3.51Å; I163-M317 VanDerWaalsContact CD1-SD 3.51Å; L292-M317 HydrophobicContact CD1-CB 3.83Å; L292-M317 HydrophobicContact CG-CB 4.43Å; L293-M317 PolarHBondContact O-N 3.38Å; L294-M317 WeakPolarHBondContact CA-O 3.42Å; L294-M317 HydrophobicContact CD2-CB 3.91Å; L294-M317 HydrophobicContact CD2-CG 4.15Å; L295-M317 PolarHBondContact N-O 3.14Å
318F90.8Very high84.8Confident44 Ų4451.4 Ų51.419%0.19326%0.262CS..EExtended strand (participates in β ladder)trans-86.7136.1-176.6-64.5-63.4000113.1F156 L295 D296 H301 P302 L307F156-F318 VanDerWaalsContact CE2-O 3.27Å; F156-F318 WeakPolarHBondContact CE2-O 3.23Å; L295-F318 HydrophobicContact CB-CD1 3.72Å; L295-F318 HydrophobicContact CB-CE1 3.7Å; L295-F318 HydrophobicContact CD1-CE1 3.9Å; L295-F318 HydrophobicContact CG-CE1 4.45Å; L295-F318 CarbonylContact O-C 3.6Å; L295-F318 VanDerWaalsContact O-CA 3.3Å; L295-F318 WeakPolarHBondContact O-CA 3.45Å; D296-F318 WeakPolarHBondContact O-CD1 3.31Å; H301-F318 HydrophobicContact CB-CE1 3.67Å; H301-F318 HydrophobicContact CB-CZ 3.83Å; H301-F318 AromaticContact CG-CE1 3.97Å; H301-F318 AromaticContact ND1-CE1 3.79Å; P302-F318 WeakPolarHBondContact O-CZ 3.38Å; L307-F318 HydrophobicContact CD1-CZ 4.1Å
319F85.8Confident84.6Confident0 Ų049.3 Ų49.30%025%0.25CC..PPolyproline II helixtrans-61.4139.5166.2-70.5-75.3000110.2F156 L294 L295 S297 I327 Q328 L402F156-F319 HydrophobicContact CD1-CD1 4.2Å; F156-F319 HydrophobicContact CD1-CE1 4.47Å; F156-F319 AromaticContact CE1-CD1 3.39Å; F156-F319 HydrophobicContact CE1-CD1 3.39Å; F156-F319 AromaticContact CE1-CE1 3.47Å; F156-F319 HydrophobicContact CE1-CE1 3.47Å; F156-F319 VanDerWaalsContact CE1-CE1 3.47Å; F156-F319 HydrophobicContact CE1-CG 4.45Å; F156-F319 HydrophobicContact CE2-CD1 4.43Å; F156-F319 AromaticContact CZ-CD1 3.53Å; F156-F319 HydrophobicContact CZ-CD1 3.53Å; F156-F319 AromaticContact CZ-CE1 3.79Å; F156-F319 HydrophobicContact CZ-CE1 3.79Å; F156-F319 HydrophobicContact CZ-CG 4.19Å; L294-F319 HydrophobicContact CB-CE2 3.58Å; L294-F319 HydrophobicContact CB-CZ 3.65Å; L294-F319 HydrophobicContact CD1-CE1 4.46Å; L294-F319 HydrophobicContact CD1-CZ 3.93Å; L294-F319 HydrophobicContact CG-CZ 4.42Å; L295-F319 WeakPolarHBondContact O-CD2 3.44Å; L295-F319 PolarHBondContact O-N 2.99Å; S297-F319 PolarHBondContact OG-O 3.12Å; F319-I327 HydrophobicContact CD1-CD1 3.73Å; F319-I327 HydrophobicContact CD1-CG1 3.92Å; F319-I327 HydrophobicContact CE1-CD1 4.05Å; F319-I327 HydrophobicContact CE1-CG1 4.11Å; F319-Q328 HydrophobicContact CD2-CB 4.06Å; F319-Q328 HydrophobicContact CD2-CG 4.04Å; F319-Q328 HydrophobicContact CE2-CB 3.77Å; F319-Q328 HydrophobicContact CE2-CG 3.58Å; F319-Q328 HydrophobicContact CZ-CB 4.04Å; F319-Q328 HydrophobicContact CZ-CG 4.19Å; F319-L402 HydrophobicContact CE1-CD1 4.15Å; F319-L402 HydrophobicContact CE1-CD2 3.96Å; F319-L402 HydrophobicContact CZ-CD2 4.04Å
320P81.6Confident84.3Confident31 Ų3149.1 Ų49.120%0.20125%0.248CC..PPolyproline II helixtrans-58.1149.5175.7-20.929000111.9N152 F156 N322 T323N152-P320 HydrophobicContact CB-CB 3.94Å; N152-P320 HydrophobicContact CB-CG 4.27Å; F156-P320 HydrophobicContact CB-CG 3.76Å; F156-P320 VanDerWaalsContact CD2-CD 3.41Å; F156-P320 HydrophobicContact CD2-CG 3.89Å; F156-P320 HydrophobicContact CG-CG 3.98Å; P320-N322 PolarHBondContact O-N 2.88Å; P320-T323 HydrophobicContact CB-CG2 3.88Å; P320-T323 WeakPolarHBondContact CD-OG1 3.45Å; P320-T323 HydrophobicContact CG-CG2 4.33Å; P320-T323 WeakPolarHBondContact O-CB 3.29Å; P320-T323 PolarHBondContact O-N 2.76Å; P320-T323 PolarHBondContact O-OG1 2.75Å
321Y72.8Confident83.8Confident178 Ų17842.6 Ų42.670%0.69822%0.219SC*.THydrogen-bonded Turntrans-46.7130.6179.8-69.4-75.7000112.9T323Y321-T323 PolarHBondContact O-N 3.1Å
322N65.4Low83Confident127 Ų12740.5 Ų40.568%0.67921%0.208SC*.THydrogen-bonded Turntrans6413.3-179.7-48.4-65.6000116.3V149 P320V149-N322 WeakPolarHBondContact CG1-O 2.86Å; P320-N322 PolarHBondContact O-N 2.88Å
323T67.5Low81.8Confident0 Ų039.1 Ų39.10%019%0.193CC..  trans-93.9-17.717565.90000113.9V149 N152 V153 P320 Y321 T325 L326 I327V149-T323 HydrophobicContact CG1-CG2 4.01Å; N152-T323 HydrophobicContact CB-CG2 4.5Å; V153-T323 HydrophobicContact CG2-CG2 3.76Å; P320-T323 HydrophobicContact CB-CG2 3.88Å; P320-T323 WeakPolarHBondContact CD-OG1 3.45Å; P320-T323 HydrophobicContact CG-CG2 4.33Å; P320-T323 WeakPolarHBondContact O-CB 3.29Å; P320-T323 PolarHBondContact O-N 2.76Å; P320-T323 PolarHBondContact O-OG1 2.75Å; Y321-T323 PolarHBondContact O-N 3.1Å; T323-T325 PolarHBondContact O-N 2.86Å; T323-L326 WeakPolarHBondContact O-CA 3.41Å; T323-L326 WeakPolarHBondContact O-CB 3.47Å; T323-L326 PolarHBondContact O-N 2.91Å; T323-I327 WeakPolarHBondContact O-CG1 3.07Å; T323-I327 PolarHBondContact O-N 2.87Å; T323-I327 VanDerWaalsContact O-N 3.09Å
324S68.1Low81.2Confident15 Ų1534.7 Ų34.711%0.10518%0.177CC..Hα-helixtrans-50.5-49.6-175.1-49.80000114D296 L326 I327 Q328D296-S324 WeakPolarHBondContact CB-OG 3.31Å; S324-L326 PolarHBondContact O-N 3.2Å; S324-L326 VanDerWaalsContact O-N 3.11Å; S324-I327 PolarHBondContact O-N 3.35Å; S324-Q328 WeakPolarHBondContact O-CB 3.15Å; S324-Q328 PolarHBondContact O-N 3.47Å
325T66.4Low80.4Confident106 Ų10635.3 Ų35.365%0.6518%0.18SC*.Hα-helixtrans-65.3-15.4178.453.30000114.2T323T323-T325 PolarHBondContact O-N 2.86Å
326L70.1Confident79.5Confident63 Ų6336 Ų3633%0.3319%0.186SC..Hα-helixtrans-97.5-31.7178.6-60178.4000113.6L146 V149 T323 S324 N401L146-L326 HydrophobicContact CD2-CD1 4.25Å; V149-L326 HydrophobicContact CB-CD1 4.33Å; V149-L326 HydrophobicContact CG1-CD1 3.53Å; T323-L326 WeakPolarHBondContact O-CA 3.41Å; T323-L326 WeakPolarHBondContact O-CB 3.47Å; T323-L326 PolarHBondContact O-N 2.91Å; S324-L326 PolarHBondContact O-N 3.2Å; S324-L326 VanDerWaalsContact O-N 3.11Å; L326-N401 PolarHBondContact O-ND2 3.27Å
327I80.4Confident78.6Confident3 Ų335.8 Ų35.82%0.01518%0.184CC..Hα-helixtrans-140.5-4.5-168.660.3161.6000116.1V153 F156 F319 T323 S324 P329 L402V153-I327 HydrophobicContact CG1-CD1 4.26Å; V153-I327 HydrophobicContact CG1-CG2 3.84Å; V153-I327 HydrophobicContact CG2-CD1 4.13Å; V153-I327 HydrophobicContact CG2-CG2 4.29Å; F156-I327 HydrophobicContact CD1-CD1 3.77Å; F156-I327 HydrophobicContact CE1-CD1 4.14Å; F319-I327 HydrophobicContact CD1-CD1 3.73Å; F319-I327 HydrophobicContact CD1-CG1 3.92Å; F319-I327 HydrophobicContact CE1-CD1 4.05Å; F319-I327 HydrophobicContact CE1-CG1 4.11Å; T323-I327 WeakPolarHBondContact O-CG1 3.07Å; T323-I327 PolarHBondContact O-N 2.87Å; T323-I327 VanDerWaalsContact O-N 3.09Å; S324-I327 PolarHBondContact O-N 3.35Å; I327-P329 WeakPolarHBondContact O-CD 3.46Å; I327-L402 HydrophobicContact CB-CD1 4.25Å; I327-L402 HydrophobicContact CD1-CD1 4.12Å
328Q86.5Confident78.2Confident0 Ų035 Ų350%018%0.181CC..  trans-76.2121.3175.2-178.2179.820.900109.6G177 D178 F319 S324 M330 N331 Q332G177-Q328 PolarHBondContact O-NE2 3.26Å; D178-Q328 VanDerWaalsContact CB-NE2 3.32Å; D178-Q328 PolarHBondContact OD1-NE2 3.35Å; D178-Q328 PolarHBondContact OD1-OE1 2.95Å; F319-Q328 HydrophobicContact CD2-CB 4.06Å; F319-Q328 HydrophobicContact CD2-CG 4.04Å; F319-Q328 HydrophobicContact CE2-CB 3.77Å; F319-Q328 HydrophobicContact CE2-CG 3.58Å; F319-Q328 HydrophobicContact CZ-CB 4.04Å; F319-Q328 HydrophobicContact CZ-CG 4.19Å; S324-Q328 WeakPolarHBondContact O-CB 3.15Å; S324-Q328 PolarHBondContact O-N 3.47Å; Q328-M330 VanDerWaalsContact C-N 3.33Å; Q328-M330 PolarHBondContact O-N 2.69Å; Q328-N331 PolarHBondContact O-N 3.43Å; Q328-N331 PolarHBondContact OE1-ND2 3.29Å; Q328-Q332 PolarHBondContact O-N 3.04Å
329P90.1Very high77.7Confident1 Ų135 Ų351%0.00618%0.18CC..G310 helixtrans-55.5-41.9-174.9-28.935.4000114I327 N331 Q332 A398 W399 L402I327-P329 WeakPolarHBondContact O-CD 3.46Å; P329-N331 PolarHBondContact O-N 3.41Å; P329-N331 VanDerWaalsContact O-N 3.11Å; P329-Q332 WeakPolarHBondContact O-CB 3.12Å; P329-Q332 PolarHBondContact O-N 3.43Å; P329-A398 HydrophobicContact CB-CB 4.3Å; P329-A398 WeakPolarHBondContact O-CB 3.4Å; P329-W399 HydrophobicContact CB-CD2 3.87Å; P329-W399 HydrophobicContact CB-CG 3.9Å; P329-W399 HydrophobicContact CB-CZ2 4.38Å; P329-W399 HydrophobicContact CG-CD2 3.39Å; P329-W399 HydrophobicContact CG-CE3 3.72Å; P329-W399 HydrophobicContact CG-CG 3.81Å; P329-W399 HydrophobicContact CG-CH2 4.29Å; P329-W399 HydrophobicContact CG-CZ2 4.01Å; P329-W399 HydrophobicContact CG-CZ3 4.15Å; P329-L402 HydrophobicContact CG-CD2 4.04Å
330M88.3Confident77.3Confident2 Ų237 Ų371%0.0119%0.188CC..G310 helixtrans-58.7-29.5179-74.4-62164.200114S176 D178 L214 A216 Q328 V334 I335 W387S176-M330 WeakPolarHBondContact O-CE 3.35Å; D178-M330 HydrophobicContact CB-CB 3.5Å; D178-M330 VanDerWaalsContact CB-CB 3.5Å; D178-M330 HydrophobicContact CB-CG 4.08Å; L214-M330 HydrophobicContact CB-SD 4.24Å; A216-M330 HydrophobicContact CB-CE 3.67Å; A216-M330 VanDerWaalsContact N-CE 3.26Å; Q328-M330 VanDerWaalsContact C-N 3.33Å; Q328-M330 PolarHBondContact O-N 2.69Å; M330-V334 HydrophobicContact CE-CG1 4.44Å; M330-V334 HydrophobicContact SD-CB 4.02Å; M330-V334 HydrophobicContact SD-CG1 3.61Å; M330-I335 HydrophobicContact CB-CD1 4.06Å; M330-I335 HydrophobicContact CB-CG1 4.43Å; M330-I335 PolarHBondContact O-N 3.43Å; M330-I335 VanDerWaalsContact O-N 3.15Å; M330-W387 HydrophobicContact CE-CH2 4.14Å
331N81.7Confident77.2Confident63 Ų6336.5 Ų36.534%0.33718%0.183SC..G310 helixtrans-86.4-9.4175.5-82.7-53.8000114D178 Q328 P329 G333D178-N331 PolarHBondContact OD2-ND2 3.1Å; D178-N331 PolarHBondContact OD2-OD1 3.26Å; Q328-N331 PolarHBondContact O-N 3.43Å; Q328-N331 PolarHBondContact OE1-ND2 3.29Å; P329-N331 PolarHBondContact O-N 3.41Å; P329-N331 VanDerWaalsContact O-N 3.11Å; N331-G333 PolarHBondContact O-N 2.8Å
332Q75.9Confident77.7Confident14 Ų1428.1 Ų28.17%0.06515%0.15CC..THydrogen-bonded Turntrans-83.648.2171.2-50.6-54.8-76.100111.4Q328 P329 A398 N401 P408Q328-Q332 PolarHBondContact O-N 3.04Å; P329-Q332 WeakPolarHBondContact O-CB 3.12Å; P329-Q332 PolarHBondContact O-N 3.43Å; Q332-A398 HydrophobicContact CB-CB 3.89Å; Q332-A398 WeakPolarHBondContact CG-O 3.2Å; Q332-N401 PolarHBondContact OE1-ND2 2.93Å; Q332-P408 HydrophobicContact CB-CB 4.34Å; Q332-P408 HydrophobicContact CB-CG 4.16Å
333G70.1Confident78.3Confident6 Ų622.1 Ų22.16%0.06212%0.118CC..THydrogen-bonded Turntrans93.7-15.4171.500000117N331 L336 S337N331-G333 PolarHBondContact O-N 2.8Å; G333-L336 PolarHBondContact O-N 2.58Å; G333-S337 PolarHBondContact O-N 2.92Å; G333-S337 PolarHBondContact O-OG 3.16Å
334V81.8Confident78.6Confident1 Ų124.7 Ų24.71%0.00613%0.128CC..Hα-helixtrans-60.7-52.3-178.9-178.80000112M330 L336 S337 C338 W387 V390 I395 A398M330-V334 HydrophobicContact CE-CG1 4.44Å; M330-V334 HydrophobicContact SD-CB 4.02Å; M330-V334 HydrophobicContact SD-CG1 3.61Å; V334-L336 VanDerWaalsContact C-N 3.29Å; V334-L336 PolarHBondContact O-N 2.88Å; V334-S337 PolarHBondContact O-N 2.83Å; V334-C338 PolarHBondContact O-N 3.38Å; V334-C338 VanDerWaalsContact O-N 3.1Å; V334-W387 HydrophobicContact CG1-CH2 4.14Å; V334-W387 HydrophobicContact CG1-CZ3 3.73Å; V334-V390 HydrophobicContact CG1-CG1 4.25Å; V334-I395 HydrophobicContact CG1-CG1 3.98Å; V334-I395 HydrophobicContact CG2-CG1 4.22Å; V334-A398 HydrophobicContact CG2-CB 3.57Å
335I81.8Confident79.2Confident12 Ų1224.4 Ų24.46%0.06213%0.125CC..Hα-helixtrans-59.5-40.3175.6-80169.1000111.6D178 T180 L214 M330 C338 K339D178-I335 HydrophobicContact CB-CD1 3.8Å; D178-I335 WeakPolarHBondContact OD2-CD1 3.18Å; T180-I335 HydrophobicContact CG2-CG2 4.15Å; T180-I335 VanDerWaalsContact OG1-CG2 3.31Å; T180-I335 WeakPolarHBondContact OG1-CG2 3.37Å; L214-I335 HydrophobicContact CD1-CG1 4.01Å; M330-I335 HydrophobicContact CB-CD1 4.06Å; M330-I335 HydrophobicContact CB-CG1 4.43Å; M330-I335 PolarHBondContact O-N 3.43Å; M330-I335 VanDerWaalsContact O-N 3.15Å; I335-C338 PolarHBondContact O-N 3.17Å; I335-K339 HydrophobicContact CG2-CD 4.11Å; I335-K339 WeakPolarHBondContact O-CB 3.24Å; I335-K339 WeakPolarHBondContact O-CG 3.37Å; I335-K339 PolarHBondContact O-N 3.19Å
336L76.3Confident79.8Confident66 Ų6619.3 Ų19.335%0.3469%0.094SC..Hα-helixtrans-64.4-44.3-179.2178.259.9000111.3G333 V334 K339 R340 F412G333-L336 PolarHBondContact O-N 2.58Å; V334-L336 VanDerWaalsContact C-N 3.29Å; V334-L336 PolarHBondContact O-N 2.88Å; L336-K339 PolarHBondContact O-N 3.3Å; L336-R340 HydrophobicContact CD1-CG 4.47Å; L336-R340 WeakPolarHBondContact O-CG 3.31Å; L336-R340 PolarHBondContact O-N 3.02Å; L336-F412 HydrophobicContact CD2-CE1 4.33Å; L336-F412 HydrophobicContact CD2-CZ 3.94Å; L336-F412 HydrophobicContact CG-CE1 4.49Å
337S76.2Confident79.8Confident4 Ų416.8 Ų16.83%0.0288%0.08CC..Hα-helixtrans-62-44.3175.8-630000111.6G333 V334 K339 R340 L341G333-S337 PolarHBondContact O-N 2.92Å; G333-S337 PolarHBondContact O-OG 3.16Å; V334-S337 PolarHBondContact O-N 2.83Å; S337-K339 VanDerWaalsContact C-N 3.35Å; S337-K339 PolarHBondContact O-N 2.82Å; S337-R340 PolarHBondContact O-N 3.39Å; S337-L341 WeakPolarHBondContact O-CG 3.33Å; S337-L341 PolarHBondContact O-N 3.17Å
338C84.9Confident79.3Confident0 Ų020.6 Ų20.60%010%0.098CC..Hα-helixtrans-59.7-43174.6-1670000112.1L214 V334 I335 L341 Y342 W383 W387 V390L214-C338 HydrophobicContact CD1-CB 3.88Å; V334-C338 PolarHBondContact O-N 3.38Å; V334-C338 VanDerWaalsContact O-N 3.1Å; I335-C338 PolarHBondContact O-N 3.17Å; C338-L341 PolarHBondContact O-N 2.93Å; C338-Y342 WeakPolarHBondContact O-CB 3.41Å; C338-Y342 PolarHBondContact O-N 3.03Å; C338-W383 HydrophobicContact CB-CH2 4.18Å; C338-W383 HydrophobicContact CB-CZ3 4.41Å; C338-W383 VanDerWaalsContact SG-CH2 3.55Å; C338-W387 HydrophobicContact CB-CE3 4.5Å; C338-V390 HydrophobicContact CB-CG2 3.72Å
