A0A077Z8I2_TRITR Loading...

F-ATPase delta subunit

AlphaFold DB , UniProt , Accession A0A077Z8I2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 164 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
1M40.4Very low39.6Very low248 Ų248150.4 Ų150.4100%1.22281%0.811SS**  0104.60-84.4164.3160.200107.9
2L44.7Very low39.5Very low167 Ų167157.5 Ų157.587%0.87482%0.818SS**  trans-54.7159.6153.9-84.7149.8000108.4
3P45.5Very low39.4Very low99 Ų99159.2 Ų159.264%0.64383%0.825SS**  cis-155-164.235.336.4-10.9000115.6
4N44.8Very low39.1Very low127 Ų127151.5 Ų151.568%0.67981%0.805SS**  trans92.7102.6148.2-72-7.4000118.4
5M38.2Very low39Very low145 Ų145157.1 Ų157.171%0.71481%0.81SS**  87.4139.568.9-87.4-1687600111.8
6L43.9Very low38.9Very low130 Ų130159 Ų15968%0.68182%0.821SS**  trans86.6127.9162-57145.8000113.2
7K39.1Very low39.2Very low176 Ų176154.8 Ų154.877%0.76581%0.809SS**  cis-165.3127.215.3-93.9147-172.8-170.60104.9
8C28.6Very low39.3Very low136 Ų136151.1 Ų151.192%0.91980%0.798SS**  59.6116.699.2-159.80000115.1
9G32.4Very low39.7Very low64 Ų64150.2 Ų150.266%0.6681%0.805SS**  trans147.6104151.100000117.4
10I43.7Very low40.5Very low162 Ų162147.5 Ų147.583%0.83179%0.794SS**  trans73.6102.5146.3-68.8148.3000117.7
11Q34.9Very low41Very low200 Ų200150 Ų15094%0.93579%0.793SS**  trans-113.9107.8151.9-87.2175.7-43.300108.7
12R37.7Very low41.7Very low236 Ų236145.3 Ų145.389%0.89177%0.768SS**  trans-88.4125.8175.2-157.9178.8-155.2175.74.7108.1G14R12-G14 PolarHBondContact O-N 2.97Å
13I38.4Very low42.3Very low179 Ų179144.8 Ų144.892%0.91876%0.758SS**  trans-52.9121.1172.5-68.5148.1000110
14G34.7Very low42.8Very low52 Ų52144.8 Ų144.854%0.53677%0.767SS.*  trans-161.2147.8166.300000106R12R12-G14 PolarHBondContact O-N 2.97Å
15W38.6Very low43.2Very low235 Ų235145 Ų14589%0.8977%0.773SS**  cis-159.7129.136.2-86.464.1000107.9S17W15-S17 PolarHBondContact O-N 3.12Å
16L37Very low44.2Very low188 Ų188141.3 Ų141.398%0.98477%0.773SS**  trans-72.2106.7151.3-87.9137.8000106.3
17S43.5Very low45.1Very low87 Ų87144.6 Ų144.661%0.60878%0.784SS**  trans-126.896.1175.8173.10000109.7W15W15-S17 PolarHBondContact O-N 3.12Å
18S41.7Very low46.3Very low89 Ų89141.4 Ų141.462%0.62278%0.78SS**  32.3112129.9171.30000117.3V20S18-V20 VanDerWaalsContact C-N 3.33Å; S18-V20 PolarHBondContact O-N 3.21Å
19S46.8Very low48.2Very low133 Ų133136.7 Ų136.793%0.9375%0.75SS**  trans-59.395.7156.2-83.20000109.7
20V54.8Low50.6Low97 Ų97140.5 Ų140.559%0.58876%0.755SS**  trans-82.3127.9166.8170.60000107.5S18 Q22S18-V20 VanDerWaalsContact C-N 3.33Å; S18-V20 PolarHBondContact O-N 3.21Å; V20-Q22 HydrophobicContact CG1-CG 4.31Å; V20-Q22 PolarHBondContact O-N 3.2Å
21R52.1Low52.6Low201 Ų201136.8 Ų136.876%0.75873%0.733SS**  trans-65112.5166.1-70.1-175.2-177.8-134.2-0.2108.2
22Q54.8Low55.4Low148 Ų148127.3 Ų127.369%0.69269%0.689SS**  trans-101112.3176.3-76.4172.4-36.200108.8V20 A24V20-Q22 HydrophobicContact CG1-CG 4.31Å; V20-Q22 PolarHBondContact O-N 3.2Å; Q22-A24 PolarHBondContact O-N 3.43Å; Q22-A24 VanDerWaalsContact O-N 3.13Å
23F56.9Low58Low156 Ų156118.5 Ų118.568%0.68466%0.663SS**  trans-69.6108.6172-62.3-74.5000109.7T25 E102F23-T25 PolarHBondContact O-N 2.97Å; F23-T25 PolarHBondContact O-OG1 3.01Å; F23-E102 WeakPolarHBondContact CD1-OE1 3.44Å; F23-E102 WeakPolarHBondContact CE1-OE1 3.43Å
24A56.7Low60.7Low100 Ų100110 Ų11083%0.82662%0.619SS**SBendtrans51.546.2155.500000118.8Q22Q22-A24 PolarHBondContact O-N 3.43Å; Q22-A24 VanDerWaalsContact O-N 3.13Å
25T54.1Low63.7Low130 Ų130109.4 Ų109.480%0.79861%0.605SS**  trans-1215.9169.512.20000114.1F23F23-T25 PolarHBondContact O-N 2.97Å; F23-T25 PolarHBondContact O-OG1 3.01Å
26G58.3Low66.4Low69 Ų6998.2 Ų98.271%0.71156%0.563SS**SBendtrans-86.8158.4179.800000113.7
27E62.5Low69.2Low198 Ų19890 Ų9093%0.92552%0.522SS*.  trans-56136.8170.2-67178.513900110.3A29E27-A29 PolarHBondContact O-N 2.99Å; E27-A29 VanDerWaalsContact O-N 3.16Å
28V63.8Low71.7Confident110 Ų11086.5 Ų86.567%0.66750%0.498SS*.  trans-63115.9176.7179.80000107.5D30 T66V28-D30 PolarHBondContact O-N 3.15Å; V28-T66 WeakPolarHBondContact CG1-OG1 3.35Å
29A69.5Low74.1Confident36 Ų3687.1 Ų87.130%0.29850%0.502SS..  trans-71.3128174.700000108.9E27 K31 P65E27-A29 PolarHBondContact O-N 2.99Å; E27-A29 VanDerWaalsContact O-N 3.16Å; A29-K31 PolarHBondContact O-N 3.12Å; A29-P65 WeakPolarHBondContact O-CB 3.34Å
30D82.5Confident76.3Confident144 Ų14485.8 Ų85.877%0.7749%0.493SS*.SBendtrans-76.7-7.1175.4-71.4-30.2000112.6V28 P65V28-D30 PolarHBondContact O-N 3.15Å; D30-P65 VanDerWaalsContact O-CG 3.31Å; D30-P65 WeakPolarHBondContact O-CG 3.3Å
31K86.2Confident78.1Confident84 Ų8486 Ų8637%0.36549%0.486SS..SBendtrans-140.8159.5-173.3-54.5-171.3-165.4171.40111.9A29 D48 V84A29-K31 PolarHBondContact O-N 3.12Å; K31-D48 HydrophobicContact CB-CB 4.41Å; K31-D48 HydrophobicContact CD-CB 3.73Å; K31-D48 WeakPolarHBondContact CD-OD2 3.36Å; K31-D48 IonicContact NZ-OD2 2.64Å; K31-D48 PolarHBondContact NZ-OD2 3.06Å; K31-V84 HydrophobicContact CD-CG2 4.3Å
32I92.6Very high80.2Confident1 Ų180.6 Ų80.61%0.00548%0.475CS..EExtended strand (participates in β ladder)trans-97.2130.2174.1-59167.1000108.7L34 D48 V49 I63 P65 V106I32-L34 PolarHBondContact O-N 2.99Å; I32-D48 CarbonylContact O-C 3.51Å; I32-D48 WeakPolarHBondContact O-CA 3.11Å; I32-V49 WeakPolarHBondContact CB-O 3.34Å; I32-V49 PolarHBondContact N-O 3.29Å; I32-V49 PolarHBondContact O-N 3.02Å; I32-I63 HydrophobicContact CD1-CB 4.47Å; I32-I63 HydrophobicContact CD1-CG2 4.07Å; I32-I63 VanDerWaalsContact CD1-O 3.31Å; I32-I63 WeakPolarHBondContact CD1-O 3.44Å; I32-P65 HydrophobicContact CG1-CG 4.25Å; I32-V106 HydrophobicContact CG2-CB 3.77Å; I32-V106 HydrophobicContact CG2-CG2 3.39Å
33C93Very high82Confident51 Ų5175.1 Ų75.135%0.34545%0.449SS..EExtended strand (participates in β ladder)trans-88.297.3169.5-62.80000109.5S104 S105 V106C33-S104 PolarHBondContact N-O 2.91Å; C33-S104 VanDerWaalsContact N-O 3.08Å; C33-S105 WeakPolarHBondContact O-CA 3.48Å; C33-V106 PolarHBondContact O-N 3.02Å
34L95.5Very high83.8Confident1 Ų168.3 Ų68.31%0.00542%0.419CS..EExtended strand (participates in β ladder)trans-87.3130.8-176.2-178.262.9000111.9I32 F36 Y44 Q46 E47 V49 V52 V81 V106I32-L34 PolarHBondContact O-N 2.99Å; L34-F36 HydrophobicContact CD1-CB 4.49Å; L34-F36 HydrophobicContact CD2-CB 4.36Å; L34-F36 HydrophobicContact CG-CB 4.31Å; L34-Y44 HydrophobicContact CD2-CD1 4.45Å; L34-Y44 HydrophobicContact CD2-CD2 4.17Å; L34-Y44 HydrophobicContact CD2-CG 4.07Å; L34-Q46 WeakPolarHBondContact O-CA 3.32Å; L34-Q46 PolarHBondContact O-N 3.45Å; L34-E47 PolarHBondContact N-O 3.49Å; L34-E47 PolarHBondContact O-N 2.99Å; L34-V49 HydrophobicContact CB-CB 4.29Å; L34-V49 HydrophobicContact CB-CG2 3.75Å; L34-V49 HydrophobicContact CD2-CG2 3.94Å; L34-V52 HydrophobicContact CD1-CG2 4.16Å; L34-V52 HydrophobicContact CD2-CG2 3.94Å; L34-V81 HydrophobicContact CD2-CG1 3.74Å; L34-V81 HydrophobicContact CD2-CG2 4.11Å; L34-V106 HydrophobicContact CD1-CB 4.14Å; L34-V106 HydrophobicContact CD1-CG1 3.88Å
35T96.1Very high85.6Confident39 Ų3971 Ų7124%0.23941%0.412CS..EExtended strand (participates in β ladder)trans-116.2113.9161.3-57.80000108.1Y44 V106 Q107 L108T35-Y44 WeakPolarHBondContact CA-O 3.49Å; T35-V106 PolarHBondContact N-O 3.37Å; T35-Q107 WeakPolarHBondContact O-CA 3.45Å; T35-L108 PolarHBondContact O-N 3.01Å
36F96.5Very high87.4Confident1 Ų171.9 Ų71.90%0.00441%0.407CS..EExtended strand (participates in β ladder)trans-123.4118.5177174.2-143.1000110L34 F43 Y44 F91 V93 L108 A110 A113L34-F36 HydrophobicContact CD1-CB 4.49Å; L34-F36 HydrophobicContact CD2-CB 4.36Å; L34-F36 HydrophobicContact CG-CB 4.31Å; F36-F43 HydrophobicContact CD1-CB 3.49Å; F36-F43 VanDerWaalsContact CD1-CB 3.49Å; F36-F43 AromaticContact CD1-CD2 3.94Å; F36-F43 HydrophobicContact CD1-CD2 3.94Å; F36-F43 AromaticContact CD1-CG 3.9Å; F36-F43 HydrophobicContact CD1-CG 3.9Å; F36-F43 HydrophobicContact CE1-CB 3.9Å; F36-F43 AromaticContact CE1-CD2 3.63Å; F36-F43 HydrophobicContact CE1-CD2 3.63Å; F36-F43 HydrophobicContact CE1-CE2 4.31Å; F36-F43 AromaticContact CE1-CG 3.77Å; F36-F43 HydrophobicContact CE1-CG 3.77Å; F36-F43 HydrophobicContact CE2-CD2 4.41Å; F36-F43 HydrophobicContact CG-CB 4.17Å; F36-F43 HydrophobicContact CG-CD2 4.46Å; F36-F43 AromaticContact CZ-CD2 3.91Å; F36-F43 HydrophobicContact CZ-CD2 3.91Å; F36-F43 HydrophobicContact CZ-CE2 4.29Å; F36-F43 HydrophobicContact CZ-CG 4.5Å; F36-F43 PolarHBondContact O-N 3.23Å; F36-Y44 HydrophobicContact CB-CD2 3.98Å; F36-Y44 AromaticContact CD1-CD2 3.95Å; F36-Y44 HydrophobicContact CD1-CD2 3.95Å; F36-Y44 HydrophobicContact CD1-CE2 4.35Å; F36-Y44 HydrophobicContact CG-CD2 4.48Å; F36-Y44 PolarHBondContact N-O 3.36Å; F36-Y44 PolarHBondContact O-N 2.91Å; F36-F91 HydrophobicContact CD1-CD2 4.45Å; F36-F91 HydrophobicContact CE1-CB 3.86Å; F36-F91 AromaticContact CE1-CD1 3.96Å; F36-F91 HydrophobicContact CE1-CD1 3.96Å; F36-F91 AromaticContact CE1-CD2 3.93Å; F36-F91 HydrophobicContact CE1-CD2 3.93Å; F36-F91 HydrophobicContact CE1-CE2 4.48Å; F36-F91 AromaticContact CE1-CG 3.64Å; F36-F91 HydrophobicContact CE1-CG 3.64Å; F36-F91 HydrophobicContact CZ-CB 4.17Å; F36-F91 HydrophobicContact CZ-CG 4.42Å; F36-V93 HydrophobicContact CE2-CG2 4.2Å; F36-V93 HydrophobicContact CZ-CG2 3.95Å; F36-L108 WeakPolarHBondContact CA-O 3.38Å; F36-L108 HydrophobicContact CB-CB 4.45Å; F36-L108 HydrophobicContact CD2-CB 4.01Å; F36-L108 HydrophobicContact CD2-CD2 3.31Å; F36-L108 HydrophobicContact CD2-CG 4.19Å; F36-L108 WeakPolarHBondContact CD2-O 3.03Å; F36-L108 HydrophobicContact CE2-CD2 3.29Å; F36-L108 HydrophobicContact CG-CD2 4.33Å; F36-L108 HydrophobicContact CZ-CD2 4.28Å; F36-A110 HydrophobicContact CE2-CB 4.17Å; F36-A113 HydrophobicContact CE2-CB 4.16Å; F36-A113 HydrophobicContact CZ-CB 3.65Å
