A0A067ZXP1_HUMAN Loading...

Nuclear pore complex-interacting protein

AlphaFold DB , UniProt , Accession A0A067ZXP1, Species HUMAN (Homo sapiens, Human), Gene NPIP, Length 221 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
1C53.7Low65.7Low136 Ų136130.5 Ų130.592%0.91965%0.652SS**  0128.50-66.60000110.2C3 E4C1-C3 PolarHBondContact O-N 3.44Å; C1-E4 PolarHBondContact O-N 3.07Å; C1-E4 VanDerWaalsContact O-N 3.1Å
2P55.3Low65.3Low107 Ų107126.4 Ų126.470%0.69564%0.639SS**Hα-helixtrans-59.1-20.3-176.921.8-31.6000113.9E4 L6P2-E4 VanDerWaalsContact C-N 3.34Å; P2-E4 PolarHBondContact O-N 3.44Å; P2-L6 PolarHBondContact O-N 3.46Å
3C58.5Low64.7Low96 Ų96123.1 Ų123.165%0.64962%0.623SS**Hα-helixtrans-67-29.1176.7-52.80000114C1 R7C1-C3 PolarHBondContact O-N 3.44Å; C3-R7 PolarHBondContact O-N 3.36Å; C3-R7 VanDerWaalsContact O-N 3.17Å
4E68.3Low64.3Low141 Ų141117.9 Ų117.966%0.65961%0.608SS**Hα-helixtrans-77.1-34.7-176.9-140.9-169.4164.700111.8C1 P2 R7 K8C1-E4 PolarHBondContact O-N 3.07Å; C1-E4 VanDerWaalsContact O-N 3.1Å; P2-E4 VanDerWaalsContact C-N 3.34Å; P2-E4 PolarHBondContact O-N 3.44Å; E4-R7 PolarHBondContact O-N 3.4Å; E4-K8 PolarHBondContact O-N 3.09Å; E4-K8 VanDerWaalsContact O-N 3.11Å
5Y63.3Low63.7Low187 Ų187117.6 Ų117.673%0.73361%0.608SS**Hα-helixtrans-69.9-42.1176.6-156-91.7000111.5R7 K8 F9Y5-R7 VanDerWaalsContact C-N 3.33Å; Y5-R7 PolarHBondContact O-N 3.06Å; Y5-K8 PolarHBondContact O-N 3.5Å; Y5-F9 WeakPolarHBondContact O-CB 3.25Å; Y5-F9 PolarHBondContact O-N 2.93Å
6L67.2Low63Low106 Ų106118.8 Ų118.856%0.55561%0.61SS**Hα-helixtrans-61.1-40.2173.5-102.8148.1000112.2P2 F9 I10P2-L6 PolarHBondContact O-N 3.46Å; L6-F9 PolarHBondContact O-N 3.26Å; L6-I10 HydrophobicContact CD2-CD1 4.33Å; L6-I10 WeakPolarHBondContact O-CB 3.32Å; L6-I10 WeakPolarHBondContact O-CD1 3.44Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.44Å
7R72Confident62.4Low185 Ų185121 Ų12170%0.69862%0.617SS**Hα-helixtrans-67.7-40.4178.5-156.3178.2-143.6-168.95.3112.4C3 E4 Y5 N11C3-R7 PolarHBondContact O-N 3.36Å; C3-R7 VanDerWaalsContact O-N 3.17Å; E4-R7 PolarHBondContact O-N 3.4Å; Y5-R7 VanDerWaalsContact C-N 3.33Å; Y5-R7 PolarHBondContact O-N 3.06Å; R7-N11 WeakPolarHBondContact O-CB 3.37Å; R7-N11 PolarHBondContact O-N 3.07Å; R7-N11 PolarHBondContact O-ND2 3.49Å
8K73.9Confident61.5Low149 Ų149123.7 Ų123.765%0.64863%0.626SS**Hα-helixtrans-61.1-47.6171.7-96.6176.5175.8171.60111E4 Y5 I10 N11 T12E4-K8 PolarHBondContact O-N 3.09Å; E4-K8 VanDerWaalsContact O-N 3.11Å; Y5-K8 PolarHBondContact O-N 3.5Å; K8-I10 PolarHBondContact O-N 2.99Å; K8-N11 PolarHBondContact O-N 3.15Å; K8-T12 PolarHBondContact O-N 3.47Å; K8-T12 PolarHBondContact O-OG1 3.38Å
9F73.2Confident60.8Low126 Ų126128.3 Ų128.355%0.55364%0.635SS**Hα-helixtrans-61.2-44.4-179.6-165.7-101.1000112.5Y5 L6 N11 T12 L13Y5-F9 WeakPolarHBondContact O-CB 3.25Å; Y5-F9 PolarHBondContact O-N 2.93Å; L6-F9 PolarHBondContact O-N 3.26Å; F9-N11 PolarHBondContact O-N 3.39Å; F9-T12 PolarHBondContact O-N 3.26Å; F9-L13 HydrophobicContact CD1-CD1 3.89Å; F9-L13 HydrophobicContact CE1-CD1 3.36Å; F9-L13 HydrophobicContact CZ-CD1 3.76Å; F9-L13 WeakPolarHBondContact O-CB 3.32Å; F9-L13 PolarHBondContact O-N 3.09Å
10I72.4Confident60Low101 Ų101124.2 Ų124.252%0.51863%0.627SS.*Hα-helixtrans-64-40.9177-67.3164.6000111.1L6 K8 L13 A14L6-I10 HydrophobicContact CD2-CD1 4.33Å; L6-I10 WeakPolarHBondContact O-CB 3.32Å; L6-I10 WeakPolarHBondContact O-CD1 3.44Å; L6-I10 WeakPolarHBondContact O-CG1 3.44Å; L6-I10 PolarHBondContact O-N 3.44Å; K8-I10 PolarHBondContact O-N 2.99Å; I10-L13 PolarHBondContact O-N 2.91Å; I10-A14 WeakPolarHBondContact O-CB 3.47Å; I10-A14 PolarHBondContact O-N 3.47Å
11N65.4Low59.5Low102 Ų102124.5 Ų124.555%0.54564%0.636SS.*Hα-helixtrans-68.3-37.7178-72.4-14.1000112.2R7 K8 F9 L13 A14 D15R7-N11 WeakPolarHBondContact O-CB 3.37Å; R7-N11 PolarHBondContact O-N 3.07Å; R7-N11 PolarHBondContact O-ND2 3.49Å; K8-N11 PolarHBondContact O-N 3.15Å; F9-N11 PolarHBondContact O-N 3.39Å; N11-L13 VanDerWaalsContact C-N 3.35Å; N11-A14 PolarHBondContact O-N 3.45Å; N11-D15 WeakPolarHBondContact O-CB 3.4Å; N11-D15 PolarHBondContact O-N 3.47Å
12T60.6Low59.2Low81 Ų81125.2 Ų125.250%0.49763%0.63SS.*Hα-helixtrans-67.7-36.2173.6-43.90000111.6K8 F9 D15 H16K8-T12 PolarHBondContact O-N 3.47Å; K8-T12 PolarHBondContact O-OG1 3.38Å; F9-T12 PolarHBondContact O-N 3.26Å; T12-D15 PolarHBondContact O-N 2.91Å; T12-H16 PolarHBondContact O-N 3.07Å; T12-H16 VanDerWaalsContact O-N 3.09Å
13L57.9Low58.8Low83 Ų83130.3 Ų130.344%0.43564%0.642SS.*Hα-helixtrans-68.7-39175.5-127.4112.9000112.2F9 I10 N11 H16 H17F9-L13 HydrophobicContact CD1-CD1 3.89Å; F9-L13 HydrophobicContact CE1-CD1 3.36Å; F9-L13 HydrophobicContact CZ-CD1 3.76Å; F9-L13 WeakPolarHBondContact O-CB 3.32Å; F9-L13 PolarHBondContact O-N 3.09Å; I10-L13 PolarHBondContact O-N 2.91Å; N11-L13 VanDerWaalsContact C-N 3.35Å; L13-H16 PolarHBondContact O-N 2.99Å; L13-H17 PolarHBondContact O-N 3.4Å
14A59Low58.3Low50 Ų50127.9 Ų127.941%0.41363%0.633SS.*Hα-helixtrans-66.1-38.4176.100000111.9I10 N11 H17 H18I10-A14 WeakPolarHBondContact O-CB 3.47Å; I10-A14 PolarHBondContact O-N 3.47Å; N11-A14 PolarHBondContact O-N 3.45Å; A14-H17 PolarHBondContact O-N 3.42Å; A14-H18 PolarHBondContact O-N 3.17Å; A14-H18 VanDerWaalsContact O-N 3.13Å
15D54.3Low57Low114 Ų114123.1 Ų123.161%0.6162%0.622SS**Hα-helixtrans-66.5-36.3175.2-164.861000112N11 T12 H18N11-D15 WeakPolarHBondContact O-CB 3.4Å; N11-D15 PolarHBondContact O-N 3.47Å; T12-D15 PolarHBondContact O-N 2.91Å; D15-H18 PolarHBondContact O-N 2.91Å
16H53.8Low56.7Low136 Ų136118.5 Ų118.563%0.6362%0.617SS**Hα-helixtrans-71.8-28.7172.4-84.126.5000114.1T12 L13T12-H16 PolarHBondContact O-N 3.07Å; T12-H16 VanDerWaalsContact O-N 3.09Å; L13-H16 PolarHBondContact O-N 2.99Å
17H51.5Low56.3Low157 Ų157118 Ų11873%0.72762%0.62SS**Hα-helixtrans-80-17.2175.6-99.6-83.9000113.8L13 A14L13-H17 PolarHBondContact O-N 3.4Å; A14-H17 PolarHBondContact O-N 3.42Å
18H46.1Very low55.5Low170 Ų170117.9 Ų117.979%0.78762%0.62SS**Hα-helixtrans-89.7-13.4176.9-108.5-59.5000114.4A14 D15 G20A14-H18 PolarHBondContact O-N 3.17Å; A14-H18 VanDerWaalsContact O-N 3.13Å; D15-H18 PolarHBondContact O-N 2.91Å; H18-G20 VanDerWaalsContact C-N 3.27Å; H18-G20 PolarHBondContact O-N 3.39Å
19R48.2Very low54.9Low210 Ų210115.8 Ų115.879%0.79262%0.615SS**SBendtrans-73.791.7161.4-91.5-177.1163.5178.5-3.4107.8T21R19-T21 PolarHBondContact O-N 2.81Å
20G45.5Very low54.3Low46 Ų46116.2 Ų116.247%0.47462%0.618SS.*  trans-37.3134.4172.300000110.7H18 D22H18-G20 VanDerWaalsContact C-N 3.27Å; H18-G20 PolarHBondContact O-N 3.39Å; G20-D22 PolarHBondContact O-N 3.17Å
21T49.7Very low53.9Low132 Ų132115.4 Ų115.481%0.8162%0.618SS**  trans-55.779.7168.243.60000110.1R19 F23R19-T21 PolarHBondContact O-N 2.81Å; T21-F23 PolarHBondContact O-N 3.06Å
22D47.5Very low53.7Low150 Ų150114.5 Ų114.580%0.80261%0.612SS**  trans-82.818.2175.6-70.7-25000111.8G20 G24G20-D22 PolarHBondContact O-N 3.17Å; D22-G24 PolarHBondContact O-N 3.34Å; D22-G24 VanDerWaalsContact O-N 3.14Å
23F46.2Very low53.7Low214 Ų214114.5 Ų114.594%0.93961%0.613SS**THydrogen-bonded Turntrans-75.717.3164.4-78.2-78.5000112.9T21T21-F23 PolarHBondContact O-N 3.06Å
24G49.1Very low53.8Low45 Ų45112.9 Ų112.946%0.46461%0.611SS.*THydrogen-bonded Turntrans-133.331.5-178.200000113.2D22 S26D22-G24 PolarHBondContact O-N 3.34Å; D22-G24 VanDerWaalsContact O-N 3.14Å; G24-S26 PolarHBondContact O-N 3.3Å
25G41.2Very low53.8Low42 Ų42118 Ų11843%0.43362%0.624SS.*  trans-51.7139.7173.500000111.3P27 W28G25-P27 WeakPolarHBondContact O-CD 3.17Å; G25-W28 PolarHBondContact O-N 3.3Å
26S55.8Low54.1Low89 Ų89115.5 Ų115.562%0.62261%0.614SS**Hα-helixtrans-28.9-37174.3-88.90000117.3G24 W28 H30G24-S26 PolarHBondContact O-N 3.3Å; S26-W28 PolarHBondContact O-N 3Å; S26-H30 PolarHBondContact O-CD2 3.47Å; S26-H30 PolarHBondContact O-N 3.41Å
27P58.8Low54.5Low96 Ų96113.2 Ų113.262%0.62361%0.61SS**Hα-helixtrans-60.3-37.1178.3-26.836.7000114.9G25 H30 V31G25-P27 WeakPolarHBondContact O-CD 3.17Å; P27-H30 WeakPolarHBondContact O-CB 3.37Å; P27-H30 PolarHBondContact O-N 3.08Å; P27-V31 WeakPolarHBondContact O-CG2 3.06Å; P27-V31 PolarHBondContact O-N 3.33Å
28W56.3Low55.3Low182 Ų182109.2 Ų109.269%0.68960%0.6SS**Hα-helixtrans-75.6-35.3-174.2-140.573.1000112.1G25 S26 H30 V31 I32G25-W28 PolarHBondContact O-N 3.3Å; S26-W28 PolarHBondContact O-N 3Å; W28-H30 VanDerWaalsContact C-N 3.34Å; W28-V31 PolarHBondContact O-N 3Å; W28-I32 HydrophobicContact CD2-CD1 4.16Å; W28-I32 HydrophobicContact CE3-CD1 3.24Å; W28-I32 HydrophobicContact CE3-CG1 4.01Å; W28-I32 HydrophobicContact CH2-CD1 4.49Å; W28-I32 HydrophobicContact CZ3-CD1 3.45Å; W28-I32 VanDerWaalsContact CZ3-CD1 3.45Å; W28-I32 HydrophobicContact CZ3-CG1 4.15Å; W28-I32 VanDerWaalsContact O-CG1 3.29Å; W28-I32 WeakPolarHBondContact O-CG1 3.37Å; W28-I32 PolarHBondContact O-N 3.43Å
29L60.5Low56.7Low106 Ų106108.4 Ų108.456%0.55559%0.591SS**Hα-helixtrans-65.8-36.4171.4-72.1170.7000112V31 I32 T33L29-V31 VanDerWaalsContact C-N 3.35Å; L29-I32 PolarHBondContact O-N 3.31Å; L29-T33 WeakPolarHBondContact O-CB 3.43Å; L29-T33 WeakPolarHBondContact O-CG2 3.12Å; L29-T33 PolarHBondContact O-N 3.13Å; L29-T33 PolarHBondContact O-OG1 2.89Å
30H61.3Low58.1Low134 Ų134105.3 Ų105.362%0.6258%0.583SS**Hα-helixtrans-62.5-40.7170.5-92.7-72.1000112S26 P27 W28 T33 A34S26-H30 PolarHBondContact O-CD2 3.47Å; S26-H30 PolarHBondContact O-N 3.41Å; P27-H30 WeakPolarHBondContact O-CB 3.37Å; P27-H30 PolarHBondContact O-N 3.08Å; W28-H30 VanDerWaalsContact C-N 3.34Å; H30-T33 PolarHBondContact O-N 3.49Å; H30-T33 PolarHBondContact O-OG1 3.5Å; H30-A34 WeakPolarHBondContact O-CB 3.25Å; H30-A34 PolarHBondContact O-N 3.3Å
31V62.2Low59.6Low84 Ų84106.9 Ų106.951%0.50958%0.583SS.*Hα-helixtrans-65.2-46.6175.1174.90000110.9P27 W28 L29 T33 A34 F35P27-V31 WeakPolarHBondContact O-CG2 3.06Å; P27-V31 PolarHBondContact O-N 3.33Å; W28-V31 PolarHBondContact O-N 3Å; L29-V31 VanDerWaalsContact C-N 3.35Å; V31-T33 VanDerWaalsContact C-N 3.29Å; V31-T33 PolarHBondContact O-N 2.91Å; V31-A34 PolarHBondContact O-N 3.49Å; V31-F35 VanDerWaalsContact O-CB 3.28Å; V31-F35 WeakPolarHBondContact O-CB 3.19Å; V31-F35 PolarHBondContact O-N 2.6Å
32I62.5Low61.1Low83 Ų83105 Ų10543%0.42657%0.571SS.*Hα-helixtrans-63.7-31.4179-65.1160.1000112.5W28 L29 P36W28-I32 HydrophobicContact CD2-CD1 4.16Å; W28-I32 HydrophobicContact CE3-CD1 3.24Å; W28-I32 HydrophobicContact CE3-CG1 4.01Å; W28-I32 HydrophobicContact CH2-CD1 4.49Å; W28-I32 HydrophobicContact CZ3-CD1 3.45Å; W28-I32 VanDerWaalsContact CZ3-CD1 3.45Å; W28-I32 HydrophobicContact CZ3-CG1 4.15Å; W28-I32 VanDerWaalsContact O-CG1 3.29Å; W28-I32 WeakPolarHBondContact O-CG1 3.37Å; W28-I32 PolarHBondContact O-N 3.43Å; L29-I32 PolarHBondContact O-N 3.31Å; I32-P36 WeakPolarHBondContact O-CD 3.46Å; I32-P36 WeakPolarHBondContact O-CG 3.29Å
