A0A087XCM2_POEFO Loading...

Kinesin-associated protein 3a

AlphaFold DB , UniProt , Accession A0A087XCM2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 789 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1I35.8Very low42.1Very low215 Ų215134.1 Ų134.1100%1.10370%0.701SS**  092.20-62.5169.1000106.7
2F26.6Very low44.1Very low216 Ų216135.2 Ų135.295%0.94769%0.688SS**  trans-164.198.3153.2-96.1-71.6000103.8
3S29.4Very low46.1Very low103 Ų103130.7 Ų130.772%0.7267%0.671SS**  trans-76.4120.5175.5175.70000107.7S5S3-S5 PolarHBondContact O-N 3.28Å; S3-S5 VanDerWaalsContact O-N 3.14Å
4T36.8Very low47.6Very low138 Ų138128.4 Ų128.485%0.84765%0.654SS**  trans-73.493.7165.827.50000108.7C6T4-C6 PolarHBondContact O-N 3.31Å
5S37.7Very low48.4Very low49 Ų49123.8 Ų123.834%0.34365%0.651SS.*  trans-73.5117.7169.7-67.40000109.8S3 F7 E40S3-S5 PolarHBondContact O-N 3.28Å; S3-S5 VanDerWaalsContact O-N 3.14Å; S5-F7 PolarHBondContact O-N 3.47Å; S5-E40 WeakPolarHBondContact CB-OE1 3.48Å; S5-E40 PolarHBondContact OG-OE1 2.72Å
6C41.1Very low49.9Very low96 Ų96118 Ų11865%0.64962%0.624SS**  trans-82.3108171.7-80.20000109.4T4T4-C6 PolarHBondContact O-N 3.31Å
7F46.7Very low51.7Low123 Ų123114.2 Ų114.254%0.53961%0.609SS.*PPolyproline II helixtrans-86.1135.3169.8-64.4-83.8000110.2S5 I37 M45S5-F7 PolarHBondContact O-N 3.47Å; F7-I37 HydrophobicContact CB-CG2 4.18Å; F7-I37 HydrophobicContact CD1-CG2 4.23Å; F7-M45 HydrophobicContact CE1-SD 4.29Å
8W48.8Very low53.7Low193 Ų193108.3 Ų108.373%0.73158%0.578SS**EExtended strand (participates in β ladder)trans-101.3126.7175.9-62.984.5000109.4L38W8-L38 PolarHBondContact O-N 3.45Å
9A50.4Low55.4Low89 Ų89107.2 Ų107.274%0.73657%0.572SS**EExtended strand (participates in β ladder)trans-102121.8176.300000110.2
10C49.6Very low57Low46 Ų46103.4 Ų103.431%0.31155%0.553SS.*EExtended strand (participates in β ladder)trans-101.6121.9171.6-171.10000108.7T36C10-T36 PolarHBondContact N-O 2.94Å; C10-T36 PolarHBondContact O-N 3.19Å
11R60.1Low58.3Low207 Ų207100 Ų10078%0.78153%0.534SS*.EExtended strand (participates in β ladder)trans-106.4120176.9-141.5178.1-166.6-1782.8108.7V33 E34R11-V33 HydrophobicContact CG-CG1 3.68Å; R11-E34 WeakPolarHBondContact CA-O 3.37Å
12R66.2Low60.1Low147 Ų14794.5 Ų94.556%0.55551%0.511SS*.EExtended strand (participates in β ladder)trans-118.3142.9175-64.3-174.1-155.7178.79.9109.5E34R12-E34 PolarHBondContact N-O 3.47Å; R12-E34 PolarHBondContact O-N 2.67Å
13V70.9Confident62.2Low77 Ų7787.7 Ų87.747%0.46749%0.488SS..EExtended strand (participates in β ladder)trans-102.9125.2171.8178.40000107.4Y31 E32 L80V13-Y31 HydrophobicContact CG1-CD2 3.8Å; V13-Y31 HydrophobicContact CG1-CG 4.25Å; V13-E32 CarbonylContact C-O 3.56Å; V13-E32 WeakPolarHBondContact CA-O 3.47Å; V13-L80 HydrophobicContact CG1-CD2 4.25Å; V13-L80 HydrophobicContact CG2-CD2 4.37Å
14K66.2Low64.6Low98 Ų9885.9 Ų85.943%0.42647%0.468SS..EExtended strand (participates in β ladder)trans-125.8147.2175.9-79.1-166.6-168.4149.10110.2E32 E34K14-E32 PolarHBondContact N-O 3.11Å; K14-E32 WeakPolarHBondContact O-CA 3.4Å; K14-E32 VanDerWaalsContact O-CB 3.26Å; K14-E32 WeakPolarHBondContact O-CB 3.41Å; K14-E32 PolarHBondContact O-N 3.19Å; K14-E34 WeakPolarHBondContact CD-OE1 3.41Å; K14-E34 WeakPolarHBondContact CE-OE2 3.43Å; K14-E34 IonicContact NZ-OE1 3.18Å; K14-E34 PolarHBondContact NZ-OE1 3.3Å; K14-E34 IonicContact NZ-OE2 3.47Å; K14-E34 PolarHBondContact NZ-OE2 3.25Å
15G60.4Low66.9Low60 Ų6084 Ų8462%0.61945%0.448SS*.EExtended strand (participates in β ladder)trans68.4130.7-177.900000111.9Y31G15-Y31 VanDerWaalsContact O-CA 3.31Å; G15-Y31 WeakPolarHBondContact O-CA 3.42Å; G15-Y31 WeakPolarHBondContact O-CB 3.37Å
16C72Confident69.3Low31 Ų3181.6 Ų81.621%0.20943%0.432CS..EExtended strand (participates in β ladder)trans-143.896.2172.1-179.10000107.4V29 Q30 L80 K85C16-V29 WeakPolarHBondContact SG-CG1 3.44Å; C16-Q30 WeakPolarHBondContact CA-O 3.47Å; C16-L80 PolarHBondContact SG-O 2.81Å; C16-K85 VanDerWaalsContact O-CE 3.24Å; C16-K85 WeakPolarHBondContact O-CE 3.44Å; C16-K85 PolarHBondContact O-NZ 3.2Å
17S80.7Confident71.6Confident54 Ų5477 Ų7738%0.37840%0.401SS..EExtended strand (participates in β ladder)trans-91.7141167.144.90000109.3Q30S17-Q30 PolarHBondContact N-O 3.21Å; S17-Q30 VanDerWaalsContact N-O 3.09Å; S17-Q30 PolarHBondContact O-N 3.07Å; S17-Q30 WeakPolarHBondContact OG-CB 3.29Å; S17-Q30 PolarHBondContact OG-OE1 3.15Å
18L87.6Confident73.5Confident7 Ų772.1 Ų72.14%0.03738%0.38CS..EExtended strand (participates in β ladder)trans-116.6123.9179.9-70.4169.6000108.1V29 I81 K85 E88 V89 L92L18-V29 HydrophobicContact CD2-CB 4.24Å; L18-V29 HydrophobicContact CD2-CG1 4.09Å; L18-V29 HydrophobicContact CD2-CG2 3.69Å; L18-I81 HydrophobicContact CD1-CG2 4.12Å; L18-I81 HydrophobicContact CD2-CD1 3.8Å; L18-I81 HydrophobicContact CD2-CG1 4.02Å; L18-K85 HydrophobicContact CD1-CB 4.12Å; L18-K85 HydrophobicContact CD1-CD 4.01Å; L18-E88 HydrophobicContact CD1-CG 4.42Å; L18-V89 HydrophobicContact CD1-CG2 3.71Å; L18-L92 HydrophobicContact CB-CD1 3.74Å
19D86.2Confident75.4Confident88 Ų8862.9 Ų62.947%0.47135%0.346SS..EExtended strand (participates in β ladder)trans-130.7166.1174.6-94.8-48.7000111.1L27 V28D19-L27 CarbonylContact O-C 3.58Å; D19-L27 WeakPolarHBondContact O-CA 3.12Å; D19-V28 PolarHBondContact N-O 3.27Å; D19-V28 PolarHBondContact O-N 3.34Å
20V87.4Confident77.1Confident31 Ų3163 Ų6319%0.18833%0.331CS..EExtended strand (participates in β ladder)trans-93140.9172.1-70.10000109.8L27 L92 Y95 L96V20-L27 HydrophobicContact CG1-CD2 4.09Å; V20-L92 HydrophobicContact CG1-CB 3.79Å; V20-L92 HydrophobicContact CG1-CD2 3.84Å; V20-L92 HydrophobicContact CG1-CG 4.31Å; V20-Y95 HydrophobicContact CB-CD1 4.41Å; V20-Y95 HydrophobicContact CG1-CD1 4.12Å; V20-Y95 HydrophobicContact CG2-CD1 3.89Å; V20-Y95 HydrophobicContact CG2-CE1 3.74Å; V20-L96 HydrophobicContact CB-CD1 4.38Å; V20-L96 HydrophobicContact CB-CD2 3.98Å; V20-L96 HydrophobicContact CB-CG 4.1Å; V20-L96 HydrophobicContact CG1-CD1 3.87Å; V20-L96 HydrophobicContact CG1-CD2 4.11Å; V20-L96 HydrophobicContact CG1-CG 3.65Å
21H82.9Confident78.7Confident33 Ų3363.1 Ų63.115%0.15333%0.325CS..  trans-65.3135.9174.9-167.7-79.9000110.3T23 E24 A26 V28 M55 R99H21-T23 PolarHBondContact CE1-OG1 3.36Å; H21-T23 PolarHBondContact ND1-N 2.95Å; H21-T23 PolarHBondContact ND1-OG1 3.44Å; H21-T23 PolarHBondContact O-N 2.91Å; H21-E24 HydrophobicContact CB-CB 4.33Å; H21-E24 PolarHBondContact ND1-N 3.12Å; H21-A26 HydrophobicContact CB-CB 3.98Å; H21-A26 WeakPolarHBondContact CB-O 3.37Å; H21-A26 PolarHBondContact N-O 3.11Å; H21-V28 HydrophobicContact CB-CG2 4.1Å; H21-M55 VanDerWaalsContact CD2-CE 3.5Å; H21-M55 WeakPolarHBondContact CD2-CE 3.22Å; H21-R99 PolarHBondContact O-NH1 3.28Å
22P74.4Confident79.6Confident98 Ų9855.7 Ų55.764%0.63630%0.299SS*.SBendtrans-61-30.9-173.620.2-32.5000113.4R99P22-R99 PolarHBondContact O-NH1 2.94Å; P22-R99 PolarHBondContact O-NH2 3.35Å
23T71.6Confident80.2Confident73 Ų7349.5 Ų49.545%0.44828%0.278SS..SBendtrans-119.8-50.1-176.855.10000114.2H21 R99H21-T23 PolarHBondContact CE1-OG1 3.36Å; H21-T23 PolarHBondContact ND1-N 2.95Å; H21-T23 PolarHBondContact ND1-OG1 3.44Å; H21-T23 PolarHBondContact O-N 2.91Å; T23-R99 VanDerWaalsContact CA-NH2 3.34Å; T23-R99 PolarHBondContact O-NH2 3.35Å
24E79.9Confident80.4Confident65 Ų6546.2 Ų46.230%0.30426%0.257SS..SBendtrans-72.2157.6176.9-60.4-171.4-16900115.3H21 A26 R57H21-E24 HydrophobicContact CB-CB 4.33Å; H21-E24 PolarHBondContact ND1-N 3.12Å; E24-A26 HydrophobicContact CB-CB 4.22Å; E24-A26 PolarHBondContact O-N 3.49Å; E24-R57 IonicContact OE1-CZ 3.4Å; E24-R57 IonicContact OE1-NE 2.67Å; E24-R57 IonicContact OE1-NH2 3.76Å; E24-R57 PolarHBondContact OE1-NH2 2.81Å; E24-R57 IonicContact OE2-CZ 3.12Å; E24-R57 IonicContact OE2-NE 2.77Å; E24-R57 PolarHBondContact OE2-NE 2.88Å; E24-R57 IonicContact OE2-NH2 3.73Å; E24-R57 PolarHBondContact OE2-NH2 3.24Å
25K84.5Confident80.6Confident98 Ų9843 Ų4343%0.42625%0.249SC..SBendtrans-77.272.9164.4-71.4-178.6174.3179.20110L58 L61K25-L58 WeakPolarHBondContact O-CB 3.46Å; K25-L58 PolarHBondContact O-N 3.16Å; K25-L61 HydrophobicContact CD-CB 4.41Å; K25-L61 HydrophobicContact CD-CD2 4.41Å; K25-L61 PolarHBondContact NZ-O 2.88Å
26A87.8Confident80.8Confident0 Ų041 Ų410%023%0.225CC..EExtended strand (participates in β ladder)trans-143.2151.7-177.900000111.9H21 E24 M55 I56 R57H21-A26 HydrophobicContact CB-CB 3.98Å; H21-A26 WeakPolarHBondContact CB-O 3.37Å; H21-A26 PolarHBondContact N-O 3.11Å; E24-A26 HydrophobicContact CB-CB 4.22Å; E24-A26 PolarHBondContact O-N 3.49Å; A26-M55 HydrophobicContact CB-CG 3.78Å; A26-M55 HydrophobicContact CB-SD 4.14Å; A26-I56 CarbonylContact C-O 3.58Å; A26-I56 WeakPolarHBondContact CA-O 3.28Å; A26-I56 WeakPolarHBondContact CB-O 3.46Å; A26-R57 HydrophobicContact CB-CG 4.19Å
27L88.7Confident80.4Confident0 Ų042.9 Ų42.90%023%0.232CC..EExtended strand (participates in β ladder)trans-95.8138.2168.3-63.3173.5000109.4D19 V20 M55 I56 L58 V74 V89 L92 L93 L96D19-L27 CarbonylContact O-C 3.58Å; D19-L27 WeakPolarHBondContact O-CA 3.12Å; V20-L27 HydrophobicContact CG1-CD2 4.09Å; L27-M55 CarbonylContact O-C 3.58Å; L27-M55 WeakPolarHBondContact O-CA 3.5Å; L27-I56 HydrophobicContact CB-CB 4.34Å; L27-I56 PolarHBondContact N-O 3.06Å; L27-I56 PolarHBondContact O-N 2.88Å; L27-L58 HydrophobicContact CG-CD1 4.15Å; L27-V74 HydrophobicContact CD1-CG1 4.2Å; L27-V89 HydrophobicContact CD1-CG1 3.93Å; L27-L92 HydrophobicContact CD2-CB 3.61Å; L27-L92 HydrophobicContact CD2-CD1 4.11Å; L27-L92 HydrophobicContact CD2-CG 4.5Å; L27-L93 HydrophobicContact CD1-CD2 4.22Å; L27-L96 HydrophobicContact CD2-CD1 4.1Å
28V87.9Confident79.5Confident19 Ų1942.8 Ų42.812%0.11523%0.227CC..EExtended strand (participates in β ladder)trans-106.2118.7174.7-176.40000107.8D19 H21 Q30D19-V28 PolarHBondContact N-O 3.27Å; D19-V28 PolarHBondContact O-N 3.34Å; H21-V28 HydrophobicContact CB-CG2 4.1Å; V28-Q30 HydrophobicContact CG1-CG 4.29Å
29V88.4Confident78Confident0 Ų042.9 Ų42.90%023%0.23CC..EExtended strand (participates in β ladder)trans-102.7110.7175.2-168.40000107.7C16 L18 Q53 K54 I56 L80 I81C16-V29 WeakPolarHBondContact SG-CG1 3.44Å; L18-V29 HydrophobicContact CD2-CB 4.24Å; L18-V29 HydrophobicContact CD2-CG1 4.09Å; L18-V29 HydrophobicContact CD2-CG2 3.69Å; V29-Q53 CarbonylContact O-C 3.59Å; V29-Q53 WeakPolarHBondContact O-CA 3.46Å; V29-K54 HydrophobicContact CB-CB 4.47Å; V29-K54 PolarHBondContact N-O 3.2Å; V29-K54 PolarHBondContact O-N 2.59Å; V29-I56 HydrophobicContact CG2-CD1 3.76Å; V29-I56 HydrophobicContact CG2-CG1 4.23Å; V29-L80 HydrophobicContact CG1-CB 4.27Å; V29-I81 HydrophobicContact CG1-CG1 4.45Å; V29-I81 HydrophobicContact CG2-CD1 4.05Å; V29-I81 HydrophobicContact CG2-CG1 4.23Å
30Q84.8Confident76.5Confident91 Ų9145.2 Ų45.243%0.42524%0.238SC..EExtended strand (participates in β ladder)trans-96130.2173-63.2173.5-12.600109C16 S17 V28C16-Q30 WeakPolarHBondContact CA-O 3.47Å; S17-Q30 PolarHBondContact N-O 3.21Å; S17-Q30 VanDerWaalsContact N-O 3.09Å; S17-Q30 PolarHBondContact O-N 3.07Å; S17-Q30 WeakPolarHBondContact OG-CB 3.29Å; S17-Q30 PolarHBondContact OG-OE1 3.15Å; V28-Q30 HydrophobicContact CG1-CG 4.29Å
31Y83.8Confident75Confident48 Ų4851.5 Ų51.519%0.18827%0.27CS..EExtended strand (participates in β ladder)trans-148.1148.2-177.364.8-79.4000111.1V13 G15 V33 C52 K54 L80V13-Y31 HydrophobicContact CG1-CD2 3.8Å; V13-Y31 HydrophobicContact CG1-CG 4.25Å; G15-Y31 VanDerWaalsContact O-CA 3.31Å; G15-Y31 WeakPolarHBondContact O-CA 3.42Å; G15-Y31 WeakPolarHBondContact O-CB 3.37Å; Y31-V33 HydrophobicContact CD2-CG2 3.67Å; Y31-V33 HydrophobicContact CE2-CG2 3.4Å; Y31-C52 HydrophobicContact CD1-CB 4.28Å; Y31-C52 HydrophobicContact CD2-CB 4.09Å; Y31-C52 HydrophobicContact CE1-CB 3.79Å; Y31-C52 HydrophobicContact CE2-CB 3.63Å; Y31-C52 HydrophobicContact CG-CB 4.41Å; Y31-C52 VanDerWaalsContact CZ-CB 3.45Å; Y31-C52 PolarHBondContact N-O 3.28Å; Y31-C52 WeakPolarHBondContact O-CA 3.43Å; Y31-C52 PolarHBondContact O-N 3.01Å; Y31-K54 HydrophobicContact CE1-CB 3.9Å; Y31-L80 HydrophobicContact CD1-CD1 3.84Å; Y31-L80 HydrophobicContact CD2-CD2 4.3Å; Y31-L80 HydrophobicContact CE1-CD1 3.57Å; Y31-L80 HydrophobicContact CE2-CD1 4.31Å; Y31-L80 HydrophobicContact CE2-CD2 4.31Å; Y31-L80 HydrophobicContact CG-CD1 4.34Å
32E79.5Confident73.7Confident52 Ų5252.2 Ų52.224%0.24329%0.286CS..EExtended strand (participates in β ladder)trans-99.3131.3177.2-168.8-179.7-173.200109.1V13 K14 R49V13-E32 CarbonylContact C-O 3.56Å; V13-E32 WeakPolarHBondContact CA-O 3.47Å; K14-E32 PolarHBondContact N-O 3.11Å; K14-E32 WeakPolarHBondContact O-CA 3.4Å; K14-E32 VanDerWaalsContact O-CB 3.26Å; K14-E32 WeakPolarHBondContact O-CB 3.41Å; K14-E32 PolarHBondContact O-N 3.19Å; E32-R49 WeakPolarHBondContact OE1-CB 3.46Å; E32-R49 WeakPolarHBondContact OE1-CD 3.36Å
33V78.6Confident73Confident16 Ų1654 Ų5410%0.09729%0.286CS..EExtended strand (participates in β ladder)trans-104.4115.8172.8-175.70000108.6R11 Y31 K50 C52R11-V33 HydrophobicContact CG-CG1 3.68Å; Y31-V33 HydrophobicContact CD2-CG2 3.67Å; Y31-V33 HydrophobicContact CE2-CG2 3.4Å; V33-K50 PolarHBondContact N-O 2.84Å; V33-K50 PolarHBondContact O-N 3.05Å; V33-C52 HydrophobicContact CG2-CB 4.49Å
34E74.6Confident72.3Confident8 Ų854.8 Ų54.84%0.03729%0.292CS..EExtended strand (participates in β ladder)trans-95.2121.3170.6-63-179162.600108.6R11 R12 K14 R49R11-E34 WeakPolarHBondContact CA-O 3.37Å; R12-E34 PolarHBondContact N-O 3.47Å; R12-E34 PolarHBondContact O-N 2.67Å; K14-E34 WeakPolarHBondContact CD-OE1 3.41Å; K14-E34 WeakPolarHBondContact CE-OE2 3.43Å; K14-E34 IonicContact NZ-OE1 3.18Å; K14-E34 PolarHBondContact NZ-OE1 3.3Å; K14-E34 IonicContact NZ-OE2 3.47Å; K14-E34 PolarHBondContact NZ-OE2 3.25Å; E34-R49 HydrophobicContact CG-CG 4.14Å; E34-R49 IonicContact OE1-CZ 3.91Å; E34-R49 IonicContact OE1-NE 2.6Å
35A70.3Confident71.1Confident31 Ų3157.7 Ų57.726%0.25631%0.307SS..EExtended strand (participates in β ladder)trans-106.9116.3169.700000109E48A35-E48 PolarHBondContact N-O 3.21Å; A35-E48 PolarHBondContact O-N 3.4Å
36T65.4Low69.6Low19 Ų1956.9 Ų56.912%0.11731%0.31CS..EExtended strand (participates in β ladder)trans-109.8119.6175.1-43.50000109.2C10 L38 P44 V46C10-T36 PolarHBondContact N-O 2.94Å; C10-T36 PolarHBondContact O-N 3.19Å; T36-L38 HydrophobicContact CG2-CD2 4.07Å; T36-P44 HydrophobicContact CG2-CB 3.68Å; T36-V46 WeakPolarHBondContact CA-O 3.26Å
37I63.7Low68.1Low69 Ų6961.7 Ų61.735%0.35433%0.333SS..EExtended strand (participates in β ladder)trans-90.2118.1171.9-57.2177000107.7F7 M45 V46F7-I37 HydrophobicContact CB-CG2 4.18Å; F7-I37 HydrophobicContact CD1-CG2 4.23Å; I37-M45 PolarHBondContact O-N 3.42Å; I37-V46 PolarHBondContact N-O 3.18Å
38L60.8Low66.8Low52 Ų5268.4 Ų68.427%0.27236%0.364SS..EExtended strand (participates in β ladder)trans-93.5133.2179.4-59.9173.7000109.9W8 T36 E43 P44W8-L38 PolarHBondContact O-N 3.45Å; T36-L38 HydrophobicContact CG2-CD2 4.07Å; L38-E43 WeakPolarHBondContact CA-O 3.49Å; L38-P44 HydrophobicContact CD2-CB 4.4Å
39G56.2Low66.1Low9 Ų974.3 Ų74.39%0.09338%0.384CS..  trans-71.1174.8170.700000112.5L41 G42 E43 M45G39-L41 PolarHBondContact O-N 2.91Å; G39-G42 PolarHBondContact O-N 3.34Å; G39-E43 PolarHBondContact N-O 3.45Å; G39-M45 VanDerWaalsContact CA-SD 3.56Å
40E55.8Low65.3Low138 Ų13881.2 Ų81.265%0.64541%0.414SS*.THydrogen-bonded Turntrans-58.7-19.4-173.9-66.8-178.317600114.5S5S5-E40 WeakPolarHBondContact CB-OE1 3.48Å; S5-E40 PolarHBondContact OG-OE1 2.72Å
41L56Low65Low163 Ų16383.3 Ų83.385%0.85343%0.428SS*.THydrogen-bonded Turntrans-103.67.4177.3-68.4166.7000114.1G39G39-L41 PolarHBondContact O-N 2.91Å
42G56.1Low64.5Low48 Ų4882.6 Ų82.650%0.49543%0.43SS..SBendtrans82.910.8-179.600000114.9G39G39-G42 PolarHBondContact O-N 3.34Å
43E57.8Low64.7Low136 Ų13687.2 Ų87.264%0.63645%0.452SS*.  trans-83.6136.6176.1-56.5-159.2-173.300111.1L38 G39 M45L38-E43 WeakPolarHBondContact CA-O 3.49Å; G39-E43 PolarHBondContact N-O 3.45Å; E43-M45 PolarHBondContact O-N 3Å
44P58.6Low64.9Low89 Ų8990.7 Ų90.758%0.57847%0.466SS*.EExtended strand (participates in β ladder)trans-69.4118.7178.928.2-32.5000110.3T36 L38T36-P44 HydrophobicContact CG2-CB 3.68Å; L38-P44 HydrophobicContact CD2-CB 4.4Å
45M52.9Low65.3Low125 Ų12594 Ų9462%0.61648%0.482SS*.EExtended strand (participates in β ladder)trans-97.8-34-179.1-68.4-171.571.300113F7 I37 G39 E43F7-M45 HydrophobicContact CE1-SD 4.29Å; I37-M45 PolarHBondContact O-N 3.42Å; G39-M45 VanDerWaalsContact CA-SD 3.56Å; E43-M45 PolarHBondContact O-N 3Å
46V53Low66.1Low81 Ų8194 Ų9449%0.49148%0.477SS..EExtended strand (participates in β ladder)trans-144.8128.2177.8-178.80000108.6T36 I37T36-V46 WeakPolarHBondContact CA-O 3.26Å; I37-V46 PolarHBondContact N-O 3.18Å
47E57.8Low67Low101 Ų10199.1 Ų99.147%0.47249%0.494SS..EExtended strand (participates in β ladder)trans-115.6111.6174.1-164.6-177.9157.500108R49E47-R49 IonicContact OE1-CZ 2.78Å; E47-R49 IonicContact OE1-NE 3.14Å; E47-R49 PolarHBondContact OE1-NE 2.94Å; E47-R49 VanDerWaalsContact OE1-NE 3.08Å; E47-R49 IonicContact OE1-NH2 3.85Å; E47-R49 PolarHBondContact OE1-NH2 2.99Å
48E60.5Low68Low141 Ų14196.4 Ų96.466%0.65948%0.48SS*.EExtended strand (participates in β ladder)trans-111.7127.8177.9-160.7-179.8-17500108.7A35A35-E48 PolarHBondContact N-O 3.21Å; A35-E48 PolarHBondContact O-N 3.4Å
49R73.3Confident68.6Low143 Ų143103.7 Ų103.754%0.5451%0.51SS..EExtended strand (participates in β ladder)trans-114.4134.2179.8-55.9-162.2-174.5164.7-1.8109.8E32 E34 E47E32-R49 WeakPolarHBondContact OE1-CB 3.46Å; E32-R49 WeakPolarHBondContact OE1-CD 3.36Å; E34-R49 HydrophobicContact CG-CG 4.14Å; E34-R49 IonicContact OE1-CZ 3.91Å; E34-R49 IonicContact OE1-NE 2.6Å; E47-R49 IonicContact OE1-CZ 2.78Å; E47-R49 IonicContact OE1-NE 3.14Å; E47-R49 PolarHBondContact OE1-NE 2.94Å; E47-R49 VanDerWaalsContact OE1-NE 3.08Å; E47-R49 IonicContact OE1-NH2 3.85Å; E47-R49 PolarHBondContact OE1-NH2 2.99Å
50K72.9Confident69.3Low145 Ų145106.7 Ų106.763%0.6353%0.529SS*.EExtended strand (participates in β ladder)trans-138.3121.2179.2-173.1173.5-179.2171.10111.1V33V33-K50 PolarHBondContact N-O 2.84Å; V33-K50 PolarHBondContact O-N 3.05Å
51D77.3Confident70.5Confident135 Ų135100.4 Ų100.472%0.72250%0.5SS*.EExtended strand (participates in β ladder)trans-69.8129.3169.1-64.3-38.8000109.9
52C73.9Confident71.6Confident34 Ų3496.5 Ų96.523%0.2348%0.48CS..EExtended strand (participates in β ladder)trans-130.9148.5-177.1-66.20000109.9Y31 V33Y31-C52 HydrophobicContact CD1-CB 4.28Å; Y31-C52 HydrophobicContact CD2-CB 4.09Å; Y31-C52 HydrophobicContact CE1-CB 3.79Å; Y31-C52 HydrophobicContact CE2-CB 3.63Å; Y31-C52 HydrophobicContact CG-CB 4.41Å; Y31-C52 VanDerWaalsContact CZ-CB 3.45Å; Y31-C52 PolarHBondContact N-O 3.28Å; Y31-C52 WeakPolarHBondContact O-CA 3.43Å; Y31-C52 PolarHBondContact O-N 3.01Å; V33-C52 HydrophobicContact CG2-CB 4.49Å
53Q83.4Confident72.6Confident149 Ų14998.2 Ų98.270%0.69649%0.49SS*.EExtended strand (participates in β ladder)trans-124.4138.1173.860.8177.9-4.600110.4V29V29-Q53 CarbonylContact O-C 3.59Å; V29-Q53 WeakPolarHBondContact O-CA 3.46Å
54K83Confident73.5Confident89 Ų8999 Ų9939%0.38750%0.498SS..EExtended strand (participates in β ladder)trans-123.2126.9172-175.3179.7-175.9-175.70109.6V29 Y31 L80V29-K54 HydrophobicContact CB-CB 4.47Å; V29-K54 PolarHBondContact N-O 3.2Å; V29-K54 PolarHBondContact O-N 2.59Å; Y31-K54 HydrophobicContact CE1-CB 3.9Å; K54-L80 HydrophobicContact CB-CD1 4.16Å; K54-L80 HydrophobicContact CD-CD1 3.61Å
55M83.2Confident74.8Confident77 Ų7796 Ų9638%0.37948%0.479SS..EExtended strand (participates in β ladder)trans-95.8129.6176.7-169.2-172.6-62.700110.5H21 A26 L27 R57H21-M55 VanDerWaalsContact CD2-CE 3.5Å; H21-M55 WeakPolarHBondContact CD2-CE 3.22Å; A26-M55 HydrophobicContact CB-CG 3.78Å; A26-M55 HydrophobicContact CB-SD 4.14Å; L27-M55 CarbonylContact O-C 3.58Å; L27-M55 WeakPolarHBondContact O-CA 3.5Å; M55-R57 HydrophobicContact CG-CG 4.28Å; M55-R57 HydrophobicContact SD-CG 3.97Å
56I85.9Confident76.4Confident30 Ų3094.4 Ų94.415%0.15447%0.472CS..EExtended strand (participates in β ladder)trans-109.5101.8174.7-54.8176.3000107.9A26 L27 V29 L58 V74 C78 I81A26-I56 CarbonylContact C-O 3.58Å; A26-I56 WeakPolarHBondContact CA-O 3.28Å; A26-I56 WeakPolarHBondContact CB-O 3.46Å; L27-I56 HydrophobicContact CB-CB 4.34Å; L27-I56 PolarHBondContact N-O 3.06Å; L27-I56 PolarHBondContact O-N 2.88Å; V29-I56 HydrophobicContact CG2-CD1 3.76Å; V29-I56 HydrophobicContact CG2-CG1 4.23Å; I56-L58 HydrophobicContact CG2-CD2 4.43Å; I56-V74 HydrophobicContact CD1-CG1 4.09Å; I56-V74 HydrophobicContact CG2-CG1 4.41Å; I56-C78 HydrophobicContact CD1-CB 3.93Å; I56-I81 HydrophobicContact CD1-CD1 3.78Å
57R84.1Confident78Confident127 Ų12791.3 Ų91.348%0.47945%0.454SS..EExtended strand (participates in β ladder)trans-81.6124.8-179-71.9-179.8164.3156.7-1111.4E24 A26 M55 K59E24-R57 IonicContact OE1-CZ 3.4Å; E24-R57 IonicContact OE1-NE 2.67Å; E24-R57 IonicContact OE1-NH2 3.76Å; E24-R57 PolarHBondContact OE1-NH2 2.81Å; E24-R57 IonicContact OE2-CZ 3.12Å; E24-R57 IonicContact OE2-NE 2.77Å; E24-R57 PolarHBondContact OE2-NE 2.88Å; E24-R57 IonicContact OE2-NH2 3.73Å; E24-R57 PolarHBondContact OE2-NH2 3.24Å; A26-R57 HydrophobicContact CB-CG 4.19Å; M55-R57 HydrophobicContact CG-CG 4.28Å; M55-R57 HydrophobicContact SD-CG 3.97Å; R57-K59 PolarHBondContact O-N 3.33Å
58L84.5Confident79.4Confident12 Ų1288 Ų886%0.06344%0.443CS..  trans-101.674.7-172.8-58158.8000110.4K25 L27 I56 S60 L61 L70 V74 L93 L96K25-L58 WeakPolarHBondContact O-CB 3.46Å; K25-L58 PolarHBondContact O-N 3.16Å; L27-L58 HydrophobicContact CG-CD1 4.15Å; I56-L58 HydrophobicContact CG2-CD2 4.43Å; L58-S60 PolarHBondContact O-N 3.42Å; L58-S60 VanDerWaalsContact O-N 3.17Å; L58-L61 HydrophobicContact CB-CB 4.02Å; L58-L61 HydrophobicContact CD1-CD2 4.3Å; L58-L61 PolarHBondContact O-N 3.06Å; L58-L70 HydrophobicContact CD2-CD2 4.33Å; L58-V74 HydrophobicContact CD2-CG2 3.87Å; L58-L93 HydrophobicContact CD1-CD2 3.13Å; L58-L93 HydrophobicContact CD2-CD2 3.87Å; L58-L93 HydrophobicContact CG-CD2 4.09Å; L58-L96 HydrophobicContact CD1-CD1 3.88Å
59K74.8Confident80.7Confident205 Ų20584.5 Ų84.589%0.89144%0.435SS*.THydrogen-bonded Turntrans-61.2-25.3-173.8-63.6-175.5179.4-177.50114.1R57R57-K59 PolarHBondContact O-N 3.33Å
60S70.9Confident81.4Confident72 Ų7278.7 Ų78.750%0.50341%0.414SS..THydrogen-bonded Turntrans-97.93.4-177.153.40000114.7L58 N62 T65L58-S60 PolarHBondContact O-N 3.42Å; L58-S60 VanDerWaalsContact O-N 3.17Å; S60-N62 PolarHBondContact O-N 3.1Å; S60-T65 PolarHBondContact O-OG1 3.48Å
61L80.9Confident82.2Confident6 Ų671.8 Ų71.83%0.03138%0.384CS..  trans-78.6107.8-176.9-172.373.7000111.7K25 L58 T65 L70 L96 Q97K25-L61 HydrophobicContact CD-CB 4.41Å; K25-L61 HydrophobicContact CD-CD2 4.41Å; K25-L61 PolarHBondContact NZ-O 2.88Å; L58-L61 HydrophobicContact CB-CB 4.02Å; L58-L61 HydrophobicContact CD1-CD2 4.3Å; L58-L61 PolarHBondContact O-N 3.06Å; L61-T65 HydrophobicContact CD1-CG2 4.19Å; L61-L70 HydrophobicContact CD1-CD2 3.83Å; L61-L96 HydrophobicContact CD2-CB 3.65Å; L61-Q97 HydrophobicContact CD1-CB 4.42Å
62N79.1Confident82.7Confident81 Ų8170.3 Ų70.343%0.43337%0.373SS..  trans-131178176.766.856.4000110.9S60 N64 T65 Q97S60-N62 PolarHBondContact O-N 3.1Å; N62-N64 PolarHBondContact O-N 3.17Å; N62-N64 VanDerWaalsContact O-N 3.11Å; N62-N64 WeakPolarHBondContact OD1-CA 3.49Å; N62-N64 PolarHBondContact OD1-N 3.32Å; N62-T65 PolarHBondContact N-OG1 2.91Å; N62-T65 WeakPolarHBondContact O-CB 3.34Å; N62-T65 PolarHBondContact O-N 3.08Å; N62-T65 VanDerWaalsContact O-N 3.16Å; N62-T65 PolarHBondContact O-OG1 3.5Å; N62-T65 PolarHBondContact OD1-N 3.4Å; N62-T65 PolarHBondContact OD1-OG1 2.69Å; N62-Q97 PolarHBondContact O-NE2 2.92Å
63A77.3Confident83.3Confident84 Ų8474.1 Ų74.169%0.69439%0.386SS*.THydrogen-bonded Turntrans-62.3-17.8-175.600000114.6Q97A63-Q97 PolarHBondContact O-NE2 3.4Å
64N76.6Confident83.5Confident153 Ų15367.5 Ų67.582%0.81836%0.355SS*.THydrogen-bonded Turntrans-1073.4-178.6-60.4-22.1000112.7N62N62-N64 PolarHBondContact O-N 3.17Å; N62-N64 VanDerWaalsContact O-N 3.11Å; N62-N64 WeakPolarHBondContact OD1-CA 3.49Å; N62-N64 PolarHBondContact OD1-N 3.32Å
65T84.2Confident83.8Confident27 Ų2764.1 Ų64.117%0.16634%0.342CS..  trans-72.8129.7-179.8-530000110.8S60 L61 N62 T67 L70 Q97S60-T65 PolarHBondContact O-OG1 3.48Å; L61-T65 HydrophobicContact CD1-CG2 4.19Å; N62-T65 PolarHBondContact N-OG1 2.91Å; N62-T65 WeakPolarHBondContact O-CB 3.34Å; N62-T65 PolarHBondContact O-N 3.08Å; N62-T65 VanDerWaalsContact O-N 3.16Å; N62-T65 PolarHBondContact O-OG1 3.5Å; N62-T65 PolarHBondContact OD1-N 3.4Å; N62-T65 PolarHBondContact OD1-OG1 2.69Å; T65-T67 PolarHBondContact O-N 3.19Å; T65-L70 HydrophobicContact CG2-CD2 4Å; T65-Q97 PolarHBondContact O-NE2 2.95Å
66D87.4Confident83.9Confident90 Ų9067.4 Ų67.448%0.48136%0.357SS..  trans-71.4106.9169.6176.313.2000110.2A68 S69 L70D66-A68 VanDerWaalsContact C-N 3.28Å; D66-A68 PolarHBondContact O-N 3.38Å; D66-A68 WeakPolarHBondContact OD1-CB 3.41Å; D66-A68 PolarHBondContact OD1-N 2.96Å; D66-S69 VanDerWaalsContact OD2-CB 3.29Å; D66-S69 WeakPolarHBondContact OD2-CB 3.36Å; D66-S69 PolarHBondContact OD2-OG 3Å; D66-L70 WeakPolarHBondContact O-CB 3.46Å; D66-L70 PolarHBondContact O-N 3.42Å; D66-L70 VanDerWaalsContact O-N 3.17Å
67T87.6Confident83.9Confident16 Ų1672.4 Ų72.410%0.09838%0.379CS..Hα-helixtrans-66.7-28.4-177.649.90000112.7T65 A71 L93 F94T65-T67 PolarHBondContact O-N 3.19Å; T67-A71 VanDerWaalsContact O-CB 3.29Å; T67-A71 WeakPolarHBondContact O-CB 3.31Å; T67-A71 PolarHBondContact O-N 3.3Å; T67-L93 HydrophobicContact CG2-CB 4.18Å; T67-F94 HydrophobicContact CG2-CB 4.49Å
68A86.5Confident83.9Confident31 Ų3166.6 Ų66.626%0.25636%0.359SS..Hα-helixtrans-70.8-48.5-179.600000111.3D66 L70 A71 Q72 E90D66-A68 VanDerWaalsContact C-N 3.28Å; D66-A68 PolarHBondContact O-N 3.38Å; D66-A68 WeakPolarHBondContact OD1-CB 3.41Å; D66-A68 PolarHBondContact OD1-N 2.96Å; A68-L70 VanDerWaalsContact C-N 3.33Å; A68-L70 PolarHBondContact O-N 2.89Å; A68-A71 PolarHBondContact O-N 2.97Å; A68-Q72 PolarHBondContact O-N 3.14Å; A68-Q72 VanDerWaalsContact O-N 3.16Å; A68-E90 WeakPolarHBondContact CB-OE1 3.46Å
69S87.5Confident83.6Confident68 Ų6874.7 Ų74.748%0.47640%0.395SS..Hα-helixtrans-63.7-38.3176-65.40000112D66 K73D66-S69 VanDerWaalsContact OD2-CB 3.29Å; D66-S69 WeakPolarHBondContact OD2-CB 3.36Å; D66-S69 PolarHBondContact OD2-OG 3Å; S69-K73 PolarHBondContact O-N 2.91Å
70L87.7Confident84Confident22 Ų2266.8 Ų66.812%0.11536%0.363CS..Hα-helixtrans-68.9-38.7177-175.161.9000112.2L58 L61 T65 D66 A68 Q72 K73 V74 L93L58-L70 HydrophobicContact CD2-CD2 4.33Å; L61-L70 HydrophobicContact CD1-CD2 3.83Å; T65-L70 HydrophobicContact CG2-CD2 4Å; D66-L70 WeakPolarHBondContact O-CB 3.46Å; D66-L70 PolarHBondContact O-N 3.42Å; D66-L70 VanDerWaalsContact O-N 3.17Å; A68-L70 VanDerWaalsContact C-N 3.33Å; A68-L70 PolarHBondContact O-N 2.89Å; L70-Q72 PolarHBondContact O-N 3.2Å; L70-K73 PolarHBondContact O-N 2.82Å; L70-V74 HydrophobicContact CD1-CG2 4.44Å; L70-V74 HydrophobicContact CG-CG2 4.43Å; L70-V74 VanDerWaalsContact O-CG2 3.29Å; L70-V74 WeakPolarHBondContact O-CG2 3.41Å; L70-V74 PolarHBondContact O-N 3.4Å; L70-L93 HydrophobicContact CB-CD1 4.13Å; L70-L93 HydrophobicContact CD2-CD1 4.17Å; L70-L93 HydrophobicContact CD2-CD2 4.18Å; L70-L93 HydrophobicContact CG-CD1 3.97Å
71A89.3Confident84.6Confident0 Ų063.6 Ų63.60%034%0.34CS..Hα-helixtrans-60.7-43.9176.100000111.8T67 A68 K73 V74 V75 L86 V89 E90 L93T67-A71 VanDerWaalsContact O-CB 3.29Å; T67-A71 WeakPolarHBondContact O-CB 3.31Å; T67-A71 PolarHBondContact O-N 3.3Å; A68-A71 PolarHBondContact O-N 2.97Å; A71-K73 PolarHBondContact O-N 3.38Å; A71-V74 PolarHBondContact O-N 3.45Å; A71-V75 WeakPolarHBondContact O-CG2 3.19Å; A71-V75 PolarHBondContact O-N 3.01Å; A71-L86 HydrophobicContact CB-CD1 4.02Å; A71-V89 HydrophobicContact CB-CB 4.43Å; A71-V89 HydrophobicContact CB-CG1 3.99Å; A71-E90 HydrophobicContact CB-CB 3.82Å; A71-E90 HydrophobicContact CB-CG 4.38Å; A71-L93 HydrophobicContact CB-CD1 3.89Å
72Q88.5Confident84.7Confident104 Ų10469.1 Ų69.149%0.48637%0.365SS..Hα-helixtrans-58.4-48.3175.9-73.7179.41.700111.1A68 L70 V74 V75 E76 L86A68-Q72 PolarHBondContact O-N 3.14Å; A68-Q72 VanDerWaalsContact O-N 3.16Å; L70-Q72 PolarHBondContact O-N 3.2Å; Q72-V74 PolarHBondContact O-N 2.85Å; Q72-V75 PolarHBondContact O-N 3.38Å; Q72-E76 WeakPolarHBondContact O-CG 3.45Å; Q72-E76 PolarHBondContact O-N 3.44Å; Q72-L86 HydrophobicContact CB-CD1 4.46Å; Q72-L86 HydrophobicContact CG-CD1 3.96Å; Q72-L86 HydrophobicContact CG-CD2 4.2Å
73K87.7Confident85Confident113 Ų11369.6 Ų69.649%0.49137%0.373SS..Hα-helixtrans-61.3-41.5178.4-171173.1179.8175.80112.8S69 L70 A71 V75 E76 E77S69-K73 PolarHBondContact O-N 2.91Å; L70-K73 PolarHBondContact O-N 2.82Å; A71-K73 PolarHBondContact O-N 3.38Å; K73-V75 PolarHBondContact O-N 3.49Å; K73-E76 PolarHBondContact O-N 3.39Å; K73-E77 WeakPolarHBondContact CE-OE1 3.43Å; K73-E77 HydrophobicContact CG-CG 4.38Å; K73-E77 IonicContact NZ-OE1 3.53Å; K73-E77 WeakPolarHBondContact O-CB 3.48Å; K73-E77 WeakPolarHBondContact O-CG 3.49Å; K73-E77 PolarHBondContact O-N 3.31Å
74V86.8Confident85.3Confident10 Ų1070.1 Ų70.16%0.06137%0.371CS..Hα-helixtrans-64-40.3178.4169.10000111.6L27 I56 L58 L70 A71 Q72 C78 I81 V89L27-V74 HydrophobicContact CD1-CG1 4.2Å; I56-V74 HydrophobicContact CD1-CG1 4.09Å; I56-V74 HydrophobicContact CG2-CG1 4.41Å; L58-V74 HydrophobicContact CD2-CG2 3.87Å; L70-V74 HydrophobicContact CD1-CG2 4.44Å; L70-V74 HydrophobicContact CG-CG2 4.43Å; L70-V74 VanDerWaalsContact O-CG2 3.29Å; L70-V74 WeakPolarHBondContact O-CG2 3.41Å; L70-V74 PolarHBondContact O-N 3.4Å; A71-V74 PolarHBondContact O-N 3.45Å; Q72-V74 PolarHBondContact O-N 2.85Å; V74-C78 WeakPolarHBondContact O-CB 3.24Å; V74-C78 PolarHBondContact O-N 2.89Å; V74-I81 HydrophobicContact CG1-CD1 4.13Å; V74-V89 HydrophobicContact CB-CG1 4.3Å; V74-V89 HydrophobicContact CG1-CG1 4.08Å
75V88.6Confident85.7Confident19 Ų1965.1 Ų65.112%0.11534%0.342CS..Hα-helixtrans-70.9-37.3177.5172.70000111.5A71 Q72 K73 I81 P83 L86 V89A71-V75 WeakPolarHBondContact O-CG2 3.19Å; A71-V75 PolarHBondContact O-N 3.01Å; Q72-V75 PolarHBondContact O-N 3.38Å; K73-V75 PolarHBondContact O-N 3.49Å; V75-I81 HydrophobicContact CG2-CG2 4.03Å; V75-P83 HydrophobicContact CG1-CB 4.5Å; V75-L86 HydrophobicContact CB-CD1 4.26Å; V75-L86 HydrophobicContact CG2-CD1 3.82Å; V75-V89 HydrophobicContact CG2-CB 4.44Å; V75-V89 HydrophobicContact CG2-CG2 4.05Å
76E86.9Confident86Confident145 Ų14566.4 Ų66.468%0.67835%0.348SS*.Hα-helixtrans-67.3-41.9175.9-74.7176.8178.900112.6Q72 K73Q72-E76 WeakPolarHBondContact O-CG 3.45Å; Q72-E76 PolarHBondContact O-N 3.44Å; K73-E76 PolarHBondContact O-N 3.39Å
77E85.2Confident85.9Confident135 Ų13565.5 Ų65.563%0.63135%0.353SS*.Hα-helixtrans-81.4-20.3-177.8-69.9-175.5178.200113.5K73K73-E77 WeakPolarHBondContact CE-OE1 3.43Å; K73-E77 HydrophobicContact CG-CG 4.38Å; K73-E77 IonicContact NZ-OE1 3.53Å; K73-E77 WeakPolarHBondContact O-CB 3.48Å; K73-E77 WeakPolarHBondContact O-CG 3.49Å; K73-E77 PolarHBondContact O-N 3.31Å
78C83.2Confident85.9Confident6 Ų668.1 Ų68.14%0.04136%0.364CS..  trans-111.395.7-178.3-165.40000113.2I56 V74 L80 I81I56-C78 HydrophobicContact CD1-CB 3.93Å; V74-C78 WeakPolarHBondContact O-CB 3.24Å; V74-C78 PolarHBondContact O-N 2.89Å; C78-L80 PolarHBondContact O-N 2.9Å; C78-I81 HydrophobicContact CB-CD1 4.12Å; C78-I81 HydrophobicContact CB-CG1 4.2Å; C78-I81 PolarHBondContact O-N 3.11Å
79H79.3Confident86.1Confident181 Ų18166.6 Ų66.684%0.83835%0.352SS*.THydrogen-bonded Turntrans-61.8-7.2178.3-52.2-45000115.9
80L83Confident86.3Confident40 Ų4067 Ų6721%0.20935%0.346CS..THydrogen-bonded Turntrans-84.1-17.1174.2-61.2176.2000112.5V13 C16 V29 Y31 K54 C78V13-L80 HydrophobicContact CG1-CD2 4.25Å; V13-L80 HydrophobicContact CG2-CD2 4.37Å; C16-L80 PolarHBondContact SG-O 2.81Å; V29-L80 HydrophobicContact CG1-CB 4.27Å; Y31-L80 HydrophobicContact CD1-CD1 3.84Å; Y31-L80 HydrophobicContact CD2-CD2 4.3Å; Y31-L80 HydrophobicContact CE1-CD1 3.57Å; Y31-L80 HydrophobicContact CE2-CD1 4.31Å; Y31-L80 HydrophobicContact CE2-CD2 4.31Å; Y31-L80 HydrophobicContact CG-CD1 4.34Å; K54-L80 HydrophobicContact CB-CD1 4.16Å; K54-L80 HydrophobicContact CD-CD1 3.61Å; C78-L80 PolarHBondContact O-N 2.9Å
81I83.7Confident86.3Confident5 Ų572.8 Ų72.83%0.02637%0.373CS..SBendtrans-99.9117.1-179.6-54.1-179.2000108.2L18 V29 I56 V74 V75 C78 K85 V89L18-I81 HydrophobicContact CD1-CG2 4.12Å; L18-I81 HydrophobicContact CD2-CD1 3.8Å; L18-I81 HydrophobicContact CD2-CG1 4.02Å; V29-I81 HydrophobicContact CG1-CG1 4.45Å; V29-I81 HydrophobicContact CG2-CD1 4.05Å; V29-I81 HydrophobicContact CG2-CG1 4.23Å; I56-I81 HydrophobicContact CD1-CD1 3.78Å; V74-I81 HydrophobicContact CG1-CD1 4.13Å; V75-I81 HydrophobicContact CG2-CG2 4.03Å; C78-I81 HydrophobicContact CB-CD1 4.12Å; C78-I81 HydrophobicContact CB-CG1 4.2Å; C78-I81 PolarHBondContact O-N 3.11Å; I81-K85 HydrophobicContact CG2-CB 4.12Å; I81-V89 HydrophobicContact CD1-CG2 4.41Å; I81-V89 HydrophobicContact CG2-CG2 4.03Å
82H82.9Confident86.3Confident121 Ų12174.2 Ų74.256%0.5638%0.38SS*.  trans-70.9141.4178.4-171.2-95.2000110.8S84 K85H82-S84 WeakPolarHBondContact ND1-CB 3.48Å; H82-S84 PolarHBondContact ND1-N 3.01Å; H82-S84 PolarHBondContact ND1-OG 3.46Å; H82-S84 PolarHBondContact O-N 3.35Å; H82-K85 WeakPolarHBondContact O-CB 3.48Å; H82-K85 PolarHBondContact O-N 3.22Å
83P84.4Confident86.4Confident91 Ų9169.3 Ų69.359%0.59136%0.357SS*.G310 helixtrans-54.4-23.8-179.1-29.435.8000115.6V75 K85 L86V75-P83 HydrophobicContact CG1-CB 4.5Å; P83-K85 PolarHBondContact O-N 3.22Å; P83-L86 PolarHBondContact O-N 3.15Å
84S85.2Confident86.4Confident95 Ų9569.5 Ų69.566%0.66436%0.358SS*.G310 helixtrans-67.6-15.8175.365.60000114.3H82H82-S84 WeakPolarHBondContact ND1-CB 3.48Å; H82-S84 PolarHBondContact ND1-N 3.01Å; H82-S84 PolarHBondContact ND1-OG 3.46Å; H82-S84 PolarHBondContact O-N 3.35Å
85K84.8Confident86.3Confident48 Ų4875.1 Ų75.121%0.20938%0.38CS..G310 helixtrans-9310.4179.6-69.4-178.1156-106.30113.3C16 L18 I81 H82 P83 A87 E88 V89C16-K85 VanDerWaalsContact O-CE 3.24Å; C16-K85 WeakPolarHBondContact O-CE 3.44Å; C16-K85 PolarHBondContact O-NZ 3.2Å; L18-K85 HydrophobicContact CD1-CB 4.12Å; L18-K85 HydrophobicContact CD1-CD 4.01Å; I81-K85 HydrophobicContact CG2-CB 4.12Å; H82-K85 WeakPolarHBondContact O-CB 3.48Å; H82-K85 PolarHBondContact O-N 3.22Å; P83-K85 PolarHBondContact O-N 3.22Å; K85-A87 VanDerWaalsContact C-N 3.31Å; K85-A87 PolarHBondContact O-N 3.44Å; K85-E88 HydrophobicContact CB-CB 4.49Å; K85-E88 WeakPolarHBondContact CD-OE2 3.29Å; K85-E88 WeakPolarHBondContact CG-OE2 3.48Å; K85-E88 IonicContact NZ-OE1 3.08Å; K85-E88 PolarHBondContact NZ-OE1 3.44Å; K85-E88 IonicContact NZ-OE2 3.59Å; K85-E88 PolarHBondContact NZ-OE2 3.34Å; K85-E88 WeakPolarHBondContact O-CB 3.49Å; K85-E88 PolarHBondContact O-N 3.12Å; K85-E88 VanDerWaalsContact O-N 3.09Å; K85-V89 WeakPolarHBondContact O-CG2 2.91Å; K85-V89 PolarHBondContact O-N 3.44Å
86L88.9Confident86Confident54 Ų5474.5 Ų74.528%0.28338%0.375SS..Hα-helixtrans-54.2-44.6-178.9-177.467.6000112.9A71 Q72 V75 P83 E88 V89 E90A71-L86 HydrophobicContact CB-CD1 4.02Å; Q72-L86 HydrophobicContact CB-CD1 4.46Å; Q72-L86 HydrophobicContact CG-CD1 3.96Å; Q72-L86 HydrophobicContact CG-CD2 4.2Å; V75-L86 HydrophobicContact CB-CD1 4.26Å; V75-L86 HydrophobicContact CG2-CD1 3.82Å; P83-L86 PolarHBondContact O-N 3.15Å; L86-E88 VanDerWaalsContact C-N 3.33Å; L86-E88 PolarHBondContact O-N 3.26Å; L86-V89 PolarHBondContact O-N 3.34Å; L86-E90 PolarHBondContact O-N 3.1Å
87A86.9Confident85.8Confident72 Ų7269.3 Ų69.360%0.59535%0.351SS*.Hα-helixtrans-66-35179.200000112.9K85 Q91K85-A87 VanDerWaalsContact C-N 3.31Å; K85-A87 PolarHBondContact O-N 3.44Å; A87-Q91 PolarHBondContact O-N 3.24Å; A87-Q91 VanDerWaalsContact O-N 3.11Å
88E88Confident85.6Confident70 Ų7067.3 Ų67.333%0.32735%0.345SS..Hα-helixtrans-66.4-45176-172.2-177.4-177.500110.2L18 K85 L86 E90 Q91 L92L18-E88 HydrophobicContact CD1-CG 4.42Å; K85-E88 HydrophobicContact CB-CB 4.49Å; K85-E88 WeakPolarHBondContact CD-OE2 3.29Å; K85-E88 WeakPolarHBondContact CG-OE2 3.48Å; K85-E88 IonicContact NZ-OE1 3.08Å; K85-E88 PolarHBondContact NZ-OE1 3.44Å; K85-E88 IonicContact NZ-OE2 3.59Å; K85-E88 PolarHBondContact NZ-OE2 3.34Å; K85-E88 WeakPolarHBondContact O-CB 3.49Å; K85-E88 PolarHBondContact O-N 3.12Å; K85-E88 VanDerWaalsContact O-N 3.09Å; L86-E88 VanDerWaalsContact C-N 3.33Å; L86-E88 PolarHBondContact O-N 3.26Å; E88-E90 PolarHBondContact O-N 3.3Å; E88-Q91 PolarHBondContact O-N 3.27Å; E88-L92 HydrophobicContact CG-CD1 4.49Å; E88-L92 VanDerWaalsContact O-CG 3.31Å; E88-L92 WeakPolarHBondContact O-CG 3.42Å; E88-L92 PolarHBondContact O-N 3.39Å; E88-L92 VanDerWaalsContact O-N 3.07Å
89V89.1Confident85.4Confident0 Ų070.1 Ų70.10%036%0.355CS..Hα-helixtrans-60.7-46.1175.7175.70000111.2L18 L27 A71 V74 V75 I81 K85 L86 Q91 L92 L93L18-V89 HydrophobicContact CD1-CG2 3.71Å; L27-V89 HydrophobicContact CD1-CG1 3.93Å; A71-V89 HydrophobicContact CB-CB 4.43Å; A71-V89 HydrophobicContact CB-CG1 3.99Å; V74-V89 HydrophobicContact CB-CG1 4.3Å; V74-V89 HydrophobicContact CG1-CG1 4.08Å; V75-V89 HydrophobicContact CG2-CB 4.44Å; V75-V89 HydrophobicContact CG2-CG2 4.05Å; I81-V89 HydrophobicContact CD1-CG2 4.41Å; I81-V89 HydrophobicContact CG2-CG2 4.03Å; K85-V89 WeakPolarHBondContact O-CG2 2.91Å; K85-V89 PolarHBondContact O-N 3.44Å; L86-V89 PolarHBondContact O-N 3.34Å; V89-Q91 VanDerWaalsContact C-N 3.32Å; V89-Q91 PolarHBondContact O-N 3.15Å; V89-L92 PolarHBondContact O-N 3.18Å; V89-L93 HydrophobicContact CG1-CD1 4.06Å; V89-L93 HydrophobicContact CG1-CG 4.34Å; V89-L93 VanDerWaalsContact O-CG 3.27Å; V89-L93 WeakPolarHBondContact O-CG 3.26Å; V89-L93 PolarHBondContact O-N 3.03Å
90E91.9Very high84.3Confident75 Ų7570.9 Ų70.935%0.3536%0.355SS..Hα-helixtrans-59.7-42.4178.7-171.5178.8170.800112.1A68 A71 L86 E88 L93 F94A68-E90 WeakPolarHBondContact CB-OE1 3.46Å; A71-E90 HydrophobicContact CB-CB 3.82Å; A71-E90 HydrophobicContact CB-CG 4.38Å; L86-E90 PolarHBondContact O-N 3.1Å; E88-E90 PolarHBondContact O-N 3.3Å; E90-L93 PolarHBondContact O-N 3.29Å; E90-F94 WeakPolarHBondContact O-CB 3.5Å; E90-F94 PolarHBondContact O-N 3.31Å
91Q88.2Confident82.6Confident144 Ų14477.1 Ų77.167%0.67338%0.384SS*.Hα-helixtrans-64.5-41.7177.4-172.9176.9-2.700112.5A87 E88 V89 F94 Y95A87-Q91 PolarHBondContact O-N 3.24Å; A87-Q91 VanDerWaalsContact O-N 3.11Å; E88-Q91 PolarHBondContact O-N 3.27Å; V89-Q91 VanDerWaalsContact C-N 3.32Å; V89-Q91 PolarHBondContact O-N 3.15Å; Q91-F94 PolarHBondContact O-N 3.14Å; Q91-Y95 PolarHBondContact O-N 2.97Å
92L90.1Very high80.3Confident31 Ų3180.8 Ų80.816%0.16241%0.41CS..Hα-helixtrans-67.3-36.7177-65171.8000111.8L18 V20 L27 E88 V89 Y95 L96L18-L92 HydrophobicContact CB-CD1 3.74Å; V20-L92 HydrophobicContact CG1-CB 3.79Å; V20-L92 HydrophobicContact CG1-CD2 3.84Å; V20-L92 HydrophobicContact CG1-CG 4.31Å; L27-L92 HydrophobicContact CD2-CB 3.61Å; L27-L92 HydrophobicContact CD2-CD1 4.11Å; L27-L92 HydrophobicContact CD2-CG 4.5Å; E88-L92 HydrophobicContact CG-CD1 4.49Å; E88-L92 VanDerWaalsContact O-CG 3.31Å; E88-L92 WeakPolarHBondContact O-CG 3.42Å; E88-L92 PolarHBondContact O-N 3.39Å; E88-L92 VanDerWaalsContact O-N 3.07Å; V89-L92 PolarHBondContact O-N 3.18Å; L92-Y95 PolarHBondContact O-N 2.79Å; L92-L96 WeakPolarHBondContact O-CG 3.38Å; L92-L96 PolarHBondContact O-N 3.22Å
93L89.1Confident78Confident0 Ų081 Ų810%042%0.424CS..Hα-helixtrans-64.4-42.7172.9-70.2177.6000111.9L27 L58 T67 L70 A71 V89 E90 Y95 L96 Q97L27-L93 HydrophobicContact CD1-CD2 4.22Å; L58-L93 HydrophobicContact CD1-CD2 3.13Å; L58-L93 HydrophobicContact CD2-CD2 3.87Å; L58-L93 HydrophobicContact CG-CD2 4.09Å; T67-L93 HydrophobicContact CG2-CB 4.18Å; L70-L93 HydrophobicContact CB-CD1 4.13Å; L70-L93 HydrophobicContact CD2-CD1 4.17Å; L70-L93 HydrophobicContact CD2-CD2 4.18Å; L70-L93 HydrophobicContact CG-CD1 3.97Å; A71-L93 HydrophobicContact CB-CD1 3.89Å; V89-L93 HydrophobicContact CG1-CD1 4.06Å; V89-L93 HydrophobicContact CG1-CG 4.34Å; V89-L93 VanDerWaalsContact O-CG 3.27Å; V89-L93 WeakPolarHBondContact O-CG 3.26Å; V89-L93 PolarHBondContact O-N 3.03Å; E90-L93 PolarHBondContact O-N 3.29Å; L93-Y95 VanDerWaalsContact C-N 3.34Å; L93-L96 PolarHBondContact O-N 3.36Å; L93-Q97 WeakPolarHBondContact O-CB 3.49Å; L93-Q97 PolarHBondContact O-N 3.18Å
94F87.3Confident75.4Confident117 Ų11783.5 Ų83.551%0.51343%0.433SS..Hα-helixtrans-63.8-39175.6-174.1-96.1000112.1T67 E90 Q91 Q97 N98T67-F94 HydrophobicContact CG2-CB 4.49Å; E90-F94 WeakPolarHBondContact O-CB 3.5Å; E90-F94 PolarHBondContact O-N 3.31Å; Q91-F94 PolarHBondContact O-N 3.14Å; F94-Q97 PolarHBondContact O-N 3.35Å; F94-N98 WeakPolarHBondContact CE1-ND2 3.43Å; F94-N98 WeakPolarHBondContact CE2-ND2 3.43Å; F94-N98 WeakPolarHBondContact CZ-ND2 3.34Å; F94-N98 PolarHBondContact O-N 3.31Å; F94-N98 PolarHBondContact O-ND2 2.84Å; F94-N98 VanDerWaalsContact O-ND2 3.12Å
95Y84.7Confident72.8Confident129 Ų12984.4 Ų84.451%0.50643%0.431SS..Hα-helixtrans-62.2-48172.6176.1-94.9000111.8V20 Q91 L92 L93 Q97 N98 R99V20-Y95 HydrophobicContact CB-CD1 4.41Å; V20-Y95 HydrophobicContact CG1-CD1 4.12Å; V20-Y95 HydrophobicContact CG2-CD1 3.89Å; V20-Y95 HydrophobicContact CG2-CE1 3.74Å; Q91-Y95 PolarHBondContact O-N 2.97Å; L92-Y95 PolarHBondContact O-N 2.79Å; L93-Y95 VanDerWaalsContact C-N 3.34Å; Y95-Q97 VanDerWaalsContact C-N 3.27Å; Y95-Q97 PolarHBondContact O-N 3.4Å; Y95-N98 PolarHBondContact O-N 3.21Å; Y95-R99 HydrophobicContact CE1-CG 4.46Å; Y95-R99 PolarHBondContact O-N 2.97Å
96L82.8Confident70.4Confident5 Ų590 Ų903%0.02646%0.458CS..Hα-helixtrans-63-31.6177.3-78.1173.6000113.2V20 L27 L58 L61 L92 L93V20-L96 HydrophobicContact CB-CD1 4.38Å; V20-L96 HydrophobicContact CB-CD2 3.98Å; V20-L96 HydrophobicContact CB-CG 4.1Å; V20-L96 HydrophobicContact CG1-CD1 3.87Å; V20-L96 HydrophobicContact CG1-CD2 4.11Å; V20-L96 HydrophobicContact CG1-CG 3.65Å; L27-L96 HydrophobicContact CD2-CD1 4.1Å; L58-L96 HydrophobicContact CD1-CD1 3.88Å; L61-L96 HydrophobicContact CD2-CB 3.65Å; L92-L96 WeakPolarHBondContact O-CG 3.38Å; L92-L96 PolarHBondContact O-N 3.22Å; L93-L96 PolarHBondContact O-N 3.36Å
97Q84Confident67.9Low36 Ų3693.1 Ų93.117%0.16847%0.47CS..Hα-helixtrans-69.1-36.7176.6-171.517740.800112.1L61 N62 A63 T65 L93 F94 Y95L61-Q97 HydrophobicContact CD1-CB 4.42Å; N62-Q97 PolarHBondContact O-NE2 2.92Å; A63-Q97 PolarHBondContact O-NE2 3.4Å; T65-Q97 PolarHBondContact O-NE2 2.95Å; L93-Q97 WeakPolarHBondContact O-CB 3.49Å; L93-Q97 PolarHBondContact O-N 3.18Å; F94-Q97 PolarHBondContact O-N 3.35Å; Y95-Q97 VanDerWaalsContact C-N 3.27Å; Y95-Q97 PolarHBondContact O-N 3.4Å
98N79.1Confident65.5Low94 Ų9495.9 Ų95.950%0.50347%0.469SS..Hα-helixtrans-101.10.8-174.3-67.2-46.2000114.5F94 Y95 K100F94-N98 WeakPolarHBondContact CE1-ND2 3.43Å; F94-N98 WeakPolarHBondContact CE2-ND2 3.43Å; F94-N98 WeakPolarHBondContact CZ-ND2 3.34Å; F94-N98 PolarHBondContact O-N 3.31Å; F94-N98 PolarHBondContact O-ND2 2.84Å; F94-N98 VanDerWaalsContact O-ND2 3.12Å; Y95-N98 PolarHBondContact O-N 3.21Å; N98-K100 PolarHBondContact O-N 3.17Å; N98-K100 VanDerWaalsContact O-N 3.14Å
99R79.5Confident62.9Low64 Ų64100.3 Ų100.324%0.24249%0.487CS..  trans-65.1113.2178.5-160.5176.896.8-158.5-1.1110.3H21 P22 T23 Y95 Q101H21-R99 PolarHBondContact O-NH1 3.28Å; P22-R99 PolarHBondContact O-NH1 2.94Å; P22-R99 PolarHBondContact O-NH2 3.35Å; T23-R99 VanDerWaalsContact CA-NH2 3.34Å; T23-R99 PolarHBondContact O-NH2 3.35Å; Y95-R99 HydrophobicContact CE1-CG 4.46Å; Y95-R99 PolarHBondContact O-N 2.97Å; R99-Q101 PolarHBondContact O-N 3.33Å
100K56.5Low60.5Low197 Ų197106.4 Ų106.486%0.85752%0.52SS*.  trans-62.4126.2168.1-71-177.1178.2-1800108.1N98 S102N98-K100 PolarHBondContact O-N 3.17Å; N98-K100 VanDerWaalsContact O-N 3.14Å; K100-S102 PolarHBondContact O-N 3.42Å
101Q47.4Very low58.3Low172 Ų172105.1 Ų105.180%0.80452%0.515SS*.  trans-60.4111.7178.6-73.8179.1-7.400109.1R99R99-Q101 PolarHBondContact O-N 3.33Å
102S35.2Very low56.3Low82 Ų82100 Ų10057%0.57350%0.495SS*.  trans-66.3133.2162410000108.3K100 D104K100-S102 PolarHBondContact O-N 3.42Å; S102-D104 PolarHBondContact O-N 3.16Å
103S34Very low54.4Low124 Ų12499.7 Ų99.787%0.86750%0.495SS*.SBendtrans-70.271-177.648.70000111.8
104D31.6Very low52.4Low145 Ų145107 Ų10778%0.77552%0.523SS*.  trans-136.49.5173.2-109.8-15.1000113.5S102 Q106S102-D104 PolarHBondContact O-N 3.16Å; D104-Q106 VanDerWaalsContact C-N 3.33Å; D104-Q106 PolarHBondContact O-N 3.46Å
105N29.2Very low50.4Low114 Ų114106.4 Ų106.461%0.6152%0.524SS*.  trans-90.562.2170.8-81.7-9.2000111.3
106Q34.9Very low48.9Very low166 Ų166101.1 Ų101.178%0.77650%0.504SS*.  trans-108.148.5162.5-74.5-1635.700111.9D104 R364D104-Q106 VanDerWaalsContact C-N 3.33Å; D104-Q106 PolarHBondContact O-N 3.46Å; Q106-R364 PolarHBondContact O-NH2 2.92Å
107E36.6Very low47.1Very low118 Ų118105.9 Ų105.955%0.55153%0.534SS*.SBendtrans-133.3128.3148.3-71.9-158.6140.500109R364E107-R364 IonicContact OE1-CZ 2.91Å; E107-R364 IonicContact OE1-NE 3.46Å; E107-R364 IonicContact OE1-NH1 3.97Å; E107-R364 PolarHBondContact OE1-NH1 3.45Å; E107-R364 IonicContact OE1-NH2 3.26Å; E107-R364 PolarHBondContact OE1-NH2 3.49Å
108K35.7Very low45.4Very low130 Ų130106.6 Ų106.657%0.56554%0.542SS*.  trans73.965.7-173.2-58.4178.6174.3177.60116.2N110 Q789K108-N110 PolarHBondContact O-N 3.34Å; K108-Q789 WeakPolarHBondContact CE-O 3.36Å; K108-Q789 PolarHBondContact NZ-O 3.23Å; K108-Q789 PolarHBondContact NZ-OXT 3.36Å
109K34.6Very low44.1Very low164 Ų164105.1 Ų105.171%0.71353%0.529SS*.  trans-66.584.7131.7-97.8-173.7-177.2172.70106.7I111 E357K109-I111 PolarHBondContact O-N 3.37Å; K109-I111 VanDerWaalsContact O-N 3.12Å; K109-E357 IonicContact NZ-OE1 3.39Å; K109-E357 PolarHBondContact NZ-OE1 3.07Å
110N38.8Very low42.3Very low127 Ų127106.8 Ų106.868%0.67956%0.556SS**  trans-65.4108.9157.5-76-11.4000104.8K108 S112K108-N110 PolarHBondContact O-N 3.34Å; N110-S112 PolarHBondContact O-N 2.82Å
111I45.5Very low41.8Very low49 Ų49100.6 Ų100.625%0.25155%0.549SS..  trans-55.4112.5171.5-73.2159.4000105.9K109 D115 F116 Y282K109-I111 PolarHBondContact O-N 3.37Å; K109-I111 VanDerWaalsContact O-N 3.12Å; I111-D115 HydrophobicContact CG2-CB 4.19Å; I111-F116 HydrophobicContact CG2-CD2 4.14Å; I111-F116 HydrophobicContact CG2-CE2 4.12Å; I111-Y282 HydrophobicContact CD1-CE1 3.94Å; I111-Y282 HydrophobicContact CD1-CE2 4.33Å; I111-Y282 VanDerWaalsContact CD1-CZ 3.46Å; I111-Y282 WeakPolarHBondContact CD1-OH 3.36Å
112S46.1Very low42Very low37 Ų3793.7 Ų93.726%0.25952%0.518SS..  trans-73151.5-176.574.80000107.9N110 R114 D115N110-S112 PolarHBondContact O-N 2.82Å; S112-R114 PolarHBondContact O-N 3.18Å; S112-R114 WeakPolarHBondContact OG-CB 3.38Å; S112-R114 PolarHBondContact OG-N 2.87Å; S112-D115 WeakPolarHBondContact CB-OD2 3.42Å; S112-D115 PolarHBondContact N-OD2 2.8Å; S112-D115 PolarHBondContact O-N 2.88Å; S112-D115 PolarHBondContact OG-N 3.34Å; S112-D115 PolarHBondContact OG-OD2 3.11Å
113P49.9Very low43Very low24 Ų2497.5 Ų97.516%0.15653%0.527CS..THydrogen-bonded Turntrans-54.9-15.6169.7-2533.8000113.5R159 F200 S204P113-R159 PolarHBondContact O-NE 3.34Å; P113-F200 HydrophobicContact CB-CE1 4.36Å; P113-F200 HydrophobicContact CG-CE1 4.32Å; P113-S204 WeakPolarHBondContact CG-OG 3.46Å
114R46.1Very low44.6Very low154 Ų15494.5 Ų94.558%0.58150%0.501SS*.THydrogen-bonded Turntrans-77.7-27.8175.7-59.9-176.9173.9-177-2.3112.7S112 F116 R159S112-R114 PolarHBondContact O-N 3.18Å; S112-R114 WeakPolarHBondContact OG-CB 3.38Å; S112-R114 PolarHBondContact OG-N 2.87Å; R114-F116 VanDerWaalsContact C-N 3.33Å; R114-R159 PolarHBondContact O-NH2 3.03Å
115D46.1Very low46.2Very low103 Ų10396 Ų9655%0.55151%0.509SS*.THydrogen-bonded Turntrans-80.7-14.2-177.9-57.1-45.4000112.9I111 S112 T117I111-D115 HydrophobicContact CG2-CB 4.19Å; S112-D115 WeakPolarHBondContact CB-OD2 3.42Å; S112-D115 PolarHBondContact N-OD2 2.8Å; S112-D115 PolarHBondContact O-N 2.88Å; S112-D115 PolarHBondContact OG-N 3.34Å; S112-D115 PolarHBondContact OG-OD2 3.11Å; D115-T117 PolarHBondContact O-N 3.37Å
116F52.7Low48.5Very low18 Ų1894.6 Ų94.68%0.07950%0.499CS..  trans-67.998.2167.5-98.2-94.4000109.5I111 R114 F200 Q275 K278 V279 Y282I111-F116 HydrophobicContact CG2-CD2 4.14Å; I111-F116 HydrophobicContact CG2-CE2 4.12Å; R114-F116 VanDerWaalsContact C-N 3.33Å; F116-F200 HydrophobicContact CD2-CD1 4.46Å; F116-F200 AromaticContact CD2-CE1 3.78Å; F116-F200 HydrophobicContact CD2-CE1 3.78Å; F116-F200 HydrophobicContact CD2-CZ 4.47Å; F116-F200 AromaticContact CE2-CE1 3.87Å; F116-F200 HydrophobicContact CE2-CE1 3.87Å; F116-F200 HydrophobicContact CE2-CZ 4.23Å; F116-Q275 VanDerWaalsContact CE1-NE2 3.28Å; F116-K278 HydrophobicContact CZ-CB 4.44Å; F116-V279 HydrophobicContact CE1-CB 3.9Å; F116-V279 HydrophobicContact CE1-CG2 4.28Å; F116-V279 HydrophobicContact CZ-CB 4.11Å; F116-V279 HydrophobicContact CZ-CG2 4.39Å; F116-Y282 AromaticContact CE2-CD2 3.75Å; F116-Y282 HydrophobicContact CE2-CD2 3.75Å; F116-Y282 AromaticContact CE2-CE2 3.96Å; F116-Y282 HydrophobicContact CE2-CE2 3.96Å; F116-Y282 AromaticContact CZ-CD2 3.67Å; F116-Y282 HydrophobicContact CZ-CD2 3.67Å; F116-Y282 AromaticContact CZ-CE2 3.93Å; F116-Y282 HydrophobicContact CZ-CE2 3.93Å
117T46.5Very low50.8Low105 Ų10595.2 Ų95.264%0.64450%0.502SS*.PPolyproline II helixtrans-62.4132.9167.252.10000108.9D115 Y119D115-T117 PolarHBondContact O-N 3.37Å; T117-Y119 PolarHBondContact O-N 3.03Å
118P46.4Very low53.2Low52 Ų5290.6 Ų90.634%0.33848%0.484SS..PPolyproline II helixtrans-50.7134.4168.4-20.830.6000109.2
119Y52.5Low55.7Low63 Ų6387.4 Ų87.425%0.24748%0.477CS..PPolyproline II helixtrans-60.2148.1170.8-174.7-91.4000108.6T117 G121 V122 A271 K272 Q275T117-Y119 PolarHBondContact O-N 3.03Å; Y119-G121 PolarHBondContact O-N 3.01Å; Y119-V122 PolarHBondContact O-N 3.36Å; Y119-A271 HydrophobicContact CE2-CB 4.2Å; Y119-K272 HydrophobicContact CD1-CG 4.29Å; Y119-K272 HydrophobicContact CE1-CD 4.18Å; Y119-K272 HydrophobicContact CE1-CG 3.53Å; Y119-K272 HydrophobicContact CE2-CG 4.08Å; Y119-K272 WeakPolarHBondContact OH-CG 3.47Å; Y119-Q275 HydrophobicContact CD2-CB 4.28Å; Y119-Q275 HydrophobicContact CD2-CG 4.43Å
120A42.2Very low58.2Low98 Ų9881.5 Ų81.581%0.8145%0.453SS*.THydrogen-bonded Turntrans-64.239.7-16700000116.9
121G45.1Very low60.5Low67 Ų6778.6 Ų78.669%0.69145%0.453SS*.THydrogen-bonded Turntrans-158.311.3176.800000114.7Y119Y119-G121 PolarHBondContact O-N 3.01Å
122V53.2Low62.6Low28 Ų2877.8 Ų77.817%0.1745%0.452CS..  trans-128.623.7179.1-156.90000111.5Y119 L124 I148 A152Y119-V122 PolarHBondContact O-N 3.36Å; V122-L124 PolarHBondContact O-N 3.45Å; V122-I148 HydrophobicContact CG1-CG2 4.25Å; V122-A152 HydrophobicContact CG1-CB 3.42Å; V122-A152 VanDerWaalsContact CG1-CB 3.42Å
123E55.6Low64.7Low161 Ų16176.2 Ų76.275%0.75244%0.441SS*.  trans-73.1107.9166.9-71.2-176.9169.300107.7
124L66.9Low66.7Low62 Ų6280.4 Ų80.433%0.32546%0.462SS..  trans-92133.5171.7-64.6174.1000107.9V122 E126 R149 A152 L153V122-L124 PolarHBondContact O-N 3.45Å; L124-E126 PolarHBondContact O-N 3.42Å; L124-R149 HydrophobicContact CD1-CG 4.28Å; L124-R149 HydrophobicContact CD2-CG 4.15Å; L124-A152 HydrophobicContact CD1-CB 3.7Å; L124-L153 HydrophobicContact CD1-CD2 3.88Å; L124-L153 HydrophobicContact CD1-CG 3.84Å
125D65.6Low68.9Low176 Ų17678.9 Ų78.994%0.94146%0.461SS*.SBendtrans-70-9.3170.4-71.6-31.6000112.1
126E78.4Confident71.2Confident85 Ų8574.8 Ų74.840%0.39744%0.438SS..SBendtrans-90.8132.1-175.4-62177166.400111.2L124 R149 L153 Q156L124-E126 PolarHBondContact O-N 3.42Å; E126-R149 IonicContact OE1-CZ 3.49Å; E126-R149 IonicContact OE1-NH2 3.29Å; E126-R149 PolarHBondContact OE1-NH2 3.3Å; E126-R149 IonicContact OE2-CZ 2.79Å; E126-R149 IonicContact OE2-NE 2.72Å; E126-R149 PolarHBondContact OE2-NE 2.98Å; E126-R149 IonicContact OE2-NH2 2.69Å; E126-R149 PolarHBondContact OE2-NH2 3.2Å; E126-L153 HydrophobicContact CB-CD2 4.31Å; E126-Q156 PolarHBondContact O-OE1 3.11Å
127E82.1Confident73.1Confident179 Ų17974.5 Ų74.584%0.83644%0.438SS*.PPolyproline II helixtrans-87.8118.1172.1-73.8-171.8161.700110.8S129E127-S129 PolarHBondContact O-N 3.27Å
128A86.6Confident75.3Confident21 Ų2176 Ų7617%0.17444%0.438CS..PPolyproline II helixtrans-68.7128176.900000112Y136 L153 Q156 L157A128-Y136 HydrophobicContact CB-CE2 4.33Å; A128-L153 HydrophobicContact CB-CB 4.2Å; A128-L153 HydrophobicContact CB-CD2 4Å; A128-L153 VanDerWaalsContact CB-O 3.28Å; A128-L153 WeakPolarHBondContact CB-O 3.37Å; A128-Q156 HydrophobicContact CB-CB 4.06Å; A128-Q156 HydrophobicContact CB-CG 4.3Å; A128-L157 HydrophobicContact CB-CD1 4.48Å; A128-L157 HydrophobicContact CB-CD2 3.94Å; A128-L157 HydrophobicContact CB-CG 3.82Å; A128-L157 WeakPolarHBondContact O-CD2 3.31Å
129S89.3Confident77.6Confident62 Ų6275.2 Ų75.243%0.43443%0.431SS..PPolyproline II helixtrans-102.9139169.1177.70000111.4E127 G131 S132 Y136E127-S129 PolarHBondContact O-N 3.27Å; S129-G131 PolarHBondContact O-N 2.85Å; S129-G131 PolarHBondContact OG-N 3.11Å; S129-S132 PolarHBondContact O-N 3.19Å; S129-Y136 PolarHBondContact N-OH 3.29Å; S129-Y136 VanDerWaalsContact O-CE2 3.31Å; S129-Y136 WeakPolarHBondContact O-CE2 3.44Å; S129-Y136 PolarHBondContact O-OH 3.42Å
130I86.4Confident79.6Confident40 Ų4072.2 Ų72.221%0.20542%0.419CS..G310 helixtrans-63.6-24.9176.7-157.871.4000112.1S132 I133 L157 N163 E166 L167I130-S132 VanDerWaalsContact C-N 3.25Å; I130-S132 PolarHBondContact O-N 3.42Å; I130-I133 HydrophobicContact CD1-CD1 3.73Å; I130-I133 HydrophobicContact CD1-CG1 4.38Å; I130-I133 HydrophobicContact CG1-CD1 3.93Å; I130-I133 VanDerWaalsContact O-CD1 3.24Å; I130-I133 WeakPolarHBondContact O-CD1 3.33Å; I130-I133 WeakPolarHBondContact O-CG1 3.19Å; I130-L157 HydrophobicContact CB-CD2 4.33Å; I130-L157 HydrophobicContact CD1-CB 4.45Å; I130-L157 HydrophobicContact CD1-CD1 4.01Å; I130-L157 HydrophobicContact CD1-CD2 4.26Å; I130-L157 HydrophobicContact CD1-CG 4.48Å; I130-N163 HydrophobicContact CD1-CB 4.12Å; I130-E166 HydrophobicContact CG1-CG 4.08Å; I130-E166 WeakPolarHBondContact CG1-OE1 3.2Å; I130-E166 WeakPolarHBondContact CG1-OE2 3.26Å; I130-L167 HydrophobicContact CD1-CD2 4.09Å; I130-L167 HydrophobicContact CD1-CG 4.1Å
131G86.8Confident82Confident66 Ų6674 Ų7468%0.6841%0.406SS*.G310 helixtrans-72.2-13.5178.200000115S129S129-G131 PolarHBondContact O-N 2.85Å; S129-G131 PolarHBondContact OG-N 3.11Å
132S90.8Very high84.3Confident32 Ų3276.6 Ų76.622%0.22440%0.4CS..G310 helixtrans-108.922-176.7-63.70000112.6S129 I130 D134 E135 Y136S129-S132 PolarHBondContact O-N 3.19Å; I130-S132 VanDerWaalsContact C-N 3.25Å; I130-S132 PolarHBondContact O-N 3.42Å; S132-D134 VanDerWaalsContact C-N 3.27Å; S132-D134 PolarHBondContact O-N 2.67Å; S132-E135 WeakPolarHBondContact O-CB 3.36Å; S132-E135 PolarHBondContact O-N 3.43Å; S132-Y136 WeakPolarHBondContact CB-OH 3.36Å; S132-Y136 WeakPolarHBondContact O-CD1 3.34Å; S132-Y136 WeakPolarHBondContact O-CD2 3.38Å; S132-Y136 PolarHBondContact O-N 2.98Å
133I90.3Very high86.1Confident4 Ų479.8 Ų79.82%0.02142%0.416CS..Hα-helixtrans-53.8-43.4-179.4-78.3166.2000112.3I130 E135 Y136 V137 L157 L167 V173I130-I133 HydrophobicContact CD1-CD1 3.73Å; I130-I133 HydrophobicContact CD1-CG1 4.38Å; I130-I133 HydrophobicContact CG1-CD1 3.93Å; I130-I133 VanDerWaalsContact O-CD1 3.24Å; I130-I133 WeakPolarHBondContact O-CD1 3.33Å; I130-I133 WeakPolarHBondContact O-CG1 3.19Å; I133-E135 VanDerWaalsContact C-N 3.3Å; I133-E135 PolarHBondContact O-N 2.85Å; I133-Y136 PolarHBondContact O-N 2.95Å; I133-Y136 VanDerWaalsContact O-N 3.12Å; I133-V137 HydrophobicContact CG2-CG2 4.4Å; I133-V137 WeakPolarHBondContact O-CG2 3.09Å; I133-V137 PolarHBondContact O-N 3.02Å; I133-L157 HydrophobicContact CG1-CD1 4.19Å; I133-L167 HydrophobicContact CD1-CD2 3.89Å; I133-L167 HydrophobicContact CG1-CD2 4.3Å; I133-V173 HydrophobicContact CG2-CB 4.49Å; I133-V173 HydrophobicContact CG2-CG2 3.13Å
134D91.1Very high87.8Confident113 Ų11374.8 Ų74.860%0.60439%0.393SS*.Hα-helixtrans-62.1-39.3-177.3-68.5-35.2000111.6S132 Y136 V137 E138S132-D134 VanDerWaalsContact C-N 3.27Å; S132-D134 PolarHBondContact O-N 2.67Å; D134-Y136 VanDerWaalsContact C-N 3.32Å; D134-Y136 PolarHBondContact O-N 3.36Å; D134-V137 WeakPolarHBondContact O-CB 3.27Å; D134-V137 PolarHBondContact O-N 2.76Å; D134-E138 PolarHBondContact O-N 2.64Å; D134-E138 VanDerWaalsContact O-N 3.08Å
135E92.6Very high89Confident121 Ų12178 Ų7857%0.56541%0.407SS*.Hα-helixtrans-63-39.9175.4-60.3176.1-176.200110.9S132 I133 V137 E138 L139S132-E135 WeakPolarHBondContact O-CB 3.36Å; S132-E135 PolarHBondContact O-N 3.43Å; I133-E135 VanDerWaalsContact C-N 3.3Å; I133-E135 PolarHBondContact O-N 2.85Å; E135-V137 VanDerWaalsContact C-N 3.31Å; E135-V137 PolarHBondContact O-N 3.4Å; E135-E138 PolarHBondContact O-N 3.19Å; E135-L139 PolarHBondContact O-N 3.18Å
136Y93.5Very high90.3Very high18 Ų1872.7 Ų72.77%0.07138%0.376CS..Hα-helixtrans-68.5-31.4177-48.2-29.7000112.4A128 S129 S132 I133 D134 L153 I154 L157A128-Y136 HydrophobicContact CB-CE2 4.33Å; S129-Y136 PolarHBondContact N-OH 3.29Å; S129-Y136 VanDerWaalsContact O-CE2 3.31Å; S129-Y136 WeakPolarHBondContact O-CE2 3.44Å; S129-Y136 PolarHBondContact O-OH 3.42Å; S132-Y136 WeakPolarHBondContact CB-OH 3.36Å; S132-Y136 WeakPolarHBondContact O-CD1 3.34Å; S132-Y136 WeakPolarHBondContact O-CD2 3.38Å; S132-Y136 PolarHBondContact O-N 2.98Å; I133-Y136 PolarHBondContact O-N 2.95Å; I133-Y136 VanDerWaalsContact O-N 3.12Å; D134-Y136 VanDerWaalsContact C-N 3.32Å; D134-Y136 PolarHBondContact O-N 3.36Å; Y136-L153 HydrophobicContact CD1-CB 3.97Å; Y136-L153 HydrophobicContact CD1-CD1 3.56Å; Y136-L153 HydrophobicContact CD1-CG 4.35Å; Y136-L153 HydrophobicContact CD2-CB 4.12Å; Y136-L153 HydrophobicContact CE1-CB 4.13Å; Y136-L153 HydrophobicContact CE1-CD1 3.68Å; Y136-L153 HydrophobicContact CE1-CG 4.34Å; Y136-L153 HydrophobicContact CE2-CB 4.27Å; Y136-L153 HydrophobicContact CG-CB 3.98Å; Y136-L153 HydrophobicContact CG-CD1 4.34Å; Y136-I154 HydrophobicContact CD2-CG1 4.22Å; Y136-I154 HydrophobicContact CG-CG1 4.5Å; Y136-L157 HydrophobicContact CD2-CD1 4.16Å; Y136-L157 HydrophobicContact CE2-CD1 3.77Å
137V92.9Very high91Very high12 Ų1269.8 Ų69.87%0.07336%0.363CS..Hα-helixtrans-69.2-38.2175.4172.40000111.2I133 D134 E135 L139 L140 Y141 V172 V173 A176I133-V137 HydrophobicContact CG2-CG2 4.4Å; I133-V137 WeakPolarHBondContact O-CG2 3.09Å; I133-V137 PolarHBondContact O-N 3.02Å; D134-V137 WeakPolarHBondContact O-CB 3.27Å; D134-V137 PolarHBondContact O-N 2.76Å; E135-V137 VanDerWaalsContact C-N 3.31Å; E135-V137 PolarHBondContact O-N 3.4Å; V137-L139 VanDerWaalsContact C-N 3.28Å; V137-L139 PolarHBondContact O-N 3.09Å; V137-L140 VanDerWaalsContact O-CB 3.29Å; V137-L140 WeakPolarHBondContact O-CB 3.29Å; V137-L140 PolarHBondContact O-N 2.98Å; V137-Y141 HydrophobicContact CG1-CE2 3.97Å; V137-Y141 VanDerWaalsContact O-CD2 3.25Å; V137-Y141 WeakPolarHBondContact O-CD2 3.37Å; V137-V172 HydrophobicContact CG1-CG1 4.41Å; V137-V173 HydrophobicContact CG2-CB 4.06Å; V137-V173 HydrophobicContact CG2-CG1 4.17Å; V137-V173 HydrophobicContact CG2-CG2 3.55Å; V137-A176 HydrophobicContact CG1-CB 4.21Å