37A96.3Very high89Confident15 Ų1572.9 Ų72.912%0.12439%0.393CS..EExtended strand (participates in β ladder)trans-141.1148.2-178.600000112.1V42 L108 L109 A110A37-V42 HydrophobicContact CB-CB 4.39Å; A37-V42 HydrophobicContact CB-CG1 4.31Å; A37-V42 HydrophobicContact CB-CG2 4.02Å; A37-L108 PolarHBondContact N-O 3.5Å; A37-L108 VanDerWaalsContact N-O 3.1Å; A37-L109 HydrophobicContact CB-CD2 4.14Å; A37-L109 WeakPolarHBondContact O-CA 3.22Å; A37-A110 PolarHBondContact O-N 3.06Å
38S94.5Very high90.5Very high13 Ų1367.2 Ų67.29%0.09137%0.369CS..  trans-104.9170.2163.163.60000110.1S40 K41 A110S38-S40 PolarHBondContact O-N 3.21Å; S38-S40 PolarHBondContact OG-OG 2.64Å; S38-K41 PolarHBondContact N-O 3.44Å; S38-K41 PolarHBondContact OG-N 2.96Å; S38-K41 PolarHBondContact OG-O 3.46Å; S38-A110 VanDerWaalsContact CA-O 3.29Å; S38-A110 WeakPolarHBondContact CA-O 3.48Å
39S93.4Very high91.9Very high103 Ų10362 Ų6272%0.7234%0.338SS*.SBendtrans-56.3-28.917461.40000113.5E111S39-E111 WeakPolarHBondContact CB-O 3.32Å; S39-E111 PolarHBondContact N-O 3.49Å; S39-E111 PolarHBondContact OG-O 3.42Å
40S92.3Very high93Very high105 Ų10564.3 Ų64.373%0.73434%0.342SS*.SBendtrans-101.7-35.9-175.862.10000114S38S38-S40 PolarHBondContact O-N 3.21Å; S38-S40 PolarHBondContact OG-OG 2.64Å
41K93.4Very high93.5Very high100 Ų10059 Ų5944%0.43531%0.313SS..  trans-140.2136-171.2-175.3176.6177.7-178.60112.1S38 F43S38-K41 PolarHBondContact N-O 3.44Å; S38-K41 PolarHBondContact OG-N 2.96Å; S38-K41 PolarHBondContact OG-O 3.46Å; K41-F43 HydrophobicContact CB-CE2 4.42Å; K41-F43 HydrophobicContact CD-CE1 3.98Å; K41-F43 HydrophobicContact CD-CZ 4.04Å; K41-F43 HydrophobicContact CG-CZ 4.42Å
42V94.9Very high94Very high89 Ų8955 Ų5554%0.53930%0.296SS..EExtended strand (participates in β ladder)trans-91.6123169-177.30000108.4A37 K45A37-V42 HydrophobicContact CB-CB 4.39Å; A37-V42 HydrophobicContact CB-CG1 4.31Å; A37-V42 HydrophobicContact CB-CG2 4.02Å; V42-K45 HydrophobicContact CG1-CB 4.17Å
43F93.6Very high94.1Very high32 Ų3257.4 Ų57.414%0.1431%0.308CS..EExtended strand (participates in β ladder)trans-91.8-42.4-180-68-85.7000111.9F36 K41 F91 A113 T115F36-F43 HydrophobicContact CD1-CB 3.49Å; F36-F43 VanDerWaalsContact CD1-CB 3.49Å; F36-F43 AromaticContact CD1-CD2 3.94Å; F36-F43 HydrophobicContact CD1-CD2 3.94Å; F36-F43 AromaticContact CD1-CG 3.9Å; F36-F43 HydrophobicContact CD1-CG 3.9Å; F36-F43 HydrophobicContact CE1-CB 3.9Å; F36-F43 AromaticContact CE1-CD2 3.63Å; F36-F43 HydrophobicContact CE1-CD2 3.63Å; F36-F43 HydrophobicContact CE1-CE2 4.31Å; F36-F43 AromaticContact CE1-CG 3.77Å; F36-F43 HydrophobicContact CE1-CG 3.77Å; F36-F43 HydrophobicContact CE2-CD2 4.41Å; F36-F43 HydrophobicContact CG-CB 4.17Å; F36-F43 HydrophobicContact CG-CD2 4.46Å; F36-F43 AromaticContact CZ-CD2 3.91Å; F36-F43 HydrophobicContact CZ-CD2 3.91Å; F36-F43 HydrophobicContact CZ-CE2 4.29Å; F36-F43 HydrophobicContact CZ-CG 4.5Å; F36-F43 PolarHBondContact O-N 3.23Å; K41-F43 HydrophobicContact CB-CE2 4.42Å; K41-F43 HydrophobicContact CD-CE1 3.98Å; K41-F43 HydrophobicContact CD-CZ 4.04Å; K41-F43 HydrophobicContact CG-CZ 4.42Å; F43-F91 AromaticContact CD1-CD1 3.85Å; F43-F91 HydrophobicContact CD1-CD1 3.85Å; F43-F91 AromaticContact CD1-CE1 3.47Å; F43-F91 HydrophobicContact CD1-CE1 3.47Å; F43-F91 VanDerWaalsContact CD1-CE1 3.47Å; F43-F91 HydrophobicContact CD1-CZ 4.37Å; F43-F91 AromaticContact CE1-CD1 3.95Å; F43-F91 HydrophobicContact CE1-CD1 3.95Å; F43-F91 AromaticContact CE1-CE1 3.91Å; F43-F91 HydrophobicContact CE1-CE1 3.91Å; F43-F91 HydrophobicContact CG-CD1 4.42Å; F43-F91 HydrophobicContact CG-CE1 4.17Å; F43-A113 HydrophobicContact CE2-CB 3.72Å; F43-A113 HydrophobicContact CZ-CB 4.19Å; F43-A113 WeakPolarHBondContact CZ-O 3.43Å; F43-T115 HydrophobicContact CE1-CG2 4.4Å
44Y94.9Very high94.2Very high14 Ų1455.1 Ų55.16%0.05529%0.293CS..EExtended strand (participates in β ladder)trans-133.9134.6177.3-67.1-97.1000109.8L34 T35 F36 E47 V49 V81 K89 F91L34-Y44 HydrophobicContact CD2-CD1 4.45Å; L34-Y44 HydrophobicContact CD2-CD2 4.17Å; L34-Y44 HydrophobicContact CD2-CG 4.07Å; T35-Y44 WeakPolarHBondContact CA-O 3.49Å; F36-Y44 HydrophobicContact CB-CD2 3.98Å; F36-Y44 AromaticContact CD1-CD2 3.95Å; F36-Y44 HydrophobicContact CD1-CD2 3.95Å; F36-Y44 HydrophobicContact CD1-CE2 4.35Å; F36-Y44 HydrophobicContact CG-CD2 4.48Å; F36-Y44 PolarHBondContact N-O 3.36Å; F36-Y44 PolarHBondContact O-N 2.91Å; Y44-E47 HydrophobicContact CD1-CB 3.99Å; Y44-E47 HydrophobicContact CD1-CG 4.42Å; Y44-E47 WeakPolarHBondContact CD1-OE2 3.38Å; Y44-V49 HydrophobicContact CD1-CG2 4.48Å; Y44-V49 HydrophobicContact CE1-CG2 4.48Å; Y44-V81 HydrophobicContact CE1-CG1 4.16Å; Y44-V81 HydrophobicContact CE2-CB 4.4Å; Y44-V81 HydrophobicContact CE2-CG1 4.13Å; Y44-V81 HydrophobicContact CE2-CG2 4.23Å; Y44-K89 WeakPolarHBondContact OH-CD 3.27Å; Y44-F91 AromaticContact CE2-CE2 3.66Å; Y44-F91 HydrophobicContact CE2-CE2 3.66Å; Y44-F91 AromaticContact CE2-CZ 3.71Å; Y44-F91 HydrophobicContact CE2-CZ 3.71Å
45K94.1Very high94.2Very high155 Ų15555.7 Ų55.767%0.67430%0.297SS*.EExtended strand (participates in β ladder)trans-125.594.8179.1-173.9-176.7177.5-178.80110.8V42 E47V42-K45 HydrophobicContact CG1-CB 4.17Å; K45-E47 PolarHBondContact O-N 3.07Å
46Q91.4Very high94.1Very high149 Ų14954.3 Ų54.370%0.69629%0.288SS*.EExtended strand (participates in β ladder)trans52.145.8-178.9-56.1179.9-67.900111.6L34L34-Q46 WeakPolarHBondContact O-CA 3.32Å; L34-Q46 PolarHBondContact O-N 3.45Å
47E92.5Very high93.9Very high91 Ų9159.4 Ų59.443%0.42531%0.314SS..EExtended strand (participates in β ladder)trans-95.5143.8180-74.3178.4-144.200110.6L34 Y44 K45L34-E47 PolarHBondContact N-O 3.49Å; L34-E47 PolarHBondContact O-N 2.99Å; Y44-E47 HydrophobicContact CD1-CB 3.99Å; Y44-E47 HydrophobicContact CD1-CG 4.42Å; Y44-E47 WeakPolarHBondContact CD1-OE2 3.38Å; K45-E47 PolarHBondContact O-N 3.07Å
48D93Very high93.6Very high78 Ų7866 Ų6642%0.41735%0.347SS..EExtended strand (participates in β ladder)trans-75.6124.3177.1-75-6.2000110.7K31 I32 V84K31-D48 HydrophobicContact CB-CB 4.41Å; K31-D48 HydrophobicContact CD-CB 3.73Å; K31-D48 WeakPolarHBondContact CD-OD2 3.36Å; K31-D48 IonicContact NZ-OD2 2.64Å; K31-D48 PolarHBondContact NZ-OD2 3.06Å; I32-D48 CarbonylContact O-C 3.51Å; I32-D48 WeakPolarHBondContact O-CA 3.11Å; D48-V84 HydrophobicContact CB-CG2 4.32Å; D48-V84 WeakPolarHBondContact O-CG2 3.49Å
49V93.7Very high93.5Very high2 Ų267.2 Ų67.21%0.01236%0.362CS..EExtended strand (participates in β ladder)trans-131.2148.4-178.6-178.70000109I32 L34 Y44 Q51 V52 V81 T82I32-V49 WeakPolarHBondContact CB-O 3.34Å; I32-V49 PolarHBondContact N-O 3.29Å; I32-V49 PolarHBondContact O-N 3.02Å; L34-V49 HydrophobicContact CB-CB 4.29Å; L34-V49 HydrophobicContact CB-CG2 3.75Å; L34-V49 HydrophobicContact CD2-CG2 3.94Å; Y44-V49 HydrophobicContact CD1-CG2 4.48Å; Y44-V49 HydrophobicContact CE1-CG2 4.48Å; V49-Q51 WeakPolarHBondContact CG1-O 3.36Å; V49-V52 HydrophobicContact CG1-CG2 3.9Å; V49-V81 HydrophobicContact CB-CG1 4.49Å; V49-V81 HydrophobicContact CG1-CG1 3.53Å; V49-V81 HydrophobicContact CG2-CG1 4.06Å; V49-T82 WeakPolarHBondContact CG1-O 3.48Å
50Q92.9Very high93.4Very high83 Ų8371 Ų7139%0.38837%0.368SS..EExtended strand (participates in β ladder)trans-82.6-42.9179.5-171.1-177.727.100111.9T82Q50-T82 PolarHBondContact N-O 3.45Å
51Q93.5Very high93.5Very high34 Ų3467.5 Ų67.516%0.15934%0.343CS..EExtended strand (participates in β ladder)trans-149.5144.4-175.4176.2-178.9-11.100111.2V49 N53 I63 Y64 T82V49-Q51 WeakPolarHBondContact CG1-O 3.36Å; Q51-N53 PolarHBondContact NE2-ND2 2.92Å; Q51-N53 PolarHBondContact NE2-OD1 3.35Å; Q51-I63 WeakPolarHBondContact CA-O 3.46Å; Q51-Y64 HydrophobicContact CB-CD1 4.36Å; Q51-Y64 HydrophobicContact CB-CE1 4.03Å; Q51-Y64 HydrophobicContact CG-CD1 4.44Å; Q51-Y64 HydrophobicContact CG-CE1 3.95Å; Q51-Y64 HydrophobicContact CG-CE2 4.32Å; Q51-Y64 PolarHBondContact NE2-OH 3.32Å; Q51-Y64 VanDerWaalsContact OE1-CZ 3.24Å; Q51-Y64 PolarHBondContact OE1-OH 2.72Å; Q51-T82 PolarHBondContact N-O 3.28Å; Q51-T82 PolarHBondContact O-N 3.41Å