33T61.1Low62.9Low82 Ų82100.3 Ų100.350%0.50355%0.546SS..Hα-helixtrans-89.9-32.2179.953.20000113.4L29 H30 V31 P36 T37L29-T33 WeakPolarHBondContact O-CB 3.43Å; L29-T33 WeakPolarHBondContact O-CG2 3.12Å; L29-T33 PolarHBondContact O-N 3.13Å; L29-T33 PolarHBondContact O-OG1 2.89Å; H30-T33 PolarHBondContact O-N 3.49Å; H30-T33 PolarHBondContact O-OG1 3.5Å; V31-T33 VanDerWaalsContact C-N 3.29Å; V31-T33 PolarHBondContact O-N 2.91Å; T33-P36 WeakPolarHBondContact O-CD 3.26Å; T33-T37 PolarHBondContact O-OG1 2.91Å
34A58.5Low64.5Low49 Ų4994 Ų9441%0.40553%0.525SS..Hα-helixtrans-73.6-38.5177.100000112H30 V31 T37 S38H30-A34 WeakPolarHBondContact O-CB 3.25Å; H30-A34 PolarHBondContact O-N 3.3Å; V31-A34 PolarHBondContact O-N 3.49Å; A34-T37 PolarHBondContact O-N 3.46Å; A34-S38 PolarHBondContact O-N 3.5Å; A34-S38 PolarHBondContact O-OG 3.44Å
35F58.6Low66.2Low158 Ų15897.3 Ų97.369%0.69353%0.531SS*.Hα-helixtrans-62-45.5-176.3-146.8-93.3000113.8V31 T37 Y39V31-F35 VanDerWaalsContact O-CB 3.28Å; V31-F35 WeakPolarHBondContact O-CB 3.19Å; V31-F35 PolarHBondContact O-N 2.6Å; F35-T37 VanDerWaalsContact C-N 3.31Å; F35-T37 PolarHBondContact O-N 3.24Å; F35-Y39 WeakPolarHBondContact O-CB 3.32Å; F35-Y39 PolarHBondContact O-N 3.33Å
36P62.2Low68.4Low61 Ų61103.3 Ų103.340%0.39654%0.541SS..Hα-helixtrans-67.7-32.2175.3-18.231.2000112.5I32 T33 K40I32-P36 WeakPolarHBondContact O-CD 3.46Å; I32-P36 WeakPolarHBondContact O-CG 3.29Å; T33-P36 WeakPolarHBondContact O-CD 3.26Å; P36-K40 WeakPolarHBondContact O-CB 3.44Å; P36-K40 VanDerWaalsContact O-CG 3.24Å; P36-K40 WeakPolarHBondContact O-CG 3.38Å; P36-K40 PolarHBondContact O-N 2.92Å
37T61.2Low70Confident88 Ų88102.7 Ų102.754%0.5453%0.53SS..Hα-helixtrans-69.3-46.6178.8-54.40000110.2T33 A34 F35 K40 V41T33-T37 PolarHBondContact O-OG1 2.91Å; A34-T37 PolarHBondContact O-N 3.46Å; F35-T37 VanDerWaalsContact C-N 3.31Å; F35-T37 PolarHBondContact O-N 3.24Å; T37-K40 PolarHBondContact O-N 3.02Å; T37-V41 VanDerWaalsContact O-CG2 3.3Å; T37-V41 WeakPolarHBondContact O-CG2 3.3Å; T37-V41 PolarHBondContact O-N 2.88Å
38S68.3Low71.4Confident73 Ų73102 Ų10251%0.5152%0.524SS..Hα-helixtrans-62.1-43.9174.5-61.80000112.1A34 K40 V41 V42A34-S38 PolarHBondContact O-N 3.5Å; A34-S38 PolarHBondContact O-OG 3.44Å; S38-K40 PolarHBondContact O-N 2.83Å; S38-V41 PolarHBondContact O-N 2.98Å; S38-V42 WeakPolarHBondContact O-CG2 3.48Å; S38-V42 PolarHBondContact O-N 2.93Å
39Y76.8Confident72.9Confident153 Ų153101.1 Ų101.160%0.652%0.521SS*.Hα-helixtrans-63.2-41.9177.7-179.7-114.5000112.4F35 V41 V42 I43F35-Y39 WeakPolarHBondContact O-CB 3.32Å; F35-Y39 PolarHBondContact O-N 3.33Å; Y39-V41 VanDerWaalsContact C-N 3.32Å; Y39-V41 PolarHBondContact O-N 3.33Å; Y39-V42 PolarHBondContact O-N 2.84Å; Y39-I43 HydrophobicContact CD1-CD1 3.45Å; Y39-I43 VanDerWaalsContact CD1-CD1 3.45Å; Y39-I43 HydrophobicContact CD1-CG1 4.36Å; Y39-I43 HydrophobicContact CD2-CD1 4.19Å; Y39-I43 HydrophobicContact CD2-CG1 4.27Å; Y39-I43 HydrophobicContact CE1-CD1 3.04Å; Y39-I43 HydrophobicContact CE1-CG1 4.03Å; Y39-I43 HydrophobicContact CE2-CD1 3.84Å; Y39-I43 HydrophobicContact CE2-CG1 3.9Å; Y39-I43 HydrophobicContact CG-CD1 4.01Å; Y39-I43 HydrophobicContact CG-CG1 4.48Å; Y39-I43 VanDerWaalsContact O-CG1 3.27Å; Y39-I43 WeakPolarHBondContact O-CG1 3.38Å; Y39-I43 PolarHBondContact O-N 3.45Å
40K76.9Confident74.2Confident144 Ų144100.6 Ų100.663%0.62652%0.519SS*.Hα-helixtrans-61.2-40.2174.4-78177.6178.8178.90112.2P36 T37 S38 T44P36-K40 WeakPolarHBondContact O-CB 3.44Å; P36-K40 VanDerWaalsContact O-CG 3.24Å; P36-K40 WeakPolarHBondContact O-CG 3.38Å; P36-K40 PolarHBondContact O-N 2.92Å; T37-K40 PolarHBondContact O-N 3.02Å; S38-K40 PolarHBondContact O-N 2.83Å; K40-T44 VanDerWaalsContact O-CB 3.32Å; K40-T44 WeakPolarHBondContact O-CB 3.4Å; K40-T44 PolarHBondContact O-N 3.4Å; K40-T44 PolarHBondContact O-OG1 2.97Å
41V77.4Confident75.4Confident79 Ų79101.4 Ų101.448%0.47952%0.516SS..Hα-helixtrans-65.5-46.6176.6172.50000110.7T37 S38 Y39 I43 T44 L45T37-V41 VanDerWaalsContact O-CG2 3.3Å; T37-V41 WeakPolarHBondContact O-CG2 3.3Å; T37-V41 PolarHBondContact O-N 2.88Å; S38-V41 PolarHBondContact O-N 2.98Å; Y39-V41 VanDerWaalsContact C-N 3.32Å; Y39-V41 PolarHBondContact O-N 3.33Å; V41-I43 PolarHBondContact O-N 2.9Å; V41-T44 PolarHBondContact O-N 3.01Å; V41-L45 HydrophobicContact CG1-CD1 3.89Å; V41-L45 HydrophobicContact CG1-CG 4.37Å; V41-L45 WeakPolarHBondContact O-CB 3.44Å; V41-L45 WeakPolarHBondContact O-CG 3.43Å; V41-L45 PolarHBondContact O-N 2.99Å
42V81.1Confident76.4Confident92 Ų92101.4 Ų101.456%0.55852%0.516SS*.Hα-helixtrans-62.2-45.1178.7173.20000111.6S38 Y39 T44 L45 W46S38-V42 WeakPolarHBondContact O-CG2 3.48Å; S38-V42 PolarHBondContact O-N 2.93Å; Y39-V42 PolarHBondContact O-N 2.84Å; V42-T44 VanDerWaalsContact C-N 3.33Å; V42-T44 PolarHBondContact O-N 3.48Å; V42-L45 PolarHBondContact O-N 3.38Å; V42-W46 WeakPolarHBondContact O-CB 3.24Å; V42-W46 PolarHBondContact O-N 2.97Å
43I84.1Confident77.3Confident53 Ų5399.5 Ų99.527%0.27251%0.511SS..Hα-helixtrans-60.5-45.3174.9-66.9162.5000110.7Y39 V41 L45 W46 I47Y39-I43 HydrophobicContact CD1-CD1 3.45Å; Y39-I43 VanDerWaalsContact CD1-CD1 3.45Å; Y39-I43 HydrophobicContact CD1-CG1 4.36Å; Y39-I43 HydrophobicContact CD2-CD1 4.19Å; Y39-I43 HydrophobicContact CD2-CG1 4.27Å; Y39-I43 HydrophobicContact CE1-CD1 3.04Å; Y39-I43 HydrophobicContact CE1-CG1 4.03Å; Y39-I43 HydrophobicContact CE2-CD1 3.84Å; Y39-I43 HydrophobicContact CE2-CG1 3.9Å; Y39-I43 HydrophobicContact CG-CD1 4.01Å; Y39-I43 HydrophobicContact CG-CG1 4.48Å; Y39-I43 VanDerWaalsContact O-CG1 3.27Å; Y39-I43 WeakPolarHBondContact O-CG1 3.38Å; Y39-I43 PolarHBondContact O-N 3.45Å; V41-I43 PolarHBondContact O-N 2.9Å; I43-L45 VanDerWaalsContact C-N 3.33Å; I43-L45 PolarHBondContact O-N 2.78Å; I43-W46 PolarHBondContact O-N 3.18Å; I43-I47 HydrophobicContact CG2-CD1 3.57Å; I43-I47 HydrophobicContact CG2-CG1 4.15Å; I43-I47 WeakPolarHBondContact O-CB 3.47Å; I43-I47 VanDerWaalsContact O-CG1 3.26Å; I43-I47 WeakPolarHBondContact O-CG1 3.28Å; I43-I47 PolarHBondContact O-N 3.33Å
44T81.6Confident78.2Confident82 Ų8299.8 Ų99.850%0.50351%0.508SS..Hα-helixtrans-63.2-43.4-178.2-56.80000110.7K40 V41 V42 I47 V48K40-T44 VanDerWaalsContact O-CB 3.32Å; K40-T44 WeakPolarHBondContact O-CB 3.4Å; K40-T44 PolarHBondContact O-N 3.4Å; K40-T44 PolarHBondContact O-OG1 2.97Å; V41-T44 PolarHBondContact O-N 3.01Å; V42-T44 VanDerWaalsContact C-N 3.33Å; V42-T44 PolarHBondContact O-N 3.48Å; T44-I47 PolarHBondContact O-N 3.27Å; T44-V48 VanDerWaalsContact O-CG2 3.29Å; T44-V48 WeakPolarHBondContact O-CG2 3.41Å; T44-V48 PolarHBondContact O-N 3.18Å
45L83.6Confident79.3Confident113 Ų113102.3 Ų102.359%0.59251%0.514SS*.Hα-helixtrans-62.6-42.6174.6-71.7172.2000111.9V41 V42 I43 V48 Y49V41-L45 HydrophobicContact CG1-CD1 3.89Å; V41-L45 HydrophobicContact CG1-CG 4.37Å; V41-L45 WeakPolarHBondContact O-CB 3.44Å; V41-L45 WeakPolarHBondContact O-CG 3.43Å; V41-L45 PolarHBondContact O-N 2.99Å; V42-L45 PolarHBondContact O-N 3.38Å; I43-L45 VanDerWaalsContact C-N 3.33Å; I43-L45 PolarHBondContact O-N 2.78Å; L45-V48 PolarHBondContact O-N 2.93Å; L45-Y49 VanDerWaalsContact O-CB 3.26Å; L45-Y49 WeakPolarHBondContact O-CB 3.21Å; L45-Y49 PolarHBondContact O-N 3.24Å
46W87.3Confident80Confident168 Ų168102.1 Ų102.164%0.63651%0.514SS*.Hα-helixtrans-64-41.5177.4-172.168.5000112.1V42 I43 Y49 L50V42-W46 WeakPolarHBondContact O-CB 3.24Å; V42-W46 PolarHBondContact O-N 2.97Å; I43-W46 PolarHBondContact O-N 3.18Å; W46-Y49 PolarHBondContact O-N 3.34Å; W46-L50 WeakPolarHBondContact O-CB 3.36Å; W46-L50 PolarHBondContact O-N 2.95Å
47I88.7Confident80.4Confident77 Ų77103.5 Ų103.540%0.39552%0.521SS..Hα-helixtrans-61.9-51.5174.6-71.1171.6000110I43 T44 Y49 L50 W51I43-I47 HydrophobicContact CG2-CD1 3.57Å; I43-I47 HydrophobicContact CG2-CG1 4.15Å; I43-I47 WeakPolarHBondContact O-CB 3.47Å; I43-I47 VanDerWaalsContact O-CG1 3.26Å; I43-I47 WeakPolarHBondContact O-CG1 3.28Å; I43-I47 PolarHBondContact O-N 3.33Å; T44-I47 PolarHBondContact O-N 3.27Å; I47-Y49 VanDerWaalsContact C-N 3.29Å; I47-Y49 PolarHBondContact O-N 3.08Å; I47-L50 WeakPolarHBondContact O-CB 3.33Å; I47-L50 PolarHBondContact O-N 2.91Å; I47-W51 VanDerWaalsContact CG2-CD1 3.5Å; I47-W51 PolarHBondContact O-N 3.4Å
48V89.1Confident80.9Confident81 Ų81103.3 Ų103.349%0.49152%0.515SS..Hα-helixtrans-58.9-42.8178.9171.70000110.8T44 L45 W51 V52T44-V48 VanDerWaalsContact O-CG2 3.29Å; T44-V48 WeakPolarHBondContact O-CG2 3.41Å; T44-V48 PolarHBondContact O-N 3.18Å; L45-V48 PolarHBondContact O-N 2.93Å; V48-W51 PolarHBondContact O-N 2.9Å; V48-V52 HydrophobicContact CG1-CG2 4.31Å; V48-V52 WeakPolarHBondContact O-CB 3.5Å; V48-V52 VanDerWaalsContact O-CG2 3.3Å; V48-V52 WeakPolarHBondContact O-CG2 3.35Å; V48-V52 PolarHBondContact O-N 2.88Å
49Y88.5Confident80.4Confident163 Ų163105.6 Ų105.664%0.63952%0.516SS*.Hα-helixtrans-62.3-43.8176.6-178.7-99.5000112.5L45 W46 I47 W51 V52 S53L45-Y49 VanDerWaalsContact O-CB 3.26Å; L45-Y49 WeakPolarHBondContact O-CB 3.21Å; L45-Y49 PolarHBondContact O-N 3.24Å; W46-Y49 PolarHBondContact O-N 3.34Å; I47-Y49 VanDerWaalsContact C-N 3.29Å; I47-Y49 PolarHBondContact O-N 3.08Å; Y49-W51 VanDerWaalsContact C-N 3.35Å; Y49-W51 PolarHBondContact O-N 3.26Å; Y49-V52 PolarHBondContact O-N 3.42Å; Y49-S53 VanDerWaalsContact O-CB 3.28Å; Y49-S53 WeakPolarHBondContact O-CB 3.49Å; Y49-S53 PolarHBondContact O-N 3.19Å; Y49-S53 PolarHBondContact O-OG 3.37Å
50L87.8Confident79.3Confident95 Ų95108.6 Ų108.650%0.49753%0.527SS..Hα-helixtrans-61.7-43.7175.9-164.393.3000111W46 I47 S53 L54W46-L50 WeakPolarHBondContact O-CB 3.36Å; W46-L50 PolarHBondContact O-N 2.95Å; I47-L50 WeakPolarHBondContact O-CB 3.33Å; I47-L50 PolarHBondContact O-N 2.91Å; L50-S53 PolarHBondContact O-N 3.47Å; L50-L54 WeakPolarHBondContact O-CB 3.34Å; L50-L54 PolarHBondContact O-N 2.89Å
51W86.3Confident78.2Confident152 Ų152105 Ų10558%0.57652%0.52SS*.Hα-helixtrans-65.6-44.4177.3-82.6103.8000112.5I47 V48 Y49 S53 L54 L55I47-W51 VanDerWaalsContact CG2-CD1 3.5Å; I47-W51 PolarHBondContact O-N 3.4Å; V48-W51 PolarHBondContact O-N 2.9Å; Y49-W51 VanDerWaalsContact C-N 3.35Å; Y49-W51 PolarHBondContact O-N 3.26Å; W51-S53 VanDerWaalsContact C-N 3.32Å; W51-S53 PolarHBondContact O-N 2.87Å; W51-L54 HydrophobicContact CE3-CD2 4.48Å; W51-L54 PolarHBondContact O-N 3.49Å; W51-L55 VanDerWaalsContact O-CB 3.26Å; W51-L55 WeakPolarHBondContact O-CB 3.28Å; W51-L55 WeakPolarHBondContact O-CD1 3.32Å; W51-L55 VanDerWaalsContact O-CG 3.27Å; W51-L55 WeakPolarHBondContact O-CG 3.26Å; W51-L55 PolarHBondContact O-N 2.82Å
