A0A5K4F7V6_SCHMA Loading...

AGC-kinase C-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F7V6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 104 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
1M74.9Confident92.4Very high162 Ų16294 Ų9480%0.79847%0.466SS*.  0137.10-66.7-176.7-165.400110.3L6 H28 R29M1-L6 HydrophobicContact CB-CD1 4.38Å; M1-L6 HydrophobicContact CB-CD2 4.21Å; M1-L6 HydrophobicContact CB-CG 4.26Å; M1-L6 HydrophobicContact SD-CD2 4.02Å; M1-H28 PolarHBondContact O-NE2 3.03Å; M1-R29 PolarHBondContact O-NH1 3.49Å; M1-R29 PolarHBondContact O-NH2 3.34Å
2D89Confident92.7Very high72 Ų7298.4 Ų98.439%0.38548%0.481SS..  trans-60.1147.5178.4-174.620.2000111.4S4 F5 L6D2-S4 PolarHBondContact O-N 3.17Å; D2-S4 WeakPolarHBondContact OD2-CB 3.47Å; D2-S4 PolarHBondContact OD2-OG 3.31Å; D2-F5 HydrophobicContact CB-CD2 3.94Å; D2-F5 HydrophobicContact CB-CE2 4.49Å; D2-F5 PolarHBondContact O-N 3.08Å; D2-L6 PolarHBondContact O-N 2.94Å
3A91Very high93Very high3 Ų398.6 Ų98.63%0.02548%0.484CS..Hα-helixtrans-59.8-36.6179.700000111.3F5 L6 L7 F30A3-F5 PolarHBondContact O-N 3.3Å; A3-L6 PolarHBondContact O-N 2.88Å; A3-L7 HydrophobicContact CB-CD1 4.43Å; A3-L7 WeakPolarHBondContact O-CB 3.37Å; A3-L7 WeakPolarHBondContact O-CG 3.23Å; A3-L7 PolarHBondContact O-N 3.13Å; A3-F30 HydrophobicContact CB-CB 3.77Å; A3-F30 HydrophobicContact CB-CD1 4.22Å; A3-F30 HydrophobicContact CB-CD2 4.48Å; A3-F30 HydrophobicContact CB-CG 3.91Å
4S90.9Very high93.1Very high49 Ų4999.1 Ų99.134%0.34349%0.489SS..Hα-helixtrans-56.6-47179.766.10000112.5D2 L6 L7 L8D2-S4 PolarHBondContact O-N 3.17Å; D2-S4 WeakPolarHBondContact OD2-CB 3.47Å; D2-S4 PolarHBondContact OD2-OG 3.31Å; S4-L6 VanDerWaalsContact C-N 3.34Å; S4-L6 PolarHBondContact O-N 3.28Å; S4-L7 PolarHBondContact O-N 3.29Å; S4-L8 VanDerWaalsContact O-CB 3.31Å; S4-L8 WeakPolarHBondContact O-CB 3.22Å; S4-L8 WeakPolarHBondContact O-CG 3.45Å; S4-L8 PolarHBondContact O-N 3.5Å
5F92.8Very high93.4Very high156 Ų15699.4 Ų99.468%0.68448%0.483SS*.Hα-helixtrans-64.5-36.9177.8-73.2-65.2000112.7D2 A3 Q9D2-F5 HydrophobicContact CB-CD2 3.94Å; D2-F5 HydrophobicContact CB-CE2 4.49Å; D2-F5 PolarHBondContact O-N 3.08Å; A3-F5 PolarHBondContact O-N 3.3Å; F5-Q9 PolarHBondContact O-N 3.25Å
6L95.2Very high93.6Very high40 Ų4094.2 Ų94.221%0.20946%0.458CS..Hα-helixtrans-76.3-37.6-179.4-58.1174.7000111.8M1 D2 A3 S4 Q9 R15 L16M1-L6 HydrophobicContact CB-CD1 4.38Å; M1-L6 HydrophobicContact CB-CD2 4.21Å; M1-L6 HydrophobicContact CB-CG 4.26Å; M1-L6 HydrophobicContact SD-CD2 4.02Å; D2-L6 PolarHBondContact O-N 2.94Å; A3-L6 PolarHBondContact O-N 2.88Å; S4-L6 VanDerWaalsContact C-N 3.34Å; S4-L6 PolarHBondContact O-N 3.28Å; L6-Q9 WeakPolarHBondContact O-CB 3.37Å; L6-R15 WeakPolarHBondContact O-CA 3.22Å; L6-R15 WeakPolarHBondContact O-CG 3.46Å; L6-L16 HydrophobicContact CB-CB 3.76Å; L6-L16 HydrophobicContact CB-CD2 4.42Å; L6-L16 HydrophobicContact CD1-CD1 4.48Å; L6-L16 PolarHBondContact O-N 3.34Å
7L96.7Very high93.8Very high63 Ų6389.6 Ų89.633%0.3344%0.441SS..Hα-helixtrans-70-32.5175.9-73.5168.3000112.3A3 S4 R15 L16A3-L7 HydrophobicContact CB-CD1 4.43Å; A3-L7 WeakPolarHBondContact O-CB 3.37Å; A3-L7 WeakPolarHBondContact O-CG 3.23Å; A3-L7 PolarHBondContact O-N 3.13Å; S4-L7 PolarHBondContact O-N 3.29Å; L7-R15 WeakPolarHBondContact O-CD 3.16Å; L7-R15 VanDerWaalsContact O-CG 3.29Å; L7-R15 WeakPolarHBondContact O-CG 3.38Å; L7-L16 HydrophobicContact CD2-CB 4.15Å; L7-L16 HydrophobicContact CD2-CD2 3.98Å; L7-L16 HydrophobicContact CD2-CG 4.42Å; L7-L16 HydrophobicContact CG-CB 4.42Å; L7-L16 HydrophobicContact CG-CD2 4.01Å
8L96.2Very high93.9Very high146 Ų14687.6 Ų87.676%0.76444%0.437SS*.THydrogen-bonded Turntrans-97.517.2179.4-59.7178.6000113.1S4 K10S4-L8 VanDerWaalsContact O-CB 3.31Å; S4-L8 WeakPolarHBondContact O-CB 3.22Å; S4-L8 WeakPolarHBondContact O-CG 3.45Å; S4-L8 PolarHBondContact O-N 3.5Å; L8-K10 PolarHBondContact O-N 3.35Å
9Q96.4Very high94Very high75 Ų7591.1 Ų91.135%0.3545%0.452SS..  trans-57.3129.8174.3-179.455.2-8800110.2F5 L6 D11 N14 R15F5-Q9 PolarHBondContact O-N 3.25Å; L6-Q9 WeakPolarHBondContact O-CB 3.37Å; Q9-D11 WeakPolarHBondContact CG-O 3.47Å; Q9-N14 HydrophobicContact CG-CB 3.73Å; Q9-R15 HydrophobicContact CB-CB 4.11Å; Q9-R15 HydrophobicContact CB-CG 4.41Å; Q9-R15 PolarHBondContact O-NE 3.44Å; Q9-R15 PolarHBondContact O-NH2 3.11Å
10K97Very high94.1Very high193 Ų19391.7 Ų91.784%0.83946%0.457SS*.SBendtrans-66.7-44.3-174.4-173.3175.9-177.7178.40111.1L8 K12L8-K10 PolarHBondContact O-N 3.35Å; K10-K12 PolarHBondContact O-N 3.21Å
11D96.6Very high94.1Very high75 Ų7592.8 Ų92.840%0.40147%0.465SS..SBendtrans-76.2120.4171.9-176.90.3000110.2Q9 I13 N14 R15Q9-D11 WeakPolarHBondContact CG-O 3.47Å; D11-I13 PolarHBondContact O-N 2.89Å; D11-I13 PolarHBondContact OD1-N 3.47Å; D11-I13 VanDerWaalsContact OD1-N 3.13Å; D11-N14 HydrophobicContact CB-CB 4.45Å; D11-N14 PolarHBondContact O-N 3.28Å; D11-N14 PolarHBondContact OD2-ND2 2.94Å; D11-R15 PolarHBondContact O-N 3.28Å