138E93.9Very high91.5Very high136 Ų13662 Ų6264%0.63633%0.327SS*.Hα-helixtrans-57.9-42.1175.3-70.5-177169.600111.5D134 E135 L140 Y141D134-E138 PolarHBondContact O-N 2.64Å; D134-E138 VanDerWaalsContact O-N 3.08Å; E135-E138 PolarHBondContact O-N 3.19Å; E138-L140 PolarHBondContact O-N 3.02Å; E138-L140 VanDerWaalsContact O-N 3.09Å; E138-Y141 PolarHBondContact O-N 3.37Å
139L93.6Very high91.7Very high36 Ų3665 Ų6519%0.18833%0.333CS..Hα-helixtrans-58.4-24.8175.7-60.6177.6000113.3E135 V137 Y141 E142 E146 K147 R149 L153E135-L139 PolarHBondContact O-N 3.18Å; V137-L139 VanDerWaalsContact C-N 3.28Å; V137-L139 PolarHBondContact O-N 3.09Å; L139-Y141 PolarHBondContact O-N 3.49Å; L139-E142 PolarHBondContact O-N 2.88Å; L139-E146 HydrophobicContact CD2-CB 4.4Å; L139-E146 CarbonylContact O-C 3.34Å; L139-K147 PolarHBondContact O-N 3.33Å; L139-R149 HydrophobicContact CD1-CG 4.5Å; L139-L153 HydrophobicContact CD1-CD1 4.31Å
140L93.9Very high91.9Very high0 Ų062 Ų620%031%0.313CS..THydrogen-bonded Turntrans-73.7-7177.8-60.5179.3000113.9V137 E138 K147 A151 I154 A176 L177 R179 V180V137-L140 VanDerWaalsContact O-CB 3.29Å; V137-L140 WeakPolarHBondContact O-CB 3.29Å; V137-L140 PolarHBondContact O-N 2.98Å; E138-L140 PolarHBondContact O-N 3.02Å; E138-L140 VanDerWaalsContact O-N 3.09Å; L140-K147 WeakPolarHBondContact O-CE 3.25Å; L140-A151 HydrophobicContact CD2-CB 4.23Å; L140-I154 HydrophobicContact CD1-CD1 4.02Å; L140-A176 HydrophobicContact CD1-CB 3.84Å; L140-L177 HydrophobicContact CD1-CD2 3.77Å; L140-L177 HydrophobicContact CD1-CG 4Å; L140-L177 HydrophobicContact CD2-CD2 4.16Å; L140-R179 PolarHBondContact O-NH2 3.09Å; L140-V180 HydrophobicContact CB-CG2 4.18Å; L140-V180 WeakPolarHBondContact O-CG2 3.46Å
141Y92.9Very high92.3Very high135 Ų13560.1 Ų60.153%0.52930%0.303SS..THydrogen-bonded Turntrans-100.8-9176.2-66.9-90.2000113.6V137 E138 L139V137-Y141 HydrophobicContact CG1-CE2 3.97Å; V137-Y141 VanDerWaalsContact O-CD2 3.25Å; V137-Y141 WeakPolarHBondContact O-CD2 3.37Å; E138-Y141 PolarHBondContact O-N 3.37Å; L139-Y141 PolarHBondContact O-N 3.49Å
142E93.1Very high92.5Very high121 Ų12157.3 Ų57.357%0.56527%0.274SS*.SBendtrans-86.6-157.1-176.7-64.8-61.9162.500112.2L139 E146 K147L139-E142 PolarHBondContact O-N 2.88Å; E142-E146 HydrophobicContact CB-CB 3.7Å; E142-E146 HydrophobicContact CB-CG 4.23Å; E142-K147 WeakPolarHBondContact O-CE 3.42Å
143D92.8Very high92.6Very high95 Ų9556.1 Ų56.151%0.50827%0.265SS..  trans-69.2174.9177.677.226.5000113.2Q145 E146 K147D143-Q145 VanDerWaalsContact C-N 3.26Å; D143-Q145 PolarHBondContact O-N 3.28Å; D143-Q145 WeakPolarHBondContact OD1-CA 3.47Å; D143-Q145 PolarHBondContact OD1-N 3.01Å; D143-E146 PolarHBondContact O-N 2.67Å; D143-E146 PolarHBondContact OD1-N 2.94Å; D143-K147 WeakPolarHBondContact O-CB 3.46Å; D143-K147 VanDerWaalsContact O-CG 3.26Å; D143-K147 WeakPolarHBondContact O-CG 3.5Å; D143-K147 PolarHBondContact O-N 2.95Å
144I91.5Very high92.8Very high56 Ų5656 Ų5629%0.28726%0.264SS..Hα-helixtrans-62.3-33.3-175.8-64.4164.9000112I148 Q187I144-I148 HydrophobicContact CG2-CD1 4.02Å; I144-I148 WeakPolarHBondContact O-CD1 3.46Å; I144-I148 WeakPolarHBondContact O-CG1 3.34Å; I144-I148 PolarHBondContact O-N 3.36Å; I144-I148 VanDerWaalsContact O-N 3.08Å; I144-Q187 HydrophobicContact CD1-CB 4.19Å
145Q90.4Very high92.8Very high131 Ų13151.9 Ų51.961%0.61224%0.241SC*.Hα-helixtrans-73.9-44.6-178.2-65.6-57.8-55.500110.6D143 K147 I148 R149D143-Q145 VanDerWaalsContact C-N 3.26Å; D143-Q145 PolarHBondContact O-N 3.28Å; D143-Q145 WeakPolarHBondContact OD1-CA 3.47Å; D143-Q145 PolarHBondContact OD1-N 3.01Å; Q145-K147 VanDerWaalsContact C-N 3.33Å; Q145-K147 PolarHBondContact O-N 2.9Å; Q145-I148 PolarHBondContact O-N 2.96Å; Q145-R149 PolarHBondContact O-N 3.44Å
146E92.4Very high92.7Very high63 Ų6349.9 Ų49.929%0.29423%0.231SC..Hα-helixtrans-65.6-37.2175.2-65.2-55.9152.200111.5L139 E142 D143 I148 R149 G150L139-E146 HydrophobicContact CD2-CB 4.4Å; L139-E146 CarbonylContact O-C 3.34Å; E142-E146 HydrophobicContact CB-CB 3.7Å; E142-E146 HydrophobicContact CB-CG 4.23Å; D143-E146 PolarHBondContact O-N 2.67Å; D143-E146 PolarHBondContact OD1-N 2.94Å; E146-I148 VanDerWaalsContact C-N 3.33Å; E146-I148 PolarHBondContact O-N 3.27Å; E146-R149 PolarHBondContact O-N 3.18Å; E146-R149 IonicContact OE2-NH1 3.79Å; E146-G150 PolarHBondContact O-N 3.15Å
147K94.4Very high92.6Very high25 Ų2549.3 Ų49.311%0.10923%0.229CC..Hα-helixtrans-58.4-42.8171.3-78.6169.7174.9171.70112.7L139 L140 E142 D143 Q145 A151 V180 D184 L191L139-K147 PolarHBondContact O-N 3.33Å; L140-K147 WeakPolarHBondContact O-CE 3.25Å; E142-K147 WeakPolarHBondContact O-CE 3.42Å; D143-K147 WeakPolarHBondContact O-CB 3.46Å; D143-K147 VanDerWaalsContact O-CG 3.26Å; D143-K147 WeakPolarHBondContact O-CG 3.5Å; D143-K147 PolarHBondContact O-N 2.95Å; Q145-K147 VanDerWaalsContact C-N 3.33Å; Q145-K147 PolarHBondContact O-N 2.9Å; K147-A151 VanDerWaalsContact O-CB 3.27Å; K147-A151 WeakPolarHBondContact O-CB 3.41Å; K147-A151 PolarHBondContact O-N 3.13Å; K147-V180 HydrophobicContact CD-CG1 4.26Å; K147-D184 IonicContact NZ-OD2 2.8Å; K147-D184 PolarHBondContact NZ-OD2 3.09Å; K147-L191 HydrophobicContact CB-CD1 3.93Å; K147-L191 HydrophobicContact CB-CD2 4.12Å; K147-L191 HydrophobicContact CD-CD2 4.39Å
148I91.9Very high92.5Very high16 Ų1648.8 Ų48.88%0.08223%0.226CC..Hα-helixtrans-63.4-45.6176.8-70.2162.8000109.8V122 I144 Q145 E146 A151 A152 D190 L191V122-I148 HydrophobicContact CG1-CG2 4.25Å; I144-I148 HydrophobicContact CG2-CD1 4.02Å; I144-I148 WeakPolarHBondContact O-CD1 3.46Å; I144-I148 WeakPolarHBondContact O-CG1 3.34Å; I144-I148 PolarHBondContact O-N 3.36Å; I144-I148 VanDerWaalsContact O-N 3.08Å; Q145-I148 PolarHBondContact O-N 2.96Å; E146-I148 VanDerWaalsContact C-N 3.33Å; E146-I148 PolarHBondContact O-N 3.27Å; I148-A151 PolarHBondContact O-N 3.01Å; I148-A152 VanDerWaalsContact O-CB 3.26Å; I148-A152 WeakPolarHBondContact O-CB 3.27Å; I148-A152 PolarHBondContact O-N 3.3Å; I148-D190 HydrophobicContact CD1-CB 4.31Å; I148-L191 HydrophobicContact CD1-CB 4.48Å; I148-L191 HydrophobicContact CG1-CB 3.75Å; I148-L191 HydrophobicContact CG1-CD1 4.04Å; I148-L191 HydrophobicContact CG1-CG 4.43Å
149R91.4Very high92.2Very high82 Ų8245.8 Ų45.831%0.30921%0.209SC..Hα-helixtrans-61-50.3178.4-175.9-179.7176.2-159.71.4112L124 E126 L139 Q145 E146 A151 A152 L153L124-R149 HydrophobicContact CD1-CG 4.28Å; L124-R149 HydrophobicContact CD2-CG 4.15Å; E126-R149 IonicContact OE1-CZ 3.49Å; E126-R149 IonicContact OE1-NH2 3.29Å; E126-R149 PolarHBondContact OE1-NH2 3.3Å; E126-R149 IonicContact OE2-CZ 2.79Å; E126-R149 IonicContact OE2-NE 2.72Å; E126-R149 PolarHBondContact OE2-NE 2.98Å; E126-R149 IonicContact OE2-NH2 2.69Å; E126-R149 PolarHBondContact OE2-NH2 3.2Å; L139-R149 HydrophobicContact CD1-CG 4.5Å; Q145-R149 PolarHBondContact O-N 3.44Å; E146-R149 PolarHBondContact O-N 3.18Å; E146-R149 IonicContact OE2-NH1 3.79Å; R149-A151 PolarHBondContact O-N 3.08Å; R149-A152 PolarHBondContact O-N 3.44Å; R149-A152 VanDerWaalsContact O-N 3.14Å; R149-L153 HydrophobicContact CG-CD1 4.29Å; R149-L153 WeakPolarHBondContact O-CG 3.41Å; R149-L153 PolarHBondContact O-N 2.86Å
150G93.2Very high91.9Very high0 Ų046.6 Ų46.60%021%0.214CC..Hα-helixtrans-58.8-45.9176.800000112.4E146 A152 L153 I154E146-G150 PolarHBondContact O-N 3.15Å; G150-A152 VanDerWaalsContact C-N 3.3Å; G150-A152 PolarHBondContact O-N 2.91Å; G150-L153 PolarHBondContact O-N 2.78Å; G150-I154 WeakPolarHBondContact O-CD1 3.47Å; G150-I154 WeakPolarHBondContact O-CG1 3.48Å; G150-I154 PolarHBondContact O-N 3.25Å; G150-I154 VanDerWaalsContact O-N 3.15Å
151A94.2Very high91.5Very high0 Ų049.2 Ų49.20%023%0.231CC..Hα-helixtrans-63.1-35.417600000112.6L140 K147 I148 R149 I154 F155 L177 L191 T194 I195L140-A151 HydrophobicContact CD2-CB 4.23Å; K147-A151 VanDerWaalsContact O-CB 3.27Å; K147-A151 WeakPolarHBondContact O-CB 3.41Å; K147-A151 PolarHBondContact O-N 3.13Å; I148-A151 PolarHBondContact O-N 3.01Å; R149-A151 PolarHBondContact O-N 3.08Å; A151-I154 PolarHBondContact O-N 3.29Å; A151-F155 WeakPolarHBondContact O-CB 3.31Å; A151-F155 PolarHBondContact O-N 3.04Å; A151-L177 HydrophobicContact CB-CD2 4.21Å; A151-L191 HydrophobicContact CB-CD1 4.21Å; A151-T194 VanDerWaalsContact C-CG2 3.42Å; A151-T194 HydrophobicContact CB-CG2 3.76Å; A151-T194 WeakPolarHBondContact O-CG2 2.84Å; A151-I195 HydrophobicContact CB-CG1 3.87Å
152A92Very high91.2Very high8 Ų849 Ų497%0.06624%0.239CC..Hα-helixtrans-71.1-39.9-179.900000112.7V122 L124 I148 R149 G150 I154 F155 Q156 T194V122-A152 HydrophobicContact CG1-CB 3.42Å; V122-A152 VanDerWaalsContact CG1-CB 3.42Å; L124-A152 HydrophobicContact CD1-CB 3.7Å; I148-A152 VanDerWaalsContact O-CB 3.26Å; I148-A152 WeakPolarHBondContact O-CB 3.27Å; I148-A152 PolarHBondContact O-N 3.3Å; R149-A152 PolarHBondContact O-N 3.44Å; R149-A152 VanDerWaalsContact O-N 3.14Å; G150-A152 VanDerWaalsContact C-N 3.3Å; G150-A152 PolarHBondContact O-N 2.91Å; A152-I154 VanDerWaalsContact C-N 3.35Å; A152-F155 WeakPolarHBondContact O-CB 3.38Å; A152-F155 PolarHBondContact O-N 3.19Å; A152-Q156 PolarHBondContact O-N 3.41Å; A152-T194 HydrophobicContact CB-CG2 4.09Å
153L92.4Very high91.2Very high7 Ų744.8 Ų44.84%0.03722%0.22CC..Hα-helixtrans-61.9-43.6172.9-68.6165.9000110.9L124 E126 A128 Y136 L139 R149 G150 F155 Q156 L157L124-L153 HydrophobicContact CD1-CD2 3.88Å; L124-L153 HydrophobicContact CD1-CG 3.84Å; E126-L153 HydrophobicContact CB-CD2 4.31Å; A128-L153 HydrophobicContact CB-CB 4.2Å; A128-L153 HydrophobicContact CB-CD2 4Å; A128-L153 VanDerWaalsContact CB-O 3.28Å; A128-L153 WeakPolarHBondContact CB-O 3.37Å; Y136-L153 HydrophobicContact CD1-CB 3.97Å; Y136-L153 HydrophobicContact CD1-CD1 3.56Å; Y136-L153 HydrophobicContact CD1-CG 4.35Å; Y136-L153 HydrophobicContact CD2-CB 4.12Å; Y136-L153 HydrophobicContact CE1-CB 4.13Å; Y136-L153 HydrophobicContact CE1-CD1 3.68Å; Y136-L153 HydrophobicContact CE1-CG 4.34Å; Y136-L153 HydrophobicContact CE2-CB 4.27Å; Y136-L153 HydrophobicContact CG-CB 3.98Å; Y136-L153 HydrophobicContact CG-CD1 4.34Å; L139-L153 HydrophobicContact CD1-CD1 4.31Å; R149-L153 HydrophobicContact CG-CD1 4.29Å; R149-L153 WeakPolarHBondContact O-CG 3.41Å; R149-L153 PolarHBondContact O-N 2.86Å; G150-L153 PolarHBondContact O-N 2.78Å; L153-F155 VanDerWaalsContact C-N 3.33Å; L153-F155 PolarHBondContact O-N 3.06Å; L153-Q156 WeakPolarHBondContact O-CB 3.36Å; L153-Q156 PolarHBondContact O-N 3.33Å; L153-L157 PolarHBondContact O-N 2.96Å
154I93.9Very high91.1Very high1 Ų140.3 Ų40.31%0.00520%0.196CC..Hα-helixtrans-64.8-38.6174.7-61.6160.7000111.3Y136 L140 G150 A151 A152 L157 A158 V173 L177 V198Y136-I154 HydrophobicContact CD2-CG1 4.22Å; Y136-I154 HydrophobicContact CG-CG1 4.5Å; L140-I154 HydrophobicContact CD1-CD1 4.02Å; G150-I154 WeakPolarHBondContact O-CD1 3.47Å; G150-I154 WeakPolarHBondContact O-CG1 3.48Å; G150-I154 PolarHBondContact O-N 3.25Å; G150-I154 VanDerWaalsContact O-N 3.15Å; A151-I154 PolarHBondContact O-N 3.29Å; A152-I154 VanDerWaalsContact C-N 3.35Å; I154-L157 WeakPolarHBondContact O-CB 2.87Å; I154-L157 PolarHBondContact O-N 3.17Å; I154-A158 PolarHBondContact O-N 3.38Å; I154-V173 HydrophobicContact CD1-CG1 3.79Å; I154-V173 HydrophobicContact CG1-CG1 4.28Å; I154-V173 HydrophobicContact CG2-CG1 4.08Å; I154-L177 HydrophobicContact CD1-CD1 4.38Å; I154-L177 HydrophobicContact CD1-CD2 4.16Å; I154-L177 HydrophobicContact CD1-CG 4.39Å; I154-L177 HydrophobicContact CG2-CD1 3.95Å; I154-V198 HydrophobicContact CG2-CG1 4.21Å; I154-V198 HydrophobicContact CG2-CG2 4.32Å
155F92.3Very high90.9Very high26 Ų2643.2 Ų43.211%0.11421%0.208CC..Hα-helixtrans-62.7-41.9175.4175.3-121.8000112.5A151 A152 L153 L157 A158 R159 T194 V198A151-F155 WeakPolarHBondContact O-CB 3.31Å; A151-F155 PolarHBondContact O-N 3.04Å; A152-F155 WeakPolarHBondContact O-CB 3.38Å; A152-F155 PolarHBondContact O-N 3.19Å; L153-F155 VanDerWaalsContact C-N 3.33Å; L153-F155 PolarHBondContact O-N 3.06Å; F155-L157 VanDerWaalsContact C-N 3.26Å; F155-L157 PolarHBondContact O-N 2.95Å; F155-A158 PolarHBondContact O-N 3.28Å; F155-A158 VanDerWaalsContact O-N 3.11Å; F155-R159 HydrophobicContact CD2-CG 4.28Å; F155-R159 HydrophobicContact CE1-CG 4.24Å; F155-R159 HydrophobicContact CE2-CG 3.78Å; F155-R159 HydrophobicContact CZ-CG 3.77Å; F155-R159 WeakPolarHBondContact O-CG 3.04Å; F155-R159 PolarHBondContact O-N 3.07Å; F155-T194 HydrophobicContact CB-CG2 4.1Å; F155-V198 HydrophobicContact CB-CG2 3.73Å; F155-V198 HydrophobicContact CD2-CG2 4.31Å; F155-V198 HydrophobicContact CG-CG2 4.49Å
156Q91Very high90.9Very high79 Ų7940.7 Ų40.737%0.36920%0.197SC..Hα-helixtrans-57.5-41.6175.3-170.9-179.819.500111.4E126 A128 A152 L153E126-Q156 PolarHBondContact O-OE1 3.11Å; A128-Q156 HydrophobicContact CB-CB 4.06Å; A128-Q156 HydrophobicContact CB-CG 4.3Å; A152-Q156 PolarHBondContact O-N 3.41Å; L153-Q156 WeakPolarHBondContact O-CB 3.36Å; L153-Q156 PolarHBondContact O-N 3.33Å
157L91.1Very high90.8Very high6 Ų637.8 Ų37.83%0.03118%0.183CC..Hα-helixtrans-63.7-45.9173.9-65.1173.3000112A128 I130 I133 Y136 L153 I154 F155 R159 N160 N163 L167A128-L157 HydrophobicContact CB-CD1 4.48Å; A128-L157 HydrophobicContact CB-CD2 3.94Å; A128-L157 HydrophobicContact CB-CG 3.82Å; A128-L157 WeakPolarHBondContact O-CD2 3.31Å; I130-L157 HydrophobicContact CB-CD2 4.33Å; I130-L157 HydrophobicContact CD1-CB 4.45Å; I130-L157 HydrophobicContact CD1-CD1 4.01Å; I130-L157 HydrophobicContact CD1-CD2 4.26Å; I130-L157 HydrophobicContact CD1-CG 4.48Å; I133-L157 HydrophobicContact CG1-CD1 4.19Å; Y136-L157 HydrophobicContact CD2-CD1 4.16Å; Y136-L157 HydrophobicContact CE2-CD1 3.77Å; L153-L157 PolarHBondContact O-N 2.96Å; I154-L157 WeakPolarHBondContact O-CB 2.87Å; I154-L157 PolarHBondContact O-N 3.17Å; F155-L157 VanDerWaalsContact C-N 3.26Å; F155-L157 PolarHBondContact O-N 2.95Å; L157-R159 VanDerWaalsContact C-N 3.26Å; L157-R159 PolarHBondContact O-N 3.49Å; L157-N160 PolarHBondContact O-N 3.46Å; L157-N160 VanDerWaalsContact O-N 3.15Å; L157-N163 WeakPolarHBondContact O-CB 3.36Å; L157-N163 PolarHBondContact O-ND2 3.01Å; L157-N163 VanDerWaalsContact O-ND2 3.1Å; L157-L167 HydrophobicContact CB-CD1 4.13Å
158A91.1Very high90.6Very high1 Ų140 Ų401%0.00820%0.195CC..Hα-helixtrans-67.2-21.3-177.500000113.9I154 F155 N160 L164 L167 V198 C201I154-A158 PolarHBondContact O-N 3.38Å; F155-A158 PolarHBondContact O-N 3.28Å; F155-A158 VanDerWaalsContact O-N 3.11Å; A158-N160 PolarHBondContact O-N 3.09Å; A158-L164 HydrophobicContact CB-CD2 4.01Å; A158-L164 WeakPolarHBondContact O-CD2 3.4Å; A158-L167 HydrophobicContact CB-CD1 3.97Å; A158-V198 HydrophobicContact CB-CG1 4.1Å; A158-C201 HydrophobicContact CB-CB 4.04Å; A158-C201 VanDerWaalsContact O-CB 3.3Å; A158-C201 WeakPolarHBondContact O-CB 3.3Å
159R87.3Confident90.4Very high74 Ų7446.3 Ų46.328%0.27922%0.224SC..THydrogen-bonded Turntrans-66.8-20.5173.7-73.6178.778.6-1622.9112.9P113 R114 F155 L157 P161P113-R159 PolarHBondContact O-NE 3.34Å; R114-R159 PolarHBondContact O-NH2 3.03Å; F155-R159 HydrophobicContact CD2-CG 4.28Å; F155-R159 HydrophobicContact CE1-CG 4.24Å; F155-R159 HydrophobicContact CE2-CG 3.78Å; F155-R159 HydrophobicContact CZ-CG 3.77Å; F155-R159 WeakPolarHBondContact O-CG 3.04Å; F155-R159 PolarHBondContact O-N 3.07Å; L157-R159 VanDerWaalsContact C-N 3.26Å; L157-R159 PolarHBondContact O-N 3.49Å; R159-P161 WeakPolarHBondContact O-CD 3.35Å
160N86.3Confident90.3Very high52 Ų5245.5 Ų45.528%0.27822%0.224SC..SBendtrans-89.4114.2171.1-170.612000109.9L157 A158 D162 N163L157-N160 PolarHBondContact O-N 3.46Å; L157-N160 VanDerWaalsContact O-N 3.15Å; A158-N160 PolarHBondContact O-N 3.09Å; N160-D162 PolarHBondContact O-N 2.95Å; N160-D162 VanDerWaalsContact O-N 3.15Å; N160-N163 HydrophobicContact CB-CB 4.42Å; N160-N163 WeakPolarHBondContact O-CB 3.36Å; N160-N163 PolarHBondContact O-N 3.04Å
161P85.9Confident90.1Very high55 Ų5551.6 Ų51.636%0.35725%0.252SS..Hα-helixtrans-55.7-32.8-180-26.836.2000114R159 N163 L164 F205R159-P161 WeakPolarHBondContact O-CD 3.35Å; P161-N163 PolarHBondContact O-N 3.3Å; P161-L164 WeakPolarHBondContact O-CB 3.48Å; P161-L164 PolarHBondContact O-N 3.47Å; P161-L164 VanDerWaalsContact O-N 3.13Å; P161-F205 HydrophobicContact CB-CE2 4.44Å; P161-F205 HydrophobicContact CB-CZ 3.98Å; P161-F205 HydrophobicContact CG-CZ 4.26Å
162D87.3Confident90Very high132 Ų13256.4 Ų56.471%0.70628%0.281SS*.Hα-helixtrans-63.4-29.4-180-58.2-30.2000112.2N160N160-D162 PolarHBondContact O-N 2.95Å; N160-D162 VanDerWaalsContact O-N 3.15Å
163N91.3Very high90.1Very high31 Ų3156.1 Ų56.117%0.16628%0.279CS..Hα-helixtrans-81.6-15.1179.6-66-10.6000112.7I130 L157 N160 P161 E165 E166 L167I130-N163 HydrophobicContact CD1-CB 4.12Å; L157-N163 WeakPolarHBondContact O-CB 3.36Å; L157-N163 PolarHBondContact O-ND2 3.01Å; L157-N163 VanDerWaalsContact O-ND2 3.1Å; N160-N163 HydrophobicContact CB-CB 4.42Å; N160-N163 WeakPolarHBondContact O-CB 3.36Å; N160-N163 PolarHBondContact O-N 3.04Å; P161-N163 PolarHBondContact O-N 3.3Å; N163-E165 VanDerWaalsContact C-N 3.34Å; N163-E165 PolarHBondContact O-N 3.41Å; N163-E166 PolarHBondContact O-N 3.29Å; N163-L167 HydrophobicContact CB-CD1 4.49Å; N163-L167 WeakPolarHBondContact O-CB 3.35Å; N163-L167 WeakPolarHBondContact O-CG 3.22Å; N163-L167 PolarHBondContact O-N 3.31Å
164L90.6Very high90.2Very high2 Ų255.9 Ų55.91%0.0128%0.277CS..Hα-helixtrans-66.7-35.9-174.1-68.8177.6000112.4A158 P161 E166 M168 C201 F202 F205 F208A158-L164 HydrophobicContact CB-CD2 4.01Å; A158-L164 WeakPolarHBondContact O-CD2 3.4Å; P161-L164 WeakPolarHBondContact O-CB 3.48Å; P161-L164 PolarHBondContact O-N 3.47Å; P161-L164 VanDerWaalsContact O-N 3.13Å; L164-E166 VanDerWaalsContact C-N 3.35Å; L164-M168 WeakPolarHBondContact O-CB 3.35Å; L164-M168 PolarHBondContact O-N 3.49Å; L164-C201 HydrophobicContact CD2-CB 4.14Å; L164-F202 HydrophobicContact CB-CE1 4.19Å; L164-F202 HydrophobicContact CD2-CD1 4.13Å; L164-F202 HydrophobicContact CD2-CD2 4.2Å; L164-F202 HydrophobicContact CD2-CE1 3.97Å; L164-F202 HydrophobicContact CD2-CE2 4.03Å; L164-F202 HydrophobicContact CD2-CG 4.26Å; L164-F202 HydrophobicContact CD2-CZ 3.92Å; L164-F202 WeakPolarHBondContact O-CE1 3.37Å; L164-F205 HydrophobicContact CD1-CD2 3.82Å; L164-F205 HydrophobicContact CD1-CE2 3.5Å; L164-F205 VanDerWaalsContact CD1-CE2 3.5Å; L164-F208 HydrophobicContact CB-CE2 3.98Å; L164-F208 HydrophobicContact CB-CZ 4.08Å; L164-F208 HydrophobicContact CD1-CE2 4.15Å
165E88.9Confident90.2Very high116 Ų11657 Ų5754%0.54229%0.29SS..Hα-helixtrans-66.5-38.3176.8-69.2-170.7176.200111.9N163 Q169 F208N163-E165 VanDerWaalsContact C-N 3.34Å; N163-E165 PolarHBondContact O-N 3.41Å; E165-Q169 WeakPolarHBondContact O-CG 3.41Å; E165-Q169 PolarHBondContact O-N 2.93Å; E165-F208 HydrophobicContact CG-CZ 4.22Å
166E89.4Confident90.4Very high78 Ų7856 Ų5636%0.36429%0.286SS..Hα-helixtrans-69.2-48.4175.8-169.9169.7171.600110.7I130 N163 L164 M168 Q169 H170I130-E166 HydrophobicContact CG1-CG 4.08Å; I130-E166 WeakPolarHBondContact CG1-OE1 3.2Å; I130-E166 WeakPolarHBondContact CG1-OE2 3.26Å; N163-E166 PolarHBondContact O-N 3.29Å; L164-E166 VanDerWaalsContact C-N 3.35Å; E166-M168 PolarHBondContact O-N 3.4Å; E166-Q169 WeakPolarHBondContact O-CB 3.41Å; E166-Q169 PolarHBondContact O-N 3.31Å; E166-H170 PolarHBondContact O-CD2 3.2Å; E166-H170 PolarHBondContact O-N 3.16Å
167L91.2Very high90.7Very high2 Ų252.2 Ų52.21%0.0127%0.268CS..Hα-helixtrans-59-33.3176-72.4171.1000112.9I130 I133 L157 A158 N163 Q169 H170 F202I130-L167 HydrophobicContact CD1-CD2 4.09Å; I130-L167 HydrophobicContact CD1-CG 4.1Å; I133-L167 HydrophobicContact CD1-CD2 3.89Å; I133-L167 HydrophobicContact CG1-CD2 4.3Å; L157-L167 HydrophobicContact CB-CD1 4.13Å; A158-L167 HydrophobicContact CB-CD1 3.97Å; N163-L167 HydrophobicContact CB-CD1 4.49Å; N163-L167 WeakPolarHBondContact O-CB 3.35Å; N163-L167 WeakPolarHBondContact O-CG 3.22Å; N163-L167 PolarHBondContact O-N 3.31Å; L167-Q169 VanDerWaalsContact C-N 3.3Å; L167-Q169 PolarHBondContact O-N 3.41Å; L167-H170 PolarHBondContact O-N 2.94Å; L167-F202 HydrophobicContact CB-CZ 3.78Å
168M89.8Confident91Very high71 Ų7152 Ų5235%0.3527%0.268SS..Hα-helixtrans-63.7-35174.1-179.2-177.367.200112.3L164 E166 H170 F202 F208 L211L164-M168 WeakPolarHBondContact O-CB 3.35Å; L164-M168 PolarHBondContact O-N 3.49Å; E166-M168 PolarHBondContact O-N 3.4Å; M168-H170 PolarHBondContact O-N 2.97Å; M168-F202 HydrophobicContact CB-CE1 4.22Å; M168-F208 HydrophobicContact CB-CE1 4.47Å; M168-F208 HydrophobicContact CE-CE1 4.22Å; M168-F208 HydrophobicContact SD-CD1 3.66Å; M168-F208 HydrophobicContact SD-CE1 3.57Å; M168-F208 VanDerWaalsContact SD-CE1 3.57Å; M168-L211 HydrophobicContact CB-CD2 4.39Å; M168-L211 HydrophobicContact CG-CD1 4.26Å; M168-L211 HydrophobicContact CG-CD2 3.94Å
169Q88.4Confident91.2Very high149 Ų14955.1 Ų55.170%0.69628%0.279SS*.Hα-helixtrans-69.7-25.2177.6-65.1174.820.300111.8E165 E166 L167 E171E165-Q169 WeakPolarHBondContact O-CG 3.41Å; E165-Q169 PolarHBondContact O-N 2.93Å; E166-Q169 WeakPolarHBondContact O-CB 3.41Å; E166-Q169 PolarHBondContact O-N 3.31Å; L167-Q169 VanDerWaalsContact C-N 3.3Å; L167-Q169 PolarHBondContact O-N 3.41Å; Q169-E171 PolarHBondContact O-N 3.09Å; Q169-E171 VanDerWaalsContact O-N 3.14Å
170H89.1Confident91.7Very high66 Ų6651.6 Ų51.631%0.30627%0.266SS..  trans-86.369.2175.5-66.7-79.8000112.1E166 L167 M168 V172 V173E166-H170 PolarHBondContact O-CD2 3.2Å; E166-H170 PolarHBondContact O-N 3.16Å; L167-H170 PolarHBondContact O-N 2.94Å; M168-H170 PolarHBondContact O-N 2.97Å; H170-V172 PolarHBondContact O-N 3.42Å; H170-V173 HydrophobicContact CB-CB 4.4Å; H170-V173 HydrophobicContact CB-CG2 3.7Å; H170-V173 WeakPolarHBondContact O-CB 3.33Å; H170-V173 PolarHBondContact O-N 3.22Å
171E88.2Confident92.2Very high127 Ų12749.1 Ų49.159%0.59325%0.253SS*.Hα-helixtrans-54.8-28.6179.9-73.3-165.7164.600113.9Q169 V173 L174 G175Q169-E171 PolarHBondContact O-N 3.09Å; Q169-E171 VanDerWaalsContact O-N 3.14Å; E171-V173 VanDerWaalsContact C-N 3.32Å; E171-V173 PolarHBondContact O-N 3.22Å; E171-L174 PolarHBondContact O-N 2.98Å; E171-G175 PolarHBondContact O-N 3.22Å
172V92.1Very high92.7Very high102 Ų10252.9 Ų52.962%0.61826%0.26SS*.Hα-helixtrans-60.5-41.9177.7-178.70000111.3V137 H170 G175 A176V137-V172 HydrophobicContact CG1-CG1 4.41Å; H170-V172 PolarHBondContact O-N 3.42Å; V172-G175 PolarHBondContact O-N 2.99Å; V172-A176 VanDerWaalsContact O-CB 3.31Å; V172-A176 WeakPolarHBondContact O-CB 3.45Å; V172-A176 PolarHBondContact O-N 3.12Å
173V93.9Very high93.1Very high2 Ų251.9 Ų51.91%0.01225%0.251CS..Hα-helixtrans-64.4-50.3-179.7-177.50000110I133 V137 I154 H170 E171 G175 A176 L177I133-V173 HydrophobicContact CG2-CB 4.49Å; I133-V173 HydrophobicContact CG2-CG2 3.13Å; V137-V173 HydrophobicContact CG2-CB 4.06Å; V137-V173 HydrophobicContact CG2-CG1 4.17Å; V137-V173 HydrophobicContact CG2-CG2 3.55Å; I154-V173 HydrophobicContact CD1-CG1 3.79Å; I154-V173 HydrophobicContact CG1-CG1 4.28Å; I154-V173 HydrophobicContact CG2-CG1 4.08Å; H170-V173 HydrophobicContact CB-CB 4.4Å; H170-V173 HydrophobicContact CB-CG2 3.7Å; H170-V173 WeakPolarHBondContact O-CB 3.33Å; H170-V173 PolarHBondContact O-N 3.22Å; E171-V173 VanDerWaalsContact C-N 3.32Å; E171-V173 PolarHBondContact O-N 3.22Å; V173-G175 VanDerWaalsContact C-N 3.32Å; V173-G175 PolarHBondContact O-N 2.87Å; V173-A176 PolarHBondContact O-N 2.81Å; V173-L177 HydrophobicContact CG1-CD1 4.18Å; V173-L177 WeakPolarHBondContact O-CB 3.28Å; V173-L177 WeakPolarHBondContact O-CG 3.36Å; V173-L177 PolarHBondContact O-N 3.42Å
174L94.6Very high93.2Very high1 Ų151 Ų511%0.00525%0.246CC..Hα-helixtrans-65.8-37.9-179.5-60.1179.2000111.3E171 A178 F199 F202 L211 F215E171-L174 PolarHBondContact O-N 2.98Å; L174-A178 VanDerWaalsContact O-CB 3.22Å; L174-A178 WeakPolarHBondContact O-CB 3.24Å; L174-A178 PolarHBondContact O-N 2.82Å; L174-F199 HydrophobicContact CD2-CE1 4.14Å; L174-F199 HydrophobicContact CD2-CZ 4.43Å; L174-F202 HydrophobicContact CD1-CZ 4.44Å; L174-F202 HydrophobicContact CD2-CE2 3.71Å; L174-F202 HydrophobicContact CD2-CZ 3.97Å; L174-L211 HydrophobicContact CD1-CD1 3.94Å; L174-L211 HydrophobicContact CD1-CD2 3.7Å; L174-L211 HydrophobicContact CD1-CG 4.09Å; L174-F215 HydrophobicContact CB-CD2 4.28Å; L174-F215 HydrophobicContact CB-CE1 4.5Å; L174-F215 HydrophobicContact CB-CE2 3.7Å; L174-F215 HydrophobicContact CB-CZ 3.83Å; L174-F215 HydrophobicContact CD1-CE2 4.15Å
175G95.2Very high93.3Very high26 Ų2652.2 Ų52.227%0.26825%0.251SS..Hα-helixtrans-63.2-44.317300000112.7E171 V172 V173 A178 R179E171-G175 PolarHBondContact O-N 3.22Å; V172-G175 PolarHBondContact O-N 2.99Å; V173-G175 VanDerWaalsContact C-N 3.32Å; V173-G175 PolarHBondContact O-N 2.87Å; G175-A178 PolarHBondContact O-N 3.07Å; G175-R179 WeakPolarHBondContact O-CB 3.45Å; G175-R179 PolarHBondContact O-N 3.31Å
176A96.3Very high93.5Very high3 Ų352.9 Ų52.93%0.02525%0.252CS..Hα-helixtrans-63.5-48.2176.400000111.3V137 L140 V172 V173 A178 R179 V180V137-A176 HydrophobicContact CG1-CB 4.21Å; L140-A176 HydrophobicContact CD1-CB 3.84Å; V172-A176 VanDerWaalsContact O-CB 3.31Å; V172-A176 WeakPolarHBondContact O-CB 3.45Å; V172-A176 PolarHBondContact O-N 3.12Å; V173-A176 PolarHBondContact O-N 2.81Å; A176-A178 PolarHBondContact O-N 3.03Å; A176-R179 WeakPolarHBondContact O-CB 3.41Å; A176-R179 PolarHBondContact O-N 2.7Å; A176-V180 WeakPolarHBondContact O-CG2 3.44Å; A176-V180 PolarHBondContact O-N 2.88Å
177L96.9Very high93.6Very high0 Ų054.7 Ų54.70%026%0.26CS..Hα-helixtrans-58.6-46.4175.4-73172.9000112L140 A151 I154 V173 R179 V180 L181 I195 V198 F199L140-L177 HydrophobicContact CD1-CD2 3.77Å; L140-L177 HydrophobicContact CD1-CG 4Å; L140-L177 HydrophobicContact CD2-CD2 4.16Å; A151-L177 HydrophobicContact CB-CD2 4.21Å; I154-L177 HydrophobicContact CD1-CD1 4.38Å; I154-L177 HydrophobicContact CD1-CD2 4.16Å; I154-L177 HydrophobicContact CD1-CG 4.39Å; I154-L177 HydrophobicContact CG2-CD1 3.95Å; V173-L177 HydrophobicContact CG1-CD1 4.18Å; V173-L177 WeakPolarHBondContact O-CB 3.28Å; V173-L177 WeakPolarHBondContact O-CG 3.36Å; V173-L177 PolarHBondContact O-N 3.42Å; L177-R179 VanDerWaalsContact C-N 3.32Å; L177-R179 PolarHBondContact O-N 2.91Å; L177-V180 PolarHBondContact O-N 3.26Å; L177-L181 WeakPolarHBondContact O-CB 3.47Å; L177-L181 PolarHBondContact O-N 2.96Å; L177-I195 HydrophobicContact CB-CG2 3.98Å; L177-I195 HydrophobicContact CD2-CG1 3.96Å; L177-I195 HydrophobicContact CD2-CG2 4.22Å; L177-V198 HydrophobicContact CD1-CB 4.41Å; L177-V198 HydrophobicContact CD1-CG1 3.9Å; L177-V198 HydrophobicContact CD1-CG2 4.4Å; L177-F199 HydrophobicContact CB-CE2 3.99Å; L177-F199 HydrophobicContact CB-CZ 4.27Å
178A96.7Very high93.6Very high3 Ų355.3 Ų55.33%0.02526%0.264CS..Hα-helixtrans-64.3-35.7178.500000112.6L174 G175 A176 R182 F199 F215 I217L174-A178 VanDerWaalsContact O-CB 3.22Å; L174-A178 WeakPolarHBondContact O-CB 3.24Å; L174-A178 PolarHBondContact O-N 2.82Å; G175-A178 PolarHBondContact O-N 3.07Å; A176-A178 PolarHBondContact O-N 3.03Å; A178-R182 WeakPolarHBondContact O-CB 3.29Å; A178-R182 PolarHBondContact O-N 2.88Å; A178-R182 VanDerWaalsContact O-N 3.12Å; A178-F199 HydrophobicContact CB-CZ 4.31Å; A178-F215 HydrophobicContact CB-CB 3.97Å; A178-F215 HydrophobicContact CB-CD1 3.96Å; A178-F215 HydrophobicContact CB-CG 4.24Å; A178-I217 HydrophobicContact CB-CD1 3.83Å
179R96.8Very high93.8Very high65 Ų6552.7 Ų52.725%0.24525%0.253CS..Hα-helixtrans-65.7-51.7173.8-178.6-169.361.473.4-0.5110.8L140 G175 A176 L177 L181 R182 E183L140-R179 PolarHBondContact O-NH2 3.09Å; G175-R179 WeakPolarHBondContact O-CB 3.45Å; G175-R179 PolarHBondContact O-N 3.31Å; A176-R179 WeakPolarHBondContact O-CB 3.41Å; A176-R179 PolarHBondContact O-N 2.7Å; L177-R179 VanDerWaalsContact C-N 3.32Å; L177-R179 PolarHBondContact O-N 2.91Å; R179-L181 VanDerWaalsContact C-N 3.32Å; R179-L181 PolarHBondContact O-N 3.35Å; R179-R182 WeakPolarHBondContact O-CA 3.34Å; R179-R182 WeakPolarHBondContact O-CB 3.42Å; R179-R182 PolarHBondContact O-N 3.4Å; R179-E183 WeakPolarHBondContact CG-OE1 3.13Å; R179-E183 IonicContact CZ-OE2 2.77Å; R179-E183 IonicContact NH1-OE2 2.62Å; R179-E183 PolarHBondContact NH1-OE2 3.45Å; R179-E183 PolarHBondContact O-N 2.87Å
180V96.6Very high93.9Very high0 Ų047.3 Ų47.30%023%0.228CC..Hα-helixtrans-59.8-43.9179.21750000110.7L140 K147 A176 L177 R182 E183 D184 L191 I195L140-V180 HydrophobicContact CB-CG2 4.18Å; L140-V180 WeakPolarHBondContact O-CG2 3.46Å; K147-V180 HydrophobicContact CD-CG1 4.26Å; A176-V180 WeakPolarHBondContact O-CG2 3.44Å; A176-V180 PolarHBondContact O-N 2.88Å; L177-V180 PolarHBondContact O-N 3.26Å; V180-R182 PolarHBondContact O-N 3.48Å; V180-E183 PolarHBondContact O-N 2.91Å; V180-D184 HydrophobicContact CG1-CB 4.34Å; V180-D184 WeakPolarHBondContact O-CB 3.23Å; V180-D184 PolarHBondContact O-N 3.19Å; V180-L191 HydrophobicContact CG1-CD1 4.36Å; V180-L191 HydrophobicContact CG1-CD2 3.81Å; V180-L191 HydrophobicContact CG1-CG 4.31Å; V180-I195 HydrophobicContact CB-CD1 4.02Å; V180-I195 HydrophobicContact CG1-CD1 3.62Å
181L97.2Very high94.1Very high1 Ų144.2 Ų44.21%0.00521%0.214CC..Hα-helixtrans-61.8-30.9174.9-174.366000112.3L177 R179 W185 A192 I195 V196 I217 L220 I224L177-L181 WeakPolarHBondContact O-CB 3.47Å; L177-L181 PolarHBondContact O-N 2.96Å; R179-L181 VanDerWaalsContact C-N 3.32Å; R179-L181 PolarHBondContact O-N 3.35Å; L181-W185 HydrophobicContact CD1-CB 4.03Å; L181-W185 VanDerWaalsContact O-CB 3.26Å; L181-W185 WeakPolarHBondContact O-CB 3.44Å; L181-A192 HydrophobicContact CD1-CB 4.19Å; L181-I195 HydrophobicContact CB-CB 4.5Å; L181-I195 HydrophobicContact CB-CD1 4.31Å; L181-I195 HydrophobicContact CB-CG2 3.89Å; L181-I195 HydrophobicContact CD1-CB 4.33Å; L181-I195 HydrophobicContact CD1-CG2 4.42Å; L181-I195 HydrophobicContact CD2-CG2 4.23Å; L181-I195 HydrophobicContact CG-CG2 4.41Å; L181-V196 HydrophobicContact CD1-CG2 3.93Å; L181-V196 HydrophobicContact CD2-CG2 3.95Å; L181-I217 HydrophobicContact CD2-CD1 4.2Å; L181-I217 HydrophobicContact CD2-CG2 4.48Å; L181-L220 HydrophobicContact CD2-CB 4.39Å; L181-L220 HydrophobicContact CD2-CD1 4.12Å; L181-L220 HydrophobicContact CG-CD1 4.31Å; L181-I224 HydrophobicContact CD1-CD1 3.91Å; L181-I224 HydrophobicContact CG-CD1 4.35Å
182R96.4Very high94.5Very high134 Ų13438.1 Ų38.151%0.50619%0.186SC..Hα-helixtrans-75.1-37.7178.8-172.3179-56.7179.56.4112.6A178 R179 V180 L220A178-R182 WeakPolarHBondContact O-CB 3.29Å; A178-R182 PolarHBondContact O-N 2.88Å; A178-R182 VanDerWaalsContact O-N 3.12Å; R179-R182 WeakPolarHBondContact O-CA 3.34Å; R179-R182 WeakPolarHBondContact O-CB 3.42Å; R179-R182 PolarHBondContact O-N 3.4Å; V180-R182 PolarHBondContact O-N 3.48Å; R182-L220 HydrophobicContact CB-CD1 4.33Å; R182-L220 HydrophobicContact CB-CD2 4.35Å; R182-L220 HydrophobicContact CG-CD2 4.18Å
183E94.8Very high94.6Very high110 Ų11033.9 Ų33.951%0.51416%0.16SC..Hα-helixtrans-90.1-40-171.9-69168.7-176.900112.3R179 V180R179-E183 WeakPolarHBondContact CG-OE1 3.13Å; R179-E183 IonicContact CZ-OE2 2.77Å; R179-E183 IonicContact NH1-OE2 2.62Å; R179-E183 PolarHBondContact NH1-OE2 3.45Å; R179-E183 PolarHBondContact O-N 2.87Å; V180-E183 PolarHBondContact O-N 2.91Å
184D93.7Very high94.6Very high14 Ų1434.3 Ų34.38%0.07516%0.162CC..Hα-helixtrans-115.8-2.9-162.4-63.4-34.6000115K147 V180 K186 Q187 S188 L191K147-D184 IonicContact NZ-OD2 2.8Å; K147-D184 PolarHBondContact NZ-OD2 3.09Å; V180-D184 HydrophobicContact CG1-CB 4.34Å; V180-D184 WeakPolarHBondContact O-CB 3.23Å; V180-D184 PolarHBondContact O-N 3.19Å; D184-K186 PolarHBondContact O-N 3.17Å; D184-K186 VanDerWaalsContact O-N 3.07Å; D184-Q187 WeakPolarHBondContact O-CB 3.16Å; D184-Q187 PolarHBondContact O-N 3.46Å; D184-Q187 PolarHBondContact OD1-NE2 3.5Å; D184-S188 PolarHBondContact O-N 2.88Å; D184-L191 HydrophobicContact CB-CD2 4.04Å
185W93.3Very high94.6Very high27 Ų2734.2 Ų34.210%0.10216%0.162CC..THydrogen-bonded Turntrans-58.7-27.6-175.968-83.1000114.8L181 Q187 A192 I224 H227L181-W185 HydrophobicContact CD1-CB 4.03Å; L181-W185 VanDerWaalsContact O-CB 3.26Å; L181-W185 WeakPolarHBondContact O-CB 3.44Å; W185-Q187 VanDerWaalsContact C-N 3.32Å; W185-A192 HydrophobicContact CB-CB 3.94Å; W185-I224 HydrophobicContact CB-CD1 4.43Å; W185-I224 HydrophobicContact CD2-CD1 4.47Å; W185-I224 HydrophobicContact CD2-CG1 3.72Å; W185-I224 HydrophobicContact CE3-CB 4.32Å; W185-I224 HydrophobicContact CE3-CG1 3.62Å; W185-I224 HydrophobicContact CE3-CG2 4.39Å; W185-I224 HydrophobicContact CG-CD1 4.46Å; W185-I224 HydrophobicContact CG-CG1 4.19Å; W185-I224 HydrophobicContact CH2-CG1 4.4Å; W185-I224 HydrophobicContact CZ3-CB 4.3Å; W185-I224 HydrophobicContact CZ3-CG1 3.98Å; W185-I224 HydrophobicContact CZ3-CG2 4.46Å; W185-H227 HydrophobicContact CH2-CB 3.4Å; W185-H227 VanDerWaalsContact CH2-CB 3.4Å; W185-H227 AromaticContact CH2-CD2 3.96Å; W185-H227 AromaticContact CH2-CG 3.46Å; W185-H227 VanDerWaalsContact CH2-CG 3.46Å; W185-H227 AromaticContact CH2-ND1 3.81Å; W185-H227 HydrophobicContact CZ3-CB 3.79Å; W185-H227 AromaticContact CZ3-CG 3.68Å; W185-H227 AromaticContact CZ3-ND1 3.54Å
186K93.4Very high94.7Very high130 Ų13033 Ų3357%0.56515%0.149SC*.THydrogen-bonded Turntrans-75.4-22.4176-65.2-174.2179.6-178.20113.1D184D184-K186 PolarHBondContact O-N 3.17Å; D184-K186 VanDerWaalsContact O-N 3.07Å
187Q91.3Very high94.6Very high116 Ų11633.2 Ų33.254%0.54215%0.151SC..THydrogen-bonded Turntrans-80.9-35.7-176.4-58.5178.934.400111.2I144 D184 W185I144-Q187 HydrophobicContact CD1-CB 4.19Å; D184-Q187 WeakPolarHBondContact O-CB 3.16Å; D184-Q187 PolarHBondContact O-N 3.46Å; D184-Q187 PolarHBondContact OD1-NE2 3.5Å; W185-Q187 VanDerWaalsContact C-N 3.32Å
188S92.1Very high94.5Very high14 Ų1433.2 Ų33.210%0.09815%0.151CC..  trans-142.8119.2180177.40000112.4D184 D190 L191 A192D184-S188 PolarHBondContact O-N 2.88Å; S188-D190 VanDerWaalsContact C-N 3.3Å; S188-D190 PolarHBondContact OG-N 2.92Å; S188-L191 PolarHBondContact O-N 3.07Å; S188-L191 PolarHBondContact OG-N 2.79Å; S188-A192 PolarHBondContact O-N 2.85Å; S188-A192 VanDerWaalsContact O-N 3.09Å
189V92.3Very high94.5Very high17 Ų1733 Ų3310%0.10315%0.149CC..Hα-helixtrans-64.4-38.1173.4-178.60000110.5A192 T193 K272 L276V189-A192 PolarHBondContact O-N 3.1Å; V189-T193 VanDerWaalsContact O-CB 3.31Å; V189-T193 WeakPolarHBondContact O-CB 3.24Å; V189-T193 PolarHBondContact O-N 3.15Å; V189-T193 PolarHBondContact O-OG1 3.12Å; V189-K272 HydrophobicContact CG1-CB 3.93Å; V189-K272 WeakPolarHBondContact CG1-O 3.38Å; V189-L276 HydrophobicContact CG1-CB 3.98Å; V189-L276 HydrophobicContact CG1-CD2 3.89Å
190D90.9Very high94.4Very high35 Ų3530.2 Ų30.219%0.18714%0.139CC..Hα-helixtrans-64.8-45.2-179.6-57.2-44.3000109.9I148 S188 T193 T194 K272I148-D190 HydrophobicContact CD1-CB 4.31Å; S188-D190 VanDerWaalsContact C-N 3.3Å; S188-D190 PolarHBondContact OG-N 2.92Å; D190-T193 PolarHBondContact O-N 3.47Å; D190-T194 PolarHBondContact O-N 3.03Å; D190-T194 PolarHBondContact O-OG1 3.1Å; D190-K272 VanDerWaalsContact CG-NZ 3.35Å; D190-K272 WeakPolarHBondContact OD1-CD 3.17Å; D190-K272 WeakPolarHBondContact OD1-CE 3.42Å; D190-K272 IonicContact OD1-NZ 3.44Å; D190-K272 PolarHBondContact OD1-NZ 3.38Å; D190-K272 IonicContact OD2-NZ 2.72Å; D190-K272 PolarHBondContact OD2-NZ 3.19Å
191L93.6Very high94.2Very high1 Ų130.2 Ų30.21%0.00514%0.139CC..Hα-helixtrans-60.7-48.6175.8-178.259.3000111.7K147 I148 A151 V180 D184 S188 T193 T194 I195K147-L191 HydrophobicContact CB-CD1 3.93Å; K147-L191 HydrophobicContact CB-CD2 4.12Å; K147-L191 HydrophobicContact CD-CD2 4.39Å; I148-L191 HydrophobicContact CD1-CB 4.48Å; I148-L191 HydrophobicContact CG1-CB 3.75Å; I148-L191 HydrophobicContact CG1-CD1 4.04Å; I148-L191 HydrophobicContact CG1-CG 4.43Å; A151-L191 HydrophobicContact CB-CD1 4.21Å; V180-L191 HydrophobicContact CG1-CD1 4.36Å; V180-L191 HydrophobicContact CG1-CD2 3.81Å; V180-L191 HydrophobicContact CG1-CG 4.31Å; D184-L191 HydrophobicContact CB-CD2 4.04Å; S188-L191 PolarHBondContact O-N 3.07Å; S188-L191 PolarHBondContact OG-N 2.79Å; L191-T193 VanDerWaalsContact C-N 3.3Å; L191-T193 PolarHBondContact O-N 2.9Å; L191-T194 PolarHBondContact O-N 2.93Å; L191-I195 HydrophobicContact CD1-CD1 3.75Å; L191-I195 HydrophobicContact CD1-CG1 4.17Å; L191-I195 HydrophobicContact CG-CD1 3.9Å; L191-I195 WeakPolarHBondContact O-CG1 3.18Å; L191-I195 PolarHBondContact O-N 3.46Å
192A95.8Very high94.1Very high0 Ų030.2 Ų30.20%014%0.139CC..Hα-helixtrans-59-44.4177.700000111.3L181 W185 S188 V189 I195 V196 L276L181-A192 HydrophobicContact CD1-CB 4.19Å; W185-A192 HydrophobicContact CB-CB 3.94Å; S188-A192 PolarHBondContact O-N 2.85Å; S188-A192 VanDerWaalsContact O-N 3.09Å; V189-A192 PolarHBondContact O-N 3.1Å; A192-I195 PolarHBondContact O-N 3.5Å; A192-V196 WeakPolarHBondContact O-CB 3.35Å; A192-V196 WeakPolarHBondContact O-CG2 3.48Å; A192-V196 PolarHBondContact O-N 3.29Å; A192-L276 HydrophobicContact CB-CD1 3.97Å; A192-L276 HydrophobicContact CB-CD2 4.18Å
193T94.8Very high94Very high13 Ų1323.9 Ų23.98%0.0812%0.115CC..Hα-helixtrans-61.3-48.1179.8-56.90000110.7V189 D190 L191 V196 S197 Q275 L276 V279V189-T193 VanDerWaalsContact O-CB 3.31Å; V189-T193 WeakPolarHBondContact O-CB 3.24Å; V189-T193 PolarHBondContact O-N 3.15Å; V189-T193 PolarHBondContact O-OG1 3.12Å; D190-T193 PolarHBondContact O-N 3.47Å; L191-T193 VanDerWaalsContact C-N 3.3Å; L191-T193 PolarHBondContact O-N 2.9Å; T193-V196 PolarHBondContact O-N 3.11Å; T193-S197 WeakPolarHBondContact O-CB 3.38Å; T193-S197 PolarHBondContact O-N 3.33Å; T193-S197 PolarHBondContact O-OG 3.04Å; T193-Q275 HydrophobicContact CG2-CG 3.9Å; T193-L276 WeakPolarHBondContact OG1-CB 3.5Å; T193-V279 HydrophobicContact CG2-CG1 4.17Å
194T93.4Very high93.8Very high10 Ų1020.6 Ų20.66%0.06110%0.104CC..Hα-helixtrans-62.5-47.4-179.8-56.10000111.6A151 A152 F155 D190 L191 S197 V198A151-T194 VanDerWaalsContact C-CG2 3.42Å; A151-T194 HydrophobicContact CB-CG2 3.76Å; A151-T194 WeakPolarHBondContact O-CG2 2.84Å; A152-T194 HydrophobicContact CB-CG2 4.09Å; F155-T194 HydrophobicContact CB-CG2 4.1Å; D190-T194 PolarHBondContact O-N 3.03Å; D190-T194 PolarHBondContact O-OG1 3.1Å; L191-T194 PolarHBondContact O-N 2.93Å; T194-S197 WeakPolarHBondContact O-CB 3.34Å; T194-S197 PolarHBondContact O-N 3.15Å; T194-V198 PolarHBondContact O-N 2.99Å; T194-V198 VanDerWaalsContact O-N 3.09Å
195I96.2Very high93.7Very high0 Ų023.6 Ų23.60%012%0.117CC..Hα-helixtrans-65.7-43180-60.7170.1000111.3A151 L177 V180 L181 L191 A192 S197 V198 F199A151-I195 HydrophobicContact CB-CG1 3.87Å; L177-I195 HydrophobicContact CB-CG2 3.98Å; L177-I195 HydrophobicContact CD2-CG1 3.96Å; L177-I195 HydrophobicContact CD2-CG2 4.22Å; V180-I195 HydrophobicContact CB-CD1 4.02Å; V180-I195 HydrophobicContact CG1-CD1 3.62Å; L181-I195 HydrophobicContact CB-CB 4.5Å; L181-I195 HydrophobicContact CB-CD1 4.31Å; L181-I195 HydrophobicContact CB-CG2 3.89Å; L181-I195 HydrophobicContact CD1-CB 4.33Å; L181-I195 HydrophobicContact CD1-CG2 4.42Å; L181-I195 HydrophobicContact CD2-CG2 4.23Å; L181-I195 HydrophobicContact CG-CG2 4.41Å; L191-I195 HydrophobicContact CD1-CD1 3.75Å; L191-I195 HydrophobicContact CD1-CG1 4.17Å; L191-I195 HydrophobicContact CG-CD1 3.9Å; L191-I195 WeakPolarHBondContact O-CG1 3.18Å; L191-I195 PolarHBondContact O-N 3.46Å; A192-I195 PolarHBondContact O-N 3.5Å; I195-S197 PolarHBondContact O-N 2.71Å; I195-V198 WeakPolarHBondContact O-CB 3.43Å; I195-V198 PolarHBondContact O-N 3.22Å; I195-F199 HydrophobicContact CG2-CD2 4.07Å; I195-F199 HydrophobicContact CG2-CE2 3.93Å; I195-F199 WeakPolarHBondContact O-CD2 3.38Å; I195-F199 PolarHBondContact O-N 3.46Å
196V96.6Very high93.6Very high0 Ų025.4 Ų25.40%013%0.134CC..Hα-helixtrans-63.1-34.9176175.40000110.7L181 A192 T193 V198 F199 F200 I224 V279 L283L181-V196 HydrophobicContact CD1-CG2 3.93Å; L181-V196 HydrophobicContact CD2-CG2 3.95Å; A192-V196 WeakPolarHBondContact O-CB 3.35Å; A192-V196 WeakPolarHBondContact O-CG2 3.48Å; A192-V196 PolarHBondContact O-N 3.29Å; T193-V196 PolarHBondContact O-N 3.11Å; V196-V198 PolarHBondContact O-N 3.25Å; V196-F199 CarbonylContact O-C 3.59Å; V196-F199 PolarHBondContact O-N 2.94Å; V196-F200 WeakPolarHBondContact O-CB 3.4Å; V196-F200 PolarHBondContact O-N 3.4Å; V196-I224 HydrophobicContact CG2-CD1 4.33Å; V196-V279 HydrophobicContact CB-CG1 4.15Å; V196-V279 HydrophobicContact CG1-CB 4.48Å; V196-V279 HydrophobicContact CG1-CG1 3.8Å; V196-V279 HydrophobicContact CG1-CG2 4.21Å; V196-L283 HydrophobicContact CG1-CD1 4.08Å
197S94.4Very high93.5Very high7 Ų725.1 Ų25.15%0.04913%0.134CC..Hα-helixtrans-63.7-37.6175.5-55.10000112.7T193 T194 I195 F200 C201T193-S197 WeakPolarHBondContact O-CB 3.38Å; T193-S197 PolarHBondContact O-N 3.33Å; T193-S197 PolarHBondContact O-OG 3.04Å; T194-S197 WeakPolarHBondContact O-CB 3.34Å; T194-S197 PolarHBondContact O-N 3.15Å; I195-S197 PolarHBondContact O-N 2.71Å; S197-F200 PolarHBondContact O-N 2.86Å; S197-C201 PolarHBondContact O-N 3.38Å; S197-C201 VanDerWaalsContact O-N 3.12Å; S197-C201 PolarHBondContact O-SG 3.44Å; S197-C201 VanDerWaalsContact O-SG 3.36Å
198V94.6Very high93.7Very high0 Ų019.9 Ų19.90%011%0.11CC..Hα-helixtrans-57.2-52171.3178.50000110.2I154 F155 A158 L177 T194 I195 V196 F200 C201 F202I154-V198 HydrophobicContact CG2-CG1 4.21Å; I154-V198 HydrophobicContact CG2-CG2 4.32Å; F155-V198 HydrophobicContact CB-CG2 3.73Å; F155-V198 HydrophobicContact CD2-CG2 4.31Å; F155-V198 HydrophobicContact CG-CG2 4.49Å; A158-V198 HydrophobicContact CB-CG1 4.1Å; L177-V198 HydrophobicContact CD1-CB 4.41Å; L177-V198 HydrophobicContact CD1-CG1 3.9Å; L177-V198 HydrophobicContact CD1-CG2 4.4Å; T194-V198 PolarHBondContact O-N 2.99Å; T194-V198 VanDerWaalsContact O-N 3.09Å; I195-V198 WeakPolarHBondContact O-CB 3.43Å; I195-V198 PolarHBondContact O-N 3.22Å; V196-V198 PolarHBondContact O-N 3.25Å; V198-F200 VanDerWaalsContact C-N 3.28Å; V198-F200 PolarHBondContact O-N 3.29Å; V198-C201 WeakPolarHBondContact O-CB 3.35Å; V198-C201 PolarHBondContact O-N 2.88Å; V198-F202 HydrophobicContact CG1-CD2 4.39Å; V198-F202 HydrophobicContact CG1-CE2 4.11Å; V198-F202 WeakPolarHBondContact O-CD2 3.49Å; V198-F202 PolarHBondContact O-N 2.92Å
199F96.7Very high93.8Very high0 Ų020.3 Ų20.30%011%0.11CC..Hα-helixtrans-70.8-22.7-178.9-73.2-72.6000113.7L174 L177 A178 I195 V196 F202 S203 V212 I217 L283L174-F199 HydrophobicContact CD2-CE1 4.14Å; L174-F199 HydrophobicContact CD2-CZ 4.43Å; L177-F199 HydrophobicContact CB-CE2 3.99Å; L177-F199 HydrophobicContact CB-CZ 4.27Å; A178-F199 HydrophobicContact CB-CZ 4.31Å; I195-F199 HydrophobicContact CG2-CD2 4.07Å; I195-F199 HydrophobicContact CG2-CE2 3.93Å; I195-F199 WeakPolarHBondContact O-CD2 3.38Å; I195-F199 PolarHBondContact O-N 3.46Å; V196-F199 CarbonylContact O-C 3.59Å; V196-F199 PolarHBondContact O-N 2.94Å; F199-F202 PolarHBondContact O-N 3.46Å; F199-S203 PolarHBondContact O-N 2.72Å; F199-V212 HydrophobicContact CD1-CG2 4.49Å; F199-I217 HydrophobicContact CB-CG2 3.82Å; F199-I217 HydrophobicContact CD1-CD1 4.4Å; F199-I217 HydrophobicContact CD1-CG1 3.75Å; F199-I217 HydrophobicContact CD2-CD1 3.81Å; F199-I217 HydrophobicContact CD2-CG1 3.92Å; F199-I217 HydrophobicContact CD2-CG2 4.04Å; F199-I217 HydrophobicContact CE1-CD1 4.13Å; F199-I217 HydrophobicContact CE1-CG1 3.77Å; F199-I217 HydrophobicContact CE2-CD1 3.5Å; F199-I217 VanDerWaalsContact CE2-CD1 3.5Å; F199-I217 HydrophobicContact CE2-CG1 3.94Å; F199-I217 HydrophobicContact CG-CB 4.38Å; F199-I217 HydrophobicContact CG-CD1 4.26Å; F199-I217 HydrophobicContact CG-CG1 3.83Å; F199-I217 HydrophobicContact CG-CG2 3.9Å; F199-I217 HydrophobicContact CZ-CD1 3.67Å; F199-I217 HydrophobicContact CZ-CG1 3.86Å; F199-L283 HydrophobicContact CB-CD1 3.69Å
200F94.4Very high93.8Very high5 Ų523.8 Ų23.82%0.02214%0.135CC..Hα-helixtrans-67.5-38.9170.4167.3-112.5000111.8P113 F116 V196 S197 V198 F202 S203 S204 V279 Y282 L283P113-F200 HydrophobicContact CB-CE1 4.36Å; P113-F200 HydrophobicContact CG-CE1 4.32Å; F116-F200 HydrophobicContact CD2-CD1 4.46Å; F116-F200 AromaticContact CD2-CE1 3.78Å; F116-F200 HydrophobicContact CD2-CE1 3.78Å; F116-F200 HydrophobicContact CD2-CZ 4.47Å; F116-F200 AromaticContact CE2-CE1 3.87Å; F116-F200 HydrophobicContact CE2-CE1 3.87Å; F116-F200 HydrophobicContact CE2-CZ 4.23Å; V196-F200 WeakPolarHBondContact O-CB 3.4Å; V196-F200 PolarHBondContact O-N 3.4Å; S197-F200 PolarHBondContact O-N 2.86Å; V198-F200 VanDerWaalsContact C-N 3.28Å; V198-F200 PolarHBondContact O-N 3.29Å; F200-F202 VanDerWaalsContact C-N 3.27Å; F200-F202 PolarHBondContact O-N 3.27Å; F200-S203 PolarHBondContact O-N 2.83Å; F200-S203 PolarHBondContact O-OG 3.22Å; F200-S204 PolarHBondContact O-N 3.48Å; F200-S204 PolarHBondContact O-OG 3.41Å; F200-V279 HydrophobicContact CB-CG2 3.8Å; F200-V279 HydrophobicContact CD1-CG2 4.16Å; F200-V279 HydrophobicContact CG-CG2 4.03Å; F200-Y282 HydrophobicContact CE2-CG 4.3Å; F200-L283 HydrophobicContact CB-CB 4.36Å; F200-L283 HydrophobicContact CD2-CB 4.49Å
201C93.3Very high94Very high1 Ų122.9 Ų22.91%0.00713%0.13CC..Hα-helixtrans-57.3-43171.7-63.40000111.2A158 L164 S197 V198 S204A158-C201 HydrophobicContact CB-CB 4.04Å; A158-C201 VanDerWaalsContact O-CB 3.3Å; A158-C201 WeakPolarHBondContact O-CB 3.3Å; L164-C201 HydrophobicContact CD2-CB 4.14Å; S197-C201 PolarHBondContact O-N 3.38Å; S197-C201 VanDerWaalsContact O-N 3.12Å; S197-C201 PolarHBondContact O-SG 3.44Å; S197-C201 VanDerWaalsContact O-SG 3.36Å; V198-C201 WeakPolarHBondContact O-CB 3.35Å; V198-C201 PolarHBondContact O-N 2.88Å; C201-S204 WeakPolarHBondContact O-CB 3.35Å
202F94.3Very high94Very high0 Ų022.9 Ų22.90%013%0.13CC..Hα-helixtrans-64.6-47.7172.9-76.1-79.9000112.3L164 L167 M168 L174 V198 F199 F200 S204 F205 F208 L211 V212L164-F202 HydrophobicContact CB-CE1 4.19Å; L164-F202 HydrophobicContact CD2-CD1 4.13Å; L164-F202 HydrophobicContact CD2-CD2 4.2Å; L164-F202 HydrophobicContact CD2-CE1 3.97Å; L164-F202 HydrophobicContact CD2-CE2 4.03Å; L164-F202 HydrophobicContact CD2-CG 4.26Å; L164-F202 HydrophobicContact CD2-CZ 3.92Å; L164-F202 WeakPolarHBondContact O-CE1 3.37Å; L167-F202 HydrophobicContact CB-CZ 3.78Å; M168-F202 HydrophobicContact CB-CE1 4.22Å; L174-F202 HydrophobicContact CD1-CZ 4.44Å; L174-F202 HydrophobicContact CD2-CE2 3.71Å; L174-F202 HydrophobicContact CD2-CZ 3.97Å; V198-F202 HydrophobicContact CG1-CD2 4.39Å; V198-F202 HydrophobicContact CG1-CE2 4.11Å; V198-F202 WeakPolarHBondContact O-CD2 3.49Å; V198-F202 PolarHBondContact O-N 2.92Å; F199-F202 PolarHBondContact O-N 3.46Å; F200-F202 VanDerWaalsContact C-N 3.27Å; F200-F202 PolarHBondContact O-N 3.27Å; F202-S204 PolarHBondContact O-N 2.86Å; F202-S204 VanDerWaalsContact O-N 3.09Å; F202-F205 PolarHBondContact O-N 3.43Å; F202-F205 VanDerWaalsContact O-N 3.15Å; F202-F208 HydrophobicContact CB-CB 4.11Å; F202-F208 HydrophobicContact CD1-CB 4.08Å; F202-F208 HydrophobicContact CD1-CD1 4.21Å; F202-F208 HydrophobicContact CD1-CD2 4.06Å; F202-F208 AromaticContact CD1-CG 3.88Å; F202-F208 HydrophobicContact CD1-CG 3.88Å; F202-F208 WeakPolarHBondContact O-CB 3.48Å; F202-L211 HydrophobicContact CD1-CD2 3.73Å; F202-L211 HydrophobicContact CE1-CD2 3.86Å; F202-L211 HydrophobicContact CG-CD2 4.33Å; F202-V212 HydrophobicContact CB-CG2 3.97Å
203S94.3Very high93.9Very high1 Ų125.9 Ų25.91%0.00715%0.149CC..Hα-helixtrans-65.2-17.1-176800000113.8F199 F200 F205 H209 N286F199-S203 PolarHBondContact O-N 2.72Å; F200-S203 PolarHBondContact O-N 2.83Å; F200-S203 PolarHBondContact O-OG 3.22Å; S203-F205 PolarHBondContact O-N 3.36Å; S203-F205 VanDerWaalsContact O-N 3.14Å; S203-H209 PolarHBondContact O-CD2 3.29Å; S203-H209 PolarHBondContact O-NE2 3.21Å; S203-N286 WeakPolarHBondContact O-CB 3.28Å; S203-N286 PolarHBondContact O-ND2 3.39Å; S203-N286 PolarHBondContact OG-ND2 2.96Å; S203-N286 VanDerWaalsContact OG-ND2 3.17Å
204S90.1Very high93.9Very high41 Ų4131.4 Ų31.429%0.28717%0.174SC..THydrogen-bonded Turntrans-62.6-15.5175.2-60.90000113.4P113 F200 C201 F202P113-S204 WeakPolarHBondContact CG-OG 3.46Å; F200-S204 PolarHBondContact O-N 3.48Å; F200-S204 PolarHBondContact O-OG 3.41Å; C201-S204 WeakPolarHBondContact O-CB 3.35Å; F202-S204 PolarHBondContact O-N 2.86Å; F202-S204 VanDerWaalsContact O-N 3.09Å
205F91.5Very high94Very high78 Ų7832.1 Ų32.134%0.34218%0.176SC..SBendtrans-121.9125175.2-51-90.8000110.7P161 L164 F202 S203 Q207 F208 H209P161-F205 HydrophobicContact CB-CE2 4.44Å; P161-F205 HydrophobicContact CB-CZ 3.98Å; P161-F205 HydrophobicContact CG-CZ 4.26Å; L164-F205 HydrophobicContact CD1-CD2 3.82Å; L164-F205 HydrophobicContact CD1-CE2 3.5Å; L164-F205 VanDerWaalsContact CD1-CE2 3.5Å; F202-F205 PolarHBondContact O-N 3.43Å; F202-F205 VanDerWaalsContact O-N 3.15Å; S203-F205 PolarHBondContact O-N 3.36Å; S203-F205 VanDerWaalsContact O-N 3.14Å; F205-Q207 HydrophobicContact CB-CG 4.06Å; F205-Q207 PolarHBondContact O-N 2.9Å; F205-F208 HydrophobicContact CB-CD2 3.76Å; F205-F208 HydrophobicContact CB-CE2 4.1Å; F205-F208 HydrophobicContact CD2-CD2 4.06Å; F205-F208 HydrophobicContact CD2-CE2 4.05Å; F205-F208 HydrophobicContact CG-CD2 4.27Å; F205-F208 HydrophobicContact CG-CE2 4.26Å; F205-F208 PolarHBondContact O-N 3.23Å; F205-H209 PolarHBondContact O-CD2 3.46Å
206S91.5Very high94Very high65 Ų6538.5 Ų38.546%0.45520%0.204SC..G310 helixtrans-59-27-175.5-35.10000113.4F208 H209 E289S206-F208 PolarHBondContact O-N 3.39Å; S206-H209 WeakPolarHBondContact O-CB 3.31Å; S206-H209 PolarHBondContact O-N 2.9Å; S206-E289 PolarHBondContact OG-OE1 3.26Å; S206-E289 PolarHBondContact OG-OE2 3.47Å
207Q92.4Very high94Very high123 Ų12338.5 Ų38.558%0.57520%0.204SC*.G310 helixtrans-61.1-27174.969.8-166.629.500114F205F205-Q207 HydrophobicContact CB-CG 4.06Å; F205-Q207 PolarHBondContact O-N 2.9Å
208F94.3Very high94.1Very high7 Ų738.7 Ų38.73%0.03121%0.206CC..G310 helixtrans-97.51.4179.2-55.7-56.7000113.1L164 E165 M168 F202 F205 S206 S210 L211 V212L164-F208 HydrophobicContact CB-CE2 3.98Å; L164-F208 HydrophobicContact CB-CZ 4.08Å; L164-F208 HydrophobicContact CD1-CE2 4.15Å; E165-F208 HydrophobicContact CG-CZ 4.22Å; M168-F208 HydrophobicContact CB-CE1 4.47Å; M168-F208 HydrophobicContact CE-CE1 4.22Å; M168-F208 HydrophobicContact SD-CD1 3.66Å; M168-F208 HydrophobicContact SD-CE1 3.57Å; M168-F208 VanDerWaalsContact SD-CE1 3.57Å; F202-F208 HydrophobicContact CB-CB 4.11Å; F202-F208 HydrophobicContact CD1-CB 4.08Å; F202-F208 HydrophobicContact CD1-CD1 4.21Å; F202-F208 HydrophobicContact CD1-CD2 4.06Å; F202-F208 AromaticContact CD1-CG 3.88Å; F202-F208 HydrophobicContact CD1-CG 3.88Å; F202-F208 WeakPolarHBondContact O-CB 3.48Å; F205-F208 HydrophobicContact CB-CD2 3.76Å; F205-F208 HydrophobicContact CB-CE2 4.1Å; F205-F208 HydrophobicContact CD2-CD2 4.06Å; F205-F208 HydrophobicContact CD2-CE2 4.05Å; F205-F208 HydrophobicContact CG-CD2 4.27Å; F205-F208 HydrophobicContact CG-CE2 4.26Å; F205-F208 PolarHBondContact O-N 3.23Å; S206-F208 PolarHBondContact O-N 3.39Å; F208-S210 VanDerWaalsContact C-N 3.26Å; F208-S210 PolarHBondContact O-N 3.24Å; F208-L211 VanDerWaalsContact O-CB 3.28Å; F208-L211 WeakPolarHBondContact O-CB 3.43Å; F208-L211 PolarHBondContact O-N 2.99Å; F208-L211 VanDerWaalsContact O-N 3.11Å; F208-V212 WeakPolarHBondContact O-CG2 3.34Å; F208-V212 PolarHBondContact O-N 3.12Å; F208-V212 VanDerWaalsContact O-N 3.13Å
209H94.4Very high94.2Very high22 Ų2240.6 Ų40.610%0.10222%0.222CC..Hα-helixtrans-61.9-34.4179.9-71.5-175000112.7S203 F205 S206 L211 V212 T213 N286 L287 E289S203-H209 PolarHBondContact O-CD2 3.29Å; S203-H209 PolarHBondContact O-NE2 3.21Å; F205-H209 PolarHBondContact O-CD2 3.46Å; S206-H209 WeakPolarHBondContact O-CB 3.31Å; S206-H209 PolarHBondContact O-N 2.9Å; H209-L211 VanDerWaalsContact C-N 3.33Å; H209-L211 PolarHBondContact O-N 3.12Å; H209-V212 PolarHBondContact O-N 3.19Å; H209-T213 VanDerWaalsContact O-CB 3.32Å; H209-T213 WeakPolarHBondContact O-CB 3.38Å; H209-T213 PolarHBondContact O-N 3.18Å; H209-T213 PolarHBondContact O-OG1 3.4Å; H209-N286 PolarHBondContact CE1-O 3.4Å; H209-L287 HydrophobicContact CB-CD2 4.02Å; H209-E289 IonicContact CE1-OE2 3.69Å; H209-E289 PolarHBondContact CE1-OE2 2.87Å
210S93.3Very high94.2Very high90 Ų9041.5 Ų41.563%0.62923%0.227SC*.Hα-helixtrans-62.8-39.2175.259.40000111.9F208 T213 H214F208-S210 VanDerWaalsContact C-N 3.26Å; F208-S210 PolarHBondContact O-N 3.24Å; S210-T213 PolarHBondContact O-N 3.37Å; S210-H214 VanDerWaalsContact O-CB 3.26Å; S210-H214 WeakPolarHBondContact O-CB 3.47Å; S210-H214 PolarHBondContact O-N 2.9Å
211L94.4Very high94.4Very high17 Ų1741.2 Ų41.29%0.08923%0.226CC..Hα-helixtrans-64-50.5175.8-176.175.5000111.3M168 L174 F202 F208 H209 T213 H214 F215M168-L211 HydrophobicContact CB-CD2 4.39Å; M168-L211 HydrophobicContact CG-CD1 4.26Å; M168-L211 HydrophobicContact CG-CD2 3.94Å; L174-L211 HydrophobicContact CD1-CD1 3.94Å; L174-L211 HydrophobicContact CD1-CD2 3.7Å; L174-L211 HydrophobicContact CD1-CG 4.09Å; F202-L211 HydrophobicContact CD1-CD2 3.73Å; F202-L211 HydrophobicContact CE1-CD2 3.86Å; F202-L211 HydrophobicContact CG-CD2 4.33Å; F208-L211 VanDerWaalsContact O-CB 3.28Å; F208-L211 WeakPolarHBondContact O-CB 3.43Å; F208-L211 PolarHBondContact O-N 2.99Å; F208-L211 VanDerWaalsContact O-N 3.11Å; H209-L211 VanDerWaalsContact C-N 3.33Å; H209-L211 PolarHBondContact O-N 3.12Å; L211-T213 PolarHBondContact O-N 3.06Å; L211-H214 WeakPolarHBondContact O-CB 3.44Å; L211-H214 PolarHBondContact O-N 3.26Å; L211-H214 VanDerWaalsContact O-N 3.16Å; L211-F215 HydrophobicContact CD1-CD2 4.29Å; L211-F215 HydrophobicContact CD1-CE2 3.75Å; L211-F215 HydrophobicContact CG-CD2 4.38Å; L211-F215 HydrophobicContact CG-CE2 4.29Å; L211-F215 WeakPolarHBondContact O-CD2 3.45Å; L211-F215 PolarHBondContact O-N 2.85Å; L211-F215 VanDerWaalsContact O-N 3.17Å
212V94.6Very high94.6Very high0 Ų041.5 Ų41.50%023%0.227CC..Hα-helixtrans-60.3-38.6178.1-179.20000110.7F199 F202 F208 H209 K216 I217 L283 L287F199-V212 HydrophobicContact CD1-CG2 4.49Å; F202-V212 HydrophobicContact CB-CG2 3.97Å; F208-V212 WeakPolarHBondContact O-CG2 3.34Å; F208-V212 PolarHBondContact O-N 3.12Å; F208-V212 VanDerWaalsContact O-N 3.13Å; H209-V212 PolarHBondContact O-N 3.19Å; V212-K216 PolarHBondContact O-N 3.15Å; V212-I217 HydrophobicContact CG1-CB 3.77Å; V212-I217 HydrophobicContact CG1-CG1 4.44Å; V212-I217 HydrophobicContact CG1-CG2 4.18Å; V212-I217 PolarHBondContact O-N 3.43Å; V212-I217 VanDerWaalsContact O-N 3.07Å; V212-L283 HydrophobicContact CG1-CD2 4.16Å; V212-L287 HydrophobicContact CB-CD2 4.11Å; V212-L287 HydrophobicContact CG1-CD1 3.84Å; V212-L287 HydrophobicContact CG1-CD2 4.03Å; V212-L287 HydrophobicContact CG1-CG 4.38Å
213T93.3Very high94.8Very high64 Ų6444.9 Ų44.939%0.39325%0.245SC..Hα-helixtrans-70.7-39.5176.5-580000112.3H209 S210 L211 F215 K216H209-T213 VanDerWaalsContact O-CB 3.32Å; H209-T213 WeakPolarHBondContact O-CB 3.38Å; H209-T213 PolarHBondContact O-N 3.18Å; H209-T213 PolarHBondContact O-OG1 3.4Å; S210-T213 PolarHBondContact O-N 3.37Å; L211-T213 PolarHBondContact O-N 3.06Å; T213-F215 VanDerWaalsContact C-N 3.34Å; T213-F215 PolarHBondContact O-N 3.3Å; T213-K216 WeakPolarHBondContact O-CA 3.46Å; T213-K216 PolarHBondContact O-N 3.38Å
214H94.1Very high94.9Very high129 Ų12944.9 Ų44.960%0.59725%0.245SC*.Hα-helixtrans-56.8-46.4177.5172.5-104.2000111.4S210 L211 K216S210-H214 VanDerWaalsContact O-CB 3.26Å; S210-H214 WeakPolarHBondContact O-CB 3.47Å; S210-H214 PolarHBondContact O-N 2.9Å; L211-H214 WeakPolarHBondContact O-CB 3.44Å; L211-H214 PolarHBondContact O-N 3.26Å; L211-H214 VanDerWaalsContact O-N 3.16Å; H214-K216 PolarHBondContact O-N 3.46Å
215F95.6Very high95.3Very high25 Ų2542.9 Ų42.911%0.1123%0.231CC..THydrogen-bonded Turntrans-77.52.4175.8-70-71.7000114.3L174 A178 L211 T213 I217L174-F215 HydrophobicContact CB-CD2 4.28Å; L174-F215 HydrophobicContact CB-CE1 4.5Å; L174-F215 HydrophobicContact CB-CE2 3.7Å; L174-F215 HydrophobicContact CB-CZ 3.83Å; L174-F215 HydrophobicContact CD1-CE2 4.15Å; A178-F215 HydrophobicContact CB-CB 3.97Å; A178-F215 HydrophobicContact CB-CD1 3.96Å; A178-F215 HydrophobicContact CB-CG 4.24Å; L211-F215 HydrophobicContact CD1-CD2 4.29Å; L211-F215 HydrophobicContact CD1-CE2 3.75Å; L211-F215 HydrophobicContact CG-CD2 4.38Å; L211-F215 HydrophobicContact CG-CE2 4.29Å; L211-F215 WeakPolarHBondContact O-CD2 3.45Å; L211-F215 PolarHBondContact O-N 2.85Å; L211-F215 VanDerWaalsContact O-N 3.17Å; T213-F215 VanDerWaalsContact C-N 3.34Å; T213-F215 PolarHBondContact O-N 3.3Å; F215-I217 HydrophobicContact CB-CD1 4.08Å; F215-I217 HydrophobicContact CB-CG1 3.86Å; F215-I217 PolarHBondContact O-N 3.02Å
216K96.1Very high95.6Very high134 Ų13443.1 Ų43.158%0.58323%0.233SC*.THydrogen-bonded Turntrans59.327.5-179.5-56.1-179.8178.2178.30113.7V212 T213 H214 G218 A219 L220V212-K216 PolarHBondContact O-N 3.15Å; T213-K216 WeakPolarHBondContact O-CA 3.46Å; T213-K216 PolarHBondContact O-N 3.38Å; H214-K216 PolarHBondContact O-N 3.46Å; K216-G218 VanDerWaalsContact C-N 3.34Å; K216-G218 PolarHBondContact O-N 3.44Å; K216-A219 PolarHBondContact O-N 3.04Å; K216-A219 VanDerWaalsContact O-N 3.17Å; K216-L220 PolarHBondContact O-N 3.38Å; K216-L220 VanDerWaalsContact O-N 3.09Å
217I97.3Very high95.8Very high0 Ų042.9 Ų42.90%023%0.225CC..Hα-helixtrans-64.8-38.9-176-57.8-59.1000111.4A178 L181 F199 V212 F215 A219 L220 C221 L283A178-I217 HydrophobicContact CB-CD1 3.83Å; L181-I217 HydrophobicContact CD2-CD1 4.2Å; L181-I217 HydrophobicContact CD2-CG2 4.48Å; F199-I217 HydrophobicContact CB-CG2 3.82Å; F199-I217 HydrophobicContact CD1-CD1 4.4Å; F199-I217 HydrophobicContact CD1-CG1 3.75Å; F199-I217 HydrophobicContact CD2-CD1 3.81Å; F199-I217 HydrophobicContact CD2-CG1 3.92Å; F199-I217 HydrophobicContact CD2-CG2 4.04Å; F199-I217 HydrophobicContact CE1-CD1 4.13Å; F199-I217 HydrophobicContact CE1-CG1 3.77Å; F199-I217 HydrophobicContact CE2-CD1 3.5Å; F199-I217 VanDerWaalsContact CE2-CD1 3.5Å; F199-I217 HydrophobicContact CE2-CG1 3.94Å; F199-I217 HydrophobicContact CG-CB 4.38Å; F199-I217 HydrophobicContact CG-CD1 4.26Å; F199-I217 HydrophobicContact CG-CG1 3.83Å; F199-I217 HydrophobicContact CG-CG2 3.9Å; F199-I217 HydrophobicContact CZ-CD1 3.67Å; F199-I217 HydrophobicContact CZ-CG1 3.86Å; V212-I217 HydrophobicContact CG1-CB 3.77Å; V212-I217 HydrophobicContact CG1-CG1 4.44Å; V212-I217 HydrophobicContact CG1-CG2 4.18Å; V212-I217 PolarHBondContact O-N 3.43Å; V212-I217 VanDerWaalsContact O-N 3.07Å; F215-I217 HydrophobicContact CB-CD1 4.08Å; F215-I217 HydrophobicContact CB-CG1 3.86Å; F215-I217 PolarHBondContact O-N 3.02Å; I217-A219 VanDerWaalsContact C-N 3.32Å; I217-A219 PolarHBondContact O-N 2.92Å; I217-L220 HydrophobicContact CD1-CD1 4.24Å; I217-L220 WeakPolarHBondContact O-CB 3.38Å; I217-L220 PolarHBondContact O-N 3.48Å; I217-L220 VanDerWaalsContact O-N 3.14Å; I217-C221 PolarHBondContact O-N 3.4Å; I217-C221 PolarHBondContact O-SG 2.97Å; I217-L283 HydrophobicContact CG2-CD1 3.86Å; I217-L283 HydrophobicContact CG2-CD2 4.46Å
218G96.3Very high96Very high10 Ų1037.1 Ų37.110%0.10320%0.198CC..Hα-helixtrans-59-41.4174.500000112.8K216 L220 C221 M222 L284K216-G218 VanDerWaalsContact C-N 3.34Å; K216-G218 PolarHBondContact O-N 3.44Å; G218-L220 PolarHBondContact O-N 2.95Å; G218-C221 PolarHBondContact O-N 3.22Å; G218-M222 WeakPolarHBondContact O-CG 3.19Å; G218-M222 PolarHBondContact O-N 2.99Å; G218-L284 WeakPolarHBondContact O-CD2 3.49Å
