A0A077ZN42_TRITR Loading...

FUR domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZN42, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 145 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
1M59.7Low86.2Confident187 Ų18774.1 Ų74.192%0.92138%0.376SS*.  0-74.90-61.9-152.8-67.400113.1N3 E4 A5M1-N3 PolarHBondContact O-N 3.45Å; M1-E4 WeakPolarHBondContact CA-OE2 3.3Å; M1-E4 PolarHBondContact N-OE2 2.96Å; M1-E4 PolarHBondContact O-N 3.08Å; M1-A5 PolarHBondContact O-N 3.1Å; M1-A5 VanDerWaalsContact O-N 3.16Å
2V69.8Low86.9Confident59 Ų5974.6 Ų74.636%0.35838%0.376SS..Hα-helixtrans-55.9-51.3-179.3173.40000111.6E4 A5 V6 I32V2-E4 VanDerWaalsContact C-N 3.28Å; V2-E4 PolarHBondContact O-N 2.95Å; V2-A5 PolarHBondContact O-N 3.09Å; V2-A5 VanDerWaalsContact O-N 3.14Å; V2-V6 HydrophobicContact CG1-CG2 4.28Å; V2-V6 WeakPolarHBondContact O-CG2 3.46Å; V2-V6 PolarHBondContact O-N 3.21Å; V2-I32 HydrophobicContact CG1-CG2 4.02Å
3N80.3Confident87.5Confident101 Ų10168.8 Ų68.854%0.5435%0.347SS..Hα-helixtrans-59.2-36.1179.4-67.4-10.2000113.4M1 V6 D7M1-N3 PolarHBondContact O-N 3.45Å; N3-V6 PolarHBondContact O-N 2.81Å; N3-D7 WeakPolarHBondContact O-CB 3.3Å; N3-D7 PolarHBondContact O-N 2.7Å
4E88.5Confident88.1Confident128 Ų12873.2 Ų73.260%0.59836%0.363SS*.Hα-helixtrans-68.5-39.2179.1-67.116214300111.6M1 V2 D7 Q8M1-E4 WeakPolarHBondContact CA-OE2 3.3Å; M1-E4 PolarHBondContact N-OE2 2.96Å; M1-E4 PolarHBondContact O-N 3.08Å; V2-E4 VanDerWaalsContact C-N 3.28Å; V2-E4 PolarHBondContact O-N 2.95Å; E4-D7 PolarHBondContact O-N 3.41Å; E4-Q8 WeakPolarHBondContact O-CB 3.28Å; E4-Q8 PolarHBondContact O-N 2.98Å
5A89.1Confident88.5Confident28 Ų2874.5 Ų74.523%0.23139%0.389CS..Hα-helixtrans-66.3-40.1174.800000111.4M1 V2 Q8 A9 I32M1-A5 PolarHBondContact O-N 3.1Å; M1-A5 VanDerWaalsContact O-N 3.16Å; V2-A5 PolarHBondContact O-N 3.09Å; V2-A5 VanDerWaalsContact O-N 3.14Å; A5-Q8 PolarHBondContact O-N 3.24Å; A5-A9 PolarHBondContact O-N 3.39Å; A5-I32 HydrophobicContact CB-CD1 4.39Å; A5-I32 HydrophobicContact CB-CG2 3.88Å
6V91.9Very high88.8Confident0 Ų072.4 Ų72.40%039%0.391CS..Hα-helixtrans-63.8-46.6175.2178.40000110.4V2 N3 Q8 A9 V10 Y25 E29 I32V2-V6 HydrophobicContact CG1-CG2 4.28Å; V2-V6 WeakPolarHBondContact O-CG2 3.46Å; V2-V6 PolarHBondContact O-N 3.21Å; N3-V6 PolarHBondContact O-N 2.81Å; V6-Q8 VanDerWaalsContact C-N 3.27Å; V6-Q8 PolarHBondContact O-N 2.73Å; V6-A9 PolarHBondContact O-N 2.85Å; V6-V10 HydrophobicContact CG1-CG2 4.39Å; V6-V10 WeakPolarHBondContact O-CB 3.44Å; V6-V10 VanDerWaalsContact O-CG2 3.31Å; V6-V10 WeakPolarHBondContact O-CG2 3.27Å; V6-V10 PolarHBondContact O-N 3.01Å; V6-Y25 HydrophobicContact CG1-CD2 4.07Å; V6-Y25 HydrophobicContact CG1-CE1 4.17Å; V6-Y25 HydrophobicContact CG1-CE2 3.48Å; V6-Y25 VanDerWaalsContact CG1-CE2 3.48Å; V6-E29 HydrophobicContact CG2-CB 4.45Å; V6-I32 HydrophobicContact CB-CD1 4.1Å; V6-I32 HydrophobicContact CG2-CB 4.38Å; V6-I32 HydrophobicContact CG2-CD1 3.5Å; V6-I32 VanDerWaalsContact CG2-CD1 3.5Å; V6-I32 HydrophobicContact CG2-CG2 4.35Å
7D93Very high89.2Confident78 Ų7872.2 Ų72.242%0.41741%0.411SS..Hα-helixtrans-60.3-38.6178.2-77-24.5000111.9N3 E4 V10 K11N3-D7 WeakPolarHBondContact O-CB 3.3Å; N3-D7 PolarHBondContact O-N 2.7Å; E4-D7 PolarHBondContact O-N 3.41Å; D7-V10 WeakPolarHBondContact O-CB 3.48Å; D7-V10 PolarHBondContact O-N 3.4Å; D7-K11 WeakPolarHBondContact O-CG 3.19Å; D7-K11 PolarHBondContact O-N 2.88Å; D7-K11 VanDerWaalsContact O-N 3.07Å
8Q92.7Very high89.5Confident89 Ų8968.6 Ų68.642%0.41639%0.39SS..Hα-helixtrans-67.7-47.2176.4-175.852.934.700111.5E4 A5 V6 V10 K11 E12E4-Q8 WeakPolarHBondContact O-CB 3.28Å; E4-Q8 PolarHBondContact O-N 2.98Å; A5-Q8 PolarHBondContact O-N 3.24Å; V6-Q8 VanDerWaalsContact C-N 3.27Å; V6-Q8 PolarHBondContact O-N 2.73Å; Q8-V10 VanDerWaalsContact C-N 3.26Å; Q8-V10 PolarHBondContact O-N 3.24Å; Q8-K11 WeakPolarHBondContact O-CB 3.35Å; Q8-K11 PolarHBondContact O-N 3.39Å; Q8-E12 WeakPolarHBondContact CG-OE1 3.45Å; Q8-E12 PolarHBondContact NE2-OE1 2.97Å; Q8-E12 PolarHBondContact O-N 3.13Å; Q8-E12 VanDerWaalsContact O-N 3.07Å
9A93.2Very high89.8Confident1 Ų175.5 Ų75.51%0.00841%0.409CS..Hα-helixtrans-58.2-40.217400000112.2A5 V6 K11 E12 L13 L28 I32 I71 F86A5-A9 PolarHBondContact O-N 3.39Å; V6-A9 PolarHBondContact O-N 2.85Å; A9-K11 VanDerWaalsContact C-N 3.32Å; A9-K11 PolarHBondContact O-N 3.33Å; A9-E12 PolarHBondContact O-N 3.36Å; A9-L13 WeakPolarHBondContact O-CB 3.31Å; A9-L13 WeakPolarHBondContact O-CG 3.45Å; A9-L13 PolarHBondContact O-N 3.43Å; A9-L28 HydrophobicContact CB-CD1 4.1Å; A9-L28 HydrophobicContact CB-CD2 4.21Å; A9-I32 HydrophobicContact CB-CD1 4.46Å; A9-I71 HydrophobicContact CB-CD1 4.4Å; A9-F86 HydrophobicContact CB-CE2 3.68Å; A9-F86 HydrophobicContact CB-CZ 3.76Å
10V95.1Very high90.1Very high14 Ų1473.8 Ų73.89%0.08540%0.399CS..Hα-helixtrans-60.7-39.8175.5155.90000111.8V6 D7 Q8 K14 I20 Y25 L28V6-V10 HydrophobicContact CG1-CG2 4.39Å; V6-V10 WeakPolarHBondContact O-CB 3.44Å; V6-V10 VanDerWaalsContact O-CG2 3.31Å; V6-V10 WeakPolarHBondContact O-CG2 3.27Å; V6-V10 PolarHBondContact O-N 3.01Å; D7-V10 WeakPolarHBondContact O-CB 3.48Å; D7-V10 PolarHBondContact O-N 3.4Å; Q8-V10 VanDerWaalsContact C-N 3.26Å; Q8-V10 PolarHBondContact O-N 3.24Å; V10-K14 HydrophobicContact CG1-CD 4.27Å; V10-K14 WeakPolarHBondContact O-CB 3.46Å; V10-K14 VanDerWaalsContact O-CG 3.28Å; V10-K14 WeakPolarHBondContact O-CG 3.25Å; V10-K14 PolarHBondContact O-N 2.97Å; V10-K14 VanDerWaalsContact O-N 3.08Å; V10-I20 HydrophobicContact CG1-CG1 4.13Å; V10-I20 HydrophobicContact CG2-CD1 4.37Å; V10-I20 HydrophobicContact CG2-CG1 4.49Å; V10-I20 HydrophobicContact CG2-CG2 4.4Å; V10-Y25 HydrophobicContact CG2-CD2 4.04Å; V10-Y25 HydrophobicContact CG2-CE2 4.31Å; V10-L28 HydrophobicContact CG2-CD1 4.22Å
11K95Very high90.4Very high130 Ų13072.3 Ų72.357%0.56539%0.393SS*.Hα-helixtrans-66.3-44175.8-72169.1-172.3170.40111.5D7 Q8 A9 K14 A15D7-K11 WeakPolarHBondContact O-CG 3.19Å; D7-K11 PolarHBondContact O-N 2.88Å; D7-K11 VanDerWaalsContact O-N 3.07Å; Q8-K11 WeakPolarHBondContact O-CB 3.35Å; Q8-K11 PolarHBondContact O-N 3.39Å; A9-K11 VanDerWaalsContact C-N 3.32Å; A9-K11 PolarHBondContact O-N 3.33Å; K11-K14 PolarHBondContact O-N 3.23Å; K11-A15 WeakPolarHBondContact O-CB 3.44Å; K11-A15 PolarHBondContact O-N 2.88Å
12E94.2Very high92.1Very high80 Ų8068 Ų6837%0.37438%0.379SS..Hα-helixtrans-63.2-44.4179.3-71.1171.6-135.700111.7Q8 A9 K14 A15 G16 I71Q8-E12 WeakPolarHBondContact CG-OE1 3.45Å; Q8-E12 PolarHBondContact NE2-OE1 2.97Å; Q8-E12 PolarHBondContact O-N 3.13Å; Q8-E12 VanDerWaalsContact O-N 3.07Å; A9-E12 PolarHBondContact O-N 3.36Å; E12-K14 PolarHBondContact O-N 3.28Å; E12-A15 PolarHBondContact O-N 3.1Å; E12-G16 PolarHBondContact O-N 3.32Å; E12-I71 HydrophobicContact CB-CG2 3.92Å; E12-I71 VanDerWaalsContact OE2-CG2 3.3Å; E12-I71 WeakPolarHBondContact OE2-CG2 3.43Å
13L94.5Very high93.4Very high0 Ų067.9 Ų67.90%037%0.374CS..Hα-helixtrans-58.8-44.9172.6-76.8-175.1000112.5A9 A15 G16 G17 V18 I20 L28 F66 I69 I71A9-L13 WeakPolarHBondContact O-CB 3.31Å; A9-L13 WeakPolarHBondContact O-CG 3.45Å; A9-L13 PolarHBondContact O-N 3.43Å; L13-A15 VanDerWaalsContact C-N 3.35Å; L13-G16 CarbonylContact O-C 3.57Å; L13-G16 PolarHBondContact O-N 3.35Å; L13-G17 PolarHBondContact O-N 2.92Å; L13-V18 HydrophobicContact CB-CB 4.12Å; L13-V18 HydrophobicContact CD2-CB 4.22Å; L13-V18 HydrophobicContact CD2-CG1 4.31Å; L13-V18 HydrophobicContact CD2-CG2 4.32Å; L13-V18 WeakPolarHBondContact O-CA 3.5Å; L13-V18 VanDerWaalsContact O-CB 3.3Å; L13-V18 WeakPolarHBondContact O-CB 3.29Å; L13-V18 PolarHBondContact O-N 3.4Å; L13-I20 HydrophobicContact CB-CD1 3.66Å; L13-I20 HydrophobicContact CD1-CD1 3.54Å; L13-I20 HydrophobicContact CG-CD1 4.28Å; L13-L28 HydrophobicContact CD1-CD1 3.6Å; L13-L28 HydrophobicContact CD1-CG 4.42Å; L13-F66 HydrophobicContact CD1-CD1 3.9Å; L13-F66 HydrophobicContact CD1-CE1 3.51Å; L13-F66 HydrophobicContact CD1-CZ 4.22Å; L13-F66 HydrophobicContact CD2-CD1 3.7Å; L13-F66 HydrophobicContact CD2-CE1 4.12Å; L13-F66 HydrophobicContact CG-CD1 4.45Å; L13-F66 HydrophobicContact CG-CE1 4.49Å; L13-I69 HydrophobicContact CD2-CB 4.11Å; L13-I69 HydrophobicContact CD2-CG1 3.97Å; L13-I69 HydrophobicContact CD2-CG2 4.07Å; L13-I71 HydrophobicContact CD1-CD1 4.09Å; L13-I71 HydrophobicContact CD2-CD1 3.65Å; L13-I71 HydrophobicContact CD2-CG1 4.23Å; L13-I71 HydrophobicContact CG-CD1 3.71Å
14K96.1Very high94.1Very high130 Ų13065.5 Ų65.557%0.56536%0.358SS*.Hα-helixtrans-62.9-42177.1-76.2173.5-179.7176.10111.7V10 K11 E12 G16 G17 I20V10-K14 HydrophobicContact CG1-CD 4.27Å; V10-K14 WeakPolarHBondContact O-CB 3.46Å; V10-K14 VanDerWaalsContact O-CG 3.28Å; V10-K14 WeakPolarHBondContact O-CG 3.25Å; V10-K14 PolarHBondContact O-N 2.97Å; V10-K14 VanDerWaalsContact O-N 3.08Å; K11-K14 PolarHBondContact O-N 3.23Å; E12-K14 PolarHBondContact O-N 3.28Å; K14-G16 VanDerWaalsContact C-N 3.26Å; K14-G16 PolarHBondContact O-N 2.98Å; K14-G17 PolarHBondContact O-N 2.9Å; K14-I20 HydrophobicContact CG-CG1 4.02Å
15A95Very high94.5Very high92 Ų9263 Ų6376%0.7634%0.344SS*.Hα-helixtrans-61.9-35.2177.200000111.9K11 E12 L13 G17K11-A15 WeakPolarHBondContact O-CB 3.44Å; K11-A15 PolarHBondContact O-N 2.88Å; E12-A15 PolarHBondContact O-N 3.1Å; L13-A15 VanDerWaalsContact C-N 3.35Å; A15-G17 VanDerWaalsContact C-N 3.25Å; A15-G17 PolarHBondContact O-N 3.28Å
16G93Very high94.8Very high41 Ų4161.9 Ų61.942%0.42333%0.334SS..THydrogen-bonded Turntrans-83.115.517200000115.3E12 L13 K14 V18E12-G16 PolarHBondContact O-N 3.32Å; L13-G16 CarbonylContact O-C 3.57Å; L13-G16 PolarHBondContact O-N 3.35Å; K14-G16 VanDerWaalsContact C-N 3.26Å; K14-G16 PolarHBondContact O-N 2.98Å; G16-V18 VanDerWaalsContact C-N 3.32Å; G16-V18 PolarHBondContact O-N 3.5Å
17G94.5Very high95.1Very high70 Ų7061.9 Ų61.972%0.72233%0.334SS*.THydrogen-bonded Turntrans76.512.7175.200000115.2L13 K14 A15L13-G17 PolarHBondContact O-N 2.92Å; K14-G17 PolarHBondContact O-N 2.9Å; A15-G17 VanDerWaalsContact C-N 3.25Å; A15-G17 PolarHBondContact O-N 3.28Å
18V95.5Very high95.2Very high6 Ų658.1 Ų58.14%0.03631%0.314CS..  trans-89.7112.8-179.8-1760000110.3L13 G16 I20 R24 K65 I69L13-V18 HydrophobicContact CB-CB 4.12Å; L13-V18 HydrophobicContact CD2-CB 4.22Å; L13-V18 HydrophobicContact CD2-CG1 4.31Å; L13-V18 HydrophobicContact CD2-CG2 4.32Å; L13-V18 WeakPolarHBondContact O-CA 3.5Å; L13-V18 VanDerWaalsContact O-CB 3.3Å; L13-V18 WeakPolarHBondContact O-CB 3.29Å; L13-V18 PolarHBondContact O-N 3.4Å; G16-V18 VanDerWaalsContact C-N 3.32Å; G16-V18 PolarHBondContact O-N 3.5Å; V18-I20 PolarHBondContact O-N 2.94Å; V18-R24 VanDerWaalsContact CG1-NH1 3.35Å; V18-K65 HydrophobicContact CG1-CG 4.21Å; V18-K65 HydrophobicContact CG2-CD 4.26Å; V18-K65 HydrophobicContact CG2-CG 3.94Å; V18-I69 HydrophobicContact CG2-CD1 3.65Å; V18-I69 HydrophobicContact CG2-CG1 3.8Å
19R95.8Very high95.3Very high200 Ų20055.9 Ų55.976%0.75530%0.304SS*.  trans-61.3131.4172.1-179.6177.4176.9175-0.2110.7R24R19-R24 VanDerWaalsContact O-CD 3.3Å; R19-R24 WeakPolarHBondContact O-CD 3.26Å; R19-R24 PolarHBondContact O-NH1 2.95Å
