A0A077ZFZ8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZFZ8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 192 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
1M79.7Confident91.5Very high192 Ų192107.2 Ų107.295%0.94650%0.504SS*.  0-42.60-159-179.7-8400113Q3 T4 S5M1-Q3 VanDerWaalsContact C-N 3.3Å; M1-Q3 PolarHBondContact O-N 3.44Å; M1-T4 PolarHBondContact O-N 3Å; M1-T4 PolarHBondContact O-OG1 2.94Å; M1-S5 PolarHBondContact O-N 3.13Å; M1-S5 VanDerWaalsContact O-N 3.1Å; M1-S5 PolarHBondContact O-OG 3.26Å
2V91.9Very high91.4Very high98 Ų98103.8 Ų103.859%0.59449%0.486SS*.Hα-helixtrans-60.4-38.4178.6-179.20000112.8S5 K6V2-S5 WeakPolarHBondContact CA-OG 3.31Å; V2-S5 PolarHBondContact O-OG 3.32Å; V2-K6 HydrophobicContact CG1-CD 4.15Å; V2-K6 HydrophobicContact CG1-CG 4.46Å; V2-K6 WeakPolarHBondContact O-CB 3.44Å; V2-K6 VanDerWaalsContact O-CG 3.31Å; V2-K6 WeakPolarHBondContact O-CG 3.11Å; V2-K6 PolarHBondContact O-N 3.14Å
3Q93.9Very high91Very high112 Ų112105 Ų10552%0.52351%0.505SS..Hα-helixtrans-67.4-43179.1-172.862.110.700112.2M1 S5 K6 E7M1-Q3 VanDerWaalsContact C-N 3.3Å; M1-Q3 PolarHBondContact O-N 3.44Å; Q3-S5 VanDerWaalsContact C-N 3.33Å; Q3-S5 PolarHBondContact O-N 2.86Å; Q3-K6 PolarHBondContact O-N 3.04Å; Q3-E7 HydrophobicContact CG-CG 4.49Å; Q3-E7 WeakPolarHBondContact CG-OE1 3.47Å; Q3-E7 PolarHBondContact NE2-OE1 3.34Å; Q3-E7 WeakPolarHBondContact O-CB 3.33Å; Q3-E7 WeakPolarHBondContact O-CG 3.38Å; Q3-E7 PolarHBondContact O-N 2.94Å
4T91.8Very high90.7Very high76 Ų76103.9 Ų103.947%0.46651%0.513SS..Hα-helixtrans-65.5-37.2179.455.10000111.8M1 A8M1-T4 PolarHBondContact O-N 3Å; M1-T4 PolarHBondContact O-OG1 2.94Å; T4-A8 WeakPolarHBondContact O-CB 3.35Å; T4-A8 PolarHBondContact O-N 2.93Å
5S91.3Very high90.6Very high28 Ų28100 Ų10020%0.19651%0.511CS..Hα-helixtrans-68.4-44173.954.30000112.1M1 V2 Q3 E7 A8 L9 F24M1-S5 PolarHBondContact O-N 3.13Å; M1-S5 VanDerWaalsContact O-N 3.1Å; M1-S5 PolarHBondContact O-OG 3.26Å; V2-S5 WeakPolarHBondContact CA-OG 3.31Å; V2-S5 PolarHBondContact O-OG 3.32Å; Q3-S5 VanDerWaalsContact C-N 3.33Å; Q3-S5 PolarHBondContact O-N 2.86Å; S5-E7 PolarHBondContact O-N 3.3Å; S5-A8 PolarHBondContact O-N 3.47Å; S5-L9 WeakPolarHBondContact O-CB 3.43Å; S5-L9 WeakPolarHBondContact O-CG 3.38Å; S5-L9 PolarHBondContact O-N 3.46Å; S5-F24 VanDerWaalsContact CB-CZ 3.47Å
6K94.5Very high90.9Very high131 Ų131101.7 Ų101.757%0.5752%0.521SS*.Hα-helixtrans-59-46.4174.8-75.9178.5178.6-177.50112.2V2 Q3 L9 R10V2-K6 HydrophobicContact CG1-CD 4.15Å; V2-K6 HydrophobicContact CG1-CG 4.46Å; V2-K6 WeakPolarHBondContact O-CB 3.44Å; V2-K6 VanDerWaalsContact O-CG 3.31Å; V2-K6 WeakPolarHBondContact O-CG 3.11Å; V2-K6 PolarHBondContact O-N 3.14Å; Q3-K6 PolarHBondContact O-N 3.04Å; K6-L9 PolarHBondContact O-N 3.43Å; K6-R10 WeakPolarHBondContact O-CB 3.49Å; K6-R10 PolarHBondContact O-N 2.83Å
7E94.3Very high91Very high83 Ų83104.9 Ų104.939%0.38853%0.526SS..Hα-helixtrans-64.9-43.1177.9-74174.5-169.300112Q3 S5 R10 R11Q3-E7 HydrophobicContact CG-CG 4.49Å; Q3-E7 WeakPolarHBondContact CG-OE1 3.47Å; Q3-E7 PolarHBondContact NE2-OE1 3.34Å; Q3-E7 WeakPolarHBondContact O-CB 3.33Å; Q3-E7 WeakPolarHBondContact O-CG 3.38Å; Q3-E7 PolarHBondContact O-N 2.94Å; S5-E7 PolarHBondContact O-N 3.3Å; E7-R10 PolarHBondContact O-N 3.24Å; E7-R11 WeakPolarHBondContact O-CG 3.37Å; E7-R11 PolarHBondContact O-N 3.08Å
8A91.3Very high91.3Very high20 Ų20106.1 Ų106.117%0.16553%0.534CS..Hα-helixtrans-63.3-43.9176.800000112T4 S5 R10 R11 F12 F24T4-A8 WeakPolarHBondContact O-CB 3.35Å; T4-A8 PolarHBondContact O-N 2.93Å; S5-A8 PolarHBondContact O-N 3.47Å; A8-R10 VanDerWaalsContact C-N 3.31Å; A8-R10 PolarHBondContact O-N 2.88Å; A8-R11 WeakPolarHBondContact O-CB 3.21Å; A8-R11 PolarHBondContact O-N 2.97Å; A8-R11 VanDerWaalsContact O-N 3.14Å; A8-F12 WeakPolarHBondContact O-CD2 3.36Å; A8-F12 PolarHBondContact O-N 3.38Å; A8-F24 HydrophobicContact CB-CD2 3.4Å; A8-F24 VanDerWaalsContact CB-CD2 3.4Å; A8-F24 HydrophobicContact CB-CE2 3.66Å; A8-F24 HydrophobicContact CB-CG 4.45Å
9L92.6Very high91.4Very high24 Ų24105.8 Ų105.813%0.12653%0.531CS..Hα-helixtrans-65.7-33.6176.8-68.3171.3000112.3S5 K6 R11 W17 R20 L21 F24S5-L9 WeakPolarHBondContact O-CB 3.43Å; S5-L9 WeakPolarHBondContact O-CG 3.38Å; S5-L9 PolarHBondContact O-N 3.46Å; K6-L9 PolarHBondContact O-N 3.43Å; L9-R11 VanDerWaalsContact C-N 3.33Å; L9-W17 HydrophobicContact CB-CH2 4.49Å; L9-W17 HydrophobicContact CD1-CH2 3.82Å; L9-W17 HydrophobicContact CD1-CZ2 4.24Å; L9-R20 HydrophobicContact CD2-CB 4.29Å; L9-L21 HydrophobicContact CD2-CD1 4.45Å; L9-F24 HydrophobicContact CD2-CB 4.09Å
10R92.7Very high91.5Very high222 Ų222104 Ų10484%0.83852%0.517SS*.Hα-helixtrans-66.8-32.7172.6-174.2179.3176.7-171.5-0.6112.5K6 E7 A8K6-R10 WeakPolarHBondContact O-CB 3.49Å; K6-R10 PolarHBondContact O-N 2.83Å; E7-R10 PolarHBondContact O-N 3.24Å; A8-R10 VanDerWaalsContact C-N 3.31Å; A8-R10 PolarHBondContact O-N 2.88Å
11R92.4Very high91.7Very high193 Ų193101.9 Ų101.973%0.72851%0.507SS*.Hα-helixtrans-70.3-32.9178.6-73171.6-176.1-176.82.4113E7 A8 L9 T13E7-R11 WeakPolarHBondContact O-CG 3.37Å; E7-R11 PolarHBondContact O-N 3.08Å; A8-R11 WeakPolarHBondContact O-CB 3.21Å; A8-R11 PolarHBondContact O-N 2.97Å; A8-R11 VanDerWaalsContact O-N 3.14Å; L9-R11 VanDerWaalsContact C-N 3.33Å; R11-T13 PolarHBondContact O-N 2.93Å; R11-T13 VanDerWaalsContact O-N 3.13Å
12F90.2Very high92.3Very high67 Ų6795.2 Ų95.229%0.29448%0.483SS..  trans-74.2104.4176.7-64.5-61.8000110.1A8 R20 F24A8-F12 WeakPolarHBondContact O-CD2 3.36Å; A8-F12 PolarHBondContact O-N 3.38Å; F12-R20 HydrophobicContact CB-CB 3.99Å; F12-R20 HydrophobicContact CB-CG 3.77Å; F12-R20 HydrophobicContact CD2-CB 4.48Å; F12-R20 VanDerWaalsContact O-CD 3.31Å; F12-R20 WeakPolarHBondContact O-CD 3.22Å; F12-R20 PolarHBondContact O-NE 2.94Å; F12-R20 PolarHBondContact O-NH1 3.2Å; F12-F24 HydrophobicContact CE2-CB 3.98Å
13T86.2Confident92.3Very high119 Ų11992.5 Ų92.573%0.7347%0.468SS*.  trans-89.5-23.7-178.352.50000113.2R11 R20R11-T13 PolarHBondContact O-N 2.93Å; R11-T13 VanDerWaalsContact O-N 3.13Å; T13-R20 PolarHBondContact O-NH2 2.88Å
14S87.8Confident92.3Very high89 Ų8988.1 Ų88.162%0.62245%0.447SS*.SBendtrans-103.7142.1-173.7590000113.1
15G89.1Confident92.4Very high46 Ų4688.2 Ų88.247%0.47445%0.445SS..SBendtrans86.5168.5172.200000114.6R20G15-R20 PolarHBondContact O-NE 3.29Å; G15-R20 PolarHBondContact O-NH2 3.01Å
16D94.4Very high92.5Very high127 Ų12790.5 Ų90.568%0.67945%0.454SS*.  trans-59.9157.9179.4-61.2-34.3000112.1N18 Q19 R20D16-N18 PolarHBondContact O-N 3.18Å; D16-Q19 WeakPolarHBondContact O-CB 3.46Å; D16-Q19 PolarHBondContact O-N 2.89Å; D16-R20 PolarHBondContact O-N 2.81Å; D16-R20 VanDerWaalsContact O-N 3.08Å
17W94Very high92.4Very high157 Ų15786.2 Ų86.260%0.59544%0.441SS*.Hα-helixtrans-50.9-44.4177.4178.2-107000112.7L9 Q19 R20 L21L9-W17 HydrophobicContact CB-CH2 4.49Å; L9-W17 HydrophobicContact CD1-CH2 3.82Å; L9-W17 HydrophobicContact CD1-CZ2 4.24Å; W17-Q19 VanDerWaalsContact C-N 3.3Å; W17-Q19 PolarHBondContact O-N 3.43Å; W17-R20 PolarHBondContact O-N 3.31Å; W17-L21 PolarHBondContact O-N 3.1Å
18N95.1Very high92.3Very high126 Ų12686.7 Ų86.767%0.67444%0.443SS*.Hα-helixtrans-61.5-38.1178.1-67.1-32000112.2D16 L21 A22D16-N18 PolarHBondContact O-N 3.18Å; N18-L21 PolarHBondContact O-N 2.96Å; N18-A22 VanDerWaalsContact O-CB 3.24Å; N18-A22 WeakPolarHBondContact O-CB 3.24Å; N18-A22 PolarHBondContact O-N 3.11Å
19Q94Very high92.5Very high101 Ų10189 Ų8947%0.47245%0.45SS..Hα-helixtrans-68.7-38.8178.8-17164.21500111.7D16 W17 S23D16-Q19 WeakPolarHBondContact O-CB 3.46Å; D16-Q19 PolarHBondContact O-N 2.89Å; W17-Q19 VanDerWaalsContact C-N 3.3Å; W17-Q19 PolarHBondContact O-N 3.43Å; Q19-S23 WeakPolarHBondContact O-CB 3.22Å; Q19-S23 PolarHBondContact O-N 3.28Å; Q19-S23 PolarHBondContact O-OG 2.92Å
20R93.8Very high92.5Very high69 Ų6990.7 Ų90.726%0.2646%0.459SS..Hα-helixtrans-65.2-45.4175.8-60-179.1-170.7-1634.1110.9L9 F12 T13 G15 D16 W17 S23 F24L9-R20 HydrophobicContact CD2-CB 4.29Å; F12-R20 HydrophobicContact CB-CB 3.99Å; F12-R20 HydrophobicContact CB-CG 3.77Å; F12-R20 HydrophobicContact CD2-CB 4.48Å; F12-R20 VanDerWaalsContact O-CD 3.31Å; F12-R20 WeakPolarHBondContact O-CD 3.22Å; F12-R20 PolarHBondContact O-NE 2.94Å; F12-R20 PolarHBondContact O-NH1 3.2Å; T13-R20 PolarHBondContact O-NH2 2.88Å; G15-R20 PolarHBondContact O-NE 3.29Å; G15-R20 PolarHBondContact O-NH2 3.01Å; D16-R20 PolarHBondContact O-N 2.81Å; D16-R20 VanDerWaalsContact O-N 3.08Å; W17-R20 PolarHBondContact O-N 3.31Å; R20-S23 PolarHBondContact O-N 3.26Å; R20-F24 WeakPolarHBondContact O-CB 3.31Å; R20-F24 PolarHBondContact O-N 3.34Å
