A0A067ZUL3_HUMAN Loading...

Nuclear pore complex-interacting protein

AlphaFold DB , UniProt , Accession A0A067ZUL3, 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
1C52.4Low64.1Low139 Ų139130.4 Ų130.494%0.93965%0.652SS**  0127.40-66.90000110.1C3 E4C1-C3 PolarHBondContact O-N 3.49Å; C1-E4 PolarHBondContact O-N 3.16Å; C1-E4 VanDerWaalsContact O-N 3.15Å
2P54.4Low63.7Low108 Ų108126.1 Ų126.170%0.70164%0.638SS**Hα-helixtrans-59.3-19.7-176.722.1-31.9000113.9E4 L6P2-E4 PolarHBondContact O-N 3.49Å; P2-L6 PolarHBondContact O-N 3.15Å
3C56.7Low63.2Low97 Ų97122.9 Ų122.966%0.65562%0.623SS**Hα-helixtrans-68.1-28.5177.9-51.90000114C1 R7C1-C3 PolarHBondContact O-N 3.49Å; C3-R7 PolarHBondContact O-N 3.35Å
4E66.5Low62.8Low135 Ų135118.1 Ų118.163%0.63161%0.611SS**Hα-helixtrans-77.4-34.3-176.8-138.1-170.5162.400111.9C1 P2 R7 K8C1-E4 PolarHBondContact O-N 3.16Å; C1-E4 VanDerWaalsContact O-N 3.15Å; P2-E4 PolarHBondContact O-N 3.49Å; E4-R7 PolarHBondContact O-N 3.22Å; E4-K8 PolarHBondContact O-N 3.44Å; E4-K8 VanDerWaalsContact O-N 3.11Å
5Y61.1Low62.1Low187 Ų187116.5 Ų116.573%0.73360%0.604SS**Hα-helixtrans-70.1-41.7177.1-154.1-91.9000111.5R7 K8 F9Y5-R7 VanDerWaalsContact C-N 3.34Å; Y5-R7 PolarHBondContact O-N 3.48Å; Y5-K8 PolarHBondContact O-N 3.13Å; Y5-F9 WeakPolarHBondContact O-CB 3.23Å; Y5-F9 PolarHBondContact O-N 2.87Å
6L65.1Low61.5Low108 Ų108117.9 Ų117.957%0.56561%0.607SS**Hα-helixtrans-62.5-39.5174.2-106.6142000112.2P2 F9 I10P2-L6 PolarHBondContact O-N 3.15Å; L6-F9 PolarHBondContact O-N 2.94Å; L6-I10 HydrophobicContact CD2-CD1 4.23Å; L6-I10 WeakPolarHBondContact O-CB 3.25Å; L6-I10 WeakPolarHBondContact O-CD1 3.35Å; L6-I10 VanDerWaalsContact O-CG1 3.24Å; L6-I10 WeakPolarHBondContact O-CG1 3.08Å; L6-I10 PolarHBondContact O-N 3.45Å
7R70.8Confident61Low187 Ų187120.7 Ų120.771%0.70662%0.616SS**Hα-helixtrans-67.6-41177.9-155.4178.2-142.6-164.35112.3C3 E4 Y5 N11C3-R7 PolarHBondContact O-N 3.35Å; E4-R7 PolarHBondContact O-N 3.22Å; Y5-R7 VanDerWaalsContact C-N 3.34Å; Y5-R7 PolarHBondContact O-N 3.48Å; R7-N11 WeakPolarHBondContact O-CB 3.23Å; R7-N11 PolarHBondContact O-N 3.27Å; R7-N11 PolarHBondContact O-ND2 3.41Å
8K72.4Confident60.2Low145 Ų145123.6 Ų123.663%0.6363%0.626SS**Hα-helixtrans-62.4-43.2171.9-91.7178.7175.8172.40111.6E4 Y5 N11 T12E4-K8 PolarHBondContact O-N 3.44Å; E4-K8 VanDerWaalsContact O-N 3.11Å; Y5-K8 PolarHBondContact O-N 3.13Å; K8-N11 PolarHBondContact O-N 2.98Å; K8-T12 WeakPolarHBondContact O-CB 3.5Å; K8-T12 PolarHBondContact O-N 3.34Å; K8-T12 PolarHBondContact O-OG1 3.2Å
9F72Confident59.6Low126 Ų126127.9 Ų127.955%0.55363%0.634SS**Hα-helixtrans-63.5-46179.4-165.9-102.6000112.2Y5 L6 N11 T12 L13Y5-F9 WeakPolarHBondContact O-CB 3.23Å; Y5-F9 PolarHBondContact O-N 2.87Å; L6-F9 PolarHBondContact O-N 2.94Å; F9-N11 PolarHBondContact O-N 3.41Å; F9-T12 PolarHBondContact O-N 3.45Å; F9-L13 HydrophobicContact CD1-CD1 3.73Å; F9-L13 HydrophobicContact CE1-CD1 3.24Å; F9-L13 HydrophobicContact CE2-CD1 4.49Å; F9-L13 HydrophobicContact CZ-CD1 3.69Å; F9-L13 WeakPolarHBondContact O-CB 3.38Å; F9-L13 PolarHBondContact O-N 3.04Å
10I70.3Confident58.8Low98 Ų98123.8 Ų123.850%0.50363%0.626SS.*Hα-helixtrans-64-41.9177.7-66.6165.1000111.2L6 T12 L13 A14L6-I10 HydrophobicContact CD2-CD1 4.23Å; L6-I10 WeakPolarHBondContact O-CB 3.25Å; L6-I10 WeakPolarHBondContact O-CD1 3.35Å; L6-I10 VanDerWaalsContact O-CG1 3.24Å; L6-I10 WeakPolarHBondContact O-CG1 3.08Å; L6-I10 PolarHBondContact O-N 3.45Å; I10-T12 VanDerWaalsContact C-N 3.34Å; I10-T12 PolarHBondContact O-N 3.42Å; I10-L13 PolarHBondContact O-N 3.34Å; I10-A14 WeakPolarHBondContact O-CB 3.31Å; I10-A14 PolarHBondContact O-N 3.43Å
11N63.6Low58.4Low104 Ų104124.9 Ų124.956%0.55664%0.639SS**Hα-helixtrans-67.6-34.8177.8-72-12.1000112.2R7 K8 F9 D15R7-N11 WeakPolarHBondContact O-CB 3.23Å; R7-N11 PolarHBondContact O-N 3.27Å; R7-N11 PolarHBondContact O-ND2 3.41Å; K8-N11 PolarHBondContact O-N 2.98Å; F9-N11 PolarHBondContact O-N 3.41Å; N11-D15 WeakPolarHBondContact O-CB 3.41Å; N11-D15 PolarHBondContact O-N 3.45Å; N11-D15 VanDerWaalsContact O-N 3.07Å
12T59Low58.3Low79 Ų79124.7 Ų124.749%0.48563%0.629SS.*Hα-helixtrans-70-36174.7-44.80000111.2K8 F9 I10 D15 H16K8-T12 WeakPolarHBondContact O-CB 3.5Å; K8-T12 PolarHBondContact O-N 3.34Å; K8-T12 PolarHBondContact O-OG1 3.2Å; F9-T12 PolarHBondContact O-N 3.45Å; I10-T12 VanDerWaalsContact C-N 3.34Å; I10-T12 PolarHBondContact O-N 3.42Å; T12-D15 PolarHBondContact O-N 3.04Å; T12-H16 PolarHBondContact O-N 3.18Å; T12-H16 VanDerWaalsContact O-N 3.11Å; T12-H16 PolarHBondContact O-ND1 3.15Å
13L56.7Low57.9Low85 Ų85129.8 Ų129.845%0.44564%0.64SS.*Hα-helixtrans-69.8-38.4175.6-122.7123000112.5F9 I10 H16 H17F9-L13 HydrophobicContact CD1-CD1 3.73Å; F9-L13 HydrophobicContact CE1-CD1 3.24Å; F9-L13 HydrophobicContact CE2-CD1 4.49Å; F9-L13 HydrophobicContact CZ-CD1 3.69Å; F9-L13 WeakPolarHBondContact O-CB 3.38Å; F9-L13 PolarHBondContact O-N 3.04Å; I10-L13 PolarHBondContact O-N 3.34Å; L13-H16 PolarHBondContact O-N 3Å; L13-H17 PolarHBondContact O-N 3.29Å; L13-H17 VanDerWaalsContact O-N 3.12Å
14A58.4Low57.5Low55 Ų55127.8 Ų127.846%0.45564%0.636SS.*Hα-helixtrans-66.7-37.6175.300000111.7I10 H16 H17 H18I10-A14 WeakPolarHBondContact O-CB 3.31Å; I10-A14 PolarHBondContact O-N 3.43Å; A14-H16 VanDerWaalsContact C-N 3.35Å; A14-H17 PolarHBondContact O-N 2.89Å; A14-H18 PolarHBondContact O-N 3.47Å
15D51.6Low56.3Low94 Ų94123.8 Ų123.850%0.50363%0.631SS.*Hα-helixtrans-67.8-34.1175.3-163.460.4000112.1N11 T12 H17 H18N11-D15 WeakPolarHBondContact O-CB 3.41Å; N11-D15 PolarHBondContact O-N 3.45Å; N11-D15 VanDerWaalsContact O-N 3.07Å; T12-D15 PolarHBondContact O-N 3.04Å; D15-H17 VanDerWaalsContact C-N 3.34Å; D15-H18 PolarHBondContact O-N 3.06Å
16H52.9Low56Low140 Ų140119 Ų11965%0.64863%0.625SS**Hα-helixtrans-71.5-24.6172.4-82.434.4000114T12 L13 A14 H18T12-H16 PolarHBondContact O-N 3.18Å; T12-H16 VanDerWaalsContact O-N 3.11Å; T12-H16 PolarHBondContact O-ND1 3.15Å; L13-H16 PolarHBondContact O-N 3Å; A14-H16 VanDerWaalsContact C-N 3.35Å; H16-H18 VanDerWaalsContact C-N 3.31Å
17H52.3Low55.7Low165 Ų165118.2 Ų118.276%0.76463%0.626SS**Hα-helixtrans-79.9-12.7175.2-109.5-78.7000113.5L13 A14 D15L13-H17 PolarHBondContact O-N 3.29Å; L13-H17 VanDerWaalsContact O-N 3.12Å; A14-H17 PolarHBondContact O-N 2.89Å; D15-H17 VanDerWaalsContact C-N 3.34Å
18H48.2Very low55Low172 Ų172118.1 Ų118.180%0.79663%0.626SS**Hα-helixtrans-103-7.2-178.9-106.5-59.5000114.8A14 D15 H16 G20A14-H18 PolarHBondContact O-N 3.47Å; D15-H18 PolarHBondContact O-N 3.06Å; H16-H18 VanDerWaalsContact C-N 3.31Å; H18-G20 PolarHBondContact O-N 3.39Å
19R47.5Very low54.4Low206 Ų206116.2 Ų116.278%0.77762%0.622SS**SBendtrans-95.296.7177.1-96.2-179.4159.7175.6-3.9111.7
20G44.3Very low53.9Low46 Ų46116.8 Ų116.847%0.47463%0.626SS.*  trans72.690.4151.100000115.3H18 D22H18-G20 PolarHBondContact O-N 3.39Å; G20-D22 PolarHBondContact O-N 3.04Å
21T50.2Low53.5Low147 Ų147116 Ų11690%0.90263%0.626SS**  trans-65.259.4150.245.20000110.7
22D49.7Very low53.5Low134 Ų134115.5 Ų115.572%0.71762%0.622SS**  trans-118.916.9-174-67.5-37.8000113.3G20G20-D22 PolarHBondContact O-N 3.04Å
23F46Very low53.6Low215 Ų215117.2 Ų117.294%0.94363%0.627SS**SBendtrans-119.589.1167.3-80.8-82.6000110.7
24G48.5Very low53.7Low56 Ų56115.6 Ų115.658%0.57763%0.626SS**SBendtrans109.358166.500000114.3
25G40.8Very low53.7Low51 Ų51120.2 Ų120.253%0.52664%0.636SS.*  trans-50.9159.8172.200000113P27 W28G25-P27 WeakPolarHBondContact O-CD 3.42Å; G25-W28 PolarHBondContact O-N 2.89Å
26S56.3Low54.2Low85 Ų85118.8 Ų118.859%0.59463%0.632SS**THydrogen-bonded Turntrans-31.9-33.2177.9-66.80000118.1W28 L29 H30S26-W28 PolarHBondContact O-N 3.39Å; S26-L29 PolarHBondContact O-N 3.37Å; S26-H30 PolarHBondContact O-CD2 2.89Å; S26-H30 VanDerWaalsContact O-CD2 3.25Å; S26-H30 PolarHBondContact O-N 2.97Å
27P58.4Low54.5Low92 Ų92116.2 Ų116.260%0.59763%0.626SS**Hα-helixtrans-58.1-37.5178.4-28.637.2000115.3G25 H30 V31G25-P27 WeakPolarHBondContact O-CD 3.42Å; P27-H30 PolarHBondContact O-N 2.83Å; P27-V31 WeakPolarHBondContact O-CG2 3.17Å; P27-V31 PolarHBondContact O-N 3.31Å
28W55.9Low55.3Low186 Ų186111.7 Ų111.771%0.70561%0.613SS**Hα-helixtrans-71.9-34.7-176.5-108.683.1000112.8G25 S26 V31 I32G25-W28 PolarHBondContact O-N 2.89Å; S26-W28 PolarHBondContact O-N 3.39Å; W28-V31 PolarHBondContact O-N 3Å; W28-I32 HydrophobicContact CE3-CD1 3.95Å; W28-I32 HydrophobicContact CE3-CG1 4.23Å; W28-I32 WeakPolarHBondContact O-CD1 3.36Å; W28-I32 VanDerWaalsContact O-CG1 3.25Å; W28-I32 WeakPolarHBondContact O-CG1 3.44Å; W28-I32 PolarHBondContact O-N 3.46Å
29L60.3Low56.6Low105 Ų105110.7 Ų110.755%0.5560%0.603SS.*Hα-helixtrans-67.2-38.5173.2-73.9169.1000111.7S26 V31 I32 I33S26-L29 PolarHBondContact O-N 3.37Å; L29-V31 VanDerWaalsContact C-N 3.32Å; L29-V31 PolarHBondContact O-N 2.92Å; L29-I32 PolarHBondContact O-N 3.11Å; L29-I33 WeakPolarHBondContact O-CB 3.43Å; L29-I33 VanDerWaalsContact O-CG1 3.28Å; L29-I33 WeakPolarHBondContact O-CG1 3.28Å; L29-I33 PolarHBondContact O-N 3.49Å
30H61.1Low58Low138 Ų138107.8 Ų107.864%0.63960%0.596SS**Hα-helixtrans-61.1-40.8171.5-83.3-73.7000111.9S26 P27 I33 A34S26-H30 PolarHBondContact O-CD2 2.89Å; S26-H30 VanDerWaalsContact O-CD2 3.25Å; S26-H30 PolarHBondContact O-N 2.97Å; P27-H30 PolarHBondContact O-N 2.83Å; H30-I33 PolarHBondContact O-N 2.81Å; H30-A34 WeakPolarHBondContact O-CB 3.33Å; H30-A34 PolarHBondContact O-N 2.63Å
31V62.6Low59.5Low81 Ų81109.4 Ų109.449%0.49160%0.597SS.*Hα-helixtrans-63.8-47.2174.4174.60000110.7P27 W28 L29 I33 A34 F35P27-V31 WeakPolarHBondContact O-CG2 3.17Å; P27-V31 PolarHBondContact O-N 3.31Å; W28-V31 PolarHBondContact O-N 3Å; L29-V31 VanDerWaalsContact C-N 3.32Å; L29-V31 PolarHBondContact O-N 2.92Å; V31-I33 VanDerWaalsContact C-N 3.29Å; V31-I33 PolarHBondContact O-N 2.99Å; V31-A34 PolarHBondContact O-N 3.43Å; V31-F35 WeakPolarHBondContact O-CB 3.33Å; V31-F35 PolarHBondContact O-N 2.91Å
32I62.6Low60.9Low94 Ų94106.8 Ų106.848%0.48258%0.581SS.*Hα-helixtrans-62.9-32.3-179.9-66.9162.6000112.5W28 L29 P36W28-I32 HydrophobicContact CE3-CD1 3.95Å; W28-I32 HydrophobicContact CE3-CG1 4.23Å; W28-I32 WeakPolarHBondContact O-CD1 3.36Å; W28-I32 VanDerWaalsContact O-CG1 3.25Å; W28-I32 WeakPolarHBondContact O-CG1 3.44Å; W28-I32 PolarHBondContact O-N 3.46Å; L29-I32 PolarHBondContact O-N 3.11Å; I32-P36 WeakPolarHBondContact O-CD 3.49Å; I32-P36 WeakPolarHBondContact O-CG 3.36Å
33I61.8Low62.6Low114 Ų114102.9 Ų102.959%0.58556%0.559SS**Hα-helixtrans-88.1-36.1179.6-63.6167.2000112.3L29 H30 V31 P36 T37L29-I33 WeakPolarHBondContact O-CB 3.43Å; L29-I33 VanDerWaalsContact O-CG1 3.28Å; L29-I33 WeakPolarHBondContact O-CG1 3.28Å; L29-I33 PolarHBondContact O-N 3.49Å; H30-I33 PolarHBondContact O-N 2.81Å; V31-I33 VanDerWaalsContact C-N 3.29Å; V31-I33 PolarHBondContact O-N 2.99Å; I33-P36 WeakPolarHBondContact O-CD 3.32Å; I33-T37 PolarHBondContact O-OG1 3.36Å
