A0A3Q0KSW7_SCHMA Loading...

Ribosome-binding protein 1 (Ribosome receptor protein) (MRRp), putative

AlphaFold DB , UniProt , Accession A0A3Q0KSW7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 762 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
1M39.6Very low52.5Low236 Ų236141.2 Ų141.2100%1.16374%0.735SS**  0111.50-72.5-171.874.600107.6
2T47.7Very low54.4Low137 Ų137143.6 Ų143.684%0.8473%0.729SS**  trans179132160.426.30000104E4T2-E4 PolarHBondContact O-N 3.09Å
3E45Very low56.3Low172 Ų172144.8 Ų144.880%0.80473%0.73SS**  trans-54138.5-169.6-71.4103.2159.400113.3T5E3-T5 PolarHBondContact O-N 3.12Å
4E47.3Very low58.1Low183 Ų183143.4 Ų143.486%0.85572%0.72SS**  trans-59.393.6148.3-69.7172.3135.700106.6T2 V6T2-E4 PolarHBondContact O-N 3.09Å; E4-V6 HydrophobicContact CB-CG2 4.27Å; E4-V6 PolarHBondContact O-N 2.91Å
5T50.1Low59.6Low118 Ų118140.5 Ų140.572%0.72470%0.703SS**  trans-64.185.9153.349.90000105.9E3 V7E3-T5 PolarHBondContact O-N 3.12Å; T5-V7 PolarHBondContact O-N 3.49Å
6V50.1Low61.1Low108 Ų108141.9 Ų141.966%0.65570%0.699SS**  trans-60.191.8159.4-178.20000104.4E4 E8E4-V6 HydrophobicContact CB-CG2 4.27Å; E4-V6 PolarHBondContact O-N 2.91Å; V6-E8 HydrophobicContact CG1-CG 3.99Å; V6-E8 PolarHBondContact O-N 3.32Å
7V50.8Low62.6Low114 Ų114135.6 Ų135.669%0.69168%0.679SS**  trans-66.286.7158.5-178.40000103.2T5 E9T5-V7 PolarHBondContact O-N 3.49Å; V7-E9 VanDerWaalsContact C-N 3.33Å; V7-E9 PolarHBondContact O-N 3.18Å
8E55.5Low63.9Low153 Ų153132.8 Ų132.872%0.71567%0.67SS**  trans-50.9112.3157-69.6-174.314900104.1V6 I10V6-E8 HydrophobicContact CG1-CG 3.99Å; V6-E8 PolarHBondContact O-N 3.32Å; E8-I10 PolarHBondContact O-N 3.49Å
9E55Low65.1Low185 Ų185130.6 Ų130.686%0.86466%0.659SS**  trans-62.791.6170.2-80-171.8139.100105.5V7 N11V7-E9 VanDerWaalsContact C-N 3.33Å; V7-E9 PolarHBondContact O-N 3.18Å; E9-N11 VanDerWaalsContact C-N 3.32Å; E9-N11 PolarHBondContact O-N 2.92Å
10I61.3Low66.4Low68 Ų68126.7 Ų126.735%0.34964%0.642SS.*  trans-57.9104.9174.8-73.2170.6000104.9E8 Y12 Q15E8-I10 PolarHBondContact O-N 3.49Å; I10-Y12 HydrophobicContact CB-CE1 4.39Å; I10-Y12 HydrophobicContact CB-CE2 4.27Å; I10-Y12 HydrophobicContact CG2-CD1 3.74Å; I10-Y12 HydrophobicContact CG2-CD2 4.3Å; I10-Y12 HydrophobicContact CG2-CE1 3.67Å; I10-Y12 HydrophobicContact CG2-CE2 4.25Å; I10-Y12 HydrophobicContact CG2-CG 4.06Å; I10-Y12 WeakPolarHBondContact O-CD2 3.36Å; I10-Y12 PolarHBondContact O-N 3.39Å; I10-Q15 HydrophobicContact CG2-CG 4.16Å
11N75Confident67.5Low79 Ų79125.7 Ų125.742%0.42264%0.635SS.*  trans-6886174.1-176.2-0.5000106.9E9 E13 E14 Q15E9-N11 VanDerWaalsContact C-N 3.32Å; E9-N11 PolarHBondContact O-N 2.92Å; N11-E13 PolarHBondContact O-N 2.93Å; N11-E14 HydrophobicContact CB-CB 3.93Å; N11-E14 VanDerWaalsContact CG-CB 3.46Å; N11-E14 VanDerWaalsContact ND2-CB 3.25Å; N11-E14 WeakPolarHBondContact ND2-CB 3.49Å; N11-E14 PolarHBondContact ND2-OE2 3.42Å; N11-E14 PolarHBondContact O-N 3.37Å; N11-E14 PolarHBondContact OD1-N 3.38Å; N11-Q15 PolarHBondContact O-N 2.72Å
12Y75.6Confident69.9Low170 Ų170119.6 Ų119.667%0.66760%0.604SS**Hα-helixtrans-59.1-34.8-174.9-71.9-75.8000110.9I10 E14 Y16I10-Y12 HydrophobicContact CB-CE1 4.39Å; I10-Y12 HydrophobicContact CB-CE2 4.27Å; I10-Y12 HydrophobicContact CG2-CD1 3.74Å; I10-Y12 HydrophobicContact CG2-CD2 4.3Å; I10-Y12 HydrophobicContact CG2-CE1 3.67Å; I10-Y12 HydrophobicContact CG2-CE2 4.25Å; I10-Y12 HydrophobicContact CG2-CG 4.06Å; I10-Y12 WeakPolarHBondContact O-CD2 3.36Å; I10-Y12 PolarHBondContact O-N 3.39Å; Y12-E14 PolarHBondContact O-N 3.12Å; Y12-Y16 WeakPolarHBondContact O-CB 3.42Å; Y12-Y16 PolarHBondContact O-N 2.7Å
13E79.5Confident72Confident160 Ų160117.1 Ų117.175%0.74859%0.586SS**Hα-helixtrans-56.4-45.4169.9-105.670.2-152.400112.8N11 G17N11-E13 PolarHBondContact O-N 2.93Å; E13-G17 PolarHBondContact O-N 2.76Å
14E81.1Confident74.3Confident125 Ų125113.7 Ų113.758%0.58457%0.568SS**Hα-helixtrans-76.1-41.9-177.8-176.5169.1-157.500112.2N11 Y12 Y16 G17 V18N11-E14 HydrophobicContact CB-CB 3.93Å; N11-E14 VanDerWaalsContact CG-CB 3.46Å; N11-E14 VanDerWaalsContact ND2-CB 3.25Å; N11-E14 WeakPolarHBondContact ND2-CB 3.49Å; N11-E14 PolarHBondContact ND2-OE2 3.42Å; N11-E14 PolarHBondContact O-N 3.37Å; N11-E14 PolarHBondContact OD1-N 3.38Å; Y12-E14 PolarHBondContact O-N 3.12Å; E14-Y16 VanDerWaalsContact C-N 3.3Å; E14-Y16 PolarHBondContact O-N 3.32Å; E14-G17 PolarHBondContact O-N 3.22Å; E14-V18 WeakPolarHBondContact O-CG2 3.39Å; E14-V18 PolarHBondContact O-N 3.06Å
15Q81.2Confident76.5Confident99 Ų99111.5 Ų111.546%0.46356%0.556SS.*Hα-helixtrans-60.3-40.6169.9-75-165.1-3.200111.7I10 N11 V18 L19I10-Q15 HydrophobicContact CG2-CG 4.16Å; N11-Q15 PolarHBondContact O-N 2.72Å; Q15-V18 PolarHBondContact O-N 2.86Å; Q15-L19 WeakPolarHBondContact O-CB 3.36Å; Q15-L19 VanDerWaalsContact O-CG 3.29Å; Q15-L19 WeakPolarHBondContact O-CG 3.1Å; Q15-L19 PolarHBondContact O-N 2.89Å
16Y83.3Confident78.6Confident164 Ų164110.4 Ų110.464%0.64355%0.545SS*.Hα-helixtrans-66.1-39.7175.4-164.7-90.7000111.3Y12 E14 L19 V20Y12-Y16 WeakPolarHBondContact O-CB 3.42Å; Y12-Y16 PolarHBondContact O-N 2.7Å; E14-Y16 VanDerWaalsContact C-N 3.3Å; E14-Y16 PolarHBondContact O-N 3.32Å; Y16-L19 PolarHBondContact O-N 3.4Å; Y16-V20 HydrophobicContact CD1-CG2 3.77Å; Y16-V20 HydrophobicContact CE1-CG2 3.61Å; Y16-V20 WeakPolarHBondContact O-CB 3.47Å; Y16-V20 VanDerWaalsContact O-CG2 3.22Å; Y16-V20 WeakPolarHBondContact O-CG2 3.3Å; Y16-V20 PolarHBondContact O-N 2.99Å
17G85.5Confident80.7Confident34 Ų34111.8 Ų111.835%0.35154%0.542SS..Hα-helixtrans-58-47.9172.100000112.8E13 E14 V20 E21E13-G17 PolarHBondContact O-N 2.76Å; E14-G17 PolarHBondContact O-N 3.22Å; G17-V20 PolarHBondContact O-N 2.88Å; G17-E21 PolarHBondContact O-N 2.88Å
18V86Confident82.7Confident85 Ų85111.5 Ų111.552%0.51554%0.535SS..Hα-helixtrans-61-48.2175172.60000111E14 Q15 V20 E21 E22E14-V18 WeakPolarHBondContact O-CG2 3.39Å; E14-V18 PolarHBondContact O-N 3.06Å; Q15-V18 PolarHBondContact O-N 2.86Å; V18-V20 VanDerWaalsContact C-N 3.28Å; V18-V20 PolarHBondContact O-N 2.79Å; V18-E21 PolarHBondContact O-N 3.04Å; V18-E22 PolarHBondContact O-N 3.46Å
19L87.8Confident84.6Confident91 Ų91107.7 Ų107.748%0.47652%0.52SS..Hα-helixtrans-63.1-31.2177.8-75.1169.2000113.2Q15 Y16 N23Q15-L19 WeakPolarHBondContact O-CB 3.36Å; Q15-L19 VanDerWaalsContact O-CG 3.29Å; Q15-L19 WeakPolarHBondContact O-CG 3.1Å; Q15-L19 PolarHBondContact O-N 2.89Å; Y16-L19 PolarHBondContact O-N 3.4Å; L19-N23 VanDerWaalsContact O-CB 3.29Å; L19-N23 WeakPolarHBondContact O-CB 3.48Å; L19-N23 PolarHBondContact O-N 2.9Å; L19-N23 PolarHBondContact O-ND2 3.05Å
20V90.6Very high86.5Confident53 Ų53103 Ų10332%0.32150%0.5SS..Hα-helixtrans-71.2-43174.61640000111.1Y16 G17 V18 N23 K24Y16-V20 HydrophobicContact CD1-CG2 3.77Å; Y16-V20 HydrophobicContact CE1-CG2 3.61Å; Y16-V20 WeakPolarHBondContact O-CB 3.47Å; Y16-V20 VanDerWaalsContact O-CG2 3.22Å; Y16-V20 WeakPolarHBondContact O-CG2 3.3Å; Y16-V20 PolarHBondContact O-N 2.99Å; G17-V20 PolarHBondContact O-N 2.88Å; V18-V20 VanDerWaalsContact C-N 3.28Å; V18-V20 PolarHBondContact O-N 2.79Å; V20-N23 PolarHBondContact O-N 3.42Å; V20-K24 HydrophobicContact CG1-CD 4.43Å; V20-K24 WeakPolarHBondContact O-CG 3.43Å; V20-K24 PolarHBondContact O-N 3.36Å
21E89.6Confident88Confident105 Ų105102.6 Ų102.649%0.49150%0.503SS..Hα-helixtrans-70.5-37.8175-70.4-54.2146.400112.6G17 V18 N23 K24 K25G17-E21 PolarHBondContact O-N 2.88Å; V18-E21 PolarHBondContact O-N 3.04Å; E21-N23 VanDerWaalsContact C-N 3.33Å; E21-N23 PolarHBondContact O-N 3.06Å; E21-K24 PolarHBondContact O-N 3.46Å; E21-K24 WeakPolarHBondContact OE1-CD 3.38Å; E21-K24 IonicContact OE1-NZ 2.8Å; E21-K24 PolarHBondContact OE1-NZ 3.22Å; E21-K24 WeakPolarHBondContact OE2-CD 3.45Å; E21-K24 IonicContact OE2-NZ 2.87Å; E21-K25 WeakPolarHBondContact O-CB 3.48Å; E21-K25 PolarHBondContact O-N 2.85Å
22E90.2Very high88.9Confident109 Ų109101.9 Ų101.951%0.50950%0.504SS..Hα-helixtrans-60.5-41.7168.5-78.3-159.713200111.6V18 K24 K25 L26V18-E22 PolarHBondContact O-N 3.46Å; E22-K24 PolarHBondContact O-N 3.39Å; E22-K25 PolarHBondContact O-N 3.14Å; E22-L26 WeakPolarHBondContact O-CB 3.41Å; E22-L26 VanDerWaalsContact O-CG 3.27Å; E22-L26 WeakPolarHBondContact O-CG 3.43Å; E22-L26 PolarHBondContact O-N 3.26Å
23N92.1Very high89.8Confident84 Ų8499.1 Ų99.145%0.44950%0.501SS..Hα-helixtrans-63.4-38.4174.5-98.5-88.1000112.9L19 V20 E21 K27L19-N23 VanDerWaalsContact O-CB 3.29Å; L19-N23 WeakPolarHBondContact O-CB 3.48Å; L19-N23 PolarHBondContact O-N 2.9Å; L19-N23 PolarHBondContact O-ND2 3.05Å; V20-N23 PolarHBondContact O-N 3.42Å; E21-N23 VanDerWaalsContact C-N 3.33Å; E21-N23 PolarHBondContact O-N 3.06Å; N23-K27 WeakPolarHBondContact O-CB 3.39Å; N23-K27 VanDerWaalsContact O-CG 3.27Å; N23-K27 WeakPolarHBondContact O-CG 3.09Å; N23-K27 PolarHBondContact O-N 3.34Å
