A0A096NBI0_PAPAN Loading...

DNA-directed RNA polymerases I and III subunit RPAC2

AlphaFold DB (G7NJU4), UniProt , Accession A0A096NBI0, Species PAPAN (Papio anubis, Olive baboon), Gene n/a, Length 133 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
1M55.9Low55.9Low191 Ų191136.8 Ų136.894%0.94164%0.639SS**  0-570-90.6-154.4-6100112.3D4M1-D4 WeakPolarHBondContact CA-OD2 3.41Å; M1-D4 PolarHBondContact N-OD2 3.21Å
2E55Low55.3Low169 Ų169130.8 Ų130.879%0.7962%0.624SS**Hα-helixtrans-75.7-37.6177-71.5179.7162.900112.8D4 Q5 E6E2-D4 VanDerWaalsContact C-N 3.34Å; E2-D4 PolarHBondContact O-N 3.37Å; E2-Q5 PolarHBondContact O-N 3Å; E2-E6 PolarHBondContact O-N 2.8Å
3E52.6Low54.1Low168 Ų168124 Ų12479%0.78561%0.609SS**Hα-helixtrans-67.7-32176.7-66179.7160.600113E6 L7E3-E6 PolarHBondContact O-N 3.41Å; E3-L7 PolarHBondContact O-N 3.06Å
4D54.5Low53.2Low97 Ų97124.9 Ų124.952%0.51962%0.617SS.*Hα-helixtrans-69.8-36.7177.5-53.8-56.9000111.5M1 E2 L7 E8M1-D4 WeakPolarHBondContact CA-OD2 3.41Å; M1-D4 PolarHBondContact N-OD2 3.21Å; E2-D4 VanDerWaalsContact C-N 3.34Å; E2-D4 PolarHBondContact O-N 3.37Å; D4-L7 PolarHBondContact O-N 3.45Å; D4-E8 WeakPolarHBondContact O-CG 3.41Å; D4-E8 PolarHBondContact O-N 2.96Å
5Q54.4Low52.3Low125 Ų125127.5 Ų127.558%0.58462%0.623SS**Hα-helixtrans-70.1-32174.6-82-178.1-1.900112.7E2 R9E2-Q5 PolarHBondContact O-N 3Å; Q5-R9 WeakPolarHBondContact O-CB 3.49Å; Q5-R9 WeakPolarHBondContact O-CG 3.41Å; Q5-R9 PolarHBondContact O-N 2.75Å
6E58.6Low51.5Low110 Ų110126.5 Ų126.551%0.51463%0.627SS.*Hα-helixtrans-72.3-35.3175-163.9176.7147.900111.7E2 E3 R9 K10E2-E6 PolarHBondContact O-N 2.8Å; E3-E6 PolarHBondContact O-N 3.41Å; E6-R9 PolarHBondContact O-N 3.29Å; E6-K10 WeakPolarHBondContact O-CB 3.49Å; E6-K10 WeakPolarHBondContact O-CG 3.34Å; E6-K10 PolarHBondContact O-N 3.03Å; E6-K10 WeakPolarHBondContact OE1-CE 3.45Å; E6-K10 IonicContact OE1-NZ 3.44Å; E6-K10 PolarHBondContact OE1-NZ 3.45Å
7L57.3Low50.6Low104 Ų104124.2 Ų124.255%0.54563%0.626SS.*Hα-helixtrans-66.6-42.8173.6-168.866.8000111.5E3 D4 K10 I11E3-L7 PolarHBondContact O-N 3.06Å; D4-L7 PolarHBondContact O-N 3.45Å; L7-K10 PolarHBondContact O-N 2.87Å; L7-I11 HydrophobicContact CG-CD1 3.98Å; L7-I11 WeakPolarHBondContact O-CB 3.42Å; L7-I11 WeakPolarHBondContact O-CD1 3.21Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.4Å
8E57.5Low50.1Low142 Ų142127.2 Ų127.266%0.66464%0.64SS**Hα-helixtrans-64.3-38.8174.3-76.5-173.1159.900112.5D4 I11 S12D4-E8 WeakPolarHBondContact O-CG 3.41Å; D4-E8 PolarHBondContact O-N 2.96Å; E8-I11 PolarHBondContact O-N 3.37Å; E8-S12 WeakPolarHBondContact O-CB 3.46Å; E8-S12 PolarHBondContact O-N 3.39Å
9R55.3Low50Low190 Ų190124.4 Ų124.472%0.71764%0.639SS**Hα-helixtrans-64.2-42173.8-79.1179.8175.9-1660.6112Q5 E6 S12 G13Q5-R9 WeakPolarHBondContact O-CB 3.49Å; Q5-R9 WeakPolarHBondContact O-CG 3.41Å; Q5-R9 PolarHBondContact O-N 2.75Å; E6-R9 PolarHBondContact O-N 3.29Å; R9-S12 PolarHBondContact O-N 2.89Å; R9-S12 PolarHBondContact O-OG 2.91Å; R9-G13 PolarHBondContact O-N 2.93Å
10K58.4Low49.4Very low129 Ų129128.3 Ų128.356%0.56165%0.654SS**Hα-helixtrans-65.8-38.8175.1-76.9173.3-176.2159.10112.4E6 L7 G13 L14E6-K10 WeakPolarHBondContact O-CB 3.49Å; E6-K10 WeakPolarHBondContact O-CG 3.34Å; E6-K10 PolarHBondContact O-N 3.03Å; E6-K10 WeakPolarHBondContact OE1-CE 3.45Å; E6-K10 IonicContact OE1-NZ 3.44Å; E6-K10 PolarHBondContact OE1-NZ 3.45Å; L7-K10 PolarHBondContact O-N 2.87Å; K10-G13 PolarHBondContact O-N 3Å; K10-L14 WeakPolarHBondContact O-CB 3.28Å; K10-L14 PolarHBondContact O-N 3.45Å
11I55.7Low49Very low80 Ų80125.3 Ų125.341%0.4166%0.655SS.*Hα-helixtrans-69.1-37.7175.9-67.7165.3000111.2L7 E8 K15L7-I11 HydrophobicContact CG-CD1 3.98Å; L7-I11 WeakPolarHBondContact O-CB 3.42Å; L7-I11 WeakPolarHBondContact O-CD1 3.21Å; L7-I11 WeakPolarHBondContact O-CG1 3.49Å; L7-I11 PolarHBondContact O-N 3.4Å; E8-I11 PolarHBondContact O-N 3.37Å; I11-K15 HydrophobicContact CG2-CD 4.33Å; I11-K15 WeakPolarHBondContact O-CB 3.48Å; I11-K15 VanDerWaalsContact O-CG 3.28Å; I11-K15 WeakPolarHBondContact O-CG 3.5Å; I11-K15 PolarHBondContact O-N 3.32Å; I11-K15 VanDerWaalsContact O-N 3.11Å
12S48.2Very low48.7Very low65 Ų65124.6 Ų124.646%0.45565%0.649SS.*Hα-helixtrans-68.7-3717483.80000112.4E8 R9 K15 T16E8-S12 WeakPolarHBondContact O-CB 3.46Å; E8-S12 PolarHBondContact O-N 3.39Å; R9-S12 PolarHBondContact O-N 2.89Å; R9-S12 PolarHBondContact O-OG 2.91Å; S12-K15 PolarHBondContact O-N 3.31Å; S12-T16 PolarHBondContact O-N 2.72Å; S12-T16 PolarHBondContact O-OG1 3.45Å
13G39.6Very low48.7Very low42 Ų42128.1 Ų128.143%0.43366%0.655SS.*Hα-helixtrans-67.7-38.6176.400000112.7R9 K10 T16R9-G13 PolarHBondContact O-N 2.93Å; K10-G13 PolarHBondContact O-N 3Å; G13-T16 PolarHBondContact O-N 3.02Å
14L42.2Very low49.1Very low137 Ų137128.4 Ų128.472%0.71765%0.654SS**Hα-helixtrans-71.4-29.8174.9-135.378.4000112.7K10 T16K10-L14 WeakPolarHBondContact O-CB 3.28Å; K10-L14 PolarHBondContact O-N 3.45Å; L14-T16 PolarHBondContact O-N 3.3Å
15K40.1Very low50.3Low163 Ų163128.9 Ų128.971%0.70966%0.66SS**Hα-helixtrans-72.7-15173.8-75.6178.2179.5-176.90113.4I11 S12I11-K15 HydrophobicContact CG2-CD 4.33Å; I11-K15 WeakPolarHBondContact O-CB 3.48Å; I11-K15 VanDerWaalsContact O-CG 3.28Å; I11-K15 WeakPolarHBondContact O-CG 3.5Å; I11-K15 PolarHBondContact O-N 3.32Å; I11-K15 VanDerWaalsContact O-N 3.11Å; S12-K15 PolarHBondContact O-N 3.31Å
16T39.6Very low52Low112 Ų112125.8 Ų125.869%0.68766%0.656SS**THydrogen-bonded Turntrans-101.8-3.8-175-49.30000113.3S12 G13 L14S12-T16 PolarHBondContact O-N 2.72Å; S12-T16 PolarHBondContact O-OG1 3.45Å; G13-T16 PolarHBondContact O-N 3.02Å; L14-T16 PolarHBondContact O-N 3.3Å
17S35.7Very low53.6Low88 Ų88123.8 Ų123.862%0.61565%0.649SS**SBendtrans-1047.7179.667.10000115.6
18M42Very low55.4Low178 Ų178123.8 Ų123.888%0.87765%0.646SS**SBendtrans-126.839.4173.5-65.4-157.981.300112.9
19A47.5Very low57.1Low74 Ų74121 Ų12161%0.61263%0.634SS**SBendtrans-144.970.6-179.800000111.6
20E38.7Very low58.9Low202 Ų202115 Ų11594%0.94462%0.618SS**  trans175.452.5146.2-98.8170.4179.100110.4
21G41.3Very low60.2Low65 Ų65114 Ų11467%0.6762%0.616SS**SBendtrans-89.1133.4151.600000106.9R23G21-R23 PolarHBondContact O-N 3.12Å
22E49.6Very low61.5Low176 Ų176111.7 Ų111.782%0.82261%0.608SS**  trans-38109.7174.4-69.2174.2150.300110.5K24E22-K24 PolarHBondContact O-N 3.22Å
23R53.8Low62.9Low244 Ų244113.7 Ų113.792%0.92163%0.628SS**  trans-6790.4171.4-81.9-176.1-176.8145.61.7107.1G21 T25G21-R23 PolarHBondContact O-N 3.12Å; R23-T25 PolarHBondContact O-N 3.41Å
24K61Low64.6Low174 Ų174115.8 Ų115.876%0.75765%0.65SS**  trans-60129.7169.4-70.3179.9-179.6175.70107.4E22 A26E22-K24 PolarHBondContact O-N 3.22Å; K24-A26 PolarHBondContact O-N 3.15Å
25T80.8Confident65.9Low107 Ų107111 Ų11166%0.65663%0.627SS**  trans-60.3120.3179.3-46.20000109R23 L27 H45R23-T25 PolarHBondContact O-N 3.41Å; T25-L27 WeakPolarHBondContact CG2-O 3.47Å; T25-L27 PolarHBondContact O-N 3.11Å; T25-H45 PolarHBondContact O-CD2 3.3Å
26A88.3Confident67.4Low60 Ų60110 Ų11050%0.49663%0.629SS.*SBendtrans-73.6-13.9-178.300000113.5K24 H45K24-A26 PolarHBondContact O-N 3.15Å; A26-H45 PolarHBondContact O-N 3.33Å
27L94.1Very high69.4Low68 Ų68112.7 Ų112.736%0.35663%0.627SS.*EExtended strand (participates in β ladder)trans-133.1121.4-177.9176.166.2000110.5T25 F42 V43 L44 F96T25-L27 WeakPolarHBondContact CG2-O 3.47Å; T25-L27 PolarHBondContact O-N 3.11Å; L27-F42 HydrophobicContact CD1-CB 4.1Å; L27-F42 HydrophobicContact CD1-CD1 4.09Å; L27-V43 WeakPolarHBondContact CA-O 3.32Å; L27-L44 HydrophobicContact CD1-CD2 3.57Å; L27-L44 HydrophobicContact CD1-CG 4.33Å; L27-F96 HydrophobicContact CD1-CZ 4.3Å; L27-F96 HydrophobicContact CD2-CE1 4.21Å