21L94.7Very high92.5Very high60 Ų6084.4 Ų84.431%0.31445%0.445SS..Hα-helixtrans-62.8-46.2176.3-177.761.9000111.6L9 W17 N18 S23 F24 L25L9-L21 HydrophobicContact CD2-CD1 4.45Å; W17-L21 PolarHBondContact O-N 3.1Å; N18-L21 PolarHBondContact O-N 2.96Å; L21-S23 VanDerWaalsContact C-N 3.32Å; L21-S23 PolarHBondContact O-N 2.76Å; L21-F24 WeakPolarHBondContact O-CB 3.34Å; L21-F24 PolarHBondContact O-N 3.35Å; L21-L25 HydrophobicContact CD1-CD1 4.2Å; L21-L25 HydrophobicContact CD1-CG 4.22Å; L21-L25 HydrophobicContact CG-CD1 4.02Å; L21-L25 HydrophobicContact CG-CG 4.43Å; L21-L25 WeakPolarHBondContact O-CB 3.4Å; L21-L25 WeakPolarHBondContact O-CG 3.34Å; L21-L25 PolarHBondContact O-N 3.41Å
22A93.6Very high92.5Very high52 Ų5278.7 Ų78.743%0.4344%0.435SS..Hα-helixtrans-60.1-42.1176.600000111.8N18 L25 L26N18-A22 VanDerWaalsContact O-CB 3.24Å; N18-A22 WeakPolarHBondContact O-CB 3.24Å; N18-A22 PolarHBondContact O-N 3.11Å; A22-L25 PolarHBondContact O-N 2.84Å; A22-L26 WeakPolarHBondContact O-CB 3.5Å; A22-L26 PolarHBondContact O-N 3.39Å
23S91.9Very high92.5Very high41 Ų4178.1 Ų78.129%0.28744%0.439SS..Hα-helixtrans-65.1-42177.2-58.50000111.9Q19 R20 L21 S27Q19-S23 WeakPolarHBondContact O-CB 3.22Å; Q19-S23 PolarHBondContact O-N 3.28Å; Q19-S23 PolarHBondContact O-OG 2.92Å; R20-S23 PolarHBondContact O-N 3.26Å; L21-S23 VanDerWaalsContact C-N 3.32Å; L21-S23 PolarHBondContact O-N 2.76Å; S23-S27 PolarHBondContact O-N 2.85Å
24F93.4Very high93Very high19 Ų1979.7 Ų79.78%0.08345%0.448CS..Hα-helixtrans-60.2-52.9173.4171.3-108.4000111.6S5 A8 L9 F12 R20 L21 L26 S27 Q28S5-F24 VanDerWaalsContact CB-CZ 3.47Å; A8-F24 HydrophobicContact CB-CD2 3.4Å; A8-F24 VanDerWaalsContact CB-CD2 3.4Å; A8-F24 HydrophobicContact CB-CE2 3.66Å; A8-F24 HydrophobicContact CB-CG 4.45Å; L9-F24 HydrophobicContact CD2-CB 4.09Å; F12-F24 HydrophobicContact CE2-CB 3.98Å; R20-F24 WeakPolarHBondContact O-CB 3.31Å; R20-F24 PolarHBondContact O-N 3.34Å; L21-F24 WeakPolarHBondContact O-CB 3.34Å; L21-F24 PolarHBondContact O-N 3.35Å; F24-L26 VanDerWaalsContact C-N 3.33Å; F24-L26 PolarHBondContact O-N 3.06Å; F24-S27 PolarHBondContact O-N 2.67Å; F24-S27 PolarHBondContact O-OG 3.27Å; F24-Q28 HydrophobicContact CD2-CG 4.42Å; F24-Q28 HydrophobicContact CE1-CG 4.22Å; F24-Q28 HydrophobicContact CE2-CG 3.93Å; F24-Q28 HydrophobicContact CZ-CG 3.8Å; F24-Q28 PolarHBondContact O-N 2.81Å; F24-Q28 VanDerWaalsContact O-N 3.1Å
25L93.7Very high93.3Very high79 Ų7981.8 Ų81.841%0.41446%0.458SS..Hα-helixtrans-62.4-40.9-178.9-69.5175.2000111.9L21 A22 S27 Q28 H29L21-L25 HydrophobicContact CD1-CD1 4.2Å; L21-L25 HydrophobicContact CD1-CG 4.22Å; L21-L25 HydrophobicContact CG-CD1 4.02Å; L21-L25 HydrophobicContact CG-CG 4.43Å; L21-L25 WeakPolarHBondContact O-CB 3.4Å; L21-L25 WeakPolarHBondContact O-CG 3.34Å; L21-L25 PolarHBondContact O-N 3.41Å; A22-L25 PolarHBondContact O-N 2.84Å; L25-S27 VanDerWaalsContact C-N 3.34Å; L25-S27 PolarHBondContact O-N 3.1Å; L25-Q28 PolarHBondContact O-N 3.46Å; L25-H29 WeakPolarHBondContact O-CB 3.49Å; L25-H29 PolarHBondContact O-CD2 3.18Å; L25-H29 PolarHBondContact O-N 3.44Å
26L93.8Very high93.5Very high75 Ų7583.1 Ų83.139%0.39346%0.456SS..Hα-helixtrans-58.8-46.6175.2-17864.5000110.8A22 F24 Q28 H29 I30 L49A22-L26 WeakPolarHBondContact O-CB 3.5Å; A22-L26 PolarHBondContact O-N 3.39Å; F24-L26 VanDerWaalsContact C-N 3.33Å; F24-L26 PolarHBondContact O-N 3.06Å; L26-Q28 VanDerWaalsContact C-N 3.3Å; L26-Q28 PolarHBondContact O-N 3.44Å; L26-H29 PolarHBondContact O-N 2.88Å; L26-H29 VanDerWaalsContact O-N 3.16Å; L26-I30 HydrophobicContact CD1-CG2 3.92Å; L26-I30 HydrophobicContact CG-CG2 4.39Å; L26-I30 WeakPolarHBondContact O-CG1 3.44Å; L26-I30 WeakPolarHBondContact O-CG2 3.32Å; L26-I30 PolarHBondContact O-N 3.26Å; L26-L49 HydrophobicContact CD1-CD1 4.31Å
27S92.1Very high93.4Very high42 Ų4279.7 Ų79.729%0.29445%0.451SS..Hα-helixtrans-59.4-40.3178.274.60000112.5S23 F24 L25 T31S23-S27 PolarHBondContact O-N 2.85Å; F24-S27 PolarHBondContact O-N 2.67Å; F24-S27 PolarHBondContact O-OG 3.27Å; L25-S27 VanDerWaalsContact C-N 3.34Å; L25-S27 PolarHBondContact O-N 3.1Å; S27-T31 WeakPolarHBondContact O-CB 3.46Å; S27-T31 PolarHBondContact O-N 2.64Å; S27-T31 PolarHBondContact O-OG1 2.7Å
28Q92.5Very high93.4Very high92 Ų9279.1 Ų79.143%0.4345%0.449SS..Hα-helixtrans-66.3-39.8176.9-69.9-65.9-26.900111.8F24 L25 L26F24-Q28 HydrophobicContact CD2-CG 4.42Å; F24-Q28 HydrophobicContact CE1-CG 4.22Å; F24-Q28 HydrophobicContact CE2-CG 3.93Å; F24-Q28 HydrophobicContact CZ-CG 3.8Å; F24-Q28 PolarHBondContact O-N 2.81Å; F24-Q28 VanDerWaalsContact O-N 3.1Å; L25-Q28 PolarHBondContact O-N 3.46Å; L26-Q28 VanDerWaalsContact C-N 3.3Å; L26-Q28 PolarHBondContact O-N 3.44Å
29H93.5Very high93.4Very high70 Ų7073.3 Ų73.332%0.32442%0.418SS..Hα-helixtrans-78.5-24.5-175.7-78.9-157.4000114.3L25 L26 S39 A41 L49L25-H29 WeakPolarHBondContact O-CB 3.49Å; L25-H29 PolarHBondContact O-CD2 3.18Å; L25-H29 PolarHBondContact O-N 3.44Å; L26-H29 PolarHBondContact O-N 2.88Å; L26-H29 VanDerWaalsContact O-N 3.16Å; H29-S39 VanDerWaalsContact O-CB 3.3Å; H29-S39 WeakPolarHBondContact O-CB 3.47Å; H29-S39 PolarHBondContact O-OG 3.23Å; H29-A41 HydrophobicContact CB-CB 4.21Å; H29-A41 WeakPolarHBondContact O-CB 3.35Å; H29-A41 PolarHBondContact O-N 3.31Å; H29-A41 VanDerWaalsContact O-N 3.16Å; H29-L49 HydrophobicContact CB-CD1 4.01Å
30I94.3Very high93.4Very high58 Ų5871 Ų7130%0.29741%0.412SS..Hα-helixtrans-91.4-22.8178.667.3-175.7000113.7L26 S32 S39 L49L26-I30 HydrophobicContact CD1-CG2 3.92Å; L26-I30 HydrophobicContact CG-CG2 4.39Å; L26-I30 WeakPolarHBondContact O-CG1 3.44Å; L26-I30 WeakPolarHBondContact O-CG2 3.32Å; L26-I30 PolarHBondContact O-N 3.26Å; I30-S32 PolarHBondContact O-N 3.25Å; I30-S39 WeakPolarHBondContact O-CB 3.43Å; I30-L49 HydrophobicContact CG2-CB 3.93Å
31T92.6Very high93.5Very high90 Ų9067.8 Ų67.855%0.55240%0.4SS*.SBendtrans-70.7120.7-177.2-59.70000109.8S27 P40S27-T31 WeakPolarHBondContact O-CB 3.46Å; S27-T31 PolarHBondContact O-N 2.64Å; S27-T31 PolarHBondContact O-OG1 2.7Å; T31-P40 WeakPolarHBondContact O-CD 3.46Å
32S92.1Very high93.5Very high74 Ų7466.6 Ų66.652%0.51739%0.393SS..PPolyproline II helixtrans-67137.1174.353.40000110.8I30I30-S32 PolarHBondContact O-N 3.25Å
33S90.6Very high93.5Very high55 Ų5569.2 Ų69.239%0.38540%0.399SS..PPolyproline II helixtrans-78.5142.2172.1175.60000110.8T35 T36 G37 R38S33-T35 PolarHBondContact O-N 3.16Å; S33-T35 PolarHBondContact OG-N 3.36Å; S33-T36 WeakPolarHBondContact CB-OG1 3.39Å; S33-T36 PolarHBondContact O-N 2.71Å; S33-G37 WeakPolarHBondContact O-CA 3.35Å; S33-G37 PolarHBondContact O-N 3.03Å; S33-R38 PolarHBondContact N-O 2.68Å; S33-R38 VanDerWaalsContact N-O 3.1Å
34V95Very high93.7Very high151 Ų15173.3 Ų73.392%0.91542%0.417SS*.THydrogen-bonded Turntrans-60.4-35.7178178.30000111.4
35T95.4Very high93.7Very high134 Ų13476.6 Ų76.682%0.82243%0.434SS*.THydrogen-bonded Turntrans-76.2-40.7-176.8-50.70000112.7S33S33-T35 PolarHBondContact O-N 3.16Å; S33-T35 PolarHBondContact OG-N 3.36Å
36T92.2Very high93.6Very high73 Ų7380.2 Ų80.245%0.44845%0.453SS..THydrogen-bonded Turntrans-98.8-17.4-174.759.80000113.4S33 R38S33-T36 WeakPolarHBondContact CB-OG1 3.39Å; S33-T36 PolarHBondContact O-N 2.71Å; T36-R38 PolarHBondContact O-N 3.42Å; T36-R38 PolarHBondContact OG1-N 3.5Å; T36-R38 PolarHBondContact OG1-O 2.97Å
37G93.7Very high93.5Very high55 Ų5584 Ų8457%0.56746%0.462SS*.SBendtrans63.71.2-170.900000114.3S33S33-G37 WeakPolarHBondContact O-CA 3.35Å; S33-G37 PolarHBondContact O-N 3.03Å
38R93.4Very high93.5Very high146 Ų14689.7 Ų89.755%0.55148%0.477SS*.SBendtrans-113.8149.3-175.8-64.7-66.2-174.9158.22.1110.1S33 T36 E42 L43S33-R38 PolarHBondContact N-O 2.68Å; S33-R38 VanDerWaalsContact N-O 3.1Å; T36-R38 PolarHBondContact O-N 3.42Å; T36-R38 PolarHBondContact OG1-N 3.5Å; T36-R38 PolarHBondContact OG1-O 2.97Å; R38-E42 WeakPolarHBondContact CA-OE2 3.35Å; R38-E42 WeakPolarHBondContact CD-OE2 3.39Å; R38-E42 IonicContact NH1-OE2 3.06Å; R38-L43 HydrophobicContact CB-CD2 4.02Å; R38-L43 HydrophobicContact CB-CG 4.11Å; R38-L43 HydrophobicContact CG-CD2 4.48Å
