A0A077Z5J6_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077Z5J6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 242 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
1M58.2Low74.4Confident141 Ų14171.9 Ų71.970%0.69542%0.422SS*.  0143.60-81.5-179.8-8800108.5I65 F68 F110M1-I65 HydrophobicContact CE-CG2 4.47Å; M1-F68 PolarHBondContact O-N 2.91Å; M1-F68 VanDerWaalsContact O-N 3.08Å; M1-F110 HydrophobicContact SD-CD1 4.29Å; M1-F110 HydrophobicContact SD-CE1 4.02Å
2A67.7Low75.2Confident54 Ų5470.2 Ų70.245%0.44641%0.409SS..EExtended strand (participates in β ladder)trans-119.5135.9175.300000110.6F68 V70 V79A2-F68 CarbonylContact C-O 3.54Å; A2-F68 WeakPolarHBondContact CA-O 3.38Å; A2-F68 HydrophobicContact CB-CB 4.3Å; A2-V70 HydrophobicContact CB-CG2 3.63Å; A2-V79 HydrophobicContact CB-CG2 4.29Å
3A74.5Confident75.7Confident43 Ų4366.3 Ų66.336%0.35539%0.386SS..EExtended strand (participates in β ladder)trans-104.6143.2174.600000110.1I5 F68 F69 V70A3-I5 PolarHBondContact O-N 2.89Å; A3-F68 PolarHBondContact N-O 3.12Å; A3-F69 HydrophobicContact CB-CD1 4.07Å; A3-F69 HydrophobicContact CB-CE1 4.05Å; A3-F69 CarbonylContact O-C 3.52Å; A3-F69 WeakPolarHBondContact O-CA 3.38Å; A3-V70 PolarHBondContact O-N 2.73Å
4S76.7Confident76.1Confident18 Ų1867.7 Ų67.713%0.12639%0.387CS..EExtended strand (participates in β ladder)trans-59.8135.1171.9-179.40000110.3S6 L7S4-S6 PolarHBondContact O-N 3.42Å; S4-S6 VanDerWaalsContact O-N 3.16Å; S4-S6 PolarHBondContact OG-N 3.1Å; S4-S6 PolarHBondContact OG-OG 3.46Å; S4-L7 WeakPolarHBondContact O-CB 3.36Å; S4-L7 PolarHBondContact O-N 3.34Å
5I75.5Confident76.6Confident17 Ų1766.7 Ų66.79%0.08739%0.39CS..G310 helixtrans-57.3-29175-168.462.5000112.2A3 L7 Y8 Q49 P50 F69 V70 Y71A3-I5 PolarHBondContact O-N 2.89Å; I5-L7 PolarHBondContact O-N 2.87Å; I5-Y8 VanDerWaalsContact O-CB 3.26Å; I5-Y8 WeakPolarHBondContact O-CB 3.42Å; I5-Y8 PolarHBondContact O-N 2.05Å; I5-Y8 VanDerWaalsContact O-N 3.08Å; I5-Q49 HydrophobicContact CD1-CG 4.46Å; I5-Q49 HydrophobicContact CG1-CG 4.26Å; I5-P50 HydrophobicContact CD1-CB 3.62Å; I5-P50 HydrophobicContact CD1-CG 3.42Å; I5-P50 VanDerWaalsContact CD1-CG 3.42Å; I5-F69 HydrophobicContact CD1-CB 4.31Å; I5-V70 WeakPolarHBondContact CB-O 3.32Å; I5-V70 WeakPolarHBondContact CG2-O 3.44Å; I5-V70 PolarHBondContact N-O 3.36Å; I5-Y71 HydrophobicContact CB-CD1 4.26Å; I5-Y71 HydrophobicContact CB-CE1 4.45Å; I5-Y71 HydrophobicContact CD1-CD1 4.4Å; I5-Y71 HydrophobicContact CD1-CE1 3.77Å; I5-Y71 HydrophobicContact CG1-CD1 4.07Å; I5-Y71 HydrophobicContact CG1-CE1 3.92Å; I5-Y71 HydrophobicContact CG2-CD1 4.46Å
6S71.5Confident77.2Confident94 Ų9463.3 Ų63.366%0.65737%0.37SS*.G310 helixtrans-65.2-17.117662.10000113.8S4S4-S6 PolarHBondContact O-N 3.42Å; S4-S6 VanDerWaalsContact O-N 3.16Å; S4-S6 PolarHBondContact OG-N 3.1Å; S4-S6 PolarHBondContact OG-OG 3.46Å
7L76.4Confident77.5Confident115 Ų11562.2 Ų62.260%0.60237%0.366SS*.G310 helixtrans-99.60.4177.3-58.6176.4000112.3S4 I5 K9S4-L7 WeakPolarHBondContact O-CB 3.36Å; S4-L7 PolarHBondContact O-N 3.34Å; I5-L7 PolarHBondContact O-N 2.87Å; L7-K9 PolarHBondContact O-N 2.78Å
8Y80.9Confident77.9Confident23 Ų2367.2 Ų67.29%0.0938%0.383CS..  trans-64.4126.2178.8179.5-94.8000110.5I5 L12 I13 F48 P50 L54 F69I5-Y8 VanDerWaalsContact O-CB 3.26Å; I5-Y8 WeakPolarHBondContact O-CB 3.42Å; I5-Y8 PolarHBondContact O-N 2.05Å; I5-Y8 VanDerWaalsContact O-N 3.08Å; Y8-L12 HydrophobicContact CD2-CD2 4.13Å; Y8-L12 HydrophobicContact CE2-CB 4.38Å; Y8-L12 HydrophobicContact CE2-CD2 4.07Å; Y8-I13 WeakPolarHBondContact OH-CD1 3.13Å; Y8-F48 WeakPolarHBondContact CE1-O 3.29Å; Y8-P50 HydrophobicContact CD1-CG 3.87Å; Y8-P50 HydrophobicContact CD2-CG 3.71Å; Y8-P50 HydrophobicContact CE1-CG 3.94Å; Y8-P50 HydrophobicContact CE2-CG 3.8Å; Y8-P50 HydrophobicContact CG-CG 3.74Å; Y8-L54 HydrophobicContact CD2-CD2 4.19Å; Y8-L54 HydrophobicContact CE2-CD2 3.67Å; Y8-F69 HydrophobicContact CD2-CD1 4.38Å; Y8-F69 AromaticContact CD2-CE1 3.65Å; Y8-F69 HydrophobicContact CD2-CE1 3.65Å; Y8-F69 AromaticContact CD2-CZ 3.74Å; Y8-F69 HydrophobicContact CD2-CZ 3.74Å; Y8-F69 HydrophobicContact CE2-CZ 4.19Å; Y8-F69 HydrophobicContact CG-CE1 4.49Å
9K81.4Confident78.4Confident143 Ų14365.8 Ų65.862%0.62237%0.374SS*.  trans-99.9128.9172.2-66.9-172.3178-1780109.4L7 S11 L12L7-K9 PolarHBondContact O-N 2.78Å; K9-S11 PolarHBondContact O-N 3.26Å; K9-S11 VanDerWaalsContact O-N 3.09Å; K9-L12 WeakPolarHBondContact O-CB 3.49Å; K9-L12 PolarHBondContact O-N 3.07Å
10P75.8Confident78.9Confident72 Ų7267.5 Ų67.547%0.46839%0.39SS..THydrogen-bonded Turntrans-52.4-32.3174.4-31.537.7000114.3L12 F48P10-L12 PolarHBondContact O-N 2.76Å; P10-F48 HydrophobicContact CB-CB 4.16Å; P10-F48 HydrophobicContact CG-CB 4.45Å
11S80.1Confident79.4Confident71 Ų7173 Ų7350%0.49740%0.404SS..THydrogen-bonded Turntrans-74.9-7.1177.862.50000114.3K9 I13 H14 A15K9-S11 PolarHBondContact O-N 3.26Å; K9-S11 VanDerWaalsContact O-N 3.09Å; S11-I13 PolarHBondContact O-N 3.38Å; S11-H14 WeakPolarHBondContact O-CB 3.4Å; S11-H14 PolarHBondContact O-N 2.75Å; S11-A15 WeakPolarHBondContact O-CB 3.36Å; S11-A15 PolarHBondContact O-N 2.86Å
12L83.2Confident81Confident51 Ų5169 Ų6927%0.26739%0.386SS..Hα-helixtrans-59.5-49.8-172.917861.8000112.1Y8 K9 P10 H14 A15 L16 L56 F69Y8-L12 HydrophobicContact CD2-CD2 4.13Å; Y8-L12 HydrophobicContact CE2-CB 4.38Å; Y8-L12 HydrophobicContact CE2-CD2 4.07Å; K9-L12 WeakPolarHBondContact O-CB 3.49Å; K9-L12 PolarHBondContact O-N 3.07Å; P10-L12 PolarHBondContact O-N 2.76Å; L12-H14 VanDerWaalsContact C-N 3.27Å; L12-H14 PolarHBondContact O-N 3.49Å; L12-A15 PolarHBondContact O-N 3.48Å; L12-L16 HydrophobicContact CD1-CD1 3.95Å; L12-L16 HydrophobicContact CD1-CG 4.08Å; L12-L16 HydrophobicContact CG-CD1 4.02Å; L12-L16 WeakPolarHBondContact O-CB 3.2Å; L12-L16 WeakPolarHBondContact O-CG 3.34Å; L12-L16 PolarHBondContact O-N 2.96Å; L12-L56 HydrophobicContact CD2-CD1 3.78Å; L12-L56 HydrophobicContact CG-CD1 4.21Å; L12-F69 HydrophobicContact CD2-CE1 4.46Å; L12-F69 HydrophobicContact CD2-CZ 3.92Å
13I82.2Confident81.9Confident20 Ų2074.6 Ų74.610%0.10340%0.395CS..Hα-helixtrans-60.8-41.8178.8-64.2175.3000110.2Y8 S11 L16 S17 L24 V27 V31 L56 F167Y8-I13 WeakPolarHBondContact OH-CD1 3.13Å; S11-I13 PolarHBondContact O-N 3.38Å; I13-L16 PolarHBondContact O-N 3.13Å; I13-S17 WeakPolarHBondContact O-CB 3.07Å; I13-S17 PolarHBondContact O-N 2.88Å; I13-L24 HydrophobicContact CG2-CD2 4.07Å; I13-V27 HydrophobicContact CD1-CG1 4.19Å; I13-V27 HydrophobicContact CG2-CG2 4.27Å; I13-V31 HydrophobicContact CD1-CG2 3.94Å; I13-L56 HydrophobicContact CD1-CD2 4.34Å; I13-L56 HydrophobicContact CG1-CD2 4.05Å; I13-F167 HydrophobicContact CG2-CE1 4.08Å; I13-F167 HydrophobicContact CG2-CZ 4.04Å
14H81.1Confident82.6Confident86 Ų8673.3 Ų73.340%0.39838%0.382SS..Hα-helixtrans-64.1-43.7176.9-173.473.2000112.3S11 L12 S17 K18S11-H14 WeakPolarHBondContact O-CB 3.4Å; S11-H14 PolarHBondContact O-N 2.75Å; L12-H14 VanDerWaalsContact C-N 3.27Å; L12-H14 PolarHBondContact O-N 3.49Å; H14-S17 PolarHBondContact O-N 2.94Å; H14-S17 PolarHBondContact O-OG 3.11Å; H14-K18 WeakPolarHBondContact CE1-CE 3.43Å; H14-K18 PolarHBondContact CE1-NZ 3.07Å; H14-K18 VanDerWaalsContact NE2-CE 3.31Å; H14-K18 WeakPolarHBondContact NE2-CE 2.98Å; H14-K18 PolarHBondContact NE2-NZ 3.27Å; H14-K18 PolarHBondContact O-N 3.47Å
15A83.6Confident83.1Confident53 Ų5376.4 Ų76.444%0.43839%0.392SS..Hα-helixtrans-61.8-48177.100000111.1S11 L12 S17 K18 D19S11-A15 WeakPolarHBondContact O-CB 3.36Å; S11-A15 PolarHBondContact O-N 2.86Å; L12-A15 PolarHBondContact O-N 3.48Å; A15-S17 VanDerWaalsContact C-N 3.3Å; A15-S17 PolarHBondContact O-N 2.99Å; A15-K18 PolarHBondContact O-N 2.87Å; A15-K18 VanDerWaalsContact O-N 3.11Å; A15-D19 PolarHBondContact O-N 3.23Å
16L85.8Confident83.7Confident12 Ų1277.2 Ų77.26%0.06339%0.394CS..Hα-helixtrans-65.4-31177.8-68.5174.9000113L12 I13 K18 L22 L24 L56 V58L12-L16 HydrophobicContact CD1-CD1 3.95Å; L12-L16 HydrophobicContact CD1-CG 4.08Å; L12-L16 HydrophobicContact CG-CD1 4.02Å; L12-L16 WeakPolarHBondContact O-CB 3.2Å; L12-L16 WeakPolarHBondContact O-CG 3.34Å; L12-L16 PolarHBondContact O-N 2.96Å; I13-L16 PolarHBondContact O-N 3.13Å; L16-K18 PolarHBondContact O-N 3.09Å; L16-L22 HydrophobicContact CD2-CB 3.98Å; L16-L22 HydrophobicContact CD2-CD1 4.17Å; L16-L24 HydrophobicContact CB-CB 4.24Å; L16-L24 HydrophobicContact CB-CD1 4.32Å; L16-L24 HydrophobicContact CD1-CD1 4.4Å; L16-L24 PolarHBondContact O-N 3.43Å; L16-L56 HydrophobicContact CD1-CD1 4Å; L16-V58 HydrophobicContact CD1-CG1 3.98Å; L16-V58 HydrophobicContact CD2-CG1 4.12Å; L16-V58 HydrophobicContact CG-CG1 4.49Å
17S83.1Confident84.5Confident45 Ų4572.9 Ų72.932%0.31536%0.363SS..Hα-helixtrans-66.9-20.1175.473.10000113.3I13 H14 A15I13-S17 WeakPolarHBondContact O-CB 3.07Å; I13-S17 PolarHBondContact O-N 2.88Å; H14-S17 PolarHBondContact O-N 2.94Å; H14-S17 PolarHBondContact O-OG 3.11Å; A15-S17 VanDerWaalsContact C-N 3.3Å; A15-S17 PolarHBondContact O-N 2.99Å
18K85.3Confident85Confident152 Ų15267.4 Ų67.466%0.66134%0.335SS*.Hα-helixtrans-111.4-10.7-177.8-69.6-179.7169.9178.60113.9H14 A15 L16 S20H14-K18 WeakPolarHBondContact CE1-CE 3.43Å; H14-K18 PolarHBondContact CE1-NZ 3.07Å; H14-K18 VanDerWaalsContact NE2-CE 3.31Å; H14-K18 WeakPolarHBondContact NE2-CE 2.98Å; H14-K18 PolarHBondContact NE2-NZ 3.27Å; H14-K18 PolarHBondContact O-N 3.47Å; A15-K18 PolarHBondContact O-N 2.87Å; A15-K18 VanDerWaalsContact O-N 3.11Å; L16-K18 PolarHBondContact O-N 3.09Å; K18-S20 PolarHBondContact O-N 3.34Å
19D87.2Confident85.2Confident41 Ų4166.4 Ų66.422%0.21933%0.331CS..  trans-78.5122.4-178.4-165.6-55.3000109.9A15 R21 L22A15-D19 PolarHBondContact O-N 3.23Å; D19-R21 VanDerWaalsContact C-N 3.3Å; D19-R21 PolarHBondContact O-N 2.91Å; D19-R21 WeakPolarHBondContact OD1-CA 3.45Å; D19-R21 WeakPolarHBondContact OD1-CB 3.46Å; D19-R21 PolarHBondContact OD1-N 3.48Å; D19-R21 IonicContact OD1-NE 3.46Å; D19-R21 PolarHBondContact OD1-NE 3.29Å; D19-R21 IonicContact OD2-CZ 3.86Å; D19-R21 IonicContact OD2-NE 3.68Å; D19-R21 IonicContact OD2-NH2 3.1Å; D19-R21 PolarHBondContact OD2-NH2 3.47Å; D19-R21 VanDerWaalsContact OD2-NH2 3.1Å; D19-L22 CarbonylContact O-C 3.58Å; D19-L22 PolarHBondContact OD1-N 2.9Å; D19-L22 VanDerWaalsContact OD1-N 3.07Å
20S87Confident84.9Confident99 Ų9963.2 Ų63.269%0.69232%0.317SS*.SBendtrans-74.8-19.8-179.4580000113.5K18K18-S20 PolarHBondContact O-N 3.34Å
21R91.2Very high84.6Confident182 Ų18262 Ų6269%0.68731%0.308SS*.SBendtrans-89.1-37.7-179.5-51.5171.9-64.8171.71.3111.5D19 A60D19-R21 VanDerWaalsContact C-N 3.3Å; D19-R21 PolarHBondContact O-N 2.91Å; D19-R21 WeakPolarHBondContact OD1-CA 3.45Å; D19-R21 WeakPolarHBondContact OD1-CB 3.46Å; D19-R21 PolarHBondContact OD1-N 3.48Å; D19-R21 IonicContact OD1-NE 3.46Å; D19-R21 PolarHBondContact OD1-NE 3.29Å; D19-R21 IonicContact OD2-CZ 3.86Å; D19-R21 IonicContact OD2-NE 3.68Å; D19-R21 IonicContact OD2-NH2 3.1Å; D19-R21 PolarHBondContact OD2-NH2 3.47Å; D19-R21 VanDerWaalsContact OD2-NH2 3.1Å; R21-A60 WeakPolarHBondContact O-CA 3.33Å
22L89.9Confident83.7Confident59 Ų5962.7 Ų62.731%0.30931%0.306SS..EExtended strand (participates in β ladder)trans-115.984176.3-66.3179.4000109.8L16 D19 L24 V58 Y59 A60L16-L22 HydrophobicContact CD2-CB 3.98Å; L16-L22 HydrophobicContact CD2-CD1 4.17Å; D19-L22 CarbonylContact O-C 3.58Å; D19-L22 PolarHBondContact OD1-N 2.9Å; D19-L22 VanDerWaalsContact OD1-N 3.07Å; L22-L24 PolarHBondContact O-N 3.08Å; L22-V58 HydrophobicContact CB-CB 4.48Å; L22-V58 HydrophobicContact CD2-CG2 4.17Å; L22-Y59 WeakPolarHBondContact CA-O 3.44Å; L22-A60 HydrophobicContact CD2-CB 3.79Å
23R88Confident82.3Confident170 Ų17062.8 Ų62.864%0.64232%0.315SS*.EExtended strand (participates in β ladder)trans-74.8115.2-178.6-63.7-177.8-178.2-173.8-2109.8Y25 V58 Y59R23-Y25 PolarHBondContact O-N 3.32Å; R23-V58 CarbonylContact O-C 3.51Å; R23-V58 VanDerWaalsContact O-CA 3.24Å; R23-V58 WeakPolarHBondContact O-CA 3.24Å; R23-Y59 PolarHBondContact N-O 2.98Å; R23-Y59 PolarHBondContact O-N 3.44Å
24L88.4Confident80.9Confident16 Ų1665.4 Ų65.48%0.08433%0.328CS..EExtended strand (participates in β ladder)trans-57.6129171.5-169.765.8000109.9I13 L16 L22 V27 V58 A164I13-L24 HydrophobicContact CG2-CD2 4.07Å; L16-L24 HydrophobicContact CB-CB 4.24Å; L16-L24 HydrophobicContact CB-CD1 4.32Å; L16-L24 HydrophobicContact CD1-CD1 4.4Å; L16-L24 PolarHBondContact O-N 3.43Å; L22-L24 PolarHBondContact O-N 3.08Å; L24-V27 HydrophobicContact CD1-CG2 4.16Å; L24-V27 HydrophobicContact CD2-CG2 3.85Å; L24-V27 HydrophobicContact CG-CG2 4.34Å; L24-V58 HydrophobicContact CD1-CG1 4.13Å; L24-A164 VanDerWaalsContact C-CB 3.41Å; L24-A164 HydrophobicContact CB-CB 3.91Å; L24-A164 HydrophobicContact CD2-CB 4.09Å; L24-A164 HydrophobicContact CG-CB 3.78Å; L24-A164 WeakPolarHBondContact O-CB 3.36Å
25Y88.1Confident79.4Confident83 Ų8364.1 Ų64.133%0.32533%0.328SS..EExtended strand (participates in β ladder)trans-101.7-52.7178176.8-113.7000111.3R23 S57 Y59 A164R23-Y25 PolarHBondContact O-N 3.32Å; Y25-S57 WeakPolarHBondContact CB-O 3.4Å; Y25-S57 PolarHBondContact N-O 2.92Å; Y25-Y59 HydrophobicContact CD1-CE2 4.33Å; Y25-Y59 HydrophobicContact CD2-CD2 4.11Å; Y25-Y59 AromaticContact CD2-CE2 3.48Å; Y25-Y59 HydrophobicContact CD2-CE2 3.48Å; Y25-Y59 VanDerWaalsContact CD2-CE2 3.48Å; Y25-Y59 HydrophobicContact CE2-CE2 4.05Å; Y25-Y59 HydrophobicContact CG-CD2 4.14Å; Y25-Y59 AromaticContact CG-CE2 3.62Å; Y25-Y59 HydrophobicContact CG-CE2 3.62Å; Y25-A164 VanDerWaalsContact O-CB 3.3Å; Y25-A164 WeakPolarHBondContact O-CB 3.49Å; Y25-A164 PolarHBondContact O-N 3.2Å