219A96.6Very high96Very high41 Ų4137 Ų3734%0.33920%0.198SC..Hα-helixtrans-68-34.8176.400000112.6K216 I217 N223K216-A219 PolarHBondContact O-N 3.04Å; K216-A219 VanDerWaalsContact O-N 3.17Å; I217-A219 VanDerWaalsContact C-N 3.32Å; I217-A219 PolarHBondContact O-N 2.92Å; A219-N223 VanDerWaalsContact O-CG 3.28Å; A219-N223 PolarHBondContact O-N 3.26Å; A219-N223 PolarHBondContact O-ND2 3.44Å; A219-N223 PolarHBondContact O-OD1 3.24Å
220L97.4Very high96.1Very high18 Ų1841 Ų419%0.09422%0.215CC..Hα-helixtrans-66.1-44.2172.8-68174.2000111.2L181 R182 K216 I217 G218 M222 N223 I224L181-L220 HydrophobicContact CD2-CB 4.39Å; L181-L220 HydrophobicContact CD2-CD1 4.12Å; L181-L220 HydrophobicContact CG-CD1 4.31Å; R182-L220 HydrophobicContact CB-CD1 4.33Å; R182-L220 HydrophobicContact CB-CD2 4.35Å; R182-L220 HydrophobicContact CG-CD2 4.18Å; K216-L220 PolarHBondContact O-N 3.38Å; K216-L220 VanDerWaalsContact O-N 3.09Å; I217-L220 HydrophobicContact CD1-CD1 4.24Å; I217-L220 WeakPolarHBondContact O-CB 3.38Å; I217-L220 PolarHBondContact O-N 3.48Å; I217-L220 VanDerWaalsContact O-N 3.14Å; G218-L220 PolarHBondContact O-N 2.95Å; L220-M222 VanDerWaalsContact C-N 3.34Å; L220-M222 PolarHBondContact O-N 3.06Å; L220-N223 WeakPolarHBondContact O-CB 3.44Å; L220-N223 PolarHBondContact O-N 2.89Å; L220-N223 VanDerWaalsContact O-N 3.11Å; L220-I224 VanDerWaalsContact O-CG1 3.27Å; L220-I224 WeakPolarHBondContact O-CG1 3.29Å; L220-I224 PolarHBondContact O-N 2.93Å
221C98Very high96.1Very high0 Ų039.2 Ų39.20%019%0.194CC..Hα-helixtrans-59.4-43.3176.8-66.80000111.7I217 G218 N223 I224 V225 L284I217-C221 PolarHBondContact O-N 3.4Å; I217-C221 PolarHBondContact O-SG 2.97Å; G218-C221 PolarHBondContact O-N 3.22Å; C221-N223 VanDerWaalsContact C-N 3.33Å; C221-N223 PolarHBondContact O-N 3.14Å; C221-I224 PolarHBondContact O-N 2.97Å; C221-V225 VanDerWaalsContact O-CG2 3.3Å; C221-V225 WeakPolarHBondContact O-CG2 3.49Å; C221-V225 PolarHBondContact O-N 2.83Å; C221-L284 HydrophobicContact CB-CD1 4.08Å; C221-L284 HydrophobicContact CB-CD2 3.96Å; C221-L284 HydrophobicContact CB-CG 3.93Å
222M97.9Very high96Very high7 Ų739.1 Ų39.13%0.03419%0.193CC..Hα-helixtrans-54.8-47.9172.7-72.6-63.3-62.500112G218 L220 I224 V225 E226 L284 M297 K300 I302 M305G218-M222 WeakPolarHBondContact O-CG 3.19Å; G218-M222 PolarHBondContact O-N 2.99Å; L220-M222 VanDerWaalsContact C-N 3.34Å; L220-M222 PolarHBondContact O-N 3.06Å; M222-I224 PolarHBondContact O-N 3.18Å; M222-V225 PolarHBondContact O-N 3.47Å; M222-E226 WeakPolarHBondContact O-CB 3.4Å; M222-E226 PolarHBondContact O-N 3.49Å; M222-L284 HydrophobicContact CG-CD1 4.35Å; M222-L284 HydrophobicContact CG-CD2 4.02Å; M222-L284 HydrophobicContact SD-CD1 3.76Å; M222-L284 HydrophobicContact SD-CD2 4.14Å; M222-M297 HydrophobicContact SD-CB 4.37Å; M222-M297 HydrophobicContact SD-CG 4.29Å; M222-K300 HydrophobicContact CE-CB 3.78Å; M222-I302 HydrophobicContact CE-CB 3.79Å; M222-I302 HydrophobicContact CE-CD1 4Å; M222-I302 HydrophobicContact CE-CG1 4.32Å; M222-I302 HydrophobicContact SD-CB 4.3Å; M222-I302 HydrophobicContact SD-CD1 3.75Å; M222-I302 HydrophobicContact SD-CG1 4.25Å; M222-M305 HydrophobicContact CE-SD 4.05Å
223N97.4Very high95.9Very high70 Ų7042.9 Ų42.937%0.37421%0.211SC..Hα-helixtrans-66.8-37.2179.9-63.4-13.2000112.3A219 L220 C221 H227A219-N223 VanDerWaalsContact O-CG 3.28Å; A219-N223 PolarHBondContact O-N 3.26Å; A219-N223 PolarHBondContact O-ND2 3.44Å; A219-N223 PolarHBondContact O-OD1 3.24Å; L220-N223 WeakPolarHBondContact O-CB 3.44Å; L220-N223 PolarHBondContact O-N 2.89Å; L220-N223 VanDerWaalsContact O-N 3.11Å; C221-N223 VanDerWaalsContact C-N 3.33Å; C221-N223 PolarHBondContact O-N 3.14Å; N223-H227 VanDerWaalsContact O-CB 3.32Å; N223-H227 WeakPolarHBondContact O-CB 3.49Å; N223-H227 PolarHBondContact O-N 3.26Å
224I97.5Very high95.8Very high1 Ų144.9 Ų44.91%0.00522%0.218CC..Hα-helixtrans-62.4-51.9176.3-70.4164.7000109.6L181 W185 V196 L220 C221 M222 E226 H227 E228 L276L181-I224 HydrophobicContact CD1-CD1 3.91Å; L181-I224 HydrophobicContact CG-CD1 4.35Å; W185-I224 HydrophobicContact CB-CD1 4.43Å; W185-I224 HydrophobicContact CD2-CD1 4.47Å; W185-I224 HydrophobicContact CD2-CG1 3.72Å; W185-I224 HydrophobicContact CE3-CB 4.32Å; W185-I224 HydrophobicContact CE3-CG1 3.62Å; W185-I224 HydrophobicContact CE3-CG2 4.39Å; W185-I224 HydrophobicContact CG-CD1 4.46Å; W185-I224 HydrophobicContact CG-CG1 4.19Å; W185-I224 HydrophobicContact CH2-CG1 4.4Å; W185-I224 HydrophobicContact CZ3-CB 4.3Å; W185-I224 HydrophobicContact CZ3-CG1 3.98Å; W185-I224 HydrophobicContact CZ3-CG2 4.46Å; V196-I224 HydrophobicContact CG2-CD1 4.33Å; L220-I224 VanDerWaalsContact O-CG1 3.27Å; L220-I224 WeakPolarHBondContact O-CG1 3.29Å; L220-I224 PolarHBondContact O-N 2.93Å; C221-I224 PolarHBondContact O-N 2.97Å; M222-I224 PolarHBondContact O-N 3.18Å; I224-E226 VanDerWaalsContact C-N 3.32Å; I224-E226 PolarHBondContact O-N 2.94Å; I224-H227 PolarHBondContact O-N 2.77Å; I224-E228 HydrophobicContact CG2-CG 4.3Å; I224-E228 WeakPolarHBondContact O-CB 3.21Å; I224-E228 WeakPolarHBondContact O-CG 3.43Å; I224-E228 PolarHBondContact O-N 3.05Å; I224-L276 HydrophobicContact CG2-CD1 4.17Å; I224-L276 HydrophobicContact CG2-CD2 3.72Å; I224-L276 HydrophobicContact CG2-CG 3.96Å
225V97.9Very high95.7Very high0 Ų040.4 Ų40.40%020%0.196CC..Hα-helixtrans-59.2-45.1179.5177.20000110.4C221 M222 H227 E228 L229 L277 L281 L284 M305C221-V225 VanDerWaalsContact O-CG2 3.3Å; C221-V225 WeakPolarHBondContact O-CG2 3.49Å; C221-V225 PolarHBondContact O-N 2.83Å; M222-V225 PolarHBondContact O-N 3.47Å; V225-H227 VanDerWaalsContact C-N 3.34Å; V225-H227 PolarHBondContact O-N 2.94Å; V225-E228 PolarHBondContact O-N 3.37Å; V225-L229 HydrophobicContact CG1-CD1 4.17Å; V225-L229 HydrophobicContact CG1-CG 4.46Å; V225-L229 WeakPolarHBondContact O-CB 3.41Å; V225-L229 VanDerWaalsContact O-CG 3.27Å; V225-L229 WeakPolarHBondContact O-CG 3.5Å; V225-L229 PolarHBondContact O-N 2.9Å; V225-L277 HydrophobicContact CB-CD2 4.19Å; V225-L277 HydrophobicContact CG1-CD2 3.89Å; V225-L277 HydrophobicContact CG2-CD2 4.08Å; V225-L281 HydrophobicContact CG1-CD2 4.34Å; V225-L281 HydrophobicContact CG2-CD2 4.27Å; V225-L284 HydrophobicContact CG2-CD1 4.5Å; V225-M305 HydrophobicContact CB-CE 3.5Å; V225-M305 VanDerWaalsContact CB-CE 3.5Å; V225-M305 HydrophobicContact CG1-CE 3.27Å
226E97.2Very high95.3Very high83 Ų8343.4 Ų43.439%0.38821%0.21SC..Hα-helixtrans-61.2-44179.8-168.3-166.4173.600111.7M222 I224 K230 M305M222-E226 WeakPolarHBondContact O-CB 3.4Å; M222-E226 PolarHBondContact O-N 3.49Å; I224-E226 VanDerWaalsContact C-N 3.32Å; I224-E226 PolarHBondContact O-N 2.94Å; E226-K230 WeakPolarHBondContact O-CG 3.38Å; E226-K230 PolarHBondContact O-N 2.96Å; E226-K230 WeakPolarHBondContact OE1-CE 3.44Å; E226-K230 IonicContact OE1-NZ 3.79Å; E226-K230 PolarHBondContact OE1-NZ 3.24Å; E226-M305 HydrophobicContact CB-CE 3.76Å; E226-M305 HydrophobicContact CB-SD 4.18Å; E226-M305 HydrophobicContact CG-SD 4.48Å
227H96.5Very high94.9Very high59 Ų5941.4 Ų41.427%0.27321%0.206SC..Hα-helixtrans-67.6-43.8178.6177.7-88000112.7W185 N223 I224 V225 L229 K230 R231W185-H227 HydrophobicContact CH2-CB 3.4Å; W185-H227 VanDerWaalsContact CH2-CB 3.4Å; W185-H227 AromaticContact CH2-CD2 3.96Å; W185-H227 AromaticContact CH2-CG 3.46Å; W185-H227 VanDerWaalsContact CH2-CG 3.46Å; W185-H227 AromaticContact CH2-ND1 3.81Å; W185-H227 HydrophobicContact CZ3-CB 3.79Å; W185-H227 AromaticContact CZ3-CG 3.68Å; W185-H227 AromaticContact CZ3-ND1 3.54Å; N223-H227 VanDerWaalsContact O-CB 3.32Å; N223-H227 WeakPolarHBondContact O-CB 3.49Å; N223-H227 PolarHBondContact O-N 3.26Å; I224-H227 PolarHBondContact O-N 2.77Å; V225-H227 VanDerWaalsContact C-N 3.34Å; V225-H227 PolarHBondContact O-N 2.94Å; H227-L229 VanDerWaalsContact C-N 3.29Å; H227-L229 PolarHBondContact O-N 3.29Å; H227-K230 PolarHBondContact O-N 2.81Å; H227-R231 WeakPolarHBondContact O-CB 3.3Å; H227-R231 PolarHBondContact O-N 3.06Å
228E95.8Very high94.4Very high2 Ų246.7 Ų46.71%0.00923%0.231CC..Hα-helixtrans-65-34.8178.9-73.5-52.6126.300112I224 V225 R231 F232 Q273 L276 L277I224-E228 HydrophobicContact CG2-CG 4.3Å; I224-E228 WeakPolarHBondContact O-CB 3.21Å; I224-E228 WeakPolarHBondContact O-CG 3.43Å; I224-E228 PolarHBondContact O-N 3.05Å; V225-E228 PolarHBondContact O-N 3.37Å; E228-R231 PolarHBondContact O-N 3.08Å; E228-R231 IonicContact OE1-CZ 3.17Å; E228-R231 IonicContact OE1-NE 2.76Å; E228-R231 PolarHBondContact OE1-NE 3.45Å; E228-R231 IonicContact OE1-NH2 2.85Å; E228-R231 PolarHBondContact OE1-NH2 3.43Å; E228-R231 IonicContact OE2-CZ 2.69Å; E228-R231 IonicContact OE2-NE 3.69Å; E228-R231 PolarHBondContact OE2-NE 2.99Å; E228-R231 IonicContact OE2-NH2 3.6Å; E228-R231 PolarHBondContact OE2-NH2 2.91Å; E228-F232 WeakPolarHBondContact O-CB 3.39Å; E228-F232 PolarHBondContact O-N 3.15Å; E228-Q273 HydrophobicContact CB-CG 4.19Å; E228-Q273 PolarHBondContact O-NE2 3.26Å; E228-Q273 PolarHBondContact OE2-NE2 3.47Å; E228-L276 HydrophobicContact CG-CD2 4.05Å; E228-L277 HydrophobicContact CB-CD2 4.02Å
229L95.3Very high93.9Very high5 Ų548.1 Ų48.13%0.02624%0.236CC..Hα-helixtrans-61.6-45170.8-74.7177.6000112.3V225 H227 F232 E233 M305 K308 L309V225-L229 HydrophobicContact CG1-CD1 4.17Å; V225-L229 HydrophobicContact CG1-CG 4.46Å; V225-L229 WeakPolarHBondContact O-CB 3.41Å; V225-L229 VanDerWaalsContact O-CG 3.27Å; V225-L229 WeakPolarHBondContact O-CG 3.5Å; V225-L229 PolarHBondContact O-N 2.9Å; H227-L229 VanDerWaalsContact C-N 3.29Å; H227-L229 PolarHBondContact O-N 3.29Å; L229-F232 PolarHBondContact O-N 2.91Å; L229-E233 PolarHBondContact O-N 3.16Å; L229-M305 HydrophobicContact CD1-CB 3.81Å; L229-M305 HydrophobicContact CD1-CE 4.36Å; L229-M305 HydrophobicContact CD1-CG 4.09Å; L229-K308 HydrophobicContact CD1-CD 4.42Å; L229-L309 HydrophobicContact CD2-CD2 3.49Å; L229-L309 VanDerWaalsContact CD2-CD2 3.49Å; L229-L309 HydrophobicContact CD2-CG 3.92Å
230K95Very high93.3Very high106 Ų10650.6 Ų50.646%0.46124%0.241SC..Hα-helixtrans-66-38.5175.4-69.2173.5-173.1168.60111.8E226 H227 F232 E233 L234E226-K230 WeakPolarHBondContact O-CG 3.38Å; E226-K230 PolarHBondContact O-N 2.96Å; E226-K230 WeakPolarHBondContact OE1-CE 3.44Å; E226-K230 IonicContact OE1-NZ 3.79Å; E226-K230 PolarHBondContact OE1-NZ 3.24Å; H227-K230 PolarHBondContact O-N 2.81Å; K230-F232 VanDerWaalsContact C-N 3.3Å; K230-F232 PolarHBondContact O-N 3.35Å; K230-E233 PolarHBondContact O-N 3.07Å; K230-L234 PolarHBondContact O-N 3.26Å
231R93.3Very high92.7Very high52 Ų5256.9 Ų56.920%0.19627%0.267CS..Hα-helixtrans-64.3-36.6178.4-170.4168.175.4145.32.5111.9H227 E228 L234 W235H227-R231 WeakPolarHBondContact O-CB 3.3Å; H227-R231 PolarHBondContact O-N 3.06Å; E228-R231 PolarHBondContact O-N 3.08Å; E228-R231 IonicContact OE1-CZ 3.17Å; E228-R231 IonicContact OE1-NE 2.76Å; E228-R231 PolarHBondContact OE1-NE 3.45Å; E228-R231 IonicContact OE1-NH2 2.85Å; E228-R231 PolarHBondContact OE1-NH2 3.43Å; E228-R231 IonicContact OE2-CZ 2.69Å; E228-R231 IonicContact OE2-NE 3.69Å; E228-R231 PolarHBondContact OE2-NE 2.99Å; E228-R231 IonicContact OE2-NH2 3.6Å; E228-R231 PolarHBondContact OE2-NH2 2.91Å; R231-L234 PolarHBondContact O-N 3.33Å; R231-W235 HydrophobicContact CG-CD2 4.22Å; R231-W235 HydrophobicContact CG-CH2 4.34Å; R231-W235 HydrophobicContact CG-CZ2 3.78Å; R231-W235 VanDerWaalsContact NE-CZ2 3.3Å; R231-W235 VanDerWaalsContact NH2-CH2 3.26Å; R231-W235 PolarHBondContact O-N 3.44Å; R231-W235 VanDerWaalsContact O-N 3.07Å
232F93.1Very high91.6Very high16 Ų1661.4 Ų61.47%0.0729%0.287CS..Hα-helixtrans-63.3-42.9175.2175.2-105.3000113.1E228 L229 K230 L234 W235 Q236 Y266 L270 R312E228-F232 WeakPolarHBondContact O-CB 3.39Å; E228-F232 PolarHBondContact O-N 3.15Å; L229-F232 PolarHBondContact O-N 2.91Å; K230-F232 VanDerWaalsContact C-N 3.3Å; K230-F232 PolarHBondContact O-N 3.35Å; F232-L234 VanDerWaalsContact C-N 3.32Å; F232-L234 PolarHBondContact O-N 3.39Å; F232-W235 PolarHBondContact O-N 3.43Å; F232-W235 VanDerWaalsContact O-N 3.16Å; F232-Q236 HydrophobicContact CD1-CG 4.32Å; F232-Q236 HydrophobicContact CE1-CG 4.02Å; F232-Q236 HydrophobicContact CE2-CG 4.28Å; F232-Q236 HydrophobicContact CZ-CG 4.02Å; F232-Q236 PolarHBondContact O-N 2.64Å; F232-Y266 WeakPolarHBondContact CE2-OH 3.45Å; F232-L270 HydrophobicContact CD2-CD1 3.8Å; F232-L270 HydrophobicContact CE2-CD1 3.6Å; F232-R312 VanDerWaalsContact CD2-CZ 3.41Å
233E92.1Very high90.4Very high78 Ų7866.2 Ų66.236%0.36431%0.308SS..Hα-helixtrans-59.4-45.2176.3-68.1175.7137.400111.3L229 K230 W235 Q236 D237 K308L229-E233 PolarHBondContact O-N 3.16Å; K230-E233 PolarHBondContact O-N 3.07Å; E233-W235 VanDerWaalsContact C-N 3.29Å; E233-W235 PolarHBondContact O-N 2.95Å; E233-Q236 PolarHBondContact O-N 2.7Å; E233-Q236 VanDerWaalsContact O-N 3.15Å; E233-D237 PolarHBondContact O-N 3.36Å; E233-K308 WeakPolarHBondContact OE1-CE 3.5Å; E233-K308 IonicContact OE1-NZ 3.31Å; E233-K308 PolarHBondContact OE1-NZ 3.45Å; E233-K308 IonicContact OE2-NZ 2.88Å; E233-K308 PolarHBondContact OE2-NZ 3.43Å
234L91.7Very high89.2Confident106 Ų10666.5 Ų66.556%0.55531%0.309SS*.Hα-helixtrans-59.4-41.3175.8-67.1172.6000112K230 R231 F232 D237 E238K230-L234 PolarHBondContact O-N 3.26Å; R231-L234 PolarHBondContact O-N 3.33Å; F232-L234 VanDerWaalsContact C-N 3.32Å; F232-L234 PolarHBondContact O-N 3.39Å; L234-D237 PolarHBondContact O-N 2.97Å; L234-E238 WeakPolarHBondContact O-CG 3.41Å; L234-E238 PolarHBondContact O-N 3.06Å
235W90.8Very high87.7Confident36 Ų3668.6 Ų68.614%0.13632%0.324CS..Hα-helixtrans-66.5-37.7176.5-67.6-22.3000112.9R231 F232 E233 L239 Y266 L269 Q273R231-W235 HydrophobicContact CG-CD2 4.22Å; R231-W235 HydrophobicContact CG-CH2 4.34Å; R231-W235 HydrophobicContact CG-CZ2 3.78Å; R231-W235 VanDerWaalsContact NE-CZ2 3.3Å; R231-W235 VanDerWaalsContact NH2-CH2 3.26Å; R231-W235 PolarHBondContact O-N 3.44Å; R231-W235 VanDerWaalsContact O-N 3.07Å; F232-W235 PolarHBondContact O-N 3.43Å; F232-W235 VanDerWaalsContact O-N 3.16Å; E233-W235 VanDerWaalsContact C-N 3.29Å; E233-W235 PolarHBondContact O-N 2.95Å; W235-L239 WeakPolarHBondContact O-CB 3.47Å; W235-L239 PolarHBondContact O-N 3.07Å; W235-Y266 HydrophobicContact CB-CD2 3.75Å; W235-Y266 HydrophobicContact CB-CE2 3.49Å; W235-Y266 VanDerWaalsContact CB-CE2 3.49Å; W235-Y266 HydrophobicContact CD2-CD2 4.49Å; W235-Y266 HydrophobicContact CD2-CE2 4.47Å; W235-Y266 HydrophobicContact CE3-CD2 4.38Å; W235-Y266 HydrophobicContact CE3-CE2 4.12Å; W235-Y266 HydrophobicContact CG-CD2 4.3Å; W235-Y266 HydrophobicContact CG-CE2 4.31Å; W235-L269 HydrophobicContact CH2-CB 3.76Å; W235-L269 HydrophobicContact CZ2-CB 4.14Å; W235-L269 HydrophobicContact CZ2-CD1 4.07Å; W235-L269 HydrophobicContact CZ3-CB 4.11Å; W235-Q273 HydrophobicContact CZ3-CB 4.27Å
236Q88.1Confident85.8Confident87 Ų8769.3 Ų69.341%0.40733%0.328SS..Hα-helixtrans-64.1-44.6174.2-74.1-170-2900111.4F232 E233 E238 L239 Q240F232-Q236 HydrophobicContact CD1-CG 4.32Å; F232-Q236 HydrophobicContact CE1-CG 4.02Å; F232-Q236 HydrophobicContact CE2-CG 4.28Å; F232-Q236 HydrophobicContact CZ-CG 4.02Å; F232-Q236 PolarHBondContact O-N 2.64Å; E233-Q236 PolarHBondContact O-N 2.7Å; E233-Q236 VanDerWaalsContact O-N 3.15Å; Q236-E238 PolarHBondContact O-N 2.95Å; Q236-L239 PolarHBondContact O-N 3.28Å; Q236-Q240 WeakPolarHBondContact O-CB 3.39Å; Q236-Q240 PolarHBondContact O-N 2.88Å
237D88.5Confident84.1Confident92 Ų9271.3 Ų71.349%0.49234%0.342SS..Hα-helixtrans-61.2-42.1176.8-75.7-12.1000112.2E233 L234 K241E233-D237 PolarHBondContact O-N 3.36Å; L234-D237 PolarHBondContact O-N 2.97Å; D237-K241 VanDerWaalsContact O-CG 3.3Å; D237-K241 WeakPolarHBondContact O-CG 3.36Å; D237-K241 PolarHBondContact O-N 3.34Å; D237-K241 VanDerWaalsContact O-N 3.08Å
238E87.1Confident82.5Confident112 Ų11275.3 Ų75.352%0.52336%0.361SS..Hα-helixtrans-65.3-39.8175.5-76.8-176.9-173.700112.4L234 Q236 K242L234-E238 WeakPolarHBondContact O-CG 3.41Å; L234-E238 PolarHBondContact O-N 3.06Å; Q236-E238 PolarHBondContact O-N 2.95Å; E238-K242 WeakPolarHBondContact O-CG 3.36Å; E238-K242 PolarHBondContact O-N 2.83Å
239L84.9Confident81.1Confident39 Ų3981.2 Ų81.220%0.20439%0.386CS..Hα-helixtrans-66.8-42.8177.6-162.983000110.7W235 Q236 K242 K243 L263 Y266W235-L239 WeakPolarHBondContact O-CB 3.47Å; W235-L239 PolarHBondContact O-N 3.07Å; Q236-L239 PolarHBondContact O-N 3.28Å; L239-K242 CarbonylContact O-C 3.57Å; L239-K242 PolarHBondContact O-N 2.97Å; L239-K243 PolarHBondContact O-N 2.86Å; L239-L263 HydrophobicContact CD1-CD1 3.99Å; L239-L263 HydrophobicContact CD2-CD1 3.94Å; L239-Y266 HydrophobicContact CD1-CD1 4.5Å; L239-Y266 HydrophobicContact CD1-CG 4.41Å; L239-Y266 HydrophobicContact CD2-CD1 4.25Å; L239-Y266 HydrophobicContact CD2-CE1 4.31Å
240Q84.8Confident79.5Confident94 Ų9484.4 Ų84.444%0.43941%0.407SS..Hα-helixtrans-63.5-47.3179.1-172.558.940.500111.6Q236 K242 K243 D244Q236-Q240 WeakPolarHBondContact O-CB 3.39Å; Q236-Q240 PolarHBondContact O-N 2.88Å; Q240-K242 PolarHBondContact O-N 2.81Å; Q240-K243 WeakPolarHBondContact O-CB 3.26Å; Q240-K243 PolarHBondContact O-N 3.37Å; Q240-D244 PolarHBondContact NE2-OD1 3.07Å; Q240-D244 PolarHBondContact O-N 3.34Å; Q240-D244 VanDerWaalsContact O-N 3.16Å
241K83.7Confident78.1Confident150 Ų15087 Ų8765%0.65243%0.426SS*.Hα-helixtrans-57.1-35.7174.8-72.3169.4-173.9168.80112.8D237D237-K241 VanDerWaalsContact O-CG 3.3Å; D237-K241 WeakPolarHBondContact O-CG 3.36Å; D237-K241 PolarHBondContact O-N 3.34Å; D237-K241 VanDerWaalsContact O-N 3.08Å
242K75.1Confident77Confident94 Ų9487.6 Ų87.641%0.40943%0.433SS..Hα-helixtrans-79.1-17.7176.8-75.2-179.7178.6176.50113.6E238 L239 Q240 S245 P246 H259 S262E238-K242 WeakPolarHBondContact O-CG 3.36Å; E238-K242 PolarHBondContact O-N 2.83Å; L239-K242 CarbonylContact O-C 3.57Å; L239-K242 PolarHBondContact O-N 2.97Å; Q240-K242 PolarHBondContact O-N 2.81Å; K242-S245 PolarHBondContact O-OG 3.06Å; K242-S245 VanDerWaalsContact O-OG 3.09Å; K242-P246 WeakPolarHBondContact O-CD 3.24Å; K242-P246 WeakPolarHBondContact O-CG 3.4Å; K242-H259 PolarHBondContact O-CD2 3.44Å; K242-S262 PolarHBondContact NZ-OG 3.49Å
243K73Confident76Confident109 Ų10993.7 Ų93.747%0.47446%0.462SS..Hα-helixtrans-80.2-34.9175-173.8-179.1173.6-174.30112.1L239 Q240 S245 P246L239-K243 PolarHBondContact O-N 2.86Å; Q240-K243 WeakPolarHBondContact O-CB 3.26Å; Q240-K243 PolarHBondContact O-N 3.37Å; K243-S245 VanDerWaalsContact C-N 3.3Å; K243-S245 PolarHBondContact O-N 3.28Å; K243-P246 VanDerWaalsContact O-CD 3.26Å; K243-P246 WeakPolarHBondContact O-CD 3.42Å
244D72Confident75.3Confident76 Ų7693.1 Ų93.141%0.40647%0.466SS..Hα-helixtrans-68.7-29.4-179.8-57.7-26.3000112.2Q240 D247 E248Q240-D244 PolarHBondContact NE2-OD1 3.07Å; Q240-D244 PolarHBondContact O-N 3.34Å; Q240-D244 VanDerWaalsContact O-N 3.16Å; D244-D247 PolarHBondContact O-N 2.99Å; D244-E248 PolarHBondContact O-N 2.88Å
245S65.7Low74.3Confident44 Ų4490.5 Ų90.531%0.30845%0.453SS..Hα-helixtrans-69.7-38.4-179.547.10000116K242 K243K242-S245 PolarHBondContact O-OG 3.06Å; K242-S245 VanDerWaalsContact O-OG 3.09Å; K243-S245 VanDerWaalsContact C-N 3.3Å; K243-S245 PolarHBondContact O-N 3.28Å
246P58.9Low73.5Confident16 Ų1695.2 Ų95.210%0.10447%0.471CS..Hα-helixtrans-62.8-33.3167.9-25.528.1000114.9K242 K243 F249 H259K242-P246 WeakPolarHBondContact O-CD 3.24Å; K242-P246 WeakPolarHBondContact O-CG 3.4Å; K243-P246 VanDerWaalsContact O-CD 3.26Å; K243-P246 WeakPolarHBondContact O-CD 3.42Å; P246-F249 CarbonylContact O-C 3.58Å; P246-F249 VanDerWaalsContact O-C 3.29Å; P246-F249 PolarHBondContact O-N 3.48Å; P246-H259 HydrophobicContact CG-CB 4.27Å
247D61.8Low73.2Confident124 Ų12497.8 Ų97.866%0.66348%0.481SS*.Hα-helixtrans-73.5-31.3-178.1-78.5-14.9000111.9D244 F249D244-D247 PolarHBondContact O-N 2.99Å; D247-F249 VanDerWaalsContact C-N 3.33Å
248E62.3Low72.8Confident144 Ų14498 Ų9867%0.67348%0.482SS*.Hα-helixtrans-71.6-24.1172.4-71.6-175.3164.100113.5D244D244-E248 PolarHBondContact O-N 2.88Å
249F66.4Low72.5Confident126 Ų12694.2 Ų94.255%0.55346%0.464SS*.  trans-134.471.4-176.9-60.8-79.8000112.3P246 D247 D251 N252 L255P246-F249 CarbonylContact O-C 3.58Å; P246-F249 VanDerWaalsContact O-C 3.29Å; P246-F249 PolarHBondContact O-N 3.48Å; D247-F249 VanDerWaalsContact C-N 3.33Å; F249-D251 VanDerWaalsContact C-N 3.27Å; F249-D251 PolarHBondContact O-N 3.28Å; F249-D251 VanDerWaalsContact O-N 3.11Å; F249-N252 HydrophobicContact CB-CB 4.39Å; F249-N252 PolarHBondContact O-N 3.35Å; F249-N252 VanDerWaalsContact O-N 3.15Å; F249-L255 HydrophobicContact CB-CD1 4.28Å
250P61.6Low72.4Confident72 Ų7296 Ų9647%0.46847%0.473SS..THydrogen-bonded Turntrans-63-25.2-167.520.1-31.4000115.1R256P250-R256 PolarHBondContact O-NE 3.05Å; P250-R256 PolarHBondContact O-NH2 3.1Å
251D64.3Low72.5Confident160 Ų16098.7 Ų98.786%0.85648%0.484SS*.THydrogen-bonded Turntrans-86.1-4.4-178.2-71.1-34.7000114.2F249 Q253F249-D251 VanDerWaalsContact C-N 3.27Å; F249-D251 PolarHBondContact O-N 3.28Å; F249-D251 VanDerWaalsContact O-N 3.11Å; D251-Q253 PolarHBondContact O-N 3.4Å
252N70.5Confident72.5Confident64 Ų6493 Ų9334%0.34246%0.463SS..  trans-87.493.4-175-164.6-14.1000112.7F249 S254 L255 R256F249-N252 HydrophobicContact CB-CB 4.39Å; F249-N252 PolarHBondContact O-N 3.35Å; F249-N252 VanDerWaalsContact O-N 3.15Å; N252-S254 PolarHBondContact O-N 3.45Å; N252-S254 PolarHBondContact OD1-N 3.38Å; N252-S254 PolarHBondContact OD1-OG 3.35Å; N252-L255 HydrophobicContact CB-CB 4.39Å; N252-L255 HydrophobicContact CB-CD1 3.93Å; N252-L255 HydrophobicContact CB-CG 4.24Å; N252-L255 WeakPolarHBondContact ND2-CD1 3.44Å; N252-L255 PolarHBondContact O-N 3.09Å; N252-R256 PolarHBondContact O-N 3.48Å
253Q73.3Confident73Confident145 Ų14591.1 Ų91.168%0.67846%0.457SS*.Hα-helixtrans-60.8-23.5179.3-70.5-175.312.300114.5D251 K257D251-Q253 PolarHBondContact O-N 3.4Å; Q253-K257 WeakPolarHBondContact O-CG 3.27Å; Q253-K257 PolarHBondContact O-N 3.17Å
254S76.2Confident73.7Confident65 Ų6594 Ų9446%0.45547%0.465SS..Hα-helixtrans-74.2-41.7178.773.90000111.6N252 R256 K257 D258N252-S254 PolarHBondContact O-N 3.45Å; N252-S254 PolarHBondContact OD1-N 3.38Å; N252-S254 PolarHBondContact OD1-OG 3.35Å; S254-R256 VanDerWaalsContact C-N 3.3Å; S254-R256 PolarHBondContact O-N 2.71Å; S254-K257 PolarHBondContact O-N 3.14Å; S254-D258 PolarHBondContact O-N 3.24Å
255L71.8Confident74.5Confident52 Ų5297.3 Ų97.327%0.27248%0.476SS..Hα-helixtrans-62-39177.9-70.7175.1000111.6F249 N252 D258 H259F249-L255 HydrophobicContact CB-CD1 4.28Å; N252-L255 HydrophobicContact CB-CB 4.39Å; N252-L255 HydrophobicContact CB-CD1 3.93Å; N252-L255 HydrophobicContact CB-CG 4.24Å; N252-L255 WeakPolarHBondContact ND2-CD1 3.44Å; N252-L255 PolarHBondContact O-N 3.09Å; L255-D258 PolarHBondContact O-N 3.4Å; L255-H259 WeakPolarHBondContact O-CB 3.48Å; L255-H259 PolarHBondContact O-N 3.43Å
256R73.9Confident75.6Confident134 Ų13496.7 Ų96.751%0.50647%0.467SS..Hα-helixtrans-62.8-44.6173.9-67.7-172.6-176.6-164.62.6112.4P250 N252 S254 D258 H259 D260P250-R256 PolarHBondContact O-NE 3.05Å; P250-R256 PolarHBondContact O-NH2 3.1Å; N252-R256 PolarHBondContact O-N 3.48Å; S254-R256 VanDerWaalsContact C-N 3.3Å; S254-R256 PolarHBondContact O-N 2.71Å; R256-D258 VanDerWaalsContact C-N 3.35Å; R256-D258 PolarHBondContact O-N 3.25Å; R256-H259 PolarHBondContact O-N 3.39Å; R256-D260 VanDerWaalsContact O-CG 3.26Å; R256-D260 PolarHBondContact O-N 3.42Å
257K80.7Confident77.1Confident142 Ų142100.9 Ų100.962%0.61749%0.485SS*.Hα-helixtrans-63.7-38.9177.7-76.1179178.9176.30112.6Q253 S254 K261Q253-K257 WeakPolarHBondContact O-CG 3.27Å; Q253-K257 PolarHBondContact O-N 3.17Å; S254-K257 PolarHBondContact O-N 3.14Å; K257-K261 WeakPolarHBondContact O-CB 3.49Å; K257-K261 PolarHBondContact O-N 3.49Å
258D80.4Confident78.4Confident96 Ų9698 Ų9851%0.51348%0.475SS..Hα-helixtrans-70.9-36.2177.7-74.1-20.3000112.3S254 L255 R256 S262S254-D258 PolarHBondContact O-N 3.24Å; L255-D258 PolarHBondContact O-N 3.4Å; R256-D258 VanDerWaalsContact C-N 3.35Å; R256-D258 PolarHBondContact O-N 3.25Å; D258-S262 WeakPolarHBondContact O-CB 3.46Å; D258-S262 PolarHBondContact O-N 2.9Å; D258-S262 PolarHBondContact O-OG 3.4Å
259H80.4Confident79.7Confident33 Ų3393.7 Ų93.715%0.15346%0.456CS..Hα-helixtrans-61.7-51.5170.1177.7-88.5000111.1K242 P246 L255 R256 K261 S262 L263K242-H259 PolarHBondContact O-CD2 3.44Å; P246-H259 HydrophobicContact CG-CB 4.27Å; L255-H259 WeakPolarHBondContact O-CB 3.48Å; L255-H259 PolarHBondContact O-N 3.43Å; R256-H259 PolarHBondContact O-N 3.39Å; H259-K261 VanDerWaalsContact C-N 3.28Å; H259-K261 PolarHBondContact O-N 2.88Å; H259-S262 CarbonylContact O-C 3.5Å; H259-S262 WeakPolarHBondContact O-CA 3.47Å; H259-S262 WeakPolarHBondContact O-CB 3.38Å; H259-S262 PolarHBondContact O-N 3.11Å; H259-L263 WeakPolarHBondContact O-CB 3.27Å; H259-L263 PolarHBondContact O-N 3.03Å
260D83.8Confident81Confident75 Ų7589 Ų8940%0.40144%0.436SS..Hα-helixtrans-61.9-34.6179.9-69.3-13.5000113R256 R264R256-D260 VanDerWaalsContact O-CG 3.26Å; R256-D260 PolarHBondContact O-N 3.42Å; D260-R264 WeakPolarHBondContact O-CG 3.49Å; D260-R264 PolarHBondContact O-N 2.86Å; D260-R264 PolarHBondContact O-NE 2.85Å
261K86.3Confident82.3Confident152 Ų15287.2 Ų87.266%0.66143%0.428SS*.Hα-helixtrans-68.9-41.6173.7-173.8179.8179.3-177.70111.4K257 H259 K265K257-K261 WeakPolarHBondContact O-CB 3.49Å; K257-K261 PolarHBondContact O-N 3.49Å; H259-K261 VanDerWaalsContact C-N 3.28Å; H259-K261 PolarHBondContact O-N 2.88Å; K261-K265 PolarHBondContact O-N 3.38Å
262S84.3Confident83.6Confident31 Ų3182.1 Ų82.122%0.21740%0.398CS..Hα-helixtrans-64.2-42.1175.8-62.30000111.2K242 D258 H259 K265 Y266K242-S262 PolarHBondContact NZ-OG 3.49Å; D258-S262 WeakPolarHBondContact O-CB 3.46Å; D258-S262 PolarHBondContact O-N 2.9Å; D258-S262 PolarHBondContact O-OG 3.4Å; H259-S262 CarbonylContact O-C 3.5Å; H259-S262 WeakPolarHBondContact O-CA 3.47Å; H259-S262 WeakPolarHBondContact O-CB 3.38Å; H259-S262 PolarHBondContact O-N 3.11Å; S262-K265 PolarHBondContact O-N 2.92Å; S262-Y266 WeakPolarHBondContact O-CB 3.21Å; S262-Y266 PolarHBondContact O-N 3.21Å
263L86.1Confident84.8Confident53 Ų5379 Ų7928%0.27738%0.382SS..Hα-helixtrans-62.4-46.6176.9-176.166.6000111.8L239 H259 K265 Y266 Q267L239-L263 HydrophobicContact CD1-CD1 3.99Å; L239-L263 HydrophobicContact CD2-CD1 3.94Å; H259-L263 WeakPolarHBondContact O-CB 3.27Å; H259-L263 PolarHBondContact O-N 3.03Å; L263-K265 VanDerWaalsContact C-N 3.33Å; L263-K265 PolarHBondContact O-N 3.32Å; L263-Y266 HydrophobicContact CD1-CD1 4.5Å; L263-Y266 WeakPolarHBondContact O-CB 3.43Å; L263-Y266 PolarHBondContact O-N 3.43Å; L263-Q267 WeakPolarHBondContact O-CG 3.35Å; L263-Q267 PolarHBondContact O-N 3.49Å
264R88.1Confident85.7Confident170 Ų17073.3 Ų73.364%0.64236%0.355SS*.Hα-helixtrans-61-40.9175.6-80.8-174.5-91.5-170.7-11.2112.7D260 Q267 S268D260-R264 WeakPolarHBondContact O-CG 3.49Å; D260-R264 PolarHBondContact O-N 2.86Å; D260-R264 PolarHBondContact O-NE 2.85Å; R264-Q267 PolarHBondContact O-N 3.25Å; R264-S268 PolarHBondContact O-N 3.35Å; R264-S268 VanDerWaalsContact O-N 3.1Å
265K88.6Confident86.5Confident146 Ų14671.4 Ų71.464%0.63534%0.339SS*.Hα-helixtrans-63.2-44174.6-175.4-178.9177.1-174.60111K261 S262 L263 S268 L269K261-K265 PolarHBondContact O-N 3.38Å; S262-K265 PolarHBondContact O-N 2.92Å; L263-K265 VanDerWaalsContact C-N 3.33Å; L263-K265 PolarHBondContact O-N 3.32Å; K265-S268 PolarHBondContact O-N 2.83Å; K265-L269 HydrophobicContact CG-CD1 4.26Å; K265-L269 WeakPolarHBondContact O-CG 3.47Å; K265-L269 PolarHBondContact O-N 2.92Å
266Y88.6Confident87.6Confident30 Ų3069 Ų6912%0.11833%0.326CS..Hα-helixtrans-60.1-48.5176.5170.3-104.7000111.8F232 W235 L239 S262 L263 S268 L269 L270F232-Y266 WeakPolarHBondContact CE2-OH 3.45Å; W235-Y266 HydrophobicContact CB-CD2 3.75Å; W235-Y266 HydrophobicContact CB-CE2 3.49Å; W235-Y266 VanDerWaalsContact CB-CE2 3.49Å; W235-Y266 HydrophobicContact CD2-CD2 4.49Å; W235-Y266 HydrophobicContact CD2-CE2 4.47Å; W235-Y266 HydrophobicContact CE3-CD2 4.38Å; W235-Y266 HydrophobicContact CE3-CE2 4.12Å; W235-Y266 HydrophobicContact CG-CD2 4.3Å; W235-Y266 HydrophobicContact CG-CE2 4.31Å; L239-Y266 HydrophobicContact CD1-CD1 4.5Å; L239-Y266 HydrophobicContact CD1-CG 4.41Å; L239-Y266 HydrophobicContact CD2-CD1 4.25Å; L239-Y266 HydrophobicContact CD2-CE1 4.31Å; S262-Y266 WeakPolarHBondContact O-CB 3.21Å; S262-Y266 PolarHBondContact O-N 3.21Å; L263-Y266 HydrophobicContact CD1-CD1 4.5Å; L263-Y266 WeakPolarHBondContact O-CB 3.43Å; L263-Y266 PolarHBondContact O-N 3.43Å; Y266-S268 VanDerWaalsContact C-N 3.31Å; Y266-S268 PolarHBondContact O-N 3.23Å; Y266-L269 PolarHBondContact O-N 3.32Å; Y266-L269 VanDerWaalsContact O-N 3.11Å; Y266-L270 HydrophobicContact CE1-CD2 4.14Å; Y266-L270 WeakPolarHBondContact O-CB 3.48Å; Y266-L270 PolarHBondContact O-N 2.74Å
267Q89.3Confident88.7Confident105 Ų10562.6 Ų62.649%0.49130%0.302SS..Hα-helixtrans-57.3-42.5176.9-73.3171.8-22.900112.2L263 R264 L270 A271L263-Q267 WeakPolarHBondContact O-CG 3.35Å; L263-Q267 PolarHBondContact O-N 3.49Å; R264-Q267 PolarHBondContact O-N 3.25Å; Q267-L270 PolarHBondContact O-N 3.45Å; Q267-A271 PolarHBondContact O-N 3.29Å
268S89.4Confident89.4Confident63 Ų6357 Ų5744%0.44128%0.278SS..Hα-helixtrans-66-38.3176.51780000112.9R264 K265 Y266 K272R264-S268 PolarHBondContact O-N 3.35Å; R264-S268 VanDerWaalsContact O-N 3.1Å; K265-S268 PolarHBondContact O-N 2.83Å; Y266-S268 VanDerWaalsContact C-N 3.31Å; Y266-S268 PolarHBondContact O-N 3.23Å; S268-K272 PolarHBondContact O-N 3.31Å
269L90.7Very high90.1Very high53 Ų5352.4 Ų52.428%0.27725%0.253SS..Hα-helixtrans-69.8-36.7175.4-70.8173.6000111.9W235 K265 Y266 K272 Q273W235-L269 HydrophobicContact CH2-CB 3.76Å; W235-L269 HydrophobicContact CZ2-CB 4.14Å; W235-L269 HydrophobicContact CZ2-CD1 4.07Å; W235-L269 HydrophobicContact CZ3-CB 4.11Å; K265-L269 HydrophobicContact CG-CD1 4.26Å; K265-L269 WeakPolarHBondContact O-CG 3.47Å; K265-L269 PolarHBondContact O-N 2.92Å; Y266-L269 PolarHBondContact O-N 3.32Å; Y266-L269 VanDerWaalsContact O-N 3.11Å; L269-K272 PolarHBondContact O-N 2.98Å; L269-Q273 WeakPolarHBondContact O-CB 3.49Å; L269-Q273 PolarHBondContact O-N 3.45Å
270L91.9Very high90.9Very high28 Ų2850.9 Ų50.915%0.14725%0.246CC..Hα-helixtrans-63.5-48.4177.6-178.260.8000110.8F232 Y266 Q267 K272 Q273 E274F232-L270 HydrophobicContact CD2-CD1 3.8Å; F232-L270 HydrophobicContact CE2-CD1 3.6Å; Y266-L270 HydrophobicContact CE1-CD2 4.14Å; Y266-L270 WeakPolarHBondContact O-CB 3.48Å; Y266-L270 PolarHBondContact O-N 2.74Å; Q267-L270 PolarHBondContact O-N 3.45Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.12Å; L270-Q273 CarbonylContact O-C 3.29Å; L270-Q273 WeakPolarHBondContact O-CA 3.48Å; L270-Q273 WeakPolarHBondContact O-CB 3.31Å; L270-Q273 PolarHBondContact O-N 2.99Å; L270-E274 HydrophobicContact CD1-CG 4.23Å; L270-E274 HydrophobicContact CG-CG 4.37Å; L270-E274 WeakPolarHBondContact O-CG 3.26Å; L270-E274 PolarHBondContact O-N 2.9Å
271A90.8Very high91.6Very high35 Ų3547.3 Ų47.329%0.28923%0.227SC..Hα-helixtrans-58-40.9177.800000112.7Y119 Q267 Q275Y119-A271 HydrophobicContact CE2-CB 4.2Å; Q267-A271 PolarHBondContact O-N 3.29Å; A271-Q275 PolarHBondContact O-N 2.85Å
272K91.3Very high92Very high52 Ų5241.3 Ų41.323%0.22620%0.2CC..Hα-helixtrans-64.3-43.1173.6-70.2-174.6173-1560112.2Y119 V189 D190 S268 L269 L270 Q275 L276Y119-K272 HydrophobicContact CD1-CG 4.29Å; Y119-K272 HydrophobicContact CE1-CD 4.18Å; Y119-K272 HydrophobicContact CE1-CG 3.53Å; Y119-K272 HydrophobicContact CE2-CG 4.08Å; Y119-K272 WeakPolarHBondContact OH-CG 3.47Å; V189-K272 HydrophobicContact CG1-CB 3.93Å; V189-K272 WeakPolarHBondContact CG1-O 3.38Å; D190-K272 VanDerWaalsContact CG-NZ 3.35Å; D190-K272 WeakPolarHBondContact OD1-CD 3.17Å; D190-K272 WeakPolarHBondContact OD1-CE 3.42Å; D190-K272 IonicContact OD1-NZ 3.44Å; D190-K272 PolarHBondContact OD1-NZ 3.38Å; D190-K272 IonicContact OD2-NZ 2.72Å; D190-K272 PolarHBondContact OD2-NZ 3.19Å; S268-K272 PolarHBondContact O-N 3.31Å; L269-K272 PolarHBondContact O-N 2.98Å; L270-K272 VanDerWaalsContact C-N 3.3Å; L270-K272 PolarHBondContact O-N 3.12Å; K272-Q275 PolarHBondContact O-N 3.04Å; K272-L276 PolarHBondContact O-N 2.78Å; K272-L276 VanDerWaalsContact O-N 3.11Å
273Q94.4Very high92.6Very high0 Ų039.9 Ų39.90%019%0.19CC..Hα-helixtrans-63-45.6177.6174.6-178.889.900111.3E228 W235 L269 L270 Q275 L276 L277E228-Q273 HydrophobicContact CB-CG 4.19Å; E228-Q273 PolarHBondContact O-NE2 3.26Å; E228-Q273 PolarHBondContact OE2-NE2 3.47Å; W235-Q273 HydrophobicContact CZ3-CB 4.27Å; L269-Q273 WeakPolarHBondContact O-CB 3.49Å; L269-Q273 PolarHBondContact O-N 3.45Å; L270-Q273 CarbonylContact O-C 3.29Å; L270-Q273 WeakPolarHBondContact O-CA 3.48Å; L270-Q273 WeakPolarHBondContact O-CB 3.31Å; L270-Q273 PolarHBondContact O-N 2.99Å; Q273-Q275 VanDerWaalsContact C-N 3.25Å; Q273-Q275 PolarHBondContact O-N 3.44Å; Q273-L276 PolarHBondContact O-N 3.03Å; Q273-L277 HydrophobicContact CG-CD1 3.8Å; Q273-L277 HydrophobicContact CG-CG 4.16Å; Q273-L277 WeakPolarHBondContact O-CB 3.16Å; Q273-L277 VanDerWaalsContact O-CG 3.28Å; Q273-L277 WeakPolarHBondContact O-CG 3.34Å; Q273-L277 PolarHBondContact O-N 2.78Å
274E93.8Very high93.2Very high25 Ų2537.3 Ų37.312%0.11718%0.177CC..Hα-helixtrans-58.7-40.3179-72.5169.8164.100110.9L270 L277 K278 D314 L317L270-E274 HydrophobicContact CD1-CG 4.23Å; L270-E274 HydrophobicContact CG-CG 4.37Å; L270-E274 WeakPolarHBondContact O-CG 3.26Å; L270-E274 PolarHBondContact O-N 2.9Å; E274-L277 PolarHBondContact O-N 3.34Å; E274-K278 WeakPolarHBondContact O-CB 3.3Å; E274-K278 WeakPolarHBondContact O-CG 3.27Å; E274-K278 PolarHBondContact O-N 2.98Å; E274-D314 HydrophobicContact CG-CB 4.24Å; E274-L317 HydrophobicContact CB-CD2 4.34Å; E274-L317 HydrophobicContact CG-CD2 4.01Å
275Q92.4Very high93.6Very high25 Ų2530.7 Ų30.712%0.11715%0.154CC..Hα-helixtrans-64.3-45.5174.9-170.164.64.300113F116 Y119 T193 A271 K272 Q273 L277 K278 V279F116-Q275 VanDerWaalsContact CE1-NE2 3.28Å; Y119-Q275 HydrophobicContact CD2-CB 4.28Å; Y119-Q275 HydrophobicContact CD2-CG 4.43Å; T193-Q275 HydrophobicContact CG2-CG 3.9Å; A271-Q275 PolarHBondContact O-N 2.85Å; K272-Q275 PolarHBondContact O-N 3.04Å; Q273-Q275 VanDerWaalsContact C-N 3.25Å; Q273-Q275 PolarHBondContact O-N 3.44Å; Q275-L277 VanDerWaalsContact C-N 3.32Å; Q275-L277 PolarHBondContact O-N 3.24Å; Q275-K278 PolarHBondContact O-N 2.6Å; Q275-K278 VanDerWaalsContact OE1-CE 3.23Å; Q275-V279 PolarHBondContact O-N 3.47Å; Q275-V279 VanDerWaalsContact O-N 3.11Å
276L95Very high93.9Very high0 Ų025.8 Ų25.80%013%0.134CC..Hα-helixtrans-60-43.5175.8177.256.7000111.6V189 A192 T193 I224 E228 K272 Q273 V279 S280V189-L276 HydrophobicContact CG1-CB 3.98Å; V189-L276 HydrophobicContact CG1-CD2 3.89Å; A192-L276 HydrophobicContact CB-CD1 3.97Å; A192-L276 HydrophobicContact CB-CD2 4.18Å; T193-L276 WeakPolarHBondContact OG1-CB 3.5Å; I224-L276 HydrophobicContact CG2-CD1 4.17Å; I224-L276 HydrophobicContact CG2-CD2 3.72Å; I224-L276 HydrophobicContact CG2-CG 3.96Å; E228-L276 HydrophobicContact CG-CD2 4.05Å; K272-L276 PolarHBondContact O-N 2.78Å; K272-L276 VanDerWaalsContact O-N 3.11Å; Q273-L276 PolarHBondContact O-N 3.03Å; L276-V279 WeakPolarHBondContact O-CG1 3.41Å; L276-S280 VanDerWaalsContact O-CB 3.24Å; L276-S280 WeakPolarHBondContact O-CB 3.38Å; L276-S280 PolarHBondContact O-N 3.33Å; L276-S280 PolarHBondContact O-OG 2.95Å
277L97.1Very high94.3Very high0 Ų024.5 Ų24.50%013%0.13CC..Hα-helixtrans-63.2-47.3177.4-70.2172.9000110.6V225 E228 Q273 E274 Q275 V279 S280 L281 L309 L317V225-L277 HydrophobicContact CB-CD2 4.19Å; V225-L277 HydrophobicContact CG1-CD2 3.89Å; V225-L277 HydrophobicContact CG2-CD2 4.08Å; E228-L277 HydrophobicContact CB-CD2 4.02Å; Q273-L277 HydrophobicContact CG-CD1 3.8Å; Q273-L277 HydrophobicContact CG-CG 4.16Å; Q273-L277 WeakPolarHBondContact O-CB 3.16Å; Q273-L277 VanDerWaalsContact O-CG 3.28Å; Q273-L277 WeakPolarHBondContact O-CG 3.34Å; Q273-L277 PolarHBondContact O-N 2.78Å; E274-L277 PolarHBondContact O-N 3.34Å; Q275-L277 VanDerWaalsContact C-N 3.32Å; Q275-L277 PolarHBondContact O-N 3.24Å; L277-V279 PolarHBondContact O-N 3.17Å; L277-S280 PolarHBondContact O-N 2.93Å; L277-L281 WeakPolarHBondContact O-CB 3.37Å; L277-L281 WeakPolarHBondContact O-CG 3.38Å; L277-L281 PolarHBondContact O-N 3.06Å; L277-L309 HydrophobicContact CD1-CD2 3.91Å; L277-L317 HydrophobicContact CB-CD1 3.76Å; L277-L317 HydrophobicContact CB-CD2 4.38Å; L277-L317 HydrophobicContact CD1-CD2 4.09Å
278K95.6Very high94.6Very high25 Ų2519.5 Ų19.511%0.10911%0.106CC..Hα-helixtrans-53.8-55.9177.9-80.2-175.2-73.4-150.50111.9F116 E274 Q275 S280 L281 Y282 D314 E316 L317 V320F116-K278 HydrophobicContact CZ-CB 4.44Å; E274-K278 WeakPolarHBondContact O-CB 3.3Å; E274-K278 WeakPolarHBondContact O-CG 3.27Å; E274-K278 PolarHBondContact O-N 2.98Å; Q275-K278 PolarHBondContact O-N 2.6Å; Q275-K278 VanDerWaalsContact OE1-CE 3.23Å; K278-S280 VanDerWaalsContact C-N 3.33Å; K278-S280 PolarHBondContact O-N 3.14Å; K278-L281 PolarHBondContact O-N 2.65Å; K278-Y282 WeakPolarHBondContact O-CD2 3.18Å; K278-Y282 PolarHBondContact O-N 3.38Å; K278-D314 IonicContact NZ-OD1 2.81Å; K278-D314 PolarHBondContact NZ-OD1 2.59Å; K278-D314 IonicContact NZ-OD2 3.79Å; K278-E316 HydrophobicContact CD-CB 3.73Å; K278-L317 HydrophobicContact CD-CB 4.27Å; K278-L317 HydrophobicContact CG-CB 3.92Å; K278-L317 HydrophobicContact CG-CD1 3.91Å; K278-V320 HydrophobicContact CG-CG2 4.13Å
279V94.6Very high94.7Very high0 Ų022 Ų220%011%0.111CC..Hα-helixtrans-66.3-36.3-177.171.20000112.4F116 T193 V196 F200 Q275 L276 L277 L283F116-V279 HydrophobicContact CE1-CB 3.9Å; F116-V279 HydrophobicContact CE1-CG2 4.28Å; F116-V279 HydrophobicContact CZ-CB 4.11Å; F116-V279 HydrophobicContact CZ-CG2 4.39Å; T193-V279 HydrophobicContact CG2-CG1 4.17Å; V196-V279 HydrophobicContact CB-CG1 4.15Å; V196-V279 HydrophobicContact CG1-CB 4.48Å; V196-V279 HydrophobicContact CG1-CG1 3.8Å; V196-V279 HydrophobicContact CG1-CG2 4.21Å; F200-V279 HydrophobicContact CB-CG2 3.8Å; F200-V279 HydrophobicContact CD1-CG2 4.16Å; F200-V279 HydrophobicContact CG-CG2 4.03Å; Q275-V279 PolarHBondContact O-N 3.47Å; Q275-V279 VanDerWaalsContact O-N 3.11Å; L276-V279 WeakPolarHBondContact O-CG1 3.41Å; L277-V279 PolarHBondContact O-N 3.17Å; V279-L283 WeakPolarHBondContact O-CB 3.4Å; V279-L283 PolarHBondContact O-N 2.9Å
280S97.6Very high94.7Very high0 Ų022.6 Ų22.60%011%0.114CC..Hα-helixtrans-64.3-42.9175.4-59.70000111.5L276 L277 K278 L283 L284L276-S280 VanDerWaalsContact O-CB 3.24Å; L276-S280 WeakPolarHBondContact O-CB 3.38Å; L276-S280 PolarHBondContact O-N 3.33Å; L276-S280 PolarHBondContact O-OG 2.95Å; L277-S280 PolarHBondContact O-N 2.93Å; K278-S280 VanDerWaalsContact C-N 3.33Å; K278-S280 PolarHBondContact O-N 3.14Å; S280-L283 PolarHBondContact O-N 3.46Å; S280-L284 WeakPolarHBondContact O-CB 3.23Å; S280-L284 VanDerWaalsContact O-CG 3.23Å; S280-L284 WeakPolarHBondContact O-CG 3.49Å; S280-L284 PolarHBondContact O-N 2.68Å
281L97.8Very high94.8Very high0 Ų025.2 Ų25.20%013%0.132CC..Hα-helixtrans-71.2-38.5-179.7-68.3173000112.2V225 L277 K278 L283 L284 L285 L306 L309 L317 V320V225-L281 HydrophobicContact CG1-CD2 4.34Å; V225-L281 HydrophobicContact CG2-CD2 4.27Å; L277-L281 WeakPolarHBondContact O-CB 3.37Å; L277-L281 WeakPolarHBondContact O-CG 3.38Å; L277-L281 PolarHBondContact O-N 3.06Å; K278-L281 PolarHBondContact O-N 2.65Å; L281-L283 VanDerWaalsContact C-N 3.35Å; L281-L284 PolarHBondContact O-N 2.63Å; L281-L285 WeakPolarHBondContact O-CB 3.4Å; L281-L285 PolarHBondContact O-N 3.37Å; L281-L306 HydrophobicContact CD1-CD2 4.43Å; L281-L306 HydrophobicContact CD2-CD2 3.79Å; L281-L309 HydrophobicContact CD1-CD1 3.47Å; L281-L309 VanDerWaalsContact CD1-CD1 3.47Å; L281-L309 HydrophobicContact CD2-CD1 4.35Å; L281-L309 HydrophobicContact CG-CD1 4.48Å; L281-L317 HydrophobicContact CD1-CD1 3.74Å; L281-V320 HydrophobicContact CB-CB 4.47Å; L281-V320 HydrophobicContact CB-CG1 3.68Å
282Y95.7Very high94.9Very high27 Ų2732.8 Ų32.811%0.10615%0.153CC..Hα-helixtrans-62.7-42.7172.1-79.8-62.2000112.1I111 F116 F200 K278 L284 L285 N286 V320I111-Y282 HydrophobicContact CD1-CE1 3.94Å; I111-Y282 HydrophobicContact CD1-CE2 4.33Å; I111-Y282 VanDerWaalsContact CD1-CZ 3.46Å; I111-Y282 WeakPolarHBondContact CD1-OH 3.36Å; F116-Y282 AromaticContact CE2-CD2 3.75Å; F116-Y282 HydrophobicContact CE2-CD2 3.75Å; F116-Y282 AromaticContact CE2-CE2 3.96Å; F116-Y282 HydrophobicContact CE2-CE2 3.96Å; F116-Y282 AromaticContact CZ-CD2 3.67Å; F116-Y282 HydrophobicContact CZ-CD2 3.67Å; F116-Y282 AromaticContact CZ-CE2 3.93Å; F116-Y282 HydrophobicContact CZ-CE2 3.93Å; F200-Y282 HydrophobicContact CE2-CG 4.3Å; K278-Y282 WeakPolarHBondContact O-CD2 3.18Å; K278-Y282 PolarHBondContact O-N 3.38Å; Y282-L284 VanDerWaalsContact C-N 3.34Å; Y282-L284 PolarHBondContact O-N 3.14Å; Y282-L285 PolarHBondContact O-N 2.87Å; Y282-N286 VanDerWaalsContact O-CG 3.3Å; Y282-N286 PolarHBondContact O-N 3.38Å; Y282-V320 HydrophobicContact CD1-CG1 3.82Å; Y282-V320 HydrophobicContact CD2-CG1 4.14Å; Y282-V320 HydrophobicContact CD2-CG2 4.1Å; Y282-V320 HydrophobicContact CE1-CB 4.39Å; Y282-V320 HydrophobicContact CE1-CG1 3.79Å; Y282-V320 HydrophobicContact CE1-CG2 4.03Å; Y282-V320 HydrophobicContact CE2-CB 4.39Å; Y282-V320 HydrophobicContact CE2-CG1 4.13Å; Y282-V320 HydrophobicContact CE2-CG2 3.39Å; Y282-V320 HydrophobicContact CG-CG1 3.96Å; Y282-V320 VanDerWaalsContact OH-CG2 3.23Å; Y282-V320 WeakPolarHBondContact OH-CG2 3.4Å
283L96.4Very high95.1Very high0 Ų031.3 Ų31.30%015%0.148CC..Hα-helixtrans-58.7-48.8175.3-175.9160.1000110.5V196 F199 F200 V212 I217 V279 S280 L281 N286 L287V196-L283 HydrophobicContact CG1-CD1 4.08Å; F199-L283 HydrophobicContact CB-CD1 3.69Å; F200-L283 HydrophobicContact CB-CB 4.36Å; F200-L283 HydrophobicContact CD2-CB 4.49Å; V212-L283 HydrophobicContact CG1-CD2 4.16Å; I217-L283 HydrophobicContact CG2-CD1 3.86Å; I217-L283 HydrophobicContact CG2-CD2 4.46Å; V279-L283 WeakPolarHBondContact O-CB 3.4Å; V279-L283 PolarHBondContact O-N 2.9Å; S280-L283 PolarHBondContact O-N 3.46Å; L281-L283 VanDerWaalsContact C-N 3.35Å; L283-N286 PolarHBondContact O-N 2.83Å; L283-L287 HydrophobicContact CD2-CD1 3.56Å; L283-L287 HydrophobicContact CD2-CG 4.07Å; L283-L287 WeakPolarHBondContact O-CG 3.22Å; L283-L287 PolarHBondContact O-N 3.44Å
284L98.1Very high95.1Very high0 Ų031.6 Ų31.60%015%0.149CC..Hα-helixtrans-63.8-40.1178.7-70.3171.2000112.5G218 C221 M222 V225 S280 L281 Y282 N286 L287 A288 M297 F324G218-L284 WeakPolarHBondContact O-CD2 3.49Å; C221-L284 HydrophobicContact CB-CD1 4.08Å; C221-L284 HydrophobicContact CB-CD2 3.96Å; C221-L284 HydrophobicContact CB-CG 3.93Å; M222-L284 HydrophobicContact CG-CD1 4.35Å; M222-L284 HydrophobicContact CG-CD2 4.02Å; M222-L284 HydrophobicContact SD-CD1 3.76Å; M222-L284 HydrophobicContact SD-CD2 4.14Å; V225-L284 HydrophobicContact CG2-CD1 4.5Å; S280-L284 WeakPolarHBondContact O-CB 3.23Å; S280-L284 VanDerWaalsContact O-CG 3.23Å; S280-L284 WeakPolarHBondContact O-CG 3.49Å; S280-L284 PolarHBondContact O-N 2.68Å; L281-L284 PolarHBondContact O-N 2.63Å; Y282-L284 VanDerWaalsContact C-N 3.34Å; Y282-L284 PolarHBondContact O-N 3.14Å; L284-N286 VanDerWaalsContact C-N 3.35Å; L284-N286 PolarHBondContact O-N 3.15Å; L284-L287 PolarHBondContact O-N 3.09Å; L284-A288 WeakPolarHBondContact O-CB 3.46Å; L284-A288 PolarHBondContact O-N 2.81Å; L284-M297 HydrophobicContact CB-CE 4.1Å; L284-M297 HydrophobicContact CB-SD 4.21Å; L284-M297 HydrophobicContact CD2-CE 3.61Å; L284-M297 HydrophobicContact CD2-SD 4.11Å; L284-M297 HydrophobicContact CG-CE 4.49Å; L284-M297 VanDerWaalsContact O-CE 3.27Å; L284-M297 WeakPolarHBondContact O-CE 3.43Å; L284-F324 HydrophobicContact CB-CE1 3.7Å; L284-F324 HydrophobicContact CB-CZ 4.14Å
285L96.4Very high95.2Very high30 Ų3034.8 Ų34.816%0.15717%0.167CC..Hα-helixtrans-60-44.6176.5175.556.4000111.3L281 Y282 A288 F324 K327L281-L285 WeakPolarHBondContact O-CB 3.4Å; L281-L285 PolarHBondContact O-N 3.37Å; Y282-L285 PolarHBondContact O-N 2.87Å; L285-A288 PolarHBondContact O-N 3.13Å; L285-F324 HydrophobicContact CB-CD1 4.17Å; L285-F324 HydrophobicContact CB-CD2 4.46Å; L285-F324 HydrophobicContact CB-CE1 4.4Å; L285-F324 HydrophobicContact CB-CG 4.22Å; L285-F324 HydrophobicContact CD1-CB 4.1Å; L285-F324 HydrophobicContact CD1-CD2 3.62Å; L285-F324 HydrophobicContact CD1-CE2 4.2Å; L285-F324 HydrophobicContact CD1-CG 3.89Å; L285-K327 HydrophobicContact CD1-CB 4.3Å; L285-K327 HydrophobicContact CD1-CD 3.72Å
286N95.4Very high95.4Very high43 Ų4340 Ų4023%0.2319%0.189CC..Hα-helixtrans-62.3-46175.1-70.6-9.9000111.3S203 H209 Y282 L283 L284 A288 E289S203-N286 WeakPolarHBondContact O-CB 3.28Å; S203-N286 PolarHBondContact O-ND2 3.39Å; S203-N286 PolarHBondContact OG-ND2 2.96Å; S203-N286 VanDerWaalsContact OG-ND2 3.17Å; H209-N286 PolarHBondContact CE1-O 3.4Å; Y282-N286 VanDerWaalsContact O-CG 3.3Å; Y282-N286 PolarHBondContact O-N 3.38Å; L283-N286 PolarHBondContact O-N 2.83Å; L284-N286 VanDerWaalsContact C-N 3.35Å; L284-N286 PolarHBondContact O-N 3.15Å; N286-A288 PolarHBondContact O-N 3.11Å; N286-E289 WeakPolarHBondContact O-CB 3.33Å; N286-E289 PolarHBondContact O-N 3.19Å; N286-E289 VanDerWaalsContact O-N 3.1Å
287L96.1Very high95.5Very high3 Ų340.4 Ų40.42%0.01619%0.191CC..Hα-helixtrans-65.5-26.1177.9-67.9-176.3000113.5H209 V212 L283 L284 E289 D290 T293 M297H209-L287 HydrophobicContact CB-CD2 4.02Å; V212-L287 HydrophobicContact CB-CD2 4.11Å; V212-L287 HydrophobicContact CG1-CD1 3.84Å; V212-L287 HydrophobicContact CG1-CD2 4.03Å; V212-L287 HydrophobicContact CG1-CG 4.38Å; L283-L287 HydrophobicContact CD2-CD1 3.56Å; L283-L287 HydrophobicContact CD2-CG 4.07Å; L283-L287 WeakPolarHBondContact O-CG 3.22Å; L283-L287 PolarHBondContact O-N 3.44Å; L284-L287 PolarHBondContact O-N 3.09Å; L287-E289 PolarHBondContact O-N 3.32Å; L287-D290 PolarHBondContact O-N 3.07Å; L287-T293 HydrophobicContact CB-CG2 4.16Å; L287-M297 HydrophobicContact CB-CE 3.74Å
288A95.2Very high95.5Very high0 Ų043.2 Ų43.20%020%0.202CC..THydrogen-bonded Turntrans-71.1-4.8175.700000112.8L284 L285 N286 D290 E294 M297 F324 K327L284-A288 WeakPolarHBondContact O-CB 3.46Å; L284-A288 PolarHBondContact O-N 2.81Å; L285-A288 PolarHBondContact O-N 3.13Å; N286-A288 PolarHBondContact O-N 3.11Å; A288-D290 PolarHBondContact O-N 3.29Å; A288-E294 HydrophobicContact CB-CB 4.25Å; A288-E294 HydrophobicContact CB-CG 4.25Å; A288-M297 HydrophobicContact CB-SD 4.31Å; A288-F324 HydrophobicContact CB-CE2 3.71Å; A288-F324 HydrophobicContact CB-CZ 4.04Å; A288-K327 HydrophobicContact CB-CD 4.44Å; A288-K327 WeakPolarHBondContact O-CE 3.4Å; A288-K327 PolarHBondContact O-NZ 3.25Å
289E91.6Very high95.5Very high117 Ų11747.4 Ų47.455%0.54723%0.225SC..THydrogen-bonded Turntrans-52.8-37.7166.8-169.1-177.117100111.2S206 H209 N286 L287S206-E289 PolarHBondContact OG-OE1 3.26Å; S206-E289 PolarHBondContact OG-OE2 3.47Å; H209-E289 IonicContact CE1-OE2 3.69Å; H209-E289 PolarHBondContact CE1-OE2 2.87Å; N286-E289 WeakPolarHBondContact O-CB 3.33Å; N286-E289 PolarHBondContact O-N 3.19Å; N286-E289 VanDerWaalsContact O-N 3.1Å; L287-E289 PolarHBondContact O-N 3.32Å
290D92.2Very high95.6Very high64 Ų6452.3 Ų52.334%0.34225%0.247SC..SBendtrans-79.5117.7169.3170.848.6000111.4L287 A288 R292 T293 E294L287-D290 PolarHBondContact O-N 3.07Å; A288-D290 PolarHBondContact O-N 3.29Å; D290-R292 PolarHBondContact O-N 3.07Å; D290-R292 PolarHBondContact OD1-N 2.93Å; D290-R292 WeakPolarHBondContact OD2-CB 3.45Å; D290-T293 WeakPolarHBondContact O-CB 3.5Å; D290-T293 PolarHBondContact O-N 2.83Å; D290-T293 WeakPolarHBondContact OD2-CB 3.24Å; D290-T293 PolarHBondContact OD2-N 2.79Å; D290-T293 PolarHBondContact OD2-OG1 2.8Å; D290-E294 PolarHBondContact O-N 3.2Å
291T93.3Very high95.6Very high83 Ų8356.9 Ų56.951%0.50927%0.271SS..Hα-helixtrans-61.6-29.8-178.554.70000113.2E294 L295 F331T291-E294 PolarHBondContact O-N 2.97Å; T291-L295 WeakPolarHBondContact O-CB 3.48Å; T291-L295 PolarHBondContact O-N 2.62Å; T291-F331 HydrophobicContact CG2-CZ 4.07Å
292R93.9Very high95.6Very high194 Ų19456.9 Ų56.973%0.73227%0.271SS*.Hα-helixtrans-69.3-38175.9-63.7176.6177.1174.60.6111.4D290 K296D290-R292 PolarHBondContact O-N 3.07Å; D290-R292 PolarHBondContact OD1-N 2.93Å; D290-R292 WeakPolarHBondContact OD2-CB 3.45Å; R292-K296 WeakPolarHBondContact O-CG 3.2Å; R292-K296 PolarHBondContact O-N 3.08Å
293T94.3Very high95.8Very high21 Ų2155.6 Ų55.613%0.12927%0.266CS..Hα-helixtrans-70.8-43.1175.5-620000110.5L287 D290 L295 K296 M297L287-T293 HydrophobicContact CB-CG2 4.16Å; D290-T293 WeakPolarHBondContact O-CB 3.5Å; D290-T293 PolarHBondContact O-N 2.83Å; D290-T293 WeakPolarHBondContact OD2-CB 3.24Å; D290-T293 PolarHBondContact OD2-N 2.79Å; D290-T293 PolarHBondContact OD2-OG1 2.8Å; T293-L295 VanDerWaalsContact C-N 3.33Å; T293-L295 PolarHBondContact O-N 3.09Å; T293-K296 WeakPolarHBondContact O-CB 3.47Å; T293-K296 PolarHBondContact O-N 3.17Å; T293-K296 VanDerWaalsContact O-N 3.09Å; T293-M297 HydrophobicContact CG2-CE 3.62Å; T293-M297 WeakPolarHBondContact O-CG 3.21Å; T293-M297 PolarHBondContact O-N 3.23Å
294E95.3Very high95.8Very high6 Ų658.7 Ų58.73%0.02828%0.28CS..Hα-helixtrans-53.6-48.4172.7-167.1-178.1124.200111.8A288 D290 T291 K296 M297 R298 K327 L328 F331 N334A288-E294 HydrophobicContact CB-CB 4.25Å; A288-E294 HydrophobicContact CB-CG 4.25Å; D290-E294 PolarHBondContact O-N 3.2Å; T291-E294 PolarHBondContact O-N 2.97Å; E294-K296 VanDerWaalsContact C-N 3.31Å; E294-K296 PolarHBondContact O-N 2.93Å; E294-M297 WeakPolarHBondContact O-CA 3.42Å; E294-M297 WeakPolarHBondContact O-CB 3.37Å; E294-M297 PolarHBondContact O-N 2.61Å; E294-R298 PolarHBondContact O-N 3.26Å; E294-K327 IonicContact OE2-NZ 2.83Å; E294-K327 PolarHBondContact OE2-NZ 2.99Å; E294-K327 VanDerWaalsContact OE2-NZ 3.13Å; E294-L328 VanDerWaalsContact CD-CD2 3.47Å; E294-L328 HydrophobicContact CG-CD2 3.39Å; E294-L328 WeakPolarHBondContact OE1-CD2 3.47Å; E294-F331 WeakPolarHBondContact OE1-CD2 3.48Å; E294-F331 VanDerWaalsContact OE1-CE2 3.23Å; E294-F331 WeakPolarHBondContact OE1-CE2 3.06Å; E294-N334 PolarHBondContact OE1-ND2 3.03Å
295L95.6Very high95.9Very high93 Ų9359.4 Ų59.449%0.48728%0.284SS..Hα-helixtrans-59.6-39177-178.262.5000112.7T291 T293 M297 R298 N299T291-L295 WeakPolarHBondContact O-CB 3.48Å; T291-L295 PolarHBondContact O-N 2.62Å; T293-L295 VanDerWaalsContact C-N 3.33Å; T293-L295 PolarHBondContact O-N 3.09Å; L295-M297 VanDerWaalsContact C-N 3.33Å; L295-R298 PolarHBondContact O-N 3.2Å; L295-N299 VanDerWaalsContact O-CG 3.24Å; L295-N299 PolarHBondContact O-N 3.09Å; L295-N299 PolarHBondContact O-ND2 2.93Å
296K95.8Very high96Very high135 Ų13558 Ų5859%0.58728%0.277SS*.Hα-helixtrans-66.2-35.5175-70.9172-175.6171.50112.2R292 T293 E294 K300R292-K296 WeakPolarHBondContact O-CG 3.2Å; R292-K296 PolarHBondContact O-N 3.08Å; T293-K296 WeakPolarHBondContact O-CB 3.47Å; T293-K296 PolarHBondContact O-N 3.17Å; T293-K296 VanDerWaalsContact O-N 3.09Å; E294-K296 VanDerWaalsContact C-N 3.31Å; E294-K296 PolarHBondContact O-N 2.93Å; K296-K300 PolarHBondContact O-N 2.63Å
297M97.4Very high96.1Very high7 Ų756 Ų563%0.03427%0.266CS..Hα-helixtrans-69.2-42.5175.2-63.4-176.3-170.900111M222 L284 L287 A288 T293 E294 L295 N299 K300 N301 I302 F324M222-M297 HydrophobicContact SD-CB 4.37Å; M222-M297 HydrophobicContact SD-CG 4.29Å; L284-M297 HydrophobicContact CB-CE 4.1Å; L284-M297 HydrophobicContact CB-SD 4.21Å; L284-M297 HydrophobicContact CD2-CE 3.61Å; L284-M297 HydrophobicContact CD2-SD 4.11Å; L284-M297 HydrophobicContact CG-CE 4.49Å; L284-M297 VanDerWaalsContact O-CE 3.27Å; L284-M297 WeakPolarHBondContact O-CE 3.43Å; L287-M297 HydrophobicContact CB-CE 3.74Å; A288-M297 HydrophobicContact CB-SD 4.31Å; T293-M297 HydrophobicContact CG2-CE 3.62Å; T293-M297 WeakPolarHBondContact O-CG 3.21Å; T293-M297 PolarHBondContact O-N 3.23Å; E294-M297 WeakPolarHBondContact O-CA 3.42Å; E294-M297 WeakPolarHBondContact O-CB 3.37Å; E294-M297 PolarHBondContact O-N 2.61Å; L295-M297 VanDerWaalsContact C-N 3.33Å; M297-N299 PolarHBondContact O-N 3.28Å; M297-K300 CarbonylContact O-C 3.55Å; M297-K300 WeakPolarHBondContact O-CA 3.33Å; M297-K300 WeakPolarHBondContact O-CB 3.41Å; M297-K300 PolarHBondContact O-N 3.2Å; M297-N301 PolarHBondContact O-N 3.09Å; M297-I302 VanDerWaalsContact C-CG2 3.49Å; M297-I302 HydrophobicContact CB-CB 4.09Å; M297-I302 HydrophobicContact CB-CG2 3.85Å; M297-I302 WeakPolarHBondContact O-CG2 3.41Å; M297-I302 PolarHBondContact O-N 3.16Å; M297-F324 HydrophobicContact SD-CZ 3.86Å
298R96.9Very high96.1Very high60 Ų6058.6 Ų58.623%0.22628%0.277CS..Hα-helixtrans-55.6-49.6172.9-172.8-163.9171.3-138.1-16.2111.7E294 L295 K300 N301 N334 D337E294-R298 PolarHBondContact O-N 3.26Å; L295-R298 PolarHBondContact O-N 3.2Å; R298-K300 PolarHBondContact O-N 3.15Å; R298-N301 PolarHBondContact O-N 3.34Å; R298-N334 WeakPolarHBondContact CD-OD1 3.4Å; R298-N334 VanDerWaalsContact CG-OD1 3.25Å; R298-N334 WeakPolarHBondContact CG-OD1 3.35Å; R298-D337 IonicContact CZ-OD2 3.19Å; R298-D337 IonicContact NE-OD2 2.62Å; R298-D337 PolarHBondContact NE-OD2 3.4Å; R298-D337 IonicContact NH2-OD1 2.76Å; R298-D337 PolarHBondContact NH2-OD1 2.85Å; R298-D337 VanDerWaalsContact NH2-OD1 3.12Å; R298-D337 IonicContact NH2-OD2 3.22Å; R298-D337 PolarHBondContact NH2-OD2 3.49Å
299N96.6Very high96.3Very high113 Ų11358.6 Ų58.660%0.60428%0.277SS*.THydrogen-bonded Turntrans-60.9-12.8176.5-69-16.1000113.8L295 M297L295-N299 VanDerWaalsContact O-CG 3.24Å; L295-N299 PolarHBondContact O-N 3.09Å; L295-N299 PolarHBondContact O-ND2 2.93Å; M297-N299 PolarHBondContact O-N 3.28Å
300K96.5Very high96.5Very high103 Ų10353 Ų5345%0.44825%0.251SS..THydrogen-bonded Turntrans-107.223173.4-73.3-167.5168.6-157.40112.8M222 K296 M297 R298 I302M222-K300 HydrophobicContact CE-CB 3.78Å; K296-K300 PolarHBondContact O-N 2.63Å; M297-K300 CarbonylContact O-C 3.55Å; M297-K300 WeakPolarHBondContact O-CA 3.33Å; M297-K300 WeakPolarHBondContact O-CB 3.41Å; M297-K300 PolarHBondContact O-N 3.2Å; R298-K300 PolarHBondContact O-N 3.15Å; K300-I302 VanDerWaalsContact C-N 3.35Å; K300-I302 PolarHBondContact O-N 2.84Å
301N97.3Very high96.6Very high95 Ų9554.5 Ų54.551%0.50826%0.256SS..THydrogen-bonded Turntrans61.134.3173.2-55.3-41.6000114.8M297 R298 V303 Q304 M305M297-N301 PolarHBondContact O-N 3.09Å; R298-N301 PolarHBondContact O-N 3.34Å; N301-V303 PolarHBondContact O-N 2.95Å; N301-Q304 HydrophobicContact CB-CB 4.37Å; N301-Q304 VanDerWaalsContact CB-OE1 3.32Å; N301-Q304 PolarHBondContact O-N 3.22Å; N301-Q304 PolarHBondContact O-OE1 3.41Å; N301-M305 WeakPolarHBondContact O-CG 3.27Å; N301-M305 PolarHBondContact O-N 3.43Å; N301-M305 VanDerWaalsContact O-N 3.13Å
302I98.3Very high96.6Very high0 Ų051 Ų510%023%0.234CC..Hα-helixtrans-57.3-35.8177-171.151.5000112M222 M297 K300 M305 L306 F324 L328M222-I302 HydrophobicContact CE-CB 3.79Å; M222-I302 HydrophobicContact CE-CD1 4Å; M222-I302 HydrophobicContact CE-CG1 4.32Å; M222-I302 HydrophobicContact SD-CB 4.3Å; M222-I302 HydrophobicContact SD-CD1 3.75Å; M222-I302 HydrophobicContact SD-CG1 4.25Å; M297-I302 VanDerWaalsContact C-CG2 3.49Å; M297-I302 HydrophobicContact CB-CB 4.09Å; M297-I302 HydrophobicContact CB-CG2 3.85Å; M297-I302 WeakPolarHBondContact O-CG2 3.41Å; M297-I302 PolarHBondContact O-N 3.16Å; K300-I302 VanDerWaalsContact C-N 3.35Å; K300-I302 PolarHBondContact O-N 2.84Å; I302-M305 PolarHBondContact O-N 3.47Å; I302-L306 HydrophobicContact CD1-CD1 4.29Å; I302-L306 HydrophobicContact CD1-CG 4.05Å; I302-L306 HydrophobicContact CG1-CD1 3.88Å; I302-L306 HydrophobicContact CG1-CG 4.16Å; I302-L306 WeakPolarHBondContact O-CB 3.47Å; I302-L306 VanDerWaalsContact O-CG 3.22Å; I302-L306 WeakPolarHBondContact O-CG 3.45Å; I302-L306 PolarHBondContact O-N 2.94Å; I302-F324 HydrophobicContact CD1-CE1 4.25Å; I302-F324 HydrophobicContact CG1-CE1 4.07Å; I302-F324 HydrophobicContact CG1-CZ 4.18Å; I302-L328 HydrophobicContact CG2-CD1 3.9Å
303V98.4Very high96.6Very high0 Ų048.7 Ų48.70%024%0.236CC..Hα-helixtrans-61.3-49.6179175.40000110.6N301 M305 L306 V307 L325 L328 N334 D337 M338N301-V303 PolarHBondContact O-N 2.95Å; V303-M305 VanDerWaalsContact C-N 3.3Å; V303-M305 PolarHBondContact O-N 3.25Å; V303-L306 PolarHBondContact O-N 3.33Å; V303-V307 HydrophobicContact CG1-CG2 4.28Å; V303-V307 VanDerWaalsContact O-CG2 3.3Å; V303-V307 WeakPolarHBondContact O-CG2 3.42Å; V303-V307 PolarHBondContact O-N 2.92Å; V303-L325 HydrophobicContact CG1-CD2 4.29Å; V303-L328 HydrophobicContact CG2-CD1 3.89Å; V303-N334 HydrophobicContact CG2-CB 4.47Å; V303-D337 HydrophobicContact CB-CB 4.05Å; V303-D337 HydrophobicContact CG1-CB 3.83Å; V303-D337 HydrophobicContact CG2-CB 4.23Å; V303-M338 HydrophobicContact CG1-CB 4.32Å; V303-M338 HydrophobicContact CG1-CG 3.49Å; V303-M338 VanDerWaalsContact CG1-CG 3.49Å
304Q98.1Very high96.6Very high65 Ų6549.6 Ų49.630%0.30424%0.24SC..Hα-helixtrans-62.5-39179.7-66.676.1800111.3N301 K308N301-Q304 HydrophobicContact CB-CB 4.37Å; N301-Q304 VanDerWaalsContact CB-OE1 3.32Å; N301-Q304 PolarHBondContact O-N 3.22Å; N301-Q304 PolarHBondContact O-OE1 3.41Å; Q304-K308 WeakPolarHBondContact O-CB 3.34Å; Q304-K308 PolarHBondContact O-N 3.4Å
305M98.4Very high96.5Very high16 Ų1653 Ų538%0.07926%0.256CS..Hα-helixtrans-64.3-44.3176-66.8171.258.700112M222 V225 E226 L229 N301 I302 V303 K308 L309M222-M305 HydrophobicContact CE-SD 4.05Å; V225-M305 HydrophobicContact CB-CE 3.5Å; V225-M305 VanDerWaalsContact CB-CE 3.5Å; V225-M305 HydrophobicContact CG1-CE 3.27Å; E226-M305 HydrophobicContact CB-CE 3.76Å; E226-M305 HydrophobicContact CB-SD 4.18Å; E226-M305 HydrophobicContact CG-SD 4.48Å; L229-M305 HydrophobicContact CD1-CB 3.81Å; L229-M305 HydrophobicContact CD1-CE 4.36Å; L229-M305 HydrophobicContact CD1-CG 4.09Å; N301-M305 WeakPolarHBondContact O-CG 3.27Å; N301-M305 PolarHBondContact O-N 3.43Å; N301-M305 VanDerWaalsContact O-N 3.13Å; I302-M305 PolarHBondContact O-N 3.47Å; V303-M305 VanDerWaalsContact C-N 3.3Å; V303-M305 PolarHBondContact O-N 3.25Å; M305-K308 PolarHBondContact O-N 3.16Å; M305-L309 WeakPolarHBondContact O-CG 3.31Å; M305-L309 PolarHBondContact O-N 3.21Å; M305-L309 VanDerWaalsContact O-N 3.17Å
306L98.6Very high96.4Very high0 Ų052.1 Ų52.10%025%0.249CC..Hα-helixtrans-66.6-42.4177.3-71170.3000112.3L281 I302 V303 K308 L309 L310 A321 F324 L325 L328L281-L306 HydrophobicContact CD1-CD2 4.43Å; L281-L306 HydrophobicContact CD2-CD2 3.79Å; I302-L306 HydrophobicContact CD1-CD1 4.29Å; I302-L306 HydrophobicContact CD1-CG 4.05Å; I302-L306 HydrophobicContact CG1-CD1 3.88Å; I302-L306 HydrophobicContact CG1-CG 4.16Å; I302-L306 WeakPolarHBondContact O-CB 3.47Å; I302-L306 VanDerWaalsContact O-CG 3.22Å; I302-L306 WeakPolarHBondContact O-CG 3.45Å; I302-L306 PolarHBondContact O-N 2.94Å; V303-L306 PolarHBondContact O-N 3.33Å; L306-K308 VanDerWaalsContact C-N 3.29Å; L306-K308 PolarHBondContact O-N 3.29Å; L306-L309 HydrophobicContact CD2-CD1 4.4Å; L306-L309 WeakPolarHBondContact O-CB 3.42Å; L306-L309 PolarHBondContact O-N 3.42Å; L306-L309 VanDerWaalsContact O-N 3.08Å; L306-L310 PolarHBondContact O-N 3.08Å; L306-A321 HydrophobicContact CD2-CB 4.24Å; L306-F324 HydrophobicContact CD1-CB 3.91Å; L306-F324 HydrophobicContact CD1-CD1 3.83Å; L306-F324 HydrophobicContact CD1-CD2 4.27Å; L306-F324 HydrophobicContact CD1-CE1 4.42Å; L306-F324 HydrophobicContact CD1-CG 3.73Å; L306-F324 HydrophobicContact CD2-CB 4.11Å; L306-F324 HydrophobicContact CD2-CD1 3.87Å; L306-F324 HydrophobicContact CD2-CG 4.29Å; L306-F324 HydrophobicContact CG-CD1 4.42Å; L306-L325 HydrophobicContact CB-CD1 4.13Å; L306-L325 HydrophobicContact CB-CD2 3.62Å; L306-L325 HydrophobicContact CB-CG 3.74Å; L306-L325 HydrophobicContact CD1-CD2 3.93Å; L306-L325 HydrophobicContact CD1-CG 4.09Å; L306-L325 HydrophobicContact CG-CD2 4.45Å; L306-L328 HydrophobicContact CD1-CD1 3.71Å