39S94.2Very high93.4Very high3 Ų387.1 Ų87.12%0.02147%0.467CS..  trans-80.7152.6174.176.10000111H29 I30 A41 E42 L43H29-S39 VanDerWaalsContact O-CB 3.3Å; H29-S39 WeakPolarHBondContact O-CB 3.47Å; H29-S39 PolarHBondContact O-OG 3.23Å; I30-S39 WeakPolarHBondContact O-CB 3.43Å; S39-A41 PolarHBondContact O-N 3.1Å; S39-E42 PolarHBondContact N-OE2 3.48Å; S39-E42 WeakPolarHBondContact O-CB 3.21Å; S39-E42 PolarHBondContact O-N 3.33Å; S39-E42 WeakPolarHBondContact OG-CG 3.46Å; S39-E42 PolarHBondContact OG-N 3.32Å; S39-L43 PolarHBondContact O-N 3.24Å; S39-L43 VanDerWaalsContact O-N 3.09Å
40P94.6Very high93.2Very high54 Ų5491.8 Ų91.835%0.35148%0.481SS..Hα-helixtrans-55.1-34.6175.8-28.635.9000113.5T31 L43 L44T31-P40 WeakPolarHBondContact O-CD 3.46Å; P40-L43 PolarHBondContact O-N 3.16Å; P40-L44 VanDerWaalsContact O-CB 3.3Å; P40-L44 WeakPolarHBondContact O-CB 3.3Å; P40-L44 PolarHBondContact O-N 3.33Å
41A95.2Very high93Very high0 Ų090 Ų900%047%0.474CS..Hα-helixtrans-67.6-35.4175.300000113.2H29 S39 L43 L44 M45 R47 L49H29-A41 HydrophobicContact CB-CB 4.21Å; H29-A41 WeakPolarHBondContact O-CB 3.35Å; H29-A41 PolarHBondContact O-N 3.31Å; H29-A41 VanDerWaalsContact O-N 3.16Å; S39-A41 PolarHBondContact O-N 3.1Å; A41-L43 VanDerWaalsContact C-N 3.33Å; A41-L44 PolarHBondContact O-N 2.83Å; A41-M45 WeakPolarHBondContact O-CA 3.36Å; A41-M45 WeakPolarHBondContact O-CB 3.22Å; A41-M45 PolarHBondContact O-N 3.47Å; A41-R47 CarbonylContact C-O 3.48Å; A41-L49 HydrophobicContact CB-CD1 3.56Å; A41-L49 HydrophobicContact CB-CG 3.62Å
42E95.2Very high92.8Very high35 Ų3595.6 Ų95.616%0.16449%0.485CS..Hα-helixtrans-66.5-38.5174.2-73.1174.2170.900111.4R38 S39 N46 R47 R48R38-E42 WeakPolarHBondContact CA-OE2 3.35Å; R38-E42 WeakPolarHBondContact CD-OE2 3.39Å; R38-E42 IonicContact NH1-OE2 3.06Å; S39-E42 PolarHBondContact N-OE2 3.48Å; S39-E42 WeakPolarHBondContact O-CB 3.21Å; S39-E42 PolarHBondContact O-N 3.33Å; S39-E42 WeakPolarHBondContact OG-CG 3.46Å; S39-E42 PolarHBondContact OG-N 3.32Å; E42-N46 WeakPolarHBondContact O-CA 3.32Å; E42-N46 PolarHBondContact O-N 2.94Å; E42-R47 WeakPolarHBondContact CA-O 3.24Å; E42-R47 PolarHBondContact N-O 2.75Å; E42-R48 HydrophobicContact CG-CB 4.08Å; E42-R48 HydrophobicContact CG-CG 4.35Å; E42-R48 WeakPolarHBondContact OE1-CB 3.09Å; E42-R48 WeakPolarHBondContact OE1-CD 3.35Å; E42-R48 VanDerWaalsContact OE1-CG 3.24Å; E42-R48 WeakPolarHBondContact OE1-CG 3.5Å
43L95.1Very high92.5Very high107 Ų10798.2 Ų98.256%0.5649%0.492SS*.Hα-helixtrans-70.2-36.2177.1-65.3175000112.4R38 S39 P40 A41R38-L43 HydrophobicContact CB-CD2 4.02Å; R38-L43 HydrophobicContact CB-CG 4.11Å; R38-L43 HydrophobicContact CG-CD2 4.48Å; S39-L43 PolarHBondContact O-N 3.24Å; S39-L43 VanDerWaalsContact O-N 3.09Å; P40-L43 PolarHBondContact O-N 3.16Å; A41-L43 VanDerWaalsContact C-N 3.33Å
44L94.6Very high92.4Very high128 Ų12897 Ų9767%0.6748%0.482SS*.Hα-helixtrans-84.2-39-176.5-174.768.2000113.3P40 A41P40-L44 VanDerWaalsContact O-CB 3.3Å; P40-L44 WeakPolarHBondContact O-CB 3.3Å; P40-L44 PolarHBondContact O-N 3.33Å; A41-L44 PolarHBondContact O-N 2.83Å
45M93.3Very high91.8Very high88 Ų8899.6 Ų99.643%0.43348%0.475SS..Hα-helixtrans-119.84.9-170.2-57.3-178.9-178.400113.2A41 R47A41-M45 WeakPolarHBondContact O-CA 3.36Å; A41-M45 WeakPolarHBondContact O-CB 3.22Å; A41-M45 PolarHBondContact O-N 3.47Å; M45-R47 HydrophobicContact CB-CG 3.87Å; M45-R47 PolarHBondContact O-N 3.3Å
46N93.2Very high91.4Very high155 Ų15599.9 Ų99.983%0.82947%0.471SS*.SBendtrans5421.1-176.2-98.268.7000114.7E42E42-N46 WeakPolarHBondContact O-CA 3.32Å; E42-N46 PolarHBondContact O-N 2.94Å
47R91.8Very high90.7Very high153 Ų153102 Ų10258%0.57748%0.475SS*.SBendtrans-141.7148.1-178.969.5-178-176.9173.5-0.9111.6A41 E42 M45A41-R47 CarbonylContact C-O 3.48Å; E42-R47 WeakPolarHBondContact CA-O 3.24Å; E42-R47 PolarHBondContact N-O 2.75Å; M45-R47 HydrophobicContact CB-CG 3.87Å; M45-R47 PolarHBondContact O-N 3.3Å
48R90.5Very high89.9Confident162 Ų162103.6 Ų103.661%0.61148%0.476SS*.PPolyproline II helixtrans-84.1123.2173.6-160.717082.4147.62.7110.2E42 D54E42-R48 HydrophobicContact CG-CB 4.08Å; E42-R48 HydrophobicContact CG-CG 4.35Å; E42-R48 WeakPolarHBondContact OE1-CB 3.09Å; E42-R48 WeakPolarHBondContact OE1-CD 3.35Å; E42-R48 VanDerWaalsContact OE1-CG 3.24Å; E42-R48 WeakPolarHBondContact OE1-CG 3.5Å; R48-D54 IonicContact CZ-OD1 2.68Å; R48-D54 IonicContact NH2-OD1 3.37Å; R48-D54 PolarHBondContact NH2-OD1 2.94Å
49L91.4Very high88.9Confident39 Ų39101.1 Ų101.120%0.20447%0.474CS..PPolyproline II helixtrans-70.5136172.6-63.2174.8000109.7L26 H29 I30 A41L26-L49 HydrophobicContact CD1-CD1 4.31Å; H29-L49 HydrophobicContact CB-CD1 4.01Å; I30-L49 HydrophobicContact CG2-CB 3.93Å; A41-L49 HydrophobicContact CB-CD1 3.56Å; A41-L49 HydrophobicContact CB-CG 3.62Å
50R88.8Confident87.5Confident167 Ų167105.1 Ų105.163%0.6349%0.494SS*.PPolyproline II helixtrans-83.5128.2177.7-63-174.182145.2-0.2110.7D54 D59R50-D54 HydrophobicContact CB-CB 4.33Å; R50-D59 IonicContact NH2-OD1 3.11Å; R50-D59 PolarHBondContact NH2-OD1 2.74Å
51S90.1Very high86.4Confident21 Ų21105.7 Ų105.715%0.14750%0.499CS..  trans-95.6174.2171.673.10000111.2L53 D54S51-L53 PolarHBondContact O-N 3.4Å; S51-L53 PolarHBondContact OG-N 3.26Å; S51-D54 WeakPolarHBondContact CA-OD2 3.3Å; S51-D54 WeakPolarHBondContact CB-OD2 3.39Å; S51-D54 PolarHBondContact N-OD2 2.68Å; S51-D54 PolarHBondContact O-N 3.01Å; S51-D54 PolarHBondContact OG-N 3.2Å; S51-D54 PolarHBondContact OG-OD2 3.35Å
52R87.9Confident85.2Confident207 Ų207108.9 Ų108.978%0.78152%0.522SS*.SBendtrans-63.8-29.2171.7-66.1-178-178.6174.2-1.1112.2D54 R55R52-D54 VanDerWaalsContact C-N 3.34Å; R52-R55 WeakPolarHBondContact O-CB 3.37Å; R52-R55 PolarHBondContact O-N 3.37Å
53L87.1Confident84.1Confident129 Ų129110 Ų11068%0.67553%0.529SS*.G310 helixtrans-69.6-32.5176.6-64176.4000111.7S51 R55 L56S51-L53 PolarHBondContact O-N 3.4Å; S51-L53 PolarHBondContact OG-N 3.26Å; L53-R55 PolarHBondContact O-N 3.32Å; L53-R55 VanDerWaalsContact O-N 3.11Å; L53-L56 HydrophobicContact CD2-CD1 3.85Å; L53-L56 WeakPolarHBondContact O-CB 3.33Å; L53-L56 PolarHBondContact O-N 3.26Å
54D87Confident83.1Confident29 Ų29113.4 Ų113.416%0.15553%0.534CS..G310 helixtrans-66-12175-64-73.6000113.4R48 R50 S51 R52R48-D54 IonicContact CZ-OD1 2.68Å; R48-D54 IonicContact NH2-OD1 3.37Å; R48-D54 PolarHBondContact NH2-OD1 2.94Å; R50-D54 HydrophobicContact CB-CB 4.33Å; S51-D54 WeakPolarHBondContact CA-OD2 3.3Å; S51-D54 WeakPolarHBondContact CB-OD2 3.39Å; S51-D54 PolarHBondContact N-OD2 2.68Å; S51-D54 PolarHBondContact O-N 3.01Å; S51-D54 PolarHBondContact OG-N 3.2Å; S51-D54 PolarHBondContact OG-OD2 3.35Å; R52-D54 VanDerWaalsContact C-N 3.34Å
55R83.2Confident82.1Confident207 Ų207111.6 Ų111.678%0.78152%0.522SS*.G310 helixtrans-88.4-17.3172.1-62-175.3178.6171.5-2.4113.1R52 L53 H57R52-R55 WeakPolarHBondContact O-CB 3.37Å; R52-R55 PolarHBondContact O-N 3.37Å; L53-R55 PolarHBondContact O-N 3.32Å; L53-R55 VanDerWaalsContact O-N 3.11Å; R55-H57 VanDerWaalsContact C-N 3.27Å
56L87Confident81.2Confident139 Ų139111.3 Ų111.373%0.72852%0.522SS*.THydrogen-bonded Turntrans-79.5-18.2174.4-59.4178.8000111.4L53L53-L56 HydrophobicContact CD2-CD1 3.85Å; L53-L56 WeakPolarHBondContact O-CB 3.33Å; L53-L56 PolarHBondContact O-N 3.26Å
57H77.8Confident80.3Confident118 Ų118109 Ų10955%0.54651%0.505SS..SBendtrans-69126.8169-159.8-78.4000108.1R55 D59R55-H57 VanDerWaalsContact C-N 3.27Å; H57-D59 PolarHBondContact O-N 3.4Å
58P76.7Confident79.6Confident88 Ų88105.2 Ų105.257%0.57150%0.496SS*.  trans-53.5131.4172.423.4-32.4000108L60P58-L60 HydrophobicContact CG-CD2 4.4Å; P58-L60 PolarHBondContact O-N 3.01Å
59D71.5Confident78.7Confident95 Ų95102.5 Ų102.551%0.50849%0.49SS..  trans-73.186.4-179.6-146.745.4000106.9R50 H57 S61 S62R50-D59 IonicContact NH2-OD1 3.11Å; R50-D59 PolarHBondContact NH2-OD1 2.74Å; H57-D59 PolarHBondContact O-N 3.4Å; D59-S61 VanDerWaalsContact CG-OG 3.31Å; D59-S61 PolarHBondContact O-N 3.09Å; D59-S61 PolarHBondContact OD2-OG 3.11Å; D59-S62 PolarHBondContact O-OG 3.47Å
