A0A3Q0KJR0_SCHMA Loading...

Receptor expression-enhancing protein

AlphaFold DB , UniProt , Accession A0A3Q0KJR0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 189 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
1M69.9Low82.2Confident206 Ų206120.9 Ų120.9100%1.01561%0.614SS**  0-47.80-71-93.1-93.300111.5K3 L4 A5M1-K3 PolarHBondContact O-N 2.71Å; M1-L4 PolarHBondContact O-N 3.21Å; M1-L4 VanDerWaalsContact O-N 3.14Å; M1-A5 PolarHBondContact O-N 3.44Å
2E81.1Confident82.3Confident176 Ų176115.5 Ų115.582%0.82259%0.585SS**Hα-helixtrans-54.2-43.1-179.3-70.7-177.6132.900115.3L4 A5 G6E2-L4 VanDerWaalsContact C-N 3.28Å; E2-L4 PolarHBondContact O-N 3.2Å; E2-A5 PolarHBondContact O-N 3.17Å; E2-G6 PolarHBondContact O-N 3.01Å
3K80.5Confident82.6Confident190 Ų190113.4 Ų113.483%0.82658%0.576SS**Hα-helixtrans-58.3-37.6178.6-70.2-170.8177.8-176.70113.2M1 G6 T7M1-K3 PolarHBondContact O-N 2.71Å; K3-G6 PolarHBondContact O-N 2.7Å; K3-T7 PolarHBondContact O-N 3.02Å; K3-T7 PolarHBondContact O-OG1 3.28Å
4L79.1Confident82.5Confident127 Ų127109.9 Ų109.967%0.66557%0.568SS**Hα-helixtrans-71.8-36.3179-71170.1000112M1 E2 T7 R8M1-L4 PolarHBondContact O-N 3.21Å; M1-L4 VanDerWaalsContact O-N 3.14Å; E2-L4 VanDerWaalsContact C-N 3.28Å; E2-L4 PolarHBondContact O-N 3.2Å; L4-T7 WeakPolarHBondContact CA-OG1 3.24Å; L4-T7 PolarHBondContact O-OG1 2.93Å; L4-R8 WeakPolarHBondContact O-CB 3.41Å; L4-R8 PolarHBondContact O-N 3.32Å
5A84.5Confident82.2Confident65 Ų65103.9 Ų103.954%0.53754%0.537SS..Hα-helixtrans-66.8-40.7174.700000111M1 E2 R8 K9M1-A5 PolarHBondContact O-N 3.44Å; E2-A5 PolarHBondContact O-N 3.17Å; A5-R8 PolarHBondContact O-N 2.82Å; A5-K9 PolarHBondContact O-N 2.7Å
6G85.1Confident82Confident33 Ų33105.7 Ų105.734%0.3454%0.539SS..Hα-helixtrans-60.8-48.2174.900000112.7E2 K3 R8 K9 I10E2-G6 PolarHBondContact O-N 3.01Å; K3-G6 PolarHBondContact O-N 2.7Å; G6-R8 PolarHBondContact O-N 3.11Å; G6-K9 PolarHBondContact O-N 2.9Å; G6-I10 WeakPolarHBondContact O-CG1 3.48Å; G6-I10 PolarHBondContact O-N 2.92Å; G6-I10 VanDerWaalsContact O-N 3.08Å
7T84.6Confident82.1Confident81 Ų81106.4 Ų106.450%0.49754%0.54SS..Hα-helixtrans-63.8-40.2177.949.20000112.5K3 L4 K9 I10 L11K3-T7 PolarHBondContact O-N 3.02Å; K3-T7 PolarHBondContact O-OG1 3.28Å; L4-T7 WeakPolarHBondContact CA-OG1 3.24Å; L4-T7 PolarHBondContact O-OG1 2.93Å; T7-K9 PolarHBondContact O-N 3.41Å; T7-I10 PolarHBondContact O-N 3.3Å; T7-L11 PolarHBondContact O-N 3.45Å
8R83.9Confident81.9Confident123 Ų123111.5 Ų111.546%0.46456%0.558SS.*Hα-helixtrans-59.2-46.4174.9-179.3179.8169.8169.72.8111.6L4 A5 G6 L11 E12 L37L4-R8 WeakPolarHBondContact O-CB 3.41Å; L4-R8 PolarHBondContact O-N 3.32Å; A5-R8 PolarHBondContact O-N 2.82Å; G6-R8 PolarHBondContact O-N 3.11Å; R8-L11 WeakPolarHBondContact O-CB 3.32Å; R8-L11 PolarHBondContact O-N 3.31Å; R8-E12 HydrophobicContact CG-CG 4.49Å; R8-E12 IonicContact CZ-OE1 3.81Å; R8-E12 IonicContact NE-OE1 2.72Å; R8-E12 PolarHBondContact NE-OE1 3.42Å; R8-E12 IonicContact NH2-OE1 2.72Å; R8-E12 PolarHBondContact NH2-OE1 2.98Å; R8-E12 PolarHBondContact O-N 3.18Å; R8-L37 HydrophobicContact CG-CD2 3.97Å
9K86.3Confident81.8Confident134 Ų134109.9 Ų109.958%0.58355%0.551SS**Hα-helixtrans-62.8-43.6-179.6-167.1179.4179.3-176.60111.9A5 G6 T7 L11 E12 D13A5-K9 PolarHBondContact O-N 2.7Å; G6-K9 PolarHBondContact O-N 2.9Å; T7-K9 PolarHBondContact O-N 3.41Å; K9-L11 VanDerWaalsContact C-N 3.29Å; K9-L11 PolarHBondContact O-N 2.84Å; K9-E12 PolarHBondContact O-N 3.13Å; K9-D13 WeakPolarHBondContact O-CB 3.41Å; K9-D13 PolarHBondContact O-N 3.22Å
10I85.8Confident82.2Confident110 Ų110115.2 Ų115.256%0.56456%0.564SS**Hα-helixtrans-58.5-42.7174.5-67.4165.7000110.9G6 T7 S14G6-I10 WeakPolarHBondContact O-CG1 3.48Å; G6-I10 PolarHBondContact O-N 2.92Å; G6-I10 VanDerWaalsContact O-N 3.08Å; T7-I10 PolarHBondContact O-N 3.3Å; I10-S14 WeakPolarHBondContact O-CB 3.39Å; I10-S14 PolarHBondContact O-N 3.07Å; I10-S14 PolarHBondContact O-OG 3.5Å
11L83Confident82.2Confident85 Ų85113.8 Ų113.845%0.44556%0.555SS.*Hα-helixtrans-63.4-48.7176.4-122.684.3000111.4T7 R8 K9 D13 S14 L15 L37T7-L11 PolarHBondContact O-N 3.45Å; R8-L11 WeakPolarHBondContact O-CB 3.32Å; R8-L11 PolarHBondContact O-N 3.31Å; K9-L11 VanDerWaalsContact C-N 3.29Å; K9-L11 PolarHBondContact O-N 2.84Å; L11-D13 VanDerWaalsContact C-N 3.34Å; L11-D13 PolarHBondContact O-N 3.26Å; L11-S14 PolarHBondContact O-N 3.24Å; L11-L15 WeakPolarHBondContact O-CB 3.41Å; L11-L15 VanDerWaalsContact O-CG 3.24Å; L11-L15 WeakPolarHBondContact O-CG 3.46Å; L11-L15 PolarHBondContact O-N 2.81Å; L11-L37 HydrophobicContact CB-CD1 4.12Å; L11-L37 HydrophobicContact CD2-CD1 3.68Å; L11-L37 HydrophobicContact CG-CD1 4.47Å
12E84.1Confident82.9Confident56 Ų56104.4 Ų104.426%0.26251%0.51SS..Hα-helixtrans-59.8-42.7179-75-179.5-171.600112.3R8 K9 L15 K16 L37R8-E12 HydrophobicContact CG-CG 4.49Å; R8-E12 IonicContact CZ-OE1 3.81Å; R8-E12 IonicContact NE-OE1 2.72Å; R8-E12 PolarHBondContact NE-OE1 3.42Å; R8-E12 IonicContact NH2-OE1 2.72Å; R8-E12 PolarHBondContact NH2-OE1 2.98Å; R8-E12 PolarHBondContact O-N 3.18Å; K9-E12 PolarHBondContact O-N 3.13Å; E12-L15 PolarHBondContact O-N 3.27Å; E12-K16 WeakPolarHBondContact O-CG 3.05Å; E12-K16 PolarHBondContact O-N 3.07Å; E12-K16 VanDerWaalsContact O-N 3.13Å; E12-L37 HydrophobicContact CG-CD1 4.48Å; E12-L37 HydrophobicContact CG-CD2 4Å
13D85.4Confident83.1Confident88 Ų8897.5 Ų97.547%0.47149%0.486SS..Hα-helixtrans-66.1-40.9178-70.6-19.9000111K9 L11 L15 K16 Q17K9-D13 WeakPolarHBondContact O-CB 3.41Å; K9-D13 PolarHBondContact O-N 3.22Å; L11-D13 VanDerWaalsContact C-N 3.34Å; L11-D13 PolarHBondContact O-N 3.26Å; D13-L15 VanDerWaalsContact C-N 3.31Å; D13-L15 PolarHBondContact O-N 3.41Å; D13-K16 PolarHBondContact O-N 2.77Å; D13-Q17 PolarHBondContact O-N 2.78Å
14S81.1Confident83.4Confident65 Ų6593 Ų9346%0.45547%0.471SS..Hα-helixtrans-64.1-34.8175.1-57.10000112.3I10 L11 K16 Q17I10-S14 WeakPolarHBondContact O-CB 3.39Å; I10-S14 PolarHBondContact O-N 3.07Å; I10-S14 PolarHBondContact O-OG 3.5Å; L11-S14 PolarHBondContact O-N 3.24Å; S14-K16 VanDerWaalsContact C-N 3.32Å; S14-Q17 WeakPolarHBondContact O-CB 3.45Å; S14-Q17 PolarHBondContact O-N 3.42Å
15L79Confident83.8Confident20 Ų2087.5 Ų87.511%0.10544%0.441CS..Hα-helixtrans-76.5-16.1176.9-69.2177.7000113.9L11 E12 D13 T22 L25 L37 V40L11-L15 WeakPolarHBondContact O-CB 3.41Å; L11-L15 VanDerWaalsContact O-CG 3.24Å; L11-L15 WeakPolarHBondContact O-CG 3.46Å; L11-L15 PolarHBondContact O-N 2.81Å; E12-L15 PolarHBondContact O-N 3.27Å; D13-L15 VanDerWaalsContact C-N 3.31Å; D13-L15 PolarHBondContact O-N 3.41Å; L15-T22 VanDerWaalsContact O-CG2 3.27Å; L15-T22 WeakPolarHBondContact O-CG2 3.35Å; L15-L25 HydrophobicContact CD2-CD1 3.95Å; L15-L37 HydrophobicContact CD1-CB 4.25Å; L15-L37 HydrophobicContact CD1-CD1 3.91Å; L15-V40 HydrophobicContact CD1-CB 4.3Å; L15-V40 HydrophobicContact CD1-CG2 4.25Å; L15-V40 HydrophobicContact CD2-CB 4.36Å; L15-V40 HydrophobicContact CD2-CG1 4.38Å; L15-V40 HydrophobicContact CD2-CG2 3.72Å
16K79.2Confident83.8Confident132 Ų13287.7 Ų87.757%0.57443%0.431SS*.Hα-helixtrans-90.1-13.6173.8-72.7174.7-176172.30113.1E12 D13 S14 K18E12-K16 WeakPolarHBondContact O-CG 3.05Å; E12-K16 PolarHBondContact O-N 3.07Å; E12-K16 VanDerWaalsContact O-N 3.13Å; D13-K16 PolarHBondContact O-N 2.77Å; S14-K16 VanDerWaalsContact C-N 3.32Å; K16-K18 PolarHBondContact O-N 3.16Å
17Q83.7Confident83.9Confident118 Ų11893.7 Ų93.755%0.55145%0.448SS*.SBendtrans-63.5122.6178.7-171.7-177.63.400110.8D13 S14 N19 T22D13-Q17 PolarHBondContact O-N 2.78Å; S14-Q17 WeakPolarHBondContact O-CB 3.45Å; S14-Q17 PolarHBondContact O-N 3.42Å; Q17-N19 PolarHBondContact O-N 2.92Å; Q17-T22 WeakPolarHBondContact O-CB 3.48Å; Q17-T22 WeakPolarHBondContact O-CG2 3.39Å; Q17-T22 PolarHBondContact O-OG1 2.9Å
18K77.5Confident84.1Confident198 Ų19892.6 Ų92.686%0.86144%0.441SS*.  trans-63.495.4-178-84-173.6175.5-179.20112.1K16K16-K18 PolarHBondContact O-N 3.16Å
19N81.3Confident84.2Confident82 Ų8288.7 Ų88.744%0.43943%0.428SS..  trans-129.4161.7171.5-69.3-37000109.9Q17 F21 T22 G23Q17-N19 PolarHBondContact O-N 2.92Å; N19-F21 PolarHBondContact O-N 3.29Å; N19-T22 HydrophobicContact CB-CG2 4.48Å; N19-T22 PolarHBondContact N-OG1 3.14Å; N19-T22 PolarHBondContact O-N 2.92Å; N19-T22 PolarHBondContact O-OG1 3.26Å; N19-G23 PolarHBondContact O-N 3Å
20W88.1Confident84.3Confident215 Ų21589.7 Ų89.781%0.81443%0.432SS*.Hα-helixtrans-52.6-40.4178.674.6-83.4000112.8G23 L24W20-G23 PolarHBondContact O-N 3.17Å; W20-L24 PolarHBondContact O-N 3.43Å; W20-L24 VanDerWaalsContact O-N 3.16Å
21F83Confident84.5Confident85 Ų8593.7 Ų93.737%0.37345%0.446SS..Hα-helixtrans-63.5-43.3176.3-177.6-110.8000112.5N19 G23 L24 L25 V40N19-F21 PolarHBondContact O-N 3.29Å; F21-G23 VanDerWaalsContact C-N 3.29Å; F21-G23 PolarHBondContact O-N 2.8Å; F21-L24 WeakPolarHBondContact O-CB 3.27Å; F21-L24 PolarHBondContact O-N 3.42Å; F21-L24 VanDerWaalsContact O-N 3.14Å; F21-L25 HydrophobicContact CD1-CD1 3.82Å; F21-L25 HydrophobicContact CD1-CG 4.34Å; F21-L25 HydrophobicContact CE1-CD1 3.52Å; F21-L25 HydrophobicContact CE1-CD2 4.5Å; F21-L25 HydrophobicContact CE1-CG 4.09Å; F21-L25 HydrophobicContact CZ-CD1 4.16Å; F21-L25 HydrophobicContact CZ-CD2 4.33Å; F21-L25 HydrophobicContact CZ-CG 4.31Å; F21-L25 WeakPolarHBondContact O-CG 3.47Å; F21-L25 PolarHBondContact O-N 3.39Å; F21-V40 HydrophobicContact CE1-CG2 4.31Å; F21-V40 HydrophobicContact CZ-CG2 4.49Å
22T84.1Confident84.6Confident10 Ų1092.7 Ų92.76%0.06145%0.446CS..Hα-helixtrans-67.9-29.4176.764.30000112.6L15 Q17 N19 L24 L25 E26L15-T22 VanDerWaalsContact O-CG2 3.27Å; L15-T22 WeakPolarHBondContact O-CG2 3.35Å; Q17-T22 WeakPolarHBondContact O-CB 3.48Å; Q17-T22 WeakPolarHBondContact O-CG2 3.39Å; Q17-T22 PolarHBondContact O-OG1 2.9Å; N19-T22 HydrophobicContact CB-CG2 4.48Å; N19-T22 PolarHBondContact N-OG1 3.14Å; N19-T22 PolarHBondContact O-N 2.92Å; N19-T22 PolarHBondContact O-OG1 3.26Å; T22-L24 VanDerWaalsContact C-N 3.34Å; T22-L25 PolarHBondContact O-N 2.91Å; T22-E26 WeakPolarHBondContact O-CB 3.39Å; T22-E26 PolarHBondContact O-N 3.24Å
23G86.2Confident84.6Confident31 Ų3193.2 Ų93.232%0.3247%0.466SS..Hα-helixtrans-67-34.9171.600000112.5N19 W20 F21 K27N19-G23 PolarHBondContact O-N 3Å; W20-G23 PolarHBondContact O-N 3.17Å; F21-G23 VanDerWaalsContact C-N 3.29Å; F21-G23 PolarHBondContact O-N 2.8Å; G23-K27 WeakPolarHBondContact O-CG 3.48Å; G23-K27 PolarHBondContact O-N 2.73Å
24L86Confident84.7Confident96 Ų9692.1 Ų92.150%0.50346%0.463SS..Hα-helixtrans-67.3-46.3169.9-177.165.9000110.9W20 F21 T22 E26 K27 V28W20-L24 PolarHBondContact O-N 3.43Å; W20-L24 VanDerWaalsContact O-N 3.16Å; F21-L24 WeakPolarHBondContact O-CB 3.27Å; F21-L24 PolarHBondContact O-N 3.42Å; F21-L24 VanDerWaalsContact O-N 3.14Å; T22-L24 VanDerWaalsContact C-N 3.34Å; L24-E26 VanDerWaalsContact C-N 3.33Å; L24-E26 PolarHBondContact O-N 3.08Å; L24-K27 WeakPolarHBondContact O-CB 3.15Å; L24-K27 PolarHBondContact O-N 3.36Å; L24-V28 WeakPolarHBondContact O-CG2 3.5Å; L24-V28 PolarHBondContact O-N 3.08Å
25L87.1Confident85.1Confident10 Ų1093.3 Ų93.35%0.05246%0.464CS..Hα-helixtrans-59.9-40.6176.7-70.1174.8000112.5L15 F21 T22 V28 E29 R36 I39 V40L15-L25 HydrophobicContact CD2-CD1 3.95Å; F21-L25 HydrophobicContact CD1-CD1 3.82Å; F21-L25 HydrophobicContact CD1-CG 4.34Å; F21-L25 HydrophobicContact CE1-CD1 3.52Å; F21-L25 HydrophobicContact CE1-CD2 4.5Å; F21-L25 HydrophobicContact CE1-CG 4.09Å; F21-L25 HydrophobicContact CZ-CD1 4.16Å; F21-L25 HydrophobicContact CZ-CD2 4.33Å; F21-L25 HydrophobicContact CZ-CG 4.31Å; F21-L25 WeakPolarHBondContact O-CG 3.47Å; F21-L25 PolarHBondContact O-N 3.39Å; T22-L25 PolarHBondContact O-N 2.91Å; L25-V28 PolarHBondContact O-N 2.91Å; L25-E29 VanDerWaalsContact O-CB 3.3Å; L25-E29 WeakPolarHBondContact O-CB 3.49Å; L25-E29 PolarHBondContact O-N 3.5Å; L25-R36 HydrophobicContact CB-CG 4.44Å; L25-I39 HydrophobicContact CD2-CG2 3.87Å; L25-V40 HydrophobicContact CD1-CG2 3.48Å; L25-V40 VanDerWaalsContact CD1-CG2 3.48Å; L25-V40 HydrophobicContact CD2-CG2 3.65Å; L25-V40 HydrophobicContact CG-CG2 4.23Å
26E85.1Confident85.4Confident70 Ų7095 Ų9533%0.32747%0.469SS..Hα-helixtrans-65.9-38.1177.4-169.5-174.4160.200111.5T22 L24 V28 K30T22-E26 WeakPolarHBondContact O-CB 3.39Å; T22-E26 PolarHBondContact O-N 3.24Å; L24-E26 VanDerWaalsContact C-N 3.33Å; L24-E26 PolarHBondContact O-N 3.08Å; E26-V28 VanDerWaalsContact C-N 3.34Å; E26-K30 HydrophobicContact CG-CD 4.48Å; E26-K30 WeakPolarHBondContact O-CB 3.3Å; E26-K30 WeakPolarHBondContact O-CG 3.5Å; E26-K30 PolarHBondContact O-N 3.12Å; E26-K30 VanDerWaalsContact OE1-CE 3.24Å; E26-K30 WeakPolarHBondContact OE1-CE 3.35Å; E26-K30 IonicContact OE1-NZ 2.71Å; E26-K30 PolarHBondContact OE1-NZ 3.49Å
27K87.8Confident85.7Confident158 Ų15889.7 Ų89.769%0.68745%0.447SS*.Hα-helixtrans-63.6-40.4172.3-75.4177.8-178.8179.80111.7G23 L24 K31G23-K27 WeakPolarHBondContact O-CG 3.48Å; G23-K27 PolarHBondContact O-N 2.73Å; L24-K27 WeakPolarHBondContact O-CB 3.15Å; L24-K27 PolarHBondContact O-N 3.36Å; K27-K31 WeakPolarHBondContact O-CB 3.34Å; K27-K31 PolarHBondContact O-N 3.01Å
