A0A077Z9H0_TRITR Loading...

Ring box 1 RING box protein 1 regulator of

AlphaFold DB , UniProt , Accession A0A077Z9H0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 131 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
1M50.2Low48.3Very low245 Ų245132.7 Ų132.7100%1.20783%0.833SS**  0100.40-73.3-175.9160.100106.6
2S43.4Very low47.9Very low110 Ų110130.8 Ų130.877%0.76984%0.839SS**  trans-86.6140.4177.8-49.90000109
3S59.5Low47.7Very low121 Ų121132.6 Ų132.685%0.84684%0.837SS**  trans-146.881.4165.5-58.80000107.8
4D49.1Very low48Very low154 Ų154136.4 Ų136.482%0.82484%0.835SS**  trans-65.2129.1162.3-61.6-52.2000108.3
5N54.7Low47.8Very low144 Ų144134.7 Ų134.777%0.7783%0.825SS**  trans-117.493.9167.9-158.821.5000108.7
6S46.8Very low47.8Very low115 Ų115132.6 Ų132.680%0.80483%0.825SS**  trans-100.5109.3165.3-67.30000107.5
7T52Low47.7Very low119 Ų119133.9 Ų133.973%0.7382%0.82SS**  trans-117.7105.8163.745.70000108.7
8A40.7Very low47.4Very low105 Ų105136.8 Ų136.887%0.86882%0.819SS**  trans-51.1142158.500000110.3
9G41.2Very low47.3Very low62 Ų62140.8 Ų140.864%0.63982%0.82SS**  trans-171.363.7-179.900000109.6S11G9-S11 PolarHBondContact O-N 3.04Å; G9-S11 PolarHBondContact O-OG 2.96Å
10D43.7Very low47.2Very low174 Ų174138.2 Ų138.293%0.9381%0.81SS**  trans-50.2103.3170.4-79.4-41.4000109.9
11S50.6Low47.4Very low111 Ų111136.7 Ų136.778%0.77680%0.802SS**  trans-96.4104.1171.4-52.90000106.8G9 L13G9-S11 PolarHBondContact O-N 3.04Å; G9-S11 PolarHBondContact O-OG 2.96Å; S11-L13 PolarHBondContact O-N 3.39Å; S11-L13 VanDerWaalsContact O-N 3.09Å
12A42.8Very low47.2Very low109 Ų109131.9 Ų131.990%0.90178%0.781SS**  trans-50.7111.4-179.400000111.5
13L45.9Very low47.2Very low155 Ų155135.7 Ų135.781%0.81279%0.787SS**  trans-95.5106.1174.8-147.5148.1000107.9S11S11-L13 PolarHBondContact O-N 3.39Å; S11-L13 VanDerWaalsContact O-N 3.09Å
14F51.4Low46.2Very low185 Ų185134.4 Ų134.481%0.81178%0.778SS**  trans-5.1110.8168.6-154.2-102.2000116.3A16F14-A16 PolarHBondContact O-N 3.31Å
15T45.9Very low45.8Very low111 Ų111134.6 Ų134.668%0.68178%0.779SS**  trans-60.6118.8167.727.90000110.2E17T15-E17 VanDerWaalsContact C-N 3.3Å; T15-E17 PolarHBondContact O-N 3.44Å
16A47.5Very low45.2Very low101 Ų101132.3 Ų132.384%0.83578%0.78SS**  trans-63.589.7167.700000109.8F14 K18F14-A16 PolarHBondContact O-N 3.31Å; A16-K18 PolarHBondContact O-N 3.17Å
17E44.9Very low44.7Very low156 Ų156135.4 Ų135.473%0.72979%0.788SS**  trans-74.4111.1168.4-70.8-173.8114.900109.2T15T15-E17 VanDerWaalsContact C-N 3.3Å; T15-E17 PolarHBondContact O-N 3.44Å
18K42.9Very low44.4Very low185 Ų185132.4 Ų132.480%0.80478%0.78SS**  trans55.981.6148.3-59.8170.8-177.6166.40116A16 S20A16-K18 PolarHBondContact O-N 3.17Å; K18-S20 PolarHBondContact O-N 2.69Å
19Y46.6Very low44.3Very low213 Ų213136.2 Ų136.284%0.83578%0.777SS**  trans-78.5103152.9-168.6-99.6000108.4V21Y19-V21 HydrophobicContact CD1-CG2 3.9Å; Y19-V21 HydrophobicContact CE1-CG2 3.91Å
20S43.6Very low45Very low89 Ų89140.1 Ų140.162%0.62278%0.782SS**  trans-75115.4164.546.90000108.1K18 D22K18-S20 PolarHBondContact O-N 2.69Å; S20-D22 PolarHBondContact O-N 2.98Å
21V51.7Low45.2Very low106 Ų106137.3 Ų137.364%0.64277%0.767SS**  trans-72.9112167.61780000106.6Y19 E23Y19-V21 HydrophobicContact CD1-CG2 3.9Å; Y19-V21 HydrophobicContact CE1-CG2 3.91Å; V21-E23 PolarHBondContact O-N 3.22Å; V21-E23 VanDerWaalsContact O-N 3.08Å
22D45.6Very low45.5Very low145 Ų145138 Ų13878%0.77577%0.766SS**  trans-66.9102.3165.3-73.2-42.8000107.8S20 S24S20-D22 PolarHBondContact O-N 2.98Å; D22-S24 PolarHBondContact O-N 3.26Å
23E43.3Very low45.7Very low189 Ų189137.5 Ų137.588%0.88376%0.762SS**  trans-70.192.4171.7-83.2-178.8112.900109.5V21V21-E23 PolarHBondContact O-N 3.22Å; V21-E23 VanDerWaalsContact O-N 3.08Å
24S38.4Very low45.7Very low94 Ų94137.4 Ų137.466%0.65776%0.762SS**  trans-135.191.5155.462.60000108.2D22D22-S24 PolarHBondContact O-N 3.26Å
25D41.1Very low45.6Very low158 Ų158132.3 Ų132.385%0.84575%0.747SS**SBendtrans150.2124.2135.5-70.8-29.4000113
26A42.7Very low46Very low96 Ų96132.2 Ų132.279%0.79376%0.757SS**  trans75.190156.300000119.8G28A26-G28 PolarHBondContact O-N 3.39Å
27D36.9Very low46.4Very low181 Ų181134.8 Ų134.897%0.96876%0.756SS**  49.663127.9-14229.4000117
28G45.1Very low47.3Very low56 Ų56134.3 Ų134.358%0.57775%0.754SS**  trans-144.694166.200000108.9A26 I30A26-G28 PolarHBondContact O-N 3.39Å; G28-I30 PolarHBondContact O-N 2.92Å
29K38.7Very low48.6Very low185 Ų185132 Ų13280%0.80475%0.75SS**  trans-56.794.8179.1-170.9-177.9-179-171.90110.7D31K29-D31 VanDerWaalsContact CE-OD1 3.25Å; K29-D31 WeakPolarHBondContact CE-OD1 3.46Å; K29-D31 WeakPolarHBondContact CG-OD1 3.48Å
30I56Low50.3Low144 Ų144126.4 Ų126.474%0.73874%0.74SS**  trans-95.5106.9168.6-58.3177.2000106.6G28 V32G28-I30 PolarHBondContact O-N 2.92Å; I30-V32 HydrophobicContact CB-CG2 4.43Å; I30-V32 HydrophobicContact CG2-CG2 3.8Å; I30-V32 PolarHBondContact O-N 3.38Å
31D48.1Very low52Low115 Ų115133.2 Ų133.262%0.61575%0.752SS**  trans-73.582.9-179.4-55.4-48.6000110.5K29 A33K29-D31 VanDerWaalsContact CE-OD1 3.25Å; K29-D31 WeakPolarHBondContact CE-OD1 3.46Å; K29-D31 WeakPolarHBondContact CG-OD1 3.48Å; D31-A33 PolarHBondContact O-N 2.91Å; D31-A33 VanDerWaalsContact O-N 3.11Å