20I95.9Very high95.4Very high42 Ų4256.7 Ų56.722%0.21531%0.307CS..  trans-84123.4175.3-55.9-59000110.1V10 L13 K14 V18V10-I20 HydrophobicContact CG1-CG1 4.13Å; V10-I20 HydrophobicContact CG2-CD1 4.37Å; V10-I20 HydrophobicContact CG2-CG1 4.49Å; V10-I20 HydrophobicContact CG2-CG2 4.4Å; L13-I20 HydrophobicContact CB-CD1 3.66Å; L13-I20 HydrophobicContact CD1-CD1 3.54Å; L13-I20 HydrophobicContact CG-CD1 4.28Å; K14-I20 HydrophobicContact CG-CG1 4.02Å; V18-I20 PolarHBondContact O-N 2.94Å
21T95.9Very high95.4Very high43 Ų4356.1 Ų56.126%0.26430%0.303SS..  trans-111.6161173.967.50000109.4Q23 R24 Y25T21-Q23 PolarHBondContact O-N 3.08Å; T21-R24 PolarHBondContact O-N 3.48Å; T21-R24 VanDerWaalsContact O-N 3.12Å; T21-R24 PolarHBondContact OG1-N 2.78Å; T21-Y25 PolarHBondContact O-N 3.05Å
22P95.5Very high95.3Very high97 Ų9750 Ų5063%0.6328%0.277SS*.Hα-helixtrans-54.2-38.1175.2-29.237.3000113.6Y25 A26 F51P22-Y25 PolarHBondContact O-N 3.15Å; P22-A26 WeakPolarHBondContact O-CB 3.46Å; P22-A26 PolarHBondContact O-N 2.81Å; P22-F51 HydrophobicContact CB-CE1 3.79Å; P22-F51 HydrophobicContact CB-CZ 4.24Å
23Q95.9Very high95.2Very high55 Ų5551.3 Ų51.326%0.25728%0.283SS..Hα-helixtrans-65-46.8175.8-68.7171.4-11.200112T21 Y25 A26 I27 F51 M54T21-Q23 PolarHBondContact O-N 3.08Å; Q23-Y25 VanDerWaalsContact C-N 3.3Å; Q23-Y25 PolarHBondContact O-N 3.2Å; Q23-A26 PolarHBondContact O-N 3.27Å; Q23-I27 VanDerWaalsContact O-CG1 3.26Å; Q23-I27 WeakPolarHBondContact O-CG1 3.05Å; Q23-I27 PolarHBondContact O-N 3.26Å; Q23-F51 HydrophobicContact CG-CD1 3.78Å; Q23-F51 HydrophobicContact CG-CE1 4.15Å; Q23-F51 HydrophobicContact CG-CG 4.1Å; Q23-M54 HydrophobicContact CB-SD 4.27Å; Q23-M54 HydrophobicContact CG-SD 4.02Å
24R96.4Very high94.9Very high52 Ų5256.6 Ų56.620%0.19630%0.304CS..Hα-helixtrans-60.2-42.9177.4-78.3178176.5158-0.2111.6V18 R19 T21 I27 L28 N62 F66V18-R24 VanDerWaalsContact CG1-NH1 3.35Å; R19-R24 VanDerWaalsContact O-CD 3.3Å; R19-R24 WeakPolarHBondContact O-CD 3.26Å; R19-R24 PolarHBondContact O-NH1 2.95Å; T21-R24 PolarHBondContact O-N 3.48Å; T21-R24 VanDerWaalsContact O-N 3.12Å; T21-R24 PolarHBondContact OG1-N 2.78Å; R24-I27 PolarHBondContact O-N 3.12Å; R24-L28 WeakPolarHBondContact O-CG 3.45Å; R24-L28 PolarHBondContact O-N 2.92Å; R24-N62 HydrophobicContact CG-CB 4.45Å; R24-N62 WeakPolarHBondContact CG-OD1 3.46Å; R24-N62 PolarHBondContact NE-OD1 3.14Å; R24-F66 HydrophobicContact CB-CE1 4.27Å; R24-F66 HydrophobicContact CB-CZ 3.88Å; R24-F66 HydrophobicContact CG-CE1 4.01Å; R24-F66 HydrophobicContact CG-CZ 3.9Å
25Y96.2Very high94.4Very high75 Ų7557.7 Ų57.729%0.29430%0.304SS..Hα-helixtrans-60.8-48.1176.8-171.3-80.7000111.2V6 V10 T21 P22 Q23 I27 L28 E29V6-Y25 HydrophobicContact CG1-CD2 4.07Å; V6-Y25 HydrophobicContact CG1-CE1 4.17Å; V6-Y25 HydrophobicContact CG1-CE2 3.48Å; V6-Y25 VanDerWaalsContact CG1-CE2 3.48Å; V10-Y25 HydrophobicContact CG2-CD2 4.04Å; V10-Y25 HydrophobicContact CG2-CE2 4.31Å; T21-Y25 PolarHBondContact O-N 3.05Å; P22-Y25 PolarHBondContact O-N 3.15Å; Q23-Y25 VanDerWaalsContact C-N 3.3Å; Q23-Y25 PolarHBondContact O-N 3.2Å; Y25-I27 PolarHBondContact O-N 2.94Å; Y25-L28 PolarHBondContact O-N 3.37Å; Y25-E29 WeakPolarHBondContact O-CB 3.12Å; Y25-E29 PolarHBondContact O-N 3.49Å
26A96.1Very high94Very high4 Ų456.4 Ų56.43%0.03328%0.284CS..Hα-helixtrans-64.6-36179.400000113.5P22 Q23 Y30 L47 F51P22-A26 WeakPolarHBondContact O-CB 3.46Å; P22-A26 PolarHBondContact O-N 2.81Å; Q23-A26 PolarHBondContact O-N 3.27Å; A26-Y30 WeakPolarHBondContact O-CB 3.2Å; A26-Y30 PolarHBondContact O-N 2.99Å; A26-L47 HydrophobicContact CB-CD1 4.1Å; A26-L47 HydrophobicContact CB-CD2 4.15Å; A26-F51 HydrophobicContact CB-CD2 4.47Å; A26-F51 HydrophobicContact CB-CE2 3.39Å; A26-F51 HydrophobicContact CB-CZ 3.77Å
27I97Very high94Very high0 Ų054.6 Ų54.60%027%0.265CS..Hα-helixtrans-66.7-43174.9-65.2165000110.4Q23 R24 Y25 Y30 L31 I43 L47 V59 N62 L63 F66Q23-I27 VanDerWaalsContact O-CG1 3.26Å; Q23-I27 WeakPolarHBondContact O-CG1 3.05Å; Q23-I27 PolarHBondContact O-N 3.26Å; R24-I27 PolarHBondContact O-N 3.12Å; Y25-I27 PolarHBondContact O-N 2.94Å; I27-Y30 PolarHBondContact O-N 3.42Å; I27-L31 HydrophobicContact CG2-CD1 4.28Å; I27-L31 WeakPolarHBondContact O-CG 3.4Å; I27-L31 PolarHBondContact O-N 3.48Å; I27-I43 HydrophobicContact CG1-CG2 4.19Å; I27-I43 HydrophobicContact CG2-CD1 4.46Å; I27-I43 HydrophobicContact CG2-CG2 4.33Å; I27-L47 HydrophobicContact CG1-CD1 3.73Å; I27-V59 HydrophobicContact CD1-CB 4.47Å; I27-V59 HydrophobicContact CD1-CG1 4.19Å; I27-V59 HydrophobicContact CD1-CG2 4.45Å; I27-V59 HydrophobicContact CG1-CG1 4.45Å; I27-N62 HydrophobicContact CD1-CB 3.7Å; I27-L63 HydrophobicContact CG2-CD2 3.76Å; I27-L63 HydrophobicContact CG2-CG 4.41Å; I27-F66 HydrophobicContact CB-CE2 4.11Å; I27-F66 HydrophobicContact CG2-CD2 4.38Å; I27-F66 HydrophobicContact CG2-CE2 3.71Å
28L95.2Very high94Very high0 Ų051.3 Ų51.30%023%0.231CC..Hα-helixtrans-62.4-47.7175.3-75.7175.9000112A9 V10 L13 R24 Y25 Y30 L31 I32 F66 I71 F86A9-L28 HydrophobicContact CB-CD1 4.1Å; A9-L28 HydrophobicContact CB-CD2 4.21Å; V10-L28 HydrophobicContact CG2-CD1 4.22Å; L13-L28 HydrophobicContact CD1-CD1 3.6Å; L13-L28 HydrophobicContact CD1-CG 4.42Å; R24-L28 WeakPolarHBondContact O-CG 3.45Å; R24-L28 PolarHBondContact O-N 2.92Å; Y25-L28 PolarHBondContact O-N 3.37Å; L28-Y30 VanDerWaalsContact C-N 3.29Å; L28-Y30 PolarHBondContact O-N 3.08Å; L28-L31 PolarHBondContact O-N 3.01Å; L28-I32 WeakPolarHBondContact O-CB 3.31Å; L28-I32 WeakPolarHBondContact O-CD1 3.5Å; L28-I32 VanDerWaalsContact O-CG1 3.27Å; L28-I32 WeakPolarHBondContact O-CG1 3.36Å; L28-I32 PolarHBondContact O-N 2.89Å; L28-F66 HydrophobicContact CD1-CZ 4.49Å; L28-F66 HydrophobicContact CD2-CD2 3.87Å; L28-F66 HydrophobicContact CD2-CE2 3.71Å; L28-F66 HydrophobicContact CD2-CG 4.41Å; L28-F66 HydrophobicContact CD2-CZ 4.12Å; L28-F66 HydrophobicContact CG-CD2 4.45Å; L28-F66 HydrophobicContact CG-CE2 3.78Å; L28-F66 HydrophobicContact CG-CZ 3.87Å; L28-I71 HydrophobicContact CD2-CD1 3.61Å; L28-F86 HydrophobicContact CD2-CD2 4.48Å; L28-F86 HydrophobicContact CD2-CE2 4.33Å
29E95.3Very high93.9Very high42 Ų4251.9 Ų51.920%0.19623%0.234CC..Hα-helixtrans-54.2-48.3176.5-176.8176.8-105.800110.5V6 Y25 L31 I32 E33 R50V6-E29 HydrophobicContact CG2-CB 4.45Å; Y25-E29 WeakPolarHBondContact O-CB 3.12Å; Y25-E29 PolarHBondContact O-N 3.49Å; E29-L31 PolarHBondContact O-N 3.24Å; E29-I32 PolarHBondContact O-N 3.23Å; E29-E33 VanDerWaalsContact O-CB 3.26Å; E29-E33 WeakPolarHBondContact O-CB 3.42Å; E29-E33 PolarHBondContact O-N 3.26Å; E29-R50 IonicContact OE2-NH1 3.39Å; E29-R50 PolarHBondContact OE2-NH1 3.09Å
30Y96.1Very high93.9Very high17 Ų1742.8 Ų42.87%0.06720%0.202CC..Hα-helixtrans-57.2-51.8176.3-175.7-80.1000112.4A26 I27 L28 I32 E33 Y34 P38 I43 S46A26-Y30 WeakPolarHBondContact O-CB 3.2Å; A26-Y30 PolarHBondContact O-N 2.99Å; I27-Y30 PolarHBondContact O-N 3.42Å; L28-Y30 VanDerWaalsContact C-N 3.29Å; L28-Y30 PolarHBondContact O-N 3.08Å; Y30-I32 VanDerWaalsContact C-N 3.3Å; Y30-I32 PolarHBondContact O-N 3.24Å; Y30-E33 PolarHBondContact O-N 3.43Å; Y30-Y34 HydrophobicContact CD1-CD2 4.03Å; Y30-Y34 AromaticContact CD2-CD2 3.32Å; Y30-Y34 HydrophobicContact CD2-CD2 3.32Å; Y30-Y34 AromaticContact CD2-CE2 3.35Å; Y30-Y34 HydrophobicContact CD2-CE2 3.35Å; Y30-Y34 HydrophobicContact CD2-CG 4.46Å; Y30-Y34 HydrophobicContact CE1-CD2 4.02Å; Y30-Y34 HydrophobicContact CE1-CG 4.44Å; Y30-Y34 AromaticContact CE2-CD2 3.31Å; Y30-Y34 HydrophobicContact CE2-CD2 3.31Å; Y30-Y34 AromaticContact CE2-CE2 3.4Å; Y30-Y34 HydrophobicContact CE2-CE2 3.4Å; Y30-Y34 VanDerWaalsContact CE2-CE2 3.4Å; Y30-Y34 HydrophobicContact CE2-CG 4.11Å; Y30-Y34 AromaticContact CG-CD2 3.69Å; Y30-Y34 HydrophobicContact CG-CD2 3.69Å; Y30-Y34 HydrophobicContact CG-CE2 4.11Å; Y30-Y34 AromaticContact CZ-CD2 3.71Å; Y30-Y34 WeakPolarHBondContact O-CD2 3.47Å; Y30-Y34 PolarHBondContact O-N 2.94Å; Y30-P38 HydrophobicContact CD1-CG 4.2Å; Y30-P38 HydrophobicContact CE1-CB 3.73Å; Y30-P38 HydrophobicContact CE1-CG 3.7Å; Y30-I43 HydrophobicContact CD1-CB 4.41Å; Y30-I43 HydrophobicContact CD1-CD1 4.42Å; Y30-I43 HydrophobicContact CD1-CG1 3.73Å; Y30-I43 HydrophobicContact CD1-CG2 4.35Å; Y30-I43 HydrophobicContact CE1-CB 4.49Å; Y30-I43 HydrophobicContact CE1-CG1 3.74Å; Y30-I43 HydrophobicContact CG-CG2 4.41Å; Y30-S46 WeakPolarHBondContact CD2-OG 3.49Å; Y30-S46 WeakPolarHBondContact CE2-OG 3.49Å
31L95.1Very high93.9Very high3 Ų343.4 Ų43.42%0.01621%0.206CC..Hα-helixtrans-60.4-40.9-178.4-71.1168.7000112.1I27 L28 E29 R35 P38 I43 L63 F66 V72 F84 F86I27-L31 HydrophobicContact CG2-CD1 4.28Å; I27-L31 WeakPolarHBondContact O-CG 3.4Å; I27-L31 PolarHBondContact O-N 3.48Å; L28-L31 PolarHBondContact O-N 3.01Å; E29-L31 PolarHBondContact O-N 3.24Å; L31-R35 PolarHBondContact O-N 3.07Å; L31-P38 HydrophobicContact CD2-CG 3.66Å; L31-I43 HydrophobicContact CD2-CD1 3.92Å; L31-I43 HydrophobicContact CG-CD1 4.36Å; L31-L63 HydrophobicContact CD1-CD2 3.73Å; L31-L63 HydrophobicContact CD2-CD2 4.46Å; L31-L63 HydrophobicContact CG-CD2 4.49Å; L31-F66 HydrophobicContact CD1-CD2 4.47Å; L31-V72 HydrophobicContact CD1-CG1 4.49Å; L31-V72 HydrophobicContact CD1-CG2 3.73Å; L31-F84 HydrophobicContact CD2-CB 4.12Å; L31-F86 HydrophobicContact CB-CB 3.82Å
32I92.3Very high93.9Very high2 Ų244.7 Ų44.71%0.0121%0.208CC..Hα-helixtrans-70.6-38.7-177.7-71.4163.9000112V2 A5 V6 A9 L28 E29 Y30 R35 F86V2-I32 HydrophobicContact CG1-CG2 4.02Å; A5-I32 HydrophobicContact CB-CD1 4.39Å; A5-I32 HydrophobicContact CB-CG2 3.88Å; V6-I32 HydrophobicContact CB-CD1 4.1Å; V6-I32 HydrophobicContact CG2-CB 4.38Å; V6-I32 HydrophobicContact CG2-CD1 3.5Å; V6-I32 VanDerWaalsContact CG2-CD1 3.5Å; V6-I32 HydrophobicContact CG2-CG2 4.35Å; A9-I32 HydrophobicContact CB-CD1 4.46Å; L28-I32 WeakPolarHBondContact O-CB 3.31Å; L28-I32 WeakPolarHBondContact O-CD1 3.5Å; L28-I32 VanDerWaalsContact O-CG1 3.27Å; L28-I32 WeakPolarHBondContact O-CG1 3.36Å; L28-I32 PolarHBondContact O-N 2.89Å; E29-I32 PolarHBondContact O-N 3.23Å; Y30-I32 VanDerWaalsContact C-N 3.3Å; Y30-I32 PolarHBondContact O-N 3.24Å; I32-R35 WeakPolarHBondContact O-CG 3.42Å; I32-R35 PolarHBondContact O-NE 3.07Å; I32-R35 VanDerWaalsContact O-NE 3.09Å; I32-F86 HydrophobicContact CB-CD1 4.31Å; I32-F86 HydrophobicContact CD1-CD1 4.1Å; I32-F86 HydrophobicContact CD1-CD2 4.33Å; I32-F86 HydrophobicContact CD1-CE1 3.71Å; I32-F86 HydrophobicContact CD1-CE2 3.94Å; I32-F86 HydrophobicContact CD1-CG 4.42Å; I32-F86 HydrophobicContact CD1-CZ 3.62Å; I32-F86 HydrophobicContact CG1-CB 4.45Å; I32-F86 HydrophobicContact CG1-CD1 3.24Å; I32-F86 HydrophobicContact CG1-CD2 3.98Å; I32-F86 HydrophobicContact CG1-CE1 3.33Å; I32-F86 HydrophobicContact CG1-CE2 4.03Å; I32-F86 HydrophobicContact CG1-CG 3.61Å; I32-F86 HydrophobicContact CG1-CZ 3.74Å