339K80.2Confident78.5Confident42 Ų4223.9 Ų23.918%0.18311%0.113CC..Hα-helixtrans-65.6-39.2176.7-79.6-178.5164.5179.90113.1T180 D181 L182 I335 L336 S337 Y342 R343 W383T180-K339 VanDerWaalsContact OG1-CE 3.23Å; T180-K339 WeakPolarHBondContact OG1-CE 3.49Å; T180-K339 PolarHBondContact OG1-NZ 2.8Å; D181-K339 WeakPolarHBondContact O-CE 3.29Å; D181-K339 PolarHBondContact O-NZ 3.12Å; L182-K339 HydrophobicContact CD2-CG 4.1Å; I335-K339 HydrophobicContact CG2-CD 4.11Å; I335-K339 WeakPolarHBondContact O-CB 3.24Å; I335-K339 WeakPolarHBondContact O-CG 3.37Å; I335-K339 PolarHBondContact O-N 3.19Å; L336-K339 PolarHBondContact O-N 3.3Å; S337-K339 VanDerWaalsContact C-N 3.35Å; S337-K339 PolarHBondContact O-N 2.82Å; K339-Y342 PolarHBondContact O-N 2.88Å; K339-R343 VanDerWaalsContact O-CG 3.31Å; K339-R343 WeakPolarHBondContact O-CG 3.05Å; K339-R343 PolarHBondContact O-N 2.91Å; K339-W383 HydrophobicContact CG-CH2 4.25Å; K339-W383 HydrophobicContact CG-CZ3 4.06Å
340R76.6Confident77.2Confident44 Ų4424.4 Ų24.417%0.16612%0.117CC..Hα-helixtrans-63.3-48.2174.7-79-172.3-175.1179.49.5111.7L336 S337 Y342 R343 W344 L415 Y420L336-R340 HydrophobicContact CD1-CG 4.47Å; L336-R340 WeakPolarHBondContact O-CG 3.31Å; L336-R340 PolarHBondContact O-N 3.02Å; S337-R340 PolarHBondContact O-N 3.39Å; R340-Y342 VanDerWaalsContact C-N 3.29Å; R340-Y342 PolarHBondContact O-N 3.42Å; R340-R343 PolarHBondContact O-N 3.28Å; R340-W344 PolarHBondContact O-N 2.99Å; R340-L415 HydrophobicContact CB-CD2 4.36Å; R340-L415 PolarHBondContact NH1-O 2.84Å; R340-Y420 WeakPolarHBondContact CA-OH 3.44Å; R340-Y420 WeakPolarHBondContact CB-OH 3.31Å; R340-Y420 PolarHBondContact O-OH 3.41Å
341L80Confident75.6Confident19 Ų1926.9 Ų26.910%0.09913%0.13CC..Hα-helixtrans-58-41.4173.6-74.3163.3000111.7S337 C338 W344 K345 S386 E389 V390 L415S337-L341 WeakPolarHBondContact O-CG 3.33Å; S337-L341 PolarHBondContact O-N 3.17Å; C338-L341 PolarHBondContact O-N 2.93Å; L341-W344 WeakPolarHBondContact O-CB 3.38Å; L341-W344 PolarHBondContact O-N 2.88Å; L341-K345 WeakPolarHBondContact O-CG 3.48Å; L341-K345 PolarHBondContact O-N 3.25Å; L341-S386 WeakPolarHBondContact CD1-O 3.47Å; L341-S386 PolarHBondContact O-OG 2.83Å; L341-E389 HydrophobicContact CD1-CB 4.06Å; L341-E389 HydrophobicContact CD2-CB 4.36Å; L341-V390 HydrophobicContact CD1-CG2 4.13Å; L341-L415 HydrophobicContact CD1-CD1 4.49Å; L341-L415 HydrophobicContact CD2-CD1 4.35Å; L341-L415 HydrophobicContact CD2-CD2 3.82Å; L341-L415 HydrophobicContact CG-CD1 4.07Å; L341-L415 HydrophobicContact CG-CD2 4.02Å
342Y84.3Confident74.1Confident2 Ų228.2 Ų28.21%0.00814%0.141CC..Hα-helixtrans-62.1-45.6176.9171.2-98.7000112.4W184 C338 K339 R340 W344 K345 Q346 Y374 A379 N382 W383 S386W184-Y342 WeakPolarHBondContact CB-OH 3.41Å; C338-Y342 WeakPolarHBondContact O-CB 3.41Å; C338-Y342 PolarHBondContact O-N 3.03Å; K339-Y342 PolarHBondContact O-N 2.88Å; R340-Y342 VanDerWaalsContact C-N 3.29Å; R340-Y342 PolarHBondContact O-N 3.42Å; Y342-W344 VanDerWaalsContact C-N 3.32Å; Y342-W344 PolarHBondContact O-N 3.24Å; Y342-K345 PolarHBondContact O-N 2.8Å; Y342-Q346 WeakPolarHBondContact O-CB 3.28Å; Y342-Q346 PolarHBondContact O-N 3.2Å; Y342-Y374 PolarHBondContact OH-OH 3.43Å; Y342-A379 WeakPolarHBondContact CE2-O 3.27Å; Y342-N382 HydrophobicContact CD2-CB 4.05Å; Y342-N382 HydrophobicContact CE2-CB 4.03Å; Y342-W383 HydrophobicContact CD2-CB 4.12Å; Y342-W383 HydrophobicContact CD2-CE3 4.07Å; Y342-W383 HydrophobicContact CE2-CB 4.42Å; Y342-W383 AromaticContact CG-CE3 3.96Å; Y342-W383 HydrophobicContact CG-CE3 3.96Å; Y342-S386 WeakPolarHBondContact CA-OG 3.14Å; Y342-S386 PolarHBondContact N-OG 3.49Å
343R76.4Confident72.7Confident2 Ų229.1 Ų29.11%0.00815%0.146CC..Hα-helixtrans-63.7-38.1176.8-69.2-70.1169.5-161.93111.4F183 S186 K339 R340 L347 W440 D444F183-R343 PolarHBondContact O-NH2 3.49Å; S186-R343 PolarHBondContact O-NH1 3.1Å; K339-R343 VanDerWaalsContact O-CG 3.31Å; K339-R343 WeakPolarHBondContact O-CG 3.05Å; K339-R343 PolarHBondContact O-N 2.91Å; R340-R343 PolarHBondContact O-N 3.28Å; R343-L347 PolarHBondContact O-N 2.95Å; R343-W440 HydrophobicContact CB-CH2 3.73Å; R343-W440 HydrophobicContact CB-CZ2 4.2Å; R343-W440 HydrophobicContact CB-CZ3 4.38Å; R343-W440 HydrophobicContact CG-CH2 4.48Å; R343-W440 WeakPolarHBondContact O-CH2 3.49Å; R343-D444 IonicContact CZ-OD1 2.8Å; R343-D444 IonicContact CZ-OD2 2.69Å; R343-D444 IonicContact NE-OD2 2.74Å; R343-D444 PolarHBondContact NE-OD2 3.06Å; R343-D444 VanDerWaalsContact NE-OD2 3.1Å; R343-D444 IonicContact NH2-OD1 3.7Å; R343-D444 PolarHBondContact NH2-OD1 3.33Å; R343-D444 IonicContact NH2-OD2 3.93Å; R343-D444 PolarHBondContact NH2-OD2 3.3Å
344W74.3Confident71.2Confident53 Ų5334 Ų3420%0.20117%0.165CC..Hα-helixtrans-59.6-53173.6-175.9-79.8000112.1R340 L341 Y342 Q346 L347 E348 D419 Y420 I423R340-W344 PolarHBondContact O-N 2.99Å; L341-W344 WeakPolarHBondContact O-CB 3.38Å; L341-W344 PolarHBondContact O-N 2.88Å; Y342-W344 VanDerWaalsContact C-N 3.32Å; Y342-W344 PolarHBondContact O-N 3.24Å; W344-Q346 VanDerWaalsContact C-N 3.31Å; W344-Q346 PolarHBondContact O-N 3.12Å; W344-L347 WeakPolarHBondContact O-CA 3.24Å; W344-L347 WeakPolarHBondContact O-CB 3.33Å; W344-L347 PolarHBondContact O-N 3.24Å; W344-E348 VanDerWaalsContact CD1-CD 3.44Å; W344-E348 PolarHBondContact NE1-OE1 2.56Å; W344-E348 PolarHBondContact O-N 3.47Å; W344-D419 HydrophobicContact CH2-CB 4.28Å; W344-D419 HydrophobicContact CZ3-CB 3.92Å; W344-Y420 HydrophobicContact CB-CE1 3.92Å; W344-Y420 HydrophobicContact CD2-CE1 4.43Å; W344-Y420 AromaticContact CE3-CD1 3.74Å; W344-Y420 HydrophobicContact CE3-CD1 3.74Å; W344-Y420 HydrophobicContact CE3-CD2 4.2Å; W344-Y420 AromaticContact CE3-CE1 3.64Å; W344-Y420 HydrophobicContact CE3-CE1 3.64Å; W344-Y420 HydrophobicContact CE3-CE2 4.1Å; W344-Y420 HydrophobicContact CE3-CG 4.03Å; W344-Y420 AromaticContact CE3-CZ 3.81Å; W344-Y420 HydrophobicContact CZ3-CD1 4.32Å; W344-Y420 HydrophobicContact CZ3-CD2 4.28Å; W344-Y420 HydrophobicContact CZ3-CG 4.18Å; W344-I423 HydrophobicContact CD2-CD1 4.35Å; W344-I423 HydrophobicContact CE3-CD1 4.45Å; W344-I423 HydrophobicContact CH2-CD1 3.42Å; W344-I423 VanDerWaalsContact CH2-CD1 3.42Å; W344-I423 HydrophobicContact CH2-CG1 4.07Å; W344-I423 HydrophobicContact CZ2-CD1 3.25Å; W344-I423 HydrophobicContact CZ2-CG1 4.32Å; W344-I423 HydrophobicContact CZ3-CD1 4.03Å
345K81.6Confident69.3Low9 Ų940.9 Ų40.94%0.03920%0.197CC..Hα-helixtrans-64.4-36.7-178.1-65.6176.8-155.7-55.20112.7L341 Y342 L347 E348 E349 N382 K385 S386 E389L341-K345 WeakPolarHBondContact O-CG 3.48Å; L341-K345 PolarHBondContact O-N 3.25Å; Y342-K345 PolarHBondContact O-N 2.8Å; K345-L347 VanDerWaalsContact C-N 3.28Å; K345-L347 PolarHBondContact O-N 2.79Å; K345-E348 PolarHBondContact O-N 3.32Å; K345-E349 PolarHBondContact O-N 2.89Å; K345-N382 HydrophobicContact CB-CB 4Å; K345-K385 HydrophobicContact CD-CB 4.08Å; K345-K385 HydrophobicContact CD-CD 4.12Å; K345-K385 HydrophobicContact CD-CG 4.02Å; K345-S386 WeakPolarHBondContact CD-OG 3.39Å; K345-S386 WeakPolarHBondContact CE-OG 3.17Å; K345-E389 WeakPolarHBondContact CE-OE1 3.41Å; K345-E389 WeakPolarHBondContact CE-OE2 3.43Å; K345-E389 IonicContact NZ-OE1 2.58Å; K345-E389 PolarHBondContact NZ-OE1 3.36Å; K345-E389 IonicContact NZ-OE2 2.62Å; K345-E389 PolarHBondContact NZ-OE2 3.3Å
346Q78.1Confident67.3Low0 Ų047.6 Ų47.60%023%0.229CC..Hα-helixtrans-59-38.7171.8175.917346.900112.3W184 M187 Y342 W344 S350 Y374W184-Q346 PolarHBondContact O-NE2 2.96Å; M187-Q346 HydrophobicContact SD-CG 3.87Å; Y342-Q346 WeakPolarHBondContact O-CB 3.28Å; Y342-Q346 PolarHBondContact O-N 3.2Å; W344-Q346 VanDerWaalsContact C-N 3.31Å; W344-Q346 PolarHBondContact O-N 3.12Å; Q346-S350 WeakPolarHBondContact O-CB 3.21Å; Q346-S350 PolarHBondContact O-N 2.87Å; Q346-S350 PolarHBondContact O-OG 2.98Å; Q346-Y374 HydrophobicContact CB-CE2 4.37Å; Q346-Y374 HydrophobicContact CG-CE1 4.05Å; Q346-Y374 HydrophobicContact CG-CE2 4.01Å
347L69.4Low65.5Low9 Ų948.1 Ų48.15%0.04724%0.238CC..Hα-helixtrans-67-51.4173.3-71173.5000111.4P188 R343 W344 K345 E349 S350 L351 Y420 W440P188-L347 HydrophobicContact CG-CD2 3.51Å; R343-L347 PolarHBondContact O-N 2.95Å; W344-L347 WeakPolarHBondContact O-CA 3.24Å; W344-L347 WeakPolarHBondContact O-CB 3.33Å; W344-L347 PolarHBondContact O-N 3.24Å; K345-L347 VanDerWaalsContact C-N 3.28Å; K345-L347 PolarHBondContact O-N 2.79Å; L347-E349 PolarHBondContact O-N 2.96Å; L347-S350 CarbonylContact O-C 3.6Å; L347-S350 WeakPolarHBondContact O-CA 3.44Å; L347-S350 WeakPolarHBondContact O-CB 3.47Å; L347-S350 PolarHBondContact O-N 3.18Å; L347-L351 VanDerWaalsContact O-CG 3.28Å; L347-L351 WeakPolarHBondContact O-CG 3.37Å; L347-L351 PolarHBondContact O-N 3.15Å; L347-Y420 HydrophobicContact CD1-CD1 4.36Å; L347-W440 HydrophobicContact CD1-CH2 3.46Å; L347-W440 VanDerWaalsContact CD1-CH2 3.46Å; L347-W440 HydrophobicContact CD1-CZ2 4.48Å; L347-W440 HydrophobicContact CD1-CZ3 3.53Å; L347-W440 HydrophobicContact CD2-CH2 3.76Å; L347-W440 HydrophobicContact CD2-CZ2 4Å; L347-W440 HydrophobicContact CD2-CZ3 4.25Å; L347-W440 HydrophobicContact CG-CH2 3.39Å; L347-W440 HydrophobicContact CG-CZ2 4.02Å; L347-W440 HydrophobicContact CG-CZ3 3.99Å
348E70Confident63.8Low83 Ų8355.4 Ų55.439%0.38828%0.276SS..Hα-helixtrans-52.9-52.5-178.8-72-179.1149.400111.8W344 K345 S350 L351 V352W344-E348 VanDerWaalsContact CD1-CD 3.44Å; W344-E348 PolarHBondContact NE1-OE1 2.56Å; W344-E348 PolarHBondContact O-N 3.47Å; K345-E348 PolarHBondContact O-N 3.32Å; E348-S350 PolarHBondContact O-N 3.48Å; E348-L351 PolarHBondContact O-N 2.88Å; E348-V352 PolarHBondContact O-N 2.77Å
349E70.4Confident61.5Low69 Ų6962.8 Ų62.832%0.32232%0.316SS..Hα-helixtrans-63.2-32.6178.4-170-178.7177.500112K345 L347 L351 I353 Y374 S378 N382K345-E349 PolarHBondContact O-N 2.89Å; L347-E349 PolarHBondContact O-N 2.96Å; E349-L351 VanDerWaalsContact C-N 3.32Å; E349-I353 VanDerWaalsContact O-CD1 3.28Å; E349-I353 WeakPolarHBondContact O-CD1 3.34Å; E349-Y374 WeakPolarHBondContact OE2-CE2 3.41Å; E349-S378 WeakPolarHBondContact OE1-CB 3.39Å; E349-S378 PolarHBondContact OE1-OG 3.38Å; E349-S378 VanDerWaalsContact OE2-CB 3.31Å; E349-S378 WeakPolarHBondContact OE2-CB 3.5Å; E349-N382 PolarHBondContact OE2-ND2 3.42Å
350S63Low59.6Low12 Ų1270.2 Ų70.28%0.08435%0.351CS..Hα-helixtrans-73.7-20.8175.3-60.50000113.7M187 Q346 L347 E348 F354M187-S350 VanDerWaalsContact CE-CB 3.46Å; M187-S350 WeakPolarHBondContact CE-OG 3.32Å; Q346-S350 WeakPolarHBondContact O-CB 3.21Å; Q346-S350 PolarHBondContact O-N 2.87Å; Q346-S350 PolarHBondContact O-OG 2.98Å; L347-S350 CarbonylContact O-C 3.6Å; L347-S350 WeakPolarHBondContact O-CA 3.44Å; L347-S350 WeakPolarHBondContact O-CB 3.47Å; L347-S350 PolarHBondContact O-N 3.18Å; E348-S350 PolarHBondContact O-N 3.48Å; S350-F354 WeakPolarHBondContact O-CD2 3.47Å; S350-F354 VanDerWaalsContact O-CE2 3.24Å; S350-F354 WeakPolarHBondContact O-CE2 3.45Å
351L54Low57.8Low54 Ų5477 Ų7728%0.28339%0.385SS..Hα-helixtrans-89.9-35.4-177.8-71.9171.9000113.2L347 E348 E349 I353 F354 I423 C427L347-L351 VanDerWaalsContact O-CG 3.28Å; L347-L351 WeakPolarHBondContact O-CG 3.37Å; L347-L351 PolarHBondContact O-N 3.15Å; E348-L351 PolarHBondContact O-N 2.88Å; E349-L351 VanDerWaalsContact C-N 3.32Å; L351-I353 PolarHBondContact O-N 3.29Å; L351-I353 VanDerWaalsContact O-N 3.08Å; L351-F354 HydrophobicContact CD2-CD2 4.47Å; L351-F354 PolarHBondContact O-N 3.1Å; L351-I423 HydrophobicContact CD1-CG2 3.43Å; L351-I423 VanDerWaalsContact CD1-CG2 3.43Å; L351-C427 WeakPolarHBondContact CD2-SG 3.47Å
352V50.8Low55.6Low92 Ų9284 Ų8456%0.55842%0.417SS*.Hα-helixtrans-53.7-31173.6173.40000111.8E348 F354 E355E348-V352 PolarHBondContact O-N 2.77Å; V352-F354 VanDerWaalsContact C-N 3.25Å; V352-F354 PolarHBondContact O-N 3.45Å; V352-E355 PolarHBondContact O-N 3.36Å
353I46.9Very low53.4Low33 Ų3394.7 Ų94.717%0.16946%0.463CS..THydrogen-bonded Turntrans-67.9-18.2178.8-66.2160.9000113.4E349 L351 K372E349-I353 VanDerWaalsContact O-CD1 3.28Å; E349-I353 WeakPolarHBondContact O-CD1 3.34Å; L351-I353 PolarHBondContact O-N 3.29Å; L351-I353 VanDerWaalsContact O-N 3.08Å; I353-K372 HydrophobicContact CD1-CB 3.76Å; I353-K372 WeakPolarHBondContact CD1-O 3.35Å; I353-K372 HydrophobicContact CG1-CB 3.93Å; I353-K372 HydrophobicContact CG2-CB 4.04Å
354F38.9Very low51.3Low107 Ų10796.7 Ų96.747%0.46949%0.485SS..THydrogen-bonded Turntrans-91.6-13.8-179.3-72-87000114.2S350 L351 V352 I371S350-F354 WeakPolarHBondContact O-CD2 3.47Å; S350-F354 VanDerWaalsContact O-CE2 3.24Å; S350-F354 WeakPolarHBondContact O-CE2 3.45Å; L351-F354 HydrophobicContact CD2-CD2 4.47Å; L351-F354 PolarHBondContact O-N 3.1Å; V352-F354 VanDerWaalsContact C-N 3.25Å; V352-F354 PolarHBondContact O-N 3.45Å; F354-I371 HydrophobicContact CE1-CG1 4.38Å; F354-I371 HydrophobicContact CZ-CD1 4.03Å; F354-I371 HydrophobicContact CZ-CG1 4.09Å
355E41.8Very low49.5Very low146 Ų146102.4 Ų102.468%0.68252%0.519SS*.SBendtrans-90-5-179.3-65.3-169.3158.600113.7V352 S357V352-E355 PolarHBondContact O-N 3.36Å; E355-S357 VanDerWaalsContact C-N 3.3Å; E355-S357 PolarHBondContact O-N 2.74Å
356E40.1Very low47.3Very low154 Ų154110.7 Ų110.772%0.7256%0.555SS**  trans-82.420.7-176.6-68.2-176.8170.100115.2
357S37.9Very low45.1Very low77 Ų77114.1 Ų114.154%0.53859%0.591SS.*  trans-128.572.4-178.971.30000114.3E355E355-S357 VanDerWaalsContact C-N 3.3Å; E355-S357 PolarHBondContact O-N 2.74Å
358D40.2Very low43.5Very low157 Ų157118.7 Ų118.784%0.8462%0.619SS**  trans-92.420.9174.1-87.2-13.1000113.7E360D358-E360 PolarHBondContact O-N 3.1Å