26W88.2Confident77.6Confident34 Ų3464.9 Ų64.913%0.12933%0.325CS..EExtended strand (participates in β ladder)trans-148.3164.4174.268.124.5000111.5L28 E55 S57 P84 F161 Q162W26-L28 HydrophobicContact CD2-CD1 4.3Å; W26-L28 HydrophobicContact CD2-CD2 4.25Å; W26-L28 HydrophobicContact CD2-CG 4.25Å; W26-L28 HydrophobicContact CG-CD2 4.32Å; W26-L28 HydrophobicContact CG-CG 4.23Å; W26-L28 HydrophobicContact CZ2-CD1 3.86Å; W26-E55 PolarHBondContact NE1-OE1 3.14Å; W26-E55 VanDerWaalsContact NE1-OE1 3.08Å; W26-S57 PolarHBondContact N-O 2.81Å; W26-S57 VanDerWaalsContact NE1-CB 3.35Å; W26-S57 PolarHBondContact NE1-OG 2.8Å; W26-S57 PolarHBondContact O-N 3.18Å; W26-S57 VanDerWaalsContact O-N 3.17Å; W26-P84 HydrophobicContact CH2-CB 4.48Å; W26-P84 HydrophobicContact CH2-CG 3.89Å; W26-P84 HydrophobicContact CZ2-CG 4.39Å; W26-F161 HydrophobicContact CD2-CE2 4.33Å; W26-F161 AromaticContact CE3-CE2 3.54Å; W26-F161 HydrophobicContact CE3-CE2 3.54Å; W26-F161 AromaticContact CE3-CZ 3.86Å; W26-F161 HydrophobicContact CE3-CZ 3.86Å; W26-F161 AromaticContact CZ3-CE2 3.82Å; W26-F161 HydrophobicContact CZ3-CE2 3.82Å; W26-F161 HydrophobicContact CZ3-CZ 4.28Å; W26-Q162 CarbonylContact C-O 3.57Å; W26-Q162 VanDerWaalsContact CA-O 3.28Å; W26-Q162 WeakPolarHBondContact CA-O 3.09Å; W26-Q162 WeakPolarHBondContact CB-O 3.46Å
27V88.4Confident75.5Confident3 Ų374.5 Ų74.52%0.01836%0.361CS..EExtended strand (participates in β ladder)trans-124.5123.7168.9-179.90000106.2I13 L24 L54 L56 Q162 F167I13-V27 HydrophobicContact CD1-CG1 4.19Å; I13-V27 HydrophobicContact CG2-CG2 4.27Å; L24-V27 HydrophobicContact CD1-CG2 4.16Å; L24-V27 HydrophobicContact CD2-CG2 3.85Å; L24-V27 HydrophobicContact CG-CG2 4.34Å; V27-L54 HydrophobicContact CG1-CD1 3.8Å; V27-L56 HydrophobicContact CB-CD2 4.17Å; V27-L56 HydrophobicContact CG1-CD2 3.81Å; V27-L56 HydrophobicContact CG2-CD2 3.78Å; V27-Q162 HydrophobicContact CB-CB 4.4Å; V27-Q162 PolarHBondContact N-O 3.07Å; V27-Q162 PolarHBondContact O-N 3.46Å; V27-F167 HydrophobicContact CB-CE2 4.44Å; V27-F167 HydrophobicContact CG2-CE2 3.99Å; V27-F167 HydrophobicContact CG2-CZ 4.44Å
28L87.1Confident73.5Confident0 Ų079.9 Ų79.90%038%0.379CS..EExtended strand (participates in β ladder)trans-116.9130.1173.2-52.9-177.1000108.8W26 L54 E55 M82 P84 V160 F161W26-L28 HydrophobicContact CD2-CD1 4.3Å; W26-L28 HydrophobicContact CD2-CD2 4.25Å; W26-L28 HydrophobicContact CD2-CG 4.25Å; W26-L28 HydrophobicContact CG-CD2 4.32Å; W26-L28 HydrophobicContact CG-CG 4.23Å; W26-L28 HydrophobicContact CZ2-CD1 3.86Å; L28-L54 CarbonylContact O-C 3.6Å; L28-L54 VanDerWaalsContact O-CA 3.28Å; L28-L54 WeakPolarHBondContact O-CA 3.2Å; L28-L54 WeakPolarHBondContact O-CD1 3.31Å; L28-E55 HydrophobicContact CB-CB 4.17Å; L28-E55 PolarHBondContact N-O 3.37Å; L28-E55 PolarHBondContact O-N 2.9Å; L28-M82 HydrophobicContact CB-CE 3.54Å; L28-M82 HydrophobicContact CB-SD 3.76Å; L28-M82 HydrophobicContact CD1-CE 4.42Å; L28-M82 HydrophobicContact CD1-CG 3.88Å; L28-M82 HydrophobicContact CD1-SD 3.74Å; L28-M82 HydrophobicContact CD2-SD 4.33Å; L28-M82 HydrophobicContact CG-SD 4.18Å; L28-P84 HydrophobicContact CD1-CG 4.3Å; L28-V160 CarbonylContact C-O 3.51Å; L28-V160 VanDerWaalsContact CA-O 3.29Å; L28-V160 WeakPolarHBondContact CA-O 3.03Å; L28-F161 HydrophobicContact CD2-CB 4.22Å; L28-F161 HydrophobicContact CD2-CD2 3.1Å; L28-F161 HydrophobicContact CD2-CE2 3.62Å; L28-F161 HydrophobicContact CD2-CG 3.96Å
29G84.3Confident71.6Confident2 Ų279.6 Ų79.62%0.02139%0.385CS..EExtended strand (participates in β ladder)trans122.4177.5177.700000112.8V160G29-V160 PolarHBondContact N-O 2.92Å
30K75.1Confident69.5Low76 Ų7687.6 Ų87.633%0.3342%0.418SS..EExtended strand (participates in β ladder)trans-103123.1178.1-64.7-179.1-173170.20109.7L32 P50 S51 E156 V160K30-L32 HydrophobicContact CB-CD2 4.48Å; K30-P50 WeakPolarHBondContact O-CA 3.37Å; K30-S51 WeakPolarHBondContact CB-OG 3.36Å; K30-S51 PolarHBondContact O-N 3.25Å; K30-E156 WeakPolarHBondContact CE-OE1 3.2Å; K30-E156 IonicContact NZ-OE1 2.63Å; K30-E156 PolarHBondContact NZ-OE1 3.37Å; K30-V160 HydrophobicContact CG-CG2 3.89Å
31V69.4Low68Low46 Ų4687.6 Ų87.628%0.27942%0.418SS..EExtended strand (participates in β ladder)trans-101.7106.4161.8-174.80000106.6I13 F48 L54I13-V31 HydrophobicContact CD1-CG2 3.94Å; V31-F48 HydrophobicContact CG1-CB 3.78Å; V31-F48 HydrophobicContact CG1-CD1 4.28Å; V31-L54 HydrophobicContact CG2-CD1 4.08Å; V31-L54 HydrophobicContact CG2-CD2 4.32Å
32L61.9Low66.4Low87 Ų8785.5 Ų85.546%0.45543%0.425SS..EExtended strand (participates in β ladder)trans-86.6138.4179.3-64.5-177.7000109.5K30 I34 F48 Q49K30-L32 HydrophobicContact CB-CD2 4.48Å; L32-I34 PolarHBondContact O-N 3.22Å; L32-F48 VanDerWaalsContact O-CA 3.32Å; L32-F48 WeakPolarHBondContact O-CA 3.26Å; L32-Q49 PolarHBondContact N-O 3.27Å; L32-Q49 PolarHBondContact O-N 3.32Å
33A53.8Low64.7Low53 Ų5386.5 Ų86.544%0.43844%0.437SS..EExtended strand (participates in β ladder)trans-76.2110161.300000107.8F46 F48A33-F46 HydrophobicContact CB-CD1 4.12Å; A33-F48 HydrophobicContact CB-CD1 3.95Å; A33-F48 HydrophobicContact CB-CE1 3.52Å; A33-F48 HydrophobicContact CB-CZ 4Å
34I51.9Low62.9Low74 Ų7481.6 Ų81.638%0.37943%0.426SS..EExtended strand (participates in β ladder)trans-92.8114.5172.4-56.7176.6000106.8L32 F46 Y47 Q49L32-I34 PolarHBondContact O-N 3.22Å; I34-F46 CarbonylContact O-C 3.54Å; I34-F46 WeakPolarHBondContact O-CA 3.39Å; I34-Y47 WeakPolarHBondContact CA-O 3.31Å; I34-Y47 WeakPolarHBondContact CB-O 3.34Å; I34-Y47 PolarHBondContact N-O 2.68Å; I34-Y47 PolarHBondContact O-N 3.09Å; I34-Q49 HydrophobicContact CD1-CB 3.72Å
35S49.3Very low60.9Low59 Ų5988 Ų8841%0.41345%0.45SS..EExtended strand (participates in β ladder)trans-80.1122.7166.654.30000109
36D45.2Very low59Low70 Ų7090 Ų9037%0.37446%0.46SS..EExtended strand (participates in β ladder)trans-89.9109.2169.2-153.1-1.1000108.3K38 Y45 Y47D36-K38 PolarHBondContact O-N 2.88Å; D36-K38 VanDerWaalsContact O-N 3.15Å; D36-Y45 PolarHBondContact N-O 3.38Å; D36-Y45 VanDerWaalsContact N-O 3.1Å; D36-Y47 HydrophobicContact CB-CD2 4.1Å; D36-Y47 HydrophobicContact CB-CE2 3.89Å
37W42.4Very low57.2Low213 Ų21394.3 Ų94.381%0.80748%0.478SS*.  trans-8749.1174.4-153.6-71.9000109.7N39 V44W37-N39 PolarHBondContact O-N 3.36Å; W37-V44 HydrophobicContact CZ3-CG2 4.44Å
38K42Very low55.8Low158 Ų15898.9 Ų98.969%0.68750%0.497SS*.  trans-93.6105.2173.8-85.7-175.1177.7178.80109.9D36D36-K38 PolarHBondContact O-N 2.88Å; D36-K38 VanDerWaalsContact O-N 3.15Å
39N44.9Very low54.6Low147 Ų147102.9 Ų102.979%0.78652%0.516SS*.SBendtrans83.2116.9162.8-52.9-32.4000116W37W37-N39 PolarHBondContact O-N 3.36Å
40F43.3Very low54.1Low209 Ų209103 Ų10392%0.91752%0.516SS*.SBendtrans-19.8136.3166.9-127.8-111.3000116.1
41S55.1Low54Low99 Ų99101.8 Ų101.869%0.69252%0.518SS*.SBendtrans92.295.3168.3-138.30000117.2S43S41-S43 PolarHBondContact O-N 2.81Å
42T57.8Low54.6Low137 Ų137101 Ų10184%0.8451%0.512SS*.SBendtrans69.33.8150.268.20000122.9
43S53.5Low55.7Low80 Ų8096.8 Ų96.856%0.55949%0.49SS*.  trans-141.1109.6170.3-72.20000114.1S41 Y45S41-S43 PolarHBondContact O-N 2.81Å; S43-Y45 PolarHBondContact O-N 3.19Å
44V49.7Very low57.4Low67 Ų6794.3 Ų94.341%0.40647%0.469SS..  trans-81.4110.7169.1179.80000108.3W37 F46W37-V44 HydrophobicContact CZ3-CG2 4.44Å; V44-F46 HydrophobicContact CB-CE2 4.24Å; V44-F46 HydrophobicContact CG1-CD2 4.23Å; V44-F46 HydrophobicContact CG1-CE1 4.24Å; V44-F46 HydrophobicContact CG1-CE2 3.73Å; V44-F46 HydrophobicContact CG1-CZ 3.74Å
45Y46.5Very low59.2Low151 Ų15191.3 Ų91.359%0.59245%0.453SS*.EExtended strand (participates in β ladder)trans-85123.6171.7-70.3-84.1000109.8D36 S43D36-Y45 PolarHBondContact N-O 3.38Å; D36-Y45 VanDerWaalsContact N-O 3.1Å; S43-Y45 PolarHBondContact O-N 3.19Å
46F49Very low61.2Low124 Ų12488.5 Ų88.554%0.54443%0.434SS..EExtended strand (participates in β ladder)trans-96.5117.8172.5-66.6-86.4000109.8A33 I34 V44 F48A33-F46 HydrophobicContact CB-CD1 4.12Å; I34-F46 CarbonylContact O-C 3.54Å; I34-F46 WeakPolarHBondContact O-CA 3.39Å; V44-F46 HydrophobicContact CB-CE2 4.24Å; V44-F46 HydrophobicContact CG1-CD2 4.23Å; V44-F46 HydrophobicContact CG1-CE1 4.24Å; V44-F46 HydrophobicContact CG1-CE2 3.73Å; V44-F46 HydrophobicContact CG1-CZ 3.74Å; F46-F48 HydrophobicContact CB-CE2 4.43Å
47Y49.7Very low63.4Low126 Ų12685.1 Ų85.149%0.49442%0.416SS..EExtended strand (participates in β ladder)trans-99126.7170.3-62-82.4000109.2I34 D36I34-Y47 WeakPolarHBondContact CA-O 3.31Å; I34-Y47 WeakPolarHBondContact CB-O 3.34Å; I34-Y47 PolarHBondContact N-O 2.68Å; I34-Y47 PolarHBondContact O-N 3.09Å; D36-Y47 HydrophobicContact CB-CD2 4.1Å; D36-Y47 HydrophobicContact CB-CE2 3.89Å
48F59.2Low65.8Low98 Ų9875.1 Ų75.143%0.4338%0.378SS..EExtended strand (participates in β ladder)trans-92107.1176.1-68.8-89.3000109.4Y8 P10 V31 L32 A33 F46Y8-F48 WeakPolarHBondContact CE1-O 3.29Å; P10-F48 HydrophobicContact CB-CB 4.16Å; P10-F48 HydrophobicContact CG-CB 4.45Å; V31-F48 HydrophobicContact CG1-CB 3.78Å; V31-F48 HydrophobicContact CG1-CD1 4.28Å; L32-F48 VanDerWaalsContact O-CA 3.32Å; L32-F48 WeakPolarHBondContact O-CA 3.26Å; A33-F48 HydrophobicContact CB-CD1 3.95Å; A33-F48 HydrophobicContact CB-CE1 3.52Å; A33-F48 HydrophobicContact CB-CZ 4Å; F46-F48 HydrophobicContact CB-CE2 4.43Å
49Q62.7Low68.2Low85 Ų8571.3 Ų71.340%0.39736%0.36SS..EExtended strand (participates in β ladder)trans-117.1134.9175.2-164.2173.9-5.300109.8I5 L32 I34 S51I5-Q49 HydrophobicContact CD1-CG 4.46Å; I5-Q49 HydrophobicContact CG1-CG 4.26Å; L32-Q49 PolarHBondContact N-O 3.27Å; L32-Q49 PolarHBondContact O-N 3.32Å; I34-Q49 HydrophobicContact CD1-CB 3.72Å; Q49-S51 PolarHBondContact O-N 2.9Å
50P73.4Confident70.4Confident3 Ų365.6 Ų65.62%0.01933%0.333CS..EExtended strand (participates in β ladder)trans-60.8123.8169.5-16.326.5000109.2I5 Y8 K30 L54 Y71I5-P50 HydrophobicContact CD1-CB 3.62Å; I5-P50 HydrophobicContact CD1-CG 3.42Å; I5-P50 VanDerWaalsContact CD1-CG 3.42Å; Y8-P50 HydrophobicContact CD1-CG 3.87Å; Y8-P50 HydrophobicContact CD2-CG 3.71Å; Y8-P50 HydrophobicContact CE1-CG 3.94Å; Y8-P50 HydrophobicContact CE2-CG 3.8Å; Y8-P50 HydrophobicContact CG-CG 3.74Å; K30-P50 WeakPolarHBondContact O-CA 3.37Å; P50-L54 HydrophobicContact CB-CB 3.69Å; P50-L54 HydrophobicContact CB-CD2 3.69Å; P50-L54 HydrophobicContact CB-CG 4.27Å; P50-L54 HydrophobicContact CG-CB 4.33Å; P50-L54 HydrophobicContact CG-CD2 3.37Å; P50-L54 HydrophobicContact CG-CG 4.44Å; P50-Y71 HydrophobicContact CB-CE1 4.48Å; P50-Y71 WeakPolarHBondContact CB-OH 3.43Å; P50-Y71 WeakPolarHBondContact O-CE1 3.47Å
51S74.1Confident72.6Confident52 Ų5265.4 Ų65.436%0.36433%0.332SS..EExtended strand (participates in β ladder)trans-88.4-30-175.367.10000112.5K30 Q49K30-S51 WeakPolarHBondContact CB-OG 3.36Å; K30-S51 PolarHBondContact O-N 3.25Å; Q49-S51 PolarHBondContact O-N 2.9Å
52D81.2Confident74.3Confident28 Ų2866 Ų6615%0.1534%0.336CS..EExtended strand (participates in β ladder)trans-165.6135.9-179-167.9-9.2000111.4L54 W78 K89 R91D52-L54 VanDerWaalsContact C-N 3.31Å; D52-L54 PolarHBondContact O-N 3.24Å; D52-W78 HydrophobicContact CB-CH2 4.41Å; D52-W78 WeakPolarHBondContact OD1-CH2 3.18Å; D52-W78 WeakPolarHBondContact OD1-CZ3 3.38Å; D52-K89 VanDerWaalsContact OD2-CE 3.27Å; D52-K89 WeakPolarHBondContact OD2-CE 3.28Å; D52-K89 IonicContact OD2-NZ 3.65Å; D52-K89 PolarHBondContact OD2-NZ 3.1Å; D52-R91 IonicContact OD2-NH2 3.39Å
53S84.7Confident75.9Confident0 Ų063.5 Ų63.50%032%0.321CS..EExtended strand (participates in β ladder)trans49.844.1165.2-56.30000114.8E55 Y71 G80S53-E55 PolarHBondContact O-N 3.23Å; S53-Y71 PolarHBondContact N-OH 2.81Å; S53-G80 WeakPolarHBondContact OG-CA 3.47Å
54L89.4Confident77.8Confident0 Ų063 Ų630%031%0.309CS..EExtended strand (participates in β ladder)trans-70.3128.8172.2-178.968.9000110.2Y8 V27 L28 V31 P50 D52 L56 F69 Y71Y8-L54 HydrophobicContact CD2-CD2 4.19Å; Y8-L54 HydrophobicContact CE2-CD2 3.67Å; V27-L54 HydrophobicContact CG1-CD1 3.8Å; L28-L54 CarbonylContact O-C 3.6Å; L28-L54 VanDerWaalsContact O-CA 3.28Å; L28-L54 WeakPolarHBondContact O-CA 3.2Å; L28-L54 WeakPolarHBondContact O-CD1 3.31Å; V31-L54 HydrophobicContact CG2-CD1 4.08Å; V31-L54 HydrophobicContact CG2-CD2 4.32Å; P50-L54 HydrophobicContact CB-CB 3.69Å; P50-L54 HydrophobicContact CB-CD2 3.69Å; P50-L54 HydrophobicContact CB-CG 4.27Å; P50-L54 HydrophobicContact CG-CB 4.33Å; P50-L54 HydrophobicContact CG-CD2 3.37Å; P50-L54 HydrophobicContact CG-CG 4.44Å; D52-L54 VanDerWaalsContact C-N 3.31Å; D52-L54 PolarHBondContact O-N 3.24Å; L54-L56 HydrophobicContact CD1-CD2 4.02Å; L54-L56 HydrophobicContact CD2-CG 4.49Å; L54-L56 HydrophobicContact CG-CD2 4.37Å; L54-L56 HydrophobicContact CG-CG 4.39Å; L54-F69 HydrophobicContact CB-CD2 3.84Å; L54-F69 HydrophobicContact CB-CE2 4.31Å; L54-F69 HydrophobicContact CD2-CD2 3.73Å; L54-F69 HydrophobicContact CD2-CE2 3.42Å; L54-F69 VanDerWaalsContact CD2-CE2 3.42Å; L54-F69 HydrophobicContact CD2-CZ 4.08Å; L54-F69 HydrophobicContact CG-CD2 3.81Å; L54-F69 HydrophobicContact CG-CE2 3.74Å; L54-F69 WeakPolarHBondContact O-CD2 3.47Å; L54-Y71 WeakPolarHBondContact CB-OH 3.48Å; L54-Y71 PolarHBondContact N-OH 3.36Å
55E90.8Very high79.8Confident11 Ų1162 Ų625%0.05130%0.301CS..EExtended strand (participates in β ladder)trans-128.4131.1169.9174.6-165.9140.900108.1W26 L28 S53 L67 F68W26-E55 PolarHBondContact NE1-OE1 3.14Å; W26-E55 VanDerWaalsContact NE1-OE1 3.08Å; L28-E55 HydrophobicContact CB-CB 4.17Å; L28-E55 PolarHBondContact N-O 3.37Å; L28-E55 PolarHBondContact O-N 2.9Å; S53-E55 PolarHBondContact O-N 3.23Å; E55-L67 VanDerWaalsContact CA-O 3.31Å; E55-L67 WeakPolarHBondContact CA-O 3.44Å; E55-F68 HydrophobicContact CB-CD1 4.01Å; E55-F68 HydrophobicContact CB-CE1 3.91Å; E55-F68 HydrophobicContact CG-CD1 4.02Å; E55-F68 HydrophobicContact CG-CE1 3.57Å; E55-F68 HydrophobicContact CG-CZ 4Å; E55-F68 VanDerWaalsContact OE2-CE1 3.32Å; E55-F68 WeakPolarHBondContact OE2-CE1 3.26Å