33E91.5Very high93.9Very high106 Ų10640 Ų4050%0.49518%0.178SC..Hα-helixtrans-77.7-48.7-176.1-174.2175.4178.800111.9E29 Y30E29-E33 VanDerWaalsContact O-CB 3.26Å; E29-E33 WeakPolarHBondContact O-CB 3.42Å; E29-E33 PolarHBondContact O-N 3.26Å; Y30-E33 PolarHBondContact O-N 3.43Å
34Y89.3Confident94Very high112 Ų11239.1 Ų39.144%0.43917%0.174SC..Hα-helixtrans-86.6-32.4-171.1-69-75.3000114.1Y30 N36Y30-Y34 HydrophobicContact CD1-CD2 4.03Å; Y30-Y34 AromaticContact CD2-CD2 3.32Å; Y30-Y34 HydrophobicContact CD2-CD2 3.32Å; Y30-Y34 AromaticContact CD2-CE2 3.35Å; Y30-Y34 HydrophobicContact CD2-CE2 3.35Å; Y30-Y34 HydrophobicContact CD2-CG 4.46Å; Y30-Y34 HydrophobicContact CE1-CD2 4.02Å; Y30-Y34 HydrophobicContact CE1-CG 4.44Å; Y30-Y34 AromaticContact CE2-CD2 3.31Å; Y30-Y34 HydrophobicContact CE2-CD2 3.31Å; Y30-Y34 AromaticContact CE2-CE2 3.4Å; Y30-Y34 HydrophobicContact CE2-CE2 3.4Å; Y30-Y34 VanDerWaalsContact CE2-CE2 3.4Å; Y30-Y34 HydrophobicContact CE2-CG 4.11Å; Y30-Y34 AromaticContact CG-CD2 3.69Å; Y30-Y34 HydrophobicContact CG-CD2 3.69Å; Y30-Y34 HydrophobicContact CG-CE2 4.11Å; Y30-Y34 AromaticContact CZ-CD2 3.71Å; Y30-Y34 WeakPolarHBondContact O-CD2 3.47Å; Y30-Y34 PolarHBondContact O-N 2.94Å; Y34-N36 WeakPolarHBondContact CB-OD1 3.37Å; Y34-N36 PolarHBondContact O-N 3.06Å
35R84.9Confident94Very high153 Ų15344.4 Ų44.458%0.57719%0.193SC*.  trans4337.8177.1-55.9-171.1-179.2-165.3-5.1114.6L31 I32L31-R35 PolarHBondContact O-N 3.07Å; I32-R35 WeakPolarHBondContact O-CG 3.42Å; I32-R35 PolarHBondContact O-NE 3.07Å; I32-R35 VanDerWaalsContact O-NE 3.09Å
36N87.6Confident94Very high65 Ų6543 Ų4335%0.34819%0.194SC..SBendtrans-110.419.4-17265.8-30.2000112.3Y34 P38Y34-N36 WeakPolarHBondContact CB-OD1 3.37Å; Y34-N36 PolarHBondContact O-N 3.06Å; N36-P38 WeakPolarHBondContact OD1-CD 3.37Å
37H92.3Very high94Very high3 Ų342.8 Ų42.81%0.01419%0.193CC..  trans53.152.8-179.5-55.695.5000113.2M75 R83 F84 D85 I102 D104H37-M75 HydrophobicContact CB-CE 4.07Å; H37-M75 WeakPolarHBondContact CD2-CE 3.4Å; H37-R83 HydrophobicContact CB-CB 4.32Å; H37-R83 VanDerWaalsContact O-CB 3.32Å; H37-R83 WeakPolarHBondContact O-CB 3.41Å; H37-R83 WeakPolarHBondContact O-CD 3.43Å; H37-R83 WeakPolarHBondContact O-CG 3.32Å; H37-R83 PolarHBondContact O-NH1 2.95Å; H37-F84 WeakPolarHBondContact CA-O 3.28Å; H37-D85 IonicContact CD2-OD1 3.55Å; H37-D85 VanDerWaalsContact NE2-CG 3.29Å; H37-D85 IonicContact NE2-OD1 3.39Å; H37-D85 IonicContact NE2-OD2 2.96Å; H37-I102 HydrophobicContact CB-CB 4.23Å; H37-D104 IonicContact CE1-OD1 3.88Å; H37-D104 PolarHBondContact CE1-OD1 2.99Å; H37-D104 IonicContact CE1-OD2 3.99Å; H37-D104 IonicContact ND1-OD1 3.61Å; H37-D104 IonicContact NE2-OD1 3.66Å; H37-D104 PolarHBondContact NE2-OD1 3.19Å
38P93.9Very high94Very high1 Ų147 Ų471%0.00621%0.213CC..  trans-69.2150.9-172.534.9-42.3000111.6Y30 L31 N36 E42 I43 R83 F84Y30-P38 HydrophobicContact CD1-CG 4.2Å; Y30-P38 HydrophobicContact CE1-CB 3.73Å; Y30-P38 HydrophobicContact CE1-CG 3.7Å; L31-P38 HydrophobicContact CD2-CG 3.66Å; N36-P38 WeakPolarHBondContact OD1-CD 3.37Å; P38-E42 WeakPolarHBondContact CA-OE2 3.36Å; P38-E42 HydrophobicContact CB-CB 4.13Å; P38-I43 HydrophobicContact CB-CD1 4.34Å; P38-I43 HydrophobicContact CB-CG1 3.75Å; P38-I43 HydrophobicContact CG-CD1 3.82Å; P38-I43 HydrophobicContact CG-CG1 3.7Å; P38-R83 WeakPolarHBondContact O-CA 3.46Å; P38-F84 WeakPolarHBondContact CD-O 2.87Å; P38-F84 PolarHBondContact O-N 2.96Å
39T94.4Very high93.9Very high18 Ų1850.5 Ų50.511%0.1125%0.249CC..BIsolated β-bridgetrans-76.2162161.661.70000110.2D41 E42 I43 A81 S82 R83T39-D41 PolarHBondContact O-N 2.92Å; T39-E42 WeakPolarHBondContact CG2-OE2 3.31Å; T39-E42 PolarHBondContact N-OE2 3.24Å; T39-E42 PolarHBondContact O-N 2.97Å; T39-E42 VanDerWaalsContact OG1-CG 3.32Å; T39-E42 WeakPolarHBondContact OG1-CG 3.17Å; T39-E42 PolarHBondContact OG1-N 3.11Å; T39-E42 PolarHBondContact OG1-OE2 3.45Å; T39-I43 WeakPolarHBondContact O-CG1 3.47Å; T39-I43 PolarHBondContact O-N 3.24Å; T39-I43 VanDerWaalsContact O-N 3.14Å; T39-A81 HydrophobicContact CG2-CB 3.89Å; T39-S82 WeakPolarHBondContact CA-O 3.44Å; T39-R83 HydrophobicContact CG2-CG 3.92Å
40A95.8Very high94Very high8 Ų854.9 Ų54.97%0.06626%0.263CS..Hα-helixtrans-59.6-30.3174.700000112.9F44 V56 V59 Y60 L63A40-F44 VanDerWaalsContact O-CB 3.31Å; A40-F44 WeakPolarHBondContact O-CB 3.48Å; A40-F44 PolarHBondContact O-N 3.5Å; A40-V56 HydrophobicContact CB-CG1 4.29Å; A40-V59 HydrophobicContact CB-CG1 4.33Å; A40-Y60 HydrophobicContact CB-CD2 4Å; A40-L63 HydrophobicContact CB-CD1 3.9Å
41D95.2Very high93.9Very high56 Ų5656.1 Ų56.130%0.29927%0.269SS..Hα-helixtrans-69.7-43.7176.8-170.5-104.3000111.8T39 I43 F44 R45T39-D41 PolarHBondContact O-N 2.92Å; D41-I43 PolarHBondContact O-N 3.22Å; D41-F44 WeakPolarHBondContact O-CB 3.34Å; D41-F44 PolarHBondContact O-N 2.99Å; D41-R45 WeakPolarHBondContact O-CG 3.46Å; D41-R45 PolarHBondContact O-N 2.81Å; D41-R45 IonicContact OD1-CZ 3.04Å; D41-R45 IonicContact OD1-NE 2.73Å; D41-R45 PolarHBondContact OD1-NE 2.89Å; D41-R45 IonicContact OD1-NH2 2.71Å; D41-R45 PolarHBondContact OD1-NH2 2.96Å
42E95.1Very high93.7Very high69 Ų6961 Ų6132%0.32230%0.301SS..Hα-helixtrans-61.1-42.9175.6-73.6165.7134.600111.8P38 T39 S46 R83P38-E42 WeakPolarHBondContact CA-OE2 3.36Å; P38-E42 HydrophobicContact CB-CB 4.13Å; T39-E42 WeakPolarHBondContact CG2-OE2 3.31Å; T39-E42 PolarHBondContact N-OE2 3.24Å; T39-E42 PolarHBondContact O-N 2.97Å; T39-E42 VanDerWaalsContact OG1-CG 3.32Å; T39-E42 WeakPolarHBondContact OG1-CG 3.17Å; T39-E42 PolarHBondContact OG1-N 3.11Å; T39-E42 PolarHBondContact OG1-OE2 3.45Å; E42-S46 PolarHBondContact O-N 3.24Å; E42-R83 IonicContact OE1-NH1 3.13Å; E42-R83 IonicContact OE2-NH1 3.34Å; E42-R83 PolarHBondContact OE2-NH1 3.19Å; E42-R83 VanDerWaalsContact OE2-NH1 3.08Å
43I97.2Very high93.7Very high0 Ų068.7 Ų68.70%034%0.342CS..Hα-helixtrans-63.9-44.6174.5-58.8176000110.5I27 Y30 L31 P38 T39 D41 R45 S46 L47 V59 L63I27-I43 HydrophobicContact CG1-CG2 4.19Å; I27-I43 HydrophobicContact CG2-CD1 4.46Å; I27-I43 HydrophobicContact CG2-CG2 4.33Å; Y30-I43 HydrophobicContact CD1-CB 4.41Å; Y30-I43 HydrophobicContact CD1-CD1 4.42Å; Y30-I43 HydrophobicContact CD1-CG1 3.73Å; Y30-I43 HydrophobicContact CD1-CG2 4.35Å; Y30-I43 HydrophobicContact CE1-CB 4.49Å; Y30-I43 HydrophobicContact CE1-CG1 3.74Å; Y30-I43 HydrophobicContact CG-CG2 4.41Å; L31-I43 HydrophobicContact CD2-CD1 3.92Å; L31-I43 HydrophobicContact CG-CD1 4.36Å; P38-I43 HydrophobicContact CB-CD1 4.34Å; P38-I43 HydrophobicContact CB-CG1 3.75Å; P38-I43 HydrophobicContact CG-CD1 3.82Å; P38-I43 HydrophobicContact CG-CG1 3.7Å; T39-I43 WeakPolarHBondContact O-CG1 3.47Å; T39-I43 PolarHBondContact O-N 3.24Å; T39-I43 VanDerWaalsContact O-N 3.14Å; D41-I43 PolarHBondContact O-N 3.22Å; I43-R45 PolarHBondContact O-N 2.78Å; I43-S46 PolarHBondContact O-N 3.01Å; I43-L47 HydrophobicContact CG2-CD1 3.74Å; I43-L47 HydrophobicContact CG2-CG 4.31Å; I43-L47 WeakPolarHBondContact O-CB 3.4Å; I43-L47 WeakPolarHBondContact O-CG 3.38Å; I43-L47 PolarHBondContact O-N 3.42Å; I43-L47 VanDerWaalsContact O-N 3.11Å; I43-V59 HydrophobicContact CB-CG1 3.8Å; I43-V59 HydrophobicContact CD1-CG1 4.36Å; I43-V59 HydrophobicContact CG2-CG1 3.63Å; I43-L63 HydrophobicContact CD1-CD1 3.77Å; I43-L63 HydrophobicContact CD1-CD2 3.84Å; I43-L63 HydrophobicContact CD1-CG 4.31Å
44F97.5Very high93.8Very high35 Ų3564.1 Ų64.115%0.15432%0.321CS..Hα-helixtrans-57.4-51.4178.6166.3-102.8000111.5A40 D41 S46 L47 E48 M54 V56 V59A40-F44 VanDerWaalsContact O-CB 3.31Å; A40-F44 WeakPolarHBondContact O-CB 3.48Å; A40-F44 PolarHBondContact O-N 3.5Å; D41-F44 WeakPolarHBondContact O-CB 3.34Å; D41-F44 PolarHBondContact O-N 2.99Å; F44-S46 PolarHBondContact O-N 3.05Å; F44-L47 CarbonylContact O-C 3.51Å; F44-L47 PolarHBondContact O-N 3.42Å; F44-E48 HydrophobicContact CD2-CB 4.37Å; F44-E48 HydrophobicContact CE1-CB 4.37Å; F44-E48 HydrophobicContact CE2-CB 3.82Å; F44-E48 HydrophobicContact CZ-CB 3.82Å; F44-E48 WeakPolarHBondContact CZ-OE2 3.39Å; F44-E48 WeakPolarHBondContact O-CB 3.48Å; F44-E48 PolarHBondContact O-N 2.97Å; F44-M54 WeakPolarHBondContact CE2-O 3.37Å; F44-V56 HydrophobicContact CB-CB 4.45Å; F44-V56 HydrophobicContact CB-CG2 3.8Å; F44-V56 HydrophobicContact CD1-CG2 3.39Å; F44-V56 HydrophobicContact CD2-CG2 4.19Å; F44-V56 HydrophobicContact CE1-CG2 4.02Å; F44-V56 HydrophobicContact CG-CB 4.4Å; F44-V56 HydrophobicContact CG-CG2 3.49Å; F44-V56 VanDerWaalsContact CG-CG2 3.49Å; F44-V59 HydrophobicContact CB-CG2 3.99Å; F44-V59 HydrophobicContact CD2-CG2 4.46Å
45R96.3Very high94.1Very high163 Ų16361.1 Ų61.162%0.61532%0.317SS*.Hα-helixtrans-58.5-34.5178.8-68.8-179.2-163.5-166.25.7112.8D41 I43 L47D41-R45 WeakPolarHBondContact O-CG 3.46Å; D41-R45 PolarHBondContact O-N 2.81Å; D41-R45 IonicContact OD1-CZ 3.04Å; D41-R45 IonicContact OD1-NE 2.73Å; D41-R45 PolarHBondContact OD1-NE 2.89Å; D41-R45 IonicContact OD1-NH2 2.71Å; D41-R45 PolarHBondContact OD1-NH2 2.96Å; I43-R45 PolarHBondContact O-N 2.78Å; R45-L47 VanDerWaalsContact C-N 3.33Å
46S96.1Very high94.6Very high45 Ų4556.2 Ų56.232%0.31530%0.304SS..Hα-helixtrans-71.5-28.7176.1-176.60000113.4Y30 E42 I43 F44Y30-S46 WeakPolarHBondContact CD2-OG 3.49Å; Y30-S46 WeakPolarHBondContact CE2-OG 3.49Å; E42-S46 PolarHBondContact O-N 3.24Å; I43-S46 PolarHBondContact O-N 3.01Å; F44-S46 PolarHBondContact O-N 3.05Å
47L96.7Very high95Very high0 Ų055.9 Ų55.90%031%0.309CS..Hα-helixtrans-106.6-14.9-171-64.9-174.1000114.3A26 I27 I43 F44 R45 G49 R50 F51 M54A26-L47 HydrophobicContact CB-CD1 4.1Å; A26-L47 HydrophobicContact CB-CD2 4.15Å; I27-L47 HydrophobicContact CG1-CD1 3.73Å; I43-L47 HydrophobicContact CG2-CD1 3.74Å; I43-L47 HydrophobicContact CG2-CG 4.31Å; I43-L47 WeakPolarHBondContact O-CB 3.4Å; I43-L47 WeakPolarHBondContact O-CG 3.38Å; I43-L47 PolarHBondContact O-N 3.42Å; I43-L47 VanDerWaalsContact O-N 3.11Å; F44-L47 CarbonylContact O-C 3.51Å; F44-L47 PolarHBondContact O-N 3.42Å; R45-L47 VanDerWaalsContact C-N 3.33Å; L47-G49 VanDerWaalsContact C-N 3.27Å; L47-G49 PolarHBondContact O-N 2.96Å; L47-R50 VanDerWaalsContact CD2-NH2 3.35Å; L47-R50 PolarHBondContact O-N 3.27Å; L47-F51 HydrophobicContact CB-CD2 4.32Å; L47-F51 PolarHBondContact O-N 3.43Å; L47-M54 HydrophobicContact CB-CE 3.43Å; L47-M54 VanDerWaalsContact CB-CE 3.43Å; L47-M54 HydrophobicContact CD1-CE 4.14Å; L47-M54 HydrophobicContact CG-CE 4.44Å
48E95.6Very high95.2Very high90 Ų9057.6 Ų57.642%0.42132%0.32SS..THydrogen-bonded Turntrans-58.3-36-174.467.4-178.1146.100113F44 R50 F51F44-E48 HydrophobicContact CD2-CB 4.37Å; F44-E48 HydrophobicContact CE1-CB 4.37Å; F44-E48 HydrophobicContact CE2-CB 3.82Å; F44-E48 HydrophobicContact CZ-CB 3.82Å; F44-E48 WeakPolarHBondContact CZ-OE2 3.39Å; F44-E48 WeakPolarHBondContact O-CB 3.48Å; F44-E48 PolarHBondContact O-N 2.97Å; E48-R50 VanDerWaalsContact C-N 3.29Å; E48-R50 PolarHBondContact O-N 3.16Å; E48-F51 CarbonylContact O-C 3.5Å; E48-F51 VanDerWaalsContact O-C 3.24Å; E48-F51 PolarHBondContact O-N 3.39Å