307V98.4Very high96.3Very high2 Ų245.7 Ų45.71%0.01222%0.221CC..Hα-helixtrans-64.2-36177174.20000111V303 L309 L310 L325 A341 A343 K346V303-V307 HydrophobicContact CG1-CG2 4.28Å; V303-V307 VanDerWaalsContact O-CG2 3.3Å; V303-V307 WeakPolarHBondContact O-CG2 3.42Å; V303-V307 PolarHBondContact O-N 2.92Å; V307-L309 VanDerWaalsContact C-N 3.31Å; V307-L309 PolarHBondContact O-N 3.46Å; V307-L310 WeakPolarHBondContact O-CB 3.41Å; V307-L310 PolarHBondContact O-N 3.17Å; V307-L325 HydrophobicContact CG2-CD1 4.16Å; V307-L325 HydrophobicContact CG2-CD2 4Å; V307-A341 HydrophobicContact CB-CB 4.05Å; V307-A341 HydrophobicContact CG1-CB 3.85Å; V307-A341 VanDerWaalsContact CG1-O 3.29Å; V307-A341 WeakPolarHBondContact CG1-O 3.39Å; V307-A341 HydrophobicContact CG2-CB 4.08Å; V307-A343 HydrophobicContact CG1-CB 4.22Å; V307-A343 HydrophobicContact CG2-CB 3.79Å; V307-K346 HydrophobicContact CG1-CD 3.75Å; V307-K346 WeakPolarHBondContact O-CD 3.39Å
308K97.1Very high96.3Very high56 Ų5645.7 Ų45.724%0.24322%0.221CC..Hα-helixtrans-63.8-34.7172.1-168.4176.4-172.7175.10112.7L229 E233 Q304 M305 L306 L310 E311L229-K308 HydrophobicContact CD1-CD 4.42Å; E233-K308 WeakPolarHBondContact OE1-CE 3.5Å; E233-K308 IonicContact OE1-NZ 3.31Å; E233-K308 PolarHBondContact OE1-NZ 3.45Å; E233-K308 IonicContact OE2-NZ 2.88Å; E233-K308 PolarHBondContact OE2-NZ 3.43Å; Q304-K308 WeakPolarHBondContact O-CB 3.34Å; Q304-K308 PolarHBondContact O-N 3.4Å; M305-K308 PolarHBondContact O-N 3.16Å; L306-K308 VanDerWaalsContact C-N 3.29Å; L306-K308 PolarHBondContact O-N 3.29Å; K308-L310 PolarHBondContact O-N 3.42Å; K308-E311 PolarHBondContact O-N 3.41Å
309L97.8Very high96.3Very high0 Ų043.5 Ų43.50%021%0.214CC..Hα-helixtrans-66.7-18.6175.8-71.9166.5000113.6L229 L277 L281 M305 L306 V307 E311 R312 L317 L318 A321L229-L309 HydrophobicContact CD2-CD2 3.49Å; L229-L309 VanDerWaalsContact CD2-CD2 3.49Å; L229-L309 HydrophobicContact CD2-CG 3.92Å; L277-L309 HydrophobicContact CD1-CD2 3.91Å; L281-L309 HydrophobicContact CD1-CD1 3.47Å; L281-L309 VanDerWaalsContact CD1-CD1 3.47Å; L281-L309 HydrophobicContact CD2-CD1 4.35Å; L281-L309 HydrophobicContact CG-CD1 4.48Å; M305-L309 WeakPolarHBondContact O-CG 3.31Å; M305-L309 PolarHBondContact O-N 3.21Å; M305-L309 VanDerWaalsContact O-N 3.17Å; L306-L309 HydrophobicContact CD2-CD1 4.4Å; L306-L309 WeakPolarHBondContact O-CB 3.42Å; L306-L309 PolarHBondContact O-N 3.42Å; L306-L309 VanDerWaalsContact O-N 3.08Å; V307-L309 VanDerWaalsContact C-N 3.31Å; V307-L309 PolarHBondContact O-N 3.46Å; L309-E311 PolarHBondContact O-N 3.19Å; L309-R312 HydrophobicContact CD2-CG 4.2Å; L309-R312 WeakPolarHBondContact O-CB 3.35Å; L309-R312 VanDerWaalsContact O-CG 3.26Å; L309-R312 WeakPolarHBondContact O-CG 3.45Å; L309-R312 PolarHBondContact O-N 3.45Å; L309-L317 HydrophobicContact CD2-CD2 4.21Å; L309-L318 WeakPolarHBondContact O-CD2 3.4Å; L309-A321 HydrophobicContact CB-CB 4.12Å
310L97.3Very high96.3Very high0 Ų038.1 Ų38.10%019%0.185CC..THydrogen-bonded Turntrans-68.5-1174.7-53.9-179.1000113.6L306 V307 K308 A321 V322 L325 K346 L347 R349 L350L306-L310 PolarHBondContact O-N 3.08Å; V307-L310 WeakPolarHBondContact O-CB 3.41Å; V307-L310 PolarHBondContact O-N 3.17Å; K308-L310 PolarHBondContact O-N 3.42Å; L310-A321 HydrophobicContact CD2-CB 4.26Å; L310-V322 HydrophobicContact CD2-CG2 3.59Å; L310-L325 HydrophobicContact CD1-CD1 3.82Å; L310-L325 HydrophobicContact CD2-CD1 4.12Å; L310-L325 HydrophobicContact CG-CD1 4.19Å; L310-K346 HydrophobicContact CB-CB 3.77Å; L310-K346 HydrophobicContact CB-CD 4.26Å; L310-K346 HydrophobicContact CD1-CB 3.97Å; L310-L347 HydrophobicContact CD1-CD2 3.78Å; L310-L347 HydrophobicContact CD1-CG 4Å; L310-L347 HydrophobicContact CD2-CD2 4.44Å; L310-R349 PolarHBondContact O-NH2 3.02Å; L310-L350 HydrophobicContact CD2-CD1 4.07Å
311E93.8Very high96.4Very high95 Ų9533.2 Ų33.244%0.44416%0.164SC..THydrogen-bonded Turntrans-92.5-2.9171.8-63.2175.9175.100113.3K308 L309 K346K308-E311 PolarHBondContact O-N 3.41Å; L309-E311 PolarHBondContact O-N 3.19Å; E311-K346 HydrophobicContact CG-CD 4.24Å; E311-K346 IonicContact OE1-NZ 3.78Å; E311-K346 PolarHBondContact OE1-NZ 3.19Å
312R94Very high96.4Very high10 Ų1028.7 Ų28.74%0.03814%0.139CC..  trans-80164.5178.2-58-55.3-177.2114.53111.8F232 L309 L317 L318F232-R312 VanDerWaalsContact CD2-CZ 3.41Å; L309-R312 HydrophobicContact CD2-CG 4.2Å; L309-R312 WeakPolarHBondContact O-CB 3.35Å; L309-R312 VanDerWaalsContact O-CG 3.26Å; L309-R312 WeakPolarHBondContact O-CG 3.45Å; L309-R312 PolarHBondContact O-N 3.45Å; R312-L317 HydrophobicContact CB-CD2 4.32Å; R312-L317 HydrophobicContact CG-CD2 4.1Å; R312-L318 HydrophobicContact CB-CD2 4.44Å; R312-L318 WeakPolarHBondContact O-CD1 3.37Å
313D93.1Very high96.3Very high146 Ų14630.1 Ų30.178%0.78115%0.15SC*.  trans-103.8-22-179.3-59.6-47.2000113.2Q315D313-Q315 PolarHBondContact O-N 3.26Å; D313-Q315 VanDerWaalsContact O-N 3.12Å
314D93.9Very high96.3Very high39 Ų3930.1 Ų30.121%0.20915%0.15CC..  trans-66.4109.8178-177.7-115.3000110.9E274 K278 E316 L317 L318E274-D314 HydrophobicContact CG-CB 4.24Å; K278-D314 IonicContact NZ-OD1 2.81Å; K278-D314 PolarHBondContact NZ-OD1 2.59Å; K278-D314 IonicContact NZ-OD2 3.79Å; D314-E316 VanDerWaalsContact C-N 3.28Å; D314-E316 PolarHBondContact O-N 2.91Å; D314-L317 HydrophobicContact CB-CB 4.02Å; D314-L317 PolarHBondContact O-N 3.41Å; D314-L317 WeakPolarHBondContact OD1-CB 3.37Å; D314-L317 PolarHBondContact OD1-N 3.45Å; D314-L318 WeakPolarHBondContact O-CG 3.5Å; D314-L318 PolarHBondContact O-N 3Å
315Q94Very high96.4Very high79 Ų7927 Ų2737%0.36914%0.135SC..Hα-helixtrans-62.1-35-174-66.6178.2-9.900112.5D313 L318 L319 H355 L358D313-Q315 PolarHBondContact O-N 3.26Å; D313-Q315 VanDerWaalsContact O-N 3.12Å; Q315-L318 PolarHBondContact O-N 2.86Å; Q315-L319 WeakPolarHBondContact O-CB 3.32Å; Q315-L319 PolarHBondContact O-N 3.26Å; Q315-H355 HydrophobicContact CB-CB 4.4Å; Q315-H355 HydrophobicContact CG-CB 4.46Å; Q315-H355 PolarHBondContact OE1-CD2 2.89Å; Q315-H355 VanDerWaalsContact OE1-CD2 3.27Å; Q315-L358 HydrophobicContact CB-CD2 4.32Å; Q315-L358 HydrophobicContact CG-CD2 4.45Å
316E91.9Very high96.3Very high74 Ų7429.1 Ų29.135%0.34614%0.144SC..Hα-helixtrans-66.7-44.8176.3-68.5-66165.600111.5K278 D314 L319 V320 H355K278-E316 HydrophobicContact CD-CB 3.73Å; D314-E316 VanDerWaalsContact C-N 3.28Å; D314-E316 PolarHBondContact O-N 2.91Å; E316-L319 WeakPolarHBondContact O-CB 3.46Å; E316-L319 PolarHBondContact O-N 3.22Å; E316-V320 WeakPolarHBondContact O-CG2 3.33Å; E316-V320 PolarHBondContact O-N 3.02Å; E316-V320 VanDerWaalsContact O-N 3.1Å; E316-H355 IonicContact OE1-NE2 3.21Å
317L95.6Very high96.2Very high0 Ų031.6 Ų31.60%016%0.155CC..Hα-helixtrans-63.2-43.4175.5176.859.6000111.7E274 L277 K278 L281 L309 R312 D314 L319 V320 A321E274-L317 HydrophobicContact CB-CD2 4.34Å; E274-L317 HydrophobicContact CG-CD2 4.01Å; L277-L317 HydrophobicContact CB-CD1 3.76Å; L277-L317 HydrophobicContact CB-CD2 4.38Å; L277-L317 HydrophobicContact CD1-CD2 4.09Å; K278-L317 HydrophobicContact CD-CB 4.27Å; K278-L317 HydrophobicContact CG-CB 3.92Å; K278-L317 HydrophobicContact CG-CD1 3.91Å; L281-L317 HydrophobicContact CD1-CD1 3.74Å; L309-L317 HydrophobicContact CD2-CD2 4.21Å; R312-L317 HydrophobicContact CB-CD2 4.32Å; R312-L317 HydrophobicContact CG-CD2 4.1Å; D314-L317 HydrophobicContact CB-CB 4.02Å; D314-L317 PolarHBondContact O-N 3.41Å; D314-L317 WeakPolarHBondContact OD1-CB 3.37Å; D314-L317 PolarHBondContact OD1-N 3.45Å; L317-L319 VanDerWaalsContact C-N 3.28Å; L317-L319 PolarHBondContact O-N 3.03Å; L317-V320 PolarHBondContact O-N 3.25Å; L317-A321 WeakPolarHBondContact O-CB 3.41Å; L317-A321 PolarHBondContact O-N 3.41Å
318L97.4Very high96.1Very high7 Ų731.5 Ų31.54%0.03715%0.154CC..Hα-helixtrans-59.2-41.6174.1-70.4172.7000111.1L309 R312 D314 Q315 V320 A321 V322 L350 L358L309-L318 WeakPolarHBondContact O-CD2 3.4Å; R312-L318 HydrophobicContact CB-CD2 4.44Å; R312-L318 WeakPolarHBondContact O-CD1 3.37Å; D314-L318 WeakPolarHBondContact O-CG 3.5Å; D314-L318 PolarHBondContact O-N 3Å; Q315-L318 PolarHBondContact O-N 2.86Å; L318-V320 PolarHBondContact O-N 2.91Å; L318-A321 PolarHBondContact O-N 3.02Å; L318-V322 WeakPolarHBondContact O-CB 3.44Å; L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.37Å; L318-V322 PolarHBondContact O-N 3.08Å; L318-L350 HydrophobicContact CD1-CD2 3.87Å; L318-L350 HydrophobicContact CD2-CD1 4.26Å; L318-L350 HydrophobicContact CD2-CD2 4.28Å; L318-L358 HydrophobicContact CB-CD1 3.89Å; L318-L358 HydrophobicContact CB-CD2 3.91Å; L318-L358 HydrophobicContact CD1-CD2 4.06Å
319L96.1Very high96.1Very high13 Ų1328.9 Ų28.97%0.06814%0.143CC..Hα-helixtrans-60.9-43.3178176.161.3000111.5Q315 E316 L317 S323 E357 L358 A361Q315-L319 WeakPolarHBondContact O-CB 3.32Å; Q315-L319 PolarHBondContact O-N 3.26Å; E316-L319 WeakPolarHBondContact O-CB 3.46Å; E316-L319 PolarHBondContact O-N 3.22Å; L317-L319 VanDerWaalsContact C-N 3.28Å; L317-L319 PolarHBondContact O-N 3.03Å; L319-S323 WeakPolarHBondContact O-CB 3.38Å; L319-S323 PolarHBondContact O-N 3.33Å; L319-S323 PolarHBondContact O-OG 3.19Å; L319-E357 HydrophobicContact CD1-CB 4.37Å; L319-E357 HydrophobicContact CD2-CB 4.22Å; L319-L358 HydrophobicContact CB-CD1 4.39Å; L319-A361 HydrophobicContact CD1-CB 3.83Å
320V95.8Very high95.8Very high0 Ų034.6 Ų34.60%017%0.172CC..Hα-helixtrans-63.2-46.9175.1-160.50000110.8K278 L281 Y282 E316 L317 L318 S323 F324K278-V320 HydrophobicContact CG-CG2 4.13Å; L281-V320 HydrophobicContact CB-CB 4.47Å; L281-V320 HydrophobicContact CB-CG1 3.68Å; Y282-V320 HydrophobicContact CD1-CG1 3.82Å; Y282-V320 HydrophobicContact CD2-CG1 4.14Å; Y282-V320 HydrophobicContact CD2-CG2 4.1Å; Y282-V320 HydrophobicContact CE1-CB 4.39Å; Y282-V320 HydrophobicContact CE1-CG1 3.79Å; Y282-V320 HydrophobicContact CE1-CG2 4.03Å; Y282-V320 HydrophobicContact CE2-CB 4.39Å; Y282-V320 HydrophobicContact CE2-CG1 4.13Å; Y282-V320 HydrophobicContact CE2-CG2 3.39Å; Y282-V320 HydrophobicContact CG-CG1 3.96Å; Y282-V320 VanDerWaalsContact OH-CG2 3.23Å; Y282-V320 WeakPolarHBondContact OH-CG2 3.4Å; E316-V320 WeakPolarHBondContact O-CG2 3.33Å; E316-V320 PolarHBondContact O-N 3.02Å; E316-V320 VanDerWaalsContact O-N 3.1Å; L317-V320 PolarHBondContact O-N 3.25Å; L318-V320 PolarHBondContact O-N 2.91Å; V320-S323 PolarHBondContact O-N 3.5Å; V320-F324 WeakPolarHBondContact O-CB 3.24Å; V320-F324 PolarHBondContact O-N 3.3Å
321A98.3Very high95.5Very high0 Ų038.3 Ų38.30%019%0.188CC..Hα-helixtrans-62.9-47.3-176.700000111.6L306 L309 L310 L317 L318 F324 L325L306-A321 HydrophobicContact CD2-CB 4.24Å; L309-A321 HydrophobicContact CB-CB 4.12Å; L310-A321 HydrophobicContact CD2-CB 4.26Å; L317-A321 WeakPolarHBondContact O-CB 3.41Å; L317-A321 PolarHBondContact O-N 3.41Å; L318-A321 PolarHBondContact O-N 3.02Å; A321-F324 PolarHBondContact O-N 3.45Å; A321-L325 WeakPolarHBondContact O-CG 3.49Å; A321-L325 PolarHBondContact O-N 3.4Å
322V98.3Very high95.5Very high0 Ų038.8 Ų38.80%019%0.193CC..Hα-helixtrans-64.5-41.6176.4173.80000111L310 L318 F324 L325 K326 L347 L350 L358 A361 L365L310-V322 HydrophobicContact CD2-CG2 3.59Å; L318-V322 WeakPolarHBondContact O-CB 3.44Å; L318-V322 VanDerWaalsContact O-CG2 3.27Å; L318-V322 WeakPolarHBondContact O-CG2 3.37Å; L318-V322 PolarHBondContact O-N 3.08Å; V322-F324 VanDerWaalsContact C-N 3.3Å; V322-F324 PolarHBondContact O-N 2.86Å; V322-L325 PolarHBondContact O-N 2.87Å; V322-K326 WeakPolarHBondContact O-CB 3.33Å; V322-K326 PolarHBondContact O-N 3.11Å; V322-L347 HydrophobicContact CG2-CD2 4Å; V322-L350 HydrophobicContact CG2-CD1 3.87Å; V322-L358 HydrophobicContact CB-CD1 4.38Å; V322-L358 HydrophobicContact CG2-CD1 4.02Å; V322-A361 VanDerWaalsContact CG1-C 3.43Å; V322-A361 HydrophobicContact CG1-CB 3.81Å; V322-A361 WeakPolarHBondContact CG1-O 3.27Å; V322-L365 HydrophobicContact CG1-CB 4.33Å; V322-L365 HydrophobicContact CG1-CD2 4.12Å
323S97Very high95.6Very high31 Ų3142.9 Ų42.922%0.21721%0.213CC..Hα-helixtrans-62.8-37.8177-65.20000112.3L319 V320 K326 K327L319-S323 WeakPolarHBondContact O-CB 3.38Å; L319-S323 PolarHBondContact O-N 3.33Å; L319-S323 PolarHBondContact O-OG 3.19Å; V320-S323 PolarHBondContact O-N 3.5Å; S323-K326 WeakPolarHBondContact O-CB 3.13Å; S323-K326 PolarHBondContact O-N 3.41Å; S323-K327 PolarHBondContact O-N 3.45Å; S323-K327 VanDerWaalsContact O-N 3.14Å
324F98.2Very high95.7Very high0 Ų036.1 Ų36.10%018%0.177CC..Hα-helixtrans-70.7-47.2176.3-159.7170.8000111.2L284 L285 A288 M297 I302 L306 V320 A321 V322 K326 K327 L328L284-F324 HydrophobicContact CB-CE1 3.7Å; L284-F324 HydrophobicContact CB-CZ 4.14Å; L285-F324 HydrophobicContact CB-CD1 4.17Å; L285-F324 HydrophobicContact CB-CD2 4.46Å; L285-F324 HydrophobicContact CB-CE1 4.4Å; L285-F324 HydrophobicContact CB-CG 4.22Å; L285-F324 HydrophobicContact CD1-CB 4.1Å; L285-F324 HydrophobicContact CD1-CD2 3.62Å; L285-F324 HydrophobicContact CD1-CE2 4.2Å; L285-F324 HydrophobicContact CD1-CG 3.89Å; A288-F324 HydrophobicContact CB-CE2 3.71Å; A288-F324 HydrophobicContact CB-CZ 4.04Å; M297-F324 HydrophobicContact SD-CZ 3.86Å; I302-F324 HydrophobicContact CD1-CE1 4.25Å; I302-F324 HydrophobicContact CG1-CE1 4.07Å; I302-F324 HydrophobicContact CG1-CZ 4.18Å; L306-F324 HydrophobicContact CD1-CB 3.91Å; L306-F324 HydrophobicContact CD1-CD1 3.83Å; L306-F324 HydrophobicContact CD1-CD2 4.27Å; L306-F324 HydrophobicContact CD1-CE1 4.42Å; L306-F324 HydrophobicContact CD1-CG 3.73Å; L306-F324 HydrophobicContact CD2-CB 4.11Å; L306-F324 HydrophobicContact CD2-CD1 3.87Å; L306-F324 HydrophobicContact CD2-CG 4.29Å; L306-F324 HydrophobicContact CG-CD1 4.42Å; V320-F324 WeakPolarHBondContact O-CB 3.24Å; V320-F324 PolarHBondContact O-N 3.3Å; A321-F324 PolarHBondContact O-N 3.45Å; V322-F324 VanDerWaalsContact C-N 3.3Å; V322-F324 PolarHBondContact O-N 2.86Å; F324-K326 VanDerWaalsContact C-N 3.26Å; F324-K326 PolarHBondContact O-N 3.42Å; F324-K327 WeakPolarHBondContact O-CB 3.44Å; F324-K327 PolarHBondContact O-N 2.82Å; F324-K327 VanDerWaalsContact O-N 3.07Å; F324-L328 HydrophobicContact CD2-CD1 4.1Å; F324-L328 HydrophobicContact CD2-CD2 4.27Å; F324-L328 HydrophobicContact CD2-CG 3.88Å; F324-L328 HydrophobicContact CE2-CD1 4.15Å; F324-L328 HydrophobicContact CE2-CD2 3.89Å; F324-L328 HydrophobicContact CE2-CG 3.99Å; F324-L328 WeakPolarHBondContact O-CG 3.22Å; F324-L328 PolarHBondContact O-N 3.5Å
325L98.6Very high95.8Very high0 Ų035.7 Ų35.70%017%0.173CC..Hα-helixtrans-56.5-41.4172.8-72170.4000111.6V303 L306 V307 L310 A321 V322 K327 L328 S329 M338 L365V303-L325 HydrophobicContact CG1-CD2 4.29Å; L306-L325 HydrophobicContact CB-CD1 4.13Å; L306-L325 HydrophobicContact CB-CD2 3.62Å; L306-L325 HydrophobicContact CB-CG 3.74Å; L306-L325 HydrophobicContact CD1-CD2 3.93Å; L306-L325 HydrophobicContact CD1-CG 4.09Å; L306-L325 HydrophobicContact CG-CD2 4.45Å; V307-L325 HydrophobicContact CG2-CD1 4.16Å; V307-L325 HydrophobicContact CG2-CD2 4Å; L310-L325 HydrophobicContact CD1-CD1 3.82Å; L310-L325 HydrophobicContact CD2-CD1 4.12Å; L310-L325 HydrophobicContact CG-CD1 4.19Å; A321-L325 WeakPolarHBondContact O-CG 3.49Å; A321-L325 PolarHBondContact O-N 3.4Å; V322-L325 PolarHBondContact O-N 2.87Å; L325-K327 VanDerWaalsContact C-N 3.34Å; L325-K327 PolarHBondContact O-N 2.93Å; L325-L328 PolarHBondContact O-N 3.36Å; L325-S329 WeakPolarHBondContact O-CB 3.43Å; L325-S329 PolarHBondContact O-N 3.5Å; L325-M338 HydrophobicContact CB-CE 4.15Å; L325-M338 HydrophobicContact CB-SD 4.49Å; L325-M338 HydrophobicContact CD2-CE 3.73Å; L325-M338 HydrophobicContact CD2-CG 4.17Å; L325-M338 HydrophobicContact CD2-SD 4.2Å; L325-M338 WeakPolarHBondContact O-CE 3.4Å; L325-L365 HydrophobicContact CB-CD1 4.33Å; L325-L365 HydrophobicContact CB-CD2 3.56Å; L325-L365 HydrophobicContact CD1-CD2 4.27Å
326K97.7Very high95.9Very high60 Ų6035.2 Ų35.226%0.26117%0.173SC..Hα-helixtrans-55.7-47.5174.6-172.7-164.370.21730111.3V322 S323 F324 S329 R364 L365 N368V322-K326 WeakPolarHBondContact O-CB 3.33Å; V322-K326 PolarHBondContact O-N 3.11Å; S323-K326 WeakPolarHBondContact O-CB 3.13Å; S323-K326 PolarHBondContact O-N 3.41Å; F324-K326 VanDerWaalsContact C-N 3.26Å; F324-K326 PolarHBondContact O-N 3.42Å; K326-S329 PolarHBondContact O-N 2.8Å; K326-S329 PolarHBondContact O-OG 3.3Å; K326-R364 HydrophobicContact CD-CB 3.77Å; K326-R364 HydrophobicContact CG-CB 4.41Å; K326-L365 HydrophobicContact CB-CB 4.21Å; K326-N368 PolarHBondContact O-ND2 2.87Å
327K95.4Very high96.2Very high52 Ų5232.6 Ų32.623%0.22616%0.161CC..Hα-helixtrans-61.4-47.8175.9174.5174.7161.447.20111.9L285 A288 E294 S323 F324 L325 S329 I330L285-K327 HydrophobicContact CD1-CB 4.3Å; L285-K327 HydrophobicContact CD1-CD 3.72Å; A288-K327 HydrophobicContact CB-CD 4.44Å; A288-K327 WeakPolarHBondContact O-CE 3.4Å; A288-K327 PolarHBondContact O-NZ 3.25Å; E294-K327 IonicContact OE2-NZ 2.83Å; E294-K327 PolarHBondContact OE2-NZ 2.99Å; E294-K327 VanDerWaalsContact OE2-NZ 3.13Å; S323-K327 PolarHBondContact O-N 3.45Å; S323-K327 VanDerWaalsContact O-N 3.14Å; F324-K327 WeakPolarHBondContact O-CB 3.44Å; F324-K327 PolarHBondContact O-N 2.82Å; F324-K327 VanDerWaalsContact O-N 3.07Å; L325-K327 VanDerWaalsContact C-N 3.34Å; L325-K327 PolarHBondContact O-N 2.93Å; K327-S329 PolarHBondContact O-N 3.5Å; K327-I330 WeakPolarHBondContact O-CG1 3.43Å; K327-I330 PolarHBondContact O-N 3.36Å
328L96.2Very high96.3Very high0 Ų032.6 Ų32.60%016%0.161CC..Hα-helixtrans-62.6-34-179.5-64.6-178.8000111.8E294 I302 V303 L306 F324 L325 I330 F331 N334 M338E294-L328 VanDerWaalsContact CD-CD2 3.47Å; E294-L328 HydrophobicContact CG-CD2 3.39Å; E294-L328 WeakPolarHBondContact OE1-CD2 3.47Å; I302-L328 HydrophobicContact CG2-CD1 3.9Å; V303-L328 HydrophobicContact CG2-CD1 3.89Å; L306-L328 HydrophobicContact CD1-CD1 3.71Å; F324-L328 HydrophobicContact CD2-CD1 4.1Å; F324-L328 HydrophobicContact CD2-CD2 4.27Å; F324-L328 HydrophobicContact CD2-CG 3.88Å; F324-L328 HydrophobicContact CE2-CD1 4.15Å; F324-L328 HydrophobicContact CE2-CD2 3.89Å; F324-L328 HydrophobicContact CE2-CG 3.99Å; F324-L328 WeakPolarHBondContact O-CG 3.22Å; F324-L328 PolarHBondContact O-N 3.5Å; L325-L328 PolarHBondContact O-N 3.36Å; L328-I330 PolarHBondContact O-N 3.41Å; L328-F331 PolarHBondContact O-N 3.37Å; L328-F331 VanDerWaalsContact O-N 3.15Å; L328-N334 HydrophobicContact CB-CB 4.12Å; L328-N334 WeakPolarHBondContact O-CB 3.48Å; L328-N334 PolarHBondContact O-ND2 2.87Å; L328-M338 HydrophobicContact CB-CE 3.71Å
329S96.8Very high96.2Very high0 Ų033.4 Ų33.40%017%0.169CC..THydrogen-bonded Turntrans-65.7-3.5-176.772.30000114.4L325 K326 K327 F331 K335 N368L325-S329 WeakPolarHBondContact O-CB 3.43Å; L325-S329 PolarHBondContact O-N 3.5Å; K326-S329 PolarHBondContact O-N 2.8Å; K326-S329 PolarHBondContact O-OG 3.3Å; K327-S329 PolarHBondContact O-N 3.5Å; S329-F331 VanDerWaalsContact C-N 3.27Å; S329-K335 WeakPolarHBondContact O-CE 3.39Å; S329-K335 WeakPolarHBondContact O-CG 3.27Å; S329-N368 VanDerWaalsContact OG-CB 3.27Å; S329-N368 WeakPolarHBondContact OG-CB 3.28Å; S329-N368 PolarHBondContact OG-ND2 3.36Å
330I91.9Very high96.2Very high120 Ų12040.2 Ų40.262%0.61520%0.201SC*.THydrogen-bonded Turntrans-68.2-31.8172.7-60.9170.8000110.5K327 L328K327-I330 WeakPolarHBondContact O-CG1 3.43Å; K327-I330 PolarHBondContact O-N 3.36Å; L328-I330 PolarHBondContact O-N 3.41Å
331F92.2Very high96.3Very high79 Ų7941.4 Ų41.435%0.34621%0.211SC..SBendtrans-93.4136.3-179.6-62.4-80000112T291 E294 L328 S329 E333 N334 K335T291-F331 HydrophobicContact CG2-CZ 4.07Å; E294-F331 WeakPolarHBondContact OE1-CD2 3.48Å; E294-F331 VanDerWaalsContact OE1-CE2 3.23Å; E294-F331 WeakPolarHBondContact OE1-CE2 3.06Å; L328-F331 PolarHBondContact O-N 3.37Å; L328-F331 VanDerWaalsContact O-N 3.15Å; S329-F331 VanDerWaalsContact C-N 3.27Å; F331-E333 VanDerWaalsContact C-N 3.29Å; F331-E333 PolarHBondContact O-N 2.91Å; F331-N334 HydrophobicContact CB-CB 4.49Å; F331-N334 PolarHBondContact O-N 3.33Å; F331-K335 PolarHBondContact O-N 3.42Å; F331-K335 VanDerWaalsContact O-N 3.1Å
332L93.5Very high96.1Very high105 Ų10543.1 Ų43.155%0.5523%0.225SC..Hα-helixtrans-58.3-41.6-176.517861.5000111.9N334 K335 N336L332-N334 VanDerWaalsContact C-N 3.32Å; L332-N334 PolarHBondContact O-N 3.49Å; L332-K335 WeakPolarHBondContact O-CB 3.45Å; L332-K335 PolarHBondContact O-N 3.23Å; L332-K335 VanDerWaalsContact O-N 3.1Å; L332-N336 PolarHBondContact O-N 3.39Å; L332-N336 PolarHBondContact O-OD1 3.11Å
333E94.8Very high96.1Very high95 Ų9543.1 Ų43.144%0.44423%0.225SC..Hα-helixtrans-69.1-33.7-176.1-51.190.515000112.2F331 N336 D337F331-E333 VanDerWaalsContact C-N 3.29Å; F331-E333 PolarHBondContact O-N 2.91Å; E333-N336 PolarHBondContact O-N 2.88Å; E333-D337 PolarHBondContact O-N 3.27Å
334N96.1Very high96.2Very high4 Ų441.7 Ų41.72%0.02122%0.215CC..Hα-helixtrans-68.7-36.1171.2-70.7-28.6000111.5E294 R298 V303 L328 F331 L332 N336 D337 M338E294-N334 PolarHBondContact OE1-ND2 3.03Å; R298-N334 WeakPolarHBondContact CD-OD1 3.4Å; R298-N334 VanDerWaalsContact CG-OD1 3.25Å; R298-N334 WeakPolarHBondContact CG-OD1 3.35Å; V303-N334 HydrophobicContact CG2-CB 4.47Å; L328-N334 HydrophobicContact CB-CB 4.12Å; L328-N334 WeakPolarHBondContact O-CB 3.48Å; L328-N334 PolarHBondContact O-ND2 2.87Å; F331-N334 HydrophobicContact CB-CB 4.49Å; F331-N334 PolarHBondContact O-N 3.33Å; L332-N334 VanDerWaalsContact C-N 3.32Å; L332-N334 PolarHBondContact O-N 3.49Å; N334-N336 VanDerWaalsContact C-N 3.33Å; N334-D337 PolarHBondContact O-N 3.33Å; N334-M338 HydrophobicContact CB-CE 4.36Å; N334-M338 VanDerWaalsContact O-CG 3.28Å; N334-M338 WeakPolarHBondContact O-CG 3.21Å; N334-M338 PolarHBondContact O-N 3.04Å
335K95.9Very high96.1Very high30 Ų3047.9 Ų47.913%0.1324%0.244CC..Hα-helixtrans-62.8-41.3173.3-67-171-171.6-176.30111.3S329 F331 L332 M338 A339 N368 L369 L375S329-K335 WeakPolarHBondContact O-CE 3.39Å; S329-K335 WeakPolarHBondContact O-CG 3.27Å; F331-K335 PolarHBondContact O-N 3.42Å; F331-K335 VanDerWaalsContact O-N 3.1Å; L332-K335 WeakPolarHBondContact O-CB 3.45Å; L332-K335 PolarHBondContact O-N 3.23Å; L332-K335 VanDerWaalsContact O-N 3.1Å; K335-M338 WeakPolarHBondContact O-CB 3.48Å; K335-M338 PolarHBondContact O-N 3.32Å; K335-A339 PolarHBondContact O-N 3.11Å; K335-N368 WeakPolarHBondContact CE-O 3.3Å; K335-N368 PolarHBondContact NZ-O 3.41Å; K335-L369 HydrophobicContact CB-CD2 4.48Å; K335-L369 HydrophobicContact CG-CD2 4.14Å; K335-L375 HydrophobicContact CB-CD1 4.43Å
336N96Very high96Very high69 Ų6949.5 Ų49.537%0.36925%0.251SS..Hα-helixtrans-61.2-47.7175.6-65.5-14.9000110.8L332 E333 N334 M338 A339 E340L332-N336 PolarHBondContact O-N 3.39Å; L332-N336 PolarHBondContact O-OD1 3.11Å; E333-N336 PolarHBondContact O-N 2.88Å; N334-N336 VanDerWaalsContact C-N 3.33Å; N336-M338 VanDerWaalsContact C-N 3.25Å; N336-M338 PolarHBondContact O-N 3.13Å; N336-A339 WeakPolarHBondContact O-CB 3.41Å; N336-A339 PolarHBondContact O-N 3.48Å; N336-A339 VanDerWaalsContact O-N 3.08Å; N336-E340 WeakPolarHBondContact O-CG 3.5Å; N336-E340 PolarHBondContact O-N 3.36Å
337D97.6Very high96Very high19 Ų1946.7 Ų46.710%0.10224%0.238CC..Hα-helixtrans-59.1-36.6175.9-60.7-14000111.6R298 V303 E333 N334 A341R298-D337 IonicContact CZ-OD2 3.19Å; R298-D337 IonicContact NE-OD2 2.62Å; R298-D337 PolarHBondContact NE-OD2 3.4Å; R298-D337 IonicContact NH2-OD1 2.76Å; R298-D337 PolarHBondContact NH2-OD1 2.85Å; R298-D337 VanDerWaalsContact NH2-OD1 3.12Å; R298-D337 IonicContact NH2-OD2 3.22Å; R298-D337 PolarHBondContact NH2-OD2 3.49Å; V303-D337 HydrophobicContact CB-CB 4.05Å; V303-D337 HydrophobicContact CG1-CB 3.83Å; V303-D337 HydrophobicContact CG2-CB 4.23Å; E333-D337 PolarHBondContact O-N 3.27Å; N334-D337 PolarHBondContact O-N 3.33Å; D337-A341 VanDerWaalsContact O-CB 3.32Å; D337-A341 WeakPolarHBondContact O-CB 3.32Å; D337-A341 PolarHBondContact O-N 3.35Å; D337-A341 VanDerWaalsContact O-N 3.09Å
338M98.3Very high96.1Very high0 Ų044.3 Ų44.30%023%0.229CC..Hα-helixtrans-68.9-38.2174.8-72.6175.8-153.800112.8V303 L325 L328 N334 K335 N336 A341 A342 A343 L365 L369V303-M338 HydrophobicContact CG1-CB 4.32Å; V303-M338 HydrophobicContact CG1-CG 3.49Å; V303-M338 VanDerWaalsContact CG1-CG 3.49Å; L325-M338 HydrophobicContact CB-CE 4.15Å; L325-M338 HydrophobicContact CB-SD 4.49Å; L325-M338 HydrophobicContact CD2-CE 3.73Å; L325-M338 HydrophobicContact CD2-CG 4.17Å; L325-M338 HydrophobicContact CD2-SD 4.2Å; L325-M338 WeakPolarHBondContact O-CE 3.4Å; L328-M338 HydrophobicContact CB-CE 3.71Å; N334-M338 HydrophobicContact CB-CE 4.36Å; N334-M338 VanDerWaalsContact O-CG 3.28Å; N334-M338 WeakPolarHBondContact O-CG 3.21Å; N334-M338 PolarHBondContact O-N 3.04Å; K335-M338 WeakPolarHBondContact O-CB 3.48Å; K335-M338 PolarHBondContact O-N 3.32Å; N336-M338 VanDerWaalsContact C-N 3.25Å; N336-M338 PolarHBondContact O-N 3.13Å; M338-A341 PolarHBondContact O-N 3.34Å; M338-A342 PolarHBondContact O-N 3.23Å; M338-A343 HydrophobicContact CB-CB 3.9Å; M338-A343 HydrophobicContact CG-CB 4.43Å; M338-A343 VanDerWaalsContact O-CB 3.28Å; M338-A343 WeakPolarHBondContact O-CB 3.26Å; M338-A343 PolarHBondContact O-N 3.07Å; M338-L365 HydrophobicContact SD-CD1 4.2Å; M338-L369 HydrophobicContact SD-CD2 3.93Å
339A95.9Very high96Very high25 Ų2550 Ų5021%0.20725%0.25CS..Hα-helixtrans-64.4-45.4176.600000110.9K335 N336 A341 A342 L375K335-A339 PolarHBondContact O-N 3.11Å; N336-A339 WeakPolarHBondContact O-CB 3.41Å; N336-A339 PolarHBondContact O-N 3.48Å; N336-A339 VanDerWaalsContact O-N 3.08Å; A339-A341 VanDerWaalsContact C-N 3.29Å; A339-A341 PolarHBondContact O-N 3.4Å; A339-A342 PolarHBondContact O-N 2.96Å; A339-L375 HydrophobicContact CB-CD1 4.49Å; A339-L375 HydrophobicContact CB-CD2 3.7Å; A339-L375 HydrophobicContact CB-CG 4.15Å
340E96.4Very high95.9Very high156 Ų15650.7 Ų50.773%0.72925%0.254SS*.Hα-helixtrans-63.1-35.1175.9-70.5179.7-17400112.3N336 A342N336-E340 WeakPolarHBondContact O-CG 3.5Å; N336-E340 PolarHBondContact O-N 3.36Å; E340-A342 PolarHBondContact O-N 3.14Å
341A96.5Very high95.9Very high25 Ų2545.2 Ų45.221%0.20723%0.225CC..THydrogen-bonded Turntrans-81.35177.900000114.3V307 D337 M338 A339 A343V307-A341 HydrophobicContact CB-CB 4.05Å; V307-A341 HydrophobicContact CG1-CB 3.85Å; V307-A341 VanDerWaalsContact CG1-O 3.29Å; V307-A341 WeakPolarHBondContact CG1-O 3.39Å; V307-A341 HydrophobicContact CG2-CB 4.08Å; D337-A341 VanDerWaalsContact O-CB 3.32Å; D337-A341 WeakPolarHBondContact O-CB 3.32Å; D337-A341 PolarHBondContact O-N 3.35Å; D337-A341 VanDerWaalsContact O-N 3.09Å; M338-A341 PolarHBondContact O-N 3.34Å; A339-A341 VanDerWaalsContact C-N 3.29Å; A339-A341 PolarHBondContact O-N 3.4Å; A341-A343 VanDerWaalsContact C-N 3.31Å; A341-A343 PolarHBondContact O-N 2.95Å
342A95.8Very high95.8Very high36 Ų3646 Ų4630%0.29824%0.239SC..THydrogen-bonded Turntrans54.941-176.700000113.6M338 A339 E340 V344 E345M338-A342 PolarHBondContact O-N 3.23Å; A339-A342 PolarHBondContact O-N 2.96Å; E340-A342 PolarHBondContact O-N 3.14Å; A342-V344 VanDerWaalsContact C-N 3.27Å; A342-V344 PolarHBondContact O-N 2.9Å; A342-E345 PolarHBondContact O-N 3.25Å
343A98.1Very high95.5Very high0 Ų042.1 Ų42.10%022%0.22CC..Hα-helixtrans-57.9-39-177.100000112.8V307 M338 A341 E345 K346 L347V307-A343 HydrophobicContact CG1-CB 4.22Å; V307-A343 HydrophobicContact CG2-CB 3.79Å; M338-A343 HydrophobicContact CB-CB 3.9Å; M338-A343 HydrophobicContact CG-CB 4.43Å; M338-A343 VanDerWaalsContact O-CB 3.28Å; M338-A343 WeakPolarHBondContact O-CB 3.26Å; M338-A343 PolarHBondContact O-N 3.07Å; A341-A343 VanDerWaalsContact C-N 3.31Å; A341-A343 PolarHBondContact O-N 2.95Å; A343-E345 PolarHBondContact O-N 3.49Å; A343-K346 PolarHBondContact O-N 3.48Å; A343-K346 VanDerWaalsContact O-N 3.16Å; A343-L347 VanDerWaalsContact O-CG 3.27Å; A343-L347 WeakPolarHBondContact O-CG 3.41Å; A343-L347 PolarHBondContact O-N 3.09Å
344V98.1Very high95.2Very high0 Ų045.3 Ų45.30%024%0.24CC..Hα-helixtrans-59.6-43.2-176.6173.90000112.4A342 K346 L347 A348 L369 L375 Q378 M379 A382 L384A342-V344 VanDerWaalsContact C-N 3.27Å; A342-V344 PolarHBondContact O-N 2.9Å; V344-K346 VanDerWaalsContact C-N 3.3Å; V344-K346 PolarHBondContact O-N 3.14Å; V344-L347 PolarHBondContact O-N 3.37Å; V344-A348 PolarHBondContact O-N 3.17Å; V344-L369 HydrophobicContact CG2-CD1 4.11Å; V344-L375 HydrophobicContact CG2-CD2 3.62Å; V344-Q378 HydrophobicContact CB-CB 4.15Å; V344-Q378 HydrophobicContact CG1-CB 4.14Å; V344-Q378 HydrophobicContact CG2-CB 4.36Å; V344-M379 VanDerWaalsContact CG1-CA 3.49Å; V344-M379 HydrophobicContact CG1-CB 4.11Å; V344-M379 HydrophobicContact CG1-CG 3.56Å; V344-M379 HydrophobicContact CG2-CE 4.48Å; V344-M379 HydrophobicContact CG2-CG 4.36Å; V344-A382 HydrophobicContact CG1-CB 4.32Å; V344-L384 HydrophobicContact CG1-CD1 4.04Å
345E96.2Very high94.9Very high131 Ų13146.3 Ų46.361%0.61225%0.245SC*.Hα-helixtrans-61-41.3178.3-173.5-175.3164.600111.2A342 A343 A348A342-E345 PolarHBondContact O-N 3.25Å; A343-E345 PolarHBondContact O-N 3.49Å; E345-A348 PolarHBondContact O-N 3.41Å
346K96.8Very high94.7Very high34 Ų3448.9 Ų48.915%0.14826%0.264CS..Hα-helixtrans-70.7-41.5179.1-55.3-171-167-143.70111.7V307 L310 E311 A343 V344 A348 R349V307-K346 HydrophobicContact CG1-CD 3.75Å; V307-K346 WeakPolarHBondContact O-CD 3.39Å; L310-K346 HydrophobicContact CB-CB 3.77Å; L310-K346 HydrophobicContact CB-CD 4.26Å; L310-K346 HydrophobicContact CD1-CB 3.97Å; E311-K346 HydrophobicContact CG-CD 4.24Å; E311-K346 IonicContact OE1-NZ 3.78Å; E311-K346 PolarHBondContact OE1-NZ 3.19Å; A343-K346 PolarHBondContact O-N 3.48Å; A343-K346 VanDerWaalsContact O-N 3.16Å; V344-K346 VanDerWaalsContact C-N 3.3Å; V344-K346 PolarHBondContact O-N 3.14Å; K346-A348 VanDerWaalsContact C-N 3.3Å; K346-A348 PolarHBondContact O-N 2.94Å; K346-R349 WeakPolarHBondContact O-CB 3.4Å; K346-R349 PolarHBondContact O-N 3.27Å
347L97.9Very high94.5Very high0 Ų049.3 Ų49.30%026%0.264CS..Hα-helixtrans-62.9-36176.1-67.9169.2000112.2L310 V322 A343 V344 R349 L350 T362 L365 L366 L369L310-L347 HydrophobicContact CD1-CD2 3.78Å; L310-L347 HydrophobicContact CD1-CG 4Å; L310-L347 HydrophobicContact CD2-CD2 4.44Å; V322-L347 HydrophobicContact CG2-CD2 4Å; A343-L347 VanDerWaalsContact O-CG 3.27Å; A343-L347 WeakPolarHBondContact O-CG 3.41Å; A343-L347 PolarHBondContact O-N 3.09Å; V344-L347 PolarHBondContact O-N 3.37Å; L347-R349 PolarHBondContact O-N 3.41Å; L347-L350 HydrophobicContact CD2-CD1 4.42Å; L347-L350 WeakPolarHBondContact O-CB 3.31Å; L347-L350 PolarHBondContact O-N 2.82Å; L347-T362 HydrophobicContact CB-CG2 4.17Å; L347-T362 HydrophobicContact CD2-CG2 4.16Å; L347-L365 HydrophobicContact CD1-CD2 3.6Å; L347-L365 HydrophobicContact CD1-CG 3.81Å; L347-L365 HydrophobicContact CD2-CD2 3.69Å; L347-L365 HydrophobicContact CG-CD2 4.28Å; L347-L366 HydrophobicContact CB-CD2 4.05Å; L347-L366 HydrophobicContact CD1-CD2 4.01Å; L347-L369 HydrophobicContact CD1-CD1 3.92Å
348A96.3Very high94.3Very high3 Ų348.5 Ų48.53%0.02526%0.26CS..Hα-helixtrans-57.8-35.4177.800000112.3V344 E345 K346 L350 A382 L384 R387V344-A348 PolarHBondContact O-N 3.17Å; E345-A348 PolarHBondContact O-N 3.41Å; K346-A348 VanDerWaalsContact C-N 3.3Å; K346-A348 PolarHBondContact O-N 2.94Å; A348-L350 PolarHBondContact O-N 3.46Å; A348-A382 HydrophobicContact CB-CB 4.02Å; A348-L384 HydrophobicContact CB-CD1 4.47Å; A348-L384 HydrophobicContact CB-CD2 3.62Å; A348-L384 HydrophobicContact CB-CG 3.93Å; A348-R387 PolarHBondContact O-NH1 3.33Å
349R94.8Very high94.2Very high120 Ų12049.5 Ų49.545%0.45327%0.265SS..THydrogen-bonded Turntrans-67.5-20.4176.1-63.1-173.7-67114.410.6113.7L310 K346 L347 P352L310-R349 PolarHBondContact O-NH2 3.02Å; K346-R349 WeakPolarHBondContact O-CB 3.4Å; K346-R349 PolarHBondContact O-N 3.27Å; L347-R349 PolarHBondContact O-N 3.41Å; R349-P352 WeakPolarHBondContact O-CD 3.32Å
350L94.9Very high94.1Very high14 Ų1449.1 Ų49.17%0.07326%0.26CS..THydrogen-bonded Turntrans-89.6-16.8-177.1-53.9-173.4000113.6L310 L318 V322 L347 A348 C353 T362L310-L350 HydrophobicContact CD2-CD1 4.07Å; L318-L350 HydrophobicContact CD1-CD2 3.87Å; L318-L350 HydrophobicContact CD2-CD1 4.26Å; L318-L350 HydrophobicContact CD2-CD2 4.28Å; V322-L350 HydrophobicContact CG2-CD1 3.87Å; L347-L350 HydrophobicContact CD2-CD1 4.42Å; L347-L350 WeakPolarHBondContact O-CB 3.31Å; L347-L350 PolarHBondContact O-N 2.82Å; A348-L350 PolarHBondContact O-N 3.46Å; L350-C353 WeakPolarHBondContact O-CB 3.28Å; L350-C353 PolarHBondContact O-SG 3.44Å; L350-T362 HydrophobicContact CB-CG2 4.27Å
351L91.9Very high94Very high4 Ų442.1 Ų42.12%0.02123%0.229CC..THydrogen-bonded Turntrans-60.3-42.4178.1-72.3-173.9000114.9C353 Q359 T362 L366 L384 R387 L388 L391L351-C353 PolarHBondContact O-N 3.3Å; L351-Q359 PolarHBondContact O-NE2 3.32Å; L351-T362 HydrophobicContact CD2-CG2 3.77Å; L351-T362 HydrophobicContact CG-CG2 4.34Å; L351-L366 HydrophobicContact CD1-CD1 4.13Å; L351-L366 HydrophobicContact CD2-CD1 4.15Å; L351-L366 HydrophobicContact CG-CD1 4.32Å; L351-L384 HydrophobicContact CD1-CD2 3.32Å; L351-L384 HydrophobicContact CG-CD2 4.29Å; L351-R387 HydrophobicContact CD1-CB 4.05Å; L351-L388 HydrophobicContact CD1-CD2 3.97Å; L351-L388 HydrophobicContact CD1-CG 4.29Å; L351-L391 HydrophobicContact CD2-CD1 4.14Å
352P89.3Confident94.1Very high97 Ų9740.9 Ų40.963%0.6322%0.219SC*.THydrogen-bonded Turntrans-82.150.217836.1-37.4000111.8R349R349-P352 WeakPolarHBondContact O-CD 3.32Å
353C87.9Confident94.1Very high23 Ų2339.2 Ų39.216%0.15521%0.205CC..  trans-108.5148.9175.471.70000111.7L350 L351 H355L350-C353 WeakPolarHBondContact O-CB 3.28Å; L350-C353 PolarHBondContact O-SG 3.44Å; L351-C353 PolarHBondContact O-N 3.3Å; C353-H355 PolarHBondContact O-N 3.46Å
354D87.8Confident94.1Very high161 Ų16141.9 Ų41.986%0.86122%0.215SC*.SBendtrans-83.320.1178-61.4-37.4000112.9P356D354-P356 WeakPolarHBondContact O-CD 3.37Å
355H90.9Very high94.1Very high26 Ų2641.9 Ų41.912%0.1222%0.215CC..  trans-11396.7-178.6-165.8-60.9000110.7Q315 E316 C353 E357 L358 Q359Q315-H355 HydrophobicContact CB-CB 4.4Å; Q315-H355 HydrophobicContact CG-CB 4.46Å; Q315-H355 PolarHBondContact OE1-CD2 2.89Å; Q315-H355 VanDerWaalsContact OE1-CD2 3.27Å; E316-H355 IonicContact OE1-NE2 3.21Å; C353-H355 PolarHBondContact O-N 3.46Å; H355-E357 VanDerWaalsContact C-N 3.29Å; H355-E357 IonicContact CE1-OE2 3.19Å; H355-E357 PolarHBondContact O-N 3.28Å; H355-E357 VanDerWaalsContact O-N 3.15Å; H355-L358 HydrophobicContact CB-CB 4Å; H355-L358 PolarHBondContact ND1-N 2.8Å; H355-L358 PolarHBondContact O-N 3.3Å; H355-Q359 PolarHBondContact O-N 2.89Å
356P91Very high94.2Very high84 Ų8435.7 Ų35.755%0.54519%0.186SC..Hα-helixtrans-56.2-38.9-171.1-27.934.9000114.2D354 L358 Q359 S360 Q397D354-P356 WeakPolarHBondContact O-CD 3.37Å; P356-L358 PolarHBondContact O-N 3.1Å; P356-Q359 PolarHBondContact O-N 3.25Å; P356-S360 WeakPolarHBondContact O-CB 3.5Å; P356-S360 PolarHBondContact O-N 3.31Å; P356-Q397 PolarHBondContact O-NE2 3.48Å
357E91.6Very high94.2Very high77 Ų7734.9 Ų34.936%0.3618%0.183SC..Hα-helixtrans-69.8-34.2-178.4-54.4174169.200111.7K109 L319 H355 A361K109-E357 IonicContact NZ-OE1 3.39Å; K109-E357 PolarHBondContact NZ-OE1 3.07Å; L319-E357 HydrophobicContact CD1-CB 4.37Å; L319-E357 HydrophobicContact CD2-CB 4.22Å; H355-E357 VanDerWaalsContact C-N 3.29Å; H355-E357 IonicContact CE1-OE2 3.19Å; H355-E357 PolarHBondContact O-N 3.28Å; H355-E357 VanDerWaalsContact O-N 3.15Å; E357-A361 VanDerWaalsContact O-CB 3.29Å; E357-A361 WeakPolarHBondContact O-CB 3.25Å; E357-A361 PolarHBondContact O-N 3.1Å
358L94.7Very high94.2Very high2 Ų236.9 Ų36.91%0.0119%0.194CC..Hα-helixtrans-73.7-42.6176.8172.660000110.3Q315 L318 L319 V322 H355 P356 S360 A361 T362Q315-L358 HydrophobicContact CB-CD2 4.32Å; Q315-L358 HydrophobicContact CG-CD2 4.45Å; L318-L358 HydrophobicContact CB-CD1 3.89Å; L318-L358 HydrophobicContact CB-CD2 3.91Å; L318-L358 HydrophobicContact CD1-CD2 4.06Å; L319-L358 HydrophobicContact CB-CD1 4.39Å; V322-L358 HydrophobicContact CB-CD1 4.38Å; V322-L358 HydrophobicContact CG2-CD1 4.02Å; H355-L358 HydrophobicContact CB-CB 4Å; H355-L358 PolarHBondContact ND1-N 2.8Å; H355-L358 PolarHBondContact O-N 3.3Å; P356-L358 PolarHBondContact O-N 3.1Å; L358-S360 VanDerWaalsContact C-N 3.33Å; L358-S360 PolarHBondContact O-N 3.42Å; L358-A361 PolarHBondContact O-N 3.24Å; L358-T362 VanDerWaalsContact O-CB 3.27Å; L358-T362 WeakPolarHBondContact O-CB 3.29Å; L358-T362 PolarHBondContact O-N 3.17Å; L358-T362 PolarHBondContact O-OG1 3.41Å
359Q94.6Very high94.3Very high22 Ų2236.8 Ų36.810%0.10319%0.193CC..Hα-helixtrans-59.8-46175-166.3178.854.600110.6L351 H355 P356 T362 C363 L391 Q397L351-Q359 PolarHBondContact O-NE2 3.32Å; H355-Q359 PolarHBondContact O-N 2.89Å; P356-Q359 PolarHBondContact O-N 3.25Å; Q359-T362 WeakPolarHBondContact O-CB 3.46Å; Q359-T362 PolarHBondContact O-N 2.93Å; Q359-C363 PolarHBondContact O-N 3.43Å; Q359-C363 PolarHBondContact O-SG 3.18Å; Q359-L391 VanDerWaalsContact NE2-CD2 3.28Å; Q359-Q397 HydrophobicContact CG-CG 4.31Å
360S93.7Very high94.4Very high17 Ų1731 Ų3112%0.11917%0.171CC..Hα-helixtrans-63.4-46176.1-162.50000112.7P356 L358 T362 C363 R364 Q397P356-S360 WeakPolarHBondContact O-CB 3.5Å; P356-S360 PolarHBondContact O-N 3.31Å; L358-S360 VanDerWaalsContact C-N 3.33Å; L358-S360 PolarHBondContact O-N 3.42Å; S360-T362 VanDerWaalsContact C-N 3.26Å; S360-T362 PolarHBondContact O-N 3.48Å; S360-C363 PolarHBondContact O-N 2.95Å; S360-R364 VanDerWaalsContact O-CG 3.31Å; S360-R364 WeakPolarHBondContact O-CG 3.3Å; S360-R364 PolarHBondContact O-N 3.42Å; S360-Q397 PolarHBondContact OG-OE1 3.04Å
361A95.6Very high94.4Very high8 Ų833.6 Ų33.67%0.06618%0.182CC..Hα-helixtrans-60.1-39.2175.600000111.7L319 V322 E357 L358 R364 L365L319-A361 HydrophobicContact CD1-CB 3.83Å; V322-A361 VanDerWaalsContact CG1-C 3.43Å; V322-A361 HydrophobicContact CG1-CB 3.81Å; V322-A361 WeakPolarHBondContact CG1-O 3.27Å; E357-A361 VanDerWaalsContact O-CB 3.29Å; E357-A361 WeakPolarHBondContact O-CB 3.25Å; E357-A361 PolarHBondContact O-N 3.1Å; L358-A361 PolarHBondContact O-N 3.24Å; A361-R364 PolarHBondContact O-N 3.16Å; A361-L365 PolarHBondContact O-N 3.19Å
362T97.8Very high94.5Very high0 Ų035.4 Ų35.40%019%0.192CC..Hα-helixtrans-66-48.1177.5-58.80000110.8L347 L350 L351 L358 Q359 S360 R364 L365 L366L347-T362 HydrophobicContact CB-CG2 4.17Å; L347-T362 HydrophobicContact CD2-CG2 4.16Å; L350-T362 HydrophobicContact CB-CG2 4.27Å; L351-T362 HydrophobicContact CD2-CG2 3.77Å; L351-T362 HydrophobicContact CG-CG2 4.34Å; L358-T362 VanDerWaalsContact O-CB 3.27Å; L358-T362 WeakPolarHBondContact O-CB 3.29Å; L358-T362 PolarHBondContact O-N 3.17Å; L358-T362 PolarHBondContact O-OG1 3.41Å; Q359-T362 WeakPolarHBondContact O-CB 3.46Å; Q359-T362 PolarHBondContact O-N 2.93Å; S360-T362 VanDerWaalsContact C-N 3.26Å; S360-T362 PolarHBondContact O-N 3.48Å; T362-R364 VanDerWaalsContact C-N 3.33Å; T362-R364 PolarHBondContact O-N 2.8Å; T362-L365 PolarHBondContact O-N 2.97Å; T362-L366 HydrophobicContact CG2-CD1 4.17Å; T362-L366 WeakPolarHBondContact O-CG 3.15Å; T362-L366 PolarHBondContact O-N 3.31Å
363C96.9Very high94.8Very high0 Ų033 Ų330%018%0.18CC..Hα-helixtrans-60.1-40.6175.8-74.60000112.2Q359 S360 L366 L367 L400Q359-C363 PolarHBondContact O-N 3.43Å; Q359-C363 PolarHBondContact O-SG 3.18Å; S360-C363 PolarHBondContact O-N 2.95Å; C363-L366 PolarHBondContact O-N 3.4Å; C363-L367 WeakPolarHBondContact O-CB 3.43Å; C363-L367 PolarHBondContact O-N 2.72Å; C363-L400 HydrophobicContact CB-CB 3.87Å; C363-L400 HydrophobicContact CB-CD1 4.01Å
364R97.2Very high95.1Very high56 Ų5634.9 Ų34.921%0.21120%0.198CC..Hα-helixtrans-65.9-39.6176-70.8176.6-174.7-171.24.5112.8Q106 E107 K326 S360 A361 T362 L367 N368 L400Q106-R364 PolarHBondContact O-NH2 2.92Å; E107-R364 IonicContact OE1-CZ 2.91Å; E107-R364 IonicContact OE1-NE 3.46Å; E107-R364 IonicContact OE1-NH1 3.97Å; E107-R364 PolarHBondContact OE1-NH1 3.45Å; E107-R364 IonicContact OE1-NH2 3.26Å; E107-R364 PolarHBondContact OE1-NH2 3.49Å; K326-R364 HydrophobicContact CD-CB 3.77Å; K326-R364 HydrophobicContact CG-CB 4.41Å; S360-R364 VanDerWaalsContact O-CG 3.31Å; S360-R364 WeakPolarHBondContact O-CG 3.3Å; S360-R364 PolarHBondContact O-N 3.42Å; A361-R364 PolarHBondContact O-N 3.16Å; T362-R364 VanDerWaalsContact C-N 3.33Å; T362-R364 PolarHBondContact O-N 2.8Å; R364-L367 WeakPolarHBondContact O-CB 3.29Å; R364-L367 PolarHBondContact O-N 3.01Å; R364-N368 PolarHBondContact O-N 3.25Å; R364-L400 HydrophobicContact CG-CD1 3.76Å; R364-L400 HydrophobicContact CG-CD2 3.76Å; R364-L400 HydrophobicContact CG-CG 4.44Å
365L98.3Very high95.6Very high1 Ų127.3 Ų27.31%0.00516%0.157CC..Hα-helixtrans-65.3-46.1173.3173.354.9000110.8V322 L325 K326 M338 L347 A361 T362 L367 N368 L369V322-L365 HydrophobicContact CG1-CB 4.33Å; V322-L365 HydrophobicContact CG1-CD2 4.12Å; L325-L365 HydrophobicContact CB-CD1 4.33Å; L325-L365 HydrophobicContact CB-CD2 3.56Å; L325-L365 HydrophobicContact CD1-CD2 4.27Å; K326-L365 HydrophobicContact CB-CB 4.21Å; M338-L365 HydrophobicContact SD-CD1 4.2Å; L347-L365 HydrophobicContact CD1-CD2 3.6Å; L347-L365 HydrophobicContact CD1-CG 3.81Å; L347-L365 HydrophobicContact CD2-CD2 3.69Å; L347-L365 HydrophobicContact CG-CD2 4.28Å; A361-L365 PolarHBondContact O-N 3.19Å; T362-L365 PolarHBondContact O-N 2.97Å; L365-L367 VanDerWaalsContact C-N 3.26Å; L365-L367 PolarHBondContact O-N 3.36Å; L365-N368 WeakPolarHBondContact O-CB 3.27Å; L365-N368 PolarHBondContact O-N 2.84Å; L365-N368 VanDerWaalsContact O-N 3.13Å; L365-L369 HydrophobicContact CD1-CD1 4.07Å; L365-L369 HydrophobicContact CD1-CD2 4.32Å; L365-L369 HydrophobicContact CD1-CG 3.97Å; L365-L369 HydrophobicContact CG-CD1 4.2Å; L365-L369 HydrophobicContact CG-CG 4.48Å; L365-L369 VanDerWaalsContact O-CG 3.32Å; L365-L369 WeakPolarHBondContact O-CG 3.35Å; L365-L369 PolarHBondContact O-N 3.1Å
366L98.5Very high95.9Very high0 Ų027.5 Ų27.50%016%0.157CC..Hα-helixtrans-58.3-39.3174.6-70.1172000111.5L347 L351 T362 C363 L369 S370 M379 L384 V404L347-L366 HydrophobicContact CB-CD2 4.05Å; L347-L366 HydrophobicContact CD1-CD2 4.01Å; L351-L366 HydrophobicContact CD1-CD1 4.13Å; L351-L366 HydrophobicContact CD2-CD1 4.15Å; L351-L366 HydrophobicContact CG-CD1 4.32Å; T362-L366 HydrophobicContact CG2-CD1 4.17Å; T362-L366 WeakPolarHBondContact O-CG 3.15Å; T362-L366 PolarHBondContact O-N 3.31Å; C363-L366 PolarHBondContact O-N 3.4Å; L366-L369 PolarHBondContact O-N 3.2Å; L366-S370 VanDerWaalsContact O-CB 3.32Å; L366-S370 WeakPolarHBondContact O-CB 3.21Å; L366-S370 PolarHBondContact O-N 3.12Å; L366-S370 PolarHBondContact O-OG 2.91Å; L366-M379 HydrophobicContact CB-CE 4.27Å; L366-M379 HydrophobicContact CD2-CE 3.94Å; L366-M379 WeakPolarHBondContact O-CE 3.19Å; L366-L384 HydrophobicContact CD1-CD1 4.04Å; L366-L384 HydrophobicContact CD1-CD2 4.24Å; L366-L384 HydrophobicContact CD2-CD1 3.74Å; L366-V404 HydrophobicContact CB-CG2 4.42Å
367L97.6Very high96.1Very high17 Ų1724.9 Ų24.99%0.08914%0.14CC..Hα-helixtrans-58.9-49.2173.7-178.958.9000111.6C363 R364 L365 L369 S370 F371 L400 C403 V404C363-L367 WeakPolarHBondContact O-CB 3.43Å; C363-L367 PolarHBondContact O-N 2.72Å; R364-L367 WeakPolarHBondContact O-CB 3.29Å; R364-L367 PolarHBondContact O-N 3.01Å; L365-L367 VanDerWaalsContact C-N 3.26Å; L365-L367 PolarHBondContact O-N 3.36Å; L367-L369 VanDerWaalsContact C-N 3.29Å; L367-L369 PolarHBondContact O-N 3.39Å; L367-S370 PolarHBondContact O-N 3.11Å; L367-S370 VanDerWaalsContact O-N 3.15Å; L367-S370 PolarHBondContact O-OG 2.95Å; L367-F371 WeakPolarHBondContact O-CD2 3.39Å; L367-L400 HydrophobicContact CD2-CD2 4.07Å; L367-C403 HydrophobicContact CD1-CB 3.64Å; L367-C403 HydrophobicContact CD2-CB 4.3Å; L367-V404 HydrophobicContact CB-CG2 3.9Å; L367-V404 HydrophobicContact CD1-CG2 4.17Å
368N97.4Very high96.4Very high43 Ų4323.9 Ų23.923%0.2314%0.136CC..Hα-helixtrans-58.8-40.5176.4-73.6-2.6000112.7K326 S329 K335 R364 L365K326-N368 PolarHBondContact O-ND2 2.87Å; S329-N368 VanDerWaalsContact OG-CB 3.27Å; S329-N368 WeakPolarHBondContact OG-CB 3.28Å; S329-N368 PolarHBondContact OG-ND2 3.36Å; K335-N368 WeakPolarHBondContact CE-O 3.3Å; K335-N368 PolarHBondContact NZ-O 3.41Å; R364-N368 PolarHBondContact O-N 3.25Å; L365-N368 WeakPolarHBondContact O-CB 3.27Å; L365-N368 PolarHBondContact O-N 2.84Å; L365-N368 VanDerWaalsContact O-N 3.13Å
369L97.9Very high96.6Very high0 Ų023.8 Ų23.80%014%0.135CC..Hα-helixtrans-71.1-31.1179-64.3-178.7000112.3K335 M338 V344 L347 L365 L366 L367 F371 D372 L375 M379K335-L369 HydrophobicContact CB-CD2 4.48Å; K335-L369 HydrophobicContact CG-CD2 4.14Å; M338-L369 HydrophobicContact SD-CD2 3.93Å; V344-L369 HydrophobicContact CG2-CD1 4.11Å; L347-L369 HydrophobicContact CD1-CD1 3.92Å; L365-L369 HydrophobicContact CD1-CD1 4.07Å; L365-L369 HydrophobicContact CD1-CD2 4.32Å; L365-L369 HydrophobicContact CD1-CG 3.97Å; L365-L369 HydrophobicContact CG-CD1 4.2Å; L365-L369 HydrophobicContact CG-CG 4.48Å; L365-L369 VanDerWaalsContact O-CG 3.32Å; L365-L369 WeakPolarHBondContact O-CG 3.35Å; L365-L369 PolarHBondContact O-N 3.1Å; L366-L369 PolarHBondContact O-N 3.2Å; L367-L369 VanDerWaalsContact C-N 3.29Å; L367-L369 PolarHBondContact O-N 3.39Å; L369-F371 PolarHBondContact O-N 3.05Å; L369-D372 PolarHBondContact O-N 3.08Å; L369-L375 HydrophobicContact CB-CB 4.5Å; L369-L375 HydrophobicContact CB-CD1 4.06Å; L369-L375 HydrophobicContact CD2-CD1 3.84Å; L369-L375 HydrophobicContact CG-CD1 4.45Å; L369-L375 WeakPolarHBondContact O-CB 3.33Å; L369-M379 HydrophobicContact CB-CE 3.57Å
370S97.1Very high96.7Very high0 Ų023.3 Ų23.30%013%0.134CC..Hα-helixtrans-69.8-13.4-174.466.30000114.4L366 L367 D372 R376 H407L366-S370 VanDerWaalsContact O-CB 3.32Å; L366-S370 WeakPolarHBondContact O-CB 3.21Å; L366-S370 PolarHBondContact O-N 3.12Å; L366-S370 PolarHBondContact O-OG 2.91Å; L367-S370 PolarHBondContact O-N 3.11Å; L367-S370 VanDerWaalsContact O-N 3.15Å; L367-S370 PolarHBondContact O-OG 2.95Å; S370-D372 PolarHBondContact O-N 3.47Å; S370-R376 WeakPolarHBondContact O-CD 3.48Å; S370-R376 WeakPolarHBondContact O-CG 3.38Å; S370-R376 PolarHBondContact O-NH1 3.37Å; S370-H407 PolarHBondContact OG-ND1 3.2Å
371F94.8Very high96.9Very high67 Ų6729.8 Ų29.829%0.29416%0.162SC..THydrogen-bonded Turntrans-63.1-25.4169.4-75.8-84.5000112.7L367 L369 R376 H407 T784L367-F371 WeakPolarHBondContact O-CD2 3.39Å; L369-F371 PolarHBondContact O-N 3.05Å; F371-R376 PolarHBondContact O-NH1 3.2Å; F371-H407 AromaticContact CE1-CE1 3.73Å; F371-H407 AromaticContact CE1-NE2 3.98Å; F371-H407 AromaticContact CE2-CE1 3.67Å; F371-H407 AromaticContact CZ-CE1 3.5Å; F371-T784 HydrophobicContact CZ-CG2 4.41Å
372D94.7Very high96.9Very high42 Ų4230.7 Ų30.723%0.22517%0.169CC..SBendtrans-90.5128.2177.1-177.5-67.9000111.4L369 S370 A374 L375 R376L369-D372 PolarHBondContact O-N 3.08Å; S370-D372 PolarHBondContact O-N 3.47Å; D372-A374 PolarHBondContact O-N 3.39Å; D372-A374 WeakPolarHBondContact OD1-CA 3.42Å; D372-A374 WeakPolarHBondContact OD1-CB 3.37Å; D372-A374 PolarHBondContact OD1-N 3.38Å; D372-L375 HydrophobicContact CB-CB 4.1Å; D372-L375 HydrophobicContact CB-CD1 3.88Å; D372-L375 HydrophobicContact CB-CG 4.29Å; D372-L375 PolarHBondContact O-N 3.27Å; D372-L375 PolarHBondContact OD1-N 3.37Å; D372-R376 WeakPolarHBondContact O-CG 3.48Å; D372-R376 PolarHBondContact O-N 2.98Å
373A94.5Very high96.8Very high47 Ų4732.1 Ų32.139%0.38818%0.184SC..Hα-helixtrans-66.4-35.1-175.900000114R376 S377A373-R376 PolarHBondContact O-N 2.7Å; A373-S377 PolarHBondContact O-N 3.13Å; A373-S377 VanDerWaalsContact O-N 3.15Å
374A95.2Very high96.8Very high63 Ų6332.1 Ų32.152%0.52118%0.184SC..Hα-helixtrans-69.5-40.6177.600000110.5D372 S377 Q378D372-A374 PolarHBondContact O-N 3.39Å; D372-A374 WeakPolarHBondContact OD1-CA 3.42Å; D372-A374 WeakPolarHBondContact OD1-CB 3.37Å; D372-A374 PolarHBondContact OD1-N 3.38Å; A374-S377 VanDerWaalsContact O-CB 3.31Å; A374-S377 WeakPolarHBondContact O-CB 3.39Å; A374-S377 PolarHBondContact O-N 3.49Å; A374-Q378 PolarHBondContact O-N 3.37Å; A374-Q378 VanDerWaalsContact O-N 3.07Å
375L96.9Very high96.8Very high1 Ų129.5 Ų29.51%0.00517%0.174CC..Hα-helixtrans-66.6-35.7174.6-74.7166.5000112.3K335 A339 V344 L369 D372 S377 Q378 M379K335-L375 HydrophobicContact CB-CD1 4.43Å; A339-L375 HydrophobicContact CB-CD1 4.49Å; A339-L375 HydrophobicContact CB-CD2 3.7Å; A339-L375 HydrophobicContact CB-CG 4.15Å; V344-L375 HydrophobicContact CG2-CD2 3.62Å; L369-L375 HydrophobicContact CB-CB 4.5Å; L369-L375 HydrophobicContact CB-CD1 4.06Å; L369-L375 HydrophobicContact CD2-CD1 3.84Å; L369-L375 HydrophobicContact CG-CD1 4.45Å; L369-L375 WeakPolarHBondContact O-CB 3.33Å; D372-L375 HydrophobicContact CB-CB 4.1Å; D372-L375 HydrophobicContact CB-CD1 3.88Å; D372-L375 HydrophobicContact CB-CG 4.29Å; D372-L375 PolarHBondContact O-N 3.27Å; D372-L375 PolarHBondContact OD1-N 3.37Å; L375-S377 VanDerWaalsContact C-N 3.3Å; L375-S377 PolarHBondContact O-N 2.86Å; L375-Q378 WeakPolarHBondContact O-CB 3.32Å; L375-Q378 PolarHBondContact O-N 3.13Å; L375-M379 VanDerWaalsContact O-CG 3.29Å; L375-M379 WeakPolarHBondContact O-CG 3.49Å; L375-M379 PolarHBondContact O-N 3.26Å
376R97.4Very high96.8Very high31 Ų3132.8 Ų32.812%0.11720%0.195CC..Hα-helixtrans-58.7-42170-69.8-165.6-61-87.49.2112.3S370 F371 D372 A373 Q378 M379 V380 H407S370-R376 WeakPolarHBondContact O-CD 3.48Å; S370-R376 WeakPolarHBondContact O-CG 3.38Å; S370-R376 PolarHBondContact O-NH1 3.37Å; F371-R376 PolarHBondContact O-NH1 3.2Å; D372-R376 WeakPolarHBondContact O-CG 3.48Å; D372-R376 PolarHBondContact O-N 2.98Å; A373-R376 PolarHBondContact O-N 2.7Å; R376-Q378 VanDerWaalsContact C-N 3.34Å; R376-Q378 PolarHBondContact O-N 3.32Å; R376-M379 WeakPolarHBondContact O-CB 3.32Å; R376-M379 PolarHBondContact O-N 3.32Å; R376-M379 VanDerWaalsContact O-N 3.15Å; R376-V380 WeakPolarHBondContact O-CG2 3.28Å; R376-V380 PolarHBondContact O-N 3.46Å; R376-H407 VanDerWaalsContact CD-C 3.45Å; R376-H407 WeakPolarHBondContact CD-O 3.48Å; R376-H407 PolarHBondContact NE-O 3.35Å
377S97Very high96.6Very high28 Ų2837.3 Ų37.320%0.19621%0.213CC..Hα-helixtrans-59.7-44.6174.5-170.90000111.6A373 A374 L375 M379 V380 Q381A373-S377 PolarHBondContact O-N 3.13Å; A373-S377 VanDerWaalsContact O-N 3.15Å; A374-S377 VanDerWaalsContact O-CB 3.31Å; A374-S377 WeakPolarHBondContact O-CB 3.39Å; A374-S377 PolarHBondContact O-N 3.49Å; L375-S377 VanDerWaalsContact C-N 3.3Å; L375-S377 PolarHBondContact O-N 2.86Å; S377-M379 VanDerWaalsContact C-N 3.31Å; S377-M379 PolarHBondContact O-N 3.26Å; S377-V380 PolarHBondContact O-N 2.83Å; S377-Q381 VanDerWaalsContact O-CG 3.29Å; S377-Q381 WeakPolarHBondContact O-CG 3.32Å; S377-Q381 PolarHBondContact O-N 3.07Å; S377-Q381 PolarHBondContact OG-NE2 3.35Å
378Q97.4Very high96.6Very high57 Ų5736.5 Ų36.527%0.26621%0.208SC..Hα-helixtrans-61.8-38174.4-65.4-17512.900112.3V344 A374 L375 R376 V380 Q381 A382V344-Q378 HydrophobicContact CB-CB 4.15Å; V344-Q378 HydrophobicContact CG1-CB 4.14Å; V344-Q378 HydrophobicContact CG2-CB 4.36Å; A374-Q378 PolarHBondContact O-N 3.37Å; A374-Q378 VanDerWaalsContact O-N 3.07Å; L375-Q378 WeakPolarHBondContact O-CB 3.32Å; L375-Q378 PolarHBondContact O-N 3.13Å; R376-Q378 VanDerWaalsContact C-N 3.34Å; R376-Q378 PolarHBondContact O-N 3.32Å; Q378-V380 VanDerWaalsContact C-N 3.31Å; Q378-V380 PolarHBondContact O-N 3.13Å; Q378-Q381 PolarHBondContact O-N 2.96Å; Q378-A382 VanDerWaalsContact O-CB 3.3Å; Q378-A382 WeakPolarHBondContact O-CB 3.44Å; Q378-A382 PolarHBondContact O-N 2.8Å
379M98.3Very high96.6Very high0 Ų034.6 Ų34.60%020%0.198CC..Hα-helixtrans-61.4-44.4178.4-71174.9-175.800111.5V344 L366 L369 L375 R376 S377 A382 G383 L384 V404 I408V344-M379 VanDerWaalsContact CG1-CA 3.49Å; V344-M379 HydrophobicContact CG1-CB 4.11Å; V344-M379 HydrophobicContact CG1-CG 3.56Å; V344-M379 HydrophobicContact CG2-CE 4.48Å; V344-M379 HydrophobicContact CG2-CG 4.36Å; L366-M379 HydrophobicContact CB-CE 4.27Å; L366-M379 HydrophobicContact CD2-CE 3.94Å; L366-M379 WeakPolarHBondContact O-CE 3.19Å; L369-M379 HydrophobicContact CB-CE 3.57Å; L375-M379 VanDerWaalsContact O-CG 3.29Å; L375-M379 WeakPolarHBondContact O-CG 3.49Å; L375-M379 PolarHBondContact O-N 3.26Å; R376-M379 WeakPolarHBondContact O-CB 3.32Å; R376-M379 PolarHBondContact O-N 3.32Å; R376-M379 VanDerWaalsContact O-N 3.15Å; S377-M379 VanDerWaalsContact C-N 3.31Å; S377-M379 PolarHBondContact O-N 3.26Å; M379-A382 PolarHBondContact O-N 3.45Å; M379-G383 PolarHBondContact O-N 3.38Å; M379-L384 HydrophobicContact CB-CB 4.3Å; M379-L384 HydrophobicContact CB-CD1 3.63Å; M379-L384 HydrophobicContact CB-CG 4.45Å; M379-L384 HydrophobicContact CG-CD1 3.62Å; M379-L384 VanDerWaalsContact O-CB 3.25Å; M379-L384 WeakPolarHBondContact O-CB 3.49Å; M379-L384 PolarHBondContact O-N 3.28Å; M379-V404 HydrophobicContact SD-CG1 4.23Å; M379-I408 HydrophobicContact CB-CD1 4.38Å
380V97.4Very high96.4Very high12 Ų1238.3 Ų38.37%0.07322%0.224CC..Hα-helixtrans-64.5-46.4177.6171.30000111R376 S377 Q378 A382 G383 V385 I408 F414 M417R376-V380 WeakPolarHBondContact O-CG2 3.28Å; R376-V380 PolarHBondContact O-N 3.46Å; S377-V380 PolarHBondContact O-N 2.83Å; Q378-V380 VanDerWaalsContact C-N 3.31Å; Q378-V380 PolarHBondContact O-N 3.13Å; V380-A382 VanDerWaalsContact C-N 3.28Å; V380-A382 PolarHBondContact O-N 3.5Å; V380-G383 PolarHBondContact O-N 3.11Å; V380-V385 HydrophobicContact CG2-CG2 4.15Å; V380-I408 HydrophobicContact CG2-CG2 3.64Å; V380-F414 HydrophobicContact CB-CD1 4.11Å; V380-F414 HydrophobicContact CB-CE1 4.22Å; V380-F414 HydrophobicContact CB-CG 4.36Å; V380-F414 HydrophobicContact CG1-CD1 3.72Å; V380-F414 HydrophobicContact CG1-CE1 4.06Å; V380-F414 HydrophobicContact CG1-CG 4.26Å; V380-F414 HydrophobicContact CG2-CB 4.08Å; V380-F414 HydrophobicContact CG2-CD1 3.95Å; V380-F414 HydrophobicContact CG2-CD2 3.82Å; V380-F414 HydrophobicContact CG2-CE1 4.36Å; V380-F414 HydrophobicContact CG2-CE2 4.27Å; V380-F414 HydrophobicContact CG2-CG 3.68Å; V380-M417 HydrophobicContact CG1-CE 3.5Å; V380-M417 HydrophobicContact CG1-SD 3.1Å; V380-M417 WeakPolarHBondContact CG1-SD 3.43Å
381Q96.4Very high96.3Very high153 Ų15338.9 Ų38.972%0.71523%0.227SC*.Hα-helixtrans-61.1-34.9176.2-70.1171.911.500112.7S377 Q378 G383S377-Q381 VanDerWaalsContact O-CG 3.29Å; S377-Q381 WeakPolarHBondContact O-CG 3.32Å; S377-Q381 PolarHBondContact O-N 3.07Å; S377-Q381 PolarHBondContact OG-NE2 3.35Å; Q378-Q381 PolarHBondContact O-N 2.96Å; Q381-G383 PolarHBondContact O-N 3.33Å
382A96.6Very high96.4Very high26 Ų2635.8 Ų35.822%0.21521%0.214CC..THydrogen-bonded Turntrans-762.9175.400000113.8V344 A348 Q378 M379 V380V344-A382 HydrophobicContact CG1-CB 4.32Å; A348-A382 HydrophobicContact CB-CB 4.02Å; Q378-A382 VanDerWaalsContact O-CB 3.3Å; Q378-A382 WeakPolarHBondContact O-CB 3.44Å; Q378-A382 PolarHBondContact O-N 2.8Å; M379-A382 PolarHBondContact O-N 3.45Å; V380-A382 VanDerWaalsContact C-N 3.28Å; V380-A382 PolarHBondContact O-N 3.5Å
383G96Very high96.3Very high30 Ų3037.2 Ų37.231%0.30923%0.231SC..THydrogen-bonded Turntrans70.432.9178.100000113.6M379 V380 Q381M379-G383 PolarHBondContact O-N 3.38Å; V380-G383 PolarHBondContact O-N 3.11Å; Q381-G383 PolarHBondContact O-N 3.33Å
384L97.3Very high96.1Very high0 Ų037.9 Ų37.90%023%0.228CC..Hα-helixtrans-74.4-27.5-179.7-79.1177.8000114.1V344 A348 L351 L366 M379 R387 L388V344-L384 HydrophobicContact CG1-CD1 4.04Å; A348-L384 HydrophobicContact CB-CD1 4.47Å; A348-L384 HydrophobicContact CB-CD2 3.62Å; A348-L384 HydrophobicContact CB-CG 3.93Å; L351-L384 HydrophobicContact CD1-CD2 3.32Å; L351-L384 HydrophobicContact CG-CD2 4.29Å; L366-L384 HydrophobicContact CD1-CD1 4.04Å; L366-L384 HydrophobicContact CD1-CD2 4.24Å; L366-L384 HydrophobicContact CD2-CD1 3.74Å; M379-L384 HydrophobicContact CB-CB 4.3Å; M379-L384 HydrophobicContact CB-CD1 3.63Å; M379-L384 HydrophobicContact CB-CG 4.45Å; M379-L384 HydrophobicContact CG-CD1 3.62Å; M379-L384 VanDerWaalsContact O-CB 3.25Å; M379-L384 WeakPolarHBondContact O-CB 3.49Å; M379-L384 PolarHBondContact O-N 3.28Å; L384-R387 PolarHBondContact O-N 2.78Å; L384-R387 VanDerWaalsContact O-N 3.16Å; L384-L388 HydrophobicContact CB-CD1 4.08Å; L384-L388 HydrophobicContact CB-CG 4.49Å; L384-L388 WeakPolarHBondContact O-CB 3.38Å; L384-L388 WeakPolarHBondContact O-CG 3.44Å; L384-L388 PolarHBondContact O-N 3.44Å
385V97.5Very high95.9Very high2 Ų242.4 Ų42.41%0.01224%0.239CC..Hα-helixtrans-57.2-52-176.8175.60000112V380 R387 S389 L405 I408 F418 T421V380-V385 HydrophobicContact CG2-CG2 4.15Å; V385-R387 VanDerWaalsContact C-N 3.34Å; V385-R387 PolarHBondContact O-N 2.98Å; V385-S389 WeakPolarHBondContact O-CB 3.23Å; V385-S389 PolarHBondContact O-N 3.28Å; V385-S389 PolarHBondContact O-OG 3.03Å; V385-L405 HydrophobicContact CG1-CD2 4.26Å; V385-I408 HydrophobicContact CG2-CD1 4.16Å; V385-I408 HydrophobicContact CG2-CG2 4.04Å; V385-F418 HydrophobicContact CG1-CD1 4.2Å; V385-F418 HydrophobicContact CG1-CD2 4.26Å; V385-F418 HydrophobicContact CG1-CE1 4.22Å; V385-F418 HydrophobicContact CG1-CE2 4.26Å; V385-F418 HydrophobicContact CG1-CG 4.24Å; V385-F418 HydrophobicContact CG1-CZ 4.24Å; V385-T421 HydrophobicContact CG1-CG2 4.34Å
386P96.4Very high95.6Very high69 Ų6945.5 Ų45.545%0.44826%0.264SS..Hα-helixtrans-62.7-37.6176.1-21.432.7000113.5S389 S390 T421P386-S389 WeakPolarHBondContact O-CB 3.43Å; P386-S389 PolarHBondContact O-N 3.41Å; P386-S390 PolarHBondContact O-N 2.65Å; P386-S390 VanDerWaalsContact O-N 3.09Å; P386-T421 HydrophobicContact CB-CG2 4.07Å; P386-T421 HydrophobicContact CG-CG2 3.87Å
387R95.9Very high95.3Very high96 Ų9644.2 Ų44.236%0.36226%0.259SS..Hα-helixtrans-66.3-48.8-179.1-62.9-178-167.8-143.6-4.2111.3A348 L351 L384 V385 S389 S390 L391A348-R387 PolarHBondContact O-NH1 3.33Å; L351-R387 HydrophobicContact CD1-CB 4.05Å; L384-R387 PolarHBondContact O-N 2.78Å; L384-R387 VanDerWaalsContact O-N 3.16Å; V385-R387 VanDerWaalsContact C-N 3.34Å; V385-R387 PolarHBondContact O-N 2.98Å; R387-S389 VanDerWaalsContact C-N 3.29Å; R387-S389 PolarHBondContact O-N 3.39Å; R387-S390 PolarHBondContact O-N 3.25Å; R387-S390 VanDerWaalsContact O-N 3.17Å; R387-S390 PolarHBondContact O-OG 3.32Å; R387-L391 PolarHBondContact O-N 3.13Å
388L96.9Very high95.1Very high0 Ų046.2 Ų46.20%026%0.263CS..Hα-helixtrans-64-35.9175.4-67.2167.8000111.4L351 L384 S390 L391 L392 A401 V404 L405 I408L351-L388 HydrophobicContact CD1-CD2 3.97Å; L351-L388 HydrophobicContact CD1-CG 4.29Å; L384-L388 HydrophobicContact CB-CD1 4.08Å; L384-L388 HydrophobicContact CB-CG 4.49Å; L384-L388 WeakPolarHBondContact O-CB 3.38Å; L384-L388 WeakPolarHBondContact O-CG 3.44Å; L384-L388 PolarHBondContact O-N 3.44Å; L388-S390 VanDerWaalsContact C-N 3.26Å; L388-S390 PolarHBondContact O-N 2.98Å; L388-L391 HydrophobicContact CD2-CD1 4.42Å; L388-L391 WeakPolarHBondContact O-CB 3.32Å; L388-L391 PolarHBondContact O-N 2.82Å; L388-L391 VanDerWaalsContact O-N 3.09Å; L388-L392 PolarHBondContact O-N 3.4Å; L388-A401 HydrophobicContact CD2-CB 4.43Å; L388-V404 HydrophobicContact CD1-CB 4.02Å; L388-V404 HydrophobicContact CD1-CG1 3.45Å; L388-V404 VanDerWaalsContact CD1-CG1 3.45Å; L388-L405 HydrophobicContact CB-CD1 4.19Å; L388-L405 HydrophobicContact CB-CD2 3.84Å; L388-L405 HydrophobicContact CB-CG 3.92Å; L388-L405 HydrophobicContact CD1-CD2 4.33Å; L388-I408 HydrophobicContact CD1-CD1 4.22Å