52V83.7Confident76.9Confident83 Ų83109.7 Ų109.750%0.50353%0.529SS..Hα-helixtrans-63.9-39.9176.5171.60000110.6V48 Y49 L55 K56V48-V52 HydrophobicContact CG1-CG2 4.31Å; V48-V52 WeakPolarHBondContact O-CB 3.5Å; V48-V52 VanDerWaalsContact O-CG2 3.3Å; V48-V52 WeakPolarHBondContact O-CG2 3.35Å; V48-V52 PolarHBondContact O-N 2.88Å; Y49-V52 PolarHBondContact O-N 3.42Å; V52-L55 PolarHBondContact O-N 3.37Å; V52-K56 VanDerWaalsContact O-CB 3.23Å; V52-K56 WeakPolarHBondContact O-CB 3.23Å; V52-K56 PolarHBondContact O-N 3.42Å
53S81.4Confident75.2Confident44 Ų44110.9 Ų110.931%0.30853%0.532SS..Hα-helixtrans-65.8-43176.5-610000111.9Y49 L50 W51 K56 T57Y49-S53 VanDerWaalsContact O-CB 3.28Å; Y49-S53 WeakPolarHBondContact O-CB 3.49Å; Y49-S53 PolarHBondContact O-N 3.19Å; Y49-S53 PolarHBondContact O-OG 3.37Å; L50-S53 PolarHBondContact O-N 3.47Å; W51-S53 VanDerWaalsContact C-N 3.32Å; W51-S53 PolarHBondContact O-N 2.87Å; S53-K56 PolarHBondContact O-N 2.8Å; S53-T57 WeakPolarHBondContact O-CG2 3.36Å; S53-T57 PolarHBondContact O-N 2.79Å; S53-T57 PolarHBondContact O-OG1 2.86Å
54L79.7Confident73.6Confident87 Ų87111.1 Ų111.146%0.45555%0.548SS..Hα-helixtrans-65.2-42.9174.3-167.896.6000111.8L50 W51 K56 T57 I58L50-L54 WeakPolarHBondContact O-CB 3.34Å; L50-L54 PolarHBondContact O-N 2.89Å; W51-L54 HydrophobicContact CE3-CD2 4.48Å; W51-L54 PolarHBondContact O-N 3.49Å; L54-K56 VanDerWaalsContact C-N 3.31Å; L54-K56 PolarHBondContact O-N 3.43Å; L54-T57 PolarHBondContact O-N 3.37Å; L54-T57 PolarHBondContact O-OG1 3.41Å; L54-I58 HydrophobicContact CD2-CD1 3.96Å; L54-I58 HydrophobicContact CG-CD1 3.98Å; L54-I58 WeakPolarHBondContact O-CB 3.23Å; L54-I58 WeakPolarHBondContact O-CD1 3.27Å; L54-I58 VanDerWaalsContact O-CG1 3.23Å; L54-I58 WeakPolarHBondContact O-CG1 3.28Å; L54-I58 PolarHBondContact O-N 2.95Å
55L80.6Confident72.1Confident102 Ų102112.3 Ų112.353%0.53455%0.548SS..Hα-helixtrans-62.6-41.2175.7-80.8157.9000110.6W51 V52 I58 F59W51-L55 VanDerWaalsContact O-CB 3.26Å; W51-L55 WeakPolarHBondContact O-CB 3.28Å; W51-L55 WeakPolarHBondContact O-CD1 3.32Å; W51-L55 VanDerWaalsContact O-CG 3.27Å; W51-L55 WeakPolarHBondContact O-CG 3.26Å; W51-L55 PolarHBondContact O-N 2.82Å; V52-L55 PolarHBondContact O-N 3.37Å; L55-I58 PolarHBondContact O-N 3.43Å; L55-F59 VanDerWaalsContact O-CB 3.28Å; L55-F59 WeakPolarHBondContact O-CB 3.26Å; L55-F59 PolarHBondContact O-N 3.41Å
56K74.1Confident70.4Confident155 Ų155114.6 Ų114.667%0.67456%0.561SS**Hα-helixtrans-64.6-43.4177.3-166.7173.4174.6100.80111.4V52 S53 L54 F59 W60V52-K56 VanDerWaalsContact O-CB 3.23Å; V52-K56 WeakPolarHBondContact O-CB 3.23Å; V52-K56 PolarHBondContact O-N 3.42Å; S53-K56 PolarHBondContact O-N 2.8Å; L54-K56 VanDerWaalsContact C-N 3.31Å; L54-K56 PolarHBondContact O-N 3.43Å; K56-F59 PolarHBondContact O-N 3.47Å; K56-W60 VanDerWaalsContact O-CB 3.24Å; K56-W60 WeakPolarHBondContact O-CB 3.47Å; K56-W60 PolarHBondContact O-N 2.85Å
57T70.2Confident68.8Low89 Ų89108.9 Ų108.955%0.54655%0.553SS.*Hα-helixtrans-65.6-40.7175.754.90000112.5S53 L54 S61S53-T57 WeakPolarHBondContact O-CG2 3.36Å; S53-T57 PolarHBondContact O-N 2.79Å; S53-T57 PolarHBondContact O-OG1 2.86Å; L54-T57 PolarHBondContact O-N 3.37Å; L54-T57 PolarHBondContact O-OG1 3.41Å; T57-S61 WeakPolarHBondContact O-CB 3.3Å; T57-S61 PolarHBondContact O-N 3.21Å
58I70.9Confident67Low84 Ų84109 Ų10943%0.43156%0.561SS.*Hα-helixtrans-65-45176.4-67.5166.6000111L54 L55 S61 R62L54-I58 HydrophobicContact CD2-CD1 3.96Å; L54-I58 HydrophobicContact CG-CD1 3.98Å; L54-I58 WeakPolarHBondContact O-CB 3.23Å; L54-I58 WeakPolarHBondContact O-CD1 3.27Å; L54-I58 VanDerWaalsContact O-CG1 3.23Å; L54-I58 WeakPolarHBondContact O-CG1 3.28Å; L54-I58 PolarHBondContact O-N 2.95Å; L55-I58 PolarHBondContact O-N 3.43Å; I58-S61 PolarHBondContact O-N 2.84Å; I58-S61 PolarHBondContact O-OG 3.49Å; I58-R62 PolarHBondContact O-N 2.9Å
59F59.3Low65.4Low121 Ų121108.1 Ų108.153%0.53156%0.556SS.*Hα-helixtrans-71.5-35-177.9-141-95.3000112.2L55 K56 R62 N63L55-F59 VanDerWaalsContact O-CB 3.28Å; L55-F59 WeakPolarHBondContact O-CB 3.26Å; L55-F59 PolarHBondContact O-N 3.41Å; K56-F59 PolarHBondContact O-N 3.47Å; F59-R62 PolarHBondContact O-N 2.84Å; F59-N63 WeakPolarHBondContact CE1-ND2 3.4Å; F59-N63 PolarHBondContact O-N 3.46Å
60W52.8Low63.9Low216 Ų216104.3 Ų104.382%0.81855%0.547SS*.Hα-helixtrans-67-37.2172.5-143.359.9000111.6K56 R62 N63 G64K56-W60 VanDerWaalsContact O-CB 3.24Å; K56-W60 WeakPolarHBondContact O-CB 3.47Å; K56-W60 PolarHBondContact O-N 2.85Å; W60-R62 PolarHBondContact O-N 3.23Å; W60-N63 PolarHBondContact O-N 2.87Å; W60-G64 PolarHBondContact O-N 3.38Å
61S53.4Low62.4Low70 Ų70104.4 Ų104.449%0.4955%0.551SS.*Hα-helixtrans-65.3-22.7172.886.40000113.6T57 I58 H65T57-S61 WeakPolarHBondContact O-CB 3.3Å; T57-S61 PolarHBondContact O-N 3.21Å; I58-S61 PolarHBondContact O-N 2.84Å; I58-S61 PolarHBondContact O-OG 3.49Å; S61-H65 PolarHBondContact O-CD2 2.88Å
62R49.9Very low60.9Low176 Ų176104 Ų10466%0.66456%0.555SS**Hα-helixtrans-94.6-25.9-179.2-163.8137.778-179.37.1113.8I58 F59 W60I58-R62 PolarHBondContact O-N 2.9Å; F59-R62 PolarHBondContact O-N 2.84Å; W60-R62 PolarHBondContact O-N 3.23Å
63N47.2Very low59.6Low117 Ų117105.1 Ų105.163%0.62656%0.555SS**Hα-helixtrans-95-8.9-179.2-76.39000114.3F59 W60F59-N63 WeakPolarHBondContact CE1-ND2 3.4Å; F59-N63 PolarHBondContact O-N 3.46Å; W60-N63 PolarHBondContact O-N 2.87Å
64G49.4Very low58.6Low58 Ų58110.8 Ų110.860%0.59857%0.57SS**SBendtrans-105.93.1-178.900000116.2W60W60-G64 PolarHBondContact O-N 3.38Å
65H50.1Low57.5Low108 Ų108109.1 Ų109.150%0.557%0.568SS.*  trans-115.821.8-165.4-94.1-29.2000116.4S61 T69S61-H65 PolarHBondContact O-CD2 2.88Å; H65-T69 PolarHBondContact O-OG1 3.38Å; H65-T69 VanDerWaalsContact O-OG1 3.13Å
66D48.5Very low56.3Low161 Ų161111.6 Ų111.686%0.86157%0.571SS**SBendtrans-99.18.7-176.5-77.7-12.6000115.7
67G52.2Low55.5Low47 Ų47111.9 Ų111.949%0.48557%0.568SS.*SBendtrans-134.9-37.6177.200000116.6
68S52Low54.8Low79 Ų79111.1 Ų111.155%0.55257%0.566SS**Hα-helixtrans-81.7-32.7-169.31700000114Q72S68-Q72 WeakPolarHBondContact O-CG 3.31Å; S68-Q72 PolarHBondContact O-N 3.36Å
69T54.3Low54.3Low63 Ų63112 Ų11239%0.38757%0.572SS.*Hα-helixtrans-72.4-33.6-177.5350000112.6H65 Q73H65-T69 PolarHBondContact O-OG1 3.38Å; H65-T69 VanDerWaalsContact O-OG1 3.13Å; T69-Q73 WeakPolarHBondContact O-CB 3.26Å; T69-Q73 PolarHBondContact O-N 2.92Å
70D58Low54.1Low84 Ų84112.7 Ų112.745%0.44957%0.571SS.*Hα-helixtrans-67.4-40.9176.6-170.862000111.7Q73 R74D70-Q73 PolarHBondContact O-N 3.39Å; D70-R74 WeakPolarHBondContact O-CB 3.34Å; D70-R74 PolarHBondContact O-N 3.3Å; D70-R74 IonicContact OD2-CZ 3.65Å; D70-R74 IonicContact OD2-NH1 3.08Å; D70-R74 IonicContact OD2-NH2 3.44Å; D70-R74 PolarHBondContact OD2-NH2 3.5Å; D70-R74 VanDerWaalsContact OD2-NH2 3.08Å
71V56.6Low54.3Low96 Ų96112.1 Ų112.158%0.58257%0.568SS**Hα-helixtrans-67.5-45.8178.5-178.20000111.2Q73 R74 A75V71-Q73 VanDerWaalsContact C-N 3.34Å; V71-Q73 PolarHBondContact O-N 2.91Å; V71-R74 PolarHBondContact O-N 3.41Å; V71-A75 WeakPolarHBondContact O-CB 3.43Å; V71-A75 PolarHBondContact O-N 2.85Å
72Q54.6Low54.3Low143 Ų143118.4 Ų118.467%0.66858%0.581SS**Hα-helixtrans-63-40.2176-74.5-89.9-38.900111.6S68 W76S68-Q72 WeakPolarHBondContact O-CG 3.31Å; S68-Q72 PolarHBondContact O-N 3.36Å; Q72-W76 VanDerWaalsContact O-CB 3.32Å; Q72-W76 WeakPolarHBondContact O-CB 3.43Å; Q72-W76 PolarHBondContact O-N 3.38Å
73Q57.1Low54.3Low107 Ų107115 Ų11550%0.557%0.573SS.*Hα-helixtrans-74.9-31.1179.8-166.7151.4-33.500112.6T69 D70 V71 R77T69-Q73 WeakPolarHBondContact O-CB 3.26Å; T69-Q73 PolarHBondContact O-N 2.92Å; D70-Q73 PolarHBondContact O-N 3.39Å; V71-Q73 VanDerWaalsContact C-N 3.34Å; V71-Q73 PolarHBondContact O-N 2.91Å; Q73-R77 WeakPolarHBondContact O-CB 3.45Å; Q73-R77 WeakPolarHBondContact O-CG 3.37Å; Q73-R77 PolarHBondContact O-N 3.14Å
74R59.7Low54.7Low164 Ų164114.7 Ų114.762%0.61957%0.568SS**Hα-helixtrans-70.1-42.2171.5-172.2175.5-74.3153.46.7111.5D70 V71 R77 S78D70-R74 WeakPolarHBondContact O-CB 3.34Å; D70-R74 PolarHBondContact O-N 3.3Å; D70-R74 IonicContact OD2-CZ 3.65Å; D70-R74 IonicContact OD2-NH1 3.08Å; D70-R74 IonicContact OD2-NH2 3.44Å; D70-R74 PolarHBondContact OD2-NH2 3.5Å; D70-R74 VanDerWaalsContact OD2-NH2 3.08Å; V71-R74 PolarHBondContact O-N 3.41Å; R74-R77 PolarHBondContact O-N 2.99Å; R74-S78 PolarHBondContact O-N 2.92Å; R74-S78 VanDerWaalsContact O-N 3.07Å
75A57Low54.9Low51 Ų51114.4 Ų114.442%0.42157%0.565SS.*Hα-helixtrans-64.3-39.317300000112.1V71 S78 N79V71-A75 WeakPolarHBondContact O-CB 3.43Å; V71-A75 PolarHBondContact O-N 2.85Å; A75-S78 PolarHBondContact O-N 2.87Å; A75-S78 PolarHBondContact O-OG 2.85Å; A75-N79 PolarHBondContact O-N 3.22Å; A75-N79 VanDerWaalsContact O-N 3.09Å
76W54.3Low54.7Low155 Ų155115.8 Ų115.859%0.58758%0.575SS**Hα-helixtrans-67.2-39.6176.2-167.682.6000112.7Q72 R80Q72-W76 VanDerWaalsContact O-CB 3.32Å; Q72-W76 WeakPolarHBondContact O-CB 3.43Å; Q72-W76 PolarHBondContact O-N 3.38Å; W76-R80 WeakPolarHBondContact O-CB 3.46Å; W76-R80 PolarHBondContact O-N 3.4Å
77R56.8Low54.7Low160 Ų160117.1 Ų117.160%0.60457%0.568SS**Hα-helixtrans-65.6-35.1174.5-79.8-175-177.3153.90.6112.8Q73 R74 R81Q73-R77 WeakPolarHBondContact O-CB 3.45Å; Q73-R77 WeakPolarHBondContact O-CG 3.37Å; Q73-R77 PolarHBondContact O-N 3.14Å; R74-R77 PolarHBondContact O-N 2.99Å; R77-R81 PolarHBondContact O-N 2.9Å
78S57.1Low54.6Low73 Ų73119.5 Ų119.551%0.5158%0.577SS.*Hα-helixtrans-73.3-3917883.50000112.3R74 A75 R80 R81 R82R74-S78 PolarHBondContact O-N 2.92Å; R74-S78 VanDerWaalsContact O-N 3.07Å; A75-S78 PolarHBondContact O-N 2.87Å; A75-S78 PolarHBondContact O-OG 2.85Å; S78-R80 PolarHBondContact O-N 3.47Å; S78-R81 PolarHBondContact O-N 3.46Å; S78-R82 PolarHBondContact O-N 3.43Å
79N58.9Low54.4Low104 Ų104122.8 Ų122.856%0.55659%0.587SS**Hα-helixtrans-69.2-32.2176.9-108.3-33.3000113A75 R82 Q83A75-N79 PolarHBondContact O-N 3.22Å; A75-N79 VanDerWaalsContact O-N 3.09Å; N79-R82 PolarHBondContact O-N 3.04Å; N79-Q83 PolarHBondContact O-N 2.68Å
80R56.1Low54.1Low135 Ų135124.4 Ų124.451%0.50960%0.6SS.*Hα-helixtrans-64.9-41.5176.3-169.1166.6-176.8167.92.7112.4W76 S78 Q83 E84W76-R80 WeakPolarHBondContact O-CB 3.46Å; W76-R80 PolarHBondContact O-N 3.4Å; S78-R80 PolarHBondContact O-N 3.47Å; R80-Q83 PolarHBondContact O-N 2.97Å; R80-E84 IonicContact NE-OE1 2.85Å; R80-E84 WeakPolarHBondContact O-CG 3.3Å; R80-E84 PolarHBondContact O-N 3.21Å
81R57.7Low53.8Low204 Ų204128.8 Ų128.877%0.7762%0.62SS**Hα-helixtrans-66.5-37.3174.9-72.9-169.8-177.6-172.40.9112.8R77 S78 E84R77-R81 PolarHBondContact O-N 2.9Å; S78-R81 PolarHBondContact O-N 3.46Å; R81-E84 PolarHBondContact O-N 3.45Å