34A58.6Low64.2Low51 Ų5196.6 Ų96.642%0.42154%0.538SS..Hα-helixtrans-72.8-37.5179.300000111.9H30 V31 T37 S38H30-A34 WeakPolarHBondContact O-CB 3.33Å; H30-A34 PolarHBondContact O-N 2.63Å; V31-A34 PolarHBondContact O-N 3.43Å; A34-T37 WeakPolarHBondContact O-CB 3.26Å; A34-T37 PolarHBondContact O-N 3.49Å; A34-T37 VanDerWaalsContact O-N 3.16Å; A34-S38 PolarHBondContact O-N 2.91Å; A34-S38 PolarHBondContact O-OG 2.9Å
35F58Low65.9Low153 Ų15399.3 Ų99.367%0.67154%0.539SS*.Hα-helixtrans-62-44.4-175.2-152.4-91.1000113.9V31 T37 S38 Y39V31-F35 WeakPolarHBondContact O-CB 3.33Å; V31-F35 PolarHBondContact O-N 2.91Å; F35-T37 VanDerWaalsContact C-N 3.31Å; F35-T37 PolarHBondContact O-N 3.26Å; F35-S38 PolarHBondContact O-N 3.31Å; F35-Y39 WeakPolarHBondContact O-CB 3.14Å; F35-Y39 PolarHBondContact O-N 3.18Å
36P61.8Low68.1Low63 Ų63104.9 Ų104.941%0.40955%0.545SS..Hα-helixtrans-66.1-32.8174-19.531.6000112.9I32 I33 K40I32-P36 WeakPolarHBondContact O-CD 3.49Å; I32-P36 WeakPolarHBondContact O-CG 3.36Å; I33-P36 WeakPolarHBondContact O-CD 3.32Å; P36-K40 WeakPolarHBondContact O-CB 3.31Å; P36-K40 VanDerWaalsContact O-CG 3.27Å; P36-K40 WeakPolarHBondContact O-CG 3.39Å; P36-K40 PolarHBondContact O-N 3.47Å
37T60.8Low69.6Low86 Ų86104.5 Ų104.553%0.52854%0.535SS..Hα-helixtrans-69.8-46.3179.3-53.10000110I33 A34 F35 K40 V41I33-T37 PolarHBondContact O-OG1 3.36Å; A34-T37 WeakPolarHBondContact O-CB 3.26Å; A34-T37 PolarHBondContact O-N 3.49Å; A34-T37 VanDerWaalsContact O-N 3.16Å; F35-T37 VanDerWaalsContact C-N 3.31Å; F35-T37 PolarHBondContact O-N 3.26Å; T37-K40 PolarHBondContact O-N 2.9Å; T37-V41 VanDerWaalsContact O-CG2 3.32Å; T37-V41 WeakPolarHBondContact O-CG2 3.03Å; T37-V41 PolarHBondContact O-N 3.46Å; T37-V41 VanDerWaalsContact O-N 3.08Å
38S67.2Low71Confident71 Ų71103.9 Ų103.950%0.49753%0.53SS..Hα-helixtrans-63.6-42.9174.8-63.80000112.1A34 F35 K40 V41 V42A34-S38 PolarHBondContact O-N 2.91Å; A34-S38 PolarHBondContact O-OG 2.9Å; F35-S38 PolarHBondContact O-N 3.31Å; S38-K40 PolarHBondContact O-N 2.93Å; S38-V41 PolarHBondContact O-N 3.38Å; S38-V42 VanDerWaalsContact O-CG2 3.31Å; S38-V42 WeakPolarHBondContact O-CG2 3.46Å; S38-V42 PolarHBondContact O-N 3.33Å
39Y76.6Confident72.6Confident150 Ų150102.8 Ų102.859%0.58853%0.527SS*.Hα-helixtrans-63.8-41.3177.6-179.7-115.1000112.4F35 V41 V42 I43F35-Y39 WeakPolarHBondContact O-CB 3.14Å; F35-Y39 PolarHBondContact O-N 3.18Å; Y39-V41 VanDerWaalsContact C-N 3.32Å; Y39-V41 PolarHBondContact O-N 2.84Å; Y39-V42 PolarHBondContact O-N 3.44Å; Y39-I43 HydrophobicContact CD1-CD1 3.45Å; Y39-I43 VanDerWaalsContact CD1-CD1 3.45Å; Y39-I43 HydrophobicContact CD1-CG1 4.35Å; Y39-I43 HydrophobicContact CD2-CD1 4.18Å; Y39-I43 HydrophobicContact CD2-CG1 4.23Å; Y39-I43 HydrophobicContact CE1-CD1 3.04Å; Y39-I43 HydrophobicContact CE1-CG1 4.01Å; Y39-I43 HydrophobicContact CE2-CD1 3.83Å; Y39-I43 HydrophobicContact CE2-CG1 3.85Å; Y39-I43 HydrophobicContact CG-CD1 4.01Å; Y39-I43 HydrophobicContact CG-CG1 4.45Å; Y39-I43 VanDerWaalsContact O-CG1 3.27Å; Y39-I43 WeakPolarHBondContact O-CG1 3.37Å; Y39-I43 PolarHBondContact O-N 3.05Å
40K76.1Confident73.9Confident145 Ų145102.2 Ų102.263%0.6352%0.524SS*.Hα-helixtrans-61.6-39.7174.2-78.2-178.7178.9178.60112.2P36 T37 S38 T44P36-K40 WeakPolarHBondContact O-CB 3.31Å; P36-K40 VanDerWaalsContact O-CG 3.27Å; P36-K40 WeakPolarHBondContact O-CG 3.39Å; P36-K40 PolarHBondContact O-N 3.47Å; T37-K40 PolarHBondContact O-N 2.9Å; S38-K40 PolarHBondContact O-N 2.93Å; K40-T44 VanDerWaalsContact O-CB 3.31Å; K40-T44 WeakPolarHBondContact O-CB 3.37Å; K40-T44 PolarHBondContact O-N 3.35Å; K40-T44 PolarHBondContact O-OG1 3.24Å
41V76.6Confident75.1Confident81 Ų81103 Ų10349%0.49152%0.521SS..Hα-helixtrans-65.7-46.2176.4172.40000110.6T37 S38 Y39 T44 L45T37-V41 VanDerWaalsContact O-CG2 3.32Å; T37-V41 WeakPolarHBondContact O-CG2 3.03Å; T37-V41 PolarHBondContact O-N 3.46Å; T37-V41 VanDerWaalsContact O-N 3.08Å; S38-V41 PolarHBondContact O-N 3.38Å; Y39-V41 VanDerWaalsContact C-N 3.32Å; Y39-V41 PolarHBondContact O-N 2.84Å; V41-T44 PolarHBondContact O-N 3.41Å; V41-L45 HydrophobicContact CG1-CD1 3.88Å; V41-L45 HydrophobicContact CG1-CG 4.36Å; V41-L45 WeakPolarHBondContact O-CB 3.29Å; V41-L45 VanDerWaalsContact O-CG 3.31Å; V41-L45 WeakPolarHBondContact O-CG 3.34Å; V41-L45 PolarHBondContact O-N 2.73Å
42V80.4Confident76.1Confident92 Ų92103.2 Ų103.256%0.55852%0.522SS*.Hα-helixtrans-62.6-45178.7173.30000111.7S38 Y39 T44 L45 W46S38-V42 VanDerWaalsContact O-CG2 3.31Å; S38-V42 WeakPolarHBondContact O-CG2 3.46Å; S38-V42 PolarHBondContact O-N 3.33Å; Y39-V42 PolarHBondContact O-N 3.44Å; V42-T44 VanDerWaalsContact C-N 3.33Å; V42-T44 PolarHBondContact O-N 2.89Å; V42-L45 PolarHBondContact O-N 2.77Å; V42-W46 WeakPolarHBondContact O-CB 3.22Å; V42-W46 PolarHBondContact O-N 3.24Å
43I84.1Confident77Confident52 Ų52100.8 Ų100.827%0.26751%0.514SS..Hα-helixtrans-60.5-45.6174.8-67162.3000110.7Y39 L45 W46 I47Y39-I43 HydrophobicContact CD1-CD1 3.45Å; Y39-I43 VanDerWaalsContact CD1-CD1 3.45Å; Y39-I43 HydrophobicContact CD1-CG1 4.35Å; Y39-I43 HydrophobicContact CD2-CD1 4.18Å; Y39-I43 HydrophobicContact CD2-CG1 4.23Å; Y39-I43 HydrophobicContact CE1-CD1 3.04Å; Y39-I43 HydrophobicContact CE1-CG1 4.01Å; Y39-I43 HydrophobicContact CE2-CD1 3.83Å; Y39-I43 HydrophobicContact CE2-CG1 3.85Å; Y39-I43 HydrophobicContact CG-CD1 4.01Å; Y39-I43 HydrophobicContact CG-CG1 4.45Å; Y39-I43 VanDerWaalsContact O-CG1 3.27Å; Y39-I43 WeakPolarHBondContact O-CG1 3.37Å; Y39-I43 PolarHBondContact O-N 3.05Å; I43-L45 VanDerWaalsContact C-N 3.33Å; I43-L45 PolarHBondContact O-N 2.82Å; I43-W46 PolarHBondContact O-N 2.91Å; I43-I47 HydrophobicContact CG2-CD1 3.59Å; I43-I47 HydrophobicContact CG2-CG1 4.14Å; I43-I47 WeakPolarHBondContact O-CB 3.3Å; I43-I47 VanDerWaalsContact O-CG1 3.27Å; I43-I47 WeakPolarHBondContact O-CG1 3.41Å; I43-I47 PolarHBondContact O-N 3.4Å
44T80.8Confident77.9Confident82 Ų8299.5 Ų99.550%0.50351%0.508SS..Hα-helixtrans-62.8-43.3-178.4-56.70000110.7K40 V41 V42 I47 V48K40-T44 VanDerWaalsContact O-CB 3.31Å; K40-T44 WeakPolarHBondContact O-CB 3.37Å; K40-T44 PolarHBondContact O-N 3.35Å; K40-T44 PolarHBondContact O-OG1 3.24Å; V41-T44 PolarHBondContact O-N 3.41Å; V42-T44 VanDerWaalsContact C-N 3.33Å; V42-T44 PolarHBondContact O-N 2.89Å; T44-I47 PolarHBondContact O-N 3.25Å; T44-V48 VanDerWaalsContact O-CG2 3.29Å; T44-V48 WeakPolarHBondContact O-CG2 3.42Å; T44-V48 PolarHBondContact O-N 3.46Å
45L83.1Confident79Confident114 Ų114102.1 Ų102.160%0.59751%0.514SS*.Hα-helixtrans-62.7-42.1174.6-71.7172.1000111.9V41 V42 I43 V48 Y49V41-L45 HydrophobicContact CG1-CD1 3.88Å; V41-L45 HydrophobicContact CG1-CG 4.36Å; V41-L45 WeakPolarHBondContact O-CB 3.29Å; V41-L45 VanDerWaalsContact O-CG 3.31Å; V41-L45 WeakPolarHBondContact O-CG 3.34Å; V41-L45 PolarHBondContact O-N 2.73Å; V42-L45 PolarHBondContact O-N 2.77Å; I43-L45 VanDerWaalsContact C-N 3.33Å; I43-L45 PolarHBondContact O-N 2.82Å; L45-V48 PolarHBondContact O-N 2.99Å; L45-Y49 VanDerWaalsContact O-CB 3.28Å; L45-Y49 WeakPolarHBondContact O-CB 3.43Å; L45-Y49 PolarHBondContact O-N 3.34Å
46W86.6Confident79.8Confident167 Ų167102.2 Ų102.263%0.63351%0.514SS*.Hα-helixtrans-64.5-41.6177.3-17369000112.1V42 I43 Y49 L50V42-W46 WeakPolarHBondContact O-CB 3.22Å; V42-W46 PolarHBondContact O-N 3.24Å; I43-W46 PolarHBondContact O-N 2.91Å; W46-Y49 PolarHBondContact O-N 2.75Å; W46-L50 HydrophobicContact CZ2-CD1 4.31Å; W46-L50 WeakPolarHBondContact O-CB 3.35Å; W46-L50 PolarHBondContact O-N 3.29Å
47I88.6Confident80.2Confident77 Ų77103.4 Ų103.440%0.39552%0.52SS..Hα-helixtrans-61.6-51174.4-70.8171.5000109.9I43 T44 Y49 L50 W51I43-I47 HydrophobicContact CG2-CD1 3.59Å; I43-I47 HydrophobicContact CG2-CG1 4.14Å; I43-I47 WeakPolarHBondContact O-CB 3.3Å; I43-I47 VanDerWaalsContact O-CG1 3.27Å; I43-I47 WeakPolarHBondContact O-CG1 3.41Å; I43-I47 PolarHBondContact O-N 3.4Å; T44-I47 PolarHBondContact O-N 3.25Å; I47-Y49 VanDerWaalsContact C-N 3.29Å; I47-Y49 PolarHBondContact O-N 3.49Å; I47-L50 PolarHBondContact O-N 3.49Å; I47-W51 PolarHBondContact O-N 2.83Å
48V88.6Confident80.7Confident80 Ų80103.5 Ų103.549%0.48552%0.516SS..Hα-helixtrans-59.1-43.2178.9171.80000110.7T44 L45 W51 V52T44-V48 VanDerWaalsContact O-CG2 3.29Å; T44-V48 WeakPolarHBondContact O-CG2 3.42Å; T44-V48 PolarHBondContact O-N 3.46Å; L45-V48 PolarHBondContact O-N 2.99Å; V48-W51 PolarHBondContact O-N 3.42Å; V48-V52 HydrophobicContact CG1-CG2 4.31Å; V48-V52 WeakPolarHBondContact O-CB 3.46Å; V48-V52 VanDerWaalsContact O-CG2 3.3Å; V48-V52 WeakPolarHBondContact O-CG2 3.43Å; V48-V52 PolarHBondContact O-N 3.16Å
49Y88.8Confident80.4Confident163 Ų163106 Ų10664%0.63952%0.519SS*.Hα-helixtrans-62.3-43.8176.8-179.2-99.3000112.5L45 W46 I47 W51 V52 S53L45-Y49 VanDerWaalsContact O-CB 3.28Å; L45-Y49 WeakPolarHBondContact O-CB 3.43Å; L45-Y49 PolarHBondContact O-N 3.34Å; W46-Y49 PolarHBondContact O-N 2.75Å; I47-Y49 VanDerWaalsContact C-N 3.29Å; I47-Y49 PolarHBondContact O-N 3.49Å; Y49-W51 VanDerWaalsContact C-N 3.34Å; Y49-W51 PolarHBondContact O-N 3.35Å; Y49-V52 PolarHBondContact O-N 3.45Å; Y49-S53 VanDerWaalsContact O-CB 3.28Å; Y49-S53 WeakPolarHBondContact O-CB 3.33Å; Y49-S53 PolarHBondContact O-N 3.38Å; Y49-S53 PolarHBondContact O-OG 3.39Å
50L87.6Confident79.3Confident93 Ų93109.2 Ų109.249%0.48753%0.53SS..Hα-helixtrans-63-42.2176.7-164.1106.4000111W46 I47 S53 L54W46-L50 HydrophobicContact CZ2-CD1 4.31Å; W46-L50 WeakPolarHBondContact O-CB 3.35Å; W46-L50 PolarHBondContact O-N 3.29Å; I47-L50 PolarHBondContact O-N 3.49Å; L50-S53 PolarHBondContact O-N 2.95Å; L50-L54 WeakPolarHBondContact O-CB 3.32Å; L50-L54 PolarHBondContact O-N 3.44Å
51W86.3Confident78.2Confident154 Ų154105.8 Ų105.858%0.58352%0.524SS*.Hα-helixtrans-65.2-46.5176.1-8699.3000112.3I47 V48 Y49 S53 L54 L55I47-W51 PolarHBondContact O-N 2.83Å; V48-W51 PolarHBondContact O-N 3.42Å; Y49-W51 VanDerWaalsContact C-N 3.34Å; Y49-W51 PolarHBondContact O-N 3.35Å; W51-S53 VanDerWaalsContact C-N 3.3Å; W51-S53 PolarHBondContact O-N 2.85Å; W51-L54 PolarHBondContact O-N 2.87Å; W51-L55 HydrophobicContact CE3-CD1 4.48Å; W51-L55 VanDerWaalsContact O-CB 3.28Å; W51-L55 WeakPolarHBondContact O-CB 3.29Å; W51-L55 WeakPolarHBondContact O-CD1 3.41Å; W51-L55 WeakPolarHBondContact O-CG 3.34Å; W51-L55 PolarHBondContact O-N 2.85Å
52V84.1Confident77Confident86 Ų86110.3 Ų110.352%0.52153%0.532SS..Hα-helixtrans-62.4-40.3177171.30000110.7V48 Y49 L55 K56V48-V52 HydrophobicContact CG1-CG2 4.31Å; V48-V52 WeakPolarHBondContact O-CB 3.46Å; V48-V52 VanDerWaalsContact O-CG2 3.3Å; V48-V52 WeakPolarHBondContact O-CG2 3.43Å; V48-V52 PolarHBondContact O-N 3.16Å; Y49-V52 PolarHBondContact O-N 3.45Å; V52-L55 PolarHBondContact O-N 3.31Å; V52-K56 VanDerWaalsContact O-CB 3.24Å; V52-K56 WeakPolarHBondContact O-CB 3.33Å; V52-K56 PolarHBondContact O-N 2.89Å