28V87.6Confident85.9Confident59 Ų5990.1 Ų90.136%0.35844%0.444SS..Hα-helixtrans-68.4-46.9177.5178.10000110.6L24 L25 E26 K30 K31 S32 I39L24-V28 WeakPolarHBondContact O-CG2 3.5Å; L24-V28 PolarHBondContact O-N 3.08Å; L25-V28 PolarHBondContact O-N 2.91Å; E26-V28 VanDerWaalsContact C-N 3.34Å; V28-K30 PolarHBondContact O-N 3.19Å; V28-K31 PolarHBondContact O-N 3.05Å; V28-K31 VanDerWaalsContact O-N 3.07Å; V28-S32 WeakPolarHBondContact O-CB 3.36Å; V28-S32 PolarHBondContact O-N 3.06Å; V28-S32 PolarHBondContact O-OG 2.97Å; V28-S32 VanDerWaalsContact O-OG 3.07Å; V28-I39 HydrophobicContact CB-CD1 4.34Å; V28-I39 HydrophobicContact CG1-CD1 3.81Å; V28-I39 HydrophobicContact CG1-CG2 4.24Å
29E86.4Confident86.4Confident41 Ų4182.3 Ų82.319%0.19241%0.411CS..Hα-helixtrans-56-46.9175.5172.7179.8-127.500111.4L25 K31 S32 G33 V34 R36 I39L25-E29 VanDerWaalsContact O-CB 3.3Å; L25-E29 WeakPolarHBondContact O-CB 3.49Å; L25-E29 PolarHBondContact O-N 3.5Å; E29-K31 PolarHBondContact O-N 3.3Å; E29-S32 PolarHBondContact O-N 3.45Å; E29-G33 VanDerWaalsContact O-CA 3.27Å; E29-G33 WeakPolarHBondContact O-CA 3.27Å; E29-G33 PolarHBondContact O-N 2.7Å; E29-V34 WeakPolarHBondContact CG-O 3.26Å; E29-R36 HydrophobicContact CB-CG 4.24Å; E29-R36 HydrophobicContact CG-CG 4.42Å; E29-R36 WeakPolarHBondContact OE1-CG 3.24Å; E29-R36 IonicContact OE1-NE 2.78Å; E29-R36 WeakPolarHBondContact OE2-CG 3.49Å; E29-R36 IonicContact OE2-CZ 3.43Å; E29-R36 VanDerWaalsContact OE2-CZ 3.31Å; E29-R36 IonicContact OE2-NE 2.8Å; E29-R36 PolarHBondContact OE2-NE 2.88Å; E29-R36 IonicContact OE2-NH2 3.17Å; E29-R36 PolarHBondContact OE2-NH2 3.03Å; E29-R36 VanDerWaalsContact OE2-NH2 3.11Å; E29-I39 HydrophobicContact CB-CD1 4.18Å
30K88.7Confident86.7Confident154 Ų15479.7 Ų79.767%0.6740%0.399SS*.Hα-helixtrans-63.2-28.6177.3-76.1178.1-175.3169.30113.4E26 V28E26-K30 HydrophobicContact CG-CD 4.48Å; E26-K30 WeakPolarHBondContact O-CB 3.3Å; E26-K30 WeakPolarHBondContact O-CG 3.5Å; E26-K30 PolarHBondContact O-N 3.12Å; E26-K30 VanDerWaalsContact OE1-CE 3.24Å; E26-K30 WeakPolarHBondContact OE1-CE 3.35Å; E26-K30 IonicContact OE1-NZ 2.71Å; E26-K30 PolarHBondContact OE1-NZ 3.49Å; V28-K30 PolarHBondContact O-N 3.19Å
31K90.1Very high86.6Confident195 Ų19572.6 Ų72.685%0.84838%0.379SS*.Hα-helixtrans-88.2-37.7-178.8-169174.5-177.7-178.50112.6K27 V28 E29K27-K31 WeakPolarHBondContact O-CB 3.34Å; K27-K31 PolarHBondContact O-N 3.01Å; V28-K31 PolarHBondContact O-N 3.05Å; V28-K31 VanDerWaalsContact O-N 3.07Å; E29-K31 PolarHBondContact O-N 3.3Å
32S85.5Confident87Confident63 Ų6370.1 Ų70.144%0.44138%0.378SS..Hα-helixtrans-92.3-22.6-17870.60000113.6V28 E29 V34V28-S32 WeakPolarHBondContact O-CB 3.36Å; V28-S32 PolarHBondContact O-N 3.06Å; V28-S32 PolarHBondContact O-OG 2.97Å; V28-S32 VanDerWaalsContact O-OG 3.07Å; E29-S32 PolarHBondContact O-N 3.45Å; S32-V34 PolarHBondContact O-N 3.48Å; S32-V34 PolarHBondContact OG-N 3.06Å
33G84.7Confident87.2Confident67 Ų6772.3 Ų72.369%0.69139%0.393SS*.  trans72.58.9-172.600000114.4E29E29-G33 VanDerWaalsContact O-CA 3.27Å; E29-G33 WeakPolarHBondContact O-CA 3.27Å; E29-G33 PolarHBondContact O-N 2.7Å
34V87.6Confident87.3Confident65 Ų6573.3 Ų73.339%0.39440%0.399SS..  trans-100.2135.6-177.8-179.30000110.2E29 S32 I39E29-V34 WeakPolarHBondContact CG-O 3.26Å; S32-V34 PolarHBondContact O-N 3.48Å; S32-V34 PolarHBondContact OG-N 3.06Å; V34-I39 HydrophobicContact CB-CD1 4.47Å; V34-I39 HydrophobicContact CB-CG1 4.22Å; V34-I39 HydrophobicContact CG1-CG1 4.14Å; V34-I39 WeakPolarHBondContact O-CD1 3.42Å
35D87.6Confident87.5Confident91 Ų9172.4 Ų72.449%0.48740%0.397SS..  trans-58.1143.5-179.9-56.5-44.4000112.3L37 Y38 I39D35-L37 PolarHBondContact O-N 2.97Å; D35-L37 VanDerWaalsContact O-N 3.08Å; D35-Y38 HydrophobicContact CB-CD2 3.93Å; D35-Y38 HydrophobicContact CB-CE2 4.45Å; D35-Y38 PolarHBondContact O-N 3.48Å; D35-I39 PolarHBondContact O-N 3.45Å; D35-I39 VanDerWaalsContact O-N 3.12Å
36R85.8Confident87.6Confident54 Ų5476.6 Ų76.620%0.20442%0.422CS..Hα-helixtrans-51.8-36.1-179.5-49.3175.5-152.7-170.7-2.8113.4L25 E29 I39 V40L25-R36 HydrophobicContact CB-CG 4.44Å; E29-R36 HydrophobicContact CB-CG 4.24Å; E29-R36 HydrophobicContact CG-CG 4.42Å; E29-R36 WeakPolarHBondContact OE1-CG 3.24Å; E29-R36 IonicContact OE1-NE 2.78Å; E29-R36 WeakPolarHBondContact OE2-CG 3.49Å; E29-R36 IonicContact OE2-CZ 3.43Å; E29-R36 VanDerWaalsContact OE2-CZ 3.31Å; E29-R36 IonicContact OE2-NE 2.8Å; E29-R36 PolarHBondContact OE2-NE 2.88Å; E29-R36 IonicContact OE2-NH2 3.17Å; E29-R36 PolarHBondContact OE2-NH2 3.03Å; E29-R36 VanDerWaalsContact OE2-NH2 3.11Å; R36-I39 PolarHBondContact O-N 3.33Å; R36-V40 WeakPolarHBondContact O-CG2 3.44Å; R36-V40 PolarHBondContact O-N 3.2Å
37L85.6Confident87.5Confident22 Ų2278.9 Ų78.912%0.11544%0.435CS..Hα-helixtrans-61.8-45.4179.5-178.567.7000111.5R8 L11 E12 L15 D35 V40 T41R8-L37 HydrophobicContact CG-CD2 3.97Å; L11-L37 HydrophobicContact CB-CD1 4.12Å; L11-L37 HydrophobicContact CD2-CD1 3.68Å; L11-L37 HydrophobicContact CG-CD1 4.47Å; E12-L37 HydrophobicContact CG-CD1 4.48Å; E12-L37 HydrophobicContact CG-CD2 4Å; L15-L37 HydrophobicContact CD1-CB 4.25Å; L15-L37 HydrophobicContact CD1-CD1 3.91Å; D35-L37 PolarHBondContact O-N 2.97Å; D35-L37 VanDerWaalsContact O-N 3.08Å; L37-V40 PolarHBondContact O-N 2.79Å; L37-T41 VanDerWaalsContact O-CB 3.26Å; L37-T41 WeakPolarHBondContact O-CB 3.44Å; L37-T41 PolarHBondContact O-N 3.17Å; L37-T41 PolarHBondContact O-OG1 3.33Å
38Y88.5Confident87.3Confident127 Ų12777.6 Ų77.650%0.49843%0.429SS..Hα-helixtrans-72.1-34.2178.6-64.4-68000111.7D35 G42D35-Y38 HydrophobicContact CB-CD2 3.93Å; D35-Y38 HydrophobicContact CB-CE2 4.45Å; D35-Y38 PolarHBondContact O-N 3.48Å; Y38-G42 WeakPolarHBondContact O-CA 3.27Å; Y38-G42 PolarHBondContact O-N 3.28Å
39I87Confident87Confident33 Ų3378.4 Ų78.417%0.16943%0.431CS..Hα-helixtrans-61.2-50.3173-65.5166.7000110.2L25 V28 E29 V34 D35 R36 G42 S43L25-I39 HydrophobicContact CD2-CG2 3.87Å; V28-I39 HydrophobicContact CB-CD1 4.34Å; V28-I39 HydrophobicContact CG1-CD1 3.81Å; V28-I39 HydrophobicContact CG1-CG2 4.24Å; E29-I39 HydrophobicContact CB-CD1 4.18Å; V34-I39 HydrophobicContact CB-CD1 4.47Å; V34-I39 HydrophobicContact CB-CG1 4.22Å; V34-I39 HydrophobicContact CG1-CG1 4.14Å; V34-I39 WeakPolarHBondContact O-CD1 3.42Å; D35-I39 PolarHBondContact O-N 3.45Å; D35-I39 VanDerWaalsContact O-N 3.12Å; R36-I39 PolarHBondContact O-N 3.33Å; I39-G42 PolarHBondContact O-N 2.83Å; I39-S43 VanDerWaalsContact O-CB 3.27Å; I39-S43 WeakPolarHBondContact O-CB 3.45Å; I39-S43 PolarHBondContact O-N 2.85Å; I39-S43 PolarHBondContact O-OG 2.89Å
40V88.4Confident86.7Confident28 Ų2884 Ų8417%0.1745%0.451CS..Hα-helixtrans-65.3-47.8-179.6171.70000110.6L15 F21 L25 R36 L37 G42 S43 A44L15-V40 HydrophobicContact CD1-CB 4.3Å; L15-V40 HydrophobicContact CD1-CG2 4.25Å; L15-V40 HydrophobicContact CD2-CB 4.36Å; L15-V40 HydrophobicContact CD2-CG1 4.38Å; L15-V40 HydrophobicContact CD2-CG2 3.72Å; F21-V40 HydrophobicContact CE1-CG2 4.31Å; F21-V40 HydrophobicContact CZ-CG2 4.49Å; L25-V40 HydrophobicContact CD1-CG2 3.48Å; L25-V40 VanDerWaalsContact CD1-CG2 3.48Å; L25-V40 HydrophobicContact CD2-CG2 3.65Å; L25-V40 HydrophobicContact CG-CG2 4.23Å; R36-V40 WeakPolarHBondContact O-CG2 3.44Å; R36-V40 PolarHBondContact O-N 3.2Å; L37-V40 PolarHBondContact O-N 2.79Å; V40-G42 VanDerWaalsContact C-N 3.34Å; V40-G42 PolarHBondContact O-N 3.45Å; V40-S43 WeakPolarHBondContact CA-OG 3.29Å; V40-S43 PolarHBondContact O-N 3.3Å; V40-S43 PolarHBondContact O-OG 3.43Å; V40-A44 VanDerWaalsContact O-CB 3.31Å; V40-A44 WeakPolarHBondContact O-CB 3.42Å; V40-A44 PolarHBondContact O-N 2.99Å
41T87Confident86Confident66 Ų6680.8 Ų80.841%0.40544%0.442SS..Hα-helixtrans-60-45.4178-54.20000110.9L37 A44 V45L37-T41 VanDerWaalsContact O-CB 3.26Å; L37-T41 WeakPolarHBondContact O-CB 3.44Å; L37-T41 PolarHBondContact O-N 3.17Å; L37-T41 PolarHBondContact O-OG1 3.33Å; T41-A44 PolarHBondContact O-N 3.18Å; T41-V45 VanDerWaalsContact O-CG2 3.29Å; T41-V45 WeakPolarHBondContact O-CG2 3.24Å; T41-V45 PolarHBondContact O-N 2.84Å
42G89.5Confident85.1Confident33 Ų3373.9 Ų73.934%0.3441%0.413SS..Hα-helixtrans-63.3-44.5176.800000112.4Y38 I39 V40 A44 V45 V46Y38-G42 WeakPolarHBondContact O-CA 3.27Å; Y38-G42 PolarHBondContact O-N 3.28Å; I39-G42 PolarHBondContact O-N 2.83Å; V40-G42 VanDerWaalsContact C-N 3.34Å; V40-G42 PolarHBondContact O-N 3.45Å; G42-A44 VanDerWaalsContact C-N 3.33Å; G42-A44 PolarHBondContact O-N 3.32Å; G42-V45 PolarHBondContact O-N 2.81Å; G42-V46 WeakPolarHBondContact O-CB 3.3Å; G42-V46 VanDerWaalsContact O-CG2 3.3Å; G42-V46 WeakPolarHBondContact O-CG2 3.49Å; G42-V46 PolarHBondContact O-N 3.28Å
43S88.4Confident84.5Confident56 Ų5678.6 Ų78.639%0.39243%0.426SS..Hα-helixtrans-63.5-38.2175.9720000112.3I39 V40 V46 M47I39-S43 VanDerWaalsContact O-CB 3.27Å; I39-S43 WeakPolarHBondContact O-CB 3.45Å; I39-S43 PolarHBondContact O-N 2.85Å; I39-S43 PolarHBondContact O-OG 2.89Å; V40-S43 WeakPolarHBondContact CA-OG 3.29Å; V40-S43 PolarHBondContact O-N 3.3Å; V40-S43 PolarHBondContact O-OG 3.43Å; S43-V46 PolarHBondContact O-N 3.44Å; S43-M47 VanDerWaalsContact O-CB 3.24Å; S43-M47 WeakPolarHBondContact O-CB 3.31Å; S43-M47 PolarHBondContact O-N 2.77Å
44A89Confident83.8Confident52 Ų5277 Ų7743%0.4341%0.41SS..Hα-helixtrans-67.9-40.817600000111.3V40 T41 G42 M47 F48V40-A44 VanDerWaalsContact O-CB 3.31Å; V40-A44 WeakPolarHBondContact O-CB 3.42Å; V40-A44 PolarHBondContact O-N 2.99Å; T41-A44 PolarHBondContact O-N 3.18Å; G42-A44 VanDerWaalsContact C-N 3.33Å; G42-A44 PolarHBondContact O-N 3.32Å; A44-M47 PolarHBondContact O-N 3.14Å; A44-F48 VanDerWaalsContact O-CB 3.24Å; A44-F48 WeakPolarHBondContact O-CB 3.25Å; A44-F48 PolarHBondContact O-N 2.8Å
45V91.3Very high82.9Confident76 Ų7682.3 Ų82.346%0.46142%0.424SS..Hα-helixtrans-64.3-45.7173.9170.50000110.7T41 G42 M47 F48 L49T41-V45 VanDerWaalsContact O-CG2 3.29Å; T41-V45 WeakPolarHBondContact O-CG2 3.24Å; T41-V45 PolarHBondContact O-N 2.84Å; G42-V45 PolarHBondContact O-N 2.81Å; V45-M47 VanDerWaalsContact C-N 3.33Å; V45-M47 PolarHBondContact O-N 3.29Å; V45-F48 PolarHBondContact O-N 3.23Å; V45-L49 HydrophobicContact CG1-CD1 3.93Å; V45-L49 HydrophobicContact CG1-CG 4.27Å; V45-L49 WeakPolarHBondContact O-CB 3.41Å; V45-L49 VanDerWaalsContact O-CG 3.25Å; V45-L49 WeakPolarHBondContact O-CG 3.24Å; V45-L49 PolarHBondContact O-N 2.87Å
46V88.1Confident82.2Confident98 Ų9878.4 Ų78.459%0.59441%0.405SS*.Hα-helixtrans-62-42.2176.4170.20000111G42 S43 L49 Y50G42-V46 WeakPolarHBondContact O-CB 3.3Å; G42-V46 VanDerWaalsContact O-CG2 3.3Å; G42-V46 WeakPolarHBondContact O-CG2 3.49Å; G42-V46 PolarHBondContact O-N 3.28Å; S43-V46 PolarHBondContact O-N 3.44Å; V46-L49 PolarHBondContact O-N 2.78Å; V46-Y50 VanDerWaalsContact O-CB 3.25Å; V46-Y50 WeakPolarHBondContact O-CB 3.47Å; V46-Y50 PolarHBondContact O-N 3.24Å
47M83.6Confident81.8Confident119 Ų11976.9 Ų76.959%0.58640%0.402SS*.Hα-helixtrans-63.7-42.7175.3-173.2-176.8-60.300111.4S43 A44 V45 Y50 L51S43-M47 VanDerWaalsContact O-CB 3.24Å; S43-M47 WeakPolarHBondContact O-CB 3.31Å; S43-M47 PolarHBondContact O-N 2.77Å; A44-M47 PolarHBondContact O-N 3.14Å; V45-M47 VanDerWaalsContact C-N 3.33Å; V45-M47 PolarHBondContact O-N 3.29Å; M47-Y50 PolarHBondContact O-N 3.45Å; M47-L51 HydrophobicContact CG-CD1 4.5Å; M47-L51 WeakPolarHBondContact O-CB 3.32Å; M47-L51 VanDerWaalsContact O-CG 3.27Å; M47-L51 WeakPolarHBondContact O-CG 3.11Å; M47-L51 PolarHBondContact O-N 3.41Å
48F82.7Confident81.4Confident130 Ų13076.7 Ų76.757%0.5740%0.403SS*.Hα-helixtrans-64.2-42.9176.5-173.9-102.9000111.8A44 V45 L51 I52A44-F48 VanDerWaalsContact O-CB 3.24Å; A44-F48 WeakPolarHBondContact O-CB 3.25Å; A44-F48 PolarHBondContact O-N 2.8Å; V45-F48 PolarHBondContact O-N 3.23Å; F48-L51 PolarHBondContact O-N 2.78Å; F48-I52 HydrophobicContact CD1-CD1 3.7Å; F48-I52 HydrophobicContact CD1-CG1 4.47Å; F48-I52 HydrophobicContact CE1-CD1 3.22Å; F48-I52 HydrophobicContact CE1-CG1 4.24Å; F48-I52 HydrophobicContact CZ-CD1 3.7Å; F48-I52 HydrophobicContact CZ-CG1 4.45Å; F48-I52 WeakPolarHBondContact O-CG1 3.34Å; F48-I52 PolarHBondContact O-N 3.32Å
49L82.2Confident81Confident77 Ų7776.9 Ų76.940%0.40341%0.406SS..Hα-helixtrans-64.4-44.2173.9-69.7173.9000111.2V45 V46 L51 I52 F53V45-L49 HydrophobicContact CG1-CD1 3.93Å; V45-L49 HydrophobicContact CG1-CG 4.27Å; V45-L49 WeakPolarHBondContact O-CB 3.41Å; V45-L49 VanDerWaalsContact O-CG 3.25Å; V45-L49 WeakPolarHBondContact O-CG 3.24Å; V45-L49 PolarHBondContact O-N 2.87Å; V46-L49 PolarHBondContact O-N 2.78Å; L49-L51 VanDerWaalsContact C-N 3.32Å; L49-L51 PolarHBondContact O-N 2.8Å; L49-I52 PolarHBondContact O-N 2.95Å; L49-F53 HydrophobicContact CB-CD2 4.35Å; L49-F53 HydrophobicContact CD2-CE2 4.19Å; L49-F53 WeakPolarHBondContact O-CB 3.25Å; L49-F53 WeakPolarHBondContact O-CD2 3.45Å; L49-F53 PolarHBondContact O-N 3.41Å