28E94Very high71.9Confident103 Ų103111.1 Ų111.148%0.48161%0.609SS.*EExtended strand (participates in β ladder)trans-116.2144.1169.7178.1-174.2172.900110.2V30 F42 V43E28-V30 HydrophobicContact CG-CG2 4.24Å; E28-F42 CarbonylContact O-C 3.59Å; E28-F42 WeakPolarHBondContact O-CA 3.3Å; E28-V43 HydrophobicContact CB-CB 4.14Å; E28-V43 PolarHBondContact N-O 2.96Å; E28-V43 PolarHBondContact O-N 2.76Å
29M93.5Very high74.3Confident85 Ų85103 Ų10342%0.41957%0.57SS.*EExtended strand (participates in β ladder)trans-114114.6178.5-68.9178.259.900110.3V40 F42 V93M29-V40 HydrophobicContact CB-CG1 4.26Å; M29-V40 HydrophobicContact CE-CG1 4.14Å; M29-F42 HydrophobicContact CE-CE1 3.77Å; M29-F42 HydrophobicContact CE-CZ 4.26Å; M29-F42 HydrophobicContact CG-CD1 3.67Å; M29-F42 HydrophobicContact CG-CE1 3.69Å; M29-F42 HydrophobicContact SD-CD1 4.44Å; M29-F42 HydrophobicContact SD-CE1 3.89Å; M29-V93 HydrophobicContact CE-CG2 3.36Å; M29-V93 HydrophobicContact SD-CG2 4.38Å
30V92.1Very high76.6Confident62 Ų6299.6 Ų99.638%0.37654%0.542SS..EExtended strand (participates in β ladder)trans-108.9111.8177.9-175.20000108.8E28 T41 V43E28-V30 HydrophobicContact CG-CG2 4.24Å; V30-T41 PolarHBondContact N-O 3.28Å; V30-T41 PolarHBondContact O-N 3.42Å; V30-V43 HydrophobicContact CG2-CG2 4.05Å
31Q86.9Confident79.3Confident110 Ų11091.5 Ų91.551%0.51451%0.506SS..EExtended strand (participates in β ladder)trans-81.2142.9178-62.2-177.11.900110.6V40Q31-V40 HydrophobicContact CG-CG2 4.3Å
32A82.1Confident81.9Confident31 Ų3188.5 Ų88.526%0.25648%0.475SS..PPolyproline II helixtrans-74.8137.4173.600000110.6G34 T35 C39A32-G34 PolarHBondContact O-N 3.28Å; A32-T35 PolarHBondContact O-N 3.35Å; A32-T35 PolarHBondContact O-OG1 3.11Å; A32-C39 HydrophobicContact CB-CB 4.32Å; A32-C39 PolarHBondContact N-O 3.33Å
33A79.1Confident84.1Confident106 Ų10680.8 Ų80.888%0.87644%0.439SS*.THydrogen-bonded Turntrans-59.1130.4178.700000111.1
34G73.5Confident86.1Confident87 Ų8770 Ų7090%0.89740%0.4SS*.THydrogen-bonded Turntrans79.513.8177.300000115.8A32A32-G34 PolarHBondContact O-N 3.28Å
35T70.9Confident87.8Confident36 Ų3664.4 Ų64.422%0.22138%0.376CS..  trans-123.5135.6176.459.10000112.3A32 R37 C39A32-T35 PolarHBondContact O-N 3.35Å; A32-T35 PolarHBondContact O-OG1 3.11Å; T35-R37 PolarHBondContact O-N 3.38Å; T35-R37 VanDerWaalsContact O-N 3.08Å; T35-C39 HydrophobicContact CG2-CB 4.01Å; T35-C39 VanDerWaalsContact OG1-CB 3.26Å; T35-C39 WeakPolarHBondContact OG1-CB 3.34Å
36D70.3Confident88.4Confident141 Ų14167.5 Ų67.575%0.75438%0.383SS*.  trans-85.277.7-175.5-72.6-18.6000111.3H38D36-H38 PolarHBondContact N-CD2 3.01Å; D36-H38 PolarHBondContact N-NE2 2.89Å; D36-H38 PolarHBondContact O-CD2 3.41Å; D36-H38 VanDerWaalsContact O-CD2 3.27Å; D36-H38 PolarHBondContact O-N 2.96Å
37R81.8Confident88.7Confident170 Ų17067.9 Ų67.964%0.64238%0.375SS*.SBendtrans59-7.6169.9-59.3-175.6-75.5-172.4-4.2117.6T35 V40 A92T35-R37 PolarHBondContact O-N 3.38Å; T35-R37 VanDerWaalsContact O-N 3.08Å; R37-V40 WeakPolarHBondContact O-CG2 3.42Å; R37-A92 PolarHBondContact O-N 2.9Å
38H88.7Confident88.7Confident54 Ų5468.3 Ų68.325%0.2538%0.378CS..SBendtrans-76.4-15.1173.463.486000112D36 Q85 T86D36-H38 PolarHBondContact N-CD2 3.01Å; D36-H38 PolarHBondContact N-NE2 2.89Å; D36-H38 PolarHBondContact O-CD2 3.41Å; D36-H38 VanDerWaalsContact O-CD2 3.27Å; D36-H38 PolarHBondContact O-N 2.96Å; H38-Q85 WeakPolarHBondContact O-CA 3.35Å; H38-T86 WeakPolarHBondContact CA-OG1 3.47Å; H38-T86 VanDerWaalsContact CB-OG1 3.29Å; H38-T86 WeakPolarHBondContact CB-OG1 3.46Å; H38-T86 PolarHBondContact O-N 3.49Å; H38-T86 PolarHBondContact O-OG1 3.08Å
39C92.9Very high88.9Confident9 Ų968.3 Ų68.36%0.06138%0.378CS..EExtended strand (participates in β ladder)trans-125.698.7-178.6-90.50000110.6A32 T35 R83 Q85A32-C39 HydrophobicContact CB-CB 4.32Å; A32-C39 PolarHBondContact N-O 3.33Å; T35-C39 HydrophobicContact CG2-CB 4.01Å; T35-C39 VanDerWaalsContact OG1-CB 3.26Å; T35-C39 WeakPolarHBondContact OG1-CB 3.34Å; C39-R83 VanDerWaalsContact CB-NH1 3.33Å; C39-Q85 VanDerWaalsContact SG-CG 3.56Å
40V94.9Very high89Confident1 Ų169 Ų691%0.00639%0.387CS..EExtended strand (participates in β ladder)trans-128.1145.7-178.9-174.80000110.5M29 Q31 R37 F42 R83 I84 A92M29-V40 HydrophobicContact CB-CG1 4.26Å; M29-V40 HydrophobicContact CE-CG1 4.14Å; Q31-V40 HydrophobicContact CG-CG2 4.3Å; R37-V40 WeakPolarHBondContact O-CG2 3.42Å; V40-F42 HydrophobicContact CB-CE2 3.96Å; V40-F42 HydrophobicContact CB-CZ 4.14Å; V40-F42 HydrophobicContact CG1-CD1 4.45Å; V40-F42 HydrophobicContact CG1-CD2 4.29Å; V40-F42 HydrophobicContact CG1-CE1 4.17Å; V40-F42 HydrophobicContact CG1-CE2 3.97Å; V40-F42 HydrophobicContact CG1-CZ 3.91Å; V40-R83 VanDerWaalsContact N-NH1 3.13Å; V40-I84 PolarHBondContact N-O 3.43Å; V40-I84 VanDerWaalsContact N-O 3.12Å; V40-I84 PolarHBondContact O-N 2.93Å; V40-A92 HydrophobicContact CB-CB 4.08Å; V40-A92 HydrophobicContact CG2-CB 4Å
41T95.9Very high89.2Confident33 Ų3368.1 Ų68.120%0.20238%0.38CS..EExtended strand (participates in β ladder)trans-106118.1165.6-54.70000108.1V30 N81 L82 R83V30-T41 PolarHBondContact N-O 3.28Å; V30-T41 PolarHBondContact O-N 3.42Å; T41-N81 HydrophobicContact CG2-CB 3.94Å; T41-L82 WeakPolarHBondContact CA-O 3.34Å; T41-R83 WeakPolarHBondContact OG1-CD 3.17Å
42F96.3Very high89.6Confident1 Ų162.9 Ų62.90%0.00436%0.355CS..EExtended strand (participates in β ladder)trans-92120.9173.4-61.4-87.8000108.5L27 E28 M29 V40 L82 I84 A92 V93 F96L27-F42 HydrophobicContact CD1-CB 4.1Å; L27-F42 HydrophobicContact CD1-CD1 4.09Å; E28-F42 CarbonylContact O-C 3.59Å; E28-F42 WeakPolarHBondContact O-CA 3.3Å; M29-F42 HydrophobicContact CE-CE1 3.77Å; M29-F42 HydrophobicContact CE-CZ 4.26Å; M29-F42 HydrophobicContact CG-CD1 3.67Å; M29-F42 HydrophobicContact CG-CE1 3.69Å; M29-F42 HydrophobicContact SD-CD1 4.44Å; M29-F42 HydrophobicContact SD-CE1 3.89Å; V40-F42 HydrophobicContact CB-CE2 3.96Å; V40-F42 HydrophobicContact CB-CZ 4.14Å; V40-F42 HydrophobicContact CG1-CD1 4.45Å; V40-F42 HydrophobicContact CG1-CD2 4.29Å; V40-F42 HydrophobicContact CG1-CE1 4.17Å; V40-F42 HydrophobicContact CG1-CE2 3.97Å; V40-F42 HydrophobicContact CG1-CZ 3.91Å; F42-L82 HydrophobicContact CB-CB 4.39Å; F42-L82 PolarHBondContact N-O 2.94Å; F42-L82 PolarHBondContact O-N 2.94Å; F42-I84 HydrophobicContact CD2-CD1 3.97Å; F42-I84 HydrophobicContact CD2-CG1 4.35Å; F42-I84 HydrophobicContact CE2-CB 4.37Å; F42-I84 HydrophobicContact CE2-CD1 3.78Å; F42-I84 HydrophobicContact CE2-CG1 4.31Å; F42-A92 HydrophobicContact CE2-CB 4.37Å; F42-V93 HydrophobicContact CE1-CG2 4.37Å; F42-V93 HydrophobicContact CZ-CG2 4.16Å; F42-F96 HydrophobicContact CB-CE2 4.45Å; F42-F96 HydrophobicContact CD1-CD1 4.44Å; F42-F96 HydrophobicContact CD1-CE1 4.47Å; F42-F96 HydrophobicContact CD1-CG 4.5Å; F42-F96 HydrophobicContact CD2-CD2 4.2Å; F42-F96 HydrophobicContact CD2-CG 4.47Å; F42-F96 HydrophobicContact CE1-CD1 4.23Å; F42-F96 HydrophobicContact CE1-CG 4.3Å; F42-F96 HydrophobicContact CE2-CB 4.18Å; F42-F96 HydrophobicContact CE2-CD2 4.43Å; F42-F96 HydrophobicContact CE2-CG 4.31Å; F42-F96 HydrophobicContact CG-CD2 4.29Å; F42-F96 HydrophobicContact CG-CE2 4.33Å; F42-F96 HydrophobicContact CZ-CB 4.09Å; F42-F96 HydrophobicContact CZ-CG 4.21Å