56L90.9Very high82Confident0 Ų057.4 Ų57.40%029%0.286CS..EExtended strand (participates in β ladder)trans-115.4121.1172.1-55.9174.7000107.7L12 I13 L16 V27 L54 L67 F69L12-L56 HydrophobicContact CD2-CD1 3.78Å; L12-L56 HydrophobicContact CG-CD1 4.21Å; I13-L56 HydrophobicContact CD1-CD2 4.34Å; I13-L56 HydrophobicContact CG1-CD2 4.05Å; L16-L56 HydrophobicContact CD1-CD1 4Å; V27-L56 HydrophobicContact CB-CD2 4.17Å; V27-L56 HydrophobicContact CG1-CD2 3.81Å; V27-L56 HydrophobicContact CG2-CD2 3.78Å; L54-L56 HydrophobicContact CD1-CD2 4.02Å; L54-L56 HydrophobicContact CD2-CG 4.49Å; L54-L56 HydrophobicContact CG-CD2 4.37Å; L54-L56 HydrophobicContact CG-CG 4.39Å; L56-L67 HydrophobicContact CB-CB 4.26Å; L56-L67 PolarHBondContact N-O 2.6Å; L56-L67 WeakPolarHBondContact O-CB 3.48Å; L56-L67 PolarHBondContact O-N 2.86Å; L56-F69 HydrophobicContact CD1-CE2 3.99Å; L56-F69 HydrophobicContact CD1-CZ 4Å; L56-F69 HydrophobicContact CG-CE2 4.13Å
57S91.7Very high84Confident0 Ų053.7 Ų53.70%027%0.272CS..EExtended strand (participates in β ladder)trans-100.6131.2169.2-65.70000109.9Y25 W26 K64 I65 D66Y25-S57 WeakPolarHBondContact CB-O 3.4Å; Y25-S57 PolarHBondContact N-O 2.92Å; W26-S57 PolarHBondContact N-O 2.81Å; W26-S57 VanDerWaalsContact NE1-CB 3.35Å; W26-S57 PolarHBondContact NE1-OG 2.8Å; W26-S57 PolarHBondContact O-N 3.18Å; W26-S57 VanDerWaalsContact O-N 3.17Å; S57-K64 WeakPolarHBondContact OG-CE 3.39Å; S57-K64 PolarHBondContact OG-NZ 2.9Å; S57-I65 WeakPolarHBondContact CA-O 3.34Å; S57-D66 WeakPolarHBondContact CB-OD1 3.34Å; S57-D66 PolarHBondContact OG-OD1 2.8Å
58V92.7Very high86Confident2 Ų250 Ų501%0.01226%0.258CS..EExtended strand (participates in β ladder)trans-126.5149.6176.5-59.80000109.9L16 L22 R23 L24 I65 L67L16-V58 HydrophobicContact CD1-CG1 3.98Å; L16-V58 HydrophobicContact CD2-CG1 4.12Å; L16-V58 HydrophobicContact CG-CG1 4.49Å; L22-V58 HydrophobicContact CB-CB 4.48Å; L22-V58 HydrophobicContact CD2-CG2 4.17Å; R23-V58 CarbonylContact O-C 3.51Å; R23-V58 VanDerWaalsContact O-CA 3.24Å; R23-V58 WeakPolarHBondContact O-CA 3.24Å; L24-V58 HydrophobicContact CD1-CG1 4.13Å; V58-I65 HydrophobicContact CG2-CB 3.95Å; V58-I65 PolarHBondContact N-O 3.17Å; V58-I65 PolarHBondContact O-N 2.8Å; V58-L67 HydrophobicContact CG2-CD1 4.47Å
59Y91.4Very high87.5Confident78 Ų7845.6 Ų45.631%0.30624%0.239SC..EExtended strand (participates in β ladder)trans-98.6122.7166.9-80.3-80.1000110L22 R23 Y25 T63 K64L22-Y59 WeakPolarHBondContact CA-O 3.44Å; R23-Y59 PolarHBondContact N-O 2.98Å; R23-Y59 PolarHBondContact O-N 3.44Å; Y25-Y59 HydrophobicContact CD1-CE2 4.33Å; Y25-Y59 HydrophobicContact CD2-CD2 4.11Å; Y25-Y59 AromaticContact CD2-CE2 3.48Å; Y25-Y59 HydrophobicContact CD2-CE2 3.48Å; Y25-Y59 VanDerWaalsContact CD2-CE2 3.48Å; Y25-Y59 HydrophobicContact CE2-CE2 4.05Å; Y25-Y59 HydrophobicContact CG-CD2 4.14Å; Y25-Y59 AromaticContact CG-CE2 3.62Å; Y25-Y59 HydrophobicContact CG-CE2 3.62Å; Y59-T63 WeakPolarHBondContact CA-O 2.93Å; Y59-K64 HydrophobicContact CD1-CB 4.1Å; Y59-K64 HydrophobicContact CE1-CB 3.63Å; Y59-K64 HydrophobicContact CE1-CG 4.11Å; Y59-K64 HydrophobicContact CE2-CG 4.45Å
60A91.7Very high88.8Confident27 Ų2742.5 Ų42.522%0.22323%0.226CC..EExtended strand (participates in β ladder)trans-101.1101163.900000107.9R21 L22 S62 T63 I65R21-A60 WeakPolarHBondContact O-CA 3.33Å; L22-A60 HydrophobicContact CD2-CB 3.79Å; A60-S62 PolarHBondContact O-N 3.17Å; A60-S62 VanDerWaalsContact O-N 3.13Å; A60-T63 PolarHBondContact N-O 3.08Å; A60-T63 PolarHBondContact O-N 2.9Å; A60-I65 HydrophobicContact CB-CD1 3.83Å
61K89.6Confident89.7Confident206 Ų20643 Ų4390%0.89623%0.227SC*.THydrogen-bonded Turntrans55.4-114.5-168.8-55.7176179.3177.40110.5
62S89.8Confident90.4Very high110 Ų11043.3 Ų43.377%0.76923%0.225SC*.THydrogen-bonded Turntrans-95.6-2.3177.253.80000113.9A60A60-S62 PolarHBondContact O-N 3.17Å; A60-S62 VanDerWaalsContact O-N 3.13Å
63T92.9Very high90.7Very high85 Ų8546.4 Ų46.452%0.52124%0.242SC..EExtended strand (participates in β ladder)trans-96.1120.5-177.2-54.60000110.4Y59 A60 I65Y59-T63 WeakPolarHBondContact CA-O 2.93Å; A60-T63 PolarHBondContact N-O 3.08Å; A60-T63 PolarHBondContact O-N 2.9Å; T63-I65 HydrophobicContact CG2-CG1 4.35Å
64K92.8Very high90.8Very high71 Ų7153.5 Ų53.531%0.30928%0.279SS..EExtended strand (participates in β ladder)trans-79.2129.5170.2-166.2-172.1177.8-128.80109.5S57 Y59 D66S57-K64 WeakPolarHBondContact OG-CE 3.39Å; S57-K64 PolarHBondContact OG-NZ 2.9Å; Y59-K64 HydrophobicContact CD1-CB 4.1Å; Y59-K64 HydrophobicContact CE1-CB 3.63Å; Y59-K64 HydrophobicContact CE1-CG 4.11Å; Y59-K64 HydrophobicContact CE2-CG 4.45Å; K64-D66 WeakPolarHBondContact CE-OD1 3.2Å; K64-D66 IonicContact NZ-OD1 2.75Å; K64-D66 PolarHBondContact NZ-OD1 3.46Å; K64-D66 IonicContact NZ-OD2 2.62Å; K64-D66 PolarHBondContact NZ-OD2 3.31Å
65I92.3Very high90.9Very high46 Ų4660.5 Ų60.524%0.23632%0.317CS..EExtended strand (participates in β ladder)trans-120.3123.3176.6-56.5171.7000107.9M1 S57 V58 A60 T63 L67M1-I65 HydrophobicContact CE-CG2 4.47Å; S57-I65 WeakPolarHBondContact CA-O 3.34Å; V58-I65 HydrophobicContact CG2-CB 3.95Å; V58-I65 PolarHBondContact N-O 3.17Å; V58-I65 PolarHBondContact O-N 2.8Å; A60-I65 HydrophobicContact CB-CD1 3.83Å; T63-I65 HydrophobicContact CG2-CG1 4.35Å; I65-L67 HydrophobicContact CG2-CD2 3.9Å; I65-L67 HydrophobicContact CG2-CG 4.36Å
66D91.7Very high91.1Very high54 Ų5461.8 Ų61.829%0.28933%0.327SS..EExtended strand (participates in β ladder)trans-98.6117.9174.5-58.5-33.9000108.9S57 K64 F68S57-D66 WeakPolarHBondContact CB-OD1 3.34Å; S57-D66 PolarHBondContact OG-OD1 2.8Å; K64-D66 WeakPolarHBondContact CE-OD1 3.2Å; K64-D66 IonicContact NZ-OD1 2.75Å; K64-D66 PolarHBondContact NZ-OD1 3.46Å; K64-D66 IonicContact NZ-OD2 2.62Å; K64-D66 PolarHBondContact NZ-OD2 3.31Å; D66-F68 HydrophobicContact CB-CE2 3.7Å; D66-F68 HydrophobicContact CB-CZ 3.97Å
67L90.8Very high91.2Very high45 Ų4561.8 Ų61.824%0.23633%0.327CS..EExtended strand (participates in β ladder)trans-102.6124179.4-58.5174.7000109E55 L56 V58 I65E55-L67 VanDerWaalsContact CA-O 3.31Å; E55-L67 WeakPolarHBondContact CA-O 3.44Å; L56-L67 HydrophobicContact CB-CB 4.26Å; L56-L67 PolarHBondContact N-O 2.6Å; L56-L67 WeakPolarHBondContact O-CB 3.48Å; L56-L67 PolarHBondContact O-N 2.86Å; V58-L67 HydrophobicContact CG2-CD1 4.47Å; I65-L67 HydrophobicContact CG2-CD2 3.9Å; I65-L67 HydrophobicContact CG2-CG 4.36Å
68F91.9Very high91.3Very high48 Ų4862.5 Ų62.521%0.21133%0.33CS..EExtended strand (participates in β ladder)trans-112166.6177.1-60.3-85.2000110.7M1 A2 A3 E55 D66 V79 G80M1-F68 PolarHBondContact O-N 2.91Å; M1-F68 VanDerWaalsContact O-N 3.08Å; A2-F68 CarbonylContact C-O 3.54Å; A2-F68 WeakPolarHBondContact CA-O 3.38Å; A2-F68 HydrophobicContact CB-CB 4.3Å; A3-F68 PolarHBondContact N-O 3.12Å; E55-F68 HydrophobicContact CB-CD1 4.01Å; E55-F68 HydrophobicContact CB-CE1 3.91Å; E55-F68 HydrophobicContact CG-CD1 4.02Å; E55-F68 HydrophobicContact CG-CE1 3.57Å; E55-F68 HydrophobicContact CG-CZ 4Å; E55-F68 VanDerWaalsContact OE2-CE1 3.32Å; E55-F68 WeakPolarHBondContact OE2-CE1 3.26Å; D66-F68 HydrophobicContact CB-CE2 3.7Å; D66-F68 HydrophobicContact CB-CZ 3.97Å; F68-V79 HydrophobicContact CB-CG1 3.66Å; F68-V79 HydrophobicContact CD1-CG1 4.39Å; F68-V79 HydrophobicContact CG-CG1 4.18Å; F68-G80 WeakPolarHBondContact CD1-O 3.39Å
69F90.9Very high91.4Very high7 Ų763.1 Ų63.13%0.03133%0.333CS..EExtended strand (participates in β ladder)trans-118.3138.9175.1-64.9-91.1000111.5A3 I5 Y8 L12 L54 L56 Y71A3-F69 HydrophobicContact CB-CD1 4.07Å; A3-F69 HydrophobicContact CB-CE1 4.05Å; A3-F69 CarbonylContact O-C 3.52Å; A3-F69 WeakPolarHBondContact O-CA 3.38Å; I5-F69 HydrophobicContact CD1-CB 4.31Å; Y8-F69 HydrophobicContact CD2-CD1 4.38Å; Y8-F69 AromaticContact CD2-CE1 3.65Å; Y8-F69 HydrophobicContact CD2-CE1 3.65Å; Y8-F69 AromaticContact CD2-CZ 3.74Å; Y8-F69 HydrophobicContact CD2-CZ 3.74Å; Y8-F69 HydrophobicContact CE2-CZ 4.19Å; Y8-F69 HydrophobicContact CG-CE1 4.49Å; L12-F69 HydrophobicContact CD2-CE1 4.46Å; L12-F69 HydrophobicContact CD2-CZ 3.92Å; L54-F69 HydrophobicContact CB-CD2 3.84Å; L54-F69 HydrophobicContact CB-CE2 4.31Å; L54-F69 HydrophobicContact CD2-CD2 3.73Å; L54-F69 HydrophobicContact CD2-CE2 3.42Å; L54-F69 VanDerWaalsContact CD2-CE2 3.42Å; L54-F69 HydrophobicContact CD2-CZ 4.08Å; L54-F69 HydrophobicContact CG-CD2 3.81Å; L54-F69 HydrophobicContact CG-CE2 3.74Å; L54-F69 WeakPolarHBondContact O-CD2 3.47Å; L56-F69 HydrophobicContact CD1-CE2 3.99Å; L56-F69 HydrophobicContact CD1-CZ 4Å; L56-F69 HydrophobicContact CG-CE2 4.13Å; F69-Y71 HydrophobicContact CB-CE2 3.99Å; F69-Y71 VanDerWaalsContact O-CD2 3.3Å; F69-Y71 WeakPolarHBondContact O-CD2 3.5Å; F69-Y71 WeakPolarHBondContact O-CE2 3.39Å
70V91.2Very high91.4Very high19 Ų1959.4 Ų59.412%0.11532%0.319CS..EExtended strand (participates in β ladder)trans-87.8121.2171.9-175.60000108.2A2 A3 I5 V79 I97A2-V70 HydrophobicContact CB-CG2 3.63Å; A3-V70 PolarHBondContact O-N 2.73Å; I5-V70 WeakPolarHBondContact CB-O 3.32Å; I5-V70 WeakPolarHBondContact CG2-O 3.44Å; I5-V70 PolarHBondContact N-O 3.36Å; V70-V79 HydrophobicContact CG2-CG2 3.93Å; V70-I97 HydrophobicContact CG1-CD1 4.13Å
71Y90.9Very high91.4Very high13 Ų1358.1 Ų58.15%0.05131%0.309CS..EExtended strand (participates in β ladder)trans-101.2148.8173.6-61.5-93.3000109.4I5 P50 S53 L54 F69 S77 W78I5-Y71 HydrophobicContact CB-CD1 4.26Å; I5-Y71 HydrophobicContact CB-CE1 4.45Å; I5-Y71 HydrophobicContact CD1-CD1 4.4Å; I5-Y71 HydrophobicContact CD1-CE1 3.77Å; I5-Y71 HydrophobicContact CG1-CD1 4.07Å; I5-Y71 HydrophobicContact CG1-CE1 3.92Å; I5-Y71 HydrophobicContact CG2-CD1 4.46Å; P50-Y71 HydrophobicContact CB-CE1 4.48Å; P50-Y71 WeakPolarHBondContact CB-OH 3.43Å; P50-Y71 WeakPolarHBondContact O-CE1 3.47Å; S53-Y71 PolarHBondContact N-OH 2.81Å; L54-Y71 WeakPolarHBondContact CB-OH 3.48Å; L54-Y71 PolarHBondContact N-OH 3.36Å; F69-Y71 HydrophobicContact CB-CE2 3.99Å; F69-Y71 VanDerWaalsContact O-CD2 3.3Å; F69-Y71 WeakPolarHBondContact O-CD2 3.5Å; F69-Y71 WeakPolarHBondContact O-CE2 3.39Å; Y71-S77 CarbonylContact O-C 3.51Å; Y71-S77 VanDerWaalsContact O-CA 3.24Å; Y71-S77 WeakPolarHBondContact O-CA 3.44Å; Y71-W78 VanDerWaalsContact CB-CZ2 3.41Å; Y71-W78 HydrophobicContact CD1-CH2 4.01Å; Y71-W78 AromaticContact CD1-CZ2 3.97Å; Y71-W78 HydrophobicContact CD1-CZ2 3.97Å; Y71-W78 HydrophobicContact CD2-CD2 4.2Å; Y71-W78 AromaticContact CD2-CE3 3.81Å; Y71-W78 HydrophobicContact CD2-CE3 3.81Å; Y71-W78 AromaticContact CD2-CH2 3.49Å; Y71-W78 HydrophobicContact CD2-CH2 3.49Å; Y71-W78 VanDerWaalsContact CD2-CH2 3.49Å; Y71-W78 AromaticContact CD2-CZ2 3.92Å; Y71-W78 HydrophobicContact CD2-CZ2 3.92Å; Y71-W78 AromaticContact CD2-CZ3 3.44Å; Y71-W78 HydrophobicContact CD2-CZ3 3.44Å; Y71-W78 VanDerWaalsContact CD2-CZ3 3.44Å; Y71-W78 HydrophobicContact CE1-CH2 4.4Å; Y71-W78 AromaticContact CE2-CH2 3.95Å; Y71-W78 HydrophobicContact CE2-CH2 3.95Å; Y71-W78 AromaticContact CE2-CZ3 3.89Å; Y71-W78 HydrophobicContact CE2-CZ3 3.89Å; Y71-W78 HydrophobicContact CG-CD2 4.23Å; Y71-W78 AromaticContact CG-CE2 3.85Å; Y71-W78 HydrophobicContact CG-CE3 4.26Å; Y71-W78 AromaticContact CG-CH2 3.53Å; Y71-W78 HydrophobicContact CG-CH2 3.53Å; Y71-W78 AromaticContact CG-CZ2 3.5Å; Y71-W78 HydrophobicContact CG-CZ2 3.5Å; Y71-W78 VanDerWaalsContact CG-CZ2 3.5Å; Y71-W78 AromaticContact CG-CZ3 3.94Å; Y71-W78 HydrophobicContact CG-CZ3 3.94Å; Y71-W78 PolarHBondContact N-O 3.25Å; Y71-W78 PolarHBondContact O-N 3.38Å
72N89.5Confident91.5Very high60 Ų6048.5 Ų48.532%0.32127%0.267SS..EExtended strand (participates in β ladder)trans-128.8125.5-171.8-76.3-36.3000109.4S77N72-S77 WeakPolarHBondContact OD1-CB 3.13Å; N72-S77 PolarHBondContact OD1-OG 3.16Å
73N87.2Confident91.6Very high93 Ų9343.6 Ų43.650%0.49723%0.232SC..  trans-110179.5165.9-66.810.6000108.8N75 S76 K96N73-N75 VanDerWaalsContact C-N 3.31Å; N73-N75 PolarHBondContact O-N 2.94Å; N73-S76 PolarHBondContact N-O 2.92Å; N73-K96 PolarHBondContact O-NZ 3.1Å
74D86.3Confident91.4Very high148 Ų14841.5 Ų41.579%0.79122%0.22SC*.SBendtrans-57.8-42.4-175.1-61.4-33.2000112.9
75N92Very high91.2Very high148 Ų14843.2 Ų43.279%0.79124%0.241SC*.SBendtrans-106.7-12.3-171.6-63.2-17.3000114.8N73N73-N75 VanDerWaalsContact C-N 3.31Å; N73-N75 PolarHBondContact O-N 2.94Å
76S94.2Very high91.2Very high37 Ų3744.5 Ų44.526%0.25925%0.246SC..EExtended strand (participates in β ladder)trans-150.5160.7-172.561.30000112.4N73 Y94N73-S76 PolarHBondContact N-O 2.92Å; S76-Y94 WeakPolarHBondContact CB-O 3.48Å
77S94.2Very high91.3Very high0 Ų045.8 Ų45.80%025%0.246CC..EExtended strand (participates in β ladder)trans-113.2154.1169.3-62.80000108.7Y71 N72 Y94 I97Y71-S77 CarbonylContact O-C 3.51Å; Y71-S77 VanDerWaalsContact O-CA 3.24Å; Y71-S77 WeakPolarHBondContact O-CA 3.44Å; N72-S77 WeakPolarHBondContact OD1-CB 3.13Å; N72-S77 PolarHBondContact OD1-OG 3.16Å; S77-Y94 PolarHBondContact N-O 3Å; S77-Y94 WeakPolarHBondContact O-CA 3.46Å; S77-Y94 PolarHBondContact O-N 3.09Å; S77-Y94 VanDerWaalsContact O-O 3.06Å; S77-I97 PolarHBondContact OG-N 3Å