82R52.7Low53Low201 Ų201132 Ų13276%0.75863%0.628SS**Hα-helixtrans-67.9-34.9173.8-87.2-168-179.1-173.21113.1S78 N79 L86S78-R82 PolarHBondContact O-N 3.43Å; N79-R82 PolarHBondContact O-N 3.04Å; R82-L86 PolarHBondContact O-N 2.86Å
83Q50.8Low52.9Low104 Ų104131.5 Ų131.549%0.48664%0.635SS.*Hα-helixtrans-74-30.1175.6-80-139.4-1.900113.7N79 R80 G85 L86 R87N79-Q83 PolarHBondContact O-N 2.68Å; R80-Q83 PolarHBondContact O-N 2.97Å; Q83-G85 VanDerWaalsContact C-N 3.27Å; Q83-G85 PolarHBondContact O-N 3.37Å; Q83-L86 PolarHBondContact O-N 2.98Å; Q83-R87 VanDerWaalsContact O-CB 3.32Å; Q83-R87 WeakPolarHBondContact O-CB 3.5Å; Q83-R87 VanDerWaalsContact O-CG 3.25Å; Q83-R87 WeakPolarHBondContact O-CG 3.28Å; Q83-R87 PolarHBondContact O-N 3.32Å
84E53.7Low51.9Low112 Ų112135.7 Ų135.752%0.52365%0.652SS.*Hα-helixtrans-65.5-30.7175.1-77.6162.9-174.900111.8R80 R81R80-E84 IonicContact NE-OE1 2.85Å; R80-E84 WeakPolarHBondContact O-CG 3.3Å; R80-E84 PolarHBondContact O-N 3.21Å; R81-E84 PolarHBondContact O-N 3.45Å
85G53.7Low51.1Low52 Ų52137.6 Ų137.654%0.53666%0.664SS.*Hα-helixtrans-75.7-24.6171.900000115.5Q83 S88Q83-G85 VanDerWaalsContact C-N 3.27Å; Q83-G85 PolarHBondContact O-N 3.37Å; G85-S88 PolarHBondContact O-OG 2.87Å
86L47.4Very low50.4Low136 Ų136146.2 Ų146.271%0.71269%0.686SS**Hα-helixtrans-93.3-18.7177.2-76.3167.7000113.4R82 Q83 S88R82-L86 PolarHBondContact O-N 2.86Å; Q83-L86 PolarHBondContact O-N 2.98Å; L86-S88 VanDerWaalsContact C-N 3.3Å; L86-S88 PolarHBondContact O-N 3.44Å
87R47.8Very low49.9Very low190 Ų190145 Ų14572%0.71770%0.695SS**THydrogen-bonded Turntrans-75-13-179.6-86.2178.6-178.5-159.20.3114.4Q83Q83-R87 VanDerWaalsContact O-CB 3.32Å; Q83-R87 WeakPolarHBondContact O-CB 3.5Å; Q83-R87 VanDerWaalsContact O-CG 3.25Å; Q83-R87 WeakPolarHBondContact O-CG 3.28Å; Q83-R87 PolarHBondContact O-N 3.32Å
88S49.3Very low49.3Very low97 Ų97142.3 Ų142.368%0.67870%0.701SS**THydrogen-bonded Turntrans-82.2-8.1177.554.50000114.2G85 L86G85-S88 PolarHBondContact O-OG 2.87Å; L86-S88 VanDerWaalsContact C-N 3.3Å; L86-S88 PolarHBondContact O-N 3.44Å
89I48.9Very low49.1Very low148 Ų148143 Ų14376%0.75971%0.706SS**SBendtrans-114.8-7.5-172.7-59.4178.5000114.3
90C48Very low48.4Very low96 Ų96146.9 Ų146.965%0.64972%0.718SS**  trans-132.286.6-177.9-168.60000113.4
91M50.8Low48Very low177 Ų177152.7 Ų152.787%0.87274%0.74SS**  trans-89.989.2153.2-82.8-115.675.700108.6
92H40.4Very low47.7Very low163 Ų163145.4 Ų145.476%0.75573%0.728SS**  trans-135.4126155.9-83.6-72000112.1K94H92-K94 PolarHBondContact O-N 3.27Å
93T51.6Low47.8Very low133 Ų133142.4 Ų142.482%0.81673%0.727SS**  trans-30.3113.8-179.650.50000116.2
94K36.4Very low48Very low194 Ų194143.6 Ų143.684%0.84373%0.731SS**  trans-116.399.2148.9-82.3-172.2177-179.30109.5H92 R96H92-K94 PolarHBondContact O-N 3.27Å; K94-R96 PolarHBondContact O-N 3.46Å
95K43.6Very low48.2Very low205 Ų205144.5 Ų144.589%0.89174%0.738SS**  trans-53.2110.5162.2-82.3-177.6176.3176.50107.7
96R42.6Very low48.4Very low231 Ų231146.7 Ų146.787%0.87274%0.741SS**  trans-89.2103.9164.6-71.8-170.3179.4-168.7-0.4107.7K94 S98K94-R96 PolarHBondContact O-N 3.46Å; R96-S98 PolarHBondContact O-N 2.85Å; R96-S98 VanDerWaalsContact O-N 3.09Å
97V43Very low49.4Very low129 Ų129145.4 Ų145.478%0.78273%0.734SS**  trans-61.2108.8160.9179.40000106.3
98S44Very low50.4Low105 Ų105142.9 Ų142.973%0.73473%0.728SS**  trans-111.969.3178.264.10000110.1R96 F100R96-S98 PolarHBondContact O-N 2.85Å; R96-S98 VanDerWaalsContact O-N 3.09Å; S98-F100 PolarHBondContact O-N 3.39Å
99S53.5Low51.4Low87 Ų87143 Ų14361%0.60872%0.721SS**  trans-93.479.4172.254.60000110.4
100F44Very low52.6Low186 Ų186140 Ų14082%0.81671%0.71SS**  trans-144.995.5147.6-89.7-75.5000108.6S98S98-F100 PolarHBondContact O-N 3.39Å
101R48.8Very low54Low257 Ų257138.9 Ų138.997%0.9770%0.696SS**  trans-106.261.9179.3-166.1-177.8-170.2-129.14.9108.6
102G49.9Very low55.4Low50 Ų50134.5 Ų134.552%0.51568%0.68SS.*SBendtrans-148.6136.6171.500000107.7
103N55.1Low57.3Low138 Ų138132.1 Ų132.174%0.73867%0.672SS**SBendtrans79.8-3.4179.4-675.4000119.9I105 L107N103-I105 VanDerWaalsContact C-N 3.26Å; N103-I105 PolarHBondContact O-N 2.87Å; N103-L107 PolarHBondContact O-N 3.36Å
104K56.2Low58.9Low130 Ų130133.8 Ų133.857%0.56566%0.664SS**Hα-helixtrans-67.5-22.2174.9-71-177.2-175.8174.60114.2K108K104-K108 WeakPolarHBondContact O-CB 3.27Å; K104-K108 VanDerWaalsContact O-CD 3.25Å; K104-K108 WeakPolarHBondContact O-CD 3.41Å; K104-K108 WeakPolarHBondContact O-CG 3.37Å
105I57.8Low61.1Low131 Ų131132.8 Ų132.867%0.67265%0.654SS**Hα-helixtrans-78.1-55-177.4-61.5168.9000109.5N103 L107 K108 D109N103-I105 VanDerWaalsContact C-N 3.26Å; N103-I105 PolarHBondContact O-N 2.87Å; I105-L107 PolarHBondContact O-N 2.89Å; I105-K108 PolarHBondContact O-N 3.43Å; I105-K108 VanDerWaalsContact O-N 3.17Å; I105-D109 PolarHBondContact O-N 3.2Å
106V57.1Low63Low97 Ų97127.4 Ų127.459%0.58863%0.632SS**Hα-helixtrans-59.9-43.3-178.6-176.70000112.7K108 D109 V110V106-K108 PolarHBondContact O-N 3.32Å; V106-D109 PolarHBondContact O-N 3.47Å; V106-V110 HydrophobicContact CG1-CG2 4.47Å; V106-V110 VanDerWaalsContact O-CG2 3.29Å; V106-V110 WeakPolarHBondContact O-CG2 3.44Å; V106-V110 PolarHBondContact O-N 3.05Å
107L68.6Low65.1Low110 Ų110120.1 Ų120.158%0.57661%0.613SS**Hα-helixtrans-66.9-37.6179.7-177.462.9000112.2N103 I105 D109 V110 I111N103-L107 PolarHBondContact O-N 3.36Å; I105-L107 PolarHBondContact O-N 2.89Å; L107-D109 VanDerWaalsContact C-N 3.33Å; L107-V110 PolarHBondContact O-N 3.03Å; L107-I111 HydrophobicContact CD1-CD1 4.06Å; L107-I111 HydrophobicContact CD1-CG1 4.31Å; L107-I111 HydrophobicContact CD2-CD1 4.48Å; L107-I111 HydrophobicContact CG-CD1 3.82Å; L107-I111 HydrophobicContact CG-CG1 4.48Å; L107-I111 WeakPolarHBondContact O-CB 3.26Å; L107-I111 WeakPolarHBondContact O-CD1 3.32Å; L107-I111 WeakPolarHBondContact O-CG1 3.42Å; L107-I111 PolarHBondContact O-N 3.48Å
108K68.6Low67Low136 Ų136117.1 Ų117.159%0.59159%0.59SS**Hα-helixtrans-63.2-43.3175.2-77.9175.7-175.5-175.80110.4K104 I105 V106 I111 T112K104-K108 WeakPolarHBondContact O-CB 3.27Å; K104-K108 VanDerWaalsContact O-CD 3.25Å; K104-K108 WeakPolarHBondContact O-CD 3.41Å; K104-K108 WeakPolarHBondContact O-CG 3.37Å; I105-K108 PolarHBondContact O-N 3.43Å; I105-K108 VanDerWaalsContact O-N 3.17Å; V106-K108 PolarHBondContact O-N 3.32Å; K108-I111 PolarHBondContact O-N 3.24Å; K108-T112 WeakPolarHBondContact O-CB 3.32Å; K108-T112 PolarHBondContact O-N 3.21Å; K108-T112 PolarHBondContact O-OG1 2.96Å
109D71.7Confident69.2Low99 Ų99116.1 Ų116.153%0.52958%0.58SS.*Hα-helixtrans-66.2-40.8-179.5-64.1-25.4000111.8I105 V106 L107 T112 L113I105-D109 PolarHBondContact O-N 3.2Å; V106-D109 PolarHBondContact O-N 3.47Å; L107-D109 VanDerWaalsContact C-N 3.33Å; D109-T112 PolarHBondContact O-N 2.84Å; D109-L113 VanDerWaalsContact O-CB 3.26Å; D109-L113 WeakPolarHBondContact O-CB 3.29Å; D109-L113 PolarHBondContact O-N 3.38Å
110V72.3Confident70.9Confident86 Ų86117.8 Ų117.852%0.52158%0.576SS.*Hα-helixtrans-64.2-42.7175.1173.20000111.8V106 L107 T112 L113 R114V106-V110 HydrophobicContact CG1-CG2 4.47Å; V106-V110 VanDerWaalsContact O-CG2 3.29Å; V106-V110 WeakPolarHBondContact O-CG2 3.44Å; V106-V110 PolarHBondContact O-N 3.05Å; L107-V110 PolarHBondContact O-N 3.03Å; V110-T112 VanDerWaalsContact C-N 3.33Å; V110-T112 PolarHBondContact O-N 2.85Å; V110-L113 PolarHBondContact O-N 2.77Å; V110-R114 WeakPolarHBondContact O-CB 3.3Å; V110-R114 PolarHBondContact O-N 3.5Å
111I78Confident73.1Confident72 Ų72112.4 Ų112.437%0.36956%0.559SS.*Hα-helixtrans-65.7-39.3177-68.3166.8000110.7L107 K108 R114 R115L107-I111 HydrophobicContact CD1-CD1 4.06Å; L107-I111 HydrophobicContact CD1-CG1 4.31Å; L107-I111 HydrophobicContact CD2-CD1 4.48Å; L107-I111 HydrophobicContact CG-CD1 3.82Å; L107-I111 HydrophobicContact CG-CG1 4.48Å; L107-I111 WeakPolarHBondContact O-CB 3.26Å; L107-I111 WeakPolarHBondContact O-CD1 3.32Å; L107-I111 WeakPolarHBondContact O-CG1 3.42Å; L107-I111 PolarHBondContact O-N 3.48Å; K108-I111 PolarHBondContact O-N 3.24Å; I111-R114 PolarHBondContact O-N 3.27Å; I111-R115 WeakPolarHBondContact O-CB 3.32Å; I111-R115 VanDerWaalsContact O-CG 3.3Å; I111-R115 WeakPolarHBondContact O-CG 3.32Å; I111-R115 PolarHBondContact O-N 2.84Å
112T81.4Confident74.8Confident86 Ų86107.4 Ų107.453%0.52854%0.54SS..Hα-helixtrans-69.1-42.8-179.7-47.90000110.6K108 D109 V110 R115 H116K108-T112 WeakPolarHBondContact O-CB 3.32Å; K108-T112 PolarHBondContact O-N 3.21Å; K108-T112 PolarHBondContact O-OG1 2.96Å; D109-T112 PolarHBondContact O-N 2.84Å; V110-T112 VanDerWaalsContact C-N 3.33Å; V110-T112 PolarHBondContact O-N 2.85Å; T112-R115 PolarHBondContact O-N 3.49Å; T112-H116 WeakPolarHBondContact O-CB 3.29Å; T112-H116 PolarHBondContact O-N 2.86Å
113L79Confident76.5Confident112 Ų112107.3 Ų107.359%0.58653%0.534SS*.Hα-helixtrans-62.6-45.3174.9-17465.1000111.4D109 V110 R115 H116 V117D109-L113 VanDerWaalsContact O-CB 3.26Å; D109-L113 WeakPolarHBondContact O-CB 3.29Å; D109-L113 PolarHBondContact O-N 3.38Å; V110-L113 PolarHBondContact O-N 2.77Å; L113-R115 PolarHBondContact O-N 3.09Å; L113-H116 PolarHBondContact O-N 3.35Å; L113-V117 WeakPolarHBondContact O-CG2 3.39Å; L113-V117 PolarHBondContact O-N 2.85Å
114R84.5Confident77.9Confident169 Ų169108.2 Ų108.264%0.63853%0.531SS*.Hα-helixtrans-58.1-47.7175.3-178.8-177.8167.8-164.4-2.1111.4V110 I111 H116 V117 E118V110-R114 WeakPolarHBondContact O-CB 3.3Å; V110-R114 PolarHBondContact O-N 3.5Å; I111-R114 PolarHBondContact O-N 3.27Å; R114-H116 VanDerWaalsContact C-N 3.33Å; R114-H116 PolarHBondContact O-N 3.12Å; R114-V117 PolarHBondContact O-N 2.85Å; R114-E118 IonicContact CZ-OE1 3.29Å; R114-E118 IonicContact NE-OE1 3.75Å; R114-E118 PolarHBondContact NE-OE1 2.91Å; R114-E118 IonicContact NH2-OE1 3.17Å; R114-E118 PolarHBondContact NH2-OE1 3.22Å; R114-E118 WeakPolarHBondContact O-CB 3.48Å; R114-E118 WeakPolarHBondContact O-CG 2.85Å; R114-E118 PolarHBondContact O-N 3.45Å
115R83.6Confident79.2Confident173 Ų173106.9 Ų106.965%0.65353%0.529SS*.Hα-helixtrans-60.8-42177.5-75.4176177.8-1770.2111.8I111 T112 L113 E118 T119I111-R115 WeakPolarHBondContact O-CB 3.32Å; I111-R115 VanDerWaalsContact O-CG 3.3Å; I111-R115 WeakPolarHBondContact O-CG 3.32Å; I111-R115 PolarHBondContact O-N 2.84Å; T112-R115 PolarHBondContact O-N 3.49Å; L113-R115 PolarHBondContact O-N 3.09Å; R115-E118 PolarHBondContact O-N 3.4Å; R115-T119 WeakPolarHBondContact O-CG2 3.07Å; R115-T119 PolarHBondContact O-N 2.75Å; R115-T119 PolarHBondContact O-OG1 2.98Å