43V96.3Very high90.3Very high14 Ų1465.4 Ų65.49%0.08537%0.365CS..EExtended strand (participates in β ladder)trans-94.5112.5173-173.10000107.1L27 E28 V30 K79 I80L27-V43 WeakPolarHBondContact CA-O 3.32Å; E28-V43 HydrophobicContact CB-CB 4.14Å; E28-V43 PolarHBondContact N-O 2.96Å; E28-V43 PolarHBondContact O-N 2.76Å; V30-V43 HydrophobicContact CG2-CG2 4.05Å; V43-K79 HydrophobicContact CG1-CD 4.39Å; V43-I80 WeakPolarHBondContact CA-O 3.41Å
44L95.7Very high91.2Very high18 Ų1862.9 Ų62.99%0.09434%0.34CS..EExtended strand (participates in β ladder)trans-100.6117.3176.1-64.4163.2000107.9L27 E47 L51 K79 I80 F96L27-L44 HydrophobicContact CD1-CD2 3.57Å; L27-L44 HydrophobicContact CD1-CG 4.33Å; L44-E47 HydrophobicContact CB-CB 4.05Å; L44-E47 HydrophobicContact CB-CG 4.18Å; L44-L51 HydrophobicContact CD1-CD2 4.47Å; L44-K79 WeakPolarHBondContact O-CA 3.49Å; L44-I80 HydrophobicContact CB-CD1 4.29Å; L44-I80 HydrophobicContact CB-CG1 3.71Å; L44-I80 HydrophobicContact CD1-CD1 3.8Å; L44-I80 HydrophobicContact CD1-CG1 4.02Å; L44-I80 HydrophobicContact CG-CG1 4.39Å; L44-I80 PolarHBondContact N-O 3.36Å; L44-I80 PolarHBondContact O-N 2.92Å; L44-F96 HydrophobicContact CD2-CZ 4.29Å
45H95Very high92.3Very high56 Ų5658.8 Ų58.826%0.25930%0.298SS..EExtended strand (participates in β ladder)trans-86.2152.1175.6-64.6-97.8000110.5T25 A26 E47T25-H45 PolarHBondContact O-CD2 3.3Å; A26-H45 PolarHBondContact O-N 3.33Å; H45-E47 PolarHBondContact O-N 3.07Å
46E94Very high93.6Very high172 Ų17261.5 Ų61.580%0.80430%0.304SS*.THydrogen-bonded Turntrans61.719.7-179.1-55.7-173.8157.100113.8S78E46-S78 PolarHBondContact N-O 3.1Å
47E94.9Very high94.9Very high68 Ų6860.9 Ų60.932%0.31829%0.292SS..  trans-121.1156-178.9-70-65.3166.800111.6L44 H45 L51 I80L44-E47 HydrophobicContact CB-CB 4.05Å; L44-E47 HydrophobicContact CB-CG 4.18Å; H45-E47 PolarHBondContact O-N 3.07Å; E47-L51 VanDerWaalsContact CD-CD2 3.48Å; E47-L51 HydrophobicContact CG-CD2 3.86Å; E47-L51 WeakPolarHBondContact OE2-CB 3.33Å; E47-I80 HydrophobicContact CB-CD1 4.13Å; E47-I80 HydrophobicContact CB-CG1 4.14Å
48D94.9Very high95.7Very high78 Ų7853.9 Ų53.942%0.41727%0.267SS..  trans-138.1-156.7-178.371.88.2000112.4T50 G52D48-T50 PolarHBondContact O-N 3.35Å; D48-T50 VanDerWaalsContact O-N 3.16Å; D48-T50 WeakPolarHBondContact OD1-CB 3.47Å; D48-T50 PolarHBondContact OD1-N 2.97Å; D48-T50 PolarHBondContact OD1-OG1 2.98Å; D48-G52 PolarHBondContact O-N 3Å
49H96.4Very high96.1Very high103 Ų10351.3 Ų51.348%0.47726%0.255SS..Hα-helixtrans-58.9-22.9178.7-62.6-74.2000113.8N53 Y70H49-N53 WeakPolarHBondContact O-CB 3.47Å; H49-N53 PolarHBondContact O-N 2.8Å; H49-Y70 HydrophobicContact CB-CE2 4.39Å; H49-Y70 AromaticContact CE1-CE2 3.99Å; H49-Y70 AromaticContact ND1-CE2 3.27Å; H49-Y70 VanDerWaalsContact ND1-CE2 3.27Å; H49-Y70 WeakPolarHBondContact ND1-CE2 3.5Å; H49-Y70 AromaticContact ND1-CZ 3.5Å; H49-Y70 PolarHBondContact ND1-OH 3.32Å
50T96Very high96.2Very high100 Ų10054.9 Ų54.961%0.61327%0.272SS*.Hα-helixtrans-62.3-59.4-176.7-51.90000111D48 S54D48-T50 PolarHBondContact O-N 3.35Å; D48-T50 VanDerWaalsContact O-N 3.16Å; D48-T50 WeakPolarHBondContact OD1-CB 3.47Å; D48-T50 PolarHBondContact OD1-N 2.97Å; D48-T50 PolarHBondContact OD1-OG1 2.98Å; T50-S54 WeakPolarHBondContact O-CB 3.48Å; T50-S54 PolarHBondContact O-OG 3.4Å
51L95.9Very high96.3Very high43 Ų4361 Ų6123%0.22530%0.298CS..Hα-helixtrans-75-40.6174.8-177.162.1000110.9L44 E47 N53 S54 L55 L103L44-L51 HydrophobicContact CD1-CD2 4.47Å; E47-L51 VanDerWaalsContact CD-CD2 3.48Å; E47-L51 HydrophobicContact CG-CD2 3.86Å; E47-L51 WeakPolarHBondContact OE2-CB 3.33Å; L51-N53 PolarHBondContact O-N 3.33Å; L51-S54 PolarHBondContact O-N 2.98Å; L51-L55 HydrophobicContact CD1-CB 4.38Å; L51-L55 WeakPolarHBondContact O-CB 3.32Å; L51-L55 PolarHBondContact O-N 3.23Å; L51-L103 HydrophobicContact CD1-CD2 4.12Å
52G96.3Very high96.2Very high0 Ų060 Ų600%029%0.292CS..Hα-helixtrans-56.4-48-175.600000113.4D48 R56 Y70D48-G52 PolarHBondContact O-N 3Å; G52-R56 WeakPolarHBondContact O-CB 3.28Å; G52-R56 PolarHBondContact O-N 3.48Å; G52-Y70 WeakPolarHBondContact O-CD1 3.42Å
53N97Very high96.1Very high84 Ų8464.7 Ų64.745%0.44932%0.322SS..Hα-helixtrans-72.5-42.8-178.9-16744.5000112.4H49 L51 Y57 Y70H49-N53 WeakPolarHBondContact O-CB 3.47Å; H49-N53 PolarHBondContact O-N 2.8Å; L51-N53 PolarHBondContact O-N 3.33Å; N53-Y57 PolarHBondContact O-N 3.29Å; N53-Y57 VanDerWaalsContact O-N 3.07Å; N53-Y70 HydrophobicContact CB-CE1 3.93Å
54S97.4Very high96Very high52 Ų5268.4 Ų68.436%0.36434%0.339SS..Hα-helixtrans-61-48.4178.9-56.70000111.1T50 L51 Y57 M58T50-S54 WeakPolarHBondContact O-CB 3.48Å; T50-S54 PolarHBondContact O-OG 3.4Å; L51-S54 PolarHBondContact O-N 2.98Å; S54-Y57 WeakPolarHBondContact O-CB 3.33Å; S54-Y57 PolarHBondContact O-N 3.14Å; S54-M58 PolarHBondContact O-N 3.09Å
55L97.6Very high96.1Very high1 Ų168 Ų681%0.00534%0.337CS..Hα-helixtrans-69-42-179.4-176.357000111.9L51 Y57 M58 I59 L82 F96 L100L51-L55 HydrophobicContact CD1-CB 4.38Å; L51-L55 WeakPolarHBondContact O-CB 3.32Å; L51-L55 PolarHBondContact O-N 3.23Å; L55-Y57 PolarHBondContact O-N 2.97Å; L55-M58 PolarHBondContact O-N 3.12Å; L55-I59 HydrophobicContact CD1-CD1 3.81Å; L55-I59 HydrophobicContact CD1-CG1 4.05Å; L55-I59 HydrophobicContact CD2-CD1 4.34Å; L55-I59 HydrophobicContact CG-CD1 3.68Å; L55-I59 HydrophobicContact CG-CG1 4.33Å; L55-I59 WeakPolarHBondContact O-CG1 3.36Å; L55-I59 PolarHBondContact O-N 3.27Å; L55-L82 HydrophobicContact CD2-CD2 3.86Å; L55-L82 HydrophobicContact CG-CD2 4.33Å; L55-F96 HydrophobicContact CD2-CD2 4.27Å; L55-F96 HydrophobicContact CD2-CE2 3.72Å; L55-F96 HydrophobicContact CD2-CZ 4.5Å; L55-L100 HydrophobicContact CD1-CD2 3.83Å; L55-L100 HydrophobicContact CD1-CG 3.95Å; L55-L100 HydrophobicContact CD2-CD2 3.83Å; L55-L100 HydrophobicContact CD2-CG 4.31Å; L55-L100 HydrophobicContact CG-CD2 4.46Å
56R97.5Very high96.1Very high93 Ų9370.3 Ų70.335%0.35135%0.348SS..Hα-helixtrans-53.8-44.9173.4175.5-170.1168-92.1-3.5111.1G52 I59 M60 C68 Y70G52-R56 WeakPolarHBondContact O-CB 3.28Å; G52-R56 PolarHBondContact O-N 3.48Å; R56-I59 PolarHBondContact O-N 3.5Å; R56-M60 HydrophobicContact CG-CG 4.37Å; R56-M60 WeakPolarHBondContact O-CB 3.42Å; R56-M60 VanDerWaalsContact O-CG 3.3Å; R56-M60 WeakPolarHBondContact O-CG 3.27Å; R56-M60 PolarHBondContact O-N 3.49Å; R56-C68 PolarHBondContact NE-O 3.43Å; R56-Y70 HydrophobicContact CB-CD1 4.22Å
57Y97.8Very high96.1Very high128 Ų12866.9 Ų66.950%0.50233%0.331SS..Hα-helixtrans-60-47.2-179.7177.6-93.9000111.8N53 S54 L55 M60 K61N53-Y57 PolarHBondContact O-N 3.29Å; N53-Y57 VanDerWaalsContact O-N 3.07Å; S54-Y57 WeakPolarHBondContact O-CB 3.33Å; S54-Y57 PolarHBondContact O-N 3.14Å; L55-Y57 PolarHBondContact O-N 2.97Å; Y57-M60 PolarHBondContact O-N 3.45Å; Y57-K61 PolarHBondContact O-N 2.85Å; Y57-K61 WeakPolarHBondContact OH-CE 3.37Å; Y57-K61 PolarHBondContact OH-NZ 2.91Å; Y57-K61 VanDerWaalsContact OH-NZ 3.1Å
58M97.6Very high96.3Very high23 Ų2363.9 Ų63.911%0.11332%0.317CS..Hα-helixtrans-65.1-44.6179.8-62.8-54.1-6900111.7S54 L55 M60 K61 E102 L103 V106S54-M58 PolarHBondContact O-N 3.09Å; L55-M58 PolarHBondContact O-N 3.12Å; M58-M60 VanDerWaalsContact C-N 3.32Å; M58-M60 PolarHBondContact O-N 3.16Å; M58-K61 WeakPolarHBondContact O-CB 3.49Å; M58-K61 PolarHBondContact O-N 3.01Å; M58-K61 VanDerWaalsContact O-N 3.08Å; M58-E102 HydrophobicContact CE-CB 3.57Å; M58-L103 HydrophobicContact CG-CB 3.98Å; M58-L103 HydrophobicContact CG-CD1 4.02Å; M58-V106 HydrophobicContact CE-CG2 3.95Å