24K93.2Very high90.6Very high101 Ų10196.8 Ų96.844%0.43949%0.489SS..Hα-helixtrans-64.4-46.5173.7-74.7166.1178178.20110.6V20 E21 E22 K27 I28V20-K24 HydrophobicContact CG1-CD 4.43Å; V20-K24 WeakPolarHBondContact O-CG 3.43Å; V20-K24 PolarHBondContact O-N 3.36Å; E21-K24 PolarHBondContact O-N 3.46Å; E21-K24 WeakPolarHBondContact OE1-CD 3.38Å; E21-K24 IonicContact OE1-NZ 2.8Å; E21-K24 PolarHBondContact OE1-NZ 3.22Å; E21-K24 WeakPolarHBondContact OE2-CD 3.45Å; E21-K24 IonicContact OE2-NZ 2.87Å; E22-K24 PolarHBondContact O-N 3.39Å; K24-K27 PolarHBondContact O-N 2.87Å; K24-I28 WeakPolarHBondContact O-CG1 3.35Å; K24-I28 PolarHBondContact O-N 2.83Å
25K93.8Very high91.1Very high137 Ų13796.3 Ų96.360%0.59649%0.49SS*.Hα-helixtrans-59.5-50.8176.7-171.7-177177.1-171.70111.5E21 E22 K27 I28 D29E21-K25 WeakPolarHBondContact O-CB 3.48Å; E21-K25 PolarHBondContact O-N 2.85Å; E22-K25 PolarHBondContact O-N 3.14Å; K25-K27 VanDerWaalsContact C-N 3.31Å; K25-K27 PolarHBondContact O-N 2.81Å; K25-I28 CarbonylContact O-C 3.6Å; K25-I28 WeakPolarHBondContact O-CA 3.25Å; K25-I28 WeakPolarHBondContact O-CB 3.27Å; K25-I28 PolarHBondContact O-N 3.22Å; K25-D29 PolarHBondContact O-N 2.66Å
26L93.4Very high91.8Very high95 Ų9594.4 Ų94.450%0.49749%0.488SS..Hα-helixtrans-58.7-39175.5-73.3169.5000112.3E22 D29 I30E22-L26 WeakPolarHBondContact O-CB 3.41Å; E22-L26 VanDerWaalsContact O-CG 3.27Å; E22-L26 WeakPolarHBondContact O-CG 3.43Å; E22-L26 PolarHBondContact O-N 3.26Å; L26-D29 PolarHBondContact O-N 2.88Å; L26-I30 VanDerWaalsContact O-CB 3.28Å; L26-I30 WeakPolarHBondContact O-CB 3.37Å; L26-I30 WeakPolarHBondContact O-CD1 3.32Å; L26-I30 WeakPolarHBondContact O-CG1 3.46Å; L26-I30 PolarHBondContact O-N 3.23Å
27K94Very high92.3Very high137 Ų13791.4 Ų91.460%0.59648%0.483SS*.Hα-helixtrans-64.1-39.3173.2-79.6173.2-179.4175.30112.5N23 K24 K25 S31N23-K27 WeakPolarHBondContact O-CB 3.39Å; N23-K27 VanDerWaalsContact O-CG 3.27Å; N23-K27 WeakPolarHBondContact O-CG 3.09Å; N23-K27 PolarHBondContact O-N 3.34Å; K24-K27 PolarHBondContact O-N 2.87Å; K25-K27 VanDerWaalsContact C-N 3.31Å; K25-K27 PolarHBondContact O-N 2.81Å; K27-S31 VanDerWaalsContact O-CB 3.31Å; K27-S31 WeakPolarHBondContact O-CB 3.43Å; K27-S31 PolarHBondContact O-N 2.96Å; K27-S31 PolarHBondContact O-OG 3.02Å
28I93.2Very high92.8Very high107 Ų10798.1 Ų98.155%0.54950%0.498SS..Hα-helixtrans-67.4-44.6175.6-67.9162.8000110.4K24 K25 S31 S32K24-I28 WeakPolarHBondContact O-CG1 3.35Å; K24-I28 PolarHBondContact O-N 2.83Å; K25-I28 CarbonylContact O-C 3.6Å; K25-I28 WeakPolarHBondContact O-CA 3.25Å; K25-I28 WeakPolarHBondContact O-CB 3.27Å; K25-I28 PolarHBondContact O-N 3.22Å; I28-S31 PolarHBondContact O-N 3.4Å; I28-S32 WeakPolarHBondContact O-CB 3.4Å; I28-S32 PolarHBondContact O-N 3.43Å; I28-S32 PolarHBondContact O-OG 2.98Å
29D94.6Very high93.2Very high73 Ų7397.6 Ų97.639%0.3950%0.498SS..Hα-helixtrans-63.9-46178.4-68.3-22.4000111.1K25 L26 S31 S32 L33K25-D29 PolarHBondContact O-N 2.66Å; L26-D29 PolarHBondContact O-N 2.88Å; D29-S31 PolarHBondContact O-N 3.49Å; D29-S32 PolarHBondContact O-N 3.16Å; D29-L33 WeakPolarHBondContact O-CB 3.35Å; D29-L33 WeakPolarHBondContact O-CG 3.44Å; D29-L33 PolarHBondContact O-N 2.83Å
30I94.7Very high93.6Very high88 Ų8896.9 Ų96.945%0.45150%0.495SS..Hα-helixtrans-59.3-45.1173.5-72164.7000110.9L26 S32 L33 Q34L26-I30 VanDerWaalsContact O-CB 3.28Å; L26-I30 WeakPolarHBondContact O-CB 3.37Å; L26-I30 WeakPolarHBondContact O-CD1 3.32Å; L26-I30 WeakPolarHBondContact O-CG1 3.46Å; L26-I30 PolarHBondContact O-N 3.23Å; I30-S32 VanDerWaalsContact C-N 3.32Å; I30-S32 PolarHBondContact O-N 2.79Å; I30-L33 PolarHBondContact O-N 2.99Å; I30-Q34 HydrophobicContact CG2-CG 4.42Å; I30-Q34 WeakPolarHBondContact O-CB 3.43Å; I30-Q34 VanDerWaalsContact O-CG 3.24Å; I30-Q34 WeakPolarHBondContact O-CG 3.32Å; I30-Q34 PolarHBondContact O-N 3.25Å
31S94.3Very high93.8Very high59 Ų5998.9 Ų98.941%0.41351%0.507SS..Hα-helixtrans-62.9-40177.8-59.10000111.6K27 I28 D29 Q34 L35K27-S31 VanDerWaalsContact O-CB 3.31Å; K27-S31 WeakPolarHBondContact O-CB 3.43Å; K27-S31 PolarHBondContact O-N 2.96Å; K27-S31 PolarHBondContact O-OG 3.02Å; I28-S31 PolarHBondContact O-N 3.4Å; D29-S31 PolarHBondContact O-N 3.49Å; S31-Q34 PolarHBondContact O-N 2.92Å; S31-L35 WeakPolarHBondContact O-CG 3.42Å; S31-L35 PolarHBondContact O-N 3.44Å
32S94.3Very high94Very high63 Ų6398.3 Ų98.344%0.44151%0.507SS..Hα-helixtrans-68.1-42.1177.9-570000111.8I28 D29 I30 L35 S36I28-S32 WeakPolarHBondContact O-CB 3.4Å; I28-S32 PolarHBondContact O-N 3.43Å; I28-S32 PolarHBondContact O-OG 2.98Å; D29-S32 PolarHBondContact O-N 3.16Å; I30-S32 VanDerWaalsContact C-N 3.32Å; I30-S32 PolarHBondContact O-N 2.79Å; S32-L35 PolarHBondContact O-N 3.41Å; S32-S36 WeakPolarHBondContact O-CB 3.27Å; S32-S36 PolarHBondContact O-N 3.38Å
33L94.5Very high94.3Very high113 Ų11397.6 Ų97.659%0.59250%0.504SS*.Hα-helixtrans-64-38.1172.5-73.4171.7000112.1D29 I30 S36 N37D29-L33 WeakPolarHBondContact O-CB 3.35Å; D29-L33 WeakPolarHBondContact O-CG 3.44Å; D29-L33 PolarHBondContact O-N 2.83Å; I30-L33 PolarHBondContact O-N 2.99Å; L33-S36 PolarHBondContact O-N 3.25Å; L33-N37 WeakPolarHBondContact O-CB 3.19Å; L33-N37 PolarHBondContact O-N 2.89Å
34Q94.4Very high94.4Very high110 Ų11098.4 Ų98.451%0.51451%0.508SS..Hα-helixtrans-66.3-40.6174.8-75.81765.600112.2I30 S31 R38I30-Q34 HydrophobicContact CG2-CG 4.42Å; I30-Q34 WeakPolarHBondContact O-CB 3.43Å; I30-Q34 VanDerWaalsContact O-CG 3.24Å; I30-Q34 WeakPolarHBondContact O-CG 3.32Å; I30-Q34 PolarHBondContact O-N 3.25Å; S31-Q34 PolarHBondContact O-N 2.92Å; Q34-R38 WeakPolarHBondContact O-CB 3.45Å; Q34-R38 WeakPolarHBondContact O-CG 3.34Å; Q34-R38 PolarHBondContact O-N 3.43Å
35L93.5Very high94.5Very high115 Ų115102.5 Ų102.560%0.60252%0.52SS*.Hα-helixtrans-65.3-44173.5-72.1169.3000111.5S31 S32 R38 S39S31-L35 WeakPolarHBondContact O-CG 3.42Å; S31-L35 PolarHBondContact O-N 3.44Å; S32-L35 PolarHBondContact O-N 3.41Å; L35-R38 PolarHBondContact O-N 3.1Å; L35-S39 PolarHBondContact O-N 3.09Å
36S94.2Very high94.6Very high60 Ų60100.4 Ų100.442%0.4252%0.516SS..Hα-helixtrans-60.7-47.7175.4-174.40000111.9S32 L33 R38 S39 L40S32-S36 WeakPolarHBondContact O-CB 3.27Å; S32-S36 PolarHBondContact O-N 3.38Å; L33-S36 PolarHBondContact O-N 3.25Å; S36-R38 PolarHBondContact O-N 3.27Å; S36-S39 WeakPolarHBondContact O-CA 3.41Å; S36-S39 WeakPolarHBondContact O-CB 3.38Å; S36-S39 PolarHBondContact O-N 3.48Å; S36-S39 VanDerWaalsContact O-N 3.11Å; S36-L40 PolarHBondContact O-N 2.85Å
37N95.2Very high94.7Very high101 Ų101100 Ų10054%0.5451%0.511SS..Hα-helixtrans-61.4-39.9174.7-89.9-23.7000112.5L33 S39 L40 V41L33-N37 WeakPolarHBondContact O-CB 3.19Å; L33-N37 PolarHBondContact O-N 2.89Å; N37-S39 VanDerWaalsContact C-N 3.33Å; N37-S39 PolarHBondContact O-N 2.97Å; N37-L40 PolarHBondContact O-N 3.33Å; N37-V41 WeakPolarHBondContact O-CB 3.45Å; N37-V41 VanDerWaalsContact O-CG2 3.25Å; N37-V41 WeakPolarHBondContact O-CG2 3.39Å; N37-V41 PolarHBondContact O-N 3.47Å
38R95Very high94.8Very high175 Ų175101.3 Ų101.366%0.6652%0.517SS*.Hα-helixtrans-62.3-40.7173.1-77.4177.4178.8-173.91.9111.8Q34 L35 S36 N42Q34-R38 WeakPolarHBondContact O-CB 3.45Å; Q34-R38 WeakPolarHBondContact O-CG 3.34Å; Q34-R38 PolarHBondContact O-N 3.43Å; L35-R38 PolarHBondContact O-N 3.1Å; S36-R38 PolarHBondContact O-N 3.27Å; R38-N42 WeakPolarHBondContact O-CB 3.5Å; R38-N42 VanDerWaalsContact O-CG 3.28Å; R38-N42 PolarHBondContact O-N 2.87Å; R38-N42 PolarHBondContact O-ND2 2.81Å
39S94.8Very high94.9Very high74 Ų74102.2 Ų102.252%0.51752%0.517SS..Hα-helixtrans-62.5-49.5175.5-169.80000111.5L35 S36 N37 V41 N42 Q43L35-S39 PolarHBondContact O-N 3.09Å; S36-S39 WeakPolarHBondContact O-CA 3.41Å; S36-S39 WeakPolarHBondContact O-CB 3.38Å; S36-S39 PolarHBondContact O-N 3.48Å; S36-S39 VanDerWaalsContact O-N 3.11Å; N37-S39 VanDerWaalsContact C-N 3.33Å; N37-S39 PolarHBondContact O-N 2.97Å; S39-V41 PolarHBondContact O-N 3.38Å; S39-N42 PolarHBondContact O-N 2.91Å; S39-Q43 WeakPolarHBondContact O-CB 3.4Å; S39-Q43 PolarHBondContact O-N 3.1Å
40L95.4Very high95Very high76 Ų76105.1 Ų105.140%0.39853%0.526SS..Hα-helixtrans-61.8-39.3176.7-74.7169.3000112.9S36 N37 Q43 N44S36-L40 PolarHBondContact O-N 2.85Å; N37-L40 PolarHBondContact O-N 3.33Å; L40-Q43 PolarHBondContact O-N 3.14Å; L40-N44 WeakPolarHBondContact O-CB 3.36Å; L40-N44 PolarHBondContact O-N 3.45Å; L40-N44 PolarHBondContact O-ND2 2.8Å
41V95.2Very high95.1Very high95 Ų95104.5 Ų104.558%0.57653%0.527SS*.Hα-helixtrans-65.9-40.8176.1167.10000111.2N37 S39 R45N37-V41 WeakPolarHBondContact O-CB 3.45Å; N37-V41 VanDerWaalsContact O-CG2 3.25Å; N37-V41 WeakPolarHBondContact O-CG2 3.39Å; N37-V41 PolarHBondContact O-N 3.47Å; S39-V41 PolarHBondContact O-N 3.38Å; V41-R45 WeakPolarHBondContact O-CB 3.41Å; V41-R45 PolarHBondContact O-N 3.47Å