49G94.5Very high95.4Very high73 Ų7357.6 Ų57.675%0.75332%0.32SS*.THydrogen-bonded Turntrans-65.2-29.317600000113.9L47L47-G49 VanDerWaalsContact C-N 3.27Å; L47-G49 PolarHBondContact O-N 2.96Å
50R95.8Very high95.5Very high134 Ų13460.2 Ų60.251%0.50633%0.329SS..THydrogen-bonded Turntrans-87.5-27176.1-70.4-168.2-87.1174-6.3112.4E29 L47 E48E29-R50 IonicContact OE2-NH1 3.39Å; E29-R50 PolarHBondContact OE2-NH1 3.09Å; L47-R50 VanDerWaalsContact CD2-NH2 3.35Å; L47-R50 PolarHBondContact O-N 3.27Å; E48-R50 VanDerWaalsContact C-N 3.29Å; E48-R50 PolarHBondContact O-N 3.16Å
51F95.7Very high95.5Very high43 Ų4363.7 Ų63.719%0.18935%0.346CS..  trans-132.277.9-177.1-57.5-79.2000111.7P22 Q23 A26 L47 E48 N53 M54P22-F51 HydrophobicContact CB-CE1 3.79Å; P22-F51 HydrophobicContact CB-CZ 4.24Å; Q23-F51 HydrophobicContact CG-CD1 3.78Å; Q23-F51 HydrophobicContact CG-CE1 4.15Å; Q23-F51 HydrophobicContact CG-CG 4.1Å; A26-F51 HydrophobicContact CB-CD2 4.47Å; A26-F51 HydrophobicContact CB-CE2 3.39Å; A26-F51 HydrophobicContact CB-CZ 3.77Å; L47-F51 HydrophobicContact CB-CD2 4.32Å; L47-F51 PolarHBondContact O-N 3.43Å; E48-F51 CarbonylContact O-C 3.5Å; E48-F51 VanDerWaalsContact O-C 3.24Å; E48-F51 PolarHBondContact O-N 3.39Å; F51-N53 PolarHBondContact O-N 3.37Å; F51-N53 VanDerWaalsContact O-N 3.1Å; F51-M54 HydrophobicContact CB-CB 3.87Å; F51-M54 HydrophobicContact CB-CE 4.28Å; F51-M54 HydrophobicContact CB-SD 4.38Å; F51-M54 HydrophobicContact CD2-CE 4.46Å; F51-M54 WeakPolarHBondContact O-CB 3.31Å; F51-M54 PolarHBondContact O-N 2.87Å
52P90.9Very high95.7Very high106 Ų10661.6 Ų61.669%0.68834%0.335SS*.THydrogen-bonded Turntrans-62.5-23.9-172.4-24.934.5000115.3M54P52-M54 VanDerWaalsContact C-N 3.33Å
53N90.9Very high95.7Very high162 Ų16258.3 Ų58.387%0.86632%0.32SS*.THydrogen-bonded Turntrans-91.66.2178.2-62.3-33000112.9F51F51-N53 PolarHBondContact O-N 3.37Å; F51-N53 VanDerWaalsContact O-N 3.1Å
54M94.3Very high95.7Very high10 Ų1064.2 Ų64.25%0.04934%0.342CS..  trans-83.4148.5175.9-166.1165.167.400109.8Q23 F44 L47 F51 P52 T58 V59Q23-M54 HydrophobicContact CB-SD 4.27Å; Q23-M54 HydrophobicContact CG-SD 4.02Å; F44-M54 WeakPolarHBondContact CE2-O 3.37Å; L47-M54 HydrophobicContact CB-CE 3.43Å; L47-M54 VanDerWaalsContact CB-CE 3.43Å; L47-M54 HydrophobicContact CD1-CE 4.14Å; L47-M54 HydrophobicContact CG-CE 4.44Å; F51-M54 HydrophobicContact CB-CB 3.87Å; F51-M54 HydrophobicContact CB-CE 4.28Å; F51-M54 HydrophobicContact CB-SD 4.38Å; F51-M54 HydrophobicContact CD2-CE 4.46Å; F51-M54 WeakPolarHBondContact O-CB 3.31Å; F51-M54 PolarHBondContact O-N 2.87Å; P52-M54 VanDerWaalsContact C-N 3.33Å; M54-T58 HydrophobicContact CG-CG2 3.93Å; M54-V59 HydrophobicContact CE-CG2 3.64Å; M54-V59 HydrophobicContact CG-CG2 4.06Å; M54-V59 HydrophobicContact SD-CG2 3.73Å
55S95.6Very high95.6Very high50 Ų5065.3 Ų65.335%0.3535%0.346SS..  trans-120.5162.517268.30000109.8A57 T58 V59S55-A57 PolarHBondContact O-N 3.35Å; S55-A57 PolarHBondContact OG-N 3.48Å; S55-T58 PolarHBondContact N-OG1 3.29Å; S55-T58 WeakPolarHBondContact O-CA 3.36Å; S55-T58 VanDerWaalsContact O-CB 3.27Å; S55-T58 WeakPolarHBondContact O-CB 3.36Å; S55-T58 PolarHBondContact O-N 3.44Å; S55-T58 PolarHBondContact OG-N 3.31Å; S55-T58 VanDerWaalsContact OG-N 3.08Å; S55-T58 PolarHBondContact OG-OG1 3.25Å; S55-V59 PolarHBondContact O-N 2.86Å; S55-V59 VanDerWaalsContact O-N 3.1Å
56V96.4Very high95.6Very high50 Ų5057.5 Ų57.530%0.30332%0.317SS..Hα-helixtrans-53.3-39.5170.1-179.10000110.9A40 F44 T58 V59 Y60A40-V56 HydrophobicContact CB-CG1 4.29Å; F44-V56 HydrophobicContact CB-CB 4.45Å; F44-V56 HydrophobicContact CB-CG2 3.8Å; F44-V56 HydrophobicContact CD1-CG2 3.39Å; F44-V56 HydrophobicContact CD2-CG2 4.19Å; F44-V56 HydrophobicContact CE1-CG2 4.02Å; F44-V56 HydrophobicContact CG-CB 4.4Å; F44-V56 HydrophobicContact CG-CG2 3.49Å; F44-V56 VanDerWaalsContact CG-CG2 3.49Å; V56-T58 VanDerWaalsContact C-N 3.32Å; V56-T58 PolarHBondContact O-N 2.96Å; V56-V59 WeakPolarHBondContact O-CB 3.3Å; V56-V59 PolarHBondContact O-N 3.47Å; V56-V59 VanDerWaalsContact O-N 3.13Å; V56-Y60 PolarHBondContact O-N 2.84Å
57A95.9Very high95.5Very high57 Ų5757.5 Ų57.547%0.47132%0.315SS..Hα-helixtrans-62-38.1176.300000112.4S55 V59 Y60 N61S55-A57 PolarHBondContact O-N 3.35Å; S55-A57 PolarHBondContact OG-N 3.48Å; A57-V59 VanDerWaalsContact C-N 3.35Å; A57-Y60 PolarHBondContact O-N 2.97Å; A57-N61 VanDerWaalsContact O-CB 3.31Å; A57-N61 WeakPolarHBondContact O-CB 3.39Å; A57-N61 PolarHBondContact O-N 3.21Å; A57-N61 PolarHBondContact O-ND2 3.02Å; A57-N61 VanDerWaalsContact O-ND2 3.09Å
58T96.3Very high95.4Very high40 Ų4063.9 Ų63.925%0.24535%0.345CS..Hα-helixtrans-62.3-43.2173.5-530000111M54 S55 V56 N62M54-T58 HydrophobicContact CG-CG2 3.93Å; S55-T58 PolarHBondContact N-OG1 3.29Å; S55-T58 WeakPolarHBondContact O-CA 3.36Å; S55-T58 VanDerWaalsContact O-CB 3.27Å; S55-T58 WeakPolarHBondContact O-CB 3.36Å; S55-T58 PolarHBondContact O-N 3.44Å; S55-T58 PolarHBondContact OG-N 3.31Å; S55-T58 VanDerWaalsContact OG-N 3.08Å; S55-T58 PolarHBondContact OG-OG1 3.25Å; V56-T58 VanDerWaalsContact C-N 3.32Å; V56-T58 PolarHBondContact O-N 2.96Å; T58-N62 PolarHBondContact O-N 3Å; T58-N62 VanDerWaalsContact O-N 3.15Å; T58-N62 PolarHBondContact O-ND2 3.35Å
59V97.8Very high95.3Very high0 Ų061.9 Ų61.90%034%0.337CS..Hα-helixtrans-63-52.1177.4-1790000110.2I27 A40 I43 F44 M54 S55 V56 A57 N61 N62 L63I27-V59 HydrophobicContact CD1-CB 4.47Å; I27-V59 HydrophobicContact CD1-CG1 4.19Å; I27-V59 HydrophobicContact CD1-CG2 4.45Å; I27-V59 HydrophobicContact CG1-CG1 4.45Å; A40-V59 HydrophobicContact CB-CG1 4.33Å; I43-V59 HydrophobicContact CB-CG1 3.8Å; I43-V59 HydrophobicContact CD1-CG1 4.36Å; I43-V59 HydrophobicContact CG2-CG1 3.63Å; F44-V59 HydrophobicContact CB-CG2 3.99Å; F44-V59 HydrophobicContact CD2-CG2 4.46Å; M54-V59 HydrophobicContact CE-CG2 3.64Å; M54-V59 HydrophobicContact CG-CG2 4.06Å; M54-V59 HydrophobicContact SD-CG2 3.73Å; S55-V59 PolarHBondContact O-N 2.86Å; S55-V59 VanDerWaalsContact O-N 3.1Å; V56-V59 WeakPolarHBondContact O-CB 3.3Å; V56-V59 PolarHBondContact O-N 3.47Å; V56-V59 VanDerWaalsContact O-N 3.13Å; A57-V59 VanDerWaalsContact C-N 3.35Å; V59-N61 VanDerWaalsContact C-N 3.32Å; V59-N61 PolarHBondContact O-N 2.93Å; V59-N62 PolarHBondContact O-N 3.39Å; V59-L63 HydrophobicContact CG1-CD1 4.12Å; V59-L63 HydrophobicContact CG1-CG 4.43Å; V59-L63 WeakPolarHBondContact O-CG 3.36Å; V59-L63 PolarHBondContact O-N 2.89Å
60Y96.1Very high95.1Very high74 Ų7461.2 Ų61.229%0.2933%0.329SS..Hα-helixtrans-57.6-42.2179.2-171.8-100000112.6A40 V56 A57 N62 L63 R64 E74 F84A40-Y60 HydrophobicContact CB-CD2 4Å; V56-Y60 PolarHBondContact O-N 2.84Å; A57-Y60 PolarHBondContact O-N 2.97Å; Y60-N62 VanDerWaalsContact C-N 3.32Å; Y60-N62 PolarHBondContact O-N 2.71Å; Y60-L63 PolarHBondContact O-N 2.73Å; Y60-R64 HydrophobicContact CD1-CG 4.15Å; Y60-R64 VanDerWaalsContact CE1-CD 3.41Å; Y60-R64 HydrophobicContact CE1-CG 3.73Å; Y60-R64 PolarHBondContact O-N 3.22Å; Y60-E74 PolarHBondContact OH-OE1 3.46Å; Y60-F84 HydrophobicContact CD2-CE2 4.29Å; Y60-F84 AromaticContact CD2-CZ 3.95Å; Y60-F84 HydrophobicContact CD2-CZ 3.95Å; Y60-F84 HydrophobicContact CE2-CE2 4.28Å; Y60-F84 AromaticContact CE2-CZ 3.69Å; Y60-F84 HydrophobicContact CE2-CZ 3.69Å
61N96.6Very high95Very high81 Ų8155.5 Ų55.543%0.43331%0.308SS..Hα-helixtrans-64.1-35176.6-75.2-31.3000113.1A57 V59 R64 K65A57-N61 VanDerWaalsContact O-CB 3.31Å; A57-N61 WeakPolarHBondContact O-CB 3.39Å; A57-N61 PolarHBondContact O-N 3.21Å; A57-N61 PolarHBondContact O-ND2 3.02Å; A57-N61 VanDerWaalsContact O-ND2 3.09Å; V59-N61 VanDerWaalsContact C-N 3.32Å; V59-N61 PolarHBondContact O-N 2.93Å; N61-R64 PolarHBondContact OD1-NH2 2.99Å; N61-K65 PolarHBondContact O-N 3.38Å
62N97.6Very high94.9Very high12 Ų1253.6 Ų53.66%0.06430%0.301CS..Hα-helixtrans-70.8-42.4173.9-76.8-66.3000111.6R24 I27 T58 V59 Y60 R64 K65 F66R24-N62 HydrophobicContact CG-CB 4.45Å; R24-N62 WeakPolarHBondContact CG-OD1 3.46Å; R24-N62 PolarHBondContact NE-OD1 3.14Å; I27-N62 HydrophobicContact CD1-CB 3.7Å; T58-N62 PolarHBondContact O-N 3Å; T58-N62 VanDerWaalsContact O-N 3.15Å; T58-N62 PolarHBondContact O-ND2 3.35Å; V59-N62 PolarHBondContact O-N 3.39Å; Y60-N62 VanDerWaalsContact C-N 3.32Å; Y60-N62 PolarHBondContact O-N 2.71Å; N62-R64 PolarHBondContact O-N 2.97Å; N62-K65 WeakPolarHBondContact O-CA 3.34Å; N62-K65 WeakPolarHBondContact O-CB 3.49Å; N62-K65 PolarHBondContact O-N 3.35Å; N62-K65 VanDerWaalsContact O-N 3.08Å; N62-F66 HydrophobicContact CB-CZ 4.38Å; N62-F66 VanDerWaalsContact O-CD1 3.29Å; N62-F66 WeakPolarHBondContact O-CD1 3.44Å; N62-F66 VanDerWaalsContact O-CG 3.25Å; N62-F66 WeakPolarHBondContact O-CG 3.32Å; N62-F66 PolarHBondContact O-N 2.95Å
63L97Very high94.9Very high0 Ų052.6 Ų52.60%029%0.287CS..Hα-helixtrans-58.6-47.1175.1-67.7172.5000111.7I27 L31 A40 I43 V59 Y60 K65 F66 V67 F84I27-L63 HydrophobicContact CG2-CD2 3.76Å; I27-L63 HydrophobicContact CG2-CG 4.41Å; L31-L63 HydrophobicContact CD1-CD2 3.73Å; L31-L63 HydrophobicContact CD2-CD2 4.46Å; L31-L63 HydrophobicContact CG-CD2 4.49Å; A40-L63 HydrophobicContact CB-CD1 3.9Å; I43-L63 HydrophobicContact CD1-CD1 3.77Å; I43-L63 HydrophobicContact CD1-CD2 3.84Å; I43-L63 HydrophobicContact CD1-CG 4.31Å; V59-L63 HydrophobicContact CG1-CD1 4.12Å; V59-L63 HydrophobicContact CG1-CG 4.43Å; V59-L63 WeakPolarHBondContact O-CG 3.36Å; V59-L63 PolarHBondContact O-N 2.89Å; Y60-L63 PolarHBondContact O-N 2.73Å; L63-K65 PolarHBondContact O-N 3.4Å; L63-F66 HydrophobicContact CD2-CD2 4.44Å; L63-F66 WeakPolarHBondContact O-CA 3.44Å; L63-F66 WeakPolarHBondContact O-CB 3.14Å; L63-F66 PolarHBondContact O-N 2.79Å; L63-V67 WeakPolarHBondContact O-CG2 3.46Å; L63-V67 PolarHBondContact O-N 2.94Å; L63-F84 HydrophobicContact CB-CD1 3.78Å; L63-F84 HydrophobicContact CB-CE1 3.61Å; L63-F84 HydrophobicContact CB-CE2 4.41Å; L63-F84 HydrophobicContact CB-CG 4.24Å; L63-F84 HydrophobicContact CB-CZ 3.95Å; L63-F84 HydrophobicContact CD1-CB 4.46Å; L63-F84 HydrophobicContact CD1-CD1 4.08Å; L63-F84 HydrophobicContact CD1-CD2 3.34Å; L63-F84 HydrophobicContact CD1-CE1 4.15Å; L63-F84 HydrophobicContact CD1-CE2 3.44Å; L63-F84 VanDerWaalsContact CD1-CE2 3.44Å; L63-F84 HydrophobicContact CD1-CG 3.68Å; L63-F84 HydrophobicContact CD1-CZ 3.84Å; L63-F84 HydrophobicContact CD2-CB 4.21Å; L63-F84 HydrophobicContact CD2-CD1 4.25Å; L63-F84 HydrophobicContact CD2-CG 4.06Å; L63-F84 HydrophobicContact CG-CD1 4.25Å; L63-F84 HydrophobicContact CG-CD2 4.34Å; L63-F84 HydrophobicContact CG-CE1 4.4Å; L63-F84 HydrophobicContact CG-CE2 4.5Å; L63-F84 HydrophobicContact CG-CG 4.21Å
64R95.5Very high95Very high124 Ų12447.6 Ų47.647%0.46826%0.258SS..Hα-helixtrans-57.2-38174.2-74.9-159.4-64.6165.4-0.6112.4Y60 N61 N62 F66 V67 E68Y60-R64 HydrophobicContact CD1-CG 4.15Å; Y60-R64 VanDerWaalsContact CE1-CD 3.41Å; Y60-R64 HydrophobicContact CE1-CG 3.73Å; Y60-R64 PolarHBondContact O-N 3.22Å; N61-R64 PolarHBondContact OD1-NH2 2.99Å; N62-R64 PolarHBondContact O-N 2.97Å; R64-F66 VanDerWaalsContact C-N 3.32Å; R64-V67 PolarHBondContact O-N 3.48Å; R64-E68 WeakPolarHBondContact O-CB 3.44Å; R64-E68 PolarHBondContact O-N 3.24Å