59I97.1Very high96.4Very high1 Ų161 Ų611%0.00531%0.305CS..Hα-helixtrans-63.7-38.7179.9-65.9172.5000111.4L55 R56 K61 N62 V65 C68 L82 I84 P95 F96L55-I59 HydrophobicContact CD1-CD1 3.81Å; L55-I59 HydrophobicContact CD1-CG1 4.05Å; L55-I59 HydrophobicContact CD2-CD1 4.34Å; L55-I59 HydrophobicContact CG-CD1 3.68Å; L55-I59 HydrophobicContact CG-CG1 4.33Å; L55-I59 WeakPolarHBondContact O-CG1 3.36Å; L55-I59 PolarHBondContact O-N 3.27Å; R56-I59 PolarHBondContact O-N 3.5Å; I59-K61 PolarHBondContact O-N 2.91Å; I59-N62 VanDerWaalsContact O-CB 3.31Å; I59-N62 WeakPolarHBondContact O-CB 3.49Å; I59-N62 PolarHBondContact O-N 3.44Å; I59-V65 HydrophobicContact CG2-CG1 4.24Å; I59-V65 HydrophobicContact CG2-CG2 3.89Å; I59-C68 HydrophobicContact CG2-CB 3.96Å; I59-L82 HydrophobicContact CD1-CD2 4.06Å; I59-I84 HydrophobicContact CD1-CD1 3.72Å; I59-I84 HydrophobicContact CG2-CD1 4.25Å; I59-P95 HydrophobicContact CG2-CB 4.41Å; I59-F96 HydrophobicContact CD1-CD2 4.22Å
60M96.4Very high96.4Very high84 Ų8458.6 Ų58.641%0.41429%0.292SS..THydrogen-bonded Turntrans-66-13.3176.7-77.2-64.2-58.200114.1R56 Y57 M58 N62 V65 C68R56-M60 HydrophobicContact CG-CG 4.37Å; R56-M60 WeakPolarHBondContact O-CB 3.42Å; R56-M60 VanDerWaalsContact O-CG 3.3Å; R56-M60 WeakPolarHBondContact O-CG 3.27Å; R56-M60 PolarHBondContact O-N 3.49Å; Y57-M60 PolarHBondContact O-N 3.45Å; M58-M60 VanDerWaalsContact C-N 3.32Å; M58-M60 PolarHBondContact O-N 3.16Å; M60-N62 VanDerWaalsContact C-N 3.28Å; M60-V65 HydrophobicContact SD-CG1 4.46Å; M60-C68 HydrophobicContact CG-CB 3.93Å; M60-C68 HydrophobicContact SD-CB 3.61Å
61K95.7Very high96.4Very high128 Ų12857.8 Ų57.856%0.55729%0.288SS*.THydrogen-bonded Turntrans-74.9-20.4171.9-65-67.8-174.41730112.7Y57 M58 I59 P63Y57-K61 PolarHBondContact O-N 2.85Å; Y57-K61 WeakPolarHBondContact OH-CE 3.37Å; Y57-K61 PolarHBondContact OH-NZ 2.91Å; Y57-K61 VanDerWaalsContact OH-NZ 3.1Å; M58-K61 WeakPolarHBondContact O-CB 3.49Å; M58-K61 PolarHBondContact O-N 3.01Å; M58-K61 VanDerWaalsContact O-N 3.08Å; I59-K61 PolarHBondContact O-N 2.91Å; K61-P63 WeakPolarHBondContact O-CD 3.38Å
62N94.3Very high96.3Very high13 Ų1357.8 Ų57.87%0.0729%0.29CS..SBendtrans-75.4118.9179.4-174.8-5.7000110.3I59 M60 E64 V65I59-N62 VanDerWaalsContact O-CB 3.31Å; I59-N62 WeakPolarHBondContact O-CB 3.49Å; I59-N62 PolarHBondContact O-N 3.44Å; M60-N62 VanDerWaalsContact C-N 3.28Å; N62-E64 PolarHBondContact O-N 3.46Å; N62-E64 WeakPolarHBondContact OD1-CB 3.31Å; N62-E64 PolarHBondContact OD1-N 3.4Å; N62-V65 HydrophobicContact CB-CG2 3.94Å; N62-V65 WeakPolarHBondContact O-CB 3.17Å; N62-V65 PolarHBondContact O-N 2.96Å; N62-V65 VanDerWaalsContact O-N 3.1Å
63P94.9Very high96.1Very high100 Ų10060.7 Ų60.765%0.64931%0.307SS*.THydrogen-bonded Turntrans-64.1-21.4-177.726.7-36000113.8K61 V65K61-P63 WeakPolarHBondContact O-CD 3.38Å; P63-V65 PolarHBondContact O-N 2.96Å
64E94.2Very high95.9Very high91 Ų9161.4 Ų61.443%0.42531%0.308SS..THydrogen-bonded Turntrans-74.3-12.4178-58.5-54127.900113.1N62 T86 R87 L90N62-E64 PolarHBondContact O-N 3.46Å; N62-E64 WeakPolarHBondContact OD1-CB 3.31Å; N62-E64 PolarHBondContact OD1-N 3.4Å; E64-T86 VanDerWaalsContact O-CA 3.3Å; E64-T86 WeakPolarHBondContact O-CA 3.43Å; E64-R87 PolarHBondContact O-N 2.95Å; E64-L90 HydrophobicContact CB-CD2 4.16Å
65V96.2Very high95.6Very high9 Ų964.8 Ų64.86%0.05533%0.328CS..EExtended strand (participates in β ladder)trans-87.6123.5178.4177.40000109.4I59 M60 N62 P63 C68 P95I59-V65 HydrophobicContact CG2-CG1 4.24Å; I59-V65 HydrophobicContact CG2-CG2 3.89Å; M60-V65 HydrophobicContact SD-CG1 4.46Å; N62-V65 HydrophobicContact CB-CG2 3.94Å; N62-V65 WeakPolarHBondContact O-CB 3.17Å; N62-V65 PolarHBondContact O-N 2.96Å; N62-V65 VanDerWaalsContact O-N 3.1Å; P63-V65 PolarHBondContact O-N 2.96Å; V65-C68 HydrophobicContact CG1-CB 3.93Å; V65-P95 HydrophobicContact CG2-CB 3.65Å; V65-P95 HydrophobicContact CG2-CG 4.01Å
66E95.1Very high95.3Very high106 Ų10669.7 Ų69.750%0.49536%0.363SS..EExtended strand (participates in β ladder)trans-84.2-44.8173.4-171166.5-171.800111.3Q85 R87E66-Q85 PolarHBondContact N-O 3.32Å; E66-R87 HydrophobicContact CB-CG 3.63Å; E66-R87 HydrophobicContact CG-CG 4.22Å
67F95.8Very high95Very high100 Ų10069.4 Ų69.444%0.43937%0.365SS..EExtended strand (participates in β ladder)trans-141.8132.1-176.8179.9-90.8000110.6R83 I84 Q85F67-R83 HydrophobicContact CD1-CG 4.12Å; F67-R83 HydrophobicContact CE1-CB 4.07Å; F67-R83 HydrophobicContact CE1-CG 3.96Å; F67-I84 CarbonylContact O-C 3.58Å; F67-I84 WeakPolarHBondContact O-CA 3.43Å; F67-Q85 HydrophobicContact CB-CB 3.99Å; F67-Q85 HydrophobicContact CB-CG 4.07Å; F67-Q85 HydrophobicContact CD1-CG 4.25Å; F67-Q85 PolarHBondContact N-O 2.89Å; F67-Q85 VanDerWaalsContact N-O 3.16Å; F67-Q85 PolarHBondContact O-N 3.38Å
68C97.3Very high94.7Very high4 Ų467.3 Ų67.33%0.02737%0.37CS..EExtended strand (participates in β ladder)trans-141.1127.2167.5-177.60000110.6R56 I59 M60 V65 R83R56-C68 PolarHBondContact NE-O 3.43Å; I59-C68 HydrophobicContact CG2-CB 3.96Å; M60-C68 HydrophobicContact CG-CB 3.93Å; M60-C68 HydrophobicContact SD-CB 3.61Å; V65-C68 HydrophobicContact CG1-CB 3.93Å; C68-R83 VanDerWaalsContact CA-O 3.32Å; C68-R83 WeakPolarHBondContact CA-O 3.24Å
69G97.3Very high94.5Very high17 Ų1769 Ų6918%0.17538%0.376CS..EExtended strand (participates in β ladder)trans-155.3151.717900000111.3L82 R83G69-L82 CarbonylContact O-C 3.6Å; G69-L82 WeakPolarHBondContact O-CA 3.49Å; G69-R83 PolarHBondContact N-O 3.35Å; G69-R83 VanDerWaalsContact N-O 3.13Å; G69-R83 PolarHBondContact O-N 2.79Å
70Y97.4Very high94.5Very high53 Ų5368.9 Ų68.921%0.20838%0.376CS..EExtended strand (participates in β ladder)trans-123.6152.5174.781-80.9000110.9H49 G52 N53 R56 I80 N81H49-Y70 HydrophobicContact CB-CE2 4.39Å; H49-Y70 AromaticContact CE1-CE2 3.99Å; H49-Y70 AromaticContact ND1-CE2 3.27Å; H49-Y70 VanDerWaalsContact ND1-CE2 3.27Å; H49-Y70 WeakPolarHBondContact ND1-CE2 3.5Å; H49-Y70 AromaticContact ND1-CZ 3.5Å; H49-Y70 PolarHBondContact ND1-OH 3.32Å; G52-Y70 WeakPolarHBondContact O-CD1 3.42Å; N53-Y70 HydrophobicContact CB-CE1 3.93Å; R56-Y70 HydrophobicContact CB-CD1 4.22Å; Y70-I80 HydrophobicContact CD2-CB 4.41Å; Y70-I80 HydrophobicContact CD2-CG2 4.23Å; Y70-N81 CarbonylContact C-O 3.58Å; Y70-N81 WeakPolarHBondContact CA-O 3.32Å
71T96.4Very high94.5Very high84 Ų8467 Ų6752%0.51537%0.367SS..EExtended strand (participates in β ladder)trans-142.4140.8173.3-176.10000109.3I80 N81T71-I80 WeakPolarHBondContact O-CA 3.31Å; T71-N81 HydrophobicContact CG2-CB 3.93Å; T71-N81 PolarHBondContact N-O 2.99Å; T71-N81 PolarHBondContact O-N 3.48Å
72T93.6Very high94.6Very high43 Ų4360.9 Ų60.926%0.26434%0.341SS..EExtended strand (participates in β ladder)trans-76.8130.9168.442.40000108.5I80T72-I80 HydrophobicContact CG2-CG2 3.77Å
73T90.9Very high94.7Very high60 Ų6062.7 Ų62.737%0.36835%0.347SS..SBendtrans-62.9-46.8-177.548.20000111.5E77 K79 N81T73-E77 PolarHBondContact OG1-OE2 3.45Å; T73-K79 PolarHBondContact N-O 2.94Å; T73-N81 VanDerWaalsContact CG2-ND2 3.27Å; T73-N81 WeakPolarHBondContact CG2-ND2 3.46Å
74H92.8Very high94.8Very high99 Ų9958 Ų5846%0.45832%0.316SS..  trans-157.3141.6176.7-174.8-93.3000108.5S76 E77H74-S76 PolarHBondContact CE1-OG 2.93Å; H74-S76 VanDerWaalsContact ND1-CB 3.34Å; H74-S76 WeakPolarHBondContact ND1-CB 3.24Å; H74-S76 PolarHBondContact ND1-N 3.47Å; H74-S76 VanDerWaalsContact ND1-N 3.13Å; H74-S76 PolarHBondContact ND1-OG 3.23Å; H74-S76 PolarHBondContact O-N 2.97Å; H74-E77 HydrophobicContact CB-CG 4.28Å; H74-E77 PolarHBondContact O-N 3.04Å; H74-E77 VanDerWaalsContact O-O 3.06Å