53S81.5Confident75.4Confident43 Ų43111.1 Ų111.130%0.30153%0.533SS..Hα-helixtrans-64.7-44.8175.9-61.10000111.6Y49 L50 W51 K56 T57Y49-S53 VanDerWaalsContact O-CB 3.28Å; Y49-S53 WeakPolarHBondContact O-CB 3.33Å; Y49-S53 PolarHBondContact O-N 3.38Å; Y49-S53 PolarHBondContact O-OG 3.39Å; L50-S53 PolarHBondContact O-N 2.95Å; W51-S53 VanDerWaalsContact C-N 3.3Å; W51-S53 PolarHBondContact O-N 2.85Å; S53-K56 PolarHBondContact O-N 3.5Å; S53-T57 WeakPolarHBondContact O-CG2 3.24Å; S53-T57 PolarHBondContact O-N 3.21Å; S53-T57 PolarHBondContact O-OG1 2.81Å
54L80.1Confident73.8Confident87 Ų87111.5 Ų111.546%0.45555%0.55SS.*Hα-helixtrans-62.1-47.8174.8-167.892.2000111.3L50 W51 K56 T57 I58L50-L54 WeakPolarHBondContact O-CB 3.32Å; L50-L54 PolarHBondContact O-N 3.44Å; W51-L54 PolarHBondContact O-N 2.87Å; L54-K56 VanDerWaalsContact C-N 3.29Å; L54-K56 PolarHBondContact O-N 3.46Å; L54-T57 PolarHBondContact O-N 3.29Å; L54-T57 PolarHBondContact O-OG1 2.89Å; L54-I58 HydrophobicContact CD2-CD1 4.01Å; L54-I58 HydrophobicContact CG-CD1 3.97Å; L54-I58 VanDerWaalsContact O-CG1 3.31Å; L54-I58 WeakPolarHBondContact O-CG1 3.26Å; L54-I58 PolarHBondContact O-N 3.43Å
55L80.9Confident72.3Confident105 Ų105112.9 Ų112.955%0.5555%0.551SS.*Hα-helixtrans-58.3-41.9176-87.3147.5000111.3W51 V52 I58 F59W51-L55 HydrophobicContact CE3-CD1 4.48Å; W51-L55 VanDerWaalsContact O-CB 3.28Å; W51-L55 WeakPolarHBondContact O-CB 3.29Å; W51-L55 WeakPolarHBondContact O-CD1 3.41Å; W51-L55 WeakPolarHBondContact O-CG 3.34Å; W51-L55 PolarHBondContact O-N 2.85Å; V52-L55 PolarHBondContact O-N 3.31Å; L55-I58 PolarHBondContact O-N 2.93Å; L55-F59 VanDerWaalsContact O-CB 3.27Å; L55-F59 WeakPolarHBondContact O-CB 3.37Å; L55-F59 PolarHBondContact O-N 2.82Å
56K74.5Confident70.8Confident156 Ų156115.2 Ų115.268%0.67856%0.564SS**Hα-helixtrans-64.2-44.6176.4-167.7172.4174.4101.20111.3V52 S53 L54 I58 F59 W60V52-K56 VanDerWaalsContact O-CB 3.24Å; V52-K56 WeakPolarHBondContact O-CB 3.33Å; V52-K56 PolarHBondContact O-N 2.89Å; S53-K56 PolarHBondContact O-N 3.5Å; L54-K56 VanDerWaalsContact C-N 3.29Å; L54-K56 PolarHBondContact O-N 3.46Å; K56-I58 PolarHBondContact O-N 3.21Å; K56-F59 PolarHBondContact O-N 3.38Å; K56-W60 VanDerWaalsContact O-CB 3.26Å; K56-W60 WeakPolarHBondContact O-CB 3.31Å; K56-W60 PolarHBondContact O-N 2.88Å
57T70.5Confident69.2Low88 Ų88109.3 Ų109.354%0.5456%0.555SS.*Hα-helixtrans-63.2-41.2175.559.80000112.8S53 L54 S61S53-T57 WeakPolarHBondContact O-CG2 3.24Å; S53-T57 PolarHBondContact O-N 3.21Å; S53-T57 PolarHBondContact O-OG1 2.81Å; L54-T57 PolarHBondContact O-N 3.29Å; L54-T57 PolarHBondContact O-OG1 2.89Å; T57-S61 WeakPolarHBondContact O-CB 3.28Å; T57-S61 PolarHBondContact O-N 3.4Å
58I70.9Confident67.5Low87 Ų87109.8 Ų109.845%0.44657%0.565SS.*Hα-helixtrans-66.1-44.1177.7-67167.1000110.5L54 L55 K56 S61 R62L54-I58 HydrophobicContact CD2-CD1 4.01Å; L54-I58 HydrophobicContact CG-CD1 3.97Å; L54-I58 VanDerWaalsContact O-CG1 3.31Å; L54-I58 WeakPolarHBondContact O-CG1 3.26Å; L54-I58 PolarHBondContact O-N 3.43Å; L55-I58 PolarHBondContact O-N 2.93Å; K56-I58 PolarHBondContact O-N 3.21Å; I58-S61 PolarHBondContact O-N 2.87Å; I58-S61 PolarHBondContact O-OG 3.49Å; I58-R62 PolarHBondContact O-N 3.3Å
59F60.9Low65.9Low124 Ų124108.7 Ų108.754%0.54456%0.559SS.*Hα-helixtrans-71.6-35.7-178.3-151.4-101.7000112.2L55 K56 R62 N63L55-F59 VanDerWaalsContact O-CB 3.27Å; L55-F59 WeakPolarHBondContact O-CB 3.37Å; L55-F59 PolarHBondContact O-N 2.82Å; K56-F59 PolarHBondContact O-N 3.38Å; F59-R62 PolarHBondContact O-N 3.4Å; F59-R62 VanDerWaalsContact O-N 3.16Å; F59-N63 WeakPolarHBondContact CE1-ND2 3.27Å; F59-N63 PolarHBondContact O-N 2.88Å
60W53.3Low64.4Low217 Ų217104.8 Ų104.882%0.82255%0.549SS*.Hα-helixtrans-66.7-37.2172.5-141.755.5000111.7K56 R62 N63 G64K56-W60 VanDerWaalsContact O-CB 3.26Å; K56-W60 WeakPolarHBondContact O-CB 3.31Å; K56-W60 PolarHBondContact O-N 2.88Å; W60-R62 PolarHBondContact O-N 2.93Å; W60-N63 PolarHBondContact O-N 3.44Å; W60-G64 PolarHBondContact O-N 3.21Å
61S54Low63Low73 Ų73105 Ų10551%0.5155%0.554SS.*Hα-helixtrans-64.8-22172.885.60000113.6T57 I58 H65T57-S61 WeakPolarHBondContact O-CB 3.28Å; T57-S61 PolarHBondContact O-N 3.4Å; I58-S61 PolarHBondContact O-N 2.87Å; I58-S61 PolarHBondContact O-OG 3.49Å; S61-H65 PolarHBondContact O-CD2 2.97Å
62R50.7Low61.5Low176 Ų176104.6 Ų104.666%0.66456%0.559SS**Hα-helixtrans-96.7-26.3-178.6-162.5143.376.2-179.86.5113.7I58 F59 W60I58-R62 PolarHBondContact O-N 3.3Å; F59-R62 PolarHBondContact O-N 3.4Å; F59-R62 VanDerWaalsContact O-N 3.16Å; W60-R62 PolarHBondContact O-N 2.93Å
63N47.9Very low60.3Low109 Ų109105.4 Ų105.458%0.58356%0.557SS**Hα-helixtrans-95.1-10-178.9-75.410.8000114.5F59 W60F59-N63 WeakPolarHBondContact CE1-ND2 3.27Å; F59-N63 PolarHBondContact O-N 2.88Å; W60-N63 PolarHBondContact O-N 3.44Å
64G49.6Very low59.3Low60 Ų60111.3 Ų111.362%0.61957%0.573SS**SBendtrans-101.53.8-179.500000116W60W60-G64 PolarHBondContact O-N 3.21Å
65H50.9Low58.2Low111 Ų111109.7 Ų109.751%0.51457%0.571SS.*  trans-113.519.6-164-98.6-26.3000116.7S61 T69S61-H65 PolarHBondContact O-CD2 2.97Å; H65-T69 PolarHBondContact O-OG1 2.86Å
66D49.6Very low57.2Low163 Ų163112.1 Ų112.187%0.87257%0.573SS**SBendtrans-105.720.6-173.2-76.6-13.2000115.8
67G53.1Low56.4Low44 Ų44112.1 Ų112.145%0.45457%0.569SS.*SBendtrans-154.5-40.1172.900000116.9
68S52.8Low55.8Low86 Ų86111.3 Ų111.360%0.60157%0.567SS**Hα-helixtrans-75.4-34.5-172.9175.30000113.6Q72S68-Q72 WeakPolarHBondContact O-CB 3.36Å; S68-Q72 WeakPolarHBondContact O-CG 3.41Å; S68-Q72 PolarHBondContact O-N 3.22Å; S68-Q72 VanDerWaalsContact O-N 3.11Å
69T55Low55.4Low58 Ų58112.1 Ų112.136%0.35657%0.572SS.*Hα-helixtrans-71.1-33-17831.90000112.9H65 Q73H65-T69 PolarHBondContact O-OG1 2.86Å; T69-Q73 WeakPolarHBondContact O-CB 3.25Å; T69-Q73 PolarHBondContact O-N 2.85Å
70D58.6Low55.2Low81 Ų81112.6 Ų112.643%0.43357%0.571SS.*Hα-helixtrans-68.6-40.8176.6-169.464.1000111.6Q73 R74D70-Q73 PolarHBondContact O-N 3.4Å; D70-R74 WeakPolarHBondContact O-CB 3.3Å; D70-R74 PolarHBondContact O-N 3.45Å; D70-R74 IonicContact OD2-CZ 3.38Å; D70-R74 IonicContact OD2-NE 3.73Å; D70-R74 IonicContact OD2-NH2 2.77Å; D70-R74 PolarHBondContact OD2-NH2 2.84Å
71V57.3Low55.4Low98 Ų98112 Ų11259%0.59457%0.568SS**Hα-helixtrans-67.4-46.1178.2-178.30000111.1Q73 R74 A75V71-Q73 VanDerWaalsContact C-N 3.34Å; V71-Q73 PolarHBondContact O-N 3.27Å; V71-R74 PolarHBondContact O-N 2.85Å; V71-A75 WeakPolarHBondContact O-CB 3.43Å; V71-A75 PolarHBondContact O-N 3.23Å
72Q54.9Low55.4Low144 Ų144117.9 Ų117.967%0.67358%0.579SS**Hα-helixtrans-62.6-40.6176-73.7-98.9-39.700111.6S68 W76S68-Q72 WeakPolarHBondContact O-CB 3.36Å; S68-Q72 WeakPolarHBondContact O-CG 3.41Å; S68-Q72 PolarHBondContact O-N 3.22Å; S68-Q72 VanDerWaalsContact O-N 3.11Å; Q72-W76 VanDerWaalsContact O-CB 3.28Å; Q72-W76 WeakPolarHBondContact O-CB 3.3Å; Q72-W76 PolarHBondContact O-N 3.47Å
73Q58.4Low55.5Low104 Ų104114.6 Ų114.649%0.48657%0.571SS.*Hα-helixtrans-74.5-30.5179.6-166.5153.6-41.200112.7T69 D70 V71 R77T69-Q73 WeakPolarHBondContact O-CB 3.25Å; T69-Q73 PolarHBondContact O-N 2.85Å; D70-Q73 PolarHBondContact O-N 3.4Å; V71-Q73 VanDerWaalsContact C-N 3.34Å; V71-Q73 PolarHBondContact O-N 3.27Å; Q73-R77 WeakPolarHBondContact O-CB 3.37Å; Q73-R77 WeakPolarHBondContact O-CG 3.31Å; Q73-R77 PolarHBondContact O-N 2.91Å
74R61.2Low55.9Low167 Ų167114.4 Ų114.463%0.6357%0.567SS**Hα-helixtrans-70.6-43.3171.8-170.7175.4-65.2173.84.2111.5D70 V71 W76 R77 S78D70-R74 WeakPolarHBondContact O-CB 3.3Å; D70-R74 PolarHBondContact O-N 3.45Å; D70-R74 IonicContact OD2-CZ 3.38Å; D70-R74 IonicContact OD2-NE 3.73Å; D70-R74 IonicContact OD2-NH2 2.77Å; D70-R74 PolarHBondContact OD2-NH2 2.84Å; V71-R74 PolarHBondContact O-N 2.85Å; R74-W76 VanDerWaalsContact C-N 3.34Å; R74-R77 PolarHBondContact O-N 2.89Å; R74-S78 PolarHBondContact O-N 3.43Å
75A58.2Low56.2Low52 Ų52113.5 Ų113.543%0.4356%0.558SS.*Hα-helixtrans-63.5-39.517300000111.9V71 S78 N79V71-A75 WeakPolarHBondContact O-CB 3.43Å; V71-A75 PolarHBondContact O-N 3.23Å; A75-S78 PolarHBondContact O-N 3.32Å; A75-S78 PolarHBondContact O-OG 2.98Å; A75-N79 PolarHBondContact O-N 3.23Å
76W58.4Low56.1Low157 Ų157114.1 Ų114.160%0.59556%0.564SS**Hα-helixtrans-67.1-40.1176.2-168.883.8000112.5Q72 R74 R80Q72-W76 VanDerWaalsContact O-CB 3.28Å; Q72-W76 WeakPolarHBondContact O-CB 3.3Å; Q72-W76 PolarHBondContact O-N 3.47Å; R74-W76 VanDerWaalsContact C-N 3.34Å; W76-R80 WeakPolarHBondContact O-CB 3.27Å; W76-R80 PolarHBondContact O-N 2.84Å
77R57.7Low56.1Low155 Ų155114.8 Ų114.859%0.58555%0.554SS**Hα-helixtrans-65.1-35.8174.5-79.7-175.9-174.3150.40.7112.7Q73 R74 R81Q73-R77 WeakPolarHBondContact O-CB 3.37Å; Q73-R77 WeakPolarHBondContact O-CG 3.31Å; Q73-R77 PolarHBondContact O-N 2.91Å; R74-R77 PolarHBondContact O-N 2.89Å; R77-R81 PolarHBondContact O-N 3.45Å
78S58.9Low55.9Low72 Ų72117.2 Ų117.250%0.50357%0.565SS.*Hα-helixtrans-73.1-39.8177.985.40000112.1R74 A75 R80 R81 R82R74-S78 PolarHBondContact O-N 3.43Å; A75-S78 PolarHBondContact O-N 3.32Å; A75-S78 PolarHBondContact O-OG 2.98Å; S78-R80 VanDerWaalsContact C-N 3.33Å; S78-R80 PolarHBondContact O-N 3.21Å; S78-R81 PolarHBondContact O-N 2.87Å; S78-R82 PolarHBondContact O-N 3.38Å
79N61.1Low55.8Low103 Ų103120 Ų12055%0.55157%0.571SS**Hα-helixtrans-68.4-31.4176.7-105.6-31.3000112.9A75 R82 Q83A75-N79 PolarHBondContact O-N 3.23Å; N79-R82 PolarHBondContact O-N 3.46Å; N79-Q83 PolarHBondContact O-N 3.38Å
80R57Low55.6Low135 Ų135121.9 Ų121.951%0.50959%0.586SS.*Hα-helixtrans-65.7-42.3176.1-170.5165.8-176.7166.93.1112.4W76 S78 Q83 E84W76-R80 WeakPolarHBondContact O-CB 3.27Å; W76-R80 PolarHBondContact O-N 2.84Å; S78-R80 VanDerWaalsContact C-N 3.33Å; S78-R80 PolarHBondContact O-N 3.21Å; R80-Q83 PolarHBondContact O-N 2.85Å; R80-E84 WeakPolarHBondContact CG-OE1 3.47Å; R80-E84 IonicContact NE-OE1 3.51Å; R80-E84 WeakPolarHBondContact O-CG 3.27Å; R80-E84 PolarHBondContact O-N 3.38Å
81R58.8Low55.1Low203 Ų203125.8 Ų125.877%0.76660%0.603SS**Hα-helixtrans-66-38.5174.8-70.8-169.9-175.2-173.91.8112.6R77 S78 E84 G85R77-R81 PolarHBondContact O-N 3.45Å; S78-R81 PolarHBondContact O-N 2.87Å; R81-E84 PolarHBondContact O-N 2.87Å; R81-G85 PolarHBondContact O-N 2.93Å
82R54.3Low54.7Low198 Ų198129 Ų12975%0.74761%0.612SS**Hα-helixtrans-66-37.3173.3-89.8-168.6-179.8-171.90.8113S78 N79 G85 L86S78-R82 PolarHBondContact O-N 3.38Å; N79-R82 PolarHBondContact O-N 3.46Å; R82-G85 PolarHBondContact O-N 3.38Å; R82-L86 PolarHBondContact O-N 2.86Å