60L66.6Low77.7Confident86 Ų86106.4 Ų106.445%0.4551%0.511SS..THydrogen-bonded Turntrans-68.113174.8-58.3176.7000111.5P58 S62 D63 R64P58-L60 HydrophobicContact CG-CD2 4.4Å; P58-L60 PolarHBondContact O-N 3.01Å; L60-S62 VanDerWaalsContact C-N 3.32Å; L60-D63 HydrophobicContact CB-CB 4.39Å; L60-D63 HydrophobicContact CD2-CB 4.17Å; L60-R64 WeakPolarHBondContact O-CB 3.4Å; L60-R64 PolarHBondContact O-N 2.98Å
61S70.5Confident76.7Confident66 Ų66105 Ų10546%0.46252%0.516SS..Hα-helixtrans-61.7-44.517354.50000110D59 Q65D59-S61 VanDerWaalsContact CG-OG 3.31Å; D59-S61 PolarHBondContact O-N 3.09Å; D59-S61 PolarHBondContact OD2-OG 3.11Å; S61-Q65 WeakPolarHBondContact O-CB 3.41Å; S61-Q65 PolarHBondContact O-N 2.86Å
62S69.1Low75.3Confident68 Ų68108.2 Ų108.248%0.47654%0.539SS..Hα-helixtrans-61.7-58.5171.151.50000111.3D59 L60 R64 Q65 D66D59-S62 PolarHBondContact O-OG 3.47Å; L60-S62 VanDerWaalsContact C-N 3.32Å; S62-R64 PolarHBondContact O-N 2.92Å; S62-R64 VanDerWaalsContact O-N 3.11Å; S62-Q65 CarbonylContact O-C 3.49Å; S62-Q65 WeakPolarHBondContact O-CA 3.16Å; S62-Q65 WeakPolarHBondContact O-CB 3.27Å; S62-Q65 PolarHBondContact O-N 2.89Å; S62-D66 PolarHBondContact O-N 3.45Å
63D72.1Confident73.9Confident58 Ų58100.6 Ų100.631%0.3152%0.52SS..Hα-helixtrans-55.3-34.8177.917477.1000113.3L60 K67L60-D63 HydrophobicContact CB-CB 4.39Å; L60-D63 HydrophobicContact CD2-CB 4.17Å; D63-K67 VanDerWaalsContact O-CB 3.27Å; D63-K67 WeakPolarHBondContact O-CB 3.5Å; D63-K67 WeakPolarHBondContact O-CD 3.28Å; D63-K67 WeakPolarHBondContact O-CG 3.33Å; D63-K67 PolarHBondContact O-N 2.81Å; D63-K67 WeakPolarHBondContact OD1-CE 3.07Å; D63-K67 IonicContact OD1-NZ 3.79Å; D63-K67 PolarHBondContact OD1-NZ 2.79Å; D63-K67 WeakPolarHBondContact OD2-CE 3.47Å; D63-K67 IonicContact OD2-NZ 3.4Å; D63-K67 PolarHBondContact OD2-NZ 3.47Å
64R74.4Confident72.4Confident179 Ų17999.8 Ų99.868%0.67552%0.522SS*.Hα-helixtrans-70.5-41.4173.5-175.2-178.7-168.5147.75.3111.5L60 S62 K67 I68L60-R64 WeakPolarHBondContact O-CB 3.4Å; L60-R64 PolarHBondContact O-N 2.98Å; S62-R64 PolarHBondContact O-N 2.92Å; S62-R64 VanDerWaalsContact O-N 3.11Å; R64-K67 PolarHBondContact O-N 3.24Å; R64-I68 HydrophobicContact CG-CD1 3.89Å; R64-I68 HydrophobicContact CG-CG1 4.45Å; R64-I68 WeakPolarHBondContact O-CB 3.34Å; R64-I68 WeakPolarHBondContact O-CD1 3.4Å; R64-I68 WeakPolarHBondContact O-CG1 3.3Å; R64-I68 PolarHBondContact O-N 2.74Å
65Q74Confident70.9Confident90 Ų90103 Ų10342%0.42155%0.553SS.*Hα-helixtrans-65.5-45.1176.4-175.260.628.900110.1S61 S62 K67 I68 E69S61-Q65 WeakPolarHBondContact O-CB 3.41Å; S61-Q65 PolarHBondContact O-N 2.86Å; S62-Q65 CarbonylContact O-C 3.49Å; S62-Q65 WeakPolarHBondContact O-CA 3.16Å; S62-Q65 WeakPolarHBondContact O-CB 3.27Å; S62-Q65 PolarHBondContact O-N 2.89Å; Q65-K67 VanDerWaalsContact C-N 3.34Å; Q65-K67 PolarHBondContact O-N 2.85Å; Q65-I68 CarbonylContact O-C 3.54Å; Q65-I68 PolarHBondContact O-N 3.46Å; Q65-I68 VanDerWaalsContact O-N 3.13Å; Q65-E69 HydrophobicContact CG-CG 4.43Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.15Å; Q65-E69 PolarHBondContact NE2-OE1 2.81Å; Q65-E69 WeakPolarHBondContact O-CB 3.23Å; Q65-E69 VanDerWaalsContact O-CG 3.28Å; Q65-E69 WeakPolarHBondContact O-CG 3.43Å; Q65-E69 PolarHBondContact O-N 3.49Å
66D74.9Confident69.5Low81 Ų8198.4 Ų98.443%0.43355%0.551SS.*Hα-helixtrans-58.7-45.2174.7-58.4-25.9000110.2S62 I68 E69 D70S62-D66 PolarHBondContact O-N 3.45Å; D66-I68 PolarHBondContact O-N 2.73Å; D66-E69 CarbonylContact O-C 3.56Å; D66-E69 PolarHBondContact O-N 3.13Å; D66-D70 VanDerWaalsContact O-CB 3.3Å; D66-D70 WeakPolarHBondContact O-CB 3.42Å; D66-D70 PolarHBondContact O-N 2.84Å
67K74.8Confident68.2Low107 Ų107100.7 Ų100.747%0.46556%0.555SS.*Hα-helixtrans-63.7-40.1173.7-76.7167.7178.7163.90113.3D63 R64 Q65 E69 D70 D71D63-K67 VanDerWaalsContact O-CB 3.27Å; D63-K67 WeakPolarHBondContact O-CB 3.5Å; D63-K67 WeakPolarHBondContact O-CD 3.28Å; D63-K67 WeakPolarHBondContact O-CG 3.33Å; D63-K67 PolarHBondContact O-N 2.81Å; D63-K67 WeakPolarHBondContact OD1-CE 3.07Å; D63-K67 IonicContact OD1-NZ 3.79Å; D63-K67 PolarHBondContact OD1-NZ 2.79Å; D63-K67 WeakPolarHBondContact OD2-CE 3.47Å; D63-K67 IonicContact OD2-NZ 3.4Å; D63-K67 PolarHBondContact OD2-NZ 3.47Å; R64-K67 PolarHBondContact O-N 3.24Å; Q65-K67 VanDerWaalsContact C-N 3.34Å; Q65-K67 PolarHBondContact O-N 2.85Å; K67-E69 VanDerWaalsContact C-N 3.31Å; K67-D70 PolarHBondContact O-N 2.99Å; K67-D71 VanDerWaalsContact O-CB 3.23Å; K67-D71 WeakPolarHBondContact O-CB 3.13Å; K67-D71 PolarHBondContact O-N 2.67Å
68I75.9Confident67.7Low74 Ų74102.3 Ų102.338%0.37956%0.563SS.*Hα-helixtrans-66-39.4175.3-71.7163.7000109.9R64 Q65 D66 S72R64-I68 HydrophobicContact CG-CD1 3.89Å; R64-I68 HydrophobicContact CG-CG1 4.45Å; R64-I68 WeakPolarHBondContact O-CB 3.34Å; R64-I68 WeakPolarHBondContact O-CD1 3.4Å; R64-I68 WeakPolarHBondContact O-CG1 3.3Å; R64-I68 PolarHBondContact O-N 2.74Å; Q65-I68 CarbonylContact O-C 3.54Å; Q65-I68 PolarHBondContact O-N 3.46Å; Q65-I68 VanDerWaalsContact O-N 3.13Å; D66-I68 PolarHBondContact O-N 2.73Å; I68-S72 WeakPolarHBondContact O-CA 3.33Å; I68-S72 WeakPolarHBondContact O-CB 3.42Å; I68-S72 PolarHBondContact O-N 3.47Å; I68-S72 PolarHBondContact O-OG 3.41Å
69E72.9Confident67.6Low105 Ų105106.4 Ų106.449%0.49157%0.567SS.*Hα-helixtrans-69.6-36.9177.3-74.5178.6-16500111.3Q65 D66 K67 S72 A73Q65-E69 HydrophobicContact CG-CG 4.43Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.15Å; Q65-E69 PolarHBondContact NE2-OE1 2.81Å; Q65-E69 WeakPolarHBondContact O-CB 3.23Å; Q65-E69 VanDerWaalsContact O-CG 3.28Å; Q65-E69 WeakPolarHBondContact O-CG 3.43Å; Q65-E69 PolarHBondContact O-N 3.49Å; D66-E69 CarbonylContact O-C 3.56Å; D66-E69 PolarHBondContact O-N 3.13Å; K67-E69 VanDerWaalsContact C-N 3.31Å; E69-S72 CarbonylContact O-C 3.55Å; E69-S72 PolarHBondContact O-N 3.44Å; E69-A73 WeakPolarHBondContact O-CA 3.44Å; E69-A73 WeakPolarHBondContact O-CB 3.48Å; E69-A73 PolarHBondContact O-N 2.63Å
70D69.9Low68.2Low120 Ų120106.5 Ų106.564%0.64257%0.571SS**Hα-helixtrans-70.1-40.1173.6-74.5-22.3000111.6D66 K67 S72 A73D66-D70 VanDerWaalsContact O-CB 3.3Å; D66-D70 WeakPolarHBondContact O-CB 3.42Å; D66-D70 PolarHBondContact O-N 2.84Å; K67-D70 PolarHBondContact O-N 2.99Å; D70-S72 VanDerWaalsContact C-N 3.32Å; D70-A73 WeakPolarHBondContact O-CB 3.06Å; D70-A73 PolarHBondContact O-N 2.79Å
71D66.8Low69Low138 Ų138103.5 Ų103.574%0.73856%0.555SS**Hα-helixtrans-71.4-29174.2-73-29.3000111.6K67K67-D71 VanDerWaalsContact O-CB 3.23Å; K67-D71 WeakPolarHBondContact O-CB 3.13Å; K67-D71 PolarHBondContact O-N 2.67Å
72S61.2Low69.8Low89 Ų89106 Ų10662%0.62256%0.564SS**Hα-helixtrans-88.7-17.6176.3-58.60000112.8I68 E69 D70I68-S72 WeakPolarHBondContact O-CA 3.33Å; I68-S72 WeakPolarHBondContact O-CB 3.42Å; I68-S72 PolarHBondContact O-N 3.47Å; I68-S72 PolarHBondContact O-OG 3.41Å; E69-S72 CarbonylContact O-C 3.55Å; E69-S72 PolarHBondContact O-N 3.44Å; D70-S72 VanDerWaalsContact C-N 3.32Å
73A58Low70.7Confident47 Ų47106.5 Ų106.539%0.38856%0.564SS.*SBendtrans-57.2133.3169.400000105.7E69 D70 A75E69-A73 WeakPolarHBondContact O-CA 3.44Å; E69-A73 WeakPolarHBondContact O-CB 3.48Å; E69-A73 PolarHBondContact O-N 2.63Å; D70-A73 WeakPolarHBondContact O-CB 3.06Å; D70-A73 PolarHBondContact O-N 2.79Å; A73-A75 PolarHBondContact O-N 3.33Å
74P56.1Low71.6Confident112 Ų112109.6 Ų109.673%0.72758%0.58SS**  trans-69.980.4-171.528.9-35.2000109.9C76P74-C76 PolarHBondContact O-N 2.65Å
75A55.8Low72.2Confident97 Ų97103.3 Ų103.380%0.80256%0.558SS**  trans-58.4-16.9155.300000110.1A73 K77A73-A75 PolarHBondContact O-N 3.33Å; A75-K77 PolarHBondContact O-N 3.32Å
76C53.8Low73.1Confident110 Ų110102.9 Ų102.974%0.74356%0.563SS**  trans-65.276.9161.7-82.80000111.2P74 E78P74-C76 PolarHBondContact O-N 2.65Å; C76-E78 PolarHBondContact O-N 3.18Å
77K60.5Low73.9Confident186 Ų18699.3 Ų99.381%0.80954%0.544SS*.  trans-48.2117.8144.1-66177.9-178178.40105.9A75 R79A75-K77 PolarHBondContact O-N 3.32Å; K77-R79 PolarHBondContact O-N 2.87Å
78E65.5Low74.8Confident152 Ų15295.4 Ų95.471%0.7153%0.532SS*.  trans-55.4108.5177.8-166.7171.3-166.400106.8C76 V80C76-E78 PolarHBondContact O-N 3.18Å; E78-V80 VanDerWaalsContact C-N 3.32Å; E78-V80 HydrophobicContact CB-CG2 4.34Å; E78-V80 HydrophobicContact CG-CG2 3.89Å; E78-V80 PolarHBondContact O-N 3.18Å