32V57Low53.7Low126 Ų126137.3 Ų137.376%0.76476%0.761SS**THydrogen-bonded Turntrans-78.119-177.7-174.20000113.4I30I30-V32 HydrophobicContact CB-CG2 4.43Å; I30-V32 HydrophobicContact CG2-CG2 3.8Å; I30-V32 PolarHBondContact O-N 3.38Å
33A46.8Very low55.8Low98 Ų98137 Ų13781%0.8176%0.755SS**THydrogen-bonded Turntrans-118.313.6-166.700000116.6D31D31-A33 PolarHBondContact O-N 2.91Å; D31-A33 VanDerWaalsContact O-N 3.11Å
34N44.6Very low57.9Low152 Ų152135 Ų13581%0.81375%0.749SS**SBendtrans-145.848.2175.8-156.19000114.8
35T51Low60.3Low79 Ų79136.9 Ų136.949%0.48576%0.757SS.*  trans-126.839.9-175.9-22.30000112.3N37 Q38T35-N37 PolarHBondContact O-N 3.34Å; T35-Q38 HydrophobicContact CG2-CB 3.51Å; T35-Q38 HydrophobicContact CG2-CG 4.15Å; T35-Q38 WeakPolarHBondContact CG2-O 3.38Å
36A53.7Low62.7Low108 Ų108137.3 Ų137.389%0.89375%0.751SS**THydrogen-bonded Turntrans-680.3172.200000113.4
37N56.6Low65.1Low155 Ų155140.1 Ų140.183%0.82975%0.746SS**THydrogen-bonded Turntrans-153.321-177.8-1397.1000115.4T35T35-N37 PolarHBondContact O-N 3.34Å
38Q62.3Low67.8Low146 Ų146136.8 Ų136.868%0.68273%0.732SS**  trans-120.3112.6168.3-52.6-172.7-30.300109.6T35T35-Q38 HydrophobicContact CG2-CB 3.51Å; T35-Q38 HydrophobicContact CG2-CG 4.15Å; T35-Q38 WeakPolarHBondContact CG2-O 3.38Å
39L71.4Confident70.1Confident138 Ų138136.6 Ų136.672%0.72373%0.729SS**  trans-58.8145172.3-7881000109.3R41L39-R41 PolarHBondContact O-N 3.25Å
40P81.2Confident72.7Confident95 Ų95134.2 Ų134.262%0.61773%0.73SS**  trans-54.4138.2175.823.5-33.4000110.4F42P40-F42 PolarHBondContact O-N 2.73Å; P40-F42 VanDerWaalsContact O-N 3.14Å
41R80Confident74.5Confident231 Ų231131.9 Ų131.987%0.87273%0.732SS**SBendtrans-58.6-29.6-173.5-71.3-167.5-174.6-93.61.2113.9L39L39-R41 PolarHBondContact O-N 3.25Å
42F87.7Confident76.5Confident193 Ų193134.7 Ų134.785%0.84675%0.746SS**  trans-129.3127.6174.2-64.4-72.4000108.8P40P40-F42 PolarHBondContact O-N 2.73Å; P40-F42 VanDerWaalsContact O-N 3.14Å
43Q88.4Confident78Confident138 Ų138138.4 Ų138.465%0.64575%0.747SS**  trans-121.4119.2173-176.7176.15.500107.3T45Q43-T45 PolarHBondContact O-N 3.41Å; Q43-T45 VanDerWaalsContact O-N 3.11Å
44I88.3Confident79.2Confident147 Ų147138.7 Ų138.775%0.75474%0.743SS**  trans-69.5109.5171.7-61.4170.3000106.5F47I44-F47 HydrophobicContact CG2-CB 4.35Å
45T88.8Confident80.5Confident133 Ų133138 Ų13882%0.81673%0.73SS**  trans-83.6-36.1-178.851.70000111.8Q43Q43-T45 PolarHBondContact O-N 3.41Å; Q43-T45 VanDerWaalsContact O-N 3.11Å
46K92Very high81.6Confident168 Ų168142.3 Ų142.373%0.7375%0.75SS**  trans-153.2133.6178.7-173.6172.3179.8171.80109.6V48K46-V48 HydrophobicContact CG-CG2 4.44Å
47F92.3Very high82.6Confident155 Ų155138.5 Ų138.568%0.6871%0.714SS**  trans-116.7134169.6-179.5-103.2000108.4I44 G49I44-F47 HydrophobicContact CG2-CB 4.35Å; F47-G49 VanDerWaalsContact CE1-CA 3.44Å
48V93.2Very high83.3Confident111 Ų111138.1 Ų138.167%0.67371%0.705SS**  trans-119.7102.7169.9-178.50000106.3K46K46-V48 HydrophobicContact CG-CG2 4.44Å
49G94Very high83.9Confident51 Ų51132.7 Ų132.753%0.52668%0.681SS.*  trans-80.3137.717500000110.6F47F47-G49 VanDerWaalsContact CE1-CA 3.44Å
50V94.2Very high84.4Confident136 Ų136131 Ų13182%0.82467%0.673SS**  trans-112.3126.8167-179.70000106.8
51A92.7Very high84.8Confident95 Ų95132.2 Ų132.279%0.78567%0.665SS**  trans-116.7142.6176.200000109.7
52L91.1Very high85.4Confident173 Ų173121.2 Ų121.291%0.90662%0.624SS**  trans-105.8145.1165.1-61.6171.5000107
53W86.9Confident85.6Confident205 Ų205113.1 Ų113.178%0.77759%0.592SS**  trans-119.2148.9173.169-85.1000109.1Y55W53-Y55 HydrophobicContact CH2-CE2 4.4Å; W53-Y55 HydrophobicContact CZ3-CD2 4.33Å; W53-Y55 HydrophobicContact CZ3-CE1 4.26Å; W53-Y55 AromaticContact CZ3-CE2 3.97Å; W53-Y55 HydrophobicContact CZ3-CE2 3.97Å; W53-Y55 AromaticContact CZ3-CZ 3.93Å
54S72.2Confident85.8Confident104 Ų104109 Ų10973%0.72757%0.574SS**  trans-142.1161.3165.861.50000107.5
55Y72.1Confident86Confident137 Ų137102.9 Ų102.954%0.53754%0.544SS..  trans-66138.8165.9-63.4-71.5000109.2W53 I57W53-Y55 HydrophobicContact CH2-CE2 4.4Å; W53-Y55 HydrophobicContact CZ3-CD2 4.33Å; W53-Y55 HydrophobicContact CZ3-CE1 4.26Å; W53-Y55 AromaticContact CZ3-CE2 3.97Å; W53-Y55 HydrophobicContact CZ3-CE2 3.97Å; W53-Y55 AromaticContact CZ3-CZ 3.93Å; Y55-I57 VanDerWaalsContact C-N 3.26Å; Y55-I57 VanDerWaalsContact CB-CD1 3.45Å; Y55-I57 HydrophobicContact CD2-CD1 4.44Å; Y55-I57 HydrophobicContact CG-CD1 4.19Å; Y55-I57 PolarHBondContact O-N 2.78Å
56D74.8Confident86.2Confident169 Ų169103.7 Ų103.790%0.90454%0.538SS*.  trans-77.881.3172-177.117.8000108.9
57I73.9Confident86.1Confident29 Ų2996.6 Ų96.615%0.14951%0.51CS..  trans-115.6128.1-177.5-55.4174.9000107.8Y55 N59 I69 T99Y55-I57 VanDerWaalsContact C-N 3.26Å; Y55-I57 VanDerWaalsContact CB-CD1 3.45Å; Y55-I57 HydrophobicContact CD2-CD1 4.44Å; Y55-I57 HydrophobicContact CG-CD1 4.19Å; Y55-I57 PolarHBondContact O-N 2.78Å; I57-N59 WeakPolarHBondContact CG2-O 3.12Å; I57-N59 PolarHBondContact O-N 2.81Å; I57-I69 HydrophobicContact CD1-CG1 4.48Å; I57-I69 HydrophobicContact CD1-CG2 3.81Å; I57-T99 HydrophobicContact CG2-CG2 3.98Å; I57-T99 WeakPolarHBondContact CG2-OG1 3.22Å
58K72.2Confident86Confident146 Ų14692.7 Ų92.764%0.63550%0.499SS*.SBendtrans-62.5-26.7177.2-68.3-170.2176.2-178.10113.3T97K58-T97 WeakPolarHBondContact CD-OG1 3.34Å; K58-T97 WeakPolarHBondContact CE-OG1 3.42Å; K58-T97 PolarHBondContact NZ-OG1 3.06Å