83Q52.8Low54.6Low106 Ų106128.4 Ų128.450%0.49562%0.618SS.*Hα-helixtrans-71.2-32.1174.7-83.1-137.5-0.500113.3N79 R80 G85 L86 R87N79-Q83 PolarHBondContact O-N 3.38Å; R80-Q83 PolarHBondContact O-N 2.85Å; Q83-G85 VanDerWaalsContact C-N 3.32Å; Q83-L86 PolarHBondContact O-N 2.79Å; Q83-R87 VanDerWaalsContact O-CB 3.25Å; Q83-R87 WeakPolarHBondContact O-CB 3.31Å; Q83-R87 VanDerWaalsContact O-CG 3.23Å; Q83-R87 WeakPolarHBondContact O-CG 3.46Å; Q83-R87 PolarHBondContact O-N 3.45Å
84E54.8Low53.6Low106 Ų106133 Ų13350%0.49564%0.636SS.*Hα-helixtrans-66-34.8174.8-76.5163-174.400111.5R80 R81R80-E84 WeakPolarHBondContact CG-OE1 3.47Å; R80-E84 IonicContact NE-OE1 3.51Å; R80-E84 WeakPolarHBondContact O-CG 3.27Å; R80-E84 PolarHBondContact O-N 3.38Å; R81-E84 PolarHBondContact O-N 2.87Å
85G55.8Low52.9Low41 Ų41135.2 Ų135.242%0.42365%0.65SS.*Hα-helixtrans-73.7-26.2172.400000115.5R81 R82 Q83 S88R81-G85 PolarHBondContact O-N 2.93Å; R82-G85 PolarHBondContact O-N 3.38Å; Q83-G85 VanDerWaalsContact C-N 3.32Å; G85-S88 PolarHBondContact O-OG 3.1Å; G85-S88 VanDerWaalsContact O-OG 3.13Å
86L49.9Very low52.2Low124 Ų124143.9 Ų143.965%0.64967%0.672SS**Hα-helixtrans-86.5-26.5173.9-76.3166.4000112.9R82 Q83 S88 I89 C90R82-L86 PolarHBondContact O-N 2.86Å; Q83-L86 PolarHBondContact O-N 2.79Å; L86-S88 VanDerWaalsContact C-N 3.34Å; L86-I89 PolarHBondContact O-N 2.76Å; L86-C90 PolarHBondContact O-N 3.46Å
87R48.9Very low51.3Low176 Ų176142.8 Ų142.866%0.66468%0.682SS**Hα-helixtrans-73.5-21177.4-82.8179.4-177.6-158.12.4113.8Q83 I89Q83-R87 VanDerWaalsContact O-CB 3.25Å; Q83-R87 WeakPolarHBondContact O-CB 3.31Å; Q83-R87 VanDerWaalsContact O-CG 3.23Å; Q83-R87 WeakPolarHBondContact O-CG 3.46Å; Q83-R87 PolarHBondContact O-N 3.45Å; R87-I89 VanDerWaalsContact C-N 3.31Å
88S50.1Low51Low96 Ų96141 Ų14167%0.67169%0.693SS**THydrogen-bonded Turntrans-78.3-14.5174.655.80000113.5G85 L86G85-S88 PolarHBondContact O-OG 3.1Å; G85-S88 VanDerWaalsContact O-OG 3.13Å; L86-S88 VanDerWaalsContact C-N 3.34Å
89I49Very low50.7Low143 Ų143141.6 Ų141.673%0.73370%0.698SS**THydrogen-bonded Turntrans-103.4-21.7-178.2-59.4174000112.3L86 R87L86-I89 PolarHBondContact O-N 2.76Å; R87-I89 VanDerWaalsContact C-N 3.31Å
90C50.7Low49.9Very low98 Ų98145.5 Ų145.566%0.66271%0.71SS**  trans-117.672.8-177.9-169.30000112L86L86-C90 PolarHBondContact O-N 3.46Å
91M49.1Very low49.6Very low164 Ų164151.4 Ų151.481%0.80873%0.733SS**  trans-96.996.7149.2-80.1-123.574.100106.8
92H49.3Very low49.1Very low166 Ų166144.5 Ų144.577%0.76973%0.725SS**SBendtrans-169.5127.7137.4-96.9-68000109.8
93T51.3Low49.2Very low131 Ų131141.8 Ų141.880%0.80473%0.725SS**  trans71.381.2165.369.10000118.8
94K38Very low49.3Very low200 Ų200143.1 Ų143.187%0.8773%0.729SS**  trans-135.996.7137.7-88.2-169.2178.1174.40110.2R96K94-R96 PolarHBondContact O-N 3.4Å; K94-R96 VanDerWaalsContact O-N 3.15Å
95K46.3Very low49.5Very low214 Ų214144.1 Ų144.193%0.9374%0.736SS**  trans-54.4114.5160.3-81.9-177.1175.5177.70107.5
96R44.4Very low49.6Very low234 Ų234147 Ų14788%0.88375%0.745SS**  trans-89.5110168.5-73.3-170.7179.2-171.2-0.8108K94 S98K94-R96 PolarHBondContact O-N 3.4Å; K94-R96 VanDerWaalsContact O-N 3.15Å; R96-S98 PolarHBondContact O-N 3.46Å; R96-S98 VanDerWaalsContact O-N 3.16Å
97V40Very low50.4Low133 Ų133146.2 Ų146.281%0.80674%0.741SS**  trans-58.3114.4165.5176.10000107.6S99V97-S99 PolarHBondContact O-N 2.85Å
98S50.4Low51.3Low117 Ų117144.3 Ų144.382%0.81874%0.738SS**  trans-84.8105.1175.556.30000109.3R96R96-S98 PolarHBondContact O-N 3.46Å; R96-S98 VanDerWaalsContact O-N 3.16Å
99S53.3Low52.4Low86 Ų86144.4 Ų144.460%0.60173%0.731SS**  trans-148.3102.4163.254.40000108.8V97V97-S99 PolarHBondContact O-N 2.85Å
100F44.3Very low53.5Low185 Ų185141.7 Ų141.781%0.81172%0.721SS**  trans179.192.3137.2-95.7-70.1000107.3
101R49Very low54.8Low259 Ų259140.4 Ų140.498%0.97771%0.706SS**  trans-106.461.1179-167.1-177.9-172-132.73.9108.1
102G49.2Very low56.3Low58 Ų58136.7 Ų136.760%0.59869%0.693SS**SBendtrans-114.9-61-177.100000114.1
103N55.5Low57.7Low140 Ų140134.1 Ų134.175%0.74969%0.685SS**SBendtrans-114.116.4-166.6-80.26.4000115.9I105N103-I105 VanDerWaalsContact C-N 3.34Å; N103-I105 PolarHBondContact O-N 3.28Å
104K56.1Low59.3Low134 Ų134136 Ų13658%0.58368%0.677SS**Hα-helixtrans-74.4-20.7-173.2-67.7-177.2-175.6175.60114.1K108K104-K108 WeakPolarHBondContact O-CB 3.28Å; K104-K108 VanDerWaalsContact O-CD 3.23Å; K104-K108 WeakPolarHBondContact O-CD 3.3Å; K104-K108 WeakPolarHBondContact O-CG 3.29Å; K104-K108 PolarHBondContact O-N 3.34Å
105I58.6Low61.4Low128 Ų128134.6 Ų134.666%0.65667%0.666SS**Hα-helixtrans-78.5-55.8-176-60171.3000109.5N103 L107 K108 D109N103-I105 VanDerWaalsContact C-N 3.34Å; N103-I105 PolarHBondContact O-N 3.28Å; I105-L107 PolarHBondContact O-N 3.27Å; I105-K108 PolarHBondContact O-N 3.31Å; I105-K108 VanDerWaalsContact O-N 3.15Å; I105-D109 PolarHBondContact O-N 2.97Å
106V57.2Low63.2Low100 Ų100128.7 Ų128.761%0.60664%0.642SS**Hα-helixtrans-59.9-43.4-178.9-176.60000112.7K108 D109 V110V106-K108 PolarHBondContact O-N 3.18Å; V106-D109 PolarHBondContact O-N 2.9Å; V106-V110 HydrophobicContact CG1-CG2 4.49Å; V106-V110 VanDerWaalsContact O-CG2 3.31Å; V106-V110 WeakPolarHBondContact O-CG2 3.49Å; V106-V110 PolarHBondContact O-N 3.32Å
107L68.6Low65.2Low109 Ų109121.2 Ų121.257%0.57162%0.622SS**Hα-helixtrans-67-37.3179.4-176.963.2000112.2I105 D109 I111I105-L107 PolarHBondContact O-N 3.27Å; L107-D109 VanDerWaalsContact C-N 3.33Å; L107-I111 HydrophobicContact CD1-CD1 4.03Å; L107-I111 HydrophobicContact CD1-CG1 4.3Å; L107-I111 HydrophobicContact CD2-CD1 4.46Å; L107-I111 HydrophobicContact CG-CD1 3.8Å; L107-I111 HydrophobicContact CG-CG1 4.46Å; L107-I111 WeakPolarHBondContact O-CB 3.35Å; L107-I111 WeakPolarHBondContact O-CD1 3.38Å; L107-I111 WeakPolarHBondContact O-CG1 3.48Å; L107-I111 PolarHBondContact O-N 3.47Å
108K67.8Low67.2Low135 Ų135118.2 Ų118.259%0.58760%0.599SS**Hα-helixtrans-63.7-41.7175.2-79.4176-175.9-175.50110.7K104 I105 V106 I111 T112K104-K108 WeakPolarHBondContact O-CB 3.28Å; K104-K108 VanDerWaalsContact O-CD 3.23Å; K104-K108 WeakPolarHBondContact O-CD 3.3Å; K104-K108 WeakPolarHBondContact O-CG 3.29Å; K104-K108 PolarHBondContact O-N 3.34Å; I105-K108 PolarHBondContact O-N 3.31Å; I105-K108 VanDerWaalsContact O-N 3.15Å; V106-K108 PolarHBondContact O-N 3.18Å; K108-I111 PolarHBondContact O-N 2.96Å; K108-T112 WeakPolarHBondContact O-CB 3.28Å; K108-T112 PolarHBondContact O-N 3.04Å; K108-T112 PolarHBondContact O-OG1 3.44Å
109D72.1Confident69Low99 Ų99116.6 Ų116.653%0.52959%0.585SS.*Hα-helixtrans-67.8-40.8-179.7-64.8-24.6000111.8I105 V106 L107 T112 L113I105-D109 PolarHBondContact O-N 2.97Å; V106-D109 PolarHBondContact O-N 2.9Å; L107-D109 VanDerWaalsContact C-N 3.33Å; D109-T112 PolarHBondContact O-N 3.27Å; D109-L113 VanDerWaalsContact O-CB 3.26Å; D109-L113 WeakPolarHBondContact O-CB 3.1Å; D109-L113 PolarHBondContact O-N 3.32Å
110V71.7Confident70.7Confident86 Ų86118.4 Ų118.452%0.52158%0.581SS.*Hα-helixtrans-64.1-42.8175173.30000111.7V106 T112 L113 R114V106-V110 HydrophobicContact CG1-CG2 4.49Å; V106-V110 VanDerWaalsContact O-CG2 3.31Å; V106-V110 WeakPolarHBondContact O-CG2 3.49Å; V106-V110 PolarHBondContact O-N 3.32Å; V110-T112 VanDerWaalsContact C-N 3.33Å; V110-L113 PolarHBondContact O-N 2.9Å; V110-R114 WeakPolarHBondContact O-CB 3.5Å; V110-R114 PolarHBondContact O-N 2.83Å
111I77.6Confident72.8Confident70 Ų70113.1 Ų113.136%0.35956%0.564SS.*Hα-helixtrans-65.8-39.6177.2-68.3167.2000110.7L107 K108 R114 R115L107-I111 HydrophobicContact CD1-CD1 4.03Å; L107-I111 HydrophobicContact CD1-CG1 4.3Å; L107-I111 HydrophobicContact CD2-CD1 4.46Å; L107-I111 HydrophobicContact CG-CD1 3.8Å; L107-I111 HydrophobicContact CG-CG1 4.46Å; L107-I111 WeakPolarHBondContact O-CB 3.35Å; L107-I111 WeakPolarHBondContact O-CD1 3.38Å; L107-I111 WeakPolarHBondContact O-CG1 3.48Å; L107-I111 PolarHBondContact O-N 3.47Å; K108-I111 PolarHBondContact O-N 2.96Å; I111-R114 PolarHBondContact O-N 3.08Å; I111-R115 WeakPolarHBondContact O-CB 3.25Å; I111-R115 VanDerWaalsContact O-CG 3.31Å; I111-R115 WeakPolarHBondContact O-CG 3.31Å; I111-R115 PolarHBondContact O-N 3.49Å
112T81.2Confident74.5Confident87 Ų87108.1 Ų108.153%0.53455%0.545SS..Hα-helixtrans-68.6-42.9179.8-51.80000110.7K108 D109 V110 R115 H116K108-T112 WeakPolarHBondContact O-CB 3.28Å; K108-T112 PolarHBondContact O-N 3.04Å; K108-T112 PolarHBondContact O-OG1 3.44Å; D109-T112 PolarHBondContact O-N 3.27Å; V110-T112 VanDerWaalsContact C-N 3.33Å; T112-R115 PolarHBondContact O-N 2.89Å; T112-H116 WeakPolarHBondContact O-CB 3.27Å; T112-H116 PolarHBondContact O-N 3.27Å
113L78.9Confident76.2Confident112 Ų112107.5 Ų107.559%0.58654%0.535SS*.Hα-helixtrans-62.6-44.6175.2-173.564.4000111.5D109 V110 R115 H116 V117D109-L113 VanDerWaalsContact O-CB 3.26Å; D109-L113 WeakPolarHBondContact O-CB 3.1Å; D109-L113 PolarHBondContact O-N 3.32Å; V110-L113 PolarHBondContact O-N 2.9Å; L113-R115 PolarHBondContact O-N 3.16Å; L113-H116 PolarHBondContact O-N 2.95Å; L113-V117 WeakPolarHBondContact O-CG2 2.91Å; L113-V117 PolarHBondContact O-N 3.49Å
114R84.5Confident77.5Confident170 Ų170108.5 Ų108.564%0.64253%0.532SS*.Hα-helixtrans-58.7-47.9175.3-178.8-178.2168.1-170.41.1111.5V110 I111 H116 V117 E118V110-R114 WeakPolarHBondContact O-CB 3.5Å; V110-R114 PolarHBondContact O-N 2.83Å; I111-R114 PolarHBondContact O-N 3.08Å; R114-H116 VanDerWaalsContact C-N 3.34Å; R114-H116 PolarHBondContact O-N 3.44Å; R114-V117 PolarHBondContact O-N 3.48Å; R114-E118 HydrophobicContact CG-CG 4.5Å; R114-E118 IonicContact CZ-OE1 3.43Å; R114-E118 IonicContact NE-OE1 2.84Å; R114-E118 PolarHBondContact NE-OE1 3.44Å; R114-E118 IonicContact NH2-OE1 3.18Å; R114-E118 PolarHBondContact NH2-OE1 2.99Å; R114-E118 WeakPolarHBondContact O-CB 3.44Å; R114-E118 WeakPolarHBondContact O-CG 3.17Å; R114-E118 PolarHBondContact O-N 3.4Å
115R83.3Confident78.8Confident171 Ų171107 Ų10765%0.64553%0.53SS*.Hα-helixtrans-61.2-42.8177.2-74.7175.9177.9-175.90.3111.6I111 T112 L113 E118 T119I111-R115 WeakPolarHBondContact O-CB 3.25Å; I111-R115 VanDerWaalsContact O-CG 3.31Å; I111-R115 WeakPolarHBondContact O-CG 3.31Å; I111-R115 PolarHBondContact O-N 3.49Å; T112-R115 PolarHBondContact O-N 2.89Å; L113-R115 PolarHBondContact O-N 3.16Å; R115-E118 PolarHBondContact O-N 2.68Å; R115-T119 VanDerWaalsContact O-CG2 3.3Å; R115-T119 WeakPolarHBondContact O-CG2 3.17Å; R115-T119 PolarHBondContact O-N 2.83Å; R115-T119 PolarHBondContact O-OG1 3.25Å
116H82.8Confident79.8Confident90 Ų90109.7 Ų109.742%0.41753%0.532SS..Hα-helixtrans-63-44.2177.8174.5-104.6000112.2T112 L113 R114 T119 K120T112-H116 WeakPolarHBondContact O-CB 3.27Å; T112-H116 PolarHBondContact O-N 3.27Å; L113-H116 PolarHBondContact O-N 2.95Å; R114-H116 VanDerWaalsContact C-N 3.34Å; R114-H116 PolarHBondContact O-N 3.44Å; H116-T119 PolarHBondContact O-N 3.35Å; H116-T119 PolarHBondContact O-OG1 3.45Å; H116-K120 VanDerWaalsContact CE1-CE 3.43Å; H116-K120 WeakPolarHBondContact CE1-CE 3.32Å; H116-K120 VanDerWaalsContact NE2-CE 3.29Å; H116-K120 WeakPolarHBondContact NE2-CE 3.39Å; H116-K120 PolarHBondContact O-N 2.84Å