78W94.2Very high91.3Very high15 Ų1547 Ų476%0.05725%0.248CC..EExtended strand (participates in β ladder)trans-149.5151.6177.461.5-88.8000112D52 Y71 R91 W92 L93D52-W78 HydrophobicContact CB-CH2 4.41Å; D52-W78 WeakPolarHBondContact OD1-CH2 3.18Å; D52-W78 WeakPolarHBondContact OD1-CZ3 3.38Å; Y71-W78 VanDerWaalsContact CB-CZ2 3.41Å; Y71-W78 HydrophobicContact CD1-CH2 4.01Å; Y71-W78 AromaticContact CD1-CZ2 3.97Å; Y71-W78 HydrophobicContact CD1-CZ2 3.97Å; Y71-W78 HydrophobicContact CD2-CD2 4.2Å; Y71-W78 AromaticContact CD2-CE3 3.81Å; Y71-W78 HydrophobicContact CD2-CE3 3.81Å; Y71-W78 AromaticContact CD2-CH2 3.49Å; Y71-W78 HydrophobicContact CD2-CH2 3.49Å; Y71-W78 VanDerWaalsContact CD2-CH2 3.49Å; Y71-W78 AromaticContact CD2-CZ2 3.92Å; Y71-W78 HydrophobicContact CD2-CZ2 3.92Å; Y71-W78 AromaticContact CD2-CZ3 3.44Å; Y71-W78 HydrophobicContact CD2-CZ3 3.44Å; Y71-W78 VanDerWaalsContact CD2-CZ3 3.44Å; Y71-W78 HydrophobicContact CE1-CH2 4.4Å; Y71-W78 AromaticContact CE2-CH2 3.95Å; Y71-W78 HydrophobicContact CE2-CH2 3.95Å; Y71-W78 AromaticContact CE2-CZ3 3.89Å; Y71-W78 HydrophobicContact CE2-CZ3 3.89Å; Y71-W78 HydrophobicContact CG-CD2 4.23Å; Y71-W78 AromaticContact CG-CE2 3.85Å; Y71-W78 HydrophobicContact CG-CE3 4.26Å; Y71-W78 AromaticContact CG-CH2 3.53Å; Y71-W78 HydrophobicContact CG-CH2 3.53Å; Y71-W78 AromaticContact CG-CZ2 3.5Å; Y71-W78 HydrophobicContact CG-CZ2 3.5Å; Y71-W78 VanDerWaalsContact CG-CZ2 3.5Å; Y71-W78 AromaticContact CG-CZ3 3.94Å; Y71-W78 HydrophobicContact CG-CZ3 3.94Å; Y71-W78 PolarHBondContact N-O 3.25Å; Y71-W78 PolarHBondContact O-N 3.38Å; W78-R91 HydrophobicContact CB-CG 3.86Å; W78-R91 HydrophobicContact CD2-CG 4.12Å; W78-R91 HydrophobicContact CE3-CG 3.83Å; W78-R91 HydrophobicContact CG-CG 4.18Å; W78-W92 CarbonylContact C-O 3.53Å; W78-W92 WeakPolarHBondContact CA-O 3.35Å; W78-W92 VanDerWaalsContact CB-O 3.3Å; W78-W92 WeakPolarHBondContact CB-O 3.38Å; W78-L93 HydrophobicContact CB-CD2 3.8Å
79V93.4Very high91.4Very high15 Ų1545.3 Ų45.39%0.09124%0.24CC..EExtended strand (participates in β ladder)trans-113.5132.5171.6176.70000107.6A2 F68 V70 R91 W92 Y94A2-V79 HydrophobicContact CB-CG2 4.29Å; F68-V79 HydrophobicContact CB-CG1 3.66Å; F68-V79 HydrophobicContact CD1-CG1 4.39Å; F68-V79 HydrophobicContact CG-CG1 4.18Å; V70-V79 HydrophobicContact CG2-CG2 3.93Å; V79-R91 WeakPolarHBondContact O-CA 3.24Å; V79-W92 PolarHBondContact N-O 3.3Å; V79-W92 PolarHBondContact O-N 3.2Å; V79-Y94 HydrophobicContact CB-CE2 4.06Å; V79-Y94 HydrophobicContact CG2-CD2 4.37Å; V79-Y94 HydrophobicContact CG2-CE2 3.77Å
80G92Very high91.5Very high1 Ų145 Ų451%0.0124%0.239CC..EExtended strand (participates in β ladder)trans-94.2151.917500000111.3S53 F68S53-G80 WeakPolarHBondContact OG-CA 3.47Å; F68-G80 WeakPolarHBondContact CD1-O 3.39Å
81G91.7Very high91.7Very high0 Ų046.9 Ų46.90%024%0.244CC..EExtended strand (participates in β ladder)trans-159-173.1170.300000110.1L90G81-L90 PolarHBondContact N-O 3.15Å; G81-L90 PolarHBondContact O-N 3.46Å; G81-L90 VanDerWaalsContact O-O 3.14Å
82M91Very high91.9Very high3 Ų347.3 Ų47.32%0.01525%0.246CC..EExtended strand (participates in β ladder)trans-154.6163.217962-170.277.100111.9L28 P84 R88 Y152 W157 V160L28-M82 HydrophobicContact CB-CE 3.54Å; L28-M82 HydrophobicContact CB-SD 3.76Å; L28-M82 HydrophobicContact CD1-CE 4.42Å; L28-M82 HydrophobicContact CD1-CG 3.88Å; L28-M82 HydrophobicContact CD1-SD 3.74Å; L28-M82 HydrophobicContact CD2-SD 4.33Å; L28-M82 HydrophobicContact CG-SD 4.18Å; M82-P84 WeakPolarHBondContact O-CD 3.46Å; M82-R88 CarbonylContact C-O 3.48Å; M82-R88 WeakPolarHBondContact CA-O 3.37Å; M82-R88 WeakPolarHBondContact CB-O 3.43Å; M82-Y152 HydrophobicContact CB-CE2 4.37Å; M82-Y152 HydrophobicContact CE-CE2 4.09Å; M82-Y152 HydrophobicContact SD-CE2 4.08Å; M82-W157 HydrophobicContact SD-CH2 4.14Å; M82-W157 HydrophobicContact SD-CZ3 3.76Å; M82-V160 HydrophobicContact CE-CG1 4.02Å; M82-V160 HydrophobicContact SD-CG1 4.4Å
83I91.6Very high92.2Very high7 Ų747.1 Ų47.14%0.03624%0.244CC..EExtended strand (participates in β ladder)trans-103100.9168.9-52.7172.8000106.9S85 Q86 R87 R88 L90 W139 Y140I83-S85 VanDerWaalsContact C-N 3.3Å; I83-S85 PolarHBondContact O-N 3.34Å; I83-Q86 HydrophobicContact CB-CB 4.13Å; I83-Q86 HydrophobicContact CB-CG 4.45Å; I83-Q86 HydrophobicContact CG2-CB 3.97Å; I83-Q86 HydrophobicContact CG2-CG 3.81Å; I83-Q86 CarbonylContact O-C 3.52Å; I83-Q86 PolarHBondContact O-N 3.32Å; I83-R87 PolarHBondContact O-N 3.35Å; I83-R88 PolarHBondContact N-O 3.1Å; I83-R88 PolarHBondContact O-N 3.06Å; I83-L90 HydrophobicContact CD1-CD1 4.25Å; I83-L90 HydrophobicContact CD1-CD2 4.27Å; I83-L90 HydrophobicContact CG1-CD1 3.71Å; I83-L90 HydrophobicContact CG1-CD2 4.41Å; I83-L90 HydrophobicContact CG1-CG 4.19Å; I83-W139 HydrophobicContact CG1-CH2 4.46Å; I83-Y140 HydrophobicContact CD1-CD2 3.45Å; I83-Y140 VanDerWaalsContact CD1-CD2 3.45Å; I83-Y140 HydrophobicContact CD1-CE2 3.94Å; I83-Y140 HydrophobicContact CD1-CG 3.84Å; I83-Y140 HydrophobicContact CG1-CD2 4.35Å; I83-Y140 HydrophobicContact CG1-CG 4.26Å
84P88.5Confident92.6Very high41 Ų4144.3 Ų44.327%0.26623%0.227SC..THydrogen-bonded Turntrans-58.6-38.6-172.6-27.936.3000113.7W26 L28 M82 Q86 R87 W157W26-P84 HydrophobicContact CH2-CB 4.48Å; W26-P84 HydrophobicContact CH2-CG 3.89Å; W26-P84 HydrophobicContact CZ2-CG 4.39Å; L28-P84 HydrophobicContact CD1-CG 4.3Å; M82-P84 WeakPolarHBondContact O-CD 3.46Å; P84-Q86 PolarHBondContact O-N 2.74Å; P84-R87 PolarHBondContact O-N 3.41Å; P84-W157 HydrophobicContact CB-CH2 4.18Å
85S90.1Very high93.1Very high108 Ų10839.4 Ų39.476%0.75520%0.203SC*.THydrogen-bonded Turntrans-63.9-29.117856.90000113.2I83I83-S85 VanDerWaalsContact C-N 3.3Å; I83-S85 PolarHBondContact O-N 3.34Å
86Q92.1Very high93.2Very high72 Ų7235.8 Ų35.834%0.33618%0.18SC..THydrogen-bonded Turntrans-101.2-7.7179.6-60.5175.610.600112.4I83 P84 R88 K151I83-Q86 HydrophobicContact CB-CB 4.13Å; I83-Q86 HydrophobicContact CB-CG 4.45Å; I83-Q86 HydrophobicContact CG2-CB 3.97Å; I83-Q86 HydrophobicContact CG2-CG 3.81Å; I83-Q86 CarbonylContact O-C 3.52Å; I83-Q86 PolarHBondContact O-N 3.32Å; P84-Q86 PolarHBondContact O-N 2.74Å; Q86-R88 HydrophobicContact CB-CB 4.08Å; Q86-R88 PolarHBondContact O-N 3.03Å; Q86-R88 VanDerWaalsContact O-N 3.17Å; Q86-R88 VanDerWaalsContact OE1-CZ 3.29Å; Q86-K151 VanDerWaalsContact O-CE 3.24Å; Q86-K151 WeakPolarHBondContact O-CE 3.49Å
87R92.6Very high93.1Very high81 Ų8134.9 Ų34.931%0.30617%0.173SC..THydrogen-bonded Turntrans49.533.3-171.3-52.1-178.7-174.21703.6112.6I83 P84 K151 Y152 D154 W157I83-R87 PolarHBondContact O-N 3.35Å; P84-R87 PolarHBondContact O-N 3.41Å; R87-K151 HydrophobicContact CB-CG 4.14Å; R87-K151 CarbonylContact O-C 3.49Å; R87-K151 WeakPolarHBondContact O-CA 3.14Å; R87-K151 VanDerWaalsContact O-CG 3.29Å; R87-K151 WeakPolarHBondContact O-CG 3.28Å; R87-Y152 WeakPolarHBondContact O-CD2 3.32Å; R87-Y152 PolarHBondContact O-N 2.77Å; R87-D154 IonicContact CZ-OD1 2.9Å; R87-D154 IonicContact NH1-OD1 2.94Å; R87-D154 PolarHBondContact NH1-OD1 3.28Å; R87-W157 HydrophobicContact CB-CD2 4.14Å; R87-W157 HydrophobicContact CB-CE3 3.89Å; R87-W157 HydrophobicContact CB-CZ3 4.18Å; R87-W157 HydrophobicContact CG-CD2 3.71Å; R87-W157 HydrophobicContact CG-CE3 3.94Å; R87-W157 HydrophobicContact CG-CG 4.18Å; R87-W157 HydrophobicContact CG-CH2 4.36Å; R87-W157 HydrophobicContact CG-CZ2 4.14Å; R87-W157 HydrophobicContact CG-CZ3 4.26Å
88R92.9Very high92.8Very high71 Ų7139.6 Ų39.627%0.26821%0.205SC..EExtended strand (participates in β ladder)trans-104.7131.3-173.1-178.2163.656.7155.32.2110.3M82 I83 Q86 L149M82-R88 CarbonylContact C-O 3.48Å; M82-R88 WeakPolarHBondContact CA-O 3.37Å; M82-R88 WeakPolarHBondContact CB-O 3.43Å; I83-R88 PolarHBondContact N-O 3.1Å; I83-R88 PolarHBondContact O-N 3.06Å; Q86-R88 HydrophobicContact CB-CB 4.08Å; Q86-R88 PolarHBondContact O-N 3.03Å; Q86-R88 VanDerWaalsContact O-N 3.17Å; Q86-R88 VanDerWaalsContact OE1-CZ 3.29Å; R88-L149 WeakPolarHBondContact CG-O 3.5Å
89K92.8Very high92.7Very high12 Ų1247.4 Ų47.45%0.05224%0.235CC..EExtended strand (participates in β ladder)trans-76.5145.7176.5-177-171.5-77.6164.10110.6D52 L149 E150 Y152D52-K89 VanDerWaalsContact OD2-CE 3.27Å; D52-K89 WeakPolarHBondContact OD2-CE 3.28Å; D52-K89 IonicContact OD2-NZ 3.65Å; D52-K89 PolarHBondContact OD2-NZ 3.1Å; K89-L149 HydrophobicContact CB-CB 3.96Å; K89-L149 HydrophobicContact CD-CB 4.14Å; K89-L149 HydrophobicContact CD-CD1 3.54Å; K89-L149 HydrophobicContact CD-CG 4.47Å; K89-L149 HydrophobicContact CG-CB 4.13Å; K89-L149 HydrophobicContact CG-CD1 3.95Å; K89-L149 PolarHBondContact O-N 3.17Å; K89-E150 PolarHBondContact N-O 3.47Å; K89-E150 VanDerWaalsContact N-O 3.13Å; K89-E150 IonicContact NZ-OE1 2.8Å; K89-E150 PolarHBondContact NZ-OE1 3.49Å; K89-Y152 HydrophobicContact CB-CE2 4.16Å; K89-Y152 WeakPolarHBondContact CE-OH 3.15Å
90L94.1Very high92.6Very high0 Ų051 Ų510%025%0.253CS..EExtended strand (participates in β ladder)trans-125.4150.1174.1-59.1175.5000109.6G81 I83 W92 W139 V146 Q147 H148G81-L90 PolarHBondContact N-O 3.15Å; G81-L90 PolarHBondContact O-N 3.46Å; G81-L90 VanDerWaalsContact O-O 3.14Å; I83-L90 HydrophobicContact CD1-CD1 4.25Å; I83-L90 HydrophobicContact CD1-CD2 4.27Å; I83-L90 HydrophobicContact CG1-CD1 3.71Å; I83-L90 HydrophobicContact CG1-CD2 4.41Å; I83-L90 HydrophobicContact CG1-CG 4.19Å; L90-W92 HydrophobicContact CB-CH2 3.64Å; L90-W92 HydrophobicContact CB-CZ2 4.44Å; L90-W92 HydrophobicContact CB-CZ3 3.74Å; L90-W92 HydrophobicContact CD1-CH2 3.55Å; L90-W92 HydrophobicContact CD1-CZ2 4.09Å; L90-W92 HydrophobicContact CD1-CZ3 4.44Å; L90-W92 HydrophobicContact CG-CH2 4.26Å; L90-W139 HydrophobicContact CD1-CH2 4.03Å; L90-W139 HydrophobicContact CD1-CZ3 3.66Å; L90-V146 HydrophobicContact CD2-CG2 4.35Å; L90-Q147 WeakPolarHBondContact CA-O 3.39Å; L90-H148 WeakPolarHBondContact CD2-ND1 3.3Å
91R94.4Very high92.7Very high60 Ų6053.5 Ų53.523%0.22627%0.27CS..EExtended strand (participates in β ladder)trans-138.9125.6172.4-179.1177.3-70.4160-1.1110D52 W78 V79 L93 Q147 L149D52-R91 IonicContact OD2-NH2 3.39Å; W78-R91 HydrophobicContact CB-CG 3.86Å; W78-R91 HydrophobicContact CD2-CG 4.12Å; W78-R91 HydrophobicContact CE3-CG 3.83Å; W78-R91 HydrophobicContact CG-CG 4.18Å; V79-R91 WeakPolarHBondContact O-CA 3.24Å; R91-L93 HydrophobicContact CG-CD2 3.87Å; R91-Q147 HydrophobicContact CB-CB 4.45Å; R91-Q147 PolarHBondContact N-O 3.17Å; R91-Q147 PolarHBondContact O-N 2.91Å; R91-L149 HydrophobicContact CB-CD1 3.75Å; R91-L149 HydrophobicContact CB-CG 4.37Å
92W95.6Very high92.8Very high22 Ų2262.1 Ų62.18%0.08330%0.303CS..EExtended strand (participates in β ladder)trans-95120.5168.1-67.5-101.5000108.4W78 V79 L90 Y94 W139 H143 N145 V146W78-W92 CarbonylContact C-O 3.53Å; W78-W92 WeakPolarHBondContact CA-O 3.35Å; W78-W92 VanDerWaalsContact CB-O 3.3Å; W78-W92 WeakPolarHBondContact CB-O 3.38Å; V79-W92 PolarHBondContact N-O 3.3Å; V79-W92 PolarHBondContact O-N 3.2Å; L90-W92 HydrophobicContact CB-CH2 3.64Å; L90-W92 HydrophobicContact CB-CZ2 4.44Å; L90-W92 HydrophobicContact CB-CZ3 3.74Å; L90-W92 HydrophobicContact CD1-CH2 3.55Å; L90-W92 HydrophobicContact CD1-CZ2 4.09Å; L90-W92 HydrophobicContact CD1-CZ3 4.44Å; L90-W92 HydrophobicContact CG-CH2 4.26Å; W92-Y94 HydrophobicContact CB-CD2 4.49Å; W92-Y94 HydrophobicContact CB-CE2 3.6Å; W92-Y94 WeakPolarHBondContact O-CD2 3.28Å; W92-W139 HydrophobicContact CH2-CE3 4.07Å; W92-W139 AromaticContact CH2-CZ3 3.73Å; W92-W139 HydrophobicContact CH2-CZ3 3.73Å; W92-W139 AromaticContact CZ2-CE3 3.87Å; W92-W139 HydrophobicContact CZ2-CE3 3.87Å; W92-W139 AromaticContact CZ2-CZ3 3.99Å; W92-W139 HydrophobicContact CZ2-CZ3 3.99Å; W92-H143 AromaticContact NE1-CG 3.7Å; W92-H143 AromaticContact NE1-ND1 3.76Å; W92-N145 WeakPolarHBondContact CA-O 3.4Å; W92-V146 HydrophobicContact CD2-CG2 4.33Å; W92-V146 HydrophobicContact CZ2-CG2 3.83Å
93L95.5Very high92.8Very high56 Ų5663.9 Ų63.929%0.29332%0.317SS..EExtended strand (participates in β ladder)trans-90.5137.3177.2-64.6-175.9000110.7W78 R91 N145 Q147W78-L93 HydrophobicContact CB-CD2 3.8Å; R91-L93 HydrophobicContact CG-CD2 3.87Å; L93-N145 PolarHBondContact N-O 3.02Å; L93-N145 VanDerWaalsContact O-CB 3.25Å; L93-N145 WeakPolarHBondContact O-CB 3.3Å; L93-N145 PolarHBondContact O-ND2 3.36Å; L93-Q147 HydrophobicContact CD1-CG 4.38Å
94Y96Very high92.9Very high33 Ų3370.4 Ų70.413%0.12935%0.348CS..EExtended strand (participates in β ladder)trans-128.4151.7178.5-62.4-80.8000110.6S76 S77 V79 W92 V119 A122 D123 N145S76-Y94 WeakPolarHBondContact CB-O 3.48Å; S77-Y94 PolarHBondContact N-O 3Å; S77-Y94 WeakPolarHBondContact O-CA 3.46Å; S77-Y94 PolarHBondContact O-N 3.09Å; S77-Y94 VanDerWaalsContact O-O 3.06Å; V79-Y94 HydrophobicContact CB-CE2 4.06Å; V79-Y94 HydrophobicContact CG2-CD2 4.37Å; V79-Y94 HydrophobicContact CG2-CE2 3.77Å; W92-Y94 HydrophobicContact CB-CD2 4.49Å; W92-Y94 HydrophobicContact CB-CE2 3.6Å; W92-Y94 WeakPolarHBondContact O-CD2 3.28Å; Y94-V119 HydrophobicContact CD1-CB 4.42Å; Y94-V119 HydrophobicContact CD1-CG1 3.76Å; Y94-V119 HydrophobicContact CE1-CG1 3.82Å; Y94-A122 HydrophobicContact CD1-CB 4.23Å; Y94-D123 WeakPolarHBondContact CE1-OD1 3.3Å; Y94-D123 WeakPolarHBondContact CE1-OD2 3.41Å; Y94-D123 PolarHBondContact OH-OD1 2.83Å; Y94-D123 PolarHBondContact OH-OD2 3.46Å; Y94-N145 WeakPolarHBondContact CE1-ND2 3.41Å
95P95.6Very high93Very high45 Ų4573.6 Ų73.629%0.29236%0.362SS..EExtended strand (participates in β ladder)trans-50149.8159.5-25.336.8000110.2I97 E118P95-I97 PolarHBondContact O-N 3.41Å; P95-E118 HydrophobicContact CB-CB 4.25Å; P95-E118 HydrophobicContact CG-CB 3.97Å
96K95.1Very high93.2Very high72 Ų7276.8 Ų76.831%0.31337%0.37SS..  trans-57.2115.4-175.5179.966.3177.4-168.50111.2N73 S98N73-K96 PolarHBondContact O-NZ 3.1Å; K96-S98 PolarHBondContact O-N 3.03Å
97I92.6Very high93.2Very high19 Ų1975.9 Ų75.910%0.09738%0.379CS..  trans-85.388.1172.9-57.4167.4000107.5V70 S77 P95 L100 P113 V119V70-I97 HydrophobicContact CG1-CD1 4.13Å; S77-I97 PolarHBondContact OG-N 3Å; P95-I97 PolarHBondContact O-N 3.41Å; I97-L100 HydrophobicContact CG2-CD2 4.03Å; I97-P113 HydrophobicContact CD1-CB 4.33Å; I97-P113 HydrophobicContact CD1-CG 3.93Å; I97-P113 HydrophobicContact CG1-CB 4.2Å; I97-P113 HydrophobicContact CG1-CG 4.35Å; I97-P113 HydrophobicContact CG2-CB 3.89Å; I97-P113 HydrophobicContact CG2-CG 4.2Å; I97-V119 HydrophobicContact CD1-CG2 4.3Å; I97-V119 HydrophobicContact CG1-CG2 4.21Å
98S87.7Confident93.3Very high98 Ų9878.3 Ų78.369%0.68539%0.394SS*.  trans-85.7-28-178.959.30000113.3K96K96-S98 PolarHBondContact O-N 3.03Å