59N74.7Confident85.8Confident33 Ų3387.6 Ų87.618%0.17647%0.467CS..  trans-138.2113.9-174.7-63.587.7000110.9I57 W61I57-N59 WeakPolarHBondContact CG2-O 3.12Å; I57-N59 PolarHBondContact O-N 2.81Å; N59-W61 PolarHBondContact O-N 3.4Å
60D82Confident85.4Confident103 Ų10390.3 Ų90.355%0.55147%0.47SS*.SBendtrans-73.6-5.4175.7-69.3-31.5000114T68 I69D60-T68 CarbonylContact O-C 3.52Å; D60-T68 VanDerWaalsContact O-CA 3.26Å; D60-T68 WeakPolarHBondContact O-CA 3.22Å; D60-I69 PolarHBondContact O-N 3.04Å
61W89Confident84.9Confident120 Ų12089.2 Ų89.246%0.45546%0.456SS..BIsolated β-bridgetrans-122.7136.7-175.957-85.1000110.6N59 A63N59-W61 PolarHBondContact O-N 3.4Å; W61-A63 HydrophobicContact CE3-CB 3.98Å; W61-A63 HydrophobicContact CH2-CB 3.99Å; W61-A63 HydrophobicContact CZ3-CB 3.31Å; W61-A63 PolarHBondContact O-N 2.82Å
62C92.7Very high84.6Confident0 Ų087.5 Ų87.50%043%0.433CS..  trans-78.9118.4172.5178.50000109.5I64 C65 H66 C67 H101C62-I64 PolarHBondContact O-N 3.16Å; C62-C65 VanDerWaalsContact CB-SG 3.54Å; C62-C65 PolarHBondContact O-N 3.37Å; C62-H66 VanDerWaalsContact O-CA 3.31Å; C62-H66 WeakPolarHBondContact O-CA 3.37Å; C62-H66 PolarHBondContact O-N 2.85Å; C62-C67 PolarHBondContact N-O 3.05Å; C62-H101 WeakPolarHBondContact CB-ND1 3.16Å
63A92.2Very high84.6Confident22 Ų2279.3 Ų79.318%0.18239%0.39CS..THydrogen-bonded Turntrans-66.2-8.3-177.700000115.5W61 F100 L117W61-A63 HydrophobicContact CE3-CB 3.98Å; W61-A63 HydrophobicContact CH2-CB 3.99Å; W61-A63 HydrophobicContact CZ3-CB 3.31Å; W61-A63 PolarHBondContact O-N 2.82Å; A63-F100 HydrophobicContact CB-CE1 3.9Å; A63-L117 HydrophobicContact CB-CD2 4.14Å; A63-L117 HydrophobicContact CB-CG 4.46Å
64I92.5Very high84.7Confident51 Ų5174 Ų7426%0.26238%0.377SS..THydrogen-bonded Turntrans-94.5-44.8-177.3-60.6168.3000111.1C62 F100 C104 I105 W108 P116C62-I64 PolarHBondContact O-N 3.16Å; I64-F100 HydrophobicContact CD1-CD1 4.06Å; I64-F100 HydrophobicContact CD1-CG 4.28Å; I64-F100 HydrophobicContact CG1-CD1 4.24Å; I64-C104 HydrophobicContact CB-CB 3.91Å; I64-C104 HydrophobicContact CD1-CB 3.94Å; I64-C104 HydrophobicContact CG2-CB 3.91Å; I64-I105 HydrophobicContact CD1-CD1 4.3Å; I64-W108 HydrophobicContact CD1-CB 3.99Å; I64-W108 HydrophobicContact CD1-CG 4.44Å; I64-P116 HydrophobicContact CD1-CG 4.15Å; I64-P116 HydrophobicContact CG1-CG 4.14Å
65C93.2Very high85.4Confident19 Ų1971 Ų7113%0.12836%0.358CS..THydrogen-bonded Turntrans-104.8-10.5-178.465.90000113.8C62 C67 L74 H101C62-C65 VanDerWaalsContact CB-SG 3.54Å; C62-C65 PolarHBondContact O-N 3.37Å; C65-C67 PolarHBondContact O-N 2.83Å; C65-C67 VanDerWaalsContact O-N 3.16Å; C65-C67 PolarHBondContact SG-N 3.43Å; C65-L74 HydrophobicContact CB-CB 4.17Å; C65-H101 PolarHBondContact SG-ND1 3.32Å
66H92.4Very high86.1Confident150 Ų15065 Ų6569%0.69434%0.336SS*.  trans59.516.2-174.6-55.3-83.7000114.7C62C62-H66 VanDerWaalsContact O-CA 3.31Å; C62-H66 WeakPolarHBondContact O-CA 3.37Å; C62-H66 PolarHBondContact O-N 2.85Å
67C90Very high86.6Confident20 Ų2061.3 Ų61.314%0.13531%0.313CS..SBendtrans-87.7158.3168.9-56.20000110.5C62 C65C62-C67 PolarHBondContact N-O 3.05Å; C65-C67 PolarHBondContact O-N 2.83Å; C65-C67 VanDerWaalsContact O-N 3.16Å; C65-C67 PolarHBondContact SG-N 3.43Å
68T91Very high87Confident73 Ų7364.5 Ų64.545%0.44833%0.334SS..BIsolated β-bridgetrans-65.9144.8172.245.30000110.5D60 N70 E71 H101D60-T68 CarbonylContact O-C 3.52Å; D60-T68 VanDerWaalsContact O-CA 3.26Å; D60-T68 WeakPolarHBondContact O-CA 3.22Å; T68-N70 PolarHBondContact O-N 3.41Å; T68-E71 PolarHBondContact O-N 3.03Å; T68-E71 VanDerWaalsContact O-N 3.1Å; T68-E71 WeakPolarHBondContact OG1-CB 3.49Å; T68-E71 WeakPolarHBondContact OG1-CG 3.24Å; T68-H101 PolarHBondContact O-CE1 3.23Å; T68-H101 VanDerWaalsContact O-CE1 3.27Å; T68-H101 PolarHBondContact O-NE2 3.3Å
69I88.9Confident87.2Confident3 Ų362.1 Ų62.12%0.01533%0.325CS..THydrogen-bonded Turntrans-66.9-24.2-174.5-165.855.3000113.1I57 D60 P91 T99 F100 H101I57-I69 HydrophobicContact CD1-CG1 4.48Å; I57-I69 HydrophobicContact CD1-CG2 3.81Å; D60-I69 PolarHBondContact O-N 3.04Å; I69-P91 HydrophobicContact CD1-CB 3.72Å; I69-P91 HydrophobicContact CG1-CB 3.62Å; I69-T99 HydrophobicContact CD1-CG2 3.84Å; I69-T99 HydrophobicContact CG1-CG2 3.69Å; I69-F100 VanDerWaalsContact CD1-C 3.43Å; I69-H101 PolarHBondContact O-NE2 3.28Å
70N84.9Confident86.6Confident108 Ų10867.3 Ų67.358%0.57835%0.353SS*.THydrogen-bonded Turntrans-80.8-15.3176.9-61.7-30.4000113.3T68T68-N70 PolarHBondContact O-N 3.41Å
71E83.9Confident85.4Confident113 Ų11365.9 Ų65.953%0.52836%0.355SS..SBendtrans-96.1167.1177.6-68.6-65.3155.700110.8T68 H101T68-E71 PolarHBondContact O-N 3.03Å; T68-E71 VanDerWaalsContact O-N 3.1Å; T68-E71 WeakPolarHBondContact OG1-CB 3.49Å; T68-E71 WeakPolarHBondContact OG1-CG 3.24Å; E71-H101 PolarHBondContact O-NE2 2.99Å
72L87Confident83.9Confident59 Ų5970 Ų7031%0.30938%0.377SS..PPolyproline II helixtrans-61.7144.4169.7-67.9145.8000110.2C76 Q77 L87 C89L72-C76 HydrophobicContact CB-CB 3.98Å; L72-C76 HydrophobicContact CD2-CB 3.84Å; L72-Q77 HydrophobicContact CB-CG 3.94Å; L72-Q77 PolarHBondContact O-NE2 3.14Å; L72-L87 WeakPolarHBondContact CD2-O 3.34Å; L72-C89 HydrophobicContact CD2-CB 4.48Å
73C91Very high82.5Confident1 Ų174 Ų741%0.00740%0.398CS..PPolyproline II helixtrans-66.7159.6172.972.70000111.6A75 C76 Q77 H101 C104C73-A75 PolarHBondContact O-N 3Å; C73-C76 PolarHBondContact O-N 3.14Å; C73-Q77 WeakPolarHBondContact O-CG 3.41Å; C73-Q77 PolarHBondContact O-N 2.87Å; C73-H101 HydrophobicContact CB-CB 3.96Å; C73-C104 VanDerWaalsContact CB-SG 3.53Å