117V87.3Confident80.7Confident77 Ų77112.4 Ų112.447%0.46754%0.535SS..Hα-helixtrans-64.8-44.4175.8173.90000111.1L113 R114 T119 K120 V121L113-V117 WeakPolarHBondContact O-CG2 2.91Å; L113-V117 PolarHBondContact O-N 3.49Å; R114-V117 PolarHBondContact O-N 3.48Å; V117-T119 VanDerWaalsContact C-N 3.34Å; V117-T119 PolarHBondContact O-N 2.96Å; V117-K120 PolarHBondContact O-N 3.03Å; V117-V121 HydrophobicContact CG1-CG2 4.32Å; V117-V121 WeakPolarHBondContact O-CG2 3.41Å; V117-V121 PolarHBondContact O-N 3.48Å
118E81.6Confident81Confident70 Ų70116.4 Ų116.433%0.32754%0.543SS..Hα-helixtrans-60.4-41.1177.5-77.1-177.8-169.400112R114 R115 V121 R122R114-E118 HydrophobicContact CG-CG 4.5Å; R114-E118 IonicContact CZ-OE1 3.43Å; R114-E118 IonicContact NE-OE1 2.84Å; R114-E118 PolarHBondContact NE-OE1 3.44Å; R114-E118 IonicContact NH2-OE1 3.18Å; R114-E118 PolarHBondContact NH2-OE1 2.99Å; R114-E118 WeakPolarHBondContact O-CB 3.44Å; R114-E118 WeakPolarHBondContact O-CG 3.17Å; R114-E118 PolarHBondContact O-N 3.4Å; R115-E118 PolarHBondContact O-N 2.68Å; E118-V121 PolarHBondContact O-N 3.33Å; E118-R122 WeakPolarHBondContact O-CB 3.36Å; E118-R122 WeakPolarHBondContact O-CG 3.49Å; E118-R122 PolarHBondContact O-N 3.37Å
119T88.8Confident81.1Confident83 Ų83117.1 Ų117.151%0.50955%0.546SS..Hα-helixtrans-66.3-41.8175.959.90000112.2R115 H116 V117 V121 R122 A123R115-T119 VanDerWaalsContact O-CG2 3.3Å; R115-T119 WeakPolarHBondContact O-CG2 3.17Å; R115-T119 PolarHBondContact O-N 2.83Å; R115-T119 PolarHBondContact O-OG1 3.25Å; H116-T119 PolarHBondContact O-N 3.35Å; H116-T119 PolarHBondContact O-OG1 3.45Å; V117-T119 VanDerWaalsContact C-N 3.34Å; V117-T119 PolarHBondContact O-N 2.96Å; T119-V121 PolarHBondContact O-N 2.83Å; T119-R122 PolarHBondContact O-N 2.97Å; T119-A123 WeakPolarHBondContact O-CB 3.28Å; T119-A123 PolarHBondContact O-N 3.28Å
120K88.3Confident81Confident123 Ų123116.3 Ų116.354%0.53554%0.544SS..Hα-helixtrans-62-42.5174.9-80.3-166.3172.2179.50112.2H116 V117 A123 K124H116-K120 VanDerWaalsContact CE1-CE 3.43Å; H116-K120 WeakPolarHBondContact CE1-CE 3.32Å; H116-K120 VanDerWaalsContact NE2-CE 3.29Å; H116-K120 WeakPolarHBondContact NE2-CE 3.39Å; H116-K120 PolarHBondContact O-N 2.84Å; V117-K120 PolarHBondContact O-N 3.03Å; K120-A123 PolarHBondContact O-N 3.5Å; K120-K124 WeakPolarHBondContact O-CG 3.05Å; K120-K124 PolarHBondContact O-N 3.13Å
121V88.9Confident80.4Confident74 Ų74115.7 Ų115.745%0.44854%0.541SS..Hα-helixtrans-65.4-45.8176.6172.10000110.4V117 E118 T119 A123 K124 I125V117-V121 HydrophobicContact CG1-CG2 4.32Å; V117-V121 WeakPolarHBondContact O-CG2 3.41Å; V117-V121 PolarHBondContact O-N 3.48Å; E118-V121 PolarHBondContact O-N 3.33Å; T119-V121 PolarHBondContact O-N 2.83Å; V121-A123 VanDerWaalsContact C-N 3.34Å; V121-A123 PolarHBondContact O-N 3.5Å; V121-K124 PolarHBondContact O-N 3.12Å; V121-I125 HydrophobicContact CG1-CD1 3.75Å; V121-I125 HydrophobicContact CG1-CG1 4.37Å; V121-I125 VanDerWaalsContact O-CG1 3.29Å; V121-I125 WeakPolarHBondContact O-CG1 3.31Å; V121-I125 PolarHBondContact O-N 3Å
122R84.4Confident79.7Confident154 Ų154116.5 Ų116.558%0.58155%0.549SS*.Hα-helixtrans-61.3-40.5176.2-73.9175.3-174.4-161.23.9112.2E118 T119 I125 R126E118-R122 WeakPolarHBondContact O-CB 3.36Å; E118-R122 WeakPolarHBondContact O-CG 3.49Å; E118-R122 PolarHBondContact O-N 3.37Å; T119-R122 PolarHBondContact O-N 2.97Å; R122-I125 PolarHBondContact O-N 2.62Å; R122-R126 WeakPolarHBondContact O-CB 3.29Å; R122-R126 WeakPolarHBondContact O-CG 3Å; R122-R126 PolarHBondContact O-N 3.34Å
123A85.3Confident78.6Confident46 Ų46119.6 Ų119.638%0.3856%0.555SS.*Hα-helixtrans-64.6-42.4175.600000111.6T119 K120 V121 R126 K127T119-A123 WeakPolarHBondContact O-CB 3.28Å; T119-A123 PolarHBondContact O-N 3.28Å; K120-A123 PolarHBondContact O-N 3.5Å; V121-A123 VanDerWaalsContact C-N 3.34Å; V121-A123 PolarHBondContact O-N 3.5Å; A123-R126 PolarHBondContact O-N 3.11Å; A123-K127 WeakPolarHBondContact O-CB 3.44Å; A123-K127 WeakPolarHBondContact O-CG 3.42Å; A123-K127 PolarHBondContact O-N 3.14Å
124K83.7Confident77.6Confident160 Ų160119.4 Ų119.470%0.69655%0.554SS**Hα-helixtrans-62.9-43173.5-77.4-178177.4-175.20112.2K120 V121 K127 R128K120-K124 WeakPolarHBondContact O-CG 3.05Å; K120-K124 PolarHBondContact O-N 3.13Å; V121-K124 PolarHBondContact O-N 3.12Å; K124-K127 PolarHBondContact O-N 3.38Å; K124-R128 VanDerWaalsContact O-CB 3.3Å; K124-R128 WeakPolarHBondContact O-CB 3.46Å; K124-R128 PolarHBondContact O-N 3.37Å
125I81.8Confident76.2Confident104 Ų104116.7 Ų116.753%0.53355%0.552SS.*Hα-helixtrans-63.5-44.8176.2-68.1167.5000110.7V121 R122 R128 K129V121-I125 HydrophobicContact CG1-CD1 3.75Å; V121-I125 HydrophobicContact CG1-CG1 4.37Å; V121-I125 VanDerWaalsContact O-CG1 3.29Å; V121-I125 WeakPolarHBondContact O-CG1 3.31Å; V121-I125 PolarHBondContact O-N 3Å; R122-I125 PolarHBondContact O-N 2.62Å; I125-R128 PolarHBondContact O-N 3.41Å; I125-K129 VanDerWaalsContact O-CB 3.3Å; I125-K129 WeakPolarHBondContact O-CB 3.4Å; I125-K129 PolarHBondContact O-N 3.24Å
126R80Confident74.8Confident184 Ų184116.1 Ų116.169%0.69456%0.557SS**Hα-helixtrans-62.2-47.6176.1-75.9178.7-179.8-178.7-0.9111.5R122 A123 R128 K129 V130R122-R126 WeakPolarHBondContact O-CB 3.29Å; R122-R126 WeakPolarHBondContact O-CG 3Å; R122-R126 PolarHBondContact O-N 3.34Å; A123-R126 PolarHBondContact O-N 3.11Å; R126-R128 PolarHBondContact O-N 3.48Å; R126-K129 PolarHBondContact O-N 3.48Å; R126-V130 WeakPolarHBondContact O-CB 3.43Å; R126-V130 VanDerWaalsContact O-CG2 3.25Å; R126-V130 WeakPolarHBondContact O-CG2 3.43Å; R126-V130 PolarHBondContact O-N 3.42Å
127K76.9Confident73.4Confident156 Ų156119.8 Ų119.868%0.67857%0.573SS**Hα-helixtrans-57.6-47.8175-76.2-172.3179.2-168.40111.2A123 K124 K129 V130 T131A123-K127 WeakPolarHBondContact O-CB 3.44Å; A123-K127 WeakPolarHBondContact O-CG 3.42Å; A123-K127 PolarHBondContact O-N 3.14Å; K124-K127 PolarHBondContact O-N 3.38Å; K127-K129 PolarHBondContact O-N 3.12Å; K127-V130 PolarHBondContact O-N 2.91Å; K127-T131 WeakPolarHBondContact O-CG2 3.24Å; K127-T131 PolarHBondContact O-N 3.46Å; K127-T131 PolarHBondContact O-OG1 2.91Å; K127-T131 VanDerWaalsContact O-OG1 3.1Å
128R73.4Confident71.8Confident193 Ų193121.4 Ų121.473%0.72858%0.58SS**Hα-helixtrans-59.9-46.2176.9-167.1176.8-176-162.31.4111.8K124 I125 R126 V130 T131 T132K124-R128 VanDerWaalsContact O-CB 3.3Å; K124-R128 WeakPolarHBondContact O-CB 3.46Å; K124-R128 PolarHBondContact O-N 3.37Å; I125-R128 PolarHBondContact O-N 3.41Å; R126-R128 PolarHBondContact O-N 3.48Å; R128-V130 PolarHBondContact O-N 3.47Å; R128-T131 VanDerWaalsContact CA-OG1 3.31Å; R128-T131 WeakPolarHBondContact CA-OG1 3.5Å; R128-T131 PolarHBondContact O-N 2.93Å; R128-T131 PolarHBondContact O-OG1 3.33Å; R128-T132 WeakPolarHBondContact O-CB 3.36Å; R128-T132 PolarHBondContact O-N 3.2Å; R128-T132 PolarHBondContact O-OG1 2.93Å
129K71.6Confident70.5Confident150 Ų150127.8 Ų127.865%0.65261%0.606SS**Hα-helixtrans-63.8-38.8178-169.3174.9-176.6177.70112.2I125 R126 K127 T132 K133I125-K129 VanDerWaalsContact O-CB 3.3Å; I125-K129 WeakPolarHBondContact O-CB 3.4Å; I125-K129 PolarHBondContact O-N 3.24Å; R126-K129 PolarHBondContact O-N 3.48Å; K127-K129 PolarHBondContact O-N 3.12Å; K129-T132 PolarHBondContact O-N 3.39Å; K129-K133 PolarHBondContact O-N 3.11Å
130V68.3Low68.9Low82 Ų82128 Ų12850%0.49760%0.603SS.*Hα-helixtrans-66.2-47.2174.3169.90000110.4R126 K127 R128 T132 K133 I134R126-V130 WeakPolarHBondContact O-CB 3.43Å; R126-V130 VanDerWaalsContact O-CG2 3.25Å; R126-V130 WeakPolarHBondContact O-CG2 3.43Å; R126-V130 PolarHBondContact O-N 3.42Å; K127-V130 PolarHBondContact O-N 2.91Å; R128-V130 PolarHBondContact O-N 3.47Å; V130-T132 VanDerWaalsContact C-N 3.31Å; V130-T132 PolarHBondContact O-N 2.92Å; V130-K133 PolarHBondContact O-N 3.02Å; V130-K133 VanDerWaalsContact O-N 3.13Å; V130-I134 HydrophobicContact CG1-CD1 3.69Å; V130-I134 HydrophobicContact CG1-CG1 4.35Å; V130-I134 VanDerWaalsContact O-CG1 3.29Å; V130-I134 WeakPolarHBondContact O-CG1 3.44Å; V130-I134 PolarHBondContact O-N 3.07Å
131T59.8Low67.4Low73 Ų73128.3 Ų128.345%0.44861%0.611SS.*Hα-helixtrans-63.7-34.917653.70000112.6K127 R128 I134 N135K127-T131 WeakPolarHBondContact O-CG2 3.24Å; K127-T131 PolarHBondContact O-N 3.46Å; K127-T131 PolarHBondContact O-OG1 2.91Å; K127-T131 VanDerWaalsContact O-OG1 3.1Å; R128-T131 VanDerWaalsContact CA-OG1 3.31Å; R128-T131 WeakPolarHBondContact CA-OG1 3.5Å; R128-T131 PolarHBondContact O-N 2.93Å; R128-T131 PolarHBondContact O-OG1 3.33Å; T131-I134 PolarHBondContact O-N 3.29Å; T131-N135 WeakPolarHBondContact O-CB 3.49Å; T131-N135 PolarHBondContact O-N 3.49Å; T131-N135 PolarHBondContact O-ND2 2.88Å
132T62.8Low65.6Low88 Ų88127.5 Ų127.554%0.5462%0.618SS.*Hα-helixtrans-68.9-36174.1-58.40000111.7R128 K129 V130 H136R128-T132 WeakPolarHBondContact O-CB 3.36Å; R128-T132 PolarHBondContact O-N 3.2Å; R128-T132 PolarHBondContact O-OG1 2.93Å; K129-T132 PolarHBondContact O-N 3.39Å; V130-T132 VanDerWaalsContact C-N 3.31Å; V130-T132 PolarHBondContact O-N 2.92Å; T132-H136 PolarHBondContact O-N 3.41Å
133K58.3Low64.2Low151 Ų151129 Ų12966%0.65763%0.628SS**Hα-helixtrans-68.6-41.3172.4-97.6-167.7168.7-166.50112.5K129 V130 N135 H136K129-K133 PolarHBondContact O-N 3.11Å; V130-K133 PolarHBondContact O-N 3.02Å; V130-K133 VanDerWaalsContact O-N 3.13Å; K133-N135 VanDerWaalsContact C-N 3.32Å; K133-N135 PolarHBondContact O-N 3.41Å; K133-H136 WeakPolarHBondContact O-CB 3.41Å; K133-H136 PolarHBondContact O-N 3.49Å
134I57.4Low62.7Low108 Ų108136.8 Ų136.855%0.55465%0.648SS**Hα-helixtrans-62.3-42.4176.5-67.2166.7000109.8V130 T131 H136 H137V130-I134 HydrophobicContact CG1-CD1 3.69Å; V130-I134 HydrophobicContact CG1-CG1 4.35Å; V130-I134 VanDerWaalsContact O-CG1 3.29Å; V130-I134 WeakPolarHBondContact O-CG1 3.44Å; V130-I134 PolarHBondContact O-N 3.07Å; T131-I134 PolarHBondContact O-N 3.29Å; I134-H136 PolarHBondContact O-N 3.43Å; I134-H136 VanDerWaalsContact O-N 3.12Å; I134-H137 PolarHBondContact O-N 2.68Å; I134-H137 VanDerWaalsContact O-N 3.14Å
135N54.5Low61.3Low114 Ų114134.6 Ų134.661%0.6164%0.638SS**Hα-helixtrans-67.9-6.4173.3-77.6-24.2000114.9T131 K133T131-N135 WeakPolarHBondContact O-CB 3.49Å; T131-N135 PolarHBondContact O-N 3.49Å; T131-N135 PolarHBondContact O-ND2 2.88Å; K133-N135 VanDerWaalsContact C-N 3.32Å; K133-N135 PolarHBondContact O-N 3.41Å
136H55.8Low60.4Low159 Ų159132.5 Ų132.574%0.73663%0.633SS**Hα-helixtrans-91.8-16.3173.8-162.29.2000112.7T132 K133 I134T132-H136 PolarHBondContact O-N 3.41Å; K133-H136 WeakPolarHBondContact O-CB 3.41Å; K133-H136 PolarHBondContact O-N 3.49Å; I134-H136 PolarHBondContact O-N 3.43Å; I134-H136 VanDerWaalsContact O-N 3.12Å