389S96.7Very high94.9Very high2 Ų246.5 Ų46.51%0.01426%0.264CS..Hα-helixtrans-59.8-37.6174.5-55.60000111.8V385 P386 R387 L391 L392 T421 C423 Q426V385-S389 WeakPolarHBondContact O-CB 3.23Å; V385-S389 PolarHBondContact O-N 3.28Å; V385-S389 PolarHBondContact O-OG 3.03Å; P386-S389 WeakPolarHBondContact O-CB 3.43Å; P386-S389 PolarHBondContact O-N 3.41Å; R387-S389 VanDerWaalsContact C-N 3.29Å; R387-S389 PolarHBondContact O-N 3.39Å; S389-L391 VanDerWaalsContact C-N 3.29Å; S389-L391 PolarHBondContact O-N 2.84Å; S389-L392 WeakPolarHBondContact O-CB 3.36Å; S389-L392 PolarHBondContact O-N 3.2Å; S389-T421 PolarHBondContact OG-OG1 3.02Å; S389-C423 WeakPolarHBondContact OG-CB 3.42Å; S389-Q426 PolarHBondContact O-NE2 3.07Å
390S94.8Very high94.6Very high78 Ų7848 Ų4855%0.54527%0.272SS..Hα-helixtrans-68.4-28.3176.875.90000113.2P386 R387 L388 L392 A393P386-S390 PolarHBondContact O-N 2.65Å; P386-S390 VanDerWaalsContact O-N 3.09Å; R387-S390 PolarHBondContact O-N 3.25Å; R387-S390 VanDerWaalsContact O-N 3.17Å; R387-S390 PolarHBondContact O-OG 3.32Å; L388-S390 VanDerWaalsContact C-N 3.26Å; L388-S390 PolarHBondContact O-N 2.98Å; S390-L392 VanDerWaalsContact C-N 3.26Å; S390-L392 PolarHBondContact O-N 3.37Å; S390-A393 PolarHBondContact O-N 3.24Å
391L95.1Very high94.6Very high13 Ų1347.4 Ų47.47%0.06827%0.268CS..Hα-helixtrans-75.8-11.2178.1-61.8-179.4000113.4L351 Q359 R387 L388 S389 A393 D394 Q397 A401L351-L391 HydrophobicContact CD2-CD1 4.14Å; Q359-L391 VanDerWaalsContact NE2-CD2 3.28Å; R387-L391 PolarHBondContact O-N 3.13Å; L388-L391 HydrophobicContact CD2-CD1 4.42Å; L388-L391 WeakPolarHBondContact O-CB 3.32Å; L388-L391 PolarHBondContact O-N 2.82Å; L388-L391 VanDerWaalsContact O-N 3.09Å; S389-L391 VanDerWaalsContact C-N 3.29Å; S389-L391 PolarHBondContact O-N 2.84Å; L391-A393 PolarHBondContact O-N 3.4Å; L391-D394 PolarHBondContact O-N 2.98Å; L391-D394 VanDerWaalsContact O-N 3.12Å; L391-Q397 HydrophobicContact CB-CB 4.26Å; L391-A401 HydrophobicContact CB-CB 3.85Å
392L95.4Very high94.6Very high2 Ų240.2 Ų40.21%0.0124%0.235CC..THydrogen-bonded Turntrans-62.7-26.8173.5-65.9175.8000112.2L388 S389 S390 D394 R398 A401 M402 L405 Q426 L427L388-L392 PolarHBondContact O-N 3.4Å; S389-L392 WeakPolarHBondContact O-CB 3.36Å; S389-L392 PolarHBondContact O-N 3.2Å; S390-L392 VanDerWaalsContact C-N 3.26Å; S390-L392 PolarHBondContact O-N 3.37Å; L392-D394 VanDerWaalsContact C-N 3.32Å; L392-R398 HydrophobicContact CD2-CG 4.5Å; L392-R398 WeakPolarHBondContact O-CG 3.49Å; L392-R398 PolarHBondContact O-NE 3.21Å; L392-A401 HydrophobicContact CD2-CB 4.31Å; L392-M402 HydrophobicContact CD2-CB 4.04Å; L392-M402 HydrophobicContact CD2-CE 4.48Å; L392-L405 HydrophobicContact CD1-CD1 4.01Å; L392-L405 HydrophobicContact CD2-CD1 4.11Å; L392-L405 HydrophobicContact CG-CD1 4.14Å; L392-Q426 HydrophobicContact CB-CB 4.49Å; L392-Q426 HydrophobicContact CD1-CB 4.42Å; L392-L427 HydrophobicContact CD1-CD2 4.09Å; L392-L427 HydrophobicContact CD1-CG 4.47Å
393A92.5Very high94.6Very high71 Ų7139.3 Ų39.359%0.58723%0.227SC*.THydrogen-bonded Turntrans-71.5-26.6175.900000112.8S390 L391 Q426S390-A393 PolarHBondContact O-N 3.24Å; L391-A393 PolarHBondContact O-N 3.4Å; A393-Q426 VanDerWaalsContact N-OE1 3.11Å
394D91.8Very high94.7Very high62 Ų6237.9 Ų37.933%0.33221%0.212SC..  trans-86.1111.7179.9-177.5-8.8000110.6L391 L392 A396 Q397 R398L391-D394 PolarHBondContact O-N 2.98Å; L391-D394 VanDerWaalsContact O-N 3.12Å; L392-D394 VanDerWaalsContact C-N 3.32Å; D394-A396 PolarHBondContact O-N 3.48Å; D394-A396 VanDerWaalsContact O-N 3.15Å; D394-A396 WeakPolarHBondContact OD1-CB 3.43Å; D394-A396 PolarHBondContact OD1-N 2.95Å; D394-Q397 HydrophobicContact CB-CB 4.47Å; D394-Q397 PolarHBondContact O-N 3.35Å; D394-Q397 VanDerWaalsContact O-N 3.1Å; D394-R398 WeakPolarHBondContact O-CA 3.26Å; D394-R398 VanDerWaalsContact O-CB 3.24Å; D394-R398 WeakPolarHBondContact O-CB 3.23Å; D394-R398 PolarHBondContact O-N 2.84Å
395E90.4Very high94.7Very high158 Ų15837.9 Ų37.974%0.73821%0.212SC*.THydrogen-bonded Turntrans-54.1-33.7179.1-73.3-178.6175.700113.6R398E395-R398 IonicContact OE1-NH2 3.84Å
396A89.8Confident94.8Very high65 Ų6538 Ų3854%0.53721%0.212SC..THydrogen-bonded Turntrans-73.1-29.4-178.100000112.8D394D394-A396 PolarHBondContact O-N 3.48Å; D394-A396 VanDerWaalsContact O-N 3.15Å; D394-A396 WeakPolarHBondContact OD1-CB 3.43Å; D394-A396 PolarHBondContact OD1-N 2.95Å
397Q91.1Very high94.8Very high4 Ų435 Ų352%0.01919%0.193CC..THydrogen-bonded Turntrans-108.5-14.2-176.8-52.3-50.2-32.100113.7P356 Q359 S360 L391 D394 Q399 L400 A401P356-Q397 PolarHBondContact O-NE2 3.48Å; Q359-Q397 HydrophobicContact CG-CG 4.31Å; S360-Q397 PolarHBondContact OG-OE1 3.04Å; L391-Q397 HydrophobicContact CB-CB 4.26Å; D394-Q397 HydrophobicContact CB-CB 4.47Å; D394-Q397 PolarHBondContact O-N 3.35Å; D394-Q397 VanDerWaalsContact O-N 3.1Å; Q397-Q399 VanDerWaalsContact C-N 3.32Å; Q397-Q399 PolarHBondContact O-N 3.1Å; Q397-L400 PolarHBondContact O-N 3.43Å; Q397-L400 VanDerWaalsContact O-N 3.11Å; Q397-A401 WeakPolarHBondContact O-CB 3.36Å; Q397-A401 PolarHBondContact O-N 3.46Å
398R93.5Very high94.9Very high71 Ų7130.5 Ų30.527%0.26818%0.175SC..Hα-helixtrans-48.1-50.8-173.4179.4-177.1-61.2156.29.8112.5L392 D394 E395 L400 A401 M402 M430L392-R398 HydrophobicContact CD2-CG 4.5Å; L392-R398 WeakPolarHBondContact O-CG 3.49Å; L392-R398 PolarHBondContact O-NE 3.21Å; D394-R398 WeakPolarHBondContact O-CA 3.26Å; D394-R398 VanDerWaalsContact O-CB 3.24Å; D394-R398 WeakPolarHBondContact O-CB 3.23Å; D394-R398 PolarHBondContact O-N 2.84Å; E395-R398 IonicContact OE1-NH2 3.84Å; R398-L400 PolarHBondContact O-N 2.87Å; R398-A401 PolarHBondContact O-N 3.4Å; R398-M402 HydrophobicContact CG-CE 4.06Å; R398-M402 VanDerWaalsContact O-CB 3.24Å; R398-M402 WeakPolarHBondContact O-CB 3.5Å; R398-M402 PolarHBondContact O-N 3.37Å; R398-M430 HydrophobicContact CG-SD 4.32Å
399Q92.9Very high94.9Very high63 Ų6330.5 Ų30.529%0.29418%0.175SC..Hα-helixtrans-62.8-46.8-177.1-166.968.2-2.800111.9Q397 A401 M402 C403 E441Q397-Q399 VanDerWaalsContact C-N 3.32Å; Q397-Q399 PolarHBondContact O-N 3.1Å; Q399-A401 PolarHBondContact O-N 3.38Å; Q399-M402 PolarHBondContact O-N 3.37Å; Q399-C403 PolarHBondContact O-N 3.33Å; Q399-C403 PolarHBondContact O-SG 3.15Å; Q399-E441 VanDerWaalsContact NE2-CG 3.35Å; Q399-E441 PolarHBondContact NE2-OE1 2.94Å; Q399-E441 PolarHBondContact NE2-OE2 2.82Å
400L93.2Very high94.9Very high30 Ų3032.9 Ų32.916%0.15719%0.187CC..Hα-helixtrans-64.9-43.4179.6-66.3169.6000111.4C363 R364 L367 Q397 R398 M402 C403 V404C363-L400 HydrophobicContact CB-CB 3.87Å; C363-L400 HydrophobicContact CB-CD1 4.01Å; R364-L400 HydrophobicContact CG-CD1 3.76Å; R364-L400 HydrophobicContact CG-CD2 3.76Å; R364-L400 HydrophobicContact CG-CG 4.44Å; L367-L400 HydrophobicContact CD2-CD2 4.07Å; Q397-L400 PolarHBondContact O-N 3.43Å; Q397-L400 VanDerWaalsContact O-N 3.11Å; R398-L400 PolarHBondContact O-N 2.87Å; L400-M402 VanDerWaalsContact C-N 3.33Å; L400-M402 PolarHBondContact O-N 2.8Å; L400-C403 PolarHBondContact O-N 3.06Å; L400-V404 WeakPolarHBondContact O-CG2 3.27Å; L400-V404 PolarHBondContact O-N 2.92Å; L400-V404 VanDerWaalsContact O-N 3.11Å
401A96.5Very high94.9Very high0 Ų030.2 Ų30.20%017%0.167CC..Hα-helixtrans-61.2-44.2176.800000111.2L388 L391 L392 Q397 R398 Q399 V404 L405L388-A401 HydrophobicContact CD2-CB 4.43Å; L391-A401 HydrophobicContact CB-CB 3.85Å; L392-A401 HydrophobicContact CD2-CB 4.31Å; Q397-A401 WeakPolarHBondContact O-CB 3.36Å; Q397-A401 PolarHBondContact O-N 3.46Å; R398-A401 PolarHBondContact O-N 3.4Å; Q399-A401 PolarHBondContact O-N 3.38Å; A401-V404 PolarHBondContact O-N 2.63Å; A401-L405 WeakPolarHBondContact O-CB 3.37Å; A401-L405 WeakPolarHBondContact O-CG 3.42Å; A401-L405 PolarHBondContact O-N 3.32Å
402M96.3Very high94.8Very high2 Ų233.4 Ų33.41%0.0118%0.184CC..Hα-helixtrans-61.5-45.4177.4-167.7-178-55.700112L392 R398 Q399 L400 V404 L405 Y406 M430 E441 L442 L445L392-M402 HydrophobicContact CD2-CB 4.04Å; L392-M402 HydrophobicContact CD2-CE 4.48Å; R398-M402 HydrophobicContact CG-CE 4.06Å; R398-M402 VanDerWaalsContact O-CB 3.24Å; R398-M402 WeakPolarHBondContact O-CB 3.5Å; R398-M402 PolarHBondContact O-N 3.37Å; Q399-M402 PolarHBondContact O-N 3.37Å; L400-M402 VanDerWaalsContact C-N 3.33Å; L400-M402 PolarHBondContact O-N 2.8Å; M402-V404 PolarHBondContact O-N 3.18Å; M402-L405 PolarHBondContact O-N 3.09Å; M402-Y406 WeakPolarHBondContact O-CB 3.17Å; M402-Y406 PolarHBondContact O-N 2.9Å; M402-M430 HydrophobicContact CE-CE 4.06Å; M402-M430 HydrophobicContact CE-SD 4.27Å; M402-E441 HydrophobicContact CG-CB 4.26Å; M402-E441 HydrophobicContact SD-CB 3.68Å; M402-L442 HydrophobicContact CE-CB 4.27Å; M402-L442 HydrophobicContact CE-CD1 4.28Å; M402-L442 WeakPolarHBondContact SD-CA 3.46Å; M402-L442 HydrophobicContact SD-CB 3.72Å; M402-L442 HydrophobicContact SD-CD1 4.4Å; M402-L442 PolarHBondContact SD-N 3.42Å; M402-L445 HydrophobicContact CG-CD2 3.95Å
403C96.8Very high94.8Very high8 Ų841.5 Ų41.55%0.05421%0.214CC..Hα-helixtrans-61.1-42.2176.9-67.30000112.6L367 Q399 L400 Y406 H407L367-C403 HydrophobicContact CD1-CB 3.64Å; L367-C403 HydrophobicContact CD2-CB 4.3Å; Q399-C403 PolarHBondContact O-N 3.33Å; Q399-C403 PolarHBondContact O-SG 3.15Å; L400-C403 PolarHBondContact O-N 3.06Å; C403-Y406 WeakPolarHBondContact O-CB 3.08Å; C403-Y406 PolarHBondContact O-N 3.49Å; C403-H407 PolarHBondContact O-N 3.34Å
404V97.9Very high95Very high0 Ų039 Ų390%019%0.19CC..Hα-helixtrans-66.4-43.6176.9-179.90000110.7L366 L367 M379 L388 L400 A401 M402 Y406 H407 I408L366-V404 HydrophobicContact CB-CG2 4.42Å; L367-V404 HydrophobicContact CB-CG2 3.9Å; L367-V404 HydrophobicContact CD1-CG2 4.17Å; M379-V404 HydrophobicContact SD-CG1 4.23Å; L388-V404 HydrophobicContact CD1-CB 4.02Å; L388-V404 HydrophobicContact CD1-CG1 3.45Å; L388-V404 VanDerWaalsContact CD1-CG1 3.45Å; L400-V404 WeakPolarHBondContact O-CG2 3.27Å; L400-V404 PolarHBondContact O-N 2.92Å; L400-V404 VanDerWaalsContact O-N 3.11Å; A401-V404 PolarHBondContact O-N 2.63Å; M402-V404 PolarHBondContact O-N 3.18Å; V404-Y406 VanDerWaalsContact C-N 3.3Å; V404-Y406 PolarHBondContact O-N 3.22Å; V404-H407 PolarHBondContact O-N 3.37Å; V404-I408 HydrophobicContact CG1-CD1 4.11Å; V404-I408 WeakPolarHBondContact O-CG1 3.49Å; V404-I408 PolarHBondContact O-N 3.13Å
405L98.4Very high95.2Very high0 Ų036.1 Ų36.10%018%0.175CC..Hα-helixtrans-61.7-38.7175.9-72.2169000111.6V385 L388 L392 A401 M402 I408 S409 F418 L445V385-L405 HydrophobicContact CG1-CD2 4.26Å; L388-L405 HydrophobicContact CB-CD1 4.19Å; L388-L405 HydrophobicContact CB-CD2 3.84Å; L388-L405 HydrophobicContact CB-CG 3.92Å; L388-L405 HydrophobicContact CD1-CD2 4.33Å; L392-L405 HydrophobicContact CD1-CD1 4.01Å; L392-L405 HydrophobicContact CD2-CD1 4.11Å; L392-L405 HydrophobicContact CG-CD1 4.14Å; A401-L405 WeakPolarHBondContact O-CB 3.37Å; A401-L405 WeakPolarHBondContact O-CG 3.42Å; A401-L405 PolarHBondContact O-N 3.32Å; M402-L405 PolarHBondContact O-N 3.09Å; L405-I408 PolarHBondContact O-N 2.78Å; L405-S409 WeakPolarHBondContact O-CB 3.41Å; L405-S409 PolarHBondContact O-N 2.91Å; L405-F418 HydrophobicContact CB-CE1 4.08Å; L405-F418 HydrophobicContact CB-CZ 4.49Å; L405-F418 HydrophobicContact CD2-CE1 3.64Å; L405-F418 HydrophobicContact CD2-CZ 4.06Å; L405-F418 HydrophobicContact CG-CE1 4.37Å; L405-L445 HydrophobicContact CB-CD1 4.34Å; L405-L445 HydrophobicContact CB-CD2 3.96Å
406Y97.9Very high95.5Very high3 Ų330.8 Ų30.81%0.01215%0.154CC..Hα-helixtrans-59.8-50.1173.2168.6-105.1000111.5M402 C403 V404 I408 S409 M410 L445 N448 F779 F780M402-Y406 WeakPolarHBondContact O-CB 3.17Å; M402-Y406 PolarHBondContact O-N 2.9Å; C403-Y406 WeakPolarHBondContact O-CB 3.08Å; C403-Y406 PolarHBondContact O-N 3.49Å; V404-Y406 VanDerWaalsContact C-N 3.3Å; V404-Y406 PolarHBondContact O-N 3.22Å; Y406-I408 VanDerWaalsContact C-N 3.32Å; Y406-I408 PolarHBondContact O-N 3.04Å; Y406-S409 WeakPolarHBondContact CA-OG 3.5Å; Y406-S409 WeakPolarHBondContact O-CB 3.48Å; Y406-S409 PolarHBondContact O-N 2.85Å; Y406-S409 PolarHBondContact O-OG 2.89Å; Y406-M410 HydrophobicContact CD1-CE 4.04Å; Y406-M410 HydrophobicContact CE1-CE 3.17Å; Y406-M410 HydrophobicContact CE2-CE 4.4Å; Y406-M410 PolarHBondContact O-N 2.85Å; Y406-M410 WeakPolarHBondContact OH-CE 2.91Å; Y406-L445 HydrophobicContact CD2-CB 4.48Å; Y406-N448 VanDerWaalsContact CE2-ND2 3.34Å; Y406-N448 WeakPolarHBondContact CE2-ND2 3.42Å; Y406-F779 PolarHBondContact OH-N 3.3Å; Y406-F780 HydrophobicContact CD1-CB 4.42Å; Y406-F780 AromaticContact CD1-CD2 3.72Å; Y406-F780 HydrophobicContact CD1-CD2 3.72Å; Y406-F780 HydrophobicContact CD1-CG 4.31Å; Y406-F780 HydrophobicContact CE1-CB 3.92Å; Y406-F780 AromaticContact CE1-CD2 3.39Å; Y406-F780 HydrophobicContact CE1-CD2 3.39Å; Y406-F780 HydrophobicContact CE1-CE2 4.41Å; Y406-F780 HydrophobicContact CE1-CG 4.03Å; Y406-F780 HydrophobicContact CE2-CD2 4.44Å; Y406-F780 HydrophobicContact CG-CD2 4.38Å; Y406-F780 AromaticContact CZ-CD2 3.79Å
407H97.8Very high95.8Very high8 Ų831.1 Ų31.14%0.03715%0.145CC..Hα-helixtrans-59.8-41175.9-69.8168.6000112.5S370 F371 R376 C403 V404 S409 M410S370-H407 PolarHBondContact OG-ND1 3.2Å; F371-H407 AromaticContact CE1-CE1 3.73Å; F371-H407 AromaticContact CE1-NE2 3.98Å; F371-H407 AromaticContact CE2-CE1 3.67Å; F371-H407 AromaticContact CZ-CE1 3.5Å; R376-H407 VanDerWaalsContact CD-C 3.45Å; R376-H407 WeakPolarHBondContact CD-O 3.48Å; R376-H407 PolarHBondContact NE-O 3.35Å; C403-H407 PolarHBondContact O-N 3.34Å; V404-H407 PolarHBondContact O-N 3.37Å; H407-S409 VanDerWaalsContact C-N 3.31Å; H407-S409 PolarHBondContact O-N 2.95Å; H407-M410 WeakPolarHBondContact O-CB 3.34Å; H407-M410 PolarHBondContact O-N 2.77Å
408I98Very high96.1Very high0 Ų031 Ų310%014%0.144CC..Hα-helixtrans-61.8-41.3174.3-66.8169.8000110.8M379 V380 V385 L388 V404 L405 Y406 M410 D411 F414 F418M379-I408 HydrophobicContact CB-CD1 4.38Å; V380-I408 HydrophobicContact CG2-CG2 3.64Å; V385-I408 HydrophobicContact CG2-CD1 4.16Å; V385-I408 HydrophobicContact CG2-CG2 4.04Å; L388-I408 HydrophobicContact CD1-CD1 4.22Å; V404-I408 HydrophobicContact CG1-CD1 4.11Å; V404-I408 WeakPolarHBondContact O-CG1 3.49Å; V404-I408 PolarHBondContact O-N 3.13Å; L405-I408 PolarHBondContact O-N 2.78Å; Y406-I408 VanDerWaalsContact C-N 3.32Å; Y406-I408 PolarHBondContact O-N 3.04Å; I408-M410 PolarHBondContact O-N 2.66Å; I408-D411 PolarHBondContact O-N 3.39Å; I408-F414 HydrophobicContact CG2-CB 3.9Å; I408-F414 HydrophobicContact CG2-CD2 4.29Å; I408-F414 HydrophobicContact CG2-CG 4.45Å; I408-F418 HydrophobicContact CB-CZ 4.39Å; I408-F418 HydrophobicContact CG2-CE2 4.03Å; I408-F418 HydrophobicContact CG2-CZ 4.08Å
409S97.2Very high96.2Very high0 Ų028.7 Ų28.70%014%0.14CC..Hα-helixtrans-67.1-14.9-179.778.70000114.3L405 Y406 H407 D411 K415 N448L405-S409 WeakPolarHBondContact O-CB 3.41Å; L405-S409 PolarHBondContact O-N 2.91Å; Y406-S409 WeakPolarHBondContact CA-OG 3.5Å; Y406-S409 WeakPolarHBondContact O-CB 3.48Å; Y406-S409 PolarHBondContact O-N 2.85Å; Y406-S409 PolarHBondContact O-OG 2.89Å; H407-S409 VanDerWaalsContact C-N 3.31Å; H407-S409 PolarHBondContact O-N 2.95Å; S409-D411 PolarHBondContact O-N 2.89Å; S409-K415 WeakPolarHBondContact O-CE 3.26Å; S409-N448 VanDerWaalsContact OG-CB 3.3Å; S409-N448 WeakPolarHBondContact OG-CB 3.44Å; S409-N448 PolarHBondContact OG-ND2 3.13Å
410M95.1Very high96.2Very high53 Ų5333.4 Ų33.426%0.26116%0.162SC..THydrogen-bonded Turntrans-65-22.5173.6-66.3-177.6170.300112.7Y406 H407 I408Y406-M410 HydrophobicContact CD1-CE 4.04Å; Y406-M410 HydrophobicContact CE1-CE 3.17Å; Y406-M410 HydrophobicContact CE2-CE 4.4Å; Y406-M410 PolarHBondContact O-N 2.85Å; Y406-M410 WeakPolarHBondContact OH-CE 2.91Å; H407-M410 WeakPolarHBondContact O-CB 3.34Å; H407-M410 PolarHBondContact O-N 2.77Å; I408-M410 PolarHBondContact O-N 2.66Å
411D94.6Very high96.3Very high22 Ų2233 Ų3312%0.11816%0.161CC..SBendtrans-97.2113.9178.7-167.1-37.2000110.2I408 S409 R413 F414 K415I408-D411 PolarHBondContact O-N 3.39Å; S409-D411 PolarHBondContact O-N 2.89Å; D411-R413 PolarHBondContact O-N 3.4Å; D411-R413 VanDerWaalsContact O-N 3.08Å; D411-R413 VanDerWaalsContact OD1-CB 3.26Å; D411-R413 WeakPolarHBondContact OD1-CB 3.45Å; D411-R413 WeakPolarHBondContact OD1-CG 3.35Å; D411-R413 IonicContact OD1-CZ 3.59Å; D411-R413 PolarHBondContact OD1-N 3.19Å; D411-R413 VanDerWaalsContact OD1-N 3.1Å; D411-R413 IonicContact OD1-NE 3.07Å; D411-R413 PolarHBondContact OD1-NE 3.24Å; D411-R413 IonicContact OD1-NH2 2.87Å; D411-R413 IonicContact OD2-CZ 2.59Å; D411-R413 IonicContact OD2-NE 3.88Å; D411-R413 PolarHBondContact OD2-NE 3.49Å; D411-R413 IonicContact OD2-NH2 3.47Å; D411-R413 PolarHBondContact OD2-NH2 3.42Å; D411-F414 HydrophobicContact CB-CD2 3.55Å; D411-F414 HydrophobicContact CB-CE2 3.89Å; D411-F414 HydrophobicContact CB-CG 4.36Å; D411-F414 PolarHBondContact O-N 3.26Å; D411-F414 WeakPolarHBondContact OD2-CE2 3.09Å; D411-K415 PolarHBondContact O-N 3.18Å
412D93.6Very high96.2Very high80 Ų8038.6 Ų38.643%0.42819%0.191SC..THydrogen-bonded Turntrans-55.2-30.1-177.8-73.7-34.2000113.6F414 K415 P416D412-F414 PolarHBondContact O-N 3.44Å; D412-K415 PolarHBondContact O-N 3.22Å; D412-K415 WeakPolarHBondContact OD1-CD 3.45Å; D412-K415 WeakPolarHBondContact OD1-CE 3.47Å; D412-K415 IonicContact OD1-NZ 3.05Å; D412-K415 PolarHBondContact OD1-NZ 3.44Å; D412-P416 WeakPolarHBondContact O-CD 3.12Å
413R95.6Very high96.3Very high171 Ų17138.5 Ų38.565%0.64519%0.19SC*.THydrogen-bonded Turntrans-63.6-27.4179.4-58.3175.5-66.3178.30.6112.1D411D411-R413 PolarHBondContact O-N 3.4Å; D411-R413 VanDerWaalsContact O-N 3.08Å; D411-R413 VanDerWaalsContact OD1-CB 3.26Å; D411-R413 WeakPolarHBondContact OD1-CB 3.45Å; D411-R413 WeakPolarHBondContact OD1-CG 3.35Å; D411-R413 IonicContact OD1-CZ 3.59Å; D411-R413 PolarHBondContact OD1-N 3.19Å; D411-R413 VanDerWaalsContact OD1-N 3.1Å; D411-R413 IonicContact OD1-NE 3.07Å; D411-R413 PolarHBondContact OD1-NE 3.24Å; D411-R413 IonicContact OD1-NH2 2.87Å; D411-R413 IonicContact OD2-CZ 2.59Å; D411-R413 IonicContact OD2-NE 3.88Å; D411-R413 PolarHBondContact OD2-NE 3.49Å; D411-R413 IonicContact OD2-NH2 3.47Å; D411-R413 PolarHBondContact OD2-NH2 3.42Å
414F96.6Very high96.4Very high19 Ų1938.1 Ų38.18%0.08319%0.188CC..THydrogen-bonded Turntrans-99.8-17.7-174.8-53.9-38.8000113.6V380 I408 D411 D412 P416 M417V380-F414 HydrophobicContact CB-CD1 4.11Å; V380-F414 HydrophobicContact CB-CE1 4.22Å; V380-F414 HydrophobicContact CB-CG 4.36Å; V380-F414 HydrophobicContact CG1-CD1 3.72Å; V380-F414 HydrophobicContact CG1-CE1 4.06Å; V380-F414 HydrophobicContact CG1-CG 4.26Å; V380-F414 HydrophobicContact CG2-CB 4.08Å; V380-F414 HydrophobicContact CG2-CD1 3.95Å; V380-F414 HydrophobicContact CG2-CD2 3.82Å; V380-F414 HydrophobicContact CG2-CE1 4.36Å; V380-F414 HydrophobicContact CG2-CE2 4.27Å; V380-F414 HydrophobicContact CG2-CG 3.68Å; I408-F414 HydrophobicContact CG2-CB 3.9Å; I408-F414 HydrophobicContact CG2-CD2 4.29Å; I408-F414 HydrophobicContact CG2-CG 4.45Å; D411-F414 HydrophobicContact CB-CD2 3.55Å; D411-F414 HydrophobicContact CB-CE2 3.89Å; D411-F414 HydrophobicContact CB-CG 4.36Å; D411-F414 PolarHBondContact O-N 3.26Å; D411-F414 WeakPolarHBondContact OD2-CE2 3.09Å; D412-F414 PolarHBondContact O-N 3.44Å; F414-P416 VanDerWaalsContact C-CD 3.41Å; F414-M417 WeakPolarHBondContact O-CB 3.34Å; F414-M417 PolarHBondContact O-N 3.28Å; F414-M417 VanDerWaalsContact O-N 3.08Å
415K96.6Very high96.3Very high2 Ų241.2 Ų41.21%0.00921%0.208CC..G310 helixtrans-51.4-43.8177.6-66.6177.7-179.2171.30114S409 D411 D412 M417 F418 N448 N452 N455S409-K415 WeakPolarHBondContact O-CE 3.26Å; D411-K415 PolarHBondContact O-N 3.18Å; D412-K415 PolarHBondContact O-N 3.22Å; D412-K415 WeakPolarHBondContact OD1-CD 3.45Å; D412-K415 WeakPolarHBondContact OD1-CE 3.47Å; D412-K415 IonicContact OD1-NZ 3.05Å; D412-K415 PolarHBondContact OD1-NZ 3.44Å; K415-M417 PolarHBondContact O-N 3.39Å; K415-F418 WeakPolarHBondContact O-CD2 3.29Å; K415-F418 PolarHBondContact O-N 3.43Å; K415-N448 VanDerWaalsContact CD-O 3.29Å; K415-N448 WeakPolarHBondContact CD-O 3.39Å; K415-N448 WeakPolarHBondContact CE-O 3.45Å; K415-N448 PolarHBondContact NZ-O 3.17Å; K415-N452 HydrophobicContact CB-CB 3.66Å; K415-N452 HydrophobicContact CD-CB 4.21Å; K415-N455 PolarHBondContact O-ND2 3.17Å; K415-N455 PolarHBondContact O-OD1 3.35Å
416P96.3Very high96.2Very high45 Ų4543 Ų4329%0.29222%0.217SC..G310 helixtrans-59.1-20-179.9-21.729.6000114.9D412 F414 F418 H420 N452D412-P416 WeakPolarHBondContact O-CD 3.12Å; F414-P416 VanDerWaalsContact C-CD 3.41Å; P416-F418 VanDerWaalsContact C-N 3.25Å; P416-F418 PolarHBondContact O-N 2.86Å; P416-H420 PolarHBondContact O-ND1 3.18Å; P416-N452 WeakPolarHBondContact CG-ND2 3.34Å
417M95.8Very high96.2Very high73 Ų7342.9 Ų42.936%0.3622%0.216SC..G310 helixtrans-72-21.9-177.1-60.2-174.26300112.9V380 F414 K415V380-M417 HydrophobicContact CG1-CE 3.5Å; V380-M417 HydrophobicContact CG1-SD 3.1Å; V380-M417 WeakPolarHBondContact CG1-SD 3.43Å; F414-M417 WeakPolarHBondContact O-CB 3.34Å; F414-M417 PolarHBondContact O-N 3.28Å; F414-M417 VanDerWaalsContact O-N 3.08Å; K415-M417 PolarHBondContact O-N 3.39Å
418F98.1Very high96.1Very high0 Ų043.5 Ų43.50%022%0.219CC..G310 helixtrans-73.8-28.9-179.4-70.1-106.5000112.8V385 L405 I408 K415 P416 H420 T421 C423 L445 L449V385-F418 HydrophobicContact CG1-CD1 4.2Å; V385-F418 HydrophobicContact CG1-CD2 4.26Å; V385-F418 HydrophobicContact CG1-CE1 4.22Å; V385-F418 HydrophobicContact CG1-CE2 4.26Å; V385-F418 HydrophobicContact CG1-CG 4.24Å; V385-F418 HydrophobicContact CG1-CZ 4.24Å; L405-F418 HydrophobicContact CB-CE1 4.08Å; L405-F418 HydrophobicContact CB-CZ 4.49Å; L405-F418 HydrophobicContact CD2-CE1 3.64Å; L405-F418 HydrophobicContact CD2-CZ 4.06Å; L405-F418 HydrophobicContact CG-CE1 4.37Å; I408-F418 HydrophobicContact CB-CZ 4.39Å; I408-F418 HydrophobicContact CG2-CE2 4.03Å; I408-F418 HydrophobicContact CG2-CZ 4.08Å; K415-F418 WeakPolarHBondContact O-CD2 3.29Å; K415-F418 PolarHBondContact O-N 3.43Å; P416-F418 VanDerWaalsContact C-N 3.25Å; P416-F418 PolarHBondContact O-N 2.86Å; F418-H420 PolarHBondContact O-N 3.07Å; F418-H420 VanDerWaalsContact O-N 3.12Å; F418-T421 PolarHBondContact O-N 2.79Å; F418-T421 VanDerWaalsContact O-N 3.15Å; F418-T421 PolarHBondContact O-OG1 3.08Å; F418-C423 HydrophobicContact CD1-CB 4.12Å; F418-L445 HydrophobicContact CE1-CD1 4.35Å; F418-L449 HydrophobicContact CB-CD1 4.31Å; F418-L449 HydrophobicContact CB-CD2 3.92Å; F418-L449 HydrophobicContact CD1-CD1 3.68Å; F418-L449 HydrophobicContact CD1-CD2 3.63Å; F418-L449 HydrophobicContact CD1-CG 4.31Å; F418-L449 HydrophobicContact CD2-CD2 3.57Å; F418-L449 HydrophobicContact CE1-CD1 4.18Å; F418-L449 HydrophobicContact CE1-CD2 3.91Å; F418-L449 HydrophobicContact CE2-CD2 3.88Å; F418-L449 HydrophobicContact CG-CD1 4.13Å; F418-L449 HydrophobicContact CG-CD2 3.43Å; F418-L449 VanDerWaalsContact CG-CD2 3.43Å; F418-L449 HydrophobicContact CG-CG 4.44Å; F418-L449 HydrophobicContact CZ-CD2 4.04Å
419A95.9Very high96Very high23 Ų2351.4 Ų51.419%0.1925%0.253CS..G310 helixtrans-61.4-20.6178.100000113.3N455 V458A419-N455 WeakPolarHBondContact CA-OD1 3.36Å; A419-N455 WeakPolarHBondContact CB-OD1 3.1Å; A419-N455 PolarHBondContact N-OD1 3.35Å; A419-V458 HydrophobicContact CB-CG2 4.08Å
420H92.5Very high95.8Very high162 Ų16253.5 Ų53.575%0.7526%0.264SS*.G310 helixtrans-10113-177.5-52.393000112.7P416 F418P416-H420 PolarHBondContact O-ND1 3.18Å; F418-H420 PolarHBondContact O-N 3.07Å; F418-H420 VanDerWaalsContact O-N 3.12Å
421T95.8Very high95.8Very high21 Ų2151 Ų5113%0.12925%0.251CS..SBendtrans-128.1167.5179.177.60000111.2V385 P386 S389 F418 C423V385-T421 HydrophobicContact CG1-CG2 4.34Å; P386-T421 HydrophobicContact CB-CG2 4.07Å; P386-T421 HydrophobicContact CG-CG2 3.87Å; S389-T421 PolarHBondContact OG-OG1 3.02Å; F418-T421 PolarHBondContact O-N 2.79Å; F418-T421 VanDerWaalsContact O-N 3.15Å; F418-T421 PolarHBondContact O-OG1 3.08Å; T421-C423 PolarHBondContact O-N 3.47Å; T421-C423 VanDerWaalsContact O-N 3.09Å; T421-C423 WeakPolarHBondContact OG1-CB 3.33Å; T421-C423 PolarHBondContact OG1-N 3.46Å
422D94.4Very high95.7Very high118 Ų11853 Ų5363%0.63126%0.262SS*.SBendtrans-75.915.4173.1-63.7-40.2000113.3Q426D422-Q426 WeakPolarHBondContact O-CB 3.32Å; D422-Q426 VanDerWaalsContact O-CG 3.24Å; D422-Q426 WeakPolarHBondContact O-CG 3.41Å; D422-Q426 PolarHBondContact O-N 3.07Å; D422-Q426 PolarHBondContact O-NE2 3.47Å
423C97.7Very high95.1Very high0 Ų052.4 Ų52.40%027%0.274CS..Hα-helixtrans-63.5-61.1-179.9-171.30000111S389 F418 T421 Q426 L427S389-C423 WeakPolarHBondContact OG-CB 3.42Å; F418-C423 HydrophobicContact CD1-CB 4.12Å; T421-C423 PolarHBondContact O-N 3.47Å; T421-C423 VanDerWaalsContact O-N 3.09Å; T421-C423 WeakPolarHBondContact OG1-CB 3.33Å; T421-C423 PolarHBondContact OG1-N 3.46Å; C423-Q426 PolarHBondContact O-N 3.4Å; C423-Q426 VanDerWaalsContact O-N 3.07Å; C423-L427 VanDerWaalsContact O-CG 3.31Å; C423-L427 WeakPolarHBondContact O-CG 3.47Å; C423-L427 PolarHBondContact O-N 3.33Å
424I98Very high94.1Very high1 Ų146.1 Ų46.11%0.00526%0.263CS..Hα-helixtrans-59-45.4-176.3-66.8169.1000112.1Q426 L427 M428 L449 N455 V458 F459I424-Q426 VanDerWaalsContact C-N 3.31Å; I424-Q426 PolarHBondContact O-N 3.15Å; I424-L427 PolarHBondContact O-N 2.98Å; I424-M428 HydrophobicContact CG2-CG 4.31Å; I424-M428 WeakPolarHBondContact O-CB 3.38Å; I424-M428 WeakPolarHBondContact O-CG 3.36Å; I424-M428 PolarHBondContact O-N 3.44Å; I424-L449 HydrophobicContact CG1-CD1 4.19Å; I424-N455 HydrophobicContact CD1-CB 3.56Å; I424-V458 HydrophobicContact CB-CB 4.46Å; I424-V458 HydrophobicContact CB-CG1 3.88Å; I424-V458 HydrophobicContact CD1-CB 4.03Å; I424-V458 HydrophobicContact CD1-CG1 4.3Å; I424-V458 HydrophobicContact CG2-CB 4.09Å; I424-V458 HydrophobicContact CG2-CG1 3.64Å; I424-F459 HydrophobicContact CB-CE1 4.49Å; I424-F459 HydrophobicContact CD1-CD2 4.36Å; I424-F459 HydrophobicContact CD1-CE2 4.14Å; I424-F459 HydrophobicContact CG1-CE2 4.12Å; I424-F459 HydrophobicContact CG1-CZ 4.05Å; I424-F459 HydrophobicContact CG2-CD1 3.5Å; I424-F459 VanDerWaalsContact CG2-CD1 3.5Å; I424-F459 HydrophobicContact CG2-CD2 4.14Å; I424-F459 HydrophobicContact CG2-CE1 3.6Å; I424-F459 HydrophobicContact CG2-CE2 4.22Å; I424-F459 HydrophobicContact CG2-CG 3.78Å; I424-F459 HydrophobicContact CG2-CZ 3.97Å
425P96.4Very high92.8Very high64 Ų6451.9 Ų51.942%0.41629%0.29SS..Hα-helixtrans-56.1-40.7173.7-28.335.7000114K429P425-K429 PolarHBondContact O-N 3.31Å
426Q96.8Very high91.9Very high39 Ų3959.6 Ų59.618%0.18233%0.326CS..Hα-helixtrans-70.2-42.8177-73.4179.482.100112.2S389 L392 A393 D422 C423 I424 M428 K429 M430S389-Q426 PolarHBondContact O-NE2 3.07Å; L392-Q426 HydrophobicContact CB-CB 4.49Å; L392-Q426 HydrophobicContact CD1-CB 4.42Å; A393-Q426 VanDerWaalsContact N-OE1 3.11Å; D422-Q426 WeakPolarHBondContact O-CB 3.32Å; D422-Q426 VanDerWaalsContact O-CG 3.24Å; D422-Q426 WeakPolarHBondContact O-CG 3.41Å; D422-Q426 PolarHBondContact O-N 3.07Å; D422-Q426 PolarHBondContact O-NE2 3.47Å; C423-Q426 PolarHBondContact O-N 3.4Å; C423-Q426 VanDerWaalsContact O-N 3.07Å; I424-Q426 VanDerWaalsContact C-N 3.31Å; I424-Q426 PolarHBondContact O-N 3.15Å; Q426-M428 VanDerWaalsContact C-N 3.35Å; Q426-M428 PolarHBondContact O-N 2.89Å; Q426-K429 WeakPolarHBondContact O-CB 3.5Å; Q426-K429 PolarHBondContact O-N 3.36Å; Q426-M430 WeakPolarHBondContact O-CE 3.46Å; Q426-M430 WeakPolarHBondContact O-CG 3.42Å; Q426-M430 PolarHBondContact O-N 3.39Å
427L97Very high91.2Very high0 Ų066.3 Ų66.30%035%0.354CS..Hα-helixtrans-59.3-46.1175.1-62.2175.5000110.9L392 C423 I424 K429 M430 M431 L442 L445 L449L392-L427 HydrophobicContact CD1-CD2 4.09Å; L392-L427 HydrophobicContact CD1-CG 4.47Å; C423-L427 VanDerWaalsContact O-CG 3.31Å; C423-L427 WeakPolarHBondContact O-CG 3.47Å; C423-L427 PolarHBondContact O-N 3.33Å; I424-L427 PolarHBondContact O-N 2.98Å; L427-K429 VanDerWaalsContact C-N 3.33Å; L427-K429 PolarHBondContact O-N 3.43Å; L427-M430 HydrophobicContact CD2-CE 3.72Å; L427-M430 PolarHBondContact O-N 3.26Å; L427-M430 VanDerWaalsContact O-N 3.1Å; L427-M431 WeakPolarHBondContact O-CG 3.38Å; L427-M431 PolarHBondContact O-N 3.18Å; L427-L442 HydrophobicContact CB-CD1 4.1Å; L427-L442 HydrophobicContact CD2-CD1 3.55Å; L427-L442 HydrophobicContact CG-CD1 4.39Å; L427-L445 HydrophobicContact CD1-CD2 3.77Å; L427-L445 HydrophobicContact CD1-CG 3.89Å; L427-L445 HydrophobicContact CD2-CD2 3.77Å; L427-L445 HydrophobicContact CG-CD2 4.44Å; L427-L449 HydrophobicContact CD1-CD1 3.75Å
428M96.8Very high90.9Very high20 Ų2064 Ų6410%0.09934%0.342CS..Hα-helixtrans-59.5-41.7175.8-79.8-65.4-76.800112.5I424 Q426 M430 M431 L432 F459 L468I424-M428 HydrophobicContact CG2-CG 4.31Å; I424-M428 WeakPolarHBondContact O-CB 3.38Å; I424-M428 WeakPolarHBondContact O-CG 3.36Å; I424-M428 PolarHBondContact O-N 3.44Å; Q426-M428 VanDerWaalsContact C-N 3.35Å; Q426-M428 PolarHBondContact O-N 2.89Å; M428-M430 VanDerWaalsContact C-N 3.31Å; M428-M430 PolarHBondContact O-N 3.48Å; M428-M431 PolarHBondContact O-N 3.19Å; M428-L432 HydrophobicContact CE-CD1 4.02Å; M428-L432 WeakPolarHBondContact O-CB 3.5Å; M428-L432 WeakPolarHBondContact O-CG 3.45Å; M428-L432 PolarHBondContact O-N 3.32Å; M428-F459 HydrophobicContact CG-CD1 3.65Å; M428-F459 HydrophobicContact CG-CE1 3.99Å; M428-F459 HydrophobicContact SD-CD1 3.6Å; M428-F459 HydrophobicContact SD-CE1 4.11Å; M428-L468 HydrophobicContact CE-CD1 3.92Å; M428-L468 HydrophobicContact CE-CD2 4.33Å; M428-L468 HydrophobicContact CE-CG 3.93Å; M428-L468 HydrophobicContact SD-CD1 3.9Å; M428-L468 HydrophobicContact SD-CD2 4.04Å; M428-L468 HydrophobicContact SD-CG 4.15Å
429K94.7Very high90.4Very high166 Ų16668.4 Ų68.472%0.72237%0.366SS*.Hα-helixtrans-60.5-40.8174.9-176.4-176.6174.6-171.90111.8P425 Q426 L427 G433P425-K429 PolarHBondContact O-N 3.31Å; Q426-K429 WeakPolarHBondContact O-CB 3.5Å; Q426-K429 PolarHBondContact O-N 3.36Å; L427-K429 VanDerWaalsContact C-N 3.33Å; L427-K429 PolarHBondContact O-N 3.43Å; K429-G433 WeakPolarHBondContact O-CA 3.36Å; K429-G433 PolarHBondContact O-N 3.09Å; K429-G433 VanDerWaalsContact O-N 3.14Å
430M94.6Very high90.1Very high45 Ų4570.2 Ų70.222%0.22237%0.374CS..Hα-helixtrans-69.5-44.6177.7-67-178.3-71.400111.6R398 M402 Q426 L427 M428 L432 G433 L442R398-M430 HydrophobicContact CG-SD 4.32Å; M402-M430 HydrophobicContact CE-CE 4.06Å; M402-M430 HydrophobicContact CE-SD 4.27Å; Q426-M430 WeakPolarHBondContact O-CE 3.46Å; Q426-M430 WeakPolarHBondContact O-CG 3.42Å; Q426-M430 PolarHBondContact O-N 3.39Å; L427-M430 HydrophobicContact CD2-CE 3.72Å; L427-M430 PolarHBondContact O-N 3.26Å; L427-M430 VanDerWaalsContact O-N 3.1Å; M428-M430 VanDerWaalsContact C-N 3.31Å; M428-M430 PolarHBondContact O-N 3.48Å; M430-L432 PolarHBondContact O-N 3.1Å; M430-G433 PolarHBondContact O-N 3.21Å; M430-L442 HydrophobicContact CB-CD1 4.24Å; M430-L442 HydrophobicContact CB-CD2 3.69Å; M430-L442 HydrophobicContact CE-CD1 4.06Å
431M93.5Very high89.9Confident0 Ų063.6 Ų63.60%034%0.344CS..Hα-helixtrans-60.7-32.4177.4-71.6-170.275.500113.4L427 M428 L438 L442 V443 C446 L468 R471 V480 M483L427-M431 WeakPolarHBondContact O-CG 3.38Å; L427-M431 PolarHBondContact O-N 3.18Å; M428-M431 PolarHBondContact O-N 3.19Å; M431-L438 HydrophobicContact CE-CD1 3.93Å; M431-L438 HydrophobicContact CG-CD1 4.36Å; M431-L442 HydrophobicContact CG-CD1 4.24Å; M431-L442 HydrophobicContact CG-CD2 4Å; M431-L442 HydrophobicContact CG-CG 4Å; M431-V443 HydrophobicContact CE-CG2 4.44Å; M431-C446 HydrophobicContact SD-CB 3.81Å; M431-C446 PolarHBondContact SD-SG 3.26Å; M431-L468 HydrophobicContact CE-CD2 3.89Å; M431-L468 HydrophobicContact SD-CD2 4.3Å; M431-R471 WeakPolarHBondContact O-CD 3.46Å; M431-R471 PolarHBondContact O-NE 2.99Å; M431-R471 PolarHBondContact O-NH1 3.27Å; M431-V480 HydrophobicContact CE-CG1 4.26Å; M431-V480 HydrophobicContact CE-CG2 3.91Å; M431-M483 HydrophobicContact CE-SD 3.57Å; M431-M483 VanDerWaalsContact CE-SD 3.57Å; M431-M483 HydrophobicContact SD-CE 4.2Å; M431-M483 HydrophobicContact SD-SD 3.75Å
432L92.4Very high89.9Confident64 Ų6462.9 Ų62.934%0.33534%0.339SS..THydrogen-bonded Turntrans-96.2-1.4-178.1-60.2176.8000113.3M428 M430 G434 L467 L468M428-L432 HydrophobicContact CE-CD1 4.02Å; M428-L432 WeakPolarHBondContact O-CB 3.5Å; M428-L432 WeakPolarHBondContact O-CG 3.45Å; M428-L432 PolarHBondContact O-N 3.32Å; M430-L432 PolarHBondContact O-N 3.1Å; L432-G434 PolarHBondContact O-N 3.35Å; L432-L467 HydrophobicContact CD1-CB 3.96Å; L432-L467 HydrophobicContact CD1-CD1 3.85Å; L432-L467 HydrophobicContact CD2-CB 3.87Å; L432-L468 HydrophobicContact CD2-CD2 4.48Å
433G82.3Confident89.9Confident67 Ų6757.4 Ų57.469%0.69131%0.31SS*.SBendtrans-78.6-4.6-166.300000117.5K429 M430K429-G433 WeakPolarHBondContact O-CA 3.36Å; K429-G433 PolarHBondContact O-N 3.09Å; K429-G433 VanDerWaalsContact O-N 3.14Å; M430-G433 PolarHBondContact O-N 3.21Å
434G74.2Confident89.9Confident39 Ų3957.4 Ų57.440%0.40231%0.31SS..  trans-174.8176.8-179.300000113.1L432 R471L432-G434 PolarHBondContact O-N 3.35Å; G434-R471 PolarHBondContact O-NH1 3.33Å
435E68.8Low89.8Confident140 Ų14057.4 Ų57.465%0.65431%0.31SS*.SBendtrans-95.86.6175.3-59.5-164.4169.500113.1K474E435-K474 IonicContact OE1-NZ 2.7Å; E435-K474 PolarHBondContact OE1-NZ 2.86Å; E435-K474 IonicContact OE2-NZ 3.42Å; E435-K474 PolarHBondContact OE2-NZ 3.25Å; E435-K474 VanDerWaalsContact OE2-NZ 3.14Å
436E77.4Confident89.9Confident165 Ų16554.3 Ų54.377%0.77129%0.29SS*.SBendtrans-75.1160.6179.2-64.3178.6177.900111.6L438 R471E436-L438 PolarHBondContact O-N 2.82Å; E436-R471 PolarHBondContact O-NH2 3.49Å
437Q81.7Confident90Very high186 Ų18652.9 Ų52.987%0.86928%0.284SS*.PPolyproline II helixtrans-59.1132.8173-173.5170.65.500109.2
438L89.1Confident90Very high23 Ų2353.7 Ų53.712%0.1229%0.288CS..PPolyproline II helixtrans-73.8145.5179.4-64.3178.6000110.6M431 E436 V440 L442 V480M431-L438 HydrophobicContact CE-CD1 3.93Å; M431-L438 HydrophobicContact CG-CD1 4.36Å; E436-L438 PolarHBondContact O-N 2.82Å; L438-V440 PolarHBondContact O-N 3.14Å; L438-L442 HydrophobicContact CD2-CD2 4.33Å; L438-V480 HydrophobicContact CD1-CG2 3.62Å
439D88.8Confident90.1Very high94 Ų9452.7 Ų52.750%0.50328%0.283SS..PPolyproline II helixtrans-58134.4167.2-62.5-42.7000109.6E441 L442 V443D439-E441 PolarHBondContact O-N 3.49Å; D439-L442 HydrophobicContact CB-CB 4.17Å; D439-L442 WeakPolarHBondContact O-CB 2.82Å; D439-L442 PolarHBondContact O-N 3.05Å; D439-L442 VanDerWaalsContact O-N 3.15Å; D439-V443 PolarHBondContact O-N 3.35Å
440V89Confident90.2Very high60 Ų6044.8 Ų44.836%0.36425%0.249SC..Hα-helixtrans-61.1-37.8-178.3179.60000109.8L438 L442 V443 S444 F779 F780L438-V440 PolarHBondContact O-N 3.14Å; V440-L442 VanDerWaalsContact C-N 3.28Å; V440-L442 PolarHBondContact O-N 3.27Å; V440-V443 WeakPolarHBondContact O-CG1 3.16Å; V440-V443 PolarHBondContact O-N 3.32Å; V440-S444 VanDerWaalsContact O-CB 3.23Å; V440-S444 WeakPolarHBondContact O-CB 3.29Å; V440-S444 PolarHBondContact O-N 3.06Å; V440-S444 PolarHBondContact O-OG 3.42Å; V440-F779 HydrophobicContact CG1-CB 4.32Å; V440-F780 HydrophobicContact CB-CZ 4.01Å; V440-F780 HydrophobicContact CG1-CE2 4.19Å; V440-F780 HydrophobicContact CG1-CZ 3.86Å
441E89.2Confident90.3Very high24 Ų2443.4 Ų43.411%0.11224%0.244CC..Hα-helixtrans-57.9-43.4178.6-71.978.1166.400111.2Q399 M402 D439 L445 F780Q399-E441 VanDerWaalsContact NE2-CG 3.35Å; Q399-E441 PolarHBondContact NE2-OE1 2.94Å; Q399-E441 PolarHBondContact NE2-OE2 2.82Å; M402-E441 HydrophobicContact CG-CB 4.26Å; M402-E441 HydrophobicContact SD-CB 3.68Å; D439-E441 PolarHBondContact O-N 3.49Å; E441-L445 WeakPolarHBondContact O-CB 3.49Å; E441-L445 PolarHBondContact O-N 2.85Å; E441-F780 HydrophobicContact CB-CE1 4.33Å; E441-F780 HydrophobicContact CB-CE2 4.21Å; E441-F780 HydrophobicContact CB-CZ 3.76Å; E441-F780 HydrophobicContact CG-CD1 4.09Å; E441-F780 HydrophobicContact CG-CE1 3.27Å; E441-F780 HydrophobicContact CG-CE2 3.93Å; E441-F780 HydrophobicContact CG-CZ 3.18Å; E441-F780 WeakPolarHBondContact OE1-CE1 3.29Å
442L95.1Very high90.4Very high5 Ų544.7 Ų44.73%0.02625%0.251CS..Hα-helixtrans-66.1-52.5-177.5172.659.9000110.3M402 L427 M430 M431 L438 D439 V440 L445 C446M402-L442 HydrophobicContact CE-CB 4.27Å; M402-L442 HydrophobicContact CE-CD1 4.28Å; M402-L442 WeakPolarHBondContact SD-CA 3.46Å; M402-L442 HydrophobicContact SD-CB 3.72Å; M402-L442 HydrophobicContact SD-CD1 4.4Å; M402-L442 PolarHBondContact SD-N 3.42Å; L427-L442 HydrophobicContact CB-CD1 4.1Å; L427-L442 HydrophobicContact CD2-CD1 3.55Å; L427-L442 HydrophobicContact CG-CD1 4.39Å; M430-L442 HydrophobicContact CB-CD1 4.24Å; M430-L442 HydrophobicContact CB-CD2 3.69Å; M430-L442 HydrophobicContact CE-CD1 4.06Å; M431-L442 HydrophobicContact CG-CD1 4.24Å; M431-L442 HydrophobicContact CG-CD2 4Å; M431-L442 HydrophobicContact CG-CG 4Å; L438-L442 HydrophobicContact CD2-CD2 4.33Å; D439-L442 HydrophobicContact CB-CB 4.17Å; D439-L442 WeakPolarHBondContact O-CB 2.82Å; D439-L442 PolarHBondContact O-N 3.05Å; D439-L442 VanDerWaalsContact O-N 3.15Å; V440-L442 VanDerWaalsContact C-N 3.28Å; V440-L442 PolarHBondContact O-N 3.27Å; L442-L445 PolarHBondContact O-N 3.47Å; L442-C446 PolarHBondContact O-N 3.2Å; L442-C446 PolarHBondContact O-SG 3.08Å
443V95.6Very high90.6Very high3 Ų348.2 Ų48.22%0.01826%0.26CS..Hα-helixtrans-70-38.5-177.269.40000111.3M431 D439 V440 L445 C446 I447 L479 V480M431-V443 HydrophobicContact CE-CG2 4.44Å; D439-V443 PolarHBondContact O-N 3.35Å; V440-V443 WeakPolarHBondContact O-CG1 3.16Å; V440-V443 PolarHBondContact O-N 3.32Å; V443-L445 PolarHBondContact O-N 3.22Å; V443-C446 CarbonylContact O-C 3.58Å; V443-C446 PolarHBondContact O-N 3.15Å; V443-C446 VanDerWaalsContact O-N 3.11Å; V443-I447 HydrophobicContact CG2-CD1 4.13Å; V443-I447 HydrophobicContact CG2-CG1 4.36Å; V443-I447 VanDerWaalsContact O-CG1 3.26Å; V443-I447 WeakPolarHBondContact O-CG1 3.38Å; V443-I447 PolarHBondContact O-N 2.88Å; V443-L479 HydrophobicContact CB-CB 4.42Å; V443-L479 HydrophobicContact CG1-CB 3.94Å; V443-L479 HydrophobicContact CG1-CD1 3.63Å; V443-L479 HydrophobicContact CG1-CG 4.42Å; V443-L479 HydrophobicContact CG2-CB 3.62Å; V443-V480 HydrophobicContact CG2-CG2 4.29Å
444S95.6Very high91.3Very high1 Ų147.3 Ų47.31%0.00724%0.243CC..Hα-helixtrans-62.3-41.8175.7-64.20000112.5V440 C446 I447 N448 F779V440-S444 VanDerWaalsContact O-CB 3.23Å; V440-S444 WeakPolarHBondContact O-CB 3.29Å; V440-S444 PolarHBondContact O-N 3.06Å; V440-S444 PolarHBondContact O-OG 3.42Å; S444-C446 VanDerWaalsContact C-N 3.33Å; S444-C446 PolarHBondContact O-N 3.43Å; S444-I447 PolarHBondContact O-N 3.28Å; S444-N448 PolarHBondContact O-N 2.96Å; S444-N448 VanDerWaalsContact O-N 3.09Å; S444-F779 WeakPolarHBondContact OG-CD2 3.08Å; S444-F779 WeakPolarHBondContact OG-CG 3.4Å
445L97.7Very high92.4Very high0 Ų045.5 Ų45.50%022%0.224CC..Hα-helixtrans-60.7-44.4172174.256.9000110.9M402 L405 Y406 F418 L427 E441 L442 V443 N448 L449M402-L445 HydrophobicContact CG-CD2 3.95Å; L405-L445 HydrophobicContact CB-CD1 4.34Å; L405-L445 HydrophobicContact CB-CD2 3.96Å; Y406-L445 HydrophobicContact CD2-CB 4.48Å; F418-L445 HydrophobicContact CE1-CD1 4.35Å; L427-L445 HydrophobicContact CD1-CD2 3.77Å; L427-L445 HydrophobicContact CD1-CG 3.89Å; L427-L445 HydrophobicContact CD2-CD2 3.77Å; L427-L445 HydrophobicContact CG-CD2 4.44Å; E441-L445 WeakPolarHBondContact O-CB 3.49Å; E441-L445 PolarHBondContact O-N 2.85Å; L442-L445 PolarHBondContact O-N 3.47Å; V443-L445 PolarHBondContact O-N 3.22Å; L445-N448 PolarHBondContact O-N 3.23Å; L445-L449 HydrophobicContact CD1-CD1 3.79Å; L445-L449 HydrophobicContact CD1-CD2 4.33Å; L445-L449 HydrophobicContact CD1-CG 3.83Å; L445-L449 HydrophobicContact CG-CD1 4.04Å; L445-L449 HydrophobicContact CG-CG 4.4Å; L445-L449 WeakPolarHBondContact O-CB 3.42Å; L445-L449 VanDerWaalsContact O-CG 3.27Å; L445-L449 WeakPolarHBondContact O-CG 3.39Å; L445-L449 PolarHBondContact O-N 3.43Å
446C98.4Very high93.8Very high0 Ų038.8 Ų38.80%019%0.193CC..Hα-helixtrans-65.9-39.7179.6-63.50000113M431 L442 V443 S444 N448 L449 A450 F459 M483M431-C446 HydrophobicContact SD-CB 3.81Å; M431-C446 PolarHBondContact SD-SG 3.26Å; L442-C446 PolarHBondContact O-N 3.2Å; L442-C446 PolarHBondContact O-SG 3.08Å; V443-C446 CarbonylContact O-C 3.58Å; V443-C446 PolarHBondContact O-N 3.15Å; V443-C446 VanDerWaalsContact O-N 3.11Å; S444-C446 VanDerWaalsContact C-N 3.33Å; S444-C446 PolarHBondContact O-N 3.43Å; C446-N448 PolarHBondContact O-N 2.98Å; C446-L449 PolarHBondContact O-N 2.95Å; C446-A450 WeakPolarHBondContact O-CB 3.19Å; C446-A450 PolarHBondContact O-N 3.17Å; C446-F459 HydrophobicContact CB-CE1 4.31Å; C446-F459 HydrophobicContact CB-CZ 4.03Å; C446-M483 HydrophobicContact CB-CE 3.93Å; C446-M483 HydrophobicContact CB-CG 4.31Å; C446-M483 HydrophobicContact CB-SD 3.52Å; C446-M483 VanDerWaalsContact CB-SD 3.52Å
447I98.1Very high94.7Very high8 Ų835.2 Ų35.24%0.04118%0.176CC..Hα-helixtrans-57.6-48.7173.8-69.9165.1000110.2V443 S444 A450 A451 L479 K482 M483 N486V443-I447 HydrophobicContact CG2-CD1 4.13Å; V443-I447 HydrophobicContact CG2-CG1 4.36Å; V443-I447 VanDerWaalsContact O-CG1 3.26Å; V443-I447 WeakPolarHBondContact O-CG1 3.38Å; V443-I447 PolarHBondContact O-N 2.88Å; S444-I447 PolarHBondContact O-N 3.28Å; I447-A450 PolarHBondContact O-N 3.33Å; I447-A451 PolarHBondContact O-N 3.47Å; I447-L479 HydrophobicContact CD1-CB 4.24Å; I447-L479 HydrophobicContact CD1-CD2 4.28Å; I447-K482 HydrophobicContact CD1-CB 4.4Å; I447-K482 HydrophobicContact CD1-CD 4.46Å; I447-K482 HydrophobicContact CD1-CG 4.49Å; I447-K482 HydrophobicContact CG2-CG 4.44Å; I447-M483 HydrophobicContact CG1-CB 3.79Å; I447-N486 WeakPolarHBondContact CG2-ND2 3.45Å; I447-N486 PolarHBondContact O-ND2 3.21Å
448N97.6Very high95.4Very high17 Ų1727.5 Ų27.59%0.09114%0.142CC..Hα-helixtrans-61.7-46.3178.7-79.3-5.8000111.9Y406 S409 K415 S444 L445 C446 A451Y406-N448 VanDerWaalsContact CE2-ND2 3.34Å; Y406-N448 WeakPolarHBondContact CE2-ND2 3.42Å; S409-N448 VanDerWaalsContact OG-CB 3.3Å; S409-N448 WeakPolarHBondContact OG-CB 3.44Å; S409-N448 PolarHBondContact OG-ND2 3.13Å; K415-N448 VanDerWaalsContact CD-O 3.29Å; K415-N448 WeakPolarHBondContact CD-O 3.39Å; K415-N448 WeakPolarHBondContact CE-O 3.45Å; K415-N448 PolarHBondContact NZ-O 3.17Å; S444-N448 PolarHBondContact O-N 2.96Å; S444-N448 VanDerWaalsContact O-N 3.09Å; L445-N448 PolarHBondContact O-N 3.23Å; C446-N448 PolarHBondContact O-N 2.98Å; N448-A451 WeakPolarHBondContact O-CB 3.29Å; N448-A451 PolarHBondContact O-N 3.37Å
449L98.1Very high95.9Very high0 Ų026.5 Ų26.50%014%0.136CC..Hα-helixtrans-68.2-37.8-179.3-66.4-177.9000112F418 I424 L427 L445 C446 A451 N452 N455 F459F418-L449 HydrophobicContact CB-CD1 4.31Å; F418-L449 HydrophobicContact CB-CD2 3.92Å; F418-L449 HydrophobicContact CD1-CD1 3.68Å; F418-L449 HydrophobicContact CD1-CD2 3.63Å; F418-L449 HydrophobicContact CD1-CG 4.31Å; F418-L449 HydrophobicContact CD2-CD2 3.57Å; F418-L449 HydrophobicContact CE1-CD1 4.18Å; F418-L449 HydrophobicContact CE1-CD2 3.91Å; F418-L449 HydrophobicContact CE2-CD2 3.88Å; F418-L449 HydrophobicContact CG-CD1 4.13Å; F418-L449 HydrophobicContact CG-CD2 3.43Å; F418-L449 VanDerWaalsContact CG-CD2 3.43Å; F418-L449 HydrophobicContact CG-CG 4.44Å; F418-L449 HydrophobicContact CZ-CD2 4.04Å; I424-L449 HydrophobicContact CG1-CD1 4.19Å; L427-L449 HydrophobicContact CD1-CD1 3.75Å; L445-L449 HydrophobicContact CD1-CD1 3.79Å; L445-L449 HydrophobicContact CD1-CD2 4.33Å; L445-L449 HydrophobicContact CD1-CG 3.83Å; L445-L449 HydrophobicContact CG-CD1 4.04Å; L445-L449 HydrophobicContact CG-CG 4.4Å; L445-L449 WeakPolarHBondContact O-CB 3.42Å; L445-L449 VanDerWaalsContact O-CG 3.27Å; L445-L449 WeakPolarHBondContact O-CG 3.39Å; L445-L449 PolarHBondContact O-N 3.43Å; C446-L449 PolarHBondContact O-N 2.95Å; L449-A451 PolarHBondContact O-N 2.81Å; L449-N452 PolarHBondContact O-N 2.9Å; L449-N455 HydrophobicContact CB-CB 4.43Å; L449-N455 WeakPolarHBondContact O-CB 3.47Å; L449-N455 PolarHBondContact O-ND2 3.01Å; L449-F459 HydrophobicContact CB-CE2 3.73Å; L449-F459 HydrophobicContact CB-CZ 4.12Å
450A98Very high96.2Very high0 Ų022.4 Ų22.40%012%0.115CC..Hα-helixtrans-60.6-25.2176.900000112.6C446 I447 N452 F459 M483 N486 L487 H490C446-A450 WeakPolarHBondContact O-CB 3.19Å; C446-A450 PolarHBondContact O-N 3.17Å; I447-A450 PolarHBondContact O-N 3.33Å; A450-N452 PolarHBondContact O-N 3.04Å; A450-N452 VanDerWaalsContact O-N 3.14Å; A450-F459 HydrophobicContact CB-CD2 4.43Å; A450-F459 HydrophobicContact CB-CE2 4.38Å; A450-M483 HydrophobicContact CB-CG 3.8Å; A450-N486 HydrophobicContact CB-CB 3.81Å; A450-L487 HydrophobicContact CB-CD2 3.61Å; A450-L487 HydrophobicContact CB-CG 3.98Å; A450-H490 PolarHBondContact O-CD2 3.05Å; A450-H490 PolarHBondContact O-NE2 3.3Å
451A95.6Very high96.5Very high15 Ų1525.7 Ų25.712%0.12413%0.126CC..THydrogen-bonded Turntrans-71.1-1175.200000114.4I447 N448 L449 Q489 H490 F773I447-A451 PolarHBondContact O-N 3.47Å; N448-A451 WeakPolarHBondContact O-CB 3.29Å; N448-A451 PolarHBondContact O-N 3.37Å; L449-A451 PolarHBondContact O-N 2.81Å; A451-Q489 PolarHBondContact O-NE2 3.38Å; A451-H490 PolarHBondContact O-CE1 3.04Å; A451-F773 HydrophobicContact CB-CD2 4.22Å; A451-F773 HydrophobicContact CB-CE2 3.55Å
452N96.8Very high96.7Very high27 Ų2728.2 Ų28.214%0.14416%0.159CC..SBendtrans-109.6135.2173.9-179.1-89.4000112.1K415 P416 L449 A450 S454 N455 A456 H490K415-N452 HydrophobicContact CB-CB 3.66Å; K415-N452 HydrophobicContact CD-CB 4.21Å; P416-N452 WeakPolarHBondContact CG-ND2 3.34Å; L449-N452 PolarHBondContact O-N 2.9Å; A450-N452 PolarHBondContact O-N 3.04Å; A450-N452 VanDerWaalsContact O-N 3.14Å; N452-S454 PolarHBondContact O-N 3.13Å; N452-S454 PolarHBondContact OD1-N 2.95Å; N452-S454 VanDerWaalsContact OD1-N 3.07Å; N452-N455 HydrophobicContact CB-CB 4.24Å; N452-N455 PolarHBondContact O-N 3.16Å; N452-N455 PolarHBondContact OD1-N 2.96Å; N452-A456 WeakPolarHBondContact O-CB 3.3Å; N452-A456 PolarHBondContact O-N 3.49Å; N452-H490 VanDerWaalsContact C-CE1 3.44Å
453R95.6Very high96.7Very high139 Ų13933.2 Ų33.253%0.52519%0.186SC..Hα-helixtrans-56.9-45.5-175.7-175.1177.6-174-173.61.5114.1A456 Q457 H490R453-A456 PolarHBondContact O-N 3.09Å; R453-Q457 WeakPolarHBondContact O-CG 3.35Å; R453-Q457 PolarHBondContact O-N 3.06Å; R453-H490 WeakPolarHBondContact CA-ND1 3.35Å; R453-H490 HydrophobicContact CG-CB 4.33Å; R453-H490 PolarHBondContact N-CE1 3.43Å; R453-H490 VanDerWaalsContact N-CE1 3.29Å
454S96.6Very high96.7Very high48 Ų4833.4 Ų33.434%0.33619%0.188SC..Hα-helixtrans-68.5-41.9-177.8-56.90000111.1N452 Q457 V458N452-S454 PolarHBondContact O-N 3.13Å; N452-S454 PolarHBondContact OD1-N 2.95Å; N452-S454 VanDerWaalsContact OD1-N 3.07Å; S454-Q457 WeakPolarHBondContact O-CB 3.15Å; S454-Q457 PolarHBondContact O-N 3.21Å; S454-V458 PolarHBondContact O-N 3.36Å
455N97.8Very high96.8Very high0 Ų033.6 Ų33.60%019%0.189CC..Hα-helixtrans-66-39.8175.8-66.5-15.3000112.1K415 A419 I424 L449 N452 Q457 V458 F459K415-N455 PolarHBondContact O-ND2 3.17Å; K415-N455 PolarHBondContact O-OD1 3.35Å; A419-N455 WeakPolarHBondContact CA-OD1 3.36Å; A419-N455 WeakPolarHBondContact CB-OD1 3.1Å; A419-N455 PolarHBondContact N-OD1 3.35Å; I424-N455 HydrophobicContact CD1-CB 3.56Å; L449-N455 HydrophobicContact CB-CB 4.43Å; L449-N455 WeakPolarHBondContact O-CB 3.47Å; L449-N455 PolarHBondContact O-ND2 3.01Å; N452-N455 HydrophobicContact CB-CB 4.24Å; N452-N455 PolarHBondContact O-N 3.16Å; N452-N455 PolarHBondContact OD1-N 2.96Å; N455-Q457 VanDerWaalsContact C-N 3.26Å; N455-Q457 PolarHBondContact O-N 3.45Å; N455-V458 PolarHBondContact O-N 3.34Å; N455-V458 VanDerWaalsContact O-N 3.08Å; N455-F459 VanDerWaalsContact O-CD2 3.28Å; N455-F459 WeakPolarHBondContact O-CD2 3.02Å; N455-F459 PolarHBondContact O-N 2.81Å
456A97.4Very high96.8Very high0 Ų039.8 Ų39.80%022%0.216CC..Hα-helixtrans-61-36.117800000112.2N452 R453 F459 C460 L487 H490N452-A456 WeakPolarHBondContact O-CB 3.3Å; N452-A456 PolarHBondContact O-N 3.49Å; R453-A456 PolarHBondContact O-N 3.09Å; A456-F459 PolarHBondContact O-N 3.32Å; A456-C460 WeakPolarHBondContact O-CB 3.4Å; A456-C460 PolarHBondContact O-N 3.15Å; A456-C460 VanDerWaalsContact O-N 3.13Å; A456-C460 PolarHBondContact O-SG 3.06Å; A456-L487 HydrophobicContact CB-CD2 3.58Å; A456-H490 WeakPolarHBondContact CB-CD2 3.39Å
457Q96.6Very high96.7Very high90 Ų9043.3 Ų43.342%0.42124%0.235SC..Hα-helixtrans-59.1-49.5171.2-71.7173.4-8.600110.9R453 S454 N455 F459 C460 E461R453-Q457 WeakPolarHBondContact O-CG 3.35Å; R453-Q457 PolarHBondContact O-N 3.06Å; S454-Q457 WeakPolarHBondContact O-CB 3.15Å; S454-Q457 PolarHBondContact O-N 3.21Å; N455-Q457 VanDerWaalsContact C-N 3.26Å; N455-Q457 PolarHBondContact O-N 3.45Å; Q457-F459 PolarHBondContact O-N 3.3Å; Q457-C460 CarbonylContact O-C 3.59Å; Q457-C460 PolarHBondContact O-N 2.63Å; Q457-C460 VanDerWaalsContact O-N 3.11Å; Q457-E461 WeakPolarHBondContact O-CG 3.25Å; Q457-E461 PolarHBondContact O-N 3.1Å; Q457-E461 VanDerWaalsContact O-N 3.1Å
458V97.7Very high96.7Very high24 Ų2443 Ų4315%0.14523%0.233CC..Hα-helixtrans-62.6-42179.4-174.60000112.1A419 I424 S454 N455 C460 E461A419-V458 HydrophobicContact CB-CG2 4.08Å; I424-V458 HydrophobicContact CB-CB 4.46Å; I424-V458 HydrophobicContact CB-CG1 3.88Å; I424-V458 HydrophobicContact CD1-CB 4.03Å; I424-V458 HydrophobicContact CD1-CG1 4.3Å; I424-V458 HydrophobicContact CG2-CB 4.09Å; I424-V458 HydrophobicContact CG2-CG1 3.64Å; S454-V458 PolarHBondContact O-N 3.36Å; N455-V458 PolarHBondContact O-N 3.34Å; N455-V458 VanDerWaalsContact O-N 3.08Å; V458-C460 PolarHBondContact O-N 3.18Å; V458-E461 WeakPolarHBondContact O-CB 3.11Å; V458-E461 PolarHBondContact O-N 2.88Å
459F98.1Very high96.7Very high1 Ų142.2 Ų42.20%0.00423%0.228CC..Hα-helixtrans-59.3-34.2174.6-83-63.3000113I424 M428 C446 L449 A450 N455 A456 Q457 G464 M483 L487I424-F459 HydrophobicContact CB-CE1 4.49Å; I424-F459 HydrophobicContact CD1-CD2 4.36Å; I424-F459 HydrophobicContact CD1-CE2 4.14Å; I424-F459 HydrophobicContact CG1-CE2 4.12Å; I424-F459 HydrophobicContact CG1-CZ 4.05Å; I424-F459 HydrophobicContact CG2-CD1 3.5Å; I424-F459 VanDerWaalsContact CG2-CD1 3.5Å; I424-F459 HydrophobicContact CG2-CD2 4.14Å; I424-F459 HydrophobicContact CG2-CE1 3.6Å; I424-F459 HydrophobicContact CG2-CE2 4.22Å; I424-F459 HydrophobicContact CG2-CG 3.78Å; I424-F459 HydrophobicContact CG2-CZ 3.97Å; M428-F459 HydrophobicContact CG-CD1 3.65Å; M428-F459 HydrophobicContact CG-CE1 3.99Å; M428-F459 HydrophobicContact SD-CD1 3.6Å; M428-F459 HydrophobicContact SD-CE1 4.11Å; C446-F459 HydrophobicContact CB-CE1 4.31Å; C446-F459 HydrophobicContact CB-CZ 4.03Å; L449-F459 HydrophobicContact CB-CE2 3.73Å; L449-F459 HydrophobicContact CB-CZ 4.12Å; A450-F459 HydrophobicContact CB-CD2 4.43Å; A450-F459 HydrophobicContact CB-CE2 4.38Å; N455-F459 VanDerWaalsContact O-CD2 3.28Å; N455-F459 WeakPolarHBondContact O-CD2 3.02Å; N455-F459 PolarHBondContact O-N 2.81Å; A456-F459 PolarHBondContact O-N 3.32Å; Q457-F459 PolarHBondContact O-N 3.3Å; F459-G464 WeakPolarHBondContact O-CA 3.33Å; F459-M483 HydrophobicContact CB-CE 4.43Å; F459-M483 HydrophobicContact CD1-CE 3.24Å; F459-M483 HydrophobicContact CD2-CE 4.1Å; F459-M483 HydrophobicContact CE1-CE 3.26Å; F459-M483 HydrophobicContact CE2-CE 4.11Å; F459-M483 HydrophobicContact CG-CE 3.69Å; F459-M483 HydrophobicContact CZ-CE 3.73Å; F459-L487 HydrophobicContact CB-CD1 4.27Å; F459-L487 HydrophobicContact CB-CD2 3.77Å; F459-L487 HydrophobicContact CD2-CD2 4Å; F459-L487 HydrophobicContact CG-CD2 4.19Å
460C96.6Very high96.6Very high8 Ų851 Ų515%0.05426%0.262CS..THydrogen-bonded Turntrans-91.9-0.1-177.5-62.40000113.7A456 Q457 V458 L465 T494 L497A456-C460 WeakPolarHBondContact O-CB 3.4Å; A456-C460 PolarHBondContact O-N 3.15Å; A456-C460 VanDerWaalsContact O-N 3.13Å; A456-C460 PolarHBondContact O-SG 3.06Å; Q457-C460 CarbonylContact O-C 3.59Å; Q457-C460 PolarHBondContact O-N 2.63Å; Q457-C460 VanDerWaalsContact O-N 3.11Å; V458-C460 PolarHBondContact O-N 3.18Å; C460-L465 HydrophobicContact CB-CB 4.48Å; C460-T494 HydrophobicContact CB-CG2 4.12Å; C460-T494 VanDerWaalsContact SG-CG2 3.59Å; C460-L497 HydrophobicContact CB-CD1 3.65Å
461E94.1Very high96.4Very high130 Ų13052.1 Ų52.161%0.60727%0.266SS*.SBendtrans-58.9140.2178.9-78.9177.3-173.100112Q457 V458 N463 G464Q457-E461 WeakPolarHBondContact O-CG 3.25Å; Q457-E461 PolarHBondContact O-N 3.1Å; Q457-E461 VanDerWaalsContact O-N 3.1Å; V458-E461 WeakPolarHBondContact O-CB 3.11Å; V458-E461 PolarHBondContact O-N 2.88Å; E461-N463 PolarHBondContact O-N 3.1Å; E461-N463 VanDerWaalsContact O-N 3.17Å; E461-G464 PolarHBondContact O-N 3.29Å; E461-G464 VanDerWaalsContact O-N 3.08Å
462G93.1Very high96.5Very high77 Ų7751.4 Ų51.479%0.79426%0.26SS*.THydrogen-bonded Turntrans61.1-115.8-17800000112.5
463N94.8Very high96.4Very high110 Ų11051.6 Ų51.659%0.58826%0.261SS*.THydrogen-bonded Turntrans-104.215.5179.1-70.2-44.6000112.8E461 L465 K466 L467E461-N463 PolarHBondContact O-N 3.1Å; E461-N463 VanDerWaalsContact O-N 3.17Å; N463-L465 PolarHBondContact O-N 2.79Å; N463-K466 PolarHBondContact O-N 3.41Å; N463-L467 HydrophobicContact CB-CD1 4.3Å; N463-L467 HydrophobicContact CB-CG 4.35Å; N463-L467 WeakPolarHBondContact O-CG 3.04Å; N463-L467 PolarHBondContact O-N 3.23Å
464G96.5Very high96.3Very high7 Ų750.9 Ų50.97%0.07226%0.261CS..Hα-helixtrans-53.8-55.5-172.100000113.6F459 E461 K466 L467 L468F459-G464 WeakPolarHBondContact O-CA 3.33Å; E461-G464 PolarHBondContact O-N 3.29Å; E461-G464 VanDerWaalsContact O-N 3.08Å; G464-K466 PolarHBondContact O-N 2.83Å; G464-L467 PolarHBondContact O-N 3.43Å; G464-L468 WeakPolarHBondContact O-CG 3.41Å; G464-L468 PolarHBondContact O-N 3.12Å
465L97.6Very high96.2Very high4 Ų451.7 Ų51.72%0.02126%0.262CS..Hα-helixtrans-58.2-47178.2178.762.7000111.9C460 N463 L467 L468 M469 I484 L487 L497 F498C460-L465 HydrophobicContact CB-CB 4.48Å; N463-L465 PolarHBondContact O-N 2.79Å; L465-L467 VanDerWaalsContact C-N 3.28Å; L465-L467 PolarHBondContact O-N 2.98Å; L465-L468 PolarHBondContact O-N 3.07Å; L465-M469 HydrophobicContact CD1-CG 4.03Å; L465-M469 HydrophobicContact CG-CG 4.21Å; L465-M469 WeakPolarHBondContact O-CB 3.03Å; L465-M469 WeakPolarHBondContact O-CG 3.49Å; L465-M469 PolarHBondContact O-N 3.44Å; L465-I484 HydrophobicContact CD1-CG2 4.27Å; L465-L487 HydrophobicContact CD1-CD1 4.47Å; L465-L497 HydrophobicContact CD2-CB 3.56Å; L465-F498 HydrophobicContact CD1-CE1 3.84Å; L465-F498 HydrophobicContact CD1-CE2 4.11Å; L465-F498 HydrophobicContact CD1-CZ 3.57Å; L465-F498 HydrophobicContact CD2-CD1 4.27Å; L465-F498 HydrophobicContact CD2-CD2 3.75Å; L465-F498 HydrophobicContact CD2-CE1 4.25Å; L465-F498 HydrophobicContact CD2-CE2 3.72Å; L465-F498 HydrophobicContact CD2-CG 4.04Å; L465-F498 HydrophobicContact CD2-CZ 3.97Å; L465-F498 HydrophobicContact CG-CZ 4.44Å
466K97.4Very high96Very high131 Ų13155.2 Ų55.257%0.5728%0.277SS*.Hα-helixtrans-58.8-39.2-179.6-178.5173.2-175.9166.20112.5N463 G464 R470N463-K466 PolarHBondContact O-N 3.41Å; G464-K466 PolarHBondContact O-N 2.83Å; K466-R470 WeakPolarHBondContact O-CB 3.33Å; K466-R470 PolarHBondContact O-N 2.96Å; K466-R470 VanDerWaalsContact O-N 3.08Å
467L96.9Very high95.8Very high74 Ų7456.7 Ų56.739%0.38729%0.285SS..Hα-helixtrans-72.8-39.8178.2-67.2173000111.9L432 N463 G464 L465 R470 R471L432-L467 HydrophobicContact CD1-CB 3.96Å; L432-L467 HydrophobicContact CD1-CD1 3.85Å; L432-L467 HydrophobicContact CD2-CB 3.87Å; N463-L467 HydrophobicContact CB-CD1 4.3Å; N463-L467 HydrophobicContact CB-CG 4.35Å; N463-L467 WeakPolarHBondContact O-CG 3.04Å; N463-L467 PolarHBondContact O-N 3.23Å; G464-L467 PolarHBondContact O-N 3.43Å; L465-L467 VanDerWaalsContact C-N 3.28Å; L465-L467 PolarHBondContact O-N 2.98Å; L467-R470 PolarHBondContact O-N 3.46Å; L467-R471 PolarHBondContact O-N 3.28Å
468L97.4Very high95.7Very high0 Ų054.1 Ų54.10%028%0.276CS..Hα-helixtrans-62.5-49.4173.8-71.5170.6000111.4M428 M431 L432 G464 L465 R470 R471 A472 V480 M483 I484 L487M428-L468 HydrophobicContact CE-CD1 3.92Å; M428-L468 HydrophobicContact CE-CD2 4.33Å; M428-L468 HydrophobicContact CE-CG 3.93Å; M428-L468 HydrophobicContact SD-CD1 3.9Å; M428-L468 HydrophobicContact SD-CD2 4.04Å; M428-L468 HydrophobicContact SD-CG 4.15Å; M431-L468 HydrophobicContact CE-CD2 3.89Å; M431-L468 HydrophobicContact SD-CD2 4.3Å; L432-L468 HydrophobicContact CD2-CD2 4.48Å; G464-L468 WeakPolarHBondContact O-CG 3.41Å; G464-L468 PolarHBondContact O-N 3.12Å; L465-L468 PolarHBondContact O-N 3.07Å; L468-R470 VanDerWaalsContact C-N 3.34Å; L468-R470 PolarHBondContact O-N 3.42Å; L468-R471 PolarHBondContact O-N 3.01Å; L468-R471 VanDerWaalsContact O-N 3.13Å; L468-A472 WeakPolarHBondContact O-CB 3.3Å; L468-A472 PolarHBondContact O-N 2.78Å; L468-V480 HydrophobicContact CD2-CG1 4.22Å; L468-M483 HydrophobicContact CD1-CE 3.81Å; L468-M483 HydrophobicContact CD1-SD 4.47Å; L468-M483 HydrophobicContact CD2-SD 4.49Å; L468-I484 HydrophobicContact CB-CD1 4.01Å; L468-I484 HydrophobicContact CB-CG1 4.1Å; L468-L487 HydrophobicContact CD1-CD1 4.04Å
469M97.8Very high95.6Very high1 Ų155.4 Ų55.41%0.00528%0.281CS..Hα-helixtrans-54-50.3175.2-77.4-60.1-48.300111.3L465 R471 A472 L473 I484 H501 L505L465-M469 HydrophobicContact CD1-CG 4.03Å; L465-M469 HydrophobicContact CG-CG 4.21Å; L465-M469 WeakPolarHBondContact O-CB 3.03Å; L465-M469 WeakPolarHBondContact O-CG 3.49Å; L465-M469 PolarHBondContact O-N 3.44Å; M469-R471 VanDerWaalsContact C-N 3.29Å; M469-R471 PolarHBondContact O-N 2.81Å; M469-A472 PolarHBondContact O-N 3.32Å; M469-L473 HydrophobicContact CE-CD1 3.69Å; M469-L473 HydrophobicContact CE-CD2 4.37Å; M469-L473 HydrophobicContact CE-CG 4.03Å; M469-L473 WeakPolarHBondContact O-CB 3.45Å; M469-L473 VanDerWaalsContact O-CG 3.23Å; M469-L473 WeakPolarHBondContact O-CG 3.33Å; M469-L473 PolarHBondContact O-N 3.01Å; M469-I484 HydrophobicContact SD-CD1 3.92Å; M469-I484 HydrophobicContact SD-CG2 3.6Å; M469-H501 HydrophobicContact CE-CB 4.15Å; M469-H501 HydrophobicContact CG-CB 4.38Å; M469-L505 HydrophobicContact CE-CD1 4.49Å; M469-L505 HydrophobicContact CE-CD2 3.72Å; M469-L505 HydrophobicContact CE-CG 3.86Å; M469-L505 HydrophobicContact SD-CD2 4.45Å
470R96.1Very high95.6Very high184 Ų18455.3 Ų55.369%0.69428%0.281SS*.Hα-helixtrans-58.4-41.6178.5-177.3-179.7177.9-171-0.9112.1K466 L467 L468 K474K466-R470 WeakPolarHBondContact O-CB 3.33Å; K466-R470 PolarHBondContact O-N 2.96Å; K466-R470 VanDerWaalsContact O-N 3.08Å; L467-R470 PolarHBondContact O-N 3.46Å; L468-R470 VanDerWaalsContact C-N 3.34Å; L468-R470 PolarHBondContact O-N 3.42Å; R470-K474 WeakPolarHBondContact O-CB 3.47Å; R470-K474 PolarHBondContact O-N 3.48Å; R470-K474 VanDerWaalsContact O-N 3.11Å