74L88.5Confident81Confident95 Ų9577.8 Ų77.850%0.49742%0.423SS..Hα-helixtrans-53.8-33.2-177.1-173.362.3000113.7C65 Q77 T78C65-L74 HydrophobicContact CB-CB 4.17Å; L74-Q77 PolarHBondContact O-N 2.89Å; L74-T78 WeakPolarHBondContact O-CG2 3.38Å; L74-T78 PolarHBondContact O-N 2.82Å; L74-T78 PolarHBondContact O-OG1 3.13Å
75A86.5Confident79.4Confident39 Ų3979.2 Ų79.232%0.32244%0.437SS..Hα-helixtrans-68-44.2176.300000112.2C73 Q77 T78 E79C73-A75 PolarHBondContact O-N 3Å; A75-Q77 VanDerWaalsContact C-N 3.31Å; A75-Q77 PolarHBondContact O-N 2.91Å; A75-T78 PolarHBondContact O-N 3.16Å; A75-T78 PolarHBondContact O-OG1 3.17Å; A75-E79 PolarHBondContact O-N 3.13Å
76C87Confident77.7Confident11 Ų1182.2 Ų82.27%0.07445%0.45CS..Hα-helixtrans-68.9-29.2175.8-67.20000112.6L72 C73 T78 Q86 H103L72-C76 HydrophobicContact CB-CB 3.98Å; L72-C76 HydrophobicContact CD2-CB 3.84Å; C73-C76 PolarHBondContact O-N 3.14Å; C76-T78 VanDerWaalsContact C-N 3.32Å; C76-Q86 PolarHBondContact SG-O 3.48Å; C76-H103 VanDerWaalsContact SG-CE1 3.59Å; C76-H103 PolarHBondContact SG-ND1 3.05Å
77Q85.4Confident76.4Confident92 Ų9279.2 Ų79.243%0.4344%0.438SS..Hα-helixtrans-68.6-32.1174.5-68.9-177.816.700112.4L72 C73 L74 A75L72-Q77 HydrophobicContact CB-CG 3.94Å; L72-Q77 PolarHBondContact O-NE2 3.14Å; C73-Q77 WeakPolarHBondContact O-CG 3.41Å; C73-Q77 PolarHBondContact O-N 2.87Å; L74-Q77 PolarHBondContact O-N 2.89Å; A75-Q77 VanDerWaalsContact C-N 3.31Å; A75-Q77 PolarHBondContact O-N 2.91Å
78T82.7Confident75.8Confident96 Ų9685.5 Ų85.559%0.58947%0.466SS*.Hα-helixtrans-83.1-23.7179.751.70000113.9L74 A75 C76 D80L74-T78 WeakPolarHBondContact O-CG2 3.38Å; L74-T78 PolarHBondContact O-N 2.82Å; L74-T78 PolarHBondContact O-OG1 3.13Å; A75-T78 PolarHBondContact O-N 3.16Å; A75-T78 PolarHBondContact O-OG1 3.17Å; C76-T78 VanDerWaalsContact C-N 3.32Å; T78-D80 PolarHBondContact O-N 2.84Å
79E75.9Confident75.5Confident97 Ų9782.6 Ų82.645%0.45345%0.448SS..SBendtrans-90.191.6179.2-69.6179.7-176.500108.6A75 A81 Q86A75-E79 PolarHBondContact O-N 3.13Å; E79-A81 VanDerWaalsContact C-N 3.31Å; E79-A81 PolarHBondContact O-N 3.2Å; E79-Q86 VanDerWaalsContact OE2-CD 3.24Å; E79-Q86 PolarHBondContact OE2-NE2 2.93Å; E79-Q86 PolarHBondContact OE2-OE1 3Å
80D61.4Low75.4Confident141 Ų14185 Ų8575%0.75446%0.464SS*.  trans-59.288.9176.4-69.7-40000111.2T78 K82T78-D80 PolarHBondContact O-N 2.84Å; D80-K82 VanDerWaalsContact C-N 3.33Å; D80-K82 PolarHBondContact O-N 3.05Å
81A57.3Low75.6Confident73 Ų7382.6 Ų82.660%0.60345%0.454SS*.SBendtrans44.434.8145.200000118.8E79E79-A81 VanDerWaalsContact C-N 3.31Å; E79-A81 PolarHBondContact O-N 3.2Å
82K58.4Low76Confident208 Ų20877.8 Ų77.890%0.90443%0.433SS*.SBendtrans-90.7-20.8175.5-75.5-175.5-175.5177.90114.5D80D80-K82 VanDerWaalsContact C-N 3.33Å; D80-K82 PolarHBondContact O-N 3.05Å
83D61.7Low76.1Confident84 Ų8476.7 Ų76.745%0.44943%0.429SS..  trans-129.8112.6177.3-160.4-26.2000108.7S85 Q86D83-S85 PolarHBondContact O-N 3.04Å; D83-S85 WeakPolarHBondContact OD1-CB 3.16Å; D83-S85 PolarHBondContact OD1-N 3.46Å; D83-S85 PolarHBondContact OD1-OG 3.45Å; D83-S85 PolarHBondContact OD2-OG 3.27Å; D83-Q86 PolarHBondContact O-N 2.87Å
84S60.6Low76.1Confident101 Ų10176.7 Ų76.771%0.70643%0.428SS*.G310 helixtrans-58.4-19.2-179.746.40000112.9Q86 L87S84-Q86 VanDerWaalsContact C-N 3.29Å; S84-Q86 PolarHBondContact O-N 3.47Å; S84-L87 PolarHBondContact O-N 3.08Å
85S59Low76.3Confident80 Ų8075.2 Ų75.256%0.55942%0.423SS*.G310 helixtrans-70.5-20.6176.863.40000114.1D83D83-S85 PolarHBondContact O-N 3.04Å; D83-S85 WeakPolarHBondContact OD1-CB 3.16Å; D83-S85 PolarHBondContact OD1-N 3.46Å; D83-S85 PolarHBondContact OD1-OG 3.45Å; D83-S85 PolarHBondContact OD2-OG 3.27Å
86Q58.5Low76.5Confident82 Ų8274.8 Ų74.838%0.38342%0.418SS..G310 helixtrans-92.9-9.7178.5-65.2-178.1-52.400113.5C76 E79 D83 S84 E88C76-Q86 PolarHBondContact SG-O 3.48Å; E79-Q86 VanDerWaalsContact OE2-CD 3.24Å; E79-Q86 PolarHBondContact OE2-NE2 2.93Å; E79-Q86 PolarHBondContact OE2-OE1 3Å; D83-Q86 PolarHBondContact O-N 2.87Å; S84-Q86 VanDerWaalsContact C-N 3.29Å; S84-Q86 PolarHBondContact O-N 3.47Å; Q86-E88 VanDerWaalsContact C-N 3.3Å
87L65.4Low76.6Confident88 Ų8877 Ų7746%0.46143%0.431SS..SBendtrans-78-14.6179.7-72.6171.3000113L72 S84 C89L72-L87 WeakPolarHBondContact CD2-O 3.34Å; S84-L87 PolarHBondContact O-N 3.08Å; L87-C89 PolarHBondContact O-N 3.28Å
88E76.5Confident76.9Confident151 Ų15174.3 Ų74.371%0.70642%0.418SS*.  trans-96.194.3174.7-161.1168.8-172.700108.6Q86 P90Q86-E88 VanDerWaalsContact C-N 3.3Å; E88-P90 WeakPolarHBondContact O-CD 3.21Å
89C84.9Confident77.3Confident13 Ų1370 Ų709%0.08839%0.391CS..  trans-107.969.8173.9-175.20000109L72 L87 H101L72-C89 HydrophobicContact CD2-CB 4.48Å; L87-C89 PolarHBondContact O-N 3.28Å; C89-H101 VanDerWaalsContact SG-CB 3.59Å
90P87.6Confident78.2Confident54 Ų5465.4 Ų65.435%0.35137%0.37SS..  trans-67.3151.1-169.729.6-35.2000111E88 T92 D102E88-P90 WeakPolarHBondContact O-CD 3.21Å; P90-T92 PolarHBondContact O-N 2.95Å; P90-D102 HydrophobicContact CG-CB 4.12Å; P90-D102 WeakPolarHBondContact O-CB 3.47Å; P90-D102 PolarHBondContact O-N 2.76Å