50Y79.2Confident80.8Confident157 Ų15778.8 Ų78.862%0.61642%0.416SS*.Hα-helixtrans-60.1-43.3175.4175.2-98.1000111.3V46 M47 G54V46-Y50 VanDerWaalsContact O-CB 3.25Å; V46-Y50 WeakPolarHBondContact O-CB 3.47Å; V46-Y50 PolarHBondContact O-N 3.24Å; M47-Y50 PolarHBondContact O-N 3.45Å; Y50-G54 WeakPolarHBondContact O-CA 3.25Å; Y50-G54 PolarHBondContact O-N 2.94Å
51L74.4Confident80.5Confident88 Ų8877.5 Ų77.546%0.46141%0.408SS..Hα-helixtrans-60.1-50.7173.2-73.4174.8000109.7M47 F48 L49 F53 G54 Y55 G56M47-L51 HydrophobicContact CG-CD1 4.5Å; M47-L51 WeakPolarHBondContact O-CB 3.32Å; M47-L51 VanDerWaalsContact O-CG 3.27Å; M47-L51 WeakPolarHBondContact O-CG 3.11Å; M47-L51 PolarHBondContact O-N 3.41Å; F48-L51 PolarHBondContact O-N 2.78Å; L49-L51 VanDerWaalsContact C-N 3.32Å; L49-L51 PolarHBondContact O-N 2.8Å; L51-F53 PolarHBondContact O-N 3.47Å; L51-G54 PolarHBondContact O-N 3.44Å; L51-Y55 PolarHBondContact O-N 3.41Å; L51-Y55 VanDerWaalsContact O-N 3.08Å; L51-G56 WeakPolarHBondContact O-CA 3.27Å; L51-G56 PolarHBondContact O-N 3.06Å
52I72.1Confident80.5Confident49 Ų4976.4 Ų76.425%0.25140%0.4SS..Iπ-helixtrans-57.6-50.3178.4-73177.3000112.5F48 L49 G56 T57 L60F48-I52 HydrophobicContact CD1-CD1 3.7Å; F48-I52 HydrophobicContact CD1-CG1 4.47Å; F48-I52 HydrophobicContact CE1-CD1 3.22Å; F48-I52 HydrophobicContact CE1-CG1 4.24Å; F48-I52 HydrophobicContact CZ-CD1 3.7Å; F48-I52 HydrophobicContact CZ-CG1 4.45Å; F48-I52 WeakPolarHBondContact O-CG1 3.34Å; F48-I52 PolarHBondContact O-N 3.32Å; L49-I52 PolarHBondContact O-N 2.95Å; I52-G56 CarbonylContact O-C 3.6Å; I52-T57 VanDerWaalsContact O-CG2 3.27Å; I52-T57 WeakPolarHBondContact O-CG2 3.45Å; I52-T57 PolarHBondContact O-N 3.4Å; I52-L60 HydrophobicContact CG1-CD1 4.34Å; I52-L60 HydrophobicContact CG2-CD1 4.34Å
53F71.4Confident80.4Confident163 Ų16377.6 Ų77.672%0.71540%0.399SS*.Iπ-helixtrans-78.2-24.6-175-76.4-71.5000113.7L49 L51L49-F53 HydrophobicContact CB-CD2 4.35Å; L49-F53 HydrophobicContact CD2-CE2 4.19Å; L49-F53 WeakPolarHBondContact O-CB 3.25Å; L49-F53 WeakPolarHBondContact O-CD2 3.45Å; L49-F53 PolarHBondContact O-N 3.41Å; L51-F53 PolarHBondContact O-N 3.47Å
54G70.6Confident80.3Confident34 Ų3479.8 Ų79.835%0.35141%0.405SS..Iπ-helixtrans-88-72.917900000112.8Y50 L51Y50-G54 WeakPolarHBondContact O-CA 3.25Å; Y50-G54 PolarHBondContact O-N 2.94Å; L51-G54 PolarHBondContact O-N 3.44Å
55Y68.9Low80.1Confident176 Ų17677.5 Ų77.569%0.6939%0.386SS*.Iπ-helixtrans-107.4-17.3-173.7-69.4-81.6000113.5L51 F59L51-Y55 PolarHBondContact O-N 3.41Å; L51-Y55 VanDerWaalsContact O-N 3.08Å; Y55-F59 PolarHBondContact O-N 3.37Å
56G72.9Confident80Confident9 Ų978.8 Ų78.89%0.09339%0.386CS..Iπ-helixtrans-80.3-20.3-167.400000112.1L51 I52 F59 L60L51-G56 WeakPolarHBondContact O-CA 3.27Å; L51-G56 PolarHBondContact O-N 3.06Å; I52-G56 CarbonylContact O-C 3.6Å; G56-F59 PolarHBondContact O-N 3.3Å; G56-L60 WeakPolarHBondContact O-CB 3.41Å; G56-L60 WeakPolarHBondContact O-CG 3.27Å; G56-L60 PolarHBondContact O-N 3.02Å
57T76.3Confident80.2Confident21 Ų2179 Ų7913%0.12938%0.383CS..Hα-helixtrans-59.7-49.217258.80000110.7I52 A61 L117I52-T57 VanDerWaalsContact O-CG2 3.27Å; I52-T57 WeakPolarHBondContact O-CG2 3.45Å; I52-T57 PolarHBondContact O-N 3.4Å; T57-A61 VanDerWaalsContact O-CB 3.23Å; T57-A61 WeakPolarHBondContact O-CB 3.21Å; T57-A61 PolarHBondContact O-N 2.86Å; T57-L117 HydrophobicContact CG2-CD1 3.87Å
58S77.1Confident80.4Confident19 Ų1979.2 Ų79.213%0.13338%0.378CS..Hα-helixtrans-67-40.9177.5-66.60000111.5A61 N62 E102 S120S58-A61 PolarHBondContact O-N 3.45Å; S58-N62 WeakPolarHBondContact O-CB 3.16Å; S58-N62 PolarHBondContact O-N 3.35Å; S58-N62 PolarHBondContact O-ND2 2.92Å; S58-E102 PolarHBondContact OG-OE1 2.96Å; S58-S120 WeakPolarHBondContact CA-OG 3.37Å; S58-S120 PolarHBondContact OG-OG 2.96Å
59F80.4Confident80.7Confident131 Ų13173.1 Ų73.158%0.57535%0.351SS*.Hα-helixtrans-64-45.4176.4-179.5-109.9000112.6Y55 G56 N62 L63Y55-F59 PolarHBondContact O-N 3.37Å; G56-F59 PolarHBondContact O-N 3.3Å; F59-N62 PolarHBondContact O-N 2.81Å; F59-L63 HydrophobicContact CD1-CD1 3.8Å; F59-L63 HydrophobicContact CD1-CG 4.35Å; F59-L63 HydrophobicContact CE1-CD1 3.24Å; F59-L63 HydrophobicContact CE1-CG 3.97Å; F59-L63 HydrophobicContact CE2-CD1 4.35Å; F59-L63 HydrophobicContact CE2-CG 4.23Å; F59-L63 HydrophobicContact CZ-CD1 3.56Å; F59-L63 HydrophobicContact CZ-CD2 4.24Å; F59-L63 HydrophobicContact CZ-CG 3.89Å; F59-L63 WeakPolarHBondContact O-CB 3.43Å; F59-L63 WeakPolarHBondContact O-CG 3.44Å; F59-L63 PolarHBondContact O-N 3.19Å
60L82.8Confident81.1Confident72 Ų7270.3 Ų70.338%0.37734%0.339SS..Hα-helixtrans-65.4-40.9177.4-74.9169.6000111.4I52 G56 L63 I64I52-L60 HydrophobicContact CG1-CD1 4.34Å; I52-L60 HydrophobicContact CG2-CD1 4.34Å; G56-L60 WeakPolarHBondContact O-CB 3.41Å; G56-L60 WeakPolarHBondContact O-CG 3.27Å; G56-L60 PolarHBondContact O-N 3.02Å; L60-L63 PolarHBondContact O-N 3.38Å; L60-I64 WeakPolarHBondContact O-CB 3.47Å; L60-I64 VanDerWaalsContact O-CG1 3.25Å; L60-I64 WeakPolarHBondContact O-CG1 3.15Å; L60-I64 PolarHBondContact O-N 2.93Å
61A83.4Confident81.7Confident1 Ų169.1 Ų69.11%0.00833%0.334CS..Hα-helixtrans-59.7-47.2175.300000111.7T57 S58 I64 G65 F123 L124T57-A61 VanDerWaalsContact O-CB 3.23Å; T57-A61 WeakPolarHBondContact O-CB 3.21Å; T57-A61 PolarHBondContact O-N 2.86Å; S58-A61 PolarHBondContact O-N 3.45Å; A61-I64 PolarHBondContact O-N 3.38Å; A61-G65 PolarHBondContact O-N 2.8Å; A61-F123 HydrophobicContact CB-CD1 4.33Å; A61-L124 HydrophobicContact CB-CD1 3.79Å; A61-L124 HydrophobicContact CB-CD2 4.29Å; A61-L124 HydrophobicContact CB-CG 3.7Å; A61-L124 WeakPolarHBondContact O-CD2 3.16Å
62N85.5Confident82.4Confident44 Ų4469.4 Ų69.424%0.23533%0.329CS..Hα-helixtrans-64.4-40.8175-77.5-46.5000112.2S58 F59 G65 F66 E102 F123S58-N62 WeakPolarHBondContact O-CB 3.16Å; S58-N62 PolarHBondContact O-N 3.35Å; S58-N62 PolarHBondContact O-ND2 2.92Å; F59-N62 PolarHBondContact O-N 2.81Å; N62-G65 CarbonylContact O-C 3.44Å; N62-G65 PolarHBondContact O-N 3.34Å; N62-F66 WeakPolarHBondContact O-CB 3.44Å; N62-F66 PolarHBondContact O-N 2.92Å; N62-E102 PolarHBondContact ND2-OE2 3.33Å; N62-F123 WeakPolarHBondContact OD1-CE1 3.09Å
63L87.8Confident83.3Confident58 Ų5867.8 Ų67.830%0.30432%0.322SS..Hα-helixtrans-62.3-44.7175.5-84.3-178.4000112.7F59 L60 F66 I67F59-L63 HydrophobicContact CD1-CD1 3.8Å; F59-L63 HydrophobicContact CD1-CG 4.35Å; F59-L63 HydrophobicContact CE1-CD1 3.24Å; F59-L63 HydrophobicContact CE1-CG 3.97Å; F59-L63 HydrophobicContact CE2-CD1 4.35Å; F59-L63 HydrophobicContact CE2-CG 4.23Å; F59-L63 HydrophobicContact CZ-CD1 3.56Å; F59-L63 HydrophobicContact CZ-CD2 4.24Å; F59-L63 HydrophobicContact CZ-CG 3.89Å; F59-L63 WeakPolarHBondContact O-CB 3.43Å; F59-L63 WeakPolarHBondContact O-CG 3.44Å; F59-L63 PolarHBondContact O-N 3.19Å; L60-L63 PolarHBondContact O-N 3.38Å; L63-F66 PolarHBondContact O-N 3.41Å; L63-I67 HydrophobicContact CB-CD1 4.42Å; L63-I67 HydrophobicContact CD2-CD1 4.37Å; L63-I67 WeakPolarHBondContact O-CB 3.35Å; L63-I67 VanDerWaalsContact O-CG1 3.26Å; L63-I67 WeakPolarHBondContact O-CG1 3.44Å; L63-I67 PolarHBondContact O-N 3.39Å
64I86.4Confident84.3Confident102 Ų10265 Ų6552%0.52331%0.314SS..Hα-helixtrans-66.8-43.8179.2-68.2164.2000110L60 A61 F66 L124L60-I64 WeakPolarHBondContact O-CB 3.47Å; L60-I64 VanDerWaalsContact O-CG1 3.25Å; L60-I64 WeakPolarHBondContact O-CG1 3.15Å; L60-I64 PolarHBondContact O-N 2.93Å; A61-I64 PolarHBondContact O-N 3.38Å; I64-F66 PolarHBondContact O-N 2.94Å; I64-L124 HydrophobicContact CB-CD2 3.82Å; I64-L124 HydrophobicContact CG2-CD2 3.69Å
65G84.5Confident85.3Confident3 Ų368.7 Ų68.73%0.03132%0.32CS..Hα-helixtrans-65.5-17.1173.500000113.8A61 N62 P69 Y91A61-G65 PolarHBondContact O-N 2.8Å; N62-G65 CarbonylContact O-C 3.44Å; N62-G65 PolarHBondContact O-N 3.34Å; G65-P69 WeakPolarHBondContact O-CD 3.31Å; G65-P69 VanDerWaalsContact O-CG 3.25Å; G65-P69 WeakPolarHBondContact O-CG 3.39Å; G65-Y91 PolarHBondContact O-OH 3.3Å; G65-Y91 VanDerWaalsContact O-OH 3.06Å
66F90.2Very high86.3Confident104 Ų10460.5 Ų60.546%0.45629%0.289SS..Hα-helixtrans-93.4-54.4176.6178.2-94.8000112.6N62 L63 I64 Y68 P69 A70 W92N62-F66 WeakPolarHBondContact O-CB 3.44Å; N62-F66 PolarHBondContact O-N 2.92Å; L63-F66 PolarHBondContact O-N 3.41Å; I64-F66 PolarHBondContact O-N 2.94Å; F66-Y68 PolarHBondContact O-N 3.46Å; F66-P69 WeakPolarHBondContact O-CD 3.45Å; F66-A70 HydrophobicContact CD1-CB 4.47Å; F66-A70 HydrophobicContact CE1-CB 4.21Å; F66-A70 HydrophobicContact CZ-CB 4.26Å; F66-A70 WeakPolarHBondContact O-CB 3.33Å; F66-A70 PolarHBondContact O-N 2.92Å; F66-W92 AromaticContact CD2-CH2 3.47Å; F66-W92 HydrophobicContact CD2-CH2 3.47Å; F66-W92 VanDerWaalsContact CD2-CH2 3.47Å; F66-W92 AromaticContact CD2-CZ3 3.8Å; F66-W92 HydrophobicContact CD2-CZ3 3.8Å; F66-W92 AromaticContact CE2-CH2 3.73Å; F66-W92 HydrophobicContact CE2-CH2 3.73Å; F66-W92 HydrophobicContact CE2-CZ3 4.21Å; F66-W92 HydrophobicContact CG-CH2 4.31Å
67I91.3Very high87.1Confident103 Ų10366 Ų6653%0.52832%0.316SS..Hα-helixtrans-62.5-50.5-165.5-70.9167.8000111.9L63 Y71L63-I67 HydrophobicContact CB-CD1 4.42Å; L63-I67 HydrophobicContact CD2-CD1 4.37Å; L63-I67 WeakPolarHBondContact O-CB 3.35Å; L63-I67 VanDerWaalsContact O-CG1 3.26Å; L63-I67 WeakPolarHBondContact O-CG1 3.44Å; L63-I67 PolarHBondContact O-N 3.39Å; I67-Y71 PolarHBondContact O-N 3.33Å
68Y88Confident87.8Confident123 Ų12373 Ų7348%0.48235%0.347SS..Hα-helixtrans-67.3-50.1-176.1173-89.2000111.8F66 A70 Y71 R72 W88 P129F66-Y68 PolarHBondContact O-N 3.46Å; Y68-A70 VanDerWaalsContact C-N 3.34Å; Y68-A70 PolarHBondContact O-N 3.21Å; Y68-Y71 PolarHBondContact O-N 3.08Å; Y68-R72 HydrophobicContact CD1-CG 4.34Å; Y68-R72 HydrophobicContact CE1-CG 3.86Å; Y68-R72 HydrophobicContact CE2-CG 4.24Å; Y68-R72 WeakPolarHBondContact O-CG 3.22Å; Y68-R72 PolarHBondContact O-N 3.48Å; Y68-W88 HydrophobicContact CE1-CH2 4.42Å; Y68-P129 HydrophobicContact CD1-CG 3.86Å; Y68-P129 HydrophobicContact CE1-CG 3.48Å; Y68-P129 VanDerWaalsContact CE1-CG 3.48Å
69P88.6Confident88.2Confident2 Ų274.5 Ų74.51%0.01336%0.355CS..Hα-helixtrans-63.3-35.7175.5-27.140.2000113.4G65 F66 R72 S73 W88 Y91 W92G65-P69 WeakPolarHBondContact O-CD 3.31Å; G65-P69 VanDerWaalsContact O-CG 3.25Å; G65-P69 WeakPolarHBondContact O-CG 3.39Å; F66-P69 WeakPolarHBondContact O-CD 3.45Å; P69-R72 PolarHBondContact O-N 2.75Å; P69-S73 VanDerWaalsContact O-CB 3.26Å; P69-S73 WeakPolarHBondContact O-CB 3.5Å; P69-S73 PolarHBondContact O-N 3.39Å; P69-S73 PolarHBondContact O-OG 3.41Å; P69-W88 HydrophobicContact CB-CE3 4.08Å; P69-W88 HydrophobicContact CB-CZ3 3.81Å; P69-W88 HydrophobicContact CG-CZ3 4.4Å; P69-Y91 HydrophobicContact CB-CD1 3.67Å; P69-Y91 HydrophobicContact CB-CE1 3.3Å; P69-Y91 HydrophobicContact CG-CD1 4.14Å; P69-Y91 HydrophobicContact CG-CE1 3.34Å; P69-Y91 HydrophobicContact CG-CE2 4.19Å; P69-Y91 WeakPolarHBondContact CG-OH 3.47Å; P69-W92 HydrophobicContact CB-CZ2 4.47Å
70A92.3Very high88.5Confident18 Ų1874.2 Ų74.215%0.14937%0.37CS..Hα-helixtrans-61.1-47.9174.400000111.6F66 Y68 R72 S73 I74 W92F66-A70 HydrophobicContact CD1-CB 4.47Å; F66-A70 HydrophobicContact CE1-CB 4.21Å; F66-A70 HydrophobicContact CZ-CB 4.26Å; F66-A70 WeakPolarHBondContact O-CB 3.33Å; F66-A70 PolarHBondContact O-N 2.92Å; Y68-A70 VanDerWaalsContact C-N 3.34Å; Y68-A70 PolarHBondContact O-N 3.21Å; A70-R72 VanDerWaalsContact C-N 3.31Å; A70-R72 PolarHBondContact O-N 3.49Å; A70-S73 PolarHBondContact O-N 2.83Å; A70-I74 WeakPolarHBondContact O-CG1 3.27Å; A70-I74 PolarHBondContact O-N 2.61Å; A70-W92 HydrophobicContact CB-CH2 4.26Å; A70-W92 HydrophobicContact CB-CZ2 4.03Å
71Y91.3Very high88.7Confident131 Ų13174.6 Ų74.651%0.51437%0.372SS..Hα-helixtrans-58.7-43.4175.3175.8-103.8000112.2I67 Y68 K75I67-Y71 PolarHBondContact O-N 3.33Å; Y68-Y71 PolarHBondContact O-N 3.08Å; Y71-K75 HydrophobicContact CE1-CD 4.05Å; Y71-K75 VanDerWaalsContact CZ-CE 3.45Å; Y71-K75 PolarHBondContact O-N 2.99Å; Y71-K75 VanDerWaalsContact O-N 3.16Å; Y71-K75 WeakPolarHBondContact OH-CE 2.85Å; Y71-K75 PolarHBondContact OH-NZ 3.01Å
72R89.1Confident88.8Confident94 Ų9482.5 Ų82.536%0.35541%0.406SS..Hα-helixtrans-69.9-33.5178.1-67.9-65.8-59-1702.4113Y68 P69 A70 K75 A76 W88Y68-R72 HydrophobicContact CD1-CG 4.34Å; Y68-R72 HydrophobicContact CE1-CG 3.86Å; Y68-R72 HydrophobicContact CE2-CG 4.24Å; Y68-R72 WeakPolarHBondContact O-CG 3.22Å; Y68-R72 PolarHBondContact O-N 3.48Å; P69-R72 PolarHBondContact O-N 2.75Å; A70-R72 VanDerWaalsContact C-N 3.31Å; A70-R72 PolarHBondContact O-N 3.49Å; R72-K75 PolarHBondContact O-N 3.46Å; R72-A76 PolarHBondContact O-N 2.95Å; R72-W88 HydrophobicContact CB-CD2 4.2Å; R72-W88 HydrophobicContact CB-CE3 4.34Å; R72-W88 HydrophobicContact CB-CH2 3.42Å; R72-W88 VanDerWaalsContact CB-CH2 3.42Å; R72-W88 HydrophobicContact CB-CZ2 3.22Å; R72-W88 HydrophobicContact CB-CZ3 3.99Å; R72-W88 HydrophobicContact CG-CH2 3.77Å; R72-W88 HydrophobicContact CG-CZ2 3.81Å