471R95Very high95.6Very high24 Ų2455 Ų559%0.09128%0.278CS..Hα-helixtrans-66.6-53.3177.9-179.3-173.1179.377.36.9111.1M431 G434 E436 L467 L468 M469 L473 K474 L475M431-R471 WeakPolarHBondContact O-CD 3.46Å; M431-R471 PolarHBondContact O-NE 2.99Å; M431-R471 PolarHBondContact O-NH1 3.27Å; G434-R471 PolarHBondContact O-NH1 3.33Å; E436-R471 PolarHBondContact O-NH2 3.49Å; L467-R471 PolarHBondContact O-N 3.28Å; L468-R471 PolarHBondContact O-N 3.01Å; L468-R471 VanDerWaalsContact O-N 3.13Å; M469-R471 VanDerWaalsContact C-N 3.29Å; M469-R471 PolarHBondContact O-N 2.81Å; R471-L473 VanDerWaalsContact C-N 3.34Å; R471-L473 PolarHBondContact O-N 3.41Å; R471-K474 PolarHBondContact O-N 3.21Å; R471-L475 HydrophobicContact CG-CD1 3.95Å; R471-L475 WeakPolarHBondContact O-CB 3.34Å; R471-L475 PolarHBondContact O-N 3.4Å
472A95.8Very high95.8Very high0 Ų050.9 Ų50.90%026%0.258CS..Hα-helixtrans-57.1-47.5-177.200000111.3L468 M469 K476 D477 V480 M481 I484L468-A472 WeakPolarHBondContact O-CB 3.3Å; L468-A472 PolarHBondContact O-N 2.78Å; M469-A472 PolarHBondContact O-N 3.32Å; A472-K476 WeakPolarHBondContact O-CA 3.37Å; A472-K476 PolarHBondContact O-N 3.15Å; A472-D477 PolarHBondContact O-N 2.97Å; A472-V480 HydrophobicContact CB-CB 4.23Å; A472-V480 HydrophobicContact CB-CG1 3.9Å; A472-M481 HydrophobicContact CB-SD 4.28Å; A472-I484 HydrophobicContact CB-CD1 3.67Å
473L95.9Very high96Very high31 Ų3147.2 Ų47.216%0.16222%0.221CC..Hα-helixtrans-68.5-40.3179.2-64.9170.9000112.7M469 R471 D504 Q508 F517M469-L473 HydrophobicContact CE-CD1 3.69Å; M469-L473 HydrophobicContact CE-CD2 4.37Å; M469-L473 HydrophobicContact CE-CG 4.03Å; M469-L473 WeakPolarHBondContact O-CB 3.45Å; M469-L473 VanDerWaalsContact O-CG 3.23Å; M469-L473 WeakPolarHBondContact O-CG 3.33Å; M469-L473 PolarHBondContact O-N 3.01Å; R471-L473 VanDerWaalsContact C-N 3.34Å; R471-L473 PolarHBondContact O-N 3.41Å; L473-D504 HydrophobicContact CD1-CB 3.69Å; L473-Q508 HydrophobicContact CD2-CG 3.51Å; L473-F517 HydrophobicContact CD2-CZ 4.31Å
474K94.2Very high96.2Very high124 Ų12442 Ų4254%0.53919%0.193SC..Hα-helixtrans-65.8-42.1179.4179.8-178.7170.2-175.90111.8E435 R470 R471E435-K474 IonicContact OE1-NZ 2.7Å; E435-K474 PolarHBondContact OE1-NZ 2.86Å; E435-K474 IonicContact OE2-NZ 3.42Å; E435-K474 PolarHBondContact OE2-NZ 3.25Å; E435-K474 VanDerWaalsContact OE2-NZ 3.14Å; R470-K474 WeakPolarHBondContact O-CB 3.47Å; R470-K474 PolarHBondContact O-N 3.48Å; R470-K474 VanDerWaalsContact O-N 3.11Å; R471-K474 PolarHBondContact O-N 3.21Å
475L93.2Very high96.2Very high65 Ų6542.3 Ų42.334%0.3419%0.192SC..Hα-helixtrans-97.3-7-174.1-60.3-178.6000113.5R471 D477R471-L475 HydrophobicContact CG-CD1 3.95Å; R471-L475 WeakPolarHBondContact O-CB 3.34Å; R471-L475 PolarHBondContact O-N 3.4Å; L475-D477 HydrophobicContact CB-CB 4.36Å; L475-D477 PolarHBondContact O-N 2.87Å
476K94.2Very high96.2Very high74 Ų7442.7 Ų42.732%0.32219%0.194SC..THydrogen-bonded Turntrans52.141.5-171.5-56.9-65.8-170.5139.50111.9A472 V478 E513 F517A472-K476 WeakPolarHBondContact O-CA 3.37Å; A472-K476 PolarHBondContact O-N 3.15Å; K476-V478 PolarHBondContact O-N 3.32Å; K476-E513 IonicContact NZ-OE1 2.75Å; K476-E513 PolarHBondContact NZ-OE1 3.36Å; K476-E513 IonicContact NZ-OE2 3.1Å; K476-E513 PolarHBondContact NZ-OE2 3.37Å; K476-F517 HydrophobicContact CB-CD2 4.49Å; K476-F517 HydrophobicContact CB-CE2 4.49Å; K476-F517 HydrophobicContact CD-CD1 4.12Å; K476-F517 HydrophobicContact CD-CE1 3.74Å; K476-F517 HydrophobicContact CD-CZ 3.99Å
477D93.3Very high96.2Very high32 Ų3236.5 Ų36.517%0.17117%0.167CC..  trans-82104-175.5-172.5-32000110.3A472 L475 L479 V480 M481A472-D477 PolarHBondContact O-N 2.97Å; L475-D477 HydrophobicContact CB-CB 4.36Å; L475-D477 PolarHBondContact O-N 2.87Å; D477-L479 VanDerWaalsContact C-N 3.33Å; D477-L479 PolarHBondContact O-N 3.42Å; D477-L479 PolarHBondContact OD1-N 3.03Å; D477-L479 VanDerWaalsContact OD1-N 3.09Å; D477-V480 HydrophobicContact CB-CB 4.14Å; D477-V480 HydrophobicContact CB-CG2 4.11Å; D477-V480 VanDerWaalsContact CG-CG2 3.44Å; D477-V480 PolarHBondContact O-N 3Å; D477-V480 PolarHBondContact OD1-N 3.26Å; D477-V480 VanDerWaalsContact OD1-N 3.1Å; D477-V480 WeakPolarHBondContact OD2-CG2 3.34Å; D477-M481 WeakPolarHBondContact O-CB 2.72Å; D477-M481 PolarHBondContact O-N 3.09Å
478V95.3Very high96.2Very high36 Ų3633 Ų3322%0.21815%0.148CC..Hα-helixtrans-59-41.5-178.2179.50000111.7K476 M481 K482 E516 F517 E520K476-V478 PolarHBondContact O-N 3.32Å; V478-M481 CarbonylContact O-C 3.51Å; V478-M481 PolarHBondContact O-N 3.2Å; V478-K482 WeakPolarHBondContact O-CB 3.09Å; V478-K482 PolarHBondContact O-N 3Å; V478-E516 HydrophobicContact CG1-CB 4.1Å; V478-E516 HydrophobicContact CG2-CB 4.09Å; V478-F517 HydrophobicContact CG2-CB 4.08Å; V478-F517 HydrophobicContact CG2-CD2 4.23Å; V478-E520 HydrophobicContact CG1-CG 4.14Å
479L95.6Very high96Very high50 Ų5035.6 Ų35.626%0.26216%0.161SC..Hα-helixtrans-72.1-37.5-175.7-64.4179.5000111.8V443 I447 D477 M481 K482 M483V443-L479 HydrophobicContact CB-CB 4.42Å; V443-L479 HydrophobicContact CG1-CB 3.94Å; V443-L479 HydrophobicContact CG1-CD1 3.63Å; V443-L479 HydrophobicContact CG1-CG 4.42Å; V443-L479 HydrophobicContact CG2-CB 3.62Å; I447-L479 HydrophobicContact CD1-CB 4.24Å; I447-L479 HydrophobicContact CD1-CD2 4.28Å; D477-L479 VanDerWaalsContact C-N 3.33Å; D477-L479 PolarHBondContact O-N 3.42Å; D477-L479 PolarHBondContact OD1-N 3.03Å; D477-L479 VanDerWaalsContact OD1-N 3.09Å; L479-M481 VanDerWaalsContact C-N 3.31Å; L479-K482 PolarHBondContact O-N 3.32Å; L479-M483 PolarHBondContact O-N 3.29Å
480V96.6Very high95.7Very high0 Ų036.5 Ų36.50%017%0.165CC..Hα-helixtrans-66.7-37.8171.7-178.50000110.3M431 L438 V443 L468 A472 D477 M483 I484M431-V480 HydrophobicContact CE-CG1 4.26Å; M431-V480 HydrophobicContact CE-CG2 3.91Å; L438-V480 HydrophobicContact CD1-CG2 3.62Å; V443-V480 HydrophobicContact CG2-CG2 4.29Å; L468-V480 HydrophobicContact CD2-CG1 4.22Å; A472-V480 HydrophobicContact CB-CB 4.23Å; A472-V480 HydrophobicContact CB-CG1 3.9Å; D477-V480 HydrophobicContact CB-CB 4.14Å; D477-V480 HydrophobicContact CB-CG2 4.11Å; D477-V480 VanDerWaalsContact CG-CG2 3.44Å; D477-V480 PolarHBondContact O-N 3Å; D477-V480 PolarHBondContact OD1-N 3.26Å; D477-V480 VanDerWaalsContact OD1-N 3.1Å; D477-V480 WeakPolarHBondContact OD2-CG2 3.34Å; V480-M483 WeakPolarHBondContact O-CB 3.47Å; V480-M483 PolarHBondContact O-N 3.32Å; V480-I484 HydrophobicContact CG1-CD1 4.09Å; V480-I484 VanDerWaalsContact O-CG1 3.29Å; V480-I484 WeakPolarHBondContact O-CG1 3.12Å; V480-I484 PolarHBondContact O-N 3.4Å
481M97.9Very high95.3Very high0 Ų029.4 Ų29.40%015%0.149CC..Hα-helixtrans-66-38.5176-161.460-129.200112A472 D477 V478 L479 M483 I484 R485 L505 F517 E520 T524A472-M481 HydrophobicContact CB-SD 4.28Å; D477-M481 WeakPolarHBondContact O-CB 2.72Å; D477-M481 PolarHBondContact O-N 3.09Å; V478-M481 CarbonylContact O-C 3.51Å; V478-M481 PolarHBondContact O-N 3.2Å; L479-M481 VanDerWaalsContact C-N 3.31Å; M481-M483 VanDerWaalsContact C-N 3.35Å; M481-M483 PolarHBondContact O-N 3.38Å; M481-I484 HydrophobicContact CE-CB 3.96Å; M481-I484 HydrophobicContact CE-CG2 3.59Å; M481-I484 CarbonylContact O-C 3.58Å; M481-I484 WeakPolarHBondContact O-CB 3.47Å; M481-I484 PolarHBondContact O-N 2.94Å; M481-I484 VanDerWaalsContact O-N 3.13Å; M481-I484 HydrophobicContact SD-CB 4.43Å; M481-I484 HydrophobicContact SD-CD1 4.17Å; M481-I484 HydrophobicContact SD-CG2 4.44Å; M481-R485 PolarHBondContact O-N 2.72Å; M481-L505 HydrophobicContact CE-CD2 3.41Å; M481-L505 VanDerWaalsContact CE-CD2 3.41Å; M481-L505 HydrophobicContact SD-CD2 4.11Å; M481-F517 HydrophobicContact CB-CD2 4.29Å; M481-F517 HydrophobicContact CB-CE2 3.9Å; M481-F517 HydrophobicContact CG-CE2 4.08Å; M481-F517 HydrophobicContact CG-CZ 4.41Å; M481-E520 HydrophobicContact CB-CB 3.83Å; M481-E520 HydrophobicContact CB-CG 4.47Å; M481-E520 HydrophobicContact CG-CB 3.51Å; M481-T524 HydrophobicContact CE-CG2 3.93Å; M481-T524 WeakPolarHBondContact CE-OG1 3.12Å
482K97.5Very high94.9Very high44 Ų4430.2 Ų30.219%0.19117%0.165CC..Hα-helixtrans-60.2-41.9171.3-169.2168-163162.10112.3I447 V478 L479 R485 N486 E520 E777I447-K482 HydrophobicContact CD1-CB 4.4Å; I447-K482 HydrophobicContact CD1-CD 4.46Å; I447-K482 HydrophobicContact CD1-CG 4.49Å; I447-K482 HydrophobicContact CG2-CG 4.44Å; V478-K482 WeakPolarHBondContact O-CB 3.09Å; V478-K482 PolarHBondContact O-N 3Å; L479-K482 PolarHBondContact O-N 3.32Å; K482-R485 WeakPolarHBondContact O-CB 3.44Å; K482-R485 PolarHBondContact O-N 3.05Å; K482-N486 PolarHBondContact O-N 2.77Å; K482-E520 WeakPolarHBondContact CA-OE2 3.23Å; K482-E520 HydrophobicContact CB-CG 4.16Å; K482-E520 WeakPolarHBondContact CD-OE1 3.46Å; K482-E520 WeakPolarHBondContact CG-OE1 3.45Å; K482-E777 IonicContact NZ-OE2 3.38Å; K482-E777 PolarHBondContact NZ-OE2 3.28Å
483M97.4Very high94.6Very high0 Ų033.9 Ų33.90%020%0.195CC..Hα-helixtrans-60.4-46.2171.8178.7-166.7166.700111.3M431 C446 I447 A450 F459 L468 L479 V480 M481 R485 N486 L487M431-M483 HydrophobicContact CE-SD 3.57Å; M431-M483 VanDerWaalsContact CE-SD 3.57Å; M431-M483 HydrophobicContact SD-CE 4.2Å; M431-M483 HydrophobicContact SD-SD 3.75Å; C446-M483 HydrophobicContact CB-CE 3.93Å; C446-M483 HydrophobicContact CB-CG 4.31Å; C446-M483 HydrophobicContact CB-SD 3.52Å; C446-M483 VanDerWaalsContact CB-SD 3.52Å; I447-M483 HydrophobicContact CG1-CB 3.79Å; A450-M483 HydrophobicContact CB-CG 3.8Å; F459-M483 HydrophobicContact CB-CE 4.43Å; F459-M483 HydrophobicContact CD1-CE 3.24Å; F459-M483 HydrophobicContact CD2-CE 4.1Å; F459-M483 HydrophobicContact CE1-CE 3.26Å; F459-M483 HydrophobicContact CE2-CE 4.11Å; F459-M483 HydrophobicContact CG-CE 3.69Å; F459-M483 HydrophobicContact CZ-CE 3.73Å; L468-M483 HydrophobicContact CD1-CE 3.81Å; L468-M483 HydrophobicContact CD1-SD 4.47Å; L468-M483 HydrophobicContact CD2-SD 4.49Å; L479-M483 PolarHBondContact O-N 3.29Å; V480-M483 WeakPolarHBondContact O-CB 3.47Å; V480-M483 PolarHBondContact O-N 3.32Å; M481-M483 VanDerWaalsContact C-N 3.35Å; M481-M483 PolarHBondContact O-N 3.38Å; M483-R485 VanDerWaalsContact C-N 3.32Å; M483-R485 PolarHBondContact O-N 2.8Å; M483-N486 WeakPolarHBondContact O-CB 3.41Å; M483-N486 PolarHBondContact O-N 2.97Å; M483-N486 VanDerWaalsContact O-N 3.16Å; M483-L487 HydrophobicContact CE-CD1 4.4Å; M483-L487 WeakPolarHBondContact O-CG 3.47Å; M483-L487 PolarHBondContact O-N 2.88Å
484I98.4Very high94.3Very high0 Ų032.8 Ų32.80%019%0.19CC..Hα-helixtrans-62.2-40.7178.7-70.1164.5000111L465 L468 M469 A472 V480 M481 N486 L487 S488 F498 T524L465-I484 HydrophobicContact CD1-CG2 4.27Å; L468-I484 HydrophobicContact CB-CD1 4.01Å; L468-I484 HydrophobicContact CB-CG1 4.1Å; M469-I484 HydrophobicContact SD-CD1 3.92Å; M469-I484 HydrophobicContact SD-CG2 3.6Å; A472-I484 HydrophobicContact CB-CD1 3.67Å; V480-I484 HydrophobicContact CG1-CD1 4.09Å; V480-I484 VanDerWaalsContact O-CG1 3.29Å; V480-I484 WeakPolarHBondContact O-CG1 3.12Å; V480-I484 PolarHBondContact O-N 3.4Å; M481-I484 HydrophobicContact CE-CB 3.96Å; M481-I484 HydrophobicContact CE-CG2 3.59Å; M481-I484 CarbonylContact O-C 3.58Å; M481-I484 WeakPolarHBondContact O-CB 3.47Å; M481-I484 PolarHBondContact O-N 2.94Å; M481-I484 VanDerWaalsContact O-N 3.13Å; M481-I484 HydrophobicContact SD-CB 4.43Å; M481-I484 HydrophobicContact SD-CD1 4.17Å; M481-I484 HydrophobicContact SD-CG2 4.44Å; I484-N486 VanDerWaalsContact C-N 3.32Å; I484-N486 PolarHBondContact O-N 2.69Å; I484-L487 WeakPolarHBondContact O-CA 3.46Å; I484-L487 WeakPolarHBondContact O-CB 3.45Å; I484-L487 PolarHBondContact O-N 3.41Å; I484-S488 PolarHBondContact O-N 3.25Å; I484-F498 HydrophobicContact CG2-CE1 3.59Å; I484-F498 HydrophobicContact CG2-CZ 4.05Å; I484-T524 HydrophobicContact CG2-CG2 4.26Å
485R97.5Very high94.3Very high14 Ų1427.9 Ų27.95%0.05317%0.168CC..Hα-helixtrans-55.8-47.6172.3-178.3-177172.9179.70110.9M481 K482 M483 L487 S488 Q489 E520 T524 N527 E564M481-R485 PolarHBondContact O-N 2.72Å; K482-R485 WeakPolarHBondContact O-CB 3.44Å; K482-R485 PolarHBondContact O-N 3.05Å; M483-R485 VanDerWaalsContact C-N 3.32Å; M483-R485 PolarHBondContact O-N 2.8Å; R485-L487 VanDerWaalsContact C-N 3.26Å; R485-L487 PolarHBondContact O-N 3.29Å; R485-S488 WeakPolarHBondContact O-CB 3.26Å; R485-S488 PolarHBondContact O-N 2.96Å; R485-S488 PolarHBondContact O-OG 3.1Å; R485-Q489 PolarHBondContact O-N 3.31Å; R485-E520 WeakPolarHBondContact CD-OE2 3.32Å; R485-E520 IonicContact NH1-OE2 3.35Å; R485-T524 VanDerWaalsContact CA-OG1 3.31Å; R485-T524 WeakPolarHBondContact CA-OG1 3.4Å; R485-T524 WeakPolarHBondContact CB-OG1 3.44Å; R485-N527 PolarHBondContact O-ND2 3.08Å; R485-E564 IonicContact CZ-OE1 2.96Å; R485-E564 IonicContact CZ-OE2 2.99Å; R485-E564 IonicContact NH1-OE1 3.76Å; R485-E564 PolarHBondContact NH1-OE1 3.19Å; R485-E564 VanDerWaalsContact NH1-OE1 3.1Å; R485-E564 IonicContact NH2-OE1 2.63Å; R485-E564 PolarHBondContact NH2-OE1 3.41Å; R485-E564 IonicContact NH2-OE2 2.89Å; R485-E564 PolarHBondContact NH2-OE2 3.41Å
486N97.1Very high94.2Very high13 Ų1328.8 Ų28.87%0.0717%0.173CC..Hα-helixtrans-61.1-32.2175.3-75.5-2.5000113.1I447 A450 K482 M483 I484 Q489 H490I447-N486 WeakPolarHBondContact CG2-ND2 3.45Å; I447-N486 PolarHBondContact O-ND2 3.21Å; A450-N486 HydrophobicContact CB-CB 3.81Å; K482-N486 PolarHBondContact O-N 2.77Å; M483-N486 WeakPolarHBondContact O-CB 3.41Å; M483-N486 PolarHBondContact O-N 2.97Å; M483-N486 VanDerWaalsContact O-N 3.16Å; I484-N486 VanDerWaalsContact C-N 3.32Å; I484-N486 PolarHBondContact O-N 2.69Å; N486-Q489 VanDerWaalsContact O-CG 3.26Å; N486-Q489 WeakPolarHBondContact O-CG 3.31Å; N486-H490 PolarHBondContact O-CD2 3.42Å; N486-H490 PolarHBondContact O-NE2 2.9Å
487L97.5Very high94.3Very high0 Ų029 Ų290%018%0.178CC..Hα-helixtrans-67.3-37.7173.7-62.1174.4000111.7A450 A456 F459 L465 L468 M483 I484 R485 Q489 F498A450-L487 HydrophobicContact CB-CD2 3.61Å; A450-L487 HydrophobicContact CB-CG 3.98Å; A456-L487 HydrophobicContact CB-CD2 3.58Å; F459-L487 HydrophobicContact CB-CD1 4.27Å; F459-L487 HydrophobicContact CB-CD2 3.77Å; F459-L487 HydrophobicContact CD2-CD2 4Å; F459-L487 HydrophobicContact CG-CD2 4.19Å; L465-L487 HydrophobicContact CD1-CD1 4.47Å; L468-L487 HydrophobicContact CD1-CD1 4.04Å; M483-L487 HydrophobicContact CE-CD1 4.4Å; M483-L487 WeakPolarHBondContact O-CG 3.47Å; M483-L487 PolarHBondContact O-N 2.88Å; I484-L487 WeakPolarHBondContact O-CA 3.46Å; I484-L487 WeakPolarHBondContact O-CB 3.45Å; I484-L487 PolarHBondContact O-N 3.41Å; R485-L487 VanDerWaalsContact C-N 3.26Å; R485-L487 PolarHBondContact O-N 3.29Å; L487-Q489 VanDerWaalsContact C-N 3.31Å; L487-Q489 PolarHBondContact O-N 3.2Å; L487-F498 HydrophobicContact CB-CE2 4.45Å; L487-F498 HydrophobicContact CB-CZ 4.09Å
488S96.1Very high94.4Very high0 Ų027.4 Ų27.40%017%0.169CC..Hα-helixtrans-69.2-22.8-176.172.60000114.5I484 R485 H490 K495 N527I484-S488 PolarHBondContact O-N 3.25Å; R485-S488 WeakPolarHBondContact O-CB 3.26Å; R485-S488 PolarHBondContact O-N 2.96Å; R485-S488 PolarHBondContact O-OG 3.1Å; S488-H490 PolarHBondContact O-N 3.08Å; S488-K495 VanDerWaalsContact O-CE 3.28Å; S488-K495 WeakPolarHBondContact O-CE 3.26Å; S488-N527 VanDerWaalsContact OG-CB 3.26Å; S488-N527 WeakPolarHBondContact OG-CB 3.38Å; S488-N527 PolarHBondContact OG-ND2 3.37Å
489Q93.1Very high94.4Very high55 Ų5529.2 Ų29.226%0.25718%0.177SC..THydrogen-bonded Turntrans-67.9-25.5-178.181.5-167.3-11.300112.8A451 R485 N486 L487A451-Q489 PolarHBondContact O-NE2 3.38Å; R485-Q489 PolarHBondContact O-N 3.31Å; N486-Q489 VanDerWaalsContact O-CG 3.26Å; N486-Q489 WeakPolarHBondContact O-CG 3.31Å; L487-Q489 VanDerWaalsContact C-N 3.31Å; L487-Q489 PolarHBondContact O-N 3.2Å
490H92.9Very high94.3Very high21 Ų2133.8 Ų33.810%0.09720%0.202CC..SBendtrans-80.8122.4-173.4-59.8-66.9000112.1A450 A451 N452 R453 A456 N486 S488 K495A450-H490 PolarHBondContact O-CD2 3.05Å; A450-H490 PolarHBondContact O-NE2 3.3Å; A451-H490 PolarHBondContact O-CE1 3.04Å; N452-H490 VanDerWaalsContact C-CE1 3.44Å; R453-H490 WeakPolarHBondContact CA-ND1 3.35Å; R453-H490 HydrophobicContact CG-CB 4.33Å; R453-H490 PolarHBondContact N-CE1 3.43Å; R453-H490 VanDerWaalsContact N-CE1 3.29Å; A456-H490 WeakPolarHBondContact CB-CD2 3.39Å; N486-H490 PolarHBondContact O-CD2 3.42Å; N486-H490 PolarHBondContact O-NE2 2.9Å; S488-H490 PolarHBondContact O-N 3.08Å; H490-K495 WeakPolarHBondContact O-CB 3.28Å
491G87.4Confident94.3Very high34 Ų3434.5 Ų34.535%0.35121%0.205SC..  trans-67.9164.7176.100000115
492G87Confident94.3Very high41 Ų4134.7 Ų34.742%0.42321%0.207SC..SBendtrans98.1-153.217900000113T494 K495G492-T494 VanDerWaalsContact C-N 3.25Å; G492-T494 PolarHBondContact O-N 3.03Å; G492-K495 PolarHBondContact O-N 3.22Å
493A88.6Confident94.2Very high78 Ų7833.6 Ų33.665%0.64521%0.207SC*.Hα-helixtrans-57.6-35.8-174.600000113.4K495 N496 L497A493-K495 PolarHBondContact O-N 3.2Å; A493-N496 PolarHBondContact O-N 3.4Å; A493-L497 PolarHBondContact O-N 3.47Å
494T90.4Very high94.2Very high7 Ų737.2 Ų37.24%0.04323%0.227CC..Hα-helixtrans-59-43.6178.5-52.60000112.4C460 G492 N496 L497C460-T494 HydrophobicContact CB-CG2 4.12Å; C460-T494 VanDerWaalsContact SG-CG2 3.59Å; G492-T494 VanDerWaalsContact C-N 3.25Å; G492-T494 PolarHBondContact O-N 3.03Å; T494-N496 VanDerWaalsContact C-N 3.32Å; T494-N496 PolarHBondContact O-N 2.62Å; T494-L497 WeakPolarHBondContact O-CB 3.45Å; T494-L497 PolarHBondContact O-N 2.81Å
495K92.6Very high94.2Very high21 Ų2137.2 Ų37.29%0.09123%0.227CC..Hα-helixtrans-63.1-39.4179.1-165.9172.1-70.6-156.50111.8S488 H490 G492 A493 L497 F498 N527 L528 T529 I530S488-K495 VanDerWaalsContact O-CE 3.28Å; S488-K495 WeakPolarHBondContact O-CE 3.26Å; H490-K495 WeakPolarHBondContact O-CB 3.28Å; G492-K495 PolarHBondContact O-N 3.22Å; A493-K495 PolarHBondContact O-N 3.2Å; K495-L497 PolarHBondContact O-N 3.03Å; K495-F498 WeakPolarHBondContact O-CB 3.41Å; K495-F498 PolarHBondContact O-N 3.36Å; K495-F498 VanDerWaalsContact O-N 3.1Å; K495-N527 WeakPolarHBondContact CE-O 3.14Å; K495-N527 PolarHBondContact NZ-O 2.97Å; K495-L528 HydrophobicContact CG-CD2 4.17Å; K495-T529 PolarHBondContact NZ-OG1 3.34Å; K495-I530 HydrophobicContact CD-CG1 4.08Å; K495-I530 HydrophobicContact CG-CD1 4.13Å; K495-I530 HydrophobicContact CG-CG1 3.82Å; K495-I530 WeakPolarHBondContact O-CD1 3.39Å
496N93Very high94.2Very high84 Ų8436.6 Ų36.645%0.44923%0.225SC..Hα-helixtrans-64.8-22-179.6-66.2-13.9000113.4A493 T494 F498 L499A493-N496 PolarHBondContact O-N 3.4Å; T494-N496 VanDerWaalsContact C-N 3.32Å; T494-N496 PolarHBondContact O-N 2.62Å; N496-F498 PolarHBondContact O-N 3.04Å; N496-L499 WeakPolarHBondContact O-CB 3.34Å; N496-L499 WeakPolarHBondContact O-CG 3.41Å; N496-L499 PolarHBondContact O-N 3.4Å
497L94.6Very high94.3Very high78 Ų7838.6 Ų38.641%0.40824%0.243SC..G310 helixtrans-65.8-19.9175.9-59.7173.3000112.7C460 L465 A493 T494 K495 L499C460-L497 HydrophobicContact CB-CD1 3.65Å; L465-L497 HydrophobicContact CD2-CB 3.56Å; A493-L497 PolarHBondContact O-N 3.47Å; T494-L497 WeakPolarHBondContact O-CB 3.45Å; T494-L497 PolarHBondContact O-N 2.81Å; K495-L497 PolarHBondContact O-N 3.03Å; L497-L499 VanDerWaalsContact C-N 3.29Å; L497-L499 PolarHBondContact O-N 3.17Å
498F96.4Very high94.2Very high0 Ų040 Ų400%025%0.249CC..G310 helixtrans-76.5-13.2178.4-75.4-96.2000113.7L465 I484 L487 K495 N496 D500 H501 V502 T524 L528L465-F498 HydrophobicContact CD1-CE1 3.84Å; L465-F498 HydrophobicContact CD1-CE2 4.11Å; L465-F498 HydrophobicContact CD1-CZ 3.57Å; L465-F498 HydrophobicContact CD2-CD1 4.27Å; L465-F498 HydrophobicContact CD2-CD2 3.75Å; L465-F498 HydrophobicContact CD2-CE1 4.25Å; L465-F498 HydrophobicContact CD2-CE2 3.72Å; L465-F498 HydrophobicContact CD2-CG 4.04Å; L465-F498 HydrophobicContact CD2-CZ 3.97Å; L465-F498 HydrophobicContact CG-CZ 4.44Å; I484-F498 HydrophobicContact CG2-CE1 3.59Å; I484-F498 HydrophobicContact CG2-CZ 4.05Å; L487-F498 HydrophobicContact CB-CE2 4.45Å; L487-F498 HydrophobicContact CB-CZ 4.09Å; K495-F498 WeakPolarHBondContact O-CB 3.41Å; K495-F498 PolarHBondContact O-N 3.36Å; K495-F498 VanDerWaalsContact O-N 3.1Å; N496-F498 PolarHBondContact O-N 3.04Å; F498-D500 PolarHBondContact O-N 3.02Å; F498-H501 CarbonylContact O-C 3.59Å; F498-H501 WeakPolarHBondContact O-CA 3.48Å; F498-H501 PolarHBondContact O-N 3.36Å; F498-V502 PolarHBondContact O-N 3.46Å; F498-V502 VanDerWaalsContact O-N 3.17Å; F498-T524 HydrophobicContact CD1-CG2 3.9Å; F498-T524 HydrophobicContact CE1-CG2 3.65Å; F498-L528 HydrophobicContact CB-CD1 3.94Å; F498-L528 HydrophobicContact CB-CD2 3.57Å; F498-L528 HydrophobicContact CB-CG 4.43Å; F498-L528 HydrophobicContact CD1-CD2 4.28Å; F498-L528 HydrophobicContact CD2-CD2 4.31Å; F498-L528 HydrophobicContact CG-CD2 3.81Å
499L94.2Very high94.3Very high74 Ų7440.7 Ų40.739%0.38725%0.253SS..G310 helixtrans-54.6-41.9179.7-74.8173.3000112.3N496 L497 H501 I530 L533N496-L499 WeakPolarHBondContact O-CB 3.34Å; N496-L499 WeakPolarHBondContact O-CG 3.41Å; N496-L499 PolarHBondContact O-N 3.4Å; L497-L499 VanDerWaalsContact C-N 3.29Å; L497-L499 PolarHBondContact O-N 3.17Å; L499-H501 PolarHBondContact O-N 3Å; L499-H501 VanDerWaalsContact O-N 3.13Å; L499-I530 HydrophobicContact CD1-CG2 4.3Å; L499-I530 HydrophobicContact CD2-CB 4.4Å; L499-I530 HydrophobicContact CD2-CD1 3.76Å; L499-I530 HydrophobicContact CD2-CG2 3.97Å; L499-I530 HydrophobicContact CG-CD1 3.88Å; L499-I530 HydrophobicContact CG-CG2 4.35Å; L499-L533 HydrophobicContact CD2-CB 4.42Å; L499-L533 HydrophobicContact CD2-CD1 4.04Å
500D93.6Very high94.3Very high145 Ų14539 Ų3978%0.77525%0.251SS*.G310 helixtrans-68-10.4178.8-70.6-13.2000113.3F498F498-D500 PolarHBondContact O-N 3.02Å
501H97.1Very high94.1Very high15 Ų1543.2 Ų43.27%0.06927%0.271CS..G310 helixtrans-118-4.4-171.9-65.2-55.9000114M469 F498 L499 G503 D504 L505M469-H501 HydrophobicContact CE-CB 4.15Å; M469-H501 HydrophobicContact CG-CB 4.38Å; F498-H501 CarbonylContact O-C 3.59Å; F498-H501 WeakPolarHBondContact O-CA 3.48Å; F498-H501 PolarHBondContact O-N 3.36Å; L499-H501 PolarHBondContact O-N 3Å; L499-H501 VanDerWaalsContact O-N 3.13Å; H501-G503 VanDerWaalsContact C-N 3.3Å; H501-G503 PolarHBondContact O-N 2.59Å; H501-D504 IonicContact ND1-OD2 2.72Å; H501-D504 PolarHBondContact ND1-OD2 3.22Å; H501-D504 PolarHBondContact O-N 3.06Å; H501-L505 WeakPolarHBondContact O-CG 3.45Å; H501-L505 PolarHBondContact O-N 3.32Å
502V97.1Very high94.2Very high5 Ų549.6 Ų49.63%0.0330%0.296CS..Hα-helixtrans-55.8-46.1-179.9174.40000111.2F498 L505 A506 L525 L528 L533 V538F498-V502 PolarHBondContact O-N 3.46Å; F498-V502 VanDerWaalsContact O-N 3.17Å; V502-L505 PolarHBondContact O-N 3.26Å; V502-A506 VanDerWaalsContact O-CB 3.31Å; V502-A506 WeakPolarHBondContact O-CB 3.31Å; V502-A506 PolarHBondContact O-N 3.23Å; V502-L525 HydrophobicContact CB-CD2 4.47Å; V502-L525 HydrophobicContact CG1-CD2 4Å; V502-L528 HydrophobicContact CG2-CD1 3.76Å; V502-L533 HydrophobicContact CG1-CD1 4.41Å; V502-L533 HydrophobicContact CG2-CD1 4.16Å; V502-L533 HydrophobicContact CG2-CD2 4.13Å; V502-V538 HydrophobicContact CG1-CG1 4.02Å; V502-V538 HydrophobicContact CG1-CG2 3.7Å
503G97.2Very high94.5Very high20 Ų2050.5 Ų50.521%0.20629%0.29CS..Hα-helixtrans-66-39.8178.900000113.3H501 L505 A506 A507 Y542H501-G503 VanDerWaalsContact C-N 3.3Å; H501-G503 PolarHBondContact O-N 2.59Å; G503-L505 VanDerWaalsContact C-N 3.33Å; G503-L505 PolarHBondContact O-N 2.94Å; G503-A506 PolarHBondContact O-N 3.41Å; G503-A507 WeakPolarHBondContact O-CB 3.37Å; G503-A507 PolarHBondContact O-N 3.12Å; G503-Y542 VanDerWaalsContact C-OH 3.29Å; G503-Y542 VanDerWaalsContact CA-CZ 3.5Å; G503-Y542 WeakPolarHBondContact CA-OH 3.42Å; G503-Y542 WeakPolarHBondContact O-CE1 3.26Å; G503-Y542 PolarHBondContact O-OH 3.02Å; G503-Y542 VanDerWaalsContact O-OH 3.12Å
504D97.6Very high94.8Very high77 Ų7749.8 Ų49.841%0.41228%0.284SS..Hα-helixtrans-62-42.5177.3-67.8-34.2000111.4L473 H501 Q508L473-D504 HydrophobicContact CD1-CB 3.69Å; H501-D504 IonicContact ND1-OD2 2.72Å; H501-D504 PolarHBondContact ND1-OD2 3.22Å; H501-D504 PolarHBondContact O-N 3.06Å; D504-Q508 WeakPolarHBondContact O-CG 3.48Å; D504-Q508 PolarHBondContact O-NE2 2.85Å
505L98.2Very high95Very high0 Ų052.4 Ų52.40%030%0.295CS..Hα-helixtrans-67.6-46.9176.9-71.8166.3000112M469 M481 H501 V502 G503 A507 Q508 C521 T524 L525M469-L505 HydrophobicContact CE-CD1 4.49Å; M469-L505 HydrophobicContact CE-CD2 3.72Å; M469-L505 HydrophobicContact CE-CG 3.86Å; M469-L505 HydrophobicContact SD-CD2 4.45Å; M481-L505 HydrophobicContact CE-CD2 3.41Å; M481-L505 VanDerWaalsContact CE-CD2 3.41Å; M481-L505 HydrophobicContact SD-CD2 4.11Å; H501-L505 WeakPolarHBondContact O-CG 3.45Å; H501-L505 PolarHBondContact O-N 3.32Å; V502-L505 PolarHBondContact O-N 3.26Å; G503-L505 VanDerWaalsContact C-N 3.33Å; G503-L505 PolarHBondContact O-N 2.94Å; L505-A507 PolarHBondContact O-N 3.46Å; L505-Q508 WeakPolarHBondContact O-CB 3.48Å; L505-Q508 PolarHBondContact O-N 2.9Å; L505-C521 HydrophobicContact CD2-CB 4.39Å; L505-T524 HydrophobicContact CD1-CG2 3.64Å; L505-T524 HydrophobicContact CD2-CG2 4.28Å; L505-L525 HydrophobicContact CB-CD1 4.29Å; L505-L525 HydrophobicContact CB-CD2 3.82Å; L505-L525 HydrophobicContact CB-CG 3.96Å; L505-L525 HydrophobicContact CD1-CD2 3.91Å; L505-L525 HydrophobicContact CD1-CG 4.38Å
506A97.7Very high95.1Very high1 Ų157.7 Ų57.71%0.00832%0.32CS..Hα-helixtrans-60.3-35.6178.800000112V502 G503 Q508 I509 L525 V538 Y542 L544V502-A506 VanDerWaalsContact O-CB 3.31Å; V502-A506 WeakPolarHBondContact O-CB 3.31Å; V502-A506 PolarHBondContact O-N 3.23Å; G503-A506 PolarHBondContact O-N 3.41Å; A506-Q508 PolarHBondContact O-N 2.68Å; A506-I509 PolarHBondContact O-N 3.16Å; A506-L525 HydrophobicContact CB-CD1 4.32Å; A506-V538 HydrophobicContact CB-CG1 3.96Å; A506-Y542 HydrophobicContact CB-CD1 4.06Å; A506-Y542 HydrophobicContact CB-CD2 3.56Å; A506-Y542 HydrophobicContact CB-CE1 4.42Å; A506-Y542 HydrophobicContact CB-CE2 3.96Å; A506-Y542 HydrophobicContact CB-CG 3.61Å; A506-L544 HydrophobicContact CB-CD1 4.21Å
507A97.2Very high95.3Very high55 Ų5553.8 Ų53.846%0.45530%0.299SS..THydrogen-bonded Turntrans-63-19.4175.300000114.1G503 L505 Y542G503-A507 WeakPolarHBondContact O-CB 3.37Å; G503-A507 PolarHBondContact O-N 3.12Å; L505-A507 PolarHBondContact O-N 3.46Å; A507-Y542 HydrophobicContact CB-CD1 4.07Å; A507-Y542 HydrophobicContact CB-CE1 3.71Å
508Q97.3Very high95.4Very high28 Ų2850.1 Ų50.113%0.13128%0.28CS..THydrogen-bonded Turntrans-89.5-2.3179.5-47.3-49.9-61.700113.1L473 D504 L505 A506 G510 F517 C521L473-Q508 HydrophobicContact CD2-CG 3.51Å; D504-Q508 WeakPolarHBondContact O-CG 3.48Å; D504-Q508 PolarHBondContact O-NE2 2.85Å; L505-Q508 WeakPolarHBondContact O-CB 3.48Å; L505-Q508 PolarHBondContact O-N 2.9Å; A506-Q508 PolarHBondContact O-N 2.68Å; Q508-G510 PolarHBondContact O-N 3.34Å; Q508-F517 HydrophobicContact CB-CD1 4.49Å; Q508-F517 HydrophobicContact CB-CE1 4.04Å; Q508-F517 HydrophobicContact CG-CE1 4.01Å; Q508-C521 HydrophobicContact CB-CB 4.44Å
509I96.7Very high95.5Very high15 Ų1551 Ų518%0.07729%0.285CS..  trans-91.1103.8-178.7-60.1168.9000108.6A506 V518 L522 L525 L544 Y547A506-I509 PolarHBondContact O-N 3.16Å; I509-V518 HydrophobicContact CG2-CG1 4.36Å; I509-L522 HydrophobicContact CD1-CD2 3.51Å; I509-L522 HydrophobicContact CD1-CG 4.13Å; I509-L522 HydrophobicContact CG1-CD2 4.07Å; I509-L522 HydrophobicContact CG1-CG 4.25Å; I509-L522 HydrophobicContact CG2-CD2 4.13Å; I509-L525 HydrophobicContact CD1-CD1 3.57Å; I509-L544 HydrophobicContact CB-CD2 3.87Å; I509-L544 HydrophobicContact CD1-CD1 4.37Å; I509-L544 HydrophobicContact CD1-CD2 4.35Å; I509-L544 HydrophobicContact CG2-CD2 4Å; I509-Y547 HydrophobicContact CG2-CD1 3.5Å; I509-Y547 VanDerWaalsContact CG2-CD1 3.5Å; I509-Y547 HydrophobicContact CG2-CE1 3.43Å; I509-Y547 VanDerWaalsContact CG2-CE1 3.43Å; I509-Y547 HydrophobicContact CG2-CG 4.13Å
510G92.8Very high95.7Very high20 Ų2048 Ų4821%0.20627%0.269CS..SBendtrans-164.5170.318000000112.7Q508 D512Q508-G510 PolarHBondContact O-N 3.34Å; G510-D512 VanDerWaalsContact C-N 3.32Å
511E88.8Confident95.9Very high110 Ų11041.1 Ų41.151%0.51423%0.232SC..THydrogen-bonded Turntrans-77.6-18.9177.9-69.5172.9-15900112.8E513 Y547 R550E511-E513 VanDerWaalsContact C-N 3.29Å; E511-Y547 HydrophobicContact CG-CD2 4.3Å; E511-Y547 HydrophobicContact CG-CE2 4.09Å; E511-R550 IonicContact OE1-CZ 3.12Å; E511-R550 IonicContact OE1-NE 3.65Å; E511-R550 PolarHBondContact OE1-NE 2.96Å; E511-R550 IonicContact OE1-NH2 3.91Å; E511-R550 PolarHBondContact OE1-NH2 2.99Å
512D90.4Very high95.9Very high167 Ų16740.4 Ų40.489%0.89323%0.229SC*.THydrogen-bonded Turntrans-83.4-6.5-179.8-61.8-44.5000113.1G510G510-D512 VanDerWaalsContact C-N 3.32Å
513E92.8Very high95.9Very high60 Ų6040.2 Ų40.228%0.2823%0.228SC..SBendtrans-100.2152.6-176.7-66.1-71.3175.200110.9K476 E511 E515 V518K476-E513 IonicContact NZ-OE1 2.75Å; K476-E513 PolarHBondContact NZ-OE1 3.36Å; K476-E513 IonicContact NZ-OE2 3.1Å; K476-E513 PolarHBondContact NZ-OE2 3.37Å; E511-E513 VanDerWaalsContact C-N 3.29Å; E513-E515 PolarHBondContact O-N 3.21Å; E513-V518 HydrophobicContact CB-CG2 3.54Å
514A94.4Very high95.9Very high63 Ų6339.2 Ų39.252%0.52122%0.218SC..  trans-64.8128.6178.400000110.7E516 F517 V518A514-E516 VanDerWaalsContact C-N 3.28Å; A514-E516 PolarHBondContact O-N 2.82Å; A514-F517 HydrophobicContact CB-CB 4.47Å; A514-F517 PolarHBondContact O-N 3.07Å; A514-V518 WeakPolarHBondContact O-CG2 3.31Å; A514-V518 PolarHBondContact O-N 3.38Å
515E94.8Very high95.9Very high62 Ų6235.6 Ų35.629%0.2920%0.198SC..Hα-helixtrans-56.4-41.1-173.6-63.1-161.4155.700112.1E513 F517 V518 I519 R551 L561E513-E515 PolarHBondContact O-N 3.21Å; E515-F517 VanDerWaalsContact C-N 3.3Å; E515-F517 PolarHBondContact O-N 3.34Å; E515-V518 PolarHBondContact O-N 3.18Å; E515-V518 VanDerWaalsContact O-N 3.13Å; E515-I519 VanDerWaalsContact O-CG1 3.25Å; E515-I519 WeakPolarHBondContact O-CG1 3.38Å; E515-I519 PolarHBondContact O-N 3.43Å; E515-R551 IonicContact OE1-CZ 2.61Å; E515-R551 IonicContact OE1-NH1 2.93Å; E515-R551 PolarHBondContact OE1-NH1 2.77Å; E515-R551 IonicContact OE1-NH2 2.62Å; E515-R551 PolarHBondContact OE1-NH2 3.12Å; E515-L561 HydrophobicContact CB-CD2 3.97Å; E515-L561 HydrophobicContact CG-CD2 3.83Å
516E95.4Very high95.7Very high132 Ų13235.6 Ų35.662%0.61720%0.198SC*.Hα-helixtrans-55.4-40.7174.5-63177.8-176.600113.2V478 A514 E520V478-E516 HydrophobicContact CG1-CB 4.1Å; V478-E516 HydrophobicContact CG2-CB 4.09Å; A514-E516 VanDerWaalsContact C-N 3.28Å; A514-E516 PolarHBondContact O-N 2.82Å; E516-E520 PolarHBondContact O-N 3.25Å
517F96.9Very high95.6Very high2 Ų236.8 Ų36.81%0.00920%0.204CC..Hα-helixtrans-75.1-36.9178.4-170.2-100000111.7L473 K476 V478 M481 Q508 A514 E515 E520 C521L473-F517 HydrophobicContact CD2-CZ 4.31Å; K476-F517 HydrophobicContact CB-CD2 4.49Å; K476-F517 HydrophobicContact CB-CE2 4.49Å; K476-F517 HydrophobicContact CD-CD1 4.12Å; K476-F517 HydrophobicContact CD-CE1 3.74Å; K476-F517 HydrophobicContact CD-CZ 3.99Å; V478-F517 HydrophobicContact CG2-CB 4.08Å; V478-F517 HydrophobicContact CG2-CD2 4.23Å; M481-F517 HydrophobicContact CB-CD2 4.29Å; M481-F517 HydrophobicContact CB-CE2 3.9Å; M481-F517 HydrophobicContact CG-CE2 4.08Å; M481-F517 HydrophobicContact CG-CZ 4.41Å; Q508-F517 HydrophobicContact CB-CD1 4.49Å; Q508-F517 HydrophobicContact CB-CE1 4.04Å; Q508-F517 HydrophobicContact CG-CE1 4.01Å; A514-F517 HydrophobicContact CB-CB 4.47Å; A514-F517 PolarHBondContact O-N 3.07Å; E515-F517 VanDerWaalsContact C-N 3.3Å; E515-F517 PolarHBondContact O-N 3.34Å; F517-E520 PolarHBondContact O-N 3.09Å; F517-C521 VanDerWaalsContact CE1-SG 3.55Å; F517-C521 PolarHBondContact O-N 3.44Å; F517-C521 VanDerWaalsContact O-N 3.09Å; F517-C521 PolarHBondContact O-SG 2.83Å
518V97.8Very high95.4Very high1 Ų134.1 Ų34.11%0.00618%0.183CC..Hα-helixtrans-64.7-40.1176.1178.20000110.9I509 E513 A514 E515 E520 C521 L522 L561I509-V518 HydrophobicContact CG2-CG1 4.36Å; E513-V518 HydrophobicContact CB-CG2 3.54Å; A514-V518 WeakPolarHBondContact O-CG2 3.31Å; A514-V518 PolarHBondContact O-N 3.38Å; E515-V518 PolarHBondContact O-N 3.18Å; E515-V518 VanDerWaalsContact O-N 3.13Å; V518-E520 VanDerWaalsContact C-N 3.33Å; V518-E520 PolarHBondContact O-N 3.43Å; V518-C521 PolarHBondContact O-N 3.36Å; V518-L522 HydrophobicContact CG1-CD1 3.78Å; V518-L522 HydrophobicContact CG1-CG 4.11Å; V518-L522 WeakPolarHBondContact O-CB 3.48Å; V518-L522 WeakPolarHBondContact O-CG 3.41Å; V518-L522 PolarHBondContact O-N 3.13Å; V518-L561 HydrophobicContact CB-CD1 4.46Å; V518-L561 HydrophobicContact CG1-CD1 3.94Å
519I97.1Very high94.9Very high19 Ų1935.9 Ų35.910%0.09720%0.195CC..Hα-helixtrans-53-51.5173.8-74.3167000110E515 C521 L522 G523 D560 L561 E564E515-I519 VanDerWaalsContact O-CG1 3.25Å; E515-I519 WeakPolarHBondContact O-CG1 3.38Å; E515-I519 PolarHBondContact O-N 3.43Å; I519-C521 PolarHBondContact O-N 3.46Å; I519-L522 PolarHBondContact O-N 3.03Å; I519-G523 PolarHBondContact O-N 2.77Å; I519-D560 HydrophobicContact CD1-CB 3.95Å; I519-L561 HydrophobicContact CD1-CB 4.05Å; I519-L561 HydrophobicContact CG1-CB 3.8Å; I519-L561 HydrophobicContact CG1-CD1 3.88Å; I519-L561 HydrophobicContact CG1-CG 4.41Å; I519-E564 HydrophobicContact CG2-CG 3.93Å
520E97.9Very high94.4Very high12 Ų1235.8 Ų35.86%0.05620%0.195CC..Hα-helixtrans-69.1-33.2-177.6-58.3-60.6174.700112.7V478 M481 K482 R485 E516 F517 V518 T524V478-E520 HydrophobicContact CG1-CG 4.14Å; M481-E520 HydrophobicContact CB-CB 3.83Å; M481-E520 HydrophobicContact CB-CG 4.47Å; M481-E520 HydrophobicContact CG-CB 3.51Å; K482-E520 WeakPolarHBondContact CA-OE2 3.23Å; K482-E520 HydrophobicContact CB-CG 4.16Å; K482-E520 WeakPolarHBondContact CD-OE1 3.46Å; K482-E520 WeakPolarHBondContact CG-OE1 3.45Å; R485-E520 WeakPolarHBondContact CD-OE2 3.32Å; R485-E520 IonicContact NH1-OE2 3.35Å; E516-E520 PolarHBondContact O-N 3.25Å; F517-E520 PolarHBondContact O-N 3.09Å; V518-E520 VanDerWaalsContact C-N 3.33Å; V518-E520 PolarHBondContact O-N 3.43Å; E520-T524 WeakPolarHBondContact O-CB 3.02Å; E520-T524 PolarHBondContact O-N 2.94Å; E520-T524 PolarHBondContact O-OG1 2.93Å
521C98.3Very high93.8Very high0 Ų039.7 Ų39.70%022%0.217CC..Hα-helixtrans-67.8-46.1173.5-66.90000112.2L505 Q508 F517 V518 I519 T524 L525L505-C521 HydrophobicContact CD2-CB 4.39Å; Q508-C521 HydrophobicContact CB-CB 4.44Å; F517-C521 VanDerWaalsContact CE1-SG 3.55Å; F517-C521 PolarHBondContact O-N 3.44Å; F517-C521 VanDerWaalsContact O-N 3.09Å; F517-C521 PolarHBondContact O-SG 2.83Å; V518-C521 PolarHBondContact O-N 3.36Å; I519-C521 PolarHBondContact O-N 3.46Å; C521-T524 PolarHBondContact O-N 3.38Å; C521-L525 PolarHBondContact O-N 2.93Å
522L97.6Very high93.4Very high0 Ų042.6 Ų42.60%024%0.236CC..Hα-helixtrans-60.1-49.7175.5-78.2169.8000110.8I509 V518 I519 T524 L525 A526 L561 E564 V565 L568I509-L522 HydrophobicContact CD1-CD2 3.51Å; I509-L522 HydrophobicContact CD1-CG 4.13Å; I509-L522 HydrophobicContact CG1-CD2 4.07Å; I509-L522 HydrophobicContact CG1-CG 4.25Å; I509-L522 HydrophobicContact CG2-CD2 4.13Å; V518-L522 HydrophobicContact CG1-CD1 3.78Å; V518-L522 HydrophobicContact CG1-CG 4.11Å; V518-L522 WeakPolarHBondContact O-CB 3.48Å; V518-L522 WeakPolarHBondContact O-CG 3.41Å; V518-L522 PolarHBondContact O-N 3.13Å; I519-L522 PolarHBondContact O-N 3.03Å; L522-T524 VanDerWaalsContact C-N 3.28Å; L522-T524 PolarHBondContact O-N 3.22Å; L522-L525 PolarHBondContact O-N 3.43Å; L522-L525 VanDerWaalsContact O-N 3.17Å; L522-A526 VanDerWaalsContact O-CB 3.28Å; L522-A526 WeakPolarHBondContact O-CB 3.08Å; L522-A526 PolarHBondContact O-N 3.31Å; L522-L561 HydrophobicContact CD1-CD1 3.43Å; L522-L561 VanDerWaalsContact CD1-CD1 3.43Å; L522-E564 HydrophobicContact CB-CB 3.89Å; L522-E564 HydrophobicContact CD1-CB 4.26Å; L522-V565 HydrophobicContact CD1-CG2 3.79Å; L522-L568 HydrophobicContact CD2-CD2 3.44Å; L522-L568 VanDerWaalsContact CD2-CD2 3.44Å
523G96.1Very high93.4Very high0 Ų035.7 Ų35.70%020%0.199CC..Hα-helixtrans-62.6-35.5178.700000112.7I519 A526 N527 E564I519-G523 PolarHBondContact O-N 2.77Å; G523-A526 PolarHBondContact O-N 2.88Å; G523-N527 PolarHBondContact O-N 3.08Å; G523-N527 VanDerWaalsContact O-N 3.15Å; G523-N527 PolarHBondContact O-ND2 3.3Å; G523-E564 WeakPolarHBondContact CA-OE2 3.04Å
524T97.9Very high93.4Very high0 Ų036.9 Ų36.90%021%0.207CC..Hα-helixtrans-64-47.3173.3-59.50000111.2M481 I484 R485 F498 L505 E520 C521 L522 N527 L528M481-T524 HydrophobicContact CE-CG2 3.93Å; M481-T524 WeakPolarHBondContact CE-OG1 3.12Å; I484-T524 HydrophobicContact CG2-CG2 4.26Å; R485-T524 VanDerWaalsContact CA-OG1 3.31Å; R485-T524 WeakPolarHBondContact CA-OG1 3.4Å; R485-T524 WeakPolarHBondContact CB-OG1 3.44Å; F498-T524 HydrophobicContact CD1-CG2 3.9Å; F498-T524 HydrophobicContact CE1-CG2 3.65Å; L505-T524 HydrophobicContact CD1-CG2 3.64Å; L505-T524 HydrophobicContact CD2-CG2 4.28Å; E520-T524 WeakPolarHBondContact O-CB 3.02Å; E520-T524 PolarHBondContact O-N 2.94Å; E520-T524 PolarHBondContact O-OG1 2.93Å; C521-T524 PolarHBondContact O-N 3.38Å; L522-T524 VanDerWaalsContact C-N 3.28Å; L522-T524 PolarHBondContact O-N 3.22Å; T524-N527 PolarHBondContact O-N 2.99Å; T524-L528 WeakPolarHBondContact O-CG 3.46Å
525L97.4Very high93.4Very high0 Ų034.4 Ų34.40%018%0.184CC..Hα-helixtrans-63.3-41.2175.7-73-179.1000112V502 L505 A506 I509 C521 L522 N527 L528 W535 L568V502-L525 HydrophobicContact CB-CD2 4.47Å; V502-L525 HydrophobicContact CG1-CD2 4Å; L505-L525 HydrophobicContact CB-CD1 4.29Å; L505-L525 HydrophobicContact CB-CD2 3.82Å; L505-L525 HydrophobicContact CB-CG 3.96Å; L505-L525 HydrophobicContact CD1-CD2 3.91Å; L505-L525 HydrophobicContact CD1-CG 4.38Å; A506-L525 HydrophobicContact CB-CD1 4.32Å; I509-L525 HydrophobicContact CD1-CD1 3.57Å; C521-L525 PolarHBondContact O-N 2.93Å; L522-L525 PolarHBondContact O-N 3.43Å; L522-L525 VanDerWaalsContact O-N 3.17Å; L525-N527 PolarHBondContact O-N 2.67Å; L525-L528 HydrophobicContact CD2-CD1 4.04Å; L525-L528 WeakPolarHBondContact O-CB 3.37Å; L525-L528 PolarHBondContact O-N 3.05Å; L525-W535 HydrophobicContact CB-CH2 4.02Å; L525-W535 HydrophobicContact CB-CZ3 4.42Å; L525-W535 HydrophobicContact CD2-CH2 4.21Å; L525-W535 HydrophobicContact CD2-CZ3 4.38Å; L525-W535 WeakPolarHBondContact O-CH2 3.22Å; L525-L568 HydrophobicContact CB-CD1 3.93Å
526A95.2Very high93.3Very high0 Ų033.5 Ų33.50%018%0.18CC..Hα-helixtrans-64.5-23.5-179.200000112.9L522 G523 L528 I567 L568 T571 R766L522-A526 VanDerWaalsContact O-CB 3.28Å; L522-A526 WeakPolarHBondContact O-CB 3.08Å; L522-A526 PolarHBondContact O-N 3.31Å; G523-A526 PolarHBondContact O-N 2.88Å; A526-L528 VanDerWaalsContact C-N 3.32Å; A526-I567 HydrophobicContact CB-CB 4.37Å; A526-I567 HydrophobicContact CB-CG2 3.82Å; A526-L568 HydrophobicContact CB-CB 4.17Å; A526-L568 HydrophobicContact CB-CD1 4.38Å; A526-T571 WeakPolarHBondContact CA-OG1 3.37Å; A526-T571 WeakPolarHBondContact O-CG2 3.3Å; A526-T571 PolarHBondContact O-OG1 2.96Å; A526-R766 PolarHBondContact O-NH1 3.39Å
527N94.7Very high93.3Very high26 Ų2631.1 Ų31.114%0.13917%0.171CC..THydrogen-bonded Turntrans-77.3-14.3172.9-77.3-23.1000113.7R485 S488 K495 G523 T524 L525 T529R485-N527 PolarHBondContact O-ND2 3.08Å; S488-N527 VanDerWaalsContact OG-CB 3.26Å; S488-N527 WeakPolarHBondContact OG-CB 3.38Å; S488-N527 PolarHBondContact OG-ND2 3.37Å; K495-N527 WeakPolarHBondContact CE-O 3.14Å; K495-N527 PolarHBondContact NZ-O 2.97Å; G523-N527 PolarHBondContact O-N 3.08Å; G523-N527 VanDerWaalsContact O-N 3.15Å; G523-N527 PolarHBondContact O-ND2 3.3Å; T524-N527 PolarHBondContact O-N 2.99Å; L525-N527 PolarHBondContact O-N 2.67Å; N527-T529 VanDerWaalsContact C-N 3.35Å; N527-T529 PolarHBondContact O-N 2.78Å
528L92.9Very high93.3Very high0 Ų031.7 Ų31.70%017%0.174CC..  trans-82.874.6-173.2-54.4-175.2000112.4K495 F498 V502 T524 L525 A526 I530 L533 W535K495-L528 HydrophobicContact CG-CD2 4.17Å; F498-L528 HydrophobicContact CB-CD1 3.94Å; F498-L528 HydrophobicContact CB-CD2 3.57Å; F498-L528 HydrophobicContact CB-CG 4.43Å; F498-L528 HydrophobicContact CD1-CD2 4.28Å; F498-L528 HydrophobicContact CD2-CD2 4.31Å; F498-L528 HydrophobicContact CG-CD2 3.81Å; V502-L528 HydrophobicContact CG2-CD1 3.76Å; T524-L528 WeakPolarHBondContact O-CG 3.46Å; L525-L528 HydrophobicContact CD2-CD1 4.04Å; L525-L528 WeakPolarHBondContact O-CB 3.37Å; L525-L528 PolarHBondContact O-N 3.05Å; A526-L528 VanDerWaalsContact C-N 3.32Å; L528-I530 HydrophobicContact CB-CD1 4.27Å; L528-I530 HydrophobicContact CB-CG1 4.37Å; L528-I530 HydrophobicContact CD2-CD1 4.37Å; L528-I530 PolarHBondContact O-N 3.27Å; L528-I530 VanDerWaalsContact O-N 3.08Å; L528-L533 HydrophobicContact CB-CD2 4.48Å; L528-W535 HydrophobicContact CB-CH2 4.41Å; L528-W535 HydrophobicContact CB-CZ2 4.04Å; L528-W535 WeakPolarHBondContact O-CZ2 3.37Å
529T87.6Confident93.2Very high64 Ų6431.7 Ų31.739%0.39318%0.175SC..  trans-83.261.3168.552.80000111.3K495 N527 T571 M574K495-T529 PolarHBondContact NZ-OG1 3.34Å; N527-T529 VanDerWaalsContact C-N 3.35Å; N527-T529 PolarHBondContact O-N 2.78Å; T529-T571 HydrophobicContact CG2-CG2 4.39Å; T529-M574 HydrophobicContact CG2-CE 4Å; T529-M574 HydrophobicContact CG2-SD 4.06Å
530I86.5Confident93.1Very high14 Ų1438.4 Ų38.47%0.07220%0.199CC..  trans-96.3121.9-177.2-55172.5000109.4K495 L499 L528 L533K495-I530 HydrophobicContact CD-CG1 4.08Å; K495-I530 HydrophobicContact CG-CD1 4.13Å; K495-I530 HydrophobicContact CG-CG1 3.82Å; K495-I530 WeakPolarHBondContact O-CD1 3.39Å; L499-I530 HydrophobicContact CD1-CG2 4.3Å; L499-I530 HydrophobicContact CD2-CB 4.4Å; L499-I530 HydrophobicContact CD2-CD1 3.76Å; L499-I530 HydrophobicContact CD2-CG2 3.97Å; L499-I530 HydrophobicContact CG-CD1 3.88Å; L499-I530 HydrophobicContact CG-CG2 4.35Å; L528-I530 HydrophobicContact CB-CD1 4.27Å; L528-I530 HydrophobicContact CB-CG1 4.37Å; L528-I530 HydrophobicContact CD2-CD1 4.37Å; L528-I530 PolarHBondContact O-N 3.27Å; L528-I530 VanDerWaalsContact O-N 3.08Å; I530-L533 HydrophobicContact CB-CB 4.41Å; I530-L533 PolarHBondContact O-N 3.16Å
531P79.2Confident93Very high102 Ų10244.2 Ų44.266%0.66223%0.226SC*.THydrogen-bonded Turntrans-57.2139.9172-21.432.7000110.5L533P531-L533 VanDerWaalsContact C-N 3.32Å; P531-L533 PolarHBondContact O-N 2.95Å
532D80Confident92.9Very high171 Ų17148.5 Ų48.591%0.91424%0.243SC*.THydrogen-bonded Turntrans74.55.4178.9-44.7-47.6000116.5D534D532-D534 PolarHBondContact O-N 3.34Å
533L90Very high92.8Very high22 Ų2250.5 Ų50.512%0.11526%0.263CS..  trans-72.2119169.1178.557.6000110.2L499 V502 L528 I530 P531 W535L499-L533 HydrophobicContact CD2-CB 4.42Å; L499-L533 HydrophobicContact CD2-CD1 4.04Å; V502-L533 HydrophobicContact CG1-CD1 4.41Å; V502-L533 HydrophobicContact CG2-CD1 4.16Å; V502-L533 HydrophobicContact CG2-CD2 4.13Å; L528-L533 HydrophobicContact CB-CD2 4.48Å; I530-L533 HydrophobicContact CB-CB 4.41Å; I530-L533 PolarHBondContact O-N 3.16Å; P531-L533 VanDerWaalsContact C-N 3.32Å; P531-L533 PolarHBondContact O-N 2.95Å; L533-W535 VanDerWaalsContact C-N 3.34Å; L533-W535 HydrophobicContact CD2-CD2 4.05Å; L533-W535 VanDerWaalsContact CD2-CE2 3.48Å; L533-W535 HydrophobicContact CD2-CH2 4.08Å; L533-W535 HydrophobicContact CD2-CZ2 3.53Å; L533-W535 HydrophobicContact CG-CD2 4.32Å; L533-W535 HydrophobicContact CG-CG 4.48Å; L533-W535 PolarHBondContact O-N 3.29Å
534D92.6Very high92.8Very high85 Ų8550.6 Ų50.646%0.45526%0.264SS..  trans-78.381.3178.1-170-16.8000111.1D532 E536 L537 V538D532-D534 PolarHBondContact O-N 3.34Å; D534-E536 PolarHBondContact O-N 2.9Å; D534-E536 WeakPolarHBondContact OD1-CB 3.4Å; D534-E536 PolarHBondContact OD1-N 2.95Å; D534-E536 VanDerWaalsContact OD1-N 3.16Å; D534-L537 HydrophobicContact CB-CB 4.13Å; D534-L537 PolarHBondContact O-N 3.15Å; D534-L537 PolarHBondContact OD1-N 2.83Å; D534-V538 WeakPolarHBondContact O-CG2 3.43Å; D534-V538 PolarHBondContact O-N 3.18Å
535W94.8Very high92.8Very high10 Ų1051.3 Ų51.34%0.03827%0.268CS..Hα-helixtrans-61.5-27176-76.4112.5000112.7L525 L528 L533 V538 L539 L568 T571 V572 D575 C578L525-W535 HydrophobicContact CB-CH2 4.02Å; L525-W535 HydrophobicContact CB-CZ3 4.42Å; L525-W535 HydrophobicContact CD2-CH2 4.21Å; L525-W535 HydrophobicContact CD2-CZ3 4.38Å; L525-W535 WeakPolarHBondContact O-CH2 3.22Å; L528-W535 HydrophobicContact CB-CH2 4.41Å; L528-W535 HydrophobicContact CB-CZ2 4.04Å; L528-W535 WeakPolarHBondContact O-CZ2 3.37Å; L533-W535 VanDerWaalsContact C-N 3.34Å; L533-W535 HydrophobicContact CD2-CD2 4.05Å; L533-W535 VanDerWaalsContact CD2-CE2 3.48Å; L533-W535 HydrophobicContact CD2-CH2 4.08Å; L533-W535 HydrophobicContact CD2-CZ2 3.53Å; L533-W535 HydrophobicContact CG-CD2 4.32Å; L533-W535 HydrophobicContact CG-CG 4.48Å; L533-W535 PolarHBondContact O-N 3.29Å; W535-V538 HydrophobicContact CE3-CB 4.39Å; W535-V538 HydrophobicContact CE3-CG1 4.37Å; W535-V538 HydrophobicContact CZ3-CG1 4.47Å; W535-V538 PolarHBondContact O-N 3.17Å; W535-L539 WeakPolarHBondContact O-CB 3.45Å; W535-L539 VanDerWaalsContact O-CG 3.22Å; W535-L539 WeakPolarHBondContact O-CG 3.34Å; W535-L539 PolarHBondContact O-N 3.16Å; W535-L568 HydrophobicContact CH2-CD1 4.17Å; W535-L568 HydrophobicContact CZ3-CD1 4.19Å; W535-T571 HydrophobicContact CZ2-CG2 4.06Å; W535-V572 HydrophobicContact CB-CB 4.16Å; W535-V572 HydrophobicContact CB-CG1 4.13Å; W535-V572 HydrophobicContact CD2-CB 4.39Å; W535-V572 HydrophobicContact CD2-CG1 3.55Å; W535-V572 HydrophobicContact CE3-CG1 3.51Å; W535-V572 HydrophobicContact CG-CB 4.19Å; W535-V572 HydrophobicContact CG-CG1 3.85Å; W535-V572 HydrophobicContact CZ3-CG1 4.08Å; W535-D575 VanDerWaalsContact CD1-OD2 3.28Å; W535-C578 WeakPolarHBondContact CB-SG 3.33Å
536E94.3Very high92.7Very high43 Ų4354.6 Ų54.620%0.20129%0.289CS..Hα-helixtrans-65.4-44.5-179.7-166.2-171.616200110.3D534 R540 S577 C578 M581D534-E536 PolarHBondContact O-N 2.9Å; D534-E536 WeakPolarHBondContact OD1-CB 3.4Å; D534-E536 PolarHBondContact OD1-N 2.95Å; D534-E536 VanDerWaalsContact OD1-N 3.16Å; E536-R540 WeakPolarHBondContact O-CB 3.47Å; E536-R540 WeakPolarHBondContact O-CG 3.35Å; E536-R540 PolarHBondContact O-N 2.62Å; E536-R540 VanDerWaalsContact O-N 3.17Å; E536-R540 IonicContact OE1-CZ 3.7Å; E536-R540 IonicContact OE1-NE 2.66Å; E536-R540 IonicContact OE1-NH1 2.69Å; E536-R540 PolarHBondContact OE1-NH1 3.45Å; E536-R540 VanDerWaalsContact OE1-NH1 3.12Å; E536-R540 IonicContact OE1-NH2 3.75Å; E536-R540 PolarHBondContact OE1-NH2 3.22Å; E536-S577 WeakPolarHBondContact OE2-CB 3.31Å; E536-S577 PolarHBondContact OE2-OG 2.75Å; E536-C578 VanDerWaalsContact CA-SG 3.55Å; E536-C578 PolarHBondContact N-SG 2.79Å; E536-M581 HydrophobicContact CB-CE 4.47Å; E536-M581 HydrophobicContact CG-CE 3.25Å
537L94.9Very high92.8Very high82 Ų8255 Ų5543%0.42929%0.291SS..Hα-helixtrans-61.6-48.1174.5-17764.8000111D534 L539 R540 E541D534-L537 HydrophobicContact CB-CB 4.13Å; D534-L537 PolarHBondContact O-N 3.15Å; D534-L537 PolarHBondContact OD1-N 2.83Å; L537-L539 PolarHBondContact O-N 2.89Å; L537-R540 PolarHBondContact O-N 3.38Å; L537-R540 VanDerWaalsContact O-N 3.16Å; L537-E541 HydrophobicContact CD1-CG 3.82Å; L537-E541 HydrophobicContact CG-CG 4.18Å; L537-E541 WeakPolarHBondContact O-CG 3.28Å; L537-E541 PolarHBondContact O-N 2.82Å
538V96.2Very high92.9Very high14 Ų1453.8 Ų53.89%0.08528%0.284CS..Hα-helixtrans-59.3-49-180176.90000111.2V502 A506 D534 W535 R540 Y542 L544V502-V538 HydrophobicContact CG1-CG1 4.02Å; V502-V538 HydrophobicContact CG1-CG2 3.7Å; A506-V538 HydrophobicContact CB-CG1 3.96Å; D534-V538 WeakPolarHBondContact O-CG2 3.43Å; D534-V538 PolarHBondContact O-N 3.18Å; W535-V538 HydrophobicContact CE3-CB 4.39Å; W535-V538 HydrophobicContact CE3-CG1 4.37Å; W535-V538 HydrophobicContact CZ3-CG1 4.47Å; W535-V538 PolarHBondContact O-N 3.17Å; V538-R540 PolarHBondContact O-N 3.19Å; V538-Y542 HydrophobicContact CG1-CD2 4.24Å; V538-Y542 WeakPolarHBondContact O-CD2 3.42Å; V538-Y542 PolarHBondContact O-N 2.85Å; V538-L544 HydrophobicContact CG1-CD1 4.39Å
539L96.2Very high93Very high2 Ų257.9 Ų57.91%0.0130%0.302CS..Hα-helixtrans-60.4-33.6179.1-71.3176.5000112.4W535 L537 G543 L544 V545 L548 V572 C578 M581W535-L539 WeakPolarHBondContact O-CB 3.45Å; W535-L539 VanDerWaalsContact O-CG 3.22Å; W535-L539 WeakPolarHBondContact O-CG 3.34Å; W535-L539 PolarHBondContact O-N 3.16Å; L537-L539 PolarHBondContact O-N 2.89Å; L539-G543 PolarHBondContact O-N 3.29Å; L539-L544 HydrophobicContact CD2-CB 3.81Å; L539-L544 HydrophobicContact CD2-CD1 4.16Å; L539-L544 PolarHBondContact O-N 2.92Å; L539-V545 HydrophobicContact CB-CG2 4.08Å; L539-V545 HydrophobicContact CD1-CG2 4.38Å; L539-L548 HydrophobicContact CD2-CD1 4.06Å; L539-V572 HydrophobicContact CD1-CB 4.29Å; L539-V572 HydrophobicContact CD1-CG2 4.14Å; L539-C578 HydrophobicContact CD1-CB 4.43Å; L539-M581 HydrophobicContact CB-SD 4.35Å
540R95.3Very high93.4Very high160 Ų16060.3 Ų60.360%0.60430%0.304SS*.Hα-helixtrans-77.8-51.8178.8-78.3179.4171.7164.413.9113.2E536 L537 V538 Y542 G543 M581E536-R540 WeakPolarHBondContact O-CB 3.47Å; E536-R540 WeakPolarHBondContact O-CG 3.35Å; E536-R540 PolarHBondContact O-N 2.62Å; E536-R540 VanDerWaalsContact O-N 3.17Å; E536-R540 IonicContact OE1-CZ 3.7Å; E536-R540 IonicContact OE1-NE 2.66Å; E536-R540 IonicContact OE1-NH1 2.69Å; E536-R540 PolarHBondContact OE1-NH1 3.45Å; E536-R540 VanDerWaalsContact OE1-NH1 3.12Å; E536-R540 IonicContact OE1-NH2 3.75Å; E536-R540 PolarHBondContact OE1-NH2 3.22Å; L537-R540 PolarHBondContact O-N 3.38Å; L537-R540 VanDerWaalsContact O-N 3.16Å; V538-R540 PolarHBondContact O-N 3.19Å; R540-Y542 VanDerWaalsContact C-N 3.28Å; R540-Y542 PolarHBondContact O-N 2.74Å; R540-G543 PolarHBondContact O-N 3.1Å; R540-M581 HydrophobicContact CG-CE 3.7Å; R540-M581 HydrophobicContact CG-SD 4.28Å
541E96Very high93.8Very high134 Ų13460.8 Ų60.863%0.62631%0.305SS*.Hα-helixtrans-62-38.8-174.7-74.4-167.7156.300111.8L537L537-E541 HydrophobicContact CD1-CG 3.82Å; L537-E541 HydrophobicContact CG-CG 4.18Å; L537-E541 WeakPolarHBondContact O-CG 3.28Å; L537-E541 PolarHBondContact O-N 2.82Å
542Y96.2Very high94.6Very high90 Ų9056 Ų5635%0.35327%0.274SS..THydrogen-bonded Turntrans-95.60.9-179.8-64.2-81000113.6G503 A506 A507 V538 R540 L544G503-Y542 VanDerWaalsContact C-OH 3.29Å; G503-Y542 VanDerWaalsContact CA-CZ 3.5Å; G503-Y542 WeakPolarHBondContact CA-OH 3.42Å; G503-Y542 WeakPolarHBondContact O-CE1 3.26Å; G503-Y542 PolarHBondContact O-OH 3.02Å; G503-Y542 VanDerWaalsContact O-OH 3.12Å; A506-Y542 HydrophobicContact CB-CD1 4.06Å; A506-Y542 HydrophobicContact CB-CD2 3.56Å; A506-Y542 HydrophobicContact CB-CE1 4.42Å; A506-Y542 HydrophobicContact CB-CE2 3.96Å; A506-Y542 HydrophobicContact CB-CG 3.61Å; A507-Y542 HydrophobicContact CB-CD1 4.07Å; A507-Y542 HydrophobicContact CB-CE1 3.71Å; V538-Y542 HydrophobicContact CG1-CD2 4.24Å; V538-Y542 WeakPolarHBondContact O-CD2 3.42Å; V538-Y542 PolarHBondContact O-N 2.85Å; R540-Y542 VanDerWaalsContact C-N 3.28Å; R540-Y542 PolarHBondContact O-N 2.74Å; Y542-L544 VanDerWaalsContact C-N 3.32Å; Y542-L544 PolarHBondContact O-N 3.23Å
543G95.2Very high95.2Very high42 Ų4254.2 Ų54.243%0.43326%0.258SS..THydrogen-bonded Turntrans58.740.4176.600000113.7L539 R540 P546L539-G543 PolarHBondContact O-N 3.29Å; R540-G543 PolarHBondContact O-N 3.1Å; G543-P546 WeakPolarHBondContact O-CD 2.94Å
544L96.7Very high95.2Very high2 Ų256.4 Ų56.41%0.0127%0.274CS..Hα-helixtrans-78-30.3-171.2-61.1-177.8000113.2A506 I509 V538 L539 Y542 Y547 L548A506-L544 HydrophobicContact CB-CD1 4.21Å; I509-L544 HydrophobicContact CB-CD2 3.87Å; I509-L544 HydrophobicContact CD1-CD1 4.37Å; I509-L544 HydrophobicContact CD1-CD2 4.35Å; I509-L544 HydrophobicContact CG2-CD2 4Å; V538-L544 HydrophobicContact CG1-CD1 4.39Å; L539-L544 HydrophobicContact CD2-CB 3.81Å; L539-L544 HydrophobicContact CD2-CD1 4.16Å; L539-L544 PolarHBondContact O-N 2.92Å; Y542-L544 VanDerWaalsContact C-N 3.32Å; Y542-L544 PolarHBondContact O-N 3.23Å; L544-Y547 WeakPolarHBondContact O-CA 3.34Å; L544-Y547 WeakPolarHBondContact O-CB 3.47Å; L544-Y547 PolarHBondContact O-N 2.98Å; L544-L548 WeakPolarHBondContact O-CG 3.15Å; L544-L548 PolarHBondContact O-N 3.32Å
545V96.6Very high94.9Very high15 Ų1555.9 Ų55.99%0.09129%0.288CS..Hα-helixtrans-56.3-46.6-175.4179.60000113.3L539 Y547 L548 K549 M581 L582 S585L539-V545 HydrophobicContact CB-CG2 4.08Å; L539-V545 HydrophobicContact CD1-CG2 4.38Å; V545-Y547 VanDerWaalsContact C-N 3.31Å; V545-Y547 PolarHBondContact O-N 2.75Å; V545-L548 PolarHBondContact O-N 2.9Å; V545-K549 WeakPolarHBondContact O-CB 3.39Å; V545-K549 PolarHBondContact O-N 2.76Å; V545-M581 HydrophobicContact CG2-CG 4.39Å; V545-M581 HydrophobicContact CG2-SD 3.77Å; V545-L582 HydrophobicContact CG1-CD2 4.25Å; V545-L582 HydrophobicContact CG2-CD2 4.16Å; V545-S585 VanDerWaalsContact CG1-CB 3.43Å; V545-S585 VanDerWaalsContact CG1-OG 3.26Å; V545-S585 WeakPolarHBondContact CG1-OG 3.36Å
546P95.9Very high94.8Very high69 Ų6957.3 Ų57.345%0.44830%0.3SS..Hα-helixtrans-60.4-36.7173.5-24.634.9000114G543 R550G543-P546 WeakPolarHBondContact O-CD 2.94Å; P546-R550 WeakPolarHBondContact O-CG 3.47Å; P546-R550 PolarHBondContact O-N 3.3Å; P546-R550 VanDerWaalsContact O-N 3.12Å; P546-R550 PolarHBondContact O-NH1 2.99Å
547Y96.4Very high94.8Very high8 Ų856.2 Ų56.23%0.03130%0.298CS..Hα-helixtrans-65.5-52.7177.7177.3-90.7000110.7I509 E511 L544 V545 K549 R550 R551 V565I509-Y547 HydrophobicContact CG2-CD1 3.5Å; I509-Y547 VanDerWaalsContact CG2-CD1 3.5Å; I509-Y547 HydrophobicContact CG2-CE1 3.43Å; I509-Y547 VanDerWaalsContact CG2-CE1 3.43Å; I509-Y547 HydrophobicContact CG2-CG 4.13Å; E511-Y547 HydrophobicContact CG-CD2 4.3Å; E511-Y547 HydrophobicContact CG-CE2 4.09Å; L544-Y547 WeakPolarHBondContact O-CA 3.34Å; L544-Y547 WeakPolarHBondContact O-CB 3.47Å; L544-Y547 PolarHBondContact O-N 2.98Å; V545-Y547 VanDerWaalsContact C-N 3.31Å; V545-Y547 PolarHBondContact O-N 2.75Å; Y547-K549 VanDerWaalsContact C-N 3.32Å; Y547-K549 PolarHBondContact O-N 2.91Å; Y547-R550 PolarHBondContact O-N 2.97Å; Y547-R551 HydrophobicContact CD1-CG 4.29Å; Y547-R551 HydrophobicContact CE1-CG 3.81Å; Y547-R551 HydrophobicContact CE2-CG 4.15Å; Y547-R551 PolarHBondContact O-N 2.89Å; Y547-R551 PolarHBondContact OH-NE 3.26Å; Y547-V565 HydrophobicContact CE1-CG2 4.33Å
548L97Very high94.7Very high0 Ų058.5 Ų58.50%031%0.306CS..Hα-helixtrans-54.3-49.1178.3-61.3175.2000110.7L539 L544 V545 R550 R551 L552 V565 L568 I569 I587L539-L548 HydrophobicContact CD2-CD1 4.06Å; L544-L548 WeakPolarHBondContact O-CG 3.15Å; L544-L548 PolarHBondContact O-N 3.32Å; V545-L548 PolarHBondContact O-N 2.9Å; L548-R550 VanDerWaalsContact C-N 3.33Å; L548-R550 PolarHBondContact O-N 3.47Å; L548-R551 PolarHBondContact O-N 2.91Å; L548-L552 WeakPolarHBondContact O-CG 3.45Å; L548-L552 PolarHBondContact O-N 3.02Å; L548-L552 VanDerWaalsContact O-N 3.11Å; L548-V565 HydrophobicContact CB-CG1 4.17Å; L548-V565 HydrophobicContact CD2-CB 4.39Å; L548-V565 HydrophobicContact CD2-CG1 3.81Å; L548-V565 HydrophobicContact CD2-CG2 4.2Å; L548-L568 HydrophobicContact CD2-CD2 4.15Å; L548-I569 HydrophobicContact CB-CD1 4.29Å; L548-I569 HydrophobicContact CB-CG1 4.44Å; L548-I569 HydrophobicContact CD1-CG1 4.11Å; L548-I587 HydrophobicContact CB-CD1 4.16Å
549K95.9Very high94.6Very high86 Ų8661.1 Ų61.137%0.37432%0.32SS..Hα-helixtrans-61.1-37.7178.6-175.3178-178.1179.80113.3V545 Y547 S585 G586 I587V545-K549 WeakPolarHBondContact O-CB 3.39Å; V545-K549 PolarHBondContact O-N 2.76Å; Y547-K549 VanDerWaalsContact C-N 3.32Å; Y547-K549 PolarHBondContact O-N 2.91Å; K549-S585 WeakPolarHBondContact CD-O 3.46Å; K549-S585 WeakPolarHBondContact CE-O 3.43Å; K549-S585 PolarHBondContact NZ-O 2.63Å; K549-G586 WeakPolarHBondContact CE-O 3.46Å; K549-I587 HydrophobicContact CB-CD1 4.2Å
550R95.3Very high94.4Very high116 Ų11663.6 Ų63.644%0.43833%0.333SS..Hα-helixtrans-67.8-40178-77.8-166.2-57.6-88.47.7111.6E511 P546 Y547 L548 L552 K553 S556E511-R550 IonicContact OE1-CZ 3.12Å; E511-R550 IonicContact OE1-NE 3.65Å; E511-R550 PolarHBondContact OE1-NE 2.96Å; E511-R550 IonicContact OE1-NH2 3.91Å; E511-R550 PolarHBondContact OE1-NH2 2.99Å; P546-R550 WeakPolarHBondContact O-CG 3.47Å; P546-R550 PolarHBondContact O-N 3.3Å; P546-R550 VanDerWaalsContact O-N 3.12Å; P546-R550 PolarHBondContact O-NH1 2.99Å; Y547-R550 PolarHBondContact O-N 2.97Å; L548-R550 VanDerWaalsContact C-N 3.33Å; L548-R550 PolarHBondContact O-N 3.47Å; R550-L552 VanDerWaalsContact C-N 3.32Å; R550-K553 PolarHBondContact O-N 3.27Å; R550-S556 PolarHBondContact O-OG 2.86Å
551R95.4Very high94.4Very high24 Ų2456 Ų569%0.09130%0.304CS..Hα-helixtrans-74.6-16.5-179.5-66.7-59.7-169.8167.413.3114.3E515 Y547 L548 K553 S556 V565E515-R551 IonicContact OE1-CZ 2.61Å; E515-R551 IonicContact OE1-NH1 2.93Å; E515-R551 PolarHBondContact OE1-NH1 2.77Å; E515-R551 IonicContact OE1-NH2 2.62Å; E515-R551 PolarHBondContact OE1-NH2 3.12Å; Y547-R551 HydrophobicContact CD1-CG 4.29Å; Y547-R551 HydrophobicContact CE1-CG 3.81Å; Y547-R551 HydrophobicContact CE2-CG 4.15Å; Y547-R551 PolarHBondContact O-N 2.89Å; Y547-R551 PolarHBondContact OH-NE 3.26Å; L548-R551 PolarHBondContact O-N 2.91Å; R551-K553 PolarHBondContact O-N 2.97Å; R551-S556 VanDerWaalsContact C-OG 3.31Å; R551-S556 WeakPolarHBondContact CA-OG 3.35Å; R551-S556 PolarHBondContact NH1-O 2.63Å; R551-S556 PolarHBondContact O-OG 3.42Å; R551-V565 HydrophobicContact CB-CG1 4.33Å; R551-V565 HydrophobicContact CB-CG2 3.94Å; R551-V565 HydrophobicContact CG-CG2 4.45Å
552L95.8Very high94.5Very high1 Ų149.6 Ų49.61%0.00528%0.275CS..THydrogen-bonded Turntrans-72.2-9.5170.8-71.3179.7000114.2L548 R550 V565 V566 I569 I587 A590 L591 L594L548-L552 WeakPolarHBondContact O-CG 3.45Å; L548-L552 PolarHBondContact O-N 3.02Å; L548-L552 VanDerWaalsContact O-N 3.11Å; R550-L552 VanDerWaalsContact C-N 3.32Å; L552-V565 HydrophobicContact CD2-CG1 4.08Å; L552-V565 HydrophobicContact CG-CG1 4.33Å; L552-V566 HydrophobicContact CD2-CG2 3.74Å; L552-I569 HydrophobicContact CD1-CD1 3.74Å; L552-I569 HydrophobicContact CD2-CD1 3.95Å; L552-I569 HydrophobicContact CG-CD1 4.05Å; L552-I587 HydrophobicContact CD1-CD1 4.03Å; L552-I587 HydrophobicContact CD1-CG2 4.1Å; L552-A590 HydrophobicContact CB-CB 4.08Å; L552-A590 HydrophobicContact CD1-CB 3.97Å; L552-L591 HydrophobicContact CD1-CD2 3.82Å; L552-L591 HydrophobicContact CD1-CG 3.97Å; L552-L591 HydrophobicContact CD2-CD2 3.78Å; L552-L591 HydrophobicContact CG-CD2 4.46Å; L552-L594 HydrophobicContact CD2-CD2 3.77Å
553K92.9Very high94.4Very high134 Ų13445.4 Ų45.458%0.58326%0.258SS*.SBendtrans-71.9132.6178.1-68.5-177.9179.2-1760109.9R550 R551 G555 S556R550-K553 PolarHBondContact O-N 3.27Å; R551-K553 PolarHBondContact O-N 2.97Å; K553-G555 PolarHBondContact O-N 3.34Å; K553-S556 WeakPolarHBondContact O-CB 3.25Å; K553-S556 PolarHBondContact O-N 3.46Å; K553-S556 PolarHBondContact O-OG 2.81Å
554P89.3Confident94.4Very high68 Ų6843.7 Ų43.744%0.44224%0.239SC..THydrogen-bonded Turntrans-53.8131.3175.6-27.134.9000111.8S556 L594 A597P554-S556 VanDerWaalsContact C-N 3.3Å; P554-S556 PolarHBondContact O-N 2.97Å; P554-L594 HydrophobicContact CG-CD1 4.39Å; P554-A597 HydrophobicContact CB-CB 3.87Å; P554-A597 HydrophobicContact CG-CB 3.5Å; P554-A597 VanDerWaalsContact CG-CB 3.5Å
555G87.9Confident94.5Very high74 Ų7443.6 Ų43.676%0.76324%0.238SC*.THydrogen-bonded Turntrans71.116.6-178.600000115.5K553K553-G555 PolarHBondContact O-N 3.34Å