79R75Confident75.6Confident175 Ų17592 Ų9266%0.6652%0.515SS*.  trans-74.295.9179.1-70.3-180175.4164.3-1.7105.1K77 I126K77-R79 PolarHBondContact O-N 2.87Å; R79-I126 HydrophobicContact CB-CD1 3.33Å; R79-I126 HydrophobicContact CB-CG1 4.29Å; R79-I126 WeakPolarHBondContact O-CD1 3.22Å
80V83.6Confident76.6Confident97 Ų9791.7 Ų91.759%0.58851%0.509SS*.  trans-97.1128.9174.7-176.80000107.5E78E78-V80 VanDerWaalsContact C-N 3.32Å; E78-V80 HydrophobicContact CB-CG2 4.34Å; E78-V80 HydrophobicContact CG-CG2 3.89Å; E78-V80 PolarHBondContact O-N 3.18Å
81L84.5Confident77.6Confident23 Ų2387.9 Ų87.912%0.1249%0.489CS..  trans-108.2135.3177.5-58.8175.7000109.7I103 Y112 I126 I129 T131L81-I103 HydrophobicContact CB-CD1 3.51Å; L81-I103 HydrophobicContact CD1-CD1 3.7Å; L81-I103 HydrophobicContact CG-CD1 4.17Å; L81-Y112 HydrophobicContact CB-CD1 4.39Å; L81-Y112 HydrophobicContact CB-CE1 3.82Å; L81-Y112 HydrophobicContact CD1-CD2 4.28Å; L81-Y112 HydrophobicContact CD1-CE2 4.17Å; L81-Y112 HydrophobicContact CG-CE2 4.46Å; L81-Y112 PolarHBondContact N-OH 3.21Å; L81-I126 HydrophobicContact CD1-CD1 4.16Å; L81-I126 HydrophobicContact CD1-CG1 4Å; L81-I126 HydrophobicContact CG-CD1 4.11Å; L81-I126 HydrophobicContact CG-CG1 4.46Å; L81-I129 HydrophobicContact CD1-CB 4.23Å; L81-I129 HydrophobicContact CD1-CD1 4.25Å; L81-I129 HydrophobicContact CD1-CG2 3.81Å; L81-T131 HydrophobicContact CD2-CG2 3.41Å; L81-T131 VanDerWaalsContact CD2-CG2 3.41Å
82D87.9Confident78.6Confident119 Ų11987 Ų8764%0.63648%0.478SS*.  trans-81.5147.4-179.8-71-41.8000112Q85D82-Q85 WeakPolarHBondContact O-CB 3.33Å; D82-Q85 PolarHBondContact O-N 3.05Å
83V88Confident79.7Confident78 Ų7887.5 Ų87.547%0.47349%0.488SS..THydrogen-bonded Turntrans-66.1138.7175.4-179.90000109.5Q85 T104V83-Q85 VanDerWaalsContact C-N 3.33Å; V83-T104 WeakPolarHBondContact CG1-O 3.43Å
84N89.4Confident80.6Confident122 Ų12288.6 Ų88.665%0.65249%0.493SS*.THydrogen-bonded Turntrans71.711.8-173.7-52.2-58.1000116.3T102 I103N84-T102 HydrophobicContact CB-CG2 4.45Å; N84-I103 WeakPolarHBondContact CA-O 3.47Å; N84-I103 PolarHBondContact N-O 3.11Å
85Q88Confident81.8Confident48 Ų4889.6 Ų89.622%0.22449%0.492CS..  trans-72.6134.7171-168.8-177.22.200111.3D82 V83 V87 I103D82-Q85 WeakPolarHBondContact O-CB 3.33Å; D82-Q85 PolarHBondContact O-N 3.05Å; V83-Q85 VanDerWaalsContact C-N 3.33Å; Q85-V87 HydrophobicContact CG-CG1 4.26Å; Q85-I103 PolarHBondContact O-N 2.84Å; Q85-I103 VanDerWaalsContact O-N 3.17Å
86P91.8Very high83.1Confident81 Ų8194 Ų9453%0.52649%0.488SS..EExtended strand (participates in β ladder)trans-72.1127.6169.529.9-33.1000110.3
87V93Very high84.7Confident6 Ų695.1 Ų95.14%0.03648%0.48CS..EExtended strand (participates in β ladder)trans-142.2155-177.4-65.40000111Q85 V89 A101 I103 I129 I130 T131Q85-V87 HydrophobicContact CG-CG1 4.26Å; V87-V89 HydrophobicContact CG2-CG2 4.13Å; V87-A101 PolarHBondContact N-O 3.37Å; V87-A101 CarbonylContact O-C 3.49Å; V87-A101 PolarHBondContact O-N 3.11Å; V87-I103 HydrophobicContact CG1-CD1 3.89Å; V87-I103 HydrophobicContact CG1-CG1 4.26Å; V87-I103 HydrophobicContact CG2-CD1 4.09Å; V87-I103 HydrophobicContact CG2-CG1 3.64Å; V87-I129 HydrophobicContact CB-CG2 3.55Å; V87-I129 HydrophobicContact CG1-CG2 3.9Å; V87-I129 HydrophobicContact CG2-CG2 3.57Å; V87-I130 CarbonylContact C-O 3.48Å; V87-I130 WeakPolarHBondContact CA-O 3.44Å; V87-I130 WeakPolarHBondContact CB-O 3.38Å; V87-T131 HydrophobicContact CG1-CG2 3.89Å
88A93.1Very high86.2Confident25 Ų2591.2 Ų91.221%0.20746%0.46CS..EExtended strand (participates in β ladder)trans-93.5128169.500000109.8W98 I129 I130A88-W98 HydrophobicContact CB-CB 4.43Å; A88-W98 HydrophobicContact CB-CE3 4.36Å; A88-I129 WeakPolarHBondContact O-CA 3.42Å; A88-I130 HydrophobicContact CB-CB 4.4Å; A88-I130 PolarHBondContact N-O 2.88Å; A88-I130 PolarHBondContact O-N 3.3Å
89V93.4Very high87.5Confident2 Ų284.9 Ų84.91%0.01243%0.432CS..EExtended strand (participates in β ladder)trans-109.8141-176.8171.20000110.5V87 N91 W98 V99 A101 A114 V122 R124 I129V87-V89 HydrophobicContact CG2-CG2 4.13Å; V89-N91 PolarHBondContact O-N 3.11Å; V89-W98 WeakPolarHBondContact O-CA 2.79Å; V89-V99 PolarHBondContact N-O 2.97Å; V89-V99 PolarHBondContact O-N 2.87Å; V89-A101 HydrophobicContact CB-CB 4.22Å; V89-A101 HydrophobicContact CG2-CB 3.64Å; V89-A114 HydrophobicContact CG2-CB 3.74Å; V89-V122 HydrophobicContact CG1-CG2 3.95Å; V89-R124 HydrophobicContact CG1-CB 4.39Å; V89-R124 HydrophobicContact CG1-CG 3.53Å; V89-I129 HydrophobicContact CG2-CG1 4.37Å
90R92.5Very high88.4Confident98 Ų9880.9 Ų80.937%0.3743%0.429SS..EExtended strand (participates in β ladder)trans-68.6121.8176.4-161.1172.9179.1175.9-0.7111.7F92 K97 W98 R124 H128R90-F92 HydrophobicContact CG-CE1 4.28Å; R90-F92 HydrophobicContact CG-CZ 4.35Å; R90-K97 CarbonylContact C-O 3.6Å; R90-K97 WeakPolarHBondContact CA-O 3.08Å; R90-K97 WeakPolarHBondContact CG-O 3.43Å; R90-W98 HydrophobicContact CB-CE3 4.16Å; R90-W98 HydrophobicContact CB-CH2 4.06Å; R90-W98 HydrophobicContact CB-CZ3 3.83Å; R90-W98 HydrophobicContact CG-CH2 4.49Å; R90-R124 PolarHBondContact O-NE 3.31Å; R90-H128 HydrophobicContact CB-CB 3.99Å; R90-H128 PolarHBondContact N-O 2.79Å
91N91.7Very high88.8Confident41 Ų4176.6 Ų76.622%0.21940%0.403CS..  trans-93.2130.6170.7-173.39.7000109.8V89 A93 S94 R96 K97 V99V89-N91 PolarHBondContact O-N 3.11Å; N91-A93 PolarHBondContact OD1-N 2.96Å; N91-A93 VanDerWaalsContact OD1-N 3.1Å; N91-S94 WeakPolarHBondContact ND2-CB 3.38Å; N91-R96 WeakPolarHBondContact CB-O 3.45Å; N91-K97 PolarHBondContact N-O 3.09Å; N91-V99 HydrophobicContact CB-CG2 3.67Å
92F88.4Confident89.3Confident119 Ų11978.4 Ų78.452%0.52242%0.416SS..SBendtrans-101.9-14.3-179.8-65-71.1000113.1R90 H128R90-F92 HydrophobicContact CG-CE1 4.28Å; R90-F92 HydrophobicContact CG-CZ 4.35Å; F92-H128 AromaticContact CZ-CE1 3.72Å; F92-H128 AromaticContact CZ-ND1 3.64Å
93A83.4Confident89.6Confident99 Ų9972.8 Ų72.882%0.81839%0.386SS*.SBendtrans-91.8-15.4-172.200000113.9N91N91-A93 PolarHBondContact OD1-N 2.96Å; N91-A93 VanDerWaalsContact OD1-N 3.1Å
94S77.4Confident89.8Confident70 Ų7071.2 Ų71.249%0.4938%0.376SS..SBendtrans-139.5175.2-166.9-157.50000113.1N91N91-S94 WeakPolarHBondContact ND2-CB 3.38Å
95D80.9Confident89.9Confident133 Ų13369.5 Ų69.571%0.71136%0.364SS*.SBendtrans-66-39.7-178.563.8-23.8000112.6K97D95-K97 PolarHBondContact O-N 3.11Å
96R82.7Confident90.1Very high189 Ų18970.8 Ų70.871%0.71338%0.379SS*.  trans-75.296.7175.1-66.8-172.8-177.2-157.21110.3N91 W98N91-R96 WeakPolarHBondContact CB-O 3.45Å; R96-W98 PolarHBondContact O-N 2.7Å
97K88.2Confident90.1Very high134 Ų13470.6 Ų70.658%0.58338%0.376SS*.SBendtrans-59-28.3-178.6-67.7-179.7-178.6174.50114.3R90 N91 D95R90-K97 CarbonylContact C-O 3.6Å; R90-K97 WeakPolarHBondContact CA-O 3.08Å; R90-K97 WeakPolarHBondContact CG-O 3.43Å; N91-K97 PolarHBondContact N-O 3.09Å; D95-K97 PolarHBondContact O-N 3.11Å
98W92.9Very high89.8Confident104 Ų10471.6 Ų71.639%0.39439%0.387SS..EExtended strand (participates in β ladder)trans-125.4126.2-176.3-64104.9000110.1A88 V89 R90 R96 H128 I130A88-W98 HydrophobicContact CB-CB 4.43Å; A88-W98 HydrophobicContact CB-CE3 4.36Å; V89-W98 WeakPolarHBondContact O-CA 2.79Å; R90-W98 HydrophobicContact CB-CE3 4.16Å; R90-W98 HydrophobicContact CB-CH2 4.06Å; R90-W98 HydrophobicContact CB-CZ3 3.83Å; R90-W98 HydrophobicContact CG-CH2 4.49Å; R96-W98 PolarHBondContact O-N 2.7Å; W98-H128 WeakPolarHBondContact CZ3-O 3.21Å; W98-I130 HydrophobicContact CD2-CD1 3.83Å; W98-I130 HydrophobicContact CE3-CD1 3.82Å; W98-I130 HydrophobicContact CE3-CG1 4.13Å; W98-I130 HydrophobicContact CH2-CD1 3.35Å; W98-I130 HydrophobicContact CH2-CG1 3.58Å; W98-I130 HydrophobicContact CZ2-CD1 3.34Å; W98-I130 HydrophobicContact CZ2-CG1 4.12Å; W98-I130 HydrophobicContact CZ3-CB 4.33Å; W98-I130 HydrophobicContact CZ3-CD1 3.58Å; W98-I130 HydrophobicContact CZ3-CG1 3.57Å
99V91.9Very high89.5Confident20 Ų2075.3 Ų75.312%0.12141%0.41CS..EExtended strand (participates in β ladder)trans-125.1132.6-178-176.80000109V89 N91 A101 L116V89-V99 PolarHBondContact N-O 2.97Å; V89-V99 PolarHBondContact O-N 2.87Å; N91-V99 HydrophobicContact CB-CG2 3.67Å; V99-A101 PolarHBondContact O-N 3.5Å; V99-L116 HydrophobicContact CB-CD1 3.88Å; V99-L116 HydrophobicContact CB-CG 4.36Å; V99-L116 HydrophobicContact CG1-CD1 3.55Å; V99-L116 HydrophobicContact CG1-CD2 3.8Å; V99-L116 HydrophobicContact CG1-CG 3.52Å