12K95.9Very high95.1Very high147 Ų14789.7 Ų89.764%0.63945%0.447SS*.G310 helixtrans-61.9-31.8-17767.7177.5-177.3175.90112.9K10 N14 R15 S18K10-K12 PolarHBondContact O-N 3.21Å; K12-N14 VanDerWaalsContact C-N 3.27Å; K12-N14 PolarHBondContact O-N 3.45Å; K12-R15 WeakPolarHBondContact O-CB 3.2Å; K12-R15 PolarHBondContact O-N 3.25Å; K12-S18 VanDerWaalsContact O-CB 3.23Å; K12-S18 WeakPolarHBondContact O-CB 3.39Å; K12-S18 PolarHBondContact O-OG 3.23Å
13I96Very high95.5Very high101 Ų10191.5 Ų91.552%0.51845%0.453SS..G310 helixtrans-69.6-30.9-177-56.8-59.6000111D11 S18D11-I13 PolarHBondContact O-N 2.89Å; D11-I13 PolarHBondContact OD1-N 3.47Å; D11-I13 VanDerWaalsContact OD1-N 3.13Å; I13-S18 WeakPolarHBondContact O-CB 3.27Å
14N94.8Very high95.7Very high106 Ų10694 Ų9457%0.56746%0.464SS*.G310 helixtrans-93.93.2-180-69.9-60.1000112.9Q9 D11 K12Q9-N14 HydrophobicContact CG-CB 3.73Å; D11-N14 HydrophobicContact CB-CB 4.45Å; D11-N14 PolarHBondContact O-N 3.28Å; D11-N14 PolarHBondContact OD2-ND2 2.94Å; K12-N14 VanDerWaalsContact C-N 3.27Å; K12-N14 PolarHBondContact O-N 3.45Å
15R97.2Very high96Very high103 Ų10393.7 Ų93.739%0.38946%0.458SS..SBendtrans-80.4137.8-178.5-171.7-180-65166.13.1109.9L6 L7 Q9 D11 K12 G17 S18L6-R15 WeakPolarHBondContact O-CA 3.22Å; L6-R15 WeakPolarHBondContact O-CG 3.46Å; L7-R15 WeakPolarHBondContact O-CD 3.16Å; L7-R15 VanDerWaalsContact O-CG 3.29Å; L7-R15 WeakPolarHBondContact O-CG 3.38Å; Q9-R15 HydrophobicContact CB-CB 4.11Å; Q9-R15 HydrophobicContact CB-CG 4.41Å; Q9-R15 PolarHBondContact O-NE 3.44Å; Q9-R15 PolarHBondContact O-NH2 3.11Å; D11-R15 PolarHBondContact O-N 3.28Å; K12-R15 WeakPolarHBondContact O-CB 3.2Å; K12-R15 PolarHBondContact O-N 3.25Å; R15-G17 PolarHBondContact O-N 3.35Å; R15-S18 WeakPolarHBondContact O-CB 3.49Å; R15-S18 PolarHBondContact O-N 3.22Å
16L96.5Very high96.1Very high16 Ų1687.2 Ų87.28%0.08443%0.432CS..THydrogen-bonded Turntrans-53.4124.6174.9-173.171.4000110.1L6 L7 E24 I25 H28L6-L16 HydrophobicContact CB-CB 3.76Å; L6-L16 HydrophobicContact CB-CD2 4.42Å; L6-L16 HydrophobicContact CD1-CD1 4.48Å; L6-L16 PolarHBondContact O-N 3.34Å; L7-L16 HydrophobicContact CD2-CB 4.15Å; L7-L16 HydrophobicContact CD2-CD2 3.98Å; L7-L16 HydrophobicContact CD2-CG 4.42Å; L7-L16 HydrophobicContact CG-CB 4.42Å; L7-L16 HydrophobicContact CG-CD2 4.01Å; L16-E24 HydrophobicContact CD1-CG 3.92Å; L16-I25 HydrophobicContact CD2-CG1 4.39Å; L16-I25 HydrophobicContact CG-CG1 4.08Å; L16-H28 HydrophobicContact CD1-CB 4.49Å; L16-H28 HydrophobicContact CD2-CB 4.21Å
17G96.7Very high96.1Very high17 Ų1792.7 Ų92.718%0.17546%0.455CS..THydrogen-bonded Turntrans95.55-175.300000114.1R15 D21 E24R15-G17 PolarHBondContact O-N 3.35Å; G17-D21 WeakPolarHBondContact CA-O 3.23Å; G17-D21 WeakPolarHBondContact O-CA 3.43Å; G17-D21 PolarHBondContact O-N 3.43Å; G17-E24 VanDerWaalsContact CA-OE2 3.22Å; G17-E24 WeakPolarHBondContact CA-OE2 3.23Å; G17-E24 PolarHBondContact N-OE1 3.38Å; G17-E24 PolarHBondContact N-OE2 3.29Å
18S97.1Very high96.1Very high53 Ų5390.8 Ų90.837%0.37144%0.444SS..THydrogen-bonded Turntrans-79.6-31179.1-171.90000113.7K12 I13 R15 E24K12-S18 VanDerWaalsContact O-CB 3.23Å; K12-S18 WeakPolarHBondContact O-CB 3.39Å; K12-S18 PolarHBondContact O-OG 3.23Å; I13-S18 WeakPolarHBondContact O-CB 3.27Å; R15-S18 WeakPolarHBondContact O-CB 3.49Å; R15-S18 PolarHBondContact O-N 3.22Å; S18-E24 PolarHBondContact N-OE2 2.77Å
19E94.7Very high96.1Very high153 Ų15390.5 Ų90.572%0.71543%0.432SS*.THydrogen-bonded Turntrans-89.7-44.2-174.1-68.7-171.9164.700112.2E24E19-E24 PolarHBondContact N-OE2 2.82Å
20N96Very high96Very high104 Ų10493.1 Ų93.156%0.55644%0.443SS*.THydrogen-bonded Turntrans-133.927.6-176.4-63.4-69.1000112.7F22 E23N20-F22 PolarHBondContact O-N 2.81Å; N20-E23 HydrophobicContact CB-CB 4.28Å; N20-E23 WeakPolarHBondContact O-CB 3.44Å; N20-E23 PolarHBondContact O-N 3.29Å; N20-E23 VanDerWaalsContact O-N 3.08Å
21D95.2Very high96Very high115 Ų11585.6 Ų85.662%0.61541%0.41SS*.THydrogen-bonded Turntrans48.5-125.8175-168.818.3000112.8G17 E23 E24 I25G17-D21 WeakPolarHBondContact CA-O 3.23Å; G17-D21 WeakPolarHBondContact O-CA 3.43Å; G17-D21 PolarHBondContact O-N 3.43Å; D21-E23 VanDerWaalsContact C-N 3.26Å; D21-E23 PolarHBondContact O-N 3.29Å; D21-E24 PolarHBondContact O-N 2.87Å; D21-I25 PolarHBondContact O-N 3.1Å
22F96Very high95.9Very high97 Ų9791.2 Ų91.243%0.42543%0.426SS..Hα-helixtrans-59.9-31.6-177.6173.3-104.3000113.7N20 E24 I25 S26 W36N20-F22 PolarHBondContact O-N 2.81Å; F22-E24 VanDerWaalsContact C-N 3.26Å; F22-E24 PolarHBondContact O-N 2.94Å; F22-I25 PolarHBondContact O-N 3.15Å; F22-S26 VanDerWaalsContact O-CB 3.27Å; F22-S26 WeakPolarHBondContact O-CB 3.19Å; F22-S26 PolarHBondContact O-N 2.91Å; F22-S26 PolarHBondContact O-OG 2.99Å; F22-W36 HydrophobicContact CE2-CD2 4.1Å; F22-W36 AromaticContact CE2-CE3 3.86Å; F22-W36 HydrophobicContact CE2-CE3 3.86Å; F22-W36 HydrophobicContact CE2-CH2 4.24Å; F22-W36 HydrophobicContact CE2-CZ2 4.45Å; F22-W36 AromaticContact CE2-CZ3 3.95Å; F22-W36 HydrophobicContact CE2-CZ3 3.95Å; F22-W36 HydrophobicContact CZ-CB 4.33Å; F22-W36 AromaticContact CZ-CD2 3.66Å; F22-W36 HydrophobicContact CZ-CD2 3.66Å; F22-W36 AromaticContact CZ-CE3 3.77Å; F22-W36 HydrophobicContact CZ-CE3 3.77Å; F22-W36 AromaticContact CZ-CG 3.91Å; F22-W36 HydrophobicContact CZ-CG 3.91Å; F22-W36 HydrophobicContact CZ-CZ3 4.33Å