52V95.2Very high93.6Very high0 Ų064.3 Ų64.30%034%0.338CS..EExtended strand (participates in β ladder)trans-132.5120.9173.7-173.30000109.3L34 V49 V54 I63 V79 V81 L108L34-V52 HydrophobicContact CD1-CG2 4.16Å; L34-V52 HydrophobicContact CD2-CG2 3.94Å; V49-V52 HydrophobicContact CG1-CG2 3.9Å; V52-V54 HydrophobicContact CG1-CG2 3.68Å; V52-I63 HydrophobicContact CB-CB 4.41Å; V52-I63 HydrophobicContact CB-CD1 4.44Å; V52-I63 PolarHBondContact N-O 3.05Å; V52-I63 WeakPolarHBondContact O-CB 3.42Å; V52-I63 PolarHBondContact O-N 3.01Å; V52-V79 HydrophobicContact CG1-CG1 4.35Å; V52-V81 HydrophobicContact CG1-CG2 4.45Å; V52-L108 HydrophobicContact CG1-CD1 4.45Å
53N95.4Very high93.5Very high51 Ų5160.1 Ų60.127%0.27331%0.313SS..EExtended strand (participates in β ladder)trans-104.6129175.4-60.4-27.9000109.8Q51 V61 G62 V79 T80Q51-N53 PolarHBondContact NE2-ND2 2.92Å; Q51-N53 PolarHBondContact NE2-OD1 3.35Å; N53-V61 WeakPolarHBondContact CA-O 3.29Å; N53-G62 WeakPolarHBondContact OD1-CA 3.37Å; N53-V79 WeakPolarHBondContact O-CA 3.3Å; N53-T80 PolarHBondContact N-O 3.47Å; N53-T80 PolarHBondContact O-N 3.34Å
54V95.2Very high93.5Very high2 Ų264.3 Ų64.31%0.01233%0.328CS..EExtended strand (participates in β ladder)trans-134.3130.1-168-175.30000110.8V52 T56 V61 I63 L74 V79 L98 L108V52-V54 HydrophobicContact CG1-CG2 3.68Å; V54-T56 HydrophobicContact CG1-CG2 4.42Å; V54-T56 PolarHBondContact O-N 2.92Å; V54-V61 PolarHBondContact N-O 2.71Å; V54-V61 PolarHBondContact O-N 2.99Å; V54-I63 HydrophobicContact CG2-CD1 4Å; V54-L74 HydrophobicContact CG1-CD2 3.1Å; V54-L74 HydrophobicContact CG1-CG 4.49Å; V54-V79 HydrophobicContact CG1-CG2 4.46Å; V54-V79 HydrophobicContact CG2-CG1 4.49Å; V54-L98 HydrophobicContact CB-CD2 4.45Å; V54-L98 HydrophobicContact CG1-CD2 4.28Å; V54-L108 HydrophobicContact CB-CD1 4.5Å; V54-L108 HydrophobicContact CG1-CD1 4.05Å; V54-L108 HydrophobicContact CG2-CD1 3.58Å
55P94.9Very high93.3Very high14 Ų1465.3 Ų65.39%0.09134%0.337CS..EExtended strand (participates in β ladder)trans-78.1119.6170.630.8-30.5000110.2L74 K75 V79P55-L74 WeakPolarHBondContact O-CA 3.27Å; P55-K75 PolarHBondContact O-N 3.49Å; P55-V79 HydrophobicContact CG-CG2 4.49Å
56T94.3Very high93Very high9 Ų961.9 Ų61.96%0.05533%0.329CS..EExtended strand (participates in β ladder)trans-112.3166.3175.667.10000110.5V54 D58 G59 V61 V73 L98V54-T56 HydrophobicContact CG1-CG2 4.42Å; V54-T56 PolarHBondContact O-N 2.92Å; T56-D58 PolarHBondContact O-N 3.29Å; T56-G59 CarbonylContact C-O 3.47Å; T56-G59 WeakPolarHBondContact CA-O 3.35Å; T56-G59 PolarHBondContact N-O 3.47Å; T56-G59 PolarHBondContact O-N 3.37Å; T56-G59 VanDerWaalsContact O-N 3.16Å; T56-G59 PolarHBondContact OG1-O 3.02Å; T56-V61 HydrophobicContact CG2-CB 4.3Å; T56-V61 HydrophobicContact CG2-CG2 3.77Å; T56-V73 WeakPolarHBondContact CA-O 3.44Å; T56-L98 HydrophobicContact CG2-CD2 4.43Å
57I91.7Very high92.9Very high108 Ų10857.6 Ų57.655%0.55431%0.308SS*.THydrogen-bonded Turntrans-59-28.5176.160.2171.5000113.1V73I57-V73 HydrophobicContact CD1-CB 4.45Å; I57-V73 HydrophobicContact CG2-CB 4.17Å; I57-V73 HydrophobicContact CG2-CG1 4.2Å; I57-V73 PolarHBondContact N-O 3.21Å
58D90.4Very high92.9Very high154 Ų15458.5 Ų58.582%0.82432%0.32SS*.THydrogen-bonded Turntrans-91.92.6-178.1-62.3-59.1000113.2T56T56-D58 PolarHBondContact O-N 3.29Å
59G92.3Very high92.9Very high39 Ų3957.8 Ų57.840%0.40232%0.32SS..EExtended strand (participates in β ladder)trans127.7-160-17700000112.8T56T56-G59 CarbonylContact C-O 3.47Å; T56-G59 WeakPolarHBondContact CA-O 3.35Å; T56-G59 PolarHBondContact N-O 3.47Å; T56-G59 PolarHBondContact O-N 3.37Å; T56-G59 VanDerWaalsContact O-N 3.16Å; T56-G59 PolarHBondContact OG1-O 3.02Å
60E92.7Very high92.8Very high182 Ų18260.8 Ų60.885%0.8534%0.335SS*.EExtended strand (participates in β ladder)trans-95.7132.7178.4-67.8177.9-170.400111.1
61V94Very high92.9Very high32 Ų3264.1 Ų64.119%0.19435%0.354CS..EExtended strand (participates in β ladder)trans-115.9121.8180-179.70000109.5N53 V54 T56 I63N53-V61 WeakPolarHBondContact CA-O 3.29Å; V54-V61 PolarHBondContact N-O 2.71Å; V54-V61 PolarHBondContact O-N 2.99Å; T56-V61 HydrophobicContact CG2-CB 4.3Å; T56-V61 HydrophobicContact CG2-CG2 3.77Å; V61-I63 HydrophobicContact CG1-CG1 4.12Å
62G94.3Very high92.9Very high33 Ų3363.2 Ų63.234%0.3435%0.354SS..EExtended strand (participates in β ladder)trans-97116.6170.600000111.1N53N53-G62 WeakPolarHBondContact OD1-CA 3.37Å
63I94.3Very high92.9Very high1 Ų167.1 Ų67.11%0.00538%0.378CS..EExtended strand (participates in β ladder)trans-99.6126.4-175.9-48.6168.1000109.1I32 Q51 V52 V54 V61 H67 L98 I100 V106I32-I63 HydrophobicContact CD1-CB 4.47Å; I32-I63 HydrophobicContact CD1-CG2 4.07Å; I32-I63 VanDerWaalsContact CD1-O 3.31Å; I32-I63 WeakPolarHBondContact CD1-O 3.44Å; Q51-I63 WeakPolarHBondContact CA-O 3.46Å; V52-I63 HydrophobicContact CB-CB 4.41Å; V52-I63 HydrophobicContact CB-CD1 4.44Å; V52-I63 PolarHBondContact N-O 3.05Å; V52-I63 WeakPolarHBondContact O-CB 3.42Å; V52-I63 PolarHBondContact O-N 3.01Å; V54-I63 HydrophobicContact CG2-CD1 4Å; V61-I63 HydrophobicContact CG1-CG1 4.12Å; I63-H67 HydrophobicContact CG2-CB 3.99Å; I63-L98 HydrophobicContact CD1-CD1 3.84Å; I63-L98 HydrophobicContact CD1-CD2 3.95Å; I63-L98 HydrophobicContact CD1-CG 4.47Å; I63-I100 HydrophobicContact CD1-CD1 3.65Å; I63-I100 HydrophobicContact CD1-CG1 4.11Å; I63-I100 HydrophobicContact CG1-CD1 3.75Å; I63-I100 HydrophobicContact CG2-CD1 3.96Å; I63-V106 HydrophobicContact CD1-CG1 4.03Å; I63-V106 HydrophobicContact CG2-CG2 3.93Å
64Y93.1Very high92.9Very high120 Ų12065 Ų6547%0.47137%0.366SS..  trans-118.8169176-76.8-82.7000110.3Q51 H67Q51-Y64 HydrophobicContact CB-CD1 4.36Å; Q51-Y64 HydrophobicContact CB-CE1 4.03Å; Q51-Y64 HydrophobicContact CG-CD1 4.44Å; Q51-Y64 HydrophobicContact CG-CE1 3.95Å; Q51-Y64 HydrophobicContact CG-CE2 4.32Å; Q51-Y64 PolarHBondContact NE2-OH 3.32Å; Q51-Y64 VanDerWaalsContact OE1-CZ 3.24Å; Q51-Y64 PolarHBondContact OE1-OH 2.72Å; Y64-H67 WeakPolarHBondContact O-CB 3.16Å; Y64-H67 PolarHBondContact O-N 3.16Å
65P90.7Very high92.8Very high35 Ų3569 Ų6923%0.22738%0.384CS..THydrogen-bonded Turntrans-57.8144175.3-20.331.5000111.4A29 D30 I32 H67A29-P65 WeakPolarHBondContact O-CB 3.34Å; D30-P65 VanDerWaalsContact O-CG 3.31Å; D30-P65 WeakPolarHBondContact O-CG 3.3Å; I32-P65 HydrophobicContact CG1-CG 4.25Å; P65-H67 PolarHBondContact O-N 3.22Å
66T87.6Confident92.9Very high82 Ų8269.3 Ų69.350%0.50339%0.386SS..THydrogen-bonded Turntrans58.943-176.6-45.60000113.5V28 S104V28-T66 WeakPolarHBondContact CG1-OG1 3.35Å; T66-S104 PolarHBondContact N-OG 2.77Å; T66-S104 VanDerWaalsContact N-OG 3.15Å
67H89.8Confident92.9Very high59 Ų5969.4 Ų69.427%0.27339%0.389SS..PPolyproline II helixtrans-75.7153.8173.3-166.5-83.4000112I63 Y64 P65 I100I63-H67 HydrophobicContact CG2-CB 3.99Å; Y64-H67 WeakPolarHBondContact O-CB 3.16Å; Y64-H67 PolarHBondContact O-N 3.16Å; P65-H67 PolarHBondContact O-N 3.22Å; H67-I100 HydrophobicContact CB-CG2 4.11Å
68V91.5Very high93Very high110 Ų11065.5 Ų65.567%0.66737%0.369SS*.PPolyproline II helixtrans-61.7135.9174.3-179.90000109.8L70V68-L70 PolarHBondContact O-N 3.29Å
69P92.7Very high93.2Very high64 Ų6458.2 Ų58.242%0.41633%0.33SS..PPolyproline II helixtrans-58.2127.7176.8-2433.8000111.4I100 E102P69-I100 VanDerWaalsContact CA-O 3.29Å; P69-I100 WeakPolarHBondContact CA-O 3.49Å; P69-E102 HydrophobicContact CB-CG 4.26Å; P69-E102 HydrophobicContact CG-CB 4.3Å; P69-E102 HydrophobicContact CG-CG 3.21Å
70L92.6Very high93.3Very high65 Ų6557.7 Ų57.734%0.3432%0.319SS..EExtended strand (participates in β ladder)trans-145.9138.1-175-176.5145.6000109.6V68 L98 I100V68-L70 PolarHBondContact O-N 3.29Å; L70-L98 HydrophobicContact CD2-CD2 4.31Å; L70-I100 HydrophobicContact CB-CD1 4.2Å; L70-I100 PolarHBondContact N-O 3.25Å; L70-I100 PolarHBondContact O-N 3.01Å
71I94.4Very high93.5Very high152 Ų15249 Ų4978%0.77928%0.279SS*.EExtended strand (participates in β ladder)trans-115.7127.4167.3-61.6173.6000106.6L98 A99I71-L98 CarbonylContact C-O 3.58Å; I71-L98 VanDerWaalsContact CA-O 3.3Å; I71-L98 WeakPolarHBondContact CA-O 3.42Å; I71-A99 HydrophobicContact CG1-CB 4.5Å
72G93.8Very high93.5Very high16 Ų1648.2 Ų48.217%0.16527%0.274CS..EExtended strand (participates in β ladder)trans-140.3162-17600000112.2S97 L98G72-S97 WeakPolarHBondContact O-CA 3.49Å; G72-L98 PolarHBondContact N-O 3.35Å; G72-L98 PolarHBondContact O-N 3.32Å
73V95.8Very high93.3Very high81 Ų8147.5 Ų47.549%0.49127%0.267SS..EExtended strand (participates in β ladder)trans-102.8136.4172.9-1790000108.4T56 I57T56-V73 WeakPolarHBondContact CA-O 3.44Å; I57-V73 HydrophobicContact CD1-CB 4.45Å; I57-V73 HydrophobicContact CG2-CB 4.17Å; I57-V73 HydrophobicContact CG2-CG1 4.2Å; I57-V73 PolarHBondContact N-O 3.21Å