65K96.5Very high94.7Very high57 Ų5747.5 Ų47.525%0.24826%0.258CS..Hα-helixtrans-67.6-34.8175.7-167.956.7178-179.80111.9V18 N61 N62 L63 E68 I69V18-K65 HydrophobicContact CG1-CG 4.21Å; V18-K65 HydrophobicContact CG2-CD 4.26Å; V18-K65 HydrophobicContact CG2-CG 3.94Å; N61-K65 PolarHBondContact O-N 3.38Å; N62-K65 WeakPolarHBondContact O-CA 3.34Å; N62-K65 WeakPolarHBondContact O-CB 3.49Å; N62-K65 PolarHBondContact O-N 3.35Å; N62-K65 VanDerWaalsContact O-N 3.08Å; L63-K65 PolarHBondContact O-N 3.4Å; K65-E68 WeakPolarHBondContact CD-OE2 3.41Å; K65-E68 IonicContact NZ-OE1 2.73Å; K65-E68 PolarHBondContact NZ-OE1 2.86Å; K65-E68 IonicContact NZ-OE2 2.81Å; K65-E68 PolarHBondContact NZ-OE2 2.99Å; K65-E68 PolarHBondContact O-N 2.95Å; K65-I69 WeakPolarHBondContact O-CG1 3.41Å; K65-I69 PolarHBondContact O-N 3.34Å
66F96.1Very high94.2Very high0 Ų049.3 Ų49.30%026%0.263CS..Hα-helixtrans-69.6-36.7175.8-59.7-14.5000111.9L13 R24 I27 L28 L31 N62 L63 R64 I69 G70 I71 V72L13-F66 HydrophobicContact CD1-CD1 3.9Å; L13-F66 HydrophobicContact CD1-CE1 3.51Å; L13-F66 HydrophobicContact CD1-CZ 4.22Å; L13-F66 HydrophobicContact CD2-CD1 3.7Å; L13-F66 HydrophobicContact CD2-CE1 4.12Å; L13-F66 HydrophobicContact CG-CD1 4.45Å; L13-F66 HydrophobicContact CG-CE1 4.49Å; R24-F66 HydrophobicContact CB-CE1 4.27Å; R24-F66 HydrophobicContact CB-CZ 3.88Å; R24-F66 HydrophobicContact CG-CE1 4.01Å; R24-F66 HydrophobicContact CG-CZ 3.9Å; I27-F66 HydrophobicContact CB-CE2 4.11Å; I27-F66 HydrophobicContact CG2-CD2 4.38Å; I27-F66 HydrophobicContact CG2-CE2 3.71Å; L28-F66 HydrophobicContact CD1-CZ 4.49Å; L28-F66 HydrophobicContact CD2-CD2 3.87Å; L28-F66 HydrophobicContact CD2-CE2 3.71Å; L28-F66 HydrophobicContact CD2-CG 4.41Å; L28-F66 HydrophobicContact CD2-CZ 4.12Å; L28-F66 HydrophobicContact CG-CD2 4.45Å; L28-F66 HydrophobicContact CG-CE2 3.78Å; L28-F66 HydrophobicContact CG-CZ 3.87Å; L31-F66 HydrophobicContact CD1-CD2 4.47Å; N62-F66 HydrophobicContact CB-CZ 4.38Å; N62-F66 VanDerWaalsContact O-CD1 3.29Å; N62-F66 WeakPolarHBondContact O-CD1 3.44Å; N62-F66 VanDerWaalsContact O-CG 3.25Å; N62-F66 WeakPolarHBondContact O-CG 3.32Å; N62-F66 PolarHBondContact O-N 2.95Å; L63-F66 HydrophobicContact CD2-CD2 4.44Å; L63-F66 WeakPolarHBondContact O-CA 3.44Å; L63-F66 WeakPolarHBondContact O-CB 3.14Å; L63-F66 PolarHBondContact O-N 2.79Å; R64-F66 VanDerWaalsContact C-N 3.32Å; F66-I69 PolarHBondContact O-N 3.14Å; F66-G70 PolarHBondContact O-N 3.16Å; F66-G70 VanDerWaalsContact O-N 3.09Å; F66-I71 HydrophobicContact CB-CD1 4.05Å; F66-I71 HydrophobicContact CB-CG1 3.89Å; F66-I71 HydrophobicContact CD1-CD1 4.34Å; F66-I71 HydrophobicContact CG-CD1 4.16Å; F66-I71 WeakPolarHBondContact O-CG1 3.31Å; F66-I71 PolarHBondContact O-N 3.24Å; F66-I71 VanDerWaalsContact O-N 3.16Å; F66-V72 HydrophobicContact CB-CB 3.81Å; F66-V72 HydrophobicContact CB-CG2 3.63Å; F66-V72 HydrophobicContact CD2-CG2 4.19Å; F66-V72 HydrophobicContact CG-CG2 4.38Å
67V94.6Very high93.2Very high44 Ų4448.4 Ų48.427%0.26726%0.255SS..Hα-helixtrans-64.5-44.7172.7175.20000111.4L63 R64 I69 G70 V72 E74 F84L63-V67 WeakPolarHBondContact O-CG2 3.46Å; L63-V67 PolarHBondContact O-N 2.94Å; R64-V67 PolarHBondContact O-N 3.48Å; V67-I69 PolarHBondContact O-N 3.17Å; V67-G70 WeakPolarHBondContact O-CA 3.26Å; V67-G70 PolarHBondContact O-N 3.41Å; V67-V72 VanDerWaalsContact CA-O 3.31Å; V67-V72 WeakPolarHBondContact CA-O 3.32Å; V67-V72 HydrophobicContact CG2-CB 4.2Å; V67-V72 HydrophobicContact CG2-CG1 3.92Å; V67-V72 WeakPolarHBondContact CG2-O 3.23Å; V67-E74 HydrophobicContact CG1-CB 4.46Å; V67-E74 HydrophobicContact CG2-CB 3.96Å; V67-F84 HydrophobicContact CG2-CD1 4.21Å; V67-F84 HydrophobicContact CG2-CE1 4.22Å
68E94.1Very high92Very high135 Ų13548.9 Ų48.963%0.63127%0.266SS*.Hα-helixtrans-57.9-36.1176.4-170.3-165.3143.400112.4R64 K65 G70R64-E68 WeakPolarHBondContact O-CB 3.44Å; R64-E68 PolarHBondContact O-N 3.24Å; K65-E68 WeakPolarHBondContact CD-OE2 3.41Å; K65-E68 IonicContact NZ-OE1 2.73Å; K65-E68 PolarHBondContact NZ-OE1 2.86Å; K65-E68 IonicContact NZ-OE2 2.81Å; K65-E68 PolarHBondContact NZ-OE2 2.99Å; K65-E68 PolarHBondContact O-N 2.95Å; E68-G70 VanDerWaalsContact C-N 3.33Å
69I92.9Very high90.4Very high48 Ų4855.6 Ų55.625%0.24630%0.3CS..Hα-helixtrans-80-17.5177.6-59-72.4000111.9L13 V18 K65 F66 V67 I71L13-I69 HydrophobicContact CD2-CB 4.11Å; L13-I69 HydrophobicContact CD2-CG1 3.97Å; L13-I69 HydrophobicContact CD2-CG2 4.07Å; V18-I69 HydrophobicContact CG2-CD1 3.65Å; V18-I69 HydrophobicContact CG2-CG1 3.8Å; K65-I69 WeakPolarHBondContact O-CG1 3.41Å; K65-I69 PolarHBondContact O-N 3.34Å; F66-I69 PolarHBondContact O-N 3.14Å; V67-I69 PolarHBondContact O-N 3.17Å; I69-I71 HydrophobicContact CG2-CG2 4.28Å
70G91.4Very high89.3Confident58 Ų5858.3 Ų58.360%0.59832%0.323SS*.THydrogen-bonded Turntrans88.711.6177.100000115.3F66 V67 E68F66-G70 PolarHBondContact O-N 3.16Å; F66-G70 VanDerWaalsContact O-N 3.09Å; V67-G70 WeakPolarHBondContact O-CA 3.26Å; V67-G70 PolarHBondContact O-N 3.41Å; E68-G70 VanDerWaalsContact C-N 3.33Å
71I92.2Very high88.7Confident14 Ų1457.9 Ų57.97%0.07233%0.334CS..SBendtrans-91-13.8178.560.1155.7000113.5A9 E12 L13 L28 F66 I69 F86A9-I71 HydrophobicContact CB-CD1 4.4Å; E12-I71 HydrophobicContact CB-CG2 3.92Å; E12-I71 VanDerWaalsContact OE2-CG2 3.3Å; E12-I71 WeakPolarHBondContact OE2-CG2 3.43Å; L13-I71 HydrophobicContact CD1-CD1 4.09Å; L13-I71 HydrophobicContact CD2-CD1 3.65Å; L13-I71 HydrophobicContact CD2-CG1 4.23Å; L13-I71 HydrophobicContact CG-CD1 3.71Å; L28-I71 HydrophobicContact CD2-CD1 3.61Å; F66-I71 HydrophobicContact CB-CD1 4.05Å; F66-I71 HydrophobicContact CB-CG1 3.89Å; F66-I71 HydrophobicContact CD1-CD1 4.34Å; F66-I71 HydrophobicContact CG-CD1 4.16Å; F66-I71 WeakPolarHBondContact O-CG1 3.31Å; F66-I71 PolarHBondContact O-N 3.24Å; F66-I71 VanDerWaalsContact O-N 3.16Å; I69-I71 HydrophobicContact CG2-CG2 4.28Å; I71-F86 HydrophobicContact CB-CE2 4.5Å; I71-F86 WeakPolarHBondContact O-CD2 3.27Å
72V94.2Very high88.5Confident4 Ų455.2 Ų55.22%0.02432%0.322CS..SBendtrans-130.8143.6178.3169.70000108.2L31 F66 V67 F84 D85 F86L31-V72 HydrophobicContact CD1-CG1 4.49Å; L31-V72 HydrophobicContact CD1-CG2 3.73Å; F66-V72 HydrophobicContact CB-CB 3.81Å; F66-V72 HydrophobicContact CB-CG2 3.63Å; F66-V72 HydrophobicContact CD2-CG2 4.19Å; F66-V72 HydrophobicContact CG-CG2 4.38Å; V67-V72 VanDerWaalsContact CA-O 3.31Å; V67-V72 WeakPolarHBondContact CA-O 3.32Å; V67-V72 HydrophobicContact CG2-CB 4.2Å; V67-V72 HydrophobicContact CG2-CG1 3.92Å; V67-V72 WeakPolarHBondContact CG2-O 3.23Å; V72-F84 HydrophobicContact CG1-CB 3.96Å; V72-F84 HydrophobicContact CG1-CD1 3.91Å; V72-F84 HydrophobicContact CG1-CG 4.43Å; V72-D85 CarbonylContact C-O 3.24Å; V72-D85 VanDerWaalsContact CA-O 3.23Å; V72-D85 WeakPolarHBondContact CA-O 3.1Å; V72-D85 WeakPolarHBondContact CG1-O 3.44Å; V72-F86 HydrophobicContact CG2-CD2 4.15Å
73Q91.7Very high88.2Confident85 Ų8556.5 Ų56.540%0.39733%0.326SS..EExtended strand (participates in β ladder)trans-103.6136.7171.8-58.6-172.333.600109.7F84 D85 T87Q73-F84 VanDerWaalsContact O-CA 3.31Å; Q73-F84 WeakPolarHBondContact O-CA 3.2Å; Q73-D85 PolarHBondContact N-O 3.13Å; Q73-D85 PolarHBondContact O-N 3.34Å; Q73-T87 PolarHBondContact NE2-O 2.83Å
74E92.5Very high88.1Confident56 Ų5656.6 Ų56.626%0.26233%0.326SS..EExtended strand (participates in β ladder)trans-98128.3169.8-175.5173.5-163.900109.1Y60 V67 S82 F84Y60-E74 PolarHBondContact OH-OE1 3.46Å; V67-E74 HydrophobicContact CG1-CB 4.46Å; V67-E74 HydrophobicContact CG2-CB 3.96Å; E74-S82 WeakPolarHBondContact OE1-CB 3.43Å; E74-S82 PolarHBondContact OE1-OG 3.38Å; E74-F84 HydrophobicContact CB-CD1 4.12Å; E74-F84 HydrophobicContact CB-CE1 3.79Å; E74-F84 HydrophobicContact CG-CD1 4.28Å; E74-F84 HydrophobicContact CG-CE1 3.63Å; E74-F84 HydrophobicContact CG-CZ 3.93Å
75M88.5Confident88Confident8 Ų850.9 Ų50.94%0.03931%0.305CS..EExtended strand (participates in β ladder)trans-117.8115-178.5-58.7-173.1-65.300109.6H37 Y77 R83 D85 H93H37-M75 HydrophobicContact CB-CE 4.07Å; H37-M75 WeakPolarHBondContact CD2-CE 3.4Å; M75-Y77 HydrophobicContact CB-CD2 4.3Å; M75-Y77 HydrophobicContact CB-CE2 3.51Å; M75-Y77 HydrophobicContact CE-CE2 4.21Å; M75-Y77 VanDerWaalsContact CE-OH 3.28Å; M75-Y77 WeakPolarHBondContact CE-OH 3.2Å; M75-Y77 PolarHBondContact SD-OH 3.41Å; M75-R83 HydrophobicContact CE-CB 4.45Å; M75-R83 PolarHBondContact N-O 3.36Å; M75-R83 PolarHBondContact O-N 3.39Å; M75-D85 HydrophobicContact CE-CB 4.12Å; M75-H93 PolarHBondContact SD-CE1 3.42Å; M75-H93 PolarHBondContact SD-NE2 2.72Å; M75-H93 VanDerWaalsContact SD-NE2 3.38Å
76N84Confident87.7Confident88 Ų8849.9 Ų49.947%0.47130%0.301SS..  trans-96.2122.4176-60.4-30.8000108.4S82 R129N76-S82 PolarHBondContact OD1-OG 3.38Å; N76-R129 PolarHBondContact O-NH1 3.08Å; N76-R129 PolarHBondContact O-NH2 3.01Å; N76-R129 VanDerWaalsContact O-NH2 3.17Å
77Y75Confident86.9Confident31 Ų3151.7 Ų51.712%0.12231%0.312CS..  trans-112.962.1179.3-62.2-77.8000109.8M75 D79 A80 R83 I95 I102 E131M75-Y77 HydrophobicContact CB-CD2 4.3Å; M75-Y77 HydrophobicContact CB-CE2 3.51Å; M75-Y77 HydrophobicContact CE-CE2 4.21Å; M75-Y77 VanDerWaalsContact CE-OH 3.28Å; M75-Y77 WeakPolarHBondContact CE-OH 3.2Å; M75-Y77 PolarHBondContact SD-OH 3.41Å; Y77-D79 PolarHBondContact O-N 3.15Å; Y77-A80 WeakPolarHBondContact O-CB 3.19Å; Y77-A80 PolarHBondContact O-N 3.17Å; Y77-R83 HydrophobicContact CD2-CB 4.41Å; Y77-R83 HydrophobicContact CD2-CG 4.41Å; Y77-R83 HydrophobicContact CE2-CB 4.01Å; Y77-R83 HydrophobicContact CE2-CG 4.34Å; Y77-I95 HydrophobicContact CD1-CD1 3.49Å; Y77-I95 VanDerWaalsContact CD1-CD1 3.49Å; Y77-I95 HydrophobicContact CE1-CD1 3.3Å; Y77-I95 HydrophobicContact CE1-CG1 4.17Å; Y77-I102 HydrophobicContact CD2-CD1 3.83Å; Y77-I102 HydrophobicContact CE1-CD1 3.97Å; Y77-I102 HydrophobicContact CE2-CD1 3.18Å; Y77-I102 HydrophobicContact CG-CD1 4.46Å; Y77-I102 WeakPolarHBondContact OH-CD1 3.42Å; Y77-E131 WeakPolarHBondContact CE1-OE1 3.32Å
78G71Confident85.7Confident68 Ų6856.2 Ų56.270%0.70134%0.335SS*.THydrogen-bonded Turntrans66.8-128-177.900000112.5A80G78-A80 PolarHBondContact O-N 2.78Å
79D64Low84.9Confident180 Ų18056.4 Ų56.496%0.96333%0.333SS*.THydrogen-bonded Turntrans-76.9-6.7-178.8-61.4-31.9000113.5Y77Y77-D79 PolarHBondContact O-N 3.15Å
80A73.8Confident84.2Confident58 Ų5859.9 Ų59.948%0.47935%0.348SS..SBendtrans-71.9150.7174.900000111.2Y77 G78Y77-A80 WeakPolarHBondContact O-CB 3.19Å; Y77-A80 PolarHBondContact O-N 3.17Å; G78-A80 PolarHBondContact O-N 2.78Å
81A83.4Confident84Confident65 Ų6558 Ų5854%0.53732%0.324SS..PPolyproline II helixtrans-55.7142.4173.400000111.3T39 R83T39-A81 HydrophobicContact CG2-CB 3.89Å; A81-R83 PolarHBondContact O-N 3.22Å
82S91.6Very high84Confident24 Ų2457.5 Ų57.517%0.16832%0.321CS..PPolyproline II helixtrans-54.1135.6175.7-50.20000111.1T39 E74 N76T39-S82 WeakPolarHBondContact CA-O 3.44Å; E74-S82 WeakPolarHBondContact OE1-CB 3.43Å; E74-S82 PolarHBondContact OE1-OG 3.38Å; N76-S82 PolarHBondContact OD1-OG 3.38Å