91P89.2Confident79.6Confident56 Ų5658.7 Ų58.736%0.36433%0.334SS..EExtended strand (participates in β ladder)trans-68.7130.5171.330.9-35.8000110.6I69 T99I69-P91 HydrophobicContact CD1-CB 3.72Å; I69-P91 HydrophobicContact CG1-CB 3.62Å; P91-T99 HydrophobicContact CB-CG2 4.03Å
92T90.8Very high81.2Confident13 Ų1357.2 Ų57.28%0.0832%0.316CS..EExtended strand (participates in β ladder)trans-113.8126.2176-58.70000109.7P90 T99 F100 D102 W122P90-T92 PolarHBondContact O-N 2.95Å; T92-T99 WeakPolarHBondContact O-CA 3.48Å; T92-F100 PolarHBondContact N-O 3Å; T92-F100 PolarHBondContact O-N 2.79Å; T92-D102 WeakPolarHBondContact OG1-CB 3.35Å; T92-D102 PolarHBondContact OG1-OD1 3.47Å; T92-W122 HydrophobicContact CG2-CZ2 4.04Å
93V90.6Very high82.8Confident36 Ų3650.3 Ų50.322%0.21829%0.287CS..EExtended strand (participates in β ladder)trans-99.4132.4177.9-169.10000109.5T99 Q125V93-T99 HydrophobicContact CG2-CG2 3.93Å; V93-Q125 WeakPolarHBondContact O-CB 3.31Å; V93-Q125 PolarHBondContact O-N 3.07Å
94G91.2Very high84.3Confident0 Ų046.8 Ų46.80%027%0.269CS..BIsolated β-bridgetrans-83.5162.4171.500000111.9C96 T97 H98 W122 R123G94-C96 PolarHBondContact O-N 3.41Å; G94-C96 VanDerWaalsContact O-N 3.16Å; G94-T97 WeakPolarHBondContact O-CA 3.45Å; G94-T97 PolarHBondContact O-N 3.17Å; G94-H98 PolarHBondContact N-O 2.73Å; G94-W122 VanDerWaalsContact CA-CH2 3.43Å; G94-W122 VanDerWaalsContact N-CH2 3.28Å; G94-R123 CarbonylContact C-O 3.52Å; G94-R123 WeakPolarHBondContact CA-O 3.38Å
95V91.5Very high85.9Confident65 Ų6542 Ų4239%0.39424%0.235SC..THydrogen-bonded Turntrans-59-27171.4-1760000111.4T97 R123 E128V95-T97 PolarHBondContact O-N 2.9Å; V95-T97 VanDerWaalsContact O-N 3.13Å; V95-R123 HydrophobicContact CB-CB 4.43Å; V95-R123 HydrophobicContact CG2-CB 3.63Å; V95-R123 WeakPolarHBondContact CG2-O 3.26Å; V95-R123 PolarHBondContact N-O 3.08Å; V95-E128 WeakPolarHBondContact CG1-OE2 3.39Å; V95-E128 HydrophobicContact CG2-CG 4.08Å; V95-E128 WeakPolarHBondContact CG2-OE2 3.25Å
96C91.1Very high87.5Confident30 Ų3041.3 Ų41.320%0.20323%0.225CC..THydrogen-bonded Turntrans-67.72169.154.20000114.8G94 H98 D118G94-C96 PolarHBondContact O-N 3.41Å; G94-C96 VanDerWaalsContact O-N 3.16Å; C96-H98 PolarHBondContact O-N 3.18Å; C96-D118 WeakPolarHBondContact CB-OD2 3.12Å
97T89.3Confident89.1Confident58 Ų5846.1 Ų46.136%0.35624%0.24SC..SBendtrans63.59.1-176.266.30000115.6K58 G94 V95K58-T97 WeakPolarHBondContact CD-OG1 3.34Å; K58-T97 WeakPolarHBondContact CE-OG1 3.42Å; K58-T97 PolarHBondContact NZ-OG1 3.06Å; G94-T97 WeakPolarHBondContact O-CA 3.45Å; G94-T97 PolarHBondContact O-N 3.17Å; V95-T97 PolarHBondContact O-N 2.9Å; V95-T97 VanDerWaalsContact O-N 3.13Å
98H91.1Very high90.5Very high35 Ų3546.2 Ų46.216%0.16223%0.234CC..  trans-84138.1172.4-64.7126.5000110.8G94 C96 F100 C115 L117 D118G94-H98 PolarHBondContact N-O 2.73Å; C96-H98 PolarHBondContact O-N 3.18Å; H98-F100 HydrophobicContact CB-CE2 3.75Å; H98-F100 HydrophobicContact CB-CZ 3.92Å; H98-C115 PolarHBondContact ND1-SG 3.24Å; H98-C115 VanDerWaalsContact ND1-SG 3.41Å; H98-L117 HydrophobicContact CB-CD1 4.01Å; H98-L117 WeakPolarHBondContact CD2-CD1 3.38Å; H98-D118 IonicContact CE1-OD2 3.74Å; H98-D118 IonicContact ND1-OD2 3.63Å
99T92.1Very high91.4Very high4 Ų439.8 Ų39.83%0.02521%0.205CC..EExtended strand (participates in β ladder)trans-114.7132.9-174.9-51.80000110.3I57 I69 P91 T92 V93I57-T99 HydrophobicContact CG2-CG2 3.98Å; I57-T99 WeakPolarHBondContact CG2-OG1 3.22Å; I69-T99 HydrophobicContact CD1-CG2 3.84Å; I69-T99 HydrophobicContact CG1-CG2 3.69Å; P91-T99 HydrophobicContact CB-CG2 4.03Å; T92-T99 WeakPolarHBondContact O-CA 3.48Å; V93-T99 HydrophobicContact CG2-CG2 3.93Å
100F93.1Very high91.8Very high1 Ų149.5 Ų49.50%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-138.2161.2178.1-55.3-73.6000109.1A63 I64 I69 T92 H98 I105 P116 L117 W122A63-F100 HydrophobicContact CB-CE1 3.9Å; I64-F100 HydrophobicContact CD1-CD1 4.06Å; I64-F100 HydrophobicContact CD1-CG 4.28Å; I64-F100 HydrophobicContact CG1-CD1 4.24Å; I69-F100 VanDerWaalsContact CD1-C 3.43Å; T92-F100 PolarHBondContact N-O 3Å; T92-F100 PolarHBondContact O-N 2.79Å; H98-F100 HydrophobicContact CB-CE2 3.75Å; H98-F100 HydrophobicContact CB-CZ 3.92Å; F100-I105 HydrophobicContact CB-CB 3.95Å; F100-I105 HydrophobicContact CD2-CB 4.41Å; F100-I105 HydrophobicContact CD2-CD1 3.9Å; F100-I105 HydrophobicContact CD2-CG1 4.23Å; F100-I105 HydrophobicContact CE2-CD1 4.28Å; F100-I105 HydrophobicContact CG-CB 4.46Å; F100-I105 HydrophobicContact CG-CD1 4.46Å; F100-P116 HydrophobicContact CE1-CG 4.34Å; F100-P116 HydrophobicContact CZ-CG 4.11Å; F100-L117 HydrophobicContact CE1-CD1 4.14Å; F100-L117 HydrophobicContact CE1-CG 4.43Å; F100-L117 HydrophobicContact CZ-CD1 3.86Å; F100-L117 HydrophobicContact CZ-CG 4.08Å; F100-W122 AromaticContact CD2-CH2 3.6Å; F100-W122 HydrophobicContact CD2-CH2 3.6Å; F100-W122 AromaticContact CD2-CZ3 3.58Å; F100-W122 HydrophobicContact CD2-CZ3 3.58Å; F100-W122 HydrophobicContact CE2-CE3 4.32Å; F100-W122 HydrophobicContact CE2-CH2 4.02Å; F100-W122 AromaticContact CE2-CZ3 3.5Å; F100-W122 HydrophobicContact CE2-CZ3 3.5Å; F100-W122 VanDerWaalsContact CE2-CZ3 3.5Å