73S91Very high88.8Confident15 Ų1583.2 Ų83.211%0.10542%0.418CS..Hα-helixtrans-67.5-42.2176-57.30000110.7P69 A70 K75 A76 L77 W88 W92P69-S73 VanDerWaalsContact O-CB 3.26Å; P69-S73 WeakPolarHBondContact O-CB 3.5Å; P69-S73 PolarHBondContact O-N 3.39Å; P69-S73 PolarHBondContact O-OG 3.41Å; A70-S73 PolarHBondContact O-N 2.83Å; S73-K75 VanDerWaalsContact C-N 3.3Å; S73-K75 PolarHBondContact O-N 2.9Å; S73-A76 WeakPolarHBondContact O-CA 3.45Å; S73-A76 WeakPolarHBondContact O-CB 3.39Å; S73-A76 PolarHBondContact O-N 2.91Å; S73-L77 WeakPolarHBondContact O-CG 3.43Å; S73-L77 PolarHBondContact O-N 3.35Å; S73-W88 WeakPolarHBondContact OG-CB 3.16Å; S73-W92 PolarHBondContact OG-NE1 3.29Å
74I92.9Very high88.7Confident106 Ų10683.2 Ų83.254%0.54442%0.419SS..Hα-helixtrans-59.7-44.4173.4-67.8166000110.1A70 A76 L77 E78A70-I74 WeakPolarHBondContact O-CG1 3.27Å; A70-I74 PolarHBondContact O-N 2.61Å; I74-A76 VanDerWaalsContact C-N 3.26Å; I74-A76 PolarHBondContact O-N 2.97Å; I74-L77 PolarHBondContact O-N 3.37Å; I74-E78 PolarHBondContact O-N 2.99Å
75K90.7Very high88.7Confident110 Ų11081.2 Ų81.248%0.47841%0.409SS..Hα-helixtrans-63-31.8173.9-79.2-164.9169.1-179.80113.7Y71 R72 S73 E78Y71-K75 HydrophobicContact CE1-CD 4.05Å; Y71-K75 VanDerWaalsContact CZ-CE 3.45Å; Y71-K75 PolarHBondContact O-N 2.99Å; Y71-K75 VanDerWaalsContact O-N 3.16Å; Y71-K75 WeakPolarHBondContact OH-CE 2.85Å; Y71-K75 PolarHBondContact OH-NZ 3.01Å; R72-K75 PolarHBondContact O-N 3.46Å; S73-K75 VanDerWaalsContact C-N 3.3Å; S73-K75 PolarHBondContact O-N 2.9Å; K75-E78 PolarHBondContact O-N 3.38Å
76A89.6Confident88.9Confident4 Ų485 Ų853%0.03343%0.432CS..Hα-helixtrans-68.8-39.4176.400000111.6R72 S73 I74 E78 T79 D84 W88R72-A76 PolarHBondContact O-N 2.95Å; S73-A76 WeakPolarHBondContact O-CA 3.45Å; S73-A76 WeakPolarHBondContact O-CB 3.39Å; S73-A76 PolarHBondContact O-N 2.91Å; I74-A76 VanDerWaalsContact C-N 3.26Å; I74-A76 PolarHBondContact O-N 2.97Å; A76-E78 PolarHBondContact O-N 3.45Å; A76-T79 WeakPolarHBondContact O-CG2 3.45Å; A76-T79 PolarHBondContact O-N 3.28Å; A76-D84 HydrophobicContact CB-CB 3.95Å; A76-W88 HydrophobicContact CB-CG 4.39Å
77L90.4Very high88.7Confident126 Ų12682.7 Ų82.766%0.6642%0.422SS*.Hα-helixtrans-64.2-22.5177-68.2171.1000113.7S73 I74S73-L77 WeakPolarHBondContact O-CG 3.43Å; S73-L77 PolarHBondContact O-N 3.35Å; I74-L77 PolarHBondContact O-N 3.37Å
78E90.3Very high88.7Confident166 Ų16678.3 Ų78.378%0.77640%0.398SS*.THydrogen-bonded Turntrans-86.8-8.9175.8-60.8-64.4155.600113I74 K75 A76I74-E78 PolarHBondContact O-N 2.99Å; K75-E78 PolarHBondContact O-N 3.38Å; A76-E78 PolarHBondContact O-N 3.45Å
79T86.8Confident88.8Confident52 Ų5278.1 Ų78.132%0.31941%0.405SS..SBendtrans-93.1151.9172.4-175.30000110.7A76 D81 D84A76-T79 WeakPolarHBondContact O-CG2 3.45Å; A76-T79 PolarHBondContact O-N 3.28Å; T79-D81 HydrophobicContact CG2-CB 4.11Å; T79-D81 PolarHBondContact O-N 3.09Å; T79-D81 PolarHBondContact OG1-N 3.26Å; T79-D84 HydrophobicContact CG2-CB 3.98Å
80S86.7Confident88.8Confident125 Ų12578.8 Ų78.887%0.87441%0.409SS*.SBendtrans-78.6-3.3171.953.10000113.3K82S80-K82 PolarHBondContact O-N 2.72Å
81D86.8Confident88.7Confident79 Ų7978.4 Ų78.442%0.42240%0.404SS..  trans-84106.8-176.1-169.7-3.5000112.7T79 A83 D84T79-D81 HydrophobicContact CG2-CB 4.11Å; T79-D81 PolarHBondContact O-N 3.09Å; T79-D81 PolarHBondContact OG1-N 3.26Å; D81-A83 PolarHBondContact O-N 3.44Å; D81-A83 VanDerWaalsContact OD1-CB 3.24Å; D81-A83 WeakPolarHBondContact OD1-CB 3.23Å; D81-A83 PolarHBondContact OD1-N 3.36Å; D81-D84 PolarHBondContact O-N 2.72Å
82K85.8Confident88.7Confident167 Ų16775.4 Ų75.473%0.72639%0.392SS*.Hα-helixtrans-62.8-21.2176.4-64.9-169.6176.4-174.60113.8S80 D84 D85 T86S80-K82 PolarHBondContact O-N 2.72Å; K82-D84 VanDerWaalsContact C-N 3.31Å; K82-D85 PolarHBondContact O-N 3.18Å; K82-T86 WeakPolarHBondContact O-CB 3.32Å; K82-T86 PolarHBondContact O-N 3.19Å; K82-T86 PolarHBondContact O-OG1 2.98Å
83A84.6Confident88.9Confident60 Ų6073.5 Ų73.550%0.49639%0.391SS..Hα-helixtrans-67.1-36.6177.400000111D81 T86 K87D81-A83 PolarHBondContact O-N 3.44Å; D81-A83 VanDerWaalsContact OD1-CB 3.24Å; D81-A83 WeakPolarHBondContact OD1-CB 3.23Å; D81-A83 PolarHBondContact OD1-N 3.36Å; A83-T86 PolarHBondContact O-N 3.32Å; A83-K87 WeakPolarHBondContact O-CB 3.38Å; A83-K87 PolarHBondContact O-N 3.46Å
84D85.4Confident88.8Confident58 Ų5872.8 Ų72.831%0.3139%0.386SS..Hα-helixtrans-66.2-45175.4-82.3-24.9000110.8A76 T79 D81 K82 T86 K87 W88A76-D84 HydrophobicContact CB-CB 3.95Å; T79-D84 HydrophobicContact CG2-CB 3.98Å; D81-D84 PolarHBondContact O-N 2.72Å; K82-D84 VanDerWaalsContact C-N 3.31Å; D84-T86 PolarHBondContact O-N 3.03Å; D84-K87 WeakPolarHBondContact O-CB 3.44Å; D84-K87 PolarHBondContact O-N 2.91Å; D84-W88 PolarHBondContact O-N 2.83Å
85D87.1Confident88.7Confident59 Ų5968.9 Ų68.932%0.31636%0.364SS..Hα-helixtrans-58.7-46.8175.3-68.9-26.8000111.9K82 K87 W88 L89K82-D85 PolarHBondContact O-N 3.18Å; D85-K87 VanDerWaalsContact C-N 3.28Å; D85-K87 PolarHBondContact O-N 3.31Å; D85-W88 PolarHBondContact O-N 2.8Å; D85-L89 VanDerWaalsContact O-CB 3.29Å; D85-L89 WeakPolarHBondContact O-CB 3.44Å; D85-L89 PolarHBondContact O-N 2.92Å
86T87.5Confident88.7Confident84 Ų8466.1 Ų66.152%0.51536%0.362SS..Hα-helixtrans-60.3-41.7179.7-55.90000110.8K82 A83 D84 T90K82-T86 WeakPolarHBondContact O-CB 3.32Å; K82-T86 PolarHBondContact O-N 3.19Å; K82-T86 PolarHBondContact O-OG1 2.98Å; A83-T86 PolarHBondContact O-N 3.32Å; D84-T86 PolarHBondContact O-N 3.03Å; T86-T90 VanDerWaalsContact O-CB 3.3Å; T86-T90 WeakPolarHBondContact O-CB 3.25Å; T86-T90 PolarHBondContact O-N 3.33Å; T86-T90 PolarHBondContact O-OG1 3.39Å
87K87.3Confident88.7Confident55 Ų5568.4 Ų68.424%0.23938%0.376CS..Hα-helixtrans-61.1-48.8177.6173.7179.6173.4170.30111.7A83 D84 D85 T90 Y91 N133A83-K87 WeakPolarHBondContact O-CB 3.38Å; A83-K87 PolarHBondContact O-N 3.46Å; D84-K87 WeakPolarHBondContact O-CB 3.44Å; D84-K87 PolarHBondContact O-N 2.91Å; D85-K87 VanDerWaalsContact C-N 3.28Å; D85-K87 PolarHBondContact O-N 3.31Å; K87-T90 PolarHBondContact O-N 2.88Å; K87-Y91 PolarHBondContact O-N 2.96Å; K87-N133 VanDerWaalsContact CE-ND2 3.35Å; K87-N133 WeakPolarHBondContact CE-ND2 3.32Å; K87-N133 WeakPolarHBondContact CE-OD1 3.33Å; K87-N133 PolarHBondContact NZ-OD1 2.73Å
88W89.8Confident88.6Confident11 Ų1163.6 Ų63.64%0.04235%0.351CS..Hα-helixtrans-74.1-35.6-178.3-66.4110.9000112.4Y68 P69 R72 S73 A76 D84 D85 T90 Y91 W92 P129Y68-W88 HydrophobicContact CE1-CH2 4.42Å; P69-W88 HydrophobicContact CB-CE3 4.08Å; P69-W88 HydrophobicContact CB-CZ3 3.81Å; P69-W88 HydrophobicContact CG-CZ3 4.4Å; R72-W88 HydrophobicContact CB-CD2 4.2Å; R72-W88 HydrophobicContact CB-CE3 4.34Å; R72-W88 HydrophobicContact CB-CH2 3.42Å; R72-W88 VanDerWaalsContact CB-CH2 3.42Å; R72-W88 HydrophobicContact CB-CZ2 3.22Å; R72-W88 HydrophobicContact CB-CZ3 3.99Å; R72-W88 HydrophobicContact CG-CH2 3.77Å; R72-W88 HydrophobicContact CG-CZ2 3.81Å; S73-W88 WeakPolarHBondContact OG-CB 3.16Å; A76-W88 HydrophobicContact CB-CG 4.39Å; D84-W88 PolarHBondContact O-N 2.83Å; D85-W88 PolarHBondContact O-N 2.8Å; W88-T90 VanDerWaalsContact C-N 3.32Å; W88-T90 PolarHBondContact O-N 3.42Å; W88-Y91 HydrophobicContact CE3-CG 4.4Å; W88-Y91 WeakPolarHBondContact O-CA 3.26Å; W88-Y91 VanDerWaalsContact O-CB 3.29Å; W88-Y91 WeakPolarHBondContact O-CB 3.45Å; W88-Y91 PolarHBondContact O-N 2.86Å; W88-Y91 VanDerWaalsContact O-N 3.17Å; W88-W92 PolarHBondContact O-N 2.86Å; W88-P129 HydrophobicContact CH2-CB 4.44Å
89L90Very high88.6Confident118 Ų11856.7 Ų56.762%0.61832%0.321SS*.Hα-helixtrans-62.8-42173.1-17363.5000111.2D85 Y91 W92 V93D85-L89 VanDerWaalsContact O-CB 3.29Å; D85-L89 WeakPolarHBondContact O-CB 3.44Å; D85-L89 PolarHBondContact O-N 2.92Å; L89-Y91 VanDerWaalsContact C-N 3.3Å; L89-Y91 PolarHBondContact O-N 3.49Å; L89-W92 PolarHBondContact O-N 3.18Å; L89-V93 WeakPolarHBondContact O-CG2 3.43Å; L89-V93 PolarHBondContact O-N 2.87Å
90T89.4Confident88.7Confident17 Ų1758.5 Ų58.510%0.10433%0.331CS..Hα-helixtrans-60-42.9173.3-57.30000111T86 K87 W88 W92 V93 V94 I136 Y139T86-T90 VanDerWaalsContact O-CB 3.3Å; T86-T90 WeakPolarHBondContact O-CB 3.25Å; T86-T90 PolarHBondContact O-N 3.33Å; T86-T90 PolarHBondContact O-OG1 3.39Å; K87-T90 PolarHBondContact O-N 2.88Å; W88-T90 VanDerWaalsContact C-N 3.32Å; W88-T90 PolarHBondContact O-N 3.42Å; T90-W92 PolarHBondContact O-N 3.27Å; T90-V93 PolarHBondContact O-N 3.44Å; T90-V94 HydrophobicContact CG2-CG2 4.48Å; T90-V94 WeakPolarHBondContact O-CG2 3.42Å; T90-V94 PolarHBondContact O-N 3.24Å; T90-V94 VanDerWaalsContact O-N 3.08Å; T90-I136 HydrophobicContact CG2-CG1 4.09Å; T90-Y139 VanDerWaalsContact CG2-CB 3.45Å; T90-Y139 HydrophobicContact CG2-CD1 3.94Å; T90-Y139 HydrophobicContact CG2-CD2 4.2Å; T90-Y139 HydrophobicContact CG2-CG 3.6Å
91Y90.2Very high88.8Confident9 Ų956.5 Ų56.54%0.03531%0.31CS..Hα-helixtrans-56.6-50.3173.7179.1-88.6000111.6G65 P69 K87 W88 L89 V93 V94 F95 M127 A135G65-Y91 PolarHBondContact O-OH 3.3Å; G65-Y91 VanDerWaalsContact O-OH 3.06Å; P69-Y91 HydrophobicContact CB-CD1 3.67Å; P69-Y91 HydrophobicContact CB-CE1 3.3Å; P69-Y91 HydrophobicContact CG-CD1 4.14Å; P69-Y91 HydrophobicContact CG-CE1 3.34Å; P69-Y91 HydrophobicContact CG-CE2 4.19Å; P69-Y91 WeakPolarHBondContact CG-OH 3.47Å; K87-Y91 PolarHBondContact O-N 2.96Å; W88-Y91 HydrophobicContact CE3-CG 4.4Å; W88-Y91 WeakPolarHBondContact O-CA 3.26Å; W88-Y91 VanDerWaalsContact O-CB 3.29Å; W88-Y91 WeakPolarHBondContact O-CB 3.45Å; W88-Y91 PolarHBondContact O-N 2.86Å; W88-Y91 VanDerWaalsContact O-N 3.17Å; L89-Y91 VanDerWaalsContact C-N 3.3Å; L89-Y91 PolarHBondContact O-N 3.49Å; Y91-V93 PolarHBondContact O-N 3.39Å; Y91-V94 PolarHBondContact O-N 3.31Å; Y91-F95 HydrophobicContact CD1-CB 4.47Å; Y91-F95 HydrophobicContact CE1-CB 4.13Å; Y91-F95 HydrophobicContact CE1-CD2 4.29Å; Y91-F95 HydrophobicContact CE1-CG 4.44Å; Y91-F95 VanDerWaalsContact O-CB 3.32Å; Y91-F95 WeakPolarHBondContact O-CB 3.29Å; Y91-F95 PolarHBondContact O-N 3.34Å; Y91-M127 HydrophobicContact CD2-SD 4.45Å; Y91-M127 HydrophobicContact CE1-SD 4.33Å; Y91-M127 VanDerWaalsContact CE2-O 3.31Å; Y91-M127 WeakPolarHBondContact CE2-O 3.22Å; Y91-M127 HydrophobicContact CE2-SD 3.61Å; Y91-M127 VanDerWaalsContact CZ-SD 3.52Å; Y91-M127 PolarHBondContact OH-O 3.34Å; Y91-M127 PolarHBondContact OH-SD 2.83Å; Y91-M127 VanDerWaalsContact OH-SD 3.38Å; Y91-A135 HydrophobicContact CD2-CB 4.01Å
92W92.3Very high88.7Confident69 Ų6953.4 Ų53.426%0.26129%0.293SS..Hα-helixtrans-63-39.3-179.6-74.8115.1000113.2F66 P69 A70 S73 W88 L89 T90 V94 F95 A96F66-W92 AromaticContact CD2-CH2 3.47Å; F66-W92 HydrophobicContact CD2-CH2 3.47Å; F66-W92 VanDerWaalsContact CD2-CH2 3.47Å; F66-W92 AromaticContact CD2-CZ3 3.8Å; F66-W92 HydrophobicContact CD2-CZ3 3.8Å; F66-W92 AromaticContact CE2-CH2 3.73Å; F66-W92 HydrophobicContact CE2-CH2 3.73Å; F66-W92 HydrophobicContact CE2-CZ3 4.21Å; F66-W92 HydrophobicContact CG-CH2 4.31Å; P69-W92 HydrophobicContact CB-CZ2 4.47Å; A70-W92 HydrophobicContact CB-CH2 4.26Å; A70-W92 HydrophobicContact CB-CZ2 4.03Å; S73-W92 PolarHBondContact OG-NE1 3.29Å; W88-W92 PolarHBondContact O-N 2.86Å; L89-W92 PolarHBondContact O-N 3.18Å; T90-W92 PolarHBondContact O-N 3.27Å; W92-V94 VanDerWaalsContact C-N 3.34Å; W92-F95 HydrophobicContact CE3-CD1 4.1Å; W92-F95 HydrophobicContact CE3-CG 4.46Å; W92-F95 HydrophobicContact CZ3-CD1 4.09Å; W92-F95 HydrophobicContact CZ3-CE1 4.34Å; W92-F95 PolarHBondContact O-N 2.82Å; W92-A96 WeakPolarHBondContact O-CB 3.48Å; W92-A96 PolarHBondContact O-N 2.88Å
93V91.5Very high88.6Confident54 Ų5448.6 Ų48.633%0.32728%0.281SS..Hα-helixtrans-61.9-44.5175.5171.30000110.6L89 T90 Y91 T97 Y139 I143L89-V93 WeakPolarHBondContact O-CG2 3.43Å; L89-V93 PolarHBondContact O-N 2.87Å; T90-V93 PolarHBondContact O-N 3.44Å; Y91-V93 PolarHBondContact O-N 3.39Å; V93-T97 WeakPolarHBondContact O-CB 3.47Å; V93-T97 PolarHBondContact O-N 2.91Å; V93-T97 PolarHBondContact O-OG1 3.18Å; V93-Y139 HydrophobicContact CG1-CD2 4.16Å; V93-Y139 HydrophobicContact CG1-CE2 4.17Å; V93-I143 HydrophobicContact CG1-CD1 4.33Å; V93-I143 HydrophobicContact CG1-CG2 4.21Å
94V89.6Confident88.7Confident0 Ų050.5 Ų50.50%028%0.282CS..Hα-helixtrans-69.6-41.8179-1770000110.5T90 Y91 W92 T97 L98 M127 A135 I138 I143T90-V94 HydrophobicContact CG2-CG2 4.48Å; T90-V94 WeakPolarHBondContact O-CG2 3.42Å; T90-V94 PolarHBondContact O-N 3.24Å; T90-V94 VanDerWaalsContact O-N 3.08Å; Y91-V94 PolarHBondContact O-N 3.31Å; W92-V94 VanDerWaalsContact C-N 3.34Å; V94-T97 PolarHBondContact O-N 3.37Å; V94-L98 HydrophobicContact CG1-CD1 4.18Å; V94-L98 HydrophobicContact CG1-CG 4.26Å; V94-L98 WeakPolarHBondContact O-CB 3.41Å; V94-L98 WeakPolarHBondContact O-CG 3.38Å; V94-L98 PolarHBondContact O-N 3.05Å; V94-M127 HydrophobicContact CB-CE 4.33Å; V94-M127 HydrophobicContact CG1-CE 3.77Å; V94-A135 HydrophobicContact CB-CB 4.21Å; V94-A135 HydrophobicContact CG1-CB 4.42Å; V94-A135 HydrophobicContact CG2-CB 4.17Å; V94-A135 VanDerWaalsContact CG2-O 3.22Å; V94-A135 WeakPolarHBondContact CG2-O 3.41Å; V94-I138 HydrophobicContact CG1-CB 3.98Å; V94-I138 HydrophobicContact CG1-CD1 4.12Å; V94-I138 HydrophobicContact CG1-CG2 3.75Å; V94-I143 HydrophobicContact CB-CD1 4.21Å; V94-I143 HydrophobicContact CG1-CD1 4.44Å; V94-I143 HydrophobicContact CG2-CD1 3.7Å