23E96.2Very high95.9Very high109 Ų10990.5 Ų90.551%0.50943%0.429SS..Hα-helixtrans-63.6-35.7-179.4-71.1-164.4-159.100112.2N20 D21 S26 K27N20-E23 HydrophobicContact CB-CB 4.28Å; N20-E23 WeakPolarHBondContact O-CB 3.44Å; N20-E23 PolarHBondContact O-N 3.29Å; N20-E23 VanDerWaalsContact O-N 3.08Å; D21-E23 VanDerWaalsContact C-N 3.26Å; D21-E23 PolarHBondContact O-N 3.29Å; E23-S26 WeakPolarHBondContact CA-OG 3.29Å; E23-S26 PolarHBondContact O-OG 3.25Å; E23-S26 VanDerWaalsContact O-OG 3.11Å; E23-K27 WeakPolarHBondContact O-CB 3.44Å; E23-K27 VanDerWaalsContact O-CD 3.23Å; E23-K27 WeakPolarHBondContact O-CD 3.13Å; E23-K27 WeakPolarHBondContact O-CG 3.39Å; E23-K27 PolarHBondContact O-N 2.98Å; E23-K27 IonicContact OE2-NZ 2.66Å; E23-K27 PolarHBondContact OE2-NZ 3.47Å
24E95.8Very high95.9Very high57 Ų5788.4 Ų88.427%0.26642%0.419SS..Hα-helixtrans-69.6-44.7177.2-161.8-168.2151.800110.8L16 G17 S18 E19 D21 F22 H28L16-E24 HydrophobicContact CD1-CG 3.92Å; G17-E24 VanDerWaalsContact CA-OE2 3.22Å; G17-E24 WeakPolarHBondContact CA-OE2 3.23Å; G17-E24 PolarHBondContact N-OE1 3.38Å; G17-E24 PolarHBondContact N-OE2 3.29Å; S18-E24 PolarHBondContact N-OE2 2.77Å; E19-E24 PolarHBondContact N-OE2 2.82Å; D21-E24 PolarHBondContact O-N 2.87Å; F22-E24 VanDerWaalsContact C-N 3.26Å; F22-E24 PolarHBondContact O-N 2.94Å; E24-H28 PolarHBondContact O-N 3.21Å
25I96.3Very high96Very high41 Ų4186.3 Ų86.321%0.2141%0.407CS..Hα-helixtrans-63.7-49.8179.6-63170.6000110.3L16 D21 F22 K27 H28 F31L16-I25 HydrophobicContact CD2-CG1 4.39Å; L16-I25 HydrophobicContact CG-CG1 4.08Å; D21-I25 PolarHBondContact O-N 3.1Å; F22-I25 PolarHBondContact O-N 3.15Å; I25-K27 VanDerWaalsContact C-N 3.27Å; I25-K27 PolarHBondContact O-N 3.27Å; I25-H28 WeakPolarHBondContact O-CB 3.35Å; I25-H28 PolarHBondContact O-N 3.02Å; I25-H28 VanDerWaalsContact O-N 3.08Å; I25-F31 HydrophobicContact CG2-CD2 4.17Å; I25-F31 HydrophobicContact CG2-CE2 3.69Å; I25-F31 HydrophobicContact CG2-CZ 4.27Å; I25-F31 VanDerWaalsContact O-CD2 3.23Å; I25-F31 WeakPolarHBondContact O-CD2 3.46Å
26S95.9Very high96Very high21 Ų2184.3 Ų84.315%0.14740%0.4CS..Hα-helixtrans-62.9-30-176.556.80000113.9F22 E23F22-S26 VanDerWaalsContact O-CB 3.27Å; F22-S26 WeakPolarHBondContact O-CB 3.19Å; F22-S26 PolarHBondContact O-N 2.91Å; F22-S26 PolarHBondContact O-OG 2.99Å; E23-S26 WeakPolarHBondContact CA-OG 3.29Å; E23-S26 PolarHBondContact O-OG 3.25Å; E23-S26 VanDerWaalsContact O-OG 3.11Å
27K95.3Very high96.1Very high155 Ų15588.7 Ų88.767%0.67442%0.422SS*.Hα-helixtrans-82.8-10.8177.4-68168.7-166.9160.90113E23 I25E23-K27 WeakPolarHBondContact O-CB 3.44Å; E23-K27 VanDerWaalsContact O-CD 3.23Å; E23-K27 WeakPolarHBondContact O-CD 3.13Å; E23-K27 WeakPolarHBondContact O-CG 3.39Å; E23-K27 PolarHBondContact O-N 2.98Å; E23-K27 IonicContact OE2-NZ 2.66Å; E23-K27 PolarHBondContact OE2-NZ 3.47Å; I25-K27 VanDerWaalsContact C-N 3.27Å; I25-K27 PolarHBondContact O-N 3.27Å
28H95.8Very high96.1Very high22 Ų2292.6 Ų92.610%0.10243%0.434CS..SBendtrans-68.3136.5-179.6-175.3-93.7000111.6M1 L16 E24 I25 F30 F31M1-H28 PolarHBondContact O-NE2 3.03Å; L16-H28 HydrophobicContact CD1-CB 4.49Å; L16-H28 HydrophobicContact CD2-CB 4.21Å; E24-H28 PolarHBondContact O-N 3.21Å; I25-H28 WeakPolarHBondContact O-CB 3.35Å; I25-H28 PolarHBondContact O-N 3.02Å; I25-H28 VanDerWaalsContact O-N 3.08Å; H28-F30 WeakPolarHBondContact ND1-CB 3.31Å; H28-F30 PolarHBondContact ND1-N 2.93Å; H28-F30 PolarHBondContact O-N 3.08Å; H28-F31 HydrophobicContact CB-CD2 4.31Å; H28-F31 PolarHBondContact O-N 2.88Å
29R95.9Very high96.2Very high140 Ų14093.9 Ų93.953%0.52844%0.436SS..G310 helixtrans-56.2-22.4-172.173.3-177.2-174-68.3-14.3116M1 F31 R32M1-R29 PolarHBondContact O-NH1 3.49Å; M1-R29 PolarHBondContact O-NH2 3.34Å; R29-F31 VanDerWaalsContact C-N 3.28Å; R29-R32 WeakPolarHBondContact O-CB 3.48Å; R29-R32 WeakPolarHBondContact O-CD 3.33Å; R29-R32 VanDerWaalsContact O-CG 3.29Å; R29-R32 WeakPolarHBondContact O-CG 3.47Å; R29-R32 PolarHBondContact O-N 3.25Å
30F95.7Very high96.2Very high131 Ų13193.3 Ų93.358%0.57544%0.438SS*.G310 helixtrans-64.2-34174.7178.1-95.5000111.9A3 H28A3-F30 HydrophobicContact CB-CB 3.77Å; A3-F30 HydrophobicContact CB-CD1 4.22Å; A3-F30 HydrophobicContact CB-CD2 4.48Å; A3-F30 HydrophobicContact CB-CG 3.91Å; H28-F30 WeakPolarHBondContact ND1-CB 3.31Å; H28-F30 PolarHBondContact ND1-N 2.93Å; H28-F30 PolarHBondContact O-N 3.08Å
31F96.1Very high96.3Very high35 Ų3593.2 Ų93.215%0.15443%0.434CS..G310 helixtrans-10010.6-178.8-54-74.6000113.4I25 H28 R29 D33 I34 W36I25-F31 HydrophobicContact CG2-CD2 4.17Å; I25-F31 HydrophobicContact CG2-CE2 3.69Å; I25-F31 HydrophobicContact CG2-CZ 4.27Å; I25-F31 VanDerWaalsContact O-CD2 3.23Å; I25-F31 WeakPolarHBondContact O-CD2 3.46Å; H28-F31 HydrophobicContact CB-CD2 4.31Å; H28-F31 PolarHBondContact O-N 2.88Å; R29-F31 VanDerWaalsContact C-N 3.28Å; F31-D33 PolarHBondContact O-N 3.3Å; F31-I34 HydrophobicContact CB-CD1 4.16Å; F31-I34 HydrophobicContact CD1-CD1 3.71Å; F31-I34 HydrophobicContact CG-CD1 4.42Å; F31-I34 WeakPolarHBondContact O-CB 3.1Å; F31-I34 PolarHBondContact O-N 3.18Å; F31-W36 HydrophobicContact CB-CH2 4.21Å; F31-W36 HydrophobicContact CB-CZ2 3.57Å; F31-W36 HydrophobicContact CD1-CH2 4.09Å; F31-W36 HydrophobicContact CD1-CZ2 4.31Å; F31-W36 HydrophobicContact CG-CH2 4.17Å; F31-W36 AromaticContact CG-CZ2 3.96Å; F31-W36 HydrophobicContact CG-CZ2 3.96Å