100P93Very high89.3Confident91 Ų9178 Ų7859%0.59143%0.426SS*.EExtended strand (participates in β ladder)trans-63.4136178.127.2-35.5000111.2
101A92.7Very high89.3Confident6 Ų674.9 Ų74.95%0.0542%0.419CS..EExtended strand (participates in β ladder)trans-147.8164.8179.400000111.1V87 V89 V99 A114 R115 L116V87-A101 PolarHBondContact N-O 3.37Å; V87-A101 CarbonylContact O-C 3.49Å; V87-A101 PolarHBondContact O-N 3.11Å; V89-A101 HydrophobicContact CB-CB 4.22Å; V89-A101 HydrophobicContact CG2-CB 3.64Å; V99-A101 PolarHBondContact O-N 3.5Å; A101-A114 HydrophobicContact CB-CB 3.9Å; A101-R115 CarbonylContact C-O 3.57Å; A101-R115 WeakPolarHBondContact CA-O 3.47Å; A101-R115 VanDerWaalsContact CB-O 3.31Å; A101-R115 WeakPolarHBondContact CB-O 3.45Å; A101-L116 HydrophobicContact CB-CD1 3.96Å
102T94.4Very high89.4Confident62 Ų6273.3 Ų73.338%0.3841%0.41SS..EExtended strand (participates in β ladder)trans-118.4131.9173-54.90000109.6N84 T104 A114 R115N84-T102 HydrophobicContact CB-CG2 4.45Å; T102-T104 PolarHBondContact O-N 3.15Å; T102-A114 CarbonylContact O-C 3.48Å; T102-A114 WeakPolarHBondContact O-CA 3.36Å; T102-R115 PolarHBondContact N-O 3.37Å; T102-R115 PolarHBondContact O-N 3.21Å
103I94.3Very high89.7Confident1 Ų171 Ų711%0.00540%0.4CS..EExtended strand (participates in β ladder)trans-67.5129.6-179.9-59.2176.1000109.9L81 N84 Q85 V87 Y112L81-I103 HydrophobicContact CB-CD1 3.51Å; L81-I103 HydrophobicContact CD1-CD1 3.7Å; L81-I103 HydrophobicContact CG-CD1 4.17Å; N84-I103 WeakPolarHBondContact CA-O 3.47Å; N84-I103 PolarHBondContact N-O 3.11Å; Q85-I103 PolarHBondContact O-N 2.84Å; Q85-I103 VanDerWaalsContact O-N 3.17Å; V87-I103 HydrophobicContact CG1-CD1 3.89Å; V87-I103 HydrophobicContact CG1-CG1 4.26Å; V87-I103 HydrophobicContact CG2-CD1 4.09Å; V87-I103 HydrophobicContact CG2-CG1 3.64Å; I103-Y112 HydrophobicContact CG2-CD1 4.03Å
104T93.2Very high90.2Very high45 Ų4566.2 Ų66.228%0.27636%0.361SS..EExtended strand (participates in β ladder)trans-100.8-45.3179.3-50.70000111.7V83 T102 K113V83-T104 WeakPolarHBondContact CG1-O 3.43Å; T102-T104 PolarHBondContact O-N 3.15Å; T104-K113 PolarHBondContact N-O 3.22Å
105E92Very high91Very high85 Ų8569.1 Ų69.140%0.39736%0.361SS..EExtended strand (participates in β ladder)trans-158.1150.5-178.756.9178.9-160.500112.3Y112 K113E105-Y112 WeakPolarHBondContact O-CA 3.5Å; E105-K113 HydrophobicContact CG-CB 3.84Å; E105-K113 HydrophobicContact CG-CD 4.04Å; E105-K113 HydrophobicContact CG-CG 4.03Å; E105-K113 PolarHBondContact N-O 2.81Å; E105-K113 PolarHBondContact O-N 3.39Å; E105-K113 WeakPolarHBondContact OE1-CD 3.43Å; E105-K113 WeakPolarHBondContact OE1-CE 3.16Å; E105-K113 IonicContact OE1-NZ 2.71Å; E105-K113 PolarHBondContact OE1-NZ 2.91Å
106S91.3Very high91.6Very high76 Ų7663.9 Ų63.953%0.53133%0.333SS..EExtended strand (participates in β ladder)trans-87.2116168.755.60000109.7
107T91.6Very high91.8Very high76 Ų7659.1 Ų59.147%0.46633%0.328SS..EExtended strand (participates in β ladder)trans-83.2-21.3175.8-53.10000112S111T107-S111 PolarHBondContact N-O 3.08Å
108G87.3Confident91.8Very high27 Ų2758.1 Ų58.128%0.27833%0.329SS..EExtended strand (participates in β ladder)trans-167.8-174.1175.700000111.2V110 S111G108-V110 PolarHBondContact O-N 2.85Å; G108-V110 VanDerWaalsContact O-N 3.09Å; G108-S111 PolarHBondContact N-O 3.44Å; G108-S111 VanDerWaalsContact N-O 3.14Å; G108-S111 PolarHBondContact O-N 3.06Å
109P85.9Confident91.5Very high104 Ų10455.5 Ų55.568%0.67534%0.335SS*.THydrogen-bonded Turntrans-57.4-31.2-173.3-24.833.2000113.9
110V89.8Confident91.5Very high57 Ų5763 Ų6335%0.34536%0.361SS..THydrogen-bonded Turntrans-127.56.3-174.8-153.80000112.5G108 H125 I126G108-V110 PolarHBondContact O-N 2.85Å; G108-V110 VanDerWaalsContact O-N 3.09Å; V110-H125 VanDerWaalsContact CG1-CE1 3.45Å; V110-H125 WeakPolarHBondContact CG1-CE1 3.47Å; V110-H125 WeakPolarHBondContact CG1-NE2 3.37Å; V110-H125 CarbonylContact O-C 3.48Å; V110-H125 WeakPolarHBondContact O-CA 3.2Å; V110-H125 PolarHBondContact O-CD2 2.84Å; V110-I126 HydrophobicContact CG1-CB 3.63Å; V110-I126 HydrophobicContact CG1-CG2 3.15Å; V110-I126 PolarHBondContact O-N 2.96Å
111S92.5Very high91.4Very high33 Ų3363.4 Ų63.423%0.23136%0.357CS..EExtended strand (participates in β ladder)trans-124.3126.2-172.4-66.40000111.3T107 G108T107-S111 PolarHBondContact N-O 3.08Å; G108-S111 PolarHBondContact N-O 3.44Å; G108-S111 VanDerWaalsContact N-O 3.14Å; G108-S111 PolarHBondContact O-N 3.06Å
112Y93.9Very high91.4Very high8 Ų864.4 Ų64.43%0.03136%0.362CS..EExtended strand (participates in β ladder)trans-127.2150.4-173.9-61.5-95.4000111.1L81 I103 E105 H123 R124 I126 I129L81-Y112 HydrophobicContact CB-CD1 4.39Å; L81-Y112 HydrophobicContact CB-CE1 3.82Å; L81-Y112 HydrophobicContact CD1-CD2 4.28Å; L81-Y112 HydrophobicContact CD1-CE2 4.17Å; L81-Y112 HydrophobicContact CG-CE2 4.46Å; L81-Y112 PolarHBondContact N-OH 3.21Å; I103-Y112 HydrophobicContact CG2-CD1 4.03Å; E105-Y112 WeakPolarHBondContact O-CA 3.5Å; Y112-H123 WeakPolarHBondContact O-CA 3.44Å; Y112-R124 PolarHBondContact N-O 2.89Å; Y112-R124 PolarHBondContact O-N 3.37Å; Y112-I126 HydrophobicContact CE2-CB 4.33Å; Y112-I126 HydrophobicContact CE2-CD1 3.92Å; Y112-I126 HydrophobicContact CE2-CG1 4.25Å; Y112-I129 HydrophobicContact CD2-CD1 4.07Å; Y112-I129 HydrophobicContact CG-CD1 4.21Å
113K95.3Very high91.4Very high70 Ų7065.8 Ų65.830%0.30436%0.364SS..EExtended strand (participates in β ladder)trans-99.6128.4164.2-60.2-165.5-161.8157.10109.2T104 E105 I121 V122T104-K113 PolarHBondContact N-O 3.22Å; E105-K113 HydrophobicContact CG-CB 3.84Å; E105-K113 HydrophobicContact CG-CD 4.04Å; E105-K113 HydrophobicContact CG-CG 4.03Å; E105-K113 PolarHBondContact N-O 2.81Å; E105-K113 PolarHBondContact O-N 3.39Å; E105-K113 WeakPolarHBondContact OE1-CD 3.43Å; E105-K113 WeakPolarHBondContact OE1-CE 3.16Å; E105-K113 IonicContact OE1-NZ 2.71Å; E105-K113 PolarHBondContact OE1-NZ 2.91Å; K113-I121 HydrophobicContact CB-CG2 3.95Å; K113-I121 HydrophobicContact CD-CG2 4.22Å; K113-V122 WeakPolarHBondContact CA-O 3.31Å
114A93Very high91.3Very high0 Ų068 Ų680%037%0.373CS..EExtended strand (participates in β ladder)trans-121.8140.6178.800000110.3V89 A101 T102 I121 V122V89-A114 HydrophobicContact CG2-CB 3.74Å; A101-A114 HydrophobicContact CB-CB 3.9Å; T102-A114 CarbonylContact O-C 3.48Å; T102-A114 WeakPolarHBondContact O-CA 3.36Å; A114-I121 WeakPolarHBondContact O-CA 3.45Å; A114-V122 HydrophobicContact CB-CG2 4.44Å; A114-V122 PolarHBondContact N-O 3.3Å; A114-V122 PolarHBondContact O-N 3.26Å
115R94.7Very high91.4Very high131 Ų13169.1 Ų69.149%0.49438%0.375SS..EExtended strand (participates in β ladder)trans-96.5117.9177-177-178.8-61.8179.21.7109.4A101 T102A101-R115 CarbonylContact C-O 3.57Å; A101-R115 WeakPolarHBondContact CA-O 3.47Å; A101-R115 VanDerWaalsContact CB-O 3.31Å; A101-R115 WeakPolarHBondContact CB-O 3.45Å; T102-R115 PolarHBondContact N-O 3.37Å; T102-R115 PolarHBondContact O-N 3.21Å
116L92.6Very high91.3Very high23 Ų2365.7 Ų65.712%0.1236%0.359CS..EExtended strand (participates in β ladder)trans-71164.1175.6-132.163.1000111V99 A101 D118 G119 R120V99-L116 HydrophobicContact CB-CD1 3.88Å; V99-L116 HydrophobicContact CB-CG 4.36Å; V99-L116 HydrophobicContact CG1-CD1 3.55Å; V99-L116 HydrophobicContact CG1-CD2 3.8Å; V99-L116 HydrophobicContact CG1-CG 3.52Å; A101-L116 HydrophobicContact CB-CD1 3.96Å; L116-D118 PolarHBondContact O-N 3.2Å; L116-D118 VanDerWaalsContact O-N 3.13Å; L116-G119 PolarHBondContact O-N 2.97Å; L116-R120 PolarHBondContact N-O 2.81Å
117S87.6Confident91.3Very high89 Ų8966.8 Ų66.862%0.62236%0.359SS*.THydrogen-bonded Turntrans-51.7-32.8169.2510000113.1G119S117-G119 PolarHBondContact O-N 3.06Å
118D87.4Confident91.3Very high112 Ų11265.8 Ų65.860%0.59935%0.349SS*.THydrogen-bonded Turntrans-80.85.3-176.2-49.4-13.5000112.6L116 R120L116-D118 PolarHBondContact O-N 3.2Å; L116-D118 VanDerWaalsContact O-N 3.13Å; D118-R120 PolarHBondContact O-N 3.09Å
119G87.7Confident91.5Very high50 Ų5065.2 Ų65.252%0.51534%0.339SS..SBendtrans78.8-8.7-177.500000115L116 S117L116-G119 PolarHBondContact O-N 2.97Å; S117-G119 PolarHBondContact O-N 3.06Å