95F90.5Very high88.7Confident23 Ų2349.1 Ų49.110%0.10128%0.276CS..Hα-helixtrans-56-54.2175.1179.2-89.9000110.5Y91 W92 T97 L98 S99 F123 M127Y91-F95 HydrophobicContact CD1-CB 4.47Å; Y91-F95 HydrophobicContact CE1-CB 4.13Å; Y91-F95 HydrophobicContact CE1-CD2 4.29Å; Y91-F95 HydrophobicContact CE1-CG 4.44Å; Y91-F95 VanDerWaalsContact O-CB 3.32Å; Y91-F95 WeakPolarHBondContact O-CB 3.29Å; Y91-F95 PolarHBondContact O-N 3.34Å; W92-F95 HydrophobicContact CE3-CD1 4.1Å; W92-F95 HydrophobicContact CE3-CG 4.46Å; W92-F95 HydrophobicContact CZ3-CD1 4.09Å; W92-F95 HydrophobicContact CZ3-CE1 4.34Å; W92-F95 PolarHBondContact O-N 2.82Å; F95-T97 PolarHBondContact O-N 3.48Å; F95-L98 PolarHBondContact O-N 3.39Å; F95-S99 WeakPolarHBondContact O-CB 3.39Å; F95-S99 PolarHBondContact O-N 3.39Å; F95-S99 PolarHBondContact O-OG 2.88Å; F95-F123 HydrophobicContact CD2-CE1 4.44Å; F95-F123 AromaticContact CD2-CZ 3.74Å; F95-F123 HydrophobicContact CD2-CZ 3.74Å; F95-F123 AromaticContact CE2-CE1 3.9Å; F95-F123 HydrophobicContact CE2-CE1 3.9Å; F95-F123 AromaticContact CE2-CZ 3.48Å; F95-F123 HydrophobicContact CE2-CZ 3.48Å; F95-F123 VanDerWaalsContact CE2-CZ 3.48Å; F95-F123 HydrophobicContact CZ-CZ 4.17Å; F95-M127 VanDerWaalsContact CA-CE 3.47Å; F95-M127 HydrophobicContact CB-CE 4.16Å; F95-M127 HydrophobicContact CB-SD 3.85Å; F95-M127 HydrophobicContact CD2-CG 4.12Å; F95-M127 HydrophobicContact CD2-SD 3.7Å; F95-M127 HydrophobicContact CG-SD 4.27Å
96A91.9Very high88.6Confident52 Ų5248.5 Ų48.543%0.4327%0.273SS..Hα-helixtrans-60.6-43.3179.500000112.3W92 S99 V100W92-A96 WeakPolarHBondContact O-CB 3.48Å; W92-A96 PolarHBondContact O-N 2.88Å; A96-S99 PolarHBondContact O-N 3.05Å; A96-V100 WeakPolarHBondContact O-CG2 3.48Å; A96-V100 PolarHBondContact O-N 3.46Å
97T89.7Confident88.4Confident52 Ų5250.3 Ų50.332%0.31928%0.278SS..Hα-helixtrans-61-47.7177.3-56.50000111.2V93 V94 F95 V100 I101 I143V93-T97 WeakPolarHBondContact O-CB 3.47Å; V93-T97 PolarHBondContact O-N 2.91Å; V93-T97 PolarHBondContact O-OG1 3.18Å; V94-T97 PolarHBondContact O-N 3.37Å; F95-T97 PolarHBondContact O-N 3.48Å; T97-V100 PolarHBondContact O-N 3.31Å; T97-I101 HydrophobicContact CG2-CD1 4.12Å; T97-I101 WeakPolarHBondContact O-CG1 3.41Å; T97-I101 PolarHBondContact O-N 3.24Å; T97-I101 VanDerWaalsContact O-N 3.1Å; T97-I143 HydrophobicContact CG2-CD1 4.23Å
98L88.3Confident88.2Confident25 Ų2553.3 Ų53.313%0.13130%0.296CS..Hα-helixtrans-67.7-35.3178.6-69.6-171.4000112.2V94 F95 I101 E102 F123 M126 M127 I138V94-L98 HydrophobicContact CG1-CD1 4.18Å; V94-L98 HydrophobicContact CG1-CG 4.26Å; V94-L98 WeakPolarHBondContact O-CB 3.41Å; V94-L98 WeakPolarHBondContact O-CG 3.38Å; V94-L98 PolarHBondContact O-N 3.05Å; F95-L98 PolarHBondContact O-N 3.39Å; L98-I101 HydrophobicContact CD2-CD1 4.3Å; L98-I101 CarbonylContact O-C 3.38Å; L98-I101 PolarHBondContact O-N 2.98Å; L98-E102 VanDerWaalsContact O-CB 3.28Å; L98-E102 WeakPolarHBondContact O-CB 3.33Å; L98-E102 PolarHBondContact O-N 2.86Å; L98-F123 HydrophobicContact CB-CD2 3.91Å; L98-F123 HydrophobicContact CB-CE2 3.67Å; L98-M126 HydrophobicContact CD1-CB 4.23Å; L98-M126 HydrophobicContact CD1-CE 3.97Å; L98-M126 HydrophobicContact CD1-SD 4.34Å; L98-M127 HydrophobicContact CB-CE 4.2Å; L98-M127 HydrophobicContact CD1-CE 3.31Å; L98-M127 HydrophobicContact CG-CE 4.02Å; L98-I138 HydrophobicContact CD1-CD1 4.43Å
99S89Confident87.8Confident21 Ų2156.5 Ų56.515%0.14731%0.31CS..Hα-helixtrans-65.2-37.3175.7-64.70000112.5F95 A96 E102 S103F95-S99 WeakPolarHBondContact O-CB 3.39Å; F95-S99 PolarHBondContact O-N 3.39Å; F95-S99 PolarHBondContact O-OG 2.88Å; A96-S99 PolarHBondContact O-N 3.05Å; S99-E102 PolarHBondContact O-N 2.93Å; S99-S103 WeakPolarHBondContact O-CB 3.23Å; S99-S103 PolarHBondContact O-N 2.73Å; S99-S103 PolarHBondContact O-OG 2.88Å
100V89.2Confident87.2Confident90 Ų9058.4 Ų58.455%0.54531%0.314SS..Hα-helixtrans-64.9-46.7172.4172.90000110.3A96 T97 E102 S103 L104A96-V100 WeakPolarHBondContact O-CG2 3.48Å; A96-V100 PolarHBondContact O-N 3.46Å; T97-V100 PolarHBondContact O-N 3.31Å; V100-E102 VanDerWaalsContact C-N 3.31Å; V100-E102 PolarHBondContact O-N 3.12Å; V100-S103 PolarHBondContact O-N 2.92Å; V100-L104 HydrophobicContact CG1-CD1 4.43Å; V100-L104 WeakPolarHBondContact O-CG 3.36Å; V100-L104 PolarHBondContact O-N 3.14Å
101I87.9Confident86.7Confident84 Ų8466.2 Ų66.243%0.43134%0.341SS..Hα-helixtrans-60.8-42.4176.1-66166.4000110.7T97 L98 S103 L104 T105T97-I101 HydrophobicContact CG2-CD1 4.12Å; T97-I101 WeakPolarHBondContact O-CG1 3.41Å; T97-I101 PolarHBondContact O-N 3.24Å; T97-I101 VanDerWaalsContact O-N 3.1Å; L98-I101 HydrophobicContact CD2-CD1 4.3Å; L98-I101 CarbonylContact O-C 3.38Å; L98-I101 PolarHBondContact O-N 2.98Å; I101-S103 VanDerWaalsContact C-N 3.29Å; I101-S103 PolarHBondContact O-N 3.43Å; I101-L104 PolarHBondContact O-N 3.3Å; I101-T105 HydrophobicContact CG2-CG2 4.36Å; I101-T105 WeakPolarHBondContact O-CG2 3.28Å; I101-T105 PolarHBondContact O-N 3.2Å; I101-T105 PolarHBondContact O-OG1 3.43Å
102E85.6Confident86.2Confident13 Ų1368.7 Ų68.76%0.06135%0.354CS..Hα-helixtrans-59.2-41.7177.8-161.8-146.3167.200111.5S58 N62 L98 S99 V100 T105 D106 K119S58-E102 PolarHBondContact OG-OE1 2.96Å; N62-E102 PolarHBondContact ND2-OE2 3.33Å; L98-E102 VanDerWaalsContact O-CB 3.28Å; L98-E102 WeakPolarHBondContact O-CB 3.33Å; L98-E102 PolarHBondContact O-N 2.86Å; S99-E102 PolarHBondContact O-N 2.93Å; V100-E102 VanDerWaalsContact C-N 3.31Å; V100-E102 PolarHBondContact O-N 3.12Å; E102-T105 PolarHBondContact O-N 2.91Å; E102-T105 PolarHBondContact O-OG1 3.46Å; E102-D106 PolarHBondContact O-N 3.48Å; E102-K119 VanDerWaalsContact CG-NZ 3.34Å; E102-K119 IonicContact OE1-NZ 2.7Å; E102-K119 PolarHBondContact OE1-NZ 3.03Å
103S84.7Confident85.3Confident67 Ų6770.7 Ų70.747%0.46938%0.377SS..Hα-helixtrans-67.5-37.6178.2-56.90000111.6S99 V100 I101 I107S99-S103 WeakPolarHBondContact O-CB 3.23Å; S99-S103 PolarHBondContact O-N 2.73Å; S99-S103 PolarHBondContact O-OG 2.88Å; V100-S103 PolarHBondContact O-N 2.92Å; I101-S103 VanDerWaalsContact C-N 3.29Å; I101-S103 PolarHBondContact O-N 3.43Å; S103-I107 WeakPolarHBondContact O-CG1 3.45Å; S103-I107 PolarHBondContact O-N 3.04Å
104L86.4Confident84.5Confident99 Ų9974.3 Ų74.352%0.51839%0.393SS..Hα-helixtrans-68.6-39.3175.3-67.9174.6000111.7V100 I101 D106 I107 L108V100-L104 HydrophobicContact CG1-CD1 4.43Å; V100-L104 WeakPolarHBondContact O-CG 3.36Å; V100-L104 PolarHBondContact O-N 3.14Å; I101-L104 PolarHBondContact O-N 3.3Å; L104-D106 VanDerWaalsContact C-N 3.31Å; L104-D106 PolarHBondContact O-N 2.77Å; L104-I107 PolarHBondContact O-N 3.01Å; L104-L108 WeakPolarHBondContact O-CG 3.34Å; L104-L108 PolarHBondContact O-N 2.94Å
105T85.7Confident84Confident29 Ų2977 Ų7718%0.17840%0.404CS..Hα-helixtrans-69.9-29.1178.459.40000112.6I101 E102 L108 F109 Y115I101-T105 HydrophobicContact CG2-CG2 4.36Å; I101-T105 WeakPolarHBondContact O-CG2 3.28Å; I101-T105 PolarHBondContact O-N 3.2Å; I101-T105 PolarHBondContact O-OG1 3.43Å; E102-T105 PolarHBondContact O-N 2.91Å; E102-T105 PolarHBondContact O-OG1 3.46Å; T105-L108 PolarHBondContact O-N 3.43Å; T105-F109 WeakPolarHBondContact O-CB 3.38Å; T105-F109 WeakPolarHBondContact O-CD2 3.32Å; T105-F109 PolarHBondContact O-N 2.88Å; T105-Y115 VanDerWaalsContact CB-OH 3.29Å; T105-Y115 WeakPolarHBondContact CB-OH 3.25Å
106D83Confident83.3Confident47 Ų4777.6 Ų77.625%0.25141%0.411SS..Hα-helixtrans-58.2-48.2168.9-84.3-38.1000111.6E102 L104 L108 F109 F110 K119E102-D106 PolarHBondContact O-N 3.48Å; L104-D106 VanDerWaalsContact C-N 3.31Å; L104-D106 PolarHBondContact O-N 2.77Å; D106-L108 PolarHBondContact O-N 3.04Å; D106-F109 PolarHBondContact O-N 3.01Å; D106-F110 WeakPolarHBondContact O-CA 3.43Å; D106-F110 WeakPolarHBondContact O-CB 3.41Å; D106-F110 PolarHBondContact O-N 3.13Å; D106-K119 WeakPolarHBondContact OD1-CE 3.47Å; D106-K119 IonicContact OD1-NZ 3.83Å; D106-K119 PolarHBondContact OD1-NZ 3.02Å; D106-K119 IonicContact OD2-NZ 2.86Å; D106-K119 PolarHBondContact OD2-NZ 3.39Å
107I83.5Confident82.7Confident122 Ų12278.7 Ų78.763%0.62641%0.409SS*.Hα-helixtrans-61.9-35.4-179.1-62166.5000111.5S103 L104 F110S103-I107 WeakPolarHBondContact O-CG1 3.45Å; S103-I107 PolarHBondContact O-N 3.04Å; L104-I107 PolarHBondContact O-N 3.01Å; I107-F110 WeakPolarHBondContact O-CD1 3.32Å
108L84.5Confident82.4Confident117 Ų11781.9 Ų81.961%0.61342%0.423SS*.Hα-helixtrans-83.5-34.9-177.7-64.2177.6000113.7L104 T105 D106 W111L104-L108 WeakPolarHBondContact O-CG 3.34Å; L104-L108 PolarHBondContact O-N 2.94Å; T105-L108 PolarHBondContact O-N 3.43Å; D106-L108 PolarHBondContact O-N 3.04Å; L108-W111 PolarHBondContact O-NE1 2.88Å
109F80Confident82.1Confident79 Ų7981.5 Ų81.535%0.34642%0.421SS..Hα-helixtrans-118.510.5-168.8-62.2-75.8000114.1T105 D106 W111 I112 Y115T105-F109 WeakPolarHBondContact O-CB 3.38Å; T105-F109 WeakPolarHBondContact O-CD2 3.32Å; T105-F109 PolarHBondContact O-N 2.88Å; D106-F109 PolarHBondContact O-N 3.01Å; F109-W111 PolarHBondContact O-N 3.39Å; F109-I112 HydrophobicContact CD1-CD1 3.82Å; F109-I112 PolarHBondContact O-N 3.32Å; F109-Y115 HydrophobicContact CB-CD1 3.53Å; F109-Y115 HydrophobicContact CB-CD2 4.24Å; F109-Y115 HydrophobicContact CB-CE1 3.35Å; F109-Y115 HydrophobicContact CB-CE2 4.08Å; F109-Y115 HydrophobicContact CB-CG 4Å; F109-Y115 HydrophobicContact CD2-CE1 4.11Å; F109-Y115 HydrophobicContact CD2-CE2 4.33Å; F109-Y115 AromaticContact CD2-CZ 3.71Å; F109-Y115 WeakPolarHBondContact CD2-OH 3.41Å; F109-Y115 HydrophobicContact CG-CE1 4.03Å; F109-Y115 HydrophobicContact CG-CE2 4.14Å; F109-Y115 AromaticContact CG-CZ 3.81Å
110F77.3Confident81.9Confident158 Ų15880.7 Ų80.769%0.69342%0.415SS*.THydrogen-bonded Turntrans-53.3-24.2179.172.9-84.9000114.3D106 I107 I112D106-F110 WeakPolarHBondContact O-CA 3.43Å; D106-F110 WeakPolarHBondContact O-CB 3.41Å; D106-F110 PolarHBondContact O-N 3.13Å; I107-F110 WeakPolarHBondContact O-CD1 3.32Å; F110-I112 VanDerWaalsContact C-N 3.33Å
111W80.1Confident81.7Confident180 Ų18081 Ų8168%0.68241%0.413SS*.THydrogen-bonded Turntrans-77.1-15-178.266.6-78.3000113.8L108 F109L108-W111 PolarHBondContact O-NE1 2.88Å; F109-W111 PolarHBondContact O-N 3.39Å
112I80.4Confident81.6Confident61 Ų6182.8 Ų82.831%0.31342%0.418SS..SBendtrans-89.5118.8-177.9-57.9-178.8000110F109 F110 Y115F109-I112 HydrophobicContact CD1-CD1 3.82Å; F109-I112 PolarHBondContact O-N 3.32Å; F110-I112 VanDerWaalsContact C-N 3.33Å; I112-Y115 VanDerWaalsContact O-CB 3.27Å; I112-Y115 WeakPolarHBondContact O-CB 3.39Å; I112-Y115 PolarHBondContact O-N 3.28Å
113P71.6Confident81.6Confident112 Ų11282.5 Ų82.573%0.72742%0.417SS*.THydrogen-bonded Turntrans-65.4143.7178.127.4-33.6000111.2Y115P113-Y115 PolarHBondContact O-N 3.06Å; P113-Y115 VanDerWaalsContact O-N 3.09Å
114L74.8Confident81.6Confident130 Ų13081.1 Ų81.168%0.68140%0.404SS*.THydrogen-bonded Turntrans64.3-4.3-174.9-57.7173.8000116.4S116 L117 L118L114-S116 VanDerWaalsContact C-N 3.29Å; L114-S116 PolarHBondContact O-N 2.83Å; L114-L117 PolarHBondContact O-N 3.45Å; L114-L118 PolarHBondContact O-N 2.93Å; L114-L118 VanDerWaalsContact O-N 3.12Å
115Y79Confident81.5Confident56 Ų5683.4 Ų83.422%0.2241%0.41CS..Hα-helixtrans-57.4-44.2175.8178.6-101.3000111.6T105 F109 I112 P113 L117 L118 K119T105-Y115 VanDerWaalsContact CB-OH 3.29Å; T105-Y115 WeakPolarHBondContact CB-OH 3.25Å; F109-Y115 HydrophobicContact CB-CD1 3.53Å; F109-Y115 HydrophobicContact CB-CD2 4.24Å; F109-Y115 HydrophobicContact CB-CE1 3.35Å; F109-Y115 HydrophobicContact CB-CE2 4.08Å; F109-Y115 HydrophobicContact CB-CG 4Å; F109-Y115 HydrophobicContact CD2-CE1 4.11Å; F109-Y115 HydrophobicContact CD2-CE2 4.33Å; F109-Y115 AromaticContact CD2-CZ 3.71Å; F109-Y115 WeakPolarHBondContact CD2-OH 3.41Å; F109-Y115 HydrophobicContact CG-CE1 4.03Å; F109-Y115 HydrophobicContact CG-CE2 4.14Å; F109-Y115 AromaticContact CG-CZ 3.81Å; I112-Y115 VanDerWaalsContact O-CB 3.27Å; I112-Y115 WeakPolarHBondContact O-CB 3.39Å; I112-Y115 PolarHBondContact O-N 3.28Å; P113-Y115 PolarHBondContact O-N 3.06Å; P113-Y115 VanDerWaalsContact O-N 3.09Å; Y115-L117 VanDerWaalsContact C-N 3.28Å; Y115-L117 PolarHBondContact O-N 3.22Å; Y115-L118 PolarHBondContact O-N 3.44Å; Y115-K119 HydrophobicContact CD1-CD 3.72Å; Y115-K119 HydrophobicContact CE1-CB 4.33Å; Y115-K119 HydrophobicContact CE1-CD 3.37Å; Y115-K119 HydrophobicContact CE1-CG 4.4Å; Y115-K119 WeakPolarHBondContact O-CB 3.39Å; Y115-K119 WeakPolarHBondContact O-CG 3.37Å; Y115-K119 PolarHBondContact O-N 3.38Å
116S76.9Confident81.2Confident35 Ų3584.2 Ų84.225%0.24541%0.412CS..Hα-helixtrans-61.2-34.6179.1-50.90000113.2L114 K119 S120L114-S116 VanDerWaalsContact C-N 3.29Å; L114-S116 PolarHBondContact O-N 2.83Å; S116-K119 WeakPolarHBondContact O-CG 3.41Å; S116-S120 VanDerWaalsContact O-CB 3.23Å; S116-S120 WeakPolarHBondContact O-CB 3.04Å; S116-S120 PolarHBondContact O-N 3.26Å; S116-S120 VanDerWaalsContact O-N 3.14Å; S116-S120 PolarHBondContact O-OG 3.16Å