32R95.2Very high96.4Very high192 Ų19298.7 Ų98.773%0.72545%0.446SS*.THydrogen-bonded Turntrans-57-27.9-173.873.2-176.2-177.5179-2.9114.1R29 I34R29-R32 WeakPolarHBondContact O-CB 3.48Å; R29-R32 WeakPolarHBondContact O-CD 3.33Å; R29-R32 VanDerWaalsContact O-CG 3.29Å; R29-R32 WeakPolarHBondContact O-CG 3.47Å; R29-R32 PolarHBondContact O-N 3.25Å; R32-I34 VanDerWaalsContact C-N 3.33Å
33D95.5Very high96.4Very high133 Ų133100.4 Ų100.471%0.71145%0.453SS*.THydrogen-bonded Turntrans-91.32.6-175.5-59.9-46.8000112F31F31-D33 PolarHBondContact O-N 3.3Å
34I96.7Very high96.4Very high57 Ų5798.8 Ų98.829%0.29245%0.448SS..  trans-92.8117.7178-57.2-175.3000110F31 R32 W36 L39F31-I34 HydrophobicContact CB-CD1 4.16Å; F31-I34 HydrophobicContact CD1-CD1 3.71Å; F31-I34 HydrophobicContact CG-CD1 4.42Å; F31-I34 WeakPolarHBondContact O-CB 3.1Å; F31-I34 PolarHBondContact O-N 3.18Å; R32-I34 VanDerWaalsContact C-N 3.33Å; I34-W36 HydrophobicContact CB-CD2 4.48Å; I34-W36 HydrophobicContact CB-CZ2 4.33Å; I34-W36 HydrophobicContact CD1-CH2 4.11Å; I34-W36 HydrophobicContact CD1-CZ2 4.39Å; I34-W36 HydrophobicContact CG2-CD2 3.81Å; I34-W36 HydrophobicContact CG2-CE3 3.84Å; I34-W36 HydrophobicContact CG2-CG 4.36Å; I34-W36 HydrophobicContact CG2-CH2 4.33Å; I34-W36 HydrophobicContact CG2-CZ2 4.31Å; I34-W36 HydrophobicContact CG2-CZ3 4.09Å; I34-W36 PolarHBondContact O-N 3.36Å; I34-L39 HydrophobicContact CG2-CB 4.4Å; I34-L39 HydrophobicContact CG2-CD2 3.95Å
35D97.3Very high96.4Very high62 Ų62102.7 Ų102.733%0.33248%0.475SS..  trans-79.999.8162.4-177-29.8000108.8I37 K38 L39D35-I37 VanDerWaalsContact C-N 3.27Å; D35-I37 PolarHBondContact O-N 2.94Å; D35-I37 PolarHBondContact OD1-N 3.34Å; D35-K38 HydrophobicContact CB-CB 4.05Å; D35-K38 HydrophobicContact CB-CD 4.11Å; D35-K38 HydrophobicContact CB-CG 4.27Å; D35-K38 PolarHBondContact O-N 2.89Å; D35-K38 PolarHBondContact OD1-N 3.26Å; D35-K38 WeakPolarHBondContact OD2-CD 3.19Å; D35-K38 WeakPolarHBondContact OD2-CE 3.32Å; D35-K38 WeakPolarHBondContact OD2-CG 3.35Å; D35-K38 IonicContact OD2-NZ 3.3Å; D35-K38 PolarHBondContact OD2-NZ 3.39Å; D35-L39 WeakPolarHBondContact O-CB 3.14Å; D35-L39 PolarHBondContact O-N 3.28Å
36W97.1Very high96.4Very high61 Ų61103.4 Ų103.423%0.23149%0.487CS..Hα-helixtrans-63-31.7-175.1-63.4105.1000113.4F22 F31 I34 L39 L40F22-W36 HydrophobicContact CE2-CD2 4.1Å; F22-W36 AromaticContact CE2-CE3 3.86Å; F22-W36 HydrophobicContact CE2-CE3 3.86Å; F22-W36 HydrophobicContact CE2-CH2 4.24Å; F22-W36 HydrophobicContact CE2-CZ2 4.45Å; F22-W36 AromaticContact CE2-CZ3 3.95Å; F22-W36 HydrophobicContact CE2-CZ3 3.95Å; F22-W36 HydrophobicContact CZ-CB 4.33Å; F22-W36 AromaticContact CZ-CD2 3.66Å; F22-W36 HydrophobicContact CZ-CD2 3.66Å; F22-W36 AromaticContact CZ-CE3 3.77Å; F22-W36 HydrophobicContact CZ-CE3 3.77Å; F22-W36 AromaticContact CZ-CG 3.91Å; F22-W36 HydrophobicContact CZ-CG 3.91Å; F22-W36 HydrophobicContact CZ-CZ3 4.33Å; F31-W36 HydrophobicContact CB-CH2 4.21Å; F31-W36 HydrophobicContact CB-CZ2 3.57Å; F31-W36 HydrophobicContact CD1-CH2 4.09Å; F31-W36 HydrophobicContact CD1-CZ2 4.31Å; F31-W36 HydrophobicContact CG-CH2 4.17Å; F31-W36 AromaticContact CG-CZ2 3.96Å; F31-W36 HydrophobicContact CG-CZ2 3.96Å; I34-W36 HydrophobicContact CB-CD2 4.48Å; I34-W36 HydrophobicContact CB-CZ2 4.33Å; I34-W36 HydrophobicContact CD1-CH2 4.11Å; I34-W36 HydrophobicContact CD1-CZ2 4.39Å; I34-W36 HydrophobicContact CG2-CD2 3.81Å; I34-W36 HydrophobicContact CG2-CE3 3.84Å; I34-W36 HydrophobicContact CG2-CG 4.36Å; I34-W36 HydrophobicContact CG2-CH2 4.33Å; I34-W36 HydrophobicContact CG2-CZ2 4.31Å; I34-W36 HydrophobicContact CG2-CZ3 4.09Å; I34-W36 PolarHBondContact O-N 3.36Å; W36-L39 HydrophobicContact CE3-CD2 3.86Å; W36-L39 HydrophobicContact CZ3-CD2 3.9Å; W36-L39 PolarHBondContact O-N 3.34Å; W36-L40 WeakPolarHBondContact O-CB 3.31Å; W36-L40 VanDerWaalsContact O-CG 3.31Å; W36-L40 WeakPolarHBondContact O-CG 3.22Å; W36-L40 PolarHBondContact O-N 2.96Å
37I97.2Very high96.4Very high108 Ų108109.4 Ų109.455%0.55453%0.526SS*.Hα-helixtrans-69-49.4176.8-59.9-59.7000109.4D35 L39 L40 E41D35-I37 VanDerWaalsContact C-N 3.27Å; D35-I37 PolarHBondContact O-N 2.94Å; D35-I37 PolarHBondContact OD1-N 3.34Å; I37-L39 VanDerWaalsContact C-N 3.27Å; I37-L39 PolarHBondContact O-N 2.98Å; I37-L40 PolarHBondContact O-N 3.44Å; I37-E41 HydrophobicContact CG2-CG 4.46Å; I37-E41 WeakPolarHBondContact O-CB 3.38Å; I37-E41 WeakPolarHBondContact O-CG 3.4Å; I37-E41 PolarHBondContact O-N 3.18Å
38K97.9Very high96.5Very high98 Ų98109.2 Ų109.243%0.42653%0.526SS..Hα-helixtrans-62.6-34.7175.8-72.6-179.7-169.5155.30112.7D35 R42 K43 L44D35-K38 HydrophobicContact CB-CB 4.05Å; D35-K38 HydrophobicContact CB-CD 4.11Å; D35-K38 HydrophobicContact CB-CG 4.27Å; D35-K38 PolarHBondContact O-N 2.89Å; D35-K38 PolarHBondContact OD1-N 3.26Å; D35-K38 WeakPolarHBondContact OD2-CD 3.19Å; D35-K38 WeakPolarHBondContact OD2-CE 3.32Å; D35-K38 WeakPolarHBondContact OD2-CG 3.35Å; D35-K38 IonicContact OD2-NZ 3.3Å; D35-K38 PolarHBondContact OD2-NZ 3.39Å; K38-R42 PolarHBondContact O-N 3.37Å; K38-R42 VanDerWaalsContact O-N 3.16Å; K38-K43 HydrophobicContact CB-CB 4.05Å; K38-K43 HydrophobicContact CG-CB 4.27Å; K38-K43 PolarHBondContact O-N 3.42Å; K38-L44 HydrophobicContact CB-CD2 3.72Å; K38-L44 HydrophobicContact CB-CG 3.92Å; K38-L44 HydrophobicContact CD-CD2 4.16Å