120R90.5Very high91.7Very high178 Ų17863.1 Ų63.167%0.67232%0.322SS*.  trans-68.3135.5176.3-63.2-179.8-176.3-176-0.3110.8L116 D118L116-R120 PolarHBondContact N-O 2.81Å; D118-R120 PolarHBondContact O-N 3.09Å
121I92.6Very high91.5Very high99 Ų9961.5 Ų61.551%0.50831%0.312SS..EExtended strand (participates in β ladder)trans-98.2123.9174.9-59.3171.7000108.6K113 A114K113-I121 HydrophobicContact CB-CG2 3.95Å; K113-I121 HydrophobicContact CD-CG2 4.22Å; A114-I121 WeakPolarHBondContact O-CA 3.45Å
122V92.2Very high90.6Very high26 Ų2664.5 Ų64.516%0.15833%0.325CS..EExtended strand (participates in β ladder)trans-117.1136.6179.5-65.40000110.6V89 K113 A114 R124V89-V122 HydrophobicContact CG1-CG2 3.95Å; K113-V122 WeakPolarHBondContact CA-O 3.31Å; A114-V122 HydrophobicContact CB-CG2 4.44Å; A114-V122 PolarHBondContact N-O 3.3Å; A114-V122 PolarHBondContact O-N 3.26Å; V122-R124 HydrophobicContact CB-CG 4.48Å; V122-R124 HydrophobicContact CG2-CG 4.16Å
123H94.1Very high89Confident91 Ų9170.6 Ų70.642%0.42136%0.358SS..EExtended strand (participates in β ladder)trans-91.4129172.4-177.297.4000110.1Y112Y112-H123 WeakPolarHBondContact O-CA 3.44Å
124R93.2Very high87.2Confident49 Ų4971.9 Ų71.919%0.18537%0.373CS..EExtended strand (participates in β ladder)trans-145.9147.8-173.5-64.4-71.1-175.2-941.7112.3V89 R90 Y112 V122 H128 I129V89-R124 HydrophobicContact CG1-CB 4.39Å; V89-R124 HydrophobicContact CG1-CG 3.53Å; R90-R124 PolarHBondContact O-NE 3.31Å; Y112-R124 PolarHBondContact N-O 2.89Å; Y112-R124 PolarHBondContact O-N 3.37Å; V122-R124 HydrophobicContact CB-CG 4.48Å; V122-R124 HydrophobicContact CG2-CG 4.16Å; R124-H128 HydrophobicContact CB-CB 4.39Å; R124-I129 HydrophobicContact CB-CD1 4.25Å; R124-I129 HydrophobicContact CB-CG1 4.17Å
125H94Very high85Confident68 Ų6881.3 Ų81.332%0.31541%0.408SS..EExtended strand (participates in β ladder)trans-76.2154.8171.2-170.5-107000110.5V110 D127 H128V110-H125 VanDerWaalsContact CG1-CE1 3.45Å; V110-H125 WeakPolarHBondContact CG1-CE1 3.47Å; V110-H125 WeakPolarHBondContact CG1-NE2 3.37Å; V110-H125 CarbonylContact O-C 3.48Å; V110-H125 WeakPolarHBondContact O-CA 3.2Å; V110-H125 PolarHBondContact O-CD2 2.84Å; H125-D127 IonicContact CE1-OD2 3.45Å; H125-D127 PolarHBondContact CE1-OD2 2.86Å; H125-D127 PolarHBondContact ND1-N 2.84Å; H125-D127 IonicContact ND1-OD2 2.61Å; H125-D127 PolarHBondContact ND1-OD2 3.17Å; H125-D127 VanDerWaalsContact ND1-OD2 3.11Å; H125-D127 PolarHBondContact O-N 2.81Å; H125-H128 WeakPolarHBondContact O-CA 3.46Å; H125-H128 WeakPolarHBondContact O-CB 3.39Å; H125-H128 PolarHBondContact O-N 2.87Å
126I90.3Very high82.3Confident13 Ų1382 Ų827%0.06742%0.421CS..G310 helixtrans-58.1-35.3-177.6-157157.4000113.4R79 L81 V110 Y112 H128 I129R79-I126 HydrophobicContact CB-CD1 3.33Å; R79-I126 HydrophobicContact CB-CG1 4.29Å; R79-I126 WeakPolarHBondContact O-CD1 3.22Å; L81-I126 HydrophobicContact CD1-CD1 4.16Å; L81-I126 HydrophobicContact CD1-CG1 4Å; L81-I126 HydrophobicContact CG-CD1 4.11Å; L81-I126 HydrophobicContact CG-CG1 4.46Å; V110-I126 HydrophobicContact CG1-CB 3.63Å; V110-I126 HydrophobicContact CG1-CG2 3.15Å; V110-I126 PolarHBondContact O-N 2.96Å; Y112-I126 HydrophobicContact CE2-CB 4.33Å; Y112-I126 HydrophobicContact CE2-CD1 3.92Å; Y112-I126 HydrophobicContact CE2-CG1 4.25Å; I126-H128 PolarHBondContact O-N 3.5Å; I126-H128 VanDerWaalsContact O-N 3.08Å; I126-I129 PolarHBondContact O-N 2.83Å; I126-I129 VanDerWaalsContact O-O 3.05Å
127D90.6Very high80.1Confident99 Ų9986.8 Ų86.853%0.52945%0.454SS..G310 helixtrans-66.3-13177.8-60.3-29.5000112.8H125H125-D127 IonicContact CE1-OD2 3.45Å; H125-D127 PolarHBondContact CE1-OD2 2.86Å; H125-D127 PolarHBondContact ND1-N 2.84Å; H125-D127 IonicContact ND1-OD2 2.61Å; H125-D127 PolarHBondContact ND1-OD2 3.17Å; H125-D127 VanDerWaalsContact ND1-OD2 3.11Å; H125-D127 PolarHBondContact O-N 2.81Å
128H92.4Very high77.5Confident54 Ų5488.5 Ų88.525%0.2547%0.466CS..G310 helixtrans-102.513.6176.1-58164.6000112.3R90 F92 W98 R124 H125 I126R90-H128 HydrophobicContact CB-CB 3.99Å; R90-H128 PolarHBondContact N-O 2.79Å; F92-H128 AromaticContact CZ-CE1 3.72Å; F92-H128 AromaticContact CZ-ND1 3.64Å; W98-H128 WeakPolarHBondContact CZ3-O 3.21Å; R124-H128 HydrophobicContact CB-CB 4.39Å; H125-H128 WeakPolarHBondContact O-CA 3.46Å; H125-H128 WeakPolarHBondContact O-CB 3.39Å; H125-H128 PolarHBondContact O-N 2.87Å; I126-H128 PolarHBondContact O-N 3.5Å; I126-H128 VanDerWaalsContact O-N 3.08Å
129I91.8Very high74.8Confident15 Ų1586.5 Ų86.58%0.07747%0.472CS..EExtended strand (participates in β ladder)trans-129.1127.5180-54.9176.3000108.3L81 V87 A88 V89 Y112 R124 I126L81-I129 HydrophobicContact CD1-CB 4.23Å; L81-I129 HydrophobicContact CD1-CD1 4.25Å; L81-I129 HydrophobicContact CD1-CG2 3.81Å; V87-I129 HydrophobicContact CB-CG2 3.55Å; V87-I129 HydrophobicContact CG1-CG2 3.9Å; V87-I129 HydrophobicContact CG2-CG2 3.57Å; A88-I129 WeakPolarHBondContact O-CA 3.42Å; V89-I129 HydrophobicContact CG2-CG1 4.37Å; Y112-I129 HydrophobicContact CD2-CD1 4.07Å; Y112-I129 HydrophobicContact CG-CD1 4.21Å; R124-I129 HydrophobicContact CB-CD1 4.25Å; R124-I129 HydrophobicContact CB-CG1 4.17Å; I126-I129 PolarHBondContact O-N 2.83Å; I126-I129 VanDerWaalsContact O-O 3.05Å
130I90.2Very high72.1Confident61 Ų6189.8 Ų89.831%0.31349%0.487SS..EExtended strand (participates in β ladder)trans-114.5127178.5-66.1177000108.3V87 A88 W98 T134V87-I130 CarbonylContact C-O 3.48Å; V87-I130 WeakPolarHBondContact CA-O 3.44Å; V87-I130 WeakPolarHBondContact CB-O 3.38Å; A88-I130 HydrophobicContact CB-CB 4.4Å; A88-I130 PolarHBondContact N-O 2.88Å; A88-I130 PolarHBondContact O-N 3.3Å; W98-I130 HydrophobicContact CD2-CD1 3.83Å; W98-I130 HydrophobicContact CE3-CD1 3.82Å; W98-I130 HydrophobicContact CE3-CG1 4.13Å; W98-I130 HydrophobicContact CH2-CD1 3.35Å; W98-I130 HydrophobicContact CH2-CG1 3.58Å; W98-I130 HydrophobicContact CZ2-CD1 3.34Å; W98-I130 HydrophobicContact CZ2-CG1 4.12Å; W98-I130 HydrophobicContact CZ3-CB 4.33Å; W98-I130 HydrophobicContact CZ3-CD1 3.58Å; W98-I130 HydrophobicContact CZ3-CG1 3.57Å; I130-T134 WeakPolarHBondContact CG2-OG1 3.07Å
131T84.9Confident69.1Low23 Ų2389.2 Ų89.214%0.14149%0.492CS..EExtended strand (participates in β ladder)trans-88.8145.1169.854.40000110L81 V87 D133 T134L81-T131 HydrophobicContact CD2-CG2 3.41Å; L81-T131 VanDerWaalsContact CD2-CG2 3.41Å; V87-T131 HydrophobicContact CG1-CG2 3.89Å; T131-D133 PolarHBondContact O-N 3.24Å; T131-D133 VanDerWaalsContact O-N 3.11Å; T131-T134 PolarHBondContact O-N 3.1Å; T131-T134 PolarHBondContact O-OG1 3.42Å
132D73.4Confident66Low95 Ų9590.9 Ų90.951%0.50851%0.507SS..G310 helixtrans-60.5-21.8-179.7-82.8-34.6000113.2T134 R135D132-T134 PolarHBondContact O-N 3.03Å; D132-T134 VanDerWaalsContact O-N 3.09Å; D132-R135 WeakPolarHBondContact O-CA 3.49Å; D132-R135 WeakPolarHBondContact O-CB 2.99Å; D132-R135 PolarHBondContact O-N 2.83Å
133D61.7Low62.9Low136 Ų13693.2 Ų93.273%0.72754%0.536SS*.G310 helixtrans-59.3-23.1173.1-61.8-28.1000112.8T131T131-D133 PolarHBondContact O-N 3.24Å; T131-D133 VanDerWaalsContact O-N 3.11Å
134T55.6Low59.8Low98 Ų9895.7 Ų95.760%0.60156%0.558SS**G310 helixtrans-90.10.3174.861.10000113.6I130 T131 D132 N136I130-T134 WeakPolarHBondContact CG2-OG1 3.07Å; T131-T134 PolarHBondContact O-N 3.1Å; T131-T134 PolarHBondContact O-OG1 3.42Å; D132-T134 PolarHBondContact O-N 3.03Å; D132-T134 VanDerWaalsContact O-N 3.09Å; T134-N136 PolarHBondContact O-N 3.14Å; T134-N136 VanDerWaalsContact O-N 3.11Å
135R47.1Very low56.9Low197 Ų19797.6 Ų97.674%0.74358%0.583SS**  trans-86.359.3172.8-163.1-178.6-178.6156.8-0.7110.7D132D132-R135 WeakPolarHBondContact O-CA 3.49Å; D132-R135 WeakPolarHBondContact O-CB 2.99Å; D132-R135 PolarHBondContact O-N 2.83Å
136N39.5Very low53.8Low145 Ų145103.5 Ų103.578%0.77561%0.611SS**  trans-79.5129.6158.8-95.7-21000109.2T134 S138T134-N136 PolarHBondContact O-N 3.14Å; T134-N136 VanDerWaalsContact O-N 3.11Å; N136-S138 PolarHBondContact O-N 2.87Å
137P45.4Very low51.3Low124 Ų124108.4 Ų108.481%0.80564%0.644SS**  trans-85.2107.5-166.633.4-31.9000110.2
138S32.6Very low49.1Very low126 Ų126109.3 Ų109.388%0.88166%0.655SS**  trans-139.7116.9166.3-172.30000109N136N136-S138 PolarHBondContact O-N 2.87Å
139G31.3Very low46.4Very low70 Ų70113.4 Ų113.472%0.72268%0.684SS**  trans13535.8174.700000114.8E141G139-E141 PolarHBondContact O-N 2.81Å