74L94.9Very high92.9Very high7 Ų750.7 Ų50.74%0.03729%0.286CS..EExtended strand (participates in β ladder)trans-80.3140.2179.4-56.4-176.3000110.9V54 P55 V93 G96 L98 L108V54-L74 HydrophobicContact CG1-CD2 3.1Å; V54-L74 HydrophobicContact CG1-CG 4.49Å; P55-L74 WeakPolarHBondContact O-CA 3.27Å; L74-V93 HydrophobicContact CD1-CG1 3.85Å; L74-G96 PolarHBondContact N-O 2.84Å; L74-L98 HydrophobicContact CD2-CB 3.97Å; L74-L108 HydrophobicContact CD1-CD2 3.65Å; L74-L108 HydrophobicContact CD1-CG 4.02Å
75K94.1Very high92.6Very high87 Ų8751.1 Ų51.138%0.37830%0.297SS..PPolyproline II helixtrans-94.9147.7168.5-176.4-176.8173.3112.70108.8P55 G77 E151P55-K75 PolarHBondContact O-N 3.49Å; K75-G77 PolarHBondContact O-N 3.23Å; K75-E151 WeakPolarHBondContact CE-OE1 3.28Å; K75-E151 IonicContact NZ-OE1 3.41Å; K75-E151 PolarHBondContact NZ-OE1 2.94Å
76P95.2Very high92.2Very high20 Ų2054.7 Ų54.713%0.1331%0.314CS..SBendtrans-54.4125.4172.320.4-33.9000111.4V93 S94 E151 V152 A155P76-V93 WeakPolarHBondContact CA-O 3.1Å; P76-S94 WeakPolarHBondContact CA-O 3.48Å; P76-S94 VanDerWaalsContact CB-O 3.3Å; P76-S94 WeakPolarHBondContact CB-O 3.43Å; P76-S94 WeakPolarHBondContact CD-O 3.39Å; P76-E151 HydrophobicContact CG-CG 4Å; P76-V152 HydrophobicContact CB-CG2 4.18Å; P76-V152 HydrophobicContact CG-CG2 4.18Å; P76-A155 HydrophobicContact CB-CB 3.99Å; P76-A155 WeakPolarHBondContact O-CB 3.47Å
77G94.6Very high92.4Very high11 Ų1155.7 Ų55.711%0.11332%0.316CS..EExtended strand (participates in β ladder)trans168.4-171.2-175.200000114.1K75 V93K75-G77 PolarHBondContact O-N 3.23Å; G77-V93 PolarHBondContact N-O 2.91Å; G77-V93 VanDerWaalsContact N-O 3.07Å; G77-V93 PolarHBondContact O-N 3.23Å
78V94.6Very high92.6Very high25 Ų2557.1 Ų57.115%0.15233%0.329CS..EExtended strand (participates in β ladder)trans-95.6121.3-177.3-175.90000110.6K90 F91 V116 A159V78-K90 HydrophobicContact CG1-CB 3.87Å; V78-K90 HydrophobicContact CG1-CD 4.31Å; V78-K90 HydrophobicContact CG1-CG 4.29Å; V78-F91 CarbonylContact C-O 3.59Å; V78-F91 WeakPolarHBondContact CA-O 3.4Å; V78-V116 HydrophobicContact CG1-CG2 4.36Å; V78-A159 HydrophobicContact CG2-CB 3.36Å
79V95.1Very high92.7Very high1 Ų157.3 Ų57.31%0.00632%0.321CS..EExtended strand (participates in β ladder)trans-88.6130.7167.2174.30000108.7V52 N53 V54 P55 V81 K90 F91 V93 L108V52-V79 HydrophobicContact CG1-CG1 4.35Å; N53-V79 WeakPolarHBondContact O-CA 3.3Å; V54-V79 HydrophobicContact CG1-CG2 4.46Å; V54-V79 HydrophobicContact CG2-CG1 4.49Å; P55-V79 HydrophobicContact CG-CG2 4.49Å; V79-V81 HydrophobicContact CG1-CG2 4.17Å; V79-K90 WeakPolarHBondContact O-CA 3.44Å; V79-F91 PolarHBondContact N-O 3.5Å; V79-F91 PolarHBondContact O-N 3.42Å; V79-V93 HydrophobicContact CB-CG2 4.26Å; V79-V93 HydrophobicContact CG2-CB 4.23Å; V79-V93 HydrophobicContact CG2-CG2 3.6Å; V79-L108 HydrophobicContact CG1-CD1 3.88Å; V79-L108 HydrophobicContact CG2-CD1 4.15Å
80T94.7Very high92.8Very high28 Ų2858.1 Ų58.117%0.17232%0.318CS..EExtended strand (participates in β ladder)trans-113.3124.4177.1-540000109.8N53 V88 K90N53-T80 PolarHBondContact N-O 3.47Å; N53-T80 PolarHBondContact O-N 3.34Å; T80-V88 HydrophobicContact CG2-CG1 3.32Å; T80-K90 HydrophobicContact CG2-CG 4.44Å
81V95.1Very high92.9Very high1 Ų155.5 Ų55.51%0.00630%0.303CS..EExtended strand (participates in β ladder)trans-113.2121.5179.7-175.60000108.6L34 Y44 V49 V52 V79 K89 F91L34-V81 HydrophobicContact CD2-CG1 3.74Å; L34-V81 HydrophobicContact CD2-CG2 4.11Å; Y44-V81 HydrophobicContact CE1-CG1 4.16Å; Y44-V81 HydrophobicContact CE2-CB 4.4Å; Y44-V81 HydrophobicContact CE2-CG1 4.13Å; Y44-V81 HydrophobicContact CE2-CG2 4.23Å; V49-V81 HydrophobicContact CB-CG1 4.49Å; V49-V81 HydrophobicContact CG1-CG1 3.53Å; V49-V81 HydrophobicContact CG2-CG1 4.06Å; V52-V81 HydrophobicContact CG1-CG2 4.45Å; V79-V81 HydrophobicContact CG1-CG2 4.17Å; V81-K89 PolarHBondContact N-O 3.09Å; V81-K89 PolarHBondContact O-N 2.92Å; V81-F91 HydrophobicContact CB-CE2 4.35Å; V81-F91 HydrophobicContact CG2-CD2 4.09Å; V81-F91 HydrophobicContact CG2-CE2 4.02Å
82T94.4Very high92.9Very high14 Ų1448.8 Ų48.89%0.08627%0.269CS..EExtended strand (participates in β ladder)trans-104.5108.6177.8-52.50000109.9V49 Q50 Q51 V88V49-T82 WeakPolarHBondContact CG1-O 3.48Å; Q50-T82 PolarHBondContact N-O 3.45Å; Q51-T82 PolarHBondContact N-O 3.28Å; Q51-T82 PolarHBondContact O-N 3.41Å; T82-V88 HydrophobicContact CG2-CG2 4.35Å
83G91Very high93Very high18 Ų1848.1 Ų48.119%0.18626%0.261CS..EExtended strand (participates in β ladder)trans-67.5173.7178.200000113.6D85 N86 D87G83-D85 PolarHBondContact O-N 2.95Å; G83-N86 PolarHBondContact O-N 2.91Å; G83-N86 VanDerWaalsContact O-N 3.13Å; G83-D87 PolarHBondContact N-O 3.31Å
84V85Confident92.8Very high69 Ų6945.2 Ų45.242%0.41825%0.245SC..THydrogen-bonded Turntrans-61.7-31.9-179.3-176.90000112.3K31 D48 N86K31-V84 HydrophobicContact CD-CG2 4.3Å; D48-V84 HydrophobicContact CB-CG2 4.32Å; D48-V84 WeakPolarHBondContact O-CG2 3.49Å; V84-N86 PolarHBondContact O-N 3.19Å
85D86.3Confident92.7Very high128 Ų12847 Ų4768%0.68426%0.258SS*.THydrogen-bonded Turntrans-84.910.7180-60.5-52.1000113.4G83 D87G83-D85 PolarHBondContact O-N 2.95Å; D85-D87 PolarHBondContact O-N 2.97Å
86N84.3Confident92.8Very high111 Ų11143.8 Ų43.859%0.59425%0.249SC*.SBendtrans65.916.9-169.5-51.7-87.8000114.4G83 V84 V88G83-N86 PolarHBondContact O-N 2.91Å; G83-N86 VanDerWaalsContact O-N 3.13Å; V84-N86 PolarHBondContact O-N 3.19Å; N86-V88 PolarHBondContact O-N 3.17Å
87D91.4Very high92.8Very high102 Ų10245.5 Ų45.555%0.54526%0.262SS..  trans-70.2119.1172.3-71.9-26.3000110.3G83 D85G83-D87 PolarHBondContact N-O 3.31Å; D85-D87 PolarHBondContact O-N 2.97Å
88V93Very high92.8Very high89 Ų8945 Ų4554%0.53926%0.256SS..EExtended strand (participates in β ladder)trans-97.5117.7-179.1-1780000109.6T80 T82 N86T80-V88 HydrophobicContact CG2-CG1 3.32Å; T82-V88 HydrophobicContact CG2-CG2 4.35Å; N86-V88 PolarHBondContact O-N 3.17Å
89K93.5Very high92.8Very high115 Ų11544.9 Ų44.950%0.526%0.258SS..EExtended strand (participates in β ladder)trans-112.4132.7173-60.7-168.4-165166.40110.3Y44 V81 F91Y44-K89 WeakPolarHBondContact OH-CD 3.27Å; V81-K89 PolarHBondContact N-O 3.09Å; V81-K89 PolarHBondContact O-N 2.92Å; K89-F91 HydrophobicContact CB-CE2 3.63Å; K89-F91 HydrophobicContact CB-CZ 3.92Å; K89-F91 HydrophobicContact CD-CZ 4.34Å
90K94.4Very high92.8Very high80 Ų8045.1 Ų45.135%0.34826%0.259SS..EExtended strand (participates in β ladder)trans-107.3136.9178.4-60.9-175.9-177.5-174.40110.4V78 V79 T80 V116 E162V78-K90 HydrophobicContact CG1-CB 3.87Å; V78-K90 HydrophobicContact CG1-CD 4.31Å; V78-K90 HydrophobicContact CG1-CG 4.29Å; V79-K90 WeakPolarHBondContact O-CA 3.44Å; T80-K90 HydrophobicContact CG2-CG 4.44Å; K90-V116 HydrophobicContact CB-CB 4.31Å; K90-V116 HydrophobicContact CB-CG2 3.54Å; K90-E162 PolarHBondContact NZ-O 2.88Å
91F94.7Very high92.7Very high10 Ų1046.1 Ų46.14%0.04426%0.264CS..EExtended strand (participates in β ladder)trans-131.6134.9177.6-58.1-86.7000109.1F36 F43 Y44 V78 V79 V81 K89 C114 T115F36-F91 HydrophobicContact CD1-CD2 4.45Å; F36-F91 HydrophobicContact CE1-CB 3.86Å; F36-F91 AromaticContact CE1-CD1 3.96Å; F36-F91 HydrophobicContact CE1-CD1 3.96Å; F36-F91 AromaticContact CE1-CD2 3.93Å; F36-F91 HydrophobicContact CE1-CD2 3.93Å; F36-F91 HydrophobicContact CE1-CE2 4.48Å; F36-F91 AromaticContact CE1-CG 3.64Å; F36-F91 HydrophobicContact CE1-CG 3.64Å; F36-F91 HydrophobicContact CZ-CB 4.17Å; F36-F91 HydrophobicContact CZ-CG 4.42Å; F43-F91 AromaticContact CD1-CD1 3.85Å; F43-F91 HydrophobicContact CD1-CD1 3.85Å; F43-F91 AromaticContact CD1-CE1 3.47Å; F43-F91 HydrophobicContact CD1-CE1 3.47Å; F43-F91 VanDerWaalsContact CD1-CE1 3.47Å; F43-F91 HydrophobicContact CD1-CZ 4.37Å; F43-F91 AromaticContact CE1-CD1 3.95Å; F43-F91 HydrophobicContact CE1-CD1 3.95Å; F43-F91 AromaticContact CE1-CE1 3.91Å; F43-F91 HydrophobicContact CE1-CE1 3.91Å; F43-F91 HydrophobicContact CG-CD1 4.42Å; F43-F91 HydrophobicContact CG-CE1 4.17Å; Y44-F91 AromaticContact CE2-CE2 3.66Å; Y44-F91 HydrophobicContact CE2-CE2 3.66Å; Y44-F91 AromaticContact CE2-CZ 3.71Å; Y44-F91 HydrophobicContact CE2-CZ 3.71Å; V78-F91 CarbonylContact C-O 3.59Å; V78-F91 WeakPolarHBondContact CA-O 3.4Å; V79-F91 PolarHBondContact N-O 3.5Å; V79-F91 PolarHBondContact O-N 3.42Å; V81-F91 HydrophobicContact CB-CE2 4.35Å; V81-F91 HydrophobicContact CG2-CD2 4.09Å; V81-F91 HydrophobicContact CG2-CE2 4.02Å; K89-F91 HydrophobicContact CB-CE2 3.63Å; K89-F91 HydrophobicContact CB-CZ 3.92Å; K89-F91 HydrophobicContact CD-CZ 4.34Å; F91-C114 CarbonylContact C-O 3.46Å; F91-C114 WeakPolarHBondContact CA-O 3.29Å; F91-T115 HydrophobicContact CD1-CG2 3.93Å; F91-T115 HydrophobicContact CE1-CG2 3.75Å