83R93.2Very high83.9Confident40 Ų4057.8 Ų57.815%0.15132%0.322CS..EExtended strand (participates in β ladder)trans-108.1152171.9-70.9-177.3174-70.2-0.2110.2H37 P38 T39 E42 M75 Y77 A81 G100H37-R83 HydrophobicContact CB-CB 4.32Å; H37-R83 VanDerWaalsContact O-CB 3.32Å; H37-R83 WeakPolarHBondContact O-CB 3.41Å; H37-R83 WeakPolarHBondContact O-CD 3.43Å; H37-R83 WeakPolarHBondContact O-CG 3.32Å; H37-R83 PolarHBondContact O-NH1 2.95Å; P38-R83 WeakPolarHBondContact O-CA 3.46Å; T39-R83 HydrophobicContact CG2-CG 3.92Å; E42-R83 IonicContact OE1-NH1 3.13Å; E42-R83 IonicContact OE2-NH1 3.34Å; E42-R83 PolarHBondContact OE2-NH1 3.19Å; E42-R83 VanDerWaalsContact OE2-NH1 3.08Å; M75-R83 HydrophobicContact CE-CB 4.45Å; M75-R83 PolarHBondContact N-O 3.36Å; M75-R83 PolarHBondContact O-N 3.39Å; Y77-R83 HydrophobicContact CD2-CB 4.41Å; Y77-R83 HydrophobicContact CD2-CG 4.41Å; Y77-R83 HydrophobicContact CE2-CB 4.01Å; Y77-R83 HydrophobicContact CE2-CG 4.34Å; A81-R83 PolarHBondContact O-N 3.22Å; R83-G100 PolarHBondContact NH2-O 3.27Å
84F94.7Very high84Confident1 Ų155.5 Ų55.50%0.00432%0.318CS..EExtended strand (participates in β ladder)trans-123.8136.7-172.8-64-89.1000111.1L31 H37 P38 Y60 L63 V67 V72 Q73 E74L31-F84 HydrophobicContact CD2-CB 4.12Å; H37-F84 WeakPolarHBondContact CA-O 3.28Å; P38-F84 WeakPolarHBondContact CD-O 2.87Å; P38-F84 PolarHBondContact O-N 2.96Å; Y60-F84 HydrophobicContact CD2-CE2 4.29Å; Y60-F84 AromaticContact CD2-CZ 3.95Å; Y60-F84 HydrophobicContact CD2-CZ 3.95Å; Y60-F84 HydrophobicContact CE2-CE2 4.28Å; Y60-F84 AromaticContact CE2-CZ 3.69Å; Y60-F84 HydrophobicContact CE2-CZ 3.69Å; L63-F84 HydrophobicContact CB-CD1 3.78Å; L63-F84 HydrophobicContact CB-CE1 3.61Å; L63-F84 HydrophobicContact CB-CE2 4.41Å; L63-F84 HydrophobicContact CB-CG 4.24Å; L63-F84 HydrophobicContact CB-CZ 3.95Å; L63-F84 HydrophobicContact CD1-CB 4.46Å; L63-F84 HydrophobicContact CD1-CD1 4.08Å; L63-F84 HydrophobicContact CD1-CD2 3.34Å; L63-F84 HydrophobicContact CD1-CE1 4.15Å; L63-F84 HydrophobicContact CD1-CE2 3.44Å; L63-F84 VanDerWaalsContact CD1-CE2 3.44Å; L63-F84 HydrophobicContact CD1-CG 3.68Å; L63-F84 HydrophobicContact CD1-CZ 3.84Å; L63-F84 HydrophobicContact CD2-CB 4.21Å; L63-F84 HydrophobicContact CD2-CD1 4.25Å; L63-F84 HydrophobicContact CD2-CG 4.06Å; L63-F84 HydrophobicContact CG-CD1 4.25Å; L63-F84 HydrophobicContact CG-CD2 4.34Å; L63-F84 HydrophobicContact CG-CE1 4.4Å; L63-F84 HydrophobicContact CG-CE2 4.5Å; L63-F84 HydrophobicContact CG-CG 4.21Å; V67-F84 HydrophobicContact CG2-CD1 4.21Å; V67-F84 HydrophobicContact CG2-CE1 4.22Å; V72-F84 HydrophobicContact CG1-CB 3.96Å; V72-F84 HydrophobicContact CG1-CD1 3.91Å; V72-F84 HydrophobicContact CG1-CG 4.43Å; Q73-F84 VanDerWaalsContact O-CA 3.31Å; Q73-F84 WeakPolarHBondContact O-CA 3.2Å; E74-F84 HydrophobicContact CB-CD1 4.12Å; E74-F84 HydrophobicContact CB-CE1 3.79Å; E74-F84 HydrophobicContact CG-CD1 4.28Å; E74-F84 HydrophobicContact CG-CE1 3.63Å; E74-F84 HydrophobicContact CG-CZ 3.93Å
85D92.3Very high84.1Confident5 Ų553.7 Ų53.73%0.02731%0.31CS..EExtended strand (participates in β ladder)trans-122.7137.1177.9-169.210.6000111.8H37 V72 Q73 M75 T87 H91H37-D85 IonicContact CD2-OD1 3.55Å; H37-D85 VanDerWaalsContact NE2-CG 3.29Å; H37-D85 IonicContact NE2-OD1 3.39Å; H37-D85 IonicContact NE2-OD2 2.96Å; V72-D85 CarbonylContact C-O 3.24Å; V72-D85 VanDerWaalsContact CA-O 3.23Å; V72-D85 WeakPolarHBondContact CA-O 3.1Å; V72-D85 WeakPolarHBondContact CG1-O 3.44Å; Q73-D85 PolarHBondContact N-O 3.13Å; Q73-D85 PolarHBondContact O-N 3.34Å; M75-D85 HydrophobicContact CE-CB 4.12Å; D85-T87 WeakPolarHBondContact OD2-CG2 3.32Å; D85-H91 IonicContact OD2-CE1 3.43Å; D85-H91 PolarHBondContact OD2-CE1 3.09Å; D85-H91 IonicContact OD2-NE2 3.66Å; D85-H91 PolarHBondContact OD2-NE2 2.9Å
86F90.1Very high84.3Confident36 Ų3653.5 Ų53.516%0.15831%0.309CS..  trans-99.273.8169.9-175.3-89000109.2A9 L28 L31 I32 I71 V72A9-F86 HydrophobicContact CB-CE2 3.68Å; A9-F86 HydrophobicContact CB-CZ 3.76Å; L28-F86 HydrophobicContact CD2-CD2 4.48Å; L28-F86 HydrophobicContact CD2-CE2 4.33Å; L31-F86 HydrophobicContact CB-CB 3.82Å; I32-F86 HydrophobicContact CB-CD1 4.31Å; I32-F86 HydrophobicContact CD1-CD1 4.1Å; I32-F86 HydrophobicContact CD1-CD2 4.33Å; I32-F86 HydrophobicContact CD1-CE1 3.71Å; I32-F86 HydrophobicContact CD1-CE2 3.94Å; I32-F86 HydrophobicContact CD1-CG 4.42Å; I32-F86 HydrophobicContact CD1-CZ 3.62Å; I32-F86 HydrophobicContact CG1-CB 4.45Å; I32-F86 HydrophobicContact CG1-CD1 3.24Å; I32-F86 HydrophobicContact CG1-CD2 3.98Å; I32-F86 HydrophobicContact CG1-CE1 3.33Å; I32-F86 HydrophobicContact CG1-CE2 4.03Å; I32-F86 HydrophobicContact CG1-CG 3.61Å; I32-F86 HydrophobicContact CG1-CZ 3.74Å; I71-F86 HydrophobicContact CB-CE2 4.5Å; I71-F86 WeakPolarHBondContact O-CD2 3.27Å; V72-F86 HydrophobicContact CG2-CD2 4.15Å
87T80.1Confident84.7Confident37 Ų3753.6 Ų53.623%0.22731%0.313CS..  trans-151.3151.2167.5-1600000111.5Q73 D85 K89 H91Q73-T87 PolarHBondContact NE2-O 2.83Å; D85-T87 WeakPolarHBondContact OD2-CG2 3.32Å; T87-K89 PolarHBondContact OG1-N 3.36Å; T87-H91 WeakPolarHBondContact CG2-CE1 3.45Å; T87-H91 WeakPolarHBondContact CG2-ND1 3.17Å
88N68.9Low85.6Confident140 Ų14059.1 Ų59.175%0.74934%0.34SS*.  trans-109.8-2.7172.553.67.1000111.9
89K76.9Confident86.5Confident138 Ų13859.1 Ų59.160%0.633%0.328SS*.SBendtrans-83.2134.1177.9-65.3-171.8179.7-176.60109.6T87 H91T87-K89 PolarHBondContact OG1-N 3.36Å; K89-H91 PolarHBondContact O-N 3.16Å; K89-H91 PolarHBondContact O-ND1 3.43Å
90Q78.7Confident87.7Confident121 Ų12151.7 Ų51.757%0.56530%0.295SS*.  trans-62128.2169.2-173.117015.900109.6H128Q90-H128 PolarHBondContact NE2-CE1 3.21Å; Q90-H128 PolarHBondContact NE2-NE2 2.96Å
91H88.3Confident88.4Confident18 Ų1853.3 Ų53.38%0.08329%0.291CS..  trans-153.9170.7176.662.2-74.1000107.6D85 T87 K89 H93 D104 F106D85-H91 IonicContact OD2-CE1 3.43Å; D85-H91 PolarHBondContact OD2-CE1 3.09Å; D85-H91 IonicContact OD2-NE2 3.66Å; D85-H91 PolarHBondContact OD2-NE2 2.9Å; T87-H91 WeakPolarHBondContact CG2-CE1 3.45Å; T87-H91 WeakPolarHBondContact CG2-ND1 3.17Å; K89-H91 PolarHBondContact O-N 3.16Å; K89-H91 PolarHBondContact O-ND1 3.43Å; H91-H93 AromaticContact CD2-CD2 3.92Å; H91-H93 AromaticContact CD2-CE1 3.97Å; H91-H93 AromaticContact CD2-NE2 3.43Å; H91-H93 PolarHBondContact CD2-NE2 3.49Å; H91-H93 AromaticContact NE2-CD2 3.83Å; H91-H93 AromaticContact NE2-CE1 3.49Å; H91-H93 PolarHBondContact NE2-CE1 2.63Å; H91-H93 AromaticContact NE2-NE2 2.92Å; H91-H93 PolarHBondContact NE2-NE2 3.48Å; H91-D104 VanDerWaalsContact CD2-CG 3.46Å; H91-D104 IonicContact CD2-OD1 2.89Å; H91-D104 PolarHBondContact CD2-OD1 3.33Å; H91-D104 IonicContact NE2-OD1 3.33Å; H91-F106 HydrophobicContact CB-CD1 4.16Å; H91-F106 HydrophobicContact CB-CE1 3.88Å; H91-F106 HydrophobicContact CB-CZ 4.41Å
92Y90.9Very high88.8Confident5 Ų550.9 Ų50.92%0.0227%0.269CS..EExtended strand (participates in β ladder)trans-124.3161.4-178.3-53-51.6000109.9D104 F105 Y107 P108 H128 L130Y92-D104 WeakPolarHBondContact O-CA 3.26Å; Y92-F105 VanDerWaalsContact CB-CE1 3.45Å; Y92-F105 HydrophobicContact CD2-CD2 4.35Å; Y92-F105 AromaticContact CD2-CE2 3.8Å; Y92-F105 HydrophobicContact CD2-CE2 3.8Å; Y92-F105 HydrophobicContact CD2-CZ 4.2Å; Y92-F105 HydrophobicContact CG-CE2 4.19Å; Y92-F105 HydrophobicContact CG-CZ 4.14Å; Y92-F105 PolarHBondContact N-O 3.45Å; Y92-F105 VanDerWaalsContact O-CD1 3.27Å; Y92-F105 WeakPolarHBondContact O-CD1 3.19Å; Y92-F105 PolarHBondContact O-N 2.78Å; Y92-Y107 HydrophobicContact CE2-CD1 4.26Å; Y92-Y107 HydrophobicContact CE2-CG 4.47Å; Y92-P108 PolarHBondContact OH-O 2.64Å; Y92-H128 AromaticContact CE1-CD2 3.78Å; Y92-H128 AromaticContact CE1-NE2 3.36Å; Y92-H128 WeakPolarHBondContact CE1-NE2 3.17Å; Y92-H128 AromaticContact CZ-NE2 3.62Å; Y92-H128 PolarHBondContact OH-NE2 3.24Å; Y92-L130 HydrophobicContact CD1-CB 3.58Å; Y92-L130 HydrophobicContact CD1-CD2 4.41Å; Y92-L130 HydrophobicContact CD1-CG 4.43Å; Y92-L130 HydrophobicContact CD2-CD2 3.97Å; Y92-L130 HydrophobicContact CE1-CB 3.99Å; Y92-L130 HydrophobicContact CE2-CD2 4.35Å; Y92-L130 HydrophobicContact CG-CB 3.91Å; Y92-L130 HydrophobicContact CG-CD2 3.98Å; Y92-L130 HydrophobicContact CG-CG 4.27Å
93H92.7Very high88.8Confident10 Ų1053.4 Ų53.45%0.04628%0.283CS..EExtended strand (participates in β ladder)trans-115.9130.3-171-58.9106.6000112.2M75 H91 I95 I102 D104 F105 L130 E131 V132M75-H93 PolarHBondContact SD-CE1 3.42Å; M75-H93 PolarHBondContact SD-NE2 2.72Å; M75-H93 VanDerWaalsContact SD-NE2 3.38Å; H91-H93 AromaticContact CD2-CD2 3.92Å; H91-H93 AromaticContact CD2-CE1 3.97Å; H91-H93 AromaticContact CD2-NE2 3.43Å; H91-H93 PolarHBondContact CD2-NE2 3.49Å; H91-H93 AromaticContact NE2-CD2 3.83Å; H91-H93 AromaticContact NE2-CE1 3.49Å; H91-H93 PolarHBondContact NE2-CE1 2.63Å; H91-H93 AromaticContact NE2-NE2 2.92Å; H91-H93 PolarHBondContact NE2-NE2 3.48Å; H93-I95 HydrophobicContact CB-CG1 4.34Å; H93-I102 HydrophobicContact CB-CG2 3.91Å; H93-D104 IonicContact CD2-OD1 3.6Å; H93-D104 PolarHBondContact CD2-OD1 3.4Å; H93-D104 IonicContact NE2-OD1 3.48Å; H93-F105 VanDerWaalsContact C-CE1 3.49Å; H93-L130 PolarHBondContact N-O 3.23Å; H93-E131 HydrophobicContact CB-CG 4.41Å; H93-E131 IonicContact ND1-OE1 3.8Å; H93-E131 CarbonylContact O-C 3.59Å; H93-E131 VanDerWaalsContact O-CA 3.29Å; H93-E131 WeakPolarHBondContact O-CA 3.32Å; H93-V132 PolarHBondContact O-N 3.47Å
94A94.2Very high88.8Confident37 Ų3754.1 Ų54.131%0.30629%0.29SS..EExtended strand (participates in β ladder)trans-97.9128.2161.600000109.1I102 V103 F105 V132A94-I102 WeakPolarHBondContact O-CA 3.41Å; A94-V103 PolarHBondContact N-O 3.03Å; A94-V103 PolarHBondContact O-N 3.33Å; A94-F105 HydrophobicContact CB-CD1 4.28Å; A94-V132 WeakPolarHBondContact CA-O 3.43Å; A94-V132 HydrophobicContact CB-CG2 3.76Å
95I93.3Very high88.6Confident17 Ų1756.7 Ų56.79%0.08730%0.301CS..EExtended strand (participates in β ladder)trans-120.7126.4-172.4-53.8162.8000109.1Y77 H93 T97 K101 I102 E131 V132 Y133 G134Y77-I95 HydrophobicContact CD1-CD1 3.49Å; Y77-I95 VanDerWaalsContact CD1-CD1 3.49Å; Y77-I95 HydrophobicContact CE1-CD1 3.3Å; Y77-I95 HydrophobicContact CE1-CG1 4.17Å; H93-I95 HydrophobicContact CB-CG1 4.34Å; I95-T97 PolarHBondContact O-N 2.78Å; I95-K101 WeakPolarHBondContact CA-O 3.44Å; I95-I102 HydrophobicContact CG1-CD1 4.27Å; I95-I102 HydrophobicContact CG1-CG1 4.28Å; I95-I102 HydrophobicContact CG1-CG2 4.43Å; I95-I102 HydrophobicContact CG2-CG1 4.35Å; I95-E131 HydrophobicContact CD1-CB 4.1Å; I95-V132 PolarHBondContact N-O 3.17Å; I95-Y133 HydrophobicContact CB-CD1 4.14Å; I95-Y133 HydrophobicContact CB-CE1 4.29Å; I95-Y133 HydrophobicContact CD1-CD1 4.31Å; I95-Y133 HydrophobicContact CD1-CE1 3.67Å; I95-Y133 HydrophobicContact CG2-CD1 4.42Å; I95-Y133 HydrophobicContact CG2-CE1 4.44Å; I95-Y133 WeakPolarHBondContact O-CA 3.03Å; I95-G134 PolarHBondContact O-N 2.89Å; I95-G134 VanDerWaalsContact O-N 3.09Å
