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SNW domain-containing protein 1

Involved in pre-mRNA splicing as component of the spliceosome1,2,3. As a component of the minor spliceosome, involved in the splicing of U12-type introns in pre-mRNAs (Probable). Required for the specific splicing of CDKN1A pre-mRNA; the function probably involves the recruitment of U2AF2 to the mRNA. May recruit PPIL1 to the spliceosome. May be involved in cyclin-D1/CCND1 mRNA stability through the SNARP complex which associates with both the 3'end of the CCND1 gene and its mRNA. Involved in transcriptional regulation. Modulates TGF-beta-mediated transcription via association with SMAD proteins, MYOD1-mediated transcription via association with PABPN1, RB1-mediated transcriptional repression, and retinoid-X receptor (RXR)- and vitamin D receptor (VDR)-dependent gene transcription in a cell line-specific manner probably involving coactivators NCOA1 and GRIP1. Is involved in NOTCH1-mediated transcriptional activation. Binds to multimerized forms of Notch intracellular domain (NICD) and is proposed to recruit transcriptional coactivators such as MAML1 to form an intermediate preactivation complex which associates with DNA-bound CBF-1/RBPJ to form a transcriptional activation complex by releasing SNW1 and redundant NOTCH1 NICD. (Microbial infection) Is recruited by HIV-1 Tat to Tat:P-TEFb:TAR RNA complexes and is involved in Tat transcription by recruitment of MYC, MEN1 and TRRAP to the HIV promoter. (Microbial infection) Proposed to be involved in transcriptional activation by EBV EBNA2 of CBF-1/RBPJ-repressed promoters.

AlphaFold DB , UniProt , Accession Q13573, Species HUMAN (Homo sapiens, Human), Gene SNW1, Length 536 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M46.9Very low74Confident231 Ų231125.5 Ų125.5100%1.13874%0.739SS**  0117.90-66.9-174.9-174.800107.4
2A71.8Confident73.7Confident65 Ų65129.1 Ų129.154%0.53774%0.743SS.*  trans-78.9136.7-174.800000111.1T4 S5A2-T4 PolarHBondContact O-N 3.5Å; A2-S5 PolarHBondContact O-N 3.28Å; A2-S5 VanDerWaalsContact O-N 3.16Å; A2-S5 PolarHBondContact O-OG 2.61Å
3L73.1Confident73.6Confident151 Ų151124.3 Ų124.379%0.79171%0.712SS**G310 helixtrans-51.2-21.6178.5-87.9155.6000114.3S5 F6L3-S5 PolarHBondContact O-N 3.26Å; L3-F6 PolarHBondContact O-N 3.27Å
4T77Confident73.5Confident114 Ų114118.9 Ų118.970%0.69969%0.686SS**G310 helixtrans-64.1-22179.754.40000113.8A2 F6A2-T4 PolarHBondContact O-N 3.5Å; T4-F6 VanDerWaalsContact C-N 3.33Å; T4-F6 PolarHBondContact O-N 3.26Å
5S81.8Confident73.5Confident90 Ų90117.6 Ų117.663%0.62967%0.671SS**G310 helixtrans-78.7-12.5179.264.90000114.6A2 L3A2-S5 PolarHBondContact O-N 3.28Å; A2-S5 VanDerWaalsContact O-N 3.16Å; A2-S5 PolarHBondContact O-OG 2.61Å; L3-S5 PolarHBondContact O-N 3.26Å
6F81Confident73.7Confident164 Ų164115.7 Ų115.772%0.71966%0.658SS**G310 helixtrans-100.9-5.6-178.6-75.9-80.9000113.9L3 T4L3-F6 PolarHBondContact O-N 3.27Å; T4-F6 VanDerWaalsContact C-N 3.33Å; T4-F6 PolarHBondContact O-N 3.26Å
7L79.7Confident73.8Confident130 Ų130114.5 Ų114.568%0.68165%0.646SS**SBendtrans-92.5136.4-179.8-64.8175.7000110.8
8P79Confident73.9Confident117 Ų117113.1 Ų113.176%0.7664%0.636SS**PPolyproline II helixtrans-60.2146.1172.924.8-32.2000110.7
9A77Confident74.2Confident86 Ų86109.6 Ų109.671%0.71161%0.614SS**PPolyproline II helixtrans-58.5139.1-179.900000111.3T11A9-T11 PolarHBondContact O-N 3.06Å
10P72.2Confident74.5Confident87 Ų87106.9 Ų106.957%0.56561%0.606SS**PPolyproline II helixtrans-61.7132.2179.124.6-32.6000110.9Q12 L13P10-Q12 VanDerWaalsContact C-N 3.26Å; P10-Q12 PolarHBondContact O-N 2.78Å; P10-L13 HydrophobicContact CG-CD2 4.48Å
11T74.9Confident74.7Confident146 Ų146106.8 Ų106.890%0.89660%0.6SS**SBendtrans-77.9-8.9-179.753.40000113.8A9A9-T11 PolarHBondContact O-N 3.06Å
12Q70.5Confident76.2Confident168 Ų168102.6 Ų102.679%0.78558%0.578SS**  trans-128.3106.9178.4-68.4-175.6-10.600108.2P10P10-Q12 VanDerWaalsContact C-N 3.26Å; P10-Q12 PolarHBondContact O-N 2.78Å
13L71.4Confident76.6Confident67 Ų67106 Ų10635%0.35158%0.58SS.*  trans-90136.3173.3-67160.9000108.4P10 Q17 L18 E21P10-L13 HydrophobicContact CG-CD2 4.48Å; L13-Q17 HydrophobicContact CB-CB 4.04Å; L13-Q17 HydrophobicContact CD2-CB 3.99Å; L13-L18 HydrophobicContact CB-CD2 3.91Å; L13-L18 HydrophobicContact CB-CG 3.91Å; L13-L18 HydrophobicContact CD1-CD2 3.9Å; L13-E21 WeakPolarHBondContact CD1-OE2 3.28Å
14S73.2Confident76.8Confident49 Ų49100.8 Ų100.834%0.34356%0.559SS.*  trans-64.2159.517064.40000110.4D16 Q17 L18S14-D16 PolarHBondContact O-N 2.9Å; S14-Q17 CarbonylContact O-C 3.56Å; S14-Q17 WeakPolarHBondContact O-CA 3.4Å; S14-Q17 WeakPolarHBondContact O-CB 3.3Å; S14-Q17 PolarHBondContact O-N 2.76Å; S14-Q17 WeakPolarHBondContact OG-CB 3.5Å; S14-Q17 VanDerWaalsContact OG-CG 3.28Å; S14-Q17 WeakPolarHBondContact OG-CG 3.41Å; S14-Q17 PolarHBondContact OG-N 3.28Å; S14-L18 PolarHBondContact O-N 2.8Å
15Q73.2Confident76.9Confident99 Ų99104.8 Ų104.846%0.46356%0.562SS.*Hα-helixtrans-58.5-36.1177.3-175.2163.7-12.500111.9Q17 L18 E19Q15-Q17 VanDerWaalsContact C-N 3.33Å; Q15-Q17 PolarHBondContact O-N 2.98Å; Q15-L18 PolarHBondContact O-N 3.2Å; Q15-E19 WeakPolarHBondContact O-CB 3.25Å; Q15-E19 WeakPolarHBondContact O-CG 3.49Å; Q15-E19 PolarHBondContact O-N 3.37Å
16D76.8Confident76.5Confident87 Ų87103.1 Ų103.147%0.46555%0.55SS.*Hα-helixtrans-65.7-36.3173.5-66.4-24.5000112.3S14 A20S14-D16 PolarHBondContact O-N 2.9Å; D16-A20 WeakPolarHBondContact O-CB 2.95Å; D16-A20 PolarHBondContact O-N 2.77Å
17Q75.5Confident76.2Confident96 Ų96101.4 Ų101.445%0.44954%0.544SS..Hα-helixtrans-69.6-36.4173.3-75.8174.1-8.100111.6L13 S14 Q15 A20 E21L13-Q17 HydrophobicContact CB-CB 4.04Å; L13-Q17 HydrophobicContact CD2-CB 3.99Å; S14-Q17 CarbonylContact O-C 3.56Å; S14-Q17 WeakPolarHBondContact O-CA 3.4Å; S14-Q17 WeakPolarHBondContact O-CB 3.3Å; S14-Q17 PolarHBondContact O-N 2.76Å; S14-Q17 WeakPolarHBondContact OG-CB 3.5Å; S14-Q17 VanDerWaalsContact OG-CG 3.28Å; S14-Q17 WeakPolarHBondContact OG-CG 3.41Å; S14-Q17 PolarHBondContact OG-N 3.28Å; Q15-Q17 VanDerWaalsContact C-N 3.33Å; Q15-Q17 PolarHBondContact O-N 2.98Å; Q17-A20 PolarHBondContact O-N 2.86Å; Q17-E21 WeakPolarHBondContact O-CB 3.47Å; Q17-E21 PolarHBondContact O-N 3.3Å
18L75.8Confident75.7Confident89 Ų89103.9 Ų103.947%0.46655%0.545SS..Hα-helixtrans-66-44.9173.2-70.6170.1000111.1L13 S14 Q15 A20 E21 E22L13-L18 HydrophobicContact CB-CD2 3.91Å; L13-L18 HydrophobicContact CB-CG 3.91Å; L13-L18 HydrophobicContact CD1-CD2 3.9Å; S14-L18 PolarHBondContact O-N 2.8Å; Q15-L18 PolarHBondContact O-N 3.2Å; L18-A20 VanDerWaalsContact C-N 3.34Å; L18-A20 PolarHBondContact O-N 3.32Å; L18-E21 PolarHBondContact O-N 2.92Å; L18-E22 VanDerWaalsContact O-CB 3.24Å; L18-E22 WeakPolarHBondContact O-CB 3.17Å; L18-E22 PolarHBondContact O-N 3.14Å
19E78.6Confident75Confident47 Ų47101.8 Ų101.822%0.2253%0.533CS..Hα-helixtrans-63.2-40.2174.5-74.8-174.9-165.600111Q15 K23 K95Q15-E19 WeakPolarHBondContact O-CB 3.25Å; Q15-E19 WeakPolarHBondContact O-CG 3.49Å; Q15-E19 PolarHBondContact O-N 3.37Å; E19-K23 VanDerWaalsContact O-CB 3.31Å; E19-K23 WeakPolarHBondContact O-CB 3.43Å; E19-K23 VanDerWaalsContact O-CG 3.27Å; E19-K23 WeakPolarHBondContact O-CG 3.15Å; E19-K23 PolarHBondContact O-N 3.42Å; E19-K95 IonicContact OE1-NZ 3.7Å; E19-K95 PolarHBondContact OE1-NZ 3.03Å; E19-K95 IonicContact OE2-NZ 3.2Å; E19-K95 PolarHBondContact OE2-NZ 2.95Å
20A80.3Confident74.3Confident54 Ų54107.1 Ų107.145%0.44653%0.534SS..Hα-helixtrans-69.7-38.2176.700000112.2D16 Q17 L18 K23 A24D16-A20 WeakPolarHBondContact O-CB 2.95Å; D16-A20 PolarHBondContact O-N 2.77Å; Q17-A20 PolarHBondContact O-N 2.86Å; L18-A20 VanDerWaalsContact C-N 3.34Å; L18-A20 PolarHBondContact O-N 3.32Å; A20-K23 PolarHBondContact O-N 2.78Å; A20-A24 VanDerWaalsContact O-CB 3.25Å; A20-A24 WeakPolarHBondContact O-CB 3.32Å; A20-A24 PolarHBondContact O-N 3.28Å
21E78Confident73.8Confident106 Ų106110.9 Ų110.950%0.49554%0.544SS..Hα-helixtrans-71.4-37.5176.7-163.5179.9-154.200110.6L13 Q17 L18 A24 R25L13-E21 WeakPolarHBondContact CD1-OE2 3.28Å; Q17-E21 WeakPolarHBondContact O-CB 3.47Å; Q17-E21 PolarHBondContact O-N 3.3Å; L18-E21 PolarHBondContact O-N 2.92Å; E21-A24 CarbonylContact O-C 3.57Å; E21-A24 PolarHBondContact O-N 3.47Å; E21-R25 WeakPolarHBondContact O-CB 3.36Å; E21-R25 PolarHBondContact O-N 2.96Å
22E79.1Confident73.1Confident142 Ų142109.2 Ų109.266%0.66453%0.534SS*.Hα-helixtrans-67.6-39.3172.7-166.8173.2-165.100111.6L18 R25 S26L18-E22 VanDerWaalsContact O-CB 3.24Å; L18-E22 WeakPolarHBondContact O-CB 3.17Å; L18-E22 PolarHBondContact O-N 3.14Å; E22-R25 PolarHBondContact O-N 2.83Å; E22-S26 WeakPolarHBondContact O-CB 3.38Å; E22-S26 PolarHBondContact O-N 3.42Å; E22-S26 PolarHBondContact O-OG 3.16Å
23K80.2Confident72.1Confident136 Ų136104.9 Ų104.959%0.59152%0.522SS*.Hα-helixtrans-62.3-44.3168.7-79.8174.8179.51740111.9E19 A20 R25 S26 Q27E19-K23 VanDerWaalsContact O-CB 3.31Å; E19-K23 WeakPolarHBondContact O-CB 3.43Å; E19-K23 VanDerWaalsContact O-CG 3.27Å; E19-K23 WeakPolarHBondContact O-CG 3.15Å; E19-K23 PolarHBondContact O-N 3.42Å; A20-K23 PolarHBondContact O-N 2.78Å; K23-R25 VanDerWaalsContact C-N 3.32Å; K23-R25 PolarHBondContact O-N 3.18Å; K23-S26 WeakPolarHBondContact CA-OG 3.46Å; K23-S26 PolarHBondContact O-N 2.96Å; K23-S26 PolarHBondContact O-OG 2.74Å; K23-Q27 WeakPolarHBondContact O-CB 3.44Å; K23-Q27 WeakPolarHBondContact O-CG 3.38Å; K23-Q27 PolarHBondContact O-N 2.84Å
24A78.2Confident71.1Confident42 Ų42109.3 Ų109.335%0.34755%0.546SS..Hα-helixtrans-67.1-34.8177.300000111.6A20 E21 Q27 R28A20-A24 VanDerWaalsContact O-CB 3.25Å; A20-A24 WeakPolarHBondContact O-CB 3.32Å; A20-A24 PolarHBondContact O-N 3.28Å; E21-A24 CarbonylContact O-C 3.57Å; E21-A24 PolarHBondContact O-N 3.47Å; A24-Q27 PolarHBondContact O-N 3.21Å; A24-R28 VanDerWaalsContact O-CB 3.31Å; A24-R28 WeakPolarHBondContact O-CB 3.48Å; A24-R28 WeakPolarHBondContact O-CG 3.4Å; A24-R28 PolarHBondContact O-N 3.15Å
25R77.6Confident69.8Low198 Ų198113.9 Ų113.975%0.74757%0.571SS**Hα-helixtrans-73-38.9178-160.3173.5-170.1-174.73111.4E21 E22 K23 R28 S29E21-R25 WeakPolarHBondContact O-CB 3.36Å; E21-R25 PolarHBondContact O-N 2.96Å; E22-R25 PolarHBondContact O-N 2.83Å; K23-R25 VanDerWaalsContact C-N 3.32Å; K23-R25 PolarHBondContact O-N 3.18Å; R25-R28 PolarHBondContact O-N 3.48Å; R25-S29 WeakPolarHBondContact O-CB 3.45Å; R25-S29 PolarHBondContact O-N 3.2Å
26S75.3Confident68.9Low56 Ų56113.8 Ų113.839%0.39258%0.581SS.*Hα-helixtrans-69.7-33.2171.357.90000112.5E22 K23 S29 R30E22-S26 WeakPolarHBondContact O-CB 3.38Å; E22-S26 PolarHBondContact O-N 3.42Å; E22-S26 PolarHBondContact O-OG 3.16Å; K23-S26 WeakPolarHBondContact CA-OG 3.46Å; K23-S26 PolarHBondContact O-N 2.96Å; K23-S26 PolarHBondContact O-OG 2.74Å; S26-S29 PolarHBondContact O-OG 3Å; S26-S29 VanDerWaalsContact O-OG 3.11Å; S26-R30 WeakPolarHBondContact O-CG 3.39Å; S26-R30 PolarHBondContact O-N 2.72Å
27Q73.9Confident67.9Low128 Ų128114.4 Ų114.460%0.59859%0.592SS**Hα-helixtrans-70.5-42.1170.6-77.3-176.5-17.500112.5K23 A24 R30 Q31K23-Q27 WeakPolarHBondContact O-CB 3.44Å; K23-Q27 WeakPolarHBondContact O-CG 3.38Å; K23-Q27 PolarHBondContact O-N 2.84Å; A24-Q27 PolarHBondContact O-N 3.21Å; Q27-R30 WeakPolarHBondContact O-CB 3.39Å; Q27-R30 PolarHBondContact O-N 3.32Å; Q27-Q31 PolarHBondContact O-N 3.05Å
28R70Confident67.1Low182 Ų182119.5 Ų119.569%0.68761%0.607SS**Hα-helixtrans-67-37.5175.4-84.7-177.3175.9176.50.1112.3A24 R25 R30 Q31 T32A24-R28 VanDerWaalsContact O-CB 3.31Å; A24-R28 WeakPolarHBondContact O-CB 3.48Å; A24-R28 WeakPolarHBondContact O-CG 3.4Å; A24-R28 PolarHBondContact O-N 3.15Å; R25-R28 PolarHBondContact O-N 3.48Å; R28-R30 PolarHBondContact O-N 3.42Å; R28-Q31 PolarHBondContact O-N 3.18Å; R28-Q31 VanDerWaalsContact O-N 3.15Å; R28-T32 PolarHBondContact O-N 3.13Å; R28-T32 PolarHBondContact O-OG1 3.03Å
29S64.2Low66.8Low72 Ų72122.5 Ų122.550%0.50361%0.612SS.*Hα-helixtrans-64.5-33.2173.5810000111.2R25 S26 S33R25-S29 WeakPolarHBondContact O-CB 3.45Å; R25-S29 PolarHBondContact O-N 3.2Å; S26-S29 PolarHBondContact O-OG 3Å; S26-S29 VanDerWaalsContact O-OG 3.11Å; S29-S33 PolarHBondContact O-N 3.49Å
30R62.2Low66.9Low199 Ų199127.3 Ų127.375%0.75164%0.635SS**Hα-helixtrans-69.1-30.9171-77.3177.3175.2-178.9-1.2114S26 Q27 R28S26-R30 WeakPolarHBondContact O-CG 3.39Å; S26-R30 PolarHBondContact O-N 2.72Å; Q27-R30 WeakPolarHBondContact O-CB 3.39Å; Q27-R30 PolarHBondContact O-N 3.32Å; R28-R30 PolarHBondContact O-N 3.42Å
31Q61.8Low67.2Low166 Ų166126.3 Ų126.378%0.77662%0.624SS**Hα-helixtrans-89.1-23.9-179-76.2-175.9-24.500114.3Q27 R28Q27-Q31 PolarHBondContact O-N 3.05Å; R28-Q31 PolarHBondContact O-N 3.18Å; R28-Q31 VanDerWaalsContact O-N 3.15Å
32T60.3Low67.7Low110 Ų110123 Ų12368%0.67561%0.611SS**Hα-helixtrans-106.2-1.4-176.756.30000113.9R28 L34R28-T32 PolarHBondContact O-N 3.13Å; R28-T32 PolarHBondContact O-OG1 3.03Å; T32-L34 PolarHBondContact O-N 3.11Å
33S48.9Very low68.1Low77 Ų77120.3 Ų120.354%0.53861%0.606SS.*SBendtrans-66.8102.4165.162.20000108.5S29 V35S29-S33 PolarHBondContact O-N 3.49Å; S33-V35 PolarHBondContact O-N 2.83Å
34L49.9Very low68.6Low161 Ų161122.8 Ų122.884%0.84361%0.614SS**  trans-31.7128152.2-77.9154000107.6T32 S36T32-L34 PolarHBondContact O-N 3.11Å; L34-S36 PolarHBondContact O-N 2.78Å
35V45.6Very low69.1Low145 Ų145123.4 Ų123.488%0.87962%0.624SS**  trans-55.584.7-176.8-178.10000108.9S33 S37S33-V35 PolarHBondContact O-N 2.83Å; V35-S37 PolarHBondContact O-N 3.45Å
36S54.4Low69.7Low96 Ų96122.8 Ų122.867%0.67162%0.623SS**  trans-67.3116.7163-178.60000103.8L34 R38L34-S36 PolarHBondContact O-N 2.78Å; S36-R38 VanDerWaalsContact C-N 3.33Å; S36-R38 PolarHBondContact O-N 2.73Å
37S55.2Low70.3Confident100 Ų100122.4 Ų122.470%0.69961%0.613SS**  trans-51.6100.317653.90000107.9V35 R39V35-S37 PolarHBondContact O-N 3.45Å; S37-R39 PolarHBondContact O-N 3.37Å
38R59.1Low70.9Confident203 Ų203126 Ų12677%0.76663%0.626SS**  trans-58.7118.7176.2-73.2-176.3174.2-170.5-2.5106.2S36 E40S36-R38 VanDerWaalsContact C-N 3.33Å; S36-R38 PolarHBondContact O-N 2.73Å; R38-E40 HydrophobicContact CB-CG 4.25Å; R38-E40 PolarHBondContact O-N 3.47Å
39R70.7Confident71.6Confident152 Ų152121.2 Ų121.257%0.57463%0.634SS**  trans-68.292.1167.4-76.4-175.8175.4-174.11.8106.5S37 D57S37-R39 PolarHBondContact O-N 3.37Å; R39-D57 IonicContact NH1-OD1 3.97Å
40E80Confident72.8Confident148 Ų148120.8 Ų120.869%0.69262%0.621SS**PPolyproline II helixtrans-80.2136.3173.5-69.1-171.5171.600109.3R38R38-E40 HydrophobicContact CB-CG 4.25Å; R38-E40 PolarHBondContact O-N 3.47Å
41P87Confident74.1Confident33 Ų33115.4 Ų115.421%0.21461%0.606CS.*PPolyproline II helixtrans-62.6142.717627.2-35.2000109.8W50 F64P41-W50 HydrophobicContact CB-CH2 3.38Å; P41-W50 HydrophobicContact CB-CZ2 4.08Å; P41-W50 HydrophobicContact CB-CZ3 3.92Å; P41-F64 HydrophobicContact CB-CE1 4.36Å; P41-F64 HydrophobicContact CB-CE2 4.21Å; P41-F64 HydrophobicContact CB-CZ 3.59Å; P41-F64 HydrophobicContact CG-CZ 3.96Å
42P88Confident75.4Confident36 Ų36107.7 Ų107.723%0.23457%0.57CS.*PPolyproline II helixtrans-53.2141.7172.6-22.631.4000110.6Y46 R47 W50P42-Y46 WeakPolarHBondContact CB-O 3.25Å; P42-R47 HydrophobicContact CB-CG 4.04Å; P42-R47 VanDerWaalsContact O-CG 3.3Å; P42-R47 WeakPolarHBondContact O-CG 3.31Å; P42-R47 PolarHBondContact O-NE 3.46Å; P42-W50 HydrophobicContact CG-CD2 4.1Å; P42-W50 HydrophobicContact CG-CE3 4.2Å; P42-W50 HydrophobicContact CG-CG 4.28Å
43P88.7Confident76.7Confident86 Ų86111.7 Ų111.756%0.55857%0.573SS**PPolyproline II helixtrans-62.7159.1176.723.6-30.5000111G45 Y46P43-G45 PolarHBondContact O-N 2.86Å; P43-Y46 HydrophobicContact CG-CD2 3.92Å; P43-Y46 PolarHBondContact O-N 2.89Å
44Y89.6Confident78.6Confident189 Ų189112.8 Ų112.874%0.74157%0.573SS**THydrogen-bonded Turntrans-54130.8177.4-179.3-111.5000110.4
45G89Confident80.5Confident54 Ų54109.2 Ų109.256%0.55755%0.554SS**THydrogen-bonded Turntrans105.3-30.5-17000000114.5P43P43-G45 PolarHBondContact O-N 2.86Å
46Y89.5Confident82.5Confident185 Ų185108.8 Ų108.873%0.72554%0.542SS*.SBendtrans-107.914-177.8-63-87.8000113.9P42 P43P42-Y46 WeakPolarHBondContact CB-O 3.25Å; P43-Y46 HydrophobicContact CG-CD2 3.92Å; P43-Y46 PolarHBondContact O-N 2.89Å
47R87.6Confident84.2Confident49 Ų49105 Ų10519%0.18551%0.514CS..  trans-90.3-0.9-177.2-66.9169.6-176.3164.50.2114.3P42 G49 W50 E66P42-R47 HydrophobicContact CB-CG 4.04Å; P42-R47 VanDerWaalsContact O-CG 3.3Å; P42-R47 WeakPolarHBondContact O-CG 3.31Å; P42-R47 PolarHBondContact O-NE 3.46Å; R47-G49 PolarHBondContact O-N 2.93Å; R47-W50 HydrophobicContact CB-CE3 4.33Å; R47-W50 HydrophobicContact CG-CE3 4.13Å; R47-W50 HydrophobicContact CG-CZ3 4.32Å; R47-W50 PolarHBondContact O-N 3.19Å; R47-E66 WeakPolarHBondContact CD-OE1 3.39Å; R47-E66 IonicContact CZ-OE1 3.85Å; R47-E66 IonicContact NE-OE1 2.65Å; R47-E66 IonicContact NH1-OE1 3.3Å; R47-E66 PolarHBondContact NH1-OE1 3.49Å
48K86.6Confident85.8Confident202 Ų202100.6 Ų100.688%0.87848%0.483SS*.THydrogen-bonded Turntrans-63.5122.9179.7-68.5-169.9176.9-175.80110.1W50K48-W50 VanDerWaalsContact C-N 3.33Å; K48-W50 PolarHBondContact O-N 2.95Å
49G85.6Confident87Confident82 Ų8293 Ų9385%0.84547%0.467SS*.THydrogen-bonded Turntrans86.1-8.4178.500000115.6R47R47-G49 PolarHBondContact O-N 2.93Å
50W88.5Confident87.7Confident64 Ų6494 Ų9424%0.24249%0.485CS..  trans-89.4136174.1172.568.8000110.3P41 P42 R47 K48 P52 D57 F64 I67P41-W50 HydrophobicContact CB-CH2 3.38Å; P41-W50 HydrophobicContact CB-CZ2 4.08Å; P41-W50 HydrophobicContact CB-CZ3 3.92Å; P42-W50 HydrophobicContact CG-CD2 4.1Å; P42-W50 HydrophobicContact CG-CE3 4.2Å; P42-W50 HydrophobicContact CG-CG 4.28Å; R47-W50 HydrophobicContact CB-CE3 4.33Å; R47-W50 HydrophobicContact CG-CE3 4.13Å; R47-W50 HydrophobicContact CG-CZ3 4.32Å; R47-W50 PolarHBondContact O-N 3.19Å; K48-W50 VanDerWaalsContact C-N 3.33Å; K48-W50 PolarHBondContact O-N 2.95Å; W50-P52 HydrophobicContact CH2-CB 3.95Å; W50-P52 HydrophobicContact CH2-CG 4.18Å; W50-P52 HydrophobicContact CZ2-CB 3.9Å; W50-P52 HydrophobicContact CZ3-CG 4.36Å; W50-D57 VanDerWaalsContact CH2-O 3.25Å; W50-D57 WeakPolarHBondContact CH2-O 3.36Å; W50-D57 HydrophobicContact CZ2-CB 4Å; W50-D57 WeakPolarHBondContact CZ2-O 3.37Å; W50-F64 AromaticContact CH2-CD2 3.99Å; W50-F64 HydrophobicContact CH2-CD2 3.99Å; W50-F64 AromaticContact CH2-CE2 3.37Å; W50-F64 HydrophobicContact CH2-CE2 3.37Å; W50-F64 AromaticContact CH2-CZ 3.98Å; W50-F64 HydrophobicContact CH2-CZ 3.98Å; W50-F64 AromaticContact CZ3-CD2 3.64Å; W50-F64 HydrophobicContact CZ3-CD2 3.64Å; W50-F64 AromaticContact CZ3-CE2 3.45Å; W50-F64 HydrophobicContact CZ3-CE2 3.45Å; W50-F64 VanDerWaalsContact CZ3-CE2 3.45Å; W50-F64 HydrophobicContact CZ3-CG 4.37Å; W50-F64 HydrophobicContact CZ3-CZ 4.04Å; W50-I67 HydrophobicContact CE3-CD1 3.74Å; W50-I67 HydrophobicContact CZ3-CD1 3.95Å; W50-I67 WeakPolarHBondContact O-CD1 3.34Å
51I90.8Very high88.1Confident85 Ų8588.1 Ų88.144%0.43646%0.463SS..  trans-130.3105.5-175.6-55.4175.5000108.6R53 V69I51-R53 HydrophobicContact CG2-CG 4.38Å; I51-V69 HydrophobicContact CG2-CB 4.5Å; I51-V69 HydrophobicContact CG2-CG1 3.93Å
52P89.3Confident88.3Confident4 Ų488.7 Ų88.73%0.02648%0.475CS..  trans-74128.6178.830.4-34.5000110.4W50 D57 F58 F64 I67 Q71W50-P52 HydrophobicContact CH2-CB 3.95Å; W50-P52 HydrophobicContact CH2-CG 4.18Å; W50-P52 HydrophobicContact CZ2-CB 3.9Å; W50-P52 HydrophobicContact CZ3-CG 4.36Å; P52-D57 WeakPolarHBondContact CA-OD2 3.14Å; P52-D57 HydrophobicContact CB-CB 3.49Å; P52-D57 VanDerWaalsContact CB-CB 3.49Å; P52-F58 HydrophobicContact CB-CD1 4.03Å; P52-F58 HydrophobicContact CB-CE1 3.48Å; P52-F58 VanDerWaalsContact CB-CE1 3.48Å; P52-F58 HydrophobicContact CB-CE2 4.46Å; P52-F58 HydrophobicContact CB-CZ 3.73Å; P52-F58 HydrophobicContact CG-CD1 4.24Å; P52-F58 HydrophobicContact CG-CE1 3.48Å; P52-F58 VanDerWaalsContact CG-CE1 3.48Å; P52-F58 HydrophobicContact CG-CZ 4.01Å; P52-F64 HydrophobicContact CG-CD2 4.01Å; P52-F64 HydrophobicContact CG-CE2 4.32Å; P52-I67 HydrophobicContact CG-CD1 4.18Å; P52-Q71 HydrophobicContact CG-CG 4.04Å
53R87.1Confident88.5Confident195 Ų19589.6 Ų89.674%0.73649%0.485SS*.  trans-126.4-33.7-179.4-67.9-177.7178179.4-0112.7I51 D57I51-R53 HydrophobicContact CG2-CG 4.38Å; R53-D57 PolarHBondContact N-OD2 2.8Å
54L89.5Confident88.6Confident100 Ų10086.2 Ų86.252%0.52446%0.462SS..SBendtrans-90.8158178.4-74.5135.5000110.4E56 D57 F58L54-E56 PolarHBondContact O-N 3.37Å; L54-D57 PolarHBondContact N-OD2 3.36Å; L54-D57 WeakPolarHBondContact O-CB 3.37Å; L54-D57 PolarHBondContact O-N 3.3Å; L54-F58 WeakPolarHBondContact O-CD2 3.14Å; L54-F58 VanDerWaalsContact O-CE2 3.28Å; L54-F58 WeakPolarHBondContact O-CE2 3.27Å
55L88.7Confident88.7Confident86 Ų8682.5 Ų82.545%0.4546%0.461SS..G310 helixtrans-62-31177.8-81.473000111.8D57L55-D57 VanDerWaalsContact C-N 3.31Å; L55-D57 PolarHBondContact O-N 2.77Å
56E87.8Confident88.8Confident136 Ų13683.4 Ų83.464%0.63645%0.451SS*.G310 helixtrans-71.9-22.2-179.6-62177.6-177.900113.3L54 F58 G59L54-E56 PolarHBondContact O-N 3.37Å; E56-F58 PolarHBondContact O-N 3.26Å; E56-G59 PolarHBondContact O-N 3.05Å
57D89.7Confident88.8Confident16 Ų1675.5 Ų75.59%0.08642%0.421CS..G310 helixtrans-68-18.9-177.1-64-29.6000112.1R39 W50 P52 R53 L54 L55R39-D57 IonicContact NH1-OD1 3.97Å; W50-D57 VanDerWaalsContact CH2-O 3.25Å; W50-D57 WeakPolarHBondContact CH2-O 3.36Å; W50-D57 HydrophobicContact CZ2-CB 4Å; W50-D57 WeakPolarHBondContact CZ2-O 3.37Å; P52-D57 WeakPolarHBondContact CA-OD2 3.14Å; P52-D57 HydrophobicContact CB-CB 3.49Å; P52-D57 VanDerWaalsContact CB-CB 3.49Å; R53-D57 PolarHBondContact N-OD2 2.8Å; L54-D57 PolarHBondContact N-OD2 3.36Å; L54-D57 WeakPolarHBondContact O-CB 3.37Å; L54-D57 PolarHBondContact O-N 3.3Å; L55-D57 VanDerWaalsContact C-N 3.31Å; L55-D57 PolarHBondContact O-N 2.77Å
58F89Confident89Confident7 Ų782.1 Ų82.13%0.03145%0.453CS..G310 helixtrans-89.1-1.4-177.5-55.4-72.5000113.5P52 L54 E56 D60 G61 G62 F64 Q71 P73P52-F58 HydrophobicContact CB-CD1 4.03Å; P52-F58 HydrophobicContact CB-CE1 3.48Å; P52-F58 VanDerWaalsContact CB-CE1 3.48Å; P52-F58 HydrophobicContact CB-CE2 4.46Å; P52-F58 HydrophobicContact CB-CZ 3.73Å; P52-F58 HydrophobicContact CG-CD1 4.24Å; P52-F58 HydrophobicContact CG-CE1 3.48Å; P52-F58 VanDerWaalsContact CG-CE1 3.48Å; P52-F58 HydrophobicContact CG-CZ 4.01Å; L54-F58 WeakPolarHBondContact O-CD2 3.14Å; L54-F58 VanDerWaalsContact O-CE2 3.28Å; L54-F58 WeakPolarHBondContact O-CE2 3.27Å; E56-F58 PolarHBondContact O-N 3.26Å; F58-D60 PolarHBondContact O-N 2.75Å; F58-D60 VanDerWaalsContact O-N 3.16Å; F58-G61 CarbonylContact O-C 3.58Å; F58-G61 PolarHBondContact O-N 2.87Å; F58-G61 VanDerWaalsContact O-O 3.05Å; F58-G62 WeakPolarHBondContact CD1-O 3.14Å; F58-F64 HydrophobicContact CD1-CD2 4.35Å; F58-F64 AromaticContact CD1-CE2 3.78Å; F58-F64 HydrophobicContact CD1-CE2 3.78Å; F58-F64 HydrophobicContact CE1-CE2 4.36Å; F58-Q71 HydrophobicContact CE1-CB 3.78Å; F58-Q71 HydrophobicContact CE1-CG 4Å; F58-Q71 HydrophobicContact CZ-CB 3.85Å; F58-Q71 HydrophobicContact CZ-CG 4.22Å; F58-P73 HydrophobicContact CB-CB 4.5Å; F58-P73 HydrophobicContact CD1-CG 3.99Å; F58-P73 HydrophobicContact CD2-CB 4.27Å; F58-P73 HydrophobicContact CD2-CG 4.3Å; F58-P73 HydrophobicContact CE1-CG 4.18Å; F58-P73 HydrophobicContact CE2-CG 4.48Å; F58-P73 HydrophobicContact CG-CB 4.22Å; F58-P73 HydrophobicContact CG-CG 4.06Å; F58-P73 HydrophobicContact CZ-CG 4.43Å