39L97.5Very high96.4Very high80 Ų80115 Ų11542%0.41956%0.557SS.*Hα-helixtrans-62.5-50.2175.5-178.463.2000110.9I34 D35 W36 I37 E41 R42 L44I34-L39 HydrophobicContact CG2-CB 4.4Å; I34-L39 HydrophobicContact CG2-CD2 3.95Å; D35-L39 WeakPolarHBondContact O-CB 3.14Å; D35-L39 PolarHBondContact O-N 3.28Å; W36-L39 HydrophobicContact CE3-CD2 3.86Å; W36-L39 HydrophobicContact CZ3-CD2 3.9Å; W36-L39 PolarHBondContact O-N 3.34Å; I37-L39 VanDerWaalsContact C-N 3.27Å; I37-L39 PolarHBondContact O-N 2.98Å; L39-E41 VanDerWaalsContact C-N 3.32Å; L39-E41 PolarHBondContact O-N 2.66Å; L39-R42 WeakPolarHBondContact O-CA 3.34Å; L39-R42 PolarHBondContact O-N 3.3Å; L39-L44 HydrophobicContact CB-CD1 3.79Å; L39-L44 HydrophobicContact CB-CG 4.48Å; L39-L44 HydrophobicContact CD1-CD1 4.1Å
40L96.6Very high96.4Very high141 Ų141111.5 Ų111.574%0.73855%0.552SS**Hα-helixtrans-62.1-39.2178.7-74.9170000112.3W36 I37 R42W36-L40 WeakPolarHBondContact O-CB 3.31Å; W36-L40 VanDerWaalsContact O-CG 3.31Å; W36-L40 WeakPolarHBondContact O-CG 3.22Å; W36-L40 PolarHBondContact O-N 2.96Å; I37-L40 PolarHBondContact O-N 3.44Å; L40-R42 PolarHBondContact O-N 3.49Å
41E97.7Very high96.4Very high102 Ų102109 Ų10948%0.47755%0.551SS.*THydrogen-bonded Turntrans-76.62.8175.1-65.3-179132.100113.5I37 L39 K43I37-E41 HydrophobicContact CG2-CG 4.46Å; I37-E41 WeakPolarHBondContact O-CB 3.38Å; I37-E41 WeakPolarHBondContact O-CG 3.4Å; I37-E41 PolarHBondContact O-N 3.18Å; L39-E41 VanDerWaalsContact C-N 3.32Å; L39-E41 PolarHBondContact O-N 2.66Å; E41-K43 HydrophobicContact CB-CD 3.98Å; E41-K43 HydrophobicContact CB-CG 3.94Å; E41-K43 PolarHBondContact O-N 3.34Å; E41-K43 IonicContact OE1-NZ 3.26Å; E41-K43 PolarHBondContact OE1-NZ 3.02Å; E41-K43 WeakPolarHBondContact OE2-CD 3.33Å; E41-K43 WeakPolarHBondContact OE2-CE 3.38Å; E41-K43 IonicContact OE2-NZ 2.94Å; E41-K43 PolarHBondContact OE2-NZ 3.38Å
42R96.2Very high96.4Very high231 Ų231111.8 Ų111.887%0.87257%0.57SS**THydrogen-bonded Turntrans57.632.3-179.1-51174.275.7173.64.2113.3K38 L39 L40K38-R42 PolarHBondContact O-N 3.37Å; K38-R42 VanDerWaalsContact O-N 3.16Å; L39-R42 WeakPolarHBondContact O-CA 3.34Å; L39-R42 PolarHBondContact O-N 3.3Å; L40-R42 PolarHBondContact O-N 3.49Å
43K97.6Very high96.3Very high132 Ų132107.8 Ų107.857%0.57457%0.567SS**  trans-92.3-10.8179.6-67.2178.5-177.8164.50113.9K38 E41K38-K43 HydrophobicContact CB-CB 4.05Å; K38-K43 HydrophobicContact CG-CB 4.27Å; K38-K43 PolarHBondContact O-N 3.42Å; E41-K43 HydrophobicContact CB-CD 3.98Å; E41-K43 HydrophobicContact CB-CG 3.94Å; E41-K43 PolarHBondContact O-N 3.34Å; E41-K43 IonicContact OE1-NZ 3.26Å; E41-K43 PolarHBondContact OE1-NZ 3.02Å; E41-K43 WeakPolarHBondContact OE2-CD 3.33Å; E41-K43 WeakPolarHBondContact OE2-CE 3.38Å; E41-K43 IonicContact OE2-NZ 2.94Å; E41-K43 PolarHBondContact OE2-NZ 3.38Å
44L96.2Very high96.3Very high76 Ų76104 Ų10440%0.39855%0.551SS.*SBendtrans-82.2131.5172.8-60.6-176.5000110.1K38 L39 A46K38-L44 HydrophobicContact CB-CD2 3.72Å; K38-L44 HydrophobicContact CB-CG 3.92Å; K38-L44 HydrophobicContact CD-CD2 4.16Å; L39-L44 HydrophobicContact CB-CD1 3.79Å; L39-L44 HydrophobicContact CB-CG 4.48Å; L39-L44 HydrophobicContact CD1-CD1 4.1Å; L44-A46 PolarHBondContact O-N 3.32Å
45T95.3Very high96.3Very high138 Ų138107.5 Ų107.585%0.84758%0.581SS**PPolyproline II helixtrans-66.2125.7173.4-54.20000109.6
46A95.4Very high96.1Very high56 Ų56109.8 Ų109.846%0.46360%0.597SS.*PPolyproline II helixtrans-63.8137.6174.800000110.3L44 F48L44-A46 PolarHBondContact O-N 3.32Å; A46-F48 PolarHBondContact O-N 3.39Å
47P96Very high96Very high147 Ų147108.8 Ų108.896%0.95560%0.596SS**SBendtrans-69.1-18.3179.528.3-35.5000113
48F96.8Very high95.9Very high152 Ų152107 Ų10767%0.66759%0.59SS**  trans-130.7128.9175.8171.8-102.7000109.2A46 P50A46-F48 PolarHBondContact O-N 3.39Å; F48-P50 HydrophobicContact CE1-CB 3.94Å; F48-P50 HydrophobicContact CZ-CB 4.43Å
49L94.2Very high95.7Very high144 Ų144108.2 Ų108.275%0.75459%0.592SS**  trans-110.6111.3176.5-149.976.2000108.3
50P95.7Very high95.6Very high66 Ų66108.9 Ų108.943%0.42960%0.596SS.*  trans-64.8139.9-179.426.8-33.5000110.2F48 V52F48-P50 HydrophobicContact CE1-CB 3.94Å; F48-P50 HydrophobicContact CZ-CB 4.43Å; P50-V52 PolarHBondContact O-N 3.11Å
51S95.2Very high95.5Very high79 Ų79106.7 Ų106.755%0.55258%0.584SS**  trans-73.6128.8173.7-630000110R59 N60S51-R59 WeakPolarHBondContact O-CD 3.5Å; S51-N60 PolarHBondContact O-ND2 3.21Å
52V96Very high95.3Very high93 Ų93104.5 Ų104.556%0.56458%0.58SS**  trans-140.3129.8176.2-179.60000107.9P50 S54 D57P50-V52 PolarHBondContact O-N 3.11Å; V52-S54 WeakPolarHBondContact CG1-O 3.43Å; V52-D57 VanDerWaalsContact CA-OD2 3.28Å; V52-D57 WeakPolarHBondContact CA-OD2 3.47Å; V52-D57 HydrophobicContact CG1-CB 4.04Å
53T95.1Very high95.2Very high107 Ų10797.8 Ų97.866%0.65657%0.567SS**  trans-110.2-16.1-178.456.50000114.5D57 R59T53-D57 PolarHBondContact N-OD2 3Å; T53-D57 PolarHBondContact OG1-OD2 3.44Å; T53-R59 PolarHBondContact OG1-NH2 2.59Å