359D36.3Very low41.9Very low155 Ų155118.5 Ų118.583%0.82963%0.627SS**  trans-8491172.5-79.5-37.2000111.4Q361D359-Q361 PolarHBondContact O-N 2.88Å
360E41.5Very low40.4Very low197 Ų197124.9 Ų124.992%0.92165%0.653SS**THydrogen-bonded Turntrans-67.612.9178.1-76.3-150.5129.500115.4D358D358-E360 PolarHBondContact O-N 3.1Å
361Q37.6Very low39.4Very low188 Ų188127.7 Ų127.788%0.87967%0.667SS**THydrogen-bonded Turntrans-12031.2-172-79.1-165.2-14.100116.8D359D359-Q361 PolarHBondContact O-N 2.88Å
362E33.7Very low38.9Very low164 Ų164132.2 Ų132.277%0.76668%0.684SS**  trans-140.561.8165.7-126.6178.5-138.300115.4G364E362-G364 PolarHBondContact O-N 3.43Å
363K39.3Very low39.2Very low227 Ų227135.1 Ų135.199%0.98769%0.694SS**  trans-7273162.3-79.8-177.5176.8165.70111
364G30.5Very low40.4Very low45 Ų45134.8 Ų134.846%0.46469%0.69SS.*SBendtrans-155.367.4-174.900000114.7E362 K366E362-G364 PolarHBondContact O-N 3.43Å; G364-K366 VanDerWaalsContact C-N 3.25Å; G364-K366 PolarHBondContact O-N 3.29Å
365D36.5Very low42.1Very low173 Ų173132.8 Ų132.893%0.92569%0.685SS**SBendtrans52.422.5158.5-146.522.5000118.8
366K36.3Very low43.9Very low182 Ų182127 Ų12779%0.79166%0.658SS**  trans-128.331.8174.7-72.2-176.1-178.31690114.3G364 V368G364-K366 VanDerWaalsContact C-N 3.25Å; G364-K366 PolarHBondContact O-N 3.29Å; K366-V368 VanDerWaalsContact C-N 3.26Å; K366-V368 PolarHBondContact O-N 3.32Å
367G32.2Very low45.9Very low72 Ų72124.2 Ų124.274%0.74264%0.644SS**  trans-66.774.6173.300000113.8
368V36.1Very low48Very low105 Ų105121.2 Ų121.264%0.63662%0.622SS**  trans-125.871.9159.9-172.30000107.3K366 K370K366-V368 VanDerWaalsContact C-N 3.26Å; K366-V368 PolarHBondContact O-N 3.32Å; V368-K370 PolarHBondContact O-N 3.16Å
369S36.9Very low50.2Low80 Ų80113.8 Ų113.856%0.55958%0.583SS**  trans-51.7131.4175.9-43.90000109.7I371S369-I371 PolarHBondContact O-N 3.39Å
370K37.6Very low52.7Low202 Ų202106.4 Ų106.488%0.87854%0.544SS*.  trans-67.892.5-166.7-67.7168.6-177.2161.70111.4V368 K372V368-K370 PolarHBondContact O-N 3.16Å; K370-K372 PolarHBondContact O-N 2.87Å
371I41.8Very low54.9Low71 Ų71101.1 Ų101.136%0.36452%0.518SS..  trans-61.8104165.1-58.9177.7000107.9A193 F354 S369 M373A193-I371 HydrophobicContact CB-CD1 3.6Å; F354-I371 HydrophobicContact CE1-CG1 4.38Å; F354-I371 HydrophobicContact CZ-CD1 4.03Å; F354-I371 HydrophobicContact CZ-CG1 4.09Å; S369-I371 PolarHBondContact O-N 3.39Å; I371-M373 PolarHBondContact O-N 3.48Å
372K44.9Very low57.5Low150 Ų15093 Ų9365%0.65248%0.481SS*.  trans-57.3109.6169.5-167.8178.2-170.7170.40107.2I353 K370 Y374I353-K372 HydrophobicContact CD1-CB 3.76Å; I353-K372 WeakPolarHBondContact CD1-O 3.35Å; I353-K372 HydrophobicContact CG1-CB 3.93Å; I353-K372 HydrophobicContact CG2-CB 4.04Å; K370-K372 PolarHBondContact O-N 2.87Å; K372-Y374 PolarHBondContact O-N 3.34Å
373M56.9Low60.3Low153 Ų15385.3 Ų85.375%0.75444%0.444SS*.  trans-62.3114.8-166.1-174.7169.358.700110.5I371 N375I371-M373 PolarHBondContact O-N 3.48Å; M373-N375 PolarHBondContact O-N 3Å; M373-N375 VanDerWaalsContact O-N 3.16Å
374Y70.8Confident62.9Low25 Ų2574.6 Ų74.610%0.09840%0.398CS..  trans-50.9123.4175.5-172.2-105.9000108.8W184 Y342 Q346 E349 K372 A379 N382W184-Y374 AromaticContact CE3-CD1 3.99Å; W184-Y374 HydrophobicContact CE3-CD1 3.99Å; W184-Y374 HydrophobicContact CE3-CE1 4.16Å; W184-Y374 HydrophobicContact CZ3-CD1 4.34Å; W184-Y374 WeakPolarHBondContact CZ3-O 3.44Å; W184-Y374 WeakPolarHBondContact O-CE1 3.48Å; Y342-Y374 PolarHBondContact OH-OH 3.43Å; Q346-Y374 HydrophobicContact CB-CE2 4.37Å; Q346-Y374 HydrophobicContact CG-CE1 4.05Å; Q346-Y374 HydrophobicContact CG-CE2 4.01Å; E349-Y374 WeakPolarHBondContact OE2-CE2 3.41Å; K372-Y374 PolarHBondContact O-N 3.34Å; Y374-A379 HydrophobicContact CE1-CB 3.93Å; Y374-A379 WeakPolarHBondContact OH-CA 3.06Å; Y374-N382 PolarHBondContact OH-ND2 3.14Å; Y374-N382 VanDerWaalsContact OH-ND2 3.14Å
375N76Confident65.8Low66 Ų6676.9 Ų76.935%0.35340%0.396SS..  trans-121.7169.4-165.268.267.8000111.4M373 K377 S378 A379M373-N375 PolarHBondContact O-N 3Å; M373-N375 VanDerWaalsContact O-N 3.16Å; N375-K377 VanDerWaalsContact C-N 3.25Å; N375-K377 PolarHBondContact O-N 3.17Å; N375-K377 WeakPolarHBondContact OD1-CA 3.47Å; N375-K377 VanDerWaalsContact OD1-CB 3.25Å; N375-K377 WeakPolarHBondContact OD1-CB 3.4Å; N375-K377 PolarHBondContact OD1-N 2.9Å; N375-S378 PolarHBondContact ND2-OG 3.11Å; N375-S378 WeakPolarHBondContact O-CB 3.31Å; N375-S378 PolarHBondContact O-N 2.67Å; N375-S378 PolarHBondContact OD1-N 2.95Å; N375-A379 PolarHBondContact O-N 2.58Å
376I79.1Confident68.5Low23 Ų2368.7 Ų68.712%0.11835%0.352CS..Hα-helixtrans-65-27.1-174.7-167.3166000113.1W184 L210 L234 Y249 I380W184-I376 HydrophobicContact CH2-CB 3.85Å; W184-I376 VanDerWaalsContact CH2-N 3.35Å; W184-I376 HydrophobicContact CZ2-CB 3.83Å; W184-I376 HydrophobicContact CZ2-CD1 4.46Å; W184-I376 HydrophobicContact CZ2-CG1 4.27Å; W184-I376 HydrophobicContact CZ3-CB 4.45Å; L210-I376 HydrophobicContact CD1-CG1 4.48Å; L210-I376 HydrophobicContact CD2-CD1 4.11Å; L234-I376 HydrophobicContact CD2-CD1 3.87Å; L234-I376 HydrophobicContact CD2-CG1 4.07Å; L234-I376 HydrophobicContact CD2-CG2 3.88Å; Y249-I376 HydrophobicContact CE2-CD1 4.47Å; I376-I380 HydrophobicContact CG1-CD1 4.04Å; I376-I380 WeakPolarHBondContact O-CB 3.48Å; I376-I380 WeakPolarHBondContact O-CD1 3.35Å; I376-I380 VanDerWaalsContact O-CG1 3.23Å; I376-I380 WeakPolarHBondContact O-CG1 3.48Å; I376-I380 PolarHBondContact O-N 3.39Å
377K81.4Confident71.4Confident97 Ų9760.2 Ų60.242%0.42232%0.315SS..Hα-helixtrans-67.6-50.6173.5-174-177177.4179.40109.6V238 N375 A379 I380 F381V238-K377 HydrophobicContact CG1-CB 4.41Å; V238-K377 HydrophobicContact CG1-CD 4.42Å; V238-K377 HydrophobicContact CG1-CG 4.27Å; V238-K377 HydrophobicContact CG2-CB 4.24Å; V238-K377 HydrophobicContact CG2-CD 4.44Å; N375-K377 VanDerWaalsContact C-N 3.25Å; N375-K377 PolarHBondContact O-N 3.17Å; N375-K377 WeakPolarHBondContact OD1-CA 3.47Å; N375-K377 VanDerWaalsContact OD1-CB 3.25Å; N375-K377 WeakPolarHBondContact OD1-CB 3.4Å; N375-K377 PolarHBondContact OD1-N 2.9Å; K377-A379 VanDerWaalsContact C-N 3.31Å; K377-A379 PolarHBondContact O-N 3.41Å; K377-I380 PolarHBondContact O-N 2.89Å; K377-I380 VanDerWaalsContact O-N 3.13Å; K377-F381 HydrophobicContact CD-CE2 4.44Å; K377-F381 HydrophobicContact CG-CD2 3.8Å; K377-F381 HydrophobicContact CG-CE2 3.74Å; K377-F381 VanDerWaalsContact O-CD2 3.3Å; K377-F381 WeakPolarHBondContact O-CD2 3.17Å; K377-F381 PolarHBondContact O-N 3.4Å
378S83.1Confident74.3Confident13 Ų1361.9 Ų61.99%0.09131%0.307CS..Hα-helixtrans-50.8-49.6172.7-60.50000111.8E349 N375 I380 F381 N382E349-S378 WeakPolarHBondContact OE1-CB 3.39Å; E349-S378 PolarHBondContact OE1-OG 3.38Å; E349-S378 VanDerWaalsContact OE2-CB 3.31Å; E349-S378 WeakPolarHBondContact OE2-CB 3.5Å; N375-S378 PolarHBondContact ND2-OG 3.11Å; N375-S378 WeakPolarHBondContact O-CB 3.31Å; N375-S378 PolarHBondContact O-N 2.67Å; N375-S378 PolarHBondContact OD1-N 2.95Å; S378-I380 PolarHBondContact O-N 3.29Å; S378-F381 PolarHBondContact O-N 3.01Å; S378-N382 WeakPolarHBondContact O-CB 3.49Å; S378-N382 PolarHBondContact O-N 3.2Å; S378-N382 PolarHBondContact O-ND2 3.29Å
379A85.6Confident77Confident2 Ų260.7 Ų60.72%0.01729%0.294CS..Hα-helixtrans-59-43.317700000113.8W184 Y342 Y374 N375 K377 W383W184-A379 HydrophobicContact CB-CB 3.76Å; W184-A379 HydrophobicContact CD2-CB 4.07Å; W184-A379 HydrophobicContact CE3-CB 3.88Å; W184-A379 HydrophobicContact CG-CB 4.1Å; Y342-A379 WeakPolarHBondContact CE2-O 3.27Å; Y374-A379 HydrophobicContact CE1-CB 3.93Å; Y374-A379 WeakPolarHBondContact OH-CA 3.06Å; N375-A379 PolarHBondContact O-N 2.58Å; K377-A379 VanDerWaalsContact C-N 3.31Å; K377-A379 PolarHBondContact O-N 3.41Å; A379-W383 WeakPolarHBondContact O-CB 3.39Å; A379-W383 PolarHBondContact O-N 3.39Å
380I88.1Confident79.4Confident0 Ų057.1 Ų57.10%027%0.269CS..Hα-helixtrans-66-45.8178.6-75.9167.1000111.5I228 L234 L245 V247 Y249 I376 K377 S378 W383 A384I228-I380 HydrophobicContact CD1-CG1 4.14Å; L234-I380 HydrophobicContact CD1-CD1 4.22Å; L234-I380 HydrophobicContact CD2-CD1 3.83Å; L245-I380 HydrophobicContact CD2-CG2 4.49Å; V247-I380 HydrophobicContact CB-CG2 4.4Å; V247-I380 HydrophobicContact CG1-CG2 4.09Å; V247-I380 HydrophobicContact CG2-CG2 3.44Å; V247-I380 VanDerWaalsContact CG2-CG2 3.44Å; Y249-I380 HydrophobicContact CD2-CD1 3.71Å; Y249-I380 HydrophobicContact CE2-CD1 3.9Å; I376-I380 HydrophobicContact CG1-CD1 4.04Å; I376-I380 WeakPolarHBondContact O-CB 3.48Å; I376-I380 WeakPolarHBondContact O-CD1 3.35Å; I376-I380 VanDerWaalsContact O-CG1 3.23Å; I376-I380 WeakPolarHBondContact O-CG1 3.48Å; I376-I380 PolarHBondContact O-N 3.39Å; K377-I380 PolarHBondContact O-N 2.89Å; K377-I380 VanDerWaalsContact O-N 3.13Å; S378-I380 PolarHBondContact O-N 3.29Å; I380-W383 PolarHBondContact O-N 2.95Å; I380-A384 PolarHBondContact O-N 3.39Å
381F89.4Confident81.7Confident85 Ų8551.2 Ų51.237%0.37324%0.243SC..Hα-helixtrans-68.3-41.7-179.3-84.5-107.6000111.7L245 P246 K377 S378 W383 A384 K385L245-F381 HydrophobicContact CD2-CE2 3.87Å; P246-F381 HydrophobicContact CG-CD1 4.03Å; P246-F381 HydrophobicContact CG-CD2 4.3Å; P246-F381 HydrophobicContact CG-CE1 4.15Å; P246-F381 HydrophobicContact CG-CE2 4.42Å; P246-F381 HydrophobicContact CG-CG 4.11Å; P246-F381 HydrophobicContact CG-CZ 4.35Å; K377-F381 HydrophobicContact CD-CE2 4.44Å; K377-F381 HydrophobicContact CG-CD2 3.8Å; K377-F381 HydrophobicContact CG-CE2 3.74Å; K377-F381 VanDerWaalsContact O-CD2 3.3Å; K377-F381 WeakPolarHBondContact O-CD2 3.17Å; K377-F381 PolarHBondContact O-N 3.4Å; S378-F381 PolarHBondContact O-N 3.01Å; F381-W383 VanDerWaalsContact C-N 3.33Å; F381-W383 PolarHBondContact O-N 3.1Å; F381-A384 PolarHBondContact O-N 3.44Å; F381-K385 WeakPolarHBondContact O-CB 3.36Å; F381-K385 PolarHBondContact O-N 3.04Å
382N90.4Very high84.2Confident19 Ų1952.9 Ų52.910%0.10225%0.249CC..Hα-helixtrans-65-36.7174.5-72.7-26.4000112Y342 K345 E349 Y374 S378 S386Y342-N382 HydrophobicContact CD2-CB 4.05Å; Y342-N382 HydrophobicContact CE2-CB 4.03Å; K345-N382 HydrophobicContact CB-CB 4Å; E349-N382 PolarHBondContact OE2-ND2 3.42Å; Y374-N382 PolarHBondContact OH-ND2 3.14Å; Y374-N382 VanDerWaalsContact OH-ND2 3.14Å; S378-N382 WeakPolarHBondContact O-CB 3.49Å; S378-N382 PolarHBondContact O-N 3.2Å; S378-N382 PolarHBondContact O-ND2 3.29Å; N382-S386 VanDerWaalsContact O-CB 3.27Å; N382-S386 WeakPolarHBondContact O-CB 3.4Å; N382-S386 PolarHBondContact O-N 3.1Å; N382-S386 PolarHBondContact O-OG 2.91Å
383W92.9Very high86.1Confident1 Ų149.8 Ų49.80%0.00424%0.239CC..Hα-helixtrans-63.1-49.3174.9-179.3-104.1000111.7T180 L182 A212 L214 S226 I228 C338 K339 Y342 A379 I380 F381 S386 W387T180-W383 HydrophobicContact CG2-CH2 3.83Å; T180-W383 HydrophobicContact CG2-CZ2 4.05Å; L182-W383 HydrophobicContact CD1-CD2 3.48Å; L182-W383 VanDerWaalsContact CD1-CD2 3.48Å; L182-W383 HydrophobicContact CD1-CE3 3.49Å; L182-W383 VanDerWaalsContact CD1-CE3 3.49Å; L182-W383 HydrophobicContact CD1-CG 4.05Å; L182-W383 HydrophobicContact CD1-CH2 4.08Å; L182-W383 HydrophobicContact CD1-CZ2 4.06Å; L182-W383 HydrophobicContact CD1-CZ3 3.83Å; L182-W383 HydrophobicContact CD2-CE3 3.77Å; L182-W383 HydrophobicContact CD2-CH2 3.8Å; L182-W383 HydrophobicContact CD2-CZ3 3.36Å; L182-W383 HydrophobicContact CG-CE3 4.28Å; L182-W383 HydrophobicContact CG-CH2 4.41Å; L182-W383 HydrophobicContact CG-CZ3 4.19Å; A212-W383 HydrophobicContact CB-CZ2 3.77Å; L214-W383 HydrophobicContact CD1-CH2 4.2Å; L214-W383 HydrophobicContact CD1-CZ2 3.91Å; L214-W383 HydrophobicContact CD2-CZ2 3.67Å; L214-W383 HydrophobicContact CG-CZ2 3.91Å; S226-W383 PolarHBondContact OG-NE1 3.06Å; S226-W383 VanDerWaalsContact OG-NE1 3.09Å; I228-W383 HydrophobicContact CD1-CB 4.3Å; I228-W383 HydrophobicContact CD1-CG 4.11Å; C338-W383 HydrophobicContact CB-CH2 4.18Å; C338-W383 HydrophobicContact CB-CZ3 4.41Å; C338-W383 VanDerWaalsContact SG-CH2 3.55Å; K339-W383 HydrophobicContact CG-CH2 4.25Å; K339-W383 HydrophobicContact CG-CZ3 4.06Å; Y342-W383 HydrophobicContact CD2-CB 4.12Å; Y342-W383 HydrophobicContact CD2-CE3 4.07Å; Y342-W383 HydrophobicContact CE2-CB 4.42Å; Y342-W383 AromaticContact CG-CE3 3.96Å; Y342-W383 HydrophobicContact CG-CE3 3.96Å; A379-W383 WeakPolarHBondContact O-CB 3.39Å; A379-W383 PolarHBondContact O-N 3.39Å; I380-W383 PolarHBondContact O-N 2.95Å; F381-W383 VanDerWaalsContact C-N 3.33Å; F381-W383 PolarHBondContact O-N 3.1Å; W383-S386 WeakPolarHBondContact O-CB 3.48Å; W383-S386 PolarHBondContact O-N 2.87Å; W383-S386 VanDerWaalsContact O-N 3.17Å; W383-W387 PolarHBondContact O-N 3.45Å
384A93.8Very high87.4Confident3 Ų342.9 Ų42.93%0.02521%0.206CC..Hα-helixtrans-59.3-50.917800000112P246 V247 I380 F381 S386 W387 D388P246-A384 HydrophobicContact CB-CB 3.53Å; P246-A384 HydrophobicContact CG-CB 3.6Å; V247-A384 HydrophobicContact CG1-CB 3.83Å; I380-A384 PolarHBondContact O-N 3.39Å; F381-A384 PolarHBondContact O-N 3.44Å; A384-S386 PolarHBondContact O-N 2.86Å; A384-W387 WeakPolarHBondContact O-CA 3.42Å; A384-W387 WeakPolarHBondContact O-CB 3.44Å; A384-W387 PolarHBondContact O-N 3.34Å; A384-D388 VanDerWaalsContact O-CG 3.32Å; A384-D388 PolarHBondContact O-N 2.79Å
385K92.4Very high88.3Confident93 Ų9341.8 Ų41.840%0.40420%0.201SC..Hα-helixtrans-58.9-32.9177.3-172175.4-179.6-170.90112.3K345 F381 E389K345-K385 HydrophobicContact CD-CB 4.08Å; K345-K385 HydrophobicContact CD-CD 4.12Å; K345-K385 HydrophobicContact CD-CG 4.02Å; F381-K385 WeakPolarHBondContact O-CB 3.36Å; F381-K385 PolarHBondContact O-N 3.04Å; K385-E389 WeakPolarHBondContact CE-OE1 3.48Å; K385-E389 WeakPolarHBondContact CG-OE1 3.37Å; K385-E389 WeakPolarHBondContact O-CB 3.01Å; K385-E389 WeakPolarHBondContact O-CG 3.37Å; K385-E389 PolarHBondContact O-N 3.29Å; K385-E389 VanDerWaalsContact O-N 3.07Å