42N94.5Very high95.1Very high92 Ų92106.9 Ų106.949%0.49253%0.532SS..Hα-helixtrans-66.1-45.3174.8-71.7-18.7000111.4R38 S39 N44 R45 D46R38-N42 WeakPolarHBondContact O-CB 3.5Å; R38-N42 VanDerWaalsContact O-CG 3.28Å; R38-N42 PolarHBondContact O-N 2.87Å; R38-N42 PolarHBondContact O-ND2 2.81Å; S39-N42 PolarHBondContact O-N 2.91Å; N42-N44 PolarHBondContact O-N 2.95Å; N42-R45 WeakPolarHBondContact O-CB 3.25Å; N42-R45 PolarHBondContact O-N 3.21Å; N42-R45 VanDerWaalsContact O-N 3.11Å; N42-D46 PolarHBondContact O-N 3.04Å
43Q95.3Very high95.2Very high95 Ų95106.8 Ų106.844%0.44453%0.527SS..Hα-helixtrans-58.3-49.2175.6-179.6179.8-1200111.7S39 L40 R45 D46 E47S39-Q43 WeakPolarHBondContact O-CB 3.4Å; S39-Q43 PolarHBondContact O-N 3.1Å; L40-Q43 PolarHBondContact O-N 3.14Å; Q43-R45 PolarHBondContact O-N 3.08Å; Q43-D46 PolarHBondContact O-N 3.21Å; Q43-D46 VanDerWaalsContact O-N 3.16Å; Q43-E47 HydrophobicContact CG-CG 4.42Å; Q43-E47 VanDerWaalsContact CG-OE1 3.29Å; Q43-E47 WeakPolarHBondContact CG-OE1 3.45Å; Q43-E47 PolarHBondContact NE2-OE1 2.89Å; Q43-E47 WeakPolarHBondContact O-CB 3.5Å; Q43-E47 WeakPolarHBondContact O-CG 3.43Å; Q43-E47 PolarHBondContact O-N 3.07Å
44N96Very high95.3Very high100 Ų100104.4 Ų104.454%0.53552%0.519SS..Hα-helixtrans-59.4-34.6175.8-85.2-75.1000112.4L40 N42 K48L40-N44 WeakPolarHBondContact O-CB 3.36Å; L40-N44 PolarHBondContact O-N 3.45Å; L40-N44 PolarHBondContact O-ND2 2.8Å; N42-N44 PolarHBondContact O-N 2.95Å; N44-K48 WeakPolarHBondContact O-CB 3.22Å; N44-K48 PolarHBondContact O-N 2.91Å
45R95.2Very high95.4Very high187 Ų187107.9 Ų107.971%0.70653%0.527SS*.Hα-helixtrans-68.4-42.7176.1-174.4179.5-177.6170.60.9111.7V41 N42 Q43 K48 K49V41-R45 WeakPolarHBondContact O-CB 3.41Å; V41-R45 PolarHBondContact O-N 3.47Å; N42-R45 WeakPolarHBondContact O-CB 3.25Å; N42-R45 PolarHBondContact O-N 3.21Å; N42-R45 VanDerWaalsContact O-N 3.11Å; Q43-R45 PolarHBondContact O-N 3.08Å; R45-K48 PolarHBondContact O-N 2.93Å; R45-K49 PolarHBondContact O-N 2.7Å
46D95Very high95.4Very high94 Ų94107.7 Ų107.750%0.50353%0.526SS..Hα-helixtrans-70.1-39.2177.7-70.8-21.1000112N42 Q43 K49 K50N42-D46 PolarHBondContact O-N 3.04Å; Q43-D46 PolarHBondContact O-N 3.21Å; Q43-D46 VanDerWaalsContact O-N 3.16Å; D46-K49 WeakPolarHBondContact O-CB 3.4Å; D46-K49 PolarHBondContact O-N 3.05Å; D46-K50 WeakPolarHBondContact O-CG 3.27Å; D46-K50 PolarHBondContact O-N 3.4Å
47E95.3Very high95.5Very high85 Ų85110.6 Ų110.640%0.39753%0.534SS..Hα-helixtrans-64-44.4172.2-74175.3-168.200111.6Q43 K49 K50 V51Q43-E47 HydrophobicContact CG-CG 4.42Å; Q43-E47 VanDerWaalsContact CG-OE1 3.29Å; Q43-E47 WeakPolarHBondContact CG-OE1 3.45Å; Q43-E47 PolarHBondContact NE2-OE1 2.89Å; Q43-E47 WeakPolarHBondContact O-CB 3.5Å; Q43-E47 WeakPolarHBondContact O-CG 3.43Å; Q43-E47 PolarHBondContact O-N 3.07Å; E47-K49 VanDerWaalsContact C-N 3.27Å; E47-K49 PolarHBondContact O-N 2.91Å; E47-K50 PolarHBondContact O-N 3.37Å; E47-V51 WeakPolarHBondContact O-CG2 3.5Å; E47-V51 PolarHBondContact O-N 3.42Å
48K95.7Very high95.5Very high165 Ų165110 Ų11072%0.71753%0.53SS*.Hα-helixtrans-60.6-36.3173.9-175.4173.5-178.9176.10112.1N44 R45 M52N44-K48 WeakPolarHBondContact O-CB 3.22Å; N44-K48 PolarHBondContact O-N 2.91Å; R45-K48 PolarHBondContact O-N 2.93Å; K48-M52 PolarHBondContact O-N 2.87Å
49K96.2Very high95.5Very high127 Ų127104.4 Ų104.455%0.55252%0.521SS*.Hα-helixtrans-64.8-50.7172.9-171.8-176.2174.9-173.80111.1R45 D46 E47 V51 M52 D53R45-K49 PolarHBondContact O-N 2.7Å; D46-K49 WeakPolarHBondContact O-CB 3.4Å; D46-K49 PolarHBondContact O-N 3.05Å; E47-K49 VanDerWaalsContact C-N 3.27Å; E47-K49 PolarHBondContact O-N 2.91Å; K49-V51 VanDerWaalsContact C-N 3.31Å; K49-V51 PolarHBondContact O-N 2.93Å; K49-M52 WeakPolarHBondContact O-CA 3.46Å; K49-M52 WeakPolarHBondContact O-CB 3.32Å; K49-M52 PolarHBondContact O-N 3.43Å; K49-D53 PolarHBondContact O-N 3.49Å
50K96.5Very high95.5Very high133 Ų133105 Ų10558%0.57852%0.518SS*.Hα-helixtrans-54.5-44.5175.5-69.7167.8-175.1172.70112.1D46 E47 M52 D53 C54D46-K50 WeakPolarHBondContact O-CG 3.27Å; D46-K50 PolarHBondContact O-N 3.4Å; E47-K50 PolarHBondContact O-N 3.37Å; K50-M52 VanDerWaalsContact C-N 3.32Å; K50-M52 PolarHBondContact O-N 3.3Å; K50-D53 PolarHBondContact O-N 2.87Å; K50-C54 WeakPolarHBondContact O-CB 3.32Å; K50-C54 PolarHBondContact O-N 3.18Å; K50-C54 PolarHBondContact O-SG 3.17Å
51V96.2Very high95.5Very high76 Ų76106.1 Ų106.146%0.46152%0.524SS..Hα-helixtrans-63-37.5176.6170.50000111.9E47 K49 R55E47-V51 WeakPolarHBondContact O-CG2 3.5Å; E47-V51 PolarHBondContact O-N 3.42Å; K49-V51 VanDerWaalsContact C-N 3.31Å; K49-V51 PolarHBondContact O-N 2.93Å; V51-R55 VanDerWaalsContact O-CG 3.29Å; V51-R55 WeakPolarHBondContact O-CG 3.43Å; V51-R55 PolarHBondContact O-N 2.83Å
52M95.6Very high95.5Very high109 Ų109107 Ų10754%0.53752%0.521SS..Hα-helixtrans-67.3-44.7175-167.9-17679.200111.6K48 K49 K50 C54 R55 L56K48-M52 PolarHBondContact O-N 2.87Å; K49-M52 WeakPolarHBondContact O-CA 3.46Å; K49-M52 WeakPolarHBondContact O-CB 3.32Å; K49-M52 PolarHBondContact O-N 3.43Å; K50-M52 VanDerWaalsContact C-N 3.32Å; K50-M52 PolarHBondContact O-N 3.3Å; M52-C54 PolarHBondContact O-N 2.92Å; M52-R55 PolarHBondContact O-N 3.49Å; M52-L56 PolarHBondContact O-N 3.28Å
53D95.5Very high95.5Very high60 Ų60104.6 Ų104.632%0.32152%0.518SS..Hα-helixtrans-62.4-42.7177.4-63.2-22.6000110.7K49 K50 R55 L56 Q57K49-D53 PolarHBondContact O-N 3.49Å; K50-D53 PolarHBondContact O-N 2.87Å; D53-R55 PolarHBondContact O-N 2.92Å; D53-L56 PolarHBondContact O-N 2.83Å; D53-Q57 WeakPolarHBondContact O-CG 3.37Å; D53-Q57 PolarHBondContact O-N 3.44Å
54C96.6Very high95.5Very high64 Ų64107.2 Ų107.243%0.43252%0.524SS..Hα-helixtrans-62.5-39172.9-69.50000112.8K50 M52 Q57 I58K50-C54 WeakPolarHBondContact O-CB 3.32Å; K50-C54 PolarHBondContact O-N 3.18Å; K50-C54 PolarHBondContact O-SG 3.17Å; M52-C54 PolarHBondContact O-N 2.92Å; C54-Q57 PolarHBondContact O-N 3.38Å; C54-I58 VanDerWaalsContact O-CG1 3.27Å; C54-I58 WeakPolarHBondContact O-CG1 3.46Å; C54-I58 PolarHBondContact O-N 3.19Å
55R95.9Very high95.4Very high182 Ų182107.9 Ų107.969%0.68753%0.527SS*.Hα-helixtrans-64.3-39175.5-77.5172.6179.1-168-1.1112.2V51 M52 D53 I58 A59V51-R55 VanDerWaalsContact O-CG 3.29Å; V51-R55 WeakPolarHBondContact O-CG 3.43Å; V51-R55 PolarHBondContact O-N 2.83Å; M52-R55 PolarHBondContact O-N 3.49Å; D53-R55 PolarHBondContact O-N 2.92Å; R55-I58 PolarHBondContact O-N 3.05Å; R55-A59 PolarHBondContact O-N 2.85Å
56L94.9Very high95.3Very high111 Ų111106.4 Ų106.458%0.58153%0.526SS*.Hα-helixtrans-66.2-41174.7-70.4169.3000111.5M52 D53 A59 D60M52-L56 PolarHBondContact O-N 3.28Å; D53-L56 PolarHBondContact O-N 2.83Å; L56-A59 PolarHBondContact O-N 3.44Å; L56-D60 PolarHBondContact O-N 2.94Å
57Q96.4Very high95.2Very high122 Ų122104.7 Ų104.757%0.5753%0.525SS*.Hα-helixtrans-63.9-40.3174.1-72.1174.2-1.200112.6D53 C54 D60 L61D53-Q57 WeakPolarHBondContact O-CG 3.37Å; D53-Q57 PolarHBondContact O-N 3.44Å; C54-Q57 PolarHBondContact O-N 3.38Å; Q57-D60 PolarHBondContact O-N 2.84Å; Q57-L61 WeakPolarHBondContact O-CB 3.49Å; Q57-L61 VanDerWaalsContact O-CG 3.27Å; Q57-L61 WeakPolarHBondContact O-CG 3.49Å; Q57-L61 PolarHBondContact O-N 3.38Å
58I94.8Very high95.1Very high89 Ų89107 Ų10746%0.45653%0.533SS..Hα-helixtrans-62.7-44.9174.9-70.6163.7000110.3C54 R55 D60 L61 E62C54-I58 VanDerWaalsContact O-CG1 3.27Å; C54-I58 WeakPolarHBondContact O-CG1 3.46Å; C54-I58 PolarHBondContact O-N 3.19Å; R55-I58 PolarHBondContact O-N 3.05Å; I58-D60 PolarHBondContact O-N 3.24Å; I58-L61 PolarHBondContact O-N 2.96Å; I58-E62 HydrophobicContact CG2-CG 4.29Å; I58-E62 WeakPolarHBondContact CG2-OE1 3.22Å; I58-E62 WeakPolarHBondContact O-CB 3.31Å; I58-E62 WeakPolarHBondContact O-CG 3.36Å; I58-E62 PolarHBondContact O-N 3.29Å
59A94.4Very high95Very high57 Ų57102.9 Ų102.947%0.47152%0.519SS..Hα-helixtrans-63.4-38.2177.700000113.3R55 L56 G63R55-A59 PolarHBondContact O-N 2.85Å; L56-A59 PolarHBondContact O-N 3.44Å; A59-G63 PolarHBondContact O-N 3.06Å
60D94.7Very high94.9Very high85 Ų8599.1 Ų99.146%0.45551%0.512SS..Hα-helixtrans-60.7-49.6170.6174.566000111.3L56 Q57 I58 E62 G63 R64L56-D60 PolarHBondContact O-N 2.94Å; Q57-D60 PolarHBondContact O-N 2.84Å; I58-D60 PolarHBondContact O-N 3.24Å; D60-E62 PolarHBondContact O-N 2.97Å; D60-G63 PolarHBondContact O-N 3.09Å; D60-R64 WeakPolarHBondContact O-CB 3.42Å; D60-R64 VanDerWaalsContact O-CG 3.3Å; D60-R64 WeakPolarHBondContact O-CG 3.38Å; D60-R64 PolarHBondContact O-N 2.89Å; D60-R64 WeakPolarHBondContact OD1-CD 3.34Å; D60-R64 WeakPolarHBondContact OD2-CD 3.47Å; D60-R64 IonicContact OD2-CZ 2.78Å; D60-R64 IonicContact OD2-NH1 3.5Å; D60-R64 PolarHBondContact OD2-NH1 2.98Å; D60-R64 VanDerWaalsContact OD2-NH1 3.08Å