117L79Confident81Confident76 Ų7682.1 Ų82.140%0.39840%0.401SS..Hα-helixtrans-71.8-50.5176.6-179.166000111.1T57 L114 Y115 K119 S120 L121T57-L117 HydrophobicContact CG2-CD1 3.87Å; L114-L117 PolarHBondContact O-N 3.45Å; Y115-L117 VanDerWaalsContact C-N 3.28Å; Y115-L117 PolarHBondContact O-N 3.22Å; L117-K119 PolarHBondContact O-N 3.03Å; L117-S120 PolarHBondContact O-N 3.36Å; L117-L121 HydrophobicContact CD1-CD1 4.34Å; L117-L121 HydrophobicContact CD1-CG 4.42Å; L117-L121 HydrophobicContact CG-CD1 4.13Å; L117-L121 WeakPolarHBondContact O-CB 3.2Å; L117-L121 VanDerWaalsContact O-CG 3.32Å; L117-L121 WeakPolarHBondContact O-CG 3.36Å; L117-L121 PolarHBondContact O-N 2.96Å
118L82.8Confident80.8Confident118 Ų11880.3 Ų80.362%0.61839%0.392SS*.Hα-helixtrans-62.4-42.7-178.2-72.6172.4000111.8L114 Y115 L121 F122L114-L118 PolarHBondContact O-N 2.93Å; L114-L118 VanDerWaalsContact O-N 3.12Å; Y115-L118 PolarHBondContact O-N 3.44Å; L118-L121 PolarHBondContact O-N 3.1Å; L118-F122 WeakPolarHBondContact O-CB 3.37Å; L118-F122 PolarHBondContact O-N 3.33Å
119K83.4Confident80Confident18 Ų1876.7 Ų76.78%0.07838%0.375CS..Hα-helixtrans-66.5-40.8177.485.7-169.6177.497.10111.6E102 D106 Y115 S116 L117 L121 F122 F123E102-K119 VanDerWaalsContact CG-NZ 3.34Å; E102-K119 IonicContact OE1-NZ 2.7Å; E102-K119 PolarHBondContact OE1-NZ 3.03Å; D106-K119 WeakPolarHBondContact OD1-CE 3.47Å; D106-K119 IonicContact OD1-NZ 3.83Å; D106-K119 PolarHBondContact OD1-NZ 3.02Å; D106-K119 IonicContact OD2-NZ 2.86Å; D106-K119 PolarHBondContact OD2-NZ 3.39Å; Y115-K119 HydrophobicContact CD1-CD 3.72Å; Y115-K119 HydrophobicContact CE1-CB 4.33Å; Y115-K119 HydrophobicContact CE1-CD 3.37Å; Y115-K119 HydrophobicContact CE1-CG 4.4Å; Y115-K119 WeakPolarHBondContact O-CB 3.39Å; Y115-K119 WeakPolarHBondContact O-CG 3.37Å; Y115-K119 PolarHBondContact O-N 3.38Å; S116-K119 WeakPolarHBondContact O-CG 3.41Å; L117-K119 PolarHBondContact O-N 3.03Å; K119-L121 VanDerWaalsContact C-N 3.35Å; K119-F122 CarbonylContact O-C 3.58Å; K119-F122 WeakPolarHBondContact O-CB 3.48Å; K119-F122 PolarHBondContact O-N 3.29Å; K119-F123 WeakPolarHBondContact O-CB 3.05Å; K119-F123 PolarHBondContact O-N 3.32Å
120S84.7Confident79.3Confident3 Ų376.8 Ų76.82%0.02138%0.382CS..Hα-helixtrans-69.5-35.1179.5-68.30000111.5S58 S116 L117 L124S58-S120 WeakPolarHBondContact CA-OG 3.37Å; S58-S120 PolarHBondContact OG-OG 2.96Å; S116-S120 VanDerWaalsContact O-CB 3.23Å; S116-S120 WeakPolarHBondContact O-CB 3.04Å; S116-S120 PolarHBondContact O-N 3.26Å; S116-S120 VanDerWaalsContact O-N 3.14Å; S116-S120 PolarHBondContact O-OG 3.16Å; L117-S120 PolarHBondContact O-N 3.36Å; S120-L124 WeakPolarHBondContact O-CB 3.36Å; S120-L124 WeakPolarHBondContact O-CG 3.36Å; S120-L124 PolarHBondContact O-N 3.41Å
121L85.1Confident78.4Confident96 Ų9674.3 Ų74.350%0.50339%0.385SS..Hα-helixtrans-64.2-42.2169.4-73.2173.6000111.6L117 L118 K119 L124 F125L117-L121 HydrophobicContact CD1-CD1 4.34Å; L117-L121 HydrophobicContact CD1-CG 4.42Å; L117-L121 HydrophobicContact CG-CD1 4.13Å; L117-L121 WeakPolarHBondContact O-CB 3.2Å; L117-L121 VanDerWaalsContact O-CG 3.32Å; L117-L121 WeakPolarHBondContact O-CG 3.36Å; L117-L121 PolarHBondContact O-N 2.96Å; L118-L121 PolarHBondContact O-N 3.1Å; K119-L121 VanDerWaalsContact C-N 3.35Å; L121-L124 PolarHBondContact O-N 3.29Å; L121-F125 WeakPolarHBondContact O-CB 3.48Å; L121-F125 PolarHBondContact O-N 2.94Å
122F85.3Confident77.3Confident122 Ų12270.8 Ų70.854%0.53539%0.385SS..Hα-helixtrans-65.4-42.8176.6178.8-116.8000112.3L118 K119 F125 M126L118-F122 WeakPolarHBondContact O-CB 3.37Å; L118-F122 PolarHBondContact O-N 3.33Å; K119-F122 CarbonylContact O-C 3.58Å; K119-F122 WeakPolarHBondContact O-CB 3.48Å; K119-F122 PolarHBondContact O-N 3.29Å; F122-F125 PolarHBondContact O-N 2.9Å; F122-M126 HydrophobicContact CD1-CE 3.39Å; F122-M126 HydrophobicContact CD2-CE 4.36Å; F122-M126 HydrophobicContact CE1-CE 3.01Å; F122-M126 HydrophobicContact CE1-SD 3.9Å; F122-M126 HydrophobicContact CE2-CE 4.04Å; F122-M126 HydrophobicContact CE2-CG 4.24Å; F122-M126 HydrophobicContact CE2-SD 4.12Å; F122-M126 HydrophobicContact CG-CE 4.07Å; F122-M126 HydrophobicContact CZ-CE 3.36Å; F122-M126 HydrophobicContact CZ-CG 4.29Å; F122-M126 HydrophobicContact CZ-SD 3.58Å; F122-M126 VanDerWaalsContact CZ-SD 3.58Å; F122-M126 PolarHBondContact O-N 2.8Å
123F85.6Confident76.6Confident8 Ų869.2 Ų69.24%0.03538%0.377CS..Hα-helixtrans-58.5-50.8172.5173.9-99000110.9A61 N62 F95 L98 K119 F125 M126 M127A61-F123 HydrophobicContact CB-CD1 4.33Å; N62-F123 WeakPolarHBondContact OD1-CE1 3.09Å; F95-F123 HydrophobicContact CD2-CE1 4.44Å; F95-F123 AromaticContact CD2-CZ 3.74Å; F95-F123 HydrophobicContact CD2-CZ 3.74Å; F95-F123 AromaticContact CE2-CE1 3.9Å; F95-F123 HydrophobicContact CE2-CE1 3.9Å; F95-F123 AromaticContact CE2-CZ 3.48Å; F95-F123 HydrophobicContact CE2-CZ 3.48Å; F95-F123 VanDerWaalsContact CE2-CZ 3.48Å; F95-F123 HydrophobicContact CZ-CZ 4.17Å; L98-F123 HydrophobicContact CB-CD2 3.91Å; L98-F123 HydrophobicContact CB-CE2 3.67Å; K119-F123 WeakPolarHBondContact O-CB 3.05Å; K119-F123 PolarHBondContact O-N 3.32Å; F123-F125 VanDerWaalsContact C-N 3.33Å; F123-F125 PolarHBondContact O-N 3.42Å; F123-M126 PolarHBondContact O-N 3.39Å; F123-M127 HydrophobicContact CD1-CG 4.43Å; F123-M127 HydrophobicContact CD2-CG 4.4Å; F123-M127 HydrophobicContact CE1-CG 4.1Å; F123-M127 HydrophobicContact CE2-CG 4.07Å; F123-M127 HydrophobicContact CZ-CG 3.92Å; F123-M127 VanDerWaalsContact O-CB 3.3Å; F123-M127 WeakPolarHBondContact O-CB 3.42Å; F123-M127 WeakPolarHBondContact O-CG 3.48Å; F123-M127 PolarHBondContact O-N 3.46Å
124L83.9Confident76.6Confident37 Ų3764.9 Ų64.919%0.19435%0.353CS..Hα-helixtrans-57.5-47.3175.4-85.6171.4000111.7A61 I64 S120 L121 M126 M127 I128A61-L124 HydrophobicContact CB-CD1 3.79Å; A61-L124 HydrophobicContact CB-CD2 4.29Å; A61-L124 HydrophobicContact CB-CG 3.7Å; A61-L124 WeakPolarHBondContact O-CD2 3.16Å; I64-L124 HydrophobicContact CB-CD2 3.82Å; I64-L124 HydrophobicContact CG2-CD2 3.69Å; S120-L124 WeakPolarHBondContact O-CB 3.36Å; S120-L124 WeakPolarHBondContact O-CG 3.36Å; S120-L124 PolarHBondContact O-N 3.41Å; L121-L124 PolarHBondContact O-N 3.29Å; L124-M126 VanDerWaalsContact C-N 3.32Å; L124-M126 PolarHBondContact O-N 3.41Å; L124-M127 CarbonylContact O-C 3.6Å; L124-M127 WeakPolarHBondContact O-CA 3.32Å; L124-M127 PolarHBondContact O-N 3.37Å; L124-I128 VanDerWaalsContact O-CG1 3.22Å; L124-I128 WeakPolarHBondContact O-CG1 3.3Å; L124-I128 PolarHBondContact O-N 2.92Å
125F84.6Confident76.7Confident148 Ų14859.1 Ų59.165%0.64932%0.323SS*.Hα-helixtrans-57.8-43.6179.5179.2-99.3000111.8L121 F122 F123 M127 I128L121-F125 WeakPolarHBondContact O-CB 3.48Å; L121-F125 PolarHBondContact O-N 2.94Å; F122-F125 PolarHBondContact O-N 2.9Å; F123-F125 VanDerWaalsContact C-N 3.33Å; F123-F125 PolarHBondContact O-N 3.42Å; F125-M127 VanDerWaalsContact C-N 3.3Å; F125-M127 PolarHBondContact O-N 2.87Å; F125-I128 PolarHBondContact O-N 2.93Å
126M79.2Confident76.6Confident45 Ų4559.1 Ų59.122%0.22233%0.327CS..Hα-helixtrans-70.2-26.8174-76.3-167.7-69.500113.4L98 F122 F123 L124 I138L98-M126 HydrophobicContact CD1-CB 4.23Å; L98-M126 HydrophobicContact CD1-CE 3.97Å; L98-M126 HydrophobicContact CD1-SD 4.34Å; F122-M126 HydrophobicContact CD1-CE 3.39Å; F122-M126 HydrophobicContact CD2-CE 4.36Å; F122-M126 HydrophobicContact CE1-CE 3.01Å; F122-M126 HydrophobicContact CE1-SD 3.9Å; F122-M126 HydrophobicContact CE2-CE 4.04Å; F122-M126 HydrophobicContact CE2-CG 4.24Å; F122-M126 HydrophobicContact CE2-SD 4.12Å; F122-M126 HydrophobicContact CG-CE 4.07Å; F122-M126 HydrophobicContact CZ-CE 3.36Å; F122-M126 HydrophobicContact CZ-CG 4.29Å; F122-M126 HydrophobicContact CZ-SD 3.58Å; F122-M126 VanDerWaalsContact CZ-SD 3.58Å; F122-M126 PolarHBondContact O-N 2.8Å; F123-M126 PolarHBondContact O-N 3.39Å; L124-M126 VanDerWaalsContact C-N 3.32Å; L124-M126 PolarHBondContact O-N 3.41Å; M126-I138 HydrophobicContact CB-CD1 4.43Å; M126-I138 HydrophobicContact SD-CD1 4.04Å
127M80Confident76.7Confident4 Ų462.6 Ų62.62%0.0234%0.342CS..Hα-helixtrans-87-6.1178.4-77.1-61138.800114.2Y91 V94 F95 L98 F123 L124 F125 P129Y91-M127 HydrophobicContact CD2-SD 4.45Å; Y91-M127 HydrophobicContact CE1-SD 4.33Å; Y91-M127 VanDerWaalsContact CE2-O 3.31Å; Y91-M127 WeakPolarHBondContact CE2-O 3.22Å; Y91-M127 HydrophobicContact CE2-SD 3.61Å; Y91-M127 VanDerWaalsContact CZ-SD 3.52Å; Y91-M127 PolarHBondContact OH-O 3.34Å; Y91-M127 PolarHBondContact OH-SD 2.83Å; Y91-M127 VanDerWaalsContact OH-SD 3.38Å; V94-M127 HydrophobicContact CB-CE 4.33Å; V94-M127 HydrophobicContact CG1-CE 3.77Å; F95-M127 VanDerWaalsContact CA-CE 3.47Å; F95-M127 HydrophobicContact CB-CE 4.16Å; F95-M127 HydrophobicContact CB-SD 3.85Å; F95-M127 HydrophobicContact CD2-CG 4.12Å; F95-M127 HydrophobicContact CD2-SD 3.7Å; F95-M127 HydrophobicContact CG-SD 4.27Å; L98-M127 HydrophobicContact CB-CE 4.2Å; L98-M127 HydrophobicContact CD1-CE 3.31Å; L98-M127 HydrophobicContact CG-CE 4.02Å; F123-M127 HydrophobicContact CD1-CG 4.43Å; F123-M127 HydrophobicContact CD2-CG 4.4Å; F123-M127 HydrophobicContact CE1-CG 4.1Å; F123-M127 HydrophobicContact CE2-CG 4.07Å; F123-M127 HydrophobicContact CZ-CG 3.92Å; F123-M127 VanDerWaalsContact O-CB 3.3Å; F123-M127 WeakPolarHBondContact O-CB 3.42Å; F123-M127 WeakPolarHBondContact O-CG 3.48Å; F123-M127 PolarHBondContact O-N 3.46Å; L124-M127 CarbonylContact O-C 3.6Å; L124-M127 WeakPolarHBondContact O-CA 3.32Å; L124-M127 PolarHBondContact O-N 3.37Å; F125-M127 VanDerWaalsContact C-N 3.3Å; F125-M127 PolarHBondContact O-N 2.87Å; M127-P129 VanDerWaalsContact O-CD 3.23Å; M127-P129 WeakPolarHBondContact O-CD 3.41Å
128I78.1Confident76.9Confident84 Ų8460.8 Ų60.843%0.43133%0.332SS..SBendtrans-65120.9173.5-54.5-178000107.5L124 F125 T130L124-I128 VanDerWaalsContact O-CG1 3.22Å; L124-I128 WeakPolarHBondContact O-CG1 3.3Å; L124-I128 PolarHBondContact O-N 2.92Å; F125-I128 PolarHBondContact O-N 2.93Å; I128-T130 HydrophobicContact CB-CG2 4.21Å; I128-T130 HydrophobicContact CG2-CG2 3.45Å; I128-T130 VanDerWaalsContact CG2-CG2 3.45Å; I128-T130 PolarHBondContact O-N 3.25Å
129P68.4Low76.9Confident40 Ų4058.1 Ų58.126%0.2631%0.314SS..  trans-77.663.217732.2-32.6000110.1Y68 W88 M127Y68-P129 HydrophobicContact CD1-CG 3.86Å; Y68-P129 HydrophobicContact CE1-CG 3.48Å; Y68-P129 VanDerWaalsContact CE1-CG 3.48Å; W88-P129 HydrophobicContact CH2-CB 4.44Å; M127-P129 VanDerWaalsContact O-CD 3.23Å; M127-P129 WeakPolarHBondContact O-CD 3.41Å
130T65.1Low76.9Confident81 Ų8162 Ų6250%0.49733%0.333SS..PPolyproline II helixtrans-79.4145.3171.453.60000110.3I128 P132 N133I128-T130 HydrophobicContact CB-CG2 4.21Å; I128-T130 HydrophobicContact CG2-CG2 3.45Å; I128-T130 VanDerWaalsContact CG2-CG2 3.45Å; I128-T130 PolarHBondContact O-N 3.25Å; T130-P132 CarbonylContact O-C 2.97Å; T130-N133 WeakPolarHBondContact O-CA 3.5Å; T130-N133 PolarHBondContact O-N 2.87Å; T130-N133 VanDerWaalsContact O-N 3.09Å
131S57.8Low77Confident107 Ų10770 Ų7075%0.74837%0.368SS*.THydrogen-bonded Turntrans-83.1127.2169.4-700000109.4
132P58.3Low77Confident105 Ų10569.1 Ų69.168%0.68237%0.366SS*.THydrogen-bonded Turncis-75135.8-0.728.2-32000113.3T130 G134T130-P132 CarbonylContact O-C 2.97Å; P132-G134 PolarHBondContact O-N 3.39Å
133N65.8Low76.9Confident29 Ų2964.6 Ų64.616%0.15535%0.347CS..THydrogen-bonded Turntrans-55.6104.5-170.3-62.5-53.4000111.7K87 T130 A135 I136 L137K87-N133 VanDerWaalsContact CE-ND2 3.35Å; K87-N133 WeakPolarHBondContact CE-ND2 3.32Å; K87-N133 WeakPolarHBondContact CE-OD1 3.33Å; K87-N133 PolarHBondContact NZ-OD1 2.73Å; T130-N133 WeakPolarHBondContact O-CA 3.5Å; T130-N133 PolarHBondContact O-N 2.87Å; T130-N133 VanDerWaalsContact O-N 3.09Å; N133-A135 PolarHBondContact O-N 3.35Å; N133-A135 VanDerWaalsContact O-N 3.14Å; N133-I136 HydrophobicContact CB-CB 4.1Å; N133-I136 HydrophobicContact CB-CD1 3.72Å; N133-I136 HydrophobicContact CB-CG1 3.67Å; N133-I136 VanDerWaalsContact ND2-CD1 3.27Å; N133-I136 WeakPolarHBondContact ND2-CD1 3.36Å; N133-I136 WeakPolarHBondContact O-CB 3.32Å; N133-I136 PolarHBondContact O-N 2.98Å; N133-L137 PolarHBondContact O-N 3.5Å
134G72Confident76.9Confident21 Ų2169.4 Ų69.422%0.21637%0.365CS..Hα-helixtrans-53.1-36.217800000113P132 I136 L137 I138P132-G134 PolarHBondContact O-N 3.39Å; G134-I136 PolarHBondContact O-N 2.9Å; G134-L137 PolarHBondContact O-N 2.99Å; G134-I138 WeakPolarHBondContact O-CG1 3.5Å; G134-I138 PolarHBondContact O-N 3.4Å
135A75.1Confident77.1Confident8 Ų870.4 Ų70.47%0.06637%0.374CS..Hα-helixtrans-58.8-43.4173.800000113Y91 V94 N133 L137 I138 Y139Y91-A135 HydrophobicContact CD2-CB 4.01Å; V94-A135 HydrophobicContact CB-CB 4.21Å; V94-A135 HydrophobicContact CG1-CB 4.42Å; V94-A135 HydrophobicContact CG2-CB 4.17Å; V94-A135 VanDerWaalsContact CG2-O 3.22Å; V94-A135 WeakPolarHBondContact CG2-O 3.41Å; N133-A135 PolarHBondContact O-N 3.35Å; N133-A135 VanDerWaalsContact O-N 3.14Å; A135-L137 VanDerWaalsContact C-N 3.31Å; A135-L137 PolarHBondContact O-N 3.27Å; A135-I138 PolarHBondContact O-N 2.91Å; A135-Y139 WeakPolarHBondContact O-CB 3.49Å; A135-Y139 PolarHBondContact O-N 2.85Å