386S92.8Very high89Confident0 Ų040 Ų400%020%0.196CC..Hα-helixtrans-70.7-38.2175.3-58.90000112.5L341 Y342 K345 N382 W383 A384 E389 V390L341-S386 WeakPolarHBondContact CD1-O 3.47Å; L341-S386 PolarHBondContact O-OG 2.83Å; Y342-S386 WeakPolarHBondContact CA-OG 3.14Å; Y342-S386 PolarHBondContact N-OG 3.49Å; K345-S386 WeakPolarHBondContact CD-OG 3.39Å; K345-S386 WeakPolarHBondContact CE-OG 3.17Å; N382-S386 VanDerWaalsContact O-CB 3.27Å; N382-S386 WeakPolarHBondContact O-CB 3.4Å; N382-S386 PolarHBondContact O-N 3.1Å; N382-S386 PolarHBondContact O-OG 2.91Å; W383-S386 WeakPolarHBondContact O-CB 3.48Å; W383-S386 PolarHBondContact O-N 2.87Å; W383-S386 VanDerWaalsContact O-N 3.17Å; A384-S386 PolarHBondContact O-N 2.86Å; S386-E389 PolarHBondContact O-N 3.12Å; S386-V390 WeakPolarHBondContact O-CG2 3.27Å; S386-V390 PolarHBondContact O-N 3.17Å
387W96.4Very high89.3Confident4 Ų440.1 Ų40.12%0.01520%0.197CC..Hα-helixtrans-67.4-42.3174.5179.7-131.2000111.6L214 A216 K223 L224 M330 V334 C338 W383 A384 E389 V390 I395L214-W387 HydrophobicContact CB-CH2 4.26Å; L214-W387 HydrophobicContact CB-CZ2 4.34Å; L214-W387 HydrophobicContact CB-CZ3 4.38Å; L214-W387 HydrophobicContact CD1-CD2 4.39Å; L214-W387 HydrophobicContact CD1-CE3 3.8Å; L214-W387 HydrophobicContact CD1-CZ3 3.98Å; L214-W387 HydrophobicContact CD2-CB 4.37Å; L214-W387 HydrophobicContact CD2-CD2 3.66Å; L214-W387 HydrophobicContact CD2-CE3 3.95Å; L214-W387 HydrophobicContact CD2-CG 3.84Å; L214-W387 HydrophobicContact CG-CD2 4.47Å; L214-W387 HydrophobicContact CG-CE3 4.33Å; A216-W387 HydrophobicContact CB-CH2 3.96Å; A216-W387 HydrophobicContact CB-CZ2 4.06Å; K223-W387 HydrophobicContact CB-CZ2 3.67Å; K223-W387 HydrophobicContact CD-CD2 4.22Å; K223-W387 HydrophobicContact CD-CE3 4.36Å; K223-W387 HydrophobicContact CD-CH2 3.93Å; K223-W387 HydrophobicContact CD-CZ2 3.79Å; K223-W387 HydrophobicContact CD-CZ3 4.21Å; K223-W387 HydrophobicContact CG-CH2 4.02Å; K223-W387 HydrophobicContact CG-CZ2 3.64Å; K223-W387 PolarHBondContact NZ-O 2.75Å; L224-W387 PolarHBondContact O-NE1 2.77Å; M330-W387 HydrophobicContact CE-CH2 4.14Å; V334-W387 HydrophobicContact CG1-CH2 4.14Å; V334-W387 HydrophobicContact CG1-CZ3 3.73Å; C338-W387 HydrophobicContact CB-CE3 4.5Å; W383-W387 PolarHBondContact O-N 3.45Å; A384-W387 WeakPolarHBondContact O-CA 3.42Å; A384-W387 WeakPolarHBondContact O-CB 3.44Å; A384-W387 PolarHBondContact O-N 3.34Å; W387-E389 VanDerWaalsContact C-N 3.28Å; W387-E389 PolarHBondContact O-N 3.23Å; W387-V390 HydrophobicContact CE3-CB 4.12Å; W387-V390 HydrophobicContact CE3-CG2 3.81Å; W387-V390 HydrophobicContact CZ3-CB 4.17Å; W387-V390 HydrophobicContact CZ3-CG1 4.3Å; W387-V390 HydrophobicContact CZ3-CG2 4.14Å; W387-V390 PolarHBondContact O-N 2.98Å; W387-I395 HydrophobicContact CH2-CD1 4.01Å; W387-I395 HydrophobicContact CZ3-CD1 4.33Å
388D94.6Very high89.5Confident107 Ų10735.6 Ų35.657%0.57218%0.177SC*.Hα-helixtrans-62.1-33.9175.6-65.1-26000112.2K223 A384K223-D388 PolarHBondContact NZ-O 3.25Å; A384-D388 VanDerWaalsContact O-CG 3.32Å; A384-D388 PolarHBondContact O-N 2.79Å
389E92.3Very high90Very high81 Ų8135.1 Ų35.138%0.37917%0.174SC..Hα-helixtrans-83.6-8.4176.4-75.5176.3-143.100115.3L341 K345 K385 S386 W387 K391L341-E389 HydrophobicContact CD1-CB 4.06Å; L341-E389 HydrophobicContact CD2-CB 4.36Å; K345-E389 WeakPolarHBondContact CE-OE1 3.41Å; K345-E389 WeakPolarHBondContact CE-OE2 3.43Å; K345-E389 IonicContact NZ-OE1 2.58Å; K345-E389 PolarHBondContact NZ-OE1 3.36Å; K345-E389 IonicContact NZ-OE2 2.62Å; K345-E389 PolarHBondContact NZ-OE2 3.3Å; K385-E389 WeakPolarHBondContact CE-OE1 3.48Å; K385-E389 WeakPolarHBondContact CG-OE1 3.37Å; K385-E389 WeakPolarHBondContact O-CB 3.01Å; K385-E389 WeakPolarHBondContact O-CG 3.37Å; K385-E389 PolarHBondContact O-N 3.29Å; K385-E389 VanDerWaalsContact O-N 3.07Å; S386-E389 PolarHBondContact O-N 3.12Å; W387-E389 VanDerWaalsContact C-N 3.28Å; W387-E389 PolarHBondContact O-N 3.23Å; E389-K391 PolarHBondContact O-N 2.94Å
390V87.4Confident90Very high4 Ų436.8 Ų36.82%0.02418%0.181CC..SBendtrans-60.3117.1169.8176.90000108.9K223 V334 C338 L341 S386 W387 I395K223-V390 PolarHBondContact NZ-O 3.17Å; V334-V390 HydrophobicContact CG1-CG1 4.25Å; C338-V390 HydrophobicContact CB-CG2 3.72Å; L341-V390 HydrophobicContact CD1-CG2 4.13Å; S386-V390 WeakPolarHBondContact O-CG2 3.27Å; S386-V390 PolarHBondContact O-N 3.17Å; W387-V390 HydrophobicContact CE3-CB 4.12Å; W387-V390 HydrophobicContact CE3-CG2 3.81Å; W387-V390 HydrophobicContact CZ3-CB 4.17Å; W387-V390 HydrophobicContact CZ3-CG1 4.3Å; W387-V390 HydrophobicContact CZ3-CG2 4.14Å; W387-V390 PolarHBondContact O-N 2.98Å; V390-I395 HydrophobicContact CG1-CD1 4.17Å; V390-I395 HydrophobicContact CG1-CG1 4.01Å
391K85.9Confident89.9Confident78 Ų7838.1 Ų38.134%0.33919%0.188SC..  trans-62141.4-175.6-53.7176.3-171.8175.70110.7E389 I393 T394 I395 D411 Q413E389-K391 PolarHBondContact O-N 2.94Å; K391-I393 VanDerWaalsContact C-N 3.26Å; K391-I393 HydrophobicContact CB-CG2 3.99Å; K391-I393 HydrophobicContact CD-CG2 4.33Å; K391-I393 PolarHBondContact O-N 3.47Å; K391-T394 WeakPolarHBondContact O-CB 3.04Å; K391-T394 PolarHBondContact O-N 3.23Å; K391-T394 VanDerWaalsContact O-N 3.13Å; K391-I395 PolarHBondContact O-N 2.8Å; K391-D411 WeakPolarHBondContact CD-OD2 3.5Å; K391-D411 WeakPolarHBondContact CE-OD2 3.47Å; K391-D411 IonicContact NZ-OD1 3.47Å; K391-D411 PolarHBondContact NZ-OD1 3.29Å; K391-D411 IonicContact NZ-OD2 2.68Å; K391-D411 PolarHBondContact NZ-OD2 3.44Å; K391-Q413 PolarHBondContact NZ-O 3.18Å
392Q93.4Very high89.9Confident106 Ų10634.2 Ų34.250%0.49517%0.171SC..Hα-helixtrans-53.4-42.9174176.71744.800112.2D219 T221 T394 I395 A396D219-Q392 WeakPolarHBondContact O-CG 3.17Å; D219-Q392 PolarHBondContact O-NE2 2.68Å; T221-Q392 VanDerWaalsContact CG2-NE2 3.27Å; Q392-T394 VanDerWaalsContact C-N 3.33Å; Q392-T394 PolarHBondContact O-N 3.36Å; Q392-I395 PolarHBondContact O-N 3.5Å; Q392-I395 VanDerWaalsContact O-N 3.08Å; Q392-A396 PolarHBondContact O-N 3.32Å
393I86.2Confident90Very high85 Ų8535.4 Ų35.444%0.43618%0.177SC..Hα-helixtrans-62.4-37179.9-169.261.9000112.7K391 I395 A396 N397K391-I393 VanDerWaalsContact C-N 3.26Å; K391-I393 HydrophobicContact CB-CG2 3.99Å; K391-I393 HydrophobicContact CD-CG2 4.33Å; K391-I393 PolarHBondContact O-N 3.47Å; I393-I395 VanDerWaalsContact C-N 3.25Å; I393-I395 PolarHBondContact O-N 2.95Å; I393-A396 PolarHBondContact O-N 3.09Å; I393-N397 WeakPolarHBondContact CD1-OD1 3.34Å; I393-N397 WeakPolarHBondContact O-CB 3.39Å; I393-N397 VanDerWaalsContact O-CG 3.23Å; I393-N397 PolarHBondContact O-N 3.26Å; I393-N397 PolarHBondContact O-OD1 3Å
394T83.3Confident89.7Confident9 Ų941.5 Ų41.56%0.05520%0.201CC..Hα-helixtrans-61.9-36.1175-50.20000111.3K391 Q392 A398K391-T394 WeakPolarHBondContact O-CB 3.04Å; K391-T394 PolarHBondContact O-N 3.23Å; K391-T394 VanDerWaalsContact O-N 3.13Å; Q392-T394 VanDerWaalsContact C-N 3.33Å; Q392-T394 PolarHBondContact O-N 3.36Å; T394-A398 WeakPolarHBondContact O-CB 3.15Å; T394-A398 PolarHBondContact O-N 3.14Å
395I90.1Very high89.3Confident1 Ų147.1 Ų47.11%0.00523%0.225CC..Hα-helixtrans-72.7-50175.3-62.2173.1000109.9A216 N217 K223 V334 W387 V390 K391 Q392 I393 N397 A398 W399A216-I395 HydrophobicContact CB-CD1 3.99Å; A216-I395 HydrophobicContact CB-CG2 4.11Å; N217-I395 WeakPolarHBondContact O-CG2 3.19Å; K223-I395 HydrophobicContact CD-CD1 3.64Å; K223-I395 HydrophobicContact CG-CD1 3.75Å; V334-I395 HydrophobicContact CG1-CG1 3.98Å; V334-I395 HydrophobicContact CG2-CG1 4.22Å; W387-I395 HydrophobicContact CH2-CD1 4.01Å; W387-I395 HydrophobicContact CZ3-CD1 4.33Å; V390-I395 HydrophobicContact CG1-CD1 4.17Å; V390-I395 HydrophobicContact CG1-CG1 4.01Å; K391-I395 PolarHBondContact O-N 2.8Å; Q392-I395 PolarHBondContact O-N 3.5Å; Q392-I395 VanDerWaalsContact O-N 3.08Å; I393-I395 VanDerWaalsContact C-N 3.25Å; I393-I395 PolarHBondContact O-N 2.95Å; I395-N397 PolarHBondContact O-N 3.42Å; I395-A398 VanDerWaalsContact O-CB 3.28Å; I395-A398 WeakPolarHBondContact O-CB 3.22Å; I395-A398 PolarHBondContact O-N 2.97Å; I395-A398 VanDerWaalsContact O-N 3.12Å; I395-W399 VanDerWaalsContact O-CD1 3.29Å
396A90.8Very high88.4Confident29 Ų2947.7 Ų47.724%0.2423%0.227CC..Hα-helixtrans-57.2-45.8-18000000112.7Q392 I393 A398 W399Q392-A396 PolarHBondContact O-N 3.32Å; I393-A396 PolarHBondContact O-N 3.09Å; A396-A398 VanDerWaalsContact C-N 3.26Å; A396-A398 PolarHBondContact O-N 3.49Å; A396-W399 PolarHBondContact O-N 2.87Å; A396-W399 VanDerWaalsContact O-N 3.15Å
397N84.6Confident86.9Confident25 Ų2556.2 Ų56.213%0.13427%0.267CS..Hα-helixtrans-61.1-34.5178.1-71.89.6000112.6I393 I395 W399 E400 E409I393-N397 WeakPolarHBondContact CD1-OD1 3.34Å; I393-N397 WeakPolarHBondContact O-CB 3.39Å; I393-N397 VanDerWaalsContact O-CG 3.23Å; I393-N397 PolarHBondContact O-N 3.26Å; I393-N397 PolarHBondContact O-OD1 3Å; I395-N397 PolarHBondContact O-N 3.42Å; N397-W399 PolarHBondContact O-N 2.85Å; N397-E400 WeakPolarHBondContact O-CB 3.44Å; N397-E400 PolarHBondContact O-N 3.37Å; N397-E400 VanDerWaalsContact O-N 3.09Å; N397-E409 WeakPolarHBondContact CB-O 3.14Å; N397-E409 PolarHBondContact ND2-O 2.88Å
398A86.2Confident85Confident2 Ų256.9 Ų56.92%0.01727%0.272CS..Hα-helixtrans-62.8-21.617900000113.7P329 Q332 V334 T394 I395 A396P329-A398 HydrophobicContact CB-CB 4.3Å; P329-A398 WeakPolarHBondContact O-CB 3.4Å; Q332-A398 HydrophobicContact CB-CB 3.89Å; Q332-A398 WeakPolarHBondContact CG-O 3.2Å; V334-A398 HydrophobicContact CG2-CB 3.57Å; T394-A398 WeakPolarHBondContact O-CB 3.15Å; T394-A398 PolarHBondContact O-N 3.14Å; I395-A398 VanDerWaalsContact O-CB 3.28Å; I395-A398 WeakPolarHBondContact O-CB 3.22Å; I395-A398 PolarHBondContact O-N 2.97Å; I395-A398 VanDerWaalsContact O-N 3.12Å; A396-A398 VanDerWaalsContact C-N 3.26Å; A396-A398 PolarHBondContact O-N 3.49Å
399W93.1Very high83.1Confident4 Ų458.8 Ų58.82%0.01528%0.278CS..Hα-helixtrans-86.7-15.5175.8-73.481.4000114.1L174 Y175 A218 L294 P329 I395 A396 N397 N401 L402 L403L174-W399 HydrophobicContact CB-CH2 3.92Å; L174-W399 HydrophobicContact CB-CZ3 3.97Å; Y175-W399 VanDerWaalsContact C-CH2 3.47Å; Y175-W399 WeakPolarHBondContact O-CH2 3.29Å; A218-W399 VanDerWaalsContact CA-CE2 3.49Å; A218-W399 HydrophobicContact CB-CB 4.45Å; A218-W399 HydrophobicContact CB-CD2 3.42Å; A218-W399 VanDerWaalsContact CB-CD2 3.42Å; A218-W399 HydrophobicContact CB-CE3 3.69Å; A218-W399 HydrophobicContact CB-CG 3.78Å; A218-W399 HydrophobicContact CB-CH2 4.15Å; A218-W399 HydrophobicContact CB-CZ2 3.91Å; A218-W399 HydrophobicContact CB-CZ3 4.06Å; L294-W399 HydrophobicContact CD1-CH2 3.99Å; L294-W399 HydrophobicContact CD1-CZ3 3.73Å; L294-W399 HydrophobicContact CG-CH2 4.47Å; P329-W399 HydrophobicContact CB-CD2 3.87Å; P329-W399 HydrophobicContact CB-CG 3.9Å; P329-W399 HydrophobicContact CB-CZ2 4.38Å; P329-W399 HydrophobicContact CG-CD2 3.39Å; P329-W399 HydrophobicContact CG-CE3 3.72Å; P329-W399 HydrophobicContact CG-CG 3.81Å; P329-W399 HydrophobicContact CG-CH2 4.29Å; P329-W399 HydrophobicContact CG-CZ2 4.01Å; P329-W399 HydrophobicContact CG-CZ3 4.15Å; I395-W399 VanDerWaalsContact O-CD1 3.29Å; A396-W399 PolarHBondContact O-N 2.87Å; A396-W399 VanDerWaalsContact O-N 3.15Å; N397-W399 PolarHBondContact O-N 2.85Å; W399-N401 VanDerWaalsContact C-N 3.29Å; W399-N401 PolarHBondContact O-N 3.15Å; W399-L402 HydrophobicContact CE3-CD2 4Å; W399-L402 HydrophobicContact CZ3-CD2 4.02Å; W399-L402 PolarHBondContact O-N 3.19Å; W399-L402 VanDerWaalsContact O-N 3.1Å; W399-L403 HydrophobicContact CB-CD1 4.09Å; W399-L403 HydrophobicContact CB-CG 4.44Å; W399-L403 HydrophobicContact CE3-CD1 4.06Å; W399-L403 HydrophobicContact CE3-CD2 4.37Å; W399-L403 HydrophobicContact CE3-CG 4.17Å; W399-L403 PolarHBondContact O-N 3.25Å
400E87Confident81.3Confident37 Ų3760.4 Ų60.417%0.17328%0.281CS..Hα-helixtrans-63.8-33.3-174.8-68.1-154.1118.400113.3N397 Y404 K405 K406N397-E400 WeakPolarHBondContact O-CB 3.44Å; N397-E400 PolarHBondContact O-N 3.37Å; N397-E400 VanDerWaalsContact O-N 3.09Å; E400-Y404 HydrophobicContact CB-CD2 4.27Å; E400-Y404 HydrophobicContact CG-CD2 4.15Å; E400-Y404 CarbonylContact O-C 3.48Å; E400-Y404 VanDerWaalsContact O-C 3.32Å; E400-Y404 VanDerWaalsContact O-CA 3.29Å; E400-Y404 WeakPolarHBondContact O-CA 3.28Å; E400-Y404 WeakPolarHBondContact O-CB 3.29Å; E400-Y404 PolarHBondContact O-N 3.05Å; E400-K405 PolarHBondContact O-N 2.9Å; E400-K406 HydrophobicContact CB-CB 4.18Å; E400-K406 HydrophobicContact CB-CD 4.41Å; E400-K406 PolarHBondContact O-N 3.26Å; E400-K406 WeakPolarHBondContact OE1-CD 3.3Å; E400-K406 IonicContact OE1-NZ 2.66Å; E400-K406 PolarHBondContact OE1-NZ 2.73Å; E400-K406 WeakPolarHBondContact OE2-CD 3.47Å; E400-K406 IonicContact OE2-NZ 2.71Å
401N84.6Confident79.5Confident27 Ų2762.1 Ų62.114%0.14429%0.29CS..Hα-helixtrans-64.2-46.4173.4-178.40.2000111.2R157 L326 Q332 W399 K405 K406R157-N401 PolarHBondContact NE-O 2.62Å; R157-N401 PolarHBondContact NH2-O 3.25Å; R157-N401 PolarHBondContact NH2-OD1 3.03Å; L326-N401 PolarHBondContact O-ND2 3.27Å; Q332-N401 PolarHBondContact OE1-ND2 2.93Å; W399-N401 VanDerWaalsContact C-N 3.29Å; W399-N401 PolarHBondContact O-N 3.15Å; N401-K405 WeakPolarHBondContact O-CA 3.5Å; N401-K405 PolarHBondContact O-N 3.05Å; N401-K406 WeakPolarHBondContact CA-O 3.43Å; N401-K406 VanDerWaalsContact CB-O 3.28Å; N401-K406 WeakPolarHBondContact CB-O 3.42Å; N401-K406 PolarHBondContact N-O 2.8Å