116H83.8Confident80.3Confident92 Ų92109.5 Ų109.543%0.42653%0.531SS..Hα-helixtrans-66.2-39.7178.3173.1-101.4000112.9T112 L113 R114 T119 K120T112-H116 WeakPolarHBondContact O-CB 3.29Å; T112-H116 PolarHBondContact O-N 2.86Å; L113-H116 PolarHBondContact O-N 3.35Å; R114-H116 VanDerWaalsContact C-N 3.33Å; R114-H116 PolarHBondContact O-N 3.12Å; H116-T119 PolarHBondContact O-OG1 3.43Å; H116-K120 VanDerWaalsContact CE1-CE 3.41Å; H116-K120 WeakPolarHBondContact CE1-CE 3.48Å; H116-K120 VanDerWaalsContact NE2-CE 3.28Å; H116-K120 WeakPolarHBondContact NE2-CE 3.38Å; H116-K120 PolarHBondContact O-N 2.99Å; H116-K120 VanDerWaalsContact O-N 3.08Å
117V87Confident81.2Confident77 Ų77112.3 Ų112.347%0.46754%0.535SS..Hα-helixtrans-67.2-44.1174.5173.70000110.5L113 R114 T119 K120 V121L113-V117 WeakPolarHBondContact O-CG2 3.39Å; L113-V117 PolarHBondContact O-N 2.85Å; R114-V117 PolarHBondContact O-N 2.85Å; V117-T119 PolarHBondContact O-N 3.44Å; V117-K120 PolarHBondContact O-N 3.14Å; V117-V121 HydrophobicContact CG1-CG2 4.32Å; V117-V121 WeakPolarHBondContact O-CG2 3.04Å; V117-V121 PolarHBondContact O-N 3.45Å
118E82.6Confident81.5Confident66 Ų66116.2 Ų116.231%0.30854%0.542SS..Hα-helixtrans-60.8-41177.5-76.6-176.7-169.900112.2R114 R115 V121 R122R114-E118 IonicContact CZ-OE1 3.29Å; R114-E118 IonicContact NE-OE1 3.75Å; R114-E118 PolarHBondContact NE-OE1 2.91Å; R114-E118 IonicContact NH2-OE1 3.17Å; R114-E118 PolarHBondContact NH2-OE1 3.22Å; R114-E118 WeakPolarHBondContact O-CB 3.48Å; R114-E118 WeakPolarHBondContact O-CG 2.85Å; R114-E118 PolarHBondContact O-N 3.45Å; R115-E118 PolarHBondContact O-N 3.4Å; E118-V121 PolarHBondContact O-N 3.01Å; E118-R122 WeakPolarHBondContact O-CB 3.3Å; E118-R122 WeakPolarHBondContact O-CG 3.24Å; E118-R122 PolarHBondContact O-N 3.38Å
119T89.3Confident81.7Confident84 Ų84116.9 Ų116.952%0.51555%0.545SS..Hα-helixtrans-67.6-40.9176.255.70000112R115 H116 V117 R122 A123R115-T119 WeakPolarHBondContact O-CG2 3.07Å; R115-T119 PolarHBondContact O-N 2.75Å; R115-T119 PolarHBondContact O-OG1 2.98Å; H116-T119 PolarHBondContact O-OG1 3.43Å; V117-T119 PolarHBondContact O-N 3.44Å; T119-R122 PolarHBondContact O-N 3.33Å; T119-A123 VanDerWaalsContact O-CB 3.31Å; T119-A123 WeakPolarHBondContact O-CB 3.31Å; T119-A123 PolarHBondContact O-N 3.24Å
120K88.9Confident81.6Confident122 Ų122116.1 Ų116.153%0.5354%0.544SS..Hα-helixtrans-61.9-42.7174.3-81.6-167.5172.7179.90112.3H116 V117 A123 K124H116-K120 VanDerWaalsContact CE1-CE 3.41Å; H116-K120 WeakPolarHBondContact CE1-CE 3.48Å; H116-K120 VanDerWaalsContact NE2-CE 3.28Å; H116-K120 WeakPolarHBondContact NE2-CE 3.38Å; H116-K120 PolarHBondContact O-N 2.99Å; H116-K120 VanDerWaalsContact O-N 3.08Å; V117-K120 PolarHBondContact O-N 3.14Å; K120-A123 PolarHBondContact O-N 3.48Å; K120-K124 WeakPolarHBondContact O-CG 3.37Å; K120-K124 PolarHBondContact O-N 3.49Å
121V90.1Very high81.1Confident73 Ų73115.5 Ų115.544%0.44254%0.54SS..Hα-helixtrans-65.3-46176.6171.50000110.5V117 E118 A123 K124 I125V117-V121 HydrophobicContact CG1-CG2 4.32Å; V117-V121 WeakPolarHBondContact O-CG2 3.04Å; V117-V121 PolarHBondContact O-N 3.45Å; E118-V121 PolarHBondContact O-N 3.01Å; V121-A123 VanDerWaalsContact C-N 3.33Å; V121-A123 PolarHBondContact O-N 3.03Å; V121-K124 PolarHBondContact O-N 3.13Å; V121-I125 HydrophobicContact CG1-CD1 3.75Å; V121-I125 HydrophobicContact CG1-CG1 4.38Å; V121-I125 VanDerWaalsContact O-CG1 3.3Å; V121-I125 WeakPolarHBondContact O-CG1 3.31Å; V121-I125 PolarHBondContact O-N 3.32Å
122R84.8Confident80.4Confident153 Ų153116.3 Ų116.358%0.57755%0.549SS*.Hα-helixtrans-60.9-40.9176-73.5174.7-173.7-162.44.6112.2E118 T119 I125 R126E118-R122 WeakPolarHBondContact O-CB 3.3Å; E118-R122 WeakPolarHBondContact O-CG 3.24Å; E118-R122 PolarHBondContact O-N 3.38Å; T119-R122 PolarHBondContact O-N 3.33Å; R122-I125 PolarHBondContact O-N 3.03Å; R122-R126 WeakPolarHBondContact O-CB 3.42Å; R122-R126 WeakPolarHBondContact O-CG 3.41Å; R122-R126 PolarHBondContact O-N 3.43Å
123A86.4Confident79.3Confident47 Ų47119.2 Ų119.239%0.38855%0.554SS.*Hα-helixtrans-64.4-42.3175.800000111.7T119 K120 V121 R126 K127T119-A123 VanDerWaalsContact O-CB 3.31Å; T119-A123 WeakPolarHBondContact O-CB 3.31Å; T119-A123 PolarHBondContact O-N 3.24Å; K120-A123 PolarHBondContact O-N 3.48Å; V121-A123 VanDerWaalsContact C-N 3.33Å; V121-A123 PolarHBondContact O-N 3.03Å; A123-R126 PolarHBondContact O-N 3.19Å; A123-K127 WeakPolarHBondContact O-CB 3.44Å; A123-K127 WeakPolarHBondContact O-CG 3.43Å; A123-K127 PolarHBondContact O-N 3.45Å
124K84.3Confident78.3Confident158 Ų158118.8 Ų118.869%0.68755%0.551SS**Hα-helixtrans-62.7-43.1173.6-77.4-177.7177.4-175.50112.2K120 V121 K127 R128K120-K124 WeakPolarHBondContact O-CG 3.37Å; K120-K124 PolarHBondContact O-N 3.49Å; V121-K124 PolarHBondContact O-N 3.13Å; K124-K127 PolarHBondContact O-N 3.15Å; K124-R128 VanDerWaalsContact O-CB 3.3Å; K124-R128 WeakPolarHBondContact O-CB 3.48Å; K124-R128 PolarHBondContact O-N 3.31Å
125I83.3Confident76.9Confident102 Ų102116 Ų11652%0.52355%0.549SS..Hα-helixtrans-63.1-45176.3-68.1167.1000110.7V121 R122 R128 K129V121-I125 HydrophobicContact CG1-CD1 3.75Å; V121-I125 HydrophobicContact CG1-CG1 4.38Å; V121-I125 VanDerWaalsContact O-CG1 3.3Å; V121-I125 WeakPolarHBondContact O-CG1 3.31Å; V121-I125 PolarHBondContact O-N 3.32Å; R122-I125 PolarHBondContact O-N 3.03Å; I125-R128 PolarHBondContact O-N 3.33Å; I125-K129 VanDerWaalsContact O-CB 3.32Å; I125-K129 WeakPolarHBondContact O-CB 3.48Å; I125-K129 PolarHBondContact O-N 2.7Å
126R80.6Confident75.6Confident185 Ų185115.1 Ų115.170%0.69855%0.552SS**Hα-helixtrans-62.1-47.8176.2-75.2178.5-179.6-178.7-0.6111.5R122 A123 R128 K129 V130R122-R126 WeakPolarHBondContact O-CB 3.42Å; R122-R126 WeakPolarHBondContact O-CG 3.41Å; R122-R126 PolarHBondContact O-N 3.43Å; A123-R126 PolarHBondContact O-N 3.19Å; R126-R128 PolarHBondContact O-N 3.39Å; R126-K129 PolarHBondContact O-N 2.98Å; R126-V130 WeakPolarHBondContact O-CB 3.07Å; R126-V130 VanDerWaalsContact O-CG2 3.26Å; R126-V130 WeakPolarHBondContact O-CG2 3.33Å; R126-V130 PolarHBondContact O-N 3.25Å
127K77.6Confident74.2Confident157 Ų157118.5 Ų118.568%0.68357%0.568SS**Hα-helixtrans-57.2-48.1175-76.8-172.9177.6-168.80111.2A123 K124 K129 V130 T131A123-K127 WeakPolarHBondContact O-CB 3.44Å; A123-K127 WeakPolarHBondContact O-CG 3.43Å; A123-K127 PolarHBondContact O-N 3.45Å; K124-K127 PolarHBondContact O-N 3.15Å; K127-K129 PolarHBondContact O-N 2.93Å; K127-V130 PolarHBondContact O-N 3.37Å; K127-T131 WeakPolarHBondContact O-CG2 3.29Å; K127-T131 PolarHBondContact O-N 3.03Å; K127-T131 PolarHBondContact O-OG1 3.09Å; K127-T131 VanDerWaalsContact O-OG1 3.09Å
128R73.9Confident72.6Confident191 Ų191120.2 Ų120.272%0.72157%0.574SS**Hα-helixtrans-60.2-45.4177.5-165.9176.3-175.1-164.21.7111.9K124 I125 R126 V130 T131 T132K124-R128 VanDerWaalsContact O-CB 3.3Å; K124-R128 WeakPolarHBondContact O-CB 3.48Å; K124-R128 PolarHBondContact O-N 3.31Å; I125-R128 PolarHBondContact O-N 3.33Å; R126-R128 PolarHBondContact O-N 3.39Å; R128-V130 PolarHBondContact O-N 3.27Å; R128-T131 VanDerWaalsContact CA-OG1 3.31Å; R128-T131 WeakPolarHBondContact CA-OG1 3.49Å; R128-T131 PolarHBondContact O-N 2.9Å; R128-T131 PolarHBondContact O-OG1 3.11Å; R128-T132 WeakPolarHBondContact O-CB 3.4Å; R128-T132 PolarHBondContact O-N 2.93Å; R128-T132 PolarHBondContact O-OG1 2.66Å
129K73.3Confident71.2Confident150 Ų150126.3 Ų126.365%0.65260%0.6SS**Hα-helixtrans-64.2-39.3177.7-171.4172.9-177.4177.40112.2I125 R126 K127 T132 K133I125-K129 VanDerWaalsContact O-CB 3.32Å; I125-K129 WeakPolarHBondContact O-CB 3.48Å; I125-K129 PolarHBondContact O-N 2.7Å; R126-K129 PolarHBondContact O-N 2.98Å; K127-K129 PolarHBondContact O-N 2.93Å; K129-T132 PolarHBondContact O-N 3.45Å; K129-K133 PolarHBondContact O-N 2.93Å
130V69.9Low69.6Low84 Ų84126.4 Ų126.451%0.50960%0.596SS.*Hα-helixtrans-66-47.1174.5170.20000110.5R126 K127 R128 T132 K133 I134R126-V130 WeakPolarHBondContact O-CB 3.07Å; R126-V130 VanDerWaalsContact O-CG2 3.26Å; R126-V130 WeakPolarHBondContact O-CG2 3.33Å; R126-V130 PolarHBondContact O-N 3.25Å; K127-V130 PolarHBondContact O-N 3.37Å; R128-V130 PolarHBondContact O-N 3.27Å; V130-T132 VanDerWaalsContact C-N 3.31Å; V130-T132 PolarHBondContact O-N 3.37Å; V130-K133 WeakPolarHBondContact O-CB 3.3Å; V130-K133 PolarHBondContact O-N 3.31Å; V130-K133 VanDerWaalsContact O-N 3.12Å; V130-I134 HydrophobicContact CG1-CD1 3.74Å; V130-I134 HydrophobicContact CG1-CG1 4.39Å; V130-I134 VanDerWaalsContact O-CG1 3.31Å; V130-I134 WeakPolarHBondContact O-CG1 3.47Å; V130-I134 PolarHBondContact O-N 2.75Å
131T60.3Low68Low73 Ų73127.1 Ų127.145%0.44861%0.606SS.*Hα-helixtrans-63.5-35.5176.253.50000112.7K127 R128 I134 N135K127-T131 WeakPolarHBondContact O-CG2 3.29Å; K127-T131 PolarHBondContact O-N 3.03Å; K127-T131 PolarHBondContact O-OG1 3.09Å; K127-T131 VanDerWaalsContact O-OG1 3.09Å; R128-T131 VanDerWaalsContact CA-OG1 3.31Å; R128-T131 WeakPolarHBondContact CA-OG1 3.49Å; R128-T131 PolarHBondContact O-N 2.9Å; R128-T131 PolarHBondContact O-OG1 3.11Å; T131-I134 PolarHBondContact O-N 3.23Å; T131-N135 WeakPolarHBondContact O-CB 3.18Å; T131-N135 PolarHBondContact O-N 3.09Å; T131-N135 PolarHBondContact O-ND2 2.95Å
132T63.6Low66.2Low89 Ų89126.2 Ų126.255%0.54661%0.611SS.*Hα-helixtrans-68-35.7174.2-590000111.7R128 K129 V130 H136R128-T132 WeakPolarHBondContact O-CB 3.4Å; R128-T132 PolarHBondContact O-N 2.93Å; R128-T132 PolarHBondContact O-OG1 2.66Å; K129-T132 PolarHBondContact O-N 3.45Å; V130-T132 VanDerWaalsContact C-N 3.31Å; V130-T132 PolarHBondContact O-N 3.37Å; T132-H136 PolarHBondContact O-N 3.45Å
133K58.5Low64.7Low146 Ų146127.8 Ų127.864%0.63562%0.622SS**Hα-helixtrans-68.7-41.4172.8-101-168.8169.3-166.60112.5K129 V130 N135 H136 H137K129-K133 PolarHBondContact O-N 2.93Å; V130-K133 WeakPolarHBondContact O-CB 3.3Å; V130-K133 PolarHBondContact O-N 3.31Å; V130-K133 VanDerWaalsContact O-N 3.12Å; K133-N135 VanDerWaalsContact C-N 3.32Å; K133-N135 PolarHBondContact O-N 3.46Å; K133-H136 WeakPolarHBondContact O-CB 3.49Å; K133-H136 PolarHBondContact O-N 3.38Å; K133-H137 PolarHBondContact O-N 3.23Å
134I58.2Low63.2Low103 Ų103136 Ų13653%0.52864%0.643SS.*Hα-helixtrans-61.5-42.9176.3-66.8166.2000109.8V130 T131 H136 H137 D138V130-I134 HydrophobicContact CG1-CD1 3.74Å; V130-I134 HydrophobicContact CG1-CG1 4.39Å; V130-I134 VanDerWaalsContact O-CG1 3.31Å; V130-I134 WeakPolarHBondContact O-CG1 3.47Å; V130-I134 PolarHBondContact O-N 2.75Å; T131-I134 PolarHBondContact O-N 3.23Å; I134-H136 PolarHBondContact O-N 3.11Å; I134-H136 VanDerWaalsContact O-N 3.13Å; I134-H137 PolarHBondContact O-N 3.35Å; I134-D138 PolarHBondContact O-N 2.92Å
135N55.9Low61.8Low111 Ų111134 Ų13459%0.59464%0.635SS**Hα-helixtrans-66.1-10.5173.4-78.1-24.3000115T131 K133T131-N135 WeakPolarHBondContact O-CB 3.18Å; T131-N135 PolarHBondContact O-N 3.09Å; T131-N135 PolarHBondContact O-ND2 2.95Å; K133-N135 VanDerWaalsContact C-N 3.32Å; K133-N135 PolarHBondContact O-N 3.46Å