137H53.2Low59.8Low166 Ų166125.7 Ų125.777%0.76962%0.616SS**Hα-helixtrans-91.1-5.8179.2-87.7-75.1000114.8I134 K139I134-H137 PolarHBondContact O-N 2.68Å; I134-H137 VanDerWaalsContact O-N 3.14Å; H137-K139 VanDerWaalsContact C-N 3.31Å; H137-K139 PolarHBondContact O-N 3.04Å
138D52.9Low59.6Low112 Ų112127 Ų12760%0.59962%0.617SS**SBendtrans-68.498159-77.4-14.1000107.7I140D138-I140 HydrophobicContact CB-CG1 4.03Å; D138-I140 PolarHBondContact O-N 3.15Å
139K54.3Low59.7Low204 Ų204124.9 Ų124.989%0.88761%0.613SS**  trans-58.477.8158.2-81.1177.4174.4176.20107.2H137 N141H137-K139 VanDerWaalsContact C-N 3.31Å; H137-K139 PolarHBondContact O-N 3.04Å; K139-N141 VanDerWaalsContact C-N 3.27Å; K139-N141 PolarHBondContact O-N 2.89Å
140I56.3Low59.9Low87 Ų87124 Ų12445%0.44661%0.611SS.*  trans-66.796.4172.6-62.2165.2000105.3D138 G142 K145D138-I140 HydrophobicContact CB-CG1 4.03Å; D138-I140 PolarHBondContact O-N 3.15Å; I140-G142 PolarHBondContact O-N 2.96Å; I140-K145 HydrophobicContact CG2-CD 4.15Å; I140-K145 HydrophobicContact CG2-CG 4.14Å
141N55.9Low60.8Low129 Ų129126.7 Ų126.769%0.6962%0.616SS**  trans-16.8101.4168.7-86.7-31.9000111.6K139 K143 R144K139-N141 VanDerWaalsContact C-N 3.27Å; K139-N141 PolarHBondContact O-N 2.89Å; N141-K143 PolarHBondContact O-N 2.82Å; N141-R144 PolarHBondContact O-N 2.98Å
142G51.9Low62.2Low58 Ų58128.3 Ų128.360%0.59862%0.62SS**Hα-helixtrans-52.2-24.1-174.600000113.7I140 R144 S146I140-G142 PolarHBondContact O-N 2.96Å; G142-R144 PolarHBondContact O-N 2.86Å; G142-S146 PolarHBondContact O-N 3.5Å; G142-S146 PolarHBondContact O-OG 2.89Å
143K54.1Low63.2Low184 Ų184130.4 Ų130.480%0.862%0.622SS**Hα-helixtrans-64.1-33.8176.3-62.5-172179.6-176.60114.6N141 S146 A147N141-K143 PolarHBondContact O-N 2.82Å; K143-S146 PolarHBondContact O-OG 3.25Å; K143-A147 WeakPolarHBondContact O-CB 3.49Å; K143-A147 PolarHBondContact O-N 3.23Å
144R54Low64.6Low211 Ų211129.2 Ų129.280%0.79662%0.618SS**Hα-helixtrans-80.9-32.5-177.7-154.9175.9-169.6167.33.2112.2N141 G142 R148N141-R144 PolarHBondContact O-N 2.98Å; G142-R144 PolarHBondContact O-N 2.86Å; R144-R148 WeakPolarHBondContact O-CB 3.42Å; R144-R148 PolarHBondContact O-N 3.16Å; R144-R148 VanDerWaalsContact O-N 3.16Å
145K54.9Low66.2Low114 Ų114133.1 Ų133.150%0.49663%0.626SS.*Hα-helixtrans-72.8-37.9175.3-72.9-175.5178.3174.40111.8I140 K149I140-K145 HydrophobicContact CG2-CD 4.15Å; I140-K145 HydrophobicContact CG2-CG 4.14Å; K145-K149 WeakPolarHBondContact O-CB 3.34Å; K145-K149 WeakPolarHBondContact O-CG 3.41Å; K145-K149 PolarHBondContact O-N 3.43Å
146S60.9Low67.9Low60 Ų60130.4 Ų130.442%0.4262%0.62SS.*Hα-helixtrans-66.5-44.8174.557.30000112G142 K143 R148 K149 Q150G142-S146 PolarHBondContact O-N 3.5Å; G142-S146 PolarHBondContact O-OG 2.89Å; K143-S146 PolarHBondContact O-OG 3.25Å; S146-R148 PolarHBondContact O-N 3.05Å; S146-K149 PolarHBondContact O-N 3.24Å; S146-Q150 PolarHBondContact O-N 3.5Å
147A68.5Low69.5Low41 Ų41127.1 Ų127.134%0.33960%0.604SS.*Hα-helixtrans-62.2-41177.400000112.9K143 K151K143-A147 WeakPolarHBondContact O-CB 3.49Å; K143-A147 PolarHBondContact O-N 3.23Å; A147-K151 WeakPolarHBondContact O-CB 3.23Å; A147-K151 WeakPolarHBondContact O-CG 3.49Å; A147-K151 PolarHBondContact O-N 3.45Å
148R73.3Confident71.3Confident183 Ų183123.8 Ų123.869%0.69159%0.589SS**Hα-helixtrans-67.9-38.9176-167.6178.2177.3175.70.1111.9R144 S146 K151 M152R144-R148 WeakPolarHBondContact O-CB 3.42Å; R144-R148 PolarHBondContact O-N 3.16Å; R144-R148 VanDerWaalsContact O-N 3.16Å; S146-R148 PolarHBondContact O-N 3.05Å; R148-K151 PolarHBondContact O-N 3.47Å; R148-M152 HydrophobicContact CG-CE 4.24Å; R148-M152 WeakPolarHBondContact O-CG 3.48Å; R148-M152 PolarHBondContact O-N 3.02Å
149K75.6Confident73.1Confident149 Ų149123.9 Ų123.965%0.64859%0.589SS**Hα-helixtrans-65.3-43.8174.6-79.1-174.9176.6-171.50112K145 S146 K151 M152 F153K145-K149 WeakPolarHBondContact O-CB 3.34Å; K145-K149 WeakPolarHBondContact O-CG 3.41Å; K145-K149 PolarHBondContact O-N 3.43Å; S146-K149 PolarHBondContact O-N 3.24Å; K149-K151 PolarHBondContact O-N 2.99Å; K149-M152 HydrophobicContact CG-CE 4.39Å; K149-M152 PolarHBondContact O-N 3.2Å; K149-F153 WeakPolarHBondContact O-CB 3.44Å; K149-F153 PolarHBondContact O-N 2.84Å
150Q75.6Confident74.6Confident130 Ų130122.4 Ų122.461%0.60758%0.578SS**Hα-helixtrans-60.7-43.7174.4-84.3178-23.600111.8S146 M152 F153 Q154S146-Q150 PolarHBondContact O-N 3.5Å; Q150-M152 VanDerWaalsContact C-N 3.35Å; Q150-M152 PolarHBondContact O-N 2.93Å; Q150-F153 PolarHBondContact O-N 3.33Å; Q150-Q154 WeakPolarHBondContact O-CB 3.38Å; Q150-Q154 WeakPolarHBondContact O-CG 3.32Å; Q150-Q154 PolarHBondContact O-N 3.2Å
151K86.4Confident76Confident140 Ų140126.1 Ų126.161%0.60959%0.586SS**Hα-helixtrans-61.9-38.9175-76.5-178.4177.9-173.30112.9A147 R148 K149 R155A147-K151 WeakPolarHBondContact O-CB 3.23Å; A147-K151 WeakPolarHBondContact O-CG 3.49Å; A147-K151 PolarHBondContact O-N 3.45Å; R148-K151 PolarHBondContact O-N 3.47Å; K149-K151 PolarHBondContact O-N 2.99Å; K151-R155 WeakPolarHBondContact O-CB 3.43Å; K151-R155 WeakPolarHBondContact O-CG 3.33Å; K151-R155 PolarHBondContact O-N 3.08Å
152M88.4Confident77.4Confident106 Ų106127.2 Ų127.252%0.52258%0.581SS.*Hα-helixtrans-68.6-38.8174.9-73.6-173.5-65.900112R148 K149 Q150 R155 A156R148-M152 HydrophobicContact CG-CE 4.24Å; R148-M152 WeakPolarHBondContact O-CG 3.48Å; R148-M152 PolarHBondContact O-N 3.02Å; K149-M152 HydrophobicContact CG-CE 4.39Å; K149-M152 PolarHBondContact O-N 3.2Å; Q150-M152 VanDerWaalsContact C-N 3.35Å; Q150-M152 PolarHBondContact O-N 2.93Å; M152-R155 PolarHBondContact O-N 3.2Å; M152-A156 WeakPolarHBondContact O-CB 3.38Å; M152-A156 PolarHBondContact O-N 3.08Å
153F84.9Confident78.8Confident133 Ų133127.3 Ų127.358%0.58358%0.576SS**Hα-helixtrans-65.6-44176.4-172.2-103.5000112.1K149 Q150 A156 Q157K149-F153 WeakPolarHBondContact O-CB 3.44Å; K149-F153 PolarHBondContact O-N 2.84Å; Q150-F153 PolarHBondContact O-N 3.33Å; F153-A156 PolarHBondContact O-N 3.43Å; F153-Q157 HydrophobicContact CE1-CG 4.27Å; F153-Q157 WeakPolarHBondContact O-CG 3.47Å; F153-Q157 PolarHBondContact O-N 2.91Å
154Q88.1Confident80.1Confident126 Ų126122.8 Ų122.859%0.58956%0.558SS**Hα-helixtrans-60.5-45173.3-75.1175.8-14.300111.7Q150 A156 Q157 E158Q150-Q154 WeakPolarHBondContact O-CB 3.38Å; Q150-Q154 WeakPolarHBondContact O-CG 3.32Å; Q150-Q154 PolarHBondContact O-N 3.2Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-A156 PolarHBondContact O-N 3.26Å; Q154-Q157 PolarHBondContact O-N 3.23Å; Q154-E158 PolarHBondContact O-N 3.31Å
155R91.1Very high81.4Confident190 Ų190116.6 Ų116.672%0.71754%0.54SS*.Hα-helixtrans-62.5-38.4175.3-79.4-176.7179.1-169.1-1.4113K151 M152 E158 L159K151-R155 WeakPolarHBondContact O-CB 3.43Å; K151-R155 WeakPolarHBondContact O-CG 3.33Å; K151-R155 PolarHBondContact O-N 3.08Å; M152-R155 PolarHBondContact O-N 3.2Å; R155-E158 PolarHBondContact O-N 2.82Å; R155-L159 WeakPolarHBondContact O-CG 3.41Å; R155-L159 PolarHBondContact O-N 3.37Å
156A89.6Confident82.3Confident57 Ų57117.9 Ų117.947%0.47154%0.543SS..Hα-helixtrans-66-39.5175.900000111.7M152 F153 Q154 R160M152-A156 WeakPolarHBondContact O-CB 3.38Å; M152-A156 PolarHBondContact O-N 3.08Å; F153-A156 PolarHBondContact O-N 3.43Å; Q154-A156 VanDerWaalsContact C-N 3.34Å; Q154-A156 PolarHBondContact O-N 3.26Å; A156-R160 WeakPolarHBondContact O-CB 3.43Å; A156-R160 PolarHBondContact O-N 3.4Å
157Q90.1Very high82.7Confident89 Ų89120.3 Ų120.342%0.41655%0.548SS..Hα-helixtrans-65.9-40.6174-74.3-173.5-23.400112.4F153 Q154 R160 R161F153-Q157 HydrophobicContact CE1-CG 4.27Å; F153-Q157 WeakPolarHBondContact O-CG 3.47Å; F153-Q157 PolarHBondContact O-N 2.91Å; Q154-Q157 PolarHBondContact O-N 3.23Å; Q157-R160 WeakPolarHBondContact O-CB 3.4Å; Q157-R160 PolarHBondContact O-N 3.03Å; Q157-R161 WeakPolarHBondContact O-CG 3.47Å; Q157-R161 PolarHBondContact O-N 2.98Å
158E90.8Very high82.7Confident96 Ų96123 Ų12345%0.44955%0.552SS.*Hα-helixtrans-60.8-47.4174.8-176.5102.7-174.400111.5Q154 R155 R160 R161 R162Q154-E158 PolarHBondContact O-N 3.31Å; R155-E158 PolarHBondContact O-N 2.82Å; E158-R160 VanDerWaalsContact C-N 3.27Å; E158-R160 PolarHBondContact O-N 3.22Å; E158-R161 PolarHBondContact O-N 2.86Å; E158-R162 WeakPolarHBondContact O-CG 3.47Å; E158-R162 PolarHBondContact O-N 3.29Å; E158-R162 IonicContact OE1-CZ 3.59Å; E158-R162 IonicContact OE1-NE 3.61Å; E158-R162 IonicContact OE1-NH2 2.83Å; E158-R162 PolarHBondContact OE1-NH2 2.95Å
159L90.8Very high82.5Confident114 Ų114119.8 Ų119.860%0.59756%0.556SS**Hα-helixtrans-60.8-38.7176.8-74.1171.4000111.8R155 R162 A163R155-L159 WeakPolarHBondContact O-CG 3.41Å; R155-L159 PolarHBondContact O-N 3.37Å; L159-R162 PolarHBondContact O-N 2.98Å; L159-A163 WeakPolarHBondContact O-CB 3.49Å; L159-A163 PolarHBondContact O-N 3.42Å
160R85.1Confident82.3Confident174 Ų174119.3 Ų119.366%0.65755%0.554SS**Hα-helixtrans-63.3-45.7175.2-172.1177.6176.61624.2111.8A156 Q157 E158 R162 A163 E164A156-R160 WeakPolarHBondContact O-CB 3.43Å; A156-R160 PolarHBondContact O-N 3.4Å; Q157-R160 WeakPolarHBondContact O-CB 3.4Å; Q157-R160 PolarHBondContact O-N 3.03Å; E158-R160 VanDerWaalsContact C-N 3.27Å; E158-R160 PolarHBondContact O-N 3.22Å; R160-R162 PolarHBondContact O-N 3.04Å; R160-A163 PolarHBondContact O-N 2.96Å; R160-E164 IonicContact NE-OE1 3.34Å; R160-E164 PolarHBondContact NE-OE1 3.43Å; R160-E164 WeakPolarHBondContact O-CG 3.48Å; R160-E164 PolarHBondContact O-N 2.81Å
161R85.8Confident81.9Confident165 Ų165114.7 Ų114.762%0.62353%0.533SS*.Hα-helixtrans-60.4-44175.3-72.5179.9-179.1177.7-0.3111.8Q157 E158 A163 E164 D165Q157-R161 WeakPolarHBondContact O-CG 3.47Å; Q157-R161 PolarHBondContact O-N 2.98Å; E158-R161 PolarHBondContact O-N 2.86Å; R161-A163 VanDerWaalsContact C-N 3.34Å; R161-A163 PolarHBondContact O-N 3.34Å; R161-E164 PolarHBondContact O-N 3.23Å; R161-D165 WeakPolarHBondContact O-CB 3.44Å; R161-D165 VanDerWaalsContact O-CG 3.31Å; R161-D165 PolarHBondContact O-N 3.37Å
162R85.9Confident81.2Confident152 Ų152111.4 Ų111.457%0.57453%0.526SS*.Hα-helixtrans-63.3-38.2176.4-71-177.1-168.6170.84.4113E158 L159 R160 D165 Y166E158-R162 WeakPolarHBondContact O-CG 3.47Å; E158-R162 PolarHBondContact O-N 3.29Å; E158-R162 IonicContact OE1-CZ 3.59Å; E158-R162 IonicContact OE1-NE 3.61Å; E158-R162 IonicContact OE1-NH2 2.83Å; E158-R162 PolarHBondContact OE1-NH2 2.95Å; L159-R162 PolarHBondContact O-N 2.98Å; R160-R162 PolarHBondContact O-N 3.04Å; R162-D165 PolarHBondContact O-N 3.41Å; R162-Y166 VanDerWaalsContact O-CB 3.27Å; R162-Y166 WeakPolarHBondContact O-CB 3.23Å; R162-Y166 PolarHBondContact O-N 3.37Å