96C93.5Very high88.5Confident5 Ų563.8 Ų63.83%0.03433%0.332CS..EExtended strand (participates in β ladder)trans-72.7123.1173.8-170.20000110.5E98 C99 G100 K101 G134 C136C96-E98 PolarHBondContact O-N 3.23Å; C96-C99 PolarHBondContact SG-SG 2.92Å; C96-G100 WeakPolarHBondContact O-CA 3.4Å; C96-G100 PolarHBondContact O-N 3.46Å; C96-K101 HydrophobicContact CB-CB 4.15Å; C96-K101 PolarHBondContact N-O 2.68Å; C96-G134 CarbonylContact C-O 3.44Å; C96-G134 WeakPolarHBondContact CA-O 3.4Å; C96-C136 HydrophobicContact CB-CB 3.93Å; C96-C136 PolarHBondContact SG-N 3.43Å; C96-C136 VanDerWaalsContact SG-SG 3.62Å
97T92.5Very high88.5Confident90 Ų9069.1 Ų69.155%0.55235%0.352SS*.THydrogen-bonded Turntrans-74-15.4177.654.30000113.3I95 Y133 G134I95-T97 PolarHBondContact O-N 2.78Å; T97-Y133 HydrophobicContact CG2-CD1 4.46Å; T97-G134 PolarHBondContact N-O 2.78Å; T97-G134 PolarHBondContact OG1-O 3.32Å
98E93.3Very high88.8Confident146 Ų14671.9 Ų71.968%0.68237%0.371SS*.THydrogen-bonded Turntrans-94.1-56-179.7-177.963.8-16000111.6C96 L135 C139C96-E98 PolarHBondContact O-N 3.23Å; E98-L135 HydrophobicContact CB-CD2 3.81Å; E98-C139 HydrophobicContact CB-CB 4.11Å; E98-C139 HydrophobicContact CG-CB 4.24Å
99C91.4Very high89.4Confident68 Ų6866.2 Ų66.246%0.45935%0.345SS..THydrogen-bonded Turntrans-104.4-3.6-175.270.10000114.5C96 K101 C136 C139C96-C99 PolarHBondContact SG-SG 2.92Å; C99-K101 PolarHBondContact O-N 2.63Å; C99-K101 VanDerWaalsContact SG-CB 3.51Å; C99-C136 VanDerWaalsContact SG-SG 3.64Å; C99-C139 VanDerWaalsContact SG-SG 3.65Å
100G88.5Confident90Very high25 Ų2561.1 Ų61.126%0.25833%0.325SS..  trans69.98.8-179.200000115.2R83 C96 I102R83-G100 PolarHBondContact NH2-O 3.27Å; C96-G100 WeakPolarHBondContact O-CA 3.4Å; C96-G100 PolarHBondContact O-N 3.46Å; G100-I102 WeakPolarHBondContact O-CG1 3.44Å
101K89.2Confident90.5Very high92 Ų9260.4 Ų60.440%0.432%0.321SS..  trans-60.5135.6175.4-176.1178-173.61790110.1I95 C96 C99 V103 C136 D138I95-K101 WeakPolarHBondContact CA-O 3.44Å; C96-K101 HydrophobicContact CB-CB 4.15Å; C96-K101 PolarHBondContact N-O 2.68Å; C99-K101 PolarHBondContact O-N 2.63Å; C99-K101 VanDerWaalsContact SG-CB 3.51Å; K101-V103 HydrophobicContact CG-CG2 4.41Å; K101-C136 HydrophobicContact CD-CB 4.39Å; K101-D138 IonicContact NZ-OD2 2.86Å; K101-D138 PolarHBondContact NZ-OD2 2.96Å
102I91Very high90.7Very high14 Ų1465 Ų657%0.07235%0.346CS..EExtended strand (participates in β ladder)trans-116.2133.6-179.6-52.2-162.6000109.2H37 Y77 H93 A94 I95 G100H37-I102 HydrophobicContact CB-CB 4.23Å; Y77-I102 HydrophobicContact CD2-CD1 3.83Å; Y77-I102 HydrophobicContact CE1-CD1 3.97Å; Y77-I102 HydrophobicContact CE2-CD1 3.18Å; Y77-I102 HydrophobicContact CG-CD1 4.46Å; Y77-I102 WeakPolarHBondContact OH-CD1 3.42Å; H93-I102 HydrophobicContact CB-CG2 3.91Å; A94-I102 WeakPolarHBondContact O-CA 3.41Å; I95-I102 HydrophobicContact CG1-CD1 4.27Å; I95-I102 HydrophobicContact CG1-CG1 4.28Å; I95-I102 HydrophobicContact CG1-CG2 4.43Å; I95-I102 HydrophobicContact CG2-CG1 4.35Å; G100-I102 WeakPolarHBondContact O-CG1 3.44Å
103V91.8Very high90.9Very high77 Ų7768.5 Ų68.547%0.46737%0.368SS..EExtended strand (participates in β ladder)trans-131.2135.2178.7-175.50000109.5A94 K101A94-V103 PolarHBondContact N-O 3.03Å; A94-V103 PolarHBondContact O-N 3.33Å; K101-V103 HydrophobicContact CG-CG2 4.41Å
104D92.2Very high90.9Very high54 Ų5470.4 Ų70.429%0.28938%0.377SS..EExtended strand (participates in β ladder)trans-74.9140.8175.7-57.3-18.9000110.5H37 H91 Y92 H93H37-D104 IonicContact CE1-OD1 3.88Å; H37-D104 PolarHBondContact CE1-OD1 2.99Å; H37-D104 IonicContact CE1-OD2 3.99Å; H37-D104 IonicContact ND1-OD1 3.61Å; H37-D104 IonicContact NE2-OD1 3.66Å; H37-D104 PolarHBondContact NE2-OD1 3.19Å; H91-D104 VanDerWaalsContact CD2-CG 3.46Å; H91-D104 IonicContact CD2-OD1 2.89Å; H91-D104 PolarHBondContact CD2-OD1 3.33Å; H91-D104 IonicContact NE2-OD1 3.33Å; Y92-D104 WeakPolarHBondContact O-CA 3.26Å; H93-D104 IonicContact CD2-OD1 3.6Å; H93-D104 PolarHBondContact CD2-OD1 3.4Å; H93-D104 IonicContact NE2-OD1 3.48Å
105F91.4Very high90.9Very high56 Ų5674 Ų7425%0.24639%0.389CS..EExtended strand (participates in β ladder)trans-132.5144.7162.570.6-84.6000110.3Y92 H93 A94 L130 V132Y92-F105 VanDerWaalsContact CB-CE1 3.45Å; Y92-F105 HydrophobicContact CD2-CD2 4.35Å; Y92-F105 AromaticContact CD2-CE2 3.8Å; Y92-F105 HydrophobicContact CD2-CE2 3.8Å; Y92-F105 HydrophobicContact CD2-CZ 4.2Å; Y92-F105 HydrophobicContact CG-CE2 4.19Å; Y92-F105 HydrophobicContact CG-CZ 4.14Å; Y92-F105 PolarHBondContact N-O 3.45Å; Y92-F105 VanDerWaalsContact O-CD1 3.27Å; Y92-F105 WeakPolarHBondContact O-CD1 3.19Å; Y92-F105 PolarHBondContact O-N 2.78Å; H93-F105 VanDerWaalsContact C-CE1 3.49Å; A94-F105 HydrophobicContact CB-CD1 4.28Å; F105-L130 HydrophobicContact CE2-CD2 4.32Å; F105-L130 HydrophobicContact CZ-CD2 3.99Å; F105-L130 HydrophobicContact CZ-CG 4.38Å; F105-V132 HydrophobicContact CE1-CG2 3.89Å; F105-V132 HydrophobicContact CZ-CG1 4.48Å; F105-V132 HydrophobicContact CZ-CG2 4.3Å
106F89.9Confident91.1Very high154 Ų15475.4 Ų75.468%0.67540%0.403SS*.  trans-97.5123.8174.2-62.9-84000108.1H91H91-F106 HydrophobicContact CB-CD1 4.16Å; H91-F106 HydrophobicContact CB-CE1 3.88Å; H91-F106 HydrophobicContact CB-CZ 4.41Å
107Y89.3Confident91.2Very high148 Ų14876.9 Ų76.958%0.5841%0.413SS*.  trans-132.3152.8171.9-173.2-97.2000106.9Y92 L110Y92-Y107 HydrophobicContact CE2-CD1 4.26Å; Y92-Y107 HydrophobicContact CE2-CG 4.47Å; Y107-L110 HydrophobicContact CD1-CD2 4.45Å; Y107-L110 HydrophobicContact CE1-CD2 4.29Å
108P87.4Confident91.4Very high94 Ų9474.7 Ų74.761%0.6140%0.402SS*.  trans-46.5153.1172.2-30.137.2000112.1Y92Y92-P108 PolarHBondContact OH-O 2.64Å
109G81.2Confident91.6Very high21 Ų2175.8 Ų75.822%0.21640%0.404CS..  trans-53.9156.6173.200000111.3E111G109-E111 VanDerWaalsContact C-N 3.33Å; G109-E111 WeakPolarHBondContact CA-OE2 3.49Å; G109-E111 VanDerWaalsContact O-OE2 3.12Å
110L88.4Confident91.9Very high32 Ų3279.6 Ų79.617%0.16842%0.419CS..  trans-100.938.8175.9-62.1176000110.7Y107 D112 V113 E114 L130Y107-L110 HydrophobicContact CD1-CD2 4.45Å; Y107-L110 HydrophobicContact CE1-CD2 4.29Å; L110-D112 PolarHBondContact O-N 3.31Å; L110-V113 HydrophobicContact CB-CB 4.11Å; L110-V113 HydrophobicContact CB-CG2 4.14Å; L110-V113 HydrophobicContact CD2-CG2 4.34Å; L110-V113 WeakPolarHBondContact O-CB 3.43Å; L110-V113 PolarHBondContact O-N 3.48Å; L110-E114 WeakPolarHBondContact O-CG 3.29Å; L110-E114 PolarHBondContact O-N 2.85Å; L110-L130 HydrophobicContact CD1-CB 4.07Å; L110-L130 HydrophobicContact CD1-CD2 4.17Å
111E89.6Confident92.3Very high106 Ų10682.1 Ų82.150%0.49543%0.43SS..Hα-helixtrans-60-32.6-176.3-63.283.5178.200111.8G109 E114 M115G109-E111 VanDerWaalsContact C-N 3.33Å; G109-E111 WeakPolarHBondContact CA-OE2 3.49Å; G109-E111 VanDerWaalsContact O-OE2 3.12Å; E111-E114 PolarHBondContact O-N 2.84Å; E111-M115 WeakPolarHBondContact O-CB 3.27Å; E111-M115 VanDerWaalsContact O-CG 3.25Å; E111-M115 WeakPolarHBondContact O-CG 3.36Å; E111-M115 PolarHBondContact O-N 2.93Å
112D93.3Very high92.7Very high113 Ų11381 Ų8160%0.60444%0.444SS*.Hα-helixtrans-63.4-42.7174.365.2-29.8000112L110 M115 A116L110-D112 PolarHBondContact O-N 3.31Å; D112-M115 PolarHBondContact O-N 2.92Å; D112-A116 VanDerWaalsContact O-CB 3.25Å; D112-A116 WeakPolarHBondContact O-CB 3.36Å; D112-A116 PolarHBondContact O-N 3.38Å
113V94.2Very high93Very high79 Ų7988.3 Ų88.348%0.47947%0.472SS..Hα-helixtrans-65.9-41.5174-177.30000111L110 A116 S117L110-V113 HydrophobicContact CB-CB 4.11Å; L110-V113 HydrophobicContact CB-CG2 4.14Å; L110-V113 HydrophobicContact CD2-CG2 4.34Å; L110-V113 WeakPolarHBondContact O-CB 3.43Å; L110-V113 PolarHBondContact O-N 3.48Å; V113-A116 PolarHBondContact O-N 2.86Å; V113-S117 VanDerWaalsContact O-CB 3.27Å; V113-S117 WeakPolarHBondContact O-CB 3.44Å; V113-S117 PolarHBondContact O-N 3.01Å; V113-S117 PolarHBondContact O-OG 2.83Å
114E93.8Very high93.3Very high51 Ų5192.5 Ų92.524%0.23849%0.486CS..Hα-helixtrans-62-45.5175.5-68-174.7152.500111.8L110 E111 S117 S118 I125 H128L110-E114 WeakPolarHBondContact O-CG 3.29Å; L110-E114 PolarHBondContact O-N 2.85Å; E111-E114 PolarHBondContact O-N 2.84Å; E114-S117 WeakPolarHBondContact CA-OG 3.36Å; E114-S117 PolarHBondContact O-OG 3.01Å; E114-S118 WeakPolarHBondContact O-CB 3.47Å; E114-S118 PolarHBondContact O-N 3.39Å; E114-I125 HydrophobicContact CB-CG2 4.18Å; E114-I125 HydrophobicContact CG-CG2 4.06Å; E114-H128 IonicContact OE1-CE1 3.56Å; E114-H128 IonicContact OE1-CG 3.69Å; E114-H128 IonicContact OE1-ND1 2.68Å; E114-H128 PolarHBondContact OE1-ND1 3.09Å
115M94.7Very high93.4Very high112 Ų11292.5 Ų92.555%0.55249%0.486SS*.Hα-helixtrans-65.1-44.7177.3-74.8177.858.800112E111 D112 S118 K119E111-M115 WeakPolarHBondContact O-CB 3.27Å; E111-M115 VanDerWaalsContact O-CG 3.25Å; E111-M115 WeakPolarHBondContact O-CG 3.36Å; E111-M115 PolarHBondContact O-N 2.93Å; D112-M115 PolarHBondContact O-N 2.92Å; M115-S118 PolarHBondContact O-N 2.91Å; M115-K119 WeakPolarHBondContact O-CG 3.44Å; M115-K119 PolarHBondContact O-N 2.94Å
116A96.3Very high93.3Very high46 Ų4696.2 Ų96.238%0.3851%0.508SS..Hα-helixtrans-63.2-47.1178.600000110.9D112 V113 S118 K119 L120D112-A116 VanDerWaalsContact O-CB 3.25Å; D112-A116 WeakPolarHBondContact O-CB 3.36Å; D112-A116 PolarHBondContact O-N 3.38Å; V113-A116 PolarHBondContact O-N 2.86Å; A116-S118 PolarHBondContact O-N 3.45Å; A116-K119 PolarHBondContact O-N 2.88Å; A116-L120 WeakPolarHBondContact O-CB 3.27Å; A116-L120 WeakPolarHBondContact O-CG 3.38Å; A116-L120 PolarHBondContact O-N 3.48Å
117S96.1Very high93.2Very high37 Ų3797.4 Ų97.426%0.25951%0.513SS..Hα-helixtrans-62.7-42.4178.158.10000112V113 E114 K119 L120 T121V113-S117 VanDerWaalsContact O-CB 3.27Å; V113-S117 WeakPolarHBondContact O-CB 3.44Å; V113-S117 PolarHBondContact O-N 3.01Å; V113-S117 PolarHBondContact O-OG 2.83Å; E114-S117 WeakPolarHBondContact CA-OG 3.36Å; E114-S117 PolarHBondContact O-OG 3.01Å; S117-K119 PolarHBondContact O-N 2.86Å; S117-L120 PolarHBondContact O-N 3.49Å; S117-T121 WeakPolarHBondContact O-CB 3.5Å; S117-T121 WeakPolarHBondContact O-CG2 3.43Å; S117-T121 PolarHBondContact O-N 2.92Å; S117-T121 PolarHBondContact O-OG1 2.81Å
118S97.1Very high93.2Very high44 Ų4492.8 Ų92.831%0.30850%0.496SS..Hα-helixtrans-58-47.3174.3-174.90000111.9E114 M115 A116 G122 Y123E114-S118 WeakPolarHBondContact O-CB 3.47Å; E114-S118 PolarHBondContact O-N 3.39Å; M115-S118 PolarHBondContact O-N 2.91Å; A116-S118 PolarHBondContact O-N 3.45Å; S118-G122 VanDerWaalsContact O-CA 3.26Å; S118-G122 WeakPolarHBondContact O-CA 3.4Å; S118-G122 PolarHBondContact O-N 2.86Å; S118-Y123 WeakPolarHBondContact CA-O 3.25Å; S118-Y123 WeakPolarHBondContact CB-O 3.21Å; S118-Y123 PolarHBondContact OG-O 3.47Å
119K97.3Very high93.2Very high168 Ų16894.4 Ų94.473%0.7349%0.491SS*.Hα-helixtrans-66.2-40.9179.6-73.6177.7-179.2177.90113.3M115 A116 S117M115-K119 WeakPolarHBondContact O-CG 3.44Å; M115-K119 PolarHBondContact O-N 2.94Å; A116-K119 PolarHBondContact O-N 2.88Å; S117-K119 PolarHBondContact O-N 2.86Å