402L90.2Very high77.8Confident3 Ų360.5 Ų60.52%0.01628%0.283CS..Hα-helixtrans-66.1-50.6179.8179.155.9000112F156 R157 L160 L294 F319 I327 P329 W399F156-L402 HydrophobicContact CD1-CD1 4.26Å; F156-L402 HydrophobicContact CE1-CD1 3.97Å; R157-L402 HydrophobicContact CG-CD1 4.44Å; R157-L402 PolarHBondContact NE-O 3.41Å; L160-L402 HydrophobicContact CD2-CD1 3.92Å; L160-L402 HydrophobicContact CD2-CD2 3.86Å; L160-L402 HydrophobicContact CD2-CG 3.86Å; L294-L402 HydrophobicContact CD1-CD2 3.58Å; F319-L402 HydrophobicContact CE1-CD1 4.15Å; F319-L402 HydrophobicContact CE1-CD2 3.96Å; F319-L402 HydrophobicContact CZ-CD2 4.04Å; I327-L402 HydrophobicContact CB-CD1 4.25Å; I327-L402 HydrophobicContact CD1-CD1 4.12Å; P329-L402 HydrophobicContact CG-CD2 4.04Å; W399-L402 HydrophobicContact CE3-CD2 4Å; W399-L402 HydrophobicContact CZ3-CD2 4.02Å; W399-L402 PolarHBondContact O-N 3.19Å; W399-L402 VanDerWaalsContact O-N 3.1Å
403L91.8Very high75.6Confident44 Ų4462.8 Ų62.823%0.2329%0.294CS..Hα-helixtrans-86.9-36.5-169.5-59.5-179.6000113.8L160 I164 L171 L174 W399L160-L403 HydrophobicContact CD2-CD2 4.23Å; I164-L403 HydrophobicContact CD1-CD2 4.16Å; L171-L403 HydrophobicContact CD2-CD1 3.64Å; L174-L403 HydrophobicContact CD1-CD2 4.38Å; W399-L403 HydrophobicContact CB-CD1 4.09Å; W399-L403 HydrophobicContact CB-CG 4.44Å; W399-L403 HydrophobicContact CE3-CD1 4.06Å; W399-L403 HydrophobicContact CE3-CD2 4.37Å; W399-L403 HydrophobicContact CE3-CG 4.17Å; W399-L403 PolarHBondContact O-N 3.25Å
404Y87.6Confident73.6Confident130 Ų13060.9 Ų60.951%0.5130%0.295SS..Hα-helixtrans-122.4-0.7-169.5-49.7-54.2000114.2E400 K406E400-Y404 HydrophobicContact CB-CD2 4.27Å; E400-Y404 HydrophobicContact CG-CD2 4.15Å; E400-Y404 CarbonylContact O-C 3.48Å; E400-Y404 VanDerWaalsContact O-C 3.32Å; E400-Y404 VanDerWaalsContact O-CA 3.29Å; E400-Y404 WeakPolarHBondContact O-CA 3.28Å; E400-Y404 WeakPolarHBondContact O-CB 3.29Å; E400-Y404 PolarHBondContact O-N 3.05Å; Y404-K406 PolarHBondContact O-N 2.95Å
405K83.9Confident71.9Confident120 Ų12061.3 Ų61.352%0.52230%0.297SS..  trans60.325.1-179.5-46.4-175.1176.8-171.20114.7E154 E400 N401E154-K405 WeakPolarHBondContact OE1-CE 3.5Å; E154-K405 IonicContact OE1-NZ 3.94Å; E154-K405 PolarHBondContact OE1-NZ 3.25Å; E154-K405 WeakPolarHBondContact OE2-CE 3.32Å; E154-K405 IonicContact OE2-NZ 2.76Å; E154-K405 PolarHBondContact OE2-NZ 3.35Å; E400-K405 PolarHBondContact O-N 2.9Å; N401-K405 WeakPolarHBondContact O-CA 3.5Å; N401-K405 PolarHBondContact O-N 3.05Å
406K74.6Confident70Confident105 Ų10566.9 Ų66.946%0.45732%0.323SS..PPolyproline II helixtrans-87.9151.7172-58.2178-175.3172.90110.3E400 N401 Y404E400-K406 HydrophobicContact CB-CB 4.18Å; E400-K406 HydrophobicContact CB-CD 4.41Å; E400-K406 PolarHBondContact O-N 3.26Å; E400-K406 WeakPolarHBondContact OE1-CD 3.3Å; E400-K406 IonicContact OE1-NZ 2.66Å; E400-K406 PolarHBondContact OE1-NZ 2.73Å; E400-K406 WeakPolarHBondContact OE2-CD 3.47Å; E400-K406 IonicContact OE2-NZ 2.71Å; N401-K406 WeakPolarHBondContact CA-O 3.43Å; N401-K406 VanDerWaalsContact CB-O 3.28Å; N401-K406 WeakPolarHBondContact CB-O 3.42Å; N401-K406 PolarHBondContact N-O 2.8Å; Y404-K406 PolarHBondContact O-N 2.95Å
407E60.2Low68Low179 Ų17968.5 Ų68.584%0.83633%0.328SS*.PPolyproline II helixtrans-68.5136.5166.1-64.5-167.415900108.9E409E407-E409 PolarHBondContact O-N 3.15Å
408P58Low66.1Low18 Ų1869.1 Ų69.112%0.11734%0.34CS..PPolyproline II helixtrans-72.5126.3-175.329.6-33.4000110.4Q332 Y410Q332-P408 HydrophobicContact CB-CB 4.34Å; Q332-P408 HydrophobicContact CB-CG 4.16Å; P408-Y410 HydrophobicContact CG-CE1 4.49Å; P408-Y410 HydrophobicContact CG-CE2 4.06Å; P408-Y410 VanDerWaalsContact O-CD2 3.28Å; P408-Y410 WeakPolarHBondContact O-CD2 3.13Å; P408-Y410 WeakPolarHBondContact O-CE2 3.44Å; P408-Y410 PolarHBondContact O-N 3.11Å
409E54.8Low64.3Low147 Ų14771.7 Ų71.769%0.68735%0.354SS*.  trans-76.4113.5172.2-71.9-171.5179.600110.5N397 E407 D411N397-E409 WeakPolarHBondContact CB-O 3.14Å; N397-E409 PolarHBondContact ND2-O 2.88Å; E407-E409 PolarHBondContact O-N 3.15Å; E409-D411 PolarHBondContact O-N 3.19Å
410Y53.2Low62.1Low116 Ų11671.6 Ų71.646%0.45535%0.353SS..  trans-84.6105.3179.8-57.6-88.7000111.7P408 F412P408-Y410 HydrophobicContact CG-CE1 4.49Å; P408-Y410 HydrophobicContact CG-CE2 4.06Å; P408-Y410 VanDerWaalsContact O-CD2 3.28Å; P408-Y410 WeakPolarHBondContact O-CD2 3.13Å; P408-Y410 WeakPolarHBondContact O-CE2 3.44Å; P408-Y410 PolarHBondContact O-N 3.11Å; Y410-F412 HydrophobicContact CD1-CE2 4.06Å; Y410-F412 AromaticContact CD1-CZ 3.9Å; Y410-F412 HydrophobicContact CD1-CZ 3.9Å; Y410-F412 AromaticContact CG-CE2 3.85Å; Y410-F412 HydrophobicContact CG-CE2 3.85Å; Y410-F412 HydrophobicContact CG-CZ 4.18Å; Y410-F412 PolarHBondContact O-N 3.35Å
411D49.8Very low60.2Low39 Ų3974.2 Ų74.221%0.20936%0.362CS..  trans-76.598.2165.3177.36.5000110.5K391 E409 Q413K391-D411 WeakPolarHBondContact CD-OD2 3.5Å; K391-D411 WeakPolarHBondContact CE-OD2 3.47Å; K391-D411 IonicContact NZ-OD1 3.47Å; K391-D411 PolarHBondContact NZ-OD1 3.29Å; K391-D411 IonicContact NZ-OD2 2.68Å; K391-D411 PolarHBondContact NZ-OD2 3.44Å; E409-D411 PolarHBondContact O-N 3.19Å; D411-Q413 WeakPolarHBondContact OD1-CB 3.46Å; D411-Q413 PolarHBondContact OD1-N 3.24Å
412F50.6Low58.5Low44 Ų4478.2 Ų78.219%0.19338%0.379CS..  trans-104.720.1168.5-64.5-58.4000112.8L336 Y410 G414 L415L336-F412 HydrophobicContact CD2-CE1 4.33Å; L336-F412 HydrophobicContact CD2-CZ 3.94Å; L336-F412 HydrophobicContact CG-CE1 4.49Å; Y410-F412 HydrophobicContact CD1-CE2 4.06Å; Y410-F412 AromaticContact CD1-CZ 3.9Å; Y410-F412 HydrophobicContact CD1-CZ 3.9Å; Y410-F412 AromaticContact CG-CE2 3.85Å; Y410-F412 HydrophobicContact CG-CE2 3.85Å; Y410-F412 HydrophobicContact CG-CZ 4.18Å; Y410-F412 PolarHBondContact O-N 3.35Å; F412-G414 PolarHBondContact O-N 3.3Å; F412-L415 WeakPolarHBondContact O-CA 3.21Å; F412-L415 PolarHBondContact O-N 2.99Å
413Q46.1Very low56.4Low154 Ų15479.4 Ų79.472%0.7239%0.385SS*.THydrogen-bonded Turntrans-63.7113-176.6-166.4179.835.400110.4K391 D411K391-Q413 PolarHBondContact NZ-O 3.18Å; D411-Q413 WeakPolarHBondContact OD1-CB 3.46Å; D411-Q413 PolarHBondContact OD1-N 3.24Å
414G44.5Very low54.3Low45 Ų4578.2 Ų78.246%0.46438%0.379SS..THydrogen-bonded Turntrans89.511.1-172.200000115.4F412 D419F412-G414 PolarHBondContact O-N 3.3Å; G414-D419 WeakPolarHBondContact CA-OD2 3.39Å
415L47.6Very low52.3Low19 Ų1977.2 Ų77.210%0.09938%0.379CS..  trans-132.830.6177.5-65.7173.2000111.6R340 L341 F412 D419R340-L415 HydrophobicContact CB-CD2 4.36Å; R340-L415 PolarHBondContact NH1-O 2.84Å; L341-L415 HydrophobicContact CD1-CD1 4.49Å; L341-L415 HydrophobicContact CD2-CD1 4.35Å; L341-L415 HydrophobicContact CD2-CD2 3.82Å; L341-L415 HydrophobicContact CG-CD1 4.07Å; L341-L415 HydrophobicContact CG-CD2 4.02Å; F412-L415 WeakPolarHBondContact O-CA 3.21Å; F412-L415 PolarHBondContact O-N 2.99Å; L415-D419 PolarHBondContact N-OD2 3.35Å
416E51Low50.3Low118 Ų11877.1 Ų77.155%0.55138%0.379SS*.SBendtrans-87.7156.7-179.7-62.9-169.8-169.100112.2G418 D419 Y420E416-G418 PolarHBondContact O-N 3.32Å; E416-D419 PolarHBondContact N-OD2 3.3Å; E416-D419 PolarHBondContact O-N 2.92Å; E416-Y420 WeakPolarHBondContact O-CD2 3.23Å
417D48.3Very low48.6Very low62 Ų6274.4 Ų74.433%0.33237%0.372SS..Hα-helixtrans-50.7-23.6174.9-86.97.1000113R438D417-R438 IonicContact OD2-CZ 3.66Å; D417-R438 IonicContact OD2-NE 2.67Å; D417-R438 PolarHBondContact OD2-NE 2.99Å; D417-R438 IonicContact OD2-NH2 2.69Å; D417-R438 PolarHBondContact OD2-NH2 2.89Å; D417-R438 VanDerWaalsContact OD2-NH2 3.1Å
418G45.3Very low47.7Very low39 Ų3968.3 Ų68.340%0.40236%0.358SS..Hα-helixtrans-76.8-33.7177.100000114.7E416 R421 E422E416-G418 PolarHBondContact O-N 3.32Å; G418-R421 WeakPolarHBondContact O-CB 3.42Å; G418-R421 PolarHBondContact O-N 3.03Å; G418-E422 PolarHBondContact O-N 2.91Å
419D48.2Very low46.6Very low56 Ų5676.2 Ų76.230%0.29939%0.393SS..Hα-helixtrans-70.8-42.2-175.1-57.3-44.9000110.6W344 G414 L415 E416 R421 E422W344-D419 HydrophobicContact CH2-CB 4.28Å; W344-D419 HydrophobicContact CZ3-CB 3.92Å; G414-D419 WeakPolarHBondContact CA-OD2 3.39Å; L415-D419 PolarHBondContact N-OD2 3.35Å; E416-D419 PolarHBondContact N-OD2 3.3Å; E416-D419 PolarHBondContact O-N 2.92Å; D419-R421 VanDerWaalsContact C-N 3.26Å; D419-R421 PolarHBondContact O-N 3Å; D419-E422 PolarHBondContact O-N 3.48Å
420Y47Very low45.8Very low1 Ų171.3 Ų71.30%0.00437%0.372CS..Hα-helixtrans-66.6-28.2176-66.1-100.7000112.6R340 W344 L347 E416 I423 L424 L441R340-Y420 WeakPolarHBondContact CA-OH 3.44Å; R340-Y420 WeakPolarHBondContact CB-OH 3.31Å; R340-Y420 PolarHBondContact O-OH 3.41Å; W344-Y420 HydrophobicContact CB-CE1 3.92Å; W344-Y420 HydrophobicContact CD2-CE1 4.43Å; W344-Y420 AromaticContact CE3-CD1 3.74Å; W344-Y420 HydrophobicContact CE3-CD1 3.74Å; W344-Y420 HydrophobicContact CE3-CD2 4.2Å; W344-Y420 AromaticContact CE3-CE1 3.64Å; W344-Y420 HydrophobicContact CE3-CE1 3.64Å; W344-Y420 HydrophobicContact CE3-CE2 4.1Å; W344-Y420 HydrophobicContact CE3-CG 4.03Å; W344-Y420 AromaticContact CE3-CZ 3.81Å; W344-Y420 HydrophobicContact CZ3-CD1 4.32Å; W344-Y420 HydrophobicContact CZ3-CD2 4.28Å; W344-Y420 HydrophobicContact CZ3-CG 4.18Å; L347-Y420 HydrophobicContact CD1-CD1 4.36Å; E416-Y420 WeakPolarHBondContact O-CD2 3.23Å; Y420-I423 PolarHBondContact O-N 2.98Å; Y420-L424 WeakPolarHBondContact O-CB 3.32Å; Y420-L424 WeakPolarHBondContact O-CD1 3.19Å; Y420-L424 VanDerWaalsContact O-CG 3.32Å; Y420-L424 WeakPolarHBondContact O-CG 3.44Å; Y420-L424 PolarHBondContact O-N 3.34Å; Y420-L441 HydrophobicContact CD1-CD1 4.28Å; Y420-L441 HydrophobicContact CD1-CD2 3.99Å; Y420-L441 HydrophobicContact CD1-CG 4.18Å; Y420-L441 HydrophobicContact CD2-CD2 3.66Å; Y420-L441 HydrophobicContact CE1-CD2 4.03Å; Y420-L441 HydrophobicContact CE1-CG 4.44Å; Y420-L441 HydrophobicContact CE2-CD2 3.73Å; Y420-L441 HydrophobicContact CG-CD1 4.07Å; Y420-L441 HydrophobicContact CG-CD2 3.81Å; Y420-L441 HydrophobicContact CG-CG 4.25Å
421R46.9Very low44.9Very low93 Ų9374.5 Ų74.535%0.35139%0.391SS..Hα-helixtrans-64.4-43.6176.1171.1-156.2-63.3-86.1-0.5110.7G418 D419 I423 L424 E425G418-R421 WeakPolarHBondContact O-CB 3.42Å; G418-R421 PolarHBondContact O-N 3.03Å; D419-R421 VanDerWaalsContact C-N 3.26Å; D419-R421 PolarHBondContact O-N 3Å; R421-I423 PolarHBondContact O-N 3.2Å; R421-L424 PolarHBondContact O-N 3.42Å; R421-L424 VanDerWaalsContact O-N 3.12Å; R421-E425 WeakPolarHBondContact CD-OE1 3.48Å; R421-E425 VanDerWaalsContact CG-CD 3.4Å; R421-E425 HydrophobicContact CG-CG 3.99Å; R421-E425 WeakPolarHBondContact CG-OE1 3.41Å; R421-E425 IonicContact NH1-OE1 2.74Å; R421-E425 WeakPolarHBondContact O-CB 3.34Å; R421-E425 WeakPolarHBondContact O-CG 3.41Å; R421-E425 PolarHBondContact O-N 3.09Å
422E49.6Very low44.3Very low110 Ų11074.9 Ų74.951%0.51439%0.394SS..Hα-helixtrans-62.5-31.5-177.4-156.5-162.613600112.1G418 D419 K426G418-E422 PolarHBondContact O-N 2.91Å; D419-E422 PolarHBondContact O-N 3.48Å; E422-K426 WeakPolarHBondContact O-CD 3.44Å; E422-K426 VanDerWaalsContact O-CG 3.28Å; E422-K426 WeakPolarHBondContact O-CG 3.27Å; E422-K426 PolarHBondContact O-N 2.91Å; E422-K426 WeakPolarHBondContact OE1-CE 3.31Å; E422-K426 IonicContact OE1-NZ 2.61Å; E422-K426 PolarHBondContact OE1-NZ 2.91Å
423I46.2Very low43.6Very low28 Ų2879 Ų7914%0.14441%0.412CS..Hα-helixtrans-73.6-49.1171.4-66.7-170.1000111W344 L351 Y420 R421 E425 K426 C427W344-I423 HydrophobicContact CD2-CD1 4.35Å; W344-I423 HydrophobicContact CE3-CD1 4.45Å; W344-I423 HydrophobicContact CH2-CD1 3.42Å; W344-I423 VanDerWaalsContact CH2-CD1 3.42Å; W344-I423 HydrophobicContact CH2-CG1 4.07Å; W344-I423 HydrophobicContact CZ2-CD1 3.25Å; W344-I423 HydrophobicContact CZ2-CG1 4.32Å; W344-I423 HydrophobicContact CZ3-CD1 4.03Å; L351-I423 HydrophobicContact CD1-CG2 3.43Å; L351-I423 VanDerWaalsContact CD1-CG2 3.43Å; Y420-I423 PolarHBondContact O-N 2.98Å; R421-I423 PolarHBondContact O-N 3.2Å; I423-E425 VanDerWaalsContact C-N 3.27Å; I423-E425 PolarHBondContact O-N 3.45Å; I423-K426 WeakPolarHBondContact O-CB 3.41Å; I423-K426 PolarHBondContact O-N 3.18Å; I423-C427 PolarHBondContact O-N 3.03Å; I423-C427 VanDerWaalsContact O-N 3.17Å; I423-C427 PolarHBondContact O-SG 3.12Å
424L46.3Very low42.9Very low20 Ų2077.3 Ų77.311%0.10541%0.407CS..Hα-helixtrans-62.7-30.6-179.8-72.8165.4000113.4Y420 R421 C427 N437Y420-L424 WeakPolarHBondContact O-CB 3.32Å; Y420-L424 WeakPolarHBondContact O-CD1 3.19Å; Y420-L424 VanDerWaalsContact O-CG 3.32Å; Y420-L424 WeakPolarHBondContact O-CG 3.44Å; Y420-L424 PolarHBondContact O-N 3.34Å; R421-L424 PolarHBondContact O-N 3.42Å; R421-L424 VanDerWaalsContact O-N 3.12Å; L424-C427 WeakPolarHBondContact O-CB 3.41Å; L424-C427 PolarHBondContact O-N 2.69Å; L424-N437 HydrophobicContact CD1-CB 4.21Å
425E46.4Very low42.3Very low109 Ų10980.4 Ų80.451%0.50941%0.413SS..Hα-helixtrans-74.2-29.1173.6-73.6175.3-177.100112R421 I423 C427 G428R421-E425 WeakPolarHBondContact CD-OE1 3.48Å; R421-E425 VanDerWaalsContact CG-CD 3.4Å; R421-E425 HydrophobicContact CG-CG 3.99Å; R421-E425 WeakPolarHBondContact CG-OE1 3.41Å; R421-E425 IonicContact NH1-OE1 2.74Å; R421-E425 WeakPolarHBondContact O-CB 3.34Å; R421-E425 WeakPolarHBondContact O-CG 3.41Å; R421-E425 PolarHBondContact O-N 3.09Å; I423-E425 VanDerWaalsContact C-N 3.27Å; I423-E425 PolarHBondContact O-N 3.45Å; E425-C427 VanDerWaalsContact C-N 3.3Å; E425-G428 WeakPolarHBondContact O-CA 3.33Å; E425-G428 PolarHBondContact O-N 2.74Å; E425-G428 VanDerWaalsContact O-N 3.16Å