75P91.4Very high94.8Very high123 Ų12356.3 Ų56.380%0.79931%0.308SS*.THydrogen-bonded Turntrans-57.9-24.9-178-2735.4000115.2E77P75-E77 VanDerWaalsContact C-N 3.34Å
76S92Very high94.8Very high104 Ų10456 Ų5673%0.72731%0.307SS*.THydrogen-bonded Turntrans-83.9-5.6176.5-48.30000114.2H74H74-S76 PolarHBondContact CE1-OG 2.93Å; H74-S76 VanDerWaalsContact ND1-CB 3.34Å; H74-S76 WeakPolarHBondContact ND1-CB 3.24Å; H74-S76 PolarHBondContact ND1-N 3.47Å; H74-S76 VanDerWaalsContact ND1-N 3.13Å; H74-S76 PolarHBondContact ND1-OG 3.23Å; H74-S76 PolarHBondContact O-N 2.97Å
77E89.9Confident94.5Very high87 Ų8758.5 Ų58.541%0.40731%0.311SS..SBendtrans-113.1124.9176.8-63.4-169.9160.400109.9T73 H74 P75 K79T73-E77 PolarHBondContact OG1-OE2 3.45Å; H74-E77 HydrophobicContact CB-CG 4.28Å; H74-E77 PolarHBondContact O-N 3.04Å; H74-E77 VanDerWaalsContact O-O 3.06Å; P75-E77 VanDerWaalsContact C-N 3.34Å; E77-K79 PolarHBondContact O-N 3.23Å; E77-K79 IonicContact OE1-NZ 2.71Å; E77-K79 PolarHBondContact OE1-NZ 3.33Å; E77-K79 VanDerWaalsContact OE2-CE 3.3Å; E77-K79 WeakPolarHBondContact OE2-CE 3.5Å; E77-K79 IonicContact OE2-NZ 2.75Å; E77-K79 PolarHBondContact OE2-NZ 3.22Å
78S92.2Very high94Very high85 Ų8555.5 Ų55.559%0.59431%0.308SS*.  trans-77.971.9172.3-55.50000110.1E46E46-S78 PolarHBondContact N-O 3.1Å
79K94.1Very high93.4Very high57 Ų5762.1 Ų62.125%0.24835%0.349CS..EExtended strand (participates in β ladder)trans-143.3135.2177.4-80.7177.4-101.1157.80110.4V43 L44 T73 E77V43-K79 HydrophobicContact CG1-CD 4.39Å; L44-K79 WeakPolarHBondContact O-CA 3.49Å; T73-K79 PolarHBondContact N-O 2.94Å; E77-K79 PolarHBondContact O-N 3.23Å; E77-K79 IonicContact OE1-NZ 2.71Å; E77-K79 PolarHBondContact OE1-NZ 3.33Å; E77-K79 VanDerWaalsContact OE2-CE 3.3Å; E77-K79 WeakPolarHBondContact OE2-CE 3.5Å; E77-K79 IonicContact OE2-NZ 2.75Å; E77-K79 PolarHBondContact OE2-NZ 3.22Å
80I96.4Very high93Very high0 Ų063.3 Ų63.30%035%0.351CS..EExtended strand (participates in β ladder)trans-118.6138.7168.762173.9000111.2V43 L44 E47 Y70 T71 T72V43-I80 WeakPolarHBondContact CA-O 3.41Å; L44-I80 HydrophobicContact CB-CD1 4.29Å; L44-I80 HydrophobicContact CB-CG1 3.71Å; L44-I80 HydrophobicContact CD1-CD1 3.8Å; L44-I80 HydrophobicContact CD1-CG1 4.02Å; L44-I80 HydrophobicContact CG-CG1 4.39Å; L44-I80 PolarHBondContact N-O 3.36Å; L44-I80 PolarHBondContact O-N 2.92Å; E47-I80 HydrophobicContact CB-CD1 4.13Å; E47-I80 HydrophobicContact CB-CG1 4.14Å; Y70-I80 HydrophobicContact CD2-CB 4.41Å; Y70-I80 HydrophobicContact CD2-CG2 4.23Å; T71-I80 WeakPolarHBondContact O-CA 3.31Å; T72-I80 HydrophobicContact CG2-CG2 3.77Å
81N96.8Very high92.8Very high43 Ų4362.8 Ų62.823%0.2335%0.354CS..EExtended strand (participates in β ladder)trans-99.3107.2171.4-68-22.5000108.6T41 Y70 T71 T73T41-N81 HydrophobicContact CG2-CB 3.94Å; Y70-N81 CarbonylContact C-O 3.58Å; Y70-N81 WeakPolarHBondContact CA-O 3.32Å; T71-N81 HydrophobicContact CG2-CB 3.93Å; T71-N81 PolarHBondContact N-O 2.99Å; T71-N81 PolarHBondContact O-N 3.48Å; T73-N81 VanDerWaalsContact CG2-ND2 3.27Å; T73-N81 WeakPolarHBondContact CG2-ND2 3.46Å
82L97.4Very high92.7Very high1 Ų158.8 Ų58.81%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-97.7107.8175.9-177.873000109.7T41 F42 L55 I59 G69 I84 F96T41-L82 WeakPolarHBondContact CA-O 3.34Å; F42-L82 HydrophobicContact CB-CB 4.39Å; F42-L82 PolarHBondContact N-O 2.94Å; F42-L82 PolarHBondContact O-N 2.94Å; L55-L82 HydrophobicContact CD2-CD2 3.86Å; L55-L82 HydrophobicContact CG-CD2 4.33Å; I59-L82 HydrophobicContact CD1-CD2 4.06Å; G69-L82 CarbonylContact O-C 3.6Å; G69-L82 WeakPolarHBondContact O-CA 3.49Å; L82-I84 HydrophobicContact CD2-CD1 4.2Å; L82-I84 HydrophobicContact CG-CG1 4.34Å; L82-F96 HydrophobicContact CD2-CD2 3.83Å; L82-F96 HydrophobicContact CD2-CE2 3.74Å
83R96.8Very high92.8Very high51 Ų5159.4 Ų59.419%0.19233%0.333CS..EExtended strand (participates in β ladder)trans-90.8126.9177.8-175.575.3168.589.91.6109.6C39 V40 T41 F67 C68 G69 Q85C39-R83 VanDerWaalsContact CB-NH1 3.33Å; V40-R83 VanDerWaalsContact N-NH1 3.13Å; T41-R83 WeakPolarHBondContact OG1-CD 3.17Å; F67-R83 HydrophobicContact CD1-CG 4.12Å; F67-R83 HydrophobicContact CE1-CB 4.07Å; F67-R83 HydrophobicContact CE1-CG 3.96Å; C68-R83 VanDerWaalsContact CA-O 3.32Å; C68-R83 WeakPolarHBondContact CA-O 3.24Å; G69-R83 PolarHBondContact N-O 3.35Å; G69-R83 VanDerWaalsContact N-O 3.13Å; G69-R83 PolarHBondContact O-N 2.79Å; R83-Q85 VanDerWaalsContact NH2-NE2 3.14Å
84I96.2Very high93Very high0 Ų060.7 Ų60.70%034%0.335CS..EExtended strand (participates in β ladder)trans-123134.7173.8-58.1175.2000109.2V40 F42 I59 F67 L82 A92 F96V40-I84 PolarHBondContact N-O 3.43Å; V40-I84 VanDerWaalsContact N-O 3.12Å; V40-I84 PolarHBondContact O-N 2.93Å; F42-I84 HydrophobicContact CD2-CD1 3.97Å; F42-I84 HydrophobicContact CD2-CG1 4.35Å; F42-I84 HydrophobicContact CE2-CB 4.37Å; F42-I84 HydrophobicContact CE2-CD1 3.78Å; F42-I84 HydrophobicContact CE2-CG1 4.31Å; I59-I84 HydrophobicContact CD1-CD1 3.72Å; I59-I84 HydrophobicContact CG2-CD1 4.25Å; F67-I84 CarbonylContact O-C 3.58Å; F67-I84 WeakPolarHBondContact O-CA 3.43Å; L82-I84 HydrophobicContact CD2-CD1 4.2Å; L82-I84 HydrophobicContact CG-CG1 4.34Å; I84-A92 HydrophobicContact CB-CB 4.16Å; I84-A92 HydrophobicContact CG2-CB 3.96Å; I84-F96 HydrophobicContact CD1-CB 3.83Å; I84-F96 HydrophobicContact CD1-CD2 3.97Å; I84-F96 HydrophobicContact CD1-CG 4.37Å
85Q95.3Very high93.1Very high56 Ų5656 Ų5626%0.26231%0.313SS..EExtended strand (participates in β ladder)trans-129.7124.9172-50-175.4-0.400108.6H38 C39 E66 F67 R83H38-Q85 WeakPolarHBondContact O-CA 3.35Å; C39-Q85 VanDerWaalsContact SG-CG 3.56Å; E66-Q85 PolarHBondContact N-O 3.32Å; F67-Q85 HydrophobicContact CB-CB 3.99Å; F67-Q85 HydrophobicContact CB-CG 4.07Å; F67-Q85 HydrophobicContact CD1-CG 4.25Å; F67-Q85 PolarHBondContact N-O 2.89Å; F67-Q85 VanDerWaalsContact N-O 3.16Å; F67-Q85 PolarHBondContact O-N 3.38Å; R83-Q85 VanDerWaalsContact NH2-NE2 3.14Å
86T94.9Very high93.4Very high4 Ų450.9 Ų50.93%0.02528%0.279CS..EExtended strand (participates in β ladder)trans-96150174.549.40000110.5H38 E64 G88 L90 P95H38-T86 WeakPolarHBondContact CA-OG1 3.47Å; H38-T86 VanDerWaalsContact CB-OG1 3.29Å; H38-T86 WeakPolarHBondContact CB-OG1 3.46Å; H38-T86 PolarHBondContact O-N 3.49Å; H38-T86 PolarHBondContact O-OG1 3.08Å; E64-T86 VanDerWaalsContact O-CA 3.3Å; E64-T86 WeakPolarHBondContact O-CA 3.43Å; T86-G88 VanDerWaalsContact C-N 3.28Å; T86-G88 PolarHBondContact O-N 3.38Å; T86-L90 HydrophobicContact CG2-CD2 4.28Å; T86-L90 PolarHBondContact OG1-O 3.1Å; T86-P95 HydrophobicContact CG2-CG 3.63Å
87R90.7Very high93.6Very high158 Ų15851.5 Ų51.560%0.59627%0.27SS*.SBendtrans-71.4-20.5-178-67.2-179.3179.4-74.4-4.6113.9E64 E66E64-R87 PolarHBondContact O-N 2.95Å; E66-R87 HydrophobicContact CB-CG 3.63Å; E66-R87 HydrophobicContact CG-CG 4.22Å
88G84.2Confident93.9Very high36 Ų3652.8 Ų52.837%0.37127%0.271SS..SBendtrans-127.9-154.6-171.600000113.2T86 L90T86-G88 VanDerWaalsContact C-N 3.28Å; T86-G88 PolarHBondContact O-N 3.38Å; G88-L90 PolarHBondContact O-N 2.93Å
89T84.1Confident94.2Very high144 Ų14448.8 Ų48.888%0.88324%0.243SC*.SBendtrans-81.5-2.3179.253.30000113.6