120L97.8Very high93.7Very high149 Ų14995.9 Ų95.978%0.7849%0.493SS*.Hα-helixtrans-75.9-27.3-175.7-70.3169.6000112.8A116 S117A116-L120 WeakPolarHBondContact O-CB 3.27Å; A116-L120 WeakPolarHBondContact O-CG 3.38Å; A116-L120 PolarHBondContact O-N 3.48Å; S117-L120 PolarHBondContact O-N 3.49Å
121T97.4Very high93.8Very high78 Ų7896.1 Ų96.148%0.47949%0.493SS..Hα-helixtrans-109.9-18.6-174.865.40000113.7S117 Y123S117-T121 WeakPolarHBondContact O-CB 3.5Å; S117-T121 WeakPolarHBondContact O-CG2 3.43Å; S117-T121 PolarHBondContact O-N 2.92Å; S117-T121 PolarHBondContact O-OG1 2.81Å; T121-Y123 WeakPolarHBondContact O-CD1 3.46Å; T121-Y123 PolarHBondContact O-N 2.94Å; T121-Y123 WeakPolarHBondContact OG1-CB 3.39Å; T121-Y123 PolarHBondContact OG1-N 3.37Å
122G97Very high94Very high67 Ų6794.2 Ų94.269%0.69149%0.489SS*.  trans74.67.9-170.800000114S118S118-G122 VanDerWaalsContact O-CA 3.26Å; S118-G122 WeakPolarHBondContact O-CA 3.4Å; S118-G122 PolarHBondContact O-N 2.86Å
123Y97.7Very high94.1Very high169 Ų16995.6 Ų95.666%0.66349%0.487SS*.  trans-82.3146.3-177.6-74.519.8000111.5S118 T121 I125S118-Y123 WeakPolarHBondContact CA-O 3.25Å; S118-Y123 WeakPolarHBondContact CB-O 3.21Å; S118-Y123 PolarHBondContact OG-O 3.47Å; T121-Y123 WeakPolarHBondContact O-CD1 3.46Å; T121-Y123 PolarHBondContact O-N 2.94Å; T121-Y123 WeakPolarHBondContact OG1-CB 3.39Å; T121-Y123 PolarHBondContact OG1-N 3.37Å; Y123-I125 PolarHBondContact O-N 3.05Å
124Q96.5Very high94.2Very high164 Ų16493.5 Ų93.577%0.76648%0.481SS*.  trans-80.8101.4165.2-175.1-178.9-25.400108.7
125I94.7Very high94.3Very high54 Ų5494.8 Ų94.828%0.27749%0.489SS..  trans-78.2125.6-179.4-52.4-57.8000109.4E114 Y123E114-I125 HydrophobicContact CB-CG2 4.18Å; E114-I125 HydrophobicContact CG-CG2 4.06Å; Y123-I125 PolarHBondContact O-N 3.05Å
126N89.3Confident94.4Very high134 Ų13490 Ų9072%0.71747%0.467SS*.  trans-112.6-18.8-178.3-65.3-23.3000113.4
127K87.8Confident94.4Very high180 Ų18092.1 Ų92.178%0.78348%0.476SS*.  trans-162.7157.1-179.864.4179-176.9177.50110.8
128H89.8Confident94.5Very high50 Ų5094.4 Ų94.423%0.23149%0.485CS..  trans-127.6166.816266.4-99.2000110.8Q90 Y92 E114Q90-H128 PolarHBondContact NE2-CE1 3.21Å; Q90-H128 PolarHBondContact NE2-NE2 2.96Å; Y92-H128 AromaticContact CE1-CD2 3.78Å; Y92-H128 AromaticContact CE1-NE2 3.36Å; Y92-H128 WeakPolarHBondContact CE1-NE2 3.17Å; Y92-H128 AromaticContact CZ-NE2 3.62Å; Y92-H128 PolarHBondContact OH-NE2 3.24Å; E114-H128 IonicContact OE1-CE1 3.56Å; E114-H128 IonicContact OE1-CG 3.69Å; E114-H128 IonicContact OE1-ND1 2.68Å; E114-H128 PolarHBondContact OE1-ND1 3.09Å
129R87.5Confident94.5Very high129 Ų12992.7 Ų92.749%0.48747%0.474SS..  trans-139.7126.2173.4-178.4178179.4-166.7-4.3106.4N76 E131N76-R129 PolarHBondContact O-NH1 3.08Å; N76-R129 PolarHBondContact O-NH2 3.01Å; N76-R129 VanDerWaalsContact O-NH2 3.17Å; R129-E131 HydrophobicContact CG-CG 4.13Å; R129-E131 IonicContact CZ-OE1 3.85Å; R129-E131 IonicContact CZ-OE2 3.08Å; R129-E131 IonicContact NE-OE1 3.53Å; R129-E131 PolarHBondContact NE-OE1 3.05Å; R129-E131 IonicContact NE-OE2 2.64Å; R129-E131 IonicContact NH2-OE1 3.84Å; R129-E131 PolarHBondContact NH2-OE1 3.05Å; R129-E131 IonicContact NH2-OE2 2.63Å; R129-E131 PolarHBondContact NH2-OE2 2.87Å
130L90.7Very high94.5Very high51 Ų5189.2 Ų89.227%0.26746%0.46SS..  trans-115.3131.1173.5171.266.6000109.1Y92 H93 F105 L110 V132Y92-L130 HydrophobicContact CD1-CB 3.58Å; Y92-L130 HydrophobicContact CD1-CD2 4.41Å; Y92-L130 HydrophobicContact CD1-CG 4.43Å; Y92-L130 HydrophobicContact CD2-CD2 3.97Å; Y92-L130 HydrophobicContact CE1-CB 3.99Å; Y92-L130 HydrophobicContact CE2-CD2 4.35Å; Y92-L130 HydrophobicContact CG-CB 3.91Å; Y92-L130 HydrophobicContact CG-CD2 3.98Å; Y92-L130 HydrophobicContact CG-CG 4.27Å; H93-L130 PolarHBondContact N-O 3.23Å; F105-L130 HydrophobicContact CE2-CD2 4.32Å; F105-L130 HydrophobicContact CZ-CD2 3.99Å; F105-L130 HydrophobicContact CZ-CG 4.38Å; L110-L130 HydrophobicContact CD1-CB 4.07Å; L110-L130 HydrophobicContact CD1-CD2 4.17Å; L130-V132 HydrophobicContact CD1-CG1 4.43Å
131E91.4Very high94.4Very high37 Ų3785.8 Ų85.817%0.17345%0.445CS..EExtended strand (participates in β ladder)trans-140.1138.7176.8-53-173.3144.900108.8Y77 H93 I95 R129 Y133Y77-E131 WeakPolarHBondContact CE1-OE1 3.32Å; H93-E131 HydrophobicContact CB-CG 4.41Å; H93-E131 IonicContact ND1-OE1 3.8Å; H93-E131 CarbonylContact O-C 3.59Å; H93-E131 VanDerWaalsContact O-CA 3.29Å; H93-E131 WeakPolarHBondContact O-CA 3.32Å; I95-E131 HydrophobicContact CD1-CB 4.1Å; R129-E131 HydrophobicContact CG-CG 4.13Å; R129-E131 IonicContact CZ-OE1 3.85Å; R129-E131 IonicContact CZ-OE2 3.08Å; R129-E131 IonicContact NE-OE1 3.53Å; R129-E131 PolarHBondContact NE-OE1 3.05Å; R129-E131 IonicContact NE-OE2 2.64Å; R129-E131 IonicContact NH2-OE1 3.84Å; R129-E131 PolarHBondContact NH2-OE1 3.05Å; R129-E131 IonicContact NH2-OE2 2.63Å; R129-E131 PolarHBondContact NH2-OE2 2.87Å; E131-Y133 HydrophobicContact CB-CE2 3.99Å; E131-Y133 PolarHBondContact OE2-OH 3.34Å
132V94.3Very high94.2Very high66 Ų6689.1 Ų89.140%0.445%0.453SS..EExtended strand (participates in β ladder)trans-120.6144.4176.4-61.30000109.4H93 A94 I95 F105 L130H93-V132 PolarHBondContact O-N 3.47Å; A94-V132 WeakPolarHBondContact CA-O 3.43Å; A94-V132 HydrophobicContact CB-CG2 3.76Å; I95-V132 PolarHBondContact N-O 3.17Å; F105-V132 HydrophobicContact CE1-CG2 3.89Å; F105-V132 HydrophobicContact CZ-CG1 4.48Å; F105-V132 HydrophobicContact CZ-CG2 4.3Å; L130-V132 HydrophobicContact CD1-CG1 4.43Å
133Y95.3Very high93.5Very high143 Ų14389.5 Ų89.556%0.56145%0.45SS*.EExtended strand (participates in β ladder)trans-119.3135.6-173-62.9-97.9000109.1I95 T97 E131I95-Y133 HydrophobicContact CB-CD1 4.14Å; I95-Y133 HydrophobicContact CB-CE1 4.29Å; I95-Y133 HydrophobicContact CD1-CD1 4.31Å; I95-Y133 HydrophobicContact CD1-CE1 3.67Å; I95-Y133 HydrophobicContact CG2-CD1 4.42Å; I95-Y133 HydrophobicContact CG2-CE1 4.44Å; I95-Y133 WeakPolarHBondContact O-CA 3.03Å; T97-Y133 HydrophobicContact CG2-CD1 4.46Å; E131-Y133 HydrophobicContact CB-CE2 3.99Å; E131-Y133 PolarHBondContact OE2-OH 3.34Å
134G95.3Very high92.7Very high34 Ų3489.3 Ų89.335%0.35146%0.455SS..EExtended strand (participates in β ladder)trans-176.2-160179.100000112I95 C96 T97I95-G134 PolarHBondContact O-N 2.89Å; I95-G134 VanDerWaalsContact O-N 3.09Å; C96-G134 CarbonylContact C-O 3.44Å; C96-G134 WeakPolarHBondContact CA-O 3.4Å; T97-G134 PolarHBondContact N-O 2.78Å; T97-G134 PolarHBondContact OG1-O 3.32Å
135L97.1Very high91.4Very high78 Ų7891.6 Ų91.641%0.40847%0.466SS..  trans-98.9133.4174.2-63.6178.5000110.4E98 C139 Q140E98-L135 HydrophobicContact CB-CD2 3.81Å; L135-C139 HydrophobicContact CB-CB 4.48Å; L135-C139 HydrophobicContact CD2-CB 4.36Å; L135-Q140 HydrophobicContact CB-CG 3.65Å; L135-Q140 HydrophobicContact CD1-CG 4.46Å; L135-Q140 PolarHBondContact O-NE2 3.38Å
136C96.2Very high91.2Very high13 Ų1393.5 Ų93.59%0.08848%0.475CS..  trans-71.1161.2169.372.70000110.8C96 C99 K101 D138 C139 Q140C96-C136 HydrophobicContact CB-CB 3.93Å; C96-C136 PolarHBondContact SG-N 3.43Å; C96-C136 VanDerWaalsContact SG-SG 3.62Å; C99-C136 VanDerWaalsContact SG-SG 3.64Å; K101-C136 HydrophobicContact CD-CB 4.39Å; C136-D138 VanDerWaalsContact C-N 3.26Å; C136-D138 PolarHBondContact O-N 3.23Å; C136-C139 PolarHBondContact O-N 3.2Å; C136-C139 VanDerWaalsContact SG-SG 3.65Å; C136-Q140 WeakPolarHBondContact O-CG 3.21Å; C136-Q140 PolarHBondContact O-N 3.21Å
137P97.1Very high91.3Very high90 Ų9091.4 Ų91.458%0.58446%0.463SS*.Hα-helixtrans-52.2-42.7179.8-29.236.4000113.6C139 Q140 T141P137-C139 VanDerWaalsContact C-N 3.29Å; P137-C139 PolarHBondContact O-N 3.02Å; P137-Q140 PolarHBondContact O-N 3.22Å; P137-T141 PolarHBondContact O-N 3.28Å; P137-T141 PolarHBondContact O-OG1 2.82Å
138D96.8Very high91.5Very high84 Ų8486.4 Ų86.445%0.44945%0.445SS..Hα-helixtrans-61.3-36.3179.7-51.1-40.6000112.4K101 C136 K142K101-D138 IonicContact NZ-OD2 2.86Å; K101-D138 PolarHBondContact NZ-OD2 2.96Å; C136-D138 VanDerWaalsContact C-N 3.26Å; C136-D138 PolarHBondContact O-N 3.23Å; D138-K142 WeakPolarHBondContact O-CG 3.25Å; D138-K142 PolarHBondContact O-N 2.89Å
139C97.3Very high91.6Very high9 Ų988.6 Ų88.66%0.06146%0.457CS..Hα-helixtrans-81.9-28.7178.3-72.50000112.7E98 C99 L135 C136 P137 A143E98-C139 HydrophobicContact CB-CB 4.11Å; E98-C139 HydrophobicContact CG-CB 4.24Å; C99-C139 VanDerWaalsContact SG-SG 3.65Å; L135-C139 HydrophobicContact CB-CB 4.48Å; L135-C139 HydrophobicContact CD2-CB 4.36Å; C136-C139 PolarHBondContact O-N 3.2Å; C136-C139 VanDerWaalsContact SG-SG 3.65Å; P137-C139 VanDerWaalsContact C-N 3.29Å; P137-C139 PolarHBondContact O-N 3.02Å; C139-A143 WeakPolarHBondContact O-CB 3.35Å; C139-A143 PolarHBondContact O-N 3.31Å; C139-A143 VanDerWaalsContact O-N 3.17Å
140Q97.3Very high91.9Very high95 Ų9586.1 Ų86.144%0.44446%0.455SS..Hα-helixtrans-63.5-48.7171.7-67.9174.544.300110.1L135 C136 P137 K142 A143 E144L135-Q140 HydrophobicContact CB-CG 3.65Å; L135-Q140 HydrophobicContact CD1-CG 4.46Å; L135-Q140 PolarHBondContact O-NE2 3.38Å; C136-Q140 WeakPolarHBondContact O-CG 3.21Å; C136-Q140 PolarHBondContact O-N 3.21Å; P137-Q140 PolarHBondContact O-N 3.22Å; Q140-K142 VanDerWaalsContact C-N 3.34Å; Q140-K142 PolarHBondContact O-N 3.34Å; Q140-A143 PolarHBondContact O-N 3.17Å; Q140-E144 PolarHBondContact O-N 3.31Å
141T96.1Very high92Very high77 Ų7788.4 Ų88.447%0.47247%0.468SS..Hα-helixtrans-60.1-42.2178-55.70000112.3P137 A143 E144P137-T141 PolarHBondContact O-N 3.28Å; P137-T141 PolarHBondContact O-OG1 2.82Å; T141-A143 PolarHBondContact O-N 3.07Å; T141-E144 PolarHBondContact O-N 3.04Å; T141-E144 VanDerWaalsContact O-N 3.17Å
142K92.8Very high92Very high147 Ų14792.1 Ų92.164%0.63949%0.489SS*.Hα-helixtrans-65.7-23.9176.2-72.9174.6-176.7-177.70114.3D138 Q140 E144D138-K142 WeakPolarHBondContact O-CG 3.25Å; D138-K142 PolarHBondContact O-N 2.89Å; Q140-K142 VanDerWaalsContact C-N 3.34Å; Q140-K142 PolarHBondContact O-N 3.34Å; K142-E144 VanDerWaalsContact C-N 3.32Å
143A82.7Confident91.8Very high76 Ų7694.1 Ų94.163%0.62850%0.496SS*.Hα-helixtrans-83.3-12.7177.800000112.6C139 Q140 T141C139-A143 WeakPolarHBondContact O-CB 3.35Å; C139-A143 PolarHBondContact O-N 3.31Å; C139-A143 VanDerWaalsContact O-N 3.17Å; Q140-A143 PolarHBondContact O-N 3.17Å; T141-A143 PolarHBondContact O-N 3.07Å
144E80.6Confident91.5Very high164 Ų16490 Ų9077%0.76649%0.491SS*.Hα-helixtrans-92-11.6176.6-67.6175.4178.500113.1Q140 T141 K142Q140-E144 PolarHBondContact O-N 3.31Å; T141-E144 PolarHBondContact O-N 3.04Å; T141-E144 VanDerWaalsContact O-N 3.17Å; K142-E144 VanDerWaalsContact C-N 3.32Å
145E69.3Low91.2Very high213 Ų21395.1 Ų95.1100%0.99550%0.503SS*.  trans-88.50175.7-67-179.8167.200112.5

Retrieved 145 of 145 residues in 235.8 ms (Link to these results)

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