136I77.7Confident77.2Confident57 Ų5767.8 Ų67.829%0.29237%0.366SS..Hα-helixtrans-64.3-39.9177.9-61.7-179.2000110.3T90 N133 G134 Y139 E140T90-I136 HydrophobicContact CG2-CG1 4.09Å; N133-I136 HydrophobicContact CB-CB 4.1Å; N133-I136 HydrophobicContact CB-CD1 3.72Å; N133-I136 HydrophobicContact CB-CG1 3.67Å; N133-I136 VanDerWaalsContact ND2-CD1 3.27Å; N133-I136 WeakPolarHBondContact ND2-CD1 3.36Å; N133-I136 WeakPolarHBondContact O-CB 3.32Å; N133-I136 PolarHBondContact O-N 2.98Å; G134-I136 PolarHBondContact O-N 2.9Å; I136-Y139 PolarHBondContact O-N 3.16Å; I136-E140 HydrophobicContact CG2-CG 4.19Å; I136-E140 WeakPolarHBondContact O-CB 3.31Å; I136-E140 WeakPolarHBondContact O-CG 3.23Å; I136-E140 PolarHBondContact O-N 2.93Å
137L79.5Confident77.5Confident107 Ų10770 Ų7056%0.5638%0.375SS*.Hα-helixtrans-63.9-43.8177.3-65.4176.2000112.1N133 G134 A135 Y139 K141N133-L137 PolarHBondContact O-N 3.5Å; G134-L137 PolarHBondContact O-N 2.99Å; A135-L137 VanDerWaalsContact C-N 3.31Å; A135-L137 PolarHBondContact O-N 3.27Å; L137-Y139 VanDerWaalsContact C-N 3.32Å; L137-K141 WeakPolarHBondContact O-CB 3.29Å; L137-K141 PolarHBondContact O-N 3.42Å
138I82.4Confident77.8Confident39 Ų3973.7 Ų73.720%0.239%0.394CS..Hα-helixtrans-63.6-42.2176.2-66.2168.8000110.1V94 L98 M126 G134 A135 V142 I143V94-I138 HydrophobicContact CG1-CB 3.98Å; V94-I138 HydrophobicContact CG1-CD1 4.12Å; V94-I138 HydrophobicContact CG1-CG2 3.75Å; L98-I138 HydrophobicContact CD1-CD1 4.43Å; M126-I138 HydrophobicContact CB-CD1 4.43Å; M126-I138 HydrophobicContact SD-CD1 4.04Å; G134-I138 WeakPolarHBondContact O-CG1 3.5Å; G134-I138 PolarHBondContact O-N 3.4Å; A135-I138 PolarHBondContact O-N 2.91Å; I138-V142 WeakPolarHBondContact O-CA 3.42Å; I138-V142 WeakPolarHBondContact O-CB 2.94Å; I138-V142 PolarHBondContact O-N 2.86Å; I138-I143 HydrophobicContact CG2-CD1 4.33Å; I138-I143 HydrophobicContact CG2-CG1 4.44Å; I138-I143 PolarHBondContact O-N 3.41Å
139Y82.9Confident78.4Confident61 Ų6173 Ų7324%0.23940%0.401CS..Iπ-helixtrans-61.4-55.9178179.9-100.3000111.8T90 V93 A135 I136 L137 K141 I143 R144T90-Y139 VanDerWaalsContact CG2-CB 3.45Å; T90-Y139 HydrophobicContact CG2-CD1 3.94Å; T90-Y139 HydrophobicContact CG2-CD2 4.2Å; T90-Y139 HydrophobicContact CG2-CG 3.6Å; V93-Y139 HydrophobicContact CG1-CD2 4.16Å; V93-Y139 HydrophobicContact CG1-CE2 4.17Å; A135-Y139 WeakPolarHBondContact O-CB 3.49Å; A135-Y139 PolarHBondContact O-N 2.85Å; I136-Y139 PolarHBondContact O-N 3.16Å; L137-Y139 VanDerWaalsContact C-N 3.32Å; Y139-K141 VanDerWaalsContact C-N 3.33Å; Y139-K141 PolarHBondContact O-N 2.89Å; Y139-I143 HydrophobicContact CD2-CB 3.97Å; Y139-I143 HydrophobicContact CD2-CD1 4.42Å; Y139-I143 HydrophobicContact CD2-CG2 4.04Å; Y139-I143 HydrophobicContact CE2-CG2 4.19Å; Y139-I143 PolarHBondContact O-N 2.95Å; Y139-I143 VanDerWaalsContact O-N 3.16Å; Y139-R144 HydrophobicContact CD1-CB 4.36Å; Y139-R144 HydrophobicContact CE1-CB 4.1Å; Y139-R144 HydrophobicContact CE1-CG 4.32Å; Y139-R144 VanDerWaalsContact O-CB 3.24Å; Y139-R144 WeakPolarHBondContact O-CB 3.26Å; Y139-R144 PolarHBondContact O-N 3.45Å
140E84.1Confident79.5Confident100 Ų10075.7 Ų75.747%0.46741%0.41SS..Iπ-helixtrans-64.1-36.6-176.7-73.8-60.6141.900112.8I136 R144 P145I136-E140 HydrophobicContact CG2-CG 4.19Å; I136-E140 WeakPolarHBondContact O-CB 3.31Å; I136-E140 WeakPolarHBondContact O-CG 3.23Å; I136-E140 PolarHBondContact O-N 2.93Å; E140-R144 WeakPolarHBondContact OE2-CD 3.02Å; E140-P145 WeakPolarHBondContact O-CD 3.42Å
141K85.4Confident80.7Confident172 Ų17275.2 Ų75.275%0.74840%0.402SS*.Iπ-helixtrans-89.1-31.5-173.4-167.8169.9-177.5177.10113.9L137 Y139 P145L137-K141 WeakPolarHBondContact O-CB 3.29Å; L137-K141 PolarHBondContact O-N 3.42Å; Y139-K141 VanDerWaalsContact C-N 3.33Å; Y139-K141 PolarHBondContact O-N 2.89Å; K141-P145 VanDerWaalsContact O-CG 3.29Å; K141-P145 WeakPolarHBondContact O-CG 3.35Å
142V85.5Confident82.2Confident76 Ų7678.5 Ų78.546%0.46140%0.403SS..Iπ-helixtrans-119-56.5-171.7-173.80000110.9I138 N146I138-V142 WeakPolarHBondContact O-CA 3.42Å; I138-V142 WeakPolarHBondContact O-CB 2.94Å; I138-V142 PolarHBondContact O-N 2.86Å; V142-N146 WeakPolarHBondContact O-CB 3.29Å; V142-N146 PolarHBondContact O-N 3.4Å; V142-N146 PolarHBondContact O-ND2 3.24Å
143I84Confident83.8Confident27 Ų2778.7 Ų78.714%0.13840%0.398CS..Iπ-helixtrans-71.3-52.1-170.2-57.3178.6000110.8V93 V94 T97 I138 Y139 N146 F147V93-I143 HydrophobicContact CG1-CD1 4.33Å; V93-I143 HydrophobicContact CG1-CG2 4.21Å; V94-I143 HydrophobicContact CB-CD1 4.21Å; V94-I143 HydrophobicContact CG1-CD1 4.44Å; V94-I143 HydrophobicContact CG2-CD1 3.7Å; T97-I143 HydrophobicContact CG2-CD1 4.23Å; I138-I143 HydrophobicContact CG2-CD1 4.33Å; I138-I143 HydrophobicContact CG2-CG1 4.44Å; I138-I143 PolarHBondContact O-N 3.41Å; Y139-I143 HydrophobicContact CD2-CB 3.97Å; Y139-I143 HydrophobicContact CD2-CD1 4.42Å; Y139-I143 HydrophobicContact CD2-CG2 4.04Å; Y139-I143 HydrophobicContact CE2-CG2 4.19Å; Y139-I143 PolarHBondContact O-N 2.95Å; Y139-I143 VanDerWaalsContact O-N 3.16Å; I143-N146 PolarHBondContact O-N 3.38Å; I143-F147 WeakPolarHBondContact O-CB 3.43Å; I143-F147 PolarHBondContact O-N 3.24Å
144R84.9Confident85Confident109 Ų10980.5 Ų80.541%0.41141%0.407SS..Hα-helixtrans-57.2-50.9-176.8-170.5176.8-175.1-83.1-6.7113.7Y139 E140 N146 F147 L148Y139-R144 HydrophobicContact CD1-CB 4.36Å; Y139-R144 HydrophobicContact CE1-CB 4.1Å; Y139-R144 HydrophobicContact CE1-CG 4.32Å; Y139-R144 VanDerWaalsContact O-CB 3.24Å; Y139-R144 WeakPolarHBondContact O-CB 3.26Å; Y139-R144 PolarHBondContact O-N 3.45Å; E140-R144 WeakPolarHBondContact OE2-CD 3.02Å; R144-N146 PolarHBondContact O-N 2.79Å; R144-F147 PolarHBondContact O-N 2.89Å; R144-L148 HydrophobicContact CG-CD1 4.06Å; R144-L148 HydrophobicContact CG-CG 4.49Å; R144-L148 WeakPolarHBondContact O-CB 3.36Å; R144-L148 VanDerWaalsContact O-CG 3.32Å; R144-L148 WeakPolarHBondContact O-CG 3.48Å; R144-L148 PolarHBondContact O-N 3.47Å
145P89.2Confident86Confident59 Ų5983 Ų8338%0.38342%0.416SS..Hα-helixtrans-65.9-38.2179.423.4-32.9000112.4E140 K141 A149E140-P145 WeakPolarHBondContact O-CD 3.42Å; K141-P145 VanDerWaalsContact O-CG 3.29Å; K141-P145 WeakPolarHBondContact O-CG 3.35Å; P145-A149 WeakPolarHBondContact O-CB 3.33Å; P145-A149 PolarHBondContact O-N 3.17Å
146N85.7Confident86.9Confident92 Ų9288.6 Ų88.649%0.49244%0.439SS..Hα-helixtrans-68.3-37.7177.1-76.5-59.2000111.9V142 I143 R144 H150V142-N146 WeakPolarHBondContact O-CB 3.29Å; V142-N146 PolarHBondContact O-N 3.4Å; V142-N146 PolarHBondContact O-ND2 3.24Å; I143-N146 PolarHBondContact O-N 3.38Å; R144-N146 PolarHBondContact O-N 2.79Å; N146-H150 PolarHBondContact O-N 2.96Å; N146-H150 PolarHBondContact O-ND1 2.96Å
147F85.9Confident87.7Confident92 Ų9292.7 Ų92.740%0.40446%0.455SS..Hα-helixtrans-63.6-53.9174.3178.7-97.5000110.9I143 R144 A149 H150 E151I143-F147 WeakPolarHBondContact O-CB 3.43Å; I143-F147 PolarHBondContact O-N 3.24Å; R144-F147 PolarHBondContact O-N 2.89Å; F147-A149 PolarHBondContact O-N 3.2Å; F147-H150 CarbonylContact O-C 3.49Å; F147-H150 PolarHBondContact O-N 2.65Å; F147-E151 HydrophobicContact CE1-CB 4.19Å; F147-E151 HydrophobicContact CE1-CG 3.95Å; F147-E151 HydrophobicContact CZ-CB 4.42Å; F147-E151 HydrophobicContact CZ-CG 4.08Å; F147-E151 WeakPolarHBondContact O-CB 3.41Å; F147-E151 PolarHBondContact O-N 2.99Å
148L87.1Confident88.4Confident81 Ų8192 Ų9242%0.42445%0.451SS..Hα-helixtrans-60.9-31.4-179-68.8175.1000113.1R144 H150R144-L148 HydrophobicContact CG-CD1 4.06Å; R144-L148 HydrophobicContact CG-CG 4.49Å; R144-L148 WeakPolarHBondContact O-CB 3.36Å; R144-L148 VanDerWaalsContact O-CG 3.32Å; R144-L148 WeakPolarHBondContact O-CG 3.48Å; R144-L148 PolarHBondContact O-N 3.47Å; L148-H150 VanDerWaalsContact C-N 3.26Å; L148-H150 PolarHBondContact O-N 2.74Å
149A90Very high89.1Confident71 Ų7194.8 Ų94.859%0.58747%0.466SS*.Hα-helixtrans-67.1-26.5175.100000113.2P145 F147P145-A149 WeakPolarHBondContact O-CB 3.33Å; P145-A149 PolarHBondContact O-N 3.17Å; F147-A149 PolarHBondContact O-N 3.2Å
150H90.9Very high89.7Confident96 Ų9696.9 Ų96.944%0.44448%0.478SS..Hα-helixtrans-116.9-6.9-174-61.191.1000114.1N146 F147 L148 K152 N153 I154N146-H150 PolarHBondContact O-N 2.96Å; N146-H150 PolarHBondContact O-ND1 2.96Å; F147-H150 CarbonylContact O-C 3.49Å; F147-H150 PolarHBondContact O-N 2.65Å; L148-H150 VanDerWaalsContact C-N 3.26Å; L148-H150 PolarHBondContact O-N 2.74Å; H150-K152 VanDerWaalsContact C-N 3.33Å; H150-K152 PolarHBondContact O-N 3.18Å; H150-N153 WeakPolarHBondContact O-CA 3.16Å; H150-N153 WeakPolarHBondContact O-CB 3.22Å; H150-N153 PolarHBondContact O-N 3.04Å; H150-I154 HydrophobicContact CB-CD1 4.04Å; H150-I154 HydrophobicContact CB-CG1 4.4Å; H150-I154 WeakPolarHBondContact O-CG1 3.29Å; H150-I154 PolarHBondContact O-N 3.48Å
151E89.5Confident90.2Very high71 Ų7194.4 Ų94.433%0.33247%0.474SS..Hα-helixtrans-47.5-52.2-176.1-179.2178.9-158.700111.8F147 N153 I154 D155F147-E151 HydrophobicContact CE1-CB 4.19Å; F147-E151 HydrophobicContact CE1-CG 3.95Å; F147-E151 HydrophobicContact CZ-CB 4.42Å; F147-E151 HydrophobicContact CZ-CG 4.08Å; F147-E151 WeakPolarHBondContact O-CB 3.41Å; F147-E151 PolarHBondContact O-N 2.99Å; E151-N153 VanDerWaalsContact C-N 3.26Å; E151-N153 PolarHBondContact O-N 2.92Å; E151-I154 PolarHBondContact O-N 3.42Å; E151-I154 VanDerWaalsContact O-N 3.08Å; E151-D155 WeakPolarHBondContact O-CB 3.36Å; E151-D155 PolarHBondContact O-N 3.35Å
152K89.6Confident90.7Very high176 Ų17689.7 Ų89.777%0.76546%0.463SS*.Hα-helixtrans-58.3-36.3179-65.7-175.1-179.8-179.40113.7H150 K156H150-K152 VanDerWaalsContact C-N 3.33Å; H150-K152 PolarHBondContact O-N 3.18Å; K152-K156 VanDerWaalsContact O-CB 3.29Å; K152-K156 WeakPolarHBondContact O-CB 3.44Å; K152-K156 PolarHBondContact O-N 3.01Å; K152-K156 VanDerWaalsContact O-N 3.13Å
153N92.9Very high91.2Very high108 Ų10891.1 Ų91.158%0.57847%0.468SS*.Hα-helixtrans-75.5-38.5179.1-64.9-30.5000110.8H150 E151 F157H150-N153 WeakPolarHBondContact O-CA 3.16Å; H150-N153 WeakPolarHBondContact O-CB 3.22Å; H150-N153 PolarHBondContact O-N 3.04Å; E151-N153 VanDerWaalsContact C-N 3.26Å; E151-N153 PolarHBondContact O-N 2.92Å; N153-F157 WeakPolarHBondContact O-CB 3.44Å; N153-F157 PolarHBondContact O-N 3.36Å
154I90Very high91.7Very high67 Ų6795.9 Ų95.934%0.34449%0.493SS..Hα-helixtrans-64.5-48.7176.2-66167.1000109.8H150 E151 K156 F157 I158H150-I154 HydrophobicContact CB-CD1 4.04Å; H150-I154 HydrophobicContact CB-CG1 4.4Å; H150-I154 WeakPolarHBondContact O-CG1 3.29Å; H150-I154 PolarHBondContact O-N 3.48Å; E151-I154 PolarHBondContact O-N 3.42Å; E151-I154 VanDerWaalsContact O-N 3.08Å; I154-K156 VanDerWaalsContact C-N 3.32Å; I154-K156 PolarHBondContact O-N 3.49Å; I154-F157 PolarHBondContact O-N 3.13Å; I154-I158 HydrophobicContact CG2-CD1 3.7Å; I154-I158 HydrophobicContact CG2-CG1 4.36Å; I154-I158 WeakPolarHBondContact O-CG1 3.3Å; I154-I158 PolarHBondContact O-N 2.8Å
155D93.5Very high92.3Very high74 Ų7493.8 Ų93.840%0.39650%0.499SS..Hα-helixtrans-60.9-43178.8-71.3-16.6000111.5E151 F157 I158 N159E151-D155 WeakPolarHBondContact O-CB 3.36Å; E151-D155 PolarHBondContact O-N 3.35Å; D155-F157 PolarHBondContact O-N 3.41Å; D155-I158 PolarHBondContact O-N 3.08Å; D155-N159 WeakPolarHBondContact O-CB 3.43Å; D155-N159 VanDerWaalsContact O-CG 3.23Å; D155-N159 PolarHBondContact O-N 2.93Å; D155-N159 PolarHBondContact O-ND2 3.47Å; D155-N159 VanDerWaalsContact O-ND2 3.08Å
156K93.9Very high92.6Very high126 Ų12692.6 Ų92.655%0.54850%0.497SS..Hα-helixtrans-59.7-47.5175.4-173.9-179.2175.6-168.50111.1K152 I154 N159 E160K152-K156 VanDerWaalsContact O-CB 3.29Å; K152-K156 WeakPolarHBondContact O-CB 3.44Å; K152-K156 PolarHBondContact O-N 3.01Å; K152-K156 VanDerWaalsContact O-N 3.13Å; I154-K156 VanDerWaalsContact C-N 3.32Å; I154-K156 PolarHBondContact O-N 3.49Å; K156-N159 PolarHBondContact O-N 3.18Å; K156-E160 WeakPolarHBondContact CE-OE1 3.47Å; K156-E160 IonicContact NZ-OE1 3.63Å; K156-E160 WeakPolarHBondContact O-CB 3.43Å; K156-E160 WeakPolarHBondContact O-CG 3.36Å; K156-E160 PolarHBondContact O-N 3.08Å
157F94.9Very high93.1Very high143 Ų14393.5 Ų93.563%0.62750%0.502SS*.Hα-helixtrans-62.6-42.1178.4177.2-98000112.5N153 I154 D155 E160 A161N153-F157 WeakPolarHBondContact O-CB 3.44Å; N153-F157 PolarHBondContact O-N 3.36Å; I154-F157 PolarHBondContact O-N 3.13Å; D155-F157 PolarHBondContact O-N 3.41Å; F157-E160 PolarHBondContact O-N 3.08Å; F157-A161 VanDerWaalsContact O-CB 3.32Å; F157-A161 WeakPolarHBondContact O-CB 3.49Å; F157-A161 PolarHBondContact O-N 3.5Å
158I94.6Very high93.6Very high93 Ų9396.9 Ų96.948%0.47752%0.517SS..Hα-helixtrans-63.3-43.9177.4-70.1170.5000110.6I154 D155 A161 S162I154-I158 HydrophobicContact CG2-CD1 3.7Å; I154-I158 HydrophobicContact CG2-CG1 4.36Å; I154-I158 WeakPolarHBondContact O-CG1 3.3Å; I154-I158 PolarHBondContact O-N 2.8Å; D155-I158 PolarHBondContact O-N 3.08Å; I158-A161 PolarHBondContact O-N 3.14Å; I158-S162 WeakPolarHBondContact O-CB 3.32Å; I158-S162 PolarHBondContact O-N 3.49Å