136H56.5Low60.7Low154 Ų154131.9 Ų131.971%0.71363%0.629SS**Hα-helixtrans-91.7-21.2172.6-162-33.4000111.8T132 K133 I134T132-H136 PolarHBondContact O-N 3.45Å; K133-H136 WeakPolarHBondContact O-CB 3.49Å; K133-H136 PolarHBondContact O-N 3.38Å; I134-H136 PolarHBondContact O-N 3.11Å; I134-H136 VanDerWaalsContact O-N 3.13Å
137H53.7Low60.1Low163 Ų163125.1 Ų125.176%0.75561%0.612SS**Hα-helixtrans-88.1-13.5179.6-89.3-76.5000114.4K133 I134 K139K133-H137 PolarHBondContact O-N 3.23Å; I134-H137 PolarHBondContact O-N 3.35Å; H137-K139 VanDerWaalsContact C-N 3.32Å; H137-K139 PolarHBondContact O-N 3.49Å
138D53.2Low59.9Low114 Ų114126.5 Ų126.561%0.6161%0.613SS**SBendtrans-66.599.7158.5-78.4-16.1000107.7I134 I140I134-D138 PolarHBondContact O-N 2.92Å; D138-I140 PolarHBondContact O-N 3.04Å
139K53.1Low59.9Low194 Ų194124.4 Ų124.484%0.84361%0.609SS**  trans-50.890.3166-81.5175.1174.8174.90107.7H137 N141H137-K139 VanDerWaalsContact C-N 3.32Å; H137-K139 PolarHBondContact O-N 3.49Å; K139-N141 VanDerWaalsContact C-N 3.32Å; K139-N141 PolarHBondContact O-N 2.85Å
140I56Low60Low86 Ų86123.3 Ų123.344%0.44161%0.607SS.*  trans-55.1103.3165.8-72145.1000105D138 G142 K145D138-I140 PolarHBondContact O-N 3.04Å; I140-G142 PolarHBondContact O-N 2.91Å; I140-K145 HydrophobicContact CG2-CD 3.44Å; I140-K145 VanDerWaalsContact CG2-CD 3.44Å; I140-K145 HydrophobicContact CG2-CG 3.7Å
141N55.5Low60.8Low137 Ų137126 Ų12673%0.73361%0.611SS**  trans-46.3101.4169.6-83.4-33.5000108.6K139 K143 R144K139-N141 VanDerWaalsContact C-N 3.32Å; K139-N141 PolarHBondContact O-N 2.85Å; N141-K143 PolarHBondContact O-N 3.45Å; N141-R144 PolarHBondContact O-N 3.04Å; N141-R144 VanDerWaalsContact O-N 3.13Å
142G51.5Low62.1Low54 Ų54127.7 Ų127.756%0.55762%0.615SS**Hα-helixtrans-57.2-19.3-167.600000113.9I140 S146I140-G142 PolarHBondContact O-N 2.91Å; G142-S146 PolarHBondContact O-N 3.49Å; G142-S146 PolarHBondContact O-OG 2.88Å; G142-S146 VanDerWaalsContact O-OG 3.12Å
143K54.3Low63.1Low186 Ų186129.6 Ų129.681%0.80962%0.617SS**Hα-helixtrans-68.7-32.9179.3-63.1-172.6179.4-1770114.4N141 S146 A147N141-K143 PolarHBondContact O-N 3.45Å; K143-S146 PolarHBondContact O-OG 2.92Å; K143-S146 VanDerWaalsContact O-OG 3.05Å; K143-A147 WeakPolarHBondContact O-CB 3.45Å; K143-A147 PolarHBondContact O-N 3.36Å
144R53.9Low64.5Low220 Ų220128.4 Ų128.483%0.8361%0.613SS**Hα-helixtrans-82.7-32-176.3-155.9174.4-170.9164.82.5112.7N141 R148N141-R144 PolarHBondContact O-N 3.04Å; N141-R144 VanDerWaalsContact O-N 3.13Å; R144-R148 PolarHBondContact O-N 2.98Å
145K54.5Low66Low116 Ų116132.8 Ų132.850%0.50462%0.623SS.*Hα-helixtrans-76.8-34.2176.3-69.8-160.1-173.8169.70112.4I140 K149I140-K145 HydrophobicContact CG2-CD 3.44Å; I140-K145 VanDerWaalsContact CG2-CD 3.44Å; I140-K145 HydrophobicContact CG2-CG 3.7Å; K145-K149 WeakPolarHBondContact O-CB 3.21Å; K145-K149 VanDerWaalsContact O-CG 3.3Å; K145-K149 WeakPolarHBondContact O-CG 3.47Å; K145-K149 PolarHBondContact O-N 3.45Å
146S60.8Low67.6Low57 Ų57130.2 Ų130.240%0.39962%0.617SS.*Hα-helixtrans-66.5-45.3173.857.40000111.7G142 K143 R148 K149 Q150G142-S146 PolarHBondContact O-N 3.49Å; G142-S146 PolarHBondContact O-OG 2.88Å; G142-S146 VanDerWaalsContact O-OG 3.12Å; K143-S146 PolarHBondContact O-OG 2.92Å; K143-S146 VanDerWaalsContact O-OG 3.05Å; S146-R148 PolarHBondContact O-N 3.36Å; S146-K149 PolarHBondContact O-N 3.09Å; S146-Q150 WeakPolarHBondContact O-CB 3.44Å; S146-Q150 PolarHBondContact O-N 3.13Å
147A68.4Low69.2Low42 Ų42127.1 Ų127.135%0.34760%0.603SS.*Hα-helixtrans-62.1-41.9177.800000112.9K143 K151K143-A147 WeakPolarHBondContact O-CB 3.45Å; K143-A147 PolarHBondContact O-N 3.36Å; A147-K151 WeakPolarHBondContact O-CB 3.38Å; A147-K151 WeakPolarHBondContact O-CG 3.35Å; A147-K151 PolarHBondContact O-N 3.27Å
148R72.5Confident70.9Confident186 Ų186123.4 Ų123.470%0.70259%0.586SS**Hα-helixtrans-68.5-37.7176.6-166.5179.2176.2174.2-0.3112R144 S146 M152R144-R148 PolarHBondContact O-N 2.98Å; S146-R148 PolarHBondContact O-N 3.36Å; R148-M152 HydrophobicContact CG-CE 4.24Å; R148-M152 WeakPolarHBondContact O-CG 3.31Å; R148-M152 PolarHBondContact O-N 3.32Å
149K75Confident72.7Confident147 Ų147123.4 Ų123.464%0.63959%0.585SS**Hα-helixtrans-66-44174.4-79.6-177.2174.8-170.90112K145 S146 K151 M152 F153K145-K149 WeakPolarHBondContact O-CB 3.21Å; K145-K149 VanDerWaalsContact O-CG 3.3Å; K145-K149 WeakPolarHBondContact O-CG 3.47Å; K145-K149 PolarHBondContact O-N 3.45Å; S146-K149 PolarHBondContact O-N 3.09Å; K149-K151 PolarHBondContact O-N 3.48Å; K149-M152 HydrophobicContact CG-CE 4.49Å; K149-M152 PolarHBondContact O-N 2.85Å; K149-F153 WeakPolarHBondContact O-CB 3.43Å; K149-F153 PolarHBondContact O-N 3.4Å
150Q75.3Confident74.3Confident128 Ų128122.4 Ų122.460%0.59858%0.576SS**Hα-helixtrans-60.9-43.4174.6-80.3177.6-20.200111.8S146 M152 F153 Q154S146-Q150 WeakPolarHBondContact O-CB 3.44Å; S146-Q150 PolarHBondContact O-N 3.13Å; Q150-M152 PolarHBondContact O-N 2.78Å; Q150-F153 PolarHBondContact O-N 2.96Å; Q150-Q154 WeakPolarHBondContact O-CB 3.22Å; Q150-Q154 WeakPolarHBondContact O-CG 3.46Å; Q150-Q154 PolarHBondContact O-N 3.35Å
151K86Confident75.7Confident140 Ų140125.9 Ų125.961%0.60958%0.584SS**Hα-helixtrans-62.1-39.3174.7-75.5-178.3179.5-172.40113A147 K149 R155A147-K151 WeakPolarHBondContact O-CB 3.38Å; A147-K151 WeakPolarHBondContact O-CG 3.35Å; A147-K151 PolarHBondContact O-N 3.27Å; K149-K151 PolarHBondContact O-N 3.48Å; K151-R155 WeakPolarHBondContact O-CB 3.49Å; K151-R155 WeakPolarHBondContact O-CG 3.31Å; K151-R155 PolarHBondContact O-N 3.48Å
152M87.8Confident77.1Confident108 Ų108126.6 Ų126.653%0.53258%0.576SS.*Hα-helixtrans-68.2-39.1174.9-75-170.9-73.900112R148 K149 Q150 R155 A156R148-M152 HydrophobicContact CG-CE 4.24Å; R148-M152 WeakPolarHBondContact O-CG 3.31Å; R148-M152 PolarHBondContact O-N 3.32Å; K149-M152 HydrophobicContact CG-CE 4.49Å; K149-M152 PolarHBondContact O-N 2.85Å; Q150-M152 PolarHBondContact O-N 2.78Å; M152-R155 PolarHBondContact O-N 2.8Å; M152-A156 WeakPolarHBondContact O-CB 3.46Å; M152-A156 PolarHBondContact O-N 3.22Å
153F84.3Confident78.6Confident130 Ų130126.9 Ų126.957%0.5757%0.573SS**Hα-helixtrans-65.2-44176.6-171.7-103.5000112K149 Q150 R155 A156 Q157K149-F153 WeakPolarHBondContact O-CB 3.43Å; K149-F153 PolarHBondContact O-N 3.4Å; Q150-F153 PolarHBondContact O-N 2.96Å; F153-R155 PolarHBondContact O-N 2.84Å; F153-A156 PolarHBondContact O-N 3.05Å; F153-Q157 HydrophobicContact CE1-CG 4.29Å; F153-Q157 WeakPolarHBondContact O-CG 3.36Å; F153-Q157 PolarHBondContact O-N 3.46Å
154Q87.2Confident79.8Confident121 Ų121122.2 Ų122.257%0.56555%0.554SS**Hα-helixtrans-60.3-44.4173-75.2175.7-14.100111.7Q150 A156 Q157 E158Q150-Q154 WeakPolarHBondContact O-CB 3.22Å; Q150-Q154 WeakPolarHBondContact O-CG 3.46Å; Q150-Q154 PolarHBondContact O-N 3.35Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-A156 PolarHBondContact O-N 3.32Å; Q154-Q157 PolarHBondContact O-N 3.2Å; Q154-E158 WeakPolarHBondContact O-CB 3.43Å; Q154-E158 PolarHBondContact O-N 3.43Å
155R90.5Very high81.1Confident194 Ų194115.4 Ų115.473%0.73253%0.534SS*.Hα-helixtrans-63.2-38175.4-78.9-177.3179.4-169.4-1.3113K151 M152 F153 E158 L159K151-R155 WeakPolarHBondContact O-CB 3.49Å; K151-R155 WeakPolarHBondContact O-CG 3.31Å; K151-R155 PolarHBondContact O-N 3.48Å; M152-R155 PolarHBondContact O-N 2.8Å; F153-R155 PolarHBondContact O-N 2.84Å; R155-E158 PolarHBondContact O-N 3.29Å; R155-L159 WeakPolarHBondContact O-CB 3.43Å; R155-L159 WeakPolarHBondContact O-CG 3.39Å; R155-L159 PolarHBondContact O-N 3.3Å
156A89.3Confident82Confident57 Ų57116.8 Ų116.847%0.47154%0.538SS..Hα-helixtrans-66.3-39.117600000111.6M152 F153 Q154 R160M152-A156 WeakPolarHBondContact O-CB 3.46Å; M152-A156 PolarHBondContact O-N 3.22Å; F153-A156 PolarHBondContact O-N 3.05Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-A156 PolarHBondContact O-N 3.32Å; A156-R160 WeakPolarHBondContact O-CB 3.44Å; A156-R160 PolarHBondContact O-N 3.42Å
157Q90.1Very high82.4Confident89 Ų89119.6 Ų119.642%0.41654%0.544SS..Hα-helixtrans-66.3-41.3174-74.4-174.1-23.400112.4F153 Q154 R160 R161F153-Q157 HydrophobicContact CE1-CG 4.29Å; F153-Q157 WeakPolarHBondContact O-CG 3.36Å; F153-Q157 PolarHBondContact O-N 3.46Å; Q154-Q157 PolarHBondContact O-N 3.2Å; Q157-R160 WeakPolarHBondContact O-CB 3.34Å; Q157-R160 PolarHBondContact O-N 2.78Å; Q157-R161 WeakPolarHBondContact O-CG 3.45Å; Q157-R161 PolarHBondContact O-N 3.18Å
158E90.4Very high82.4Confident86 Ų86122.1 Ų122.140%0.40255%0.547SS..Hα-helixtrans-60.1-46.5175-177.772.8-167.500111.5Q154 R155 R160 R161 R162Q154-E158 WeakPolarHBondContact O-CB 3.43Å; Q154-E158 PolarHBondContact O-N 3.43Å; R155-E158 PolarHBondContact O-N 3.29Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 3.38Å; E158-R161 PolarHBondContact O-N 3.13Å; E158-R162 WeakPolarHBondContact O-CG 3.44Å; E158-R162 PolarHBondContact O-N 2.88Å; E158-R162 IonicContact OE1-CZ 3.34Å; E158-R162 IonicContact OE1-NE 3.18Å; E158-R162 PolarHBondContact OE1-NE 3.04Å; E158-R162 IonicContact OE1-NH2 3.02Å; E158-R162 PolarHBondContact OE1-NH2 3.17Å
159L90.4Very high82.3Confident113 Ų113118.8 Ų118.859%0.59255%0.551SS**Hα-helixtrans-62.1-39176.1-74.4171.5000112.1R155 R162 A163R155-L159 WeakPolarHBondContact O-CB 3.43Å; R155-L159 WeakPolarHBondContact O-CG 3.39Å; R155-L159 PolarHBondContact O-N 3.3Å; L159-R162 PolarHBondContact O-N 2.95Å; L159-A163 WeakPolarHBondContact O-CB 3.45Å; L159-A163 PolarHBondContact O-N 3.38Å
160R85.9Confident82.1Confident173 Ų173118.3 Ų118.365%0.65355%0.549SS*.Hα-helixtrans-63.3-45.3175.7-174.9177.8175.1163.34.2111.7A156 Q157 E158 R162 A163 E164A156-R160 WeakPolarHBondContact O-CB 3.44Å; A156-R160 PolarHBondContact O-N 3.42Å; Q157-R160 WeakPolarHBondContact O-CB 3.34Å; Q157-R160 PolarHBondContact O-N 2.78Å; E158-R160 VanDerWaalsContact C-N 3.3Å; E158-R160 PolarHBondContact O-N 3.38Å; R160-R162 PolarHBondContact O-N 3.37Å; R160-A163 PolarHBondContact O-N 3.03Å; R160-E164 WeakPolarHBondContact CG-OE1 3.48Å; R160-E164 IonicContact NE-OE1 2.84Å; R160-E164 PolarHBondContact NE-OE1 3.42Å; R160-E164 WeakPolarHBondContact O-CG 3.3Å; R160-E164 PolarHBondContact O-N 3.05Å
161R86.1Confident81.7Confident159 Ų159113.6 Ų113.660%0.653%0.528SS*.Hα-helixtrans-60.5-43.7175.6-72.9179.7179.6177.5-1.4111.7Q157 E158 A163 E164 D165Q157-R161 WeakPolarHBondContact O-CG 3.45Å; Q157-R161 PolarHBondContact O-N 3.18Å; E158-R161 PolarHBondContact O-N 3.13Å; R161-A163 VanDerWaalsContact C-N 3.35Å; R161-A163 PolarHBondContact O-N 3.44Å; R161-E164 PolarHBondContact O-N 3.13Å; R161-D165 WeakPolarHBondContact O-CB 3.43Å; R161-D165 PolarHBondContact O-N 3.37Å