61L95.8Very high94.7Very high100 Ų10096.3 Ų96.352%0.52451%0.506SS..Hα-helixtrans-62.3-41-179.9-71171.8000112Q57 I58 R64 L65Q57-L61 WeakPolarHBondContact O-CB 3.49Å; Q57-L61 VanDerWaalsContact O-CG 3.27Å; Q57-L61 WeakPolarHBondContact O-CG 3.49Å; Q57-L61 PolarHBondContact O-N 3.38Å; I58-L61 PolarHBondContact O-N 2.96Å; L61-R64 PolarHBondContact O-N 3.13Å; L61-L65 WeakPolarHBondContact O-CB 3.3Å; L61-L65 PolarHBondContact O-N 2.9Å
62E94.9Very high94.5Very high114 Ų11498.8 Ų98.853%0.53351%0.511SS..Hα-helixtrans-63.1-41.6173.8-74.6176.2178.700112.3I58 D60 L65 K66I58-E62 HydrophobicContact CG2-CG 4.29Å; I58-E62 WeakPolarHBondContact CG2-OE1 3.22Å; I58-E62 WeakPolarHBondContact O-CB 3.31Å; I58-E62 WeakPolarHBondContact O-CG 3.36Å; I58-E62 PolarHBondContact O-N 3.29Å; D60-E62 PolarHBondContact O-N 2.97Å; E62-L65 PolarHBondContact O-N 3.41Å; E62-K66 PolarHBondContact O-N 2.9Å; E62-K66 VanDerWaalsContact O-N 3.1Å
63G94.6Very high94.3Very high41 Ų4198.8 Ų98.842%0.42351%0.509SS..Hα-helixtrans-62.6-44.1174.700000112.2A59 D60 K66 A67A59-G63 PolarHBondContact O-N 3.06Å; D60-G63 PolarHBondContact O-N 3.09Å; G63-K66 PolarHBondContact O-N 3.43Å; G63-A67 PolarHBondContact O-N 2.9Å; G63-A67 VanDerWaalsContact O-N 3.1Å
64R95Very high94.1Very high151 Ų151102 Ų10257%0.5752%0.522SS*.Hα-helixtrans-68.1-33.5176.6-70.3167.262-173.9-1.8112.8D60 L61 A67 F68D60-R64 WeakPolarHBondContact O-CB 3.42Å; D60-R64 VanDerWaalsContact O-CG 3.3Å; D60-R64 WeakPolarHBondContact O-CG 3.38Å; D60-R64 PolarHBondContact O-N 2.89Å; D60-R64 WeakPolarHBondContact OD1-CD 3.34Å; D60-R64 WeakPolarHBondContact OD2-CD 3.47Å; D60-R64 IonicContact OD2-CZ 2.78Å; D60-R64 IonicContact OD2-NH1 3.5Å; D60-R64 PolarHBondContact OD2-NH1 2.98Å; D60-R64 VanDerWaalsContact OD2-NH1 3.08Å; L61-R64 PolarHBondContact O-N 3.13Å; R64-A67 PolarHBondContact O-N 3.2Å; R64-F68 WeakPolarHBondContact O-CB 3.41Å; R64-F68 PolarHBondContact O-N 3.3Å
65L93.5Very high93.8Very high114 Ų114103.8 Ų103.860%0.59753%0.527SS*.Hα-helixtrans-65.9-43.3175-155.2113.8000110.9L61 E62 A67 F68 D69L61-L65 WeakPolarHBondContact O-CB 3.3Å; L61-L65 PolarHBondContact O-N 2.9Å; E62-L65 PolarHBondContact O-N 3.41Å; L65-A67 PolarHBondContact O-N 2.95Å; L65-F68 WeakPolarHBondContact O-CB 3.29Å; L65-F68 PolarHBondContact O-N 3.35Å; L65-F68 VanDerWaalsContact O-N 3.14Å; L65-D69 PolarHBondContact O-N 3.31Å
66K94.2Very high93.6Very high155 Ų15597.3 Ų97.367%0.67451%0.512SS*.Hα-helixtrans-61-40.8172.9-72.8175.2179.8172.80112.9E62 G63 F68 D69 A70E62-K66 PolarHBondContact O-N 2.9Å; E62-K66 VanDerWaalsContact O-N 3.1Å; G63-K66 PolarHBondContact O-N 3.43Å; K66-F68 VanDerWaalsContact C-N 3.32Å; K66-D69 PolarHBondContact O-N 2.92Å; K66-A70 PolarHBondContact O-N 2.85Å
67A92.7Very high93.4Very high58 Ų5896.3 Ų96.348%0.47951%0.508SS..Hα-helixtrans-65.1-36.6174.500000111.9G63 R64 L65 A70 T71G63-A67 PolarHBondContact O-N 2.9Å; G63-A67 VanDerWaalsContact O-N 3.1Å; R64-A67 PolarHBondContact O-N 3.2Å; L65-A67 PolarHBondContact O-N 2.95Å; A67-A70 PolarHBondContact O-N 3.44Å; A67-T71 PolarHBondContact O-N 2.98Å; A67-T71 PolarHBondContact O-OG1 3Å
68F93.2Very high93.2Very high133 Ų13393.3 Ų93.358%0.58350%0.5SS*.Hα-helixtrans-65.7-43.5173.9-175.6-98.2000112.1R64 L65 K66 A70 T71 K72R64-F68 WeakPolarHBondContact O-CB 3.41Å; R64-F68 PolarHBondContact O-N 3.3Å; L65-F68 WeakPolarHBondContact O-CB 3.29Å; L65-F68 PolarHBondContact O-N 3.35Å; L65-F68 VanDerWaalsContact O-N 3.14Å; K66-F68 VanDerWaalsContact C-N 3.32Å; F68-A70 VanDerWaalsContact C-N 3.33Å; F68-A70 PolarHBondContact O-N 2.86Å; F68-T71 WeakPolarHBondContact CA-OG1 3.43Å; F68-T71 PolarHBondContact O-N 2.66Å; F68-T71 PolarHBondContact O-OG1 3.38Å; F68-K72 VanDerWaalsContact O-CB 3.32Å; F68-K72 WeakPolarHBondContact O-CB 3.46Å; F68-K72 PolarHBondContact O-N 2.87Å
69D94.2Very high92.9Very high79 Ų7995 Ų9542%0.42251%0.506SS..Hα-helixtrans-63.4-36.8175.3-74.5-39000112.6L65 K66 K72 Q73L65-D69 PolarHBondContact O-N 3.31Å; K66-D69 PolarHBondContact O-N 2.92Å; D69-K72 PolarHBondContact O-N 3.32Å; D69-Q73 PolarHBondContact O-N 3.43Å
70A92.3Very high92.7Very high49 Ų4993.9 Ų93.941%0.40550%0.501SS..Hα-helixtrans-62.1-5117300000111.9K66 A67 F68 K72 Q73 E74K66-A70 PolarHBondContact O-N 2.85Å; A67-A70 PolarHBondContact O-N 3.44Å; F68-A70 VanDerWaalsContact C-N 3.33Å; F68-A70 PolarHBondContact O-N 2.86Å; A70-K72 VanDerWaalsContact C-N 3.26Å; A70-K72 PolarHBondContact O-N 2.75Å; A70-Q73 WeakPolarHBondContact O-CB 3.42Å; A70-Q73 PolarHBondContact O-N 3.24Å; A70-E74 PolarHBondContact O-N 3.42Å
71T92.3Very high92.5Very high73 Ų7395.5 Ų95.545%0.44851%0.505SS..Hα-helixtrans-64.4-28.9177.452.30000113.3A67 F68 L75A67-T71 PolarHBondContact O-N 2.98Å; A67-T71 PolarHBondContact O-OG1 3Å; F68-T71 WeakPolarHBondContact CA-OG1 3.43Å; F68-T71 PolarHBondContact O-N 2.66Å; F68-T71 PolarHBondContact O-OG1 3.38Å; T71-L75 WeakPolarHBondContact O-CB 3.39Å; T71-L75 PolarHBondContact O-N 3.11Å
72K92.6Very high92Very high128 Ų12894.5 Ų94.556%0.55751%0.506SS*.Hα-helixtrans-67.5-37.7171.2-179.2-175.7173.3-169.30112.2F68 D69 A70 A76F68-K72 VanDerWaalsContact O-CB 3.32Å; F68-K72 WeakPolarHBondContact O-CB 3.46Å; F68-K72 PolarHBondContact O-N 2.87Å; D69-K72 PolarHBondContact O-N 3.32Å; A70-K72 VanDerWaalsContact C-N 3.26Å; A70-K72 PolarHBondContact O-N 2.75Å; K72-A76 PolarHBondContact O-N 2.87Å; K72-A76 VanDerWaalsContact O-N 3.1Å
73Q92.4Very high91.8Very high109 Ų10993 Ų9351%0.50950%0.499SS..Hα-helixtrans-67.9-46.1173.6-174.66049.800111.2D69 A70 L75 A76 D77D69-Q73 PolarHBondContact O-N 3.43Å; A70-Q73 WeakPolarHBondContact O-CB 3.42Å; A70-Q73 PolarHBondContact O-N 3.24Å; Q73-L75 PolarHBondContact O-N 3.37Å; Q73-A76 WeakPolarHBondContact O-CB 3.42Å; Q73-A76 PolarHBondContact O-N 2.93Å; Q73-D77 PolarHBondContact NE2-OD1 2.95Å; Q73-D77 PolarHBondContact O-N 3.21Å
74E91.6Very high91.5Very high127 Ų12798 Ų9859%0.59351%0.505SS*.Hα-helixtrans-56.5-39.6175-68.8173.1-179.700112A70 D77 S78A70-E74 PolarHBondContact O-N 3.42Å; E74-D77 PolarHBondContact O-N 3.49Å; E74-S78 VanDerWaalsContact O-CB 3.27Å; E74-S78 WeakPolarHBondContact O-CB 3.37Å; E74-S78 PolarHBondContact O-N 3.46Å
75L89.7Confident91.1Very high103 Ų10395.2 Ų95.254%0.53951%0.505SS..Hα-helixtrans-65.3-41.2174.8-179.161.9000112.4T71 Q73 S78 Q79T71-L75 WeakPolarHBondContact O-CB 3.39Å; T71-L75 PolarHBondContact O-N 3.11Å; Q73-L75 PolarHBondContact O-N 3.37Å; L75-S78 PolarHBondContact O-N 3.11Å; L75-Q79 WeakPolarHBondContact O-CB 3.48Å; L75-Q79 VanDerWaalsContact O-CG 3.28Å; L75-Q79 WeakPolarHBondContact O-CG 3.34Å; L75-Q79 PolarHBondContact O-N 3.29Å
76A91.2Very high90.8Very high45 Ų4595.1 Ų95.137%0.37250%0.496SS..Hα-helixtrans-65.8-41.2176.800000111.9K72 Q73 Q79 G80K72-A76 PolarHBondContact O-N 2.87Å; K72-A76 VanDerWaalsContact O-N 3.1Å; Q73-A76 WeakPolarHBondContact O-CB 3.42Å; Q73-A76 PolarHBondContact O-N 2.93Å; A76-Q79 PolarHBondContact O-N 2.93Å; A76-G80 PolarHBondContact O-N 2.86Å
77D91.7Very high90.6Very high91 Ų9192.6 Ų92.649%0.48749%0.488SS..Hα-helixtrans-65-40.8176.4-64.8-19000111.2Q73 E74 G80 Q81Q73-D77 PolarHBondContact NE2-OD1 2.95Å; Q73-D77 PolarHBondContact O-N 3.21Å; E74-D77 PolarHBondContact O-N 3.49Å; D77-G80 PolarHBondContact O-N 3.07Å; D77-Q81 PolarHBondContact O-N 3.46Å
78S90.7Very high90.3Very high59 Ų5994 Ų9441%0.41349%0.491SS..Hα-helixtrans-62.6-44.7173.5-1760000112.1E74 L75 G80 Q81 C82E74-S78 VanDerWaalsContact O-CB 3.27Å; E74-S78 WeakPolarHBondContact O-CB 3.37Å; E74-S78 PolarHBondContact O-N 3.46Å; L75-S78 PolarHBondContact O-N 3.11Å; S78-G80 PolarHBondContact O-N 3.42Å; S78-Q81 WeakPolarHBondContact O-CA 3.48Å; S78-Q81 WeakPolarHBondContact O-CB 3.48Å; S78-Q81 PolarHBondContact O-N 3.22Å; S78-C82 PolarHBondContact O-N 3.26Å; S78-C82 PolarHBondContact O-SG 2.97Å
79Q89.7Confident89.7Confident124 Ų12492.5 Ų92.558%0.57949%0.488SS*.Hα-helixtrans-58.9-44.6173.5-75.5171.9-13.100111.8L75 A76 Q81 C82 E83L75-Q79 WeakPolarHBondContact O-CB 3.48Å; L75-Q79 VanDerWaalsContact O-CG 3.28Å; L75-Q79 WeakPolarHBondContact O-CG 3.34Å; L75-Q79 PolarHBondContact O-N 3.29Å; A76-Q79 PolarHBondContact O-N 2.93Å; Q79-Q81 VanDerWaalsContact C-N 3.28Å; Q79-Q81 PolarHBondContact O-N 2.82Å; Q79-C82 PolarHBondContact O-N 2.61Å; Q79-E83 PolarHBondContact O-N 3.11Å
80G90.1Very high89.4Confident34 Ų3493 Ų9335%0.35149%0.488SS..Hα-helixtrans-65.2-27.9174.100000113.8A76 D77 S78 R84A76-G80 PolarHBondContact O-N 2.86Å; D77-G80 PolarHBondContact O-N 3.07Å; S78-G80 PolarHBondContact O-N 3.42Å; G80-R84 WeakPolarHBondContact O-CG 3.43Å; G80-R84 PolarHBondContact O-N 3.05Å; G80-R84 PolarHBondContact O-NE 2.94Å