99R91.5Very high93.2Very high180 Ų18080 Ų8068%0.67941%0.408SS*.  trans-134.3141.5-176-68.3178.361.4179.3-1.9111.2C114R99-C114 HydrophobicContact CB-CB 4.29Å; R99-C114 PolarHBondContact O-N 3.44Å; R99-C114 VanDerWaalsContact O-N 3.07Å
100L91.9Very high93Very high90 Ų9083 Ų8347%0.47142%0.421SS..EExtended strand (participates in β ladder)trans-103.2137.7171.1-60.6177.2000109.8I97 V112I97-L100 HydrophobicContact CG2-CD2 4.03Å; L100-V112 CarbonylContact C-O 3.49Å; L100-V112 WeakPolarHBondContact CA-O 3.33Å
101C93.8Very high92.9Very high54 Ų5486.6 Ų86.637%0.36545%0.446SS..EExtended strand (participates in β ladder)trans-111.5167.3175.7-80.10000109.3S111 V112 C114C101-S111 CarbonylContact O-C 3.59Å; C101-S111 WeakPolarHBondContact O-CA 3.38Å; C101-V112 HydrophobicContact CB-CG2 4.24Å; C101-V112 PolarHBondContact N-O 3.1Å; C101-V112 PolarHBondContact O-N 3.4Å; C101-C114 VanDerWaalsContact CA-SG 3.6Å; C101-C114 HydrophobicContact CB-CB 4.11Å; C101-C114 WeakPolarHBondContact CB-SG 3.35Å; C101-C114 PolarHBondContact N-SG 3.11Å; C101-C114 VanDerWaalsContact SG-CA 3.55Å; C101-C114 WeakPolarHBondContact SG-CB 3.3Å; C101-C114 CovalentContact SG-SG 2.05Å; C101-C114 PolarHBondContact SG-SG 2.91Å
102R92.8Very high92.7Very high181 Ų18185.7 Ų85.768%0.68345%0.447SS*.EExtended strand (participates in β ladder)trans-97.2136.2174.1-63.8-79-175.9161.41.6108.7F110R102-F110 CarbonylContact C-O 3.57Å; R102-F110 WeakPolarHBondContact CA-O 3.22Å
103A92.4Very high92.6Very high39 Ų3986.3 Ų86.332%0.32245%0.454SS..EExtended strand (participates in β ladder)trans-129.4149.5167.700000109.2L109 F110 V112A103-L109 CarbonylContact O-C 3.54Å; A103-L109 WeakPolarHBondContact O-CA 3.41Å; A103-F110 PolarHBondContact N-O 3.47Å; A103-F110 PolarHBondContact O-N 3.34Å; A103-V112 HydrophobicContact CB-CB 4.4Å; A103-V112 HydrophobicContact CB-CG1 3.74Å; A103-V112 HydrophobicContact CB-CG2 3.71Å
104E92.7Very high92.6Very high145 Ų14585.8 Ų85.868%0.67846%0.455SS*.EExtended strand (participates in β ladder)trans-97.4131.3175.5-169.9-175.1154.400109.7G107 E108 L109E104-G107 WeakPolarHBondContact OE1-CA 3.49Å; E104-E108 CarbonylContact C-O 3.56Å; E104-E108 WeakPolarHBondContact CA-O 3.04Å; E104-L109 HydrophobicContact CB-CD2 4.26Å
105L91Very high92.5Very high108 Ų10885.7 Ų85.757%0.56546%0.456SS*.EExtended strand (participates in β ladder)trans-134.4115.7170.9177.368.2000108.2G107 E108 F110L105-G107 VanDerWaalsContact C-N 3.28Å; L105-G107 PolarHBondContact O-N 3.45Å; L105-E108 PolarHBondContact N-O 3.14Å; L105-E108 PolarHBondContact O-N 3.16Å; L105-E108 VanDerWaalsContact O-N 3.12Å; L105-F110 HydrophobicContact CB-CD2 3.72Å; L105-F110 HydrophobicContact CB-CE2 3.72Å; L105-F110 HydrophobicContact CD2-CE2 4.27Å; L105-F110 HydrophobicContact CG-CE2 4.38Å
106L93.6Very high92.5Very high175 Ų17586.6 Ų86.692%0.91646%0.461SS*.THydrogen-bonded Turntrans54.639.7-178.2-55.7175.9000113.5E108L106-E108 VanDerWaalsContact C-N 3.28Å; L106-E108 PolarHBondContact O-N 2.98Å
107G93.7Very high92.4Very high52 Ų5287.2 Ų87.254%0.53647%0.47SS..THydrogen-bonded Turntrans83.7-6.9-179.300000115.2E104 L105E104-G107 WeakPolarHBondContact OE1-CA 3.49Å; L105-G107 VanDerWaalsContact C-N 3.28Å; L105-G107 PolarHBondContact O-N 3.45Å
108E92.9Very high92.6Very high132 Ų13291.3 Ų91.362%0.61749%0.489SS*.EExtended strand (participates in β ladder)trans-103.1141-179.7-70.1-65.216100111.6E104 L105 L106 F110E104-E108 CarbonylContact C-O 3.56Å; E104-E108 WeakPolarHBondContact CA-O 3.04Å; L105-E108 PolarHBondContact N-O 3.14Å; L105-E108 PolarHBondContact O-N 3.16Å; L105-E108 VanDerWaalsContact O-N 3.12Å; L106-E108 VanDerWaalsContact C-N 3.28Å; L106-E108 PolarHBondContact O-N 2.98Å; E108-F110 HydrophobicContact CB-CD2 4.39Å; E108-F110 HydrophobicContact CB-CE2 3.59Å; E108-F110 HydrophobicContact CB-CZ 4.07Å; E108-F110 VanDerWaalsContact O-CD2 3.29Å; E108-F110 WeakPolarHBondContact O-CD2 3.32Å
109L92Very high92.9Very high106 Ų10687.6 Ų87.656%0.55546%0.462SS*.EExtended strand (participates in β ladder)trans-89.8118.4-180-68.4178.2000111.6A103 E104A103-L109 CarbonylContact O-C 3.54Å; A103-L109 WeakPolarHBondContact O-CA 3.41Å; E104-L109 HydrophobicContact CB-CD2 4.26Å
110F89.3Confident93.1Very high75 Ų7581.1 Ų81.133%0.32944%0.441SS..EExtended strand (participates in β ladder)trans-107.8146.4175.8-65.2-90.1000111.6M1 R102 A103 L105 E108M1-F110 HydrophobicContact SD-CD1 4.29Å; M1-F110 HydrophobicContact SD-CE1 4.02Å; R102-F110 CarbonylContact C-O 3.57Å; R102-F110 WeakPolarHBondContact CA-O 3.22Å; A103-F110 PolarHBondContact N-O 3.47Å; A103-F110 PolarHBondContact O-N 3.34Å; L105-F110 HydrophobicContact CB-CD2 3.72Å; L105-F110 HydrophobicContact CB-CE2 3.72Å; L105-F110 HydrophobicContact CD2-CE2 4.27Å; L105-F110 HydrophobicContact CG-CE2 4.38Å; E108-F110 HydrophobicContact CB-CD2 4.39Å; E108-F110 HydrophobicContact CB-CE2 3.59Å; E108-F110 HydrophobicContact CB-CZ 4.07Å; E108-F110 VanDerWaalsContact O-CD2 3.29Å; E108-F110 WeakPolarHBondContact O-CD2 3.32Å
111S90.2Very high93.3Very high76 Ų7679.5 Ų79.553%0.53143%0.433SS..EExtended strand (participates in β ladder)trans-80.8121.2168.7-62.80000109.5C101C101-S111 CarbonylContact O-C 3.59Å; C101-S111 WeakPolarHBondContact O-CA 3.38Å
112V92Very high93.3Very high42 Ų4278 Ų7826%0.25543%0.425SS..EExtended strand (participates in β ladder)trans-122.4155.8178.3-62.30000110.6L100 C101 A103 C114L100-V112 CarbonylContact C-O 3.49Å; L100-V112 WeakPolarHBondContact CA-O 3.33Å; C101-V112 HydrophobicContact CB-CG2 4.24Å; C101-V112 PolarHBondContact N-O 3.1Å; C101-V112 PolarHBondContact O-N 3.4Å; A103-V112 HydrophobicContact CB-CB 4.4Å; A103-V112 HydrophobicContact CB-CG1 3.74Å; A103-V112 HydrophobicContact CB-CG2 3.71Å; V112-C114 PolarHBondContact O-N 3.44Å
113P93.2Very high93.3Very high35 Ų3570.3 Ų70.323%0.22740%0.397CS..EExtended strand (participates in β ladder)trans-56.4137.4169.7-24.135.6000110.8I97 N115 V116 V119I97-P113 HydrophobicContact CD1-CB 4.33Å; I97-P113 HydrophobicContact CD1-CG 3.93Å; I97-P113 HydrophobicContact CG1-CB 4.2Å; I97-P113 HydrophobicContact CG1-CG 4.35Å; I97-P113 HydrophobicContact CG2-CB 3.89Å; I97-P113 HydrophobicContact CG2-CG 4.2Å; P113-N115 VanDerWaalsContact C-N 3.32Å; P113-V116 WeakPolarHBondContact O-CG2 3.1Å; P113-V119 HydrophobicContact CB-CG2 4Å; P113-V119 HydrophobicContact CG-CG2 4.23Å
114C94.7Very high93.3Very high45 Ų4572.8 Ų72.830%0.30440%0.399SS..SBendtrans-70.3-30.8175-67.60000112.5R99 C101 V112 V116R99-C114 HydrophobicContact CB-CB 4.29Å; R99-C114 PolarHBondContact O-N 3.44Å; R99-C114 VanDerWaalsContact O-N 3.07Å; C101-C114 VanDerWaalsContact CA-SG 3.6Å; C101-C114 HydrophobicContact CB-CB 4.11Å; C101-C114 WeakPolarHBondContact CB-SG 3.35Å; C101-C114 PolarHBondContact N-SG 3.11Å; C101-C114 VanDerWaalsContact SG-CA 3.55Å; C101-C114 WeakPolarHBondContact SG-CB 3.3Å; C101-C114 CovalentContact SG-SG 2.05Å; C101-C114 PolarHBondContact SG-SG 2.91Å; V112-C114 PolarHBondContact O-N 3.44Å; C114-V116 PolarHBondContact O-N 3.03Å; C114-V116 VanDerWaalsContact O-N 3.09Å
115N94.8Very high93.2Very high30 Ų3066 Ų6616%0.1637%0.368CS..  trans-8550.7175.462.1-35.4000111.8P113 V117 E118 V119P113-N115 VanDerWaalsContact C-N 3.32Å; N115-V117 VanDerWaalsContact C-N 3.31Å; N115-V117 PolarHBondContact O-N 2.8Å; N115-E118 HydrophobicContact CB-CB 4.35Å; N115-E118 HydrophobicContact CB-CG 4.34Å; N115-E118 PolarHBondContact ND2-OE2 3Å; N115-E118 PolarHBondContact O-N 3.04Å; N115-E118 VanDerWaalsContact O-N 3.14Å; N115-V119 PolarHBondContact O-N 3.25Å
116V93.9Very high93.3Very high64 Ų6465.9 Ų65.939%0.38837%0.372SS..Hα-helixtrans-52.3-46.6-173.3-176.90000112.1P113 C114 E118 V119 L120P113-V116 WeakPolarHBondContact O-CG2 3.1Å; C114-V116 PolarHBondContact O-N 3.03Å; C114-V116 VanDerWaalsContact O-N 3.09Å; V116-E118 VanDerWaalsContact C-N 3.31Å; V116-E118 PolarHBondContact O-N 2.83Å; V116-V119 PolarHBondContact O-N 3.39Å; V116-L120 HydrophobicContact CG1-CD1 3.78Å; V116-L120 HydrophobicContact CG1-CG 4.14Å; V116-L120 WeakPolarHBondContact O-CG 3.25Å; V116-L120 PolarHBondContact O-N 2.51Å
117V94.9Very high93.2Very high85 Ų8562 Ų6252%0.51535%0.351SS..Hα-helixtrans-62.7-38.8-176.3177.80000111.6N115 N121N115-V117 VanDerWaalsContact C-N 3.31Å; N115-V117 PolarHBondContact O-N 2.8Å; V117-N121 VanDerWaalsContact O-CB 3.26Å; V117-N121 WeakPolarHBondContact O-CB 3.27Å; V117-N121 PolarHBondContact O-N 3.29Å; V117-N121 PolarHBondContact O-ND2 3.23Å
118E95.7Very high93Very high106 Ų10664.1 Ų64.150%0.49534%0.343SS..Hα-helixtrans-68.6-40178.1-61.3175.6-166.700111.7P95 N115 V116 N121 A122P95-E118 HydrophobicContact CB-CB 4.25Å; P95-E118 HydrophobicContact CG-CB 3.97Å; N115-E118 HydrophobicContact CB-CB 4.35Å; N115-E118 HydrophobicContact CB-CG 4.34Å; N115-E118 PolarHBondContact ND2-OE2 3Å; N115-E118 PolarHBondContact O-N 3.04Å; N115-E118 VanDerWaalsContact O-N 3.14Å; V116-E118 VanDerWaalsContact C-N 3.31Å; V116-E118 PolarHBondContact O-N 2.83Å; E118-N121 PolarHBondContact O-N 2.76Å; E118-A122 PolarHBondContact O-N 2.68Å
119V95.1Very high92.7Very high19 Ų1962 Ų6212%0.11534%0.343CS..Hα-helixtrans-63.5-47.3175.5172.50000110.7Y94 I97 P113 N115 V116 N121 A122 D123Y94-V119 HydrophobicContact CD1-CB 4.42Å; Y94-V119 HydrophobicContact CD1-CG1 3.76Å; Y94-V119 HydrophobicContact CE1-CG1 3.82Å; I97-V119 HydrophobicContact CD1-CG2 4.3Å; I97-V119 HydrophobicContact CG1-CG2 4.21Å; P113-V119 HydrophobicContact CB-CG2 4Å; P113-V119 HydrophobicContact CG-CG2 4.23Å; N115-V119 PolarHBondContact O-N 3.25Å; V116-V119 PolarHBondContact O-N 3.39Å; V119-N121 PolarHBondContact O-N 2.97Å; V119-A122 WeakPolarHBondContact O-CB 3.49Å; V119-A122 PolarHBondContact O-N 3.08Å; V119-A122 VanDerWaalsContact O-N 3.16Å; V119-D123 PolarHBondContact O-N 2.88Å; V119-D123 VanDerWaalsContact O-N 3.14Å
120L94.3Very high92.4Very high45 Ų4565.4 Ų65.424%0.23635%0.349CS..Hα-helixtrans-64-39.3177-68.7176.1000112.3V116 A122 D123 Y124 W128V116-L120 HydrophobicContact CG1-CD1 3.78Å; V116-L120 HydrophobicContact CG1-CG 4.14Å; V116-L120 WeakPolarHBondContact O-CG 3.25Å; V116-L120 PolarHBondContact O-N 2.51Å; L120-A122 VanDerWaalsContact C-N 3.29Å; L120-A122 PolarHBondContact O-N 2.88Å; L120-D123 PolarHBondContact O-N 2.81Å; L120-Y124 HydrophobicContact CD2-CD2 4.29Å; L120-Y124 HydrophobicContact CD2-CE2 4.22Å; L120-Y124 PolarHBondContact O-N 2.78Å; L120-W128 HydrophobicContact CB-CB 4.45Å; L120-W128 HydrophobicContact CB-CD2 3.97Å; L120-W128 HydrophobicContact CB-CG 3.91Å; L120-W128 HydrophobicContact CD1-CD2 3.89Å; L120-W128 HydrophobicContact CD1-CE3 3.74Å; L120-W128 HydrophobicContact CD1-CH2 3.92Å; L120-W128 HydrophobicContact CD1-CZ2 4.04Å; L120-W128 HydrophobicContact CD1-CZ3 3.76Å
121N95.5Very high91.9Very high56 Ų5667.6 Ų67.630%0.29937%0.369SS..Hα-helixtrans-63-35.4174.1-77.5-22.3000112V117 E118 V119 G125 T126 W128V117-N121 VanDerWaalsContact O-CB 3.26Å; V117-N121 WeakPolarHBondContact O-CB 3.27Å; V117-N121 PolarHBondContact O-N 3.29Å; V117-N121 PolarHBondContact O-ND2 3.23Å; E118-N121 PolarHBondContact O-N 2.76Å; V119-N121 PolarHBondContact O-N 2.97Å; N121-G125 WeakPolarHBondContact O-CA 3.33Å; N121-G125 PolarHBondContact O-N 3.18Å; N121-G125 PolarHBondContact OD1-O 2.87Å; N121-T126 WeakPolarHBondContact OD1-CA 3.34Å; N121-W128 PolarHBondContact OD1-NE1 2.96Å
122A95.2Very high91.1Very high23 Ų2368.8 Ų68.819%0.1937%0.368CS..Hα-helixtrans-67.5-40.9176.500000111.9Y94 E118 V119 L120 N145Y94-A122 HydrophobicContact CD1-CB 4.23Å; E118-A122 PolarHBondContact O-N 2.68Å; V119-A122 WeakPolarHBondContact O-CB 3.49Å; V119-A122 PolarHBondContact O-N 3.08Å; V119-A122 VanDerWaalsContact O-N 3.16Å; L120-A122 VanDerWaalsContact C-N 3.29Å; L120-A122 PolarHBondContact O-N 2.88Å; A122-N145 HydrophobicContact CB-CB 4.43Å; A122-N145 VanDerWaalsContact O-CB 3.27Å; A122-N145 WeakPolarHBondContact O-CB 3.37Å; A122-N145 VanDerWaalsContact O-CG 3.23Å; A122-N145 PolarHBondContact O-N 3.41Å; A122-N145 PolarHBondContact O-OD1 2.82Å
123D92.7Very high90.2Very high18 Ų1875.2 Ų75.210%0.09640%0.395CS..Hα-helixtrans-72.9-52.6-180-80.2-21.3000112.7Y94 V119 L120 R144 N145Y94-D123 WeakPolarHBondContact CE1-OD1 3.3Å; Y94-D123 WeakPolarHBondContact CE1-OD2 3.41Å; Y94-D123 PolarHBondContact OH-OD1 2.83Å; Y94-D123 PolarHBondContact OH-OD2 3.46Å; V119-D123 PolarHBondContact O-N 2.88Å; V119-D123 VanDerWaalsContact O-N 3.14Å; L120-D123 PolarHBondContact O-N 2.81Å; D123-R144 PolarHBondContact O-N 3.04Å; D123-N145 PolarHBondContact OD1-ND2 3Å; D123-N145 PolarHBondContact OD1-OD1 3.29Å
124Y91.7Very high89.3Confident92 Ų9277.2 Ų77.236%0.36140%0.404SS..Hα-helixtrans-114.9-13.3-165.2-56.3-66.9000113.5L120 W128 F137 H143 R144L120-Y124 HydrophobicContact CD2-CD2 4.29Å; L120-Y124 HydrophobicContact CD2-CE2 4.22Å; L120-Y124 PolarHBondContact O-N 2.78Å; Y124-W128 HydrophobicContact CD2-CB 4.29Å; Y124-W128 HydrophobicContact CG-CB 4.34Å; Y124-F137 HydrophobicContact CE1-CE2 4.45Å; Y124-F137 HydrophobicContact CE1-CZ 4.1Å; Y124-H143 AromaticContact CE1-CD2 3.96Å; Y124-H143 AromaticContact CE1-NE2 3.66Å; Y124-H143 AromaticContact CZ-NE2 3.95Å; Y124-R144 PolarHBondContact O-NE 2.71Å
125G92.1Very high88.7Confident3 Ų385.2 Ų85.23%0.03143%0.433CS..  trans86-179-174.300000113.3N121 N127 W128N121-G125 WeakPolarHBondContact O-CA 3.33Å; N121-G125 PolarHBondContact O-N 3.18Å; N121-G125 PolarHBondContact OD1-O 2.87Å; G125-N127 PolarHBondContact O-N 2.81Å; G125-N127 VanDerWaalsContact O-N 3.1Å; G125-W128 WeakPolarHBondContact O-CB 3.06Å; G125-W128 VanDerWaalsContact O-CD1 3.22Å; G125-W128 PolarHBondContact O-N 3.27Å; G125-W128 VanDerWaalsContact O-N 3.11Å
126T92.2Very high88.2Confident105 Ų10588.2 Ų88.264%0.64445%0.453SS*.THydrogen-bonded Turntrans-61.7-21.6-173.951.60000114.9N121N121-T126 WeakPolarHBondContact OD1-CA 3.34Å