556S92.4Very high94.5Very high40 Ų4042.9 Ų42.928%0.2823%0.234SC..SBendtrans-82.3-15.7177.7670000114.8R550 R551 K553 P554R550-S556 PolarHBondContact O-OG 2.86Å; R551-S556 VanDerWaalsContact C-OG 3.31Å; R551-S556 WeakPolarHBondContact CA-OG 3.35Å; R551-S556 PolarHBondContact NH1-O 2.63Å; R551-S556 PolarHBondContact O-OG 3.42Å; K553-S556 WeakPolarHBondContact O-CB 3.25Å; K553-S556 PolarHBondContact O-N 3.46Å; K553-S556 PolarHBondContact O-OG 2.81Å; P554-S556 VanDerWaalsContact C-N 3.3Å; P554-S556 PolarHBondContact O-N 2.97Å
557A93.2Very high94.5Very high19 Ų1940.1 Ų40.116%0.15722%0.215CC..SBendtrans-158.5178.1174.600000109.2L561 I562A557-L561 HydrophobicContact CB-CB 4.11Å; A557-L561 HydrophobicContact CB-CD2 3.78Å; A557-L561 HydrophobicContact CB-CG 4.11Å; A557-I562 HydrophobicContact CB-CG1 3.96Å
558E92.8Very high94.5Very high131 Ų13139.8 Ų39.861%0.61221%0.214SC*.  trans-62.2147.6164.2-63.4-172.2170.100111D560 L561 I562E558-D560 PolarHBondContact O-N 2.99Å; E558-L561 PolarHBondContact O-N 3.36Å; E558-I562 PolarHBondContact O-N 3.01Å; E558-I562 VanDerWaalsContact O-N 3.17Å
559D93.5Very high94.5Very high69 Ų6939.8 Ų39.837%0.36921%0.214SC..Hα-helixtrans-58.4-36.1-173.7-74.4-27.8000112.3L561 I562 L563 Q598 F604D559-L561 VanDerWaalsContact C-N 3.31Å; D559-L561 PolarHBondContact O-N 2.73Å; D559-I562 PolarHBondContact O-N 3.1Å; D559-L563 VanDerWaalsContact O-CB 3.31Å; D559-L563 WeakPolarHBondContact O-CB 3.41Å; D559-L563 PolarHBondContact O-N 3.28Å; D559-Q598 PolarHBondContact OD1-NE2 3.08Å; D559-Q598 VanDerWaalsContact OD1-NE2 3.08Å; D559-F604 HydrophobicContact CB-CE2 3.91Å; D559-F604 HydrophobicContact CB-CZ 4.01Å; D559-F604 WeakPolarHBondContact O-CZ 3.27Å
560D93.6Very high94.4Very high54 Ų5435.7 Ų35.729%0.28920%0.197SC..Hα-helixtrans-54.9-44.7175-63.121.9000111.9I519 E558 E564 W771I519-D560 HydrophobicContact CD1-CB 3.95Å; E558-D560 PolarHBondContact O-N 2.99Å; D560-E564 WeakPolarHBondContact O-CG 3Å; D560-E564 PolarHBondContact O-N 3.1Å; D560-E564 VanDerWaalsContact O-N 3.13Å; D560-W771 WeakPolarHBondContact OD1-CH2 3.42Å; D560-W771 WeakPolarHBondContact OD1-CZ3 3.22Å; D560-W771 VanDerWaalsContact OD2-CZ3 3.27Å; D560-W771 WeakPolarHBondContact OD2-CZ3 3.5Å
561L95.4Very high94.3Very high0 Ų030.2 Ų30.20%018%0.176CC..Hα-helixtrans-71.2-40.5178.4176.858000111.9E515 V518 I519 L522 A557 E558 D559 L563 E564 V565E515-L561 HydrophobicContact CB-CD2 3.97Å; E515-L561 HydrophobicContact CG-CD2 3.83Å; V518-L561 HydrophobicContact CB-CD1 4.46Å; V518-L561 HydrophobicContact CG1-CD1 3.94Å; I519-L561 HydrophobicContact CD1-CB 4.05Å; I519-L561 HydrophobicContact CG1-CB 3.8Å; I519-L561 HydrophobicContact CG1-CD1 3.88Å; I519-L561 HydrophobicContact CG1-CG 4.41Å; L522-L561 HydrophobicContact CD1-CD1 3.43Å; L522-L561 VanDerWaalsContact CD1-CD1 3.43Å; A557-L561 HydrophobicContact CB-CB 4.11Å; A557-L561 HydrophobicContact CB-CD2 3.78Å; A557-L561 HydrophobicContact CB-CG 4.11Å; E558-L561 PolarHBondContact O-N 3.36Å; D559-L561 VanDerWaalsContact C-N 3.31Å; D559-L561 PolarHBondContact O-N 2.73Å; L561-L563 VanDerWaalsContact C-N 3.3Å; L561-L563 PolarHBondContact O-N 2.64Å; L561-E564 PolarHBondContact O-N 2.96Å; L561-V565 WeakPolarHBondContact O-CG2 3.27Å; L561-V565 PolarHBondContact O-N 2.9Å; L561-V565 VanDerWaalsContact O-N 3.12Å
562I96.4Very high94.3Very high0 Ų029.1 Ų29.10%017%0.172CC..Hα-helixtrans-63.4-42177.1-56.8-179.1000109.8A557 E558 D559 V565 V566 L594 F604A557-I562 HydrophobicContact CB-CG1 3.96Å; E558-I562 PolarHBondContact O-N 3.01Å; E558-I562 VanDerWaalsContact O-N 3.17Å; D559-I562 PolarHBondContact O-N 3.1Å; I562-V565 WeakPolarHBondContact O-CB 3.44Å; I562-V565 PolarHBondContact O-N 3.41Å; I562-V566 WeakPolarHBondContact O-CG2 3.48Å; I562-V566 PolarHBondContact O-N 2.87Å; I562-L594 HydrophobicContact CG2-CD1 4.15Å; I562-L594 HydrophobicContact CG2-CD2 3.71Å; I562-F604 HydrophobicContact CB-CE1 4.13Å; I562-F604 HydrophobicContact CB-CZ 4.17Å; I562-F604 HydrophobicContact CG2-CE1 3.79Å; I562-F604 HydrophobicContact CG2-CZ 4.28Å
563L95.4Very high94.1Very high2 Ų229 Ų291%0.0117%0.172CC..Hα-helixtrans-62.5-45.5179-176.562.1000111.3D559 L561 V565 V566 I567 E603 F604 Q607 W771D559-L563 VanDerWaalsContact O-CB 3.31Å; D559-L563 WeakPolarHBondContact O-CB 3.41Å; D559-L563 PolarHBondContact O-N 3.28Å; L561-L563 VanDerWaalsContact C-N 3.3Å; L561-L563 PolarHBondContact O-N 2.64Å; L563-V565 VanDerWaalsContact C-N 3.26Å; L563-V565 PolarHBondContact O-N 3.25Å; L563-V566 WeakPolarHBondContact O-CA 3.21Å; L563-V566 WeakPolarHBondContact O-CB 3.31Å; L563-V566 PolarHBondContact O-N 3.17Å; L563-I567 HydrophobicContact CD1-CD1 4.46Å; L563-I567 HydrophobicContact CD1-CG1 4.47Å; L563-I567 HydrophobicContact CG-CD1 4.02Å; L563-I567 HydrophobicContact CG-CG1 4.45Å; L563-I567 VanDerWaalsContact O-CG1 3.3Å; L563-I567 WeakPolarHBondContact O-CG1 3.45Å; L563-I567 PolarHBondContact O-N 3.05Å; L563-E603 HydrophobicContact CD1-CG 3.97Å; L563-E603 HydrophobicContact CD2-CG 3.72Å; L563-E603 HydrophobicContact CG-CG 4.49Å; L563-F604 HydrophobicContact CB-CE1 4.06Å; L563-F604 HydrophobicContact CB-CZ 3.92Å; L563-F604 HydrophobicContact CD1-CD1 4.2Å; L563-F604 HydrophobicContact CD1-CE1 4.25Å; L563-F604 HydrophobicContact CD1-CG 4.48Å; L563-Q607 HydrophobicContact CD1-CB 4.34Å; L563-Q607 HydrophobicContact CD1-CG 4.02Å; L563-W771 HydrophobicContact CD2-CB 4.02Å; L563-W771 HydrophobicContact CD2-CD2 4.41Å; L563-W771 HydrophobicContact CD2-CG 3.66Å
564E95.8Very high93.9Very high5 Ų525.7 Ų25.72%0.02316%0.159CC..Hα-helixtrans-62-34.3175.4-67.9-52.1148.800112.9R485 I519 L522 G523 D560 L561 I567 L568R485-E564 IonicContact CZ-OE1 2.96Å; R485-E564 IonicContact CZ-OE2 2.99Å; R485-E564 IonicContact NH1-OE1 3.76Å; R485-E564 PolarHBondContact NH1-OE1 3.19Å; R485-E564 VanDerWaalsContact NH1-OE1 3.1Å; R485-E564 IonicContact NH2-OE1 2.63Å; R485-E564 PolarHBondContact NH2-OE1 3.41Å; R485-E564 IonicContact NH2-OE2 2.89Å; R485-E564 PolarHBondContact NH2-OE2 3.41Å; I519-E564 HydrophobicContact CG2-CG 3.93Å; L522-E564 HydrophobicContact CB-CB 3.89Å; L522-E564 HydrophobicContact CD1-CB 4.26Å; G523-E564 WeakPolarHBondContact CA-OE2 3.04Å; D560-E564 WeakPolarHBondContact O-CG 3Å; D560-E564 PolarHBondContact O-N 3.1Å; D560-E564 VanDerWaalsContact O-N 3.13Å; L561-E564 PolarHBondContact O-N 2.96Å; E564-I567 PolarHBondContact O-N 3.31Å; E564-L568 WeakPolarHBondContact O-CB 3.23Å; E564-L568 PolarHBondContact O-N 3.32Å
565V97.6Very high93.9Very high0 Ų025.1 Ų25.10%015%0.152CC..Hα-helixtrans-62.1-44.8172164.70000110.8L522 Y547 L548 R551 L552 L561 I562 L563 L568 I569L522-V565 HydrophobicContact CD1-CG2 3.79Å; Y547-V565 HydrophobicContact CE1-CG2 4.33Å; L548-V565 HydrophobicContact CB-CG1 4.17Å; L548-V565 HydrophobicContact CD2-CB 4.39Å; L548-V565 HydrophobicContact CD2-CG1 3.81Å; L548-V565 HydrophobicContact CD2-CG2 4.2Å; R551-V565 HydrophobicContact CB-CG1 4.33Å; R551-V565 HydrophobicContact CB-CG2 3.94Å; R551-V565 HydrophobicContact CG-CG2 4.45Å; L552-V565 HydrophobicContact CD2-CG1 4.08Å; L552-V565 HydrophobicContact CG-CG1 4.33Å; L561-V565 WeakPolarHBondContact O-CG2 3.27Å; L561-V565 PolarHBondContact O-N 2.9Å; L561-V565 VanDerWaalsContact O-N 3.12Å; I562-V565 WeakPolarHBondContact O-CB 3.44Å; I562-V565 PolarHBondContact O-N 3.41Å; L563-V565 VanDerWaalsContact C-N 3.26Å; L563-V565 PolarHBondContact O-N 3.25Å; V565-L568 PolarHBondContact O-N 3.47Å; V565-I569 HydrophobicContact CG1-CD1 3.95Å; V565-I569 VanDerWaalsContact O-CG1 3.26Å; V565-I569 WeakPolarHBondContact O-CG1 3.25Å; V565-I569 PolarHBondContact O-N 3.41Å
566V97.2Very high94Very high0 Ų025.7 Ų25.70%014%0.138CC..Hα-helixtrans-60.6-47.5175.71720000110.3L552 I562 L563 L568 I569 G570 L594 Q607 I608 I611L552-V566 HydrophobicContact CD2-CG2 3.74Å; I562-V566 WeakPolarHBondContact O-CG2 3.48Å; I562-V566 PolarHBondContact O-N 2.87Å; L563-V566 WeakPolarHBondContact O-CA 3.21Å; L563-V566 WeakPolarHBondContact O-CB 3.31Å; L563-V566 PolarHBondContact O-N 3.17Å; V566-L568 PolarHBondContact O-N 3.04Å; V566-I569 WeakPolarHBondContact O-CB 2.95Å; V566-I569 PolarHBondContact O-N 2.98Å; V566-G570 PolarHBondContact O-N 3.18Å; V566-L594 HydrophobicContact CG2-CD2 3.75Å; V566-Q607 HydrophobicContact CG1-CB 3.69Å; V566-I608 HydrophobicContact CG1-CG1 3.75Å; V566-I608 HydrophobicContact CG2-CG1 4.35Å; V566-I611 HydrophobicContact CB-CD1 4.38Å; V566-I611 HydrophobicContact CG1-CD1 3.56Å; V566-I611 WeakPolarHBondContact O-CD1 3.35Å
567I95.5Very high94Very high11 Ų1126 Ų266%0.05614%0.14CC..Hα-helixtrans-63.7-40.6-179.9-59.4168.2000110.9A526 L563 E564 G570 T571 Q607A526-I567 HydrophobicContact CB-CB 4.37Å; A526-I567 HydrophobicContact CB-CG2 3.82Å; L563-I567 HydrophobicContact CD1-CD1 4.46Å; L563-I567 HydrophobicContact CD1-CG1 4.47Å; L563-I567 HydrophobicContact CG-CD1 4.02Å; L563-I567 HydrophobicContact CG-CG1 4.45Å; L563-I567 VanDerWaalsContact O-CG1 3.3Å; L563-I567 WeakPolarHBondContact O-CG1 3.45Å; L563-I567 PolarHBondContact O-N 3.05Å; E564-I567 PolarHBondContact O-N 3.31Å; I567-G570 PolarHBondContact O-N 2.73Å; I567-T571 PolarHBondContact O-N 3.45Å; I567-T571 PolarHBondContact O-OG1 2.79Å; I567-Q607 HydrophobicContact CG1-CG 4.06Å
568L96.4Very high94Very high1 Ų125.1 Ų25.11%0.00513%0.132CC..Hα-helixtrans-63.5-43.6174.5-179.460.6000111.6L522 L525 A526 W535 L548 E564 V565 V566 G570 T571 V572L522-L568 HydrophobicContact CD2-CD2 3.44Å; L522-L568 VanDerWaalsContact CD2-CD2 3.44Å; L525-L568 HydrophobicContact CB-CD1 3.93Å; A526-L568 HydrophobicContact CB-CB 4.17Å; A526-L568 HydrophobicContact CB-CD1 4.38Å; W535-L568 HydrophobicContact CH2-CD1 4.17Å; W535-L568 HydrophobicContact CZ3-CD1 4.19Å; L548-L568 HydrophobicContact CD2-CD2 4.15Å; E564-L568 WeakPolarHBondContact O-CB 3.23Å; E564-L568 PolarHBondContact O-N 3.32Å; V565-L568 PolarHBondContact O-N 3.47Å; V566-L568 PolarHBondContact O-N 3.04Å; L568-G570 VanDerWaalsContact C-N 3.27Å; L568-G570 PolarHBondContact O-N 3.12Å; L568-T571 WeakPolarHBondContact O-CA 3.26Å; L568-T571 VanDerWaalsContact O-CB 3.27Å; L568-T571 WeakPolarHBondContact O-CB 3.44Å; L568-T571 PolarHBondContact O-N 3.13Å; L568-V572 HydrophobicContact CD1-CG1 4.01Å; L568-V572 HydrophobicContact CG-CG1 4.41Å; L568-V572 PolarHBondContact O-N 3.07Å
569I97.1Very high94Very high0 Ų018.9 Ų18.90%010%0.103CC..Hα-helixtrans-57-43.9174.9-70.5166.3000110.4L548 L552 V565 V566 T571 V572 S573 L582 I587 L591 I611 M615L548-I569 HydrophobicContact CB-CD1 4.29Å; L548-I569 HydrophobicContact CB-CG1 4.44Å; L548-I569 HydrophobicContact CD1-CG1 4.11Å; L552-I569 HydrophobicContact CD1-CD1 3.74Å; L552-I569 HydrophobicContact CD2-CD1 3.95Å; L552-I569 HydrophobicContact CG-CD1 4.05Å; V565-I569 HydrophobicContact CG1-CD1 3.95Å; V565-I569 VanDerWaalsContact O-CG1 3.26Å; V565-I569 WeakPolarHBondContact O-CG1 3.25Å; V565-I569 PolarHBondContact O-N 3.41Å; V566-I569 WeakPolarHBondContact O-CB 2.95Å; V566-I569 PolarHBondContact O-N 2.98Å; I569-T571 VanDerWaalsContact C-N 3.25Å; I569-T571 PolarHBondContact O-N 3.5Å; I569-V572 WeakPolarHBondContact O-CG2 3.37Å; I569-V572 PolarHBondContact O-N 3.12Å; I569-S573 VanDerWaalsContact O-CB 3.22Å; I569-S573 WeakPolarHBondContact O-CB 3.48Å; I569-S573 PolarHBondContact O-N 3.33Å; I569-S573 PolarHBondContact O-OG 3.04Å; I569-L582 HydrophobicContact CG2-CD1 4.16Å; I569-I587 HydrophobicContact CD1-CD1 3.95Å; I569-I587 HydrophobicContact CD1-CG2 4.34Å; I569-I587 HydrophobicContact CG2-CG2 4.26Å; I569-L591 HydrophobicContact CG2-CD1 4.47Å; I569-I611 HydrophobicContact CB-CD1 4.03Å; I569-I611 HydrophobicContact CG2-CD1 3.76Å; I569-I611 HydrophobicContact CG2-CG1 4.16Å; I569-I611 HydrophobicContact CG2-CG2 3.83Å; I569-M615 HydrophobicContact CG2-CE 4.29Å
570G93.9Very high93.9Very high1 Ų116.2 Ų16.21%0.019%0.091CC..Hα-helixtrans-62.8-32.2175.800000113.2V566 I567 L568V566-G570 PolarHBondContact O-N 3.18Å; I567-G570 PolarHBondContact O-N 2.73Å; L568-G570 VanDerWaalsContact C-N 3.27Å; L568-G570 PolarHBondContact O-N 3.12Å
571T93.1Very high93.9Very high1 Ų115.1 Ų15.11%0.0068%0.084CC..Hα-helixtrans-68-54.8175.7-480000111.6A526 T529 W535 I567 L568 I569 S573 M574 R766A526-T571 WeakPolarHBondContact CA-OG1 3.37Å; A526-T571 WeakPolarHBondContact O-CG2 3.3Å; A526-T571 PolarHBondContact O-OG1 2.96Å; T529-T571 HydrophobicContact CG2-CG2 4.39Å; W535-T571 HydrophobicContact CZ2-CG2 4.06Å; I567-T571 PolarHBondContact O-N 3.45Å; I567-T571 PolarHBondContact O-OG1 2.79Å; L568-T571 WeakPolarHBondContact O-CA 3.26Å; L568-T571 VanDerWaalsContact O-CB 3.27Å; L568-T571 WeakPolarHBondContact O-CB 3.44Å; L568-T571 PolarHBondContact O-N 3.13Å; I569-T571 VanDerWaalsContact C-N 3.25Å; I569-T571 PolarHBondContact O-N 3.5Å; T571-S573 PolarHBondContact O-N 3.33Å; T571-M574 WeakPolarHBondContact O-CB 3.46Å; T571-M574 VanDerWaalsContact O-CG 3.31Å; T571-M574 WeakPolarHBondContact O-CG 3.42Å; T571-M574 PolarHBondContact O-N 3.42Å; T571-R766 VanDerWaalsContact OG1-CZ 3.31Å; T571-R766 PolarHBondContact OG1-NH1 3.32Å; T571-R766 VanDerWaalsContact OG1-NH1 3.1Å; T571-R766 PolarHBondContact OG1-NH2 3.17Å
572V94.3Very high93.8Very high0 Ų015.1 Ų15.10%08%0.084CC..Hα-helixtrans-72-22.1-175.8-54.20000112.2W535 L539 L568 I569 M574 D575 C578 L582W535-V572 HydrophobicContact CB-CB 4.16Å; W535-V572 HydrophobicContact CB-CG1 4.13Å; W535-V572 HydrophobicContact CD2-CB 4.39Å; W535-V572 HydrophobicContact CD2-CG1 3.55Å; W535-V572 HydrophobicContact CE3-CG1 3.51Å; W535-V572 HydrophobicContact CG-CB 4.19Å; W535-V572 HydrophobicContact CG-CG1 3.85Å; W535-V572 HydrophobicContact CZ3-CG1 4.08Å; L539-V572 HydrophobicContact CD1-CB 4.29Å; L539-V572 HydrophobicContact CD1-CG2 4.14Å; L568-V572 HydrophobicContact CD1-CG1 4.01Å; L568-V572 HydrophobicContact CG-CG1 4.41Å; L568-V572 PolarHBondContact O-N 3.07Å; I569-V572 WeakPolarHBondContact O-CG2 3.37Å; I569-V572 PolarHBondContact O-N 3.12Å; V572-M574 PolarHBondContact O-N 3.22Å; V572-D575 PolarHBondContact O-N 3.11Å; V572-C578 HydrophobicContact CB-CB 4.44Å; V572-C578 WeakPolarHBondContact O-CB 2.91Å; V572-L582 HydrophobicContact CG2-CD1 3.67Å
573S93.1Very high93.5Very high0 Ų015.5 Ų15.50%09%0.088CC..THydrogen-bonded Turntrans-73.4-4.3177.1-58.70000113.7I569 T571 D575 M615 H618I569-S573 VanDerWaalsContact O-CB 3.22Å; I569-S573 WeakPolarHBondContact O-CB 3.48Å; I569-S573 PolarHBondContact O-N 3.33Å; I569-S573 PolarHBondContact O-OG 3.04Å; T571-S573 PolarHBondContact O-N 3.33Å; S573-D575 PolarHBondContact O-N 3.17Å; S573-M615 WeakPolarHBondContact OG-CE 3.26Å; S573-H618 PolarHBondContact O-CD2 3.49Å; S573-H618 PolarHBondContact O-NE2 2.91Å
574M88.9Confident93.3Very high64 Ų6424 Ų2432%0.31513%0.125SC..THydrogen-bonded Turntrans-62.8-29.3167.9-66.7178.3177.400111.5T529 T571 V572 Y610 H618T529-M574 HydrophobicContact CG2-CE 4Å; T529-M574 HydrophobicContact CG2-SD 4.06Å; T571-M574 WeakPolarHBondContact O-CB 3.46Å; T571-M574 VanDerWaalsContact O-CG 3.31Å; T571-M574 WeakPolarHBondContact O-CG 3.42Å; T571-M574 PolarHBondContact O-N 3.42Å; V572-M574 PolarHBondContact O-N 3.22Å; M574-Y610 HydrophobicContact CE-CE1 4.41Å; M574-Y610 WeakPolarHBondContact CE-OH 3.35Å; M574-H618 PolarHBondContact O-CE1 3.49Å; M574-H618 VanDerWaalsContact O-CE1 3.28Å; M574-H618 PolarHBondContact O-NE2 3.45Å
575D89Confident93.1Very high56 Ų5625.3 Ų25.330%0.29913%0.134SC..SBendtrans-90.8130.2177.9-63.3-29.9000111.8W535 V572 S573 S577 C578 A579W535-D575 VanDerWaalsContact CD1-OD2 3.28Å; V572-D575 PolarHBondContact O-N 3.11Å; S573-D575 PolarHBondContact O-N 3.17Å; D575-S577 VanDerWaalsContact C-N 3.33Å; D575-S577 PolarHBondContact O-N 3.03Å; D575-C578 HydrophobicContact CB-CB 4.04Å; D575-C578 PolarHBondContact O-N 3.47Å; D575-A579 WeakPolarHBondContact O-CB 3.34Å; D575-A579 PolarHBondContact O-N 3.32Å
576D90Very high92.8Very high85 Ų8526.2 Ų26.246%0.45514%0.144SC..Hα-helixtrans-57.9-41.9-178.3177.364.3000112.5A579 A580 H618D576-A579 PolarHBondContact O-N 3.28Å; D576-A580 WeakPolarHBondContact O-CB 3.4Å; D576-A580 PolarHBondContact O-N 2.87Å; D576-H618 WeakPolarHBondContact OD1-CB 3.39Å; D576-H618 IonicContact OD1-CG 2.81Å; D576-H618 IonicContact OD1-ND1 3.4Å
577S91.9Very high92.6Very high47 Ų4726.2 Ų26.233%0.32914%0.144SC..Hα-helixtrans-70.6-36.2-177.870.30000112.8E536 D575 M581E536-S577 WeakPolarHBondContact OE2-CB 3.31Å; E536-S577 PolarHBondContact OE2-OG 2.75Å; D575-S577 VanDerWaalsContact C-N 3.33Å; D575-S577 PolarHBondContact O-N 3.03Å; S577-M581 WeakPolarHBondContact O-CB 3.43Å; S577-M581 PolarHBondContact O-N 3.23Å
578C93.1Very high92.3Very high0 Ų025.7 Ų25.70%014%0.141CC..Hα-helixtrans-66.4-49172.1-690000111.6W535 E536 L539 V572 D575 A580 M581 L582W535-C578 WeakPolarHBondContact CB-SG 3.33Å; E536-C578 VanDerWaalsContact CA-SG 3.55Å; E536-C578 PolarHBondContact N-SG 2.79Å; L539-C578 HydrophobicContact CD1-CB 4.43Å; V572-C578 HydrophobicContact CB-CB 4.44Å; V572-C578 WeakPolarHBondContact O-CB 2.91Å; D575-C578 HydrophobicContact CB-CB 4.04Å; D575-C578 PolarHBondContact O-N 3.47Å; C578-A580 VanDerWaalsContact C-N 3.29Å; C578-A580 PolarHBondContact O-N 3.28Å; C578-M581 WeakPolarHBondContact O-CB 3.19Å; C578-M581 PolarHBondContact O-N 3.12Å; C578-M581 VanDerWaalsContact O-N 3.08Å; C578-L582 WeakPolarHBondContact O-CG 3.36Å; C578-L582 PolarHBondContact O-N 3.46Å
579A92.4Very high92Very high0 Ų028.4 Ų28.40%016%0.159CC..Hα-helixtrans-56.2-45.8176.900000110.9D575 D576 M581 L582 A583 M615 H618 T621D575-A579 WeakPolarHBondContact O-CB 3.34Å; D575-A579 PolarHBondContact O-N 3.32Å; D576-A579 PolarHBondContact O-N 3.28Å; A579-M581 PolarHBondContact O-N 3.41Å; A579-L582 PolarHBondContact O-N 3.01Å; A579-A583 WeakPolarHBondContact O-CB 3.13Å; A579-A583 PolarHBondContact O-N 2.94Å; A579-M615 HydrophobicContact CB-CG 4.45Å; A579-H618 HydrophobicContact CB-CB 4.42Å; A579-H618 VanDerWaalsContact CB-CD2 3.41Å; A579-H618 WeakPolarHBondContact CB-CD2 3.17Å; A579-T621 VanDerWaalsContact C-CG2 3.47Å; A579-T621 HydrophobicContact CB-CG2 3.88Å; A579-T621 VanDerWaalsContact O-CG2 3.26Å; A579-T621 WeakPolarHBondContact O-CG2 3.49Å
580A91.9Very high91.8Very high14 Ų1429 Ų2912%0.11616%0.164CC..Hα-helixtrans-62.7-38.3175.900000113.1D576 C578 K584 A620D576-A580 WeakPolarHBondContact O-CB 3.4Å; D576-A580 PolarHBondContact O-N 2.87Å; C578-A580 VanDerWaalsContact C-N 3.29Å; C578-A580 PolarHBondContact O-N 3.28Å; A580-K584 VanDerWaalsContact O-CG 3.27Å; A580-K584 WeakPolarHBondContact O-CG 3.41Å; A580-K584 PolarHBondContact O-N 3.36Å; A580-K584 VanDerWaalsContact O-N 3.14Å; A580-A620 HydrophobicContact CB-CB 3.8Å
581M93.8Very high91.7Very high30 Ų3029 Ų2915%0.14816%0.163CC..Hα-helixtrans-65-47.7175.2180-172.8-58.300111.9E536 L539 R540 V545 S577 C578 A579 A583 K584 S585E536-M581 HydrophobicContact CB-CE 4.47Å; E536-M581 HydrophobicContact CG-CE 3.25Å; L539-M581 HydrophobicContact CB-SD 4.35Å; R540-M581 HydrophobicContact CG-CE 3.7Å; R540-M581 HydrophobicContact CG-SD 4.28Å; V545-M581 HydrophobicContact CG2-CG 4.39Å; V545-M581 HydrophobicContact CG2-SD 3.77Å; S577-M581 WeakPolarHBondContact O-CB 3.43Å; S577-M581 PolarHBondContact O-N 3.23Å; C578-M581 WeakPolarHBondContact O-CB 3.19Å; C578-M581 PolarHBondContact O-N 3.12Å; C578-M581 VanDerWaalsContact O-N 3.08Å; A579-M581 PolarHBondContact O-N 3.41Å; M581-A583 PolarHBondContact O-N 3.46Å; M581-K584 PolarHBondContact O-N 3.25Å; M581-S585 PolarHBondContact O-N 3.28Å; M581-S585 VanDerWaalsContact O-N 3.08Å
582L94.1Very high91.5Very high0 Ų029.3 Ų29.30%017%0.165CC..Hα-helixtrans-62.4-43.8-180-68.3171.8000110.9V545 I569 V572 C578 A579 K584 S585 G586 I587 M615V545-L582 HydrophobicContact CG1-CD2 4.25Å; V545-L582 HydrophobicContact CG2-CD2 4.16Å; I569-L582 HydrophobicContact CG2-CD1 4.16Å; V572-L582 HydrophobicContact CG2-CD1 3.67Å; C578-L582 WeakPolarHBondContact O-CG 3.36Å; C578-L582 PolarHBondContact O-N 3.46Å; A579-L582 PolarHBondContact O-N 3.01Å; L582-K584 PolarHBondContact O-N 2.91Å; L582-S585 WeakPolarHBondContact O-CB 3.33Å; L582-S585 PolarHBondContact O-N 3.08Å; L582-S585 VanDerWaalsContact O-N 3.12Å; L582-S585 PolarHBondContact O-OG 2.94Å; L582-G586 PolarHBondContact O-N 3.27Å; L582-I587 HydrophobicContact CB-CB 4.16Å; L582-I587 HydrophobicContact CB-CG1 4.1Å; L582-I587 HydrophobicContact CB-CG2 4.43Å; L582-I587 HydrophobicContact CD2-CD1 3.88Å; L582-I587 HydrophobicContact CD2-CG1 3.92Å; L582-I587 WeakPolarHBondContact O-CB 3.35Å; L582-I587 PolarHBondContact O-N 3.35Å; L582-M615 HydrophobicContact CB-CE 4.19Å; L582-M615 HydrophobicContact CD1-CE 4.14Å
583A90Very high91.4Very high9 Ų934 Ų347%0.07419%0.19CC..Hα-helixtrans-61.1-46.417700000112.3A579 M581 S585 G586 I588 T621 I624A579-A583 WeakPolarHBondContact O-CB 3.13Å; A579-A583 PolarHBondContact O-N 2.94Å; M581-A583 PolarHBondContact O-N 3.46Å; A583-S585 PolarHBondContact O-N 3Å; A583-G586 PolarHBondContact O-N 3.36Å; A583-I588 HydrophobicContact CB-CD1 3.57Å; A583-I588 HydrophobicContact CB-CG1 4.37Å; A583-T621 HydrophobicContact CB-CG2 3.59Å; A583-I624 HydrophobicContact CB-CD1 3.71Å
584K90.6Very high91.4Very high180 Ų18034 Ų3478%0.78319%0.19SC*.Hα-helixtrans-60.7-28.2175-73.5170.7-174.61710113.4A580 M581 L582 G586A580-K584 VanDerWaalsContact O-CG 3.27Å; A580-K584 WeakPolarHBondContact O-CG 3.41Å; A580-K584 PolarHBondContact O-N 3.36Å; A580-K584 VanDerWaalsContact O-N 3.14Å; M581-K584 PolarHBondContact O-N 3.25Å; L582-K584 PolarHBondContact O-N 2.91Å; K584-G586 VanDerWaalsContact C-N 3.25Å; K584-G586 PolarHBondContact O-N 2.87Å
585S91.4Very high91.5Very high32 Ų3231.1 Ų31.122%0.22418%0.176CC..THydrogen-bonded Turntrans-78.3-9.4177.581.30000113.4V545 K549 M581 L582 A583 I587V545-S585 VanDerWaalsContact CG1-CB 3.43Å; V545-S585 VanDerWaalsContact CG1-OG 3.26Å; V545-S585 WeakPolarHBondContact CG1-OG 3.36Å; K549-S585 WeakPolarHBondContact CD-O 3.46Å; K549-S585 WeakPolarHBondContact CE-O 3.43Å; K549-S585 PolarHBondContact NZ-O 2.63Å; M581-S585 PolarHBondContact O-N 3.28Å; M581-S585 VanDerWaalsContact O-N 3.08Å; L582-S585 WeakPolarHBondContact O-CB 3.33Å; L582-S585 PolarHBondContact O-N 3.08Å; L582-S585 VanDerWaalsContact O-N 3.12Å; L582-S585 PolarHBondContact O-OG 2.94Å; A583-S585 PolarHBondContact O-N 3Å; S585-I587 VanDerWaalsContact OG-CG1 3.25Å; S585-I587 WeakPolarHBondContact OG-CG1 3.34Å
586G90.6Very high91.5Very high19 Ų1931.6 Ų31.620%0.19618%0.178CC..THydrogen-bonded Turntrans79.932.6-176.500000113.7K549 L582 A583 K584K549-G586 WeakPolarHBondContact CE-O 3.46Å; L582-G586 PolarHBondContact O-N 3.27Å; A583-G586 PolarHBondContact O-N 3.36Å; K584-G586 VanDerWaalsContact C-N 3.25Å; K584-G586 PolarHBondContact O-N 2.87Å
587I93.4Very high91.5Very high0 Ų030 Ų300%018%0.178CC..Hα-helixtrans-68.7-39.6170.8-72.2-106.2000110.7L548 K549 L552 I569 L582 S585 A590 L591L548-I587 HydrophobicContact CB-CD1 4.16Å; K549-I587 HydrophobicContact CB-CD1 4.2Å; L552-I587 HydrophobicContact CD1-CD1 4.03Å; L552-I587 HydrophobicContact CD1-CG2 4.1Å; I569-I587 HydrophobicContact CD1-CD1 3.95Å; I569-I587 HydrophobicContact CD1-CG2 4.34Å; I569-I587 HydrophobicContact CG2-CG2 4.26Å; L582-I587 HydrophobicContact CB-CB 4.16Å; L582-I587 HydrophobicContact CB-CG1 4.1Å; L582-I587 HydrophobicContact CB-CG2 4.43Å; L582-I587 HydrophobicContact CD2-CD1 3.88Å; L582-I587 HydrophobicContact CD2-CG1 3.92Å; L582-I587 WeakPolarHBondContact O-CB 3.35Å; L582-I587 PolarHBondContact O-N 3.35Å; S585-I587 VanDerWaalsContact OG-CG1 3.25Å; S585-I587 WeakPolarHBondContact OG-CG1 3.34Å; I587-A590 WeakPolarHBondContact O-CB 3.16Å; I587-A590 PolarHBondContact O-N 2.95Å; I587-A590 VanDerWaalsContact O-N 3.07Å; I587-L591 HydrophobicContact CG2-CD1 3.65Å; I587-L591 HydrophobicContact CG2-CG 3.97Å; I587-L591 WeakPolarHBondContact O-CG 3.22Å; I587-L591 PolarHBondContact O-N 3.12Å
588I89.9Confident91.5Very high0 Ų029.6 Ų29.60%017%0.17CC..Hα-helixtrans-55.9-52.6-177.2-70.9169.2000112.2A583 A590 L591 I592 F612 M615 I624 I625 T629A583-I588 HydrophobicContact CB-CD1 3.57Å; A583-I588 HydrophobicContact CB-CG1 4.37Å; I588-A590 VanDerWaalsContact C-N 3.3Å; I588-A590 PolarHBondContact O-N 3.36Å; I588-L591 PolarHBondContact O-N 2.8Å; I588-I592 PolarHBondContact O-N 3.14Å; I588-F612 HydrophobicContact CG2-CE1 4.13Å; I588-M615 HydrophobicContact CD1-SD 4.16Å; I588-M615 HydrophobicContact CG1-SD 3.85Å; I588-I624 HydrophobicContact CD1-CB 4.18Å; I588-I624 HydrophobicContact CD1-CG2 3.82Å; I588-I624 HydrophobicContact CG2-CG2 4.44Å; I588-I625 HydrophobicContact CD1-CG1 4.12Å; I588-T629 HydrophobicContact CG2-CG2 4.1Å
589P89.3Confident91.3Very high58 Ų5834.3 Ų34.338%0.37719%0.192SC..Hα-helixtrans-59.7-38.6174.7-25.334.5000113.4L591 I592 D593 T629P589-L591 VanDerWaalsContact C-N 3.3Å; P589-L591 PolarHBondContact O-N 3.37Å; P589-I592 PolarHBondContact O-N 2.91Å; P589-D593 PolarHBondContact O-N 3.5Å; P589-T629 HydrophobicContact CG-CG2 4.3Å
590A92.9Very high91.1Very high13 Ų1343.6 Ų43.611%0.10724%0.236CC..Hα-helixtrans-65.6-33.317900000112.4L552 I587 I588 L594L552-A590 HydrophobicContact CB-CB 4.08Å; L552-A590 HydrophobicContact CD1-CB 3.97Å; I587-A590 WeakPolarHBondContact O-CB 3.16Å; I587-A590 PolarHBondContact O-N 2.95Å; I587-A590 VanDerWaalsContact O-N 3.07Å; I588-A590 VanDerWaalsContact C-N 3.3Å; I588-A590 PolarHBondContact O-N 3.36Å; A590-L594 WeakPolarHBondContact O-CB 3.27Å; A590-L594 PolarHBondContact O-N 3.46Å
591L92.9Very high91.1Very high0 Ų045.1 Ų45.10%024%0.242CC..Hα-helixtrans-68.4-37.4173.3-71.4169.8000112.1L552 I569 I587 I588 P589 L594 L595 I608 I611 F612L552-L591 HydrophobicContact CD1-CD2 3.82Å; L552-L591 HydrophobicContact CD1-CG 3.97Å; L552-L591 HydrophobicContact CD2-CD2 3.78Å; L552-L591 HydrophobicContact CG-CD2 4.46Å; I569-L591 HydrophobicContact CG2-CD1 4.47Å; I587-L591 HydrophobicContact CG2-CD1 3.65Å; I587-L591 HydrophobicContact CG2-CG 3.97Å; I587-L591 WeakPolarHBondContact O-CG 3.22Å; I587-L591 PolarHBondContact O-N 3.12Å; I588-L591 PolarHBondContact O-N 2.8Å; P589-L591 VanDerWaalsContact C-N 3.3Å; P589-L591 PolarHBondContact O-N 3.37Å; L591-L594 PolarHBondContact O-N 3.08Å; L591-L595 VanDerWaalsContact O-CB 3.25Å; L591-L595 WeakPolarHBondContact O-CB 3.46Å; L591-L595 PolarHBondContact O-N 3.44Å; L591-I608 HydrophobicContact CB-CG2 4.32Å; L591-I608 HydrophobicContact CD2-CG1 4.45Å; L591-I611 HydrophobicContact CD1-CB 4.37Å; L591-I611 HydrophobicContact CD1-CD1 4.05Å; L591-I611 HydrophobicContact CD1-CG2 3.69Å; L591-I611 HydrophobicContact CD2-CD1 3.66Å; L591-F612 HydrophobicContact CB-CE2 4.26Å; L591-F612 HydrophobicContact CB-CZ 4.1Å
592I88.8Confident90.9Very high9 Ų947.2 Ų47.25%0.04625%0.254CS..Hα-helixtrans-66.5-45.1174.9-62.3175.8000110.3I588 P589 L594 L595 N596 F612 T629 A633I588-I592 PolarHBondContact O-N 3.14Å; P589-I592 PolarHBondContact O-N 2.91Å; I592-L594 VanDerWaalsContact C-N 3.27Å; I592-L594 PolarHBondContact O-N 3.47Å; I592-L595 PolarHBondContact O-N 3.12Å; I592-N596 WeakPolarHBondContact O-CB 3.42Å; I592-N596 PolarHBondContact O-N 3.19Å; I592-N596 PolarHBondContact O-ND2 3.3Å; I592-F612 HydrophobicContact CG1-CZ 3.76Å; I592-T629 HydrophobicContact CD1-CG2 3.44Å; I592-T629 VanDerWaalsContact CD1-CG2 3.44Å; I592-A633 HydrophobicContact CD1-CB 3.82Å; I592-A633 HydrophobicContact CG1-CB 4.26Å
593D90.7Very high90.7Very high99 Ų9948.3 Ų48.353%0.52926%0.259SS..Hα-helixtrans-57.8-42.9176-69.6-22.5000111.1P589 A597P589-D593 PolarHBondContact O-N 3.5Å; D593-A597 PolarHBondContact O-N 3.3Å; D593-A597 VanDerWaalsContact O-N 3.11Å
594L93.4Very high90.9Very high0 Ų048 Ų480%026%0.256CS..Hα-helixtrans-67.7-43.9176.8-175.662.2000112.1L552 P554 I562 V566 A590 L591 I592 N596 A597 Q598 F604 I608L552-L594 HydrophobicContact CD2-CD2 3.77Å; P554-L594 HydrophobicContact CG-CD1 4.39Å; I562-L594 HydrophobicContact CG2-CD1 4.15Å; I562-L594 HydrophobicContact CG2-CD2 3.71Å; V566-L594 HydrophobicContact CG2-CD2 3.75Å; A590-L594 WeakPolarHBondContact O-CB 3.27Å; A590-L594 PolarHBondContact O-N 3.46Å; L591-L594 PolarHBondContact O-N 3.08Å; I592-L594 VanDerWaalsContact C-N 3.27Å; I592-L594 PolarHBondContact O-N 3.47Å; L594-N596 VanDerWaalsContact C-N 3.28Å; L594-N596 PolarHBondContact O-N 3.35Å; L594-A597 PolarHBondContact O-N 2.66Å; L594-A597 VanDerWaalsContact O-N 3.07Å; L594-Q598 HydrophobicContact CD1-CG 3.93Å; L594-Q598 PolarHBondContact O-N 2.74Å; L594-F604 HydrophobicContact CD2-CD1 4.39Å; L594-F604 HydrophobicContact CD2-CE1 4.41Å; L594-I608 HydrophobicContact CB-CD1 4.31Å; L594-I608 HydrophobicContact CD2-CD1 4.02Å; L594-I608 HydrophobicContact CG-CD1 3.99Å
595L90.7Very high90.9Very high3 Ų339.6 Ų39.62%0.01622%0.22CC..Hα-helixtrans-58.3-43.3176.8-17558.7000111.1L591 I592 A597 Q598 Q599 V605 I608 F612 Y636 F637L591-L595 VanDerWaalsContact O-CB 3.25Å; L591-L595 WeakPolarHBondContact O-CB 3.46Å; L591-L595 PolarHBondContact O-N 3.44Å; I592-L595 PolarHBondContact O-N 3.12Å; L595-A597 VanDerWaalsContact C-N 3.29Å; L595-A597 PolarHBondContact O-N 3.22Å; L595-Q598 CarbonylContact O-C 3.56Å; L595-Q598 PolarHBondContact O-N 3.37Å; L595-Q599 WeakPolarHBondContact O-CG 3.4Å; L595-Q599 PolarHBondContact O-N 3.2Å; L595-V605 HydrophobicContact CD1-CB 4.27Å; L595-V605 HydrophobicContact CD1-CG1 4.28Å; L595-V605 HydrophobicContact CD1-CG2 4.01Å; L595-I608 HydrophobicContact CB-CD1 4.11Å; L595-I608 HydrophobicContact CB-CG2 4.15Å; L595-I608 HydrophobicContact CD1-CB 4.23Å; L595-I608 HydrophobicContact CD1-CD1 4.23Å; L595-I608 HydrophobicContact CD1-CG2 4.19Å; L595-I608 HydrophobicContact CD2-CG2 4.15Å; L595-I608 HydrophobicContact CG-CG2 4.42Å; L595-F612 HydrophobicContact CD2-CE2 4.5Å; L595-Y636 HydrophobicContact CD1-CE1 3.75Å; L595-Y636 HydrophobicContact CD2-CD1 3.48Å; L595-Y636 VanDerWaalsContact CD2-CD1 3.48Å; L595-Y636 HydrophobicContact CD2-CE1 3.39Å; L595-Y636 HydrophobicContact CD2-CG 4.5Å; L595-Y636 HydrophobicContact CG-CD1 4.03Å; L595-Y636 HydrophobicContact CG-CE1 3.45Å; L595-Y636 VanDerWaalsContact CG-CE1 3.45Å; L595-F637 HydrophobicContact CD2-CE1 4.39Å
596N89Confident90.9Very high65 Ų6538.3 Ų38.335%0.34821%0.21SC..Hα-helixtrans-67.2-29176.3-75.1-27.8000113.5I592 L594 Q599I592-N596 WeakPolarHBondContact O-CB 3.42Å; I592-N596 PolarHBondContact O-N 3.19Å; I592-N596 PolarHBondContact O-ND2 3.3Å; L594-N596 VanDerWaalsContact C-N 3.28Å; L594-N596 PolarHBondContact O-N 3.35Å; N596-Q599 WeakPolarHBondContact O-CG 3.41Å; N596-Q599 PolarHBondContact OD1-NE2 3.36Å; N596-Q599 VanDerWaalsContact OD1-NE2 3.1Å
597A91.4Very high90.9Very high53 Ų5337.5 Ų37.544%0.43820%0.201SC..Hα-helixtrans-79.6-33.2176.100000112.8P554 D593 L594 L595P554-A597 HydrophobicContact CB-CB 3.87Å; P554-A597 HydrophobicContact CG-CB 3.5Å; P554-A597 VanDerWaalsContact CG-CB 3.5Å; D593-A597 PolarHBondContact O-N 3.3Å; D593-A597 VanDerWaalsContact O-N 3.11Å; L594-A597 PolarHBondContact O-N 2.66Å; L594-A597 VanDerWaalsContact O-N 3.07Å; L595-A597 VanDerWaalsContact C-N 3.29Å; L595-A597 PolarHBondContact O-N 3.22Å
598Q91.2Very high90.9Very high38 Ų3837.5 Ų37.518%0.17820%0.201CC..SBendtrans-109.732.5-173.9-62-68.316.100113D559 L594 L595 E600 D601 F604D559-Q598 PolarHBondContact OD1-NE2 3.08Å; D559-Q598 VanDerWaalsContact OD1-NE2 3.08Å; L594-Q598 HydrophobicContact CD1-CG 3.93Å; L594-Q598 PolarHBondContact O-N 2.74Å; L595-Q598 CarbonylContact O-C 3.56Å; L595-Q598 PolarHBondContact O-N 3.37Å; Q598-E600 PolarHBondContact O-N 2.9Å; Q598-E600 VanDerWaalsContact O-N 3.16Å; Q598-D601 PolarHBondContact O-N 3.48Å; Q598-D601 VanDerWaalsContact O-N 3.12Å; Q598-F604 HydrophobicContact CB-CB 3.83Å; Q598-F604 HydrophobicContact CB-CD2 4.22Å; Q598-F604 HydrophobicContact CB-CG 3.98Å; Q598-F604 HydrophobicContact CG-CB 4.49Å; Q598-F604 HydrophobicContact CG-CD1 4.41Å; Q598-F604 HydrophobicContact CG-CD2 4.17Å; Q598-F604 HydrophobicContact CG-CG 4.11Å
599Q88.1Confident90.9Very high98 Ų9837.5 Ų37.546%0.45820%0.201SC..THydrogen-bonded Turntrans-64.2-18.9-177.4-61.7-175.1-5.900113.9L595 N596 Y636L595-Q599 WeakPolarHBondContact O-CG 3.4Å; L595-Q599 PolarHBondContact O-N 3.2Å; N596-Q599 WeakPolarHBondContact O-CG 3.41Å; N596-Q599 PolarHBondContact OD1-NE2 3.36Å; N596-Q599 VanDerWaalsContact OD1-NE2 3.1Å; Q599-Y636 HydrophobicContact CG-CE2 4.1Å; Q599-Y636 WeakPolarHBondContact CG-OH 3.44Å
600E89.4Confident91Very high196 Ų19635 Ų3592%0.91619%0.185SC*.THydrogen-bonded Turntrans-89.4-8.3178.8-60.5-173.7171.400113.1Q598Q598-E600 PolarHBondContact O-N 2.9Å; Q598-E600 VanDerWaalsContact O-N 3.16Å
601D91.4Very high91Very high46 Ų4634.4 Ų34.425%0.24618%0.18CC..  trans-104.4102178.5-169.8-42.1000110.6Q598 E603 F604 V605Q598-D601 PolarHBondContact O-N 3.48Å; Q598-D601 VanDerWaalsContact O-N 3.12Å; D601-E603 PolarHBondContact O-N 3.42Å; D601-E603 VanDerWaalsContact O-N 3.12Å; D601-E603 WeakPolarHBondContact OD1-CB 3.46Å; D601-E603 PolarHBondContact OD1-N 3.05Å; D601-F604 HydrophobicContact CB-CB 4.27Å; D601-F604 HydrophobicContact CB-CD2 3.9Å; D601-F604 PolarHBondContact O-N 3.14Å; D601-F604 PolarHBondContact OD1-N 3.13Å; D601-V605 WeakPolarHBondContact O-CG2 3.49Å; D601-V605 PolarHBondContact O-N 3.03Å
602D89.9Confident90.9Very high74 Ų7434.4 Ų34.440%0.39618%0.18SC..Hα-helixtrans-51.3-34.6179.5-83.417.2000113.3C606 N645 I648D602-C606 WeakPolarHBondContact O-CB 3.5Å; D602-C606 PolarHBondContact O-N 2.97Å; D602-N645 PolarHBondContact OD2-ND2 2.66Å; D602-I648 HydrophobicContact CB-CD1 4.13Å
603E90.6Very high90.9Very high23 Ų2334.3 Ų34.311%0.10718%0.179CC..Hα-helixtrans-73.8-45.7-177.1-179.265-156.700110.6L563 D601 V605 C606 Q607 S769L563-E603 HydrophobicContact CD1-CG 3.97Å; L563-E603 HydrophobicContact CD2-CG 3.72Å; L563-E603 HydrophobicContact CG-CG 4.49Å; D601-E603 PolarHBondContact O-N 3.42Å; D601-E603 VanDerWaalsContact O-N 3.12Å; D601-E603 WeakPolarHBondContact OD1-CB 3.46Å; D601-E603 PolarHBondContact OD1-N 3.05Å; E603-V605 VanDerWaalsContact C-N 3.32Å; E603-V605 PolarHBondContact O-N 3.33Å; E603-C606 PolarHBondContact O-N 2.72Å; E603-Q607 HydrophobicContact CG-CG 4.44Å; E603-Q607 WeakPolarHBondContact O-CB 3.23Å; E603-Q607 WeakPolarHBondContact O-CG 3.35Å; E603-Q607 PolarHBondContact O-N 3.34Å; E603-Q607 VanDerWaalsContact OE1-CG 3.23Å; E603-Q607 WeakPolarHBondContact OE1-CG 3.36Å; E603-Q607 PolarHBondContact OE1-NE2 3.15Å; E603-S769 VanDerWaalsContact CD-OG 3.32Å; E603-S769 VanDerWaalsContact OE1-CA 3.25Å; E603-S769 WeakPolarHBondContact OE1-CA 3.37Å; E603-S769 WeakPolarHBondContact OE1-CB 3.38Å; E603-S769 PolarHBondContact OE1-OG 3.07Å
604F92.7Very high90.9Very high3 Ų330.5 Ų30.51%0.01316%0.158CC..Hα-helixtrans-58.5-46.8172.6-86.9-76.2000111.1D559 I562 L563 L594 Q598 D601 C606 Q607 I608D559-F604 HydrophobicContact CB-CE2 3.91Å; D559-F604 HydrophobicContact CB-CZ 4.01Å; D559-F604 WeakPolarHBondContact O-CZ 3.27Å; I562-F604 HydrophobicContact CB-CE1 4.13Å; I562-F604 HydrophobicContact CB-CZ 4.17Å; I562-F604 HydrophobicContact CG2-CE1 3.79Å; I562-F604 HydrophobicContact CG2-CZ 4.28Å; L563-F604 HydrophobicContact CB-CE1 4.06Å; L563-F604 HydrophobicContact CB-CZ 3.92Å; L563-F604 HydrophobicContact CD1-CD1 4.2Å; L563-F604 HydrophobicContact CD1-CE1 4.25Å; L563-F604 HydrophobicContact CD1-CG 4.48Å; L594-F604 HydrophobicContact CD2-CD1 4.39Å; L594-F604 HydrophobicContact CD2-CE1 4.41Å; Q598-F604 HydrophobicContact CB-CB 3.83Å; Q598-F604 HydrophobicContact CB-CD2 4.22Å; Q598-F604 HydrophobicContact CB-CG 3.98Å; Q598-F604 HydrophobicContact CG-CB 4.49Å; Q598-F604 HydrophobicContact CG-CD1 4.41Å; Q598-F604 HydrophobicContact CG-CD2 4.17Å; Q598-F604 HydrophobicContact CG-CG 4.11Å; D601-F604 HydrophobicContact CB-CB 4.27Å; D601-F604 HydrophobicContact CB-CD2 3.9Å; D601-F604 PolarHBondContact O-N 3.14Å; D601-F604 PolarHBondContact OD1-N 3.13Å; F604-C606 VanDerWaalsContact C-N 3.35Å; F604-C606 PolarHBondContact O-N 3.34Å; F604-Q607 PolarHBondContact O-N 3.32Å; F604-I608 VanDerWaalsContact O-CB 3.29Å; F604-I608 WeakPolarHBondContact O-CB 3.25Å; F604-I608 WeakPolarHBondContact O-CD1 3.36Å; F604-I608 WeakPolarHBondContact O-CG1 3.4Å; F604-I608 PolarHBondContact O-N 3.48Å
605V91.5Very high90.8Very high3 Ų330.5 Ų30.52%0.01816%0.158CC..Hα-helixtrans-58.4-49.2178175.30000110.1L595 D601 E603 I608 L609 L640 I648L595-V605 HydrophobicContact CD1-CB 4.27Å; L595-V605 HydrophobicContact CD1-CG1 4.28Å; L595-V605 HydrophobicContact CD1-CG2 4.01Å; D601-V605 WeakPolarHBondContact O-CG2 3.49Å; D601-V605 PolarHBondContact O-N 3.03Å; E603-V605 VanDerWaalsContact C-N 3.32Å; E603-V605 PolarHBondContact O-N 3.33Å; V605-I608 PolarHBondContact O-N 3.37Å; V605-L609 HydrophobicContact CG1-CD1 4.05Å; V605-L609 HydrophobicContact CG1-CG 4.36Å; V605-L609 WeakPolarHBondContact O-CB 3.33Å; V605-L609 WeakPolarHBondContact O-CG 3.5Å; V605-L609 PolarHBondContact O-N 3.43Å; V605-L640 HydrophobicContact CG1-CD1 3.46Å; V605-L640 VanDerWaalsContact CG1-CD1 3.46Å; V605-I648 HydrophobicContact CB-CD1 4.03Å; V605-I648 HydrophobicContact CG1-CD1 3.8Å; V605-I648 HydrophobicContact CG1-CG1 4.33Å; V605-I648 HydrophobicContact CG1-CG2 4.15Å
606C90.2Very high90.6Very high4 Ų430.4 Ų30.43%0.02716%0.157CC..Hα-helixtrans-63.7-45.6-177.8-162.30000112.6D602 E603 F604 L609 Y610 I648 P767D602-C606 WeakPolarHBondContact O-CB 3.5Å; D602-C606 PolarHBondContact O-N 2.97Å; E603-C606 PolarHBondContact O-N 2.72Å; F604-C606 VanDerWaalsContact C-N 3.35Å; F604-C606 PolarHBondContact O-N 3.34Å; C606-L609 PolarHBondContact O-N 3.06Å; C606-Y610 WeakPolarHBondContact O-CB 3.4Å; C606-Y610 PolarHBondContact O-N 3.44Å; C606-I648 HydrophobicContact CB-CG1 3.9Å; C606-P767 VanDerWaalsContact SG-CB 3.53Å
607Q92.6Very high90.6Very high2 Ų231.5 Ų31.51%0.00916%0.159CC..Hα-helixtrans-70.2-38.7-179.7-63.7-59.9-23.900112.1L563 V566 I567 E603 F604 Y610 I611 P767L563-Q607 HydrophobicContact CD1-CB 4.34Å; L563-Q607 HydrophobicContact CD1-CG 4.02Å; V566-Q607 HydrophobicContact CG1-CB 3.69Å; I567-Q607 HydrophobicContact CG1-CG 4.06Å; E603-Q607 HydrophobicContact CG-CG 4.44Å; E603-Q607 WeakPolarHBondContact O-CB 3.23Å; E603-Q607 WeakPolarHBondContact O-CG 3.35Å; E603-Q607 PolarHBondContact O-N 3.34Å; E603-Q607 VanDerWaalsContact OE1-CG 3.23Å; E603-Q607 WeakPolarHBondContact OE1-CG 3.36Å; E603-Q607 PolarHBondContact OE1-NE2 3.15Å; F604-Q607 PolarHBondContact O-N 3.32Å; Q607-Y610 WeakPolarHBondContact O-CB 3.44Å; Q607-Y610 PolarHBondContact O-N 3.37Å; Q607-I611 WeakPolarHBondContact O-CG1 3.31Å; Q607-I611 PolarHBondContact O-N 3.28Å; Q607-P767 PolarHBondContact NE2-O 3.28Å; Q607-P767 VanDerWaalsContact NE2-O 3.12Å
608I92.9Very high90.4Very high0 Ų030.2 Ų30.20%014%0.144CC..Hα-helixtrans-66-43.7175.7-66.8168.5000110.6V566 L591 L594 L595 F604 V605 Y610 I611 F612V566-I608 HydrophobicContact CG1-CG1 3.75Å; V566-I608 HydrophobicContact CG2-CG1 4.35Å; L591-I608 HydrophobicContact CB-CG2 4.32Å; L591-I608 HydrophobicContact CD2-CG1 4.45Å; L594-I608 HydrophobicContact CB-CD1 4.31Å; L594-I608 HydrophobicContact CD2-CD1 4.02Å; L594-I608 HydrophobicContact CG-CD1 3.99Å; L595-I608 HydrophobicContact CB-CD1 4.11Å; L595-I608 HydrophobicContact CB-CG2 4.15Å; L595-I608 HydrophobicContact CD1-CB 4.23Å; L595-I608 HydrophobicContact CD1-CD1 4.23Å; L595-I608 HydrophobicContact CD1-CG2 4.19Å; L595-I608 HydrophobicContact CD2-CG2 4.15Å; L595-I608 HydrophobicContact CG-CG2 4.42Å; F604-I608 VanDerWaalsContact O-CB 3.29Å; F604-I608 WeakPolarHBondContact O-CB 3.25Å; F604-I608 WeakPolarHBondContact O-CD1 3.36Å; F604-I608 WeakPolarHBondContact O-CG1 3.4Å; F604-I608 PolarHBondContact O-N 3.48Å; V605-I608 PolarHBondContact O-N 3.37Å; I608-Y610 PolarHBondContact O-N 2.84Å; I608-I611 WeakPolarHBondContact O-CB 3.2Å; I608-I611 PolarHBondContact O-N 3.2Å; I608-F612 HydrophobicContact CG2-CD2 3.81Å; I608-F612 HydrophobicContact CG2-CE2 3.5Å; I608-F612 VanDerWaalsContact O-CD2 3.22Å; I608-F612 WeakPolarHBondContact O-CD2 3.18Å; I608-F612 PolarHBondContact O-N 3.48Å; I608-F612 VanDerWaalsContact O-N 3.1Å
609L90.2Very high90Very high0 Ų035.5 Ų35.50%017%0.167CC..Hα-helixtrans-58.1-39.7172.5-75.4179.9000111.8V605 C606 I611 F612 Y613 F637 L640 I648 V651 C652V605-L609 HydrophobicContact CG1-CD1 4.05Å; V605-L609 HydrophobicContact CG1-CG 4.36Å; V605-L609 WeakPolarHBondContact O-CB 3.33Å; V605-L609 WeakPolarHBondContact O-CG 3.5Å; V605-L609 PolarHBondContact O-N 3.43Å; C606-L609 PolarHBondContact O-N 3.06Å; L609-I611 VanDerWaalsContact C-N 3.3Å; L609-I611 PolarHBondContact O-N 3.01Å; L609-F612 PolarHBondContact O-N 2.98Å; L609-F612 VanDerWaalsContact O-N 3.16Å; L609-Y613 WeakPolarHBondContact O-CB 3.28Å; L609-Y613 PolarHBondContact O-N 3.2Å; L609-F637 HydrophobicContact CD2-CD1 3.23Å; L609-F637 HydrophobicContact CD2-CE1 3.26Å; L609-F637 HydrophobicContact CD2-CG 4.11Å; L609-F637 HydrophobicContact CD2-CZ 4.13Å; L609-L640 HydrophobicContact CD1-CD1 3.85Å; L609-L640 HydrophobicContact CD2-CD1 4.25Å; L609-L640 HydrophobicContact CG-CD1 4.33Å; L609-I648 HydrophobicContact CD1-CB 4.48Å; L609-I648 HydrophobicContact CD1-CG2 3.69Å; L609-V651 HydrophobicContact CB-CG1 3.95Å; L609-C652 HydrophobicContact CD1-CB 4.18Å
610Y90.9Very high89.8Confident7 Ų733.1 Ų33.13%0.02716%0.164CC..Hα-helixtrans-62.6-36.6175.6-177.8-100.4000112.2M574 C606 Q607 I608 Y613 Q614 R766 P767M574-Y610 HydrophobicContact CE-CE1 4.41Å; M574-Y610 WeakPolarHBondContact CE-OH 3.35Å; C606-Y610 WeakPolarHBondContact O-CB 3.4Å; C606-Y610 PolarHBondContact O-N 3.44Å; Q607-Y610 WeakPolarHBondContact O-CB 3.44Å; Q607-Y610 PolarHBondContact O-N 3.37Å; I608-Y610 PolarHBondContact O-N 2.84Å; Y610-Y613 HydrophobicContact CD2-CD1 4.18Å; Y610-Y613 HydrophobicContact CE2-CD1 4.18Å; Y610-Y613 WeakPolarHBondContact O-CB 3.48Å; Y610-Y613 PolarHBondContact O-N 3.49Å; Y610-Q614 HydrophobicContact CD1-CG 4.29Å; Y610-Q614 HydrophobicContact CE1-CG 3.89Å; Y610-Q614 WeakPolarHBondContact O-CG 3.44Å; Y610-Q614 PolarHBondContact O-N 3.31Å; Y610-Q614 PolarHBondContact OH-NE2 2.87Å; Y610-R766 HydrophobicContact CD1-CG 4.26Å; Y610-R766 HydrophobicContact CE1-CB 4.15Å; Y610-R766 HydrophobicContact CE1-CG 3.95Å; Y610-R766 HydrophobicContact CE2-CB 4.14Å; Y610-R766 HydrophobicContact CE2-CG 4.5Å; Y610-P767 HydrophobicContact CG-CG 4.46Å
611I92.9Very high89.6Confident0 Ų023.8 Ų23.80%012%0.12CC..Hα-helixtrans-60.9-47.6171.8-61.3166.2000110.5V566 I569 L591 Q607 I608 L609 Y613 Q614 M615V566-I611 HydrophobicContact CB-CD1 4.38Å; V566-I611 HydrophobicContact CG1-CD1 3.56Å; V566-I611 WeakPolarHBondContact O-CD1 3.35Å; I569-I611 HydrophobicContact CB-CD1 4.03Å; I569-I611 HydrophobicContact CG2-CD1 3.76Å; I569-I611 HydrophobicContact CG2-CG1 4.16Å; I569-I611 HydrophobicContact CG2-CG2 3.83Å; L591-I611 HydrophobicContact CD1-CB 4.37Å; L591-I611 HydrophobicContact CD1-CD1 4.05Å; L591-I611 HydrophobicContact CD1-CG2 3.69Å; L591-I611 HydrophobicContact CD2-CD1 3.66Å; Q607-I611 WeakPolarHBondContact O-CG1 3.31Å; Q607-I611 PolarHBondContact O-N 3.28Å; I608-I611 WeakPolarHBondContact O-CB 3.2Å; I608-I611 PolarHBondContact O-N 3.2Å; L609-I611 VanDerWaalsContact C-N 3.3Å; L609-I611 PolarHBondContact O-N 3.01Å; I611-Y613 VanDerWaalsContact C-N 3.32Å; I611-Y613 PolarHBondContact O-N 3.32Å; I611-Q614 PolarHBondContact O-N 3.35Å; I611-M615 HydrophobicContact CG2-CE 3.69Å; I611-M615 HydrophobicContact CG2-CG 4.18Å; I611-M615 HydrophobicContact CG2-SD 3.99Å; I611-M615 WeakPolarHBondContact O-CB 3.43Å; I611-M615 WeakPolarHBondContact O-CG 3.26Å; I611-M615 PolarHBondContact O-N 3.45Å
612F91.1Very high89.3Confident0 Ų022.9 Ų22.90%011%0.113CC..Hα-helixtrans-63-39.1179.1-76.3-69.7000112.4I588 L591 I592 L595 I608 L609 M615 A616 I625 F637 T655I588-F612 HydrophobicContact CG2-CE1 4.13Å; L591-F612 HydrophobicContact CB-CE2 4.26Å; L591-F612 HydrophobicContact CB-CZ 4.1Å; I592-F612 HydrophobicContact CG1-CZ 3.76Å; L595-F612 HydrophobicContact CD2-CE2 4.5Å; I608-F612 HydrophobicContact CG2-CD2 3.81Å; I608-F612 HydrophobicContact CG2-CE2 3.5Å; I608-F612 VanDerWaalsContact O-CD2 3.22Å; I608-F612 WeakPolarHBondContact O-CD2 3.18Å; I608-F612 PolarHBondContact O-N 3.48Å; I608-F612 VanDerWaalsContact O-N 3.1Å; L609-F612 PolarHBondContact O-N 2.98Å; L609-F612 VanDerWaalsContact O-N 3.16Å; F612-M615 PolarHBondContact O-N 3.41Å; F612-A616 VanDerWaalsContact O-CB 3.31Å; F612-A616 WeakPolarHBondContact O-CB 3.47Å; F612-A616 PolarHBondContact O-N 2.83Å; F612-I625 HydrophobicContact CD1-CD1 4.1Å; F612-I625 HydrophobicContact CD1-CG1 4.22Å; F612-I625 HydrophobicContact CE1-CG1 4.42Å; F612-F637 HydrophobicContact CB-CE2 4.04Å; F612-F637 HydrophobicContact CB-CZ 3.65Å; F612-F637 HydrophobicContact CD1-CZ 4.03Å; F612-F637 HydrophobicContact CD2-CE1 4.05Å; F612-F637 AromaticContact CD2-CZ 3.57Å; F612-F637 HydrophobicContact CD2-CZ 3.57Å; F612-F637 HydrophobicContact CE2-CZ 4.18Å; F612-F637 HydrophobicContact CG-CE1 4.4Å; F612-F637 HydrophobicContact CG-CE2 4.23Å; F612-F637 AromaticContact CG-CZ 3.49Å; F612-F637 HydrophobicContact CG-CZ 3.49Å; F612-F637 VanDerWaalsContact CG-CZ 3.49Å; F612-T655 HydrophobicContact CB-CG2 4.48Å
613Y88.9Confident88.8Confident7 Ų722.3 Ų22.33%0.02711%0.11CC..Hα-helixtrans-54.8-52170.8172.7-108.4000111.2L609 Y610 I611 M615 A616 F617 N654 T655 I658 A764L609-Y613 WeakPolarHBondContact O-CB 3.28Å; L609-Y613 PolarHBondContact O-N 3.2Å; Y610-Y613 HydrophobicContact CD2-CD1 4.18Å; Y610-Y613 HydrophobicContact CE2-CD1 4.18Å; Y610-Y613 WeakPolarHBondContact O-CB 3.48Å; Y610-Y613 PolarHBondContact O-N 3.49Å; I611-Y613 VanDerWaalsContact C-N 3.32Å; I611-Y613 PolarHBondContact O-N 3.32Å; Y613-M615 PolarHBondContact O-N 2.97Å; Y613-A616 PolarHBondContact O-N 3.1Å; Y613-F617 HydrophobicContact CD1-CE2 4.25Å; Y613-F617 AromaticContact CD2-CE2 3.99Å; Y613-F617 HydrophobicContact CD2-CE2 3.99Å; Y613-F617 AromaticContact CE1-CE2 3.8Å; Y613-F617 HydrophobicContact CE1-CE2 3.8Å; Y613-F617 HydrophobicContact CE1-CZ 4.5Å; Y613-F617 AromaticContact CE2-CE2 3.49Å; Y613-F617 HydrophobicContact CE2-CE2 3.49Å; Y613-F617 VanDerWaalsContact CE2-CE2 3.49Å; Y613-F617 AromaticContact CE2-CZ 3.73Å; Y613-F617 HydrophobicContact CE2-CZ 3.73Å; Y613-F617 HydrophobicContact CG-CE2 4.34Å; Y613-F617 AromaticContact CZ-CE2 3.39Å; Y613-F617 AromaticContact CZ-CZ 3.7Å; Y613-F617 WeakPolarHBondContact O-CD2 3.39Å; Y613-N654 HydrophobicContact CD2-CB 4.08Å; Y613-N654 HydrophobicContact CE2-CB 3.8Å; Y613-T655 WeakPolarHBondContact CA-OG1 3.41Å; Y613-T655 VanDerWaalsContact CB-OG1 3.28Å; Y613-T655 WeakPolarHBondContact CB-OG1 3.43Å; Y613-I658 HydrophobicContact CD2-CD1 3.86Å; Y613-I658 HydrophobicContact CE2-CD1 3.73Å; Y613-A764 HydrophobicContact CE1-CB 3.86Å; Y613-A764 PolarHBondContact OH-N 2.57Å
614Q89.9Confident88.3Confident19 Ų1923 Ų239%0.08911%0.114CC..Hα-helixtrans-61.1-46.1178.3-66.6-60.1-27.500111.8Y610 I611 A616 F617 H618Y610-Q614 HydrophobicContact CD1-CG 4.29Å; Y610-Q614 HydrophobicContact CE1-CG 3.89Å; Y610-Q614 WeakPolarHBondContact O-CG 3.44Å; Y610-Q614 PolarHBondContact O-N 3.31Å; Y610-Q614 PolarHBondContact OH-NE2 2.87Å; I611-Q614 PolarHBondContact O-N 3.35Å; Q614-A616 VanDerWaalsContact C-N 3.3Å; Q614-A616 PolarHBondContact O-N 3.16Å; Q614-F617 PolarHBondContact O-N 3.07Å; Q614-H618 PolarHBondContact O-CD2 2.92Å
615M90.6Very high87.7Confident0 Ų023.1 Ų23.10%012%0.115CC..Hα-helixtrans-69.9-21.9-179.9-69-169.7178.200113.4I569 S573 A579 L582 I588 I611 F612 Y613 F617 H618 T621 I625I569-M615 HydrophobicContact CG2-CE 4.29Å; S573-M615 WeakPolarHBondContact OG-CE 3.26Å; A579-M615 HydrophobicContact CB-CG 4.45Å; L582-M615 HydrophobicContact CB-CE 4.19Å; L582-M615 HydrophobicContact CD1-CE 4.14Å; I588-M615 HydrophobicContact CD1-SD 4.16Å; I588-M615 HydrophobicContact CG1-SD 3.85Å; I611-M615 HydrophobicContact CG2-CE 3.69Å; I611-M615 HydrophobicContact CG2-CG 4.18Å; I611-M615 HydrophobicContact CG2-SD 3.99Å; I611-M615 WeakPolarHBondContact O-CB 3.43Å; I611-M615 WeakPolarHBondContact O-CG 3.26Å; I611-M615 PolarHBondContact O-N 3.45Å; F612-M615 PolarHBondContact O-N 3.41Å; Y613-M615 PolarHBondContact O-N 2.97Å; M615-F617 VanDerWaalsContact C-N 3.3Å; M615-F617 PolarHBondContact O-N 3.04Å; M615-H618 PolarHBondContact O-N 2.95Å; M615-T621 PolarHBondContact O-OG1 3.12Å; M615-I625 HydrophobicContact CB-CD1 3.78Å
616A87.9Confident87Confident1 Ų123.7 Ų23.71%0.00812%0.117CC..Hα-helixtrans-69.2-28.2178.800000112.7F612 Y613 Q614 H618 R622 T655 I658F612-A616 VanDerWaalsContact O-CB 3.31Å; F612-A616 WeakPolarHBondContact O-CB 3.47Å; F612-A616 PolarHBondContact O-N 2.83Å; Y613-A616 PolarHBondContact O-N 3.1Å; Q614-A616 VanDerWaalsContact C-N 3.3Å; Q614-A616 PolarHBondContact O-N 3.16Å; A616-H618 VanDerWaalsContact C-N 3.31Å; A616-H618 PolarHBondContact O-N 3.35Å; A616-R622 WeakPolarHBondContact O-CD 3.48Å; A616-R622 PolarHBondContact O-NH1 3.07Å; A616-T655 HydrophobicContact CB-CG2 4.43Å; A616-I658 HydrophobicContact CB-CB 4.31Å; A616-I658 HydrophobicContact CB-CD1 4.42Å; A616-I658 HydrophobicContact CB-CG2 3.77Å
617F87.3Confident86Confident88 Ų8829.8 Ų29.839%0.38614%0.143SC..Hα-helixtrans-66.2-34.7175.8-72.6-77.2000112.6Y613 Q614 M615 R622 I658Y613-F617 HydrophobicContact CD1-CE2 4.25Å; Y613-F617 AromaticContact CD2-CE2 3.99Å; Y613-F617 HydrophobicContact CD2-CE2 3.99Å; Y613-F617 AromaticContact CE1-CE2 3.8Å; Y613-F617 HydrophobicContact CE1-CE2 3.8Å; Y613-F617 HydrophobicContact CE1-CZ 4.5Å; Y613-F617 AromaticContact CE2-CE2 3.49Å; Y613-F617 HydrophobicContact CE2-CE2 3.49Å; Y613-F617 VanDerWaalsContact CE2-CE2 3.49Å; Y613-F617 AromaticContact CE2-CZ 3.73Å; Y613-F617 HydrophobicContact CE2-CZ 3.73Å; Y613-F617 HydrophobicContact CG-CE2 4.34Å; Y613-F617 AromaticContact CZ-CE2 3.39Å; Y613-F617 AromaticContact CZ-CZ 3.7Å; Y613-F617 WeakPolarHBondContact O-CD2 3.39Å; Q614-F617 PolarHBondContact O-N 3.07Å; M615-F617 VanDerWaalsContact C-N 3.3Å; M615-F617 PolarHBondContact O-N 3.04Å; F617-R622 PolarHBondContact O-NH1 3.43Å; F617-R622 VanDerWaalsContact O-NH1 3.15Å; F617-I658 HydrophobicContact CD1-CD1 4.29Å; F617-I658 HydrophobicContact CD2-CD1 4.08Å; F617-I658 HydrophobicContact CE1-CD1 3.74Å; F617-I658 HydrophobicContact CE1-CG1 4.28Å; F617-I658 HydrophobicContact CE2-CD1 3.5Å; F617-I658 VanDerWaalsContact CE2-CD1 3.5Å; F617-I658 HydrophobicContact CG-CD1 4.45Å; F617-I658 HydrophobicContact CZ-CD1 3.31Å; F617-I658 HydrophobicContact CZ-CG1 4.25Å
618H88.2Confident84.4Confident26 Ų2636 Ų3612%0.1218%0.177CC..SBendtrans-82.9128.2-175.2-57.5-49.6000111.3S573 M574 D576 A579 Q614 M615 A616 A620 T621 R622S573-H618 PolarHBondContact O-CD2 3.49Å; S573-H618 PolarHBondContact O-NE2 2.91Å; M574-H618 PolarHBondContact O-CE1 3.49Å; M574-H618 VanDerWaalsContact O-CE1 3.28Å; M574-H618 PolarHBondContact O-NE2 3.45Å; D576-H618 WeakPolarHBondContact OD1-CB 3.39Å; D576-H618 IonicContact OD1-CG 2.81Å; D576-H618 IonicContact OD1-ND1 3.4Å; A579-H618 HydrophobicContact CB-CB 4.42Å; A579-H618 VanDerWaalsContact CB-CD2 3.41Å; A579-H618 WeakPolarHBondContact CB-CD2 3.17Å; Q614-H618 PolarHBondContact O-CD2 2.92Å; M615-H618 PolarHBondContact O-N 2.95Å; A616-H618 VanDerWaalsContact C-N 3.31Å; A616-H618 PolarHBondContact O-N 3.35Å; H618-A620 VanDerWaalsContact C-N 3.3Å; H618-A620 PolarHBondContact O-N 3.23Å; H618-T621 WeakPolarHBondContact CB-OG1 3.48Å; H618-T621 PolarHBondContact O-N 3.5Å; H618-T621 PolarHBondContact O-OG1 3.41Å; H618-T621 VanDerWaalsContact O-OG1 3.06Å; H618-R622 VanDerWaalsContact O-CB 3.31Å; H618-R622 WeakPolarHBondContact O-CB 3.33Å; H618-R622 PolarHBondContact O-N 2.91Å
619K83.9Confident82.6Confident149 Ų14936.7 Ų36.765%0.64818%0.181SC*.Hα-helixtrans-61.5-39.9-175.9-177179.2177.1179.90112.1T621K619-T621 PolarHBondContact O-N 2.86Å
620A82.3Confident80.8Confident48 Ų4840.5 Ų40.540%0.39720%0.204SC..Hα-helixtrans-64.8-27.9-175.200000113.4A580 H618 I624A580-A620 HydrophobicContact CB-CB 3.8Å; H618-A620 VanDerWaalsContact C-N 3.3Å; H618-A620 PolarHBondContact O-N 3.23Å; A620-I624 WeakPolarHBondContact O-CD1 3.22Å
621T85.9Confident79.3Confident0 Ų044 Ų440%023%0.228CC..Hα-helixtrans-100.5-32.3-178.145.40000112.1A579 A583 M615 H618 K619 D623 I624 I625A579-T621 VanDerWaalsContact C-CG2 3.47Å; A579-T621 HydrophobicContact CB-CG2 3.88Å; A579-T621 VanDerWaalsContact O-CG2 3.26Å; A579-T621 WeakPolarHBondContact O-CG2 3.49Å; A583-T621 HydrophobicContact CB-CG2 3.59Å; M615-T621 PolarHBondContact O-OG1 3.12Å; H618-T621 WeakPolarHBondContact CB-OG1 3.48Å; H618-T621 PolarHBondContact O-N 3.5Å; H618-T621 PolarHBondContact O-OG1 3.41Å; H618-T621 VanDerWaalsContact O-OG1 3.06Å; K619-T621 PolarHBondContact O-N 2.86Å; T621-D623 VanDerWaalsContact C-N 3.34Å; T621-D623 PolarHBondContact O-N 3.19Å; T621-I624 WeakPolarHBondContact O-CB 3.18Å; T621-I624 PolarHBondContact O-N 3Å; T621-I625 WeakPolarHBondContact O-CG1 3.29Å; T621-I625 PolarHBondContact O-N 2.93Å
622R85.9Confident78.1Confident26 Ų2648.5 Ų48.510%0.09825%0.249CC..Hα-helixtrans-56.7-44.6176.9-177.8170.859.6-112.28.2112.9A616 F617 H618 I624 I625 I626 Y662A616-R622 WeakPolarHBondContact O-CD 3.48Å; A616-R622 PolarHBondContact O-NH1 3.07Å; F617-R622 PolarHBondContact O-NH1 3.43Å; F617-R622 VanDerWaalsContact O-NH1 3.15Å; H618-R622 VanDerWaalsContact O-CB 3.31Å; H618-R622 WeakPolarHBondContact O-CB 3.33Å; H618-R622 PolarHBondContact O-N 2.91Å; R622-I624 PolarHBondContact O-N 3.48Å; R622-I625 PolarHBondContact O-N 3Å; R622-I626 HydrophobicContact CG-CD1 3.52Å; R622-I626 HydrophobicContact CG-CG1 4.27Å; R622-I626 WeakPolarHBondContact O-CB 3.44Å; R622-I626 VanDerWaalsContact O-CG1 3.28Å; R622-I626 WeakPolarHBondContact O-CG1 3.45Å; R622-I626 PolarHBondContact O-N 3.36Å; R622-Y662 VanDerWaalsContact CD-CD2 3.43Å; R622-Y662 VanDerWaalsContact NE-CG 3.25Å
623D78.4Confident77.2Confident63 Ų6348.6 Ų48.634%0.33725%0.25SC..Hα-helixtrans-61.5-35.6177-81.8-41.2000111.6T621 K627T621-D623 VanDerWaalsContact C-N 3.34Å; T621-D623 PolarHBondContact O-N 3.19Å; D623-K627 WeakPolarHBondContact O-CA 3.25Å; D623-K627 VanDerWaalsContact O-CB 3.24Å; D623-K627 WeakPolarHBondContact O-CB 3.42Å; D623-K627 PolarHBondContact O-N 2.84Å; D623-K627 IonicContact OD1-NZ 2.77Å; D623-K627 PolarHBondContact OD1-NZ 3.4Å
624I80.7Confident76.7Confident38 Ų3848.3 Ų48.320%0.19525%0.249CC..Iπ-helixtrans-69.4-47178.1-63.2167.8000110.1A583 I588 A620 T621 R622 I626 D628 T629A583-I624 HydrophobicContact CB-CD1 3.71Å; I588-I624 HydrophobicContact CD1-CB 4.18Å; I588-I624 HydrophobicContact CD1-CG2 3.82Å; I588-I624 HydrophobicContact CG2-CG2 4.44Å; A620-I624 WeakPolarHBondContact O-CD1 3.22Å; T621-I624 WeakPolarHBondContact O-CB 3.18Å; T621-I624 PolarHBondContact O-N 3Å; R622-I624 PolarHBondContact O-N 3.48Å; I624-I626 VanDerWaalsContact C-N 3.28Å; I624-I626 PolarHBondContact O-N 3.44Å; I624-D628 HydrophobicContact CG2-CB 4.33Å; I624-D628 PolarHBondContact O-N 3.21Å; I624-D628 VanDerWaalsContact O-N 3.14Å; I624-T629 PolarHBondContact O-N 2.89Å; I624-T629 PolarHBondContact O-OG1 3.19Å
625I80.1Confident76.3Confident4 Ų449.2 Ų49.22%0.02126%0.26CS..Iπ-helixtrans-59.7-38.6178.9-65.5164.6000111.4I588 F612 M615 T621 R622I588-I625 HydrophobicContact CD1-CG1 4.12Å; F612-I625 HydrophobicContact CD1-CD1 4.1Å; F612-I625 HydrophobicContact CD1-CG1 4.22Å; F612-I625 HydrophobicContact CE1-CG1 4.42Å; M615-I625 HydrophobicContact CB-CD1 3.78Å; T621-I625 WeakPolarHBondContact O-CG1 3.29Å; T621-I625 PolarHBondContact O-N 2.93Å; R622-I625 PolarHBondContact O-N 3Å
626I76.4Confident75.9Confident15 Ų1550.6 Ų50.68%0.07727%0.265CS..Iπ-helixtrans-87.4-39-175.6-62.4176.1000112.7R622 I624 I659 D663R622-I626 HydrophobicContact CG-CD1 3.52Å; R622-I626 HydrophobicContact CG-CG1 4.27Å; R622-I626 WeakPolarHBondContact O-CB 3.44Å; R622-I626 VanDerWaalsContact O-CG1 3.28Å; R622-I626 WeakPolarHBondContact O-CG1 3.45Å; R622-I626 PolarHBondContact O-N 3.36Å; I624-I626 VanDerWaalsContact C-N 3.28Å; I624-I626 PolarHBondContact O-N 3.44Å; I626-I659 HydrophobicContact CD1-CG2 4.13Å; I626-I659 HydrophobicContact CG1-CG2 4.22Å; I626-D663 HydrophobicContact CD1-CB 4.17Å; I626-D663 HydrophobicContact CG2-CB 3.91Å
627K69.4Low75.7Confident132 Ų13250.5 Ų50.557%0.57427%0.265SS*.Iπ-helixtrans-116.3-37.4-165.4-59173.7-178.8149.70115.7D623D623-K627 WeakPolarHBondContact O-CA 3.25Å; D623-K627 VanDerWaalsContact O-CB 3.24Å; D623-K627 WeakPolarHBondContact O-CB 3.42Å; D623-K627 PolarHBondContact O-N 2.84Å; D623-K627 IonicContact OD1-NZ 2.77Å; D623-K627 PolarHBondContact OD1-NZ 3.4Å
628D59.6Low75.5Confident133 Ų13347.6 Ų47.671%0.71125%0.254SS*.Iπ-helixtrans-100-23.8-170.8-72.7-24000113.8I624I624-D628 HydrophobicContact CG2-CB 4.33Å; I624-D628 PolarHBondContact O-N 3.21Å; I624-D628 VanDerWaalsContact O-N 3.14Å
629T53.8Low75.2Confident14 Ų1452 Ų529%0.08628%0.278CS..SBendtrans-84.8136.5166.6-8.10000107.6I588 P589 I592 I624I588-T629 HydrophobicContact CG2-CG2 4.1Å; P589-T629 HydrophobicContact CG-CG2 4.3Å; I592-T629 HydrophobicContact CD1-CG2 3.44Å; I592-T629 VanDerWaalsContact CD1-CG2 3.44Å; I624-T629 PolarHBondContact O-N 2.89Å; I624-T629 PolarHBondContact O-OG1 3.19Å
630T52.6Low75.2Confident80 Ų8045.6 Ų45.649%0.49125%0.251SS..  trans-47.1143.5174.631.40000109.3E632T630-E632 VanDerWaalsContact CB-OE1 3.23Å; T630-E632 WeakPolarHBondContact CB-OE1 3.29Å; T630-E632 PolarHBondContact O-N 2.95Å; T630-E632 PolarHBondContact OG1-OE1 3.24Å
631P60.2Low75Confident80 Ų8044.2 Ų44.252%0.51924%0.237SC..THydrogen-bonded Turntrans-59.614.4-170.921.8-33.6000116.3A635 W666P631-A635 VanDerWaalsContact O-CB 3.24Å; P631-A635 WeakPolarHBondContact O-CB 3.31Å; P631-A635 PolarHBondContact O-N 2.89Å; P631-W666 HydrophobicContact CB-CH2 4.42Å; P631-W666 HydrophobicContact CB-CZ2 3.75Å
632E66.8Low74.6Confident95 Ų9547.7 Ų47.744%0.44425%0.253SS..Hα-helixtrans-65.1-41.3179.6-65.5168-140.800112.9T630 A635 Y636T630-E632 VanDerWaalsContact CB-OE1 3.23Å; T630-E632 WeakPolarHBondContact CB-OE1 3.29Å; T630-E632 PolarHBondContact O-N 2.95Å; T630-E632 PolarHBondContact OG1-OE1 3.24Å; E632-A635 PolarHBondContact O-N 3.11Å; E632-Y636 WeakPolarHBondContact O-CB 3.45Å; E632-Y636 PolarHBondContact O-N 3.16Å
633A73.3Confident74.6Confident2 Ų248.3 Ų48.32%0.01726%0.258CS..Hα-helixtrans-66.5-53.7-176.600000113.1I592 A635 Y636 F637I592-A633 HydrophobicContact CD1-CB 3.82Å; I592-A633 HydrophobicContact CG1-CB 4.26Å; A633-A635 VanDerWaalsContact C-N 3.29Å; A633-A635 PolarHBondContact O-N 3.07Å; A633-Y636 PolarHBondContact O-N 3.12Å; A633-F637 HydrophobicContact CB-CE2 4.5Å; A633-F637 HydrophobicContact CB-CZ 4.12Å; A633-F637 WeakPolarHBondContact O-CD1 3.26Å; A633-F637 WeakPolarHBondContact O-CD2 3.28Å; A633-F637 WeakPolarHBondContact O-CG 3.44Å; A633-F637 PolarHBondContact O-N 3.02Å
634P78.5Confident74.6Confident1 Ų148.9 Ų48.91%0.00628%0.279CS..Hα-helixtrans-67-28.6176.3-17.230.8000113.3V638 I659 W666P634-V638 WeakPolarHBondContact O-CG2 3.46Å; P634-V638 PolarHBondContact O-N 3.07Å; P634-I659 HydrophobicContact CB-CD1 4.31Å; P634-I659 HydrophobicContact CG-CD1 4.39Å; P634-W666 HydrophobicContact CB-CD2 3.86Å; P634-W666 HydrophobicContact CB-CE3 3.81Å; P634-W666 HydrophobicContact CB-CH2 3.65Å; P634-W666 HydrophobicContact CB-CZ2 3.68Å; P634-W666 HydrophobicContact CB-CZ3 3.71Å; P634-W666 HydrophobicContact CG-CD2 4.45Å; P634-W666 HydrophobicContact CG-CH2 4.36Å; P634-W666 HydrophobicContact CG-CZ2 3.93Å