81Q89.9Confident89.1Confident118 Ų11893.3 Ų93.355%0.55149%0.487SS*.Hα-helixtrans-73.2-44.3171.4-168.2171.61.800112D77 S78 Q79 E83 R84 V85D77-Q81 PolarHBondContact O-N 3.46Å; S78-Q81 WeakPolarHBondContact O-CA 3.48Å; S78-Q81 WeakPolarHBondContact O-CB 3.48Å; S78-Q81 PolarHBondContact O-N 3.22Å; Q79-Q81 VanDerWaalsContact C-N 3.28Å; Q79-Q81 PolarHBondContact O-N 2.82Å; Q81-E83 VanDerWaalsContact C-N 3.31Å; Q81-E83 PolarHBondContact O-N 2.7Å; Q81-R84 PolarHBondContact O-N 3.43Å; Q81-V85 WeakPolarHBondContact O-CG2 3.35Å; Q81-V85 PolarHBondContact O-N 3.37Å
82C85.2Confident88.6Confident80 Ų8093 Ų9354%0.54149%0.487SS..Hα-helixtrans-57.1-43173.5-70.60000112.1S78 Q79 R84 V85 R86S78-C82 PolarHBondContact O-N 3.26Å; S78-C82 PolarHBondContact O-SG 2.97Å; Q79-C82 PolarHBondContact O-N 2.61Å; C82-R84 PolarHBondContact O-N 2.89Å; C82-V85 PolarHBondContact O-N 3.09Å; C82-R86 WeakPolarHBondContact O-CB 3.23Å; C82-R86 PolarHBondContact O-N 2.94Å
83E90.6Very high88.1Confident83 Ų8392.1 Ų92.139%0.38849%0.485SS..Hα-helixtrans-65.8-38.6179.5-173.956.5-157.700112.7Q79 Q81 V85 R86 M87Q79-E83 PolarHBondContact O-N 3.11Å; Q81-E83 VanDerWaalsContact C-N 3.31Å; Q81-E83 PolarHBondContact O-N 2.7Å; E83-V85 PolarHBondContact O-N 3.09Å; E83-R86 VanDerWaalsContact CD-NE 3.32Å; E83-R86 WeakPolarHBondContact O-CB 3.43Å; E83-R86 PolarHBondContact O-N 2.94Å; E83-R86 IonicContact OE1-CZ 2.84Å; E83-R86 VanDerWaalsContact OE1-CZ 3.31Å; E83-R86 IonicContact OE1-NE 3.81Å; E83-R86 PolarHBondContact OE1-NE 2.94Å; E83-R86 VanDerWaalsContact OE1-NE 3.11Å; E83-R86 IonicContact OE1-NH2 2.86Å; E83-R86 PolarHBondContact OE1-NH2 2.98Å; E83-R86 IonicContact OE2-CZ 2.68Å; E83-R86 IonicContact OE2-NE 3.66Å; E83-R86 PolarHBondContact OE2-NE 3.47Å; E83-R86 IonicContact OE2-NH2 3.58Å; E83-M87 PolarHBondContact O-N 3.4Å
84R89.6Confident87.6Confident146 Ų14690.1 Ų90.155%0.55149%0.487SS*.Hα-helixtrans-63.8-39.3172.3-74.4176.3-69.1-165.12.2112.4G80 Q81 C82 M87 T88G80-R84 WeakPolarHBondContact O-CG 3.43Å; G80-R84 PolarHBondContact O-N 3.05Å; G80-R84 PolarHBondContact O-NE 2.94Å; Q81-R84 PolarHBondContact O-N 3.43Å; C82-R84 PolarHBondContact O-N 2.89Å; R84-M87 HydrophobicContact CG-CE 4.32Å; R84-T88 WeakPolarHBondContact O-CB 3.24Å; R84-T88 PolarHBondContact O-N 3.01Å; R84-T88 VanDerWaalsContact O-N 3.08Å; R84-T88 PolarHBondContact O-OG1 3.03Å
85V85Confident87.2Confident92 Ų9290.4 Ų90.456%0.55849%0.487SS*.Hα-helixtrans-65.4-40.7174.1173.10000110.7Q81 C82 E83 T88 L89Q81-V85 WeakPolarHBondContact O-CG2 3.35Å; Q81-V85 PolarHBondContact O-N 3.37Å; C82-V85 PolarHBondContact O-N 3.09Å; E83-V85 PolarHBondContact O-N 3.09Å; V85-T88 WeakPolarHBondContact O-CB 3.38Å; V85-T88 PolarHBondContact O-N 2.93Å; V85-L89 PolarHBondContact O-N 3.41Å
86R88.5Confident86.5Confident112 Ų11290.1 Ų90.142%0.42349%0.485SS..Hα-helixtrans-58.1-52.7176.4-162.4-175.273.867.914.5111.8C82 E83 T88 L89 E90C82-R86 WeakPolarHBondContact O-CB 3.23Å; C82-R86 PolarHBondContact O-N 2.94Å; E83-R86 VanDerWaalsContact CD-NE 3.32Å; E83-R86 WeakPolarHBondContact O-CB 3.43Å; E83-R86 PolarHBondContact O-N 2.94Å; E83-R86 IonicContact OE1-CZ 2.84Å; E83-R86 VanDerWaalsContact OE1-CZ 3.31Å; E83-R86 IonicContact OE1-NE 3.81Å; E83-R86 PolarHBondContact OE1-NE 2.94Å; E83-R86 VanDerWaalsContact OE1-NE 3.11Å; E83-R86 IonicContact OE1-NH2 2.86Å; E83-R86 PolarHBondContact OE1-NH2 2.98Å; E83-R86 IonicContact OE2-CZ 2.68Å; E83-R86 IonicContact OE2-NE 3.66Å; E83-R86 PolarHBondContact OE2-NE 3.47Å; E83-R86 IonicContact OE2-NH2 3.58Å; R86-T88 VanDerWaalsContact C-N 3.26Å; R86-T88 PolarHBondContact O-N 3.49Å; R86-L89 WeakPolarHBondContact O-CB 3.4Å; R86-L89 PolarHBondContact O-N 3.37Å; R86-L89 VanDerWaalsContact O-N 3.13Å; R86-E90 IonicContact CZ-OE1 3.19Å; R86-E90 IonicContact CZ-OE2 2.96Å; R86-E90 VanDerWaalsContact NH1-CD 3.32Å; R86-E90 IonicContact NH1-OE1 3.14Å; R86-E90 PolarHBondContact NH1-OE1 3.2Å; R86-E90 IonicContact NH1-OE2 3.11Å; R86-E90 IonicContact NH2-OE2 3.95Å; R86-E90 WeakPolarHBondContact O-CG 3.4Å; R86-E90 PolarHBondContact O-N 3.08Å
87M88.5Confident86Confident101 Ų10190 Ų9050%0.49848%0.484SS..Hα-helixtrans-61.2-33.9175.6-66.8-171.1-63.400113E83 R84 S91E83-M87 PolarHBondContact O-N 3.4Å; R84-M87 HydrophobicContact CG-CE 4.32Å; M87-S91 WeakPolarHBondContact O-CB 3.43Å; M87-S91 PolarHBondContact O-N 3.49Å
88T87.6Confident85.5Confident87 Ų8788.4 Ų88.453%0.53448%0.475SS..Hα-helixtrans-68.4-39.8176.3-54.70000111R84 V85 R86 S91 C92R84-T88 WeakPolarHBondContact O-CB 3.24Å; R84-T88 PolarHBondContact O-N 3.01Å; R84-T88 VanDerWaalsContact O-N 3.08Å; R84-T88 PolarHBondContact O-OG1 3.03Å; V85-T88 WeakPolarHBondContact O-CB 3.38Å; V85-T88 PolarHBondContact O-N 2.93Å; R86-T88 VanDerWaalsContact C-N 3.26Å; R86-T88 PolarHBondContact O-N 3.49Å; T88-S91 PolarHBondContact O-N 3.28Å; T88-C92 PolarHBondContact O-N 2.98Å; T88-C92 PolarHBondContact O-SG 2.91Å; T88-C92 VanDerWaalsContact O-SG 3.37Å
89L80.4Confident84.9Confident102 Ų10287.3 Ų87.353%0.53447%0.47SS..Hα-helixtrans-62.1-50.9175.2-166.879.6000110.8V85 R86 S91 C92 E93V85-L89 PolarHBondContact O-N 3.41Å; R86-L89 WeakPolarHBondContact O-CB 3.4Å; R86-L89 PolarHBondContact O-N 3.37Å; R86-L89 VanDerWaalsContact O-N 3.13Å; L89-S91 VanDerWaalsContact C-N 3.27Å; L89-S91 PolarHBondContact O-N 2.88Å; L89-C92 CarbonylContact O-C 3.6Å; L89-C92 WeakPolarHBondContact O-CA 3.34Å; L89-C92 WeakPolarHBondContact O-CB 3.48Å; L89-C92 PolarHBondContact O-N 3.27Å; L89-E93 WeakPolarHBondContact O-CG 3.33Å; L89-E93 PolarHBondContact O-N 3.48Å
90E87.5Confident84.2Confident89 Ų8986.7 Ų86.742%0.41647%0.467SS..Hα-helixtrans-56.4-40.6177-68.4174.2147.700111.8R86 E93 A94R86-E90 IonicContact CZ-OE1 3.19Å; R86-E90 IonicContact CZ-OE2 2.96Å; R86-E90 VanDerWaalsContact NH1-CD 3.32Å; R86-E90 IonicContact NH1-OE1 3.14Å; R86-E90 PolarHBondContact NH1-OE1 3.2Å; R86-E90 IonicContact NH1-OE2 3.11Å; R86-E90 IonicContact NH2-OE2 3.95Å; R86-E90 WeakPolarHBondContact O-CG 3.4Å; R86-E90 PolarHBondContact O-N 3.08Å; E90-E93 PolarHBondContact O-N 3.5Å; E90-A94 WeakPolarHBondContact O-CB 3.41Å; E90-A94 PolarHBondContact O-N 2.97Å
91S86Confident83.9Confident56 Ų5691.5 Ų91.539%0.39248%0.475SS..Hα-helixtrans-64.9-37.4174.9-171.20000112.8M87 T88 L89 K95M87-S91 WeakPolarHBondContact O-CB 3.43Å; M87-S91 PolarHBondContact O-N 3.49Å; T88-S91 PolarHBondContact O-N 3.28Å; L89-S91 VanDerWaalsContact C-N 3.27Å; L89-S91 PolarHBondContact O-N 2.88Å; S91-K95 WeakPolarHBondContact O-CD 3.36Å; S91-K95 VanDerWaalsContact O-CG 3.27Å; S91-K95 WeakPolarHBondContact O-CG 3.41Å; S91-K95 PolarHBondContact O-N 2.9Å
92C81.6Confident83.2Confident67 Ų6791.3 Ų91.345%0.45347%0.469SS..Hα-helixtrans-72.6-38.7176.4-73.60000112.4T88 L89 K95 L96T88-C92 PolarHBondContact O-N 2.98Å; T88-C92 PolarHBondContact O-SG 2.91Å; T88-C92 VanDerWaalsContact O-SG 3.37Å; L89-C92 CarbonylContact O-C 3.6Å; L89-C92 WeakPolarHBondContact O-CA 3.34Å; L89-C92 WeakPolarHBondContact O-CB 3.48Å; L89-C92 PolarHBondContact O-N 3.27Å; C92-K95 PolarHBondContact O-N 3.19Å; C92-L96 WeakPolarHBondContact O-CB 3.45Å; C92-L96 PolarHBondContact O-N 3.21Å
93E82.1Confident82.4Confident110 Ų11088.8 Ų88.851%0.51445%0.454SS..Hα-helixtrans-62.3-43.9174.3-71.6173.4167.100111.2L89 E90 K95 L96 A97L89-E93 WeakPolarHBondContact O-CG 3.33Å; L89-E93 PolarHBondContact O-N 3.48Å; E90-E93 PolarHBondContact O-N 3.5Å; E93-K95 VanDerWaalsContact C-N 3.34Å; E93-K95 PolarHBondContact O-N 3.01Å; E93-L96 PolarHBondContact O-N 3.45Å; E93-A97 PolarHBondContact O-N 3.16Å
94A83.1Confident81.7Confident66 Ų6690.5 Ų90.555%0.54547%0.466SS..Hα-helixtrans-61.3-39.2174.300000112.9E90 D98E90-A94 WeakPolarHBondContact O-CB 3.41Å; E90-A94 PolarHBondContact O-N 2.97Å; A94-D98 PolarHBondContact O-N 3.45Å
95K82.7Confident81Confident134 Ų13489.7 Ų89.758%0.58347%0.468SS*.Hα-helixtrans-68.2-36174.4-72.4166.9-174.3169.70112.4S91 C92 E93 D98 A99S91-K95 WeakPolarHBondContact O-CD 3.36Å; S91-K95 VanDerWaalsContact O-CG 3.27Å; S91-K95 WeakPolarHBondContact O-CG 3.41Å; S91-K95 PolarHBondContact O-N 2.9Å; C92-K95 PolarHBondContact O-N 3.19Å; E93-K95 VanDerWaalsContact C-N 3.34Å; E93-K95 PolarHBondContact O-N 3.01Å; K95-D98 PolarHBondContact O-N 2.88Å; K95-A99 PolarHBondContact O-N 3.47Å
96L74.2Confident80.5Confident97 Ų9786.8 Ų86.851%0.50845%0.453SS..Hα-helixtrans-66.3-48.9177.2-176.963000110.7C92 E93 D98 A99 E100C92-L96 WeakPolarHBondContact O-CB 3.45Å; C92-L96 PolarHBondContact O-N 3.21Å; E93-L96 PolarHBondContact O-N 3.45Å; L96-D98 PolarHBondContact O-N 2.62Å; L96-D98 VanDerWaalsContact O-N 3.17Å; L96-A99 WeakPolarHBondContact O-CA 3.48Å; L96-A99 WeakPolarHBondContact O-CB 3.43Å; L96-A99 PolarHBondContact O-N 2.88Å; L96-E100 WeakPolarHBondContact O-CG 3.43Å; L96-E100 PolarHBondContact O-N 3.34Å