426K41.7Very low41.8Very low118 Ų11882.6 Ų82.651%0.51343%0.425SS..Hα-helixtrans-71.5-22.4170-72.4166.4-167.9163.80112.9E422 I423 G428E422-K426 WeakPolarHBondContact O-CD 3.44Å; E422-K426 VanDerWaalsContact O-CG 3.28Å; E422-K426 WeakPolarHBondContact O-CG 3.27Å; E422-K426 PolarHBondContact O-N 2.91Å; E422-K426 WeakPolarHBondContact OE1-CE 3.31Å; E422-K426 IonicContact OE1-NZ 2.61Å; E422-K426 PolarHBondContact OE1-NZ 2.91Å; I423-K426 WeakPolarHBondContact O-CB 3.41Å; I423-K426 PolarHBondContact O-N 3.18Å; K426-G428 PolarHBondContact O-N 2.74Å
427C39.8Very low41.1Very low47 Ų4778 Ų7832%0.31841%0.405SS..THydrogen-bonded Turntrans-73.18.2167.6-48.50000113.7L351 I423 L424 E425 E429L351-C427 WeakPolarHBondContact CD2-SG 3.47Å; I423-C427 PolarHBondContact O-N 3.03Å; I423-C427 VanDerWaalsContact O-N 3.17Å; I423-C427 PolarHBondContact O-SG 3.12Å; L424-C427 WeakPolarHBondContact O-CB 3.41Å; L424-C427 PolarHBondContact O-N 2.69Å; E425-C427 VanDerWaalsContact C-N 3.3Å; C427-E429 PolarHBondContact O-N 3.18Å
428G39.4Very low40.5Very low51 Ų5182.1 Ų82.153%0.52642%0.415SS..  trans-81.575.3-160.300000117.4E425 K426 L430E425-G428 WeakPolarHBondContact O-CA 3.33Å; E425-G428 PolarHBondContact O-N 2.74Å; E425-G428 VanDerWaalsContact O-N 3.16Å; K426-G428 PolarHBondContact O-N 2.74Å; G428-L430 VanDerWaalsContact C-N 3.33Å
429E36.9Very low40.1Very low185 Ų18582.6 Ų82.686%0.86441%0.41SS*.SBendtrans-101.524.1134.4-88.3-151.916400111.2C427C427-E429 PolarHBondContact O-N 3.18Å
430L37.1Very low39.7Very low44 Ų4480.5 Ų80.523%0.2340%0.398CS..SBendtrans-134.1109.1-173.9-75158.5000110.5N190 R195 G428 T432N190-L430 WeakPolarHBondContact O-CD1 3.35Å; N190-L430 WeakPolarHBondContact O-CD2 3.45Å; R195-L430 VanDerWaalsContact NH1-CD2 3.33Å; G428-L430 VanDerWaalsContact C-N 3.33Å; L430-T432 PolarHBondContact O-N 2.73Å
431E34.2Very low39.2Very low183 Ų18381.2 Ų81.286%0.85540%0.402SS*.  trans-6091.4172.5-64.8-176.8152.500111.6
432T37.5Very low38.9Very low46 Ų4679.8 Ų79.828%0.28240%0.401SS..  trans-78126173.254.80000110.7L430L430-T432 PolarHBondContact O-N 2.73Å
433K35.3Very low38.2Very low130 Ų13075.4 Ų75.457%0.56539%0.385SS*.  trans-87.7143.1166.7-67.1-163.8174.4-160.30109.9D435 D436K433-D435 PolarHBondContact O-N 3Å; K433-D436 PolarHBondContact O-N 3.27Å
434L31.3Very low37.9Very low120 Ų12075.5 Ų75.563%0.62839%0.386SS*.Hα-helixtrans-47.1-28.6-176-74.5163.1000115.7
435D31.8Very low37.5Very low109 Ų10977.8 Ų77.858%0.58340%0.396SS*.Hα-helixtrans-77.1-29.2-176-139.715.1000112.4K433 V439K433-D435 PolarHBondContact O-N 3Å; D435-V439 WeakPolarHBondContact O-CG2 3.06Å
436D36.7Very low36.6Very low65 Ų6574.1 Ų74.135%0.34839%0.388SS..Hα-helixtrans-73.9-36.4-172.9-70.5-34.8000113K433 R438 V439 W440K433-D436 PolarHBondContact O-N 3.27Å; D436-R438 PolarHBondContact O-N 3.21Å; D436-V439 PolarHBondContact O-N 3.43Å; D436-W440 PolarHBondContact O-N 3Å
437N37.5Very low36.1Very low23 Ų2371.9 Ų71.912%0.12338%0.378CS..Hα-helixtrans-62.5-46.6-175.8-65.51.2000111.1L424 V439 W440 L441L424-N437 HydrophobicContact CD1-CB 4.21Å; N437-V439 PolarHBondContact O-N 3.04Å; N437-W440 PolarHBondContact O-N 3.44Å; N437-W440 VanDerWaalsContact O-N 3.12Å; N437-L441 WeakPolarHBondContact O-CD1 3.32Å; N437-L441 PolarHBondContact O-N 3.4Å
438R35.5Very low35.4Very low148 Ų14872.8 Ų72.856%0.55840%0.395SS*.Hα-helixtrans-59.6-33.2178.3-76.8-177.5164.8168.5-1.5113.3D417 D436 N442D417-R438 IonicContact OD2-CZ 3.66Å; D417-R438 IonicContact OD2-NE 2.67Å; D417-R438 PolarHBondContact OD2-NE 2.99Å; D417-R438 IonicContact OD2-NH2 2.69Å; D417-R438 PolarHBondContact OD2-NH2 2.89Å; D417-R438 VanDerWaalsContact OD2-NH2 3.1Å; D436-R438 PolarHBondContact O-N 3.21Å; R438-N442 WeakPolarHBondContact O-CB 3.27Å; R438-N442 PolarHBondContact O-N 3.38Å; R438-N442 PolarHBondContact O-ND2 3.15Å
439V36Very low34.7Very low48 Ų4876 Ų7629%0.29141%0.408SS..Hα-helixtrans-88.5-8.1-177.6-156.10000111.9D435 D436 N437 G443 K447D435-V439 WeakPolarHBondContact O-CG2 3.06Å; D436-V439 PolarHBondContact O-N 3.43Å; N437-V439 PolarHBondContact O-N 3.04Å; V439-G443 WeakPolarHBondContact O-CA 3.32Å; V439-G443 PolarHBondContact O-N 3.25Å; V439-K447 HydrophobicContact CB-CD 4.06Å; V439-K447 HydrophobicContact CG1-CB 4.31Å; V439-K447 HydrophobicContact CG1-CD 3.48Å; V439-K447 VanDerWaalsContact CG1-CD 3.48Å; V439-K447 HydrophobicContact CG1-CG 3.6Å; V439-K447 VanDerWaalsContact O-CE 3.27Å; V439-K447 WeakPolarHBondContact O-CE 3.46Å
440W39.6Very low34.1Very low12 Ų1272.5 Ų72.55%0.04540%0.395CS..Hα-helixtrans-92.9-40.6165174.277.3000112.4S186 P188 R343 L347 D436 N437 N442 G443S186-W440 PolarHBondContact O-NE1 2.8Å; S186-W440 VanDerWaalsContact O-NE1 3.14Å; P188-W440 VanDerWaalsContact CA-CD1 3.43Å; P188-W440 HydrophobicContact CB-CD2 4.22Å; P188-W440 HydrophobicContact CB-CG 4.05Å; P188-W440 HydrophobicContact CG-CD2 3.74Å; P188-W440 HydrophobicContact CG-CE3 4.29Å; P188-W440 HydrophobicContact CG-CG 4.05Å; P188-W440 HydrophobicContact CG-CZ2 4.1Å; P188-W440 VanDerWaalsContact N-CD1 3.29Å; P188-W440 VanDerWaalsContact N-NE1 3.19Å; R343-W440 HydrophobicContact CB-CH2 3.73Å; R343-W440 HydrophobicContact CB-CZ2 4.2Å; R343-W440 HydrophobicContact CB-CZ3 4.38Å; R343-W440 HydrophobicContact CG-CH2 4.48Å; R343-W440 WeakPolarHBondContact O-CH2 3.49Å; L347-W440 HydrophobicContact CD1-CH2 3.46Å; L347-W440 VanDerWaalsContact CD1-CH2 3.46Å; L347-W440 HydrophobicContact CD1-CZ2 4.48Å; L347-W440 HydrophobicContact CD1-CZ3 3.53Å; L347-W440 HydrophobicContact CD2-CH2 3.76Å; L347-W440 HydrophobicContact CD2-CZ2 4Å; L347-W440 HydrophobicContact CD2-CZ3 4.25Å; L347-W440 HydrophobicContact CG-CH2 3.39Å; L347-W440 HydrophobicContact CG-CZ2 4.02Å; L347-W440 HydrophobicContact CG-CZ3 3.99Å; D436-W440 PolarHBondContact O-N 3Å; N437-W440 PolarHBondContact O-N 3.44Å; N437-W440 VanDerWaalsContact O-N 3.12Å; W440-N442 PolarHBondContact O-N 3.06Å; W440-G443 WeakPolarHBondContact O-CA 3.43Å; W440-G443 PolarHBondContact O-N 2.87Å
441L36.8Very low33.4Very low17 Ų1777.7 Ų77.79%0.08942%0.422CS..Hα-helixtrans-54.8-38.4171.6-95.4108.1000112.2Y420 N437Y420-L441 HydrophobicContact CD1-CD1 4.28Å; Y420-L441 HydrophobicContact CD1-CD2 3.99Å; Y420-L441 HydrophobicContact CD1-CG 4.18Å; Y420-L441 HydrophobicContact CD2-CD2 3.66Å; Y420-L441 HydrophobicContact CE1-CD2 4.03Å; Y420-L441 HydrophobicContact CE1-CG 4.44Å; Y420-L441 HydrophobicContact CE2-CD2 3.73Å; Y420-L441 HydrophobicContact CG-CD1 4.07Å; Y420-L441 HydrophobicContact CG-CD2 3.81Å; Y420-L441 HydrophobicContact CG-CG 4.25Å; N437-L441 WeakPolarHBondContact O-CD1 3.32Å; N437-L441 PolarHBondContact O-N 3.4Å
442N41.9Very low33Very low63 Ų6377.2 Ų77.234%0.33742%0.417SS..THydrogen-bonded Turntrans-102.420.9174.5-53.3-67.2000112R438 W440 D444 E445R438-N442 WeakPolarHBondContact O-CB 3.27Å; R438-N442 PolarHBondContact O-N 3.38Å; R438-N442 PolarHBondContact O-ND2 3.15Å; W440-N442 PolarHBondContact O-N 3.06Å; N442-D444 PolarHBondContact O-N 3.05Å; N442-E445 WeakPolarHBondContact O-CA 3.34Å; N442-E445 WeakPolarHBondContact O-CB 3.49Å; N442-E445 PolarHBondContact O-N 2.79Å
443G34.8Very low32.2Very low17 Ų1781.9 Ų81.918%0.17545%0.446CS..THydrogen-bonded Turntrans-74.2-4.3-168.400000116.1V439 W440 E445V439-G443 WeakPolarHBondContact O-CA 3.32Å; V439-G443 PolarHBondContact O-N 3.25Å; W440-G443 WeakPolarHBondContact O-CA 3.43Å; W440-G443 PolarHBondContact O-N 2.87Å; G443-E445 PolarHBondContact O-N 3.38Å
444D39.9Very low31.8Very low30 Ų3085.9 Ų85.916%0.1646%0.463CS..THydrogen-bonded Turntrans-67.2-17.7160.9-68.6-67.4000111.9F183 R343 N442F183-D444 WeakPolarHBondContact CB-OD1 3.44Å; F183-D444 HydrophobicContact CD2-CB 4.03Å; F183-D444 VanDerWaalsContact CD2-OD1 3.31Å; F183-D444 WeakPolarHBondContact CD2-OD1 3.37Å; F183-D444 WeakPolarHBondContact CE2-O 3.49Å; F183-D444 PolarHBondContact N-OD1 3.17Å; R343-D444 IonicContact CZ-OD1 2.8Å; R343-D444 IonicContact CZ-OD2 2.69Å; R343-D444 IonicContact NE-OD2 2.74Å; R343-D444 PolarHBondContact NE-OD2 3.06Å; R343-D444 VanDerWaalsContact NE-OD2 3.1Å; R343-D444 IonicContact NH2-OD1 3.7Å; R343-D444 PolarHBondContact NH2-OD1 3.33Å; R343-D444 IonicContact NH2-OD2 3.93Å; R343-D444 PolarHBondContact NH2-OD2 3.3Å; N442-D444 PolarHBondContact O-N 3.05Å
445E37.1Very low31.5Very low68 Ų6884 Ų8432%0.31847%0.472SS..SBendtrans-99.6133.6169.5-57.2-164.1-14100111.2S93 A94 N442 G443 K447S93-E445 WeakPolarHBondContact CB-OE2 3.1Å; S93-E445 PolarHBondContact OG-OE2 3.01Å; A94-E445 WeakPolarHBondContact CA-OE2 3.4Å; A94-E445 WeakPolarHBondContact CB-OE2 3.14Å; A94-E445 PolarHBondContact N-OE2 3.26Å; N442-E445 WeakPolarHBondContact O-CA 3.34Å; N442-E445 WeakPolarHBondContact O-CB 3.49Å; N442-E445 PolarHBondContact O-N 2.79Å; G443-E445 PolarHBondContact O-N 3.38Å; E445-K447 PolarHBondContact O-N 3.12Å
446G28.6Very low31.1Very low32 Ų3282.8 Ų82.833%0.3349%0.486SS..PPolyproline II helixtrans-66.8129.4-160.800000116.2
447K31.4Very low30.6Very low72 Ų7287.3 Ų87.331%0.31351%0.508SS..PPolyproline II helixtrans-68.9153175.4-57.1-134-177.7-1730114.7E189 V439 E445E189-K447 VanDerWaalsContact CD-CE 3.47Å; E189-K447 VanDerWaalsContact OE1-CD 3.29Å; E189-K447 WeakPolarHBondContact OE1-CD 3.28Å; E189-K447 WeakPolarHBondContact OE1-CE 3.25Å; E189-K447 IonicContact OE1-NZ 2.71Å; E189-K447 PolarHBondContact OE1-NZ 3.45Å; E189-K447 WeakPolarHBondContact OE2-CE 3.44Å; E189-K447 IonicContact OE2-NZ 3.21Å; E189-K447 PolarHBondContact OE2-NZ 3.26Å; V439-K447 HydrophobicContact CB-CD 4.06Å; V439-K447 HydrophobicContact CG1-CB 4.31Å; V439-K447 HydrophobicContact CG1-CD 3.48Å; V439-K447 VanDerWaalsContact CG1-CD 3.48Å; V439-K447 HydrophobicContact CG1-CG 3.6Å; V439-K447 VanDerWaalsContact O-CE 3.27Å; V439-K447 WeakPolarHBondContact O-CE 3.46Å; E445-K447 PolarHBondContact O-N 3.12Å
448G25.1Very low30Very low66 Ų6693 Ų9368%0.6855%0.545SS*.  trans-134125.3157.700000111.1
449C23.6Very low29.6Very low117 Ų11795 Ų9579%0.79156%0.557SS**  trans-72.9154.4-166.4-175.40000115.2R109R109-C449 PolarHBondContact NH2-O 3.02Å
450L23.8Very low29Very low112 Ų112102.1 Ų102.159%0.58659%0.587SS**  trans-115.8124.5168.718068.9000110.7
451L23.9Very low28.2Very low154 Ų154107.7 Ų107.781%0.80662%0.622SS**PPolyproline II helixtrans-78.4137.7171.5-82.3152.5000111.1
452K24.7Very low27.7Very low172 Ų172113.1 Ų113.175%0.74866%0.656SS**PPolyproline II helixtrans-83.3138169-66.4178.1-177.9174.80110.2
453T21.9Very low27Very low145 Ų145119.1 Ų119.189%0.8968%0.682SS**PPolyproline II helixtrans-99.4151.6167-26.90000110.6
454K25.7Very low26.6Very low213 Ų213128.5 Ų128.593%0.92672%0.718SS**PPolyproline II helixtrans-72154.1-174.1-63.5175.8174.7179.30113.7
455G24.4Very low25.8Very low80 Ų80131 Ų13183%0.82575%0.751SS**  trans167.8128.2155.600000115.1
456G24.3Very low25.3Very low84 Ų84131.2 Ų131.287%0.86677%0.772SS**  trans104109.8160.900000116.8
457I25.3Very low25.1Very low160 Ų160139.2 Ų139.282%0.82180%0.8SS**  trans-110.9130.5165-65.2167.5000107.9
458T25Very low24.9Very low144 Ų144142.1 Ų142.188%0.88383%0.825SS**  trans-144.2144.2147.927.80000109.1
459K27.7Very low25.1Very low190 Ų190145.2 Ų145.283%0.82682%0.821SS**  trans-97.5151.1179.3-61.3173.5176.5177.90109.5
460E23.2Very low25.3Very low196 Ų196149.1 Ų149.192%0.91683%0.825SS**  trans-164.5153.9134.6-111.8162.7-159.600110.8
461V23.6Very low25.5Very low129 Ų129152 Ų15278%0.78284%0.835SS**  trans-147.6159.8-170-1630000109.4
462V25.6Very low25.5Very low132 Ų132151.2 Ų151.280%0.884%0.837SS**  trans71.4135.9171.2-125.90000112.8
463Q26.3Very low26.2Very low189 Ų189148.6 Ų148.688%0.88385%0.847SS**  cis-136.2159.631.9-83.8174.5-2400117.2
464K27.9Very low26.9Very low213 Ų213149.9 Ų149.993%0.92684%0.843SS**  trans-79.3152.8166.4-73.8-179.5171.9-177.50111.6
465G23.5Very low28Very low82 Ų82148.5 Ų148.585%0.84584%0.838SS**  trans-161.3132.4154.100000108.6
466G24.9Very low29.5Very low74 Ų74151.9 Ų151.976%0.76383%0.83SS**  trans-143.9161-179.900000110.8
467E25.7Very low31.1Very low199 Ų199151.2 Ų151.293%0.9381%0.806SS**  trans-159.1157.1176.5-121.4167.3-145.900113.5
468T26Very low32.7Very low134 Ų134146 Ų14682%0.82278%0.783SS**  trans-110.6168.4-172.90.50000110.8
469E29.7Very low34.3Very low131 Ų131141 Ų14161%0.61276%0.757SS**  cis-154.9171.60.1-159.9-144.4-62.400107.7Q471E469-Q471 PolarHBondContact OE2-N 2.92Å
470K27.8Very low35.7Very low198 Ų198134.6 Ų134.686%0.86173%0.734SS**  176.5134.8119.9-96.9168.8-176179.90114.5
471Q27.7Very low37.6Very low173 Ų173129.4 Ų129.481%0.80871%0.706SS**  trans-89.6144175.1-59.6177.56.500113.2E469E469-Q471 PolarHBondContact OE2-N 2.92Å
472T25.3Very low39.6Very low137 Ų137129 Ų12984%0.8470%0.695SS**  trans-124.9135.7152.935.60000108.6E474T472-E474 PolarHBondContact O-N 2.92Å
473A38.4Very low41.2Very low117 Ų117127.8 Ų127.897%0.96768%0.684SS**  trans-71.296.4-171.500000112
474E37.8Very low43Very low173 Ų173119.7 Ų119.781%0.80865%0.647SS**  trans-92143.4175.3-162.3170.8-146.800110.4T472 K476T472-E474 PolarHBondContact O-N 2.92Å; E474-K476 PolarHBondContact O-N 3.03Å
475F46.9Very low44.6Very low183 Ų183111.6 Ų111.680%0.80361%0.614SS**  trans-64.9102.2-177.1-159.1-88000109.9L477 V480F475-L477 PolarHBondContact O-N 3.43Å; F475-V480 HydrophobicContact CE1-CG2 4.42Å
476K57.2Low46.6Very low152 Ų152115.3 Ų115.366%0.66160%0.603SS**  trans-68.3104.5-166.8-73.7-170.5178.8-178.20112.3E474 S478 A479E474-K476 PolarHBondContact O-N 3.03Å; K476-S478 PolarHBondContact O-N 3.4Å; K476-S478 VanDerWaalsContact O-N 3.09Å; K476-A479 PolarHBondContact O-N 3.02Å; K476-A479 VanDerWaalsContact O-N 3.1Å