101H91.9Very high92.1Very high0 Ų051.9 Ų51.90%025%0.253CS..EExtended strand (participates in β ladder)trans-62.7139165.1-65.9119.1000110.6C62 C65 T68 I69 E71 C73 C89 H103 C104 I105C62-H101 WeakPolarHBondContact CB-ND1 3.16Å; C65-H101 PolarHBondContact SG-ND1 3.32Å; T68-H101 PolarHBondContact O-CE1 3.23Å; T68-H101 VanDerWaalsContact O-CE1 3.27Å; T68-H101 PolarHBondContact O-NE2 3.3Å; I69-H101 PolarHBondContact O-NE2 3.28Å; E71-H101 PolarHBondContact O-NE2 2.99Å; C73-H101 HydrophobicContact CB-CB 3.96Å; C89-H101 VanDerWaalsContact SG-CB 3.59Å; H101-H103 VanDerWaalsContact C-N 3.29Å; H101-H103 PolarHBondContact O-N 3.31Å; H101-C104 HydrophobicContact CB-CB 3.92Å; H101-C104 WeakPolarHBondContact O-CB 3.46Å; H101-C104 PolarHBondContact O-N 2.75Å; H101-I105 WeakPolarHBondContact O-CG2 3.47Å; H101-I105 PolarHBondContact O-N 2.76Å
102D91.5Very high92.2Very high43 Ų4354.2 Ų54.223%0.2326%0.259CS..Hα-helixtrans-52-47.2178.4-178.867.2000111.7P90 T92 C104 I105 N106P90-D102 HydrophobicContact CG-CB 4.12Å; P90-D102 WeakPolarHBondContact O-CB 3.47Å; P90-D102 PolarHBondContact O-N 2.76Å; T92-D102 WeakPolarHBondContact OG1-CB 3.35Å; T92-D102 PolarHBondContact OG1-OD1 3.47Å; D102-C104 VanDerWaalsContact C-N 3.35Å; D102-C104 PolarHBondContact O-N 3.25Å; D102-I105 WeakPolarHBondContact O-CG2 3.09Å; D102-I105 PolarHBondContact O-N 3.48Å; D102-N106 WeakPolarHBondContact O-CB 3.1Å; D102-N106 PolarHBondContact O-N 2.93Å; D102-N106 PolarHBondContact O-ND2 3.44Å; D102-N106 VanDerWaalsContact O-ND2 3.16Å; D102-N106 PolarHBondContact OD1-ND2 2.95Å; D102-N106 PolarHBondContact OD2-ND2 2.82Å
103H91.6Very high92.3Very high62 Ų6261.2 Ų61.229%0.28728%0.284SS..Hα-helixtrans-62.5-38.3176.8-66.5158.4000113.7C76 H101 R107C76-H103 VanDerWaalsContact SG-CE1 3.59Å; C76-H103 PolarHBondContact SG-ND1 3.05Å; H101-H103 VanDerWaalsContact C-N 3.29Å; H101-H103 PolarHBondContact O-N 3.31Å; H103-R107 VanDerWaalsContact O-CB 3.24Å; H103-R107 WeakPolarHBondContact O-CB 3.38Å; H103-R107 PolarHBondContact O-N 3.19Å
104C93.5Very high92.5Very high11 Ų1161 Ų617%0.07428%0.283CS..Hα-helixtrans-68.4-48179.8-71.70000111.2I64 C73 H101 D102 R107 W108I64-C104 HydrophobicContact CB-CB 3.91Å; I64-C104 HydrophobicContact CD1-CB 3.94Å; I64-C104 HydrophobicContact CG2-CB 3.91Å; C73-C104 VanDerWaalsContact CB-SG 3.53Å; H101-C104 HydrophobicContact CB-CB 3.92Å; H101-C104 WeakPolarHBondContact O-CB 3.46Å; H101-C104 PolarHBondContact O-N 2.75Å; D102-C104 VanDerWaalsContact C-N 3.35Å; D102-C104 PolarHBondContact O-N 3.25Å; C104-R107 PolarHBondContact O-N 3.27Å; C104-W108 PolarHBondContact O-N 3.47Å
105I93.7Very high92.6Very high0 Ų061 Ų610%028%0.283CS..Hα-helixtrans-69.5-41.5179.8-167.158.4000111I64 F100 H101 D102 R107 W108 L109 W122I64-I105 HydrophobicContact CD1-CD1 4.3Å; F100-I105 HydrophobicContact CB-CB 3.95Å; F100-I105 HydrophobicContact CD2-CB 4.41Å; F100-I105 HydrophobicContact CD2-CD1 3.9Å; F100-I105 HydrophobicContact CD2-CG1 4.23Å; F100-I105 HydrophobicContact CE2-CD1 4.28Å; F100-I105 HydrophobicContact CG-CB 4.46Å; F100-I105 HydrophobicContact CG-CD1 4.46Å; H101-I105 WeakPolarHBondContact O-CG2 3.47Å; H101-I105 PolarHBondContact O-N 2.76Å; D102-I105 WeakPolarHBondContact O-CG2 3.09Å; D102-I105 PolarHBondContact O-N 3.48Å; I105-R107 VanDerWaalsContact C-N 3.26Å; I105-R107 PolarHBondContact O-N 3.29Å; I105-W108 HydrophobicContact CD1-CB 4.46Å; I105-W108 WeakPolarHBondContact O-CB 3.48Å; I105-W108 PolarHBondContact O-N 3.48Å; I105-L109 HydrophobicContact CD1-CG 4.32Å; I105-L109 HydrophobicContact CG1-CD1 4.06Å; I105-L109 HydrophobicContact CG1-CG 4.15Å; I105-L109 WeakPolarHBondContact O-CB 3.46Å; I105-L109 WeakPolarHBondContact O-CG 3.46Å; I105-L109 PolarHBondContact O-N 2.84Å; I105-W122 HydrophobicContact CB-CZ2 4.46Å; I105-W122 HydrophobicContact CD1-CD2 3.94Å; I105-W122 HydrophobicContact CD1-CE3 3.95Å; I105-W122 HydrophobicContact CD1-CH2 4.38Å; I105-W122 HydrophobicContact CD1-CZ2 4.38Å; I105-W122 HydrophobicContact CD1-CZ3 4.2Å; I105-W122 HydrophobicContact CG1-CD2 3.83Å; I105-W122 HydrophobicContact CG1-CE3 4.19Å; I105-W122 HydrophobicContact CG1-CG 4.46Å; I105-W122 HydrophobicContact CG1-CH2 3.98Å; I105-W122 HydrophobicContact CG1-CZ2 3.6Å; I105-W122 HydrophobicContact CG1-CZ3 4.28Å; I105-W122 HydrophobicContact CG2-CZ2 4.29Å
106N92.7Very high92.6Very high65 Ų6560.1 Ų60.135%0.34828%0.278SS..Hα-helixtrans-62.4-33.7176.7-73.5-28.4000112.5D102 R110D102-N106 WeakPolarHBondContact O-CB 3.1Å; D102-N106 PolarHBondContact O-N 2.93Å; D102-N106 PolarHBondContact O-ND2 3.44Å; D102-N106 VanDerWaalsContact O-ND2 3.16Å; D102-N106 PolarHBondContact OD1-ND2 2.95Å; D102-N106 PolarHBondContact OD2-ND2 2.82Å; N106-R110 WeakPolarHBondContact O-CG 3.37Å
107R92.6Very high92.7Very high184 Ų18462.2 Ų62.269%0.69429%0.287SS*.Hα-helixtrans-67.8-43.2171.5-176.8174.1-178.8159.5-0.1112.1H103 C104 I105 R110H103-R107 VanDerWaalsContact O-CB 3.24Å; H103-R107 WeakPolarHBondContact O-CB 3.38Å; H103-R107 PolarHBondContact O-N 3.19Å; C104-R107 PolarHBondContact O-N 3.27Å; I105-R107 VanDerWaalsContact C-N 3.26Å; I105-R107 PolarHBondContact O-N 3.29Å; R107-R110 WeakPolarHBondContact O-CB 3.33Å; R107-R110 PolarHBondContact O-N 3.1Å
108W94.1Very high92.8Very high90 Ų9062 Ų6234%0.34128%0.284SS..Hα-helixtrans-63.9-42.8177.3179.8-91.5000112.4I64 C104 I105 R110 T111 Q112 V114 P116I64-W108 HydrophobicContact CD1-CB 3.99Å; I64-W108 HydrophobicContact CD1-CG 4.44Å; C104-W108 PolarHBondContact O-N 3.47Å; I105-W108 HydrophobicContact CD1-CB 4.46Å; I105-W108 WeakPolarHBondContact O-CB 3.48Å; I105-W108 PolarHBondContact O-N 3.48Å; W108-R110 PolarHBondContact O-N 3.26Å; W108-T111 PolarHBondContact O-N 2.9Å; W108-T111 PolarHBondContact O-OG1 3.16Å; W108-Q112 HydrophobicContact CZ2-CB 4.44Å; W108-Q112 PolarHBondContact O-N 3.02Å; W108-V114 PolarHBondContact NE1-O 3.46Å; W108-P116 HydrophobicContact CD2-CG 3.95Å; W108-P116 HydrophobicContact CG-CG 4.16Å; W108-P116 HydrophobicContact CZ2-CB 4.16Å; W108-P116 HydrophobicContact CZ2-CG 4.13Å