97A81.6Confident79.6Confident43 Ų4383.7 Ų83.736%0.35545%0.449SS..Hα-helixtrans-62.3-22.4176.400000113.5E93 R101E93-A97 PolarHBondContact O-N 3.16Å; A97-R101 WeakPolarHBondContact O-CG 3.36Å; A97-R101 PolarHBondContact O-N 3.31Å; A97-R101 PolarHBondContact O-NE 3Å; A97-R101 VanDerWaalsContact O-NE 3.14Å
98D81.5Confident78.9Confident56 Ų5680.3 Ų80.330%0.29944%0.44SS..Hα-helixtrans-79.9-40.4170.2-170.479.9000113A94 K95 L96 E100 R101 R102A94-D98 PolarHBondContact O-N 3.45Å; K95-D98 PolarHBondContact O-N 2.88Å; L96-D98 PolarHBondContact O-N 2.62Å; L96-D98 VanDerWaalsContact O-N 3.17Å; D98-E100 VanDerWaalsContact C-N 3.3Å; D98-E100 PolarHBondContact O-N 2.93Å; D98-R101 VanDerWaalsContact CA-NH2 3.32Å; D98-R101 PolarHBondContact O-N 2.92Å; D98-R101 IonicContact OD1-CZ 2.72Å; D98-R101 IonicContact OD1-NH1 3.97Å; D98-R101 PolarHBondContact OD1-NH1 3.38Å; D98-R101 IonicContact OD1-NH2 2.84Å; D98-R101 PolarHBondContact OD1-NH2 3.24Å; D98-R102 PolarHBondContact O-N 3.02Å; D98-R102 VanDerWaalsContact O-N 3.09Å; D98-R102 PolarHBondContact O-NE 2.98Å; D98-R102 IonicContact OD2-CZ 2.7Å; D98-R102 VanDerWaalsContact OD2-CZ 3.29Å; D98-R102 IonicContact OD2-NE 2.76Å; D98-R102 PolarHBondContact OD2-NE 3.1Å; D98-R102 IonicContact OD2-NH2 3.11Å; D98-R102 PolarHBondContact OD2-NH2 3.4Å
99A76.5Confident78.4Confident37 Ų3781.8 Ų81.831%0.30644%0.444SS..Hα-helixtrans-64.5-34.8173.700000112.5K95 L96 A103K95-A99 PolarHBondContact O-N 3.47Å; L96-A99 WeakPolarHBondContact O-CA 3.48Å; L96-A99 WeakPolarHBondContact O-CB 3.43Å; L96-A99 PolarHBondContact O-N 2.88Å; A99-A103 WeakPolarHBondContact O-CB 3.39Å; A99-A103 PolarHBondContact O-N 3.37Å
100E76.6Confident78.3Confident110 Ų11081.5 Ų81.551%0.51444%0.442SS..Hα-helixtrans-66.4-48.6174.8-72.4174.9158.900111.6L96 D98 R102 A103 D104L96-E100 WeakPolarHBondContact O-CG 3.43Å; L96-E100 PolarHBondContact O-N 3.34Å; D98-E100 VanDerWaalsContact C-N 3.3Å; D98-E100 PolarHBondContact O-N 2.93Å; E100-R102 VanDerWaalsContact C-N 3.32Å; E100-R102 PolarHBondContact O-N 3.45Å; E100-A103 WeakPolarHBondContact O-CA 3.39Å; E100-A103 VanDerWaalsContact O-CB 3.3Å; E100-A103 WeakPolarHBondContact O-CB 3.33Å; E100-A103 PolarHBondContact O-N 3.01Å; E100-D104 PolarHBondContact O-N 3.35Å
101R82.3Confident78.2Confident135 Ų13584.1 Ų84.151%0.50945%0.452SS..Hα-helixtrans-56.9-43.9174.3-77.2-179.9-69.4117.60.9112.4A97 D98 A103 D104 E105A97-R101 WeakPolarHBondContact O-CG 3.36Å; A97-R101 PolarHBondContact O-N 3.31Å; A97-R101 PolarHBondContact O-NE 3Å; A97-R101 VanDerWaalsContact O-NE 3.14Å; D98-R101 VanDerWaalsContact CA-NH2 3.32Å; D98-R101 PolarHBondContact O-N 2.92Å; D98-R101 IonicContact OD1-CZ 2.72Å; D98-R101 IonicContact OD1-NH1 3.97Å; D98-R101 PolarHBondContact OD1-NH1 3.38Å; D98-R101 IonicContact OD1-NH2 2.84Å; D98-R101 PolarHBondContact OD1-NH2 3.24Å; R101-A103 VanDerWaalsContact C-N 3.29Å; R101-A103 PolarHBondContact O-N 3.11Å; R101-D104 PolarHBondContact O-N 3.05Å; R101-E105 WeakPolarHBondContact O-CG 3.47Å; R101-E105 PolarHBondContact O-N 3.49Å
102R75.3Confident78.1Confident115 Ų11586.2 Ų86.243%0.43446%0.458SS..Hα-helixtrans-65.7-29.3174.7-74.8-176.2-77.3112.1-2.3113.3D98 E100 A106D98-R102 PolarHBondContact O-N 3.02Å; D98-R102 VanDerWaalsContact O-N 3.09Å; D98-R102 PolarHBondContact O-NE 2.98Å; D98-R102 IonicContact OD2-CZ 2.7Å; D98-R102 VanDerWaalsContact OD2-CZ 3.29Å; D98-R102 IonicContact OD2-NE 2.76Å; D98-R102 PolarHBondContact OD2-NE 3.1Å; D98-R102 IonicContact OD2-NH2 3.11Å; D98-R102 PolarHBondContact OD2-NH2 3.4Å; E100-R102 VanDerWaalsContact C-N 3.32Å; E100-R102 PolarHBondContact O-N 3.45Å; R102-A106 WeakPolarHBondContact O-CB 3.37Å; R102-A106 PolarHBondContact O-N 2.91Å; R102-A106 VanDerWaalsContact O-N 3.1Å
103A70Confident78.3Confident26 Ų2689.3 Ų89.322%0.21546%0.464CS..Hα-helixtrans-68.6-39.7174.100000112.1A99 E100 R101 A106 S107A99-A103 WeakPolarHBondContact O-CB 3.39Å; A99-A103 PolarHBondContact O-N 3.37Å; E100-A103 WeakPolarHBondContact O-CA 3.39Å; E100-A103 VanDerWaalsContact O-CB 3.3Å; E100-A103 WeakPolarHBondContact O-CB 3.33Å; E100-A103 PolarHBondContact O-N 3.01Å; R101-A103 VanDerWaalsContact C-N 3.29Å; R101-A103 PolarHBondContact O-N 3.11Å; A103-A106 PolarHBondContact O-N 3.18Å; A103-S107 PolarHBondContact O-N 3.19Å
104D76Confident78.5Confident120 Ų12087.9 Ų87.964%0.64246%0.46SS*.Hα-helixtrans-68.6-42.3176.5-72.3-28.1000112.1E100 R101 A106 S107 G108E100-D104 PolarHBondContact O-N 3.35Å; R101-D104 PolarHBondContact O-N 3.05Å; D104-A106 PolarHBondContact O-N 2.95Å; D104-S107 WeakPolarHBondContact O-CB 3.42Å; D104-S107 PolarHBondContact O-N 3.1Å; D104-G108 PolarHBondContact O-N 3.38Å
105E74.7Confident78.7Confident129 Ų12987.5 Ų87.560%0.60345%0.453SS*.Hα-helixtrans-57.3-47.2172.5-72.6172-173.900111.5R101 S107 G108 L109R101-E105 WeakPolarHBondContact O-CG 3.47Å; R101-E105 PolarHBondContact O-N 3.49Å; E105-S107 VanDerWaalsContact C-N 3.34Å; E105-S107 PolarHBondContact O-N 3.02Å; E105-G108 PolarHBondContact O-N 3.44Å; E105-G108 VanDerWaalsContact O-N 3.14Å; E105-L109 PolarHBondContact O-N 2.9Å
106A73.6Confident78.8Confident30 Ų3085.1 Ų85.125%0.24845%0.446CS..Hα-helixtrans-62-38.6175.800000112.6R102 A103 D104 G108 L109 I110R102-A106 WeakPolarHBondContact O-CB 3.37Å; R102-A106 PolarHBondContact O-N 2.91Å; R102-A106 VanDerWaalsContact O-N 3.1Å; A103-A106 PolarHBondContact O-N 3.18Å; D104-A106 PolarHBondContact O-N 2.95Å; A106-G108 VanDerWaalsContact C-N 3.31Å; A106-G108 PolarHBondContact O-N 3.41Å; A106-L109 PolarHBondContact O-N 2.95Å; A106-I110 WeakPolarHBondContact O-CG1 3.45Å; A106-I110 PolarHBondContact O-N 3Å
107S69.1Low79.2Confident48 Ų4884.5 Ų84.534%0.33644%0.442SS..Hα-helixtrans-62.4-37.2173.7-173.90000112.2A103 D104 E105 K111A103-S107 PolarHBondContact O-N 3.19Å; D104-S107 WeakPolarHBondContact O-CB 3.42Å; D104-S107 PolarHBondContact O-N 3.1Å; E105-S107 VanDerWaalsContact C-N 3.34Å; E105-S107 PolarHBondContact O-N 3.02Å; S107-K111 WeakPolarHBondContact O-CG 3.41Å; S107-K111 PolarHBondContact O-N 2.94Å
108G75.6Confident79.6Confident30 Ų3086.6 Ų86.631%0.30945%0.451SS..Hα-helixtrans-62-47.3171.200000112.8D104 E105 A106 I110 K111 I112D104-G108 PolarHBondContact O-N 3.38Å; E105-G108 PolarHBondContact O-N 3.44Å; E105-G108 VanDerWaalsContact O-N 3.14Å; A106-G108 VanDerWaalsContact C-N 3.31Å; A106-G108 PolarHBondContact O-N 3.41Å; G108-I110 PolarHBondContact O-N 3.19Å; G108-K111 PolarHBondContact O-N 3.28Å; G108-I112 WeakPolarHBondContact O-CG1 3.45Å; G108-I112 PolarHBondContact O-N 2.91Å; G108-I112 VanDerWaalsContact O-N 3.16Å
109L77Confident80.1Confident118 Ų11890.8 Ų90.862%0.61847%0.466SS*.Hα-helixtrans-63.8-38.1178.7-67.6175.2000112.9E105 A106 I112 K113E105-L109 PolarHBondContact O-N 2.9Å; A106-L109 PolarHBondContact O-N 2.95Å; L109-I112 PolarHBondContact O-N 3.28Å; L109-K113 WeakPolarHBondContact O-CB 3.36Å; L109-K113 PolarHBondContact O-N 2.93Å
110I77.5Confident80.3Confident96 Ų9694.7 Ų94.749%0.49248%0.478SS..Hα-helixtrans-60.5-47.1174.9-69.9164.2000110.6A106 G108 I112 K113 D114A106-I110 WeakPolarHBondContact O-CG1 3.45Å; A106-I110 PolarHBondContact O-N 3Å; G108-I110 PolarHBondContact O-N 3.19Å; I110-I112 VanDerWaalsContact C-N 3.28Å; I110-I112 PolarHBondContact O-N 3.22Å; I110-K113 WeakPolarHBondContact O-CB 3.26Å; I110-K113 PolarHBondContact O-N 3.06Å; I110-K113 VanDerWaalsContact O-N 3.15Å; I110-D114 VanDerWaalsContact O-CG 3.26Å; I110-D114 PolarHBondContact O-N 3.44Å
111K84.7Confident80.8Confident143 Ų14392.1 Ų92.162%0.62247%0.472SS*.Hα-helixtrans-60-37177-68.2166.3-175.6169.60112.8S107 G108 S115S107-K111 WeakPolarHBondContact O-CG 3.41Å; S107-K111 PolarHBondContact O-N 2.94Å; G108-K111 PolarHBondContact O-N 3.28Å; K111-S115 WeakPolarHBondContact O-CB 3.34Å; K111-S115 PolarHBondContact O-N 3.06Å
112I85.4Confident81.2Confident101 Ų10190.1 Ų90.152%0.51847%0.472SS..Hα-helixtrans-67.5-46.5175.6-66.4167.3000110.5G108 L109 I110 D114 S115 I116G108-I112 WeakPolarHBondContact O-CG1 3.45Å; G108-I112 PolarHBondContact O-N 2.91Å; G108-I112 VanDerWaalsContact O-N 3.16Å; L109-I112 PolarHBondContact O-N 3.28Å; I110-I112 VanDerWaalsContact C-N 3.28Å; I110-I112 PolarHBondContact O-N 3.22Å; I112-D114 PolarHBondContact O-N 2.94Å; I112-S115 WeakPolarHBondContact O-CB 3.34Å; I112-S115 PolarHBondContact O-N 3.13Å; I112-I116 HydrophobicContact CG2-CD1 3.98Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 3.06Å