92F95.4Very high92.3Very high12 Ų1250 Ų505%0.05328%0.281CS..EExtended strand (participates in β ladder)trans-83.7135.3167.8-177.9-94.6000109.3A113 C114 L119 A155 L156 A159F92-A113 CarbonylContact O-C 3.57Å; F92-A113 WeakPolarHBondContact O-CA 3.09Å; F92-C114 PolarHBondContact N-O 3.13Å; F92-C114 PolarHBondContact O-N 2.91Å; F92-L119 HydrophobicContact CB-CD1 3.98Å; F92-L119 HydrophobicContact CG-CD1 4.39Å; F92-A155 HydrophobicContact CE2-CB 4.16Å; F92-A155 HydrophobicContact CZ-CB 4.44Å; F92-L156 HydrophobicContact CD1-CD2 3.6Å; F92-L156 HydrophobicContact CD2-CD2 4.05Å; F92-L156 HydrophobicContact CE1-CD2 3.3Å; F92-L156 HydrophobicContact CE1-CG 3.81Å; F92-L156 HydrophobicContact CE2-CD2 3.78Å; F92-L156 HydrophobicContact CE2-CG 4Å; F92-L156 HydrophobicContact CG-CD2 3.97Å; F92-L156 HydrophobicContact CZ-CB 4.44Å; F92-L156 HydrophobicContact CZ-CD2 3.4Å; F92-L156 HydrophobicContact CZ-CG 3.49Å; F92-L156 VanDerWaalsContact CZ-CG 3.49Å; F92-A159 HydrophobicContact CD2-CB 3.64Å; F92-A159 HydrophobicContact CE2-CB 4.18Å
93V94.8Very high91.9Very high1 Ų154.6 Ų54.61%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-124.9133.7177.4174.40000108.8F36 L74 P76 G77 V79 L108 A110 A113F36-V93 HydrophobicContact CE2-CG2 4.2Å; F36-V93 HydrophobicContact CZ-CG2 3.95Å; L74-V93 HydrophobicContact CD1-CG1 3.85Å; P76-V93 WeakPolarHBondContact CA-O 3.1Å; G77-V93 PolarHBondContact N-O 2.91Å; G77-V93 VanDerWaalsContact N-O 3.07Å; G77-V93 PolarHBondContact O-N 3.23Å; V79-V93 HydrophobicContact CB-CG2 4.26Å; V79-V93 HydrophobicContact CG2-CB 4.23Å; V79-V93 HydrophobicContact CG2-CG2 3.6Å; V93-L108 HydrophobicContact CG2-CD2 4.5Å; V93-A110 HydrophobicContact CG1-CB 3.59Å; V93-A110 HydrophobicContact CG2-CB 4.34Å; V93-A113 HydrophobicContact CG2-CB 4.14Å
94S92.8Very high91.8Very high20 Ų2054.2 Ų54.214%0.1430%0.3CS..  trans-78.8-61.8177.659.50000112P76 E112P76-S94 WeakPolarHBondContact CA-O 3.48Å; P76-S94 VanDerWaalsContact CB-O 3.3Å; P76-S94 WeakPolarHBondContact CB-O 3.43Å; P76-S94 WeakPolarHBondContact CD-O 3.39Å; S94-E112 PolarHBondContact N-O 2.82Å; S94-E112 WeakPolarHBondContact OG-CB 3.27Å; S94-E112 PolarHBondContact OG-N 2.88Å; S94-E112 PolarHBondContact OG-O 2.96Å
95S93.2Very high92.1Very high46 Ų4651.9 Ų51.932%0.32229%0.287SS..SBendtrans-152.4164.5179.584.70000109.1A110 E111S95-A110 CarbonylContact O-C 3.59Å; S95-A110 VanDerWaalsContact O-CA 3.27Å; S95-A110 WeakPolarHBondContact O-CA 3.5Å; S95-E111 PolarHBondContact O-N 2.94Å; S95-E111 PolarHBondContact OG-OE2 3.28Å
96G94.6Very high92.5Very high19 Ų1945.9 Ų45.920%0.19626%0.255CS..EExtended strand (participates in β ladder)trans164.9-165.217800000114.6L74 L109L74-G96 PolarHBondContact N-O 2.84Å; G96-L109 CarbonylContact C-O 3.53Å; G96-L109 WeakPolarHBondContact CA-O 3.47Å
97S95.4Very high93.1Very high55 Ų5544.7 Ų44.739%0.38525%0.246SC..EExtended strand (participates in β ladder)trans-127.2148.3177.761.50000111.5G72 L109G72-S97 WeakPolarHBondContact O-CA 3.49Å; S97-L109 PolarHBondContact N-O 3.35Å; S97-L109 PolarHBondContact O-N 2.94Å
98L95.3Very high93.3Very high0 Ų039.8 Ų39.80%022%0.22CC..EExtended strand (participates in β ladder)trans-119.1130.8173.717567.1000108.4V54 T56 I63 L70 I71 G72 L74 I100 V106 Q107V54-L98 HydrophobicContact CB-CD2 4.45Å; V54-L98 HydrophobicContact CG1-CD2 4.28Å; T56-L98 HydrophobicContact CG2-CD2 4.43Å; I63-L98 HydrophobicContact CD1-CD1 3.84Å; I63-L98 HydrophobicContact CD1-CD2 3.95Å; I63-L98 HydrophobicContact CD1-CG 4.47Å; L70-L98 HydrophobicContact CD2-CD2 4.31Å; I71-L98 CarbonylContact C-O 3.58Å; I71-L98 VanDerWaalsContact CA-O 3.3Å; I71-L98 WeakPolarHBondContact CA-O 3.42Å; G72-L98 PolarHBondContact N-O 3.35Å; G72-L98 PolarHBondContact O-N 3.32Å; L74-L98 HydrophobicContact CD2-CB 3.97Å; L98-I100 HydrophobicContact CD1-CG1 4.34Å; L98-I100 HydrophobicContact CD2-CD1 4.33Å; L98-I100 HydrophobicContact CD2-CG1 4.44Å; L98-I100 HydrophobicContact CG-CG1 4.24Å; L98-V106 HydrophobicContact CD1-CG1 3.79Å; L98-Q107 WeakPolarHBondContact CA-O 3.29Å
99A95.2Very high93.4Very high23 Ų2339.3 Ų39.319%0.1921%0.214CC..EExtended strand (participates in β ladder)trans-129.5122.5169.700000110.2I71 V106 Q107I71-A99 HydrophobicContact CG1-CB 4.5Å; A99-V106 WeakPolarHBondContact O-CA 3.38Å; A99-Q107 HydrophobicContact CB-CB 4.39Å; A99-Q107 PolarHBondContact N-O 2.88Å; A99-Q107 PolarHBondContact O-N 2.81Å
100I94.1Very high93.5Very high6 Ų634.3 Ų34.33%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-108.8123.1174.7-52.7178.3000107.2I63 H67 P69 L70 L98 V106I63-I100 HydrophobicContact CD1-CD1 3.65Å; I63-I100 HydrophobicContact CD1-CG1 4.11Å; I63-I100 HydrophobicContact CG1-CD1 3.75Å; I63-I100 HydrophobicContact CG2-CD1 3.96Å; H67-I100 HydrophobicContact CB-CG2 4.11Å; P69-I100 VanDerWaalsContact CA-O 3.29Å; P69-I100 WeakPolarHBondContact CA-O 3.49Å; L70-I100 HydrophobicContact CB-CD1 4.2Å; L70-I100 PolarHBondContact N-O 3.25Å; L70-I100 PolarHBondContact O-N 3.01Å; L98-I100 HydrophobicContact CD1-CG1 4.34Å; L98-I100 HydrophobicContact CD2-CD1 4.33Å; L98-I100 HydrophobicContact CD2-CG1 4.44Å; L98-I100 HydrophobicContact CG-CG1 4.24Å; I100-V106 HydrophobicContact CG1-CG2 4.33Å; I100-V106 HydrophobicContact CG2-CG2 4.27Å
101N92Very high93.5Very high49 Ų4936.3 Ų36.326%0.26220%0.204SC..  trans-101.9161.6-178.9-64-57000111.4D103 S104 S105N101-D103 WeakPolarHBondContact CB-OD1 3.43Å; N101-D103 PolarHBondContact O-N 3.13Å; N101-S104 PolarHBondContact O-N 3.36Å; N101-S105 WeakPolarHBondContact CB-OG 3.23Å; N101-S105 PolarHBondContact N-O 3.07Å; N101-S105 PolarHBondContact ND2-OG 3.37Å
102E87.1Confident93.4Very high82 Ų8242 Ų4238%0.38323%0.231SC..THydrogen-bonded Turntrans-63.5-22.4178-68.9176.3-178.300113.3F23 P69 S104F23-E102 WeakPolarHBondContact CD1-OE1 3.44Å; F23-E102 WeakPolarHBondContact CE1-OE1 3.43Å; P69-E102 HydrophobicContact CB-CG 4.26Å; P69-E102 HydrophobicContact CG-CB 4.3Å; P69-E102 HydrophobicContact CG-CG 3.21Å; E102-S104 PolarHBondContact O-N 2.88Å
103D87.5Confident93.4Very high111 Ų11141.9 Ų41.959%0.59423%0.232SC*.THydrogen-bonded Turntrans-84.214.1179.466.4-8.9000113.4N101 S105N101-D103 WeakPolarHBondContact CB-OD1 3.43Å; N101-D103 PolarHBondContact O-N 3.13Å; D103-S105 PolarHBondContact O-N 3.39Å; D103-S105 VanDerWaalsContact OD1-CB 3.22Å; D103-S105 WeakPolarHBondContact OD1-CB 3.46Å; D103-S105 PolarHBondContact OD1-N 3.41Å; D103-S105 PolarHBondContact OD1-OG 2.9Å; D103-S105 PolarHBondContact OD2-OG 2.86Å
104S87.7Confident93.3Very high10 Ų1044.1 Ų44.17%0.0725%0.248CC..SBendtrans60.217.6-173.1-57.60000114.5C33 T66 N101 E102C33-S104 PolarHBondContact N-O 2.91Å; C33-S104 VanDerWaalsContact N-O 3.08Å; T66-S104 PolarHBondContact N-OG 2.77Å; T66-S104 VanDerWaalsContact N-OG 3.15Å; N101-S104 PolarHBondContact O-N 3.36Å; E102-S104 PolarHBondContact O-N 2.88Å
105S92Very high93.2Very high21 Ų2144.7 Ų44.715%0.14725%0.25CS..EExtended strand (participates in β ladder)trans-82.4135.4167.271.30000110.9C33 N101 D103C33-S105 WeakPolarHBondContact O-CA 3.48Å; N101-S105 WeakPolarHBondContact CB-OG 3.23Å; N101-S105 PolarHBondContact N-O 3.07Å; N101-S105 PolarHBondContact ND2-OG 3.37Å; D103-S105 PolarHBondContact O-N 3.39Å; D103-S105 VanDerWaalsContact OD1-CB 3.22Å; D103-S105 WeakPolarHBondContact OD1-CB 3.46Å; D103-S105 PolarHBondContact OD1-N 3.41Å; D103-S105 PolarHBondContact OD1-OG 2.9Å; D103-S105 PolarHBondContact OD2-OG 2.86Å
106V94.9Very high93.1Very high2 Ų243.2 Ų43.21%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-122.4127.2179175.80000108.8I32 C33 L34 T35 I63 L98 A99 I100I32-V106 HydrophobicContact CG2-CB 3.77Å; I32-V106 HydrophobicContact CG2-CG2 3.39Å; C33-V106 PolarHBondContact O-N 3.02Å; L34-V106 HydrophobicContact CD1-CB 4.14Å; L34-V106 HydrophobicContact CD1-CG1 3.88Å; T35-V106 PolarHBondContact N-O 3.37Å; I63-V106 HydrophobicContact CD1-CG1 4.03Å; I63-V106 HydrophobicContact CG2-CG2 3.93Å; L98-V106 HydrophobicContact CD1-CG1 3.79Å; A99-V106 WeakPolarHBondContact O-CA 3.38Å; I100-V106 HydrophobicContact CG1-CG2 4.33Å; I100-V106 HydrophobicContact CG2-CG2 4.27Å
107Q95.4Very high92.8Very high85 Ų8551.2 Ų51.240%0.39727%0.272SS..EExtended strand (participates in β ladder)trans-114115.2176.3-60.3178.715.300108.5T35 L98 A99T35-Q107 WeakPolarHBondContact O-CA 3.45Å; L98-Q107 WeakPolarHBondContact CA-O 3.29Å; A99-Q107 HydrophobicContact CB-CB 4.39Å; A99-Q107 PolarHBondContact N-O 2.88Å; A99-Q107 PolarHBondContact O-N 2.81Å