127N90.5Very high87.9Confident92 Ų9288.8 Ų88.849%0.49245%0.45SS..THydrogen-bonded Turntrans-96.421.4178.9-70.5-22000113.2G125 S129 R130G125-N127 PolarHBondContact O-N 2.81Å; G125-N127 VanDerWaalsContact O-N 3.1Å; N127-S129 PolarHBondContact O-N 2.91Å; N127-R130 PolarHBondContact O-N 2.97Å
128W89.2Confident87.7Confident97 Ų9787.5 Ų87.537%0.36744%0.44SS..THydrogen-bonded Turntrans-54.8-24.4-177.762.6-101.8000114.8L120 N121 Y124 G125 R130L120-W128 HydrophobicContact CB-CB 4.45Å; L120-W128 HydrophobicContact CB-CD2 3.97Å; L120-W128 HydrophobicContact CB-CG 3.91Å; L120-W128 HydrophobicContact CD1-CD2 3.89Å; L120-W128 HydrophobicContact CD1-CE3 3.74Å; L120-W128 HydrophobicContact CD1-CH2 3.92Å; L120-W128 HydrophobicContact CD1-CZ2 4.04Å; L120-W128 HydrophobicContact CD1-CZ3 3.76Å; N121-W128 PolarHBondContact OD1-NE1 2.96Å; Y124-W128 HydrophobicContact CD2-CB 4.29Å; Y124-W128 HydrophobicContact CG-CB 4.34Å; G125-W128 WeakPolarHBondContact O-CB 3.06Å; G125-W128 VanDerWaalsContact O-CD1 3.22Å; G125-W128 PolarHBondContact O-N 3.27Å; G125-W128 VanDerWaalsContact O-N 3.11Å; W128-R130 PolarHBondContact O-N 3.19Å
129S87.5Confident87.3Confident88 Ų8888.1 Ų88.162%0.61544%0.438SS*.THydrogen-bonded Turntrans-73-14.2178.755.20000113.7N127N127-S129 PolarHBondContact O-N 2.91Å
130R86Confident87.1Confident177 Ų17789.6 Ų89.667%0.66844%0.442SS*.SBendtrans-87122.3174.2-62.6-173.4179.8-165.5-0.6108.8N127 W128 I132N127-R130 PolarHBondContact O-N 2.97Å; W128-R130 PolarHBondContact O-N 3.19Å; R130-I132 PolarHBondContact O-N 2.65Å; R130-I132 VanDerWaalsContact O-N 3.1Å
131T79.3Confident86.9Confident122 Ų12293.3 Ų93.375%0.74846%0.456SS*.  trans-57.7118.4171.6-53.40000109.1E133T131-E133 HydrophobicContact CG2-CG 3.98Å; T131-E133 PolarHBondContact O-N 3.27Å
132I71.9Confident86.7Confident100 Ų10093 Ų9351%0.51346%0.459SS..  trans-86.996.7170.7-61.6175.1000106R130 D134R130-I132 PolarHBondContact O-N 2.65Å; R130-I132 VanDerWaalsContact O-N 3.1Å; I132-D134 HydrophobicContact CG2-CB 3.25Å; I132-D134 PolarHBondContact O-N 2.99Å
133E74.1Confident86.5Confident178 Ų17893.1 Ų93.183%0.83246%0.455SS*.  trans-76.933.1169.8-63.5-173.3-178.900111.8T131 K135T131-E133 HydrophobicContact CG2-CG 3.98Å; T131-E133 PolarHBondContact O-N 3.27Å; E133-K135 PolarHBondContact O-N 3.22Å
134D75.1Confident86.5Confident76 Ų76100.7 Ų100.741%0.40648%0.482SS..  trans-82.3105-177.2-168.7-7.2000109.2I132 T136 F137I132-D134 HydrophobicContact CG2-CB 3.25Å; I132-D134 PolarHBondContact O-N 2.99Å; D134-T136 PolarHBondContact O-N 3.49Å; D134-T136 WeakPolarHBondContact OD1-CA 3.37Å; D134-T136 WeakPolarHBondContact OD1-CB 3.28Å; D134-T136 WeakPolarHBondContact OD1-CG2 3.4Å; D134-T136 PolarHBondContact OD1-N 3.01Å; D134-T136 PolarHBondContact OD1-OG1 3.4Å; D134-T136 PolarHBondContact OD2-OG1 3.48Å; D134-F137 WeakPolarHBondContact O-CB 3.29Å; D134-F137 PolarHBondContact O-N 3.18Å
135K80.7Confident86.6Confident213 Ų21397.2 Ų97.293%0.92647%0.47SS*.THydrogen-bonded Turntrans-58.8-13.3172.2-63.6-177.7-178.2177.60112.6E133E133-K135 PolarHBondContact O-N 3.22Å
136T85.4Confident86.8Confident94 Ų9498.2 Ų98.258%0.57748%0.475SS*.THydrogen-bonded Turntrans-90.51.8175.281.20000113.7D134 I138D134-T136 PolarHBondContact O-N 3.49Å; D134-T136 WeakPolarHBondContact OD1-CA 3.37Å; D134-T136 WeakPolarHBondContact OD1-CB 3.28Å; D134-T136 WeakPolarHBondContact OD1-CG2 3.4Å; D134-T136 PolarHBondContact OD1-N 3.01Å; D134-T136 PolarHBondContact OD1-OG1 3.4Å; D134-T136 PolarHBondContact OD2-OG1 3.48Å; T136-I138 WeakPolarHBondContact O-CG1 3.41Å; T136-I138 PolarHBondContact O-N 3.22Å; T136-I138 VanDerWaalsContact O-N 3.12Å
137F87Confident86.9Confident75 Ų7597 Ų9733%0.32946%0.462SS..  trans-63.6115.1175.4-172.8-89.7000111.1Y124 D134 S142 H143Y124-F137 HydrophobicContact CE1-CE2 4.45Å; Y124-F137 HydrophobicContact CE1-CZ 4.1Å; D134-F137 WeakPolarHBondContact O-CB 3.29Å; D134-F137 PolarHBondContact O-N 3.18Å; F137-S142 VanDerWaalsContact CD2-CB 3.44Å; F137-H143 AromaticContact CE1-CE1 3.92Å; F137-H143 AromaticContact CZ-CE1 3.55Å; F137-H143 AromaticContact CZ-ND1 3.9Å; F137-H143 AromaticContact CZ-NE2 3.77Å
138I90Very high87.1Confident58 Ų5896.6 Ų96.630%0.29746%0.457SS..  trans-115.6114.5178.5-66.5166.9000107.6T136 Y140 K141 S142T136-I138 WeakPolarHBondContact O-CG1 3.41Å; T136-I138 PolarHBondContact O-N 3.22Å; T136-I138 VanDerWaalsContact O-N 3.12Å; I138-Y140 HydrophobicContact CG2-CD1 3.43Å; I138-Y140 VanDerWaalsContact CG2-CD1 3.43Å; I138-Y140 HydrophobicContact CG2-CD2 4.12Å; I138-Y140 HydrophobicContact CG2-CE1 3.2Å; I138-Y140 HydrophobicContact CG2-CE2 3.94Å; I138-Y140 HydrophobicContact CG2-CG 3.89Å; I138-Y140 VanDerWaalsContact CG2-CZ 3.47Å; I138-Y140 PolarHBondContact O-N 3.07Å; I138-K141 HydrophobicContact CB-CB 4.16Å; I138-K141 HydrophobicContact CB-CG 4.45Å; I138-K141 HydrophobicContact CD1-CD 4.17Å; I138-K141 HydrophobicContact CG2-CB 4.07Å; I138-K141 HydrophobicContact CG2-CD 4.22Å; I138-K141 HydrophobicContact CG2-CG 3.92Å; I138-K141 PolarHBondContact O-N 2.94Å; I138-S142 PolarHBondContact N-OG 3.27Å; I138-S142 WeakPolarHBondContact O-CB 3.36Å; I138-S142 PolarHBondContact O-N 3.02Å; I138-S142 PolarHBondContact O-OG 2.92Å
139W88.2Confident87.3Confident120 Ų12093.8 Ų93.846%0.45545%0.449SS..THydrogen-bonded Turntrans-53.6-31.6-174.564.3-92000114.6I83 L90 W92 H143I83-W139 HydrophobicContact CG1-CH2 4.46Å; L90-W139 HydrophobicContact CD1-CH2 4.03Å; L90-W139 HydrophobicContact CD1-CZ3 3.66Å; W92-W139 HydrophobicContact CH2-CE3 4.07Å; W92-W139 AromaticContact CH2-CZ3 3.73Å; W92-W139 HydrophobicContact CH2-CZ3 3.73Å; W92-W139 AromaticContact CZ2-CE3 3.87Å; W92-W139 HydrophobicContact CZ2-CE3 3.87Å; W92-W139 AromaticContact CZ2-CZ3 3.99Å; W92-W139 HydrophobicContact CZ2-CZ3 3.99Å; W139-H143 PolarHBondContact O-ND1 3.45Å
140Y90.8Very high87.5Confident49 Ų4995.1 Ų95.119%0.19245%0.446CS..THydrogen-bonded Turntrans-91.93.3178.463.7-90.6000114.6I83 I138 H148I83-Y140 HydrophobicContact CD1-CD2 3.45Å; I83-Y140 VanDerWaalsContact CD1-CD2 3.45Å; I83-Y140 HydrophobicContact CD1-CE2 3.94Å; I83-Y140 HydrophobicContact CD1-CG 3.84Å; I83-Y140 HydrophobicContact CG1-CD2 4.35Å; I83-Y140 HydrophobicContact CG1-CG 4.26Å; I138-Y140 HydrophobicContact CG2-CD1 3.43Å; I138-Y140 VanDerWaalsContact CG2-CD1 3.43Å; I138-Y140 HydrophobicContact CG2-CD2 4.12Å; I138-Y140 HydrophobicContact CG2-CE1 3.2Å; I138-Y140 HydrophobicContact CG2-CE2 3.94Å; I138-Y140 HydrophobicContact CG2-CG 3.89Å; I138-Y140 VanDerWaalsContact CG2-CZ 3.47Å; I138-Y140 PolarHBondContact O-N 3.07Å; Y140-H148 PolarHBondContact O-CE1 3.1Å; Y140-H148 PolarHBondContact O-NE2 3.21Å
141K90.7Very high87.8Confident124 Ų12493.1 Ų93.154%0.53944%0.442SS..THydrogen-bonded Turntrans-130.1-36.4-179.9-63.5-172.7179-177.50114I138I138-K141 HydrophobicContact CB-CB 4.16Å; I138-K141 HydrophobicContact CB-CG 4.45Å; I138-K141 HydrophobicContact CD1-CD 4.17Å; I138-K141 HydrophobicContact CG2-CB 4.07Å; I138-K141 HydrophobicContact CG2-CD 4.22Å; I138-K141 HydrophobicContact CG2-CG 3.92Å; I138-K141 PolarHBondContact O-N 2.94Å
142S90.5Very high88.3Confident50 Ų5087.8 Ų87.835%0.3541%0.408SS..SBendtrans-86.2-19.8-168.9-58.30000113.7F137 I138F137-S142 VanDerWaalsContact CD2-CB 3.44Å; I138-S142 PolarHBondContact N-OG 3.27Å; I138-S142 WeakPolarHBondContact O-CB 3.36Å; I138-S142 PolarHBondContact O-N 3.02Å; I138-S142 PolarHBondContact O-OG 2.92Å
143H91.8Very high89.2Confident24 Ų2485.7 Ų85.711%0.11140%0.402CS..SBendtrans-66.9138.2172.6-71.396.1000110.3W92 Y124 F137 W139 N145 V146W92-H143 AromaticContact NE1-CG 3.7Å; W92-H143 AromaticContact NE1-ND1 3.76Å; Y124-H143 AromaticContact CE1-CD2 3.96Å; Y124-H143 AromaticContact CE1-NE2 3.66Å; Y124-H143 AromaticContact CZ-NE2 3.95Å; F137-H143 AromaticContact CE1-CE1 3.92Å; F137-H143 AromaticContact CZ-CE1 3.55Å; F137-H143 AromaticContact CZ-ND1 3.9Å; F137-H143 AromaticContact CZ-NE2 3.77Å; W139-H143 PolarHBondContact O-ND1 3.45Å; H143-N145 VanDerWaalsContact C-N 3.34Å; H143-N145 PolarHBondContact O-N 3.48Å; H143-V146 HydrophobicContact CB-CB 4.27Å; H143-V146 VanDerWaalsContact O-CG1 3.28Å; H143-V146 WeakPolarHBondContact O-CG1 3.21Å
144R91.2Very high89.9Confident178 Ų17882.3 Ų82.367%0.67239%0.39SS*.THydrogen-bonded Turntrans-74.7-26.2-174.2-63.8-175.1177.8-144.7-3.3113.7D123 Y124D123-R144 PolarHBondContact O-N 3.04Å; Y124-R144 PolarHBondContact O-NE 2.71Å
145N94.9Very high90.5Very high19 Ų1983.3 Ų83.310%0.10240%0.399CS..THydrogen-bonded Turntrans-99.58.3-176.461.7-16.4000113.9W92 L93 Y94 A122 D123 H143W92-N145 WeakPolarHBondContact CA-O 3.4Å; L93-N145 PolarHBondContact N-O 3.02Å; L93-N145 VanDerWaalsContact O-CB 3.25Å; L93-N145 WeakPolarHBondContact O-CB 3.3Å; L93-N145 PolarHBondContact O-ND2 3.36Å; Y94-N145 WeakPolarHBondContact CE1-ND2 3.41Å; A122-N145 HydrophobicContact CB-CB 4.43Å; A122-N145 VanDerWaalsContact O-CB 3.27Å; A122-N145 WeakPolarHBondContact O-CB 3.37Å; A122-N145 VanDerWaalsContact O-CG 3.23Å; A122-N145 PolarHBondContact O-N 3.41Å; A122-N145 PolarHBondContact O-OD1 2.82Å; D123-N145 PolarHBondContact OD1-ND2 3Å; D123-N145 PolarHBondContact OD1-OD1 3.29Å; H143-N145 VanDerWaalsContact C-N 3.34Å; H143-N145 PolarHBondContact O-N 3.48Å
146V95.6Very high90.8Very high24 Ų2475.3 Ų75.315%0.14537%0.365CS..EExtended strand (participates in β ladder)trans-77.8128179.572.90000111.1L90 W92 H143L90-V146 HydrophobicContact CD2-CG2 4.35Å; W92-V146 HydrophobicContact CD2-CG2 4.33Å; W92-V146 HydrophobicContact CZ2-CG2 3.83Å; H143-V146 HydrophobicContact CB-CB 4.27Å; H143-V146 VanDerWaalsContact O-CG1 3.28Å; H143-V146 WeakPolarHBondContact O-CG1 3.21Å
147Q95.1Very high90.9Very high80 Ų8072.3 Ų72.337%0.37434%0.343SS..EExtended strand (participates in β ladder)trans-108.3128.4171.5-64.5-171.8-24.300109.9L90 R91 L93 L149L90-Q147 WeakPolarHBondContact CA-O 3.39Å; R91-Q147 HydrophobicContact CB-CB 4.45Å; R91-Q147 PolarHBondContact N-O 3.17Å; R91-Q147 PolarHBondContact O-N 2.91Å; L93-Q147 HydrophobicContact CD1-CG 4.38Å; Q147-L149 HydrophobicContact CB-CD2 4.39Å
148H94.5Very high90.8Very high82 Ų8274.1 Ų74.138%0.3835%0.351SS..EExtended strand (participates in β ladder)trans-84.3114.7168.1-67.3-72000109.2L90 Y140L90-H148 WeakPolarHBondContact CD2-ND1 3.3Å; Y140-H148 PolarHBondContact O-CE1 3.1Å; Y140-H148 PolarHBondContact O-NE2 3.21Å
149L92.8Very high90.4Very high39 Ų3980.3 Ų80.320%0.20437%0.37CS..EExtended strand (participates in β ladder)trans-98.8-174178.9-61.3-178.5000110.5R88 K89 R91 Q147R88-L149 WeakPolarHBondContact CG-O 3.5Å; K89-L149 HydrophobicContact CB-CB 3.96Å; K89-L149 HydrophobicContact CD-CB 4.14Å; K89-L149 HydrophobicContact CD-CD1 3.54Å; K89-L149 HydrophobicContact CD-CG 4.47Å; K89-L149 HydrophobicContact CG-CB 4.13Å; K89-L149 HydrophobicContact CG-CD1 3.95Å; K89-L149 PolarHBondContact O-N 3.17Å; R91-L149 HydrophobicContact CB-CD1 3.75Å; R91-L149 HydrophobicContact CB-CG 4.37Å; Q147-L149 HydrophobicContact CB-CD2 4.39Å
150E91.5Very high90.3Very high115 Ų11574.6 Ų74.654%0.53735%0.349SS..EExtended strand (participates in β ladder)trans-58.8156.618066.7-74.7167.100113.5K89K89-E150 PolarHBondContact N-O 3.47Å; K89-E150 VanDerWaalsContact N-O 3.13Å; K89-E150 IonicContact NZ-OE1 2.8Å; K89-E150 PolarHBondContact NZ-OE1 3.49Å
151K92.7Very high90.1Very high136 Ų13674.2 Ų74.259%0.59135%0.348SS*.EExtended strand (participates in β ladder)trans-81.6137.4171.3-171.5-179.1176-179.40109.2Q86 R87 S153Q86-K151 VanDerWaalsContact O-CE 3.24Å; Q86-K151 WeakPolarHBondContact O-CE 3.49Å; R87-K151 HydrophobicContact CB-CG 4.14Å; R87-K151 CarbonylContact O-C 3.49Å; R87-K151 WeakPolarHBondContact O-CA 3.14Å; R87-K151 VanDerWaalsContact O-CG 3.29Å; R87-K151 WeakPolarHBondContact O-CG 3.28Å; K151-S153 PolarHBondContact O-N 2.87Å
152Y89Confident89.7Confident10 Ų1071.4 Ų71.44%0.03934%0.337CS..PPolyproline II helixtrans-62133.9171.2-67.5-68.6000110.6M82 R87 K89 E156 W157 V160M82-Y152 HydrophobicContact CB-CE2 4.37Å; M82-Y152 HydrophobicContact CE-CE2 4.09Å; M82-Y152 HydrophobicContact SD-CE2 4.08Å; R87-Y152 WeakPolarHBondContact O-CD2 3.32Å; R87-Y152 PolarHBondContact O-N 2.77Å; K89-Y152 HydrophobicContact CB-CE2 4.16Å; K89-Y152 WeakPolarHBondContact CE-OH 3.15Å; Y152-E156 VanDerWaalsContact CD1-CD 3.46Å; Y152-E156 HydrophobicContact CD1-CG 3.81Å; Y152-E156 HydrophobicContact CE1-CG 4.48Å; Y152-W157 AromaticContact CD2-CE3 3.84Å; Y152-W157 HydrophobicContact CD2-CE3 3.84Å; Y152-W157 AromaticContact CD2-CZ3 3.98Å; Y152-W157 HydrophobicContact CD2-CZ3 3.98Å; Y152-W157 HydrophobicContact CE2-CZ3 4.48Å; Y152-W157 HydrophobicContact CG-CE3 4.22Å; Y152-V160 HydrophobicContact CD1-CG2 4.24Å; Y152-V160 HydrophobicContact CE1-CG1 4.18Å; Y152-V160 HydrophobicContact CE1-CG2 4.01Å; Y152-V160 HydrophobicContact CE2-CG1 4.2Å
153S91.3Very high89.1Confident56 Ų5675 Ų7539%0.39234%0.343SS..PPolyproline II helixtrans-63.8159168.965.60000110.9K151 T155 E156 W157K151-S153 PolarHBondContact O-N 2.87Å; S153-T155 VanDerWaalsContact C-N 3.26Å; S153-T155 PolarHBondContact O-N 2.97Å; S153-T155 PolarHBondContact OG-OG1 2.93Å; S153-E156 PolarHBondContact O-N 2.77Å; S153-E156 WeakPolarHBondContact OG-CB 3.34Å; S153-E156 PolarHBondContact OG-N 2.86Å; S153-W157 WeakPolarHBondContact O-CB 3.27Å; S153-W157 PolarHBondContact O-N 3.13Å
154D88.8Confident88.1Confident106 Ų10674.6 Ų74.657%0.56734%0.344SS*.Hα-helixtrans-60.3-36.6-179.7-71.5-37.4000113.1R87 K158R87-D154 IonicContact CZ-OD1 2.9Å; R87-D154 IonicContact NH1-OD1 2.94Å; R87-D154 PolarHBondContact NH1-OD1 3.28Å; D154-K158 WeakPolarHBondContact O-CG 3.34Å; D154-K158 PolarHBondContact O-N 2.62Å
155T87.9Confident86.6Confident97 Ų9772.7 Ų72.760%0.59534%0.342SS*.Hα-helixtrans-71.1-38.3178.152.50000111.6S153S153-T155 VanDerWaalsContact C-N 3.26Å; S153-T155 PolarHBondContact O-N 2.97Å; S153-T155 PolarHBondContact OG-OG1 2.93Å