477L58.2Low47.8Very low70 Ų70115.5 Ų115.537%0.36659%0.586SS.*Hα-helixtrans-58.7-16.4168.6-68172.4000113.3F475 R481 Q515F475-L477 PolarHBondContact O-N 3.43Å; L477-R481 PolarHBondContact O-N 3.21Å; L477-R481 VanDerWaalsContact O-N 3.1Å; L477-Q515 HydrophobicContact CB-CG 4.06Å; L477-Q515 HydrophobicContact CD1-CG 3.98Å; L477-Q515 PolarHBondContact O-NE2 3.08Å
478S58.3Low49.8Very low49 Ų49106.2 Ų106.234%0.34354%0.543SS..Hα-helixtrans-66.8-45.6171.867.20000111.8K476 V480 R481 E482K476-S478 PolarHBondContact O-N 3.4Å; K476-S478 VanDerWaalsContact O-N 3.09Å; S478-V480 PolarHBondContact O-N 3.22Å; S478-R481 CarbonylContact O-C 3.52Å; S478-R481 WeakPolarHBondContact O-CA 3.35Å; S478-R481 WeakPolarHBondContact O-CB 3.28Å; S478-R481 PolarHBondContact O-N 3.2Å; S478-E482 WeakPolarHBondContact O-CG 3.45Å; S478-E482 PolarHBondContact O-N 3.14Å
479A57.6Low51.7Low41 Ų41105.3 Ų105.334%0.33953%0.534SS..Hα-helixtrans-64.4-31.5177.400000111.9K476 N483K476-A479 PolarHBondContact O-N 3.02Å; K476-A479 VanDerWaalsContact O-N 3.1Å; A479-N483 PolarHBondContact O-N 3.4Å; A479-N483 PolarHBondContact O-ND2 3.27Å
480V57.2Low52.8Low55 Ų55103.6 Ų103.633%0.33352%0.524SS..Hα-helixtrans-68.6-39.5172.3-174.70000111F475 S478 L484 I511F475-V480 HydrophobicContact CE1-CG2 4.42Å; S478-V480 PolarHBondContact O-N 3.22Å; V480-L484 WeakPolarHBondContact O-CB 3.21Å; V480-L484 PolarHBondContact O-N 3.37Å; V480-L484 VanDerWaalsContact O-N 3.1Å; V480-I511 HydrophobicContact CG1-CD1 3.84Å
481R64.9Low54.5Low87 Ų8794.5 Ų94.533%0.32849%0.485SS..Hα-helixtrans-64.6-48.2175.2175.7179172.4-179.1-1.8111.9L477 S478 N483 L484 D485 I511L477-R481 PolarHBondContact O-N 3.21Å; L477-R481 VanDerWaalsContact O-N 3.1Å; S478-R481 CarbonylContact O-C 3.52Å; S478-R481 WeakPolarHBondContact O-CA 3.35Å; S478-R481 WeakPolarHBondContact O-CB 3.28Å; S478-R481 PolarHBondContact O-N 3.2Å; R481-N483 VanDerWaalsContact C-N 3.3Å; R481-N483 PolarHBondContact O-N 3Å; R481-L484 CarbonylContact O-C 3.59Å; R481-L484 WeakPolarHBondContact O-CA 3.34Å; R481-L484 WeakPolarHBondContact O-CB 3.48Å; R481-L484 PolarHBondContact O-N 3.08Å; R481-D485 WeakPolarHBondContact CG-OD2 3.25Å; R481-D485 IonicContact NE-OD2 3.1Å; R481-D485 VanDerWaalsContact O-CG 3.23Å; R481-D485 PolarHBondContact O-N 3.26Å; R481-I511 HydrophobicContact CB-CG2 4.44Å
482E63.8Low56.2Low121 Ų12190.4 Ų90.457%0.56547%0.469SS*.Hα-helixtrans-55.4-43.3178.4-70153.4-142.500111.9S478 Y486S478-E482 WeakPolarHBondContact O-CG 3.45Å; S478-E482 PolarHBondContact O-N 3.14Å; E482-Y486 PolarHBondContact O-N 3.13Å; E482-Y486 VanDerWaalsContact O-N 3.14Å
483N60.7Low58.1Low106 Ų10687.6 Ų87.657%0.56746%0.46SS*.Hα-helixtrans-68.5-32.1174.2-76.2-72.8000113.1A479 R481 L487A479-N483 PolarHBondContact O-N 3.4Å; A479-N483 PolarHBondContact O-ND2 3.27Å; R481-N483 VanDerWaalsContact C-N 3.3Å; R481-N483 PolarHBondContact O-N 3Å; N483-L487 VanDerWaalsContact O-CG 3.28Å; N483-L487 WeakPolarHBondContact O-CG 3.47Å; N483-L487 PolarHBondContact O-N 3.46Å; N483-L487 VanDerWaalsContact O-N 3.14Å
484L63.8Low58.7Low18 Ų1883.5 Ų83.59%0.09442%0.423CS..Hα-helixtrans-72.7-38.4177.3-138.589.9000112.2V480 R481 L487 L488 L504 M507 Q508 I511V480-L484 WeakPolarHBondContact O-CB 3.21Å; V480-L484 PolarHBondContact O-N 3.37Å; V480-L484 VanDerWaalsContact O-N 3.1Å; R481-L484 CarbonylContact O-C 3.59Å; R481-L484 WeakPolarHBondContact O-CA 3.34Å; R481-L484 WeakPolarHBondContact O-CB 3.48Å; R481-L484 PolarHBondContact O-N 3.08Å; L484-L487 PolarHBondContact O-N 3.46Å; L484-L488 WeakPolarHBondContact O-CG 3.5Å; L484-L488 PolarHBondContact O-N 3.46Å; L484-L504 HydrophobicContact CD1-CD2 4.47Å; L484-L504 WeakPolarHBondContact CD2-O 3.31Å; L484-L504 HydrophobicContact CG-CD2 4.43Å; L484-M507 HydrophobicContact CD2-CB 3.84Å; L484-Q508 HydrophobicContact CD2-CB 3.84Å; L484-Q508 HydrophobicContact CD2-CG 4.48Å; L484-Q508 VanDerWaalsContact CD2-N 3.34Å; L484-I511 HydrophobicContact CD2-CD1 4.34Å
485D61.8Low59.8Low44 Ų4480.1 Ų80.124%0.23542%0.416CS..Hα-helixtrans-67-43178.7-64.8-13000109.3R481 L487 L488 D489 Q508R481-D485 WeakPolarHBondContact CG-OD2 3.25Å; R481-D485 IonicContact NE-OD2 3.1Å; R481-D485 VanDerWaalsContact O-CG 3.23Å; R481-D485 PolarHBondContact O-N 3.26Å; D485-L487 PolarHBondContact O-N 2.82Å; D485-L488 WeakPolarHBondContact O-CB 3.36Å; D485-L488 PolarHBondContact O-N 3.37Å; D485-D489 PolarHBondContact O-N 3.26Å; D485-Q508 PolarHBondContact OD1-NE2 3.26Å
486Y64.3Low60.2Low159 Ų15978.2 Ų78.262%0.62441%0.41SS*.Hα-helixtrans-58.9-41.1170179.5-97.7000113.3E482 F490E482-Y486 PolarHBondContact O-N 3.13Å; E482-Y486 VanDerWaalsContact O-N 3.14Å; Y486-F490 WeakPolarHBondContact O-CB 3.48Å; Y486-F490 PolarHBondContact O-N 3.42Å
487L51Low59.5Low78 Ų7874.9 Ų74.941%0.40840%0.395SS..Hα-helixtrans-68.6-33.1176.5-75.8168.8000112.6N483 L484 D485 V491 L504N483-L487 VanDerWaalsContact O-CG 3.28Å; N483-L487 WeakPolarHBondContact O-CG 3.47Å; N483-L487 PolarHBondContact O-N 3.46Å; N483-L487 VanDerWaalsContact O-N 3.14Å; L484-L487 PolarHBondContact O-N 3.46Å; D485-L487 PolarHBondContact O-N 2.82Å; L487-V491 WeakPolarHBondContact O-CB 3.3Å; L487-V491 WeakPolarHBondContact O-CG2 3.45Å; L487-V491 PolarHBondContact O-N 3.4Å; L487-L504 HydrophobicContact CB-CD1 4.33Å
488L67.1Low59.8Low5 Ų576.7 Ų76.73%0.02640%0.402CS..Hα-helixtrans-66.9-48173.7-80.9166.1000111.2L484 D485 F490 V491 D492 L504 K505 Q508L484-L488 WeakPolarHBondContact O-CG 3.5Å; L484-L488 PolarHBondContact O-N 3.46Å; D485-L488 WeakPolarHBondContact O-CB 3.36Å; D485-L488 PolarHBondContact O-N 3.37Å; L488-F490 VanDerWaalsContact C-N 3.31Å; L488-F490 PolarHBondContact O-N 3.39Å; L488-V491 PolarHBondContact O-N 2.79Å; L488-D492 PolarHBondContact O-N 2.99Å; L488-L504 HydrophobicContact CD2-CB 3.45Å; L488-L504 VanDerWaalsContact CD2-CB 3.45Å; L488-L504 HydrophobicContact CD2-CD1 4.32Å; L488-L504 HydrophobicContact CG-CB 3.89Å; L488-K505 HydrophobicContact CD2-CD 4.44Å; L488-K505 HydrophobicContact CD2-CG 4.04Å; L488-Q508 HydrophobicContact CD1-CB 4.43Å; L488-Q508 HydrophobicContact CD1-CG 4.44Å
489D65.8Low60Low115 Ų11583.3 Ų83.362%0.61542%0.419SS*.Hα-helixtrans-60.6-39.7175.9-74.5-15.4000111.9D485 D492 A493D485-D489 PolarHBondContact O-N 3.26Å; D489-D492 PolarHBondContact O-N 3.39Å; D489-A493 WeakPolarHBondContact O-CB 3.44Å; D489-A493 PolarHBondContact O-N 3.44Å
490F52.5Low59.4Low94 Ų9485.6 Ų85.641%0.41242%0.421SS..Hα-helixtrans-63.8-40.6174.8179-95.5000112.7Y486 L488 A493 T494 F497Y486-F490 WeakPolarHBondContact O-CB 3.48Å; Y486-F490 PolarHBondContact O-N 3.42Å; L488-F490 VanDerWaalsContact C-N 3.31Å; L488-F490 PolarHBondContact O-N 3.39Å; F490-A493 PolarHBondContact O-N 3.19Å; F490-T494 WeakPolarHBondContact O-CB 3.47Å; F490-T494 PolarHBondContact O-N 3.49Å; F490-T494 PolarHBondContact O-OG1 3.43Å; F490-F497 HydrophobicContact CE1-CD2 4.34Å
491V64.7Low59.7Low8 Ų885.5 Ų85.55%0.04842%0.417CS..Hα-helixtrans-71-37.4177.3166.60000111.9L487 L488 A493 T494 F497 H501 L504L487-V491 WeakPolarHBondContact O-CB 3.3Å; L487-V491 WeakPolarHBondContact O-CG2 3.45Å; L487-V491 PolarHBondContact O-N 3.4Å; L488-V491 PolarHBondContact O-N 2.79Å; V491-A493 VanDerWaalsContact C-N 3.28Å; V491-A493 PolarHBondContact O-N 2.89Å; V491-T494 PolarHBondContact O-N 3.08Å; V491-F497 HydrophobicContact CG1-CB 4.39Å; V491-F497 WeakPolarHBondContact CG1-O 3.06Å; V491-F497 HydrophobicContact CG2-CB 3.96Å; V491-H501 HydrophobicContact CG1-CB 3.84Å; V491-L504 HydrophobicContact CB-CD1 4.47Å; V491-L504 HydrophobicContact CG2-CD1 3.83Å
492D63.3Low59.4Low86 Ų8688 Ų8846%0.4643%0.431SS..Hα-helixtrans-67.8-29.9175-83.8-10.8000112.1L488 D489 H501L488-D492 PolarHBondContact O-N 2.99Å; D489-D492 PolarHBondContact O-N 3.39Å; D492-H501 IonicContact OD1-CD2 2.72Å; D492-H501 PolarHBondContact OD1-CD2 3.07Å; D492-H501 IonicContact OD1-CG 3.4Å; D492-H501 IonicContact OD1-NE2 3.43Å
493A64.9Low59.1Low79 Ų7985.3 Ų85.365%0.65342%0.423SS*.Hα-helixtrans-79.5-16.1173.700000114.6D489 F490 V491D489-A493 WeakPolarHBondContact O-CB 3.44Å; D489-A493 PolarHBondContact O-N 3.44Å; F490-A493 PolarHBondContact O-N 3.19Å; V491-A493 VanDerWaalsContact C-N 3.28Å; V491-A493 PolarHBondContact O-N 2.89Å
494T50.6Low58.8Low30 Ų3081.4 Ų81.418%0.18440%0.402CS..  trans-126.5100.9-167.9-42.30000112.5F490 V491 E496 F497F490-T494 WeakPolarHBondContact O-CB 3.47Å; F490-T494 PolarHBondContact O-N 3.49Å; F490-T494 PolarHBondContact O-OG1 3.43Å; V491-T494 PolarHBondContact O-N 3.08Å; T494-E496 VanDerWaalsContact C-N 3.31Å; T494-E496 WeakPolarHBondContact CG2-OE2 3.37Å; T494-E496 PolarHBondContact O-N 3.46Å; T494-E496 VanDerWaalsContact O-N 3.12Å; T494-F497 HydrophobicContact CG2-CD2 3.62Å; T494-F497 HydrophobicContact CG2-CE2 3.98Å; T494-F497 PolarHBondContact O-N 3.39Å
495P60.7Low58.9Low103 Ų10384 Ų8467%0.66941%0.412SS*.G310 helixtrans-55.8-33.1-170.7-29.436.3000116.1F497 Q498P495-F497 PolarHBondContact O-N 3.07Å; P495-Q498 PolarHBondContact O-N 2.93Å
496E55.7Low59Low143 Ų14386.6 Ų86.667%0.66842%0.423SS*.G310 helixtrans-65.6-19.6-179.7-59.989.4-161.700113.6T494T494-E496 VanDerWaalsContact C-N 3.31Å; T494-E496 WeakPolarHBondContact CG2-OE2 3.37Å; T494-E496 PolarHBondContact O-N 3.46Å; T494-E496 VanDerWaalsContact O-N 3.12Å
497F41.9Very low58.7Low82 Ų8283.9 Ų83.936%0.3642%0.417SS..G310 helixtrans-104.4-3.6-175.5-61.2-80.1000114.3F490 V491 T494 P495 R499 F500F490-F497 HydrophobicContact CE1-CD2 4.34Å; V491-F497 HydrophobicContact CG1-CB 4.39Å; V491-F497 WeakPolarHBondContact CG1-O 3.06Å; V491-F497 HydrophobicContact CG2-CB 3.96Å; T494-F497 HydrophobicContact CG2-CD2 3.62Å; T494-F497 HydrophobicContact CG2-CE2 3.98Å; T494-F497 PolarHBondContact O-N 3.39Å; P495-F497 PolarHBondContact O-N 3.07Å; F497-R499 PolarHBondContact O-N 3.35Å; F497-F500 HydrophobicContact CB-CD2 4.21Å; F497-F500 HydrophobicContact CD1-CD2 4.04Å; F497-F500 AromaticContact CD1-CE2 3.94Å; F497-F500 HydrophobicContact CD1-CE2 3.94Å; F497-F500 WeakPolarHBondContact O-CB 3.34Å; F497-F500 WeakPolarHBondContact O-CD2 3.12Å; F497-F500 PolarHBondContact O-N 3.33Å
498Q65.6Low59.4Low107 Ų10782.3 Ų82.350%0.541%0.408SS..G310 helixtrans-46.5-33.6178.8-86.1-103.1-40.900114.1P495 F500 H501P495-Q498 PolarHBondContact O-N 2.93Å; Q498-F500 PolarHBondContact O-N 2.9Å; Q498-H501 VanDerWaalsContact O-CB 3.27Å; Q498-H501 WeakPolarHBondContact O-CB 3.23Å; Q498-H501 PolarHBondContact O-N 3.32Å
499R61.2Low59.1Low188 Ų18887.2 Ų87.271%0.70943%0.43SS*.G310 helixtrans-56.1-22.3175.667.1-179178.6-171.7-4.7114.7F497F497-R499 PolarHBondContact O-N 3.35Å
500F45.8Very low58.9Low89 Ų8985.5 Ų85.539%0.3942%0.419SS..G310 helixtrans-92.4-12.6178.6-59-66.4000113.6F497 Q498 F502 T503 L504F497-F500 HydrophobicContact CB-CD2 4.21Å; F497-F500 HydrophobicContact CD1-CD2 4.04Å; F497-F500 AromaticContact CD1-CE2 3.94Å; F497-F500 HydrophobicContact CD1-CE2 3.94Å; F497-F500 WeakPolarHBondContact O-CB 3.34Å; F497-F500 WeakPolarHBondContact O-CD2 3.12Å; F497-F500 PolarHBondContact O-N 3.33Å; Q498-F500 PolarHBondContact O-N 2.9Å; F500-F502 VanDerWaalsContact C-N 3.28Å; F500-F502 PolarHBondContact O-N 2.98Å; F500-T503 PolarHBondContact O-N 3.35Å; F500-L504 HydrophobicContact CB-CD1 4.48Å; F500-L504 WeakPolarHBondContact O-CG 3.28Å; F500-L504 PolarHBondContact O-N 3.35Å
501H64.5Low59.3Low53 Ų5382.1 Ų82.125%0.24541%0.405CS..Hα-helixtrans-56.9-40.7-178.2172.9-92.8000112.1V491 D492 Q498 L504 K505V491-H501 HydrophobicContact CG1-CB 3.84Å; D492-H501 IonicContact OD1-CD2 2.72Å; D492-H501 PolarHBondContact OD1-CD2 3.07Å; D492-H501 IonicContact OD1-CG 3.4Å; D492-H501 IonicContact OD1-NE2 3.43Å; Q498-H501 VanDerWaalsContact O-CB 3.27Å; Q498-H501 WeakPolarHBondContact O-CB 3.23Å; Q498-H501 PolarHBondContact O-N 3.32Å; H501-L504 PolarHBondContact O-N 3.43Å; H501-K505 WeakPolarHBondContact NE2-CE 3.45Å; H501-K505 WeakPolarHBondContact O-CB 3.32Å; H501-K505 VanDerWaalsContact O-CG 3.25Å; H501-K505 WeakPolarHBondContact O-CG 3.39Å; H501-K505 PolarHBondContact O-N 2.92Å
502F58.6Low59Low141 Ų14185 Ų8562%0.61842%0.422SS*.Hα-helixtrans-61.2-51.1177.3-174.6-93.2000112F500 L504 K505 E506F500-F502 VanDerWaalsContact C-N 3.28Å; F500-F502 PolarHBondContact O-N 2.98Å; F502-L504 PolarHBondContact O-N 2.88Å; F502-K505 WeakPolarHBondContact O-CB 3.48Å; F502-K505 PolarHBondContact O-N 3.47Å; F502-E506 HydrophobicContact CD1-CG 4.32Å; F502-E506 HydrophobicContact CE1-CG 3.96Å; F502-E506 WeakPolarHBondContact CE1-OE1 3.37Å; F502-E506 VanDerWaalsContact CE1-OE2 3.29Å; F502-E506 WeakPolarHBondContact CE1-OE2 3.22Å; F502-E506 HydrophobicContact CZ-CG 4.31Å; F502-E506 PolarHBondContact O-N 3.11Å
503T55.6Low59Low63 Ų6385.9 Ų85.939%0.38742%0.422SS..Hα-helixtrans-64.1-38.6180-50.80000112.4F500 E506 M507F500-T503 PolarHBondContact O-N 3.35Å; T503-E506 PolarHBondContact O-N 3.1Å; T503-M507 HydrophobicContact CG2-CE 4.23Å; T503-M507 WeakPolarHBondContact O-CG 3.41Å; T503-M507 PolarHBondContact O-N 2.67Å
504L54.8Low58.7Low24 Ų2487.9 Ų87.913%0.12642%0.416CS..Hα-helixtrans-66.7-39.2175.3-69.8171.7000111.7L484 L487 L488 V491 F500 H501 F502 M507 Q508L484-L504 HydrophobicContact CD1-CD2 4.47Å; L484-L504 WeakPolarHBondContact CD2-O 3.31Å; L484-L504 HydrophobicContact CG-CD2 4.43Å; L487-L504 HydrophobicContact CB-CD1 4.33Å; L488-L504 HydrophobicContact CD2-CB 3.45Å; L488-L504 VanDerWaalsContact CD2-CB 3.45Å; L488-L504 HydrophobicContact CD2-CD1 4.32Å; L488-L504 HydrophobicContact CG-CB 3.89Å; V491-L504 HydrophobicContact CB-CD1 4.47Å; V491-L504 HydrophobicContact CG2-CD1 3.83Å; F500-L504 HydrophobicContact CB-CD1 4.48Å; F500-L504 WeakPolarHBondContact O-CG 3.28Å; F500-L504 PolarHBondContact O-N 3.35Å; H501-L504 PolarHBondContact O-N 3.43Å; F502-L504 PolarHBondContact O-N 2.88Å; L504-M507 PolarHBondContact O-N 2.78Å; L504-Q508 WeakPolarHBondContact O-CB 3.38Å; L504-Q508 PolarHBondContact O-N 3.43Å