163A82Confident80.2Confident60 Ų60111.1 Ų111.150%0.49653%0.532SS..Hα-helixtrans-66.8-41.5175.300000111.7L159 R160 R161 Y166 H167L159-A163 WeakPolarHBondContact O-CB 3.49Å; L159-A163 PolarHBondContact O-N 3.42Å; R160-A163 PolarHBondContact O-N 2.96Å; R161-A163 VanDerWaalsContact C-N 3.34Å; R161-A163 PolarHBondContact O-N 3.34Å; A163-Y166 PolarHBondContact O-N 2.76Å; A163-H167 WeakPolarHBondContact O-CB 3.29Å; A163-H167 PolarHBondContact O-N 3.09Å
164E79.8Confident79.3Confident89 Ų89109 Ų10942%0.41653%0.534SS..Hα-helixtrans-63.6-42174.8-73.1172.4-164.700111.6R160 R161 H167 K168R160-E164 IonicContact NE-OE1 3.34Å; R160-E164 PolarHBondContact NE-OE1 3.43Å; R160-E164 WeakPolarHBondContact O-CG 3.48Å; R160-E164 PolarHBondContact O-N 2.81Å; R161-E164 PolarHBondContact O-N 3.23Å; E164-H167 PolarHBondContact O-N 2.91Å; E164-K168 VanDerWaalsContact O-CG 3.3Å; E164-K168 WeakPolarHBondContact O-CG 3.49Å; E164-K168 PolarHBondContact O-N 3.41Å
165D82.4Confident78.2Confident80 Ų80104.8 Ų104.843%0.42852%0.52SS..Hα-helixtrans-69.9-38.6177.5-69.2-22.1000112R161 R162 H167 K168 C169R161-D165 WeakPolarHBondContact O-CB 3.44Å; R161-D165 VanDerWaalsContact O-CG 3.31Å; R161-D165 PolarHBondContact O-N 3.37Å; R162-D165 PolarHBondContact O-N 3.41Å; D165-H167 VanDerWaalsContact C-N 3.32Å; D165-H167 PolarHBondContact O-N 3.07Å; D165-K168 WeakPolarHBondContact O-CB 3.34Å; D165-K168 PolarHBondContact O-N 2.96Å; D165-K168 IonicContact OD1-NZ 3.37Å; D165-K168 PolarHBondContact OD1-NZ 3.47Å; D165-C169 WeakPolarHBondContact O-CB 3.47Å; D165-C169 PolarHBondContact O-N 2.79Å; D165-C169 PolarHBondContact O-SG 2.85Å
166Y73.4Confident77.1Confident141 Ų141100.1 Ų100.155%0.55350%0.503SS*.Hα-helixtrans-59.8-42.7171.2-177.6-99.8000112R162 A163 K168 C169 K170R162-Y166 VanDerWaalsContact O-CB 3.27Å; R162-Y166 WeakPolarHBondContact O-CB 3.23Å; R162-Y166 PolarHBondContact O-N 3.37Å; A163-Y166 PolarHBondContact O-N 2.76Å; Y166-K168 VanDerWaalsContact C-N 3.35Å; Y166-C169 PolarHBondContact O-N 3.04Å; Y166-K170 HydrophobicContact CD1-CD 4.35Å; Y166-K170 HydrophobicContact CE1-CD 3.61Å; Y166-K170 HydrophobicContact CE1-CG 4.38Å; Y166-K170 HydrophobicContact CE2-CD 4.44Å; Y166-K170 VanDerWaalsContact CZ-CE 3.42Å; Y166-K170 WeakPolarHBondContact O-CB 3.27Å; Y166-K170 PolarHBondContact O-N 3.19Å; Y166-K170 WeakPolarHBondContact OH-CE 3.47Å; Y166-K170 PolarHBondContact OH-NZ 2.78Å
167H69.5Low76.1Confident112 Ų112105 Ų10552%0.51951%0.514SS..Hα-helixtrans-66-37.7175.8-170.872.3000111.9A163 E164 D165 I171A163-H167 WeakPolarHBondContact O-CB 3.29Å; A163-H167 PolarHBondContact O-N 3.09Å; E164-H167 PolarHBondContact O-N 2.91Å; D165-H167 VanDerWaalsContact C-N 3.32Å; D165-H167 PolarHBondContact O-N 3.07Å; H167-I171 WeakPolarHBondContact CE1-CD1 3.48Å; H167-I171 WeakPolarHBondContact NE2-CD1 3.37Å; H167-I171 PolarHBondContact O-N 2.9Å
168K67.6Low75.2Confident97 Ų97103.8 Ų103.842%0.42252%0.519SS..Hα-helixtrans-63.1-47.8171.9-72.1171.9-168.3163.40111E164 D165 Y166 K170 I171 R176E164-K168 VanDerWaalsContact O-CG 3.3Å; E164-K168 WeakPolarHBondContact O-CG 3.49Å; E164-K168 PolarHBondContact O-N 3.41Å; D165-K168 WeakPolarHBondContact O-CB 3.34Å; D165-K168 PolarHBondContact O-N 2.96Å; D165-K168 IonicContact OD1-NZ 3.37Å; D165-K168 PolarHBondContact OD1-NZ 3.47Å; Y166-K168 VanDerWaalsContact C-N 3.35Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 2.83Å; K168-I171 PolarHBondContact O-N 3.24Å; K168-I171 VanDerWaalsContact O-O 3.1Å; K168-R176 VanDerWaalsContact CB-NH2 3.34Å; K168-R176 PolarHBondContact O-NH2 3.27Å
169C69.8Low74.1Confident115 Ų115103.8 Ų103.878%0.77752%0.521SS*.Hα-helixtrans-68.3-29.5-178.1-67.50000113.2D165 Y166D165-C169 WeakPolarHBondContact O-CB 3.47Å; D165-C169 PolarHBondContact O-N 2.79Å; D165-C169 PolarHBondContact O-SG 2.85Å; Y166-C169 PolarHBondContact O-N 3.04Å
170K71.4Confident73Confident140 Ų140102.2 Ų102.261%0.60952%0.518SS*.Hα-helixtrans-80.7-25.7178-92.4-165.5166.6-1770115Y166 K168Y166-K170 HydrophobicContact CD1-CD 4.35Å; Y166-K170 HydrophobicContact CE1-CD 3.61Å; Y166-K170 HydrophobicContact CE1-CG 4.38Å; Y166-K170 HydrophobicContact CE2-CD 4.44Å; Y166-K170 VanDerWaalsContact CZ-CE 3.42Å; Y166-K170 WeakPolarHBondContact O-CB 3.27Å; Y166-K170 PolarHBondContact O-N 3.19Å; Y166-K170 WeakPolarHBondContact OH-CE 3.47Å; Y166-K170 PolarHBondContact OH-NZ 2.78Å; K168-K170 VanDerWaalsContact C-N 3.32Å; K168-K170 PolarHBondContact O-N 2.83Å
171I67.1Low72.4Confident33 Ų3398.6 Ų98.617%0.16951%0.512CS..SBendtrans-106.3114-177.6-54.4-174.6000109.7H167 K168 A175 R176H167-I171 WeakPolarHBondContact CE1-CD1 3.48Å; H167-I171 WeakPolarHBondContact NE2-CD1 3.37Å; H167-I171 PolarHBondContact O-N 2.9Å; K168-I171 PolarHBondContact O-N 3.24Å; K168-I171 VanDerWaalsContact O-O 3.1Å; I171-A175 HydrophobicContact CG2-CB 3.74Å; I171-R176 HydrophobicContact CB-CG 4.02Å; I171-R176 HydrophobicContact CG2-CG 3.5Å; I171-R176 VanDerWaalsContact CG2-CG 3.5Å; I171-R176 PolarHBondContact O-NE 3.43Å; I171-R176 VanDerWaalsContact O-NE 3.12Å; I171-R176 PolarHBondContact O-NH2 3.49Å
172P72.1Confident71.8Confident70 Ų7099.4 Ų99.446%0.45552%0.515SS..  trans-59.1145.6177.421-28.6000110.4S174 A175 R176P172-S174 PolarHBondContact O-N 3.44Å; P172-A175 HydrophobicContact CG-CB 3.89Å; P172-A175 PolarHBondContact O-N 2.96Å; P172-R176 PolarHBondContact O-N 2.87Å
173P66.9Low71.1Confident100 Ų10095.9 Ų95.965%0.64951%0.511SS*.Hα-helixtrans-53.1-32.2-175.1-27.434.1000114.3R176P173-R176 PolarHBondContact O-N 3.24Å
174S65.9Low70.5Confident89 Ų89102.2 Ų102.262%0.62252%0.522SS*.Hα-helixtrans-65.5-43.8175.752.30000113P172 R176 K177 A178P172-S174 PolarHBondContact O-N 3.44Å; S174-R176 VanDerWaalsContact C-N 3.31Å; S174-R176 PolarHBondContact O-N 2.95Å; S174-K177 PolarHBondContact O-N 3.34Å; S174-A178 PolarHBondContact O-N 2.97Å
175A66.1Low69.9Low38 Ų38103.9 Ų103.931%0.31453%0.531SS..Hα-helixtrans-69.7-27.4178.800000112.4I171 P172 A178 L179I171-A175 HydrophobicContact CG2-CB 3.74Å; P172-A175 HydrophobicContact CG-CB 3.89Å; P172-A175 PolarHBondContact O-N 2.96Å; A175-A178 PolarHBondContact O-N 3.34Å; A175-L179 WeakPolarHBondContact O-CB 3.03Å; A175-L179 PolarHBondContact O-N 3.46Å
176R67.7Low69Low91 Ų91101.7 Ų101.734%0.34352%0.524SS..Hα-helixtrans-65.6-39.7174-60.8-169.3-157.115812.4112.5K168 I171 P172 P173 S174 L179 C180K168-R176 VanDerWaalsContact CB-NH2 3.34Å; K168-R176 PolarHBondContact O-NH2 3.27Å; I171-R176 HydrophobicContact CB-CG 4.02Å; I171-R176 HydrophobicContact CG2-CG 3.5Å; I171-R176 VanDerWaalsContact CG2-CG 3.5Å; I171-R176 PolarHBondContact O-NE 3.43Å; I171-R176 VanDerWaalsContact O-NE 3.12Å; I171-R176 PolarHBondContact O-NH2 3.49Å; P172-R176 PolarHBondContact O-N 2.87Å; P173-R176 PolarHBondContact O-N 3.24Å; S174-R176 VanDerWaalsContact C-N 3.31Å; S174-R176 PolarHBondContact O-N 2.95Å; R176-L179 PolarHBondContact O-N 2.93Å; R176-C180 WeakPolarHBondContact O-CB 3.47Å; R176-C180 PolarHBondContact O-N 3.21Å; R176-C180 PolarHBondContact O-SG 2.9Å; R176-C180 VanDerWaalsContact O-SG 3.35Å
177K68.9Low68.4Low161 Ų16197.2 Ų97.270%0.752%0.516SS*.Hα-helixtrans-64.2-43.8175.8-80.4-173.9178-179.30111.3S174 C180 N181S174-K177 PolarHBondContact O-N 3.34Å; K177-C180 PolarHBondContact O-N 2.97Å; K177-N181 WeakPolarHBondContact O-CB 3.46Å; K177-N181 VanDerWaalsContact O-CG 3.25Å; K177-N181 PolarHBondContact O-N 2.88Å
178A69.7Low68Low63 Ų6393.3 Ų93.352%0.52150%0.503SS..Hα-helixtrans-61.6-43.6175.800000111.9S174 A175 N181 W182S174-A178 PolarHBondContact O-N 2.97Å; A175-A178 PolarHBondContact O-N 3.34Å; A178-N181 PolarHBondContact O-N 3.38Å; A178-W182 WeakPolarHBondContact O-CB 3.27Å; A178-W182 PolarHBondContact O-N 3.48Å
179L68.3Low67.5Low96 Ų9695.6 Ų95.650%0.50352%0.515SS..Hα-helixtrans-67.6-42.3179.1-147.2119.6000112.3A175 R176 W182 V183A175-L179 WeakPolarHBondContact O-CB 3.03Å; A175-L179 PolarHBondContact O-N 3.46Å; R176-L179 PolarHBondContact O-N 2.93Å; L179-W182 PolarHBondContact O-N 2.84Å; L179-V183 WeakPolarHBondContact O-CB 3.43Å; L179-V183 VanDerWaalsContact O-CG2 3.29Å; L179-V183 WeakPolarHBondContact O-CG2 3.47Å; L179-V183 PolarHBondContact O-N 2.86Å
180C67Low66.6Low80 Ų8097.1 Ų97.154%0.54151%0.511SS..Hα-helixtrans-64.9-38.1174.6-75.10000112.4R176 K177 R184R176-C180 WeakPolarHBondContact O-CB 3.47Å; R176-C180 PolarHBondContact O-N 3.21Å; R176-C180 PolarHBondContact O-SG 2.9Å; R176-C180 VanDerWaalsContact O-SG 3.35Å; K177-C180 PolarHBondContact O-N 2.97Å; C180-R184 WeakPolarHBondContact O-CB 3.39Å; C180-R184 WeakPolarHBondContact O-CG 3.49Å; C180-R184 PolarHBondContact O-N 3.35Å
181N72.9Confident65.6Low98 Ų9899.3 Ų99.352%0.52452%0.515SS..Hα-helixtrans-67.8-41.3174.7-75.5-8.3000111.2K177 A178 R184 M185K177-N181 WeakPolarHBondContact O-CB 3.46Å; K177-N181 VanDerWaalsContact O-CG 3.25Å; K177-N181 PolarHBondContact O-N 2.88Å; A178-N181 PolarHBondContact O-N 3.38Å; N181-R184 PolarHBondContact O-N 2.93Å; N181-M185 WeakPolarHBondContact O-CB 3.42Å; N181-M185 VanDerWaalsContact O-CG 3.3Å; N181-M185 WeakPolarHBondContact O-CG 3.47Å; N181-M185 PolarHBondContact O-N 2.9Å
182W72.8Confident64.8Low182 Ų182105.7 Ų105.769%0.68954%0.544SS*.Hα-helixtrans-64-44.7175.6-176.975.9000112.3A178 L179 R184 M185 A186A178-W182 WeakPolarHBondContact O-CB 3.27Å; A178-W182 PolarHBondContact O-N 3.48Å; L179-W182 PolarHBondContact O-N 2.84Å; W182-R184 VanDerWaalsContact C-N 3.31Å; W182-R184 PolarHBondContact O-N 3.35Å; W182-M185 PolarHBondContact O-N 3.41Å; W182-A186 WeakPolarHBondContact O-CB 3.38Å; W182-A186 PolarHBondContact O-N 2.84Å
183V72Confident63.9Low78 Ų78107.7 Ų107.747%0.47356%0.56SS.*Hα-helixtrans-62.5-37.8174.5171.40000111.4L179 A187L179-V183 WeakPolarHBondContact O-CB 3.43Å; L179-V183 VanDerWaalsContact O-CG2 3.29Å; L179-V183 WeakPolarHBondContact O-CG2 3.47Å; L179-V183 PolarHBondContact O-N 2.86Å; V183-A187 VanDerWaalsContact O-CB 3.23Å; V183-A187 WeakPolarHBondContact O-CB 3.45Å; V183-A187 PolarHBondContact O-N 3.5Å
184R69.9Low63.3Low194 Ų194105.8 Ų105.873%0.73255%0.549SS*.Hα-helixtrans-66.5-42173.9-85.1-178.4132.8167.6-2.8112.7C180 N181 W182 A187 A188C180-R184 WeakPolarHBondContact O-CB 3.39Å; C180-R184 WeakPolarHBondContact O-CG 3.49Å; C180-R184 PolarHBondContact O-N 3.35Å; N181-R184 PolarHBondContact O-N 2.93Å; W182-R184 VanDerWaalsContact C-N 3.31Å; W182-R184 PolarHBondContact O-N 3.35Å; R184-A187 PolarHBondContact O-N 2.97Å; R184-A188 WeakPolarHBondContact O-CB 3.3Å; R184-A188 PolarHBondContact O-N 2.93Å