156E86.5Confident84.6Confident46 Ų4672.5 Ų72.522%0.21534%0.343CS..Hα-helixtrans-72.7-40.8177-174.4175.9-163.500112K30 Y152 S153 K158 R159 V160K30-E156 WeakPolarHBondContact CE-OE1 3.2Å; K30-E156 IonicContact NZ-OE1 2.63Å; K30-E156 PolarHBondContact NZ-OE1 3.37Å; Y152-E156 VanDerWaalsContact CD1-CD 3.46Å; Y152-E156 HydrophobicContact CD1-CG 3.81Å; Y152-E156 HydrophobicContact CE1-CG 4.48Å; S153-E156 PolarHBondContact O-N 2.77Å; S153-E156 WeakPolarHBondContact OG-CB 3.34Å; S153-E156 PolarHBondContact OG-N 2.86Å; E156-K158 VanDerWaalsContact C-N 3.26Å; E156-K158 PolarHBondContact O-N 2.07Å; E156-R159 WeakPolarHBondContact O-CA 3.32Å; E156-R159 WeakPolarHBondContact O-CB 3.2Å; E156-R159 PolarHBondContact O-N 3.19Å; E156-V160 HydrophobicContact CG-CG2 3.88Å; E156-V160 WeakPolarHBondContact O-CG2 3.36Å; E156-V160 PolarHBondContact O-N 2.96Å
157W88.4Confident82.4Confident30 Ų3073.3 Ų73.311%0.11434%0.344CS..Hα-helixtrans-56.1-41.9178.4-178.6-109.1000111.8M82 P84 R87 Y152 S153 R159 V160 F161M82-W157 HydrophobicContact SD-CH2 4.14Å; M82-W157 HydrophobicContact SD-CZ3 3.76Å; P84-W157 HydrophobicContact CB-CH2 4.18Å; R87-W157 HydrophobicContact CB-CD2 4.14Å; R87-W157 HydrophobicContact CB-CE3 3.89Å; R87-W157 HydrophobicContact CB-CZ3 4.18Å; R87-W157 HydrophobicContact CG-CD2 3.71Å; R87-W157 HydrophobicContact CG-CE3 3.94Å; R87-W157 HydrophobicContact CG-CG 4.18Å; R87-W157 HydrophobicContact CG-CH2 4.36Å; R87-W157 HydrophobicContact CG-CZ2 4.14Å; R87-W157 HydrophobicContact CG-CZ3 4.26Å; Y152-W157 AromaticContact CD2-CE3 3.84Å; Y152-W157 HydrophobicContact CD2-CE3 3.84Å; Y152-W157 AromaticContact CD2-CZ3 3.98Å; Y152-W157 HydrophobicContact CD2-CZ3 3.98Å; Y152-W157 HydrophobicContact CE2-CZ3 4.48Å; Y152-W157 HydrophobicContact CG-CE3 4.22Å; S153-W157 WeakPolarHBondContact O-CB 3.27Å; S153-W157 PolarHBondContact O-N 3.13Å; W157-R159 PolarHBondContact O-N 3.02Å; W157-V160 PolarHBondContact O-N 2.9Å; W157-F161 HydrophobicContact CD2-CB 4.04Å; W157-F161 AromaticContact CE2-CG 3.96Å; W157-F161 HydrophobicContact CE3-CB 4.37Å; W157-F161 HydrophobicContact CH2-CB 4.04Å; W157-F161 AromaticContact CH2-CD2 3.71Å; W157-F161 HydrophobicContact CH2-CD2 3.71Å; W157-F161 HydrophobicContact CH2-CG 4.19Å; W157-F161 HydrophobicContact CZ2-CB 3.69Å; W157-F161 AromaticContact CZ2-CD2 3.41Å; W157-F161 HydrophobicContact CZ2-CD2 3.41Å; W157-F161 VanDerWaalsContact CZ2-CD2 3.41Å; W157-F161 HydrophobicContact CZ2-CE2 4.25Å; W157-F161 AromaticContact CZ2-CG 3.64Å; W157-F161 HydrophobicContact CZ2-CG 3.64Å; W157-F161 HydrophobicContact CZ3-CB 4.37Å; W157-F161 WeakPolarHBondContact O-CB 3.47Å; W157-F161 PolarHBondContact O-N 2.79Å
158K84.5Confident79.9Confident114 Ų11476.6 Ų76.650%0.49636%0.359SS..Hα-helixtrans-57.4-31.3173-75.8176.3-175.91790113.3D154 E156 Q187D154-K158 WeakPolarHBondContact O-CG 3.34Å; D154-K158 PolarHBondContact O-N 2.62Å; E156-K158 VanDerWaalsContact C-N 3.26Å; E156-K158 PolarHBondContact O-N 2.07Å; K158-Q187 VanDerWaalsContact C-OE1 3.27Å; K158-Q187 PolarHBondContact O-NE2 3.24Å; K158-Q187 PolarHBondContact O-OE1 2.75Å
159R82.5Confident77.4Confident187 Ų18774.3 Ų74.371%0.70635%0.35SS*.Hα-helixtrans-86.3-35.1178.7-61.8179.3-174.6173.31.5112.2E156 W157 Q162E156-R159 WeakPolarHBondContact O-CA 3.32Å; E156-R159 WeakPolarHBondContact O-CB 3.2Å; E156-R159 PolarHBondContact O-N 3.19Å; W157-R159 PolarHBondContact O-N 3.02Å; R159-Q162 PolarHBondContact O-NE2 3.19Å
160V85.6Confident75Confident0 Ų076.2 Ų76.20%037%0.366CS..Hα-helixtrans-80.7-37.6-174.3170.20000112.1L28 G29 K30 M82 Y152 E156 W157L28-V160 CarbonylContact C-O 3.51Å; L28-V160 VanDerWaalsContact CA-O 3.29Å; L28-V160 WeakPolarHBondContact CA-O 3.03Å; G29-V160 PolarHBondContact N-O 2.92Å; K30-V160 HydrophobicContact CG-CG2 3.89Å; M82-V160 HydrophobicContact CE-CG1 4.02Å; M82-V160 HydrophobicContact SD-CG1 4.4Å; Y152-V160 HydrophobicContact CD1-CG2 4.24Å; Y152-V160 HydrophobicContact CE1-CG1 4.18Å; Y152-V160 HydrophobicContact CE1-CG2 4.01Å; Y152-V160 HydrophobicContact CE2-CG1 4.2Å; E156-V160 HydrophobicContact CG-CG2 3.88Å; E156-V160 WeakPolarHBondContact O-CG2 3.36Å; E156-V160 PolarHBondContact O-N 2.96Å; W157-V160 PolarHBondContact O-N 2.9Å
161F86.3Confident72.6Confident41 Ų4174.9 Ų74.918%0.1836%0.362CS..EExtended strand (participates in β ladder)trans-97.2114.5-178.3-178.6-89000110.7W26 L28 W157 R163W26-F161 HydrophobicContact CD2-CE2 4.33Å; W26-F161 AromaticContact CE3-CE2 3.54Å; W26-F161 HydrophobicContact CE3-CE2 3.54Å; W26-F161 AromaticContact CE3-CZ 3.86Å; W26-F161 HydrophobicContact CE3-CZ 3.86Å; W26-F161 AromaticContact CZ3-CE2 3.82Å; W26-F161 HydrophobicContact CZ3-CE2 3.82Å; W26-F161 HydrophobicContact CZ3-CZ 4.28Å; L28-F161 HydrophobicContact CD2-CB 4.22Å; L28-F161 HydrophobicContact CD2-CD2 3.1Å; L28-F161 HydrophobicContact CD2-CE2 3.62Å; L28-F161 HydrophobicContact CD2-CG 3.96Å; W157-F161 HydrophobicContact CD2-CB 4.04Å; W157-F161 AromaticContact CE2-CG 3.96Å; W157-F161 HydrophobicContact CE3-CB 4.37Å; W157-F161 HydrophobicContact CH2-CB 4.04Å; W157-F161 AromaticContact CH2-CD2 3.71Å; W157-F161 HydrophobicContact CH2-CD2 3.71Å; W157-F161 HydrophobicContact CH2-CG 4.19Å; W157-F161 HydrophobicContact CZ2-CB 3.69Å; W157-F161 AromaticContact CZ2-CD2 3.41Å; W157-F161 HydrophobicContact CZ2-CD2 3.41Å; W157-F161 VanDerWaalsContact CZ2-CD2 3.41Å; W157-F161 HydrophobicContact CZ2-CE2 4.25Å; W157-F161 AromaticContact CZ2-CG 3.64Å; W157-F161 HydrophobicContact CZ2-CG 3.64Å; W157-F161 HydrophobicContact CZ3-CB 4.37Å; W157-F161 WeakPolarHBondContact O-CB 3.47Å; W157-F161 PolarHBondContact O-N 2.79Å; F161-R163 HydrophobicContact CE1-CG 3.86Å; F161-R163 HydrophobicContact CZ-CG 4.07Å
162Q82.3Confident70Confident66 Ų6677.9 Ų77.931%0.30837%0.37SS..EExtended strand (participates in β ladder)trans-131.4119.5179.4-57.8177.633.400110.3W26 V27 R159 F167W26-Q162 CarbonylContact C-O 3.57Å; W26-Q162 VanDerWaalsContact CA-O 3.28Å; W26-Q162 WeakPolarHBondContact CA-O 3.09Å; W26-Q162 WeakPolarHBondContact CB-O 3.46Å; V27-Q162 HydrophobicContact CB-CB 4.4Å; V27-Q162 PolarHBondContact N-O 3.07Å; V27-Q162 PolarHBondContact O-N 3.46Å; R159-Q162 PolarHBondContact O-NE2 3.19Å; Q162-F167 HydrophobicContact CB-CE2 3.92Å
163R78.8Confident67.7Low125 Ų12582 Ų8247%0.47239%0.386SS..EExtended strand (participates in β ladder)trans-76.6138.1168.8-73.2-174.8178.6-1700.4109.7F161 Q165 C166F161-R163 HydrophobicContact CE1-CG 3.86Å; F161-R163 HydrophobicContact CZ-CG 4.07Å; R163-Q165 PolarHBondContact O-N 2.91Å; R163-C166 WeakPolarHBondContact O-CB 3.43Å; R163-C166 PolarHBondContact O-N 3.41Å
164A70.1Confident65.2Low16 Ų1683.6 Ų83.613%0.13240%0.398CS..G310 helixtrans-60.8-33.8-179.500000113L24 Y25 C166 F167L24-A164 VanDerWaalsContact C-CB 3.41Å; L24-A164 HydrophobicContact CB-CB 3.91Å; L24-A164 HydrophobicContact CD2-CB 4.09Å; L24-A164 HydrophobicContact CG-CB 3.78Å; L24-A164 WeakPolarHBondContact O-CB 3.36Å; Y25-A164 VanDerWaalsContact O-CB 3.3Å; Y25-A164 WeakPolarHBondContact O-CB 3.49Å; Y25-A164 PolarHBondContact O-N 3.2Å; A164-C166 PolarHBondContact O-N 3.03Å; A164-C166 VanDerWaalsContact O-N 3.09Å; A164-F167 WeakPolarHBondContact O-CB 3.45Å; A164-F167 PolarHBondContact O-N 3.24Å
165Q59.2Low62.9Low137 Ų13787.9 Ų87.964%0.6441%0.411SS*.G310 helixtrans-57.6-23.8173.9-70.5175.1-1700113R163R163-Q165 PolarHBondContact O-N 2.91Å
166C53.3Low60.6Low16 Ų1691.3 Ų91.311%0.10842%0.418CS..G310 helixtrans-84.2-15.5175.9-71.10000113.3R163 A164 I169 S170 Y185 C190R163-C166 WeakPolarHBondContact O-CB 3.43Å; R163-C166 PolarHBondContact O-N 3.41Å; A164-C166 PolarHBondContact O-N 3.03Å; A164-C166 VanDerWaalsContact O-N 3.09Å; C166-I169 PolarHBondContact O-N 2.78Å; C166-S170 PolarHBondContact O-N 2.65Å; C166-Y185 WeakPolarHBondContact CB-OH 3.37Å; C166-Y185 PolarHBondContact SG-OH 2.81Å; C166-C190 VanDerWaalsContact CA-SG 3.59Å; C166-C190 HydrophobicContact CB-CB 4.33Å; C166-C190 WeakPolarHBondContact CB-SG 3.5Å; C166-C190 WeakPolarHBondContact SG-CB 3.43Å; C166-C190 CovalentContact SG-SG 2.07Å; C166-C190 PolarHBondContact SG-SG 3.18Å
167F50.3Low58.4Low40 Ų4092.3 Ų92.318%0.17542%0.424CS..Hα-helixtrans-69.6-32.3-178.4-98.5-91.9000113.2I13 V27 Q162 A164 I169 S170 L171I13-F167 HydrophobicContact CG2-CE1 4.08Å; I13-F167 HydrophobicContact CG2-CZ 4.04Å; V27-F167 HydrophobicContact CB-CE2 4.44Å; V27-F167 HydrophobicContact CG2-CE2 3.99Å; V27-F167 HydrophobicContact CG2-CZ 4.44Å; Q162-F167 HydrophobicContact CB-CE2 3.92Å; A164-F167 WeakPolarHBondContact O-CB 3.45Å; A164-F167 PolarHBondContact O-N 3.24Å; F167-I169 PolarHBondContact O-N 2.91Å; F167-S170 PolarHBondContact O-N 3.32Å; F167-L171 HydrophobicContact CD1-CD1 4.41Å; F167-L171 PolarHBondContact O-N 3.12Å
168E41.2Very low56.1Low149 Ų14996.2 Ų96.270%0.69646%0.456SS*.Hα-helixtrans-63.7-30.3179.2-72.9-160.5144.400112.6R172E168-R172 PolarHBondContact O-N 3.48Å
169I42.8Very low54.2Low35 Ų35101.5 Ų101.518%0.17947%0.473CS..Hα-helixtrans-79.1-43.5179.4-56.3175.4000110.2C166 F167 L171 Y173 Y185 C190C166-I169 PolarHBondContact O-N 2.78Å; F167-I169 PolarHBondContact O-N 2.91Å; I169-L171 VanDerWaalsContact C-N 3.33Å; I169-L171 PolarHBondContact O-N 3.39Å; I169-Y173 HydrophobicContact CG2-CD2 3.91Å; I169-Y173 HydrophobicContact CG2-CE2 3.94Å; I169-Y173 WeakPolarHBondContact O-CD2 3.44Å; I169-Y173 PolarHBondContact O-N 2.77Å; I169-Y185 HydrophobicContact CG2-CE2 4.24Å; I169-C190 HydrophobicContact CD1-CB 4.18Å; I169-C190 WeakPolarHBondContact CD1-O 3.29Å
170S42.8Very low52.4Low78 Ų7897.4 Ų97.455%0.54547%0.469SS..Hα-helixtrans-59.5-41.8178.5165.60000113C166 F167 S174C166-S170 PolarHBondContact O-N 2.65Å; F167-S170 PolarHBondContact O-N 3.32Å; S170-S174 PolarHBondContact O-N 2.87Å
171L40.8Very low50Low87 Ų87102.1 Ų102.146%0.45549%0.49SS..Hα-helixtrans-82.3-27.7-174.2-72.6169.9000114.3F167 I169 S174F167-L171 HydrophobicContact CD1-CD1 4.41Å; F167-L171 PolarHBondContact O-N 3.12Å; I169-L171 VanDerWaalsContact C-N 3.33Å; I169-L171 PolarHBondContact O-N 3.39Å; L171-S174 PolarHBondContact O-OG 3.12Å
172R38.1Very low47.4Very low200 Ų200104.9 Ų104.976%0.75551%0.512SS*.Hα-helixtrans-72.1-33.5174.2-88.4-173.6179.4-150.32.1112.6E168E168-R172 PolarHBondContact O-N 3.48Å
173Y40.3Very low45.2Very low95 Ų95104.7 Ų104.737%0.37351%0.513SS..Hα-helixtrans-88.1-22.7-173.6-77-91000114.5I169 K175 F176 L177 L192I169-Y173 HydrophobicContact CG2-CD2 3.91Å; I169-Y173 HydrophobicContact CG2-CE2 3.94Å; I169-Y173 WeakPolarHBondContact O-CD2 3.44Å; I169-Y173 PolarHBondContact O-N 2.77Å; Y173-K175 PolarHBondContact O-N 3.01Å; Y173-F176 PolarHBondContact O-N 2.95Å; Y173-L177 HydrophobicContact CD1-CD1 4.03Å; Y173-L177 HydrophobicContact CE1-CD1 4.46Å; Y173-L177 PolarHBondContact O-N 3.25Å; Y173-L192 HydrophobicContact CD1-CD2 4.11Å; Y173-L192 HydrophobicContact CE1-CD2 3.58Å; Y173-L192 HydrophobicContact CE2-CD2 4.17Å
174S39.8Very low43.2Very low91 Ų91103.3 Ų103.364%0.63652%0.518SS*.Hα-helixtrans-62.3-27.9171.367.70000112.5S170 L171S170-S174 PolarHBondContact O-N 2.87Å; L171-S174 PolarHBondContact O-OG 3.12Å
175K39.3Very low41.6Very low195 Ų195106 Ų10685%0.84853%0.525SS*.THydrogen-bonded Turntrans-79.2-22.2172.1-88.9-173.1175.2-175.60114.3Y173Y173-K175 PolarHBondContact O-N 3.01Å
176F40.5Very low40.5Very low169 Ų169102.4 Ų102.474%0.74151%0.51SS*.THydrogen-bonded Turntrans-104.6-24.7-167.4-146.5-97.8000114.9Y173Y173-F176 PolarHBondContact O-N 2.95Å
177L39.3Very low40Very low67 Ų67105.1 Ų105.135%0.35152%0.521SS..  trans-136.255.9-168.1-69174.3000114.6Y173 R179 L183Y173-L177 HydrophobicContact CD1-CD1 4.03Å; Y173-L177 HydrophobicContact CE1-CD1 4.46Å; Y173-L177 PolarHBondContact O-N 3.25Å; L177-R179 PolarHBondContact O-N 3.13Å; L177-L183 HydrophobicContact CD1-CD1 4.43Å
178S40.9Very low39.5Very low112 Ų112109.7 Ų109.778%0.78355%0.547SS*.SBendtrans-749.5166.880.60000114.2
179R45Very low39.3Very low225 Ų225109.7 Ų109.785%0.84955%0.545SS*.SBendtrans-136.7-5.7-168-85.9-165.6177.4-173.4-0.2123L177L177-R179 PolarHBondContact O-N 3.13Å
180T43.3Very low39.1Very low102 Ų102109 Ų10963%0.62654%0.544SS*.SBendtrans-149.7-14-175.917.30000121.3
181F35Very low38.6Very low99 Ų99109.4 Ų109.443%0.43453%0.533SS..  trans-144.7135-177.6-64.2-80.1000113.4L183 A195F181-L183 PolarHBondContact O-N 2.9Å; F181-A195 WeakPolarHBondContact CD1-O 3.13Å
182P32.2Very low38.4Very low99 Ų99106 Ų10664%0.64352%0.516SS*.  trans-71.2118.4168.827.9-29.9000109.7
183L37.3Very low38.2Very low62 Ų6299.1 Ų99.133%0.32549%0.493SS..EExtended strand (participates in β ladder)trans-92.4130.8175.7-68.5165.9000110L177 F181 L192 I194L177-L183 HydrophobicContact CD1-CD1 4.43Å; F181-L183 PolarHBondContact O-N 2.9Å; L183-L192 HydrophobicContact CB-CD1 4.44Å; L183-L192 HydrophobicContact CD1-CD1 4.02Å; L183-L192 HydrophobicContact CD2-CD1 3.97Å; L183-L192 HydrophobicContact CD2-CD2 4.26Å; L183-L192 HydrophobicContact CD2-CG 3.97Å; L183-L192 HydrophobicContact CG-CD1 4.37Å; L183-I194 HydrophobicContact CD2-CB 4.28Å; L183-I194 HydrophobicContact CD2-CG1 3.83Å
184V34.9Very low37.9Very low95 Ų9596.8 Ų96.858%0.57649%0.487SS*.EExtended strand (participates in β ladder)trans-101.6108.6166.3-178.70000107.6I193V184-I193 PolarHBondContact N-O 3.4Å; V184-I193 WeakPolarHBondContact O-CB 3.24Å; V184-I193 PolarHBondContact O-N 2.86Å
185Y37.8Very low37.5Very low73 Ų7394.5 Ų94.529%0.28647%0.473SS..EExtended strand (participates in β ladder)trans-85.3121.5178.2-175.5-112.3000110.9C166 I169 Q187 C190 L192C166-Y185 WeakPolarHBondContact CB-OH 3.37Å; C166-Y185 PolarHBondContact SG-OH 2.81Å; I169-Y185 HydrophobicContact CG2-CE2 4.24Å; Y185-Q187 HydrophobicContact CD1-CG 3.56Å; Y185-Q187 HydrophobicContact CE1-CB 4.32Å; Y185-Q187 HydrophobicContact CE1-CG 3.59Å; Y185-C190 WeakPolarHBondContact OH-CA 3.32Å; Y185-L192 HydrophobicContact CD2-CD1 4.5Å