162R85.4Confident81Confident152 Ų152110.4 Ų110.457%0.57452%0.521SS*.Hα-helixtrans-63.3-38.3175.9-71.2-178.6-167.6174.72.8113.2E158 L159 R160 D165 Y166E158-R162 WeakPolarHBondContact O-CG 3.44Å; E158-R162 PolarHBondContact O-N 2.88Å; E158-R162 IonicContact OE1-CZ 3.34Å; E158-R162 IonicContact OE1-NE 3.18Å; E158-R162 PolarHBondContact OE1-NE 3.04Å; E158-R162 IonicContact OE1-NH2 3.02Å; E158-R162 PolarHBondContact OE1-NH2 3.17Å; L159-R162 PolarHBondContact O-N 2.95Å; R160-R162 PolarHBondContact O-N 3.37Å; R162-D165 PolarHBondContact O-N 3.1Å; R162-Y166 VanDerWaalsContact O-CB 3.27Å; R162-Y166 WeakPolarHBondContact O-CB 3.36Å; R162-Y166 PolarHBondContact O-N 3.05Å
163A82.1Confident80Confident60 Ų60110.2 Ų110.250%0.49653%0.528SS..Hα-helixtrans-66.6-41.7175.400000111.6L159 R160 R161 Y166 H167L159-A163 WeakPolarHBondContact O-CB 3.45Å; L159-A163 PolarHBondContact O-N 3.38Å; R160-A163 PolarHBondContact O-N 3.03Å; R161-A163 VanDerWaalsContact C-N 3.35Å; R161-A163 PolarHBondContact O-N 3.44Å; A163-Y166 PolarHBondContact O-N 3.26Å; A163-H167 WeakPolarHBondContact O-CB 3.46Å; A163-H167 PolarHBondContact O-N 3.37Å
164E79.8Confident79.1Confident88 Ų88108.4 Ų108.441%0.41153%0.532SS..Hα-helixtrans-63.6-41.6175-72.8172.4-165.500111.5R160 R161 H167 K168R160-E164 WeakPolarHBondContact CG-OE1 3.48Å; R160-E164 IonicContact NE-OE1 2.84Å; R160-E164 PolarHBondContact NE-OE1 3.42Å; R160-E164 WeakPolarHBondContact O-CG 3.3Å; R160-E164 PolarHBondContact O-N 3.05Å; R161-E164 PolarHBondContact O-N 3.13Å; E164-H167 PolarHBondContact O-N 2.9Å; E164-K168 VanDerWaalsContact O-CG 3.31Å; E164-K168 WeakPolarHBondContact O-CG 3.47Å; E164-K168 PolarHBondContact O-N 3.35Å
165D82.2Confident78.1Confident77 Ų77104.2 Ų104.241%0.41252%0.518SS..Hα-helixtrans-71.1-37.4177.7-69.2-21.6000112.3R161 R162 H167 K168 C169R161-D165 WeakPolarHBondContact O-CB 3.43Å; R161-D165 PolarHBondContact O-N 3.37Å; R162-D165 PolarHBondContact O-N 3.1Å; D165-H167 VanDerWaalsContact C-N 3.33Å; D165-H167 PolarHBondContact O-N 3.44Å; D165-K168 WeakPolarHBondContact O-CB 3.37Å; D165-K168 PolarHBondContact O-N 2.83Å; D165-K168 IonicContact OD1-NZ 3.46Å; D165-K168 PolarHBondContact OD1-NZ 3.24Å; D165-C169 PolarHBondContact O-N 3.12Å; D165-C169 PolarHBondContact O-SG 3.32Å
166Y73Confident77Confident146 Ų14699.3 Ų99.357%0.57350%0.499SS*.Hα-helixtrans-60.3-42.5170.6-178-99.2000112R162 A163 K168 C169 K170R162-Y166 VanDerWaalsContact O-CB 3.27Å; R162-Y166 WeakPolarHBondContact O-CB 3.36Å; R162-Y166 PolarHBondContact O-N 3.05Å; A163-Y166 PolarHBondContact O-N 3.26Å; Y166-K168 VanDerWaalsContact C-N 3.34Å; Y166-C169 PolarHBondContact O-N 2.91Å; Y166-K170 HydrophobicContact CD1-CD 4.3Å; Y166-K170 HydrophobicContact CE1-CD 3.57Å; Y166-K170 HydrophobicContact CE1-CG 4.28Å; Y166-K170 HydrophobicContact CE2-CD 4.42Å; Y166-K170 WeakPolarHBondContact O-CB 3.35Å; Y166-K170 PolarHBondContact O-N 3.23Å; Y166-K170 WeakPolarHBondContact OH-CE 3.47Å; Y166-K170 PolarHBondContact OH-NZ 2.89Å
167H69.7Low76.1Confident116 Ų116104 Ų10454%0.53751%0.509SS..Hα-helixtrans-65.7-37.9175.7-171.372.7000111.9A163 E164 D165 I171A163-H167 WeakPolarHBondContact O-CB 3.46Å; A163-H167 PolarHBondContact O-N 3.37Å; E164-H167 PolarHBondContact O-N 2.9Å; D165-H167 VanDerWaalsContact C-N 3.33Å; D165-H167 PolarHBondContact O-N 3.44Å; H167-I171 WeakPolarHBondContact CE1-CD1 3.48Å; H167-I171 WeakPolarHBondContact NE2-CD1 3Å; H167-I171 PolarHBondContact O-N 3.25Å
168K67.7Low75.1Confident94 Ų94102.7 Ų102.741%0.40951%0.514SS..Hα-helixtrans-62.4-48.7171.7-72.2172.4-166.2160.90111E164 D165 Y166 K170 I171 R176E164-K168 VanDerWaalsContact O-CG 3.31Å; E164-K168 WeakPolarHBondContact O-CG 3.47Å; E164-K168 PolarHBondContact O-N 3.35Å; D165-K168 WeakPolarHBondContact O-CB 3.37Å; D165-K168 PolarHBondContact O-N 2.83Å; D165-K168 IonicContact OD1-NZ 3.46Å; D165-K168 PolarHBondContact OD1-NZ 3.24Å; Y166-K168 VanDerWaalsContact C-N 3.34Å; K168-K170 VanDerWaalsContact C-N 3.3Å; K168-K170 PolarHBondContact O-N 3.18Å; K168-I171 PolarHBondContact O-N 2.86Å; K168-I171 VanDerWaalsContact O-O 3.07Å; K168-R176 VanDerWaalsContact CB-NH2 3.31Å; K168-R176 PolarHBondContact O-NH2 3.49Å
169C69.3Low74.1Confident116 Ų116102.8 Ų102.878%0.78452%0.517SS*.Hα-helixtrans-68.6-27.6-177.3-65.40000113.3D165 Y166D165-C169 PolarHBondContact O-N 3.12Å; D165-C169 PolarHBondContact O-SG 3.32Å; Y166-C169 PolarHBondContact O-N 2.91Å
170K70.9Confident73Confident137 Ų137101.3 Ų101.360%0.59652%0.515SS*.Hα-helixtrans-81.2-25.2177.4-87.9-161.3163.8-176.90115Y166 K168Y166-K170 HydrophobicContact CD1-CD 4.3Å; Y166-K170 HydrophobicContact CE1-CD 3.57Å; Y166-K170 HydrophobicContact CE1-CG 4.28Å; Y166-K170 HydrophobicContact CE2-CD 4.42Å; Y166-K170 WeakPolarHBondContact O-CB 3.35Å; Y166-K170 PolarHBondContact O-N 3.23Å; Y166-K170 WeakPolarHBondContact OH-CE 3.47Å; Y166-K170 PolarHBondContact OH-NZ 2.89Å; K168-K170 VanDerWaalsContact C-N 3.3Å; K168-K170 PolarHBondContact O-N 3.18Å
171I67Low72.4Confident29 Ų2997.2 Ų97.215%0.14951%0.506CS..SBendtrans-107.4113.7-177.9-53.9-174.5000109.7H167 K168 A175 R176 L179H167-I171 WeakPolarHBondContact CE1-CD1 3.48Å; H167-I171 WeakPolarHBondContact NE2-CD1 3Å; H167-I171 PolarHBondContact O-N 3.25Å; K168-I171 PolarHBondContact O-N 2.86Å; K168-I171 VanDerWaalsContact O-O 3.07Å; I171-A175 HydrophobicContact CG2-CB 3.74Å; I171-R176 HydrophobicContact CB-CG 4Å; I171-R176 HydrophobicContact CG2-CB 4.48Å; I171-R176 HydrophobicContact CG2-CG 3.49Å; I171-R176 VanDerWaalsContact CG2-CG 3.49Å; I171-R176 PolarHBondContact O-NE 3.3Å; I171-R176 VanDerWaalsContact O-NE 3.11Å; I171-R176 PolarHBondContact O-NH2 2.85Å; I171-L179 HydrophobicContact CD1-CD1 4.42Å
172P71.8Confident71.8Confident73 Ų7398.1 Ų98.147%0.47451%0.509SS..  trans-59.3145.7177.521.7-29.1000110.3S174 A175 R176P172-S174 PolarHBondContact O-N 3.47Å; P172-A175 HydrophobicContact CG-CB 3.87Å; P172-A175 PolarHBondContact O-N 3.35Å; P172-R176 PolarHBondContact O-N 2.88Å
173P66.9Low71.1Confident105 Ų10594.8 Ų94.868%0.68251%0.506SS*.Hα-helixtrans-52.5-33.7-175-28.134.6000114.2R176 K177P173-R176 PolarHBondContact O-N 2.78Å; P173-K177 PolarHBondContact O-N 3.25Å
174S66Low70.6Confident91 Ų91101 Ų10164%0.63652%0.516SS*.Hα-helixtrans-64-43.4175.752.90000113P172 R176 K177 A178P172-S174 PolarHBondContact O-N 3.47Å; S174-R176 VanDerWaalsContact C-N 3.33Å; S174-R176 PolarHBondContact O-N 2.98Å; S174-K177 PolarHBondContact O-N 3.43Å; S174-A178 PolarHBondContact O-N 3.01Å
175A66.3Low70Confident34 Ų34102.7 Ų102.728%0.28153%0.526SS..Hα-helixtrans-70.7-28179.100000112.6I171 P172 A178 L179I171-A175 HydrophobicContact CG2-CB 3.74Å; P172-A175 HydrophobicContact CG-CB 3.87Å; P172-A175 PolarHBondContact O-N 3.35Å; A175-A178 PolarHBondContact O-N 2.98Å; A175-L179 WeakPolarHBondContact O-CB 3.39Å; A175-L179 PolarHBondContact O-N 3.01Å
176R67.6Low69.1Low91 Ų91100.5 Ų100.534%0.34352%0.518SS..Hα-helixtrans-65.1-39172.8-60.5-169.7-157.6158.212.4112.1K168 I171 P172 P173 S174 L179 C180K168-R176 VanDerWaalsContact CB-NH2 3.31Å; K168-R176 PolarHBondContact O-NH2 3.49Å; I171-R176 HydrophobicContact CB-CG 4Å; I171-R176 HydrophobicContact CG2-CB 4.48Å; I171-R176 HydrophobicContact CG2-CG 3.49Å; I171-R176 VanDerWaalsContact CG2-CG 3.49Å; I171-R176 PolarHBondContact O-NE 3.3Å; I171-R176 VanDerWaalsContact O-NE 3.11Å; I171-R176 PolarHBondContact O-NH2 2.85Å; P172-R176 PolarHBondContact O-N 2.88Å; P173-R176 PolarHBondContact O-N 2.78Å; S174-R176 VanDerWaalsContact C-N 3.33Å; S174-R176 PolarHBondContact O-N 2.98Å; R176-L179 PolarHBondContact O-N 3.49Å; R176-C180 WeakPolarHBondContact O-CB 3.32Å; R176-C180 PolarHBondContact O-N 2.87Å; R176-C180 PolarHBondContact O-SG 3.45Å; R176-C180 VanDerWaalsContact O-SG 3.37Å
177K69.3Low68.5Low154 Ų15495.7 Ų95.767%0.6751%0.509SS*.Hα-helixtrans-66.9-40.6178.5-158175.2-175-178.80111P173 S174 N181P173-K177 PolarHBondContact O-N 3.25Å; S174-K177 PolarHBondContact O-N 3.43Å; K177-N181 WeakPolarHBondContact O-CB 3.5Å; K177-N181 VanDerWaalsContact O-CG 3.26Å; K177-N181 PolarHBondContact O-N 3.46Å
178A69.9Low68.1Low62 Ų6291.6 Ų91.651%0.51250%0.495SS..Hα-helixtrans-63.6-44.5173.100000112.4S174 A175 N181 W182S174-A178 PolarHBondContact O-N 3.01Å; A175-A178 PolarHBondContact O-N 2.98Å; A178-N181 PolarHBondContact O-N 3.35Å; A178-W182 WeakPolarHBondContact O-CB 3.39Å; A178-W182 PolarHBondContact O-N 3.25Å
179L68.7Low67.5Low89 Ų8994 Ų9447%0.46651%0.507SS..Hα-helixtrans-62.9-45.2175.9-109139.5000112.6I171 A175 R176 N181 W182 V183I171-L179 HydrophobicContact CD1-CD1 4.42Å; A175-L179 WeakPolarHBondContact O-CB 3.39Å; A175-L179 PolarHBondContact O-N 3.01Å; R176-L179 PolarHBondContact O-N 3.49Å; L179-N181 VanDerWaalsContact C-N 3.33Å; L179-N181 PolarHBondContact O-N 2.97Å; L179-W182 PolarHBondContact O-N 2.94Å; L179-V183 WeakPolarHBondContact O-CB 3.43Å; L179-V183 VanDerWaalsContact O-CG2 3.31Å; L179-V183 WeakPolarHBondContact O-CG2 3.38Å; L179-V183 PolarHBondContact O-N 2.95Å
180C67.6Low66.7Low82 Ų8295.5 Ų95.555%0.55450%0.503SS*.Hα-helixtrans-64.3-37.9176.6-750000112.3R176 R184R176-C180 WeakPolarHBondContact O-CB 3.32Å; R176-C180 PolarHBondContact O-N 2.87Å; R176-C180 PolarHBondContact O-SG 3.45Å; R176-C180 VanDerWaalsContact O-SG 3.37Å; C180-R184 WeakPolarHBondContact O-CB 3.47Å; C180-R184 WeakPolarHBondContact O-CG 3.48Å; C180-R184 PolarHBondContact O-N 2.98Å
181N73Confident65.7Low87 Ų8797.8 Ų97.847%0.46551%0.508SS..Hα-helixtrans-68-41.5174.6-76.5-7.1000111.3K177 A178 L179 R184 M185K177-N181 WeakPolarHBondContact O-CB 3.5Å; K177-N181 VanDerWaalsContact O-CG 3.26Å; K177-N181 PolarHBondContact O-N 3.46Å; A178-N181 PolarHBondContact O-N 3.35Å; L179-N181 VanDerWaalsContact C-N 3.33Å; L179-N181 PolarHBondContact O-N 2.97Å; N181-R184 PolarHBondContact O-N 2.96Å; N181-M185 WeakPolarHBondContact O-CB 3.46Å; N181-M185 VanDerWaalsContact O-CG 3.31Å; N181-M185 WeakPolarHBondContact O-CG 3.49Å; N181-M185 PolarHBondContact O-N 3.47Å
182W73Confident64.9Low178 Ų178104.3 Ų104.367%0.67454%0.537SS*.Hα-helixtrans-64.3-44.7176.2-177.177.6000112.2A178 L179 R184 M185 A186A178-W182 WeakPolarHBondContact O-CB 3.39Å; A178-W182 PolarHBondContact O-N 3.25Å; L179-W182 PolarHBondContact O-N 2.94Å; W182-R184 VanDerWaalsContact C-N 3.3Å; W182-R184 PolarHBondContact O-N 3.46Å; W182-M185 PolarHBondContact O-N 3.43Å; W182-A186 WeakPolarHBondContact O-CB 3.44Å; W182-A186 PolarHBondContact O-N 3.25Å
183V72.6Confident64Low82 Ų82106.1 Ų106.150%0.49755%0.552SS.*Hα-helixtrans-62.4-38.1174.6171.50000111.3L179 A187L179-V183 WeakPolarHBondContact O-CB 3.43Å; L179-V183 VanDerWaalsContact O-CG2 3.31Å; L179-V183 WeakPolarHBondContact O-CG2 3.38Å; L179-V183 PolarHBondContact O-N 2.95Å; V183-A187 VanDerWaalsContact O-CB 3.22Å; V183-A187 WeakPolarHBondContact O-CB 3.46Å; V183-A187 PolarHBondContact O-N 3.28Å