159N95.6Very high94Very high96 Ų9694.5 Ų94.551%0.51351%0.512SS..Hα-helixtrans-65.1-45.7178.1-70.4-32.5000111.4D155 K156 A161 S162 D163D155-N159 WeakPolarHBondContact O-CB 3.43Å; D155-N159 VanDerWaalsContact O-CG 3.23Å; D155-N159 PolarHBondContact O-N 2.93Å; D155-N159 PolarHBondContact O-ND2 3.47Å; D155-N159 VanDerWaalsContact O-ND2 3.08Å; K156-N159 PolarHBondContact O-N 3.18Å; N159-A161 VanDerWaalsContact C-N 3.33Å; N159-A161 PolarHBondContact O-N 2.81Å; N159-S162 WeakPolarHBondContact O-CB 3.49Å; N159-S162 PolarHBondContact O-N 3.43Å; N159-S162 VanDerWaalsContact O-N 3.16Å; N159-D163 WeakPolarHBondContact O-CB 3.32Å; N159-D163 VanDerWaalsContact O-CG 3.3Å; N159-D163 PolarHBondContact O-N 2.82Å
160E95.9Very high94.3Very high106 Ų10695.9 Ų95.950%0.49551%0.51SS..Hα-helixtrans-59.5-42.3175.6-74.6177.3177.800112.2K156 F157 L164K156-E160 WeakPolarHBondContact CE-OE1 3.47Å; K156-E160 IonicContact NZ-OE1 3.63Å; K156-E160 WeakPolarHBondContact O-CB 3.43Å; K156-E160 WeakPolarHBondContact O-CG 3.36Å; K156-E160 PolarHBondContact O-N 3.08Å; F157-E160 PolarHBondContact O-N 3.08Å; E160-L164 WeakPolarHBondContact O-CB 3.49Å; E160-L164 PolarHBondContact O-N 2.99Å
161A95.2Very high94.5Very high47 Ų4793.7 Ų93.739%0.38851%0.508SS..Hα-helixtrans-66.2-38.5176.200000112.3F157 I158 N159 A165F157-A161 VanDerWaalsContact O-CB 3.32Å; F157-A161 WeakPolarHBondContact O-CB 3.49Å; F157-A161 PolarHBondContact O-N 3.5Å; I158-A161 PolarHBondContact O-N 3.14Å; N159-A161 VanDerWaalsContact C-N 3.33Å; N159-A161 PolarHBondContact O-N 2.81Å; A161-A165 WeakPolarHBondContact O-CB 3.49Å; A161-A165 PolarHBondContact O-N 2.93Å
162S95.6Very high94.8Very high74 Ų7492.6 Ų92.652%0.51751%0.512SS..Hα-helixtrans-66.7-43.9176.7-178.10000111.8I158 N159 A165 G166I158-S162 WeakPolarHBondContact O-CB 3.32Å; I158-S162 PolarHBondContact O-N 3.49Å; N159-S162 WeakPolarHBondContact O-CB 3.49Å; N159-S162 PolarHBondContact O-N 3.43Å; N159-S162 VanDerWaalsContact O-N 3.16Å; S162-A165 PolarHBondContact O-N 3.27Å; S162-G166 PolarHBondContact O-N 3.36Å
163D96.1Very high95.1Very high106 Ų10691.7 Ų91.757%0.56751%0.507SS*.Hα-helixtrans-64.4-44.9178.1-70.5-18.5000110.7N159 A165 G166 D167N159-D163 WeakPolarHBondContact O-CB 3.32Å; N159-D163 VanDerWaalsContact O-CG 3.3Å; N159-D163 PolarHBondContact O-N 2.82Å; D163-A165 VanDerWaalsContact C-N 3.33Å; D163-A165 PolarHBondContact O-N 2.69Å; D163-G166 PolarHBondContact O-N 3Å; D163-G166 VanDerWaalsContact O-N 3.13Å; D163-D167 PolarHBondContact O-N 3.24Å
164L95.7Very high95.2Very high126 Ų12693.1 Ų93.166%0.6651%0.508SS*.Hα-helixtrans-59.1-43.1174.8-17669000112E160 G166 D167 F168E160-L164 WeakPolarHBondContact O-CB 3.49Å; E160-L164 PolarHBondContact O-N 2.99Å; L164-G166 VanDerWaalsContact C-N 3.34Å; L164-D167 PolarHBondContact O-N 3.48Å; L164-F168 PolarHBondContact O-N 3.44Å
165A96.1Very high95.4Very high65 Ų6597.1 Ų97.154%0.53752%0.523SS..Hα-helixtrans-65.2-38.617600000111.9A161 S162 D163 G169A161-A165 WeakPolarHBondContact O-CB 3.49Å; A161-A165 PolarHBondContact O-N 2.93Å; S162-A165 PolarHBondContact O-N 3.27Å; D163-A165 VanDerWaalsContact C-N 3.33Å; D163-A165 PolarHBondContact O-N 2.69Å; A165-G169 PolarHBondContact O-N 3.03Å
166G96Very high95.4Very high34 Ų3496.1 Ų96.135%0.35153%0.526SS..Hα-helixtrans-62.1-47174.700000112.6S162 D163 L164 G169 N170S162-G166 PolarHBondContact O-N 3.36Å; D163-G166 PolarHBondContact O-N 3Å; D163-G166 VanDerWaalsContact O-N 3.13Å; L164-G166 VanDerWaalsContact C-N 3.34Å; G166-G169 PolarHBondContact O-N 3.47Å; G166-N170 WeakPolarHBondContact O-CB 3.24Å; G166-N170 VanDerWaalsContact O-CG 3.27Å; G166-N170 PolarHBondContact O-N 3.17Å; G166-N170 PolarHBondContact O-ND2 3.07Å
167D95.9Very high95.3Very high111 Ų11193.2 Ų93.259%0.59453%0.525SS*.Hα-helixtrans-63.2-43.2177.9-78.7-13.1000112D163 L164 N170 A171D163-D167 PolarHBondContact O-N 3.24Å; L164-D167 PolarHBondContact O-N 3.48Å; D167-N170 PolarHBondContact O-N 3.19Å; D167-A171 VanDerWaalsContact O-CB 3.32Å; D167-A171 WeakPolarHBondContact O-CB 3.16Å; D167-A171 PolarHBondContact O-N 2.81Å
168F95.8Very high95.1Very high164 Ų16490.7 Ų90.772%0.71952%0.515SS*.Hα-helixtrans-62.9-43.2175.1-167.2-92.2000111.6L164 N170 A171 A172L164-F168 PolarHBondContact O-N 3.44Å; F168-N170 PolarHBondContact O-N 3.43Å; F168-A171 PolarHBondContact O-N 2.73Å; F168-A172 VanDerWaalsContact O-CB 3.31Å; F168-A172 WeakPolarHBondContact O-CB 3.38Å; F168-A172 PolarHBondContact O-N 2.91Å
169G96.2Very high94.9Very high31 Ų3189.1 Ų89.132%0.3252%0.516SS..Hα-helixtrans-61-42.2175.400000112.9A165 G166 K173A165-G169 PolarHBondContact O-N 3.03Å; G166-G169 PolarHBondContact O-N 3.47Å; G169-K173 WeakPolarHBondContact O-CG 3.4Å; G169-K173 PolarHBondContact O-N 2.76Å
170N96.3Very high94.6Very high99 Ų9988.3 Ų88.353%0.52951%0.514SS..Hα-helixtrans-69.1-41.9177.6-72.4-26.1000112.2G166 D167 F168 K173 K174G166-N170 WeakPolarHBondContact O-CB 3.24Å; G166-N170 VanDerWaalsContact O-CG 3.27Å; G166-N170 PolarHBondContact O-N 3.17Å; G166-N170 PolarHBondContact O-ND2 3.07Å; D167-N170 PolarHBondContact O-N 3.19Å; F168-N170 PolarHBondContact O-N 3.43Å; N170-K173 PolarHBondContact O-N 2.94Å; N170-K174 WeakPolarHBondContact O-CB 3.44Å; N170-K174 PolarHBondContact O-N 3.32Å
171A95.4Very high94Very high51 Ų5185.9 Ų85.942%0.42151%0.509SS..Hα-helixtrans-63.5-41.4175.100000111.9D167 F168 K174 K175D167-A171 VanDerWaalsContact O-CB 3.32Å; D167-A171 WeakPolarHBondContact O-CB 3.16Å; D167-A171 PolarHBondContact O-N 2.81Å; F168-A171 PolarHBondContact O-N 2.73Å; A171-K174 PolarHBondContact O-N 3.2Å; A171-K175 PolarHBondContact O-N 3.45Å
172A95.3Very high93.2Very high48 Ų4890.6 Ų90.640%0.39752%0.523SS..Hα-helixtrans-63.3-45.2175.300000111.7F168 K174 K175 A176F168-A172 VanDerWaalsContact O-CB 3.31Å; F168-A172 WeakPolarHBondContact O-CB 3.38Å; F168-A172 PolarHBondContact O-N 2.91Å; A172-K174 VanDerWaalsContact C-N 3.35Å; A172-K174 PolarHBondContact O-N 3.24Å; A172-K175 PolarHBondContact O-N 3.43Å; A172-A176 WeakPolarHBondContact O-CB 3.43Å; A172-A176 PolarHBondContact O-N 3.21Å
173K95.5Very high92.5Very high156 Ų15691.3 Ų91.368%0.67852%0.521SS*.Hα-helixtrans-59.7-43.4174.4-78.5179.1-178.8176.70112.2G169 N170 A176 A177G169-K173 WeakPolarHBondContact O-CG 3.4Å; G169-K173 PolarHBondContact O-N 2.76Å; N170-K173 PolarHBondContact O-N 2.94Å; K173-A176 PolarHBondContact O-N 3.36Å; K173-A177 WeakPolarHBondContact O-CB 3.48Å; K173-A177 PolarHBondContact O-N 3.48Å
174K95.1Very high91.1Very high138 Ų13893.2 Ų93.260%0.652%0.524SS*.Hα-helixtrans-62.3-48.9178.1-175.8177.8175.1-178.20111.5N170 A171 A172 A176 A177 E178N170-K174 WeakPolarHBondContact O-CB 3.44Å; N170-K174 PolarHBondContact O-N 3.32Å; A171-K174 PolarHBondContact O-N 3.2Å; A172-K174 VanDerWaalsContact C-N 3.35Å; A172-K174 PolarHBondContact O-N 3.24Å; K174-A176 VanDerWaalsContact C-N 3.33Å; K174-A176 PolarHBondContact O-N 2.82Å; K174-A177 PolarHBondContact O-N 3.31Å; K174-E178 WeakPolarHBondContact CE-OE1 3.27Å; K174-E178 WeakPolarHBondContact O-CG 3.14Å; K174-E178 PolarHBondContact O-N 3.45Å
175K94Very high89.6Confident151 Ų15192.6 Ų92.666%0.65752%0.521SS*.Hα-helixtrans-61.3-39.4176.2-77.7-174.2175.5-177.40112.7A171 A172 E178 A179A171-K175 PolarHBondContact O-N 3.45Å; A172-K175 PolarHBondContact O-N 3.43Å; K175-E178 PolarHBondContact O-N 2.94Å; K175-A179 WeakPolarHBondContact O-CB 3.11Å; K175-A179 PolarHBondContact O-N 3.16Å
176A93.7Very high87.9Confident54 Ų5492 Ų9245%0.44652%0.521SS..Hα-helixtrans-64.4-43.2175.600000111.6A172 K173 K174 E178 A179 V180A172-A176 WeakPolarHBondContact O-CB 3.43Å; A172-A176 PolarHBondContact O-N 3.21Å; K173-A176 PolarHBondContact O-N 3.36Å; K174-A176 VanDerWaalsContact C-N 3.33Å; K174-A176 PolarHBondContact O-N 2.82Å; A176-E178 VanDerWaalsContact C-N 3.32Å; A176-E178 PolarHBondContact O-N 2.79Å; A176-A179 PolarHBondContact O-N 3.24Å; A176-V180 WeakPolarHBondContact O-CB 3.35Å; A176-V180 VanDerWaalsContact O-CG2 3.25Å; A176-V180 WeakPolarHBondContact O-CG2 3.24Å; A176-V180 PolarHBondContact O-N 2.94Å
177A92.5Very high86.2Confident64 Ų6497.7 Ų97.753%0.52954%0.536SS..Hα-helixtrans-63.1-38.1175.800000112.3K173 K174 S181K173-A177 WeakPolarHBondContact O-CB 3.48Å; K173-A177 PolarHBondContact O-N 3.48Å; K174-A177 PolarHBondContact O-N 3.31Å; A177-S181 WeakPolarHBondContact O-CB 3.34Å; A177-S181 PolarHBondContact O-N 3.37Å; A177-S181 PolarHBondContact O-OG 3.02Å
178E90.9Very high84.3Confident91 Ų91103 Ų10343%0.42555%0.548SS..Hα-helixtrans-66.8-42.6174.6-72.1169.1-178.800112.4K174 K175 A176 S181 Q182K174-E178 WeakPolarHBondContact CE-OE1 3.27Å; K174-E178 WeakPolarHBondContact O-CG 3.14Å; K174-E178 PolarHBondContact O-N 3.45Å; K175-E178 PolarHBondContact O-N 2.94Å; A176-E178 VanDerWaalsContact C-N 3.32Å; A176-E178 PolarHBondContact O-N 2.79Å; E178-S181 PolarHBondContact O-N 3.32Å; E178-S181 PolarHBondContact O-OG 2.88Å; E178-Q182 WeakPolarHBondContact O-CB 3.34Å; E178-Q182 WeakPolarHBondContact O-CG 3.29Å; E178-Q182 PolarHBondContact O-N 3.31Å
179A90.1Very high82.1Confident59 Ų59104.8 Ų104.849%0.48857%0.565SS.*Hα-helixtrans-66.2-40.117700000112K175 A176 Q182 D183K175-A179 WeakPolarHBondContact O-CB 3.11Å; K175-A179 PolarHBondContact O-N 3.16Å; A176-A179 PolarHBondContact O-N 3.24Å; A179-Q182 PolarHBondContact O-N 2.88Å; A179-D183 PolarHBondContact O-N 3.27Å
180V89.2Confident81.4Confident80 Ų80108.5 Ų108.549%0.48558%0.577SS.*Hα-helixtrans-64.6-44.8175.3171.10000110.5A176 Q182 D183 F184A176-V180 WeakPolarHBondContact O-CB 3.35Å; A176-V180 VanDerWaalsContact O-CG2 3.25Å; A176-V180 WeakPolarHBondContact O-CG2 3.24Å; A176-V180 PolarHBondContact O-N 2.94Å; V180-Q182 VanDerWaalsContact C-N 3.32Å; V180-Q182 PolarHBondContact O-N 3.43Å; V180-D183 PolarHBondContact O-N 3.44Å; V180-F184 HydrophobicContact CG1-CD2 3.62Å; V180-F184 HydrophobicContact CG1-CE2 3.4Å; V180-F184 VanDerWaalsContact CG1-CE2 3.4Å; V180-F184 WeakPolarHBondContact O-CD2 3.46Å; V180-F184 PolarHBondContact O-N 2.91Å
181S84.2Confident80.6Confident55 Ų55109 Ų10939%0.38558%0.58SS.*Hα-helixtrans-65.2-35.5177.9690000112.4A177 E178 F184 I185A177-S181 WeakPolarHBondContact O-CB 3.34Å; A177-S181 PolarHBondContact O-N 3.37Å; A177-S181 PolarHBondContact O-OG 3.02Å; E178-S181 PolarHBondContact O-N 3.32Å; E178-S181 PolarHBondContact O-OG 2.88Å; S181-F184 PolarHBondContact O-N 2.98Å; S181-I185 WeakPolarHBondContact O-CG1 3.36Å; S181-I185 PolarHBondContact O-N 2.96Å
182Q77.5Confident79.8Confident146 Ų146112.2 Ų112.268%0.68259%0.589SS**Hα-helixtrans-66.2-40.3173.4-75.5-174.4-7.600113.2E178 A179 V180 F184 I185 G186E178-Q182 WeakPolarHBondContact O-CB 3.34Å; E178-Q182 WeakPolarHBondContact O-CG 3.29Å; E178-Q182 PolarHBondContact O-N 3.31Å; A179-Q182 PolarHBondContact O-N 2.88Å; V180-Q182 VanDerWaalsContact C-N 3.32Å; V180-Q182 PolarHBondContact O-N 3.43Å; Q182-F184 VanDerWaalsContact C-N 3.31Å; Q182-F184 PolarHBondContact O-N 3.21Å; Q182-I185 PolarHBondContact O-N 3.22Å; Q182-G186 PolarHBondContact O-N 2.88Å
183D80.4Confident78.9Confident89 Ų89116 Ų11648%0.47660%0.6SS.*Hα-helixtrans-63.8-38173.7-169.169.8000111.6A179 V180 K187A179-D183 PolarHBondContact O-N 3.27Å; V180-D183 PolarHBondContact O-N 3.44Å; D183-K187 PolarHBondContact O-N 3.42Å; D183-K187 IonicContact OD1-NZ 3.11Å; D183-K187 IonicContact OD2-NZ 3.31Å; D183-K187 PolarHBondContact OD2-NZ 3.05Å
184F67.9Low77.9Confident145 Ų145113.5 Ų113.564%0.63660%0.595SS**Hα-helixtrans-69.2-34.1176-80.6-65.2000113.5V180 S181 Q182V180-F184 HydrophobicContact CG1-CD2 3.62Å; V180-F184 HydrophobicContact CG1-CE2 3.4Å; V180-F184 VanDerWaalsContact CG1-CE2 3.4Å; V180-F184 WeakPolarHBondContact O-CD2 3.46Å; V180-F184 PolarHBondContact O-N 2.91Å; S181-F184 PolarHBondContact O-N 2.98Å; Q182-F184 VanDerWaalsContact C-N 3.31Å; Q182-F184 PolarHBondContact O-N 3.21Å
185I62.6Low76.7Confident114 Ų114111.9 Ų111.959%0.58560%0.595SS**Hα-helixtrans-75.4-43.2175.6-68.1173.4000110.5S181 Q182 K187 R188S181-I185 WeakPolarHBondContact O-CG1 3.36Å; S181-I185 PolarHBondContact O-N 2.96Å; Q182-I185 PolarHBondContact O-N 3.22Å; I185-K187 PolarHBondContact O-N 3.09Å; I185-R188 PolarHBondContact O-N 2.79Å
186G62Low75.5Confident53 Ų53109.1 Ų109.155%0.54659%0.59SS.*Hα-helixtrans-66-17.1-17900000115.1Q182Q182-G186 PolarHBondContact O-N 2.88Å
187K58.7Low74.1Confident152 Ų152113.3 Ų113.366%0.66160%0.601SS**THydrogen-bonded Turntrans-88.5-4.6171.6-80.3177.4-177.1142.60114.4D183 I185D183-K187 PolarHBondContact O-N 3.42Å; D183-K187 IonicContact OD1-NZ 3.11Å; D183-K187 IonicContact OD2-NZ 3.31Å; D183-K187 PolarHBondContact OD2-NZ 3.05Å; I185-K187 PolarHBondContact O-N 3.09Å
188R56.1Low72.6Confident223 Ų223117.4 Ų117.484%0.84261%0.608SS**THydrogen-bonded Turntrans-94.1-14.8-178.1-159.1-176.2-80.3-172.7-3.7113.3I185I185-R188 PolarHBondContact O-N 2.79Å
189D51.2Low70.9Confident202 Ų202119.8 Ų119.8100%1.0862%0.624SS**  trans-910171.1-62.2-26000111

Retrieved 189 of 189 residues in 305.6 ms (Link to these results)