108L95.9Very high92.5Very high0 Ų054.3 Ų54.30%028%0.28CS..EExtended strand (participates in β ladder)trans-112.3111.6173.6-159.8155.5000107.3T35 F36 A37 V52 V54 L74 V79 V93T35-L108 PolarHBondContact O-N 3.01Å; F36-L108 WeakPolarHBondContact CA-O 3.38Å; F36-L108 HydrophobicContact CB-CB 4.45Å; F36-L108 HydrophobicContact CD2-CB 4.01Å; F36-L108 HydrophobicContact CD2-CD2 3.31Å; F36-L108 HydrophobicContact CD2-CG 4.19Å; F36-L108 WeakPolarHBondContact CD2-O 3.03Å; F36-L108 HydrophobicContact CE2-CD2 3.29Å; F36-L108 HydrophobicContact CG-CD2 4.33Å; F36-L108 HydrophobicContact CZ-CD2 4.28Å; A37-L108 PolarHBondContact N-O 3.5Å; A37-L108 VanDerWaalsContact N-O 3.1Å; V52-L108 HydrophobicContact CG1-CD1 4.45Å; V54-L108 HydrophobicContact CB-CD1 4.5Å; V54-L108 HydrophobicContact CG1-CD1 4.05Å; V54-L108 HydrophobicContact CG2-CD1 3.58Å; L74-L108 HydrophobicContact CD1-CD2 3.65Å; L74-L108 HydrophobicContact CD1-CG 4.02Å; V79-L108 HydrophobicContact CG1-CD1 3.88Å; V79-L108 HydrophobicContact CG2-CD1 4.15Å; V93-L108 HydrophobicContact CG2-CD2 4.5Å
109L96.1Very high92.2Very high79 Ų7956.1 Ų56.141%0.41429%0.289SS..EExtended strand (participates in β ladder)trans-118.3111.3-177.5-61.8178.4000108.5A37 G96 S97A37-L109 HydrophobicContact CB-CD2 4.14Å; A37-L109 WeakPolarHBondContact O-CA 3.22Å; G96-L109 CarbonylContact C-O 3.53Å; G96-L109 WeakPolarHBondContact CA-O 3.47Å; S97-L109 PolarHBondContact N-O 3.35Å; S97-L109 PolarHBondContact O-N 2.94Å
110A95.2Very high92Very high9 Ų958.3 Ų58.37%0.07430%0.298CS..EExtended strand (participates in β ladder)trans-101.6151.1178.500000111.2F36 A37 S38 V93 S95 A113F36-A110 HydrophobicContact CE2-CB 4.17Å; A37-A110 PolarHBondContact O-N 3.06Å; S38-A110 VanDerWaalsContact CA-O 3.29Å; S38-A110 WeakPolarHBondContact CA-O 3.48Å; V93-A110 HydrophobicContact CG1-CB 3.59Å; V93-A110 HydrophobicContact CG2-CB 4.34Å; S95-A110 CarbonylContact O-C 3.59Å; S95-A110 VanDerWaalsContact O-CA 3.27Å; S95-A110 WeakPolarHBondContact O-CA 3.5Å; A110-A113 HydrophobicContact CB-CB 4.07Å
111E94Very high91.9Very high123 Ų12361.1 Ų61.158%0.57531%0.313SS*.SBendtrans-70.6-53.4168.5-175168.6-165.600110S39 S95S39-E111 WeakPolarHBondContact CB-O 3.32Å; S39-E111 PolarHBondContact N-O 3.49Å; S39-E111 PolarHBondContact OG-O 3.42Å; S95-E111 PolarHBondContact O-N 2.94Å; S95-E111 PolarHBondContact OG-OE2 3.28Å
112E93.6Very high91.9Very high129 Ų12965.2 Ų65.260%0.60333%0.33SS*.SBendtrans-127.8139.7171.7-57.2-171.7152.900110.3S94S94-E112 PolarHBondContact N-O 2.82Å; S94-E112 WeakPolarHBondContact OG-CB 3.27Å; S94-E112 PolarHBondContact OG-N 2.88Å; S94-E112 PolarHBondContact OG-O 2.96Å
113A93.9Very high92.2Very high10 Ų1066.9 Ų66.98%0.08334%0.338CS..EExtended strand (participates in β ladder)trans-146.4141.6171.300000110.9F36 F43 F92 V93 A110F36-A113 HydrophobicContact CE2-CB 4.16Å; F36-A113 HydrophobicContact CZ-CB 3.65Å; F43-A113 HydrophobicContact CE2-CB 3.72Å; F43-A113 HydrophobicContact CZ-CB 4.19Å; F43-A113 WeakPolarHBondContact CZ-O 3.43Å; F92-A113 CarbonylContact O-C 3.57Å; F92-A113 WeakPolarHBondContact O-CA 3.09Å; V93-A113 HydrophobicContact CG2-CB 4.14Å; A110-A113 HydrophobicContact CB-CB 4.07Å
114C92.4Very high92.4Very high48 Ų4862 Ų6232%0.32431%0.313SS..EExtended strand (participates in β ladder)trans-132153.5-179.2-65.40000109.8F91 F92 L119F91-C114 CarbonylContact C-O 3.46Å; F91-C114 WeakPolarHBondContact CA-O 3.29Å; F92-C114 PolarHBondContact N-O 3.13Å; F92-C114 PolarHBondContact O-N 2.91Å; C114-L119 HydrophobicContact CB-CD2 4.38Å
115T92.6Very high92.7Very high31 Ų3166 Ų6619%0.1933%0.33CS..EExtended strand (participates in β ladder)trans-72.6150.1166.651.90000109.1F43 F91 E117 E118F43-T115 HydrophobicContact CE1-CG2 4.4Å; F91-T115 HydrophobicContact CD1-CG2 3.93Å; F91-T115 HydrophobicContact CE1-CG2 3.75Å; T115-E117 PolarHBondContact O-N 3.27Å; T115-E118 PolarHBondContact O-N 3.24Å; T115-E118 VanDerWaalsContact O-N 3.08Å; T115-E118 VanDerWaalsContact OG1-CG 3.23Å; T115-E118 WeakPolarHBondContact OG1-CG 3.34Å; T115-E118 PolarHBondContact OG1-OE2 2.84Å
116V89.5Confident92.8Very high15 Ų1569 Ų699%0.09134%0.344CS..G310 helixtrans-63.3-26.3-178.7175.20000112.2V78 K90 E118 L119 A163V78-V116 HydrophobicContact CG1-CG2 4.36Å; K90-V116 HydrophobicContact CB-CB 4.31Å; K90-V116 HydrophobicContact CB-CG2 3.54Å; V116-E118 VanDerWaalsContact C-N 3.29Å; V116-E118 PolarHBondContact O-N 3.33Å; V116-L119 PolarHBondContact O-N 2.97Å; V116-A163 HydrophobicContact CG1-CB 3.15Å
117E88.5Confident92.7Very high188 Ų18869.2 Ų69.288%0.87935%0.346SS*.G310 helixtrans-69.1-22.6175.9-60.2176-178.300113.9T115 L119T115-E117 PolarHBondContact O-N 3.27Å; E117-L119 VanDerWaalsContact C-N 3.3Å
118E88.9Confident92.5Very high120 Ų12066.3 Ų66.356%0.56133%0.334SS*.G310 helixtrans-84.9-5.9-179.9-72170177.500112.3T115 V116T115-E118 PolarHBondContact O-N 3.24Å; T115-E118 VanDerWaalsContact O-N 3.08Å; T115-E118 VanDerWaalsContact OG1-CG 3.23Å; T115-E118 WeakPolarHBondContact OG1-CG 3.34Å; T115-E118 PolarHBondContact OG1-OE2 2.84Å; V116-E118 VanDerWaalsContact C-N 3.29Å; V116-E118 PolarHBondContact O-N 3.33Å
119L89.4Confident92.4Very high37 Ų3772.4 Ų72.419%0.19436%0.362CS..  trans-84.5125.7-176.8-60.9177.6000112F92 C114 V116 E117 L156 A159 C160F92-L119 HydrophobicContact CB-CD1 3.98Å; F92-L119 HydrophobicContact CG-CD1 4.39Å; C114-L119 HydrophobicContact CB-CD2 4.38Å; V116-L119 PolarHBondContact O-N 2.97Å; E117-L119 VanDerWaalsContact C-N 3.3Å; L119-L156 HydrophobicContact CD2-CD2 3.98Å; L119-A159 HydrophobicContact CD1-CB 4.21Å; L119-C160 VanDerWaalsContact CB-SG 3.59Å
120D91.8Very high92.2Very high70 Ų7075 Ų7537%0.37437%0.37SS..  trans-94.8117.8171.8177.832000111.1Q122 Q123 C124D120-Q122 VanDerWaalsContact C-N 3.27Å; D120-Q122 PolarHBondContact O-N 3.13Å; D120-Q122 PolarHBondContact OD1-N 3.47Å; D120-Q123 HydrophobicContact CB-CB 4.28Å; D120-Q123 HydrophobicContact CB-CG 4.19Å; D120-Q123 PolarHBondContact O-N 3.19Å; D120-Q123 VanDerWaalsContact OD2-CG 3.27Å; D120-Q123 WeakPolarHBondContact OD2-CG 3.4Å; D120-Q123 PolarHBondContact OD2-N 3.39Å; D120-Q123 VanDerWaalsContact OD2-N 3.15Å; D120-Q123 PolarHBondContact OD2-NE2 3.17Å; D120-C124 PolarHBondContact O-N 2.59Å; D120-C124 VanDerWaalsContact O-N 3.13Å; D120-C124 PolarHBondContact O-SG 3.1Å
121L91.8Very high92Very high65 Ų6574.7 Ų74.734%0.3437%0.367SS..Hα-helixtrans-53.6-43.4175.7-82.9165.3000112.2C124 E125 C160L121-C124 PolarHBondContact O-N 2.96Å; L121-E125 WeakPolarHBondContact O-CG 3.42Å; L121-E125 PolarHBondContact O-N 2.84Å; L121-C160 HydrophobicContact CD2-CB 3.1Å; L121-C160 HydrophobicContact CG-CB 3.66Å
122Q92.7Very high91.8Very high134 Ų13474.3 Ų74.363%0.62636%0.364SS*.Hα-helixtrans-67-43-175.5-62.3-174.7-10.100111.5D120 C124 E125 L126D120-Q122 VanDerWaalsContact C-N 3.27Å; D120-Q122 PolarHBondContact O-N 3.13Å; D120-Q122 PolarHBondContact OD1-N 3.47Å; Q122-C124 VanDerWaalsContact C-N 3.32Å; Q122-C124 PolarHBondContact O-N 2.89Å; Q122-E125 PolarHBondContact O-N 2.91Å; Q122-L126 WeakPolarHBondContact O-CB 3.38Å; Q122-L126 VanDerWaalsContact O-CG 3.23Å; Q122-L126 WeakPolarHBondContact O-CG 3.31Å; Q122-L126 PolarHBondContact O-N 2.81Å
123Q91.7Very high91.5Very high117 Ų11772.4 Ų72.455%0.54737%0.365SS..Hα-helixtrans-62.7-39.4174.3-69.9-29.7-72.900112.3D120 L126 G127D120-Q123 HydrophobicContact CB-CB 4.28Å; D120-Q123 HydrophobicContact CB-CG 4.19Å; D120-Q123 PolarHBondContact O-N 3.19Å; D120-Q123 VanDerWaalsContact OD2-CG 3.27Å; D120-Q123 WeakPolarHBondContact OD2-CG 3.4Å; D120-Q123 PolarHBondContact OD2-N 3.39Å; D120-Q123 VanDerWaalsContact OD2-N 3.15Å; D120-Q123 PolarHBondContact OD2-NE2 3.17Å; Q123-L126 PolarHBondContact O-N 3.35Å; Q123-G127 PolarHBondContact O-N 2.96Å
124C92.1Very high91Very high10 Ų1077.2 Ų77.27%0.06839%0.386CS..Hα-helixtrans-64.8-44.2-179.6-64.50000111.7D120 L121 Q122 G127 L128 L156 V157 C160D120-C124 PolarHBondContact O-N 2.59Å; D120-C124 VanDerWaalsContact O-N 3.13Å; D120-C124 PolarHBondContact O-SG 3.1Å; L121-C124 PolarHBondContact O-N 2.96Å; Q122-C124 VanDerWaalsContact C-N 3.32Å; Q122-C124 PolarHBondContact O-N 2.89Å; C124-G127 PolarHBondContact O-N 3.02Å; C124-L128 WeakPolarHBondContact O-CB 3.41Å; C124-L128 PolarHBondContact O-N 3.34Å; C124-L156 HydrophobicContact CB-CB 4.29Å; C124-V157 HydrophobicContact CB-CG2 3.94Å; C124-C160 VanDerWaalsContact SG-SG 3.69Å
125E93.7Very high89.8Confident94 Ų9478.8 Ų78.844%0.43939%0.394SS..Hα-helixtrans-65.1-44.3176.8-70.9-179.8160.100112.1L121 Q122 G127 L128 E129 V157L121-E125 WeakPolarHBondContact O-CG 3.42Å; L121-E125 PolarHBondContact O-N 2.84Å; Q122-E125 PolarHBondContact O-N 2.91Å; E125-G127 VanDerWaalsContact C-N 3.28Å; E125-G127 PolarHBondContact O-N 3.18Å; E125-L128 WeakPolarHBondContact O-CB 3.44Å; E125-L128 PolarHBondContact O-N 2.8Å; E125-E129 WeakPolarHBondContact O-CG 3.4Å; E125-E129 PolarHBondContact O-N 3.12Å; E125-V157 HydrophobicContact CG-CG2 4.38Å
126L94.6Very high88.3Confident83 Ų8381.8 Ų81.844%0.43542%0.422SS..Hα-helixtrans-61.3-37.4175.6-70.9172.8000112.1Q122 Q123 K130Q122-L126 WeakPolarHBondContact O-CB 3.38Å; Q122-L126 VanDerWaalsContact O-CG 3.23Å; Q122-L126 WeakPolarHBondContact O-CG 3.31Å; Q122-L126 PolarHBondContact O-N 2.81Å; Q123-L126 PolarHBondContact O-N 3.35Å; L126-K130 VanDerWaalsContact O-CG 3.27Å; L126-K130 WeakPolarHBondContact O-CG 3.37Å; L126-K130 PolarHBondContact O-N 3.42Å; L126-K130 VanDerWaalsContact O-N 3.17Å