59G85.2Confident89.2Confident43 Ų4375.6 Ų75.644%0.44343%0.431SS..THydrogen-bonded Turntrans62-115-173.500000111.7E56 G61E56-G59 PolarHBondContact O-N 3.05Å; G59-G61 PolarHBondContact O-N 3.47Å
60D85.5Confident89.5Confident175 Ų17574.8 Ų74.894%0.93642%0.416SS*.THydrogen-bonded Turntrans-82.96.8174.7-161.341.4000113.2F58F58-D60 PolarHBondContact O-N 2.75Å; F58-D60 VanDerWaalsContact O-N 3.16Å
61G88.5Confident89.6Confident24 Ų2473 Ų7325%0.24741%0.41CS..  trans108.3-167.3-179.400000113.1F58 G59F58-G61 CarbonylContact O-C 3.58Å; F58-G61 PolarHBondContact O-N 2.87Å; F58-G61 VanDerWaalsContact O-O 3.05Å; G59-G61 PolarHBondContact O-N 3.47Å
62G89.5Confident89.7Confident44 Ų4472.9 Ų72.945%0.45441%0.405SS..  trans90.3136.7-172.500000112.5F58 P73F58-G62 WeakPolarHBondContact CD1-O 3.14Å; G62-P73 VanDerWaalsContact C-CG 3.45Å; G62-P73 WeakPolarHBondContact O-CG 3.41Å
63A91.9Very high89.8Confident55 Ų5573.2 Ų73.246%0.45541%0.407SS..  trans-100.6141.2173.400000109P65 Q71 P73A63-P65 VanDerWaalsContact O-CD 3.32Å; A63-P65 WeakPolarHBondContact O-CD 3.31Å; A63-Q71 HydrophobicContact CB-CB 3.85Å; A63-P73 HydrophobicContact CB-CG 3.98Å
64F91.6Very high90Very high16 Ų1669.6 Ų69.67%0.0740%0.401CS..  trans-95.2104.7-174.9-52.6-69.6000110P41 W50 P52 F58 E66 I67 Q71P41-F64 HydrophobicContact CB-CE1 4.36Å; P41-F64 HydrophobicContact CB-CE2 4.21Å; P41-F64 HydrophobicContact CB-CZ 3.59Å; P41-F64 HydrophobicContact CG-CZ 3.96Å; W50-F64 AromaticContact CH2-CD2 3.99Å; W50-F64 HydrophobicContact CH2-CD2 3.99Å; W50-F64 AromaticContact CH2-CE2 3.37Å; W50-F64 HydrophobicContact CH2-CE2 3.37Å; W50-F64 AromaticContact CH2-CZ 3.98Å; W50-F64 HydrophobicContact CH2-CZ 3.98Å; W50-F64 AromaticContact CZ3-CD2 3.64Å; W50-F64 HydrophobicContact CZ3-CD2 3.64Å; W50-F64 AromaticContact CZ3-CE2 3.45Å; W50-F64 HydrophobicContact CZ3-CE2 3.45Å; W50-F64 VanDerWaalsContact CZ3-CE2 3.45Å; W50-F64 HydrophobicContact CZ3-CG 4.37Å; W50-F64 HydrophobicContact CZ3-CZ 4.04Å; P52-F64 HydrophobicContact CG-CD2 4.01Å; P52-F64 HydrophobicContact CG-CE2 4.32Å; F58-F64 HydrophobicContact CD1-CD2 4.35Å; F58-F64 AromaticContact CD1-CE2 3.78Å; F58-F64 HydrophobicContact CD1-CE2 3.78Å; F58-F64 HydrophobicContact CE1-CE2 4.36Å; F64-E66 PolarHBondContact O-N 3.32Å; F64-I67 HydrophobicContact CB-CD1 3.79Å; F64-I67 HydrophobicContact CB-CG1 3.96Å; F64-I67 HydrophobicContact CD2-CD1 4.02Å; F64-I67 HydrophobicContact CG-CD1 4.19Å; F64-I67 PolarHBondContact O-N 3.27Å; F64-Q71 PolarHBondContact O-NE2 3.49Å
65P92Very high90.1Very high111 Ų11167.1 Ų67.172%0.72139%0.389SS*.THydrogen-bonded Turntrans-62.7-23.4-175.326.2-35.8000113.6A63 I67 H68A63-P65 VanDerWaalsContact O-CD 3.32Å; A63-P65 WeakPolarHBondContact O-CD 3.31Å; P65-I67 PolarHBondContact O-N 3.16Å; P65-H68 PolarHBondContact O-CD2 3.08Å
66E90.8Very high90.2Very high72 Ų7268.8 Ų68.834%0.33640%0.396SS..THydrogen-bonded Turntrans-70.6-15175.767.7-85.9-153.100113.7R47 F64R47-E66 WeakPolarHBondContact CD-OE1 3.39Å; R47-E66 IonicContact CZ-OE1 3.85Å; R47-E66 IonicContact NE-OE1 2.65Å; R47-E66 IonicContact NH1-OE1 3.3Å; R47-E66 PolarHBondContact NH1-OE1 3.49Å; F64-E66 PolarHBondContact O-N 3.32Å
67I90.1Very high90.3Very high20 Ų2065.8 Ų65.810%0.10340%0.401CS..SBendtrans-101.4104.5175.4-49175000107.4W50 P52 F64 P65 V69 Q71W50-I67 HydrophobicContact CE3-CD1 3.74Å; W50-I67 HydrophobicContact CZ3-CD1 3.95Å; W50-I67 WeakPolarHBondContact O-CD1 3.34Å; P52-I67 HydrophobicContact CG-CD1 4.18Å; F64-I67 HydrophobicContact CB-CD1 3.79Å; F64-I67 HydrophobicContact CB-CG1 3.96Å; F64-I67 HydrophobicContact CD2-CD1 4.02Å; F64-I67 HydrophobicContact CG-CD1 4.19Å; F64-I67 PolarHBondContact O-N 3.27Å; P65-I67 PolarHBondContact O-N 3.16Å; I67-V69 HydrophobicContact CG2-CG1 3.88Å; I67-V69 PolarHBondContact O-N 3.41Å; I67-Q71 PolarHBondContact O-NE2 3.24Å
68H91.1Very high90.4Very high187 Ų18770.4 Ų70.487%0.86642%0.418SS*.  trans-76.252.9-174.7-57.3169.1000113.3P65P65-H68 PolarHBondContact O-CD2 3.08Å
69V90.7Very high90.6Very high66 Ų6680.3 Ų80.340%0.446%0.461SS..SBendtrans-127.4148.1170.475.30000108.6I51 I67 Q71I51-V69 HydrophobicContact CG2-CB 4.5Å; I51-V69 HydrophobicContact CG2-CG1 3.93Å; I67-V69 HydrophobicContact CG2-CG1 3.88Å; I67-V69 PolarHBondContact O-N 3.41Å; V69-Q71 HydrophobicContact CG1-CG 3.75Å; V69-Q71 WeakPolarHBondContact O-CG 3.14Å; V69-Q71 PolarHBondContact O-N 3.4Å; V69-Q71 VanDerWaalsContact O-N 3.14Å; V69-Q71 PolarHBondContact O-NE2 2.8Å
70A91.6Very high90.8Very high65 Ų6585.1 Ų85.154%0.53747%0.469SS..  trans-66.8114.517300000109.9Y72A70-Y72 HydrophobicContact CB-CE1 4.35Å; A70-Y72 HydrophobicContact CB-CE2 4.1Å; A70-Y72 WeakPolarHBondContact CB-OH 3.24Å
71Q92Very high91.1Very high25 Ų2586.3 Ų86.312%0.11747%0.466CS..  trans-107.7138.3-178.1-67.9163.661.100109P52 F58 A63 F64 I67 V69 P73P52-Q71 HydrophobicContact CG-CG 4.04Å; F58-Q71 HydrophobicContact CE1-CB 3.78Å; F58-Q71 HydrophobicContact CE1-CG 4Å; F58-Q71 HydrophobicContact CZ-CB 3.85Å; F58-Q71 HydrophobicContact CZ-CG 4.22Å; A63-Q71 HydrophobicContact CB-CB 3.85Å; F64-Q71 PolarHBondContact O-NE2 3.49Å; I67-Q71 PolarHBondContact O-NE2 3.24Å; V69-Q71 HydrophobicContact CG1-CG 3.75Å; V69-Q71 WeakPolarHBondContact O-CG 3.14Å; V69-Q71 PolarHBondContact O-N 3.4Å; V69-Q71 VanDerWaalsContact O-N 3.14Å; V69-Q71 PolarHBondContact O-NE2 2.8Å; Q71-P73 VanDerWaalsContact C-CD 3.46Å; Q71-P73 WeakPolarHBondContact O-CD 3.28Å
72Y93Very high91.3Very high83 Ų8394.6 Ų94.633%0.32550%0.501SS..  trans-128.168.4-175.1-53.4-66000111.3A70 L74 D75 M76 R78A70-Y72 HydrophobicContact CB-CE1 4.35Å; A70-Y72 HydrophobicContact CB-CE2 4.1Å; A70-Y72 WeakPolarHBondContact CB-OH 3.24Å; Y72-L74 PolarHBondContact O-N 2.81Å; Y72-D75 PolarHBondContact O-N 2.82Å; Y72-M76 WeakPolarHBondContact CB-O 3.43Å; Y72-M76 WeakPolarHBondContact CD1-O 3.47Å; Y72-R78 HydrophobicContact CD1-CG 3.73Å; Y72-R78 HydrophobicContact CD2-CG 3.81Å; Y72-R78 HydrophobicContact CE1-CG 4.07Å; Y72-R78 HydrophobicContact CE2-CG 4.16Å; Y72-R78 HydrophobicContact CG-CG 3.54Å
73P91.1Very high91.3Very high11 Ų1196.6 Ų96.67%0.07151%0.508CS..G310 helixtrans-53.4131.7170.6-19.630.1000110F58 G62 A63 Q71 D75 M76F58-P73 HydrophobicContact CB-CB 4.5Å; F58-P73 HydrophobicContact CD1-CG 3.99Å; F58-P73 HydrophobicContact CD2-CB 4.27Å; F58-P73 HydrophobicContact CD2-CG 4.3Å; F58-P73 HydrophobicContact CE1-CG 4.18Å; F58-P73 HydrophobicContact CE2-CG 4.48Å; F58-P73 HydrophobicContact CG-CB 4.22Å; F58-P73 HydrophobicContact CG-CG 4.06Å; F58-P73 HydrophobicContact CZ-CG 4.43Å; G62-P73 VanDerWaalsContact C-CG 3.45Å; G62-P73 WeakPolarHBondContact O-CG 3.41Å; A63-P73 HydrophobicContact CB-CG 3.98Å; Q71-P73 VanDerWaalsContact C-CD 3.46Å; Q71-P73 WeakPolarHBondContact O-CD 3.28Å; P73-D75 PolarHBondContact O-N 3.43Å; P73-D75 VanDerWaalsContact O-N 3.13Å; P73-M76 WeakPolarHBondContact O-CB 3.4Å; P73-M76 PolarHBondContact O-N 2.78Å
74L90.3Very high91.4Very high119 Ų119102.6 Ų102.662%0.62353%0.533SS*.G310 helixtrans52.130.4-175.7-76.568.4000114.2Y72 M76Y72-L74 PolarHBondContact O-N 2.81Å; L74-M76 HydrophobicContact CB-CE 4.36Å; L74-M76 HydrophobicContact CB-CG 4.42Å; L74-M76 PolarHBondContact O-N 3.22Å
75D91.8Very high91.5Very high49 Ų49105.4 Ų105.426%0.26256%0.559SS.*G310 helixtrans55.820.8-175.4-71.9-54.4000114.4Y72 P73 R78 K80Y72-D75 PolarHBondContact O-N 2.82Å; P73-D75 PolarHBondContact O-N 3.43Å; P73-D75 VanDerWaalsContact O-N 3.13Å; D75-R78 WeakPolarHBondContact OD1-CD 3.48Å; D75-R78 IonicContact OD1-CZ 3.64Å; D75-R78 IonicContact OD1-NE 3.71Å; D75-R78 PolarHBondContact OD1-NE 2.92Å; D75-R78 IonicContact OD1-NH1 2.77Å; D75-R78 PolarHBondContact OD1-NH1 3.15Å; D75-K80 WeakPolarHBondContact O-CE 3.14Å
76M91.6Very high91.5Very high121 Ų121104.3 Ų104.360%0.59655%0.546SS*.THydrogen-bonded Turntrans-69.1146.2172.3-66.6-167.7-8100109.9Y72 P73 L74 R78Y72-M76 WeakPolarHBondContact CB-O 3.43Å; Y72-M76 WeakPolarHBondContact CD1-O 3.47Å; P73-M76 WeakPolarHBondContact O-CB 3.4Å; P73-M76 PolarHBondContact O-N 2.78Å; L74-M76 HydrophobicContact CB-CE 4.36Å; L74-M76 HydrophobicContact CB-CG 4.42Å; L74-M76 PolarHBondContact O-N 3.22Å; M76-R78 PolarHBondContact O-N 2.86Å
77G89.8Confident91.6Very high73 Ų73104.5 Ų104.575%0.75356%0.56SS**THydrogen-bonded Turntrans79.7-9.6179.200000115.9
78R91.7Very high91.8Very high113 Ų113110 Ų11043%0.42659%0.588SS.*SBendtrans-72.2140.4170.2-67.3-171.1170.2179.7-6111Y72 D75 M76 K80Y72-R78 HydrophobicContact CD1-CG 3.73Å; Y72-R78 HydrophobicContact CD2-CG 3.81Å; Y72-R78 HydrophobicContact CE1-CG 4.07Å; Y72-R78 HydrophobicContact CE2-CG 4.16Å; Y72-R78 HydrophobicContact CG-CG 3.54Å; D75-R78 WeakPolarHBondContact OD1-CD 3.48Å; D75-R78 IonicContact OD1-CZ 3.64Å; D75-R78 IonicContact OD1-NE 3.71Å; D75-R78 PolarHBondContact OD1-NE 2.92Å; D75-R78 IonicContact OD1-NH1 2.77Å; D75-R78 PolarHBondContact OD1-NH1 3.15Å; M76-R78 PolarHBondContact O-N 2.86Å; R78-K80 PolarHBondContact O-N 3.33Å; R78-K80 VanDerWaalsContact O-N 3.08Å
79K92.3Very high92Very high214 Ų214105.8 Ų105.893%0.9357%0.569SS**  trans-64110.2172.1-172.2177.6-177.1179.50109.5
80K90Very high92.2Very high145 Ų145106.4 Ų106.463%0.6357%0.573SS**PPolyproline II helixtrans-80.3161.2177.1-55.9-65.2171111.80110.5D75 R78D75-K80 WeakPolarHBondContact O-CE 3.14Å; R78-K80 PolarHBondContact O-N 3.33Å; R78-K80 VanDerWaalsContact O-N 3.08Å
81K92.2Very high92.3Very high199 Ų199105.3 Ų105.387%0.86556%0.558SS**PPolyproline II helixtrans-64.5146.9169.7-66.8-179.4177.4176.70109.5S83K81-S83 PolarHBondContact O-N 2.8Å; K81-S83 VanDerWaalsContact O-N 3.15Å
82M91.9Very high92.5Very high198 Ų198110.2 Ų110.298%0.97560%0.595SS**PPolyproline II helixtrans-60.9117.9167.9-66.8179.668.200108
83S90.7Very high92.6Very high87 Ų87113.6 Ų113.661%0.60861%0.614SS**  trans-121.1142.8-173.8-176.90000110.1K81 A85K81-S83 PolarHBondContact O-N 2.8Å; K81-S83 VanDerWaalsContact O-N 3.15Å; S83-A85 PolarHBondContact O-N 3.39Å; S83-A85 WeakPolarHBondContact OG-CB 3.49Å; S83-A85 PolarHBondContact OG-N 3.49Å
84N93.8Very high92.7Very high181 Ų181115.6 Ų115.697%0.96864%0.636SS**SBendtrans-80.2-2.5172-66.5-26000112.5
85A92.2Very high92.9Very high75 Ų75113.4 Ų113.462%0.6262%0.622SS**SBendtrans-75131.6177.200000110.7S83S83-A85 PolarHBondContact O-N 3.39Å; S83-A85 WeakPolarHBondContact OG-CB 3.49Å; S83-A85 PolarHBondContact OG-N 3.49Å
86L92.1Very high93.1Very high87 Ų87114.6 Ų114.646%0.45563%0.627SS.*PPolyproline II helixtrans-62.5144164.668.689.3000109.4I88 A100L86-I88 PolarHBondContact O-N 2.97Å; L86-A100 HydrophobicContact CD1-CB 4.39Å
87A93.3Very high93.3Very high77 Ų77112.8 Ų112.864%0.63662%0.616SS**PPolyproline II helixtrans-61.8128.9177.100000109.8Q89A87-Q89 PolarHBondContact O-N 3.26Å
88I95Very high93.5Very high134 Ų134116.6 Ų116.669%0.68761%0.609SS**PPolyproline II helixtrans-63.2122.9173.6-61.2177.2000107.6L86 I96L86-I88 PolarHBondContact O-N 2.97Å; I88-I96 HydrophobicContact CG2-CG2 3.59Å
89Q94.9Very high93.6Very high100 Ų100112.4 Ų112.447%0.46760%0.595SS.*PPolyproline II helixtrans-103.7146.9179.8-63.2174.710.400109.4A87 K97A87-Q89 PolarHBondContact O-N 3.26Å; Q89-K97 HydrophobicContact CB-CB 4.16Å; Q89-K97 HydrophobicContact CB-CD 4.06Å; Q89-K97 HydrophobicContact CB-CG 4.46Å; Q89-K97 PolarHBondContact O-N 3.48Å
90V95.9Very high93.6Very high79 Ų79103 Ų10348%0.47956%0.558SS.*BIsolated β-bridgetrans-116.1145.1174.1-173.70000107.7G94 K95V90-G94 VanDerWaalsContact CG1-CA 3.46Å; V90-G94 WeakPolarHBondContact CG1-O 3.41Å; V90-K95 CarbonylContact C-O 3.57Å; V90-K95 WeakPolarHBondContact CA-O 3.32Å; V90-K95 WeakPolarHBondContact CG1-O 3.43Å
91D93.8Very high93.8Very high42 Ų42101.6 Ų101.623%0.22556%0.555CS.*  trans-82.7179.1173.167.517.3000112.8E93 G94 K95 K97D91-E93 PolarHBondContact O-N 3.31Å; D91-E93 WeakPolarHBondContact OD1-CA 3.35Å; D91-E93 WeakPolarHBondContact OD1-CB 3.43Å; D91-E93 PolarHBondContact OD1-N 3.33Å; D91-G94 PolarHBondContact O-N 2.89Å; D91-G94 PolarHBondContact OD1-N 3.22Å; D91-K95 PolarHBondContact N-O 3.18Å; D91-K95 PolarHBondContact OD1-N 2.99Å; D91-K97 HydrophobicContact CB-CD 4.36Å; D91-K97 HydrophobicContact CB-CG 4.06Å
92S95.7Very high93.9Very high128 Ų12893 Ų9390%0.89552%0.522SS*.THydrogen-bonded Turntrans-66.7-19.5178.548.60000113.1
93E95Very high93.9Very high154 Ų15487 Ų8772%0.7249%0.488SS*.THydrogen-bonded Turntrans-88.3-8177.3-61.6-173.9172.700112.4D91D91-E93 PolarHBondContact O-N 3.31Å; D91-E93 WeakPolarHBondContact OD1-CA 3.35Å; D91-E93 WeakPolarHBondContact OD1-CB 3.43Å; D91-E93 PolarHBondContact OD1-N 3.33Å
94G93.8Very high94Very high52 Ų5289.1 Ų89.154%0.53649%0.488SS..SBendtrans91.25.9-178.400000114.4V90 D91V90-G94 VanDerWaalsContact CG1-CA 3.46Å; V90-G94 WeakPolarHBondContact CG1-O 3.41Å; D91-G94 PolarHBondContact O-N 2.89Å; D91-G94 PolarHBondContact OD1-N 3.22Å
95K94.7Very high93.9Very high73 Ų7384.1 Ų84.132%0.31748%0.479SS..  trans-81.8141.6175.6-56.3-170.7178.2-132.80110.9E19 V90 D91 K97E19-K95 IonicContact OE1-NZ 3.7Å; E19-K95 PolarHBondContact OE1-NZ 3.03Å; E19-K95 IonicContact OE2-NZ 3.2Å; E19-K95 PolarHBondContact OE2-NZ 2.95Å; V90-K95 CarbonylContact C-O 3.57Å; V90-K95 WeakPolarHBondContact CA-O 3.32Å; V90-K95 WeakPolarHBondContact CG1-O 3.43Å; D91-K95 PolarHBondContact N-O 3.18Å; D91-K95 PolarHBondContact OD1-N 2.99Å; K95-K97 PolarHBondContact O-N 3.24Å
96I95.9Very high94Very high75 Ų7582 Ų8239%0.38546%0.457SS..BIsolated β-bridgetrans-69.5126.3174.1-64172000109.1I88 Y98I88-I96 HydrophobicContact CG2-CG2 3.59Å; I96-Y98 VanDerWaalsContact C-N 3.27Å; I96-Y98 HydrophobicContact CB-CD2 4.23Å; I96-Y98 HydrophobicContact CB-CE2 3.71Å; I96-Y98 HydrophobicContact CG2-CD1 4.13Å; I96-Y98 HydrophobicContact CG2-CD2 4.1Å; I96-Y98 HydrophobicContact CG2-CE1 3.8Å; I96-Y98 HydrophobicContact CG2-CE2 3.77Å; I96-Y98 HydrophobicContact CG2-CG 4.28Å; I96-Y98 WeakPolarHBondContact O-CD2 3.45Å; I96-Y98 PolarHBondContact O-N 3.05Å
97K94.7Very high94.1Very high83 Ų8381.3 Ų81.336%0.36146%0.459SS..  trans-77.671.1179.7-66.9-176.3178.4168.40111.7Q89 D91 K95 D99 A100Q89-K97 HydrophobicContact CB-CB 4.16Å; Q89-K97 HydrophobicContact CB-CD 4.06Å; Q89-K97 HydrophobicContact CB-CG 4.46Å; Q89-K97 PolarHBondContact O-N 3.48Å; D91-K97 HydrophobicContact CB-CD 4.36Å; D91-K97 HydrophobicContact CB-CG 4.06Å; K95-K97 PolarHBondContact O-N 3.24Å; K97-D99 PolarHBondContact O-N 3.02Å; K97-A100 VanDerWaalsContact O-CB 3.23Å; K97-A100 WeakPolarHBondContact O-CB 3.28Å; K97-A100 PolarHBondContact O-N 3.2Å
98Y95Very high94.1Very high153 Ų15387.2 Ų87.260%0.647%0.47SS*.THydrogen-bonded Turntrans-59.3-25.1169.6-62.5-70.7000112.2I96 A100 I101I96-Y98 VanDerWaalsContact C-N 3.27Å; I96-Y98 HydrophobicContact CB-CD2 4.23Å; I96-Y98 HydrophobicContact CB-CE2 3.71Å; I96-Y98 HydrophobicContact CG2-CD1 4.13Å; I96-Y98 HydrophobicContact CG2-CD2 4.1Å; I96-Y98 HydrophobicContact CG2-CE1 3.8Å; I96-Y98 HydrophobicContact CG2-CE2 3.77Å; I96-Y98 HydrophobicContact CG2-CG 4.28Å; I96-Y98 WeakPolarHBondContact O-CD2 3.45Å; I96-Y98 PolarHBondContact O-N 3.05Å; Y98-A100 PolarHBondContact O-N 3.03Å; Y98-I101 WeakPolarHBondContact O-CB 3.42Å; Y98-I101 PolarHBondContact O-N 2.91Å
99D93.1Very high94Very high24 Ų2486.6 Ų86.613%0.12847%0.469CS..Hα-helixtrans-51.9-23.2169.7-57.8-12.7000114.2K97 I101 A102 R103 S114 K115K97-D99 PolarHBondContact O-N 3.02Å; D99-I101 PolarHBondContact O-N 2.92Å; D99-A102 PolarHBondContact O-N 3.21Å; D99-A102 VanDerWaalsContact O-N 3.12Å; D99-R103 WeakPolarHBondContact O-CB 3.49Å; D99-R103 WeakPolarHBondContact O-CG 3.23Å; D99-R103 PolarHBondContact O-N 3.26Å; D99-S114 WeakPolarHBondContact CB-OG 3.28Å; D99-S114 VanDerWaalsContact OD1-CB 3.31Å; D99-S114 WeakPolarHBondContact OD1-CB 3.31Å; D99-S114 PolarHBondContact OD1-OG 2.73Å; D99-S114 PolarHBondContact OD2-OG 2.6Å; D99-K115 IonicContact OD2-NZ 3.72Å; D99-K115 PolarHBondContact OD2-NZ 3.18Å
100A93.1Very high94Very high18 Ų1886.3 Ų86.315%0.14947%0.466CS..Hα-helixtrans-59.4-26.8176.400000112.6L86 K97 Y98 Q104L86-A100 HydrophobicContact CD1-CB 4.39Å; K97-A100 VanDerWaalsContact O-CB 3.23Å; K97-A100 WeakPolarHBondContact O-CB 3.28Å; K97-A100 PolarHBondContact O-N 3.2Å; Y98-A100 PolarHBondContact O-N 3.03Å; A100-Q104 PolarHBondContact O-N 3.4Å
101I93.8Very high93.9Very high114 Ų11487 Ų8759%0.58547%0.47SS*.Hα-helixtrans-66.6-50.5173.8-61.2172.3000110Y98 D99 R103 Q104Y98-I101 WeakPolarHBondContact O-CB 3.42Å; Y98-I101 PolarHBondContact O-N 2.91Å; D99-I101 PolarHBondContact O-N 2.92Å; I101-R103 VanDerWaalsContact C-N 3.28Å; I101-R103 PolarHBondContact O-N 3.13Å; I101-Q104 VanDerWaalsContact O-CB 3.28Å; I101-Q104 WeakPolarHBondContact O-CB 3.39Å; I101-Q104 PolarHBondContact O-N 3.12Å
102A92.9Very high94Very high19 Ų1985.6 Ų85.616%0.15746%0.462CS..Hα-helixtrans-66.8-30.8-18000000112.5D99 Q104 I112 P228D99-A102 PolarHBondContact O-N 3.21Å; D99-A102 VanDerWaalsContact O-N 3.12Å; A102-Q104 VanDerWaalsContact C-N 3.33Å; A102-I112 HydrophobicContact CB-CG2 4.14Å; A102-I112 WeakPolarHBondContact O-CD1 3.32Å; A102-P228 HydrophobicContact CB-CG 3.65Å
103R93.1Very high94Very high73 Ų7386.6 Ų86.628%0.27545%0.448SS..THydrogen-bonded Turntrans-81.2-8.5178.2-69.2171.6-179.4-83-4114.1D99 I101 G105 Q106 K110 I112D99-R103 WeakPolarHBondContact O-CB 3.49Å; D99-R103 WeakPolarHBondContact O-CG 3.23Å; D99-R103 PolarHBondContact O-N 3.26Å; I101-R103 VanDerWaalsContact C-N 3.28Å; I101-R103 PolarHBondContact O-N 3.13Å; R103-G105 PolarHBondContact O-N 3.29Å; R103-Q106 PolarHBondContact O-N 3.17Å; R103-K110 PolarHBondContact NH1-O 2.97Å; R103-I112 HydrophobicContact CB-CD1 4.14Å; R103-I112 HydrophobicContact CG-CB 4.26Å; R103-I112 HydrophobicContact CG-CD1 3.6Å; R103-I112 HydrophobicContact CG-CG1 4.16Å; R103-I112 PolarHBondContact NH2-O 2.97Å
104Q92.3Very high94Very high130 Ų13080.7 Ų80.761%0.60742%0.423SS*.THydrogen-bonded Turntrans-57.7126.4-179.7-175.8175-2.400110.9A100 I101 A102 Q106 P225A100-Q104 PolarHBondContact O-N 3.4Å; I101-Q104 VanDerWaalsContact O-CB 3.28Å; I101-Q104 WeakPolarHBondContact O-CB 3.39Å; I101-Q104 PolarHBondContact O-N 3.12Å; A102-Q104 VanDerWaalsContact C-N 3.33Å; Q104-Q106 PolarHBondContact O-N 2.83Å; Q104-P225 WeakPolarHBondContact O-CG 3.41Å
105G91.9Very high94Very high76 Ų7681.7 Ų81.778%0.78441%0.413SS*.THydrogen-bonded Turntrans80.4-2.5-179.700000114.8R103R103-G105 PolarHBondContact O-N 3.29Å
106Q93.9Very high93.9Very high31 Ų3183.8 Ų83.815%0.14542%0.42CS..SBendtrans-102159.4170.3-53.4-163.71800110R103 Q104 K110 I112 P225R103-Q106 PolarHBondContact O-N 3.17Å; Q104-Q106 PolarHBondContact O-N 2.83Å; Q106-K110 HydrophobicContact CB-CD 4.35Å; Q106-I112 HydrophobicContact CB-CD1 4.23Å; Q106-I112 HydrophobicContact CG-CD1 4.07Å; Q106-P225 HydrophobicContact CG-CB 4.4Å; Q106-P225 HydrophobicContact CG-CG 3.96Å; Q106-P225 PolarHBondContact NE2-O 3.21Å
107S94Very high93.8Very high72 Ų7284.2 Ų84.250%0.50343%0.426SS..  trans-70.9153175.1-168.60000110.8D109 K110S107-D109 WeakPolarHBondContact CB-OD1 2.99Å; S107-D109 PolarHBondContact O-N 3.17Å; S107-D109 PolarHBondContact OG-OD1 2.92Å; S107-K110 WeakPolarHBondContact O-CB 3.34Å; S107-K110 PolarHBondContact O-N 3.25Å; S107-K110 VanDerWaalsContact O-N 3.14Å
108K93.2Very high93.7Very high201 Ų20183.2 Ų83.287%0.87443%0.425SS*.THydrogen-bonded Turntrans-62.8-29.1-176.961.1176.7-179.8174.10113.8
109D93.5Very high93.7Very high122 Ų12279 Ų7965%0.65241%0.412SS*.THydrogen-bonded Turntrans-84-17.8179.361.2-43.2000112.8S107 V111S107-D109 WeakPolarHBondContact CB-OD1 2.99Å; S107-D109 PolarHBondContact O-N 3.17Å; S107-D109 PolarHBondContact OG-OD1 2.92Å; D109-V111 PolarHBondContact O-N 2.94Å
110K94.6Very high93.7Very high93 Ų9381.4 Ų81.440%0.40443%0.427SS..SBendtrans-69.9119.3174.5-175.5169171.8-158.60109.3R103 Q106 S107 I112R103-K110 PolarHBondContact NH1-O 2.97Å; Q106-K110 HydrophobicContact CB-CD 4.35Å; S107-K110 WeakPolarHBondContact O-CB 3.34Å; S107-K110 PolarHBondContact O-N 3.25Å; S107-K110 VanDerWaalsContact O-N 3.14Å; K110-I112 PolarHBondContact O-N 2.98Å
111V94.5Very high93.7Very high95 Ų9585.2 Ų85.258%0.57645%0.451SS*.  trans-72.8129.7178.1-176.90000109.4D109 Y113D109-V111 PolarHBondContact O-N 2.94Å; V111-Y113 HydrophobicContact CG1-CD1 4.3Å; V111-Y113 HydrophobicContact CG1-CE1 3.8Å; V111-Y113 HydrophobicContact CG1-CE2 4.49Å
112I95.3Very high93.5Very high11 Ų1189.2 Ų89.26%0.05646%0.464CS..  trans-129.2123.4171.1-53.8-178.6000106.5A102 R103 Q106 K110 P228A102-I112 HydrophobicContact CB-CG2 4.14Å; A102-I112 WeakPolarHBondContact O-CD1 3.32Å; R103-I112 HydrophobicContact CB-CD1 4.14Å; R103-I112 HydrophobicContact CG-CB 4.26Å; R103-I112 HydrophobicContact CG-CD1 3.6Å; R103-I112 HydrophobicContact CG-CG1 4.16Å; R103-I112 PolarHBondContact NH2-O 2.97Å; Q106-I112 HydrophobicContact CB-CD1 4.23Å; Q106-I112 HydrophobicContact CG-CD1 4.07Å; K110-I112 PolarHBondContact O-N 2.98Å; I112-P228 VanDerWaalsContact CG2-CD 3.41Å; I112-P228 HydrophobicContact CG2-CG 4.01Å
113Y95.9Very high93.2Very high150 Ų15095.5 Ų95.559%0.58849%0.49SS*.  trans-82.6125.7172.2-57.8-60.7000108.7V111 D118 P228V111-Y113 HydrophobicContact CG1-CD1 4.3Å; V111-Y113 HydrophobicContact CG1-CE1 3.8Å; V111-Y113 HydrophobicContact CG1-CE2 4.49Å; Y113-D118 VanDerWaalsContact CA-OD2 3.29Å; Y113-D118 WeakPolarHBondContact CA-OD2 3.39Å; Y113-D118 HydrophobicContact CD1-CB 3.86Å; Y113-D118 HydrophobicContact CG-CB 4.2Å; Y113-P228 WeakPolarHBondContact O-CB 3.39Å; Y113-P228 VanDerWaalsContact O-CG 3.32Å; Y113-P228 WeakPolarHBondContact O-CG 3.44Å
114S94.6Very high92.7Very high30 Ų3096.4 Ų96.421%0.2150%0.503CS..  trans-146.4-15.6-172.5450000112.6D99 D118D99-S114 WeakPolarHBondContact CB-OG 3.28Å; D99-S114 VanDerWaalsContact OD1-CB 3.31Å; D99-S114 WeakPolarHBondContact OD1-CB 3.31Å; D99-S114 PolarHBondContact OD1-OG 2.73Å; D99-S114 PolarHBondContact OD2-OG 2.6Å; S114-D118 PolarHBondContact N-OD2 3.19Å
115K93.7Very high92Very high73 Ų7397.9 Ų97.932%0.31751%0.512SS..SBendtrans-98.2150-176.8-67.6-176.4-74.8-84.50110.1D99 T117 D118 M230D99-K115 IonicContact OD2-NZ 3.72Å; D99-K115 PolarHBondContact OD2-NZ 3.18Å; K115-T117 VanDerWaalsContact CB-OG1 3.28Å; K115-T117 WeakPolarHBondContact CB-OG1 3.39Å; K115-T117 PolarHBondContact O-N 3.43Å; K115-D118 PolarHBondContact N-OD2 3.08Å; K115-D118 VanDerWaalsContact O-CB 3.28Å; K115-D118 WeakPolarHBondContact O-CB 3.29Å; K115-D118 PolarHBondContact O-N 3.46Å; K115-M230 WeakPolarHBondContact O-CE 3.41Å
116Y92.3Very high91.7Very high116 Ų11699.7 Ų99.746%0.45550%0.504SS..G310 helixtrans-58.5-28.9172.7-177.7-100.5000112.6D118 L119 V120Y116-D118 PolarHBondContact O-N 3.46Å; Y116-D118 VanDerWaalsContact O-N 3.13Å; Y116-L119 HydrophobicContact CD2-CB 4.38Å; Y116-L119 HydrophobicContact CD2-CD1 4.15Å; Y116-L119 WeakPolarHBondContact O-CB 3.5Å; Y116-L119 PolarHBondContact O-N 3.06Å; Y116-V120 HydrophobicContact CD1-CG2 4.03Å; Y116-V120 HydrophobicContact CE1-CG2 3.64Å; Y116-V120 PolarHBondContact O-N 3.12Å