185M66.7Low62.8Low123 Ų123105.2 Ų105.261%0.60656%0.557SS**Hα-helixtrans-66.5-47177.1-74.5-59.8-61.100111.2N181 W182 A187 A188 E189N181-M185 WeakPolarHBondContact O-CB 3.42Å; N181-M185 VanDerWaalsContact O-CG 3.3Å; N181-M185 WeakPolarHBondContact O-CG 3.47Å; N181-M185 PolarHBondContact O-N 2.9Å; W182-M185 PolarHBondContact O-N 3.41Å; M185-A187 VanDerWaalsContact C-N 3.3Å; M185-A187 PolarHBondContact O-N 3.46Å; M185-A188 CarbonylContact O-C 3.53Å; M185-A188 WeakPolarHBondContact O-CA 3.16Å; M185-A188 WeakPolarHBondContact O-CB 3.3Å; M185-A188 PolarHBondContact O-N 3.48Å; M185-E189 WeakPolarHBondContact O-CB 3.28Å; M185-E189 PolarHBondContact O-N 3.27Å
186A63.6Low62.1Low35 Ų35110 Ų11029%0.28958%0.577SS.*Hα-helixtrans-60.5-39.9175.700000111.7W182 E189 H190W182-A186 WeakPolarHBondContact O-CB 3.38Å; W182-A186 PolarHBondContact O-N 2.84Å; A186-E189 PolarHBondContact O-N 3.29Å; A186-H190 WeakPolarHBondContact O-CB 3.36Å; A186-H190 PolarHBondContact O-N 2.99Å
187A60.9Low61Low47 Ų47110.8 Ų110.839%0.38859%0.593SS.*Hα-helixtrans-67.9-33.7173.800000112.7V183 R184 M185 R191V183-A187 VanDerWaalsContact O-CB 3.23Å; V183-A187 WeakPolarHBondContact O-CB 3.45Å; V183-A187 PolarHBondContact O-N 3.5Å; R184-A187 PolarHBondContact O-N 2.97Å; M185-A187 VanDerWaalsContact C-N 3.3Å; M185-A187 PolarHBondContact O-N 3.46Å; A187-R191 VanDerWaalsContact O-CG 3.23Å; A187-R191 WeakPolarHBondContact O-CG 3.48Å; A187-R191 PolarHBondContact O-N 3.36Å
188A61Low59.8Low29 Ų29112 Ų11224%0.2460%0.595CS.*Hα-helixtrans-72.3-37.7173.900000112.3R184 M185 R191 H192R184-A188 WeakPolarHBondContact O-CB 3.3Å; R184-A188 PolarHBondContact O-N 2.93Å; M185-A188 CarbonylContact O-C 3.53Å; M185-A188 WeakPolarHBondContact O-CA 3.16Å; M185-A188 WeakPolarHBondContact O-CB 3.3Å; M185-A188 PolarHBondContact O-N 3.48Å; A188-R191 WeakPolarHBondContact O-CA 3.43Å; A188-R191 VanDerWaalsContact O-CB 3.27Å; A188-R191 WeakPolarHBondContact O-CB 3.39Å; A188-R191 PolarHBondContact O-N 3.37Å; A188-R191 VanDerWaalsContact O-N 3.08Å; A188-H192 PolarHBondContact O-CD2 3.27Å; A188-H192 PolarHBondContact O-N 3.01Å
189E56.2Low58.6Low145 Ų145120 Ų12068%0.67861%0.612SS**Hα-helixtrans-67.4-40.6176.5-163.7167.5-168.900111M185 A186 R191 H192 S193M185-E189 WeakPolarHBondContact O-CB 3.28Å; M185-E189 PolarHBondContact O-N 3.27Å; A186-E189 PolarHBondContact O-N 3.29Å; E189-R191 PolarHBondContact O-N 3.3Å; E189-H192 PolarHBondContact O-N 2.78Å; E189-S193 PolarHBondContact O-N 3.44Å
190H52.1Low57.5Low148 Ų148118.4 Ų118.469%0.68561%0.607SS**Hα-helixtrans-64.6-24.8169.9-131-69.5000113.3A186 S194A186-H190 WeakPolarHBondContact O-CB 3.36Å; A186-H190 PolarHBondContact O-N 2.99Å; H190-S194 WeakPolarHBondContact O-CB 3.42Å; H190-S194 PolarHBondContact O-OG 3.04Å
191R49.9Very low56.5Low185 Ų185125.1 Ų125.170%0.69862%0.622SS**Hα-helixtrans-75-30.1174.3-76.8170.1-175176.5-1.9113.1A187 A188 E189A187-R191 VanDerWaalsContact O-CG 3.23Å; A187-R191 WeakPolarHBondContact O-CG 3.48Å; A187-R191 PolarHBondContact O-N 3.36Å; A188-R191 WeakPolarHBondContact O-CA 3.43Å; A188-R191 VanDerWaalsContact O-CB 3.27Å; A188-R191 WeakPolarHBondContact O-CB 3.39Å; A188-R191 PolarHBondContact O-N 3.37Å; A188-R191 VanDerWaalsContact O-N 3.08Å; E189-R191 PolarHBondContact O-N 3.3Å
192H50.5Low55.3Low167 Ų167124.2 Ų124.277%0.77362%0.617SS**Hα-helixtrans-83.3-26.7179.5-69.9-64.1000113.1A188 E189A188-H192 PolarHBondContact O-CD2 3.27Å; A188-H192 PolarHBondContact O-N 3.01Å; E189-H192 PolarHBondContact O-N 2.78Å
193S52.8Low54.4Low112 Ų112119.7 Ų119.778%0.78361%0.61SS**Hα-helixtrans-87.4-16.8-178.9-160.80000114.2E189E189-S193 PolarHBondContact O-N 3.44Å
194S55.2Low53.4Low61 Ų61120 Ų12043%0.42762%0.62SS.*SBendtrans-91.5-10-173.449.90000115.8H190 L196H190-S194 WeakPolarHBondContact O-CB 3.42Å; H190-S194 PolarHBondContact O-OG 3.04Å; S194-L196 PolarHBondContact O-N 3.05Å
195G55.2Low52.6Low76 Ų76117.4 Ų117.478%0.78462%0.616SS**  trans56.611173.500000116.2
196L50.1Low51.8Low140 Ų140114.1 Ų114.173%0.73360%0.603SS**  trans-90.7133.8-173.4-83163.5000111S194 Y198S194-L196 PolarHBondContact O-N 3.05Å; L196-Y198 PolarHBondContact O-N 3.42Å
197P45.4Very low51.4Low107 Ų107116.2 Ų116.270%0.69561%0.61SS**  trans-62.7131.9177.323.5-30000110.5W199P197-W199 PolarHBondContact O-N 3.41Å; P197-W199 VanDerWaalsContact O-N 3.08Å
198Y43.1Very low51.1Low187 Ų187121.3 Ų121.373%0.73362%0.623SS**  trans-53.3108.3-179.3172.2-107.7000111.9L196 P200L196-Y198 PolarHBondContact O-N 3.42Å; Y198-P200 HydrophobicContact CD1-CG 4.19Å; Y198-P200 HydrophobicContact CE1-CB 3.81Å; Y198-P200 HydrophobicContact CE1-CG 3.55Å; Y198-P200 HydrophobicContact CE2-CB 4.17Å; Y198-P200 WeakPolarHBondContact OH-CB 3.5Å
199W45.2Very low51Low231 Ų231125 Ų12588%0.87564%0.639SS**  trans-99107.6155.8-88.786.2000107.9P197 Y201P197-W199 PolarHBondContact O-N 3.41Å; P197-W199 VanDerWaalsContact O-N 3.08Å; W199-Y201 PolarHBondContact O-N 2.97Å; W199-Y201 VanDerWaalsContact O-N 3.07Å
200P46Very low51Low61 Ų61126.8 Ų126.840%0.39664%0.639SS.*  trans-60120.6172.714.1-15000107.8Y198 L202Y198-P200 HydrophobicContact CD1-CG 4.19Å; Y198-P200 HydrophobicContact CE1-CB 3.81Å; Y198-P200 HydrophobicContact CE1-CG 3.55Å; Y198-P200 HydrophobicContact CE2-CB 4.17Å; Y198-P200 WeakPolarHBondContact OH-CB 3.5Å; P200-L202 VanDerWaalsContact C-N 3.32Å; P200-L202 PolarHBondContact O-N 3.21Å
201Y44.4Very low51.1Low222 Ų222126.8 Ų126.887%0.87164%0.641SS**  trans-53.1105160.8-138.4-93.8000105.8W199 T203W199-Y201 PolarHBondContact O-N 2.97Å; W199-Y201 VanDerWaalsContact O-N 3.07Å; Y201-T203 VanDerWaalsContact C-N 3.28Å; Y201-T203 PolarHBondContact O-N 3.14Å
202L47.3Very low51.3Low78 Ų78121 Ų12141%0.40864%0.64SS.*  trans-58.799.3172.7-81.6159.9000106.1P200 A204 T206 L207P200-L202 VanDerWaalsContact C-N 3.32Å; P200-L202 PolarHBondContact O-N 3.21Å; L202-A204 PolarHBondContact O-N 3.11Å; L202-T206 HydrophobicContact CD2-CG2 3.71Å; L202-L207 HydrophobicContact CB-CD1 4.32Å
203T55Low51.5Low88 Ų88120.4 Ų120.454%0.5464%0.637SS.*  trans-49.5141.7170.310.90000108.2Y201 E205 T206 L207Y201-T203 VanDerWaalsContact C-N 3.28Å; Y201-T203 PolarHBondContact O-N 3.14Å; T203-E205 PolarHBondContact O-N 3.31Å; T203-T206 WeakPolarHBondContact O-CA 3.33Å; T203-T206 WeakPolarHBondContact O-CB 3.36Å; T203-T206 PolarHBondContact O-N 3.46Å; T203-T206 PolarHBondContact O-OG1 3.41Å; T203-T206 PolarHBondContact OG1-OG1 2.62Å; T203-L207 PolarHBondContact O-N 3.12Å
204A51.5Low51.7Low84 Ų84123.6 Ų123.669%0.69464%0.639SS**Hα-helixtrans-52.8-27.6179.800000112.4L202 L207 K208L202-A204 PolarHBondContact O-N 3.11Å; A204-L207 PolarHBondContact O-N 3.41Å; A204-K208 VanDerWaalsContact O-CB 3.28Å; A204-K208 WeakPolarHBondContact O-CB 3.46Å; A204-K208 PolarHBondContact O-N 3.39Å
205E51.7Low52Low139 Ų139125.8 Ų125.865%0.6565%0.652SS**Hα-helixtrans-55-47.7168.7-133.193.5-143.900113.1T203 K208 N209T203-E205 PolarHBondContact O-N 3.31Å; E205-K208 PolarHBondContact O-N 2.82Å; E205-N209 VanDerWaalsContact O-CG 3.29Å; E205-N209 PolarHBondContact O-N 3.2Å; E205-N209 PolarHBondContact O-ND2 3.37Å
206T50.9Low52.3Low54 Ų54127.8 Ų127.833%0.33165%0.651SS.*Hα-helixtrans-71.5-34.4-177.5-290000111.6L202 T203 R210L202-T206 HydrophobicContact CD2-CG2 3.71Å; T203-T206 WeakPolarHBondContact O-CA 3.33Å; T203-T206 WeakPolarHBondContact O-CB 3.36Å; T203-T206 PolarHBondContact O-N 3.46Å; T203-T206 PolarHBondContact O-OG1 3.41Å; T203-T206 PolarHBondContact OG1-OG1 2.62Å; T206-R210 PolarHBondContact O-N 3.2Å
207L54.8Low52.8Low80 Ų80126.4 Ų126.442%0.41965%0.651SS.*Hα-helixtrans-71.2-36.6174.5-120.9152000111.7L202 T203 A204 R210 M211L202-L207 HydrophobicContact CB-CD1 4.32Å; T203-L207 PolarHBondContact O-N 3.12Å; A204-L207 PolarHBondContact O-N 3.41Å; L207-R210 PolarHBondContact O-N 3.5Å; L207-M211 HydrophobicContact CB-CE 4.47Å; L207-M211 HydrophobicContact CD2-CE 3.3Å; L207-M211 HydrophobicContact CG-CE 4.49Å; L207-M211 PolarHBondContact O-N 2.94Å
208K55.3Low52.9Low153 Ų153127.2 Ų127.267%0.66566%0.656SS**Hα-helixtrans-68-40175.6-167.3-177.1174.8-168.70112.3A204 E205 R210 M211 G212A204-K208 VanDerWaalsContact O-CB 3.28Å; A204-K208 WeakPolarHBondContact O-CB 3.46Å; A204-K208 PolarHBondContact O-N 3.39Å; E205-K208 PolarHBondContact O-N 2.82Å; K208-R210 VanDerWaalsContact C-N 3.29Å; K208-R210 PolarHBondContact O-N 3.43Å; K208-M211 PolarHBondContact O-N 2.96Å; K208-G212 PolarHBondContact O-N 3.43Å
209N57.7Low53.6Low107 Ų107124.7 Ų124.757%0.57266%0.66SS**Hα-helixtrans-68.6-27.2176.4-67.6-15.8000112.9E205 H213E205-N209 VanDerWaalsContact O-CG 3.29Å; E205-N209 PolarHBondContact O-N 3.2Å; E205-N209 PolarHBondContact O-ND2 3.37Å; N209-H213 PolarHBondContact O-ND1 3.26Å
210R56.3Low53.9Low182 Ų182122.4 Ų122.469%0.68766%0.659SS**Hα-helixtrans-80.1-33.3173.3-76.7-173.4176.7-175.9-0.5113.8T206 L207 K208 G212T206-R210 PolarHBondContact O-N 3.2Å; L207-R210 PolarHBondContact O-N 3.5Å; K208-R210 VanDerWaalsContact C-N 3.29Å; K208-R210 PolarHBondContact O-N 3.43Å; R210-G212 VanDerWaalsContact C-N 3.3Å
211M55Low53.9Low148 Ų148132 Ų13273%0.72970%0.699SS**Hα-helixtrans-74.8-17.3175.1-83.7-173.2-11000113.8L207 K208L207-M211 HydrophobicContact CB-CE 4.47Å; L207-M211 HydrophobicContact CD2-CE 3.3Å; L207-M211 HydrophobicContact CG-CE 4.49Å; L207-M211 PolarHBondContact O-N 2.94Å; K208-M211 PolarHBondContact O-N 2.96Å
212G53.5Low54.4Low65 Ų65127.5 Ų127.567%0.6769%0.69SS**THydrogen-bonded Turntrans-85.4-8.2179.500000115.6K208 R210K208-G212 PolarHBondContact O-N 3.43Å; R210-G212 VanDerWaalsContact C-N 3.3Å
213H55.5Low54.7Low153 Ų153130.1 Ų130.171%0.70871%0.705SS**  trans-97.1110.6176.8-75.580.2000109.4N209N209-H213 PolarHBondContact O-ND1 3.26Å
214Q57.6Low54.7Low179 Ų179132.4 Ų132.484%0.83671%0.714SS**PPolyproline II helixtrans-62.8140.9160.5-82.3-164.5-5.900108.8
215P60.3Low54.9Low108 Ų108135.3 Ų135.370%0.70172%0.715SS**PPolyproline II helixtrans-60141.4168.226-31.2000108.9
216P61.7Low55.1Low117 Ų117135.1 Ų135.176%0.7672%0.719SS**PPolyproline II helixtrans-58.6143.5175.125.3-32.4000109.4
217P60.8Low55.4Low111 Ų111140.5 Ų140.572%0.72175%0.745SS**PPolyproline II helixtrans-59.9148.1179.825.3-32.8000110.2T219P217-T219 PolarHBondContact O-N 3.34Å; P217-T219 VanDerWaalsContact O-N 3.14Å
218P48.4Very low55.4Low124 Ų124144.8 Ų144.881%0.80577%0.769SS**PPolyproline II helixtrans-60.9121179.625.1-32.3000109.2Q220P218-Q220 PolarHBondContact O-N 3.37Å; P218-Q220 VanDerWaalsContact O-N 3.11Å
219T56.8Low55.4Low134 Ų134144.2 Ų144.282%0.82278%0.777SS**  trans-60.7112.9169.6-41.40000107.5P217 Q221P217-T219 PolarHBondContact O-N 3.34Å; P217-T219 VanDerWaalsContact O-N 3.14Å; T219-Q221 PolarHBondContact O-N 3.03Å
220Q52.2Low55.2Low183 Ų183147.3 Ų147.386%0.85579%0.794SS**  trans-78.6109158.7-78.4-143.78.100107.5P218P218-Q220 PolarHBondContact O-N 3.37Å; P218-Q220 VanDerWaalsContact O-N 3.11Å
221Q44.9Very low55.1Low263 Ų263144.1 Ų144.1100%1.22980%0.803SS**  trans-175.10141.1-100169.518.300109.2T219T219-Q221 PolarHBondContact O-N 3.03Å

Retrieved 221 of 221 residues in 186.6 ms (Link to these results)