54S95.6Very high94.9Very high54 Ų5498.5 Ų98.538%0.37857%0.572SS.*SBendtrans-155.4167.2179.766.30000111.5V52 T56 D57V52-S54 WeakPolarHBondContact CG1-O 3.43Å; S54-T56 PolarHBondContact O-N 3.44Å; S54-T56 PolarHBondContact OG-OG1 2.68Å; S54-D57 WeakPolarHBondContact O-CB 3.29Å; S54-D57 PolarHBondContact O-N 3.48Å; S54-D57 PolarHBondContact OG-N 3.06Å
55S94.8Very high94.7Very high130 Ų130101.2 Ų101.291%0.90958%0.581SS**THydrogen-bonded Turntrans-64.9-15.4174.752.60000114.1
56T93.5Very high94.5Very high111 Ų11197.6 Ų97.668%0.68156%0.559SS**THydrogen-bonded Turntrans-110.711.3-179.755.20000112.8S54 T58S54-T56 PolarHBondContact O-N 3.44Å; S54-T56 PolarHBondContact OG-OG1 2.68Å; T56-T58 PolarHBondContact O-N 2.79Å
57D95.1Very high94.3Very high40 Ų40101.2 Ų101.221%0.21457%0.57CS.*  trans-70.5122.9-177.4-171.5-7000111.9V52 T53 S54 R59V52-D57 VanDerWaalsContact CA-OD2 3.28Å; V52-D57 WeakPolarHBondContact CA-OD2 3.47Å; V52-D57 HydrophobicContact CG1-CB 4.04Å; T53-D57 PolarHBondContact N-OD2 3Å; T53-D57 PolarHBondContact OG1-OD2 3.44Å; S54-D57 WeakPolarHBondContact O-CB 3.29Å; S54-D57 PolarHBondContact O-N 3.48Å; S54-D57 PolarHBondContact OG-N 3.06Å; D57-R59 VanDerWaalsContact CG-NE 3.28Å; D57-R59 WeakPolarHBondContact OD1-CB 3.43Å; D57-R59 WeakPolarHBondContact OD1-CG 3.5Å; D57-R59 IonicContact OD1-CZ 3.68Å; D57-R59 PolarHBondContact OD1-N 3.38Å; D57-R59 IonicContact OD1-NE 2.95Å; D57-R59 PolarHBondContact OD1-NE 3Å; D57-R59 IonicContact OD1-NH2 3.58Å; D57-R59 IonicContact OD2-CZ 2.93Å; D57-R59 IonicContact OD2-NE 2.83Å; D57-R59 PolarHBondContact OD2-NE 3.26Å; D57-R59 IonicContact OD2-NH1 3.82Å; D57-R59 IonicContact OD2-NH2 2.85Å; D57-R59 PolarHBondContact OD2-NH2 3.27Å
58T94.8Very high93.9Very high69 Ų6997.1 Ų97.142%0.42355%0.545SS..  trans-111.811.1-176.753.60000113.6T56 N60 I61T56-T58 PolarHBondContact O-N 2.79Å; T58-N60 PolarHBondContact O-N 3.16Å; T58-N60 VanDerWaalsContact O-N 3.1Å; T58-I61 VanDerWaalsContact O-CB 3.32Å; T58-I61 WeakPolarHBondContact O-CB 3.42Å; T58-I61 PolarHBondContact O-N 3.32Å
59R94.5Very high93.2Very high124 Ų12495 Ų9547%0.46855%0.549SS..THydrogen-bonded Turntrans-61.3-25-173.175.8-176.365.4172.5-7.4115.8S51 T53 D57 I61S51-R59 WeakPolarHBondContact O-CD 3.5Å; T53-R59 PolarHBondContact OG1-NH2 2.59Å; D57-R59 VanDerWaalsContact CG-NE 3.28Å; D57-R59 WeakPolarHBondContact OD1-CB 3.43Å; D57-R59 WeakPolarHBondContact OD1-CG 3.5Å; D57-R59 IonicContact OD1-CZ 3.68Å; D57-R59 PolarHBondContact OD1-N 3.38Å; D57-R59 IonicContact OD1-NE 2.95Å; D57-R59 PolarHBondContact OD1-NE 3Å; D57-R59 IonicContact OD1-NH2 3.58Å; D57-R59 IonicContact OD2-CZ 2.93Å; D57-R59 IonicContact OD2-NE 2.83Å; D57-R59 PolarHBondContact OD2-NE 3.26Å; D57-R59 IonicContact OD2-NH1 3.82Å; D57-R59 IonicContact OD2-NH2 2.85Å; D57-R59 PolarHBondContact OD2-NH2 3.27Å; R59-I61 VanDerWaalsContact C-N 3.26Å
60N95Very high92.4Very high95 Ų9594.2 Ų94.251%0.50855%0.55SS..THydrogen-bonded Turntrans-88.13.1179.4-58.9-62000111.9S51 T58S51-N60 PolarHBondContact O-ND2 3.21Å; T58-N60 PolarHBondContact O-N 3.16Å; T58-N60 VanDerWaalsContact O-N 3.1Å
61I94.4Very high91.3Very high95 Ų9594.6 Ų94.649%0.48755%0.552SS.*SBendtrans-101.2141.6173.4-51.1-57.7000108.1T58 R59 F65 V66T58-I61 VanDerWaalsContact O-CB 3.32Å; T58-I61 WeakPolarHBondContact O-CB 3.42Å; T58-I61 PolarHBondContact O-N 3.32Å; R59-I61 VanDerWaalsContact C-N 3.26Å; I61-F65 HydrophobicContact CG2-CB 4.17Å; I61-V66 HydrophobicContact CB-CG2 3.85Å; I61-V66 HydrophobicContact CG2-CG2 3.95Å
62S94.5Very high90.2Very high56 Ų5698.3 Ų98.339%0.39257%0.566SS.*  trans-55.1134177.4175.40000110.9E64 F65 V66S62-E64 PolarHBondContact O-N 3.44Å; S62-E64 VanDerWaalsContact O-N 3.09Å; S62-E64 PolarHBondContact OG-N 3.42Å; S62-F65 PolarHBondContact O-N 3.48Å; S62-V66 PolarHBondContact O-N 3.37Å
63P92.5Very high88.9Confident90 Ų9097.5 Ų97.558%0.58456%0.564SS**Hα-helixtrans-55-28.3177.7-27.234.9000114.1F65 V66 N67P63-F65 VanDerWaalsContact C-N 3.27Å; P63-F65 PolarHBondContact O-N 3.35Å; P63-V66 PolarHBondContact O-N 2.98Å; P63-N67 VanDerWaalsContact O-CB 3.27Å; P63-N67 WeakPolarHBondContact O-CB 3.48Å; P63-N67 VanDerWaalsContact O-CG 3.27Å; P63-N67 PolarHBondContact O-N 3.27Å; P63-N67 PolarHBondContact O-ND2 3.5Å
64E93Very high87.5Confident146 Ų14699 Ų9968%0.68257%0.568SS**Hα-helixtrans-56.2-41.9175.7-176.7-177.117300111.9S62 S68S62-E64 PolarHBondContact O-N 3.44Å; S62-E64 VanDerWaalsContact O-N 3.09Å; S62-E64 PolarHBondContact OG-N 3.42Å; E64-S68 PolarHBondContact O-N 2.95Å
65F91.2Very high86Confident134 Ų134100 Ų10059%0.58857%0.568SS**Hα-helixtrans-82.2-38.2179.3-60-64.2000112I61 S62 P63 N67 S68I61-F65 HydrophobicContact CG2-CB 4.17Å; S62-F65 PolarHBondContact O-N 3.48Å; P63-F65 VanDerWaalsContact C-N 3.27Å; P63-F65 PolarHBondContact O-N 3.35Å; F65-N67 VanDerWaalsContact C-N 3.26Å; F65-N67 PolarHBondContact O-N 3.13Å; F65-S68 WeakPolarHBondContact O-CB 3.43Å; F65-S68 PolarHBondContact O-N 3.1Å; F65-S68 VanDerWaalsContact O-N 3.17Å; F65-S68 PolarHBondContact O-OG 3.26Å
66V91.6Very high84.4Confident62 Ų6298 Ų9838%0.37655%0.553SS.*Hα-helixtrans-62.1-38.1178.5179.90000111.4I61 S62 P63 S68I61-V66 HydrophobicContact CB-CG2 3.85Å; I61-V66 HydrophobicContact CG2-CG2 3.95Å; S62-V66 PolarHBondContact O-N 3.37Å; P63-V66 PolarHBondContact O-N 2.98Å; V66-S68 VanDerWaalsContact C-N 3.35Å