117T94.1Very high91.1Very high85 Ų85102.6 Ų102.652%0.52153%0.533SS..G310 helixtrans-56.7-27.4172.556.50000113.2K115 L119K115-T117 VanDerWaalsContact CB-OG1 3.28Å; K115-T117 WeakPolarHBondContact CB-OG1 3.39Å; K115-T117 PolarHBondContact O-N 3.43Å; T117-L119 VanDerWaalsContact C-N 3.31Å
118D93.9Very high90.6Very high62 Ų62105.8 Ų105.833%0.33255%0.545SS..G310 helixtrans-79.2-16178.3-49.2-35.3000112.1Y113 S114 K115 Y116 M230Y113-D118 VanDerWaalsContact CA-OD2 3.29Å; Y113-D118 WeakPolarHBondContact CA-OD2 3.39Å; Y113-D118 HydrophobicContact CD1-CB 3.86Å; Y113-D118 HydrophobicContact CG-CB 4.2Å; S114-D118 PolarHBondContact N-OD2 3.19Å; K115-D118 PolarHBondContact N-OD2 3.08Å; K115-D118 VanDerWaalsContact O-CB 3.28Å; K115-D118 WeakPolarHBondContact O-CB 3.29Å; K115-D118 PolarHBondContact O-N 3.46Å; Y116-D118 PolarHBondContact O-N 3.46Å; Y116-D118 VanDerWaalsContact O-N 3.13Å; D118-M230 HydrophobicContact CB-CE 3.9Å
119L93.2Very high90.3Very high64 Ų6498.4 Ų98.434%0.33552%0.515SS..THydrogen-bonded Turntrans-89.6-24.3177.9-91.4167.5000113.4Y116 T117 M230Y116-L119 HydrophobicContact CD2-CB 4.38Å; Y116-L119 HydrophobicContact CD2-CD1 4.15Å; Y116-L119 WeakPolarHBondContact O-CB 3.5Å; Y116-L119 PolarHBondContact O-N 3.06Å; T117-L119 VanDerWaalsContact C-N 3.31Å; L119-M230 HydrophobicContact CB-CE 4.42Å; L119-M230 HydrophobicContact CD1-CB 4.38Å; L119-M230 HydrophobicContact CD1-CE 3.88Å; L119-M230 HydrophobicContact CD1-SD 4.39Å; L119-M230 HydrophobicContact CD2-CB 3.7Å; L119-M230 WeakPolarHBondContact CD2-O 3.24Å; L119-M230 HydrophobicContact CG-CB 3.95Å; L119-M230 HydrophobicContact CG-CE 3.61Å; L119-M230 HydrophobicContact CG-SD 4.45Å
120V93.8Very high90Very high74 Ų7497.5 Ų97.545%0.44852%0.516SS..SBendtrans-70.1127.9-177.6-179.40000108.7Y116 K122Y116-V120 HydrophobicContact CD1-CG2 4.03Å; Y116-V120 HydrophobicContact CE1-CG2 3.64Å; Y116-V120 PolarHBondContact O-N 3.12Å; V120-K122 PolarHBondContact O-N 2.97Å
121P93.1Very high89.6Confident99 Ų99100.2 Ų100.264%0.64353%0.534SS*.PPolyproline II helixtrans-62.6137.2177.527.1-34.3000110.1
122K90.3Very high89.3Confident197 Ų197100.8 Ų100.886%0.85753%0.534SS*.PPolyproline II helixtrans-85.4122.3170.4-62.2-176179.5-1720108.1V120 V124V120-K122 PolarHBondContact O-N 2.97Å; K122-V124 PolarHBondContact O-N 3.5Å
123E87.2Confident89Confident152 Ų152105.6 Ų105.671%0.7156%0.556SS**PPolyproline II helixtrans-70.7124.9178.9-61.8-62.8166.700110.2
124V80.6Confident88.8Confident91 Ų91107.9 Ų107.955%0.55256%0.564SS**  trans-93.7106174.3-179.40000107.9K122 N126 L132K122-V124 PolarHBondContact O-N 3.5Å; V124-N126 WeakPolarHBondContact CG1-O 3.28Å; V124-L132 HydrophobicContact CG1-CD1 3.64Å; V124-L132 HydrophobicContact CG2-CD1 4.19Å
125M78.8Confident88.8Confident161 Ų161110.3 Ų110.379%0.79358%0.579SS**  trans-86.3-31.1-175.1-66-172.7168.300113.3
126N86.3Confident88.8Confident115 Ų115112.8 Ų112.862%0.61560%0.595SS**  trans-132.3146.7-175.4-67.8-43.6000110.8V124 D128V124-N126 WeakPolarHBondContact CG1-O 3.28Å; N126-D128 VanDerWaalsContact C-N 3.33Å
127A81Confident88.9Confident92 Ų92114.2 Ų114.276%0.7661%0.606SS**THydrogen-bonded Turntrans-70-30.917700000112.7D129A127-D129 VanDerWaalsContact C-N 3.31Å; A127-D129 PolarHBondContact O-N 3.17Å
128D83.2Confident89.1Confident138 Ų138117.7 Ų117.774%0.73862%0.616SS**THydrogen-bonded Turntrans-94.125.1-176.2-58.9-37000113.1N126 P130N126-D128 VanDerWaalsContact C-N 3.33Å; D128-P130 WeakPolarHBondContact O-CD 3.46Å
129D86.3Confident89.2Confident47 Ų47116.2 Ų116.225%0.25161%0.613SS.*  trans-61.7122.3-179.8-164.1-28.9000111.1A127 D131 L132A127-D129 VanDerWaalsContact C-N 3.31Å; A127-D129 PolarHBondContact O-N 3.17Å; D129-D131 PolarHBondContact O-N 3.12Å; D129-D131 VanDerWaalsContact O-N 3.12Å; D129-D131 PolarHBondContact OD1-N 3.07Å; D129-L132 HydrophobicContact CB-CD1 4.36Å; D129-L132 HydrophobicContact CB-CG 4.42Å; D129-L132 PolarHBondContact O-N 3.38Å
130P87.4Confident89.4Confident103 Ų103115.8 Ų115.867%0.66961%0.611SS**G310 helixtrans-52.6-30175.8-28.336.5000114.2D128 L132 Q133D128-P130 WeakPolarHBondContact O-CD 3.46Å; P130-L132 PolarHBondContact O-N 2.83Å; P130-Q133 PolarHBondContact O-N 3.28Å
131D86.9Confident89.6Confident149 Ų149118.7 Ų118.780%0.79762%0.617SS**G310 helixtrans-66.3-22.3179.8-75.9-7.8000113.1D129D129-D131 PolarHBondContact O-N 3.12Å; D129-D131 VanDerWaalsContact O-N 3.12Å; D129-D131 PolarHBondContact OD1-N 3.07Å
132L87Confident89.8Confident107 Ų107119 Ų11956%0.5661%0.61SS**G310 helixtrans-98.9-7.2179.7-64.1178.2000113.1V124 D129 P130V124-L132 HydrophobicContact CG1-CD1 3.64Å; V124-L132 HydrophobicContact CG2-CD1 4.19Å; D129-L132 HydrophobicContact CB-CD1 4.36Å; D129-L132 HydrophobicContact CB-CG 4.42Å; D129-L132 PolarHBondContact O-N 3.38Å; P130-L132 PolarHBondContact O-N 2.83Å
133Q89.5Confident90.2Very high113 Ų113114.1 Ų114.153%0.52859%0.593SS.*PPolyproline II helixtrans-67.1141.9180-64.2-60.7-2100110.8P130P130-Q133 PolarHBondContact O-N 3.28Å
134R91.6Very high90.7Very high197 Ų197110.9 Ų110.974%0.74358%0.583SS**PPolyproline II helixtrans-67153.2169.7-63.5-177.767-165.7-1.8108.4
135P94.1Very high91.6Very high81 Ų81110.8 Ų110.853%0.52658%0.577SS.*PPolyproline II helixtrans-51.7148.1169.3-25.133.9000111.3A139 I140P135-A139 HydrophobicContact CB-CB 4.14Å; P135-I140 HydrophobicContact CB-CG1 4.27Å; P135-I140 VanDerWaalsContact O-CD1 3.24Å; P135-I140 WeakPolarHBondContact O-CD1 2.97Å
136D93.9Very high92.5Very high125 Ų125109.3 Ų109.367%0.66857%0.566SS**PPolyproline II helixtrans-54.7154.1-179.6-59.5-33.7000112E138 A139 I140D136-E138 PolarHBondContact O-N 3.25Å; D136-E138 VanDerWaalsContact O-N 3.13Å; D136-A139 WeakPolarHBondContact O-CB 3.32Å; D136-A139 PolarHBondContact O-N 3.17Å; D136-I140 WeakPolarHBondContact O-CG1 3.49Å; D136-I140 PolarHBondContact O-N 3.38Å
137E95.8Very high93Very high146 Ų146107.1 Ų107.168%0.68256%0.557SS**Hα-helixtrans-56.2-34.1179.6-69.3-168.717600112.9I140 K141E137-I140 PolarHBondContact O-N 3.01Å; E137-K141 WeakPolarHBondContact O-CB 3.19Å; E137-K141 VanDerWaalsContact O-CG 3.25Å; E137-K141 WeakPolarHBondContact O-CG 3.41Å; E137-K141 PolarHBondContact O-N 2.95Å
138E96.4Very high93.9Very high158 Ų158107.5 Ų107.574%0.73854%0.539SS*.Hα-helixtrans-66.7-45.6176.1-62-172.5158.700111.7D136 I140 K141 E142D136-E138 PolarHBondContact O-N 3.25Å; D136-E138 VanDerWaalsContact O-N 3.13Å; E138-I140 VanDerWaalsContact C-N 3.31Å; E138-I140 PolarHBondContact O-N 3.27Å; E138-K141 PolarHBondContact O-N 3.17Å; E138-E142 PolarHBondContact O-N 3.13Å
139A97.1Very high94.6Very high32 Ų32104.3 Ų104.326%0.26452%0.524SS..Hα-helixtrans-62.7-40.3175.700000111.2P135 D136 E142 I143P135-A139 HydrophobicContact CB-CB 4.14Å; D136-A139 WeakPolarHBondContact O-CB 3.32Å; D136-A139 PolarHBondContact O-N 3.17Å; A139-E142 PolarHBondContact O-N 3.25Å; A139-I143 WeakPolarHBondContact O-CB 3Å; A139-I143 VanDerWaalsContact O-CG1 3.23Å; A139-I143 WeakPolarHBondContact O-CG1 3.27Å; A139-I143 PolarHBondContact O-N 3.38Å
140I97.6Very high95.1Very high55 Ų55104.6 Ų104.628%0.28253%0.533SS..Hα-helixtrans-62-46174.3-67.8174.8000110.7P135 D136 E137 E138 E142 I143 T144P135-I140 HydrophobicContact CB-CG1 4.27Å; P135-I140 VanDerWaalsContact O-CD1 3.24Å; P135-I140 WeakPolarHBondContact O-CD1 2.97Å; D136-I140 WeakPolarHBondContact O-CG1 3.49Å; D136-I140 PolarHBondContact O-N 3.38Å; E137-I140 PolarHBondContact O-N 3.01Å; E138-I140 VanDerWaalsContact C-N 3.31Å; E138-I140 PolarHBondContact O-N 3.27Å; I140-E142 VanDerWaalsContact C-N 3.34Å; I140-E142 PolarHBondContact O-N 3.39Å; I140-I143 PolarHBondContact O-N 3.28Å; I140-T144 WeakPolarHBondContact O-CB 3.45Å; I140-T144 PolarHBondContact O-N 2.48Å; I140-T144 PolarHBondContact O-OG1 3.23Å
141K97.5Very high95.6Very high134 Ų134104.7 Ų104.758%0.58353%0.527SS*.Hα-helixtrans-59.9-44.1177.1-76.1166.7-174.7163.70111.3E137 E138 T144 E145E137-K141 WeakPolarHBondContact O-CB 3.19Å; E137-K141 VanDerWaalsContact O-CG 3.25Å; E137-K141 WeakPolarHBondContact O-CG 3.41Å; E137-K141 PolarHBondContact O-N 2.95Å; E138-K141 PolarHBondContact O-N 3.17Å; K141-T144 PolarHBondContact O-N 3.07Å; K141-E145 WeakPolarHBondContact O-CB 3.47Å; K141-E145 PolarHBondContact O-N 3.23Å
142E98Very high96.1Very high106 Ų106102.4 Ų102.450%0.49551%0.512SS..Hα-helixtrans-64.2-47.6178.1-167.7-167.4161.200112.3E138 A139 I140 T144 E145 K146E138-E142 PolarHBondContact O-N 3.13Å; A139-E142 PolarHBondContact O-N 3.25Å; I140-E142 VanDerWaalsContact C-N 3.34Å; I140-E142 PolarHBondContact O-N 3.39Å; E142-T144 VanDerWaalsContact C-N 3.31Å; E142-T144 PolarHBondContact O-N 3.33Å; E142-E145 PolarHBondContact O-N 3.49Å; E142-K146 HydrophobicContact CG-CD 4.31Å; E142-K146 WeakPolarHBondContact O-CB 3.37Å; E142-K146 WeakPolarHBondContact O-CG 3.3Å; E142-K146 PolarHBondContact O-N 3.37Å; E142-K146 VanDerWaalsContact OE1-CE 3.23Å; E142-K146 WeakPolarHBondContact OE1-CE 3.5Å; E142-K146 IonicContact OE1-NZ 3.16Å; E142-K146 PolarHBondContact OE1-NZ 3.1Å
143I98.1Very high96.5Very high95 Ų95104 Ų10449%0.48751%0.514SS..Hα-helixtrans-61.9-42.3176.9-69.8166.6000110.3A139 I140 T147A139-I143 WeakPolarHBondContact O-CB 3Å; A139-I143 VanDerWaalsContact O-CG1 3.23Å; A139-I143 WeakPolarHBondContact O-CG1 3.27Å; A139-I143 PolarHBondContact O-N 3.38Å; I140-I143 PolarHBondContact O-N 3.28Å; I143-T147 VanDerWaalsContact O-CB 3.23Å; I143-T147 WeakPolarHBondContact O-CB 3.39Å; I143-T147 PolarHBondContact O-N 3.14Å; I143-T147 PolarHBondContact O-OG1 2.9Å
144T98.1Very high96.8Very high83 Ų83101.6 Ų101.651%0.50951%0.509SS..Hα-helixtrans-61.2-47.7178.5-61.10000110.3I140 K141 E142 T147 R148I140-T144 WeakPolarHBondContact O-CB 3.45Å; I140-T144 PolarHBondContact O-N 2.48Å; I140-T144 PolarHBondContact O-OG1 3.23Å; K141-T144 PolarHBondContact O-N 3.07Å; E142-T144 VanDerWaalsContact C-N 3.31Å; E142-T144 PolarHBondContact O-N 3.33Å; T144-T147 PolarHBondContact O-N 3.28Å; T144-R148 VanDerWaalsContact O-CB 3.25Å; T144-R148 WeakPolarHBondContact O-CB 3.34Å; T144-R148 PolarHBondContact O-N 2.9Å
145E98Very high97Very high90 Ų9096.3 Ų96.342%0.42150%0.499SS..Hα-helixtrans-65.6-46-179.5-178.855.5-161.100112K141 E142 T147 R148 V149K141-E145 WeakPolarHBondContact O-CB 3.47Å; K141-E145 PolarHBondContact O-N 3.23Å; E142-E145 PolarHBondContact O-N 3.49Å; E145-T147 VanDerWaalsContact C-N 3.3Å; E145-T147 PolarHBondContact O-N 2.92Å; E145-R148 PolarHBondContact O-N 3.26Å; E145-R148 IonicContact OE1-CZ 3.31Å; E145-R148 IonicContact OE1-NE 3.91Å; E145-R148 IonicContact OE1-NH2 2.73Å; E145-R148 PolarHBondContact OE1-NH2 3.05Å; E145-R148 IonicContact OE2-CZ 2.86Å; E145-R148 IonicContact OE2-NE 3.81Å; E145-R148 PolarHBondContact OE2-NE 3.3Å; E145-R148 IonicContact OE2-NH2 4Å; E145-R148 PolarHBondContact OE2-NH2 2.99Å; E145-V149 WeakPolarHBondContact O-CG2 3.48Å; E145-V149 PolarHBondContact O-N 3.02Å; E145-V149 WeakPolarHBondContact OE1-CG2 3.04Å
146K98.2Very high96.8Very high130 Ų13095.7 Ų95.757%0.56550%0.496SS*.Hα-helixtrans-57.3-44.7174.5-76.8174.8171.9172.60111.8E142 A150E142-K146 HydrophobicContact CG-CD 4.31Å; E142-K146 WeakPolarHBondContact O-CB 3.37Å; E142-K146 WeakPolarHBondContact O-CG 3.3Å; E142-K146 PolarHBondContact O-N 3.37Å; E142-K146 VanDerWaalsContact OE1-CE 3.23Å; E142-K146 WeakPolarHBondContact OE1-CE 3.5Å; E142-K146 IonicContact OE1-NZ 3.16Å; E142-K146 PolarHBondContact OE1-NZ 3.1Å; K146-A150 WeakPolarHBondContact O-CB 3.41Å; K146-A150 PolarHBondContact O-N 3.42Å; K146-A150 VanDerWaalsContact O-N 3.09Å
147T98.1Very high96.6Very high69 Ų6995.8 Ų95.842%0.42349%0.493SS..Hα-helixtrans-68.9-42.6-179.6-55.70000111.1I143 T144 E145 A150 L151I143-T147 VanDerWaalsContact O-CB 3.23Å; I143-T147 WeakPolarHBondContact O-CB 3.39Å; I143-T147 PolarHBondContact O-N 3.14Å; I143-T147 PolarHBondContact O-OG1 2.9Å; T144-T147 PolarHBondContact O-N 3.28Å; E145-T147 VanDerWaalsContact C-N 3.3Å; E145-T147 PolarHBondContact O-N 2.92Å; T147-A150 PolarHBondContact O-N 3.23Å; T147-L151 HydrophobicContact CG2-CD1 3.92Å; T147-L151 HydrophobicContact CG2-CG 4.23Å; T147-L151 WeakPolarHBondContact O-CB 3.47Å; T147-L151 VanDerWaalsContact O-CG 3.29Å; T147-L151 WeakPolarHBondContact O-CG 3.48Å; T147-L151 PolarHBondContact O-N 3.03Å
148R98.1Very high96.4Very high100 Ų10096.8 Ų96.838%0.37750%0.495SS..Hα-helixtrans-56.4-53.2176.6-174.9-167.37076.63.2110.8T144 E145 A150 L151 E152T144-R148 VanDerWaalsContact O-CB 3.25Å; T144-R148 WeakPolarHBondContact O-CB 3.34Å; T144-R148 PolarHBondContact O-N 2.9Å; E145-R148 PolarHBondContact O-N 3.26Å; E145-R148 IonicContact OE1-CZ 3.31Å; E145-R148 IonicContact OE1-NE 3.91Å; E145-R148 IonicContact OE1-NH2 2.73Å; E145-R148 PolarHBondContact OE1-NH2 3.05Å; E145-R148 IonicContact OE2-CZ 2.86Å; E145-R148 IonicContact OE2-NE 3.81Å; E145-R148 PolarHBondContact OE2-NE 3.3Å; E145-R148 IonicContact OE2-NH2 4Å; E145-R148 PolarHBondContact OE2-NH2 2.99Å; R148-A150 VanDerWaalsContact C-N 3.33Å; R148-A150 PolarHBondContact O-N 3.41Å; R148-L151 PolarHBondContact O-N 2.76Å; R148-E152 IonicContact CZ-OE1 3.37Å; R148-E152 IonicContact CZ-OE2 2.72Å; R148-E152 IonicContact NH1-OE1 3.82Å; R148-E152 PolarHBondContact NH1-OE1 2.92Å; R148-E152 IonicContact NH1-OE2 4Å; R148-E152 PolarHBondContact NH1-OE2 3.21Å; R148-E152 WeakPolarHBondContact O-CB 3.24Å; R148-E152 WeakPolarHBondContact O-CG 3.29Å; R148-E152 PolarHBondContact O-N 2.84Å
149V98.1Very high96.1Very high71 Ų7192.8 Ų92.843%0.4348%0.481SS..Hα-helixtrans-61.3-41.3179.5175.20000111.5E145 E152 K153E145-V149 WeakPolarHBondContact O-CG2 3.48Å; E145-V149 PolarHBondContact O-N 3.02Å; E145-V149 WeakPolarHBondContact OE1-CG2 3.04Å; V149-E152 PolarHBondContact O-N 3.1Å; V149-K153 WeakPolarHBondContact O-CB 3.43Å; V149-K153 PolarHBondContact O-N 3.24Å
150A98.2Very high95.6Very high53 Ų5394 Ų9444%0.43849%0.491SS..Hα-helixtrans-65.7-39.5177.900000112.8K146 T147 R148 S154K146-A150 WeakPolarHBondContact O-CB 3.41Å; K146-A150 PolarHBondContact O-N 3.42Å; K146-A150 VanDerWaalsContact O-N 3.09Å; T147-A150 PolarHBondContact O-N 3.23Å; R148-A150 VanDerWaalsContact C-N 3.33Å; R148-A150 PolarHBondContact O-N 3.41Å; A150-S154 PolarHBondContact O-N 3.08Å; A150-S154 VanDerWaalsContact O-N 3.13Å; A150-S154 PolarHBondContact O-OG 3.11Å
151L98Very high94.9Very high104 Ų10494.4 Ų94.455%0.54550%0.503SS..Hα-helixtrans-70.3-43176.4-71.7178.5000111.4T147 R148 K153 S154 V155T147-L151 HydrophobicContact CG2-CD1 3.92Å; T147-L151 HydrophobicContact CG2-CG 4.23Å; T147-L151 WeakPolarHBondContact O-CB 3.47Å; T147-L151 VanDerWaalsContact O-CG 3.29Å; T147-L151 WeakPolarHBondContact O-CG 3.48Å; T147-L151 PolarHBondContact O-N 3.03Å; R148-L151 PolarHBondContact O-N 2.76Å; L151-K153 VanDerWaalsContact C-N 3.3Å; L151-K153 PolarHBondContact O-N 2.85Å; L151-S154 CarbonylContact O-C 3.52Å; L151-S154 WeakPolarHBondContact O-CA 3.24Å; L151-S154 WeakPolarHBondContact O-CB 3.23Å; L151-S154 PolarHBondContact O-N 3.37Å; L151-V155 VanDerWaalsContact O-CG2 3.31Å; L151-V155 WeakPolarHBondContact O-CG2 3.41Å; L151-V155 PolarHBondContact O-N 2.58Å
152E97.3Very high94.3Very high102 Ų10291.9 Ų91.948%0.47751%0.507SS..Hα-helixtrans-58.4-42.1174.4-78.7178.6-176.300112R148 V149 S154 V155 S156R148-E152 IonicContact CZ-OE1 3.37Å; R148-E152 IonicContact CZ-OE2 2.72Å; R148-E152 IonicContact NH1-OE1 3.82Å; R148-E152 PolarHBondContact NH1-OE1 2.92Å; R148-E152 IonicContact NH1-OE2 4Å; R148-E152 PolarHBondContact NH1-OE2 3.21Å; R148-E152 WeakPolarHBondContact O-CB 3.24Å; R148-E152 WeakPolarHBondContact O-CG 3.29Å; R148-E152 PolarHBondContact O-N 2.84Å; V149-E152 PolarHBondContact O-N 3.1Å; E152-S154 VanDerWaalsContact C-N 3.28Å; E152-S154 PolarHBondContact O-N 3.41Å; E152-V155 PolarHBondContact O-N 3.49Å; E152-S156 WeakPolarHBondContact O-CB 3.23Å; E152-S156 PolarHBondContact O-N 2.9Å; E152-S156 PolarHBondContact O-OG 3.44Å
153K95.5Very high93.5Very high140 Ų14091.8 Ų91.861%0.60951%0.508SS*.Hα-helixtrans-60.9-37.2173-176.7177.4179.3177.90112.5V149 L151 S156 Q157V149-K153 WeakPolarHBondContact O-CB 3.43Å; V149-K153 PolarHBondContact O-N 3.24Å; L151-K153 VanDerWaalsContact C-N 3.3Å; L151-K153 PolarHBondContact O-N 2.85Å; K153-S156 PolarHBondContact O-OG 2.9Å; K153-Q157 WeakPolarHBondContact O-CG 3.39Å
154S95.2Very high92.3Very high62 Ų6293.4 Ų93.443%0.43453%0.525SS..Hα-helixtrans-73.2-39.8177.8-58.60000111.6A150 L151 E152 Q157 K158A150-S154 PolarHBondContact O-N 3.08Å; A150-S154 VanDerWaalsContact O-N 3.13Å; A150-S154 PolarHBondContact O-OG 3.11Å; L151-S154 CarbonylContact O-C 3.52Å; L151-S154 WeakPolarHBondContact O-CA 3.24Å; L151-S154 WeakPolarHBondContact O-CB 3.23Å; L151-S154 PolarHBondContact O-N 3.37Å; E152-S154 VanDerWaalsContact C-N 3.28Å; E152-S154 PolarHBondContact O-N 3.41Å; S154-Q157 PolarHBondContact O-N 3.38Å; S154-K158 WeakPolarHBondContact O-CG 3.25Å; S154-K158 PolarHBondContact O-N 3.04Å
155V95.3Very high90.8Very high86 Ų8695.1 Ų95.152%0.52154%0.535SS..Hα-helixtrans-66.5-44177.6171.30000110.5L151 E152 Q157 K158 V159L151-V155 VanDerWaalsContact O-CG2 3.31Å; L151-V155 WeakPolarHBondContact O-CG2 3.41Å; L151-V155 PolarHBondContact O-N 2.58Å; E152-V155 PolarHBondContact O-N 3.49Å; V155-Q157 VanDerWaalsContact C-N 3.27Å; V155-Q157 PolarHBondContact O-N 3.43Å; V155-K158 WeakPolarHBondContact O-CA 3.47Å; V155-K158 PolarHBondContact O-N 3.35Å; V155-V159 HydrophobicContact CG1-CG2 3.87Å; V155-V159 WeakPolarHBondContact O-CG2 3.47Å; V155-V159 PolarHBondContact O-N 2.91Å
156S91.1Very high89.2Confident68 Ų6899.7 Ų99.748%0.47655%0.548SS..Hα-helixtrans-58.9-38.317965.40000112.3E152 K153 V159 A160E152-S156 WeakPolarHBondContact O-CB 3.23Å; E152-S156 PolarHBondContact O-N 2.9Å; E152-S156 PolarHBondContact O-OG 3.44Å; K153-S156 PolarHBondContact O-OG 2.9Å; S156-V159 PolarHBondContact O-N 3.47Å; S156-A160 VanDerWaalsContact O-CB 3.28Å; S156-A160 WeakPolarHBondContact O-CB 3.41Å; S156-A160 PolarHBondContact O-N 2.93Å
157Q89.3Confident87.5Confident128 Ų12897.4 Ų97.460%0.59855%0.554SS**Hα-helixtrans-64.2-38.6173.1-68.4173.84.900112.9K153 S154 V155K153-Q157 WeakPolarHBondContact O-CG 3.39Å; S154-Q157 PolarHBondContact O-N 3.38Å; V155-Q157 VanDerWaalsContact C-N 3.27Å; V155-Q157 PolarHBondContact O-N 3.43Å
158K91.6Very high86.1Confident166 Ų16697.4 Ų97.472%0.72256%0.561SS**Hα-helixtrans-71.5-42.4177.1-66.5-58.4-174.476.70112.1S154 V155 A161S154-K158 WeakPolarHBondContact O-CG 3.25Å; S154-K158 PolarHBondContact O-N 3.04Å; V155-K158 WeakPolarHBondContact O-CA 3.47Å; V155-K158 PolarHBondContact O-N 3.35Å; K158-A161 PolarHBondContact O-N 3.46Å
159V90.5Very high84.7Confident74 Ų7497.6 Ų97.645%0.44857%0.569SS.*Hα-helixtrans-65.3-41.2178.6173.70000110.6V155 S156 A161 A162 M163V155-V159 HydrophobicContact CG1-CG2 3.87Å; V155-V159 WeakPolarHBondContact O-CG2 3.47Å; V155-V159 PolarHBondContact O-N 2.91Å; S156-V159 PolarHBondContact O-N 3.47Å; V159-A161 PolarHBondContact O-N 3.21Å; V159-A161 VanDerWaalsContact O-N 3.12Å; V159-A162 PolarHBondContact O-N 3.03Å; V159-M163 HydrophobicContact CG1-CG 4.03Å; V159-M163 HydrophobicContact CG1-SD 4.16Å; V159-M163 WeakPolarHBondContact O-CG 3.43Å; V159-M163 PolarHBondContact O-N 3.13Å
160A85.8Confident83.6Confident57 Ų57103.8 Ų103.847%0.47159%0.59SS.*Hα-helixtrans-55.9-31.2177.900000113.5S156 A162S156-A160 VanDerWaalsContact O-CB 3.28Å; S156-A160 WeakPolarHBondContact O-CB 3.41Å; S156-A160 PolarHBondContact O-N 2.93Å; A160-A162 VanDerWaalsContact C-N 3.33Å
161A82.6Confident82.6Confident65 Ų65105.7 Ų105.754%0.53759%0.592SS.*Hα-helixtrans-72-26.5175.900000113.5K158 V159 R166K158-A161 PolarHBondContact O-N 3.46Å; V159-A161 PolarHBondContact O-N 3.21Å; V159-A161 VanDerWaalsContact O-N 3.12Å; A161-R166 PolarHBondContact O-NH2 2.7Å
162A85.7Confident81.8Confident81 Ų81103.1 Ų103.167%0.66959%0.587SS**Hα-helixtrans-101.1-11.6-174.500000114.4V159 A160V159-A162 PolarHBondContact O-N 3.03Å; A160-A162 VanDerWaalsContact C-N 3.33Å
163M81Confident81.4Confident103 Ų103104.1 Ų104.151%0.50760%0.602SS.*  trans-61.5129177.6-74.5-69.2-7600110.7V159 V165V159-M163 HydrophobicContact CG1-CG 4.03Å; V159-M163 HydrophobicContact CG1-SD 4.16Å; V159-M163 WeakPolarHBondContact O-CG 3.43Å; V159-M163 PolarHBondContact O-N 3.13Å; M163-V165 VanDerWaalsContact C-N 3.28Å; M163-V165 PolarHBondContact O-N 2.88Å
164P72.2Confident81.1Confident130 Ų13099.2 Ų99.284%0.84459%0.587SS**SBendtrans-60.7-33.9-174.5-26.334000114.5
165V67.1Low81.1Confident119 Ų119102.3 Ų102.372%0.72160%0.595SS**SBendtrans-115.7110.5175.5-87.70000108M163 A167M163-V165 VanDerWaalsContact C-N 3.28Å; M163-V165 PolarHBondContact O-N 2.88Å; V165-A167 PolarHBondContact O-N 2.8Å
166R65.5Low81.1Confident185 Ų185105 Ų10570%0.69860%0.597SS**  trans-77.3103.6164.3-67.2-174.3179.6174.53.6106.8A161 A168A161-R166 PolarHBondContact O-NH2 2.7Å; R166-A168 PolarHBondContact O-N 3.33Å
167A62.4Low81.3Confident83 Ų83105 Ų10569%0.68659%0.59SS**PPolyproline II helixtrans-54.5135.1162.900000107.4V165 D169V165-A167 PolarHBondContact O-N 2.8Å; A167-D169 PolarHBondContact O-N 2.9Å; A167-D169 VanDerWaalsContact O-N 3.12Å
168A67.2Low81.6Confident68 Ų68107.2 Ų107.256%0.56259%0.594SS**PPolyproline II helixtrans-50.7124.7175.200000108.7R166 K170R166-A168 PolarHBondContact O-N 3.33Å; A168-K170 PolarHBondContact O-N 2.95Å; A168-K170 VanDerWaalsContact O-N 3.07Å
169D70.1Confident81.8Confident104 Ų104104.5 Ų104.556%0.55658%0.58SS**PPolyproline II helixtrans-53.5119.6-178.9-71-32.6000108A167 L171 K204A167-D169 PolarHBondContact O-N 2.9Å; A167-D169 VanDerWaalsContact O-N 3.12Å; D169-L171 PolarHBondContact O-N 3.37Å; D169-K204 IonicContact OD2-NZ 3.8Å
170K73.8Confident82Confident201 Ų201104.1 Ų104.187%0.87458%0.577SS**PPolyproline II helixtrans-64.2122.5174.7-71.4-177.1179.8179.90107.5A168 A172A168-K170 PolarHBondContact O-N 2.95Å; A168-K170 VanDerWaalsContact O-N 3.07Å; K170-A172 PolarHBondContact O-N 3.01Å; K170-A172 VanDerWaalsContact O-N 3.14Å
171L76.7Confident82.3Confident93 Ų93102 Ų10249%0.48756%0.559SS.*PPolyproline II helixtrans-56.4120.2178.7-71.7170.3000110D169 E201 Q203D169-L171 PolarHBondContact O-N 3.37Å; L171-E201 WeakPolarHBondContact CD2-O 3.4Å; L171-Q203 HydrophobicContact CD1-CB 4.41Å; L171-Q203 HydrophobicContact CD1-CG 4.48Å; L171-Q203 HydrophobicContact CD2-CB 3.96Å; L171-Q203 HydrophobicContact CD2-CG 4.34Å
172A81.6Confident82.8Confident51 Ų51104.4 Ų104.442%0.42157%0.572SS.*PPolyproline II helixtrans-61.2148.9172.400000110.2K170K170-A172 PolarHBondContact O-N 3.01Å; K170-A172 VanDerWaalsContact O-N 3.14Å
173P88.5Confident83Confident122 Ų122106.6 Ų106.679%0.79257%0.568SS**PPolyproline II helixtrans-60.8150.8175.726.8-34.4000110.7Q175P173-Q175 PolarHBondContact O-N 3.3Å
174A90.8Very high83.3Confident37 Ų37107.7 Ų107.731%0.30657%0.572SS.*PPolyproline II helixtrans-59122.4179.100000111.1Y176 R198 V200A174-Y176 HydrophobicContact CB-CE2 4.48Å; A174-R198 HydrophobicContact CB-CG 4.11Å; A174-V200 HydrophobicContact CB-CG2 4.14Å