186N36.1Very low36.9Very low61 Ų6189.2 Ų89.233%0.32646%0.46SS..EExtended strand (participates in β ladder)trans-96.7101.4174.8-170.8-19.3000110.5N188 F189 C190 R191N186-N188 VanDerWaalsContact C-N 3.3Å; N186-N188 PolarHBondContact O-N 3.36Å; N186-N188 PolarHBondContact OD1-N 2.65Å; N186-F189 PolarHBondContact O-N 3.25Å; N186-C190 PolarHBondContact O-N 3.31Å; N186-R191 PolarHBondContact N-O 2.64Å; N186-R191 VanDerWaalsContact N-O 3.07Å; N186-R191 PolarHBondContact O-N 3.34Å
187Q42.7Very low36.2Very low73 Ų7383.6 Ų83.634%0.34145%0.449SS..THydrogen-bonded Turntrans-66.7-23-176.2-67.9175.6-23.100114.8K158 Y185 F189K158-Q187 VanDerWaalsContact C-OE1 3.27Å; K158-Q187 PolarHBondContact O-NE2 3.24Å; K158-Q187 PolarHBondContact O-OE1 2.75Å; Y185-Q187 HydrophobicContact CD1-CG 3.56Å; Y185-Q187 HydrophobicContact CE1-CB 4.32Å; Y185-Q187 HydrophobicContact CE1-CG 3.59Å; Q187-F189 PolarHBondContact O-N 2.85Å
188N39.3Very low35.5Very low136 Ų13687.9 Ų87.973%0.72747%0.467SS*.THydrogen-bonded Turntrans-69.2-25.5178.8-74.3-18.3000112.1N186N186-N188 VanDerWaalsContact C-N 3.3Å; N186-N188 PolarHBondContact O-N 3.36Å; N186-N188 PolarHBondContact OD1-N 2.65Å
189F36.9Very low34.9Very low149 Ų14988 Ų8865%0.65447%0.465SS*.THydrogen-bonded Turntrans-120.15.1-176.2-69.7-80.4000113.5N186 Q187 R191N186-F189 PolarHBondContact O-N 3.25Å; Q187-F189 PolarHBondContact O-N 2.85Å; F189-R191 HydrophobicContact CB-CB 4.13Å; F189-R191 HydrophobicContact CB-CG 3.89Å; F189-R191 PolarHBondContact O-N 3.26Å
190C38.6Very low34Very low22 Ų2287.3 Ų87.315%0.14947%0.469CS..THydrogen-bonded Turntrans41.835.4-162.9-560000112.3C166 I169 Y185 N186C166-C190 VanDerWaalsContact CA-SG 3.59Å; C166-C190 HydrophobicContact CB-CB 4.33Å; C166-C190 WeakPolarHBondContact CB-SG 3.5Å; C166-C190 WeakPolarHBondContact SG-CB 3.43Å; C166-C190 CovalentContact SG-SG 2.07Å; C166-C190 PolarHBondContact SG-SG 3.18Å; I169-C190 HydrophobicContact CD1-CB 4.18Å; I169-C190 WeakPolarHBondContact CD1-O 3.29Å; Y185-C190 WeakPolarHBondContact OH-CA 3.32Å; N186-C190 PolarHBondContact O-N 3.31Å
191R31.4Very low33.1Very low85 Ų8588 Ų8832%0.32148%0.477SS..EExtended strand (participates in β ladder)trans-91.6130.2-178-87.1-174.9179.8-167.55.9110.8N186 F189 D236N186-R191 PolarHBondContact N-O 2.64Å; N186-R191 VanDerWaalsContact N-O 3.07Å; N186-R191 PolarHBondContact O-N 3.34Å; F189-R191 HydrophobicContact CB-CB 4.13Å; F189-R191 HydrophobicContact CB-CG 3.89Å; F189-R191 PolarHBondContact O-N 3.26Å; R191-D236 IonicContact CZ-OD1 2.65Å; R191-D236 IonicContact CZ-OD2 3.93Å; R191-D236 IonicContact NE-OD1 3.9Å; R191-D236 PolarHBondContact NE-OD1 2.63Å; R191-D236 IonicContact NH2-OD1 2.64Å; R191-D236 PolarHBondContact NH2-OD1 3.28Å; R191-D236 IonicContact NH2-OD2 3.36Å; R191-D236 PolarHBondContact NH2-OD2 3.27Å
192L36.9Very low32.7Very low17 Ų1787.1 Ų87.19%0.08949%0.488CS..EExtended strand (participates in β ladder)trans-86.2115.4169.7-168.374.2000108.8Y173 L183 Y185 I194Y173-L192 HydrophobicContact CD1-CD2 4.11Å; Y173-L192 HydrophobicContact CE1-CD2 3.58Å; Y173-L192 HydrophobicContact CE2-CD2 4.17Å; L183-L192 HydrophobicContact CB-CD1 4.44Å; L183-L192 HydrophobicContact CD1-CD1 4.02Å; L183-L192 HydrophobicContact CD2-CD1 3.97Å; L183-L192 HydrophobicContact CD2-CD2 4.26Å; L183-L192 HydrophobicContact CD2-CG 3.97Å; L183-L192 HydrophobicContact CG-CD1 4.37Å; Y185-L192 HydrophobicContact CD2-CD1 4.5Å; L192-I194 HydrophobicContact CD2-CG1 4.36Å
193I34.2Very low32.3Very low55 Ų5587.9 Ų87.928%0.28249%0.493SS..EExtended strand (participates in β ladder)trans-97.2110.4170.8-53.9174.6000107.3V184 A195V184-I193 PolarHBondContact N-O 3.4Å; V184-I193 WeakPolarHBondContact O-CB 3.24Å; V184-I193 PolarHBondContact O-N 2.86Å; I193-A195 PolarHBondContact O-N 3.28Å
194I34.7Very low31.7Very low46 Ų4695.5 Ų95.524%0.23652%0.523CS..EExtended strand (participates in β ladder)trans-80.4108.7166.2-52.7-175.4000106.9L183 L192 C196 F235L183-I194 HydrophobicContact CD2-CB 4.28Å; L183-I194 HydrophobicContact CD2-CG1 3.83Å; L192-I194 HydrophobicContact CD2-CG1 4.36Å; I194-C196 PolarHBondContact O-N 3.42Å; I194-C196 VanDerWaalsContact O-N 3.16Å; I194-F235 HydrophobicContact CD1-CD2 4.24Å; I194-F235 HydrophobicContact CD1-CE2 3.77Å; I194-F235 HydrophobicContact CG1-CE2 4.5Å
195A30.1Very low31.2Very low42 Ų4294.5 Ų94.535%0.34753%0.532SS..  trans-74.1102.216600000107.6F181 I193 G197F181-A195 WeakPolarHBondContact CD1-O 3.13Å; I193-A195 PolarHBondContact O-N 3.28Å; A195-G197 PolarHBondContact O-N 2.74Å
196C27Very low30.6Very low85 Ų8594.7 Ų94.757%0.57455%0.549SS*.  trans-66.787.4166.3-68.80000108.3I194I194-C196 PolarHBondContact O-N 3.42Å; I194-C196 VanDerWaalsContact O-N 3.16Å
197G25.8Very low30Very low50 Ų50100.2 Ų100.252%0.51558%0.577SS.*  trans-67.2142.4168.900000110.5A195A195-G197 PolarHBondContact O-N 2.74Å
198Q26.2Very low29.1Very low157 Ų157102.3 Ų102.373%0.73460%0.599SS**  trans-46.7151.3-171-70.5-158-61.700115.8F200Q198-F200 PolarHBondContact O-N 2.8Å
199P27.7Very low28.3Very low114 Ų114100.7 Ų100.774%0.7460%0.598SS**  trans-69.3104.6-172.328.9-34000110.5C201P199-C201 VanDerWaalsContact C-N 3.34Å; P199-C201 PolarHBondContact O-N 3.34Å
200F25.7Very low28Very low211 Ų21199 Ų9993%0.92560%0.602SS**  trans-67.2101.8155-90.6-89.7000107.1Q198 A202Q198-F200 PolarHBondContact O-N 2.8Å; F200-A202 PolarHBondContact O-N 3.36Å
201C24.5Very low27.3Very low118 Ų118102.4 Ų102.480%0.79763%0.632SS**  trans-50.2109.3172.3-67.10000109.8P199P199-C201 VanDerWaalsContact C-N 3.34Å; P199-C201 PolarHBondContact O-N 3.34Å
202A26.3Very low27Very low79 Ų79106.9 Ų106.965%0.65366%0.658SS**  trans-65.8137.5165.300000108.8F200F200-A202 PolarHBondContact O-N 3.36Å
203P24.6Very low26.5Very low116 Ų116113.9 Ų113.975%0.75369%0.689SS**  trans-63.8144.6-178.321.6-28.6000111.9G205P203-G205 PolarHBondContact O-N 3.42Å
204K24.6Very low26Very low222 Ų222116.2 Ų116.297%0.96571%0.709SS**THydrogen-bonded Turntrans-44.6119.2-178-71.8176.8174.1178.50111.5
205G24.4Very low25.7Very low73 Ų73118.9 Ų118.975%0.75373%0.732SS**THydrogen-bonded Turntrans135.2-11.9169.700000116.1P203 L207P203-G205 PolarHBondContact O-N 3.42Å; G205-L207 PolarHBondContact O-N 3.31Å; G205-L207 VanDerWaalsContact O-N 3.1Å
206A24.3Very low25.5Very low78 Ų78122.8 Ų122.865%0.64575%0.747SS**  trans-7798.2174.400000110.9C208A206-C208 PolarHBondContact O-N 3.33Å; A206-C208 VanDerWaalsContact O-N 3.07Å
207L23.4Very low25.4Very low176 Ų176123.1 Ų123.192%0.92175%0.749SS**  trans-65.395.9164.7-83.8144.5000109.1G205 S209G205-L207 PolarHBondContact O-N 3.31Å; G205-L207 VanDerWaalsContact O-N 3.1Å; L207-S209 PolarHBondContact O-N 3.37Å
208C24.9Very low25.2Very low118 Ų118129.6 Ų129.680%0.79776%0.763SS**  trans-68.3110.5165.3-75.80000108.8A206A206-C208 PolarHBondContact O-N 3.33Å; A206-C208 VanDerWaalsContact O-N 3.07Å
209S22.3Very low25.1Very low101 Ų101129.6 Ų129.671%0.70677%0.768SS**  trans-63.6128.2173.3-169.10000110L207 A211L207-S209 PolarHBondContact O-N 3.37Å; S209-A211 PolarHBondContact O-N 3.34Å; S209-A211 VanDerWaalsContact O-N 3.1Å
210P30.4Very low25Very low114 Ų114129.9 Ų129.974%0.7477%0.772SS**G310 helixtrans-73.81.6-170.8-14.729.1000115.6M212P210-M212 VanDerWaalsContact C-N 3.3Å; P210-M212 PolarHBondContact O-N 3.16Å; P210-M212 VanDerWaalsContact O-N 3.17Å
211A24.5Very low24.9Very low93 Ų93122.8 Ų122.877%0.76976%0.758SS**G310 helixtrans-78.42.3-165.700000116.3S209S209-A211 PolarHBondContact O-N 3.34Å; S209-A211 VanDerWaalsContact O-N 3.1Å
212M24.2Very low24.9Very low179 Ų179125.5 Ų125.588%0.88276%0.763SS**G310 helixtrans-119.26.2175.8-89.4-165.8-174.100115.6P210P210-M212 VanDerWaalsContact C-N 3.3Å; P210-M212 PolarHBondContact O-N 3.16Å; P210-M212 VanDerWaalsContact O-N 3.17Å
213F26.3Very low24.8Very low165 Ų165128.2 Ų128.272%0.72477%0.771SS**  trans-134.161.5-178.2-79.1-88.5000111.9
214S25Very low24.8Very low103 Ų103127 Ų12772%0.7277%0.765SS**SBendtrans-101.8-5.8175.478.70000115.4
215S26.7Very low25.2Very low103 Ų103122.6 Ų122.672%0.7276%0.759SS**SBendtrans-119.2-0.8-174.155.50000116.7
216L27.7Very low25.3Very low124 Ų124129.8 Ų129.865%0.64976%0.764SS**SBendtrans-131.310.3-176.2-86158.6000116.1F235L216-F235 HydrophobicContact CD2-CE1 4.08Å; L216-F235 HydrophobicContact CD2-CZ 4.29Å
217C23.2Very low25.5Very low92 Ų92134 Ų13462%0.62277%0.77SS**  trans-123.550.5172.2-68.90000111.7
218F23.3Very low25.6Very low186 Ų186133.5 Ų133.582%0.81677%0.767SS**SBendtrans-91.8121.6161.6-93.2-90.4000108.5
219N23.9Very low25.8Very low156 Ų156135.7 Ų135.783%0.83476%0.763SS**  trans80.950.2179.2-63.8-22.9000118.3G221N219-G221 VanDerWaalsContact C-N 3.27Å; N219-G221 PolarHBondContact O-N 2.86Å
220C23.7Very low26.1Very low121 Ų121136.1 Ų136.182%0.81877%0.766SS**  trans-85.378.3142.3-85.70000108.5I222C220-I222 PolarHBondContact O-N 3Å
221G24Very low26.1Very low61 Ų61141.5 Ų141.563%0.62977%0.772SS**  trans-62.9122.6166.600000109.1N219 V223N219-G221 VanDerWaalsContact C-N 3.27Å; N219-G221 PolarHBondContact O-N 2.86Å; G221-V223 PolarHBondContact O-N 3.32Å
222I25.1Very low26.2Very low175 Ų175143.3 Ų143.390%0.89777%0.768SS**  trans-58.2103.9175.6-61.9165.3000107.9C220C220-I222 PolarHBondContact O-N 3Å
223V24Very low26.6Very low136 Ų136139 Ų13982%0.82475%0.748SS**  trans-121.9122.5167.6-174.10000108.6G221G221-V223 PolarHBondContact O-N 3.32Å
224S25Very low26.8Very low92 Ų92135 Ų13564%0.64374%0.737SS**  trans-34.2141.9-179.1174.60000115.6R226S224-R226 PolarHBondContact O-N 3.01Å
225P33.6Very low27.1Very low129 Ų129134 Ų13484%0.83872%0.72SS**THydrogen-bonded Turntrans-7981.5-171.633.4-34.4000111.3
226R24.9Very low27.1Very low224 Ų224133.4 Ų133.485%0.84571%0.708SS**THydrogen-bonded Turntrans-138.22.3163-80.6-158.3-177.1-150.50.8117.4S224S224-R226 PolarHBondContact O-N 3.01Å
227H28.5Very low27.1Very low167 Ų167130.5 Ų130.577%0.77370%0.702SS**  trans-132.2100.1172.5-71.8-64.9000112.2F229H227-F229 VanDerWaalsContact C-N 3.29Å; H227-F229 PolarHBondContact O-N 3.04Å
228L27.2Very low27.1Very low164 Ų164132.7 Ų132.786%0.85971%0.706SS**  trans-6485.5162.5-85150.7000109
229F28.2Very low27.3Very low165 Ų165128.1 Ų128.172%0.72470%0.697SS**  trans-111.4120.4156.2-89.6-85.7000108.2H227 W231H227-F229 VanDerWaalsContact C-N 3.29Å; H227-F229 PolarHBondContact O-N 3.04Å; F229-W231 PolarHBondContact O-N 3.02Å
230S28.2Very low27.2Very low109 Ų109129.5 Ų129.576%0.76270%0.695SS**  trans-56.7113.3175.8-177.70000109.7L232S230-L232 PolarHBondContact O-N 3.31Å
231W30.6Very low27.1Very low228 Ų228133 Ų13386%0.86470%0.7SS**  trans-81.4100.1173.5-68.787.8000108.9F229 I233F229-W231 PolarHBondContact O-N 3.02Å; W231-I233 PolarHBondContact O-N 3.17Å
232L26.9Very low27.4Very low130 Ų130140 Ų14068%0.68173%0.73SS**  trans-73.2105.9170.3-76.7159.5000109.2S230 T234S230-L232 PolarHBondContact O-N 3.31Å; L232-T234 PolarHBondContact O-N 2.84Å
233I32.5Very low27.5Very low90 Ų90138.3 Ų138.346%0.46272%0.722SS.*  trans-81.2108167.8-58.7176.3000107.4W231 F235W231-I233 PolarHBondContact O-N 3.17Å; I233-F235 HydrophobicContact CG2-CD2 4.08Å; I233-F235 HydrophobicContact CG2-CE2 3.68Å; I233-F235 HydrophobicContact CG2-CZ 4.18Å
234T29.4Very low27.7Very low81 Ų81138.4 Ų138.450%0.49772%0.716SS.*EExtended strand (participates in β ladder)trans-90.5117.9171.250.90000108.7L232 D236L232-T234 PolarHBondContact O-N 2.84Å; T234-D236 PolarHBondContact O-N 3.46Å
235F32.9Very low27.9Very low81 Ų81141 Ų14136%0.35572%0.721SS.*EExtended strand (participates in β ladder)trans-86.599.3165-76.1-86.7000107.5I194 L216 I233 A237I194-F235 HydrophobicContact CD1-CD2 4.24Å; I194-F235 HydrophobicContact CD1-CE2 3.77Å; I194-F235 HydrophobicContact CG1-CE2 4.5Å; L216-F235 HydrophobicContact CD2-CE1 4.08Å; L216-F235 HydrophobicContact CD2-CZ 4.29Å; I233-F235 HydrophobicContact CG2-CD2 4.08Å; I233-F235 HydrophobicContact CG2-CE2 3.68Å; I233-F235 HydrophobicContact CG2-CZ 4.18Å; F235-A237 PolarHBondContact O-N 3.19Å
236D25.6Very low27.5Very low90 Ų90141.7 Ų141.748%0.48171%0.714SS.*  trans-71.7102161.3-89.2-41000108.4R191 T234 I238R191-D236 IonicContact CZ-OD1 2.65Å; R191-D236 IonicContact CZ-OD2 3.93Å; R191-D236 IonicContact NE-OD1 3.9Å; R191-D236 PolarHBondContact NE-OD1 2.63Å; R191-D236 IonicContact NH2-OD1 2.64Å; R191-D236 PolarHBondContact NH2-OD1 3.28Å; R191-D236 IonicContact NH2-OD2 3.36Å; R191-D236 PolarHBondContact NH2-OD2 3.27Å; T234-D236 PolarHBondContact O-N 3.46Å; D236-I238 PolarHBondContact O-N 3.29Å
237A29.1Very low27.7Very low64 Ų64136.6 Ų136.653%0.52971%0.705SS.*  trans-67.895.3157.200000106.5F235 C239F235-A237 PolarHBondContact O-N 3.19Å; A237-C239 VanDerWaalsContact C-N 3.28Å; A237-C239 PolarHBondContact O-N 3.27Å
238I23.1Very low27.7Very low137 Ų137134.5 Ų134.570%0.70370%0.701SS**  trans-5994171.5-61170.6000107D236 F240D236-I238 PolarHBondContact O-N 3.29Å; I238-F240 HydrophobicContact CG2-CD2 4.32Å; I238-F240 HydrophobicContact CG2-CE2 4.28Å; I238-F240 PolarHBondContact O-N 3.17Å
239C25.9Very low27.7Very low91 Ų91132.4 Ų132.462%0.61569%0.69SS**  trans-83.9105.6169.4-70.20000106.7A237 Q241A237-C239 VanDerWaalsContact C-N 3.28Å; A237-C239 PolarHBondContact O-N 3.27Å; C239-Q241 PolarHBondContact O-N 2.98Å
240F22.4Very low27.7Very low184 Ų184129.9 Ų129.981%0.80769%0.687SS**  trans-53.8123.5172.4-87.5-93.9000109.8I238 V242I238-F240 HydrophobicContact CG2-CD2 4.32Å; I238-F240 HydrophobicContact CG2-CE2 4.28Å; I238-F240 PolarHBondContact O-N 3.17Å; F240-V242 PolarHBondContact O-N 2.91Å
241Q21.4Very low27.6Very low196 Ų196131.7 Ų131.792%0.91668%0.681SS**  trans-65.8121160.3-91.6164.4-9000108.1C239C239-Q241 PolarHBondContact O-N 2.98Å
242V31.6Very low27.3Very low208 Ų208122.9 Ų122.9100%1.26166%0.664SS**  trans-130.20154.2-172.80000107.1F240F240-V242 PolarHBondContact O-N 2.91Å

Retrieved 242 of 242 residues in 190.3 ms (Link to these results)

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