184R70.2Confident63.4Low191 Ų191104.1 Ų104.172%0.72154%0.54SS*.Hα-helixtrans-65.8-42173.7-87.9-177.9142.5166.8-5.1112.8C180 N181 W182 A187 A188C180-R184 WeakPolarHBondContact O-CB 3.47Å; C180-R184 WeakPolarHBondContact O-CG 3.48Å; C180-R184 PolarHBondContact O-N 2.98Å; N181-R184 PolarHBondContact O-N 2.96Å; W182-R184 VanDerWaalsContact C-N 3.3Å; W182-R184 PolarHBondContact O-N 3.46Å; R184-A187 PolarHBondContact O-N 3.42Å; R184-A188 WeakPolarHBondContact O-CB 3.48Å; R184-A188 PolarHBondContact O-N 3.03Å
185M66.6Low62.8Low123 Ų123103.3 Ų103.361%0.60655%0.546SS*.Hα-helixtrans-66.4-47.1176.8-74.8-60.2-60.600111.2N181 W182 A187 A188 E189N181-M185 WeakPolarHBondContact O-CB 3.46Å; N181-M185 VanDerWaalsContact O-CG 3.31Å; N181-M185 WeakPolarHBondContact O-CG 3.49Å; N181-M185 PolarHBondContact O-N 3.47Å; W182-M185 PolarHBondContact O-N 3.43Å; M185-A187 VanDerWaalsContact C-N 3.29Å; M185-A187 PolarHBondContact O-N 3.27Å; M185-A188 CarbonylContact O-C 3.52Å; M185-A188 WeakPolarHBondContact O-CA 3.31Å; M185-A188 WeakPolarHBondContact O-CB 3.48Å; M185-A188 PolarHBondContact O-N 3.4Å; M185-E189 VanDerWaalsContact O-CB 3.3Å; M185-E189 WeakPolarHBondContact O-CB 3.45Å; M185-E189 PolarHBondContact O-N 2.98Å
186A64.1Low62.1Low30 Ų30108.3 Ų108.325%0.24857%0.568CS.*Hα-helixtrans-61.3-37.9176.300000112W182 H190W182-A186 WeakPolarHBondContact O-CB 3.44Å; W182-A186 PolarHBondContact O-N 3.25Å; A186-H190 WeakPolarHBondContact O-CB 3.44Å; A186-H190 PolarHBondContact O-N 3.22Å
187A60.5Low61Low46 Ų46109.1 Ų109.138%0.3858%0.584SS.*Hα-helixtrans-69.4-33.6173.100000112.6V183 R184 M185 R191V183-A187 VanDerWaalsContact O-CB 3.22Å; V183-A187 WeakPolarHBondContact O-CB 3.46Å; V183-A187 PolarHBondContact O-N 3.28Å; R184-A187 PolarHBondContact O-N 3.42Å; M185-A187 VanDerWaalsContact C-N 3.29Å; M185-A187 PolarHBondContact O-N 3.27Å; A187-R191 WeakPolarHBondContact O-CG 3.18Å; A187-R191 PolarHBondContact O-N 2.91Å
188A60.7Low59.7Low30 Ų30111 Ų11125%0.24859%0.589CS.*Hα-helixtrans-72.2-37.4173.600000112.2R184 M185 R191 H192R184-A188 WeakPolarHBondContact O-CB 3.48Å; R184-A188 PolarHBondContact O-N 3.03Å; M185-A188 CarbonylContact O-C 3.52Å; M185-A188 WeakPolarHBondContact O-CA 3.31Å; M185-A188 WeakPolarHBondContact O-CB 3.48Å; M185-A188 PolarHBondContact O-N 3.4Å; A188-R191 WeakPolarHBondContact O-CA 3.34Å; A188-R191 VanDerWaalsContact O-CB 3.29Å; A188-R191 WeakPolarHBondContact O-CB 3.4Å; A188-R191 PolarHBondContact O-N 3.24Å; A188-R191 VanDerWaalsContact O-N 3.09Å; A188-H192 PolarHBondContact O-CD2 3.45Å; A188-H192 PolarHBondContact O-N 3.47Å
189E55.9Low58.5Low143 Ų143119 Ų11967%0.66861%0.606SS**Hα-helixtrans-69.2-41.2177.6-164.8167.5-168.300111M185 R191 H192 S193M185-E189 VanDerWaalsContact O-CB 3.3Å; M185-E189 WeakPolarHBondContact O-CB 3.45Å; M185-E189 PolarHBondContact O-N 2.98Å; E189-R191 PolarHBondContact O-N 2.9Å; E189-H192 PolarHBondContact O-N 3.26Å; E189-S193 PolarHBondContact O-N 2.97Å
190H51.7Low57.6Low149 Ų149117.9 Ų117.969%0.6960%0.604SS**Hα-helixtrans-60.5-30.4167.8-107.2-72.6000113.2A186 S194A186-H190 WeakPolarHBondContact O-CB 3.44Å; A186-H190 PolarHBondContact O-N 3.22Å; H190-S194 PolarHBondContact O-N 2.94Å; H190-S194 PolarHBondContact O-OG 3.45Å
191R49.7Very low56.5Low185 Ų185124.7 Ų124.770%0.69862%0.62SS**Hα-helixtrans-72.6-29.8177.5-76.7168.3-174.2178.3-1.5113.5A187 A188 E189A187-R191 WeakPolarHBondContact O-CG 3.18Å; A187-R191 PolarHBondContact O-N 2.91Å; A188-R191 WeakPolarHBondContact O-CA 3.34Å; A188-R191 VanDerWaalsContact O-CB 3.29Å; A188-R191 WeakPolarHBondContact O-CB 3.4Å; A188-R191 PolarHBondContact O-N 3.24Å; A188-R191 VanDerWaalsContact O-N 3.09Å; E189-R191 PolarHBondContact O-N 2.9Å
192H50.7Low55.3Low165 Ų165124.8 Ų124.876%0.76462%0.62SS**Hα-helixtrans-81.8-25.4178.9-70.5-63.6000112.9A188 E189A188-H192 PolarHBondContact O-CD2 3.45Å; A188-H192 PolarHBondContact O-N 3.47Å; E189-H192 PolarHBondContact O-N 3.26Å
193S52.6Low54.5Low112 Ų112120.6 Ų120.678%0.78361%0.614SS**Hα-helixtrans-87.4-19.7-179.6-156.90000113.8E189E189-S193 PolarHBondContact O-N 2.97Å
194S54.7Low53.6Low62 Ų62120.7 Ų120.743%0.43462%0.623SS.*SBendtrans-87.2-10.4-173.660.80000116H190 L196H190-S194 PolarHBondContact O-N 2.94Å; H190-S194 PolarHBondContact O-OG 3.45Å; S194-L196 WeakPolarHBondContact O-CG 3.46Å; S194-L196 PolarHBondContact O-N 3.39Å
195G54.8Low52.7Low75 Ų75118.3 Ų118.377%0.77362%0.62SS**  trans56.311.317500000116.8
196L50.3Low52Low139 Ų139115.1 Ų115.173%0.72861%0.608SS**  trans-92.6133.3-172.8-82.1164.1000111.2S194 Y198S194-L196 WeakPolarHBondContact O-CG 3.46Å; S194-L196 PolarHBondContact O-N 3.39Å; L196-Y198 PolarHBondContact O-N 3.3Å
197P44.5Very low51.6Low107 Ų107118 Ų11870%0.69562%0.619SS**  trans-64.6134.9178.924.6-30.6000110.9W199P197-W199 PolarHBondContact O-N 3.31Å; P197-W199 VanDerWaalsContact O-N 3.15Å
198Y42.8Very low51.3Low193 Ų193123.3 Ų123.376%0.75763%0.633SS**  trans-55.4110.7179.9173.3-106.9000111.8L196 P200L196-Y198 PolarHBondContact O-N 3.3Å; Y198-P200 HydrophobicContact CD1-CG 4.18Å; Y198-P200 HydrophobicContact CE1-CB 3.64Å; Y198-P200 HydrophobicContact CE1-CG 3.6Å; Y198-P200 HydrophobicContact CE2-CB 4.39Å; Y198-P200 WeakPolarHBondContact OH-CB 3.27Å
199W45.1Very low51.2Low230 Ų230127 Ų12787%0.87165%0.649SS**  trans-96.6108.7156.7-87.488.8000108P197 Y201P197-W199 PolarHBondContact O-N 3.31Å; P197-W199 VanDerWaalsContact O-N 3.15Å; W199-Y201 PolarHBondContact O-N 3.37Å; W199-Y201 VanDerWaalsContact O-N 3.11Å
200P48.2Very low51.2Low67 Ų67129.1 Ų129.144%0.43565%0.651SS.*  trans-59.6122.6173.413-14000107.9Y198 L202Y198-P200 HydrophobicContact CD1-CG 4.18Å; Y198-P200 HydrophobicContact CE1-CB 3.64Å; Y198-P200 HydrophobicContact CE1-CG 3.6Å; Y198-P200 HydrophobicContact CE2-CB 4.39Å; Y198-P200 WeakPolarHBondContact OH-CB 3.27Å; P200-L202 PolarHBondContact O-N 3.45Å
201Y45.4Very low51.3Low224 Ų224129 Ų12988%0.87865%0.652SS**  trans-49.7110.2162.2-138.4-95.3000106.2W199 T203W199-Y201 PolarHBondContact O-N 3.37Å; W199-Y201 VanDerWaalsContact O-N 3.11Å; Y201-T203 PolarHBondContact O-N 2.85Å
202L48.1Very low51.5Low89 Ų89123.2 Ų123.247%0.46665%0.65SS.*  trans-54.2109.3173.3-82.6158.3000106.5P200 T206P200-L202 PolarHBondContact O-N 3.45Å; L202-T206 HydrophobicContact CD2-CG2 3.57Å
203T56.6Low51.7Low91 Ų91123 Ų12356%0.55865%0.649SS**  trans-54.4143.7176.9-25.10000107.5Y201 E205 T206 L207Y201-T203 PolarHBondContact O-N 2.85Å; T203-E205 PolarHBondContact O-N 3.29Å; T203-T206 PolarHBondContact O-N 3.33Å; T203-T206 PolarHBondContact O-OG1 2.85Å; T203-L207 PolarHBondContact O-N 2.96Å
204A52.3Low52Low83 Ų83126.3 Ų126.369%0.68665%0.652SS**Hα-helixtrans-52.9-26.7-179.500000112.6L207 K208A204-L207 PolarHBondContact O-N 2.86Å; A204-K208 WeakPolarHBondContact O-CB 3.47Å; A204-K208 PolarHBondContact O-N 2.84Å
205E52.3Low52.2Low142 Ų142128.7 Ų128.766%0.66467%0.666SS**Hα-helixtrans-52.7-48.1167.9-131.894.2-144.400113.4T203 K208 N209T203-E205 PolarHBondContact O-N 3.29Å; E205-K208 PolarHBondContact O-N 2.62Å; E205-N209 PolarHBondContact O-N 3.17Å; E205-N209 VanDerWaalsContact O-N 3.13Å
206T51.5Low52.5Low55 Ų55130.6 Ų130.634%0.33767%0.665SS.*Hα-helixtrans-72.6-32.7-175.7-29.50000111.8L202 T203 R210L202-T206 HydrophobicContact CD2-CG2 3.57Å; T203-T206 PolarHBondContact O-N 3.33Å; T203-T206 PolarHBondContact O-OG1 2.85Å; T206-R210 PolarHBondContact O-N 3.48Å
207L54.8Low53Low91 Ų91129.3 Ų129.348%0.47667%0.665SS.*Hα-helixtrans-70.7-35.9174.2-121.2153.5000111.4T203 A204 R210 M211T203-L207 PolarHBondContact O-N 2.96Å; A204-L207 PolarHBondContact O-N 2.86Å; L207-R210 PolarHBondContact O-N 3.41Å; L207-M211 HydrophobicContact CB-CE 4.46Å; L207-M211 HydrophobicContact CD2-CE 3.65Å; L207-M211 WeakPolarHBondContact O-CE 3.46Å; L207-M211 PolarHBondContact O-N 3.36Å
208K55.5Low53.3Low157 Ų157130 Ų13068%0.68367%0.669SS**Hα-helixtrans-67.6-40176.5-164.6-179.6174.7-170.60112.2A204 E205 R210 M211 G212A204-K208 WeakPolarHBondContact O-CB 3.47Å; A204-K208 PolarHBondContact O-N 2.84Å; E205-K208 PolarHBondContact O-N 2.62Å; K208-R210 VanDerWaalsContact C-N 3.3Å; K208-R210 PolarHBondContact O-N 3.05Å; K208-M211 PolarHBondContact O-N 3.41Å; K208-G212 PolarHBondContact O-N 3.22Å
209N57.3Low53.9Low108 Ų108127.3 Ų127.358%0.57867%0.673SS**Hα-helixtrans-68.9-26.9177.6-67.4-16.2000113.2E205 H213E205-N209 PolarHBondContact O-N 3.17Å; E205-N209 VanDerWaalsContact O-N 3.13Å; N209-H213 PolarHBondContact O-ND1 2.95Å
210R56.4Low54.2Low188 Ų188125.4 Ų125.471%0.70967%0.674SS**Hα-helixtrans-80.1-29.8174.7-76-172176.7-176.1-0.4114T206 L207 K208 G212T206-R210 PolarHBondContact O-N 3.48Å; L207-R210 PolarHBondContact O-N 3.41Å; K208-R210 VanDerWaalsContact C-N 3.3Å; K208-R210 PolarHBondContact O-N 3.05Å; R210-G212 VanDerWaalsContact C-N 3.32Å
211M54.1Low54.4Low146 Ų146134.7 Ų134.772%0.71971%0.712SS**Hα-helixtrans-80.5-10.4176.4-77.5-174.9-78.100113.9L207 K208L207-M211 HydrophobicContact CB-CE 4.46Å; L207-M211 HydrophobicContact CD2-CE 3.65Å; L207-M211 WeakPolarHBondContact O-CE 3.46Å; L207-M211 PolarHBondContact O-N 3.36Å; K208-M211 PolarHBondContact O-N 3.41Å
212G52.7Low54.9Low64 Ų64130.3 Ų130.366%0.6670%0.703SS**THydrogen-bonded Turntrans-88.3-5.9-179.200000116K208 R210K208-G212 PolarHBondContact O-N 3.22Å; R210-G212 VanDerWaalsContact C-N 3.32Å
213H55.6Low55.2Low160 Ų160132.4 Ų132.474%0.74172%0.716SS**  trans-94.9109.3178.4-75.176.7000110N209N209-H213 PolarHBondContact O-ND1 2.95Å
214Q58.2Low55.1Low181 Ų181134.7 Ų134.785%0.84673%0.725SS**PPolyproline II helixtrans-65.9140.1162.9-82-168.4-5.900109.3
215P58.9Low55.3Low112 Ų112137.8 Ų137.873%0.72773%0.727SS**PPolyproline II helixtrans-64.1142.7168.927-31.2000109.6
216P61Low55.5Low116 Ų116137.5 Ų137.575%0.75373%0.731SS**PPolyproline II helixtrans-62.2146.2179.126-32.9000110.6
217P62.7Low55.8Low111 Ų111143 Ų14372%0.72176%0.757SS**PPolyproline II helixtrans-64.8146-178.526.3-32.9000111T219P217-T219 PolarHBondContact O-N 3.11Å
218P49.7Very low55.8Low122 Ų122146.7 Ų146.779%0.79278%0.777SS**PPolyproline II helixtrans-65.1125.6-179.826.2-32.4000110.3Q220P218-Q220 PolarHBondContact O-N 3.28Å
219T55.3Low55.9Low136 Ų136145.9 Ų145.983%0.83478%0.784SS**PPolyproline II helixtrans-63.5120.6172.6-410000108.7P217P217-T219 PolarHBondContact O-N 3.11Å
220Q52.7Low55.7Low190 Ų190149.1 Ų149.189%0.88880%0.802SS**PPolyproline II helixtrans-74.2127.9170.1-68.6-155.50.400109.2P218P218-Q220 PolarHBondContact O-N 3.28Å
221Q51.7Low55.7Low263 Ų263145.5 Ų145.5100%1.22981%0.81SS**  trans-97.90158.9-74.9-173.7-23.700108.4

Retrieved 221 of 221 residues in 54.1 ms (Link to these results)