175Q94.3Very high84.1Confident128 Ų128103.5 Ų103.560%0.59855%0.552SS**EExtended strand (participates in β ladder)trans-98.6126.5179.8-176.3-179.92.200109.9P173 I177 M199P173-Q175 PolarHBondContact O-N 3.3Å; Q175-I177 HydrophobicContact CG-CG2 4.4Å; Q175-M199 HydrophobicContact CB-CB 4.36Å; Q175-M199 PolarHBondContact N-O 3.21Å; Q175-M199 WeakPolarHBondContact O-CB 3.38Å; Q175-M199 PolarHBondContact O-N 2.82Å
176Y95.5Very high85.2Confident143 Ų143104 Ų10456%0.56156%0.556SS**EExtended strand (participates in β ladder)trans-97.2125.1175.4-65.8-93.1000110.1A174 V196 I197 R198A174-Y176 HydrophobicContact CB-CE2 4.48Å; Y176-V196 HydrophobicContact CD1-CG1 3.99Å; Y176-I197 WeakPolarHBondContact CA-O 3.29Å; Y176-R198 HydrophobicContact CD1-CB 3.94Å; Y176-R198 HydrophobicContact CD1-CG 4.21Å; Y176-R198 HydrophobicContact CE1-CB 3.66Å; Y176-R198 HydrophobicContact CE1-CG 3.68Å; Y176-R198 HydrophobicContact CE2-CG 4.47Å
177I95Very high86.4Confident66 Ų6699.7 Ų99.734%0.33856%0.559SS.*EExtended strand (participates in β ladder)trans-112.7137.7174.663.8177.2000109.9Q175 V196 I197 M199Q175-I177 HydrophobicContact CG-CG2 4.4Å; I177-V196 WeakPolarHBondContact O-CA 3.44Å; I177-I197 HydrophobicContact CD1-CB 4.24Å; I177-I197 HydrophobicContact CD1-CD1 4.36Å; I177-I197 HydrophobicContact CD1-CG2 4.47Å; I177-I197 HydrophobicContact CG1-CB 3.73Å; I177-I197 HydrophobicContact CG1-CD1 4.44Å; I177-I197 HydrophobicContact CG1-CG2 4.35Å; I177-I197 PolarHBondContact N-O 3.41Å; I177-I197 PolarHBondContact O-N 2.69Å; I177-M199 HydrophobicContact CD1-CG 3.88Å; I177-M199 HydrophobicContact CD1-SD 4.06Å; I177-M199 HydrophobicContact CG1-CG 4.13Å; I177-M199 HydrophobicContact CG2-CG 4.42Å
178R96Very high87.6Confident176 Ų176100.3 Ų100.366%0.66455%0.546SS*.EExtended strand (participates in β ladder)trans-93.1116.2173.7-178.2-177.2-66.7-78-3.1108.4Q194R178-Q194 VanDerWaalsContact CD-OE1 3.26Å
179Y95Very high88.5Confident109 Ų10999.1 Ų99.143%0.42753%0.531SS..EExtended strand (participates in β ladder)trans-110.6126.8-179.1179-115.6000110.6P181 Q194 R195 I197Y179-P181 HydrophobicContact CD1-CB 4.5Å; Y179-P181 HydrophobicContact CD1-CG 3.86Å; Y179-P181 HydrophobicContact CE1-CB 3.84Å; Y179-P181 HydrophobicContact CE1-CG 3.66Å; Y179-P181 WeakPolarHBondContact O-CD 3.23Å; Y179-Q194 WeakPolarHBondContact O-CA 3.41Å; Y179-R195 HydrophobicContact CD1-CG 3.86Å; Y179-R195 HydrophobicContact CG-CG 4.48Å; Y179-R195 PolarHBondContact N-O 3.5Å; Y179-R195 PolarHBondContact O-N 3.01Å; Y179-I197 HydrophobicContact CD1-CD1 4.33Å; Y179-I197 HydrophobicContact CG-CD1 4.2Å
180T94.9Very high89.4Confident66 Ų66100.3 Ų100.341%0.40555%0.547SS..  trans-103.2106.3170.2-53.20000107.5Q194T180-Q194 HydrophobicContact CG2-CG 4.34Å; T180-Q194 WeakPolarHBondContact OG1-CG 3.36Å; T180-Q194 PolarHBondContact OG1-NE2 2.67Å; T180-Q194 VanDerWaalsContact OG1-NE2 3.17Å
181P92.8Very high90.1Very high12 Ų1292.6 Ų92.68%0.07853%0.525CS..  trans-62.6141.9177.7-19.731.8000111.5Y179 Q184Y179-P181 HydrophobicContact CD1-CB 4.5Å; Y179-P181 HydrophobicContact CD1-CG 3.86Å; Y179-P181 HydrophobicContact CE1-CB 3.84Å; Y179-P181 HydrophobicContact CE1-CG 3.66Å; Y179-P181 WeakPolarHBondContact O-CD 3.23Å; P181-Q184 VanDerWaalsContact O-CG 3.24Å; P181-Q184 WeakPolarHBondContact O-CG 3.25Å; P181-Q184 PolarHBondContact O-NE2 3.4Å
182S92.8Very high90.7Very high116 Ų11690.6 Ų90.681%0.81152%0.522SS*.SBendtrans-70.3-37.1171.455.80000111.3Q184S182-Q184 PolarHBondContact O-N 2.84Å; S182-Q184 VanDerWaalsContact O-N 3.08Å
183Q89.9Confident91.3Very high127 Ų12796.2 Ų96.259%0.59354%0.537SS*.SBendtrans-76.494.2170.3-170.7178.735.800109F188Q183-F188 HydrophobicContact CG-CD2 4.09Å; Q183-F188 HydrophobicContact CG-CE2 3.94Å; Q183-F188 HydrophobicContact CG-CZ 4.28Å; Q183-F188 VanDerWaalsContact NE2-CZ 3.35Å
184Q87.8Confident91.6Very high125 Ų12594.2 Ų94.258%0.58452%0.517SS*.  trans-99.2152.7175.9-61.2-178.25.200110.2P181 S182P181-Q184 VanDerWaalsContact O-CG 3.24Å; P181-Q184 WeakPolarHBondContact O-CG 3.25Å; P181-Q184 PolarHBondContact O-NE2 3.4Å; S182-Q184 PolarHBondContact O-N 2.84Å; S182-Q184 VanDerWaalsContact O-N 3.08Å
185G88.1Confident91.7Very high42 Ų4297.2 Ų97.243%0.43352%0.52SS..  trans162.8147176.800000109.7A187 F188G185-A187 PolarHBondContact O-N 2.92Å; G185-F188 PolarHBondContact O-N 3.3Å; G185-F188 VanDerWaalsContact O-O 3.13Å
186V90Very high91.7Very high131 Ų13195.4 Ų95.479%0.79452%0.518SS*.THydrogen-bonded Turntrans-60.8-28-178.166.80000112.5F188 G191V186-F188 VanDerWaalsContact C-N 3.31Å; V186-F188 PolarHBondContact O-N 2.75Å; V186-G191 WeakPolarHBondContact O-CA 3.2Å; V186-G191 PolarHBondContact O-N 2.87Å; V186-G191 VanDerWaalsContact O-N 3.17Å
187A90.8Very high91.7Very high93 Ų9391.4 Ų91.477%0.76951%0.505SS*.THydrogen-bonded Turntrans-73.1-20.7175.900000113.6G185G185-A187 PolarHBondContact O-N 2.92Å
188F87.8Confident91.7Very high96 Ų9695.7 Ų95.742%0.42152%0.517SS..SBendtrans-96.2149.7178-66.1-72.3000110.5Q183 G185 V186 S190 G191Q183-F188 HydrophobicContact CG-CD2 4.09Å; Q183-F188 HydrophobicContact CG-CE2 3.94Å; Q183-F188 HydrophobicContact CG-CZ 4.28Å; Q183-F188 VanDerWaalsContact NE2-CZ 3.35Å; G185-F188 PolarHBondContact O-N 3.3Å; G185-F188 VanDerWaalsContact O-O 3.13Å; V186-F188 VanDerWaalsContact C-N 3.31Å; V186-F188 PolarHBondContact O-N 2.75Å; F188-S190 PolarHBondContact O-N 3.19Å; F188-S190 VanDerWaalsContact O-N 3.1Å; F188-G191 PolarHBondContact O-N 3.29Å
189N86.9Confident91.6Very high44 Ų4491.9 Ų91.924%0.23551%0.508CS..G310 helixtrans54.332.4174.8-158.936.1000113.6G191 A192 Q194 R195N189-G191 PolarHBondContact O-N 3.24Å; N189-G191 VanDerWaalsContact O-N 3.12Å; N189-A192 WeakPolarHBondContact CB-O 3.44Å; N189-A192 PolarHBondContact ND2-O 3.4Å; N189-A192 WeakPolarHBondContact O-CB 3.37Å; N189-A192 PolarHBondContact O-N 3.06Å; N189-Q194 VanDerWaalsContact ND2-C 3.34Å; N189-Q194 PolarHBondContact ND2-O 3.43Å; N189-R195 PolarHBondContact OD1-NE 2.96Å
190S88.9Confident91.5Very high128 Ų12891 Ų9190%0.89551%0.514SS*.G310 helixtrans50.536.1-176.5-51.30000113.5F188 A192F188-S190 PolarHBondContact O-N 3.19Å; F188-S190 VanDerWaalsContact O-N 3.1Å; S190-A192 VanDerWaalsContact C-N 3.28Å; S190-A192 PolarHBondContact O-N 2.94Å
191G87.5Confident91.2Very high40 Ų4092.4 Ų92.441%0.41252%0.516SS..G310 helixtrans81.6-5.3-178.800000115.4V186 F188 N189V186-G191 WeakPolarHBondContact O-CA 3.2Å; V186-G191 PolarHBondContact O-N 2.87Å; V186-G191 VanDerWaalsContact O-N 3.17Å; F188-G191 PolarHBondContact O-N 3.29Å; N189-G191 PolarHBondContact O-N 3.24Å; N189-G191 VanDerWaalsContact O-N 3.12Å
192A91.1Very high91.1Very high51 Ų5199.6 Ų99.642%0.42155%0.55SS.*  trans-76.6129.1178.300000111.5N189 S190 Q194N189-A192 WeakPolarHBondContact CB-O 3.44Å; N189-A192 PolarHBondContact ND2-O 3.4Å; N189-A192 WeakPolarHBondContact O-CB 3.37Å; N189-A192 PolarHBondContact O-N 3.06Å; S190-A192 VanDerWaalsContact C-N 3.28Å; S190-A192 PolarHBondContact O-N 2.94Å; A192-Q194 WeakPolarHBondContact CB-O 3.41Å; A192-Q194 PolarHBondContact O-N 3.09Å
193K92.6Very high90.9Very high169 Ų169100.8 Ų100.874%0.73554%0.543SS*.SBendtrans-65.4-24175.7-67.3-175.9179.2179.40113.4
194Q94.4Very high90.7Very high80 Ų80100.7 Ų100.737%0.37454%0.541SS..  trans-136.4157.1-176.7-63.4-177.4-18.900110.1R178 Y179 T180 N189 A192R178-Q194 VanDerWaalsContact CD-OE1 3.26Å; Y179-Q194 WeakPolarHBondContact O-CA 3.41Å; T180-Q194 HydrophobicContact CG2-CG 4.34Å; T180-Q194 WeakPolarHBondContact OG1-CG 3.36Å; T180-Q194 PolarHBondContact OG1-NE2 2.67Å; T180-Q194 VanDerWaalsContact OG1-NE2 3.17Å; N189-Q194 VanDerWaalsContact ND2-C 3.34Å; N189-Q194 PolarHBondContact ND2-O 3.43Å; A192-Q194 WeakPolarHBondContact CB-O 3.41Å; A192-Q194 PolarHBondContact O-N 3.09Å
195R93.2Very high90.7Very high99 Ų9999.1 Ų99.137%0.37454%0.537SS..EExtended strand (participates in β ladder)trans-128145.8168.761-174.672.7176.45109.8Y179 N189 I197Y179-R195 HydrophobicContact CD1-CG 3.86Å; Y179-R195 HydrophobicContact CG-CG 4.48Å; Y179-R195 PolarHBondContact N-O 3.5Å; Y179-R195 PolarHBondContact O-N 3.01Å; N189-R195 PolarHBondContact OD1-NE 2.96Å; R195-I197 HydrophobicContact CG-CD1 4.35Å; R195-I197 HydrophobicContact CG-CG1 4.24Å
196V95Very high90.5Very high90 Ų90101.8 Ų101.855%0.54555%0.546SS..EExtended strand (participates in β ladder)trans-100.1126172.8-177.70000107.5Y176 I177Y176-V196 HydrophobicContact CD1-CG1 3.99Å; I177-V196 WeakPolarHBondContact O-CA 3.44Å
197I94.8Very high90.4Very high59 Ų59103.3 Ų103.330%0.30355%0.546SS..EExtended strand (participates in β ladder)trans-112.3126.1-177.7-58.1161.8000107.4Y176 I177 Y179 R195 M199Y176-I197 WeakPolarHBondContact CA-O 3.29Å; I177-I197 HydrophobicContact CD1-CB 4.24Å; I177-I197 HydrophobicContact CD1-CD1 4.36Å; I177-I197 HydrophobicContact CD1-CG2 4.47Å; I177-I197 HydrophobicContact CG1-CB 3.73Å; I177-I197 HydrophobicContact CG1-CD1 4.44Å; I177-I197 HydrophobicContact CG1-CG2 4.35Å; I177-I197 PolarHBondContact N-O 3.41Å; I177-I197 PolarHBondContact O-N 2.69Å; Y179-I197 HydrophobicContact CD1-CD1 4.33Å; Y179-I197 HydrophobicContact CG-CD1 4.2Å; R195-I197 HydrophobicContact CG-CD1 4.35Å; R195-I197 HydrophobicContact CG-CG1 4.24Å; I197-M199 HydrophobicContact CG2-SD 3.87Å
198R95.7Very high90.2Very high156 Ų156102.5 Ų102.559%0.58953%0.527SS*.EExtended strand (participates in β ladder)trans-87.7110.3171.8-174.8-176.1174-176.1-1.3108.7A174 Y176 V200A174-R198 HydrophobicContact CB-CG 4.11Å; Y176-R198 HydrophobicContact CD1-CB 3.94Å; Y176-R198 HydrophobicContact CD1-CG 4.21Å; Y176-R198 HydrophobicContact CE1-CB 3.66Å; Y176-R198 HydrophobicContact CE1-CG 3.68Å; Y176-R198 HydrophobicContact CE2-CG 4.47Å; R198-V200 HydrophobicContact CG-CG2 4.05Å
199M94.7Very high90.3Very high97 Ų97102.6 Ų102.648%0.47854%0.537SS..EExtended strand (participates in β ladder)trans-87.7125.2172.8-60.6-62.5-6900109.1Q175 I177 I197Q175-M199 HydrophobicContact CB-CB 4.36Å; Q175-M199 PolarHBondContact N-O 3.21Å; Q175-M199 WeakPolarHBondContact O-CB 3.38Å; Q175-M199 PolarHBondContact O-N 2.82Å; I177-M199 HydrophobicContact CD1-CG 3.88Å; I177-M199 HydrophobicContact CD1-SD 4.06Å; I177-M199 HydrophobicContact CG1-CG 4.13Å; I177-M199 HydrophobicContact CG2-CG 4.42Å; I197-M199 HydrophobicContact CG2-SD 3.87Å
200V92.6Very high90.4Very high90 Ų90106.2 Ų106.255%0.54556%0.563SS.*  trans-128.8130.2174.1-175.70000107A174 R198A174-V200 HydrophobicContact CB-CG2 4.14Å; R198-V200 HydrophobicContact CG-CG2 4.05Å
201E88.9Confident90.6Very high95 Ų95108.1 Ų108.144%0.44455%0.55SS.*PPolyproline II helixtrans-70.7129.3174.3-172.8168.5-170.800109.5L171 Q203 K204L171-E201 WeakPolarHBondContact CD2-O 3.4Å; E201-Q203 PolarHBondContact O-N 2.94Å; E201-K204 IonicContact OE1-NZ 3.72Å
202M89.7Confident90.9Very high163 Ų163114.2 Ų114.280%0.80357%0.566SS**PPolyproline II helixtrans-68.4124.6176.1-171.480.574.200108.9K204M202-K204 PolarHBondContact O-N 3.12Å
203Q87.9Confident91Very high142 Ų142120.9 Ų120.966%0.66459%0.585SS**PPolyproline II helixtrans-59.7122.2175.6-166.4173.55.200109.7L171 E201L171-Q203 HydrophobicContact CD1-CB 4.41Å; L171-Q203 HydrophobicContact CD1-CG 4.48Å; L171-Q203 HydrophobicContact CD2-CB 3.96Å; L171-Q203 HydrophobicContact CD2-CG 4.34Å; E201-Q203 PolarHBondContact O-N 2.94Å
204K85.8Confident91.1Very high124 Ų124120.4 Ų120.454%0.53959%0.589SS.*PPolyproline II helixtrans-83.8134.7176.3-66.2174.8-170.4141.20109.2D169 E201 M202 P206D169-K204 IonicContact OD2-NZ 3.8Å; E201-K204 IonicContact OE1-NZ 3.72Å; M202-K204 PolarHBondContact O-N 3.12Å; K204-P206 WeakPolarHBondContact O-CD 3.44Å
205D87.8Confident91.1Very high93 Ų93122.7 Ų122.750%0.49760%0.604SS.*PPolyproline II helixtrans-69.5121.1172.9173.86.8000109.1M207 E208D205-M207 PolarHBondContact O-N 3.35Å; D205-M207 PolarHBondContact OD1-N 3.24Å; D205-E208 HydrophobicContact CB-CB 3.91Å; D205-E208 WeakPolarHBondContact O-CB 3.46Å; D205-E208 PolarHBondContact O-N 3.08Å; D205-E208 VanDerWaalsContact O-N 3.13Å
206P84.6Confident91.1Very high97 Ų97126.1 Ų126.163%0.6362%0.622SS**THydrogen-bonded Turntrans-64.4-17.5179.427.6-35.9000113.7K204K204-P206 WeakPolarHBondContact O-CD 3.44Å
207M87.7Confident91.1Very high163 Ų163131.5 Ų131.580%0.80364%0.638SS**THydrogen-bonded Turntrans-96.2-2.5177.4-59.7-60.4167.100113.1D205 P209D205-M207 PolarHBondContact O-N 3.35Å; D205-M207 PolarHBondContact OD1-N 3.24Å; M207-P209 WeakPolarHBondContact O-CD 3.17Å
208E87.2Confident91.1Very high77 Ų77135 Ų13536%0.3666%0.656SS.*PPolyproline II helixtrans-73.4121.7179.2-176.6175.2-156.200110.8D205 R211D205-E208 HydrophobicContact CB-CB 3.91Å; D205-E208 WeakPolarHBondContact O-CB 3.46Å; D205-E208 PolarHBondContact O-N 3.08Å; D205-E208 VanDerWaalsContact O-N 3.13Å; E208-R211 IonicContact OE1-CZ 3.9Å; E208-R211 IonicContact OE1-NE 3.54Å; E208-R211 PolarHBondContact OE1-NE 2.93Å; E208-R211 IonicContact OE1-NH2 3.84Å; E208-R211 PolarHBondContact OE1-NH2 3.48Å; E208-R211 VanDerWaalsContact OE1-NH2 3.13Å; E208-R211 IonicContact OE2-CZ 2.76Å; E208-R211 IonicContact OE2-NE 3.73Å; E208-R211 PolarHBondContact OE2-NE 3.38Å; E208-R211 IonicContact OE2-NH2 2.58Å; E208-R211 PolarHBondContact OE2-NH2 2.98Å
209P89Confident91.1Very high97 Ų97133.3 Ų133.363%0.6367%0.665SS**PPolyproline II helixtrans-69.416317530.2-35.2000111.3M207 R211M207-P209 WeakPolarHBondContact O-CD 3.17Å; P209-R211 PolarHBondContact O-N 3.01Å
210P90.2Very high91.2Very high120 Ų120140.3 Ų140.378%0.77969%0.686SS**PPolyproline II helixtrans-53.7116.7175.6-26.434.9000112.8F212P210-F212 VanDerWaalsContact C-N 3.3Å; P210-F212 PolarHBondContact O-N 2.91Å
211R91.5Very high91.2Very high168 Ų168138.4 Ų138.463%0.63469%0.685SS**SBendtrans-59.4-32.2-173.8-67.3-176.5-177.8152.28115.2E208 P209E208-R211 IonicContact OE1-CZ 3.9Å; E208-R211 IonicContact OE1-NE 3.54Å; E208-R211 PolarHBondContact OE1-NE 2.93Å; E208-R211 IonicContact OE1-NH2 3.84Å; E208-R211 PolarHBondContact OE1-NH2 3.48Å; E208-R211 VanDerWaalsContact OE1-NH2 3.13Å; E208-R211 IonicContact OE2-CZ 2.76Å; E208-R211 IonicContact OE2-NE 3.73Å; E208-R211 PolarHBondContact OE2-NE 3.38Å; E208-R211 IonicContact OE2-NH2 2.58Å; E208-R211 PolarHBondContact OE2-NH2 2.98Å; P209-R211 PolarHBondContact O-N 3.01Å
212F94.1Very high91.5Very high169 Ų169139.9 Ų139.974%0.74170%0.703SS**SBendtrans-130146.3-170.1-50.3-61000112.2P210 I214P210-F212 VanDerWaalsContact C-N 3.3Å; P210-F212 PolarHBondContact O-N 2.91Å; F212-I214 PolarHBondContact O-N 3.26Å
213K93.7Very high91.7Very high190 Ų190137.5 Ų137.583%0.82670%0.699SS**  trans-73119.9174.8-65.9-173.7179.3-177.40110.5
214I93.6Very high91.9Very high160 Ų160134.3 Ų134.382%0.82169%0.693SS**  trans-90.1-14.4-178.7-58.2171.7000112F212 K216F212-I214 PolarHBondContact O-N 3.26Å; I214-K216 PolarHBondContact O-N 3.43Å
215N94.5Very high92.2Very high127 Ų127130.4 Ų130.468%0.67968%0.68SS**  trans-78.219-172.469.1-28.8000115.3K217N215-K217 PolarHBondContact O-N 2.82Å; N215-K217 VanDerWaalsContact O-N 3.08Å
216K94.4Very high92.5Very high171 Ų171131.5 Ų131.574%0.74369%0.692SS**  trans-68.5107.6177.7-172.3177.4-179178.90109.5I214 I218I214-K216 PolarHBondContact O-N 3.43Å; K216-I218 HydrophobicContact CG-CG2 4.39Å; K216-I218 PolarHBondContact O-N 2.9Å
217K95Very high92.9Very high204 Ų204130.3 Ų130.389%0.88769%0.69SS**  trans-74.4115.9175.4-65.4-178.2-178.8178.90109.3N215N215-K217 PolarHBondContact O-N 2.82Å; N215-K217 VanDerWaalsContact O-N 3.08Å
218I94.4Very high93.2Very high133 Ų133124.5 Ų124.568%0.68267%0.665SS**  trans-108.4146.3173.656.4175.7000109.7K216K216-I218 HydrophobicContact CG-CG2 4.39Å; K216-I218 PolarHBondContact O-N 2.9Å
219P96Very high93.6Very high120 Ų120126 Ų12678%0.77968%0.679SS**PPolyproline II helixtrans-56.8155.1168.8-22.233.5000110.7G221P219-G221 PolarHBondContact O-N 3.29Å
220R95.9Very high93.8Very high243 Ų243124.1 Ų124.192%0.91766%0.663SS**PPolyproline II helixtrans-61.4129.9171-168.4-179.2-67.6-98.41.1108.2
221G94.1Very high93.9Very high51 Ų51125.3 Ų125.353%0.52666%0.658SS.*PPolyproline II helixtrans-61.3168.617200000111.7P219P219-G221 PolarHBondContact O-N 3.29Å
222P94.6Very high94Very high126 Ų126122 Ų12282%0.81866%0.66SS**PPolyproline II helixtrans-56.8144.4172.426.3-33.6000109.7
223P94.3Very high93.9Very high113 Ų113119.4 Ų119.473%0.73466%0.66SS**PPolyproline II helixtrans-64.4171.6172.430.8-35.4000110.1
224S92.4Very high93.9Very high75 Ų75115.7 Ų115.752%0.52466%0.658SS.*SBendtrans-55146162.657.40000109.4
225P91.8Very high93.9Very high42 Ų42117.5 Ų117.527%0.27366%0.655SS.*  trans-42.9132.1176.6-26.227.7000111.1Q104 Q106 A227Q104-P225 WeakPolarHBondContact O-CG 3.41Å; Q106-P225 HydrophobicContact CG-CB 4.4Å; Q106-P225 HydrophobicContact CG-CG 3.96Å; Q106-P225 PolarHBondContact NE2-O 3.21Å; P225-A227 PolarHBondContact O-N 3.14Å
226P92.4Very high93.9Very high116 Ų116120.3 Ų120.375%0.75366%0.661SS**PPolyproline II helixtrans-59.6130.7-171.124.7-33.7000109.9
227A94Very high93.9Very high71 Ų71116.9 Ų116.959%0.58765%0.649SS**PPolyproline II helixtrans-65.6141.1173.400000109.5P225 V229P225-A227 PolarHBondContact O-N 3.14Å; A227-V229 PolarHBondContact O-N 3.44Å
228P95Very high93.9Very high42 Ų42110.7 Ų110.727%0.27363%0.628SS.*PPolyproline II helixtrans-55132.8171.7-25.435.5000111.2A102 I112 Y113 M230A102-P228 HydrophobicContact CB-CG 3.65Å; I112-P228 VanDerWaalsContact CG2-CD 3.41Å; I112-P228 HydrophobicContact CG2-CG 4.01Å; Y113-P228 WeakPolarHBondContact O-CB 3.39Å; Y113-P228 VanDerWaalsContact O-CG 3.32Å; Y113-P228 WeakPolarHBondContact O-CG 3.44Å; P228-M230 HydrophobicContact CB-SD 4.3Å; P228-M230 PolarHBondContact O-N 2.95Å
229V95Very high94Very high109 Ų109109.5 Ų109.566%0.66163%0.627SS**  trans-86.5103.7-177.6-177.80000108.9A227 H231A227-V229 PolarHBondContact O-N 3.44Å; V229-H231 VanDerWaalsContact C-N 3.34Å; V229-H231 WeakPolarHBondContact CG1-CE1 3.5Å; V229-H231 VanDerWaalsContact CG1-NE2 3.29Å; V229-H231 WeakPolarHBondContact CG1-NE2 3.38Å; V229-H231 PolarHBondContact O-N 3.23Å; V229-H231 VanDerWaalsContact O-N 3.13Å
230M92.3Very high94.1Very high57 Ų57110.6 Ų110.628%0.28162%0.619SS.*  trans-8867.5-175.2-57.1-58.5-86.800110.6K115 D118 L119 P228K115-M230 WeakPolarHBondContact O-CE 3.41Å; D118-M230 HydrophobicContact CB-CE 3.9Å; L119-M230 HydrophobicContact CB-CE 4.42Å; L119-M230 HydrophobicContact CD1-CB 4.38Å; L119-M230 HydrophobicContact CD1-CE 3.88Å; L119-M230 HydrophobicContact CD1-SD 4.39Å; L119-M230 HydrophobicContact CD2-CB 3.7Å; L119-M230 WeakPolarHBondContact CD2-O 3.24Å; L119-M230 HydrophobicContact CG-CB 3.95Å; L119-M230 HydrophobicContact CG-CE 3.61Å; L119-M230 HydrophobicContact CG-SD 4.45Å; P228-M230 HydrophobicContact CB-SD 4.3Å; P228-M230 PolarHBondContact O-N 2.95Å
231H93.3Very high94.1Very high145 Ų145100.5 Ų100.567%0.67158%0.583SS**PPolyproline II helixtrans-85155.5173.2-69168.5000111.6V229V229-H231 VanDerWaalsContact C-N 3.34Å; V229-H231 WeakPolarHBondContact CG1-CE1 3.5Å; V229-H231 VanDerWaalsContact CG1-NE2 3.29Å; V229-H231 WeakPolarHBondContact CG1-NE2 3.38Å; V229-H231 PolarHBondContact O-N 3.23Å; V229-H231 VanDerWaalsContact O-N 3.13Å
232S93Very high94.2Very high97 Ų97103.7 Ų103.768%0.67858%0.584SS**PPolyproline II helixtrans-63.1162.4160.154.80000110.5S234S232-S234 PolarHBondContact O-N 3.28Å
233P92.6Very high94.3Very high115 Ų115104 Ų10475%0.74757%0.574SS**SBendtrans-49.8131.3172-27.635.5000110.8R235P233-R235 PolarHBondContact O-N 3.5Å
234S94.2Very high94.4Very high113 Ų113104.8 Ų104.879%0.7957%0.568SS**PPolyproline II helixtrans-54.8124.7-175.2590000110.6S232 K236S232-S234 PolarHBondContact O-N 3.28Å; S234-K236 PolarHBondContact O-N 2.94Å
235R93.6Very high94.6Very high198 Ų198110 Ų11075%0.74758%0.576SS**PPolyproline II helixtrans-54.1131.2176.1-173.9-179.6176.9-139.7-6.1109.2P233 M237 E241P233-R235 PolarHBondContact O-N 3.5Å; R235-M237 PolarHBondContact O-N 3.3Å; R235-E241 IonicContact CZ-OE1 3.65Å; R235-E241 IonicContact CZ-OE2 3.92Å; R235-E241 IonicContact NH1-OE1 2.86Å; R235-E241 PolarHBondContact NH1-OE1 3Å; R235-E241 IonicContact NH1-OE2 2.68Å; R235-E241 IonicContact NH2-OE1 3.74Å; R235-E241 IonicContact NH2-OE2 2.75Å
236K94.1Very high94.9Very high186 Ų186116 Ų11681%0.80960%0.598SS**  trans-68.997179.9-168.268.6172.4174.40109.4S234 T238S234-K236 PolarHBondContact O-N 2.94Å; K236-T238 PolarHBondContact O-N 2.85Å
237M93.9Very high95Very high99 Ų99117.6 Ų117.649%0.48860%0.599SS.*  trans-61.7121.3175.2-174.164.569.600109.3R235 E241 Q242R235-M237 PolarHBondContact O-N 3.3Å; M237-E241 HydrophobicContact SD-CB 3.75Å; M237-E241 HydrophobicContact SD-CG 3.47Å; M237-E241 WeakPolarHBondContact SD-CG 3.38Å; M237-Q242 HydrophobicContact CG-CB 4.17Å
238T95.7Very high95Very high74 Ų74119.1 Ų119.145%0.45460%0.603SS.*  trans-79.6150.1174.768.30000109.8K236 K240 E241 Q242K236-T238 PolarHBondContact O-N 2.85Å; T238-K240 PolarHBondContact O-N 3.13Å; T238-E241 PolarHBondContact O-N 3.31Å; T238-E241 VanDerWaalsContact OG1-CB 3.27Å; T238-E241 WeakPolarHBondContact OG1-CB 3.2Å; T238-E241 PolarHBondContact OG1-N 3.28Å; T238-Q242 PolarHBondContact O-N 2.8Å
239V96.3Very high95Very high108 Ų108122.3 Ų122.366%0.65562%0.623SS**Hα-helixtrans-59.1-35.1175.7178.20000110.7Q242 Q243V239-Q242 PolarHBondContact O-N 3.39Å; V239-Q243 HydrophobicContact CG1-CG 4.47Å; V239-Q243 WeakPolarHBondContact O-CB 3.45Å; V239-Q243 VanDerWaalsContact O-CG 3.3Å; V239-Q243 WeakPolarHBondContact O-CG 3.49Å; V239-Q243 PolarHBondContact O-N 2.86Å
240K96.6Very high94.9Very high143 Ų143123 Ų12362%0.62263%0.632SS**Hα-helixtrans-58.9-53.3173.7-178-178.4172.7-174.10111.5T238 Q242 Q243 E244T238-K240 PolarHBondContact O-N 3.13Å; K240-Q242 VanDerWaalsContact C-N 3.33Å; K240-Q242 PolarHBondContact O-N 3.38Å; K240-Q243 PolarHBondContact O-N 2.8Å; K240-Q243 VanDerWaalsContact O-N 3.1Å; K240-E244 WeakPolarHBondContact CE-OE1 3.42Å; K240-E244 IonicContact NZ-OE1 2.83Å; K240-E244 WeakPolarHBondContact O-CG 3.42Å; K240-E244 PolarHBondContact O-N 2.76Å
241E96.4Very high95Very high31 Ų31121.9 Ų121.915%0.14563%0.626CS.*Hα-helixtrans-59.9-44.1178.1-171.8175.1-166.100110.7R235 M237 T238 Q243 E244 W245R235-E241 IonicContact CZ-OE1 3.65Å; R235-E241 IonicContact CZ-OE2 3.92Å; R235-E241 IonicContact NH1-OE1 2.86Å; R235-E241 PolarHBondContact NH1-OE1 3Å; R235-E241 IonicContact NH1-OE2 2.68Å; R235-E241 IonicContact NH2-OE1 3.74Å; R235-E241 IonicContact NH2-OE2 2.75Å; M237-E241 HydrophobicContact SD-CB 3.75Å; M237-E241 HydrophobicContact SD-CG 3.47Å; M237-E241 WeakPolarHBondContact SD-CG 3.38Å; T238-E241 PolarHBondContact O-N 3.31Å; T238-E241 VanDerWaalsContact OG1-CB 3.27Å; T238-E241 WeakPolarHBondContact OG1-CB 3.2Å; T238-E241 PolarHBondContact OG1-N 3.28Å; E241-Q243 VanDerWaalsContact C-N 3.25Å; E241-Q243 PolarHBondContact O-N 2.66Å; E241-E244 PolarHBondContact O-N 3.21Å; E241-W245 PolarHBondContact O-N 3.08Å; E241-W245 VanDerWaalsContact O-N 3.11Å
242Q96.2Very high95Very high117 Ų117116.4 Ų116.455%0.54761%0.605SS.*Hα-helixtrans-60.4-33.4176.4-173.161.455.400113.3M237 T238 V239 K240M237-Q242 HydrophobicContact CG-CB 4.17Å; T238-Q242 PolarHBondContact O-N 2.8Å; V239-Q242 PolarHBondContact O-N 3.39Å; K240-Q242 VanDerWaalsContact C-N 3.33Å; K240-Q242 PolarHBondContact O-N 3.38Å