505K66.3Low58.9Low74 Ų7488.5 Ų88.532%0.32242%0.417SS..Hα-helixtrans-62.9-40.3172.4-75.3-80.3179.1-172.40112.5L488 H501 F502 Q508 Q509L488-K505 HydrophobicContact CD2-CD 4.44Å; L488-K505 HydrophobicContact CD2-CG 4.04Å; H501-K505 WeakPolarHBondContact NE2-CE 3.45Å; H501-K505 WeakPolarHBondContact O-CB 3.32Å; H501-K505 VanDerWaalsContact O-CG 3.25Å; H501-K505 WeakPolarHBondContact O-CG 3.39Å; H501-K505 PolarHBondContact O-N 2.92Å; F502-K505 WeakPolarHBondContact O-CB 3.48Å; F502-K505 PolarHBondContact O-N 3.47Å; K505-Q508 WeakPolarHBondContact O-CB 3.25Å; K505-Q508 PolarHBondContact O-N 2.83Å; K505-Q509 WeakPolarHBondContact O-CG 3.19Å; K505-Q509 PolarHBondContact O-N 3.33Å
506E64.9Low58.3Low98 Ų9888.7 Ų88.746%0.45841%0.407SS..Hα-helixtrans-64.5-43.7174.6-72.6-173.512500111.8F502 T503 Q508 Q509 E510F502-E506 HydrophobicContact CD1-CG 4.32Å; F502-E506 HydrophobicContact CE1-CG 3.96Å; F502-E506 WeakPolarHBondContact CE1-OE1 3.37Å; F502-E506 VanDerWaalsContact CE1-OE2 3.29Å; F502-E506 WeakPolarHBondContact CE1-OE2 3.22Å; F502-E506 HydrophobicContact CZ-CG 4.31Å; F502-E506 PolarHBondContact O-N 3.11Å; T503-E506 PolarHBondContact O-N 3.1Å; E506-Q508 VanDerWaalsContact C-N 3.33Å; E506-Q508 PolarHBondContact O-N 3.48Å; E506-Q509 PolarHBondContact O-N 3.41Å; E506-E510 PolarHBondContact O-N 3.16Å
507M57.6Low57.9Low102 Ų10287.1 Ų87.150%0.50240%0.4SS..Hα-helixtrans-61.3-40.1174.6-74-176.7176.100112.1L484 T503 L504 E510 I511L484-M507 HydrophobicContact CD2-CB 3.84Å; T503-M507 HydrophobicContact CG2-CE 4.23Å; T503-M507 WeakPolarHBondContact O-CG 3.41Å; T503-M507 PolarHBondContact O-N 2.67Å; L504-M507 PolarHBondContact O-N 2.78Å; M507-E510 PolarHBondContact O-N 2.78Å; M507-I511 WeakPolarHBondContact O-CG1 3.21Å; M507-I511 PolarHBondContact O-N 3.4Å
508Q64.7Low58.3Low44 Ų4486.4 Ų86.421%0.20641%0.405CS..Hα-helixtrans-59.1-47.4174-161-171.837.300111L484 D485 L488 L504 K505 E506 I511 V512L484-Q508 HydrophobicContact CD2-CB 3.84Å; L484-Q508 HydrophobicContact CD2-CG 4.48Å; L484-Q508 VanDerWaalsContact CD2-N 3.34Å; D485-Q508 PolarHBondContact OD1-NE2 3.26Å; L488-Q508 HydrophobicContact CD1-CB 4.43Å; L488-Q508 HydrophobicContact CD1-CG 4.44Å; L504-Q508 WeakPolarHBondContact O-CB 3.38Å; L504-Q508 PolarHBondContact O-N 3.43Å; K505-Q508 WeakPolarHBondContact O-CB 3.25Å; K505-Q508 PolarHBondContact O-N 2.83Å; E506-Q508 VanDerWaalsContact C-N 3.33Å; E506-Q508 PolarHBondContact O-N 3.48Å; Q508-I511 PolarHBondContact O-N 2.86Å; Q508-V512 WeakPolarHBondContact O-CG2 3.17Å; Q508-V512 PolarHBondContact O-N 3.07Å
509Q62Low57.4Low108 Ų10888.4 Ų88.451%0.50541%0.412SS..Hα-helixtrans-64.6-41.3179.4-72.1170.924.200112.6K505 E506 V512 K513K505-Q509 WeakPolarHBondContact O-CG 3.19Å; K505-Q509 PolarHBondContact O-N 3.33Å; E506-Q509 PolarHBondContact O-N 3.41Å; Q509-V512 PolarHBondContact O-N 2.74Å; Q509-K513 VanDerWaalsContact O-CB 3.29Å; Q509-K513 WeakPolarHBondContact O-CB 3.48Å; Q509-K513 PolarHBondContact O-N 3.33Å
510E61.1Low56.4Low80 Ų8083.9 Ų83.937%0.37440%0.401SS..Hα-helixtrans-69.3-32.7175.6-84.4-64.7150.200113.1E506 M507 K513 K514E506-E510 PolarHBondContact O-N 3.16Å; M507-E510 PolarHBondContact O-N 2.78Å; E510-K513 PolarHBondContact O-N 3.03Å; E510-K513 WeakPolarHBondContact OE1-CD 3.45Å; E510-K513 WeakPolarHBondContact OE1-CE 3.39Å; E510-K513 IonicContact OE1-NZ 2.67Å; E510-K513 PolarHBondContact OE1-NZ 3.05Å; E510-K513 IonicContact OE2-NZ 3.14Å; E510-K514 WeakPolarHBondContact O-CB 3.29Å; E510-K514 WeakPolarHBondContact O-CG 3.42Å; E510-K514 PolarHBondContact O-N 2.78Å
511I61.8Low55.9Low22 Ų2289.4 Ų89.411%0.11342%0.419CS..Hα-helixtrans-64.5-46.9171.3-70.7167.9000110.4V480 R481 L484 M507 Q508 K513 K514 Q515V480-I511 HydrophobicContact CG1-CD1 3.84Å; R481-I511 HydrophobicContact CB-CG2 4.44Å; L484-I511 HydrophobicContact CD2-CD1 4.34Å; M507-I511 WeakPolarHBondContact O-CG1 3.21Å; M507-I511 PolarHBondContact O-N 3.4Å; Q508-I511 PolarHBondContact O-N 2.86Å; I511-K513 VanDerWaalsContact C-N 3.34Å; I511-K513 PolarHBondContact O-N 3.09Å; I511-K514 PolarHBondContact O-N 3.02Å; I511-Q515 HydrophobicContact CG2-CG 4.44Å; I511-Q515 WeakPolarHBondContact O-CG 3.45Å; I511-Q515 PolarHBondContact O-N 3.23Å
512V57.7Low54.7Low69 Ų6990.8 Ų90.842%0.41844%0.435SS..Hα-helixtrans-58.9-45.6176.2170.10000110.9Q508 Q509 K514 Q515 F516Q508-V512 WeakPolarHBondContact O-CG2 3.17Å; Q508-V512 PolarHBondContact O-N 3.07Å; Q509-V512 PolarHBondContact O-N 2.74Å; V512-K514 PolarHBondContact O-N 3.14Å; V512-Q515 PolarHBondContact O-N 2.98Å; V512-F516 WeakPolarHBondContact O-CB 3.27Å; V512-F516 PolarHBondContact O-N 3.26Å
513K63.2Low53.8Low104 Ų10493.4 Ų93.445%0.45244%0.441SS..Hα-helixtrans-61.9-40176.9-177.6175164.9-167.40112.8Q509 E510 I511 F516 Q517Q509-K513 VanDerWaalsContact O-CB 3.29Å; Q509-K513 WeakPolarHBondContact O-CB 3.48Å; Q509-K513 PolarHBondContact O-N 3.33Å; E510-K513 PolarHBondContact O-N 3.03Å; E510-K513 WeakPolarHBondContact OE1-CD 3.45Å; E510-K513 WeakPolarHBondContact OE1-CE 3.39Å; E510-K513 IonicContact OE1-NZ 2.67Å; E510-K513 PolarHBondContact OE1-NZ 3.05Å; E510-K513 IonicContact OE2-NZ 3.14Å; I511-K513 VanDerWaalsContact C-N 3.34Å; I511-K513 PolarHBondContact O-N 3.09Å; K513-F516 WeakPolarHBondContact O-CB 3.29Å; K513-F516 PolarHBondContact O-N 2.97Å; K513-Q517 WeakPolarHBondContact O-CG 3.38Å; K513-Q517 PolarHBondContact O-N 3.01Å
514K58.5Low52.9Low121 Ų12194.6 Ų94.653%0.52645%0.448SS..Hα-helixtrans-70.9-38.5175.4-74.9178.4-178.21790113E510 I511 V512 F516 Q517 S518E510-K514 WeakPolarHBondContact O-CB 3.29Å; E510-K514 WeakPolarHBondContact O-CG 3.42Å; E510-K514 PolarHBondContact O-N 2.78Å; I511-K514 PolarHBondContact O-N 3.02Å; V512-K514 PolarHBondContact O-N 3.14Å; K514-F516 VanDerWaalsContact C-N 3.31Å; K514-F516 PolarHBondContact O-N 2.76Å; K514-Q517 PolarHBondContact O-N 3.29Å; K514-S518 PolarHBondContact O-N 3.32Å
515Q55.1Low51.8Low43 Ų4396.2 Ų96.220%0.20147%0.47CS..Hα-helixtrans-63.1-38171.6-71.5-179.92.500111.7L477 I511 V512 S518 K519L477-Q515 HydrophobicContact CB-CG 4.06Å; L477-Q515 HydrophobicContact CD1-CG 3.98Å; L477-Q515 PolarHBondContact O-NE2 3.08Å; I511-Q515 HydrophobicContact CG2-CG 4.44Å; I511-Q515 WeakPolarHBondContact O-CG 3.45Å; I511-Q515 PolarHBondContact O-N 3.23Å; V512-Q515 PolarHBondContact O-N 2.98Å; Q515-S518 PolarHBondContact O-OG 3.49Å; Q515-K519 PolarHBondContact O-N 2.82Å
516F48.2Very low50.5Low107 Ų10796.9 Ų96.947%0.46948%0.484SS..Hα-helixtrans-64-45.5174.3-169.5-93.9000111.6V512 K513 K514 S518 K519 I520V512-F516 WeakPolarHBondContact O-CB 3.27Å; V512-F516 PolarHBondContact O-N 3.26Å; K513-F516 WeakPolarHBondContact O-CB 3.29Å; K513-F516 PolarHBondContact O-N 2.97Å; K514-F516 VanDerWaalsContact C-N 3.31Å; K514-F516 PolarHBondContact O-N 2.76Å; F516-S518 PolarHBondContact O-N 2.97Å; F516-K519 PolarHBondContact O-N 2.94Å; F516-I520 HydrophobicContact CD1-CD1 3.82Å; F516-I520 HydrophobicContact CE1-CD1 3.76Å; F516-I520 WeakPolarHBondContact O-CG1 3.37Å; F516-I520 PolarHBondContact O-N 3.1Å
517Q47.8Very low49.1Very low111 Ų111101 Ų10152%0.51950%0.501SS..Hα-helixtrans-64.8-36.5176.3-73.3178.7-1.400113.6K513 K514 I520 R521K513-Q517 WeakPolarHBondContact O-CG 3.38Å; K513-Q517 PolarHBondContact O-N 3.01Å; K514-Q517 PolarHBondContact O-N 3.29Å; Q517-I520 PolarHBondContact O-N 3.2Å; Q517-R521 PolarHBondContact O-N 3.26Å
518S48.3Very low47.9Very low67 Ų67103.4 Ų103.447%0.46952%0.515SS..Hα-helixtrans-67.1-40.1177.172.40000112.1K514 Q515 F516 I520 R521 S522K514-S518 PolarHBondContact O-N 3.32Å; Q515-S518 PolarHBondContact O-OG 3.49Å; F516-S518 PolarHBondContact O-N 2.97Å; S518-I520 PolarHBondContact O-N 3.45Å; S518-R521 PolarHBondContact O-N 3.46Å; S518-S522 PolarHBondContact O-N 2.89Å; S518-S522 VanDerWaalsContact O-N 3.08Å
519K47.3Very low46.3Very low149 Ų149110.2 Ų110.265%0.64854%0.544SS*.Hα-helixtrans-62.6-25.4173.8-77179.7175.7176.40113.7Q515 F516 S522Q515-K519 PolarHBondContact O-N 2.82Å; F516-K519 PolarHBondContact O-N 2.94Å; K519-S522 PolarHBondContact O-OG 2.93Å
520I40.3Very low44.9Very low92 Ų92111.1 Ų111.147%0.47256%0.559SS.*Hα-helixtrans-75.3-40.4173.9-67.1166.5000111.3F516 Q517 S518 T524F516-I520 HydrophobicContact CD1-CD1 3.82Å; F516-I520 HydrophobicContact CE1-CD1 3.76Å; F516-I520 WeakPolarHBondContact O-CG1 3.37Å; F516-I520 PolarHBondContact O-N 3.1Å; Q517-I520 PolarHBondContact O-N 3.2Å; S518-I520 PolarHBondContact O-N 3.45Å; I520-T524 PolarHBondContact O-N 2.81Å; I520-T524 PolarHBondContact O-OG1 3.3Å
521R34.9Very low43.5Very low206 Ų206118.5 Ų118.578%0.77758%0.584SS**Hα-helixtrans-68.6-37.9177.3-77.9-173.9172.4-177.6-1.6113Q517 S518 R523 T524 G525Q517-R521 PolarHBondContact O-N 3.26Å; S518-R521 PolarHBondContact O-N 3.46Å; R521-R523 PolarHBondContact O-N 3.29Å; R521-T524 WeakPolarHBondContact CA-OG1 3.38Å; R521-T524 PolarHBondContact O-N 3.11Å; R521-T524 PolarHBondContact O-OG1 2.98Å; R521-T524 VanDerWaalsContact O-OG1 3.09Å; R521-G525 PolarHBondContact O-N 3.34Å
522S39.9Very low42.1Very low81 Ų81123.3 Ų123.357%0.56662%0.617SS**Hα-helixtrans-66.9-35.6177.462.20000112.9S518 K519S518-S522 PolarHBondContact O-N 2.89Å; S518-S522 VanDerWaalsContact O-N 3.08Å; K519-S522 PolarHBondContact O-OG 2.93Å
523R38.8Very low40.9Very low197 Ų197128.7 Ų128.774%0.74364%0.637SS**Hα-helixtrans-71-32.2175.8-82.9-177.2163.9-174.2-4114.5R521 S526R521-R523 PolarHBondContact O-N 3.29Å; R523-S526 PolarHBondContact O-OG 3.07Å
524T37.8Very low39.3Very low88 Ų88131.5 Ų131.554%0.5466%0.657SS.*Hα-helixtrans-75.5-33.8177.238.20000112.2I520 R521 S526 F527I520-T524 PolarHBondContact O-N 2.81Å; I520-T524 PolarHBondContact O-OG1 3.3Å; R521-T524 WeakPolarHBondContact CA-OG1 3.38Å; R521-T524 PolarHBondContact O-N 3.11Å; R521-T524 PolarHBondContact O-OG1 2.98Å; R521-T524 VanDerWaalsContact O-OG1 3.09Å; T524-S526 VanDerWaalsContact C-N 3.27Å; T524-S526 PolarHBondContact O-N 2.71Å; T524-F527 PolarHBondContact O-N 2.86Å
525G32.1Very low38.1Very low58 Ų58132.2 Ų132.260%0.59867%0.665SS**Hα-helixtrans-60.7-29.4173.800000114.8R521 F527R521-G525 PolarHBondContact O-N 3.34Å; G525-F527 VanDerWaalsContact C-N 3.32Å; G525-F527 PolarHBondContact O-N 3.1Å
526S39.1Very low37Very low88 Ų88139.8 Ų139.862%0.61570%0.697SS**THydrogen-bonded Turntrans-75.1-12.6178.144.20000115.3R523 T524R523-S526 PolarHBondContact O-OG 3.07Å; T524-S526 VanDerWaalsContact C-N 3.27Å; T524-S526 PolarHBondContact O-N 2.71Å
527F34.6Very low36.3Very low184 Ų184141.7 Ų141.781%0.80771%0.712SS**THydrogen-bonded Turntrans-87.7-10-177.9-93.7-85.9000114.8T524 G525T524-F527 PolarHBondContact O-N 2.86Å; G525-F527 VanDerWaalsContact C-N 3.32Å; G525-F527 PolarHBondContact O-N 3.1Å
528L32.4Very low35.6Very low153 Ų153141.8 Ų141.880%0.80173%0.725SS**  trans-115.145-174.1-69.2174.8000113.7
529K32.1Very low34.7Very low186 Ų186148.8 Ų148.881%0.80975%0.747SS**  trans-104110.2159.4-83.2-170.3175.5-178.90110R531K529-R531 PolarHBondContact O-N 3.25Å
530P32.4Very low34Very low128 Ų128147.2 Ų147.283%0.83176%0.755SS**PPolyproline II helixtrans-64.3128.6173.1-15.528.8000110.1
531R30.5Very low33.7Very low234 Ų234146.3 Ų146.388%0.88377%0.769SS**PPolyproline II helixtrans-85.6141.9162.6-80.2-174174.1-175.6-1.3109.1K529K529-R531 PolarHBondContact O-N 3.25Å
532P33.5Very low33.8Very low124 Ų124142.3 Ų142.381%0.80577%0.769SS**PPolyproline II helixtrans-72.6138.1-176.229.2-33.9000111.6N534P532-N534 PolarHBondContact O-N 2.53Å
533H31.5Very low33.5Very low181 Ų181144.1 Ų144.184%0.83878%0.782SS**  trans-74.9115.2172.5-85.4-71.1000110.7I535H533-I535 PolarHBondContact O-N 3.19Å
534N30.7Very low33.3Very low164 Ų164141.1 Ų141.188%0.87779%0.786SS**  trans-81.9103.8162.2-94-21.4000109.2P532P532-N534 PolarHBondContact O-N 2.53Å
535I32.9Very low33.2Very low135 Ų135142.9 Ų142.969%0.69280%0.802SS**  trans-89.3121.7163.7-62.9174.9000107.1H533H533-I535 PolarHBondContact O-N 3.19Å
536K32.2Very low33.3Very low203 Ų203143.2 Ų143.288%0.88381%0.805SS**  trans-97.695167.7-82.5-171.9174.3-176.10108.5
537D32.6Very low33.1Very low147 Ų147144.2 Ų144.279%0.78681%0.812SS**  trans-93.7127.1160.7-79.8-43.5000109.7
538S32.7Very low33.2Very low113 Ų113141.9 Ų141.979%0.7981%0.808SS**  trans-95.9104.1176.1540000110.1
539F31.2Very low33.5Very low213 Ų213147 Ų14793%0.93483%0.827SS**  trans-133.8140.8160.9-101.8-84.6000110.9
540S32.4Very low33.6Very low116 Ų116145.1 Ų145.181%0.81183%0.828SS**  trans-108.1120.2-16152.20000113.6
541G34Very low33.6Very low73 Ų73145.9 Ų145.975%0.75383%0.828SS**  trans77.3170.1159.700000116.9
542P36.6Very low33.8Very low122 Ų122141.1 Ų141.179%0.79283%0.825SS**  cis-114.7159.16.738.9-28.3000114.6
543S32.7Very low33.8Very low119 Ų119142.1 Ų142.183%0.83283%0.826SS**  trans-87.8136.816739.90000111.5
544T35.8Very low33.9Very low135 Ų135139.6 Ų139.683%0.82883%0.826SS**  trans-125.1108.4175.736.80000112.3
545S35.8Very low34.2Very low124 Ų124138 Ų13887%0.86782%0.822SS**  trans-174.5131.5159.257.10000107.4
546G33.8Very low34.2Very low65 Ų65138.2 Ų138.267%0.6783%0.831SS**  cis157.9124.3-4.800000109.7
547S34.8Very low34.4Very low109 Ų109133.2 Ų133.276%0.76283%0.827SS**  trans60.5132176.576.10000116.2
548N35.6Very low34.6Very low136 Ų136132.1 Ų132.173%0.72783%0.831SS**  -168.2155.656.8-88.8-48.2000111.1
549H39.3Very low34.7Very low260 Ų260133.8 Ų133.8100%1.20484%0.835SS**  trans45.50158.7-71.3-61.8000120.6

Retrieved 549 of 549 residues in 203.2 ms (Link to these results)

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