127G92.7Very high87Confident6 Ų685.7 Ų85.76%0.06246%0.455CS..Hα-helixtrans-65.7-43.3174.300000112.5Q123 C124 E125 K130 A131Q123-G127 PolarHBondContact O-N 2.96Å; C124-G127 PolarHBondContact O-N 3.02Å; E125-G127 VanDerWaalsContact C-N 3.28Å; E125-G127 PolarHBondContact O-N 3.18Å; G127-K130 PolarHBondContact O-N 2.8Å; G127-A131 PolarHBondContact O-N 3.17Å
128L92.6Very high86.3Confident25 Ų2578.7 Ų78.713%0.13143%0.434CS..Hα-helixtrans-62.2-43176.4-179.1153.7000112C124 E125 A131 K132 E154 V157C124-L128 WeakPolarHBondContact O-CB 3.41Å; C124-L128 PolarHBondContact O-N 3.34Å; E125-L128 WeakPolarHBondContact O-CB 3.44Å; E125-L128 PolarHBondContact O-N 2.8Å; L128-A131 PolarHBondContact O-N 3.12Å; L128-K132 HydrophobicContact CD2-CD 3.67Å; L128-K132 HydrophobicContact CD2-CG 4.36Å; L128-K132 VanDerWaalsContact CD2-NZ 3.34Å; L128-K132 WeakPolarHBondContact O-CB 3.45Å; L128-K132 WeakPolarHBondContact O-CG 3.35Å; L128-K132 PolarHBondContact O-N 3.15Å; L128-E154 HydrophobicContact CD1-CG 4.13Å; L128-V157 HydrophobicContact CB-CG2 4.49Å; L128-V157 HydrophobicContact CD1-CB 4.4Å; L128-V157 HydrophobicContact CD1-CG2 3.85Å
129E93.5Very high86.1Confident127 Ų12779.6 Ų79.659%0.59344%0.443SS*.Hα-helixtrans-63.2-41.7176.1-72.4-172.516100112.3E125 K132 S133E125-E129 WeakPolarHBondContact O-CG 3.4Å; E125-E129 PolarHBondContact O-N 3.12Å; E129-K132 PolarHBondContact O-N 3.47Å; E129-S133 PolarHBondContact O-N 3.5Å
130K91.9Very high86.1Confident133 Ų13386 Ų8658%0.57847%0.472SS*.Hα-helixtrans-60.2-51.5175.2-73170.1-175.7175.50111.3L126 G127 K132 S133 E134L126-K130 VanDerWaalsContact O-CG 3.27Å; L126-K130 WeakPolarHBondContact O-CG 3.37Å; L126-K130 PolarHBondContact O-N 3.42Å; L126-K130 VanDerWaalsContact O-N 3.17Å; G127-K130 PolarHBondContact O-N 2.8Å; K130-K132 VanDerWaalsContact C-N 3.27Å; K130-K132 PolarHBondContact O-N 3.41Å; K130-S133 PolarHBondContact O-N 3.44Å; K130-S133 PolarHBondContact O-OG 3.15Å; K130-E134 PolarHBondContact O-N 3.07Å
131A89.9Confident85.9Confident3 Ų390.6 Ų90.63%0.02549%0.488CS..Hα-helixtrans-59.8-36.8179.400000112.5G127 L128 T135 A149 L150 Y153G127-A131 PolarHBondContact O-N 3.17Å; L128-A131 PolarHBondContact O-N 3.12Å; A131-T135 PolarHBondContact O-OG1 2.82Å; A131-T135 VanDerWaalsContact O-OG1 3.12Å; A131-A149 HydrophobicContact CB-CB 4.3Å; A131-L150 HydrophobicContact CB-CD2 3.72Å; A131-L150 HydrophobicContact CB-CG 4.08Å; A131-Y153 HydrophobicContact CB-CD2 3.8Å; A131-Y153 HydrophobicContact CB-CE2 4.24Å
132K90.4Very high85.8Confident116 Ų11689 Ų8950%0.50448%0.484SS..Hα-helixtrans-67.5-32.9174.4-75.1-177-177.51790113.4L128 E129 K130 T135 L150L128-K132 HydrophobicContact CD2-CD 3.67Å; L128-K132 HydrophobicContact CD2-CG 4.36Å; L128-K132 VanDerWaalsContact CD2-NZ 3.34Å; L128-K132 WeakPolarHBondContact O-CB 3.45Å; L128-K132 WeakPolarHBondContact O-CG 3.35Å; L128-K132 PolarHBondContact O-N 3.15Å; E129-K132 PolarHBondContact O-N 3.47Å; K130-K132 VanDerWaalsContact C-N 3.27Å; K130-K132 PolarHBondContact O-N 3.41Å; K132-T135 PolarHBondContact O-OG1 2.99Å; K132-L150 HydrophobicContact CB-CD2 4.33Å; K132-L150 HydrophobicContact CG-CD2 3.51Å
133S87.6Confident85.6Confident88 Ų8888 Ų8862%0.61548%0.48SS*.Hα-helixtrans-74.7-28.3-179.973.80000113.2E129 K130 T135E129-S133 PolarHBondContact O-N 3.5Å; K130-S133 PolarHBondContact O-N 3.44Å; K130-S133 PolarHBondContact O-OG 3.15Å; S133-T135 VanDerWaalsContact C-N 3.3Å; S133-T135 PolarHBondContact O-N 2.78Å
134E82Confident85.5Confident112 Ų11285 Ų8552%0.52348%0.475SS..G310 helixtrans-81.5-7.6-176.5-69.7174.917700113.4K130 A136 N146K130-E134 PolarHBondContact O-N 3.07Å; E134-A136 PolarHBondContact O-N 2.85Å; E134-N146 PolarHBondContact O-ND2 3.15Å
135T67.7Low85.5Confident81 Ų8190.7 Ų90.750%0.49750%0.5SS..G310 helixtrans-64.9-3.9-172.3-46.70000114.6A131 K132 S133A131-T135 PolarHBondContact O-OG1 2.82Å; A131-T135 VanDerWaalsContact O-OG1 3.12Å; K132-T135 PolarHBondContact O-OG1 2.99Å; S133-T135 VanDerWaalsContact C-N 3.3Å; S133-T135 PolarHBondContact O-N 2.78Å
136A60.5Low85.4Confident94 Ų9487.4 Ų87.478%0.77749%0.486SS*.G310 helixtrans-109.1-3.8-162.700000117.9E134E134-A136 PolarHBondContact O-N 2.85Å
137A63.9Low85.3Confident96 Ų9686.1 Ų86.179%0.79349%0.487SS*.SBendtrans-155.9108.6-178.700000114.3
138G72.6Confident85.3Confident42 Ų4290.8 Ų90.843%0.43351%0.51SS..  trans168173169.800000116.1Q143G138-Q143 PolarHBondContact O-NE2 3.23Å
139D85.5Confident85.3Confident138 Ų13891.1 Ų91.174%0.73852%0.516SS*.  trans-56.1159.1170-68.5-32.5000111.7K141 A142 Q143D139-K141 PolarHBondContact O-N 2.74Å; D139-A142 PolarHBondContact O-N 2.92Å; D139-Q143 PolarHBondContact O-N 3.14Å
140E88.3Confident85.3Confident173 Ų17386.6 Ų86.681%0.80850%0.495SS*.Hα-helixtrans-51.4-32.3179.1-64179.5168.800113.2A144E140-A144 PolarHBondContact O-N 3.33Å; E140-A144 VanDerWaalsContact O-N 3.12Å
141K89.2Confident85.4Confident165 Ų16584 Ų8472%0.71749%0.485SS*.Hα-helixtrans-66.1-45.8176.5-65.9-175.3178.9-177.90112.9D139 Q143 A144 E145D139-K141 PolarHBondContact O-N 2.74Å; K141-Q143 VanDerWaalsContact C-N 3.28Å; K141-Q143 PolarHBondContact O-N 3.15Å; K141-A144 PolarHBondContact O-N 3.23Å; K141-E145 WeakPolarHBondContact O-CG 3.18Å; K141-E145 PolarHBondContact O-N 3.3Å
142A88.6Confident85.6Confident31 Ų3185.7 Ų85.726%0.25650%0.495SS..Hα-helixtrans-65.7-35.7179.300000111D139 E145 N146D139-A142 PolarHBondContact O-N 2.92Å; A142-E145 PolarHBondContact O-N 3.01Å; A142-N146 WeakPolarHBondContact O-CB 3.45Å; A142-N146 PolarHBondContact O-N 3.15Å; A142-N146 PolarHBondContact O-ND2 3.35Å
143Q88.6Confident85.9Confident115 Ų11584 Ų8454%0.53749%0.487SS..Hα-helixtrans-64.4-40.8174.7-63.617823.100111.8G138 D139 K141 A147G138-Q143 PolarHBondContact O-NE2 3.23Å; D139-Q143 PolarHBondContact O-N 3.14Å; K141-Q143 VanDerWaalsContact C-N 3.28Å; K141-Q143 PolarHBondContact O-N 3.15Å; Q143-A147 WeakPolarHBondContact O-CB 3.36Å; Q143-A147 PolarHBondContact O-N 3.23Å
144A90.6Very high86.2Confident53 Ų5383.8 Ų83.844%0.43848%0.476SS..Hα-helixtrans-66.7-43176.400000112.4E140 K141 A147 I148E140-A144 PolarHBondContact O-N 3.33Å; E140-A144 VanDerWaalsContact O-N 3.12Å; K141-A144 PolarHBondContact O-N 3.23Å; A144-A147 PolarHBondContact O-N 3.08Å; A144-I148 WeakPolarHBondContact O-CG1 3.27Å; A144-I148 PolarHBondContact O-N 2.83Å
145E90.9Very high86.7Confident130 Ų13079 Ų7961%0.60746%0.455SS*.Hα-helixtrans-61.6-44.1175.7-71.9170.3-176.200111.5K141 A142 A147 I148 A149K141-E145 WeakPolarHBondContact O-CG 3.18Å; K141-E145 PolarHBondContact O-N 3.3Å; A142-E145 PolarHBondContact O-N 3.01Å; E145-A147 VanDerWaalsContact C-N 3.34Å; E145-A147 PolarHBondContact O-N 3.2Å; E145-I148 PolarHBondContact O-N 2.94Å; E145-A149 PolarHBondContact O-N 2.97Å
146N91.5Very high88Confident25 Ų2576.3 Ų76.313%0.13444%0.438CS..Hα-helixtrans-63.9-38.6176.2-72.1-14.3000112.3E134 A142 A149 L150E134-N146 PolarHBondContact O-ND2 3.15Å; A142-N146 WeakPolarHBondContact O-CB 3.45Å; A142-N146 PolarHBondContact O-N 3.15Å; A142-N146 PolarHBondContact O-ND2 3.35Å; N146-A149 PolarHBondContact O-N 2.88Å; N146-L150 WeakPolarHBondContact O-CB 3.15Å; N146-L150 WeakPolarHBondContact O-CG 3.31Å; N146-L150 PolarHBondContact O-N 3.03Å
147A92.4Very high89.6Confident56 Ų5672.8 Ų72.846%0.46341%0.406SS..Hα-helixtrans-63.7-41.417600000112Q143 A144 E145 L150 E151Q143-A147 WeakPolarHBondContact O-CB 3.36Å; Q143-A147 PolarHBondContact O-N 3.23Å; A144-A147 PolarHBondContact O-N 3.08Å; E145-A147 VanDerWaalsContact C-N 3.34Å; E145-A147 PolarHBondContact O-N 3.2Å; A147-L150 PolarHBondContact O-N 2.83Å; A147-E151 PolarHBondContact O-N 3.35Å
148I93.2Very high91Very high104 Ų10474.3 Ų74.353%0.53340%0.395SS..Hα-helixtrans-64.5-44.6174.9-64.8163.5000110.3A144 E145 L150 E151 V152A144-I148 WeakPolarHBondContact O-CG1 3.27Å; A144-I148 PolarHBondContact O-N 2.83Å; E145-I148 PolarHBondContact O-N 2.94Å; I148-L150 VanDerWaalsContact C-N 3.35Å; I148-L150 PolarHBondContact O-N 3.04Å; I148-E151 PolarHBondContact O-N 2.76Å; I148-V152 HydrophobicContact CG2-CG2 4.47Å; I148-V152 WeakPolarHBondContact O-CG2 3.5Å; I148-V152 PolarHBondContact O-N 3.05Å
149A93Very high91.9Very high31 Ų3172.4 Ų72.426%0.25638%0.375SS..Hα-helixtrans-60.2-44.5178.100000111.8A131 E145 N146 E151 V152 Y153A131-A149 HydrophobicContact CB-CB 4.3Å; E145-A149 PolarHBondContact O-N 2.97Å; N146-A149 PolarHBondContact O-N 2.88Å; A149-E151 PolarHBondContact O-N 3.17Å; A149-V152 PolarHBondContact O-N 3.23Å; A149-Y153 HydrophobicContact CB-CD2 4.45Å; A149-Y153 HydrophobicContact CB-CE2 4.42Å; A149-Y153 WeakPolarHBondContact O-CD2 3.41Å; A149-Y153 PolarHBondContact O-N 2.84Å