109L94.2Very high92.9Very high15 Ų1566.1 Ų66.18%0.07931%0.307CS..THydrogen-bonded Turntrans-62.9-14.5179.6-67.3173.5000114.4I105 T111 Q112 R113 W122I105-L109 HydrophobicContact CD1-CG 4.32Å; I105-L109 HydrophobicContact CG1-CD1 4.06Å; I105-L109 HydrophobicContact CG1-CG 4.15Å; I105-L109 WeakPolarHBondContact O-CB 3.46Å; I105-L109 WeakPolarHBondContact O-CG 3.46Å; I105-L109 PolarHBondContact O-N 2.84Å; L109-T111 VanDerWaalsContact C-N 3.35Å; L109-Q112 WeakPolarHBondContact CA-O 3.18Å; L109-R113 WeakPolarHBondContact O-CD 2.88Å; L109-R113 PolarHBondContact O-NE 3.25Å; L109-W122 HydrophobicContact CD1-CG 4.07Å; L109-W122 HydrophobicContact CD2-CB 3.47Å; L109-W122 VanDerWaalsContact CD2-CB 3.47Å; L109-W122 HydrophobicContact CD2-CG 3.61Å; L109-W122 HydrophobicContact CG-CG 4.37Å
110R93.8Very high92.9Very high217 Ų21771.9 Ų71.982%0.81933%0.334SS*.THydrogen-bonded Turntrans-71.7-28.8172-67.4175.6-176.1-166.40.8112.5N106 R107 W108N106-R110 WeakPolarHBondContact O-CG 3.37Å; R107-R110 WeakPolarHBondContact O-CB 3.33Å; R107-R110 PolarHBondContact O-N 3.1Å; W108-R110 PolarHBondContact O-N 3.26Å
111T93.6Very high92.8Very high104 Ų10477.3 Ų77.364%0.63836%0.359SS*.THydrogen-bonded Turntrans-102.7-41.1179.4560000112W108 L109W108-T111 PolarHBondContact O-N 2.9Å; W108-T111 PolarHBondContact O-OG1 3.16Å; L109-T111 VanDerWaalsContact C-N 3.35Å
112Q92.9Very high92.9Very high106 Ų10678.1 Ų78.150%0.49536%0.362SS..  trans-137.7123.6-174.3-66.2-60.5-28.900110.1W108 L109 V114W108-Q112 HydrophobicContact CZ2-CB 4.44Å; W108-Q112 PolarHBondContact O-N 3.02Å; L109-Q112 WeakPolarHBondContact CA-O 3.18Å; Q112-V114 HydrophobicContact CB-CG2 4.14Å; Q112-V114 PolarHBondContact O-N 2.86Å; Q112-V114 VanDerWaalsContact O-N 3.14Å
113R92.3Very high92.9Very high160 Ų16083 Ų8360%0.60438%0.377SS*.SBendtrans-82.720.7-179-65-67.7-172.1176.40.4113.2L109 Q121 W122L109-R113 WeakPolarHBondContact O-CD 2.88Å; L109-R113 PolarHBondContact O-NE 3.25Å; R113-Q121 VanDerWaalsContact O-CD 3.27Å; R113-Q121 PolarHBondContact O-NE2 3.09Å; R113-Q121 PolarHBondContact O-OE1 3.29Å; R113-W122 PolarHBondContact O-N 2.84Å
114V94.8Very high92.7Very high30 Ų3081.5 Ų81.518%0.18237%0.374CS..BIsolated β-bridgetrans-115.6151.7-177.5-61.60000111W108 Q112 N119 Q120W108-V114 PolarHBondContact NE1-O 3.46Å; Q112-V114 HydrophobicContact CB-CG2 4.14Å; Q112-V114 PolarHBondContact O-N 2.86Å; Q112-V114 VanDerWaalsContact O-N 3.14Å; V114-N119 WeakPolarHBondContact CG2-OD1 3.46Å; V114-Q120 CarbonylContact C-O 3.46Å; V114-Q120 WeakPolarHBondContact CA-O 3.5Å; V114-Q120 WeakPolarHBondContact CB-O 2.99Å
115C93.6Very high92.3Very high1 Ų186.2 Ų86.21%0.00740%0.395CS..  trans-66.7133.8171.1174.60000110H98 L117 D118 N119 Q120 W122H98-C115 PolarHBondContact ND1-SG 3.24Å; H98-C115 VanDerWaalsContact ND1-SG 3.41Å; C115-L117 PolarHBondContact O-N 2.88Å; C115-L117 VanDerWaalsContact O-N 3.17Å; C115-D118 WeakPolarHBondContact CB-OD1 3.37Å; C115-N119 WeakPolarHBondContact O-CA 3.41Å; C115-N119 PolarHBondContact O-N 2.99Å; C115-Q120 PolarHBondContact N-O 3.25Å; C115-W122 HydrophobicContact CB-CE3 3.99Å
116P92.2Very high91.3Very high46 Ų4692.6 Ų92.630%0.29943%0.425SS..THydrogen-bonded Turntrans-60.3-22.3179.1-21.728.7000115.4I64 F100 W108I64-P116 HydrophobicContact CD1-CG 4.15Å; I64-P116 HydrophobicContact CG1-CG 4.14Å; F100-P116 HydrophobicContact CE1-CG 4.34Å; F100-P116 HydrophobicContact CZ-CG 4.11Å; W108-P116 HydrophobicContact CD2-CG 3.95Å; W108-P116 HydrophobicContact CG-CG 4.16Å; W108-P116 HydrophobicContact CZ2-CB 4.16Å; W108-P116 HydrophobicContact CZ2-CG 4.13Å
117L91.6Very high89.9Confident75 Ų7592.7 Ų92.739%0.39343%0.43SS..THydrogen-bonded Turntrans-96.1-40.7-171.6-69.8173.4000113.7A63 H98 F100 C115A63-L117 HydrophobicContact CB-CD2 4.14Å; A63-L117 HydrophobicContact CB-CG 4.46Å; H98-L117 HydrophobicContact CB-CD1 4.01Å; H98-L117 WeakPolarHBondContact CD2-CD1 3.38Å; F100-L117 HydrophobicContact CE1-CD1 4.14Å; F100-L117 HydrophobicContact CE1-CG 4.43Å; F100-L117 HydrophobicContact CZ-CD1 3.86Å; F100-L117 HydrophobicContact CZ-CG 4.08Å; C115-L117 PolarHBondContact O-N 2.88Å; C115-L117 VanDerWaalsContact O-N 3.17Å
118D92.3Very high88.4Confident52 Ų5287.6 Ų87.628%0.27841%0.414SS..THydrogen-bonded Turntrans-114.3-3.3-17763.914000114.4C96 H98 C115 Q120C96-D118 WeakPolarHBondContact CB-OD2 3.12Å; H98-D118 IonicContact CE1-OD2 3.74Å; H98-D118 IonicContact ND1-OD2 3.63Å; C115-D118 WeakPolarHBondContact CB-OD1 3.37Å; D118-Q120 HydrophobicContact CB-CG 4.22Å; D118-Q120 PolarHBondContact O-N 3.34Å; D118-Q120 VanDerWaalsContact O-N 3.13Å; D118-Q120 WeakPolarHBondContact OD1-CB 3.32Å; D118-Q120 PolarHBondContact OD1-N 2.95Å
119N92.7Very high86.6Confident123 Ų12387 Ų8766%0.65843%0.429SS*.  trans57.819.5-176.8-162.438.7000114.4V114 C115V114-N119 WeakPolarHBondContact CG2-OD1 3.46Å; C115-N119 WeakPolarHBondContact O-CA 3.41Å; C115-N119 PolarHBondContact O-N 2.99Å