90L89.4Confident94.3Very high42 Ų4249 Ų4922%0.2225%0.247CC..SBendtrans-62126.4178.4-167.684.5000109.9E64 T86 G88 E94 P95E64-L90 HydrophobicContact CB-CD2 4.16Å; T86-L90 HydrophobicContact CG2-CD2 4.28Å; T86-L90 PolarHBondContact OG1-O 3.1Å; G88-L90 PolarHBondContact O-N 2.93Å; L90-E94 HydrophobicContact CD1-CB 4.48Å; L90-E94 VanDerWaalsContact CD1-OE2 3.24Å; L90-E94 WeakPolarHBondContact CD1-OE2 3.45Å; L90-E94 HydrophobicContact CD2-CB 4.3Å; L90-E94 HydrophobicContact CG-CB 4.3Å; L90-P95 HydrophobicContact CD2-CG 3.74Å
91P93.3Very high94.4Very high42 Ų4253.1 Ų53.127%0.27327%0.269SS..  trans-65.7139.9176.327.5-33.3000110.7V93 E94 P95P91-V93 PolarHBondContact O-N 3.36Å; P91-E94 HydrophobicContact CG-CG 4.14Å; P91-E94 WeakPolarHBondContact CG-OE1 3.34Å; P91-E94 PolarHBondContact O-N 2.98Å; P91-E94 VanDerWaalsContact O-N 3.08Å; P91-P95 VanDerWaalsContact O-CD 3.24Å; P91-P95 WeakPolarHBondContact O-CD 3.09Å
92A94Very high94.5Very high0 Ų054.6 Ų54.60%027%0.274CS..THydrogen-bonded Turntrans-63-14.5-177.400000114.2R37 V40 F42 I84 E94 P95 F96R37-A92 PolarHBondContact O-N 2.9Å; V40-A92 HydrophobicContact CB-CB 4.08Å; V40-A92 HydrophobicContact CG2-CB 4Å; F42-A92 HydrophobicContact CE2-CB 4.37Å; I84-A92 HydrophobicContact CB-CB 4.16Å; I84-A92 HydrophobicContact CG2-CB 3.96Å; A92-E94 VanDerWaalsContact C-N 3.32Å; A92-P95 WeakPolarHBondContact O-CD 3.47Å; A92-F96 WeakPolarHBondContact O-CB 3.29Å; A92-F96 PolarHBondContact O-N 3.21Å
93V95.1Very high94.5Very high55 Ų5556 Ų5633%0.33328%0.281SS..Hα-helixtrans-65.4-35.1174.7-177.50000111.8M29 F42 P91 F96 Q97M29-V93 HydrophobicContact CE-CG2 3.36Å; M29-V93 HydrophobicContact SD-CG2 4.38Å; F42-V93 HydrophobicContact CE1-CG2 4.37Å; F42-V93 HydrophobicContact CZ-CG2 4.16Å; P91-V93 PolarHBondContact O-N 3.36Å; V93-F96 WeakPolarHBondContact O-CB 3.45Å; V93-F96 PolarHBondContact O-N 3.36Å; V93-Q97 PolarHBondContact O-N 3.38Å
94E95.2Very high94.5Very high88 Ų8859.6 Ų59.641%0.41130%0.302SS..Hα-helixtrans-67.2-50.7-177.5-78.3-175.9-134.900112.5L90 P91 A92 F96 Q97 R98L90-E94 HydrophobicContact CD1-CB 4.48Å; L90-E94 VanDerWaalsContact CD1-OE2 3.24Å; L90-E94 WeakPolarHBondContact CD1-OE2 3.45Å; L90-E94 HydrophobicContact CD2-CB 4.3Å; L90-E94 HydrophobicContact CG-CB 4.3Å; P91-E94 HydrophobicContact CG-CG 4.14Å; P91-E94 WeakPolarHBondContact CG-OE1 3.34Å; P91-E94 PolarHBondContact O-N 2.98Å; P91-E94 VanDerWaalsContact O-N 3.08Å; A92-E94 VanDerWaalsContact C-N 3.32Å; E94-F96 VanDerWaalsContact C-N 3.25Å; E94-F96 PolarHBondContact O-N 3.34Å; E94-Q97 PolarHBondContact O-N 3.36Å; E94-R98 WeakPolarHBondContact O-CB 3.11Å; E94-R98 PolarHBondContact O-N 3.34Å
95P95.9Very high94.6Very high1 Ų163.3 Ų63.31%0.00633%0.328CS..Hα-helixtrans-59.5-35.1171.9-24.733.2000113.5I59 V65 T86 L90 P91 A92 G99I59-P95 HydrophobicContact CG2-CB 4.41Å; V65-P95 HydrophobicContact CG2-CB 3.65Å; V65-P95 HydrophobicContact CG2-CG 4.01Å; T86-P95 HydrophobicContact CG2-CG 3.63Å; L90-P95 HydrophobicContact CD2-CG 3.74Å; P91-P95 VanDerWaalsContact O-CD 3.24Å; P91-P95 WeakPolarHBondContact O-CD 3.09Å; A92-P95 WeakPolarHBondContact O-CD 3.47Å; P95-G99 PolarHBondContact O-N 3.08Å
96F96.7Very high94.8Very high15 Ų1564 Ų647%0.06634%0.336CS..Hα-helixtrans-62.6-51.8177.3178.7-104.3000111.5L27 F42 L44 L55 I59 L82 I84 A92 V93 E94 R98 G99 L100L27-F96 HydrophobicContact CD1-CZ 4.3Å; L27-F96 HydrophobicContact CD2-CE1 4.21Å; F42-F96 HydrophobicContact CB-CE2 4.45Å; F42-F96 HydrophobicContact CD1-CD1 4.44Å; F42-F96 HydrophobicContact CD1-CE1 4.47Å; F42-F96 HydrophobicContact CD1-CG 4.5Å; F42-F96 HydrophobicContact CD2-CD2 4.2Å; F42-F96 HydrophobicContact CD2-CG 4.47Å; F42-F96 HydrophobicContact CE1-CD1 4.23Å; F42-F96 HydrophobicContact CE1-CG 4.3Å; F42-F96 HydrophobicContact CE2-CB 4.18Å; F42-F96 HydrophobicContact CE2-CD2 4.43Å; F42-F96 HydrophobicContact CE2-CG 4.31Å; F42-F96 HydrophobicContact CG-CD2 4.29Å; F42-F96 HydrophobicContact CG-CE2 4.33Å; F42-F96 HydrophobicContact CZ-CB 4.09Å; F42-F96 HydrophobicContact CZ-CG 4.21Å; L44-F96 HydrophobicContact CD2-CZ 4.29Å; L55-F96 HydrophobicContact CD2-CD2 4.27Å; L55-F96 HydrophobicContact CD2-CE2 3.72Å; L55-F96 HydrophobicContact CD2-CZ 4.5Å; I59-F96 HydrophobicContact CD1-CD2 4.22Å; L82-F96 HydrophobicContact CD2-CD2 3.83Å; L82-F96 HydrophobicContact CD2-CE2 3.74Å; I84-F96 HydrophobicContact CD1-CB 3.83Å; I84-F96 HydrophobicContact CD1-CD2 3.97Å; I84-F96 HydrophobicContact CD1-CG 4.37Å; A92-F96 WeakPolarHBondContact O-CB 3.29Å; A92-F96 PolarHBondContact O-N 3.21Å; V93-F96 WeakPolarHBondContact O-CB 3.45Å; V93-F96 PolarHBondContact O-N 3.36Å; E94-F96 VanDerWaalsContact C-N 3.25Å; E94-F96 PolarHBondContact O-N 3.34Å; F96-R98 PolarHBondContact O-N 3Å; F96-G99 PolarHBondContact O-N 3.38Å; F96-L100 HydrophobicContact CD1-CD1 4.08Å; F96-L100 HydrophobicContact CE1-CD1 3.58Å; F96-L100 HydrophobicContact CE2-CD1 4.47Å; F96-L100 HydrophobicContact CZ-CD1 3.81Å; F96-L100 PolarHBondContact O-N 3.18Å; F96-L100 VanDerWaalsContact O-N 3.1Å
97Q96.9Very high94.9Very high117 Ų11767.4 Ų67.455%0.54736%0.359SS..Hα-helixtrans-64.6-40.9178.4-172.8179.14.500111.9V93 E94 L100 N101V93-Q97 PolarHBondContact O-N 3.38Å; E94-Q97 PolarHBondContact O-N 3.36Å; Q97-L100 PolarHBondContact O-N 3.2Å; Q97-N101 PolarHBondContact O-N 3.08Å; Q97-N101 VanDerWaalsContact O-N 3.08Å; Q97-N101 PolarHBondContact O-ND2 3.48Å
98R97Very high95.3Very high113 Ų11364.7 Ų64.743%0.42635%0.353SS..Hα-helixtrans-59.9-47.6175.1-176.3178.7-63170.41.7111.2E94 F96 L100 N101 E102E94-R98 WeakPolarHBondContact O-CB 3.11Å; E94-R98 PolarHBondContact O-N 3.34Å; F96-R98 PolarHBondContact O-N 3Å; R98-L100 VanDerWaalsContact C-N 3.31Å; R98-L100 PolarHBondContact O-N 3.34Å; R98-N101 PolarHBondContact O-N 3.35Å; R98-E102 WeakPolarHBondContact CD-OE1 3.48Å; R98-E102 HydrophobicContact CG-CG 4.24Å; R98-E102 VanDerWaalsContact CG-OE1 3.27Å; R98-E102 WeakPolarHBondContact CG-OE1 3.3Å; R98-E102 WeakPolarHBondContact O-CB 3.18Å; R98-E102 WeakPolarHBondContact O-CG 3.49Å; R98-E102 PolarHBondContact O-N 3.3Å
99G97.3Very high96Very high1 Ų168 Ų681%0.0136%0.359CS..Hα-helixtrans-59.6-38.9178.900000113.2P95 F96 L103P95-G99 PolarHBondContact O-N 3.08Å; F96-G99 PolarHBondContact O-N 3.38Å; G99-L103 VanDerWaalsContact O-CB 3.31Å; G99-L103 WeakPolarHBondContact O-CB 3.43Å; G99-L103 PolarHBondContact O-N 3.21Å
100L97.8Very high96.7Very high62 Ų6265.5 Ų65.533%0.32534%0.343SS..Hα-helixtrans-64.3-47.6174.5-74.3170.3000112.1L55 F96 Q97 R98 L103 M104L55-L100 HydrophobicContact CD1-CD2 3.83Å; L55-L100 HydrophobicContact CD1-CG 3.95Å; L55-L100 HydrophobicContact CD2-CD2 3.83Å; L55-L100 HydrophobicContact CD2-CG 4.31Å; L55-L100 HydrophobicContact CG-CD2 4.46Å; F96-L100 HydrophobicContact CD1-CD1 4.08Å; F96-L100 HydrophobicContact CE1-CD1 3.58Å; F96-L100 HydrophobicContact CE2-CD1 4.47Å; F96-L100 HydrophobicContact CZ-CD1 3.81Å; F96-L100 PolarHBondContact O-N 3.18Å; F96-L100 VanDerWaalsContact O-N 3.1Å; Q97-L100 PolarHBondContact O-N 3.2Å; R98-L100 VanDerWaalsContact C-N 3.31Å; R98-L100 PolarHBondContact O-N 3.34Å; L100-L103 PolarHBondContact O-N 3.28Å; L100-M104 WeakPolarHBondContact O-CB 3.34Å; L100-M104 PolarHBondContact O-N 2.79Å
101N98.1Very high97.1Very high86 Ų8667.1 Ų67.146%0.4635%0.352SS..Hα-helixtrans-64.6-41.4179.8-73-25.1000112.1Q97 R98 M104 S105Q97-N101 PolarHBondContact O-N 3.08Å; Q97-N101 VanDerWaalsContact O-N 3.08Å; Q97-N101 PolarHBondContact O-ND2 3.48Å; R98-N101 PolarHBondContact O-N 3.35Å; N101-M104 PolarHBondContact O-N 3.36Å; N101-S105 PolarHBondContact O-N 2.96Å