150L93.8Very high92.2Very high32 Ų3266 Ų6617%0.16834%0.341CS..Hα-helixtrans-58.4-46.6174.6-76.8171.8000111.8A131 K132 N146 A147 I148 V152 Y153 E154A131-L150 HydrophobicContact CB-CD2 3.72Å; A131-L150 HydrophobicContact CB-CG 4.08Å; K132-L150 HydrophobicContact CB-CD2 4.33Å; K132-L150 HydrophobicContact CG-CD2 3.51Å; N146-L150 WeakPolarHBondContact O-CB 3.15Å; N146-L150 WeakPolarHBondContact O-CG 3.31Å; N146-L150 PolarHBondContact O-N 3.03Å; A147-L150 PolarHBondContact O-N 2.83Å; I148-L150 VanDerWaalsContact C-N 3.35Å; I148-L150 PolarHBondContact O-N 3.04Å; L150-V152 VanDerWaalsContact C-N 3.34Å; L150-V152 PolarHBondContact O-N 3.43Å; L150-Y153 PolarHBondContact O-N 3.41Å; L150-E154 WeakPolarHBondContact O-CB 3.39Å; L150-E154 VanDerWaalsContact O-CG 3.27Å; L150-E154 WeakPolarHBondContact O-CG 3Å; L150-E154 PolarHBondContact O-N 3.16Å
151E93.7Very high92.2Very high78 Ų7863.1 Ų63.136%0.36433%0.328SS..Hα-helixtrans-59.9-43.2178.9-177.4172-163.100112.2K75 P76 A147 I148 A149 A155K75-E151 WeakPolarHBondContact CE-OE1 3.28Å; K75-E151 IonicContact NZ-OE1 3.41Å; K75-E151 PolarHBondContact NZ-OE1 2.94Å; P76-E151 HydrophobicContact CG-CG 4Å; A147-E151 PolarHBondContact O-N 3.35Å; I148-E151 PolarHBondContact O-N 2.76Å; A149-E151 PolarHBondContact O-N 3.17Å; E151-A155 WeakPolarHBondContact O-CB 3.34Å; E151-A155 PolarHBondContact O-N 3.21Å; E151-A155 VanDerWaalsContact O-N 3.09Å
152V94.7Very high91.8Very high39 Ų3960.2 Ų60.224%0.23632%0.317CS..Hα-helixtrans-67.8-46.4179175.80000111.5P76 I148 A149 L150 E154 A155 L156P76-V152 HydrophobicContact CB-CG2 4.18Å; P76-V152 HydrophobicContact CG-CG2 4.18Å; I148-V152 HydrophobicContact CG2-CG2 4.47Å; I148-V152 WeakPolarHBondContact O-CG2 3.5Å; I148-V152 PolarHBondContact O-N 3.05Å; A149-V152 PolarHBondContact O-N 3.23Å; L150-V152 VanDerWaalsContact C-N 3.34Å; L150-V152 PolarHBondContact O-N 3.43Å; V152-E154 PolarHBondContact O-N 3.39Å; V152-A155 PolarHBondContact O-N 3.36Å; V152-L156 HydrophobicContact CG1-CD1 4.23Å; V152-L156 WeakPolarHBondContact O-CG 3.45Å; V152-L156 PolarHBondContact O-N 2.87Å
153Y95.3Very high91Very high82 Ų8261.5 Ų61.532%0.32233%0.327SS..Hα-helixtrans-67.7-35.7-180-76-59.1000112.9A131 A149 L150 A155 L156 V157A131-Y153 HydrophobicContact CB-CD2 3.8Å; A131-Y153 HydrophobicContact CB-CE2 4.24Å; A149-Y153 HydrophobicContact CB-CD2 4.45Å; A149-Y153 HydrophobicContact CB-CE2 4.42Å; A149-Y153 WeakPolarHBondContact O-CD2 3.41Å; A149-Y153 PolarHBondContact O-N 2.84Å; L150-Y153 PolarHBondContact O-N 3.41Å; Y153-A155 VanDerWaalsContact C-N 3.34Å; Y153-L156 HydrophobicContact CD1-CD1 3.93Å; Y153-L156 HydrophobicContact CE1-CD1 4.32Å; Y153-L156 PolarHBondContact O-N 2.93Å; Y153-V157 WeakPolarHBondContact O-CG2 3.23Å; Y153-V157 PolarHBondContact O-N 2.86Å
154E94Very high89.4Confident82 Ų8262.4 Ų62.438%0.38335%0.354SS..Hα-helixtrans-63.8-39.9171.9-75.3-177.5179.600112L128 L150 V152 K158L128-E154 HydrophobicContact CD1-CG 4.13Å; L150-E154 WeakPolarHBondContact O-CB 3.39Å; L150-E154 VanDerWaalsContact O-CG 3.27Å; L150-E154 WeakPolarHBondContact O-CG 3Å; L150-E154 PolarHBondContact O-N 3.16Å; V152-E154 PolarHBondContact O-N 3.39Å; E154-K158 VanDerWaalsContact O-CG 3.29Å; E154-K158 WeakPolarHBondContact O-CG 3.5Å; E154-K158 PolarHBondContact O-N 2.88Å; E154-K158 VanDerWaalsContact O-N 3.13Å
155A93.8Very high89.4Confident12 Ų1262.9 Ų62.910%0.09935%0.35CS..Hα-helixtrans-66.1-39.4175.100000112.1P76 F92 E151 V152 Y153 K158 A159P76-A155 HydrophobicContact CB-CB 3.99Å; P76-A155 WeakPolarHBondContact O-CB 3.47Å; F92-A155 HydrophobicContact CE2-CB 4.16Å; F92-A155 HydrophobicContact CZ-CB 4.44Å; E151-A155 WeakPolarHBondContact O-CB 3.34Å; E151-A155 PolarHBondContact O-N 3.21Å; E151-A155 VanDerWaalsContact O-N 3.09Å; V152-A155 PolarHBondContact O-N 3.36Å; Y153-A155 VanDerWaalsContact C-N 3.34Å; A155-K158 PolarHBondContact O-N 3.21Å; A155-A159 WeakPolarHBondContact O-CB 3.21Å; A155-A159 PolarHBondContact O-N 3.46Å
156L94.3Very high89.3Confident24 Ų2459.3 Ų59.313%0.12634%0.336CS..Hα-helixtrans-61.1-49.1175-80.6168.9000112F92 L119 C124 V152 Y153 K158 A159 C160F92-L156 HydrophobicContact CD1-CD2 3.6Å; F92-L156 HydrophobicContact CD2-CD2 4.05Å; F92-L156 HydrophobicContact CE1-CD2 3.3Å; F92-L156 HydrophobicContact CE1-CG 3.81Å; F92-L156 HydrophobicContact CE2-CD2 3.78Å; F92-L156 HydrophobicContact CE2-CG 4Å; F92-L156 HydrophobicContact CG-CD2 3.97Å; F92-L156 HydrophobicContact CZ-CB 4.44Å; F92-L156 HydrophobicContact CZ-CD2 3.4Å; F92-L156 HydrophobicContact CZ-CG 3.49Å; F92-L156 VanDerWaalsContact CZ-CG 3.49Å; L119-L156 HydrophobicContact CD2-CD2 3.98Å; C124-L156 HydrophobicContact CB-CB 4.29Å; V152-L156 HydrophobicContact CG1-CD1 4.23Å; V152-L156 WeakPolarHBondContact O-CG 3.45Å; V152-L156 PolarHBondContact O-N 2.87Å; Y153-L156 HydrophobicContact CD1-CD1 3.93Å; Y153-L156 HydrophobicContact CE1-CD1 4.32Å; Y153-L156 PolarHBondContact O-N 2.93Å; L156-K158 VanDerWaalsContact C-N 3.31Å; L156-K158 PolarHBondContact O-N 3.42Å; L156-A159 WeakPolarHBondContact O-CB 3.46Å; L156-A159 PolarHBondContact O-N 3.36Å; L156-A159 VanDerWaalsContact O-N 3.14Å; L156-C160 PolarHBondContact O-N 3.33Å; L156-C160 PolarHBondContact O-SG 3.41Å
157V93.9Very high89.2Confident20 Ų2061.2 Ų61.212%0.12135%0.348CS..Hα-helixtrans-61-41.3178.5172.10000111.1C124 E125 L128 Y153 C160 H161C124-V157 HydrophobicContact CB-CG2 3.94Å; E125-V157 HydrophobicContact CG-CG2 4.38Å; L128-V157 HydrophobicContact CB-CG2 4.49Å; L128-V157 HydrophobicContact CD1-CB 4.4Å; L128-V157 HydrophobicContact CD1-CG2 3.85Å; Y153-V157 WeakPolarHBondContact O-CG2 3.23Å; Y153-V157 PolarHBondContact O-N 2.86Å; V157-C160 PolarHBondContact O-N 3.38Å; V157-H161 PolarHBondContact O-CD2 3.46Å; V157-H161 PolarHBondContact O-N 3Å; V157-H161 VanDerWaalsContact O-N 3.15Å
158K92.8Very high89Confident129 Ų12961.5 Ų61.556%0.56134%0.341SS*.Hα-helixtrans-60.5-46.1173.2-71.6168.7-174166.90111.9E154 A155 L156 C160 H161 E162E154-K158 VanDerWaalsContact O-CG 3.29Å; E154-K158 WeakPolarHBondContact O-CG 3.5Å; E154-K158 PolarHBondContact O-N 2.88Å; E154-K158 VanDerWaalsContact O-N 3.13Å; A155-K158 PolarHBondContact O-N 3.21Å; L156-K158 VanDerWaalsContact C-N 3.31Å; L156-K158 PolarHBondContact O-N 3.42Å; K158-C160 VanDerWaalsContact C-N 3.33Å; K158-C160 PolarHBondContact O-N 3.39Å; K158-H161 PolarHBondContact O-N 3.08Å; K158-E162 PolarHBondContact O-N 2.82Å; K158-E162 VanDerWaalsContact O-N 3.12Å
159A92.2Very high88.7Confident1 Ų158.9 Ų58.91%0.00833%0.329CS..Hα-helixtrans-61.4-40.5179.100000112.6V78 F92 L119 A155 L156 H161 E162 A163V78-A159 HydrophobicContact CG2-CB 3.36Å; F92-A159 HydrophobicContact CD2-CB 3.64Å; F92-A159 HydrophobicContact CE2-CB 4.18Å; L119-A159 HydrophobicContact CD1-CB 4.21Å; A155-A159 WeakPolarHBondContact O-CB 3.21Å; A155-A159 PolarHBondContact O-N 3.46Å; L156-A159 WeakPolarHBondContact O-CB 3.46Å; L156-A159 PolarHBondContact O-N 3.36Å; L156-A159 VanDerWaalsContact O-N 3.14Å; A159-H161 VanDerWaalsContact C-N 3.32Å; A159-H161 PolarHBondContact O-N 2.85Å; A159-E162 PolarHBondContact O-N 3.13Å; A159-A163 PolarHBondContact O-N 3.48Å
160C90.8Very high88.4Confident4 Ų460.7 Ų60.73%0.02733%0.334CS..Hα-helixtrans-68.2-31.4177.5-60.80000112.4L119 L121 C124 L156 V157 K158 A163L119-C160 VanDerWaalsContact CB-SG 3.59Å; L121-C160 HydrophobicContact CD2-CB 3.1Å; L121-C160 HydrophobicContact CG-CB 3.66Å; C124-C160 VanDerWaalsContact SG-SG 3.69Å; L156-C160 PolarHBondContact O-N 3.33Å; L156-C160 PolarHBondContact O-SG 3.41Å; V157-C160 PolarHBondContact O-N 3.38Å; K158-C160 VanDerWaalsContact C-N 3.33Å; K158-C160 PolarHBondContact O-N 3.39Å; C160-A163 VanDerWaalsContact O-CB 3.28Å; C160-A163 WeakPolarHBondContact O-CB 3.45Å; C160-A163 PolarHBondContact O-N 3.35Å
161H89.4Confident88Confident113 Ų11362.8 Ų62.852%0.52335%0.345SS..Hα-helixtrans-71.1-29.9172.4-74-53.8000113V157 K158 A159 A163V157-H161 PolarHBondContact O-CD2 3.46Å; V157-H161 PolarHBondContact O-N 3Å; V157-H161 VanDerWaalsContact O-N 3.15Å; K158-H161 PolarHBondContact O-N 3.08Å; A159-H161 VanDerWaalsContact C-N 3.32Å; A159-H161 PolarHBondContact O-N 2.85Å; H161-A163 PolarHBondContact O-N 3.29Å
162E80.4Confident87.6Confident104 Ų10461.6 Ų61.649%0.48634%0.344SS..THydrogen-bonded Turntrans-76.2-10.1175-69.2177.4-167.100114K90 K158 A159K90-E162 PolarHBondContact NZ-O 2.88Å; K158-E162 PolarHBondContact O-N 2.82Å; K158-E162 VanDerWaalsContact O-N 3.12Å; A159-E162 PolarHBondContact O-N 3.13Å
163A71.2Confident87Confident57 Ų5763.5 Ų63.547%0.47135%0.353SS..THydrogen-bonded Turntrans-83.8-32.117600000113.5V116 A159 C160 H161V116-A163 HydrophobicContact CG1-CB 3.15Å; A159-A163 PolarHBondContact O-N 3.48Å; C160-A163 VanDerWaalsContact O-CB 3.28Å; C160-A163 WeakPolarHBondContact O-CB 3.45Å; C160-A163 PolarHBondContact O-N 3.35Å; H161-A163 PolarHBondContact O-N 3.29Å
164A55.8Low86.3Confident134 Ų13461.8 Ų61.8100%1.10736%0.356SS*.  trans-85.20-173.100000111.8

Retrieved 164 of 164 residues in 83.6 ms (Link to these results)

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