243Q97Very high94.9Very high134 Ų134115 Ų11563%0.62659%0.59SS**Hα-helixtrans-77-38.5176.3-74.4176.5-1.600112.5V239 K240 E241 W245 K246V239-Q243 HydrophobicContact CG1-CG 4.47Å; V239-Q243 WeakPolarHBondContact O-CB 3.45Å; V239-Q243 VanDerWaalsContact O-CG 3.3Å; V239-Q243 WeakPolarHBondContact O-CG 3.49Å; V239-Q243 PolarHBondContact O-N 2.86Å; K240-Q243 PolarHBondContact O-N 2.8Å; K240-Q243 VanDerWaalsContact O-N 3.1Å; E241-Q243 VanDerWaalsContact C-N 3.25Å; E241-Q243 PolarHBondContact O-N 2.66Å; Q243-W245 PolarHBondContact O-N 3.42Å; Q243-K246 VanDerWaalsContact O-CB 3.24Å; Q243-K246 WeakPolarHBondContact O-CB 3.47Å; Q243-K246 PolarHBondContact O-N 3.45Å; Q243-K246 VanDerWaalsContact O-N 3.08Å
244E97.1Very high95Very high129 Ų129120.3 Ų120.360%0.60360%0.595SS**Hα-helixtrans-59.5-37.5174.9-74172.2177.100111.7K240 E241 K246K240-E244 WeakPolarHBondContact CE-OE1 3.42Å; K240-E244 IonicContact NZ-OE1 2.83Å; K240-E244 WeakPolarHBondContact O-CG 3.42Å; K240-E244 PolarHBondContact O-N 2.76Å; E241-E244 PolarHBondContact O-N 3.21Å; E244-K246 VanDerWaalsContact C-N 3.28Å; E244-K246 PolarHBondContact O-N 3Å
245W96.5Very high95Very high184 Ų184123 Ų12370%0.69759%0.592SS**THydrogen-bonded Turntrans-84.35.8177.5-70.6104.6000114.3E241 Q243 I247E241-W245 PolarHBondContact O-N 3.08Å; E241-W245 VanDerWaalsContact O-N 3.11Å; Q243-W245 PolarHBondContact O-N 3.42Å; W245-I247 PolarHBondContact O-N 3.15Å
246K97.1Very high95Very high168 Ų168116.5 Ų116.573%0.7357%0.573SS**  trans-76.296.7176.4-169.5176.6179.9179.40110.1Q243 E244 P248Q243-K246 VanDerWaalsContact O-CB 3.24Å; Q243-K246 WeakPolarHBondContact O-CB 3.47Å; Q243-K246 PolarHBondContact O-N 3.45Å; Q243-K246 VanDerWaalsContact O-N 3.08Å; E244-K246 VanDerWaalsContact C-N 3.28Å; E244-K246 PolarHBondContact O-N 3Å; K246-P248 WeakPolarHBondContact O-CD 3.31Å
247I95.7Very high95.2Very high149 Ų149112.7 Ų112.776%0.76458%0.575SS**PPolyproline II helixtrans-64.9122.5179.8-56.7178000110.2W245W245-I247 PolarHBondContact O-N 3.15Å
248P94Very high95.3Very high104 Ų104115.5 Ų115.568%0.67559%0.585SS**PPolyproline II helixtrans-59.1146.9174.5-24.835000112.3K246 C250K246-P248 WeakPolarHBondContact O-CD 3.31Å; P248-C250 PolarHBondContact O-N 3.42Å
249P94.2Very high95.3Very high108 Ų108114.5 Ų114.570%0.70159%0.589SS**PPolyproline II helixtrans-62.6136.1177.927.4-34.4000110.6I251P249-I251 PolarHBondContact O-N 3.23Å
250C93.8Very high95.3Very high124 Ų124116.2 Ų116.284%0.83859%0.585SS**  trans-73.9101.7176.4-176.80000110.2P248P248-C250 PolarHBondContact O-N 3.42Å
251I93.9Very high95.2Very high33 Ų33116.1 Ų116.117%0.16960%0.597CS.*  trans-97.195.1172.3-61.2169.2000107.2P249 I262 K266P249-I251 PolarHBondContact O-N 3.23Å; I251-I262 HydrophobicContact CD1-CG2 3.97Å; I251-I262 HydrophobicContact CG2-CG1 4.37Å; I251-I262 HydrophobicContact CG2-CG2 3.91Å; I251-K266 HydrophobicContact CD1-CB 3.93Å; I251-K266 WeakPolarHBondContact CD1-O 3.49Å
252S92.5Very high95.1Very high30 Ų30116.6 Ų116.621%0.2160%0.6CS.*  trans-77.8141.6178.6-179.80000111W254 K255 R267S252-W254 VanDerWaalsContact C-N 3.27Å; S252-W254 PolarHBondContact OG-N 2.68Å; S252-W254 VanDerWaalsContact OG-N 3.1Å; S252-K255 WeakPolarHBondContact CB-O 3.46Å; S252-K255 PolarHBondContact OG-N 2.74Å; S252-K255 VanDerWaalsContact OG-N 3.16Å; S252-R267 PolarHBondContact O-NH1 3.49Å
253N91.8Very high95Very high69 Ų69114.6 Ų114.637%0.36960%0.597SS.*SBendtrans-78.1-12.4169-70.2-24.2000112.7R267 D271N253-R267 WeakPolarHBondContact OD1-CD 3.4Å; N253-R267 PolarHBondContact OD1-O 2.93Å; N253-R267 VanDerWaalsContact OD1-O 3.12Å; N253-D271 PolarHBondContact ND2-OD2 3.45Å
254W93.5Very high94.8Very high226 Ų226115 Ų11586%0.85660%0.603SS**SBendtrans-106.4-34.9-179-62.3-90.3000113.8S252S252-W254 VanDerWaalsContact C-N 3.27Å; S252-W254 PolarHBondContact OG-N 2.68Å; S252-W254 VanDerWaalsContact OG-N 3.1Å
255K95.2Very high94.6Very high168 Ų168113.3 Ų113.373%0.7360%0.598SS**  trans-127.6131.1-171.5-67.1-65.6-175.7-1800112.3S252S252-K255 WeakPolarHBondContact CB-O 3.46Å; S252-K255 PolarHBondContact OG-N 2.74Å; S252-K255 VanDerWaalsContact OG-N 3.16Å
256N94.6Very high94.4Very high63 Ų63109.5 Ų109.534%0.33759%0.586SS.*  trans-136.976.5172.1-175.98.6000109.2K258 G259 Y260N256-K258 PolarHBondContact O-N 2.96Å; N256-K258 VanDerWaalsContact O-N 3.15Å; N256-G259 VanDerWaalsContact ND2-C 3.35Å; N256-G259 PolarHBondContact O-N 3.12Å; N256-G259 VanDerWaalsContact O-N 3.08Å; N256-G259 PolarHBondContact OD1-N 3.13Å; N256-Y260 PolarHBondContact ND2-N 3.1Å; N256-Y260 VanDerWaalsContact ND2-N 3.12Å; N256-Y260 PolarHBondContact ND2-O 2.65Å; N256-Y260 PolarHBondContact OD1-N 3.2Å
257A96.8Very high94.1Very high105 Ų105104.1 Ų104.187%0.86856%0.561SS**THydrogen-bonded Turntrans-61.2-26.8-169.600000114.2
258K96.5Very high93.9Very high158 Ų158101.9 Ų101.969%0.68755%0.55SS**THydrogen-bonded Turntrans-101.70.6178.9-62.1-57-17277.70113.7N256 Y260N256-K258 PolarHBondContact O-N 2.96Å; N256-K258 VanDerWaalsContact O-N 3.15Å; K258-Y260 VanDerWaalsContact C-N 3.34Å; K258-Y260 HydrophobicContact CB-CD1 4.26Å; K258-Y260 HydrophobicContact CB-CD2 4.12Å; K258-Y260 HydrophobicContact CB-CE1 3.86Å; K258-Y260 HydrophobicContact CB-CE2 3.73Å; K258-Y260 HydrophobicContact CB-CG 4.37Å; K258-Y260 HydrophobicContact CG-CE2 4.15Å; K258-Y260 PolarHBondContact O-N 3.19Å
259G95.1Very high93.6Very high53 Ų53100.6 Ų100.655%0.54655%0.549SS..  trans67.228.9179.800000114.4N256 T261N256-G259 VanDerWaalsContact ND2-C 3.35Å; N256-G259 PolarHBondContact O-N 3.12Å; N256-G259 VanDerWaalsContact O-N 3.08Å; N256-G259 PolarHBondContact OD1-N 3.13Å; G259-T261 PolarHBondContact O-N 3.36Å
260Y96.4Very high93.3Very high145 Ų14599.2 Ų99.257%0.56955%0.546SS*.  trans-64.2131.4178.8-62.8-44.6000111.9N256 K258 I262N256-Y260 PolarHBondContact ND2-N 3.1Å; N256-Y260 VanDerWaalsContact ND2-N 3.12Å; N256-Y260 PolarHBondContact ND2-O 2.65Å; N256-Y260 PolarHBondContact OD1-N 3.2Å; K258-Y260 VanDerWaalsContact C-N 3.34Å; K258-Y260 HydrophobicContact CB-CD1 4.26Å; K258-Y260 HydrophobicContact CB-CD2 4.12Å; K258-Y260 HydrophobicContact CB-CE1 3.86Å; K258-Y260 HydrophobicContact CB-CE2 3.73Å; K258-Y260 HydrophobicContact CB-CG 4.37Å; K258-Y260 HydrophobicContact CG-CE2 4.15Å; K258-Y260 PolarHBondContact O-N 3.19Å; Y260-I262 PolarHBondContact O-N 3.2Å
261T95.5Very high92.8Very high140 Ų14095.1 Ų95.186%0.85952%0.516SS*.  trans-74.9105.3168.4-54.80000108.5G259G259-T261 PolarHBondContact O-N 3.36Å
262I93.9Very high92.3Very high42 Ų4295.3 Ų95.322%0.21553%0.526CS..  trans-100.6123.9178.8-52.4-60.4000108.3I251 Y260 K266 R267I251-I262 HydrophobicContact CD1-CG2 3.97Å; I251-I262 HydrophobicContact CG2-CG1 4.37Å; I251-I262 HydrophobicContact CG2-CG2 3.91Å; Y260-I262 PolarHBondContact O-N 3.2Å; I262-K266 HydrophobicContact CG2-CB 3.59Å; I262-R267 VanDerWaalsContact CG1-NH2 3.27Å
263P95Very high91.6Very high75 Ų75101.8 Ų101.849%0.48755%0.546SS..  trans-51.3145.4172.4-27.736.3000111.8D265 K266 R267P263-D265 VanDerWaalsContact C-N 3.27Å; P263-D265 WeakPolarHBondContact CB-OD1 3.46Å; P263-D265 PolarHBondContact O-N 3.07Å; P263-K266 HydrophobicContact CB-CD 4.36Å; P263-K266 PolarHBondContact O-N 2.83Å; P263-R267 PolarHBondContact O-N 3.35Å
264L92.4Very high91Very high143 Ų143102.3 Ų102.375%0.74957%0.568SS**Hα-helixtrans-60.5-34.9-170.8-63.7177.1000113.2R267 L268L264-R267 WeakPolarHBondContact O-CB 3.44Å; L264-R267 PolarHBondContact O-N 3.12Å; L264-L268 WeakPolarHBondContact O-CG 3.25Å; L264-L268 PolarHBondContact O-N 2.82Å
265D91.7Very high90.8Very high93 Ų9399.3 Ų99.350%0.49757%0.568SS.*Hα-helixtrans-64.1-38.7175.163.1-30000112P263 L268 A269P263-D265 VanDerWaalsContact C-N 3.27Å; P263-D265 WeakPolarHBondContact CB-OD1 3.46Å; P263-D265 PolarHBondContact O-N 3.07Å; D265-L268 PolarHBondContact O-N 2.98Å; D265-A269 WeakPolarHBondContact O-CB 3.41Å; D265-A269 PolarHBondContact O-N 3.19Å
266K93.5Very high90.4Very high104 Ų10498.1 Ų98.145%0.45257%0.565SS.*Hα-helixtrans-75.9-28.6175.1-79.867.5172.9-176.60111.9I251 I262 P263 L268 A269I251-K266 HydrophobicContact CD1-CB 3.93Å; I251-K266 WeakPolarHBondContact CD1-O 3.49Å; I262-K266 HydrophobicContact CG2-CB 3.59Å; P263-K266 HydrophobicContact CB-CD 4.36Å; P263-K266 PolarHBondContact O-N 2.83Å; K266-L268 VanDerWaalsContact C-N 3.34Å; K266-A269 WeakPolarHBondContact O-CB 3.35Å; K266-A269 PolarHBondContact O-N 3.16Å
267R91.1Very high90.2Very high54 Ų5499.8 Ų99.820%0.20458%0.577CS.*Hα-helixtrans-65.4-39.9172.2-172.166.965.7-173.72.8111.2S252 N253 I262 P263 L264S252-R267 PolarHBondContact O-NH1 3.49Å; N253-R267 WeakPolarHBondContact OD1-CD 3.4Å; N253-R267 PolarHBondContact OD1-O 2.93Å; N253-R267 VanDerWaalsContact OD1-O 3.12Å; I262-R267 VanDerWaalsContact CG1-NH2 3.27Å; P263-R267 PolarHBondContact O-N 3.35Å; L264-R267 WeakPolarHBondContact O-CB 3.44Å; L264-R267 PolarHBondContact O-N 3.12Å
268L90.2Very high89.9Confident102 Ų102101.5 Ų101.553%0.53458%0.577SS.*Hα-helixtrans-86.7-9.2177.4-64.1170.3000113.4L264 D265 K266 A270 D271L264-L268 WeakPolarHBondContact O-CG 3.25Å; L264-L268 PolarHBondContact O-N 2.82Å; D265-L268 PolarHBondContact O-N 2.98Å; K266-L268 VanDerWaalsContact C-N 3.34Å; L268-A270 VanDerWaalsContact C-N 3.31Å; L268-A270 PolarHBondContact O-N 3.22Å; L268-D271 WeakPolarHBondContact O-CA 3.49Å; L268-D271 WeakPolarHBondContact O-CB 3.28Å; L268-D271 PolarHBondContact O-N 3.06Å
269A89.1Confident89.6Confident78 Ų78101.4 Ų101.465%0.64558%0.578SS**THydrogen-bonded Turntrans-62.1-34.2-175.200000114D265 K266 D271D265-A269 WeakPolarHBondContact O-CB 3.41Å; D265-A269 PolarHBondContact O-N 3.19Å; K266-A269 WeakPolarHBondContact O-CB 3.35Å; K266-A269 PolarHBondContact O-N 3.16Å; A269-D271 VanDerWaalsContact C-N 3.27Å
270A87.7Confident89.5Confident79 Ų79105.5 Ų105.565%0.65359%0.586SS**THydrogen-bonded Turntrans-81.1-10.8174.600000112.6L268 G272L268-A270 VanDerWaalsContact C-N 3.31Å; L268-A270 PolarHBondContact O-N 3.22Å; A270-G272 PolarHBondContact O-N 3.2Å
271D82.6Confident89.4Confident37 Ų37102.5 Ų102.520%0.19858%0.58CS.*  trans-86.790.1-176.3-149.3-26.7000109.2N253 L268 A269 R273N253-D271 PolarHBondContact ND2-OD2 3.45Å; L268-D271 WeakPolarHBondContact O-CA 3.49Å; L268-D271 WeakPolarHBondContact O-CB 3.28Å; L268-D271 PolarHBondContact O-N 3.06Å; A269-D271 VanDerWaalsContact C-N 3.27Å; D271-R273 VanDerWaalsContact CG-NE 3.28Å; D271-R273 PolarHBondContact O-N 3.13Å; D271-R273 WeakPolarHBondContact OD1-CG 3.4Å; D271-R273 IonicContact OD1-CZ 3.97Å; D271-R273 IonicContact OD1-NE 3.09Å; D271-R273 PolarHBondContact OD1-NE 3.39Å; D271-R273 IonicContact OD1-NH2 2.78Å; D271-R273 IonicContact OD2-CZ 3.12Å; D271-R273 VanDerWaalsContact OD2-CZ 3.3Å; D271-R273 IonicContact OD2-NE 2.66Å; D271-R273 PolarHBondContact OD2-NE 3.03Å; D271-R273 IonicContact OD2-NH2 3.95Å; D271-R273 PolarHBondContact OD2-NH2 2.88Å
272G82.7Confident89.4Confident38 Ų38101.9 Ų101.939%0.39257%0.567SS.*G310 helixtrans-65.415-176.900000115.6A270 G274 L275A270-G272 PolarHBondContact O-N 3.2Å; G272-G274 PolarHBondContact O-N 3.38Å; G272-L275 WeakPolarHBondContact O-CB 3.47Å; G272-L275 PolarHBondContact O-N 3.26Å
273R78.2Confident89.6Confident166 Ų166104 Ų10463%0.62658%0.579SS**G310 helixtrans-57.4-30.1176.5-77.6-174.8-101.8-177.3-4.4112.7D271 L275 Q276D271-R273 VanDerWaalsContact CG-NE 3.28Å; D271-R273 PolarHBondContact O-N 3.13Å; D271-R273 WeakPolarHBondContact OD1-CG 3.4Å; D271-R273 IonicContact OD1-CZ 3.97Å; D271-R273 IonicContact OD1-NE 3.09Å; D271-R273 PolarHBondContact OD1-NE 3.39Å; D271-R273 IonicContact OD1-NH2 2.78Å; D271-R273 IonicContact OD2-CZ 3.12Å; D271-R273 VanDerWaalsContact OD2-CZ 3.3Å; D271-R273 IonicContact OD2-NE 2.66Å; D271-R273 PolarHBondContact OD2-NE 3.03Å; D271-R273 IonicContact OD2-NH2 3.95Å; D271-R273 PolarHBondContact OD2-NH2 2.88Å; R273-L275 VanDerWaalsContact C-N 3.29Å; R273-L275 PolarHBondContact O-N 2.68Å; R273-Q276 PolarHBondContact O-N 3.12Å
274G80.4Confident89.6Confident79 Ų79106.3 Ų106.381%0.81458%0.582SS**G310 helixtrans-70.9-18.9173.600000114.9G272 Q276G272-G274 PolarHBondContact O-N 3.38Å; G274-Q276 VanDerWaalsContact C-N 3.33Å
275L87.9Confident89.8Confident164 Ų164102.2 Ų102.286%0.85957%0.569SS**G310 helixtrans-85.1-9.7172.2-85.275.5000112.1G272 R273G272-L275 WeakPolarHBondContact O-CB 3.47Å; G272-L275 PolarHBondContact O-N 3.26Å; R273-L275 VanDerWaalsContact C-N 3.29Å; R273-L275 PolarHBondContact O-N 2.68Å
276Q87Confident90.1Very high143 Ų143103 Ų10367%0.66857%0.568SS**  trans-90.2121.4177.8-61.9177.6-5.600109.5R273 G274R273-Q276 PolarHBondContact O-N 3.12Å; G274-Q276 VanDerWaalsContact C-N 3.33Å
277T90.4Very high90.2Very high97 Ų97102.8 Ų102.860%0.59557%0.571SS**  trans-93.4132.3167.9164.80000109.5H279T277-H279 WeakPolarHBondContact CG2-CE1 3.45Å; T277-H279 WeakPolarHBondContact CG2-NE2 3.42Å; T277-H279 PolarHBondContact O-ND1 3.37Å
278V90.4Very high90.5Very high142 Ų142103.2 Ų103.286%0.86159%0.585SS**  trans-85.7111.5175.9-177.70000108.1
279H91Very high90.8Very high156 Ų156104.5 Ų104.572%0.72259%0.589SS**  trans-93.2124.3176.8-53.791.7000109.5T277T277-H279 WeakPolarHBondContact CG2-CE1 3.45Å; T277-H279 WeakPolarHBondContact CG2-NE2 3.42Å; T277-H279 PolarHBondContact O-ND1 3.37Å
280I93.3Very high91.2Very high138 Ų138103.5 Ų103.571%0.70858%0.58SS**  trans-105.3133.7171.2-167.265.7000109.6F284I280-F284 HydrophobicContact CD1-CD2 3.47Å; I280-F284 VanDerWaalsContact CD1-CD2 3.47Å; I280-F284 HydrophobicContact CD1-CE2 3.64Å; I280-F284 HydrophobicContact CD1-CG 4.26Å; I280-F284 HydrophobicContact CG1-CD2 3.87Å; I280-F284 HydrophobicContact CG1-CE2 4.47Å
281N94.2Very high91.7Very high83 Ų83105 Ų10544%0.44458%0.577SS.*  trans-75.4134.7-177.4-169.2-23.6000110.9N283 F284N281-N283 PolarHBondContact ND2-ND2 2.95Å; N281-N283 PolarHBondContact O-N 3.05Å; N281-N283 VanDerWaalsContact O-N 3.1Å; N281-N283 PolarHBondContact OD1-N 2.88Å; N281-N283 PolarHBondContact OD1-ND2 3.27Å; N281-F284 HydrophobicContact CB-CD2 3.96Å; N281-F284 HydrophobicContact CB-CE2 4.06Å; N281-F284 WeakPolarHBondContact O-CB 3.43Å; N281-F284 VanDerWaalsContact O-CD2 3.29Å; N281-F284 WeakPolarHBondContact O-CD2 3.29Å; N281-F284 PolarHBondContact O-N 3.01Å
282E95.5Very high92.3Very high126 Ų126110.7 Ų110.759%0.58960%0.597SS**THydrogen-bonded Turntrans-58.7-21.3175.257.2169.4-142.500113.6F284 A285 K286E282-F284 PolarHBondContact O-N 3.05Å; E282-A285 WeakPolarHBondContact O-CB 3.49Å; E282-A285 PolarHBondContact O-N 3.2Å; E282-K286 PolarHBondContact O-N 3.32Å; E282-K286 VanDerWaalsContact O-N 3.17Å; E282-K286 IonicContact OE1-NZ 3.07Å; E282-K286 PolarHBondContact OE1-NZ 3.19Å
283N96.4Very high93Very high86 Ų86112.8 Ų112.846%0.4660%0.598SS.*Hα-helixtrans-59.7-26.4174.2-67.5-21.6000112.8N281 A285 K286 L287N281-N283 PolarHBondContact ND2-ND2 2.95Å; N281-N283 PolarHBondContact O-N 3.05Å; N281-N283 VanDerWaalsContact O-N 3.1Å; N281-N283 PolarHBondContact OD1-N 2.88Å; N281-N283 PolarHBondContact OD1-ND2 3.27Å; N283-A285 VanDerWaalsContact C-N 3.32Å; N283-K286 PolarHBondContact O-N 2.86Å; N283-L287 WeakPolarHBondContact O-CB 3.49Å; N283-L287 PolarHBondContact O-N 3.32Å
284F96.9Very high93.9Very high125 Ų125107.6 Ų107.655%0.54859%0.591SS.*Hα-helixtrans-65.8-36.8174-72.3-72.4000111.8I280 N281 E282 A288I280-F284 HydrophobicContact CD1-CD2 3.47Å; I280-F284 VanDerWaalsContact CD1-CD2 3.47Å; I280-F284 HydrophobicContact CD1-CE2 3.64Å; I280-F284 HydrophobicContact CD1-CG 4.26Å; I280-F284 HydrophobicContact CG1-CD2 3.87Å; I280-F284 HydrophobicContact CG1-CE2 4.47Å; N281-F284 HydrophobicContact CB-CD2 3.96Å; N281-F284 HydrophobicContact CB-CE2 4.06Å; N281-F284 WeakPolarHBondContact O-CB 3.43Å; N281-F284 VanDerWaalsContact O-CD2 3.29Å; N281-F284 WeakPolarHBondContact O-CD2 3.29Å; N281-F284 PolarHBondContact O-N 3.01Å; E282-F284 PolarHBondContact O-N 3.05Å; F284-A288 WeakPolarHBondContact O-CB 3.32Å; F284-A288 PolarHBondContact O-N 3.01Å
285A96.4Very high94.7Very high57 Ų57107.5 Ų107.547%0.47157%0.572SS.*Hα-helixtrans-68.9-47.9174.300000110.9E282 N283 L287 A288 E289E282-A285 WeakPolarHBondContact O-CB 3.49Å; E282-A285 PolarHBondContact O-N 3.2Å; N283-A285 VanDerWaalsContact C-N 3.32Å; A285-L287 VanDerWaalsContact C-N 3.29Å; A285-L287 PolarHBondContact O-N 3.1Å; A285-A288 PolarHBondContact O-N 3.17Å; A285-E289 WeakPolarHBondContact O-CG 3.2Å; A285-E289 PolarHBondContact O-N 3.46Å
286K97Very high95.1Very high110 Ų110105 Ų10548%0.47855%0.551SS.*Hα-helixtrans-57.6-41.4176.6-62.8176.9-171164.50112E282 N283 A290E282-K286 PolarHBondContact O-N 3.32Å; E282-K286 VanDerWaalsContact O-N 3.17Å; E282-K286 IonicContact OE1-NZ 3.07Å; E282-K286 PolarHBondContact OE1-NZ 3.19Å; N283-K286 PolarHBondContact O-N 2.86Å; K286-A290 VanDerWaalsContact O-CB 3.23Å; K286-A290 WeakPolarHBondContact O-CB 3.39Å; K286-A290 PolarHBondContact O-N 3.5Å
287L97Very high95.6Very high99 Ų99103.4 Ų103.452%0.51854%0.542SS..Hα-helixtrans-66.5-45.3177.3179.264.4000111.8N283 A285 E289 A290 L291N283-L287 WeakPolarHBondContact O-CB 3.49Å; N283-L287 PolarHBondContact O-N 3.32Å; A285-L287 VanDerWaalsContact C-N 3.29Å; A285-L287 PolarHBondContact O-N 3.1Å; L287-E289 PolarHBondContact O-N 2.95Å; L287-A290 PolarHBondContact O-N 2.97Å; L287-L291 HydrophobicContact CD1-CD1 4.18Å; L287-L291 HydrophobicContact CD1-CG 4.26Å; L287-L291 HydrophobicContact CG-CD1 4.17Å; L287-L291 WeakPolarHBondContact O-CB 3.41Å; L287-L291 WeakPolarHBondContact O-CG 3.33Å; L287-L291 PolarHBondContact O-N 3.03Å
288A97.4Very high95.9Very high62 Ų62101.3 Ų101.351%0.51253%0.534SS..Hα-helixtrans-61.9-43.5178.800000111.6F284 A285 Y292F284-A288 WeakPolarHBondContact O-CB 3.32Å; F284-A288 PolarHBondContact O-N 3.01Å; A285-A288 PolarHBondContact O-N 3.17Å; A288-Y292 WeakPolarHBondContact O-CB 3.23Å; A288-Y292 PolarHBondContact O-N 3.37Å
289E96.3Very high96.2Very high130 Ų130102.5 Ų102.561%0.60752%0.523SS*.Hα-helixtrans-66-43.9175.9-71.7-179.317600112.3A285 L287 L291 Y292 I293A285-E289 WeakPolarHBondContact O-CG 3.2Å; A285-E289 PolarHBondContact O-N 3.46Å; L287-E289 PolarHBondContact O-N 2.95Å; E289-L291 PolarHBondContact O-N 2.91Å; E289-Y292 PolarHBondContact O-N 3.25Å; E289-I293 WeakPolarHBondContact O-CG1 3.33Å; E289-I293 PolarHBondContact O-N 3.45Å
290A97.1Very high96.5Very high56 Ų5698.7 Ų98.746%0.46351%0.505SS..Hα-helixtrans-60.5-44.6178.100000111.9K286 L287 I293 A294K286-A290 VanDerWaalsContact O-CB 3.23Å; K286-A290 WeakPolarHBondContact O-CB 3.39Å; K286-A290 PolarHBondContact O-N 3.5Å; L287-A290 PolarHBondContact O-N 2.97Å; A290-I293 PolarHBondContact O-N 3.46Å; A290-A294 WeakPolarHBondContact O-CB 3.48Å; A290-A294 PolarHBondContact O-N 3.44Å
291L97.3Very high96.6Very high112 Ų11294.2 Ų94.259%0.58649%0.489SS*.Hα-helixtrans-65.2-39.6176.4-73174.7000112.1L287 E289 A294 D295L287-L291 HydrophobicContact CD1-CD1 4.18Å; L287-L291 HydrophobicContact CD1-CG 4.26Å; L287-L291 HydrophobicContact CG-CD1 4.17Å; L287-L291 WeakPolarHBondContact O-CB 3.41Å; L287-L291 WeakPolarHBondContact O-CG 3.33Å; L287-L291 PolarHBondContact O-N 3.03Å; E289-L291 PolarHBondContact O-N 2.91Å; L291-A294 PolarHBondContact O-N 2.95Å; L291-D295 PolarHBondContact O-N 3.01Å
292Y96.4Very high96.7Very high155 Ų15595 Ų9561%0.60850%0.497SS*.Hα-helixtrans-64.2-43.5176.4179.7-103.9000112.4A288 E289 A294 D295 R296A288-Y292 WeakPolarHBondContact O-CB 3.23Å; A288-Y292 PolarHBondContact O-N 3.37Å; E289-Y292 PolarHBondContact O-N 3.25Å; Y292-A294 VanDerWaalsContact C-N 3.34Å; Y292-D295 PolarHBondContact O-N 3.43Å; Y292-R296 PolarHBondContact O-N 3.12Å; Y292-R296 VanDerWaalsContact O-N 3.12Å
293I97.3Very high96.7Very high83 Ų8394.6 Ų94.643%0.42650%0.495SS..Hα-helixtrans-64.2-41.7175.7-68168.5000110.6E289 A290 R296 K297E289-I293 WeakPolarHBondContact O-CG1 3.33Å; E289-I293 PolarHBondContact O-N 3.45Å; A290-I293 PolarHBondContact O-N 3.46Å; I293-R296 PolarHBondContact O-N 3.35Å; I293-K297 HydrophobicContact CG2-CG 4.47Å; I293-K297 WeakPolarHBondContact O-CG 3.42Å; I293-K297 PolarHBondContact O-N 2.94Å
294A97.3Very high96.6Very high56 Ų5696.1 Ų96.146%0.46350%0.501SS..Hα-helixtrans-62.2-44.7177.700000112.2A290 L291 Y292 K297 A298A290-A294 WeakPolarHBondContact O-CB 3.48Å; A290-A294 PolarHBondContact O-N 3.44Å; L291-A294 PolarHBondContact O-N 2.95Å; Y292-A294 VanDerWaalsContact C-N 3.34Å; A294-K297 PolarHBondContact O-N 2.88Å; A294-A298 WeakPolarHBondContact O-CB 3.46Å; A294-A298 PolarHBondContact O-N 3.37Å
295D96.4Very high96.5Very high78 Ų7898.6 Ų98.642%0.41751%0.507SS..Hα-helixtrans-61.2-46.4176.4-176.168.2000111.5L291 Y292 K297 A298 R299L291-D295 PolarHBondContact O-N 3.01Å; Y292-D295 PolarHBondContact O-N 3.43Å; D295-K297 VanDerWaalsContact C-N 3.34Å; D295-K297 PolarHBondContact O-N 3.39Å; D295-A298 PolarHBondContact O-N 2.99Å; D295-R299 WeakPolarHBondContact O-CG 3.38Å; D295-R299 PolarHBondContact O-N 2.75Å; D295-R299 IonicContact OD1-NE 3.41Å; D295-R299 IonicContact OD1-NH2 2.73Å; D295-R299 IonicContact OD2-CZ 2.82Å; D295-R299 IonicContact OD2-NE 2.69Å; D295-R299 PolarHBondContact OD2-NE 3.34Å; D295-R299 IonicContact OD2-NH2 2.66Å
296R96.9Very high96.5Very high112 Ų11298.7 Ų98.742%0.42351%0.507SS..Hα-helixtrans-58.6-46177.5-170.7-178.768.7-161.8-3.7111.6Y292 I293 R299 E300Y292-R296 PolarHBondContact O-N 3.12Å; Y292-R296 VanDerWaalsContact O-N 3.12Å; I293-R296 PolarHBondContact O-N 3.35Å; R296-R299 PolarHBondContact O-N 2.86Å; R296-E300 IonicContact NE-OE1 3.54Å; R296-E300 WeakPolarHBondContact O-CG 3.4Å; R296-E300 PolarHBondContact O-N 3.26Å; R296-E300 VanDerWaalsContact O-N 3.07Å
297K97.7Very high96.4Very high109 Ų10998.5 Ų98.547%0.47451%0.508SS..Hα-helixtrans-68.3-35.8179.1-71.5-62.3176.9-163.60113.1I293 A294 D295 E300 A301I293-K297 HydrophobicContact CG2-CG 4.47Å; I293-K297 WeakPolarHBondContact O-CG 3.42Å; I293-K297 PolarHBondContact O-N 2.94Å; A294-K297 PolarHBondContact O-N 2.88Å; D295-K297 VanDerWaalsContact C-N 3.34Å; D295-K297 PolarHBondContact O-N 3.39Å; K297-E300 WeakPolarHBondContact CD-OE2 3.44Å; K297-E300 IonicContact NZ-OE1 2.71Å; K297-E300 IonicContact NZ-OE2 3.56Å; K297-E300 PolarHBondContact NZ-OE2 3.07Å; K297-A301 WeakPolarHBondContact O-CB 3.37Å; K297-A301 PolarHBondContact O-N 3.35Å
298A96.6Very high96.4Very high53 Ų5398 Ų9844%0.43851%0.509SS..Hα-helixtrans-62.8-43.9173.700000111.4A294 D295 A301 V302A294-A298 WeakPolarHBondContact O-CB 3.46Å; A294-A298 PolarHBondContact O-N 3.37Å; D295-A298 PolarHBondContact O-N 2.99Å; A298-A301 PolarHBondContact O-N 3.03Å; A298-V302 VanDerWaalsContact O-CG2 3.27Å; A298-V302 WeakPolarHBondContact O-CG2 3.38Å; A298-V302 PolarHBondContact O-N 2.92Å
299R96.9Very high96.2Very high166 Ų166101.4 Ų101.463%0.62651%0.514SS*.Hα-helixtrans-62-48.5176.4-70.3174.3-176.8-89.7-4.7112.5D295 R296 A301 V302 E303D295-R299 WeakPolarHBondContact O-CG 3.38Å; D295-R299 PolarHBondContact O-N 2.75Å; D295-R299 IonicContact OD1-NE 3.41Å; D295-R299 IonicContact OD1-NH2 2.73Å; D295-R299 IonicContact OD2-CZ 2.82Å; D295-R299 IonicContact OD2-NE 2.69Å; D295-R299 PolarHBondContact OD2-NE 3.34Å; D295-R299 IonicContact OD2-NH2 2.66Å; R296-R299 PolarHBondContact O-N 2.86Å; R299-A301 VanDerWaalsContact C-N 3.3Å; R299-A301 PolarHBondContact O-N 3.29Å; R299-V302 PolarHBondContact O-N 3.38Å; R299-E303 WeakPolarHBondContact O-CB 3.27Å; R299-E303 PolarHBondContact O-N 2.96Å