120Q91.7Very high84.7Confident125 Ų12593.2 Ų93.258%0.58446%0.462SS*.PPolyproline II helixtrans-83.7154.8173.5-64.2-63.2-33.400110.7V114 C115 D118 W122V114-Q120 CarbonylContact C-O 3.46Å; V114-Q120 WeakPolarHBondContact CA-O 3.5Å; V114-Q120 WeakPolarHBondContact CB-O 2.99Å; C115-Q120 PolarHBondContact N-O 3.25Å; D118-Q120 HydrophobicContact CB-CG 4.22Å; D118-Q120 PolarHBondContact O-N 3.34Å; D118-Q120 VanDerWaalsContact O-N 3.13Å; D118-Q120 WeakPolarHBondContact OD1-CB 3.32Å; D118-Q120 PolarHBondContact OD1-N 2.95Å; Q120-W122 PolarHBondContact O-N 3.33Å; Q120-W122 VanDerWaalsContact O-N 3.14Å
121Q92.6Very high82.4Confident114 Ų11492.6 Ų92.653%0.53348%0.475SS..BIsolated β-bridgetrans-55.5120.2174.4176.758.552.100110R113 R123R113-Q121 VanDerWaalsContact O-CD 3.27Å; R113-Q121 PolarHBondContact O-NE2 3.09Å; R113-Q121 PolarHBondContact O-OE1 3.29Å; Q121-R123 PolarHBondContact O-N 3.3Å
122W92.6Very high81.8Confident17 Ų1792 Ų926%0.06447%0.467CS..PPolyproline II helixtrans-67.1131.1-179.1177.8-91.5000110.6T92 G94 F100 I105 L109 R113 C115 Q120 S124T92-W122 HydrophobicContact CG2-CZ2 4.04Å; G94-W122 VanDerWaalsContact CA-CH2 3.43Å; G94-W122 VanDerWaalsContact N-CH2 3.28Å; F100-W122 AromaticContact CD2-CH2 3.6Å; F100-W122 HydrophobicContact CD2-CH2 3.6Å; F100-W122 AromaticContact CD2-CZ3 3.58Å; F100-W122 HydrophobicContact CD2-CZ3 3.58Å; F100-W122 HydrophobicContact CE2-CE3 4.32Å; F100-W122 HydrophobicContact CE2-CH2 4.02Å; F100-W122 AromaticContact CE2-CZ3 3.5Å; F100-W122 HydrophobicContact CE2-CZ3 3.5Å; F100-W122 VanDerWaalsContact CE2-CZ3 3.5Å; I105-W122 HydrophobicContact CB-CZ2 4.46Å; I105-W122 HydrophobicContact CD1-CD2 3.94Å; I105-W122 HydrophobicContact CD1-CE3 3.95Å; I105-W122 HydrophobicContact CD1-CH2 4.38Å; I105-W122 HydrophobicContact CD1-CZ2 4.38Å; I105-W122 HydrophobicContact CD1-CZ3 4.2Å; I105-W122 HydrophobicContact CG1-CD2 3.83Å; I105-W122 HydrophobicContact CG1-CE3 4.19Å; I105-W122 HydrophobicContact CG1-CG 4.46Å; I105-W122 HydrophobicContact CG1-CH2 3.98Å; I105-W122 HydrophobicContact CG1-CZ2 3.6Å; I105-W122 HydrophobicContact CG1-CZ3 4.28Å; I105-W122 HydrophobicContact CG2-CZ2 4.29Å; L109-W122 HydrophobicContact CD1-CG 4.07Å; L109-W122 HydrophobicContact CD2-CB 3.47Å; L109-W122 VanDerWaalsContact CD2-CB 3.47Å; L109-W122 HydrophobicContact CD2-CG 3.61Å; L109-W122 HydrophobicContact CG-CG 4.37Å; R113-W122 PolarHBondContact O-N 2.84Å; C115-W122 HydrophobicContact CB-CE3 3.99Å; Q120-W122 PolarHBondContact O-N 3.33Å; Q120-W122 VanDerWaalsContact O-N 3.14Å; W122-S124 PolarHBondContact NE1-OG 3.11Å; W122-S124 VanDerWaalsContact NE1-OG 3.17Å
123R91.8Very high81.2Confident145 Ų14591.3 Ų91.355%0.54747%0.465SS..  trans-138.3132168-65.8-175.2-173.1176.41.5107.6G94 V95 Q121 E128G94-R123 CarbonylContact C-O 3.52Å; G94-R123 WeakPolarHBondContact CA-O 3.38Å; V95-R123 HydrophobicContact CB-CB 4.43Å; V95-R123 HydrophobicContact CG2-CB 3.63Å; V95-R123 WeakPolarHBondContact CG2-O 3.26Å; V95-R123 PolarHBondContact N-O 3.08Å; Q121-R123 PolarHBondContact O-N 3.3Å; R123-E128 VanDerWaalsContact CD-OE1 3.22Å; R123-E128 WeakPolarHBondContact CD-OE1 3.43Å; R123-E128 IonicContact NH1-OE1 3.34Å; R123-E128 PolarHBondContact NH1-OE1 3.43Å
124S87.2Confident80.6Confident32 Ų3287.4 Ų87.422%0.22446%0.457CS..BIsolated β-bridgetrans-79135.9177.2-56.40000109.3W122 H126 S127W122-S124 PolarHBondContact NE1-OG 3.11Å; W122-S124 VanDerWaalsContact NE1-OG 3.17Å; S124-H126 PolarHBondContact O-N 3.06Å; S124-S127 PolarHBondContact O-N 2.95Å; S124-S127 PolarHBondContact O-OG 3.32Å
125Q85.1Confident79.8Confident110 Ų11090.8 Ų90.851%0.51447%0.473SS..G310 helixtrans-57.9-35.9-177.6-173.5174.713.200112.4V93 S127 E128V93-Q125 WeakPolarHBondContact O-CB 3.31Å; V93-Q125 PolarHBondContact O-N 3.07Å; Q125-S127 PolarHBondContact O-N 2.86Å; Q125-E128 PolarHBondContact O-N 3.14Å
126H72.6Confident78.9Confident134 Ų13496.4 Ų96.462%0.6250%0.503SS*.G310 helixtrans-62-27.6176.3-68.2-70.3000113.7S124 E128S124-H126 PolarHBondContact O-N 3.06Å; H126-E128 VanDerWaalsContact C-N 3.29Å; H126-E128 PolarHBondContact O-N 3.11Å
127S64.7Low78.1Confident66 Ų6699.8 Ų99.846%0.46252%0.516SS..G310 helixtrans-77.2-14178.966.60000114.1S124 Q125S124-S127 PolarHBondContact O-N 2.95Å; S124-S127 PolarHBondContact O-OG 3.32Å; Q125-S127 PolarHBondContact O-N 2.86Å
128E59.3Low77.1Confident78 Ų78101.6 Ų101.636%0.36453%0.525SS..THydrogen-bonded Turntrans-99-13.5177.9-65.9-170.4165.700112.9V95 R123 Q125 H126 D130V95-E128 WeakPolarHBondContact CG1-OE2 3.39Å; V95-E128 HydrophobicContact CG2-CG 4.08Å; V95-E128 WeakPolarHBondContact CG2-OE2 3.25Å; R123-E128 VanDerWaalsContact CD-OE1 3.22Å; R123-E128 WeakPolarHBondContact CD-OE1 3.43Å; R123-E128 IonicContact NH1-OE1 3.34Å; R123-E128 PolarHBondContact NH1-OE1 3.43Å; Q125-E128 PolarHBondContact O-N 3.14Å; H126-E128 VanDerWaalsContact C-N 3.29Å; H126-E128 PolarHBondContact O-N 3.11Å; E128-D130 VanDerWaalsContact C-N 3.33Å
129A58.3Low75.9Confident77 Ų77105.4 Ų105.464%0.63654%0.544SS*.THydrogen-bonded Turntrans-78.5-17.3175.900000113.4
130D52.6Low74.5Confident145 Ų145103.9 Ų103.978%0.77554%0.535SS*.THydrogen-bonded Turntrans-102.411.3-176.9-65.6-24.5000113.8E128E128-D130 VanDerWaalsContact C-N 3.33Å
131N46Very low73Confident204 Ų204102 Ų102100%1.09153%0.53SS*.  trans-117.60172-85-35.6000111.2

Retrieved 131 of 131 residues in 80.7 ms (Link to these results)