113K84.6Confident81.8Confident132 Ų13290.7 Ų90.757%0.57448%0.477SS*.Hα-helixtrans-56.1-49.5175.6178.8-167.4172.1-169.60111.3L109 I110 S115 I116 I117L109-K113 WeakPolarHBondContact O-CB 3.36Å; L109-K113 PolarHBondContact O-N 2.93Å; I110-K113 WeakPolarHBondContact O-CB 3.26Å; I110-K113 PolarHBondContact O-N 3.06Å; I110-K113 VanDerWaalsContact O-N 3.15Å; K113-S115 VanDerWaalsContact C-N 3.32Å; K113-S115 PolarHBondContact O-N 3.4Å; K113-I116 WeakPolarHBondContact O-CB 3.35Å; K113-I116 PolarHBondContact O-N 2.89Å; K113-I116 VanDerWaalsContact O-N 3.14Å; K113-I117 HydrophobicContact CG-CD1 4Å; K113-I117 WeakPolarHBondContact O-CG1 3.49Å; K113-I117 PolarHBondContact O-N 3.32Å
114D85.9Confident82.4Confident80 Ų8092.8 Ų92.843%0.42849%0.488SS..Hα-helixtrans-64.4-38.3-179.2-63.1-19.5000111.3I110 I112 I116 I117 V118I110-D114 VanDerWaalsContact O-CG 3.26Å; I110-D114 PolarHBondContact O-N 3.44Å; I112-D114 PolarHBondContact O-N 2.94Å; D114-I116 VanDerWaalsContact C-N 3.35Å; D114-I116 PolarHBondContact O-N 3.06Å; D114-I117 PolarHBondContact O-N 3.04Å; D114-V118 WeakPolarHBondContact O-CG2 3.39Å; D114-V118 PolarHBondContact O-N 3.25Å
115S88.4Confident83Confident58 Ų5892.6 Ų92.641%0.40648%0.481SS..Hα-helixtrans-62.2-39172.9-171.30000112.9K111 I112 K113 K119K111-S115 WeakPolarHBondContact O-CB 3.34Å; K111-S115 PolarHBondContact O-N 3.06Å; I112-S115 WeakPolarHBondContact O-CB 3.34Å; I112-S115 PolarHBondContact O-N 3.13Å; K113-S115 VanDerWaalsContact C-N 3.32Å; K113-S115 PolarHBondContact O-N 3.4Å; S115-K119 WeakPolarHBondContact O-CG 3.24Å; S115-K119 PolarHBondContact O-N 3.19Å; S115-K119 VanDerWaalsContact O-N 3.09Å
116I85.1Confident83.8Confident84 Ų8490.4 Ų90.443%0.43147%0.471SS..Hα-helixtrans-66.5-44.4175.5-68.6165.8000110.6I112 K113 D114 V118 K119 Q120I112-I116 HydrophobicContact CG2-CD1 3.98Å; I112-I116 WeakPolarHBondContact O-CG1 3.43Å; I112-I116 PolarHBondContact O-N 3.06Å; K113-I116 WeakPolarHBondContact O-CB 3.35Å; K113-I116 PolarHBondContact O-N 2.89Å; K113-I116 VanDerWaalsContact O-N 3.14Å; D114-I116 VanDerWaalsContact C-N 3.35Å; D114-I116 PolarHBondContact O-N 3.06Å; I116-V118 VanDerWaalsContact C-N 3.34Å; I116-V118 PolarHBondContact O-N 3.32Å; I116-K119 PolarHBondContact O-N 3.27Å; I116-Q120 HydrophobicContact CG2-CG 4.34Å; I116-Q120 WeakPolarHBondContact O-CG 3.48Å; I116-Q120 PolarHBondContact O-N 3.11Å
117I82.7Confident84.3Confident84 Ų8492.4 Ų92.443%0.43148%0.476SS..Hα-helixtrans-59.6-44177.8-69.1167.1000111K113 D114 Q120 S121K113-I117 HydrophobicContact CG-CD1 4Å; K113-I117 WeakPolarHBondContact O-CG1 3.49Å; K113-I117 PolarHBondContact O-N 3.32Å; D114-I117 PolarHBondContact O-N 3.04Å; I117-Q120 PolarHBondContact O-N 2.88Å; I117-S121 WeakPolarHBondContact O-CB 3.48Å; I117-S121 PolarHBondContact O-N 2.69Å
118V88.3Confident85.1Confident87 Ų8795.3 Ų95.353%0.52749%0.485SS..Hα-helixtrans-62.7-43.6176.1171.60000111.5D114 I116 S121 N122D114-V118 WeakPolarHBondContact O-CG2 3.39Å; D114-V118 PolarHBondContact O-N 3.25Å; I116-V118 VanDerWaalsContact C-N 3.34Å; I116-V118 PolarHBondContact O-N 3.32Å; V118-S121 PolarHBondContact O-N 3.05Å; V118-N122 VanDerWaalsContact O-CG 3.32Å; V118-N122 PolarHBondContact O-N 2.96Å
119K92Very high85.8Confident143 Ų14399.8 Ų99.862%0.62250%0.498SS*.Hα-helixtrans-62.5-44.2176.5-74.5176.5-178.8-177.60112.2S115 I116 N122 F123S115-K119 WeakPolarHBondContact O-CG 3.24Å; S115-K119 PolarHBondContact O-N 3.19Å; S115-K119 VanDerWaalsContact O-N 3.09Å; I116-K119 PolarHBondContact O-N 3.27Å; K119-N122 PolarHBondContact O-N 3.11Å; K119-F123 WeakPolarHBondContact O-CB 3.48Å; K119-F123 PolarHBondContact O-N 3.18Å
120Q81.9Confident86.6Confident120 Ų120101.4 Ų101.456%0.56150%0.496SS*.Hα-helixtrans-62.1-46.2176.2-74.5177.7-33.100111.4I116 I117 N122 F123 T124I116-Q120 HydrophobicContact CG2-CG 4.34Å; I116-Q120 WeakPolarHBondContact O-CG 3.48Å; I116-Q120 PolarHBondContact O-N 3.11Å; I117-Q120 PolarHBondContact O-N 2.88Å; Q120-N122 VanDerWaalsContact C-N 3.31Å; Q120-N122 PolarHBondContact O-N 3.18Å; Q120-F123 PolarHBondContact O-N 2.9Å; Q120-T124 PolarHBondContact O-N 3.47Å; Q120-T124 PolarHBondContact O-OG1 3.31Å; Q120-T124 VanDerWaalsContact O-OG1 3.1Å
121S87.7Confident86.9Confident55 Ų55101.7 Ų101.739%0.38550%0.498SS..Hα-helixtrans-59.6-39.7177.5-175.80000112.8I117 V118 K125I117-S121 WeakPolarHBondContact O-CB 3.48Å; I117-S121 PolarHBondContact O-N 2.69Å; V118-S121 PolarHBondContact O-N 3.05Å; S121-K125 WeakPolarHBondContact O-CG 3.33Å; S121-K125 PolarHBondContact O-N 2.96Å
122N90.7Very high87.2Confident94 Ų94102.4 Ų102.450%0.50350%0.496SS..Hα-helixtrans-68.5-42.4176.3-68.9-12.5000111.9V118 K119 Q120 K125 E126V118-N122 VanDerWaalsContact O-CG 3.32Å; V118-N122 PolarHBondContact O-N 2.96Å; K119-N122 PolarHBondContact O-N 3.11Å; Q120-N122 VanDerWaalsContact C-N 3.31Å; Q120-N122 PolarHBondContact O-N 3.18Å; N122-K125 PolarHBondContact O-N 3.28Å; N122-E126 PolarHBondContact O-N 3.04Å
123F86.3Confident87.5Confident127 Ų127101.4 Ų101.456%0.55749%0.492SS*.Hα-helixtrans-65-39.1177.4-174.8-112.9000112.6K119 Q120 E126 I127K119-F123 WeakPolarHBondContact O-CB 3.48Å; K119-F123 PolarHBondContact O-N 3.18Å; Q120-F123 PolarHBondContact O-N 2.9Å; F123-E126 PolarHBondContact O-N 3.41Å; F123-I127 HydrophobicContact CD1-CD1 3.88Å; F123-I127 HydrophobicContact CE1-CD1 3.44Å; F123-I127 VanDerWaalsContact CE1-CD1 3.44Å; F123-I127 HydrophobicContact CE2-CD1 4.35Å; F123-I127 HydrophobicContact CZ-CD1 3.72Å; F123-I127 HydrophobicContact CZ-CG1 4.46Å; F123-I127 WeakPolarHBondContact O-CG1 3.49Å; F123-I127 PolarHBondContact O-N 3.45Å
124T84.4Confident87.8Confident70 Ų70100 Ų10043%0.42949%0.489SS..Hα-helixtrans-60.2-46.4173-59.80000111.4Q120 E126 I127 E128Q120-T124 PolarHBondContact O-N 3.47Å; Q120-T124 PolarHBondContact O-OG1 3.31Å; Q120-T124 VanDerWaalsContact O-OG1 3.1Å; T124-E126 VanDerWaalsContact C-N 3.33Å; T124-E126 PolarHBondContact O-N 3.42Å; T124-I127 PolarHBondContact O-N 3.49Å; T124-E128 HydrophobicContact CG2-CG 4.43Å; T124-E128 WeakPolarHBondContact O-CG 3.41Å; T124-E128 PolarHBondContact O-N 3.3Å
125K88.1Confident87.9Confident116 Ų11698.8 Ų98.850%0.50449%0.485SS..Hα-helixtrans-60.7-41.4176.9-71.7169.6-176.2172.20112.5S121 N122 I127 E128 E129S121-K125 WeakPolarHBondContact O-CG 3.33Å; S121-K125 PolarHBondContact O-N 2.96Å; N122-K125 PolarHBondContact O-N 3.28Å; K125-I127 VanDerWaalsContact C-N 3.33Å; K125-I127 PolarHBondContact O-N 2.99Å; K125-E128 PolarHBondContact O-N 2.94Å; K125-E129 WeakPolarHBondContact O-CB 3.32Å; K125-E129 PolarHBondContact O-N 3.22Å
126E91Very high88Confident83 Ų83101 Ų10139%0.38849%0.489SS..Hα-helixtrans-62.6-39.6177.1-168.9-175.2166.600111.7N122 F123 T124 R130N122-E126 PolarHBondContact O-N 3.04Å; F123-E126 PolarHBondContact O-N 3.41Å; T124-E126 VanDerWaalsContact C-N 3.33Å; T124-E126 PolarHBondContact O-N 3.42Å; E126-R130 WeakPolarHBondContact O-CB 3.27Å; E126-R130 VanDerWaalsContact O-CG 3.23Å; E126-R130 WeakPolarHBondContact O-CG 3.46Å; E126-R130 PolarHBondContact O-N 2.97Å; E126-R130 IonicContact OE1-CZ 3.89Å; E126-R130 IonicContact OE1-NE 2.64Å; E126-R130 PolarHBondContact OE1-NE 3.42Å; E126-R130 IonicContact OE1-NH2 3.52Å; E126-R130 PolarHBondContact OE1-NH2 2.92Å
127I83.6Confident88.3Confident71 Ų71103 Ų10336%0.36450%0.497SS..Hα-helixtrans-66.9-44.2173.7-71.1172.5000111.4F123 T124 K125 E129 R130 L131F123-I127 HydrophobicContact CD1-CD1 3.88Å; F123-I127 HydrophobicContact CE1-CD1 3.44Å; F123-I127 VanDerWaalsContact CE1-CD1 3.44Å; F123-I127 HydrophobicContact CE2-CD1 4.35Å; F123-I127 HydrophobicContact CZ-CD1 3.72Å; F123-I127 HydrophobicContact CZ-CG1 4.46Å; F123-I127 WeakPolarHBondContact O-CG1 3.49Å; F123-I127 PolarHBondContact O-N 3.45Å; T124-I127 PolarHBondContact O-N 3.49Å; K125-I127 VanDerWaalsContact C-N 3.33Å; K125-I127 PolarHBondContact O-N 2.99Å; I127-E129 VanDerWaalsContact C-N 3.31Å; I127-E129 PolarHBondContact O-N 3Å; I127-R130 PolarHBondContact O-N 3.49Å; I127-L131 HydrophobicContact CG2-CD1 3.83Å; I127-L131 HydrophobicContact CG2-CG 4.28Å; I127-L131 WeakPolarHBondContact O-CB 3.41Å; I127-L131 WeakPolarHBondContact O-CG 3.35Å; I127-L131 PolarHBondContact O-N 2.96Å
128E87.2Confident88.6Confident110 Ų110105 Ų10551%0.51450%0.499SS..Hα-helixtrans-60.9-38.8177.4-73.3172.7174.300112.3T124 K125 R132T124-E128 HydrophobicContact CG2-CG 4.43Å; T124-E128 WeakPolarHBondContact O-CG 3.41Å; T124-E128 PolarHBondContact O-N 3.3Å; K125-E128 PolarHBondContact O-N 2.94Å; E128-R132 WeakPolarHBondContact O-CB 3.39Å; E128-R132 PolarHBondContact O-N 2.99Å
129E90.3Very high88.8Confident124 Ų124104.1 Ų104.158%0.57949%0.491SS*.Hα-helixtrans-68.6-47175.9-172.4166.8-156.500111.6K125 I127 L131 R132 N133K125-E129 WeakPolarHBondContact O-CB 3.32Å; K125-E129 PolarHBondContact O-N 3.22Å; I127-E129 VanDerWaalsContact C-N 3.31Å; I127-E129 PolarHBondContact O-N 3Å; E129-L131 PolarHBondContact O-N 3.26Å; E129-R132 WeakPolarHBondContact O-CB 3.49Å; E129-R132 PolarHBondContact O-N 3.4Å; E129-N133 VanDerWaalsContact O-CG 3.3Å; E129-N133 PolarHBondContact O-N 3.34Å; E129-N133 PolarHBondContact O-OD1 3.07Å