102E97.6Very high97.3Very high75 Ų7569 Ų6935%0.3536%0.359SS..Hα-helixtrans-65.7-42.2176.5-71.4177.3-176.700111.4M58 R98 M104 S105 V106M58-E102 HydrophobicContact CE-CB 3.57Å; R98-E102 WeakPolarHBondContact CD-OE1 3.48Å; R98-E102 HydrophobicContact CG-CG 4.24Å; R98-E102 VanDerWaalsContact CG-OE1 3.27Å; R98-E102 WeakPolarHBondContact CG-OE1 3.3Å; R98-E102 WeakPolarHBondContact O-CB 3.18Å; R98-E102 WeakPolarHBondContact O-CG 3.49Å; R98-E102 PolarHBondContact O-N 3.3Å; E102-M104 VanDerWaalsContact C-N 3.33Å; E102-M104 PolarHBondContact O-N 2.93Å; E102-S105 PolarHBondContact O-N 2.93Å; E102-V106 WeakPolarHBondContact O-CG2 3.41Å; E102-V106 PolarHBondContact O-N 3.36Å
103L97.9Very high97.6Very high29 Ų2974.8 Ų74.815%0.15239%0.385CS..Hα-helixtrans-59.8-45.2175-176.758.2000111.2L51 M58 G99 L100 S105 V106 C107L51-L103 HydrophobicContact CD1-CD2 4.12Å; M58-L103 HydrophobicContact CG-CB 3.98Å; M58-L103 HydrophobicContact CG-CD1 4.02Å; G99-L103 VanDerWaalsContact O-CB 3.31Å; G99-L103 WeakPolarHBondContact O-CB 3.43Å; G99-L103 PolarHBondContact O-N 3.21Å; L100-L103 PolarHBondContact O-N 3.28Å; L103-S105 VanDerWaalsContact C-N 3.33Å; L103-S105 PolarHBondContact O-N 2.81Å; L103-V106 PolarHBondContact O-N 2.82Å; L103-C107 PolarHBondContact O-N 2.9Å; L103-C107 PolarHBondContact O-SG 2.84Å; L103-C107 VanDerWaalsContact O-SG 3.34Å
104M98.1Very high97.7Very high127 Ų12778.4 Ų78.463%0.62640%0.396SS*.Hα-helixtrans-60.2-43.2176.4-173.6175.166.600111.6L100 N101 E102 V106 C107 Q108L100-M104 WeakPolarHBondContact O-CB 3.34Å; L100-M104 PolarHBondContact O-N 2.79Å; N101-M104 PolarHBondContact O-N 3.36Å; E102-M104 VanDerWaalsContact C-N 3.33Å; E102-M104 PolarHBondContact O-N 2.93Å; M104-V106 VanDerWaalsContact C-N 3.35Å; M104-V106 PolarHBondContact O-N 3.16Å; M104-C107 PolarHBondContact O-N 3.21Å; M104-Q108 PolarHBondContact O-N 2.79Å
105S98.1Very high97.9Very high78 Ų7879.5 Ų79.555%0.54540%0.401SS..Hα-helixtrans-63.6-38.5176.5-174.10000112.6N101 E102 L103 H109N101-S105 PolarHBondContact O-N 2.96Å; E102-S105 PolarHBondContact O-N 2.93Å; L103-S105 VanDerWaalsContact C-N 3.33Å; L103-S105 PolarHBondContact O-N 2.81Å; S105-H109 WeakPolarHBondContact O-CB 3.3Å; S105-H109 PolarHBondContact O-N 3.05Å
106V98.1Very high98Very high71 Ų7182.3 Ų82.343%0.4342%0.424SS..Hα-helixtrans-64.6-46.8175.61700000110.2M58 E102 L103 M104 Q108 H109 V110M58-V106 HydrophobicContact CE-CG2 3.95Å; E102-V106 WeakPolarHBondContact O-CG2 3.41Å; E102-V106 PolarHBondContact O-N 3.36Å; L103-V106 PolarHBondContact O-N 2.82Å; M104-V106 VanDerWaalsContact C-N 3.35Å; M104-V106 PolarHBondContact O-N 3.16Å; V106-Q108 VanDerWaalsContact C-N 3.34Å; V106-Q108 PolarHBondContact O-N 3Å; V106-H109 PolarHBondContact O-N 3.18Å; V106-V110 HydrophobicContact CG1-CG2 4.38Å; V106-V110 WeakPolarHBondContact O-CG2 3.47Å; V106-V110 PolarHBondContact O-N 3.27Å
107C98.1Very high98.1Very high75 Ų7585.3 Ų85.351%0.50745%0.447SS..Hα-helixtrans-59.3-44177.5-69.40000112.1L103 M104 H109 V110 L111L103-C107 PolarHBondContact O-N 2.9Å; L103-C107 PolarHBondContact O-SG 2.84Å; L103-C107 VanDerWaalsContact O-SG 3.34Å; M104-C107 PolarHBondContact O-N 3.21Å; C107-H109 PolarHBondContact O-N 3.37Å; C107-V110 PolarHBondContact O-N 2.72Å; C107-L111 PolarHBondContact O-N 2.67Å
108Q98.4Very high98.2Very high101 Ų10182.8 Ų82.847%0.47244%0.437SS..Hα-helixtrans-60.5-46.3176.3-173.161.95400111.3M104 V106 V110 L111 D112M104-Q108 PolarHBondContact O-N 2.79Å; V106-Q108 VanDerWaalsContact C-N 3.34Å; V106-Q108 PolarHBondContact O-N 3Å; Q108-V110 VanDerWaalsContact C-N 3.33Å; Q108-V110 PolarHBondContact O-N 2.74Å; Q108-L111 PolarHBondContact O-N 3.42Å; Q108-D112 PolarHBondContact NE2-OD1 2.94Å; Q108-D112 PolarHBondContact O-N 3.3Å
109H98.5Very high98.2Very high106 Ų10683.9 Ų83.949%0.49145%0.445SS..Hα-helixtrans-61.9-41.4179-171.672.7000112.5S105 V106 C107 L111 K113S105-H109 WeakPolarHBondContact O-CB 3.3Å; S105-H109 PolarHBondContact O-N 3.05Å; V106-H109 PolarHBondContact O-N 3.18Å; C107-H109 PolarHBondContact O-N 3.37Å; H109-L111 VanDerWaalsContact C-N 3.34Å; H109-K113 VanDerWaalsContact CE1-CE 3.41Å; H109-K113 WeakPolarHBondContact CE1-CE 3.41Å; H109-K113 VanDerWaalsContact O-CG 3.28Å; H109-K113 WeakPolarHBondContact O-CG 3.49Å; H109-K113 PolarHBondContact O-N 3.05Å; H109-K113 VanDerWaalsContact O-N 3.14Å
110V98.5Very high98.3Very high91 Ų9188 Ų8855%0.55247%0.466SS*.Hα-helixtrans-62.5-43.3176.9170.70000110.8V106 C107 Q108 K113 F114V106-V110 HydrophobicContact CG1-CG2 4.38Å; V106-V110 WeakPolarHBondContact O-CG2 3.47Å; V106-V110 PolarHBondContact O-N 3.27Å; C107-V110 PolarHBondContact O-N 2.72Å; Q108-V110 VanDerWaalsContact C-N 3.33Å; Q108-V110 PolarHBondContact O-N 2.74Å; V110-K113 PolarHBondContact O-N 3.18Å; V110-F114 WeakPolarHBondContact O-CB 3.48Å; V110-F114 PolarHBondContact O-N 3.1Å
111L98.6Very high98.3Very high77 Ų7791.9 Ų91.940%0.40348%0.478SS..Hα-helixtrans-61.4-51.1177.9-179.261.6000111.5C107 Q108 H109 K113 F114 E115C107-L111 PolarHBondContact O-N 2.67Å; Q108-L111 PolarHBondContact O-N 3.42Å; H109-L111 VanDerWaalsContact C-N 3.34Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 3.49Å; L111-F114 PolarHBondContact O-N 3.08Å; L111-F114 VanDerWaalsContact O-N 3.12Å; L111-E115 HydrophobicContact CD1-CG 4.08Å; L111-E115 HydrophobicContact CG-CG 4.47Å; L111-E115 WeakPolarHBondContact O-CG 3.46Å; L111-E115 PolarHBondContact O-N 3.04Å
112D98.6Very high98.3Very high80 Ų8094.2 Ų94.243%0.42848%0.484SS..Hα-helixtrans-57.7-42.8-178.9-63.4-16.2000111.6Q108 A116Q108-D112 PolarHBondContact NE2-OD1 2.94Å; Q108-D112 PolarHBondContact O-N 3.3Å; D112-A116 WeakPolarHBondContact O-CB 3.17Å; D112-A116 PolarHBondContact O-N 3.1Å; D112-A116 VanDerWaalsContact O-N 3.09Å
113K98.8Very high98.2Very high123 Ų12394.7 Ų94.754%0.53549%0.489SS..Hα-helixtrans-67.1-42.8177.9-68.7-61.7-178.1-173.70111.8H109 V110 L111 A116 S117H109-K113 VanDerWaalsContact CE1-CE 3.41Å; H109-K113 WeakPolarHBondContact CE1-CE 3.41Å; H109-K113 VanDerWaalsContact O-CG 3.28Å; H109-K113 WeakPolarHBondContact O-CG 3.49Å; H109-K113 PolarHBondContact O-N 3.05Å; H109-K113 VanDerWaalsContact O-N 3.14Å; V110-K113 PolarHBondContact O-N 3.18Å; L111-K113 VanDerWaalsContact C-N 3.28Å; L111-K113 PolarHBondContact O-N 3.49Å; K113-A116 PolarHBondContact O-N 3.02Å; K113-S117 WeakPolarHBondContact O-CB 3.19Å; K113-S117 PolarHBondContact O-N 2.83Å; K113-S117 PolarHBondContact O-OG 2.82Å
114F98.6Very high98.1Very high130 Ų13098.4 Ų98.457%0.5751%0.505SS*.Hα-helixtrans-63-47.9179-179.3-102.3000111.6V110 L111 A116 S117 I118V110-F114 WeakPolarHBondContact O-CB 3.48Å; V110-F114 PolarHBondContact O-N 3.1Å; L111-F114 PolarHBondContact O-N 3.08Å; L111-F114 VanDerWaalsContact O-N 3.12Å; F114-A116 PolarHBondContact O-N 3.45Å; F114-S117 PolarHBondContact O-N 2.94Å; F114-I118 HydrophobicContact CD1-CG1 4.21Å; F114-I118 HydrophobicContact CD2-CG1 4.4Å; F114-I118 HydrophobicContact CE1-CD1 4.48Å; F114-I118 HydrophobicContact CE1-CG1 3.81Å; F114-I118 HydrophobicContact CE2-CD1 4.16Å; F114-I118 HydrophobicContact CE2-CG1 4.02Å; F114-I118 HydrophobicContact CG-CG1 4.5Å; F114-I118 HydrophobicContact CZ-CD1 3.92Å; F114-I118 HydrophobicContact CZ-CG1 3.71Å; F114-I118 WeakPolarHBondContact O-CG1 3.3Å; F114-I118 PolarHBondContact O-N 3.02Å
115E98.4Very high98.1Very high112 Ų11298 Ų9852%0.52350%0.5SS..Hα-helixtrans-61.7-43178.6-70.4-175.5165.100112.1L111 S117 I118 K119L111-E115 HydrophobicContact CD1-CG 4.08Å; L111-E115 HydrophobicContact CG-CG 4.47Å; L111-E115 WeakPolarHBondContact O-CG 3.46Å; L111-E115 PolarHBondContact O-N 3.04Å; E115-S117 PolarHBondContact O-N 2.81Å; E115-I118 PolarHBondContact O-N 3.12Å; E115-K119 WeakPolarHBondContact O-CB 3.26Å; E115-K119 PolarHBondContact O-N 2.82Å