140S31.8Very low43.6Very low118 Ų118116.7 Ų116.783%0.82571%0.713SS**  trans-79.152.6159.765.40000110.3
141E27.4Very low40.8Very low166 Ų166120.3 Ų120.378%0.77674%0.738SS**  trans-138.499.6179-67.3-166.2-155.600111.8G139G139-E141 PolarHBondContact O-N 2.81Å
142T27.2Very low38.3Very low135 Ų135127 Ų12783%0.82877%0.772SS**  54.2110.9128.3100000118.7
143G27.7Very low36.3Very low75 Ų75131.4 Ų131.477%0.77379%0.79SS**  trans84.191.4132.700000115.8
144V28.6Very low34.8Very low143 Ų143130 Ų13087%0.86779%0.79SS**  trans-124.7105.9150.8-173.10000107.7Q146V144-Q146 PolarHBondContact O-N 3.41Å
145A31Very low33.5Very low88 Ų88134 Ų13473%0.72780%0.802SS**  trans-50.5124.3164.800000109.5
146Q28.6Very low32.6Very low193 Ų193133.5 Ų133.590%0.90281%0.806SS**  trans-60.2140.1165.4-76.2172.5-2700109.7V144V144-Q146 PolarHBondContact O-N 3.41Å
147P37.7Very low32Very low115 Ų115135.8 Ų135.875%0.74781%0.811SS**  -134.8163.3120.326.9-9.2000113.2
148P45.4Very low31.3Very low118 Ų118135 Ų13577%0.76681%0.809SS**  trans-98.3152.2-156.437.3-31.2000111.9
149T35.6Very low31.1Very low141 Ų141137.1 Ų137.187%0.86581%0.811SS**  trans-147113151.9-37.70000109.3
150A32.5Very low31.3Very low83 Ų83138.8 Ų138.869%0.68682%0.818SS**  trans-65.5134.9175.100000110.6
151V33Very low31.2Very low137 Ų137142.5 Ų142.583%0.8382%0.822SS**  trans-148.497.1149.3-97.90000106.3
152L31.7Very low31.4Very low163 Ų163144 Ų14485%0.85383%0.826SS**  trans-86.2101.3169.8-77.7155000106.7
153E32Very low31.4Very low188 Ų188146.3 Ų146.388%0.87983%0.827SS**  trans-117.790.3161.9-80.1178.8163.700107.8
154S29.6Very low31.6Very low106 Ų106149 Ų14974%0.74183%0.829SS**  trans-69.3133161.5-74.60000109.2
155E28.5Very low31.9Very low183 Ų183146.6 Ų146.686%0.85582%0.824SS**  trans165132.4149.1-94.5174.7-155.200106
156K28Very low32.1Very low187 Ų187149 Ų14981%0.81383%0.829SS**  cis-165.4145.818-160.5170.3-175.2171.50107.8
157Q25.6Very low32.5Very low192 Ų192145.1 Ų145.190%0.89782%0.823SS**  trans-61.4140.5175.3-66.7156.1-60.900112.8
158S31Very low32.9Very low108 Ų108144.8 Ų144.876%0.75582%0.821SS**  trans-163.4101141.762.90000109.7
159D29.4Very low33.3Very low171 Ų171148.1 Ų148.191%0.91483%0.827SS**  trans-134.299.1159.2-86.5-46.9000106.9
160A36.1Very low34.5Very low105 Ų105147.6 Ų147.687%0.86882%0.823SS**  trans-84116.6169.600000108.1
161E28.3Very low35.9Very low195 Ų195148.2 Ų148.291%0.91182%0.82SS**  trans-57.3129.3162.3-70.7169.6128.100110.3
162K31.1Very low37.5Very low199 Ų199147.1 Ų147.187%0.86582%0.816SS**  trans-157109.9134.6-152.2161.4-178.8-179.50111.4
163Q27.3Very low39.2Very low182 Ų182145.2 Ų145.285%0.8581%0.813SS**  trans-65137.3155.9-64.8170-11.300109
164T32.2Very low40.9Very low133 Ų133141.1 Ų141.182%0.81681%0.805SS**  -176.7118.2127.6-69.40000107.1
165A34.9Very low42.8Very low92 Ų92142 Ų14276%0.7681%0.809SS**  trans-69128.5173.400000110.7
166V36.2Very low45Very low137 Ų137144.2 Ų144.283%0.8381%0.809SS**  trans-156.8134.6134.5-176.60000106.9
167S36Very low47.4Very low112 Ų112141.2 Ų141.278%0.78381%0.809SS**  trans-29.9124.6-175.8-61.70000116.8
168P47.1Very low49.8Very low109 Ų109139.5 Ų139.571%0.70880%0.804SS**  trans-87.211617832.6-28.8000110.9V170P168-V170 PolarHBondContact O-N 2.79Å
169E53.5Low52.2Low188 Ų188145.1 Ų145.188%0.87981%0.809SS**  trans-52.5114.3148.7-176.9110.3-167.700107P171E169-P171 WeakPolarHBondContact O-CD 3.07Å
170V61.3Low54.5Low129 Ų129143.9 Ų143.978%0.78280%0.802SS**  trans-57.1106.4-174179.50000109.1P168P168-V170 PolarHBondContact O-N 2.79Å
171P60.9Low56.6Low97 Ų97150.2 Ų150.263%0.6380%0.804SS**PPolyproline II helixtrans-69.2144.2173.329.9-30.2000107.9E169E169-P171 WeakPolarHBondContact O-CD 3.07Å
172P66.3Low59.1Low114 Ų114151.5 Ų151.574%0.7480%0.8SS**PPolyproline II helixtrans-56.8146.2-176.323-33000110.6S174P172-S174 PolarHBondContact O-N 2.87Å; P172-S174 VanDerWaalsContact O-N 3.12Å
173P67.4Low61.3Low122 Ų122146.8 Ų146.879%0.79279%0.79SS**PPolyproline II helixtrans-55.4122.3-175.923.2-33.5000109.6
174S68.1Low63.9Low103 Ų103141.5 Ų141.572%0.7277%0.771SS**PPolyproline II helixtrans-57.5133.5175.252.10000109.2P172 R176P172-S174 PolarHBondContact O-N 2.87Å; P172-S174 VanDerWaalsContact O-N 3.12Å; S174-R176 PolarHBondContact O-N 2.86Å
175P69.8Low66.2Low125 Ų125140.3 Ų140.381%0.81277%0.769SS**PPolyproline II helixtrans-60.2136.4179.722.5-30.9000109.4
176R75.3Confident68.5Low229 Ų229143.4 Ų143.486%0.86476%0.762SS**PPolyproline II helixtrans-56136178.6-65.7-178-178.9-138.20.8109S174 I178S174-R176 PolarHBondContact O-N 2.86Å; R176-I178 PolarHBondContact O-N 2.9Å; R176-I178 VanDerWaalsContact O-N 3.14Å
177P77Confident70.5Confident124 Ų124141.1 Ų141.181%0.80574%0.744SS**PPolyproline II helixtrans-58.3123.1179.622.2-31.9000110R179P177-R179 PolarHBondContact O-N 3.14Å; P177-R179 VanDerWaalsContact O-N 3.14Å
178I77.6Confident72.5Confident156 Ų156139.5 Ų139.580%0.873%0.733SS**  trans-67.1113.1177.4-63170.8000107.2R176 N180R176-I178 PolarHBondContact O-N 2.9Å; R176-I178 VanDerWaalsContact O-N 3.14Å; I178-N180 PolarHBondContact O-N 3Å
179R80.1Confident74.1Confident225 Ų225140.8 Ų140.885%0.84973%0.734SS**  trans-72.2117.4174.3-75.2-175.6173.8-175.6-2108.9P177 R181P177-R179 PolarHBondContact O-N 3.14Å; P177-R179 VanDerWaalsContact O-N 3.14Å; R179-R181 PolarHBondContact O-N 3.04Å
180N78.4Confident74.8Confident145 Ų145140.7 Ų140.778%0.77573%0.727SS**  trans-62.2104.6167.7-73.8-25.9000109.1I178 R182I178-N180 PolarHBondContact O-N 3Å; N180-R182 PolarHBondContact O-N 3.13Å
181R79.5Confident74.9Confident239 Ų239140.4 Ų140.490%0.90273%0.725SS**  trans-79.3102.5174.3-63.5-168.2-179.3-157.51.4108.2R179R179-R181 PolarHBondContact O-N 3.04Å
182R80.5Confident74.7Confident221 Ų221145.6 Ų145.683%0.83476%0.755SS**PPolyproline II helixtrans-98.7131.1164.3-71.5-174.9179.4178.4-0.1108.6N180N180-R182 PolarHBondContact O-N 3.13Å
183P78.8Confident75.1Confident100 Ų100147.2 Ų147.265%0.64976%0.755SS**PPolyproline II helixtrans-62.8150.7171.826.9-32.1000110
184P80.1Confident75.5Confident71 Ų71148.5 Ų148.546%0.46175%0.753SS.*PPolyproline II helixtrans-57.6144.8173.9-21.832.6000111.7Y186 L187P184-Y186 VanDerWaalsContact C-N 3.27Å; P184-Y186 HydrophobicContact CB-CD1 3.59Å; P184-Y186 HydrophobicContact CB-CE1 3.29Å; P184-Y186 HydrophobicContact CG-CE1 3.93Å; P184-Y186 PolarHBondContact O-N 2.61Å; P184-L187 PolarHBondContact O-N 3.37Å; P184-L187 VanDerWaalsContact O-N 3.15Å
185S81Confident75.9Confident109 Ų109151.1 Ų151.176%0.76276%0.755SS**G310 helixtrans-59.3-33.4-173.661.10000113.9L187 S188S185-L187 PolarHBondContact O-N 3.14Å; S185-L187 VanDerWaalsContact O-N 3.11Å; S185-S188 PolarHBondContact O-N 3.24Å; S185-S188 PolarHBondContact O-OG 2.91Å
186Y82.6Confident76.3Confident157 Ų157152.6 Ų152.662%0.61675%0.752SS**G310 helixtrans-68.6-8.5-178.272.9-93.5000114.3P184P184-Y186 VanDerWaalsContact C-N 3.27Å; P184-Y186 HydrophobicContact CB-CD1 3.59Å; P184-Y186 HydrophobicContact CB-CE1 3.29Å; P184-Y186 HydrophobicContact CG-CE1 3.93Å; P184-Y186 PolarHBondContact O-N 2.61Å
187L79.7Confident76.3Confident88 Ų88147.8 Ų147.846%0.46175%0.745SS.*G310 helixtrans-90.1-6.3179.4-13694.3000113.3P184 S185 D189 Y190P184-L187 PolarHBondContact O-N 3.37Å; P184-L187 VanDerWaalsContact O-N 3.15Å; S185-L187 PolarHBondContact O-N 3.14Å; S185-L187 VanDerWaalsContact O-N 3.11Å; L187-D189 PolarHBondContact O-N 3.32Å; L187-Y190 PolarHBondContact O-N 3.24Å
188S76.8Confident76.3Confident79 Ų79149.4 Ų149.455%0.55274%0.741SS**G310 helixtrans-60.9-28.3177.352.30000112.8S185 Y190S185-S188 PolarHBondContact O-N 3.24Å; S185-S188 PolarHBondContact O-OG 2.91Å; S188-Y190 PolarHBondContact O-N 3.12Å
189D81Confident76.2Confident135 Ų135148.9 Ų148.972%0.72274%0.737SS**G310 helixtrans-82.8-5.8-171.3-56-9000112.2L187L187-D189 PolarHBondContact O-N 3.32Å
190Y69.5Low75.9Confident187 Ų187143.1 Ų143.173%0.73373%0.728SS**G310 helixtrans-11331.4-178-66.5-81.8000113L187 S188 V192L187-Y190 PolarHBondContact O-N 3.24Å; S188-Y190 PolarHBondContact O-N 3.12Å; Y190-V192 PolarHBondContact O-N 3.2Å
191V61.9Low75.7Confident123 Ų123142.9 Ų142.975%0.74572%0.724SS**  trans-87.3107168-175.40000108.2
192V56.7Low75.3Confident206 Ų206134.2 Ų134.2100%1.24871%0.708SS**  trans-67.60166.6178.20000109.8Y190Y190-V192 PolarHBondContact O-N 3.2Å

Retrieved 192 of 192 residues in 266 ms (Link to these results)