300E96.3Very high96Very high76 Ų76103.9 Ų103.936%0.35552%0.518SS..Hα-helixtrans-55.8-44.9175.5-73.6171.3-161.100111.3R296 K297 E303 M304R296-E300 IonicContact NE-OE1 3.54Å; R296-E300 WeakPolarHBondContact O-CG 3.4Å; R296-E300 PolarHBondContact O-N 3.26Å; R296-E300 VanDerWaalsContact O-N 3.07Å; K297-E300 WeakPolarHBondContact CD-OE2 3.44Å; K297-E300 IonicContact NZ-OE1 2.71Å; K297-E300 IonicContact NZ-OE2 3.56Å; K297-E300 PolarHBondContact NZ-OE2 3.07Å; E300-E303 PolarHBondContact O-N 3.24Å; E300-M304 WeakPolarHBondContact O-CG 3.4Å; E300-M304 PolarHBondContact O-N 2.98Å
301A95.4Very high95.9Very high45 Ų45107.9 Ų107.937%0.37253%0.525SS..Hα-helixtrans-67.2-40.2-18000000113.2K297 A298 R299 R305K297-A301 WeakPolarHBondContact O-CB 3.37Å; K297-A301 PolarHBondContact O-N 3.35Å; A298-A301 PolarHBondContact O-N 3.03Å; R299-A301 VanDerWaalsContact C-N 3.3Å; R299-A301 PolarHBondContact O-N 3.29Å; A301-R305 WeakPolarHBondContact O-CB 3.32Å; A301-R305 PolarHBondContact O-N 3.36Å
302V96.6Very high95.6Very high99 Ų99108.1 Ų108.160%0.653%0.525SS*.Hα-helixtrans-66.8-41.9176.5171.80000110.6A298 R299 R305 A306A298-V302 VanDerWaalsContact O-CG2 3.27Å; A298-V302 WeakPolarHBondContact O-CG2 3.38Å; A298-V302 PolarHBondContact O-N 2.92Å; R299-V302 PolarHBondContact O-N 3.38Å; V302-R305 PolarHBondContact O-N 3.08Å; V302-A306 WeakPolarHBondContact O-CB 3.44Å; V302-A306 PolarHBondContact O-N 3.33Å
303E95.8Very high95.5Very high118 Ų118103 Ų10355%0.55151%0.514SS*.Hα-helixtrans-64.1-47.1177.5-172.4177.8177.500111.8R299 E300 R305 A306 Q307R299-E303 WeakPolarHBondContact O-CB 3.27Å; R299-E303 PolarHBondContact O-N 2.96Å; E300-E303 PolarHBondContact O-N 3.24Å; E303-R305 VanDerWaalsContact C-N 3.3Å; E303-R305 PolarHBondContact O-N 3.46Å; E303-A306 PolarHBondContact O-N 2.93Å; E303-Q307 WeakPolarHBondContact O-CG 3.39Å; E303-Q307 PolarHBondContact O-N 3.34Å
304M94.8Very high95.2Very high117 Ų117104.3 Ų104.358%0.57652%0.519SS*.Hα-helixtrans-58.4-42.8175-75.1-169.8-68.600111.8E300 Q307 V308E300-M304 WeakPolarHBondContact O-CG 3.4Å; E300-M304 PolarHBondContact O-N 2.98Å; M304-Q307 PolarHBondContact O-N 3.31Å; M304-V308 WeakPolarHBondContact O-CG2 3.37Å; M304-V308 PolarHBondContact O-N 3.44Å
305R94.4Very high95Very high178 Ų178107.9 Ų107.967%0.67252%0.524SS*.Hα-helixtrans-62-46177-169.5-177.6-57.2-150.10.7111.5A301 V302 E303 Q307 V308 E309A301-R305 WeakPolarHBondContact O-CB 3.32Å; A301-R305 PolarHBondContact O-N 3.36Å; V302-R305 PolarHBondContact O-N 3.08Å; E303-R305 VanDerWaalsContact C-N 3.3Å; E303-R305 PolarHBondContact O-N 3.46Å; R305-Q307 VanDerWaalsContact C-N 3.31Å; R305-Q307 PolarHBondContact O-N 2.96Å; R305-V308 PolarHBondContact O-N 3.39Å; R305-E309 HydrophobicContact CG-CG 4.45Å; R305-E309 WeakPolarHBondContact O-CB 3.39Å; R305-E309 VanDerWaalsContact O-CG 3.31Å; R305-E309 WeakPolarHBondContact O-CG 3.48Å; R305-E309 PolarHBondContact O-N 3.38Å
306A96Very high94.7Very high59 Ų59110.4 Ų110.449%0.48853%0.533SS..Hα-helixtrans-61.4-37.8177.700000112.4V302 E303 R310V302-A306 WeakPolarHBondContact O-CB 3.44Å; V302-A306 PolarHBondContact O-N 3.33Å; E303-A306 PolarHBondContact O-N 2.93Å; A306-R310 VanDerWaalsContact O-CB 3.31Å; A306-R310 WeakPolarHBondContact O-CB 3.42Å; A306-R310 PolarHBondContact O-N 3.04Å
307Q95.5Very high94.5Very high105 Ų105112.1 Ų112.149%0.49154%0.543SS..Hα-helixtrans-67.1-39.9175.2-69.8179.914.100112.6E303 M304 R305 R310 K311E303-Q307 WeakPolarHBondContact O-CG 3.39Å; E303-Q307 PolarHBondContact O-N 3.34Å; M304-Q307 PolarHBondContact O-N 3.31Å; R305-Q307 VanDerWaalsContact C-N 3.31Å; R305-Q307 PolarHBondContact O-N 2.96Å; Q307-R310 PolarHBondContact O-N 3.04Å; Q307-K311 PolarHBondContact O-N 3.02Å
308V95.2Very high94.1Very high90 Ų90112.5 Ų112.555%0.54555%0.547SS..Hα-helixtrans-67.2-48.6177172.80000111.1M304 R305 R310 K311 M312M304-V308 WeakPolarHBondContact O-CG2 3.37Å; M304-V308 PolarHBondContact O-N 3.44Å; R305-V308 PolarHBondContact O-N 3.39Å; V308-R310 VanDerWaalsContact C-N 3.27Å; V308-R310 PolarHBondContact O-N 3.11Å; V308-K311 PolarHBondContact O-N 3.01Å; V308-K311 VanDerWaalsContact O-N 3.1Å; V308-M312 HydrophobicContact CG1-CG 4.36Å; V308-M312 WeakPolarHBondContact O-CG 3.38Å; V308-M312 PolarHBondContact O-N 3.23Å
309E93.5Very high93.8Very high133 Ų133117.1 Ų117.162%0.62156%0.557SS**Hα-helixtrans-52.9-46.1174.2-75-82.6149.500110.9R305 K311 M312 A313R305-E309 HydrophobicContact CG-CG 4.45Å; R305-E309 WeakPolarHBondContact O-CB 3.39Å; R305-E309 VanDerWaalsContact O-CG 3.31Å; R305-E309 WeakPolarHBondContact O-CG 3.48Å; R305-E309 PolarHBondContact O-N 3.38Å; E309-K311 PolarHBondContact O-N 3.43Å; E309-M312 PolarHBondContact O-N 3.04Å; E309-A313 WeakPolarHBondContact O-CB 3.31Å; E309-A313 PolarHBondContact O-N 3.29Å
310R93.5Very high93.4Very high182 Ų182114.8 Ų114.869%0.68755%0.553SS**Hα-helixtrans-63.1-40.9177.3-169.1175.6-176.3164.41.7112.9A306 Q307 V308 Q314A306-R310 VanDerWaalsContact O-CB 3.31Å; A306-R310 WeakPolarHBondContact O-CB 3.42Å; A306-R310 PolarHBondContact O-N 3.04Å; Q307-R310 PolarHBondContact O-N 3.04Å; V308-R310 VanDerWaalsContact C-N 3.27Å; V308-R310 PolarHBondContact O-N 3.11Å; R310-Q314 WeakPolarHBondContact O-CB 3.31Å; R310-Q314 WeakPolarHBondContact O-CG 3.45Å; R310-Q314 PolarHBondContact O-N 3.36Å
311K94.7Very high93Very high139 Ų139117.6 Ų117.660%0.60457%0.566SS**Hα-helixtrans-66.6-39.9175.7-80-176.3178.7177.50112.2Q307 V308 E309 Q314 K315Q307-K311 PolarHBondContact O-N 3.02Å; V308-K311 PolarHBondContact O-N 3.01Å; V308-K311 VanDerWaalsContact O-N 3.1Å; E309-K311 PolarHBondContact O-N 3.43Å; K311-Q314 PolarHBondContact O-N 3.07Å; K311-K315 PolarHBondContact O-N 2.95Å
312M91Very high92.6Very high118 Ų118121 Ų12158%0.58157%0.574SS**Hα-helixtrans-65.8-44.9176.8-68.7-58.9-70.200110.9V308 E309 Q314 K315 E316V308-M312 HydrophobicContact CG1-CG 4.36Å; V308-M312 WeakPolarHBondContact O-CG 3.38Å; V308-M312 PolarHBondContact O-N 3.23Å; E309-M312 PolarHBondContact O-N 3.04Å; M312-Q314 VanDerWaalsContact C-N 3.31Å; M312-Q314 PolarHBondContact O-N 3.48Å; M312-K315 PolarHBondContact O-N 3.41Å; M312-E316 WeakPolarHBondContact O-CB 3.49Å; M312-E316 PolarHBondContact O-N 3.19Å
313A93.5Very high92.3Very high46 Ų46122.8 Ų122.838%0.3857%0.574SS.*Hα-helixtrans-61.6-36.8174.800000112.6E309 K317E309-A313 WeakPolarHBondContact O-CB 3.31Å; E309-A313 PolarHBondContact O-N 3.29Å; A313-K317 WeakPolarHBondContact O-CB 3.49Å; A313-K317 WeakPolarHBondContact O-CG 3.37Å; A313-K317 PolarHBondContact O-N 3.4Å
314Q91.7Very high91.8Very high112 Ų112122.3 Ų122.352%0.52357%0.574SS.*Hα-helixtrans-65.5-47.2173.7-80.8177.5-23.700112.3R310 K311 M312 E316 K317 E318R310-Q314 WeakPolarHBondContact O-CB 3.31Å; R310-Q314 WeakPolarHBondContact O-CG 3.45Å; R310-Q314 PolarHBondContact O-N 3.36Å; K311-Q314 PolarHBondContact O-N 3.07Å; M312-Q314 VanDerWaalsContact C-N 3.31Å; M312-Q314 PolarHBondContact O-N 3.48Å; Q314-E316 VanDerWaalsContact C-N 3.29Å; Q314-E316 PolarHBondContact O-N 3.09Å; Q314-K317 PolarHBondContact O-N 3.5Å; Q314-E318 WeakPolarHBondContact O-CB 3.41Å; Q314-E318 PolarHBondContact O-N 3.1Å
315K93.4Very high91.4Very high131 Ų131125.3 Ų125.357%0.5758%0.58SS**Hα-helixtrans-62.8-36.3176.2-75-175.4176.5-174.50112.5K311 M312 K319K311-K315 PolarHBondContact O-N 2.95Å; M312-K315 PolarHBondContact O-N 3.41Å; K315-K319 WeakPolarHBondContact O-CB 3.41Å; K315-K319 WeakPolarHBondContact O-CG 3.14Å; K315-K319 PolarHBondContact O-N 3.46Å
316E90.4Very high91Very high131 Ų131122.4 Ų122.461%0.61257%0.574SS**Hα-helixtrans-67.4-42176-170173-170.100111.4M312 Q314 K319 H320M312-E316 WeakPolarHBondContact O-CB 3.49Å; M312-E316 PolarHBondContact O-N 3.19Å; Q314-E316 VanDerWaalsContact C-N 3.29Å; Q314-E316 PolarHBondContact O-N 3.09Å; E316-K319 PolarHBondContact O-N 3.5Å; E316-H320 WeakPolarHBondContact O-CB 3.37Å; E316-H320 PolarHBondContact O-N 3.02Å
317K92.4Very high90.3Very high148 Ų148125.4 Ų125.464%0.64358%0.579SS**Hα-helixtrans-60.5-46.1171.8-77.9-172.6177.3-167.80112.4A313 Q314 H320 E321A313-K317 WeakPolarHBondContact O-CB 3.49Å; A313-K317 WeakPolarHBondContact O-CG 3.37Å; A313-K317 PolarHBondContact O-N 3.4Å; Q314-K317 PolarHBondContact O-N 3.5Å; K317-H320 CarbonylContact O-C 3.57Å; K317-H320 WeakPolarHBondContact O-CA 3.48Å; K317-H320 VanDerWaalsContact O-CB 3.32Å; K317-H320 WeakPolarHBondContact O-CB 3.36Å; K317-H320 PolarHBondContact O-N 3.03Å; K317-H320 VanDerWaalsContact O-N 3.1Å; K317-E321 WeakPolarHBondContact O-CG 3.49Å; K317-E321 PolarHBondContact O-N 3.35Å
318E88.9Confident89.7Confident116 Ų116122.7 Ų122.754%0.54258%0.575SS.*Hα-helixtrans-61.6-45.3178.1-173176.9-162.300111.7Q314 H320 E321 E322Q314-E318 WeakPolarHBondContact O-CB 3.41Å; Q314-E318 PolarHBondContact O-N 3.1Å; E318-H320 VanDerWaalsContact C-N 3.27Å; E318-H320 PolarHBondContact O-N 3.22Å; E318-E321 PolarHBondContact O-N 2.98Å; E318-E321 VanDerWaalsContact O-N 3.15Å; E318-E322 PolarHBondContact O-N 2.91Å
319K90.1Very high89.1Confident151 Ų151122.9 Ų122.966%0.65757%0.57SS**Hα-helixtrans-59.3-38.2172-76.8179.3178.7-175.90112.4K315 E316 K323K315-K319 WeakPolarHBondContact O-CB 3.41Å; K315-K319 WeakPolarHBondContact O-CG 3.14Å; K315-K319 PolarHBondContact O-N 3.46Å; E316-K319 PolarHBondContact O-N 3.5Å; K319-K323 VanDerWaalsContact O-CB 3.22Å; K319-K323 WeakPolarHBondContact O-CB 3.5Å; K319-K323 PolarHBondContact O-N 3.33Å
320H88.7Confident88.4Confident117 Ų117122.2 Ų122.254%0.54257%0.565SS.*Hα-helixtrans-65.1-42.3176.2-123.3-75.1000111.3E316 K317 E318 K323 L324E316-H320 WeakPolarHBondContact O-CB 3.37Å; E316-H320 PolarHBondContact O-N 3.02Å; K317-H320 CarbonylContact O-C 3.57Å; K317-H320 WeakPolarHBondContact O-CA 3.48Å; K317-H320 VanDerWaalsContact O-CB 3.32Å; K317-H320 WeakPolarHBondContact O-CB 3.36Å; K317-H320 PolarHBondContact O-N 3.03Å; K317-H320 VanDerWaalsContact O-N 3.1Å; E318-H320 VanDerWaalsContact C-N 3.27Å; E318-H320 PolarHBondContact O-N 3.22Å; H320-K323 PolarHBondContact O-N 2.93Å; H320-L324 WeakPolarHBondContact O-CB 3.5Å; H320-L324 WeakPolarHBondContact O-CD1 3.32Å; H320-L324 WeakPolarHBondContact O-CG 3.33Å; H320-L324 PolarHBondContact O-N 2.89Å
321E88.2Confident87.6Confident135 Ų135115.8 Ų115.863%0.63155%0.55SS**Hα-helixtrans-65.7-43.9176.2-74.3176.7-167.700112.4K317 E318 L324 R325K317-E321 WeakPolarHBondContact O-CG 3.49Å; K317-E321 PolarHBondContact O-N 3.35Å; E318-E321 PolarHBondContact O-N 2.98Å; E318-E321 VanDerWaalsContact O-N 3.15Å; E321-L324 WeakPolarHBondContact O-CB 3.46Å; E321-L324 PolarHBondContact O-N 3.39Å; E321-R325 WeakPolarHBondContact O-CB 3.44Å; E321-R325 PolarHBondContact O-N 3.39Å
322E87.4Confident86.7Confident115 Ų115118.2 Ų118.254%0.53756%0.556SS.*Hα-helixtrans-61.9-45173.4-77-170.7148.600111.7E318 L324 R325 E326E318-E322 PolarHBondContact O-N 2.91Å; E322-L324 VanDerWaalsContact C-N 3.31Å; E322-L324 PolarHBondContact O-N 3.26Å; E322-R325 CarbonylContact O-C 3.57Å; E322-R325 WeakPolarHBondContact O-CA 3.35Å; E322-R325 WeakPolarHBondContact O-CB 3.32Å; E322-R325 PolarHBondContact O-N 2.98Å; E322-R325 VanDerWaalsContact O-N 3.1Å; E322-E326 PolarHBondContact O-N 3.25Å
323K88.7Confident85.7Confident138 Ų138117.6 Ų117.660%0.655%0.552SS**Hα-helixtrans-62.5-39.4177.1-173.6168.4-176.3172.50111.9K319 H320 M327K319-K323 VanDerWaalsContact O-CB 3.22Å; K319-K323 WeakPolarHBondContact O-CB 3.5Å; K319-K323 PolarHBondContact O-N 3.33Å; H320-K323 PolarHBondContact O-N 2.93Å; K323-M327 WeakPolarHBondContact O-CB 3.35Å; K323-M327 PolarHBondContact O-N 3.31Å
324L86.4Confident84.4Confident107 Ų107125.9 Ų125.956%0.5657%0.573SS**Hα-helixtrans-64-41.6172.5-82.7156.5000111.3H320 E321 E322 M327 A328H320-L324 WeakPolarHBondContact O-CB 3.5Å; H320-L324 WeakPolarHBondContact O-CD1 3.32Å; H320-L324 WeakPolarHBondContact O-CG 3.33Å; H320-L324 PolarHBondContact O-N 2.89Å; E321-L324 WeakPolarHBondContact O-CB 3.46Å; E321-L324 PolarHBondContact O-N 3.39Å; E322-L324 VanDerWaalsContact C-N 3.31Å; E322-L324 PolarHBondContact O-N 3.26Å; L324-M327 PolarHBondContact O-N 3.01Å; L324-A328 WeakPolarHBondContact O-CB 3.49Å; L324-A328 PolarHBondContact O-N 2.88Å
325R86.5Confident83Confident181 Ų181131.4 Ų131.468%0.68359%0.589SS**Hα-helixtrans-64.7-45.8176.8179.3-176145.1175.7-6.8112.1E321 E322 M327 A328 Q329E321-R325 WeakPolarHBondContact O-CB 3.44Å; E321-R325 PolarHBondContact O-N 3.39Å; E322-R325 CarbonylContact O-C 3.57Å; E322-R325 WeakPolarHBondContact O-CA 3.35Å; E322-R325 WeakPolarHBondContact O-CB 3.32Å; E322-R325 PolarHBondContact O-N 2.98Å; E322-R325 VanDerWaalsContact O-N 3.1Å; R325-M327 VanDerWaalsContact C-N 3.33Å; R325-M327 PolarHBondContact O-N 2.97Å; R325-A328 PolarHBondContact O-N 3.46Å; R325-Q329 WeakPolarHBondContact O-CB 3.46Å; R325-Q329 PolarHBondContact O-N 2.9Å
326E84.6Confident81.4Confident117 Ų117128.2 Ų128.255%0.54759%0.587SS.*Hα-helixtrans-61.3-42.5174.6-77.1-169.7174.100111.6E322 A328 Q329 K330E322-E326 PolarHBondContact O-N 3.25Å; E326-A328 VanDerWaalsContact C-N 3.32Å; E326-A328 PolarHBondContact O-N 2.94Å; E326-Q329 PolarHBondContact O-N 3.07Å; E326-K330 WeakPolarHBondContact O-CB 3.4Å; E326-K330 WeakPolarHBondContact O-CG 3.22Å; E326-K330 PolarHBondContact O-N 2.85Å
327M82.1Confident79.5Confident121 Ų121125 Ų12560%0.59659%0.59SS**Hα-helixtrans-64.1-40.3177.4-166.3179.7-65.200111.1K323 L324 R325 A331K323-M327 WeakPolarHBondContact O-CB 3.35Å; K323-M327 PolarHBondContact O-N 3.31Å; L324-M327 PolarHBondContact O-N 3.01Å; R325-M327 VanDerWaalsContact C-N 3.33Å; R325-M327 PolarHBondContact O-N 2.97Å; M327-A331 VanDerWaalsContact O-CB 3.31Å; M327-A331 WeakPolarHBondContact O-CB 3.35Å; M327-A331 PolarHBondContact O-N 3.41Å
328A83.5Confident77.3Confident49 Ų49124.3 Ų124.341%0.40559%0.591SS.*Hα-helixtrans-65.6-39173.800000112.2L324 R325 E326 A331 R332L324-A328 WeakPolarHBondContact O-CB 3.49Å; L324-A328 PolarHBondContact O-N 2.88Å; R325-A328 PolarHBondContact O-N 3.46Å; E326-A328 VanDerWaalsContact C-N 3.32Å; E326-A328 PolarHBondContact O-N 2.94Å; A328-A331 PolarHBondContact O-N 3.46Å; A328-R332 WeakPolarHBondContact O-CB 3.33Å; A328-R332 WeakPolarHBondContact O-CG 3.44Å; A328-R332 PolarHBondContact O-N 3.37Å
329Q81.6Confident75.1Confident94 Ų94128.6 Ų128.644%0.43961%0.608SS.*Hα-helixtrans-68.3-46176.7-172.7170.2-14.100111.5R325 E326 A331 R332 E333R325-Q329 WeakPolarHBondContact O-CB 3.46Å; R325-Q329 PolarHBondContact O-N 2.9Å; E326-Q329 PolarHBondContact O-N 3.07Å; Q329-A331 VanDerWaalsContact C-N 3.27Å; Q329-A331 PolarHBondContact O-N 2.84Å; Q329-R332 CarbonylContact O-C 3.53Å; Q329-R332 WeakPolarHBondContact O-CA 3.33Å; Q329-R332 WeakPolarHBondContact O-CB 3.33Å; Q329-R332 PolarHBondContact O-N 3.08Å; Q329-E333 PolarHBondContact NE2-OE1 2.73Å; Q329-E333 VanDerWaalsContact NE2-OE1 3.16Å; Q329-E333 PolarHBondContact O-N 3.24Å
330K78.6Confident72.9Confident119 Ų119127.4 Ų127.452%0.51761%0.614SS.*Hα-helixtrans-57.5-39.8171.7-77.6175.9177.6166.40111.6E326 R334E326-K330 WeakPolarHBondContact O-CB 3.4Å; E326-K330 WeakPolarHBondContact O-CG 3.22Å; E326-K330 PolarHBondContact O-N 2.85Å; K330-R334 WeakPolarHBondContact O-CB 3.43Å; K330-R334 VanDerWaalsContact O-CG 3.22Å; K330-R334 WeakPolarHBondContact O-CG 3.49Å; K330-R334 PolarHBondContact O-N 3.35Å
331A78.4Confident70.5Confident47 Ų47129.3 Ų129.339%0.38862%0.622SS.*Hα-helixtrans-67.6-35.9174.800000112.6M327 A328 Q329 R335M327-A331 VanDerWaalsContact O-CB 3.31Å; M327-A331 WeakPolarHBondContact O-CB 3.35Å; M327-A331 PolarHBondContact O-N 3.41Å; A328-A331 PolarHBondContact O-N 3.46Å; Q329-A331 VanDerWaalsContact C-N 3.27Å; Q329-A331 PolarHBondContact O-N 2.84Å; A331-R335 WeakPolarHBondContact O-CG 3.46Å; A331-R335 PolarHBondContact O-N 2.83Å
332R75.4Confident68.2Low189 Ų189129 Ų12971%0.71363%0.63SS**Hα-helixtrans-70.5-44.4174.7-77.3178.7-177.5-169.81.1112.4A328 Q329 R334 R335 A336A328-R332 WeakPolarHBondContact O-CB 3.33Å; A328-R332 WeakPolarHBondContact O-CG 3.44Å; A328-R332 PolarHBondContact O-N 3.37Å; Q329-R332 CarbonylContact O-C 3.53Å; Q329-R332 WeakPolarHBondContact O-CA 3.33Å; Q329-R332 WeakPolarHBondContact O-CB 3.33Å; Q329-R332 PolarHBondContact O-N 3.08Å; R332-R334 VanDerWaalsContact C-N 3.33Å; R332-R334 PolarHBondContact O-N 3.1Å; R332-R335 CarbonylContact O-C 3.56Å; R332-R335 WeakPolarHBondContact O-CA 3.47Å; R332-R335 WeakPolarHBondContact O-CB 3.46Å; R332-R335 PolarHBondContact O-N 3.34Å; R332-A336 WeakPolarHBondContact O-CB 3.45Å; R332-A336 PolarHBondContact O-N 3.15Å
333E69.6Low66Low106 Ų106130.8 Ų130.850%0.49564%0.638SS.*Hα-helixtrans-62.1-41.4176.6-76.5170.3-171.200111.2Q329 R335 A336 G337Q329-E333 PolarHBondContact NE2-OE1 2.73Å; Q329-E333 VanDerWaalsContact NE2-OE1 3.16Å; Q329-E333 PolarHBondContact O-N 3.24Å; E333-R335 VanDerWaalsContact C-N 3.27Å; E333-R335 PolarHBondContact O-N 2.88Å; E333-A336 PolarHBondContact O-N 2.91Å; E333-G337 PolarHBondContact O-N 3.46Å
334R65.2Low63.6Low219 Ų219133.5 Ų133.583%0.82665%0.65SS**Hα-helixtrans-60.7-33.1171.3-74.8176.2179.7-180-1.7113K330 R332K330-R334 WeakPolarHBondContact O-CB 3.43Å; K330-R334 VanDerWaalsContact O-CG 3.22Å; K330-R334 WeakPolarHBondContact O-CG 3.49Å; K330-R334 PolarHBondContact O-N 3.35Å; R332-R334 VanDerWaalsContact C-N 3.33Å; R332-R334 PolarHBondContact O-N 3.1Å
335R63.5Low61.4Low228 Ų228136.7 Ų136.786%0.8666%0.662SS**Hα-helixtrans-79.7-32.9174.8-75.7-179.3-173.1-1752.4113.4A331 R332 E333 G337A331-R335 WeakPolarHBondContact O-CG 3.46Å; A331-R335 PolarHBondContact O-N 2.83Å; R332-R335 CarbonylContact O-C 3.56Å; R332-R335 WeakPolarHBondContact O-CA 3.47Å; R332-R335 WeakPolarHBondContact O-CB 3.46Å; R332-R335 PolarHBondContact O-N 3.34Å; E333-R335 VanDerWaalsContact C-N 3.27Å; E333-R335 PolarHBondContact O-N 2.88Å; R335-G337 VanDerWaalsContact C-N 3.28Å; R335-G337 PolarHBondContact O-N 3.41Å
336A59.8Low59.7Low64 Ų64135.6 Ų135.653%0.52967%0.669SS.*Hα-helixtrans-79-7.3-176.100000113.7R332 E333 I338R332-A336 WeakPolarHBondContact O-CB 3.45Å; R332-A336 PolarHBondContact O-N 3.15Å; E333-A336 PolarHBondContact O-N 2.91Å; A336-I338 HydrophobicContact CB-CD1 4.44Å; A336-I338 HydrophobicContact CB-CG1 4.5Å; A336-I338 PolarHBondContact O-N 2.95Å
337G50.3Low58.3Low65 Ų65131.7 Ų131.767%0.6766%0.661SS**THydrogen-bonded Turntrans68.216.1170.600000115.3E333 R335 K339E333-G337 PolarHBondContact O-N 3.46Å; R335-G337 VanDerWaalsContact C-N 3.28Å; R335-G337 PolarHBondContact O-N 3.41Å; G337-K339 PolarHBondContact O-N 3.48Å
338I46Very low56.9Low132 Ų132131.3 Ų131.368%0.67766%0.658SS**  trans-87.195.7-177.9-59.7172.1000109.3A336 T340A336-I338 HydrophobicContact CB-CD1 4.44Å; A336-I338 HydrophobicContact CB-CG1 4.5Å; A336-I338 PolarHBondContact O-N 2.95Å; I338-T340 HydrophobicContact CG2-CG2 4.14Å; I338-T340 PolarHBondContact O-N 2.98Å
339K42.3Very low56Low207 Ų207132.3 Ų132.390%0.967%0.666SS**  trans-76.5100.8165.4-101.7176.8167.8-175.70109.1G337G337-K339 PolarHBondContact O-N 3.48Å
340T44.6Very low55.1Low126 Ų126137 Ų13777%0.77368%0.679SS**  trans-90.7106.4159.3510000109I338 V342I338-T340 HydrophobicContact CG2-CG2 4.14Å; I338-T340 PolarHBondContact O-N 2.98Å; T340-V342 PolarHBondContact O-N 3.1Å
341H37.5Very low54.3Low156 Ų156137.1 Ų137.172%0.72268%0.682SS**  trans-75.2105.6177.2175.9-68.3000110.5
342V41.3Very low53.6Low130 Ų130141.9 Ų141.979%0.78869%0.69SS**  trans-14497.1157.2-173.20000109.3T340T340-V342 PolarHBondContact O-N 3.1Å
343E39.8Very low53.4Low152 Ų152137.1 Ų137.171%0.7168%0.679SS**  trans13.7105.7144.5-64.1172.7177.200118.3
344K39.4Very low53.5Low195 Ų195137.8 Ų137.885%0.84868%0.682SS**  trans-138.5105.4135.7-91.2-171.3-179.9176.40108.8D346K344-D346 VanDerWaalsContact C-N 3.32Å; K344-D346 PolarHBondContact O-N 2.97Å
345E40.3Very low53.6Low174 Ų174131.5 Ų131.581%0.81366%0.664SS**THydrogen-bonded Turntrans-79.125.8-151.4-144.1175.9176.400116.7
346D49.5Very low54.2Low157 Ų157127.5 Ų127.584%0.8465%0.648SS**THydrogen-bonded Turntrans-137.92.3-177.9-83.2-41.6000114.9K344K344-D346 VanDerWaalsContact C-N 3.32Å; K344-D346 PolarHBondContact O-N 2.97Å
347G54.7Low55.1Low36 Ų36129.4 Ų129.437%0.37165%0.646SS.*SBendtrans-97-19.4176.900000114.6A349 R350 E351G347-A349 VanDerWaalsContact C-N 3.33Å; G347-A349 PolarHBondContact O-N 3.28Å; G347-R350 PolarHBondContact O-N 2.83Å; G347-R350 VanDerWaalsContact O-N 3.17Å; G347-E351 PolarHBondContact O-N 3.39Å
348E54.5Low56.3Low113 Ų113130.9 Ų130.953%0.52864%0.639SS.*Hα-helixtrans-69.6-26.4-167.7-65.2-167.2167.300113.9R352E348-R352 WeakPolarHBondContact O-CB 3.29Å; E348-R352 PolarHBondContact O-N 3.49Å
349A62.9Low57.6Low70 Ų70131.6 Ų131.658%0.57963%0.633SS**Hα-helixtrans-70.3-38.7174.800000111.7G347 R352 D353G347-A349 VanDerWaalsContact C-N 3.33Å; G347-A349 PolarHBondContact O-N 3.28Å; A349-R352 PolarHBondContact O-N 3.41Å; A349-D353 PolarHBondContact O-N 3.16Å; A349-D353 VanDerWaalsContact O-N 3.15Å
350R63.9Low59.4Low191 Ų191130.2 Ų130.272%0.72162%0.622SS**Hα-helixtrans-71.1-42.8176.5-75.1-177.5179.5142.30.9111.5G347 R352 D353 E354G347-R350 PolarHBondContact O-N 2.83Å; G347-R350 VanDerWaalsContact O-N 3.17Å; R350-R352 VanDerWaalsContact C-N 3.29Å; R350-R352 PolarHBondContact O-N 3.1Å; R350-D353 PolarHBondContact O-N 2.88Å; R350-E354 WeakPolarHBondContact O-CB 3.44Å; R350-E354 WeakPolarHBondContact O-CG 3.47Å; R350-E354 PolarHBondContact O-N 2.96Å
351E60.6Low61Low122 Ų122130.3 Ų130.357%0.5761%0.612SS**Hα-helixtrans-61.9-36.4173.7-78.2-169.9151.700111.9G347 I355G347-E351 PolarHBondContact O-N 3.39Å; E351-I355 VanDerWaalsContact O-CB 3.27Å; E351-I355 WeakPolarHBondContact O-CB 3.48Å; E351-I355 VanDerWaalsContact O-CD1 3.32Å; E351-I355 WeakPolarHBondContact O-CD1 3.31Å; E351-I355 WeakPolarHBondContact O-CG1 3.49Å; E351-I355 PolarHBondContact O-N 3.25Å
352R65Low62.6Low148 Ų148129.3 Ų129.356%0.55861%0.607SS**Hα-helixtrans-68.7-33.8177.3-136.7177.8-68.7168.6-3.7112.9E348 A349 R350 R356E348-R352 WeakPolarHBondContact O-CB 3.29Å; E348-R352 PolarHBondContact O-N 3.49Å; A349-R352 PolarHBondContact O-N 3.41Å; R350-R352 VanDerWaalsContact C-N 3.29Å; R350-R352 PolarHBondContact O-N 3.1Å; R352-R356 WeakPolarHBondContact O-CB 3.37Å; R352-R356 PolarHBondContact O-N 2.87Å; R352-R356 VanDerWaalsContact O-N 3.15Å
353D69.9Low64.1Low88 Ų88130.3 Ų130.347%0.47160%0.597SS.*Hα-helixtrans-77-39.4175.8-81-3.9000111.8A349 R350 R356 H357A349-D353 PolarHBondContact O-N 3.16Å; A349-D353 VanDerWaalsContact O-N 3.15Å; R350-D353 PolarHBondContact O-N 2.88Å; D353-R356 PolarHBondContact O-N 3.38Å; D353-R356 IonicContact OD1-CZ 3.82Å; D353-R356 IonicContact OD1-NH1 3.6Å; D353-R356 PolarHBondContact OD1-NH1 3.01Å; D353-R356 IonicContact OD1-NH2 2.68Å; D353-R356 PolarHBondContact OD1-NH2 3.34Å; D353-H357 WeakPolarHBondContact O-CB 3.46Å; D353-H357 PolarHBondContact O-N 2.8Å