116A98.4Very high97.9Very high60 Ų6096.8 Ų96.850%0.49650%0.495SS..Hα-helixtrans-60.1-46175.600000112D112 K113 F114 K119 D120D112-A116 WeakPolarHBondContact O-CB 3.17Å; D112-A116 PolarHBondContact O-N 3.1Å; D112-A116 VanDerWaalsContact O-N 3.09Å; K113-A116 PolarHBondContact O-N 3.02Å; F114-A116 PolarHBondContact O-N 3.45Å; A116-K119 PolarHBondContact O-N 3.07Å; A116-D120 WeakPolarHBondContact O-CB 3.27Å; A116-D120 PolarHBondContact O-N 3.33Å
117S98.4Very high97.6Very high77 Ų7796.6 Ų96.654%0.53850%0.497SS..Hα-helixtrans-66.9-36.6178.3-66.50000113K113 F114 E115 Y121K113-S117 WeakPolarHBondContact O-CB 3.19Å; K113-S117 PolarHBondContact O-N 2.83Å; K113-S117 PolarHBondContact O-OG 2.82Å; F114-S117 PolarHBondContact O-N 2.94Å; E115-S117 PolarHBondContact O-N 2.81Å; S117-Y121 WeakPolarHBondContact O-CB 3.22Å; S117-Y121 PolarHBondContact O-N 2.71Å
118I98.4Very high97.2Very high65 Ų65102.1 Ų102.133%0.33351%0.507SS..Hα-helixtrans-67.4-40175.9-71.7-66.2000111.2F114 E115 K122F114-I118 HydrophobicContact CD1-CG1 4.21Å; F114-I118 HydrophobicContact CD2-CG1 4.4Å; F114-I118 HydrophobicContact CE1-CD1 4.48Å; F114-I118 HydrophobicContact CE1-CG1 3.81Å; F114-I118 HydrophobicContact CE2-CD1 4.16Å; F114-I118 HydrophobicContact CE2-CG1 4.02Å; F114-I118 HydrophobicContact CG-CG1 4.5Å; F114-I118 HydrophobicContact CZ-CD1 3.92Å; F114-I118 HydrophobicContact CZ-CG1 3.71Å; F114-I118 WeakPolarHBondContact O-CG1 3.3Å; F114-I118 PolarHBondContact O-N 3.02Å; E115-I118 PolarHBondContact O-N 3.12Å; I118-K122 HydrophobicContact CG2-CD 4.22Å; I118-K122 WeakPolarHBondContact O-CG 3.4Å; I118-K122 PolarHBondContact O-N 3Å
119K98.3Very high96.4Very high136 Ų136102 Ų10259%0.59151%0.51SS*.Hα-helixtrans-61.4-51.6175.1-173.9-171.4172.8-144.80110.6E115 A116 Y121 K122 D123E115-K119 WeakPolarHBondContact O-CB 3.26Å; E115-K119 PolarHBondContact O-N 2.82Å; A116-K119 PolarHBondContact O-N 3.07Å; K119-Y121 VanDerWaalsContact C-N 3.32Å; K119-Y121 PolarHBondContact O-N 3.44Å; K119-K122 PolarHBondContact O-N 2.88Å; K119-K122 VanDerWaalsContact O-N 3.1Å; K119-D123 VanDerWaalsContact O-CG 3.27Å; K119-D123 PolarHBondContact O-N 2.9Å
120D98.3Very high95.3Very high87 Ų87104.5 Ų104.547%0.46552%0.522SS..Hα-helixtrans-56.1-44.6178.118047.7000112.2A116 K122 D123 Q124A116-D120 WeakPolarHBondContact O-CB 3.27Å; A116-D120 PolarHBondContact O-N 3.33Å; D120-K122 PolarHBondContact O-N 2.8Å; D120-D123 PolarHBondContact O-N 2.83Å; D120-Q124 WeakPolarHBondContact O-CB 3.32Å; D120-Q124 VanDerWaalsContact O-CG 3.3Å; D120-Q124 WeakPolarHBondContact O-CG 3.1Å; D120-Q124 PolarHBondContact O-N 2.87Å; D120-Q124 PolarHBondContact OD1-NE2 2.95Å; D120-Q124 PolarHBondContact OD2-NE2 3.35Å
121Y98.1Very high93.7Very high143 Ų143104.7 Ų104.756%0.56153%0.527SS*.Hα-helixtrans-61.1-42.5175.8176.3-99000113.2S117 K119 K125S117-Y121 WeakPolarHBondContact O-CB 3.22Å; S117-Y121 PolarHBondContact O-N 2.71Å; K119-Y121 VanDerWaalsContact C-N 3.32Å; K119-Y121 PolarHBondContact O-N 3.44Å; Y121-K125 HydrophobicContact CE1-CD 4.37Å; Y121-K125 WeakPolarHBondContact O-CB 3.34Å; Y121-K125 PolarHBondContact O-N 3.47Å
122K97.2Very high91.9Very high135 Ų135106.4 Ų106.459%0.58754%0.541SS*.Hα-helixtrans-66.2-42.2178-74.2175.3179.5177.90111.4I118 K119 D120 K125 A126I118-K122 HydrophobicContact CG2-CD 4.22Å; I118-K122 WeakPolarHBondContact O-CG 3.4Å; I118-K122 PolarHBondContact O-N 3Å; K119-K122 PolarHBondContact O-N 2.88Å; K119-K122 VanDerWaalsContact O-N 3.1Å; D120-K122 PolarHBondContact O-N 2.8Å; K122-K125 PolarHBondContact O-N 3.05Å; K122-A126 PolarHBondContact O-N 3.16Å
123D96.8Very high89.6Confident86 Ų86114.7 Ų114.746%0.4657%0.574SS.*Hα-helixtrans-63-46.4178.8-67.7-11.8000110.4K119 D120 K125 A126 S127K119-D123 VanDerWaalsContact O-CG 3.27Å; K119-D123 PolarHBondContact O-N 2.9Å; D120-D123 PolarHBondContact O-N 2.83Å; D123-K125 PolarHBondContact O-N 3.42Å; D123-A126 PolarHBondContact O-N 3.43Å; D123-S127 PolarHBondContact O-N 2.81Å; D123-S127 PolarHBondContact O-OG 3.29Å
124Q96.4Very high89.1Confident107 Ų107114.3 Ų114.350%0.558%0.575SS.*Hα-helixtrans-63.9-37.8175.9-71176.231.700113.2D120 S127 R128D120-Q124 WeakPolarHBondContact O-CB 3.32Å; D120-Q124 VanDerWaalsContact O-CG 3.3Å; D120-Q124 WeakPolarHBondContact O-CG 3.1Å; D120-Q124 PolarHBondContact O-N 2.87Å; D120-Q124 PolarHBondContact OD1-NE2 2.95Å; D120-Q124 PolarHBondContact OD2-NE2 3.35Å; Q124-S127 PolarHBondContact O-OG 2.93Å; Q124-R128 WeakPolarHBondContact O-CB 3.27Å; Q124-R128 PolarHBondContact O-N 2.86Å; Q124-R128 VanDerWaalsContact O-N 3.15Å
125K96.3Very high88.6Confident117 Ų117113.5 Ų113.551%0.50958%0.576SS.*Hα-helixtrans-67.5-39.3177.2-175.9178.5175.6-179.40111.4Y121 K122 D123 N129Y121-K125 HydrophobicContact CE1-CD 4.37Å; Y121-K125 WeakPolarHBondContact O-CB 3.34Å; Y121-K125 PolarHBondContact O-N 3.47Å; K122-K125 PolarHBondContact O-N 3.05Å; D123-K125 PolarHBondContact O-N 3.42Å; K125-N129 PolarHBondContact O-N 3.13Å
126A94.5Very high88.1Confident54 Ų54113.6 Ų113.645%0.44658%0.579SS.*Hα-helixtrans-64.9-48.5176.100000111.4K122 D123 R128 N129 E130K122-A126 PolarHBondContact O-N 3.16Å; D123-A126 PolarHBondContact O-N 3.43Å; A126-R128 VanDerWaalsContact C-N 3.29Å; A126-R128 PolarHBondContact O-N 3.39Å; A126-N129 PolarHBondContact O-N 3.05Å; A126-N129 VanDerWaalsContact O-N 3.12Å; A126-E130 PolarHBondContact O-N 3.06Å
127S92.6Very high87.5Confident67 Ų67116.7 Ų116.747%0.46958%0.584SS.*Hα-helixtrans-62.3-34.8-179.4670000113.2D123 Q124 N129 S131D123-S127 PolarHBondContact O-N 2.81Å; D123-S127 PolarHBondContact O-OG 3.29Å; Q124-S127 PolarHBondContact O-OG 2.93Å; S127-N129 VanDerWaalsContact C-N 3.34Å; S127-S131 PolarHBondContact O-N 3.34Å; S127-S131 PolarHBondContact O-OG 3.36Å
128R90Very high86.8Confident191 Ų191119.2 Ų119.272%0.72159%0.586SS**Hα-helixtrans-66.3-34.7176.3-174.1177.1176.8-174.4-0.9112.9Q124 A126 S131 T132Q124-R128 WeakPolarHBondContact O-CB 3.27Å; Q124-R128 PolarHBondContact O-N 2.86Å; Q124-R128 VanDerWaalsContact O-N 3.15Å; A126-R128 VanDerWaalsContact C-N 3.29Å; A126-R128 PolarHBondContact O-N 3.39Å; R128-S131 PolarHBondContact O-OG 3.13Å; R128-T132 PolarHBondContact O-OG1 3.38Å; R128-T132 VanDerWaalsContact O-OG1 3.11Å
129N80.3Confident86Confident99 Ų99122.8 Ų122.853%0.52960%0.603SS.*Hα-helixtrans-77.3-32.4-179.4-68.5-11.4000112.1K125 A126 S127K125-N129 PolarHBondContact O-N 3.13Å; A126-N129 PolarHBondContact O-N 3.05Å; A126-N129 VanDerWaalsContact O-N 3.12Å; S127-N129 VanDerWaalsContact C-N 3.34Å
130E75.8Confident85.2Confident158 Ų158121.9 Ų121.974%0.73860%0.604SS**Hα-helixtrans-70.3-31.1175.5-71.3-168.5166.300113.1A126 T132A126-E130 PolarHBondContact O-N 3.06Å; E130-T132 PolarHBondContact O-N 3.19Å
131S65.9Low84.2Confident95 Ų95124.5 Ų124.566%0.66462%0.615SS**THydrogen-bonded Turntrans-80.94-178.534.70000114.6S127 R128S127-S131 PolarHBondContact O-N 3.34Å; S127-S131 PolarHBondContact O-OG 3.36Å; R128-S131 PolarHBondContact O-OG 3.13Å
132T60.8Low83Confident113 Ų113123 Ų12369%0.69362%0.619SS**THydrogen-bonded Turntrans-101.38.3177.7-45.80000112.7R128 E130R128-T132 PolarHBondContact O-OG1 3.38Å; R128-T132 VanDerWaalsContact O-OG1 3.11Å; E130-T132 PolarHBondContact O-N 3.19Å
133F49.5Very low81.7Confident254 Ų254121.9 Ų121.9100%1.11462%0.622SS**  trans-116.50175.2-78.4-81.3000112.5

Retrieved 133 of 133 residues in 36.7 ms (Link to these results)