67N90.4Very high83Confident132 Ų13297 Ų9771%0.70655%0.551SS**THydrogen-bonded Turntrans-89-2.7179.8-62.2-36000113.2P63 F65P63-N67 VanDerWaalsContact O-CB 3.27Å; P63-N67 WeakPolarHBondContact O-CB 3.48Å; P63-N67 VanDerWaalsContact O-CG 3.27Å; P63-N67 PolarHBondContact O-N 3.27Å; P63-N67 PolarHBondContact O-ND2 3.5Å; F65-N67 VanDerWaalsContact C-N 3.26Å; F65-N67 PolarHBondContact O-N 3.13Å
68S87.7Confident81.5Confident60 Ų6099.3 Ų99.342%0.4257%0.566SS.*SBendtrans-65.1138.4176.171.40000109.7E64 F65 V66 V70E64-S68 PolarHBondContact O-N 2.95Å; F65-S68 WeakPolarHBondContact O-CB 3.43Å; F65-S68 PolarHBondContact O-N 3.1Å; F65-S68 VanDerWaalsContact O-N 3.17Å; F65-S68 PolarHBondContact O-OG 3.26Å; V66-S68 VanDerWaalsContact C-N 3.35Å; S68-V70 PolarHBondContact O-N 2.9Å
69S81.5Confident80.1Confident108 Ų108101.4 Ų101.476%0.75557%0.572SS**  trans-63.6130.2166-172.70000107.3P71S69-P71 WeakPolarHBondContact O-CD 2.99Å
70V79.3Confident78.6Confident128 Ų128101 Ų10178%0.77657%0.571SS**  trans-8497.5168.9-177.90000106.3S68 N72S68-V70 PolarHBondContact O-N 2.9Å; V70-N72 PolarHBondContact O-N 2.82Å
71P72.6Confident77Confident74 Ų7499.9 Ų99.948%0.48157%0.574SS.*  trans-65.5139.9178.829.8-35.7000108.6S69 L74S69-P71 WeakPolarHBondContact O-CD 2.99Å; P71-L74 HydrophobicContact CB-CD2 3.92Å; P71-L74 HydrophobicContact CG-CD2 3.94Å; P71-L74 HydrophobicContact CG-CG 4.38Å
72N71Confident75.5Confident157 Ų157105 Ų10584%0.8459%0.588SS**SBendtrans-54.7145.8157.6-72-45.2000108.5V70 L74V70-N72 PolarHBondContact O-N 2.82Å; N72-L74 PolarHBondContact O-N 3.29Å; N72-L74 VanDerWaalsContact O-N 3.15Å
73S69.4Low73.8Confident75 Ų75106.3 Ų106.352%0.52459%0.59SS.*  trans-28.7116.8-175.8-1790000112.7I75 R80S73-I75 PolarHBondContact O-N 3.26Å; S73-R80 PolarHBondContact OG-NH2 3.25Å
74L65.5Low72.1Confident139 Ų139107.5 Ų107.573%0.72859%0.588SS**SBendtrans-59.7-12.3-177.1-63.8174000113.4P71 N72 C76P71-L74 HydrophobicContact CB-CD2 3.92Å; P71-L74 HydrophobicContact CG-CD2 3.94Å; P71-L74 HydrophobicContact CG-CG 4.38Å; N72-L74 PolarHBondContact O-N 3.29Å; N72-L74 VanDerWaalsContact O-N 3.15Å; L74-C76 PolarHBondContact O-N 3.21Å
75I63.9Low70.5Confident76 Ų76110.1 Ų110.139%0.3960%0.599SS.*  trans-8399.1-179.7-51.1178.3000108.6S73 M79 R80S73-I75 PolarHBondContact O-N 3.26Å; I75-M79 HydrophobicContact CG2-CB 3.77Å; I75-R80 HydrophobicContact CB-CG 4.48Å; I75-R80 HydrophobicContact CG2-CB 4.41Å; I75-R80 HydrophobicContact CG2-CG 3.46Å; I75-R80 VanDerWaalsContact CG2-CG 3.46Å; I75-R80 PolarHBondContact O-NH1 3.38Å
76C61.4Low69.1Low88 Ų88106 Ų10660%0.59560%0.595SS**  trans-62.5152164.1-63.70000110.2L74 V78 M79 R80L74-C76 PolarHBondContact O-N 3.21Å; C76-V78 PolarHBondContact O-N 3.49Å; C76-M79 PolarHBondContact O-N 3.44Å; C76-R80 PolarHBondContact O-N 3.35Å
77S64.7Low67.8Low90 Ų90106.2 Ų106.263%0.62959%0.594SS**Hα-helixtrans-47.5-33.9178.352.10000113.6M79 R80 A81S77-M79 PolarHBondContact O-N 2.93Å; S77-R80 WeakPolarHBondContact O-CB 3.4Å; S77-R80 PolarHBondContact O-N 3.15Å; S77-A81 PolarHBondContact O-N 3.17Å
78V63.7Low66.7Low87 Ų87106.1 Ų106.153%0.52759%0.593SS.*Hα-helixtrans-63.2-39.7177.4-177.80000112.9C76 R82C76-V78 PolarHBondContact O-N 3.49Å; V78-R82 PolarHBondContact O-N 3.31Å
79M64.8Low66.3Low114 Ų114111.5 Ų111.556%0.56261%0.612SS**Hα-helixtrans-73.9-35175.4-74.3-169.7179.700111.6I75 C76 S77 A81 R82 N83I75-M79 HydrophobicContact CG2-CB 3.77Å; C76-M79 PolarHBondContact O-N 3.44Å; S77-M79 PolarHBondContact O-N 2.93Å; M79-A81 VanDerWaalsContact C-N 3.33Å; M79-A81 PolarHBondContact O-N 3.38Å; M79-R82 PolarHBondContact O-N 3.02Å; M79-N83 WeakPolarHBondContact O-CB 3.32Å; M79-N83 PolarHBondContact O-N 3.48Å; M79-N83 VanDerWaalsContact O-N 3.13Å; M79-N83 PolarHBondContact O-ND2 2.93Å
80R62.1Low66.4Low115 Ų115111.2 Ų111.243%0.43461%0.605SS.*Hα-helixtrans-57.9-47.4171.2-69.2-166.6174.984.27.4110.9S73 I75 C76 S77 R82 N83 H84S73-R80 PolarHBondContact OG-NH2 3.25Å; I75-R80 HydrophobicContact CB-CG 4.48Å; I75-R80 HydrophobicContact CG2-CB 4.41Å; I75-R80 HydrophobicContact CG2-CG 3.46Å; I75-R80 VanDerWaalsContact CG2-CG 3.46Å; I75-R80 PolarHBondContact O-NH1 3.38Å; C76-R80 PolarHBondContact O-N 3.35Å; S77-R80 WeakPolarHBondContact O-CB 3.4Å; S77-R80 PolarHBondContact O-N 3.15Å; R80-R82 PolarHBondContact O-N 3.36Å; R80-N83 PolarHBondContact O-N 3.09Å; R80-H84 PolarHBondContact O-CD2 2.68Å; R80-H84 PolarHBondContact O-N 3.1Å; R80-H84 VanDerWaalsContact O-N 3.11Å
81A62.8Low66.6Low71 Ų71111.3 Ų111.359%0.58760%0.595SS**Hα-helixtrans-63.5-38.7-178.700000113.4S77 M79S77-A81 PolarHBondContact O-N 3.17Å; M79-A81 VanDerWaalsContact C-N 3.33Å; M79-A81 PolarHBondContact O-N 3.38Å
82R61Low67.3Low204 Ų204112.8 Ų112.877%0.7761%0.608SS**Hα-helixtrans-71.7-32.7178.3-79.2-179.7162.9153.4-3.1113.6V78 M79 R80V78-R82 PolarHBondContact O-N 3.31Å; M79-R82 PolarHBondContact O-N 3.02Å; R80-R82 PolarHBondContact O-N 3.36Å