354E72.8Confident65.8Low120 Ų120128.6 Ų128.656%0.56159%0.589SS**Hα-helixtrans-62.4-44.9171.6-76177.9178.500111.2R350 R356 H357 D358R350-E354 WeakPolarHBondContact O-CB 3.44Å; R350-E354 WeakPolarHBondContact O-CG 3.47Å; R350-E354 PolarHBondContact O-N 2.96Å; E354-R356 VanDerWaalsContact C-N 3.29Å; E354-R356 PolarHBondContact O-N 3.49Å; E354-H357 PolarHBondContact O-N 3.29Å; E354-H357 VanDerWaalsContact O-N 3.16Å; E354-D358 WeakPolarHBondContact O-CB 3.37Å; E354-D358 PolarHBondContact O-N 2.79Å
355I67.8Low67.3Low87 Ų87125.2 Ų125.245%0.44658%0.576SS.*Hα-helixtrans-62.3-36.6174.4-71164.4000111.2E351 R359E351-I355 VanDerWaalsContact O-CB 3.27Å; E351-I355 WeakPolarHBondContact O-CB 3.48Å; E351-I355 VanDerWaalsContact O-CD1 3.32Å; E351-I355 WeakPolarHBondContact O-CD1 3.31Å; E351-I355 WeakPolarHBondContact O-CG1 3.49Å; E351-I355 PolarHBondContact O-N 3.25Å; I355-R359 VanDerWaalsContact CG2-NH2 3.33Å; I355-R359 WeakPolarHBondContact O-CB 3.22Å; I355-R359 PolarHBondContact O-N 3.26Å
356R75.9Confident68.5Low144 Ų144120.4 Ų120.454%0.54356%0.556SS.*Hα-helixtrans-69.5-38.9175.3-104.7-176.5-86.3118.39.7111.6R352 D353 E354 R360R352-R356 WeakPolarHBondContact O-CB 3.37Å; R352-R356 PolarHBondContact O-N 2.87Å; R352-R356 VanDerWaalsContact O-N 3.15Å; D353-R356 PolarHBondContact O-N 3.38Å; D353-R356 IonicContact OD1-CZ 3.82Å; D353-R356 IonicContact OD1-NH1 3.6Å; D353-R356 PolarHBondContact OD1-NH1 3.01Å; D353-R356 IonicContact OD1-NH2 2.68Å; D353-R356 PolarHBondContact OD1-NH2 3.34Å; E354-R356 VanDerWaalsContact C-N 3.29Å; E354-R356 PolarHBondContact O-N 3.49Å; R356-R360 WeakPolarHBondContact O-CB 3Å; R356-R360 PolarHBondContact O-N 2.93Å
357H77.5Confident69.5Low104 Ų104120.6 Ų120.648%0.48155%0.545SS..Hα-helixtrans-69.2-44.2177.8-171.1-68.9000111.7D353 E354 R360 K361D353-H357 WeakPolarHBondContact O-CB 3.46Å; D353-H357 PolarHBondContact O-N 2.8Å; E354-H357 PolarHBondContact O-N 3.29Å; E354-H357 VanDerWaalsContact O-N 3.16Å; H357-R360 WeakPolarHBondContact O-CB 3.3Å; H357-R360 PolarHBondContact O-N 3.24Å; H357-R360 VanDerWaalsContact O-N 3.12Å; H357-K361 PolarHBondContact O-N 3.27Å
358D75.3Confident70.3Confident97 Ų97124 Ų12452%0.51955%0.554SS.*Hα-helixtrans-66.8-42.8177.7-77.8-10.8000111.6E354 R360 K361 E362E354-D358 WeakPolarHBondContact O-CB 3.37Å; E354-D358 PolarHBondContact O-N 2.79Å; D358-R360 PolarHBondContact O-N 3.04Å; D358-K361 PolarHBondContact O-N 3.33Å; D358-E362 VanDerWaalsContact O-CB 3.28Å; D358-E362 WeakPolarHBondContact O-CB 3.25Å; D358-E362 PolarHBondContact O-N 3.07Å
359R74.6Confident70.6Confident147 Ų147122.9 Ų122.956%0.55555%0.552SS**Hα-helixtrans-63.9-23172.2-118.5-175.5-70.6-173.6-6.7113.3I355 R363I355-R359 VanDerWaalsContact CG2-NH2 3.33Å; I355-R359 WeakPolarHBondContact O-CB 3.22Å; I355-R359 PolarHBondContact O-N 3.26Å; R359-R363 WeakPolarHBondContact O-CB 3.34Å; R359-R363 WeakPolarHBondContact O-CG 3.36Å; R359-R363 PolarHBondContact O-N 3.48Å; R359-R363 PolarHBondContact O-NE 2.82Å
360R79.7Confident70.6Confident178 Ų178122.1 Ų122.167%0.67254%0.542SS*.Hα-helixtrans-78.7-45.7174.2-170.2-179.5-175.7170.61.3110.2R356 H357 D358 R363 Q364R356-R360 WeakPolarHBondContact O-CB 3Å; R356-R360 PolarHBondContact O-N 2.93Å; H357-R360 WeakPolarHBondContact O-CB 3.3Å; H357-R360 PolarHBondContact O-N 3.24Å; H357-R360 VanDerWaalsContact O-N 3.12Å; D358-R360 PolarHBondContact O-N 3.04Å; R360-R363 PolarHBondContact O-N 3.27Å; R360-Q364 WeakPolarHBondContact O-CB 3.31Å; R360-Q364 PolarHBondContact O-N 2.86Å
361K77.8Confident70.5Confident128 Ų128122.9 Ų122.956%0.55755%0.545SS*.Hα-helixtrans-61.8-44.5174.2-99.8-176.6171174.70112.2H357 D358 Q364 H365H357-K361 PolarHBondContact O-N 3.27Å; D358-K361 PolarHBondContact O-N 3.33Å; K361-Q364 CarbonylContact O-C 3.6Å; K361-Q364 WeakPolarHBondContact O-CA 3.45Å; K361-Q364 WeakPolarHBondContact O-CB 3.34Å; K361-Q364 PolarHBondContact O-N 3.24Å; K361-Q364 VanDerWaalsContact O-N 3.11Å; K361-H365 WeakPolarHBondContact O-CB 3.45Å; K361-H365 PolarHBondContact O-N 3.12Å
362E70.3Confident70.6Confident134 Ų134120.9 Ų120.963%0.62655%0.55SS*.Hα-helixtrans-64.6-44.3177.4-171.9178.3-155.500111D358 Q364 H365 D366D358-E362 VanDerWaalsContact O-CB 3.28Å; D358-E362 WeakPolarHBondContact O-CB 3.25Å; D358-E362 PolarHBondContact O-N 3.07Å; E362-Q364 PolarHBondContact O-N 3.44Å; E362-H365 PolarHBondContact O-N 3.09Å; E362-D366 WeakPolarHBondContact O-CB 3.41Å; E362-D366 PolarHBondContact O-N 3.05Å
363R74.7Confident70.4Confident152 Ų152116 Ų11657%0.57454%0.541SS*.Hα-helixtrans-63.6-28.6170.9-86.4-179.2-69.4153.8-3.3113.2R359 R360 R367R359-R363 WeakPolarHBondContact O-CB 3.34Å; R359-R363 WeakPolarHBondContact O-CG 3.36Å; R359-R363 PolarHBondContact O-N 3.48Å; R359-R363 PolarHBondContact O-NE 2.82Å; R360-R363 PolarHBondContact O-N 3.27Å; R363-R367 WeakPolarHBondContact O-CB 3.47Å; R363-R367 PolarHBondContact O-N 3.35Å
364Q74Confident69.9Low116 Ų116116.9 Ų116.954%0.54255%0.551SS.*Hα-helixtrans-73.9-45.8174.8-125.8172.4-12.400111.2R360 K361 E362 R367 N368R360-Q364 WeakPolarHBondContact O-CB 3.31Å; R360-Q364 PolarHBondContact O-N 2.86Å; K361-Q364 CarbonylContact O-C 3.6Å; K361-Q364 WeakPolarHBondContact O-CA 3.45Å; K361-Q364 WeakPolarHBondContact O-CB 3.34Å; K361-Q364 PolarHBondContact O-N 3.24Å; K361-Q364 VanDerWaalsContact O-N 3.11Å; E362-Q364 PolarHBondContact O-N 3.44Å; Q364-R367 PolarHBondContact O-N 3.33Å; Q364-N368 WeakPolarHBondContact O-CB 3.32Å; Q364-N368 VanDerWaalsContact O-CG 3.26Å; Q364-N368 PolarHBondContact O-N 3.26Å
365H71.6Confident69.2Low123 Ų123118.4 Ų118.457%0.56956%0.563SS**Hα-helixtrans-62.3-45.4175.1-177-87.3000110.8K361 E362 N368 L369K361-H365 WeakPolarHBondContact O-CB 3.45Å; K361-H365 PolarHBondContact O-N 3.12Å; E362-H365 PolarHBondContact O-N 3.09Å; H365-N368 PolarHBondContact O-N 3.47Å; H365-L369 VanDerWaalsContact O-CB 3.27Å; H365-L369 WeakPolarHBondContact O-CB 3.32Å; H365-L369 PolarHBondContact O-N 2.79Å
366D66.2Low68.8Low73 Ų73121.8 Ų121.839%0.3958%0.575SS.*Hα-helixtrans-70.7-33.6179.3-158.239.7000111.7E362 L369 S370 R377E362-D366 WeakPolarHBondContact O-CB 3.41Å; E362-D366 PolarHBondContact O-N 3.05Å; D366-L369 PolarHBondContact O-N 3.19Å; D366-S370 WeakPolarHBondContact O-CB 3.45Å; D366-S370 PolarHBondContact O-N 3.37Å; D366-S370 PolarHBondContact O-OG 3.47Å; D366-R377 IonicContact OD1-CZ 3.47Å; D366-R377 IonicContact OD1-NH2 2.68Å; D366-R377 PolarHBondContact OD1-NH2 3.07Å
367R69.7Low67.6Low161 Ų161121 Ų12161%0.60857%0.572SS**Hα-helixtrans-69.2-33.7171-168.3-176.9-65.6-153.3-2.6112.3R363 Q364 R371R363-R367 WeakPolarHBondContact O-CB 3.47Å; R363-R367 PolarHBondContact O-N 3.35Å; Q364-R367 PolarHBondContact O-N 3.33Å; R367-R371 WeakPolarHBondContact O-CB 3.38Å; R367-R371 WeakPolarHBondContact O-CG 3.42Å; R367-R371 PolarHBondContact O-N 3.04Å
368N72.2Confident66.6Low107 Ų107120.3 Ų120.357%0.57258%0.579SS**Hα-helixtrans-72.2-43.3173.2-75.2-4.4000111.4Q364 H365 R371 A372Q364-N368 WeakPolarHBondContact O-CB 3.32Å; Q364-N368 VanDerWaalsContact O-CG 3.26Å; Q364-N368 PolarHBondContact O-N 3.26Å; H365-N368 PolarHBondContact O-N 3.47Å; N368-R371 PolarHBondContact O-N 3.03Å; N368-A372 WeakPolarHBondContact O-CB 3.39Å; N368-A372 PolarHBondContact O-N 3.36Å
369L60.7Low65.7Low91 Ų91124.5 Ų124.548%0.47659%0.592SS.*Hα-helixtrans-69.2-34.2178.5-154.373.7000111.8H365 D366 R371H365-L369 VanDerWaalsContact O-CB 3.27Å; H365-L369 WeakPolarHBondContact O-CB 3.32Å; H365-L369 PolarHBondContact O-N 2.79Å; D366-L369 PolarHBondContact O-N 3.19Å; L369-R371 VanDerWaalsContact C-N 3.35Å
370S61.6Low64.7Low54 Ų54123.8 Ų123.838%0.37860%0.599SS.*Hα-helixtrans-75.3-21.4174.6-55.20000113.3D366 R377D366-S370 WeakPolarHBondContact O-CB 3.45Å; D366-S370 PolarHBondContact O-N 3.37Å; D366-S370 PolarHBondContact O-OG 3.47Å; S370-R377 PolarHBondContact OG-NH1 2.94Å
371R62.3Low63.7Low207 Ų207122.4 Ų122.478%0.78160%0.6SS**Hα-helixtrans-89.3-20.6174.3-84.5-179.6164.5-171.2-6.3113.5R367 N368 L369R367-R371 WeakPolarHBondContact O-CB 3.38Å; R367-R371 WeakPolarHBondContact O-CG 3.42Å; R367-R371 PolarHBondContact O-N 3.04Å; N368-R371 PolarHBondContact O-N 3.03Å; L369-R371 VanDerWaalsContact C-N 3.35Å
372A63.2Low62.8Low80 Ų80125.5 Ų125.566%0.66161%0.608SS**Hα-helixtrans-81.9-24.7-170.500000115.1N368N368-A372 WeakPolarHBondContact O-CB 3.39Å; N368-A372 PolarHBondContact O-N 3.36Å
373A59.7Low62.3Low46 Ų46124 Ų12438%0.3860%0.604SS.*  trans-177.5107.9170.200000111.2D375A373-D375 PolarHBondContact O-N 3.43Å
374P60Low61.7Low106 Ų106124.3 Ų124.369%0.68861%0.612SS**THydrogen-bonded Turntrans-64.9-18.8178.4-17.629.4000114.6
375D59.2Low61.1Low152 Ų152125.4 Ų125.481%0.81362%0.622SS**THydrogen-bonded Turntrans-97.40.4-162.8-61.5-32.1000116A373A373-D375 PolarHBondContact O-N 3.43Å
376K58.3Low60.7Low158 Ų158124.8 Ų124.869%0.68761%0.614SS**SBendtrans-115.62.6-170.8-62-169.1-179.1-176.20115.9
377R51.9Low60.6Low127 Ų127126.4 Ų126.448%0.47962%0.623SS.*THydrogen-bonded Turntrans-77.8-20.6-166.7-109.4177.1157.9173.6-4.5116.8D366 S370D366-R377 IonicContact OD1-CZ 3.47Å; D366-R377 IonicContact OD1-NH2 2.68Å; D366-R377 PolarHBondContact OD1-NH2 3.07Å; S370-R377 PolarHBondContact OG-NH1 2.94Å
378S54.9Low60.3Low89 Ų89125.4 Ų125.462%0.62263%0.629SS**THydrogen-bonded Turntrans-98.9-20.4-167.1-172.60000115.4
379K56.6Low60.3Low186 Ų186124.2 Ų124.281%0.80963%0.629SS**THydrogen-bonded Turntrans-94.1-21.2-176.3-89.2-179.5175.7176.20115.2
380L54.9Low60.6Low132 Ų132124.5 Ų124.569%0.69163%0.628SS**SBendtrans-84.7-35.2-174.3-87152.3000113.6R382L380-R382 VanDerWaalsContact C-N 3.34Å; L380-R382 PolarHBondContact O-N 3.05Å
381Q57.6Low60.8Low148 Ų148124.6 Ų124.669%0.69263%0.626SS**THydrogen-bonded Turntrans-72.8-17.8-179.1-94.7-179-14.100115.1
382R59.4Low60.9Low193 Ų193121 Ų12173%0.72862%0.621SS**THydrogen-bonded Turntrans-86.1-23.3179.1-88.9-174.8-160.7150.37.4114.6L380L380-R382 VanDerWaalsContact C-N 3.34Å; L380-R382 PolarHBondContact O-N 3.05Å
383N59.8Low61.1Low102 Ų102121.5 Ų121.555%0.54562%0.624SS.*THydrogen-bonded Turntrans-89.9-19.6-179.8-78.5-13.9000112.6N385 R386N383-N385 VanDerWaalsContact C-N 3.27Å; N383-N385 PolarHBondContact O-N 3.06Å; N383-R386 PolarHBondContact OD1-NH1 3.45Å
384E62.6Low61.2Low159 Ų159124.3 Ų124.374%0.74363%0.633SS**THydrogen-bonded Turntrans-72.5-20-179.6-160.2173-178.700113.2
385N60Low61.5Low140 Ų140122.3 Ų122.375%0.74963%0.631SS**THydrogen-bonded Turntrans-104.814.6-179.3-65.8-32.2000114.1N383N383-N385 VanDerWaalsContact C-N 3.27Å; N383-N385 PolarHBondContact O-N 3.06Å
386R64.6Low61.7Low109 Ų109118.5 Ų118.541%0.41161%0.613SS.*  trans-89.3122.7175.3-82.9179.7170.4152.2-9.1110.3N383 V391N383-R386 PolarHBondContact OD1-NH1 3.45Å; R386-V391 HydrophobicContact CB-CG2 3.97Å
387D64.2Low61.8Low108 Ų108116.5 Ų116.558%0.57862%0.616SS**  trans-60144174.9-80-28.5000110.9S389 E390 V391D387-S389 PolarHBondContact O-N 3.28Å; D387-S389 VanDerWaalsContact O-N 3.12Å; D387-E390 HydrophobicContact CB-CG 4.3Å; D387-E390 WeakPolarHBondContact O-CA 3.22Å; D387-E390 WeakPolarHBondContact O-CB 3.38Å; D387-E390 PolarHBondContact O-N 2.97Å; D387-V391 PolarHBondContact O-N 2.89Å; D387-V391 VanDerWaalsContact O-N 3.09Å
388I63.2Low62.3Low140 Ų140116.9 Ų116.972%0.71863%0.628SS**Hα-helixtrans-58.5-29.9-175.9-60.5162.7000111.2I392I388-I392 HydrophobicContact CG2-CD1 4.27Å; I388-I392 WeakPolarHBondContact O-CD1 3.27Å; I388-I392 VanDerWaalsContact O-CG1 3.29Å; I388-I392 WeakPolarHBondContact O-CG1 3.09Å; I388-I392 PolarHBondContact O-N 3.05Å
389S71.4Confident62.7Low82 Ų82117.1 Ų117.157%0.57363%0.627SS**Hα-helixtrans-67.7-37172.449.70000113.3D387 I392 A393D387-S389 PolarHBondContact O-N 3.28Å; D387-S389 VanDerWaalsContact O-N 3.12Å; S389-I392 PolarHBondContact O-N 3.27Å; S389-A393 WeakPolarHBondContact O-CB 3.32Å; S389-A393 PolarHBondContact O-N 2.99Å; S389-A393 VanDerWaalsContact O-N 3.07Å
390E68.1Low62.8Low97 Ų97120 Ų12045%0.45363%0.633SS.*Hα-helixtrans-74.1-32.3177.3-64.8-168.1165.700112.1D387 I392 A393 L394D387-E390 HydrophobicContact CB-CG 4.3Å; D387-E390 WeakPolarHBondContact O-CA 3.22Å; D387-E390 WeakPolarHBondContact O-CB 3.38Å; D387-E390 PolarHBondContact O-N 2.97Å; E390-I392 VanDerWaalsContact C-N 3.33Å; E390-A393 PolarHBondContact O-N 3.04Å; E390-L394 VanDerWaalsContact O-CB 3.32Å; E390-L394 WeakPolarHBondContact O-CB 3.36Å; E390-L394 PolarHBondContact O-N 2.76Å
391V64.2Low63.1Low55 Ų55119.2 Ų119.233%0.33363%0.634SS.*Hα-helixtrans-65.8-37.4174177.90000111.3R386 D387R386-V391 HydrophobicContact CB-CG2 3.97Å; D387-V391 PolarHBondContact O-N 2.89Å; D387-V391 VanDerWaalsContact O-N 3.09Å
392I64.5Low63.3Low133 Ų133115.4 Ų115.468%0.68262%0.623SS**Hα-helixtrans-72.5-40.3176.5-65.6166.5000111I388 S389 E390I388-I392 HydrophobicContact CG2-CD1 4.27Å; I388-I392 WeakPolarHBondContact O-CD1 3.27Å; I388-I392 VanDerWaalsContact O-CG1 3.29Å; I388-I392 WeakPolarHBondContact O-CG1 3.09Å; I388-I392 PolarHBondContact O-N 3.05Å; S389-I392 PolarHBondContact O-N 3.27Å; E390-I392 VanDerWaalsContact C-N 3.33Å
393A68.5Low63.5Low89 Ų89114.5 Ų114.574%0.73663%0.633SS**Hα-helixtrans-72.1-25.9-18000000114.1S389 E390S389-A393 WeakPolarHBondContact O-CB 3.32Å; S389-A393 PolarHBondContact O-N 2.99Å; S389-A393 VanDerWaalsContact O-N 3.07Å; E390-A393 PolarHBondContact O-N 3.04Å
394L62.4Low63.6Low106 Ų106117 Ų11756%0.55564%0.641SS**THydrogen-bonded Turntrans-93.63.4-179.9-82.2158.4000114.6E390 V396E390-L394 VanDerWaalsContact O-CB 3.32Å; E390-L394 WeakPolarHBondContact O-CB 3.36Å; E390-L394 PolarHBondContact O-N 2.76Å; L394-V396 HydrophobicContact CB-CG2 3.85Å; L394-V396 PolarHBondContact O-N 2.85Å
395G65.4Low64Low64 Ų64114.9 Ų114.966%0.6664%0.639SS**THydrogen-bonded Turntrans57.824174.600000114.6P397G395-P397 WeakPolarHBondContact O-CD 3.48Å
396V64.5Low64.4Low72 Ų72115.8 Ų115.844%0.43664%0.639SS.*  trans-75.3120.6-175.2-173.50000108.8L394 N398L394-V396 HydrophobicContact CB-CG2 3.85Å; L394-V396 PolarHBondContact O-N 2.85Å; V396-N398 PolarHBondContact O-N 3.31Å; V396-N398 VanDerWaalsContact O-N 3.16Å
397P59.9Low64.8Low115 Ų115117.7 Ų117.775%0.74765%0.647SS**  trans-62.6119.3177.5-16.628.7000109.7G395 P399G395-P397 WeakPolarHBondContact O-CD 3.48Å; P397-P399 WeakPolarHBondContact O-CD 3.46Å
398N62.4Low65.4Low136 Ų136115.6 Ų115.673%0.72764%0.636SS**  trans-78110.3175-174.111.8000109.4V396 R400V396-N398 PolarHBondContact O-N 3.31Å; V396-N398 VanDerWaalsContact O-N 3.16Å; N398-R400 PolarHBondContact O-N 3.03Å
399P62.7Low66.2Low93 Ų93117.2 Ų117.260%0.60464%0.64SS**  trans-69.5115.1172.729.7-31.3000108.1P397 T401P397-P399 WeakPolarHBondContact O-CD 3.46Å; P399-T401 VanDerWaalsContact C-N 3.26Å; P399-T401 PolarHBondContact O-N 3.03Å
400R57.9Low66.7Low248 Ų248122.5 Ų122.594%0.93665%0.648SS**  trans-64.386.6171.7-73.6-178.3167.6-179.7-3.4109.5N398 S402N398-R400 PolarHBondContact O-N 3.03Å; R400-S402 PolarHBondContact O-N 3.16Å
401T63.1Low67Low114 Ų114122.9 Ų122.970%0.69965%0.652SS**  trans-82.7107172.449.30000109.2P399P399-T401 VanDerWaalsContact C-N 3.26Å; P399-T401 PolarHBondContact O-N 3.03Å
402S61.3Low67.5Low68 Ų68126.2 Ų126.248%0.47666%0.663SS.*  trans-77.2124.4169.853.80000109.9R400 E404 Q406R400-S402 PolarHBondContact O-N 3.16Å; S402-E404 PolarHBondContact O-N 2.8Å; S402-Q406 PolarHBondContact OG-NE2 3.45Å
403N64.2Low67.9Low174 Ų174128.1 Ų128.193%0.9367%0.674SS**SBendtrans-83.317.7-175.5-102.3-1000114.6
404E61.3Low68.1Low154 Ų154129.2 Ų129.272%0.7266%0.664SS**SBendtrans-132.2149.4-173.8-156.1167.8-160.400109S402 Q406S402-E404 PolarHBondContact O-N 2.8Å; E404-Q406 PolarHBondContact O-N 3.19Å
405V71.2Confident68.5Low116 Ų116129.1 Ų129.170%0.70367%0.672SS**  trans-52.3112.8177.6176.80000107.6Y407V405-Y407 WeakPolarHBondContact O-CD2 3.45Å; V405-Y407 PolarHBondContact O-N 2.92Å
406Q68.4Low68.5Low159 Ų159133.5 Ų133.574%0.74367%0.673SS**  trans-64.8106.1178.2-74.7177.6-1300108S402 E404S402-Q406 PolarHBondContact OG-NE2 3.45Å; E404-Q406 PolarHBondContact O-N 3.19Å
407Y72.4Confident68.5Low149 Ų149133 Ų13358%0.58468%0.682SS**  trans-69138.7164.7-61-80.8000108.2V405 Q409 F412V405-Y407 WeakPolarHBondContact O-CD2 3.45Å; V405-Y407 PolarHBondContact O-N 2.92Å; Y407-Q409 PolarHBondContact O-N 2.94Å; Y407-F412 HydrophobicContact CD2-CZ 4.26Å; Y407-F412 HydrophobicContact CG-CE2 4.48Å; Y407-F412 HydrophobicContact CG-CZ 4.38Å
408D75.9Confident68.7Low64 Ų64136.2 Ų136.234%0.34269%0.69SS.*  trans-57.4127.1178.4-175-12.9000110.2R410 L411D408-R410 VanDerWaalsContact CG-NE 3.32Å; D408-R410 PolarHBondContact O-N 3.42Å; D408-R410 WeakPolarHBondContact OD1-CB 3.35Å; D408-R410 WeakPolarHBondContact OD1-CG 3.48Å; D408-R410 IonicContact OD1-CZ 3.62Å; D408-R410 PolarHBondContact OD1-N 3.43Å; D408-R410 IonicContact OD1-NE 3.33Å; D408-R410 PolarHBondContact OD1-NE 3.19Å; D408-R410 VanDerWaalsContact OD1-NE 3.09Å; D408-R410 IonicContact OD1-NH2 2.8Å; D408-R410 IonicContact OD2-CZ 2.82Å; D408-R410 IonicContact OD2-NE 2.66Å; D408-R410 PolarHBondContact OD2-NE 3.25Å; D408-R410 IonicContact OD2-NH2 3.81Å; D408-R410 PolarHBondContact OD2-NH2 3.04Å; D408-L411 HydrophobicContact CB-CD1 3.93Å; D408-L411 HydrophobicContact CB-CG 4.09Å; D408-L411 VanDerWaalsContact O-CB 3.31Å; D408-L411 WeakPolarHBondContact O-CB 3.28Å; D408-L411 PolarHBondContact O-N 3.23Å
409Q81Confident68.8Low173 Ų173136.6 Ų136.681%0.80869%0.692SS**G310 helixtrans-54.9-25.5177.3-85.5175.5-4.500112.7Y407 L411 F412Y407-Q409 PolarHBondContact O-N 2.94Å; Q409-L411 PolarHBondContact O-N 2.95Å; Q409-F412 PolarHBondContact O-N 3.26Å
410R81Confident68.9Low193 Ų193137 Ų13773%0.72870%0.697SS**G310 helixtrans-66.5-18.4175.5-61.9177.6-70.1-169.61.8113.3D408 Q414D408-R410 VanDerWaalsContact CG-NE 3.32Å; D408-R410 PolarHBondContact O-N 3.42Å; D408-R410 WeakPolarHBondContact OD1-CB 3.35Å; D408-R410 WeakPolarHBondContact OD1-CG 3.48Å; D408-R410 IonicContact OD1-CZ 3.62Å; D408-R410 PolarHBondContact OD1-N 3.43Å; D408-R410 IonicContact OD1-NE 3.33Å; D408-R410 PolarHBondContact OD1-NE 3.19Å; D408-R410 VanDerWaalsContact OD1-NE 3.09Å; D408-R410 IonicContact OD1-NH2 2.8Å; D408-R410 IonicContact OD2-CZ 2.82Å; D408-R410 IonicContact OD2-NE 2.66Å; D408-R410 PolarHBondContact OD2-NE 3.25Å; D408-R410 IonicContact OD2-NH2 3.81Å; D408-R410 PolarHBondContact OD2-NH2 3.04Å; R410-Q414 PolarHBondContact O-NE2 3.04Å
411L75.1Confident69.3Low105 Ų105127.2 Ų127.255%0.5567%0.673SS.*G310 helixtrans-88-20.6177.4-62169.7000112.6D408 Q409D408-L411 HydrophobicContact CB-CD1 3.93Å; D408-L411 HydrophobicContact CB-CG 4.09Å; D408-L411 VanDerWaalsContact O-CB 3.31Å; D408-L411 WeakPolarHBondContact O-CB 3.28Å; D408-L411 PolarHBondContact O-N 3.23Å; Q409-L411 PolarHBondContact O-N 2.95Å
412F74Confident69.3Low126 Ų126130 Ų13055%0.55368%0.676SS**THydrogen-bonded Turntrans-86.5152.4173.7-69.3-74.2000110.9Y407 Q409 Q414Y407-F412 HydrophobicContact CD2-CZ 4.26Å; Y407-F412 HydrophobicContact CG-CE2 4.48Å; Y407-F412 HydrophobicContact CG-CZ 4.38Å; Q409-F412 PolarHBondContact O-N 3.26Å; F412-Q414 PolarHBondContact O-N 3.38Å
413N73.1Confident69.4Low173 Ų173129.2 Ų129.293%0.92567%0.674SS**THydrogen-bonded Turntrans59.322.5-174.9-61.1-26000114.9
414Q73Confident69.6Low111 Ų111125.2 Ų125.252%0.51967%0.673SS.*  trans-75124.1160.8-62.1-170.75.300108.2R410 F412 K416R410-Q414 PolarHBondContact O-NE2 3.04Å; F412-Q414 PolarHBondContact O-N 3.38Å; Q414-K416 PolarHBondContact O-N 3.17Å
415S71.8Confident69.8Low104 Ų104119.6 Ų119.673%0.72766%0.657SS**SBendtrans-69.510.1-17855.80000114.9G417S415-G417 PolarHBondContact O-N 3.3Å
416K64.9Low69.5Low156 Ų156120.2 Ų120.268%0.67865%0.652SS**THydrogen-bonded Turntrans-87.790.4180-78.3-175.4170.5-1720110.3Q414Q414-K416 PolarHBondContact O-N 3.17Å
417G64.6Low69.6Low61 Ų61120.1 Ų120.163%0.62966%0.657SS**THydrogen-bonded Turntrans-178.7-31.817200000117.6S415S415-G417 PolarHBondContact O-N 3.3Å
418M64.2Low69.7Low183 Ų183121.6 Ų121.690%0.90167%0.669SS**THydrogen-bonded Turntrans-108.1-27.3177.7-80.1179.571.100113.7
419D64Low69.6Low144 Ų144121.6 Ų121.677%0.7767%0.668SS**SBendtrans-92.9-8.6-173.4-64.9-18.9000114G421D419-G421 PolarHBondContact O-N 2.89Å; D419-G421 VanDerWaalsContact O-N 3.1Å
420S64.4Low69.1Low101 Ų101122.7 Ų122.771%0.70667%0.666SS**  trans-85.536-179.361.70000113.1
421G66Low68.9Low43 Ų43117.4 Ų117.444%0.44365%0.652SS.*  trans-84.7137.3176.600000111.6D419 A423D419-G421 PolarHBondContact O-N 2.89Å; D419-G421 VanDerWaalsContact O-N 3.1Å; G421-A423 VanDerWaalsContact C-N 3.34Å; G421-A423 PolarHBondContact O-N 3.04Å
422F64.5Low69Low173 Ų173117.2 Ų117.276%0.75966%0.655SS**  trans-66.298.5163-149.6-100.5000106.2G424F422-G424 VanDerWaalsContact C-N 3.26Å; F422-G424 PolarHBondContact O-N 3.06Å
423A62.6Low69.3Low52 Ų52120 Ų12043%0.4366%0.663SS.*  trans-63.283.4-173.400000111.2G421 G425 E426 I429G421-A423 VanDerWaalsContact C-N 3.34Å; G421-A423 PolarHBondContact O-N 3.04Å; A423-G425 PolarHBondContact O-N 3.47Å; A423-E426 PolarHBondContact O-N 3.01Å; A423-E426 VanDerWaalsContact O-N 3.08Å; A423-I429 HydrophobicContact CB-CD1 3.32Å
424G69Low69.4Low89 Ų89118.6 Ų118.692%0.91866%0.656SS**THydrogen-bonded Turntrans62.3-1.8174.400000117F422F422-G424 VanDerWaalsContact C-N 3.26Å; F422-G424 PolarHBondContact O-N 3.06Å
425G65Low69.6Low36 Ų36120.9 Ų120.937%0.37167%0.667SS.*THydrogen-bonded Turntrans80.826.8-168.900000114A423 D427A423-G425 PolarHBondContact O-N 3.47Å; G425-D427 PolarHBondContact O-N 2.66Å
426E64.5Low70.1Confident130 Ų130119.6 Ų119.661%0.60766%0.663SS**  trans-70109.2168.1-102.4-178.1171.500110.3A423 E428 I429A423-E426 PolarHBondContact O-N 3.01Å; A423-E426 VanDerWaalsContact O-N 3.08Å; E426-E428 PolarHBondContact O-N 2.78Å; E426-E428 VanDerWaalsContact O-N 3.07Å; E426-I429 HydrophobicContact CB-CD1 3.48Å; E426-I429 VanDerWaalsContact CB-CD1 3.48Å; E426-I429 HydrophobicContact CB-CG1 3.81Å; E426-I429 PolarHBondContact O-N 3.09Å; E426-I429 WeakPolarHBondContact OE2-CD1 3.36Å
427D70.3Confident71Confident157 Ų157122.9 Ų122.984%0.8467%0.671SS**THydrogen-bonded Turntrans-61.4-14.2179.1-68.4-24.2000113.5G425G425-D427 PolarHBondContact O-N 2.66Å
428E74Confident71.7Confident179 Ų179127.9 Ų127.984%0.83667%0.671SS**THydrogen-bonded Turntrans-80.8-14.2-176.7-61-171.4170.900114.2E426E426-E428 PolarHBondContact O-N 2.78Å; E426-E428 VanDerWaalsContact O-N 3.07Å
429I74Confident72.1Confident65 Ų65121.5 Ų121.533%0.33365%0.652SS.*SBendtrans-82.4-18.9-168.2-54.3171.7000112.3A423 E426 N431A423-I429 HydrophobicContact CB-CD1 3.32Å; E426-I429 HydrophobicContact CB-CD1 3.48Å; E426-I429 VanDerWaalsContact CB-CD1 3.48Å; E426-I429 HydrophobicContact CB-CG1 3.81Å; E426-I429 PolarHBondContact O-N 3.09Å; E426-I429 WeakPolarHBondContact OE2-CD1 3.36Å; I429-N431 HydrophobicContact CG2-CB 4.13Å; I429-N431 PolarHBondContact O-N 3.36Å
430Y71.6Confident72.2Confident195 Ų195116.6 Ų116.677%0.76564%0.635SS**  trans42.141.1173.6-150.2-95.8000114.8V432Y430-V432 PolarHBondContact O-N 3Å
431N77.1Confident72.1Confident82 Ų82120.7 Ų120.744%0.43964%0.64SS.*  trans-99.234.3-175.561.9-8.8000113.1I429 Y433I429-N431 HydrophobicContact CG2-CB 4.13Å; I429-N431 PolarHBondContact O-N 3.36Å; N431-Y433 PolarHBondContact O-N 2.78Å