635A80.6Confident74.7Confident39 Ų3949.4 Ų49.432%0.32228%0.282SS..Hα-helixtrans-65.6-46.7172.100000111.7P631 E632 A633 F637 V638 D639 W666P631-A635 VanDerWaalsContact O-CB 3.24Å; P631-A635 WeakPolarHBondContact O-CB 3.31Å; P631-A635 PolarHBondContact O-N 2.89Å; E632-A635 PolarHBondContact O-N 3.11Å; A633-A635 VanDerWaalsContact C-N 3.29Å; A633-A635 PolarHBondContact O-N 3.07Å; A635-F637 VanDerWaalsContact C-N 3.29Å; A635-F637 PolarHBondContact O-N 3.01Å; A635-V638 WeakPolarHBondContact O-CA 3.44Å; A635-V638 WeakPolarHBondContact O-CB 3.46Å; A635-V638 PolarHBondContact O-N 3.03Å; A635-V638 VanDerWaalsContact O-N 3.07Å; A635-D639 PolarHBondContact O-N 3.15Å; A635-W666 HydrophobicContact CB-CH2 4.08Å
636Y81.9Confident74.9Confident28 Ų2851.8 Ų51.811%0.1130%0.302CS..Hα-helixtrans-62.2-37.9176.8-175.5-98.7000111.6L595 Q599 E632 A633 V638 D639 L640L595-Y636 HydrophobicContact CD1-CE1 3.75Å; L595-Y636 HydrophobicContact CD2-CD1 3.48Å; L595-Y636 VanDerWaalsContact CD2-CD1 3.48Å; L595-Y636 HydrophobicContact CD2-CE1 3.39Å; L595-Y636 HydrophobicContact CD2-CG 4.5Å; L595-Y636 HydrophobicContact CG-CD1 4.03Å; L595-Y636 HydrophobicContact CG-CE1 3.45Å; L595-Y636 VanDerWaalsContact CG-CE1 3.45Å; Q599-Y636 HydrophobicContact CG-CE2 4.1Å; Q599-Y636 WeakPolarHBondContact CG-OH 3.44Å; E632-Y636 WeakPolarHBondContact O-CB 3.45Å; E632-Y636 PolarHBondContact O-N 3.16Å; A633-Y636 PolarHBondContact O-N 3.12Å; Y636-V638 VanDerWaalsContact C-N 3.35Å; Y636-V638 PolarHBondContact O-N 3.36Å; Y636-D639 WeakPolarHBondContact O-CB 3.44Å; Y636-D639 PolarHBondContact O-N 2.79Å; Y636-L640 HydrophobicContact CD1-CD1 3.79Å; Y636-L640 HydrophobicContact CD1-CG 4.18Å; Y636-L640 HydrophobicContact CE1-CD1 3.22Å; Y636-L640 HydrophobicContact CE1-CD2 4.41Å; Y636-L640 HydrophobicContact CE1-CG 3.8Å; Y636-L640 WeakPolarHBondContact O-CG 3.37Å; Y636-L640 PolarHBondContact O-N 3.3Å
637F84.6Confident75.2Confident0 Ų052.7 Ų52.70%031%0.312CS..Hα-helixtrans-61.8-43.8172.6-60.7-10.7000111.1L595 L609 F612 A633 A635 D639 L640 M641 C652 T655 L656 I659L595-F637 HydrophobicContact CD2-CE1 4.39Å; L609-F637 HydrophobicContact CD2-CD1 3.23Å; L609-F637 HydrophobicContact CD2-CE1 3.26Å; L609-F637 HydrophobicContact CD2-CG 4.11Å; L609-F637 HydrophobicContact CD2-CZ 4.13Å; F612-F637 HydrophobicContact CB-CE2 4.04Å; F612-F637 HydrophobicContact CB-CZ 3.65Å; F612-F637 HydrophobicContact CD1-CZ 4.03Å; F612-F637 HydrophobicContact CD2-CE1 4.05Å; F612-F637 AromaticContact CD2-CZ 3.57Å; F612-F637 HydrophobicContact CD2-CZ 3.57Å; F612-F637 HydrophobicContact CE2-CZ 4.18Å; F612-F637 HydrophobicContact CG-CE1 4.4Å; F612-F637 HydrophobicContact CG-CE2 4.23Å; F612-F637 AromaticContact CG-CZ 3.49Å; F612-F637 HydrophobicContact CG-CZ 3.49Å; F612-F637 VanDerWaalsContact CG-CZ 3.49Å; A633-F637 HydrophobicContact CB-CE2 4.5Å; A633-F637 HydrophobicContact CB-CZ 4.12Å; A633-F637 WeakPolarHBondContact O-CD1 3.26Å; A633-F637 WeakPolarHBondContact O-CD2 3.28Å; A633-F637 WeakPolarHBondContact O-CG 3.44Å; A633-F637 PolarHBondContact O-N 3.02Å; A635-F637 VanDerWaalsContact C-N 3.29Å; A635-F637 PolarHBondContact O-N 3.01Å; F637-D639 PolarHBondContact O-N 3.01Å; F637-L640 CarbonylContact O-C 3.58Å; F637-L640 WeakPolarHBondContact O-CA 3.43Å; F637-L640 PolarHBondContact O-N 2.69Å; F637-M641 WeakPolarHBondContact O-CG 3.45Å; F637-M641 PolarHBondContact O-N 3.02Å; F637-C652 VanDerWaalsContact C-SG 3.52Å; F637-C652 PolarHBondContact O-SG 3.37Å; F637-T655 HydrophobicContact CD2-CG2 4.12Å; F637-T655 HydrophobicContact CE2-CG2 3.99Å; F637-L656 HydrophobicContact CB-CD1 4.22Å; F637-L656 HydrophobicContact CB-CD2 3.67Å; F637-L656 HydrophobicContact CB-CG 3.97Å; F637-L656 HydrophobicContact CD2-CD2 4.39Å; F637-I659 HydrophobicContact CD2-CD1 4.14Å; F637-I659 HydrophobicContact CE2-CD1 4.34Å
638V83.2Confident76Confident26 Ų2646.4 Ų46.416%0.15829%0.285CS..Hα-helixtrans-56.7-40.7174.5169.50000111.5P634 A635 Y636 L640 M641 L656 I670 A673P634-V638 WeakPolarHBondContact O-CG2 3.46Å; P634-V638 PolarHBondContact O-N 3.07Å; A635-V638 WeakPolarHBondContact O-CA 3.44Å; A635-V638 WeakPolarHBondContact O-CB 3.46Å; A635-V638 PolarHBondContact O-N 3.03Å; A635-V638 VanDerWaalsContact O-N 3.07Å; Y636-V638 VanDerWaalsContact C-N 3.35Å; Y636-V638 PolarHBondContact O-N 3.36Å; V638-L640 VanDerWaalsContact C-N 3.33Å; V638-L640 PolarHBondContact O-N 3.37Å; V638-M641 HydrophobicContact CB-SD 4.39Å; V638-M641 HydrophobicContact CG1-SD 4.36Å; V638-M641 HydrophobicContact CG2-SD 4.31Å; V638-M641 WeakPolarHBondContact O-CB 3.34Å; V638-M641 VanDerWaalsContact O-CG 3.31Å; V638-M641 WeakPolarHBondContact O-CG 3.09Å; V638-M641 PolarHBondContact O-N 2.89Å; V638-L656 HydrophobicContact CG2-CD1 4.21Å; V638-L656 HydrophobicContact CG2-CD2 4.1Å; V638-I670 HydrophobicContact CG2-CG1 4.11Å; V638-A673 HydrophobicContact CG1-CB 3.49Å; V638-A673 VanDerWaalsContact CG1-CB 3.49Å
639D82Confident77.2Confident118 Ų11844.5 Ų44.563%0.63127%0.268SS*.Hα-helixtrans-64.6-37.5175.6-62.3-29.5000112A635 Y636 F637 M641A635-D639 PolarHBondContact O-N 3.15Å; Y636-D639 WeakPolarHBondContact O-CB 3.44Å; Y636-D639 PolarHBondContact O-N 2.79Å; F637-D639 PolarHBondContact O-N 3.01Å; D639-M641 VanDerWaalsContact C-N 3.34Å; D639-M641 PolarHBondContact O-N 2.87Å
640L83.4Confident78.7Confident16 Ų1651.9 Ų51.98%0.08429%0.294CS..Hα-helixtrans-79.2-6178.6-68.9-172.1000115.3V605 L609 Y636 F637 V638 H642 D643 I648V605-L640 HydrophobicContact CG1-CD1 3.46Å; V605-L640 VanDerWaalsContact CG1-CD1 3.46Å; L609-L640 HydrophobicContact CD1-CD1 3.85Å; L609-L640 HydrophobicContact CD2-CD1 4.25Å; L609-L640 HydrophobicContact CG-CD1 4.33Å; Y636-L640 HydrophobicContact CD1-CD1 3.79Å; Y636-L640 HydrophobicContact CD1-CG 4.18Å; Y636-L640 HydrophobicContact CE1-CD1 3.22Å; Y636-L640 HydrophobicContact CE1-CD2 4.41Å; Y636-L640 HydrophobicContact CE1-CG 3.8Å; Y636-L640 WeakPolarHBondContact O-CG 3.37Å; Y636-L640 PolarHBondContact O-N 3.3Å; F637-L640 CarbonylContact O-C 3.58Å; F637-L640 WeakPolarHBondContact O-CA 3.43Å; F637-L640 PolarHBondContact O-N 2.69Å; V638-L640 VanDerWaalsContact C-N 3.33Å; V638-L640 PolarHBondContact O-N 3.37Å; L640-H642 PolarHBondContact O-N 3.34Å; L640-D643 HydrophobicContact CD2-CB 4.43Å; L640-D643 VanDerWaalsContact O-CB 3.31Å; L640-D643 WeakPolarHBondContact O-CB 3.15Å; L640-D643 PolarHBondContact O-N 2.89Å; L640-D643 VanDerWaalsContact O-N 3.15Å; L640-I648 HydrophobicContact CB-CG2 4.25Å; L640-I648 HydrophobicContact CD1-CG2 4.25Å
641M77.1Confident80.3Confident19 Ų1948.4 Ų48.49%0.09427%0.272CS..THydrogen-bonded Turntrans-58.2-21.8174.6-65.8-178.371.600112.9F637 V638 D639 R649 L656 K674F637-M641 WeakPolarHBondContact O-CG 3.45Å; F637-M641 PolarHBondContact O-N 3.02Å; V638-M641 HydrophobicContact CB-SD 4.39Å; V638-M641 HydrophobicContact CG1-SD 4.36Å; V638-M641 HydrophobicContact CG2-SD 4.31Å; V638-M641 WeakPolarHBondContact O-CB 3.34Å; V638-M641 VanDerWaalsContact O-CG 3.31Å; V638-M641 WeakPolarHBondContact O-CG 3.09Å; V638-M641 PolarHBondContact O-N 2.89Å; D639-M641 VanDerWaalsContact C-N 3.34Å; D639-M641 PolarHBondContact O-N 2.87Å; M641-R649 WeakPolarHBondContact O-CD 3.49Å; M641-L656 HydrophobicContact CE-CD1 4.02Å; M641-L656 HydrophobicContact CG-CD1 3.29Å; M641-L656 HydrophobicContact SD-CD1 3.27Å; M641-L656 WeakPolarHBondContact SD-CD1 3.21Å; M641-K674 HydrophobicContact CE-CD 4Å; M641-K674 HydrophobicContact CE-CG 3.39Å
642H77.9Confident81.5Confident72 Ų7244.6 Ų44.633%0.33325%0.248SC..THydrogen-bonded Turntrans-11414.1-174.4-50.1-43.3000112.5L640 Y677L640-H642 PolarHBondContact O-N 3.34Å; H642-Y677 HydrophobicContact CB-CD2 4.46Å; H642-Y677 HydrophobicContact CB-CE2 4.03Å; H642-Y677 AromaticContact CD2-CD2 3.71Å; H642-Y677 WeakPolarHBondContact CE1-CB 3.3Å; H642-Y677 AromaticContact CE1-CD1 3.36Å; H642-Y677 WeakPolarHBondContact CE1-CD1 3.24Å; H642-Y677 AromaticContact CE1-CD2 3.3Å; H642-Y677 WeakPolarHBondContact CE1-CD2 3.42Å; H642-Y677 AromaticContact CE1-CE1 3.9Å; H642-Y677 AromaticContact CE1-CE2 3.85Å; H642-Y677 AromaticContact CE1-CG 3.01Å; H642-Y677 AromaticContact CG-CD2 3.55Å; H642-Y677 AromaticContact CG-CE2 3.53Å; H642-Y677 AromaticContact ND1-CD1 3.56Å; H642-Y677 AromaticContact ND1-CD2 3.29Å; H642-Y677 VanDerWaalsContact ND1-CD2 3.29Å; H642-Y677 WeakPolarHBondContact ND1-CD2 3.19Å; H642-Y677 AromaticContact ND1-CE1 3.59Å; H642-Y677 AromaticContact ND1-CE2 3.33Å; H642-Y677 VanDerWaalsContact ND1-CE2 3.33Å; H642-Y677 WeakPolarHBondContact ND1-CE2 3.46Å; H642-Y677 AromaticContact ND1-CG 3.39Å; H642-Y677 AromaticContact ND1-CZ 3.46Å; H642-Y677 WeakPolarHBondContact NE2-CB 3.36Å; H642-Y677 AromaticContact NE2-CD2 3.54Å; H642-Y677 AromaticContact NE2-CG 3.5Å
643D85.4Confident82.4Confident39 Ų3942.9 Ų42.921%0.20924%0.242CC..  trans-57.1150.3179.7-169.8-91.3000112.1L640 N645 I648 R649L640-D643 HydrophobicContact CD2-CB 4.43Å; L640-D643 VanDerWaalsContact O-CB 3.31Å; L640-D643 WeakPolarHBondContact O-CB 3.15Å; L640-D643 PolarHBondContact O-N 2.89Å; L640-D643 VanDerWaalsContact O-N 3.15Å; D643-N645 PolarHBondContact O-N 3.27Å; D643-N645 WeakPolarHBondContact OD1-CA 3.47Å; D643-N645 WeakPolarHBondContact OD1-CB 3.31Å; D643-N645 PolarHBondContact OD1-N 3.19Å; D643-I648 HydrophobicContact CB-CB 4.29Å; D643-I648 HydrophobicContact CB-CG2 3.71Å; D643-R649 HydrophobicContact CB-CG 4.25Å; D643-R649 WeakPolarHBondContact O-CD 3.45Å; D643-R649 VanDerWaalsContact O-CG 3.26Å; D643-R649 WeakPolarHBondContact O-CG 3.42Å; D643-R649 PolarHBondContact O-NH1 3.12Å
644G78.6Confident83Confident76 Ų7645.5 Ų45.578%0.78426%0.255SS*.SBendtrans-63.2-29.1178.600000113.3R649G644-R649 PolarHBondContact O-NH1 2.76Å
645N83.6Confident83.4Confident49 Ų4945.5 Ų45.526%0.26226%0.255SS..  trans-83.7122.2-177-168.3-41.1000112.1D602 D643 A647 I648 R649D602-N645 PolarHBondContact OD2-ND2 2.66Å; D643-N645 PolarHBondContact O-N 3.27Å; D643-N645 WeakPolarHBondContact OD1-CA 3.47Å; D643-N645 WeakPolarHBondContact OD1-CB 3.31Å; D643-N645 PolarHBondContact OD1-N 3.19Å; N645-A647 VanDerWaalsContact C-N 3.29Å; N645-A647 PolarHBondContact O-N 2.85Å; N645-A647 WeakPolarHBondContact OD1-CB 3.18Å; N645-A647 PolarHBondContact OD1-N 3.38Å; N645-I648 HydrophobicContact CB-CB 4.1Å; N645-I648 HydrophobicContact CB-CD1 3.8Å; N645-I648 HydrophobicContact CB-CG1 3.94Å; N645-I648 PolarHBondContact O-N 2.95Å; N645-R649 WeakPolarHBondContact O-CG 3.06Å; N645-R649 PolarHBondContact O-N 3.04Å; N645-R649 VanDerWaalsContact O-N 3.12Å
646A84.6Confident83.7Confident53 Ų5343.6 Ų43.644%0.43824%0.24SC..Hα-helixtrans-66.2-28-177.100000114R650A646-R650 WeakPolarHBondContact O-CB 3.48Å; A646-R650 PolarHBondContact O-N 3.32Å
647A81.8Confident84Confident34 Ų3445.4 Ų45.428%0.28125%0.251SS..Hα-helixtrans-72.8-46178.300000110.8N645 R649 R650 V651N645-A647 VanDerWaalsContact C-N 3.29Å; N645-A647 PolarHBondContact O-N 2.85Å; N645-A647 WeakPolarHBondContact OD1-CB 3.18Å; N645-A647 PolarHBondContact OD1-N 3.38Å; A647-R649 PolarHBondContact O-N 3.3Å; A647-R650 PolarHBondContact O-N 3.34Å; A647-V651 WeakPolarHBondContact O-CG2 3.15Å; A647-V651 PolarHBondContact O-N 2.97Å
648I86.3Confident84Confident0 Ų046.1 Ų46.10%026%0.255CS..Hα-helixtrans-55.4-52.7174.4-66.2-179.5000109.9D602 V605 C606 L609 L640 D643 N645 R650 V651 C652D602-I648 HydrophobicContact CB-CD1 4.13Å; V605-I648 HydrophobicContact CB-CD1 4.03Å; V605-I648 HydrophobicContact CG1-CD1 3.8Å; V605-I648 HydrophobicContact CG1-CG1 4.33Å; V605-I648 HydrophobicContact CG1-CG2 4.15Å; C606-I648 HydrophobicContact CB-CG1 3.9Å; L609-I648 HydrophobicContact CD1-CB 4.48Å; L609-I648 HydrophobicContact CD1-CG2 3.69Å; L640-I648 HydrophobicContact CB-CG2 4.25Å; L640-I648 HydrophobicContact CD1-CG2 4.25Å; D643-I648 HydrophobicContact CB-CB 4.29Å; D643-I648 HydrophobicContact CB-CG2 3.71Å; N645-I648 HydrophobicContact CB-CB 4.1Å; N645-I648 HydrophobicContact CB-CD1 3.8Å; N645-I648 HydrophobicContact CB-CG1 3.94Å; N645-I648 PolarHBondContact O-N 2.95Å; I648-R650 VanDerWaalsContact C-N 3.3Å; I648-R650 PolarHBondContact O-N 3.14Å; I648-V651 PolarHBondContact O-N 2.95Å; I648-C652 WeakPolarHBondContact O-CB 3.44Å; I648-C652 PolarHBondContact O-N 2.68Å
649R86.3Confident84.2Confident94 Ų9444.9 Ų44.936%0.35525%0.248SC..Hα-helixtrans-54.7-44.5177.6-69-164.5-57.3-86.61.8112.7M641 D643 G644 N645 A647 D653M641-R649 WeakPolarHBondContact O-CD 3.49Å; D643-R649 HydrophobicContact CB-CG 4.25Å; D643-R649 WeakPolarHBondContact O-CD 3.45Å; D643-R649 VanDerWaalsContact O-CG 3.26Å; D643-R649 WeakPolarHBondContact O-CG 3.42Å; D643-R649 PolarHBondContact O-NH1 3.12Å; G644-R649 PolarHBondContact O-NH1 2.76Å; N645-R649 WeakPolarHBondContact O-CG 3.06Å; N645-R649 PolarHBondContact O-N 3.04Å; N645-R649 VanDerWaalsContact O-N 3.12Å; A647-R649 PolarHBondContact O-N 3.3Å; R649-D653 VanDerWaalsContact O-CB 3.26Å; R649-D653 WeakPolarHBondContact O-CB 3.36Å; R649-D653 PolarHBondContact O-N 2.88Å
650R84.8Confident84.4Confident169 Ų16940.6 Ų40.664%0.63823%0.228SC*.Hα-helixtrans-65.8-49.6-178.1-173.9-170.2-58.8166.33.1112.1A646 A647 I648 C652 N654A646-R650 WeakPolarHBondContact O-CB 3.48Å; A646-R650 PolarHBondContact O-N 3.32Å; A647-R650 PolarHBondContact O-N 3.34Å; I648-R650 VanDerWaalsContact C-N 3.3Å; I648-R650 PolarHBondContact O-N 3.14Å; R650-C652 VanDerWaalsContact C-N 3.3Å; R650-N654 WeakPolarHBondContact O-CB 3.04Å; R650-N654 PolarHBondContact O-N 3.1Å; R650-N654 VanDerWaalsContact O-N 3.15Å; R650-N654 PolarHBondContact O-ND2 3.44Å
651V85.1Confident84.6Confident6 Ų646.9 Ų46.94%0.03626%0.257CS..Hα-helixtrans-65.9-40-179.4177.90000110L609 A647 I648 T655L609-V651 HydrophobicContact CB-CG1 3.95Å; A647-V651 WeakPolarHBondContact O-CG2 3.15Å; A647-V651 PolarHBondContact O-N 2.97Å; I648-V651 PolarHBondContact O-N 2.95Å; V651-T655 WeakPolarHBondContact O-CB 3.46Å; V651-T655 PolarHBondContact O-N 3.39Å; V651-T655 PolarHBondContact O-OG1 3.34Å
652C86.2Confident84.9Confident0 Ų052.1 Ų52.10%028%0.277CS..Hα-helixtrans-61.6-52.9176.4-173.60000112.3L609 F637 I648 R650 N654 T655 L656L609-C652 HydrophobicContact CD1-CB 4.18Å; F637-C652 VanDerWaalsContact C-SG 3.52Å; F637-C652 PolarHBondContact O-SG 3.37Å; I648-C652 WeakPolarHBondContact O-CB 3.44Å; I648-C652 PolarHBondContact O-N 2.68Å; R650-C652 VanDerWaalsContact C-N 3.3Å; C652-N654 VanDerWaalsContact C-N 3.33Å; C652-N654 PolarHBondContact O-N 3.4Å; C652-T655 WeakPolarHBondContact O-CB 3.16Å; C652-T655 PolarHBondContact O-N 3.24Å; C652-L656 WeakPolarHBondContact O-CG 3.49Å; C652-L656 PolarHBondContact O-N 3.39Å
653D85.1Confident85.2Confident60 Ų6050.2 Ų50.232%0.32127%0.269SS..Hα-helixtrans-58.7-44.9-178.9-16847.5000111.6R649 T655 L656 D657 K674R649-D653 VanDerWaalsContact O-CB 3.26Å; R649-D653 WeakPolarHBondContact O-CB 3.36Å; R649-D653 PolarHBondContact O-N 2.88Å; D653-T655 VanDerWaalsContact C-N 3.3Å; D653-T655 PolarHBondContact O-N 3.44Å; D653-L656 PolarHBondContact O-N 3.28Å; D653-D657 PolarHBondContact O-N 3.05Å; D653-K674 WeakPolarHBondContact OD1-CE 3.35Å; D653-K674 IonicContact OD1-NZ 3.13Å; D653-K674 PolarHBondContact OD1-NZ 3.49Å
654N86.6Confident85.2Confident56 Ų5655.9 Ų55.930%0.29929%0.294SS..Hα-helixtrans-60.5-39174.9-70.8-17.5000112.5Y613 R650 C652 I658Y613-N654 HydrophobicContact CD2-CB 4.08Å; Y613-N654 HydrophobicContact CE2-CB 3.8Å; R650-N654 WeakPolarHBondContact O-CB 3.04Å; R650-N654 PolarHBondContact O-N 3.1Å; R650-N654 VanDerWaalsContact O-N 3.15Å; R650-N654 PolarHBondContact O-ND2 3.44Å; C652-N654 VanDerWaalsContact C-N 3.33Å; C652-N654 PolarHBondContact O-N 3.4Å; N654-I658 WeakPolarHBondContact O-CD1 3.37Å; N654-I658 VanDerWaalsContact O-CG1 3.29Å; N654-I658 WeakPolarHBondContact O-CG1 3.13Å; N654-I658 PolarHBondContact O-N 3.29Å
655T87Confident85.4Confident1 Ų159 Ų591%0.00629%0.288CS..Hα-helixtrans-69.1-42.3179.3-55.50000111.1F612 Y613 A616 F637 V651 C652 D653 I658 I659F612-T655 HydrophobicContact CB-CG2 4.48Å; Y613-T655 WeakPolarHBondContact CA-OG1 3.41Å; Y613-T655 VanDerWaalsContact CB-OG1 3.28Å; Y613-T655 WeakPolarHBondContact CB-OG1 3.43Å; A616-T655 HydrophobicContact CB-CG2 4.43Å; F637-T655 HydrophobicContact CD2-CG2 4.12Å; F637-T655 HydrophobicContact CE2-CG2 3.99Å; V651-T655 WeakPolarHBondContact O-CB 3.46Å; V651-T655 PolarHBondContact O-N 3.39Å; V651-T655 PolarHBondContact O-OG1 3.34Å; C652-T655 WeakPolarHBondContact O-CB 3.16Å; C652-T655 PolarHBondContact O-N 3.24Å; D653-T655 VanDerWaalsContact C-N 3.3Å; D653-T655 PolarHBondContact O-N 3.44Å; T655-I658 PolarHBondContact O-N 3.44Å; T655-I659 HydrophobicContact CG2-CD1 4.2Å; T655-I659 WeakPolarHBondContact O-CG1 3.26Å; T655-I659 PolarHBondContact O-N 3.09Å
656L86.4Confident85.5Confident0 Ų057.6 Ų57.60%028%0.279CS..Hα-helixtrans-66.3-37.4177.6-72.5174.4000112.3F637 V638 M641 C652 D653 I658 I659 A660 I670F637-L656 HydrophobicContact CB-CD1 4.22Å; F637-L656 HydrophobicContact CB-CD2 3.67Å; F637-L656 HydrophobicContact CB-CG 3.97Å; F637-L656 HydrophobicContact CD2-CD2 4.39Å; V638-L656 HydrophobicContact CG2-CD1 4.21Å; V638-L656 HydrophobicContact CG2-CD2 4.1Å; M641-L656 HydrophobicContact CE-CD1 4.02Å; M641-L656 HydrophobicContact CG-CD1 3.29Å; M641-L656 HydrophobicContact SD-CD1 3.27Å; M641-L656 WeakPolarHBondContact SD-CD1 3.21Å; C652-L656 WeakPolarHBondContact O-CG 3.49Å; C652-L656 PolarHBondContact O-N 3.39Å; D653-L656 PolarHBondContact O-N 3.28Å; L656-I658 VanDerWaalsContact C-N 3.34Å; L656-I659 HydrophobicContact CD2-CD1 4.44Å; L656-I659 PolarHBondContact O-N 2.69Å; L656-A660 WeakPolarHBondContact O-CB 3.47Å; L656-A660 PolarHBondContact O-N 3.43Å; L656-I670 HydrophobicContact CB-CD1 4.13Å; L656-I670 HydrophobicContact CB-CG2 4.21Å; L656-I670 HydrophobicContact CD2-CD1 3.8Å; L656-I670 HydrophobicContact CD2-CG1 4.06Å; L656-I670 WeakPolarHBondContact O-CD1 3.35Å
657D87.4Confident85.6Confident66 Ų6656.4 Ų56.435%0.35327%0.27SS..Hα-helixtrans-62-43.2174.4-77-14.4000111.2D653 I659 A660 E661 K674D653-D657 PolarHBondContact O-N 3.05Å; D657-I659 VanDerWaalsContact C-N 3.33Å; D657-I659 PolarHBondContact O-N 3.33Å; D657-A660 PolarHBondContact O-N 3.24Å; D657-E661 WeakPolarHBondContact O-CG 3.31Å; D657-E661 PolarHBondContact O-N 2.82Å; D657-K674 IonicContact OD1-NZ 3.46Å; D657-K674 PolarHBondContact OD1-NZ 2.8Å; D657-K674 IonicContact OD2-NZ 2.7Å
658I86.3Confident85.8Confident14 Ų1461.2 Ų61.27%0.07228%0.284CS..Hα-helixtrans-59.5-46.5173-62.6161.3000109.9Y613 A616 F617 N654 T655 L656 A660 E661 Y662Y613-I658 HydrophobicContact CD2-CD1 3.86Å; Y613-I658 HydrophobicContact CE2-CD1 3.73Å; A616-I658 HydrophobicContact CB-CB 4.31Å; A616-I658 HydrophobicContact CB-CD1 4.42Å; A616-I658 HydrophobicContact CB-CG2 3.77Å; F617-I658 HydrophobicContact CD1-CD1 4.29Å; F617-I658 HydrophobicContact CD2-CD1 4.08Å; F617-I658 HydrophobicContact CE1-CD1 3.74Å; F617-I658 HydrophobicContact CE1-CG1 4.28Å; F617-I658 HydrophobicContact CE2-CD1 3.5Å; F617-I658 VanDerWaalsContact CE2-CD1 3.5Å; F617-I658 HydrophobicContact CG-CD1 4.45Å; F617-I658 HydrophobicContact CZ-CD1 3.31Å; F617-I658 HydrophobicContact CZ-CG1 4.25Å; N654-I658 WeakPolarHBondContact O-CD1 3.37Å; N654-I658 VanDerWaalsContact O-CG1 3.29Å; N654-I658 WeakPolarHBondContact O-CG1 3.13Å; N654-I658 PolarHBondContact O-N 3.29Å; T655-I658 PolarHBondContact O-N 3.44Å; L656-I658 VanDerWaalsContact C-N 3.34Å; I658-A660 VanDerWaalsContact C-N 3.35Å; I658-A660 PolarHBondContact O-N 2.66Å; I658-E661 PolarHBondContact O-N 3.19Å; I658-Y662 HydrophobicContact CG2-CD2 4.18Å; I658-Y662 HydrophobicContact CG2-CE2 4.1Å; I658-Y662 WeakPolarHBondContact O-CD2 3.37Å
659I86.1Confident85.7Confident1 Ų166.3 Ų66.31%0.00531%0.306CS..Hα-helixtrans-60.7-44.7179.1-68165.8000111.2I626 P634 F637 T655 L656 D657 E661 Y662 D663 W666 I670I626-I659 HydrophobicContact CD1-CG2 4.13Å; I626-I659 HydrophobicContact CG1-CG2 4.22Å; P634-I659 HydrophobicContact CB-CD1 4.31Å; P634-I659 HydrophobicContact CG-CD1 4.39Å; F637-I659 HydrophobicContact CD2-CD1 4.14Å; F637-I659 HydrophobicContact CE2-CD1 4.34Å; T655-I659 HydrophobicContact CG2-CD1 4.2Å; T655-I659 WeakPolarHBondContact O-CG1 3.26Å; T655-I659 PolarHBondContact O-N 3.09Å; L656-I659 HydrophobicContact CD2-CD1 4.44Å; L656-I659 PolarHBondContact O-N 2.69Å; D657-I659 VanDerWaalsContact C-N 3.33Å; D657-I659 PolarHBondContact O-N 3.33Å; I659-E661 VanDerWaalsContact C-N 3.27Å; I659-E661 PolarHBondContact O-N 2.93Å; I659-Y662 PolarHBondContact O-N 3.29Å; I659-Y662 VanDerWaalsContact O-N 3.09Å; I659-D663 PolarHBondContact O-N 3.06Å; I659-W666 HydrophobicContact CG2-CB 3.88Å; I659-W666 HydrophobicContact CG2-CG 4.21Å; I659-I670 HydrophobicContact CB-CD1 4.43Å; I659-I670 HydrophobicContact CG2-CD1 4.21Å
660A86.2Confident85.7Confident27 Ų2762 Ų6222%0.22329%0.29CS..Hα-helixtrans-63.4-29.7179.900000113L656 D657 I658 Y662 A667 I670L656-A660 WeakPolarHBondContact O-CB 3.47Å; L656-A660 PolarHBondContact O-N 3.43Å; D657-A660 PolarHBondContact O-N 3.24Å; I658-A660 VanDerWaalsContact C-N 3.35Å; I658-A660 PolarHBondContact O-N 2.66Å; A660-Y662 VanDerWaalsContact C-N 3.28Å; A660-Y662 PolarHBondContact O-N 2.81Å; A660-A667 HydrophobicContact CB-CB 4.09Å; A660-A667 WeakPolarHBondContact O-CB 3.5Å; A660-I670 HydrophobicContact CB-CD1 4.09Å
661E87.5Confident85.8Confident149 Ų14960.7 Ų60.770%0.69629%0.291SS*.Hα-helixtrans-67.3-27.7174.2-75.1-178.3177.300113.2D657 I658 I659D657-E661 WeakPolarHBondContact O-CG 3.31Å; D657-E661 PolarHBondContact O-N 2.82Å; I658-E661 PolarHBondContact O-N 3.19Å; I659-E661 VanDerWaalsContact C-N 3.27Å; I659-E661 PolarHBondContact O-N 2.93Å
662Y84.2Confident85.8Confident129 Ų12963.6 Ų63.651%0.50631%0.31SS..Hα-helixtrans-111.6-11.1-170.7-67.9-73.4000115R622 I658 I659 A660R622-Y662 VanDerWaalsContact CD-CD2 3.43Å; R622-Y662 VanDerWaalsContact NE-CG 3.25Å; I658-Y662 HydrophobicContact CG2-CD2 4.18Å; I658-Y662 HydrophobicContact CG2-CE2 4.1Å; I658-Y662 WeakPolarHBondContact O-CD2 3.37Å; I659-Y662 PolarHBondContact O-N 3.29Å; I659-Y662 VanDerWaalsContact O-N 3.09Å; A660-Y662 VanDerWaalsContact C-N 3.28Å; A660-Y662 PolarHBondContact O-N 2.81Å
663D84.6Confident85.6Confident31 Ų3164.6 Ų64.617%0.16632%0.317CS..  trans-136.1115.8177.6-172.1-87.4000112.5I626 I659 E665 W666 A667I626-D663 HydrophobicContact CD1-CB 4.17Å; I626-D663 HydrophobicContact CG2-CB 3.91Å; I659-D663 PolarHBondContact O-N 3.06Å; D663-E665 VanDerWaalsContact C-N 3.33Å; D663-E665 PolarHBondContact O-N 3.35Å; D663-E665 PolarHBondContact OD1-N 3.07Å; D663-E665 VanDerWaalsContact OD1-N 3.13Å; D663-W666 HydrophobicContact CB-CB 4.23Å; D663-W666 PolarHBondContact O-N 3.07Å; D663-W666 VanDerWaalsContact OD1-CD1 3.31Å; D663-W666 PolarHBondContact OD1-N 3.5Å; D663-A667 VanDerWaalsContact O-CB 3.29Å; D663-A667 WeakPolarHBondContact O-CB 3.46Å; D663-A667 PolarHBondContact O-N 3.03Å
664E84.2Confident85.5Confident159 Ų15964.6 Ų64.674%0.74332%0.315SS*.Hα-helixtrans-67.9-28.7-175.1-69-173.1-177.400113.8K668E664-K668 WeakPolarHBondContact O-CG 3.47Å; E664-K668 PolarHBondContact O-N 2.89Å
665E84.4Confident85.4Confident140 Ų14066.6 Ų66.665%0.65432%0.321SS*.Hα-helixtrans-74.4-45.4179.3-67.1-169.9175.300110.6D663 K668 K669D663-E665 VanDerWaalsContact C-N 3.33Å; D663-E665 PolarHBondContact O-N 3.35Å; D663-E665 PolarHBondContact OD1-N 3.07Å; D663-E665 VanDerWaalsContact OD1-N 3.13Å; E665-K668 PolarHBondContact O-N 3.34Å; E665-K669 WeakPolarHBondContact O-CG 3.24Å; E665-K669 PolarHBondContact O-N 3.38Å; E665-K669 VanDerWaalsContact O-N 3.16Å
666W85.4Confident85.2Confident20 Ų2068.3 Ų68.38%0.07633%0.333CS..Hα-helixtrans-67-36.7173.3-80.4107.6000112.4P631 P634 A635 I659 D663 K668 K669 I670P631-W666 HydrophobicContact CB-CH2 4.42Å; P631-W666 HydrophobicContact CB-CZ2 3.75Å; P634-W666 HydrophobicContact CB-CD2 3.86Å; P634-W666 HydrophobicContact CB-CE3 3.81Å; P634-W666 HydrophobicContact CB-CH2 3.65Å; P634-W666 HydrophobicContact CB-CZ2 3.68Å; P634-W666 HydrophobicContact CB-CZ3 3.71Å; P634-W666 HydrophobicContact CG-CD2 4.45Å; P634-W666 HydrophobicContact CG-CH2 4.36Å; P634-W666 HydrophobicContact CG-CZ2 3.93Å; A635-W666 HydrophobicContact CB-CH2 4.08Å; I659-W666 HydrophobicContact CG2-CB 3.88Å; I659-W666 HydrophobicContact CG2-CG 4.21Å; D663-W666 HydrophobicContact CB-CB 4.23Å; D663-W666 PolarHBondContact O-N 3.07Å; D663-W666 VanDerWaalsContact OD1-CD1 3.31Å; D663-W666 PolarHBondContact OD1-N 3.5Å; W666-K668 VanDerWaalsContact C-N 3.28Å; W666-K668 PolarHBondContact O-N 3.32Å; W666-K669 HydrophobicContact CD2-CD 4.33Å; W666-K669 HydrophobicContact CE3-CB 4.16Å; W666-K669 HydrophobicContact CE3-CD 3.93Å; W666-K669 HydrophobicContact CZ3-CD 4.05Å; W666-K669 PolarHBondContact O-N 3.03Å; W666-K669 VanDerWaalsContact O-N 3.12Å; W666-I670 HydrophobicContact CB-CD1 4.23Å; W666-I670 HydrophobicContact CE3-CG1 4.49Å; W666-I670 WeakPolarHBondContact O-CB 3.44Å; W666-I670 WeakPolarHBondContact O-CD1 3.36Å; W666-I670 WeakPolarHBondContact O-CG1 3.23Å; W666-I670 PolarHBondContact O-N 3.45Å
667A85.8Confident84.7Confident28 Ų2874.3 Ų74.323%0.23136%0.356CS..Hα-helixtrans-54-45.9174.100000111.9A660 D663 Q671A660-A667 HydrophobicContact CB-CB 4.09Å; A660-A667 WeakPolarHBondContact O-CB 3.5Å; D663-A667 VanDerWaalsContact O-CB 3.29Å; D663-A667 WeakPolarHBondContact O-CB 3.46Å; D663-A667 PolarHBondContact O-N 3.03Å; A667-Q671 WeakPolarHBondContact O-CB 3.29Å; A667-Q671 PolarHBondContact O-N 3.04Å
668K86.4Confident84.3Confident135 Ų13580.5 Ų80.559%0.58738%0.376SS*.Hα-helixtrans-64.9-45.5176.1-70.7172.9-173.9168.40111.9E664 E665 W666 Q671 T672E664-K668 WeakPolarHBondContact O-CG 3.47Å; E664-K668 PolarHBondContact O-N 2.89Å; E665-K668 PolarHBondContact O-N 3.34Å; W666-K668 VanDerWaalsContact C-N 3.28Å; W666-K668 PolarHBondContact O-N 3.32Å; K668-Q671 PolarHBondContact O-N 3.45Å; K668-T672 WeakPolarHBondContact O-CB 3.14Å; K668-T672 PolarHBondContact O-N 3.15Å; K668-T672 PolarHBondContact O-OG1 2.84Å
669K84.6Confident84.3Confident107 Ų10781.6 Ų81.647%0.46538%0.382SS..Hα-helixtrans-62-46.7179.3-71.4174.2-179171.70112.2E665 W666 T672 A673E665-K669 WeakPolarHBondContact O-CG 3.24Å; E665-K669 PolarHBondContact O-N 3.38Å; E665-K669 VanDerWaalsContact O-N 3.16Å; W666-K669 HydrophobicContact CD2-CD 4.33Å; W666-K669 HydrophobicContact CE3-CB 4.16Å; W666-K669 HydrophobicContact CE3-CD 3.93Å; W666-K669 HydrophobicContact CZ3-CD 4.05Å; W666-K669 PolarHBondContact O-N 3.03Å; W666-K669 VanDerWaalsContact O-N 3.12Å; K669-T672 PolarHBondContact O-N 3.39Å; K669-A673 WeakPolarHBondContact O-CB 3.34Å; K669-A673 PolarHBondContact O-N 2.63Å
670I85.5Confident84Confident4 Ų484.2 Ų84.22%0.02140%0.4CS..Hα-helixtrans-64.4-44.5178.6-65.6164.3000109.9V638 L656 I659 A660 W666 T672 A673 K674V638-I670 HydrophobicContact CG2-CG1 4.11Å; L656-I670 HydrophobicContact CB-CD1 4.13Å; L656-I670 HydrophobicContact CB-CG2 4.21Å; L656-I670 HydrophobicContact CD2-CD1 3.8Å; L656-I670 HydrophobicContact CD2-CG1 4.06Å; L656-I670 WeakPolarHBondContact O-CD1 3.35Å; I659-I670 HydrophobicContact CB-CD1 4.43Å; I659-I670 HydrophobicContact CG2-CD1 4.21Å; A660-I670 HydrophobicContact CB-CD1 4.09Å; W666-I670 HydrophobicContact CB-CD1 4.23Å; W666-I670 HydrophobicContact CE3-CG1 4.49Å; W666-I670 WeakPolarHBondContact O-CB 3.44Å; W666-I670 WeakPolarHBondContact O-CD1 3.36Å; W666-I670 WeakPolarHBondContact O-CG1 3.23Å; W666-I670 PolarHBondContact O-N 3.45Å; I670-T672 PolarHBondContact O-N 3.35Å; I670-A673 PolarHBondContact O-N 2.96Å; I670-K674 HydrophobicContact CG2-CD 4.25Å; I670-K674 HydrophobicContact CG2-CG 4.45Å; I670-K674 WeakPolarHBondContact O-CB 3.38Å; I670-K674 WeakPolarHBondContact O-CG 3.44Å; I670-K674 PolarHBondContact O-N 3.28Å
671Q85.9Confident83.6Confident141 Ų14190.2 Ų90.266%0.65942%0.424SS*.Hα-helixtrans-61.6-43.7176.3-174.1177.425.200112A667 K668 K674 F675A667-Q671 WeakPolarHBondContact O-CB 3.29Å; A667-Q671 PolarHBondContact O-N 3.04Å; K668-Q671 PolarHBondContact O-N 3.45Å; Q671-K674 PolarHBondContact O-N 2.86Å; Q671-F675 VanDerWaalsContact O-CB 3.32Å; Q671-F675 WeakPolarHBondContact O-CB 3.46Å; Q671-F675 PolarHBondContact O-N 2.8Å
672T85.2Confident83.4Confident68 Ų6889.7 Ų89.742%0.41742%0.415SS..Hα-helixtrans-61.7-45.6175.2-62.50000111.1K668 K669 I670 F675 C676 L711K668-T672 WeakPolarHBondContact O-CB 3.14Å; K668-T672 PolarHBondContact O-N 3.15Å; K668-T672 PolarHBondContact O-OG1 2.84Å; K669-T672 PolarHBondContact O-N 3.39Å; I670-T672 PolarHBondContact O-N 3.35Å; T672-F675 PolarHBondContact O-N 3.2Å; T672-C676 WeakPolarHBondContact O-CB 3.19Å; T672-C676 PolarHBondContact O-N 2.99Å; T672-C676 PolarHBondContact O-SG 2.81Å; T672-L711 HydrophobicContact CG2-CD1 3.96Å
673A83.1Confident83.3Confident20 Ų2085 Ų8517%0.16540%0.399CS..Hα-helixtrans-61.9-47.4177.200000112.2V638 K669 I670 F675 C676 Y677V638-A673 HydrophobicContact CG1-CB 3.49Å; V638-A673 VanDerWaalsContact CG1-CB 3.49Å; K669-A673 WeakPolarHBondContact O-CB 3.34Å; K669-A673 PolarHBondContact O-N 2.63Å; I670-A673 PolarHBondContact O-N 2.96Å; A673-F675 VanDerWaalsContact C-N 3.29Å; A673-F675 PolarHBondContact O-N 3.12Å; A673-C676 PolarHBondContact O-N 3.29Å; A673-Y677 WeakPolarHBondContact O-CB 3.36Å; A673-Y677 PolarHBondContact O-N 3.48Å
674K83.1Confident83Confident61 Ų6189.3 Ų89.327%0.26542%0.418SS..Hα-helixtrans-55.4-44173.5-75.7-174.2175.5-165.40111.5M641 D653 D657 I670 Q671 Y678M641-K674 HydrophobicContact CE-CD 4Å; M641-K674 HydrophobicContact CE-CG 3.39Å; D653-K674 WeakPolarHBondContact OD1-CE 3.35Å; D653-K674 IonicContact OD1-NZ 3.13Å; D653-K674 PolarHBondContact OD1-NZ 3.49Å; D657-K674 IonicContact OD1-NZ 3.46Å; D657-K674 PolarHBondContact OD1-NZ 2.8Å; D657-K674 IonicContact OD2-NZ 2.7Å; I670-K674 HydrophobicContact CG2-CD 4.25Å; I670-K674 HydrophobicContact CG2-CG 4.45Å; I670-K674 WeakPolarHBondContact O-CB 3.38Å; I670-K674 WeakPolarHBondContact O-CG 3.44Å; I670-K674 PolarHBondContact O-N 3.28Å; Q671-K674 PolarHBondContact O-N 2.86Å; K674-Y678 WeakPolarHBondContact O-CB 3.41Å; K674-Y678 PolarHBondContact O-N 3.4Å
675F85.1Confident82.7Confident97 Ų9787.4 Ų87.443%0.42541%0.411SS..Hα-helixtrans-66.3-49178.3176.8-90.4000112.4Q671 T672 A673 Y677 Y678 N679 L711Q671-F675 VanDerWaalsContact O-CB 3.32Å; Q671-F675 WeakPolarHBondContact O-CB 3.46Å; Q671-F675 PolarHBondContact O-N 2.8Å; T672-F675 PolarHBondContact O-N 3.2Å; A673-F675 VanDerWaalsContact C-N 3.29Å; A673-F675 PolarHBondContact O-N 3.12Å; F675-Y677 PolarHBondContact O-N 2.84Å; F675-Y678 PolarHBondContact O-N 3.31Å; F675-N679 WeakPolarHBondContact CD2-ND2 3.32Å; F675-N679 VanDerWaalsContact CE2-ND2 3.27Å; F675-N679 WeakPolarHBondContact CE2-ND2 3.46Å; F675-N679 WeakPolarHBondContact O-CB 3.27Å; F675-N679 PolarHBondContact O-N 2.86Å; F675-N679 PolarHBondContact O-ND2 3.33Å; F675-L711 HydrophobicContact CE1-CD2 4.47Å
676C82.9Confident82.4Confident38 Ų3882.5 Ų82.526%0.25739%0.39SS..Hα-helixtrans-59.3-40.1180-71.50000111.2T672 A673 N679 S680 L683T672-C676 WeakPolarHBondContact O-CB 3.19Å; T672-C676 PolarHBondContact O-N 2.99Å; T672-C676 PolarHBondContact O-SG 2.81Å; A673-C676 PolarHBondContact O-N 3.29Å; C676-N679 CarbonylContact O-C 3.58Å; C676-S680 VanDerWaalsContact O-CA 3.22Å; C676-S680 WeakPolarHBondContact O-CA 3.33Å; C676-S680 PolarHBondContact O-N 3.16Å; C676-L683 HydrophobicContact CB-CD1 3.98Å; C676-L683 WeakPolarHBondContact O-CD1 3.29Å
677Y74.6Confident81.9Confident125 Ų12586.8 Ų86.849%0.4941%0.411SS..Hα-helixtrans-67.6-51.7176.6177.5-104.6000113.1H642 A673 F675 N679 S680H642-Y677 HydrophobicContact CB-CD2 4.46Å; H642-Y677 HydrophobicContact CB-CE2 4.03Å; H642-Y677 AromaticContact CD2-CD2 3.71Å; H642-Y677 WeakPolarHBondContact CE1-CB 3.3Å; H642-Y677 AromaticContact CE1-CD1 3.36Å; H642-Y677 WeakPolarHBondContact CE1-CD1 3.24Å; H642-Y677 AromaticContact CE1-CD2 3.3Å; H642-Y677 WeakPolarHBondContact CE1-CD2 3.42Å; H642-Y677 AromaticContact CE1-CE1 3.9Å; H642-Y677 AromaticContact CE1-CE2 3.85Å; H642-Y677 AromaticContact CE1-CG 3.01Å; H642-Y677 AromaticContact CG-CD2 3.55Å; H642-Y677 AromaticContact CG-CE2 3.53Å; H642-Y677 AromaticContact ND1-CD1 3.56Å; H642-Y677 AromaticContact ND1-CD2 3.29Å; H642-Y677 VanDerWaalsContact ND1-CD2 3.29Å; H642-Y677 WeakPolarHBondContact ND1-CD2 3.19Å; H642-Y677 AromaticContact ND1-CE1 3.59Å; H642-Y677 AromaticContact ND1-CE2 3.33Å; H642-Y677 VanDerWaalsContact ND1-CE2 3.33Å; H642-Y677 WeakPolarHBondContact ND1-CE2 3.46Å; H642-Y677 AromaticContact ND1-CG 3.39Å; H642-Y677 AromaticContact ND1-CZ 3.46Å; H642-Y677 WeakPolarHBondContact NE2-CB 3.36Å; H642-Y677 AromaticContact NE2-CD2 3.54Å; H642-Y677 AromaticContact NE2-CG 3.5Å; A673-Y677 WeakPolarHBondContact O-CB 3.36Å; A673-Y677 PolarHBondContact O-N 3.48Å; F675-Y677 PolarHBondContact O-N 2.84Å; Y677-N679 PolarHBondContact O-N 3.47Å; Y677-N679 VanDerWaalsContact O-N 3.11Å; Y677-S680 VanDerWaalsContact O-CB 3.26Å; Y677-S680 WeakPolarHBondContact O-CB 3.48Å; Y677-S680 PolarHBondContact O-N 2.96Å; Y677-S680 PolarHBondContact O-OG 2.9Å
678Y80.1Confident80.9Confident197 Ų19789.5 Ų89.577%0.77342%0.421SS*.Hα-helixtrans-55-33.8179.2-178.7-90.6000111.6K674 F675K674-Y678 WeakPolarHBondContact O-CB 3.41Å; K674-Y678 PolarHBondContact O-N 3.4Å; F675-Y678 PolarHBondContact O-N 3.31Å
679N85.1Confident79.5Confident37 Ų3792 Ų9220%0.19843%0.427CS..THydrogen-bonded Turntrans-103.716.5179.9-59.2-78.9000113.6F675 C676 Y677 Q681 W682 L683F675-N679 WeakPolarHBondContact CD2-ND2 3.32Å; F675-N679 VanDerWaalsContact CE2-ND2 3.27Å; F675-N679 WeakPolarHBondContact CE2-ND2 3.46Å; F675-N679 WeakPolarHBondContact O-CB 3.27Å; F675-N679 PolarHBondContact O-N 2.86Å; F675-N679 PolarHBondContact O-ND2 3.33Å; C676-N679 CarbonylContact O-C 3.58Å; Y677-N679 PolarHBondContact O-N 3.47Å; Y677-N679 VanDerWaalsContact O-N 3.11Å; N679-Q681 PolarHBondContact O-N 3.05Å; N679-W682 HydrophobicContact CB-CB 4.43Å; N679-W682 HydrophobicContact CB-CE3 4.39Å; N679-W682 CarbonylContact O-C 3.54Å; N679-W682 WeakPolarHBondContact O-CA 3.42Å; N679-W682 WeakPolarHBondContact O-CB 3.49Å; N679-W682 PolarHBondContact O-N 3.13Å; N679-L683 HydrophobicContact CB-CG 4.48Å; N679-L683 PolarHBondContact O-N 2.9Å
680S80.3Confident78.2Confident55 Ų5592.4 Ų92.439%0.38543%0.431SS..Hα-helixtrans-55.3-46-171.749.20000113.4C676 Y677 W682 L683 E684C676-S680 VanDerWaalsContact O-CA 3.22Å; C676-S680 WeakPolarHBondContact O-CA 3.33Å; C676-S680 PolarHBondContact O-N 3.16Å; Y677-S680 VanDerWaalsContact O-CB 3.26Å; Y677-S680 WeakPolarHBondContact O-CB 3.48Å; Y677-S680 PolarHBondContact O-N 2.96Å; Y677-S680 PolarHBondContact O-OG 2.9Å; S680-W682 VanDerWaalsContact C-N 3.3Å; S680-W682 PolarHBondContact O-N 3.42Å; S680-L683 PolarHBondContact O-N 3.24Å; S680-E684 WeakPolarHBondContact O-CB 3.47Å; S680-E684 PolarHBondContact O-N 3.25Å
681Q76.9Confident76.6Confident154 Ų15498.9 Ų98.972%0.7247%0.465SS*.Hα-helixtrans-62.2-37.3175.3-66.5-178-1.500112.5N679 M685N679-Q681 PolarHBondContact O-N 3.05Å; Q681-M685 WeakPolarHBondContact O-CG 3.34Å; Q681-M685 PolarHBondContact O-N 3.43Å; Q681-M685 VanDerWaalsContact O-N 3.15Å
682W84.1Confident74.7Confident138 Ų13898.7 Ų98.752%0.52347%0.468SS..Hα-helixtrans-70.9-42.2177.117786.5000111.3N679 S680 M685 V686N679-W682 HydrophobicContact CB-CB 4.43Å; N679-W682 HydrophobicContact CB-CE3 4.39Å; N679-W682 CarbonylContact O-C 3.54Å; N679-W682 WeakPolarHBondContact O-CA 3.42Å; N679-W682 WeakPolarHBondContact O-CB 3.49Å; N679-W682 PolarHBondContact O-N 3.13Å; S680-W682 VanDerWaalsContact C-N 3.3Å; S680-W682 PolarHBondContact O-N 3.42Å; W682-M685 WeakPolarHBondContact O-CB 3.26Å; W682-M685 PolarHBondContact O-N 2.94Å; W682-V686 HydrophobicContact CD2-CG2 3.96Å; W682-V686 HydrophobicContact CE3-CG2 4.28Å; W682-V686 HydrophobicContact CH2-CG2 4.07Å; W682-V686 HydrophobicContact CZ2-CG2 3.72Å; W682-V686 HydrophobicContact CZ3-CG2 4.33Å; W682-V686 VanDerWaalsContact O-CG2 3.28Å; W682-V686 WeakPolarHBondContact O-CG2 3.22Å; W682-V686 PolarHBondContact O-N 3.47Å
683L82Confident72.7Confident31 Ų31103.3 Ų103.316%0.16249%0.485CS..Hα-helixtrans-61.7-45.3176.2-73172.5000111.3C676 N679 S680 M685 V686 E687C676-L683 HydrophobicContact CB-CD1 3.98Å; C676-L683 WeakPolarHBondContact O-CD1 3.29Å; N679-L683 HydrophobicContact CB-CG 4.48Å; N679-L683 PolarHBondContact O-N 2.9Å; S680-L683 PolarHBondContact O-N 3.24Å; L683-M685 VanDerWaalsContact C-N 3.3Å; L683-M685 PolarHBondContact O-N 2.82Å; L683-V686 PolarHBondContact O-N 2.91Å; L683-V686 VanDerWaalsContact O-N 3.08Å; L683-E687 PolarHBondContact O-N 3.31Å
684E77.6Confident70.6Confident120 Ų120107.8 Ų107.856%0.56151%0.513SS*.Hα-helixtrans-60-39.8175.7-172.1-178-177.500111.7S680 N688S680-E684 WeakPolarHBondContact O-CB 3.47Å; S680-E684 PolarHBondContact O-N 3.25Å; E684-N688 VanDerWaalsContact O-CB 3.31Å; E684-N688 WeakPolarHBondContact O-CB 3.49Å; E684-N688 VanDerWaalsContact O-CG 3.28Å; E684-N688 PolarHBondContact O-N 3.06Å; E684-N688 PolarHBondContact O-ND2 2.98Å
685M78.1Confident68.8Low120 Ų120114.7 Ų114.759%0.59154%0.543SS*.Hα-helixtrans-67.4-34.2174.5-72.6177.873.400113.3Q681 W682 L683 R689Q681-M685 WeakPolarHBondContact O-CG 3.34Å; Q681-M685 PolarHBondContact O-N 3.43Å; Q681-M685 VanDerWaalsContact O-N 3.15Å; W682-M685 WeakPolarHBondContact O-CB 3.26Å; W682-M685 PolarHBondContact O-N 2.94Å; L683-M685 VanDerWaalsContact C-N 3.3Å; L683-M685 PolarHBondContact O-N 2.82Å; M685-R689 WeakPolarHBondContact O-CG 3.45Å; M685-R689 PolarHBondContact O-N 3.36Å
686V79Confident66.6Low37 Ų37118.3 Ų118.322%0.22457%0.566CS.*Hα-helixtrans-75.5-40178.9170.40000111.2W682 L683 R689 Q690W682-V686 HydrophobicContact CD2-CG2 3.96Å; W682-V686 HydrophobicContact CE3-CG2 4.28Å; W682-V686 HydrophobicContact CH2-CG2 4.07Å; W682-V686 HydrophobicContact CZ2-CG2 3.72Å; W682-V686 HydrophobicContact CZ3-CG2 4.33Å; W682-V686 VanDerWaalsContact O-CG2 3.28Å; W682-V686 WeakPolarHBondContact O-CG2 3.22Å; W682-V686 PolarHBondContact O-N 3.47Å; L683-V686 PolarHBondContact O-N 2.91Å; L683-V686 VanDerWaalsContact O-N 3.08Å; V686-R689 PolarHBondContact O-N 3.36Å; V686-Q690 PolarHBondContact O-N 2.98Å
687E73.8Confident64.6Low110 Ų110122.4 Ų122.451%0.51460%0.595SS.*Hα-helixtrans-66.1-44.3175.2-76.2-175.8163.800111.9L683 R689 Q690 L691L683-E687 PolarHBondContact O-N 3.31Å; E687-R689 VanDerWaalsContact C-N 3.27Å; E687-R689 PolarHBondContact O-N 3.04Å; E687-Q690 PolarHBondContact O-N 3.36Å; E687-L691 PolarHBondContact O-N 3.35Å
688N64.8Low62.6Low84 Ų84120 Ų12045%0.44961%0.608SS.*Hα-helixtrans-64.3-30.5177.1-75.8-33.7000112.8E684 Q690 L691E684-N688 VanDerWaalsContact O-CB 3.31Å; E684-N688 WeakPolarHBondContact O-CB 3.49Å; E684-N688 VanDerWaalsContact O-CG 3.28Å; E684-N688 PolarHBondContact O-N 3.06Å; E684-N688 PolarHBondContact O-ND2 2.98Å; N688-Q690 VanDerWaalsContact C-N 3.33Å; N688-Q690 PolarHBondContact O-N 2.91Å; N688-L691 PolarHBondContact O-N 2.83Å
689R58.8Low60.7Low187 Ų187118 Ų11871%0.70661%0.611SS**Hα-helixtrans-69.1-25.8173-83.4179.2177.1-175.61.3114M685 V686 E687M685-R689 WeakPolarHBondContact O-CG 3.45Å; M685-R689 PolarHBondContact O-N 3.36Å; V686-R689 PolarHBondContact O-N 3.36Å; E687-R689 VanDerWaalsContact C-N 3.27Å; E687-R689 PolarHBondContact O-N 3.04Å
690Q55.5Low58.2Low116 Ų116123.7 Ų123.754%0.54264%0.641SS.*Hα-helixtrans-79.3-22.8176.5-70.6-177.79.900112.6V686 E687 N688V686-Q690 PolarHBondContact O-N 2.98Å; E687-Q690 PolarHBondContact O-N 3.36Å; N688-Q690 VanDerWaalsContact C-N 3.33Å; N688-Q690 PolarHBondContact O-N 2.91Å
691L52.8Low56.4Low140 Ų140124.7 Ų124.773%0.73366%0.66SS**Hα-helixtrans-81.9-20.9177.7-72.1164.9000113.5E687 N688E687-L691 PolarHBondContact O-N 3.35Å; N688-L691 PolarHBondContact O-N 2.83Å
692D45.2Very low54.2Low138 Ų138126.4 Ų126.474%0.73867%0.668SS**SBendtrans-89.94-177.4-87-19.3000114.7P694D692-P694 VanDerWaalsContact O-CD 3.29Å; D692-P694 WeakPolarHBondContact O-CD 3.46Å
693E44.1Very low51.5Low165 Ų165125.7 Ų125.777%0.77168%0.684SS**  trans-85.2113.4169.7-81.1-142.9156.400111.5F695E693-F695 PolarHBondContact O-N 2.84Å
694P39.1Very low49.5Very low114 Ų114133.9 Ų133.974%0.7472%0.719SS**  trans-71.7128.6169.8-6.324.1000109.2D692 L696D692-P694 VanDerWaalsContact O-CD 3.29Å; D692-P694 WeakPolarHBondContact O-CD 3.46Å; P694-L696 PolarHBondContact O-N 3.11Å
695F44.8Very low47.6Very low205 Ų205134 Ų13490%0.89973%0.733SS**  trans-25.8108.1161-97.3-102.2000112.8E693E693-F695 PolarHBondContact O-N 2.84Å
696L38.8Very low45.3Very low174 Ų174131.5 Ų131.591%0.91174%0.738SS**  trans-112.4111.9153.7-83.7172.7000108.3P694P694-L696 PolarHBondContact O-N 3.11Å
697S40.4Very low43.2Very low123 Ų123138.3 Ų138.386%0.8677%0.774SS**  trans-46.1131.5179.4-46.80000113.9
698G33.3Very low41.2Very low75 Ų75141.9 Ų141.977%0.77378%0.782SS**  trans-152100.5161.200000108.3D700G698-D700 PolarHBondContact O-N 2.82Å
699D39.5Very low40.2Very low154 Ų154143.5 Ų143.582%0.82479%0.791SS**  trans-51.4117.7176.7-171.733.8000111.7
700D32.6Very low39.6Very low158 Ų158136.8 Ų136.885%0.84577%0.77SS**  trans-168.2114.8134-90.2-29.9000108G698 E702G698-D700 PolarHBondContact O-N 2.82Å; D700-E702 PolarHBondContact O-N 3.29Å
701G42.8Very low39.1Very low75 Ų75135.2 Ų135.277%0.77377%0.766SS**  trans-72124.9-169.600000113.8
702E30.6Very low38.6Very low190 Ų190134 Ų13489%0.88876%0.756SS**  trans-149.6134.5137.1-107.5179.3-167.900109D700 F704D700-E702 PolarHBondContact O-N 3.29Å; E702-F704 PolarHBondContact O-N 2.93Å
703S28.6Very low38.4Very low123 Ų123134.1 Ų134.186%0.8675%0.746SS**  trans-68.5125.6-163.4-520000113.4S705S703-S705 PolarHBondContact O-N 3.29Å
704F40Very low38.1Very low203 Ų203131.1 Ų131.189%0.8974%0.741SS**  trans-58.9113.6161.7-106.8-104.6000110.7E702E702-F704 PolarHBondContact O-N 2.93Å
705S38.1Very low38.1Very low122 Ų122132.2 Ų132.285%0.85374%0.741SS**  trans-166.196.9154.1-76.90000108.8S703S703-S705 PolarHBondContact O-N 3.29Å
706G29.3Very low37.9Very low69 Ų69127.8 Ų127.871%0.71173%0.726SS**  trans175.399.517200000112.2R708G706-R708 PolarHBondContact O-N 3.4Å
707N35Very low37.9Very low180 Ų180128 Ų12896%0.96372%0.72SS**  trans-44.4106.5162-93.80.3000110
708R32Very low37.9Very low184 Ų184131.7 Ų131.769%0.69472%0.716SS**  trans-128.3125.7163.9-116.5-172.4170165.16.6108.5G706 E712G706-R708 PolarHBondContact O-N 3.4Å; R708-E712 IonicContact CZ-OE2 3.84Å; R708-E712 IonicContact NE-OE2 3Å; R708-E712 PolarHBondContact NE-OE2 3.26Å; R708-E712 IonicContact NH2-OE2 4Å
709D43.6Very low37.9Very low118 Ų118133.5 Ų133.563%0.63172%0.723SS**  trans-49.1136.1178.5-131-28.2000110.4L711 E712D709-L711 PolarHBondContact O-N 3.15Å; D709-E712 HydrophobicContact CB-CG 4.31Å; D709-E712 PolarHBondContact O-N 2.91Å
710V45.5Very low37.8Very low46 Ų46129.7 Ų129.728%0.27971%0.714SS.*G310 helixtrans-56.6-24.7-177.1165.70000111.7
711L45.9Very low37.9Very low84 Ų84130.7 Ų130.744%0.4472%0.719SS.*G310 helixtrans-81.2-12.1179-65.9169.3000114.9T672 F675 D709 R713T672-L711 HydrophobicContact CG2-CD1 3.96Å; F675-L711 HydrophobicContact CE1-CD2 4.47Å; D709-L711 PolarHBondContact O-N 3.15Å; L711-R713 VanDerWaalsContact C-N 3.34Å
712E42.5Very low37.2Very low115 Ų115130.3 Ų130.354%0.53772%0.715SS.*G310 helixtrans-872.5177.8-73.1-159.5161.600113.8R708 D709 P714R708-E712 IonicContact CZ-OE2 3.84Å; R708-E712 IonicContact NE-OE2 3Å; R708-E712 PolarHBondContact NE-OE2 3.26Å; R708-E712 IonicContact NH2-OE2 4Å; D709-E712 HydrophobicContact CB-CG 4.31Å; D709-E712 PolarHBondContact O-N 2.91Å; E712-P714 WeakPolarHBondContact O-CD 3.27Å
713R40.5Very low37.2Very low140 Ų140129 Ų12953%0.52871%0.712SS.*  trans-82.8121.6-179.3-67.9-168.3-178.4-177.43.1111.5L711 D715L711-R713 VanDerWaalsContact C-N 3.34Å; R713-D715 PolarHBondContact O-N 2.96Å; R713-D715 VanDerWaalsContact O-N 3.13Å
714P36.8Very low37.2Very low102 Ų102130.8 Ų130.866%0.66271%0.712SS**G310 helixtrans-62.5-18.3176.9-19.431.5000114E712 L716 F717E712-P714 WeakPolarHBondContact O-CD 3.27Å; P714-L716 VanDerWaalsContact C-N 3.28Å; P714-L716 PolarHBondContact O-N 3.08Å; P714-F717 PolarHBondContact O-N 3Å
715D39.1Very low36.5Very low137 Ų137126.7 Ų126.773%0.73371%0.708SS**G310 helixtrans-80-5.6-168.8-53.4-33.2000113.9R713 F717R713-D715 PolarHBondContact O-N 2.96Å; R713-D715 VanDerWaalsContact O-N 3.13Å; D715-F717 VanDerWaalsContact C-N 3.32Å
716L40.4Very low36.4Very low111 Ų111124.6 Ų124.658%0.58171%0.706SS**G310 helixtrans-78.7-13.9174.9-109.9139000113.3P714P714-L716 VanDerWaalsContact C-N 3.28Å; P714-L716 PolarHBondContact O-N 3.08Å
717F40.4Very low36.2Very low180 Ų180129.6 Ų129.679%0.78972%0.716SS**SBendtrans-116.70.2-172-75.6-78.9000116.1P714 D715P714-F717 PolarHBondContact O-N 3Å; D715-F717 VanDerWaalsContact C-N 3.32Å
718Y40Very low35.9Very low200 Ų200123.4 Ų123.478%0.78469%0.694SS**  trans-135.7105.3178.6-92.9-85.4000114
719A32Very low36.3Very low112 Ų112120 Ų12093%0.92670%0.699SS**  trans-136.998.1143.500000108
720A38.9Very low35.4Very low75 Ų75121.9 Ų121.962%0.6271%0.707SS**  trans-114.6120167.500000108.1
721D33.3Very low35Very low179 Ų179125.3 Ų125.396%0.95773%0.734SS**  trans-169.4120.1152.3-95.3-20.3000107.3
722G29.4Very low34.5Very low67 Ų67126.1 Ų126.169%0.69174%0.744SS**  cis-177.4166.9-0.500000112.7
723I30.9Very low33.7Very low162 Ų162125.3 Ų125.383%0.83175%0.751SS**  trans84.992154-45.1-178.6000120.2
724L28.6Very low32.9Very low161 Ų161127.8 Ų127.884%0.84377%0.766SS**  trans44.2128.9135.9-56.9169.6000120.3
725S25.1Very low32.6Very low116 Ų116133.8 Ų133.881%0.81178%0.777SS**  -166.7158.364.2-62.20000111.9
726G34.3Very low31.9Very low78 Ų78130.7 Ų130.780%0.80477%0.77SS**  trans-76.2174.7-166.500000118.6
727D27.1Very low31.2Very low175 Ų175133.6 Ų133.694%0.93679%0.787SS**  trans96.4136.3170.4-147.812.4000117.6
728G28.1Very low30.5Very low49 Ų49131.4 Ų131.451%0.50578%0.782SS.*  trans79.8102.9154.700000119.6
729S39.5Very low29.8Very low114 Ų114130.3 Ų130.380%0.79778%0.784SS**  trans6.9128.8142.658.20000118.9
730I25.8Very low29.3Very low156 Ų156130.6 Ų130.680%0.878%0.779SS**  trans-158.1120.5141.4-74.2112.6000109.3P732I730-P732 HydrophobicContact CG2-CG 4.33Å
731S36.6Very low28.5Very low119 Ų119131.5 Ų131.583%0.83278%0.781SS**  trans-91.7148.4145.8-60.60000108.4
732P34.9Very low28.1Very low101 Ų101131.1 Ų131.166%0.65677%0.773SS**  -154132.2113.826.9-3.4000114.7I730I730-P732 HydrophobicContact CG2-CG 4.33Å
733S26.1Very low27.9Very low98 Ų98135.6 Ų135.669%0.68578%0.78SS**  50.2125.7102.375.90000117.9
734F24.3Very low27.5Very low191 Ų191131.1 Ų131.184%0.83877%0.774SS**  173.1123.3106-127.9-105.9000112.8
735Y29.9Very low27.3Very low229 Ų229132.4 Ų132.490%0.89878%0.776SS**  trans-81.2137.6156.3-112.2-94.1000108.4
736A25.2Very low27.2Very low72 Ų72132.2 Ų132.260%0.59578%0.781SS**  trans-176.4107.5143.900000110.4
737D24.4Very low26.8Very low172 Ų172132.1 Ų132.192%0.9278%0.78SS**  trans-147.7140.9130.8-103.4-24.4000109.2
738I25.4Very low26.6Very low134 Ų134131.7 Ų131.769%0.68778%0.778SS**  trans-109.5134.2-150.8-87.1173.9000111.2
739Q25.5Very low26.3Very low176 Ų176137.9 Ų137.982%0.82280%0.799SS**  trans62126.2143.7-69.4170.4-2.400123.3
740S22.8Very low25.5Very low119 Ų119137.4 Ų137.483%0.83280%0.795SS**  178.6142.3106.443.10000108.3
741S22.2Very low25.3Very low94 Ų94135.6 Ų135.666%0.65780%0.796SS**  cis-160.6159.49.5-157.60000109.9
742E23.6Very low24.6Very low170 Ų170135.4 Ų135.479%0.79480%0.795SS**  trans58.4143.8154.5-74.2161.8-14800122.8
743L24.8Very low24.1Very low161 Ų161139 Ų13984%0.84381%0.808SS**  cis-179.2143.5-28.3-131.2153.6000107.6
744G23.3Very low24Very low68 Ų68140.7 Ų140.770%0.70181%0.809SS**  trans121.887.1161.900000114.3
745E24.3Very low23.9Very low189 Ų189139.4 Ų139.488%0.88381%0.806SS**  84.8133.978.8-85.7-162.7164.500117.2
746A23.9Very low23.6Very low111 Ų111139.1 Ų139.192%0.91781%0.81SS**  trans79126.9170.600000117.4
747G24.7Very low23.5Very low76 Ų76140.9 Ų140.978%0.78481%0.813SS**  cis-179150.52.800000110.3
748N22.5Very low23.3Very low166 Ų166138.8 Ų138.889%0.88881%0.808SS**  trans-60.9146.7-167.6-68.5-34.5000116.8
749L22Very low23.1Very low180 Ų180137.3 Ų137.394%0.94281%0.81SS**  trans-131.8128.6140.4-95.4162.3000110.1
750S22.8Very low23.1Very low104 Ų104134.8 Ų134.873%0.72781%0.807SS**  trans-73.2142.1-168.9480000114.7
751S22.4Very low23.2Very low117 Ų117133.6 Ų133.682%0.81880%0.796SS**  trans-64.9136.7165.259.60000112.7
752S22.6Very low23.4Very low116 Ų116135.1 Ų135.181%0.81180%0.801SS**  trans-141.4113.4149.7-54.50000108.2
753L24.1Very low24.1Very low176 Ų176131.2 Ų131.292%0.92179%0.79SS**  trans-83.2118.2178.4-157.891000107.6
754D22.4Very low25.1Very low133 Ų133124.4 Ų124.471%0.71176%0.757SS**  trans-141.1112.2166-102.8-36.6000111.5
755Q23.5Very low26.5Very low165 Ų165128.5 Ų128.577%0.77176%0.763SS**  trans54.3104.3141.5-62.1173.743.600118.9V757Q755-V757 PolarHBondContact O-N 2.95Å; Q755-V757 VanDerWaalsContact O-N 3.07Å
756F23.6Very low28.5Very low223 Ų223122 Ų12298%0.97873%0.73SS**  trans-55.3104.8163.2-95-98000111.8
757V21.8Very low30Very low108 Ų108117.6 Ų117.666%0.65569%0.692SS**  trans-113.1140.6153.4178.50000104.9Q755 S759Q755-V757 PolarHBondContact O-N 2.95Å; Q755-V757 VanDerWaalsContact O-N 3.07Å; V757-S759 VanDerWaalsContact C-N 3.32Å; V757-S759 PolarHBondContact O-N 3Å
758P21.9Very low31.5Very low128 Ų128119.8 Ų119.883%0.83169%0.69SS**  trans-67.396.3178.125-27.3000108.6
759S21.3Very low32.9Very low104 Ų104112 Ų11273%0.72765%0.649SS**  trans-72.2123.5170.948.10000108.1V757V757-S759 VanDerWaalsContact C-N 3.32Å; V757-S759 PolarHBondContact O-N 3Å
760V23.7Very low33.7Very low123 Ų123109.6 Ų109.675%0.74564%0.637SS**  trans-45.2130.8160.81790000107.9V762V760-V762 PolarHBondContact O-N 2.86Å; V760-V762 VanDerWaalsContact O-N 3.13Å
761P26.4Very low34.4Very low93 Ų93108 Ų10860%0.60462%0.616SS**PPolyproline II helixtrans-59123.2179.722.6-30.5000108.6
762V25.6Very low35.1Very low126 Ų126103.7 Ų103.776%0.76459%0.585SS**PPolyproline II helixtrans-61.5125.3170.9179.70000106.3V760 A764V760-V762 PolarHBondContact O-N 2.86Å; V760-V762 VanDerWaalsContact O-N 3.13Å; V762-A764 PolarHBondContact O-N 3.37Å
763P38.8Very low35.8Very low88 Ų88101.4 Ų101.457%0.57156%0.561SS**PPolyproline II helixtrans-55135176.9-21.330.8000109.3D765P763-D765 PolarHBondContact O-N 3.04Å; P763-D765 VanDerWaalsContact O-N 3.12Å
764A45.1Very low36.5Very low18 Ų1898.7 Ų98.715%0.14954%0.538CS..PPolyproline II helixtrans-58.6120.4169.400000108.3Y613 V762 R766Y613-A764 HydrophobicContact CE1-CB 3.86Å; Y613-A764 PolarHBondContact OH-N 2.57Å; V762-A764 PolarHBondContact O-N 3.37Å; A764-R766 PolarHBondContact O-N 3.07Å
765D53.6Low37Very low154 Ų15494.6 Ų94.682%0.82452%0.519SS*.PPolyproline II helixtrans-53.9138.6171.1-78.6-33000108.8P763P763-D765 PolarHBondContact O-N 3.04Å; P763-D765 VanDerWaalsContact O-N 3.12Å
766R65.4Low37.5Very low52 Ų5292.7 Ų92.720%0.19651%0.514CS..PPolyproline II helixtrans-54135.1-179.5-180-178.9-70.3172.12.3109.9A526 T571 Y610 A764 V768A526-R766 PolarHBondContact O-NH1 3.39Å; T571-R766 VanDerWaalsContact OG1-CZ 3.31Å; T571-R766 PolarHBondContact OG1-NH1 3.32Å; T571-R766 VanDerWaalsContact OG1-NH1 3.1Å; T571-R766 PolarHBondContact OG1-NH2 3.17Å; Y610-R766 HydrophobicContact CD1-CG 4.26Å; Y610-R766 HydrophobicContact CE1-CB 4.15Å; Y610-R766 HydrophobicContact CE1-CG 3.95Å; Y610-R766 HydrophobicContact CE2-CB 4.14Å; Y610-R766 HydrophobicContact CE2-CG 4.5Å; A764-R766 PolarHBondContact O-N 3.07Å; R766-V768 PolarHBondContact O-N 3.48Å
767P56.5Low38.3Very low19 Ų1985.6 Ų85.612%0.12348%0.484CS..PPolyproline II helixtrans-57.2126.3170.521.9-31000110.2C606 Q607 Y610 S769C606-P767 VanDerWaalsContact SG-CB 3.53Å; Q607-P767 PolarHBondContact NE2-O 3.28Å; Q607-P767 VanDerWaalsContact NE2-O 3.12Å; Y610-P767 HydrophobicContact CG-CG 4.46Å; P767-S769 PolarHBondContact O-N 3.32Å
768V56.5Low39.4Very low122 Ų12287 Ų8774%0.73948%0.477SS*.PPolyproline II helixtrans-67.1118.5179-1790000107.5R766R766-V768 PolarHBondContact O-N 3.48Å
769S51.2Low40.6Very low4 Ų484 Ų843%0.02845%0.451CS..PPolyproline II helixtrans-76.4130.1177.9-178.20000110.3E603 P767 W771 S772E603-S769 VanDerWaalsContact CD-OG 3.32Å; E603-S769 VanDerWaalsContact OE1-CA 3.25Å; E603-S769 WeakPolarHBondContact OE1-CA 3.37Å; E603-S769 WeakPolarHBondContact OE1-CB 3.38Å; E603-S769 PolarHBondContact OE1-OG 3.07Å; P767-S769 PolarHBondContact O-N 3.32Å; S769-W771 PolarHBondContact O-N 3.13Å; S769-W771 VanDerWaalsContact O-N 3.17Å; S769-W771 PolarHBondContact OG-N 3.32Å; S769-S772 VanDerWaalsContact CB-OG 3.23Å; S769-S772 WeakPolarHBondContact CB-OG 3.28Å; S769-S772 WeakPolarHBondContact O-CB 3.43Å; S769-S772 PolarHBondContact O-N 3.41Å; S769-S772 VanDerWaalsContact O-N 3.1Å; S769-S772 PolarHBondContact O-OG 3.39Å
770D38.1Very low41.8Very low129 Ų12980 Ų8069%0.6942%0.421SS*.THydrogen-bonded Turntrans-62.6-17.1173.1-77.7-21.1000112.1F773D770-F773 CarbonylContact O-C 3.41Å
771W38.9Very low42.4Very low71 Ų7180.4 Ų80.427%0.26941%0.41SS..THydrogen-bonded Turntrans-84-23.8175.7-64.189.3000113.8D560 L563 S769 F773 R774D560-W771 WeakPolarHBondContact OD1-CH2 3.42Å; D560-W771 WeakPolarHBondContact OD1-CZ3 3.22Å; D560-W771 VanDerWaalsContact OD2-CZ3 3.27Å; D560-W771 WeakPolarHBondContact OD2-CZ3 3.5Å; L563-W771 HydrophobicContact CD2-CB 4.02Å; L563-W771 HydrophobicContact CD2-CD2 4.41Å; L563-W771 HydrophobicContact CD2-CG 3.66Å; S769-W771 PolarHBondContact O-N 3.13Å; S769-W771 VanDerWaalsContact O-N 3.17Å; S769-W771 PolarHBondContact OG-N 3.32Å; W771-F773 PolarHBondContact O-N 3.42Å; W771-R774 VanDerWaalsContact CE3-NH2 3.32Å
772S36.8Very low42.4Very low26 Ų2680.7 Ų80.718%0.18242%0.415CS..SBendtrans-62.1-22.9173-13.70000112.3S769S769-S772 VanDerWaalsContact CB-OG 3.23Å; S769-S772 WeakPolarHBondContact CB-OG 3.28Å; S769-S772 WeakPolarHBondContact O-CB 3.43Å; S769-S772 PolarHBondContact O-N 3.41Å; S769-S772 VanDerWaalsContact O-N 3.1Å; S769-S772 PolarHBondContact O-OG 3.39Å
773F37.7Very low42.7Very low67 Ų6782.1 Ų82.129%0.29441%0.407SS..  trans-145.790.2-169.5-167-112.7000109.5A451 D770 W771 P775A451-F773 HydrophobicContact CB-CD2 4.22Å; A451-F773 HydrophobicContact CB-CE2 3.55Å; D770-F773 CarbonylContact O-C 3.41Å; W771-F773 PolarHBondContact O-N 3.42Å; F773-P775 HydrophobicContact CD1-CG 3.86Å; F773-P775 HydrophobicContact CE1-CB 3.93Å; F773-P775 HydrophobicContact CE1-CG 3.6Å; F773-P775 HydrophobicContact CZ-CB 4.07Å; F773-P775 HydrophobicContact CZ-CG 4.25Å; F773-P775 WeakPolarHBondContact O-CD 3.5Å
774R37.1Very low42.2Very low119 Ų11981.8 Ų81.845%0.44940%0.404SS..  trans-98.980.2166.4-71.7-169.9166.8-161.3-9.8110.6W771 D776W771-R774 VanDerWaalsContact CE3-NH2 3.32Å; R774-D776 PolarHBondContact O-N 3.48Å
775P34.5Very low41.4Very low47 Ų4784.8 Ų84.831%0.30543%0.428SS..THydrogen-bonded Turntrans-65.9-13.5171.629.4-34.6000112.3F773F773-P775 HydrophobicContact CD1-CG 3.86Å; F773-P775 HydrophobicContact CE1-CB 3.93Å; F773-P775 HydrophobicContact CE1-CG 3.6Å; F773-P775 HydrophobicContact CZ-CB 4.07Å; F773-P775 HydrophobicContact CZ-CG 4.25Å; F773-P775 WeakPolarHBondContact O-CD 3.5Å
776D33.7Very low39.9Very low126 Ų12685 Ų8567%0.67443%0.43SS*.THydrogen-bonded Turntrans-87.2-3-176.9-71.9-40.6000115R774 R778R774-D776 PolarHBondContact O-N 3.48Å; D776-R778 VanDerWaalsContact C-N 3.27Å; D776-R778 PolarHBondContact O-N 3.4Å
777E39.7Very low37.9Very low74 Ų7486.7 Ų86.735%0.34646%0.455SS..  trans-67.489.3166.4-94.4-177.3169.100109.6K482 F779K482-E777 IonicContact NZ-OE2 3.38Å; K482-E777 PolarHBondContact NZ-OE2 3.28Å; E777-F779 HydrophobicContact CB-CE2 3.82Å; E777-F779 HydrophobicContact CB-CZ 3.83Å; E777-F779 WeakPolarHBondContact O-CD2 3.31Å; E777-F779 VanDerWaalsContact O-CE2 3.3Å; E777-F779 WeakPolarHBondContact O-CE2 3.44Å; E777-F779 PolarHBondContact O-N 3.02Å; E777-F779 WeakPolarHBondContact OE2-CZ 3.36Å
778R45.1Very low36.4Very low136 Ų13690.3 Ų90.351%0.51348%0.48SS..  trans-79.291.9178.7-68.1177-174.5175.410.7109.5D776 F780 Y781D776-R778 VanDerWaalsContact C-N 3.27Å; D776-R778 PolarHBondContact O-N 3.4Å; R778-F780 PolarHBondContact O-N 3.45Å; R778-Y781 HydrophobicContact CB-CD2 3.83Å; R778-Y781 HydrophobicContact CB-CE2 4.02Å; R778-Y781 HydrophobicContact CG-CE2 4.26Å; R778-Y781 PolarHBondContact NH1-OH 3.28Å
779F46Very low34.9Very low65 Ų6593.2 Ų93.229%0.28549%0.486SS..  trans-65.5-23.1177.3-62.2-78.9000114Y406 V440 S444 E777Y406-F779 PolarHBondContact OH-N 3.3Å; V440-F779 HydrophobicContact CG1-CB 4.32Å; S444-F779 WeakPolarHBondContact OG-CD2 3.08Å; S444-F779 WeakPolarHBondContact OG-CG 3.4Å; E777-F779 HydrophobicContact CB-CE2 3.82Å; E777-F779 HydrophobicContact CB-CZ 3.83Å; E777-F779 WeakPolarHBondContact O-CD2 3.31Å; E777-F779 VanDerWaalsContact O-CE2 3.3Å; E777-F779 WeakPolarHBondContact O-CE2 3.44Å; E777-F779 PolarHBondContact O-N 3.02Å; E777-F779 WeakPolarHBondContact OE2-CZ 3.36Å
780F47.5Very low34.1Very low22 Ų2297.7 Ų97.710%0.09651%0.509CS..  trans-117.970.7-171.7-72.5-75.3000113.5Y406 V440 E441 R778Y406-F780 HydrophobicContact CD1-CB 4.42Å; Y406-F780 AromaticContact CD1-CD2 3.72Å; Y406-F780 HydrophobicContact CD1-CD2 3.72Å; Y406-F780 HydrophobicContact CD1-CG 4.31Å; Y406-F780 HydrophobicContact CE1-CB 3.92Å; Y406-F780 AromaticContact CE1-CD2 3.39Å; Y406-F780 HydrophobicContact CE1-CD2 3.39Å; Y406-F780 HydrophobicContact CE1-CE2 4.41Å; Y406-F780 HydrophobicContact CE1-CG 4.03Å; Y406-F780 HydrophobicContact CE2-CD2 4.44Å; Y406-F780 HydrophobicContact CG-CD2 4.38Å; Y406-F780 AromaticContact CZ-CD2 3.79Å; V440-F780 HydrophobicContact CB-CZ 4.01Å; V440-F780 HydrophobicContact CG1-CE2 4.19Å; V440-F780 HydrophobicContact CG1-CZ 3.86Å; E441-F780 HydrophobicContact CB-CE1 4.33Å; E441-F780 HydrophobicContact CB-CE2 4.21Å; E441-F780 HydrophobicContact CB-CZ 3.76Å; E441-F780 HydrophobicContact CG-CD1 4.09Å; E441-F780 HydrophobicContact CG-CE1 3.27Å; E441-F780 HydrophobicContact CG-CE2 3.93Å; E441-F780 HydrophobicContact CG-CZ 3.18Å; E441-F780 WeakPolarHBondContact OE1-CE1 3.29Å; R778-F780 PolarHBondContact O-N 3.45Å
781Y35.8Very low33.9Very low130 Ų13096 Ų9651%0.5150%0.499SS..  trans-102.2-8166-104.1-62.8000114.5R778 Y783 T784R778-Y781 HydrophobicContact CB-CD2 3.83Å; R778-Y781 HydrophobicContact CB-CE2 4.02Å; R778-Y781 HydrophobicContact CG-CE2 4.26Å; R778-Y781 PolarHBondContact NH1-OH 3.28Å; Y781-Y783 PolarHBondContact O-N 3.04Å; Y781-T784 PolarHBondContact O-OG1 3.43Å
782S27.7Very low33.6Very low100 Ų10097.4 Ų97.470%0.69951%0.512SS*.THydrogen-bonded Turntrans-82.1-3.4-171.463.10000115.8
783Y30.4Very low33.5Very low155 Ų155101.6 Ų101.661%0.60853%0.531SS*.THydrogen-bonded Turntrans-87.60.2178.4-98.4-80.6000115.3Y781Y781-Y783 PolarHBondContact O-N 3.04Å
784T29.4Very low33.2Very low81 Ų81103.8 Ų103.850%0.49755%0.546SS..SBendtrans-103.3120.9170.445.80000110.5F371 Y781F371-T784 HydrophobicContact CZ-CG2 4.41Å; Y781-T784 PolarHBondContact O-OG1 3.43Å
785A27.3Very low32.9Very low81 Ų81102.7 Ų102.767%0.66955%0.553SS**SBendtrans103.913.9164.800000120.3
786N22.8Very low32.8Very low159 Ų159106.7 Ų106.785%0.8557%0.57SS**SBendtrans-117.71.1164.7-85-18000115.4S788N786-S788 PolarHBondContact O-N 3.46Å
787A24.2Very low32.7Very low87 Ų87105.2 Ų105.272%0.71956%0.563SS**  trans-8313.1171.900000113.6Q789A787-Q789 PolarHBondContact O-N 3.38Å
788S24.9Very low32.2Very low95 Ų95107.8 Ų107.866%0.66458%0.581SS**  trans-95.869.2168.1470000109.8N786N786-S788 PolarHBondContact O-N 3.46Å
789Q24.9Very low31Very low183 Ų183105.3 Ų105.386%0.85559%0.587SS**  trans-150.60150.5-113.9-179.172.700111.4K108 A787K108-Q789 WeakPolarHBondContact CE-O 3.36Å; K108-Q789 PolarHBondContact NZ-O 3.23Å; K108-Q789 PolarHBondContact NZ-OXT 3.36Å; A787-Q789 PolarHBondContact O-N 3.38Å

Retrieved 789 of 789 residues in 1660.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).