83N59.5Low68.3Low83 Ų83109 Ų10944%0.44461%0.606SS.*Hα-helixtrans-91.1-11.1-175.3-67-18.8000113.2M79 R80 H85 G86 I87M79-N83 WeakPolarHBondContact O-CB 3.32Å; M79-N83 PolarHBondContact O-N 3.48Å; M79-N83 VanDerWaalsContact O-N 3.13Å; M79-N83 PolarHBondContact O-ND2 2.93Å; R80-N83 PolarHBondContact O-N 3.09Å; N83-H85 PolarHBondContact O-N 3.19Å; N83-G86 PolarHBondContact O-N 3.07Å; N83-I87 HydrophobicContact CB-CD1 3.85Å; N83-I87 HydrophobicContact CB-CG2 3.83Å; N83-I87 VanDerWaalsContact O-CG1 3.22Å; N83-I87 WeakPolarHBondContact O-CG1 3.42Å; N83-I87 WeakPolarHBondContact O-CG2 3.33Å; N83-I87 PolarHBondContact O-N 2.83Å
84H58Low69.3Low114 Ų114113.3 Ų113.353%0.52862%0.615SS.*THydrogen-bonded Turntrans-60.4-17.3-175.5-105.1-55.7000115.2R80 G86R80-H84 PolarHBondContact O-CD2 2.68Å; R80-H84 PolarHBondContact O-N 3.1Å; R80-H84 VanDerWaalsContact O-N 3.11Å; H84-G86 VanDerWaalsContact C-N 3.32Å; H84-G86 PolarHBondContact O-N 3.41Å
85H58.5Low70.5Confident201 Ų201112.3 Ų112.393%0.93162%0.62SS**THydrogen-bonded Turntrans-8611.3-177.1-12165.9000115.3N83N83-H85 PolarHBondContact O-N 3.19Å
86G61.3Low71.8Confident49 Ų49117.2 Ų117.251%0.50564%0.635SS.*THydrogen-bonded Turntrans-167.5-11.5175.800000116.8N83 H84 T90N83-G86 PolarHBondContact O-N 3.07Å; H84-G86 VanDerWaalsContact C-N 3.32Å; H84-G86 PolarHBondContact O-N 3.41Å; G86-T90 PolarHBondContact O-OG1 2.85Å
87I64.6Low73.2Confident66 Ų66118.9 Ų118.934%0.33864%0.642SS.*Hα-helixtrans-74.8-26.6179.763.8-178.4000113.9N83 E89 T90 F91N83-I87 HydrophobicContact CB-CD1 3.85Å; N83-I87 HydrophobicContact CB-CG2 3.83Å; N83-I87 VanDerWaalsContact O-CG1 3.22Å; N83-I87 WeakPolarHBondContact O-CG1 3.42Å; N83-I87 WeakPolarHBondContact O-CG2 3.33Å; N83-I87 PolarHBondContact O-N 2.83Å; I87-E89 PolarHBondContact O-N 3.33Å; I87-T90 WeakPolarHBondContact O-CB 3.42Å; I87-T90 PolarHBondContact O-N 2.8Å; I87-F91 WeakPolarHBondContact O-CD2 3.28Å
88D67.6Low74.4Confident130 Ų130118 Ų11870%0.69563%0.634SS**Hα-helixtrans-69.4-36.8-168-153.223.4000111.7
89E79Confident75.7Confident173 Ų173120.2 Ų120.281%0.80865%0.648SS**Hα-helixtrans-79.3-26.7174.1-63.7-168.9165.200113.1I87 F91 S92I87-E89 PolarHBondContact O-N 3.33Å; E89-F91 PolarHBondContact O-N 2.95Å; E89-F91 VanDerWaalsContact O-N 3.15Å; E89-S92 WeakPolarHBondContact O-CB 3.32Å; E89-S92 PolarHBondContact O-N 3.27Å; E89-S92 VanDerWaalsContact O-N 3.1Å
90T83.8Confident76.7Confident101 Ų101122.6 Ų122.662%0.6266%0.655SS**Hα-helixtrans-58.4-31-178.9-59.60000112.1G86 I87G86-T90 PolarHBondContact O-OG1 2.85Å; I87-T90 WeakPolarHBondContact O-CB 3.42Å; I87-T90 PolarHBondContact O-N 2.8Å
91F84.5Confident77.3Confident130 Ų130124.1 Ų124.157%0.5767%0.672SS**THydrogen-bonded Turntrans-111.116.9-179.1-57.9-77.1000113.3I87 E89 G93 F94I87-F91 WeakPolarHBondContact O-CD2 3.28Å; E89-F91 PolarHBondContact O-N 2.95Å; E89-F91 VanDerWaalsContact O-N 3.15Å; F91-G93 PolarHBondContact O-N 3.35Å; F91-F94 HydrophobicContact CB-CB 4.18Å; F91-F94 WeakPolarHBondContact O-CB 3.27Å; F91-F94 PolarHBondContact O-N 3.33Å
92S87.3Confident77.4Confident106 Ų106127.7 Ų127.774%0.74168%0.68SS**THydrogen-bonded Turntrans-58.5126.2172.8-172.10000110.2E89E89-S92 WeakPolarHBondContact O-CB 3.32Å; E89-S92 PolarHBondContact O-N 3.27Å; E89-S92 VanDerWaalsContact O-N 3.1Å
93G90.1Very high77.2Confident77 Ų77126.7 Ų126.779%0.79468%0.683SS**THydrogen-bonded Turntrans87.54.7-174.600000115.8F91F91-G93 PolarHBondContact O-N 3.35Å
94F91Very high76.3Confident166 Ų166131 Ų13173%0.72872%0.721SS**  trans-71.1-33.3178.1-173.4-97.4000113.7F91F91-F94 HydrophobicContact CB-CB 4.18Å; F91-F94 WeakPolarHBondContact O-CB 3.27Å; F91-F94 PolarHBondContact O-N 3.33Å
95S90.6Very high77.2Confident118 Ų118131.9 Ų131.983%0.82573%0.73SS**  trans-68.9133.4-179.2-59.10000111.8
96Y91.5Very high78.2Confident178 Ų178128.3 Ų128.370%0.69872%0.72SS**  trans-136.3137.7179.7172.6-105000111P98Y96-P98 HydrophobicContact CD1-CG 4.36Å; Y96-P98 HydrophobicContact CE1-CB 4.12Å; Y96-P98 HydrophobicContact CE1-CG 3.73Å
97V91.4Very high79.1Confident123 Ų123132.7 Ų132.775%0.74573%0.732SS**  trans-121.5122169.3-179.90000107.5T99V97-T99 PolarHBondContact O-N 3.22Å
98P90Very high80Confident72 Ų72136.6 Ų136.647%0.46876%0.755SS.*  trans-56.8131.5176.2-21.329.8000111.9Y96 K100Y96-P98 HydrophobicContact CD1-CG 4.36Å; Y96-P98 HydrophobicContact CE1-CB 4.12Å; Y96-P98 HydrophobicContact CE1-CG 3.73Å; P98-K100 PolarHBondContact O-N 2.94Å
99T89.5Confident80.8Confident134 Ų134137 Ų13782%0.82276%0.758SS**SBendtrans-75.9-12.4178.158.10000113.3V97V97-T99 PolarHBondContact O-N 3.22Å
100K86.6Confident80.9Confident163 Ų163134.6 Ų134.671%0.70976%0.755SS**SBendtrans-129.3128.2176.8-63.5-177.2-179-179.20109.5P98 I102P98-K100 PolarHBondContact O-N 2.94Å; K100-I102 PolarHBondContact O-N 3.06Å
101N74.8Confident80.7Confident147 Ų147137 Ų13779%0.78677%0.765SS**  trans-71.9114164.2-91.1-27.9000108.3H103N101-H103 PolarHBondContact O-N 2.74Å
102I64.3Low80.4Confident146 Ų146137.5 Ų137.575%0.74978%0.78SS**THydrogen-bonded Turntrans-85.912.9-178.6-30.2176.8000111.5K100K100-I102 PolarHBondContact O-N 3.06Å
103H57.4Low79.8Confident183 Ų183140.2 Ų140.285%0.84778%0.783SS**THydrogen-bonded Turntrans-133.723.1-172.8-63.9-53.7000114N101N101-H103 PolarHBondContact O-N 2.74Å
104S40.4Very low78.9Confident175 Ų175145.9 Ų145.9100%1.22478%0.782SS**  trans-96.80163.2-79.90000111.4

Retrieved 104 of 104 residues in 41 ms (Link to these results)