432V77.1Confident71.8Confident101 Ų101125.7 Ų125.761%0.61266%0.657SS**  trans-66.8-21.9-173.2-1750000113.5Y430Y430-V432 PolarHBondContact O-N 3Å
433Y79.5Confident71.6Confident184 Ų184123.6 Ų123.672%0.72265%0.651SS**  trans-122.5125.4-175-56.5-60.3000112.1N431 Q435N431-Y433 PolarHBondContact O-N 2.78Å; Y433-Q435 PolarHBondContact O-N 3.36Å
434D75.3Confident71.4Confident145 Ų145124.1 Ų124.178%0.77566%0.655SS**SBendtrans-71.4-14.8178.1-64.6-9.9000114
435Q78.5Confident71.2Confident159 Ų159127.1 Ų127.174%0.74365%0.645SS**SBendtrans-140.7147.4-175.4-66.1-175.4-7.700111.3Y433Y433-Q435 PolarHBondContact O-N 3.36Å
436A81.5Confident71.3Confident77 Ų77129.9 Ų129.964%0.63666%0.659SS**  trans-70.1139173.700000111.4R438A436-R438 PolarHBondContact O-N 3.15Å
437W82.8Confident71.4Confident224 Ų224129.7 Ų129.785%0.84866%0.661SS**SBendtrans-52.6-29.2178.3166.9-116.7000114.8
438R80.9Confident71.2Confident167 Ų167131.9 Ų131.963%0.6366%0.659SS**  trans-124128.6176.8-69.3-73.8-155.7-106.10.8108.9A436 G440A436-R438 PolarHBondContact O-N 3.15Å; R438-G440 PolarHBondContact O-N 2.86Å
439G70.6Confident71Confident49 Ų49133 Ų13351%0.50566%0.655SS.*THydrogen-bonded Turntrans-64.21.2168.400000114.3K441 D442 M443G439-K441 VanDerWaalsContact C-N 3.29Å; G439-K441 PolarHBondContact O-N 3.23Å; G439-D442 PolarHBondContact O-N 3.16Å; G439-M443 WeakPolarHBondContact O-CB 3.43Å; G439-M443 VanDerWaalsContact O-CG 3.25Å; G439-M443 WeakPolarHBondContact O-CG 3.36Å; G439-M443 PolarHBondContact O-N 2.85Å
440G66.3Low70.8Confident41 Ų41134.1 Ų134.142%0.42367%0.667SS.*Hα-helixtrans-62.6-28.8-17600000114.6R438 A444R438-G440 PolarHBondContact O-N 2.86Å; G440-A444 VanDerWaalsContact O-CB 3.3Å; G440-A444 WeakPolarHBondContact O-CB 3.49Å; G440-A444 PolarHBondContact O-N 3.15Å
441K62.8Low70.4Confident186 Ų186127.7 Ų127.781%0.80965%0.65SS**Hα-helixtrans-78.4-32.6177.7-88.4-178.9173.7179.80113.3G439 A444G439-K441 VanDerWaalsContact C-N 3.29Å; G439-K441 PolarHBondContact O-N 3.23Å; K441-A444 WeakPolarHBondContact O-CB 3.24Å
442D60Low69.6Low149 Ų149132.5 Ų132.580%0.79767%0.667SS**Hα-helixtrans-82.3-34.8177.9-137.619.2000110.7G439 A444G439-D442 PolarHBondContact O-N 3.16Å; D442-A444 VanDerWaalsContact C-N 3.3Å; D442-A444 PolarHBondContact O-N 3.44Å
443M59.6Low69.1Low129 Ų129133.2 Ų133.264%0.63567%0.668SS**Hα-helixtrans-71.2-22.9170.9-65.3-133.5-63.700113G439 Q445 S446 I447G439-M443 WeakPolarHBondContact O-CB 3.43Å; G439-M443 VanDerWaalsContact O-CG 3.25Å; G439-M443 WeakPolarHBondContact O-CG 3.36Å; G439-M443 PolarHBondContact O-N 2.85Å; M443-Q445 PolarHBondContact O-N 2.82Å; M443-S446 CarbonylContact O-C 3.57Å; M443-S446 PolarHBondContact O-N 2.66Å; M443-I447 HydrophobicContact CB-CG1 4.34Å; M443-I447 WeakPolarHBondContact O-CG1 3.47Å; M443-I447 PolarHBondContact O-N 2.85Å
444A59.5Low68.3Low62 Ų62130.9 Ų130.951%0.51267%0.667SS.*THydrogen-bonded Turntrans-56.4-26.1-177.700000114G440 K441 D442 S446G440-A444 VanDerWaalsContact O-CB 3.3Å; G440-A444 WeakPolarHBondContact O-CB 3.49Å; G440-A444 PolarHBondContact O-N 3.15Å; K441-A444 WeakPolarHBondContact O-CB 3.24Å; D442-A444 VanDerWaalsContact C-N 3.3Å; D442-A444 PolarHBondContact O-N 3.44Å; A444-S446 VanDerWaalsContact C-N 3.27Å; A444-S446 PolarHBondContact O-N 3.3Å
445Q63.7Low67.7Low153 Ų153128.9 Ų128.972%0.71566%0.657SS**THydrogen-bonded Turntrans-77.1-12178.4-62.7-148.5-8.300114.1M443 R449M443-Q445 PolarHBondContact O-N 2.82Å; Q445-R449 PolarHBondContact O-NH1 2.71Å
446S66.7Low66.8Low94 Ų94125.8 Ų125.866%0.65764%0.641SS**THydrogen-bonded Turntrans-139.58.8-172.7-72.70000115.7M443 A444 Y448M443-S446 CarbonylContact O-C 3.57Å; M443-S446 PolarHBondContact O-N 2.66Å; A444-S446 VanDerWaalsContact C-N 3.27Å; A444-S446 PolarHBondContact O-N 3.3Å; S446-Y448 PolarHBondContact O-N 2.73Å
447I68.2Low65.9Low126 Ų126129.1 Ų129.165%0.64665%0.648SS**SBendtrans-55.3-32.7-175.6-55.2-171.3000112.5M443M443-I447 HydrophobicContact CB-CG1 4.34Å; M443-I447 WeakPolarHBondContact O-CG1 3.47Å; M443-I447 PolarHBondContact O-N 2.85Å
448Y65.8Low65Low202 Ų202125.5 Ų125.579%0.79264%0.642SS**SBendtrans-158.2103.4171.4-171.1-109.7000110.6S446 P450S446-Y448 PolarHBondContact O-N 2.73Å; Y448-P450 HydrophobicContact CD1-CG 3.93Å; Y448-P450 HydrophobicContact CD2-CG 4.29Å; Y448-P450 HydrophobicContact CE1-CG 3.35Å; Y448-P450 HydrophobicContact CE2-CG 3.76Å; Y448-P450 HydrophobicContact CG-CG 4.37Å; Y448-P450 WeakPolarHBondContact OH-CG 3.31Å
449R69.8Low64.1Low202 Ų202125 Ų12576%0.76264%0.641SS**  trans-132.685.7168.5-87.1-174.2140.2123.7-4.1109.7Q445 S451Q445-R449 PolarHBondContact O-NH1 2.71Å; R449-S451 PolarHBondContact O-N 2.99Å
450P68.7Low63.4Low89 Ų89124.7 Ų124.758%0.57864%0.638SS**  trans-64.1106.4172.9-15.429.3000109Y448Y448-P450 HydrophobicContact CD1-CG 3.93Å; Y448-P450 HydrophobicContact CD2-CG 4.29Å; Y448-P450 HydrophobicContact CE1-CG 3.35Å; Y448-P450 HydrophobicContact CE2-CG 3.76Å; Y448-P450 HydrophobicContact CG-CG 4.37Å; Y448-P450 WeakPolarHBondContact OH-CG 3.31Å
451S63.3Low62.9Low60 Ų60128.2 Ų128.242%0.4265%0.647SS.*  trans-87.7110.7173.3177.60000108.6R449 N453 L454R449-S451 PolarHBondContact O-N 2.99Å; S451-N453 PolarHBondContact O-N 3.23Å; S451-N453 PolarHBondContact OG-N 2.75Å; S451-L454 PolarHBondContact O-N 3.06Å
452K61.9Low62.7Low183 Ų183124 Ų12480%0.79663%0.634SS**THydrogen-bonded Turntrans-57.6-13.8174.1-70.7-179178.4179.40113.6
453N65.6Low62.9Low117 Ų117122.1 Ų122.163%0.62662%0.623SS**THydrogen-bonded Turntrans-89-19.7178.7-75.6-5.4000113.5S451S451-N453 PolarHBondContact O-N 3.23Å; S451-N453 PolarHBondContact OG-N 2.75Å
454L63.6Low63Low135 Ų135119.2 Ų119.271%0.70761%0.608SS**THydrogen-bonded Turntrans-79.4-32.5-180-121.580.4000112.6S451 K456S451-L454 PolarHBondContact O-N 3.06Å; L454-K456 VanDerWaalsContact C-N 3.34Å
455D61.2Low63.1Low103 Ų103118.8 Ų118.855%0.55161%0.605SS**Hα-helixtrans-76.2-21.1-179.7-75.1-28000113.1D457 Y459D455-D457 VanDerWaalsContact C-N 3.32Å; D455-D457 PolarHBondContact O-N 3.29Å; D455-Y459 PolarHBondContact O-N 3.47Å; D455-Y459 VanDerWaalsContact O-N 3.07Å
456K60.8Low63.1Low94 Ų94119.5 Ų119.541%0.40960%0.601SS.*Hα-helixtrans-67-29.3-179.7-85.7-171.2173.2-149.20113.8L454 E464L454-K456 VanDerWaalsContact C-N 3.34Å; K456-E464 WeakPolarHBondContact CE-OE1 3.38Å; K456-E464 IonicContact NZ-OE1 2.75Å; K456-E464 PolarHBondContact NZ-OE1 3.11Å; K456-E464 IonicContact NZ-OE2 3.8Å; K456-E464 PolarHBondContact NZ-OE2 2.93Å
457D62.7Low62.9Low147 Ų147121 Ų12179%0.78660%0.6SS**Hα-helixtrans-89.7-27-178.2-66.5-28.9000112.6D455D455-D457 VanDerWaalsContact C-N 3.32Å; D455-D457 PolarHBondContact O-N 3.29Å
458M63.8Low62.8Low148 Ų148122.1 Ų122.173%0.72960%0.6SS**Hα-helixtrans-84.4-36.4178.3-117.1-159.173.900112.7
459Y61Low62.5Low156 Ų156115.4 Ų115.461%0.61258%0.58SS**SBendtrans-102.772.8170.8-67.3-84.7000107.7D455D455-Y459 PolarHBondContact O-N 3.47Å; D455-Y459 VanDerWaalsContact O-N 3.07Å
460G56Low62Low43 Ų43112.9 Ų112.944%0.44358%0.582SS.*  trans-40.6152.9-175.100000113.3D462 L463G460-D462 WeakPolarHBondContact O-CA 3.27Å; G460-D462 PolarHBondContact O-N 3.3Å; G460-L463 PolarHBondContact O-N 2.78Å
461D57.1Low61.7Low114 Ų114118.6 Ų118.661%0.6159%0.592SS**THydrogen-bonded Turntrans-44.1-4.7-167.3-127.2-3.1000117.6L463 E464 A465D461-L463 PolarHBondContact O-N 3.32Å; D461-E464 PolarHBondContact O-N 2.76Å; D461-A465 WeakPolarHBondContact O-CB 3.03Å; D461-A465 PolarHBondContact O-N 3.04Å
462D58.4Low61.6Low99 Ų99124.2 Ų124.253%0.52961%0.609SS.*Hα-helixtrans-54.3-31165.1-102.728.5000113.6G460 R466G460-D462 WeakPolarHBondContact O-CA 3.27Å; G460-D462 PolarHBondContact O-N 3.3Å; D462-R466 WeakPolarHBondContact O-CB 3.38Å; D462-R466 WeakPolarHBondContact O-CD 3.2Å; D462-R466 WeakPolarHBondContact O-CG 3.35Å; D462-R466 PolarHBondContact O-N 3.18Å; D462-R466 IonicContact OD2-CZ 3.45Å; D462-R466 IonicContact OD2-NE 2.74Å; D462-R466 IonicContact OD2-NH2 3.13Å; D462-R466 PolarHBondContact OD2-NH2 3.12Å
463L63Low61.5Low109 Ų109120.3 Ų120.357%0.57160%0.601SS**Hα-helixtrans-72.6-44.6175.3-156.487.3000110.9G460 D461 R466 I467G460-L463 PolarHBondContact O-N 2.78Å; D461-L463 PolarHBondContact O-N 3.32Å; L463-R466 PolarHBondContact O-N 3.19Å; L463-I467 HydrophobicContact CD2-CD1 4.05Å; L463-I467 HydrophobicContact CG-CD1 3.9Å; L463-I467 VanDerWaalsContact O-CB 3.27Å; L463-I467 WeakPolarHBondContact O-CB 3.47Å; L463-I467 VanDerWaalsContact O-CD1 3.28Å; L463-I467 WeakPolarHBondContact O-CD1 3.45Å; L463-I467 WeakPolarHBondContact O-CG1 3.37Å; L463-I467 PolarHBondContact O-N 3.17Å
464E61.5Low61.3Low67 Ų67119.7 Ų119.731%0.31360%0.603SS.*Hα-helixtrans-75.8-28.6-178.9-148.7163.5-149.200111.7K456 D461 K468K456-E464 WeakPolarHBondContact CE-OE1 3.38Å; K456-E464 IonicContact NZ-OE1 2.75Å; K456-E464 PolarHBondContact NZ-OE1 3.11Å; K456-E464 IonicContact NZ-OE2 3.8Å; K456-E464 PolarHBondContact NZ-OE2 2.93Å; D461-E464 PolarHBondContact O-N 2.76Å; E464-K468 VanDerWaalsContact O-CB 3.31Å; E464-K468 WeakPolarHBondContact O-CB 3.37Å; E464-K468 WeakPolarHBondContact O-CD 3.07Å; E464-K468 VanDerWaalsContact O-CG 3.24Å; E464-K468 WeakPolarHBondContact O-CG 3.5Å; E464-K468 PolarHBondContact O-N 3.25Å; E464-K468 VanDerWaalsContact O-N 3.09Å
465A63Low61.2Low54 Ų54121.3 Ų121.345%0.44661%0.612SS.*Hα-helixtrans-73.7-37.9169.900000112.8D461 K468 T469D461-A465 WeakPolarHBondContact O-CB 3.03Å; D461-A465 PolarHBondContact O-N 3.04Å; A465-K468 PolarHBondContact O-N 3.07Å; A465-T469 WeakPolarHBondContact O-CG2 3.27Å; A465-T469 PolarHBondContact O-N 3.42Å
466R62.1Low61Low167 Ų167124 Ų12463%0.6362%0.619SS**Hα-helixtrans-70.4-35.7173-75.3172.2-158178.89112.2D462 L463 K468 T469D462-R466 WeakPolarHBondContact O-CB 3.38Å; D462-R466 WeakPolarHBondContact O-CD 3.2Å; D462-R466 WeakPolarHBondContact O-CG 3.35Å; D462-R466 PolarHBondContact O-N 3.18Å; D462-R466 IonicContact OD2-CZ 3.45Å; D462-R466 IonicContact OD2-NE 2.74Å; D462-R466 IonicContact OD2-NH2 3.13Å; D462-R466 PolarHBondContact OD2-NH2 3.12Å; L463-R466 PolarHBondContact O-N 3.19Å; R466-K468 VanDerWaalsContact C-N 3.34Å; R466-T469 PolarHBondContact O-OG1 2.88Å
467I64Low60.7Low126 Ų126127.1 Ų127.165%0.64664%0.635SS**Hα-helixtrans-70.7-27.9176.1-69.8165.6000112L463L463-I467 HydrophobicContact CD2-CD1 4.05Å; L463-I467 HydrophobicContact CG-CD1 3.9Å; L463-I467 VanDerWaalsContact O-CB 3.27Å; L463-I467 WeakPolarHBondContact O-CB 3.47Å; L463-I467 VanDerWaalsContact O-CD1 3.28Å; L463-I467 WeakPolarHBondContact O-CD1 3.45Å; L463-I467 WeakPolarHBondContact O-CG1 3.37Å; L463-I467 PolarHBondContact O-N 3.17Å
468K65.2Low60.1Low149 Ų149128.3 Ų128.365%0.64863%0.634SS**THydrogen-bonded Turntrans-87.5-3.9177.9-78173.2-177.7167.40115.2E464 A465 R466E464-K468 VanDerWaalsContact O-CB 3.31Å; E464-K468 WeakPolarHBondContact O-CB 3.37Å; E464-K468 WeakPolarHBondContact O-CD 3.07Å; E464-K468 VanDerWaalsContact O-CG 3.24Å; E464-K468 WeakPolarHBondContact O-CG 3.5Å; E464-K468 PolarHBondContact O-N 3.25Å; E464-K468 VanDerWaalsContact O-N 3.09Å; A465-K468 PolarHBondContact O-N 3.07Å; R466-K468 VanDerWaalsContact C-N 3.34Å
469T60.1Low59.6Low61 Ų61126.5 Ų126.537%0.37464%0.635SS.*SBendtrans-78.7128169.861.90000110.3A465 R466 R471A465-T469 WeakPolarHBondContact O-CG2 3.27Å; A465-T469 PolarHBondContact O-N 3.42Å; R466-T469 PolarHBondContact O-OG1 2.88Å; T469-R471 PolarHBondContact O-N 3.23Å
470N59.1Low59.5Low149 Ų149122.8 Ų122.880%0.79764%0.644SS**THydrogen-bonded Turntrans-66.530177.7-70.9-27.4000114.1
471R62.2Low59.1Low209 Ų209124.6 Ų124.679%0.78965%0.65SS**THydrogen-bonded Turntrans-87.8-11178.7-71.1-178.3-159.8-151.82.8113.7T469T469-R471 PolarHBondContact O-N 3.23Å
472F60.9Low58.6Low179 Ų179125.6 Ų125.679%0.78566%0.656SS**SBendtrans-133.324.1-173.5-61.5-73.3000114P474F472-P474 WeakPolarHBondContact O-CD 3.28Å
473V59.7Low58.1Low101 Ų101132.2 Ų132.261%0.61267%0.673SS**  trans-96112171.7-175.20000108.2
474P61.3Low57.3Low104 Ų104137.1 Ų137.168%0.67568%0.684SS**  trans-64.5136.2172-17.931.8000110.8F472 K476F472-P474 WeakPolarHBondContact O-CD 3.28Å; P474-K476 PolarHBondContact O-N 2.68Å
475D61.6Low56.6Low168 Ų168141.7 Ų141.790%0.89871%0.705SS**SBendtrans-67.87.9-176.7-74.2-33.3000115.3
476K57.5Low55.5Low161 Ų161149.7 Ų149.770%0.772%0.724SS**  trans-171.3134.5-175.9-106.7143.3173.6-179.80107.5P474P474-K476 PolarHBondContact O-N 2.68Å
477E55.3Low54.7Low158 Ų158145.9 Ų145.974%0.73874%0.737SS**  cis-175.9161.14.4-105.9168.1-15500104.3
478F48.4Very low53.7Low173 Ų173151.6 Ų151.676%0.75975%0.751SS**  -166.298.1126.1-168.2-103.8000107.7G480F478-G480 PolarHBondContact O-N 2.95Å
479S55Low53Low110 Ų110154.2 Ų154.277%0.76977%0.765SS**THydrogen-bonded Turntrans-61.1120.4173.555.30000109.8
480G58.2Low53.1Low77 Ų77154.2 Ų154.279%0.79478%0.777SS**THydrogen-bonded Turntrans135.51175.600000116.3F478F478-G480 PolarHBondContact O-N 2.95Å
481S48Very low53.2Low82 Ų82153.4 Ų153.457%0.57378%0.78SS**  trans-117.382.1173.257.60000111.6R483S481-R483 PolarHBondContact O-N 3.06Å
482D46.8Very low52.9Low135 Ų135148.5 Ų148.572%0.72277%0.773SS**  trans-70.396.3167.3-161.16.1000108.4R484D482-R484 PolarHBondContact O-N 2.8Å; D482-R484 WeakPolarHBondContact OD1-CG 3.18Å
483R47.3Very low52.7Low237 Ų237149.1 Ų149.189%0.89478%0.778SS**  trans-75.269.4171.8-72.5-174.6-172.4171.33.6109.4S481S481-R483 PolarHBondContact O-N 3.06Å
484R45.8Very low52.4Low212 Ų212153.2 Ų153.280%0.879%0.788SS**  trans-12163.7169-75.5-172.8180-157.53.2111.5D482D482-R484 PolarHBondContact O-N 2.8Å; D482-R484 WeakPolarHBondContact OD1-CG 3.18Å
485Q48.1Very low52Low163 Ų163157.5 Ų157.576%0.76280%0.799SS**  trans-158.9136.8164.4-79.4-162.8-12.200106.1
486R39.2Very low51.6Low222 Ų222158.4 Ų158.484%0.83880%0.798SS**  cis-163.6136.710-102.9167179.9-171.70.9104.2
487G44.8Very low51.8Low88 Ų88154.1 Ų154.191%0.90778%0.783SS**  trans-143.477.116700000108.1
488R43.7Very low52.4Low246 Ų246152.2 Ų152.293%0.92878%0.784SS**  trans-125.582.6175.5-158.2-178.2-165.4-111.74.4107.5
489E50.4Low53.2Low204 Ų204151.9 Ų151.995%0.95378%0.782SS**  trans-124.394.9168.7-80.6-174.5165.100107.9
490G62.4Low53.9Low60 Ų60148.4 Ų148.462%0.61976%0.764SS**  trans-145.2132.8160.800000106.2
491P60.2Low54.6Low133 Ų133149.3 Ų149.386%0.86475%0.75SS**PPolyproline II helixtrans-64.5140.3177.226.7-30.3000109.8Q493P491-Q493 PolarHBondContact O-N 3.5Å
492V55.7Low55.7Low105 Ų105151 Ų15164%0.63675%0.753SS**PPolyproline II helixtrans-51.1121.5-169.6175.50000112.4F494V492-F494 HydrophobicContact CB-CE2 4.4Å; V492-F494 HydrophobicContact CB-CZ 4.37Å; V492-F494 HydrophobicContact CG1-CD1 4.16Å; V492-F494 HydrophobicContact CG1-CD2 4.42Å; V492-F494 HydrophobicContact CG1-CE1 4Å; V492-F494 HydrophobicContact CG1-CE2 4.27Å; V492-F494 HydrophobicContact CG1-CG 4.38Å; V492-F494 HydrophobicContact CG1-CZ 4.05Å; V492-F494 PolarHBondContact O-N 2.77Å
493Q58.3Low56.9Low192 Ų192152.4 Ų152.490%0.89775%0.753SS**PPolyproline II helixtrans-70.2118158.1-74.8172.8-34.700107.5P491P491-Q493 PolarHBondContact O-N 3.5Å
494F53Low58.3Low187 Ų187147.9 Ų147.982%0.8274%0.74SS**PPolyproline II helixtrans-84.4120170.1-66.3-81.4000108.4V492V492-F494 HydrophobicContact CB-CE2 4.4Å; V492-F494 HydrophobicContact CB-CZ 4.37Å; V492-F494 HydrophobicContact CG1-CD1 4.16Å; V492-F494 HydrophobicContact CG1-CD2 4.42Å; V492-F494 HydrophobicContact CG1-CE1 4Å; V492-F494 HydrophobicContact CG1-CE2 4.27Å; V492-F494 HydrophobicContact CG1-CG 4.38Å; V492-F494 HydrophobicContact CG1-CZ 4.05Å; V492-F494 PolarHBondContact O-N 2.77Å
495E52.7Low59.6Low195 Ų195143.1 Ų143.191%0.91173%0.729SS**PPolyproline II helixtrans-66.4155162.2-86.4175.2149.400110.4
496E53.5Low60.9Low187 Ų187142.1 Ų142.187%0.87473%0.725SS**  trans-36.2131.2-172.4-68.9172.9135.100115.7P498E496-P498 WeakPolarHBondContact O-CD 3.15Å; E496-P498 VanDerWaalsContact O-N 3.12Å
497D61.3Low62.5Low71 Ų71138 Ų13838%0.3872%0.715SS.*  trans-55.9108.2165.1173.226.3000109.8F499 G500 L501D497-F499 PolarHBondContact O-N 2.58Å; D497-F499 PolarHBondContact OD1-N 2.88Å; D497-F499 VanDerWaalsContact OD1-N 3.11Å; D497-G500 PolarHBondContact O-N 3.26Å; D497-G500 PolarHBondContact OD2-N 3.41Å; D497-L501 WeakPolarHBondContact OD2-CB 3.42Å; D497-L501 PolarHBondContact OD2-N 2.75Å
498P67.6Low63.6Low117 Ų117136.9 Ų136.976%0.7670%0.697SS**THydrogen-bonded Turntrans-69.3-3-178.127.5-30.6000113E496E496-P498 WeakPolarHBondContact O-CD 3.15Å; E496-P498 VanDerWaalsContact O-N 3.12Å
499F66Low64.7Low166 Ų166133.8 Ų133.873%0.72869%0.69SS**THydrogen-bonded Turntrans-105.40.5-179-70.3-80.3000114.8D497 L501D497-F499 PolarHBondContact O-N 2.58Å; D497-F499 PolarHBondContact OD1-N 2.88Å; D497-F499 VanDerWaalsContact OD1-N 3.11Å; F499-L501 HydrophobicContact CB-CD1 3.91Å; F499-L501 HydrophobicContact CB-CG 4.13Å; F499-L501 PolarHBondContact O-N 3.42Å
500G69.9Low65.4Low37 Ų37132 Ų13238%0.38168%0.682SS.*  trans55.825.2173.700000114.1D497 D502 K503 F504D497-G500 PolarHBondContact O-N 3.26Å; D497-G500 PolarHBondContact OD2-N 3.41Å; G500-D502 VanDerWaalsContact C-N 3.29Å; G500-D502 PolarHBondContact O-N 2.98Å; G500-K503 PolarHBondContact O-N 2.95Å; G500-F504 PolarHBondContact O-N 2.94Å
501L71Confident65.3Low96 Ų96136.9 Ų136.950%0.50369%0.688SS.*Hα-helixtrans-68.3-32.7-174.6-79.3158.3000111.1D497 F499 F504 L505D497-L501 WeakPolarHBondContact OD2-CB 3.42Å; D497-L501 PolarHBondContact OD2-N 2.75Å; F499-L501 HydrophobicContact CB-CD1 3.91Å; F499-L501 HydrophobicContact CB-CG 4.13Å; F499-L501 PolarHBondContact O-N 3.42Å; L501-F504 PolarHBondContact O-N 3.44Å; L501-L505 WeakPolarHBondContact O-CB 3.09Å; L501-L505 PolarHBondContact O-N 2.8Å
502D72.7Confident64.6Low119 Ų119133.9 Ų133.964%0.63668%0.682SS**Hα-helixtrans-66.8-37176.4-82-10.8000112.5G500 L505 E506G500-D502 VanDerWaalsContact C-N 3.29Å; G500-D502 PolarHBondContact O-N 2.98Å; D502-L505 PolarHBondContact O-N 3.09Å; D502-E506 PolarHBondContact O-N 3.47Å; D502-E506 VanDerWaalsContact O-N 3.09Å
503K72Confident63.9Low164 Ų164132.8 Ų132.871%0.71369%0.691SS**Hα-helixtrans-69.7-38.8174.7-74.4-176.9179.1175.70111.9G500 E506 E507G500-K503 PolarHBondContact O-N 2.95Å; K503-E506 PolarHBondContact O-N 2.93Å; K503-E507 WeakPolarHBondContact O-CB 3.34Å; K503-E507 PolarHBondContact O-N 3.03Å
504F75.1Confident63.3Low142 Ų142129.4 Ų129.462%0.62369%0.689SS**Hα-helixtrans-66.1-38.2176.4-177-102.1000112.3G500 L501 A508G500-F504 PolarHBondContact O-N 2.94Å; L501-F504 PolarHBondContact O-N 3.44Å; F504-A508 WeakPolarHBondContact O-CB 3.44Å; F504-A508 PolarHBondContact O-N 2.93Å; F504-A508 VanDerWaalsContact O-N 3.08Å
505L74.5Confident62.9Low111 Ų111129.9 Ų129.958%0.58169%0.691SS**Hα-helixtrans-71.5-34.1177.7-82.8162000113L501 D502 K509L501-L505 WeakPolarHBondContact O-CB 3.09Å; L501-L505 PolarHBondContact O-N 2.8Å; D502-L505 PolarHBondContact O-N 3.09Å; L505-K509 WeakPolarHBondContact O-CB 3.09Å; L505-K509 PolarHBondContact O-N 2.61Å
506E75.4Confident62.4Low142 Ų142132 Ų13266%0.66469%0.69SS**Hα-helixtrans-72.7-39.1173.9-78.2-172.4150.800112.7D502 K503 K509 Q510D502-E506 PolarHBondContact O-N 3.47Å; D502-E506 VanDerWaalsContact O-N 3.09Å; K503-E506 PolarHBondContact O-N 2.93Å; E506-K509 PolarHBondContact O-N 3.18Å; E506-Q510 PolarHBondContact O-N 3.33Å
507E71.9Confident61.9Low136 Ų136129.3 Ų129.364%0.63669%0.689SS**Hα-helixtrans-71.4-36.3-180-158.1169.5-155.900112.1K503 K509 Q510K503-E507 WeakPolarHBondContact O-CB 3.34Å; K503-E507 PolarHBondContact O-N 3.03Å; E507-K509 PolarHBondContact O-N 2.75Å; E507-Q510 PolarHBondContact O-N 3.31Å
508A67.3Low61Low64 Ų64131.5 Ų131.553%0.52971%0.71SS.*Hα-helixtrans-66.1-25172.500000113.1F504F504-A508 WeakPolarHBondContact O-CB 3.44Å; F504-A508 PolarHBondContact O-N 2.93Å; F504-A508 VanDerWaalsContact O-N 3.08Å
509K68.7Low59.7Low182 Ų182133.1 Ų133.179%0.79171%0.712SS**Hα-helixtrans-82.6-20.1-179.5-149.5172.4-176.6179.20113L505 E506 E507L505-K509 WeakPolarHBondContact O-CB 3.09Å; L505-K509 PolarHBondContact O-N 2.61Å; E506-K509 PolarHBondContact O-N 3.18Å; E507-K509 PolarHBondContact O-N 2.75Å
510Q65.2Low58.5Low165 Ų165130.5 Ų130.577%0.77171%0.714SS**Hα-helixtrans-85.6-18.5-179.9-70.6-160.87.700114.8E506 E507E506-Q510 PolarHBondContact O-N 3.33Å; E507-Q510 PolarHBondContact O-N 3.31Å
511H59.2Low57.2Low164 Ų164134.6 Ų134.676%0.75974%0.737SS**SBendtrans-107.45.6-173.4-73.1-70.7000116.5
512G45Very low55.9Low70 Ų70141 Ų14172%0.72275%0.754SS**  trans-110.66-170.300000118.4
513G41.8Very low54.5Low81 Ų81140.9 Ų140.984%0.83576%0.76SS**  trans-108.959-163.200000117.2
514S45.2Very low53Low122 Ų122141.3 Ų141.385%0.85376%0.762SS**  trans-98.3121166.7-178.80000111.1
515K44.1Very low51.5Low196 Ų196142 Ų14285%0.85277%0.767SS**  trans-56130.9178.7-75.8168.6172169.80113.1
516R43.1Very low50Low241 Ų241144.7 Ų144.791%0.90978%0.777SS**  -166.1138.2126.8-108171172.5-166.9-3.4111.2
517P43.7Very low48.2Very low129 Ų129146.4 Ų146.484%0.83878%0.784SS**PPolyproline II helixtrans-83.2130.2-176.820.3-7.2000111
518S42.7Very low46.9Very low117 Ų117148.4 Ų148.482%0.81879%0.794SS**PPolyproline II helixtrans-82.8129.8174.652.50000111.3
519D39.3Very low45.7Very low152 Ų152153.9 Ų153.981%0.81381%0.808SS**PPolyproline II helixtrans-75.1160.9155.9-156.7-7.9000109.8
520S40.5Very low44.4Very low111 Ų111148.3 Ų148.378%0.77680%0.802SS**  trans86.8114.9172.482.90000119
521S42.4Very low43.3Very low122 Ų122149.4 Ų149.485%0.85381%0.805SS**  trans-146.3110.6144.149.40000110.1
522R43.8Very low42.5Very low231 Ų231149.7 Ų149.787%0.87280%0.803SS**  trans-71160.8165-169179.4175.5-164.5-0.4109.8
523P43.3Very low42.5Very low116 Ų116155.7 Ų155.775%0.75380%0.804SS**  -139.1137127.428.2-10000111.5
524K41.5Very low42.7Very low174 Ų174161.4 Ų161.476%0.75780%0.801SS**  34.9113.795.1-86.7-169.9176.4-173.10111.2
525E42.5Very low43.1Very low157 Ų157164.6 Ų164.673%0.73480%0.799SS**  -179.2173.565.2-116.1161-157.400111.5
526H42.5Very low43.1Very low167 Ų167168 Ų16877%0.77382%0.818SS**  trans97.7112.4156.7-84.4-68.9000121.9
527E37.9Very low43.1Very low177 Ų177164.4 Ų164.483%0.82781%0.814SS**  trans-57.7139.9162.7-57171.6141.100112.3
528H44.3Very low43.1Very low179 Ų179166.3 Ų166.383%0.82981%0.813SS**  -161.3136.9126.1-129.3-77.9000111.6
529E42.7Very low43.1Very low179 Ų179169 Ų16984%0.83681%0.812SS**  trans-51.7158.6176.3-58.5179.3123.400114.7
530G42.3Very low43.3Very low65 Ų65170 Ų17067%0.6781%0.812SS**  128.799.412500000117.3
531K41.9Very low43.5Very low188 Ų188173.7 Ų173.782%0.81782%0.815SS**  trans70.2113.6133.3-70.4172.3-178.4163.20118.9
532K43Very low43.5Very low169 Ų169177.1 Ų177.174%0.73581%0.812SS**  72.6116.8119.7-73.8-177.9174.2176.80118.5
533R43.4Very low43.5Very low197 Ų197173.3 Ų173.374%0.74381%0.808SS**  81.2121.7122.5-72.3-179.7135-177.4-2.9118.5
534R47.3Very low43.5Very low200 Ų200177.7 Ų177.776%0.75581%0.812SS**  107.4127.7117.1-109.5-179.3168.9171.7-4.6117.4
535K52.8Low43.7Very low189 Ų189178 Ų17882%0.82282%0.817SS**  trans68136.8154.1-77.6-178.7162.8-170.30114.9
536E44Very low43.8Very low269 Ų269179.9 Ų179.9100%1.25782%0.824SS**  cis-97.6018.1-89.2163.5156.500117

Retrieved 536 of 536 residues in 110.1 ms (Link to these results)

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