130R92.7Very high88.8Confident152 Ų152102.1 Ų102.157%0.57449%0.487SS*.Hα-helixtrans-59.3-43.8174.1-71.4170.5-176-132.8-0.9112.4E126 I127 R132 N133 I134E126-R130 WeakPolarHBondContact O-CB 3.27Å; E126-R130 VanDerWaalsContact O-CG 3.23Å; E126-R130 WeakPolarHBondContact O-CG 3.46Å; E126-R130 PolarHBondContact O-N 2.97Å; E126-R130 IonicContact OE1-CZ 3.89Å; E126-R130 IonicContact OE1-NE 2.64Å; E126-R130 PolarHBondContact OE1-NE 3.42Å; E126-R130 IonicContact OE1-NH2 3.52Å; E126-R130 PolarHBondContact OE1-NH2 2.92Å; I127-R130 PolarHBondContact O-N 3.49Å; R130-R132 VanDerWaalsContact C-N 3.32Å; R130-R132 PolarHBondContact O-N 3.35Å; R130-N133 PolarHBondContact O-N 2.99Å; R130-I134 VanDerWaalsContact O-CG1 3.32Å; R130-I134 WeakPolarHBondContact O-CG1 3.48Å; R130-I134 PolarHBondContact O-N 3.08Å
131L84.8Confident89.1Confident102 Ų102101.4 Ų101.453%0.53449%0.487SS..Hα-helixtrans-63.4-37.9177.2-77.7172.7000111.9I127 E129 T135I127-L131 HydrophobicContact CG2-CD1 3.83Å; I127-L131 HydrophobicContact CG2-CG 4.28Å; I127-L131 WeakPolarHBondContact O-CB 3.41Å; I127-L131 WeakPolarHBondContact O-CG 3.35Å; I127-L131 PolarHBondContact O-N 2.96Å; E129-L131 PolarHBondContact O-N 3.26Å; L131-T135 WeakPolarHBondContact O-CB 3.47Å; L131-T135 PolarHBondContact O-N 3.11Å; L131-T135 PolarHBondContact O-OG1 2.92Å
132R90.9Very high89.1Confident158 Ų158103.7 Ų103.760%0.59649%0.494SS*.Hα-helixtrans-62.7-50.7174.8-169.9-175.8-54.6-174.24.9111.1E128 E129 R130 I134 T135 E136E128-R132 WeakPolarHBondContact O-CB 3.39Å; E128-R132 PolarHBondContact O-N 2.99Å; E129-R132 WeakPolarHBondContact O-CB 3.49Å; E129-R132 PolarHBondContact O-N 3.4Å; R130-R132 VanDerWaalsContact C-N 3.32Å; R130-R132 PolarHBondContact O-N 3.35Å; R132-I134 PolarHBondContact O-N 3.33Å; R132-T135 WeakPolarHBondContact O-CA 3.49Å; R132-T135 WeakPolarHBondContact O-CB 3.38Å; R132-T135 PolarHBondContact O-N 3.45Å; R132-E136 WeakPolarHBondContact CG-OE1 3.4Å; R132-E136 WeakPolarHBondContact O-CG 3.31Å; R132-E136 PolarHBondContact O-N 3.44Å
133N90.7Very high89.1Confident79 Ų79105.8 Ų105.842%0.42250%0.501SS..Hα-helixtrans-58.7-46.2-179.9-63-4.2000111.5E129 R130 T135 E136 E137E129-N133 VanDerWaalsContact O-CG 3.3Å; E129-N133 PolarHBondContact O-N 3.34Å; E129-N133 PolarHBondContact O-OD1 3.07Å; R130-N133 PolarHBondContact O-N 2.99Å; N133-T135 VanDerWaalsContact C-N 3.28Å; N133-T135 PolarHBondContact O-N 3.34Å; N133-E136 PolarHBondContact O-N 3.08Å; N133-E137 WeakPolarHBondContact O-CG 3.47Å; N133-E137 PolarHBondContact O-N 2.88Å
134I90.5Very high89.3Confident102 Ų102105.8 Ų105.852%0.52350%0.5SS..Hα-helixtrans-62.9-34.9176.4-67.4166.6000111.7R130 R132 R138R130-I134 VanDerWaalsContact O-CG1 3.32Å; R130-I134 WeakPolarHBondContact O-CG1 3.48Å; R130-I134 PolarHBondContact O-N 3.08Å; R132-I134 PolarHBondContact O-N 3.33Å; I134-R138 WeakPolarHBondContact O-CB 3.46Å; I134-R138 PolarHBondContact O-N 3.16Å
135T89.5Confident89.3Confident56 Ų56105.8 Ų105.834%0.34450%0.5SS..Hα-helixtrans-68.3-43.6176.5-58.40000111.1L131 R132 N133 R138 D139L131-T135 WeakPolarHBondContact O-CB 3.47Å; L131-T135 PolarHBondContact O-N 3.11Å; L131-T135 PolarHBondContact O-OG1 2.92Å; R132-T135 WeakPolarHBondContact O-CA 3.49Å; R132-T135 WeakPolarHBondContact O-CB 3.38Å; R132-T135 PolarHBondContact O-N 3.45Å; N133-T135 VanDerWaalsContact C-N 3.28Å; N133-T135 PolarHBondContact O-N 3.34Å; T135-R138 WeakPolarHBondContact O-CB 3.47Å; T135-R138 PolarHBondContact O-N 3.36Å; T135-D139 VanDerWaalsContact O-CG 3.3Å; T135-D139 PolarHBondContact O-N 2.99Å
136E90.2Very high89.3Confident105 Ų105103.1 Ų103.149%0.49150%0.496SS..Hα-helixtrans-64.9-41.4175.4-69.3175.7-162.500111.6R132 N133 D139 N140R132-E136 WeakPolarHBondContact CG-OE1 3.4Å; R132-E136 WeakPolarHBondContact O-CG 3.31Å; R132-E136 PolarHBondContact O-N 3.44Å; N133-E136 PolarHBondContact O-N 3.08Å; E136-D139 PolarHBondContact O-N 3.49Å; E136-N140 WeakPolarHBondContact O-CB 3.35Å; E136-N140 VanDerWaalsContact O-CG 3.28Å; E136-N140 PolarHBondContact O-N 3.03Å; E136-N140 PolarHBondContact O-ND2 3.44Å
137E90.6Very high89.3Confident124 Ų124103.7 Ų103.758%0.57950%0.502SS*.Hα-helixtrans-60.7-46.3172.7-75.9177.9-174.100112.3N133 D139 N140 L141N133-E137 WeakPolarHBondContact O-CG 3.47Å; N133-E137 PolarHBondContact O-N 2.88Å; E137-D139 VanDerWaalsContact C-N 3.33Å; E137-D139 PolarHBondContact O-N 2.91Å; E137-N140 PolarHBondContact O-N 3.38Å; E137-L141 WeakPolarHBondContact O-CB 3.29Å; E137-L141 WeakPolarHBondContact O-CG 3.47Å; E137-L141 PolarHBondContact O-N 3.1Å
138R89.7Confident89.4Confident128 Ų128105.4 Ų105.448%0.48351%0.511SS..Hα-helixtrans-56.5-47.2174.9179.3-155.870.2-158.7-2.5111.2I134 T135 L141 L142I134-R138 WeakPolarHBondContact O-CB 3.46Å; I134-R138 PolarHBondContact O-N 3.16Å; T135-R138 WeakPolarHBondContact O-CB 3.47Å; T135-R138 PolarHBondContact O-N 3.36Å; R138-L141 PolarHBondContact O-N 3.33Å; R138-L142 HydrophobicContact CG-CD1 4.1Å; R138-L142 WeakPolarHBondContact O-CG 3.48Å; R138-L142 PolarHBondContact O-N 2.99Å
139D92Very high89.3Confident68 Ų68105.4 Ų105.436%0.36451%0.511SS..Hα-helixtrans-70.8-36.7-175.7-68.8-16.7000111.9T135 E136 E137 L141 L142 H143T135-D139 VanDerWaalsContact O-CG 3.3Å; T135-D139 PolarHBondContact O-N 2.99Å; E136-D139 PolarHBondContact O-N 3.49Å; E137-D139 VanDerWaalsContact C-N 3.33Å; E137-D139 PolarHBondContact O-N 2.91Å; D139-L141 VanDerWaalsContact C-N 3.35Å; D139-L142 PolarHBondContact O-N 3.19Å; D139-H143 PolarHBondContact O-N 3.07Å
140N91.7Very high89.2Confident100 Ų100103 Ų10354%0.53551%0.505SS..Hα-helixtrans-62-39.7169.5-76.3-47.8000112.5E136 E137 K144E136-N140 WeakPolarHBondContact O-CB 3.35Å; E136-N140 VanDerWaalsContact O-CG 3.28Å; E136-N140 PolarHBondContact O-N 3.03Å; E136-N140 PolarHBondContact O-ND2 3.44Å; E137-N140 PolarHBondContact O-N 3.38Å; N140-K144 WeakPolarHBondContact O-CG 3.44Å; N140-K144 PolarHBondContact O-N 3.16Å
141L89.5Confident89Confident106 Ų106101.3 Ų101.356%0.55550%0.504SS*.Hα-helixtrans-68.4-42175.2-73.6171.3000112E137 R138 D139 H143 K144 T145E137-L141 WeakPolarHBondContact O-CB 3.29Å; E137-L141 WeakPolarHBondContact O-CG 3.47Å; E137-L141 PolarHBondContact O-N 3.1Å; R138-L141 PolarHBondContact O-N 3.33Å; D139-L141 VanDerWaalsContact C-N 3.35Å; L141-H143 VanDerWaalsContact C-N 3.34Å; L141-H143 PolarHBondContact O-N 3.02Å; L141-K144 PolarHBondContact O-N 3.27Å; L141-T145 PolarHBondContact O-N 3.01Å; L141-T145 PolarHBondContact O-OG1 2.98Å; L141-T145 VanDerWaalsContact O-OG1 3.08Å
142L87.6Confident88.9Confident103 Ų103101.5 Ų101.554%0.53951%0.505SS..Hα-helixtrans-60.3-42.5174.9-74.3169.4000111.7R138 D139 T145 S146R138-L142 HydrophobicContact CG-CD1 4.1Å; R138-L142 WeakPolarHBondContact O-CG 3.48Å; R138-L142 PolarHBondContact O-N 2.99Å; D139-L142 PolarHBondContact O-N 3.19Å; L142-T145 PolarHBondContact O-N 2.7Å; L142-S146 WeakPolarHBondContact O-CB 3.49Å; L142-S146 PolarHBondContact O-N 2.97Å
143H89.2Confident88.6Confident138 Ų13898.8 Ų98.864%0.63950%0.502SS*.Hα-helixtrans-61.4-44.3173.3-109.957.2000112.4D139 L141 S146 N147D139-H143 PolarHBondContact O-N 3.07Å; L141-H143 VanDerWaalsContact C-N 3.34Å; L141-H143 PolarHBondContact O-N 3.02Å; H143-S146 PolarHBondContact O-N 3.41Å; H143-N147 VanDerWaalsContact O-CG 3.32Å; H143-N147 PolarHBondContact O-N 3.48Å
144K90.5Very high88.4Confident127 Ų12798.9 Ų98.955%0.55250%0.502SS*.Hα-helixtrans-62.7-43176.4-75174.9-179.9-179.70112.2N140 L141 N147 L148N140-K144 WeakPolarHBondContact O-CG 3.44Å; N140-K144 PolarHBondContact O-N 3.16Å; L141-K144 PolarHBondContact O-N 3.27Å; K144-N147 PolarHBondContact O-N 2.89Å; K144-L148 WeakPolarHBondContact O-CG 3.36Å; K144-L148 PolarHBondContact O-N 3.44Å
145T86.1Confident87.7Confident70 Ų7096.7 Ų96.743%0.42950%0.499SS..Hα-helixtrans-62.5-46.7176.4-58.80000111.4L141 L142 N147 L148 E149L141-T145 PolarHBondContact O-N 3.01Å; L141-T145 PolarHBondContact O-OG1 2.98Å; L141-T145 VanDerWaalsContact O-OG1 3.08Å; L142-T145 PolarHBondContact O-N 2.7Å; T145-N147 VanDerWaalsContact C-N 3.32Å; T145-N147 PolarHBondContact O-N 2.97Å; T145-L148 PolarHBondContact O-N 3.42Å; T145-L148 VanDerWaalsContact O-N 3.15Å; T145-E149 HydrophobicContact CG2-CG 4.46Å; T145-E149 WeakPolarHBondContact O-CG 3.49Å; T145-E149 PolarHBondContact O-N 3.21Å
146S87.2Confident86.9Confident60 Ų6098 Ų9842%0.4250%0.503SS..Hα-helixtrans-61.3-39177.6-175.40000112.6L142 H143 T150L142-S146 WeakPolarHBondContact O-CB 3.49Å; L142-S146 PolarHBondContact O-N 2.97Å; H143-S146 PolarHBondContact O-N 3.41Å; S146-T150 PolarHBondContact O-N 3.39Å; S146-T150 PolarHBondContact O-OG1 3.42Å
147N90.3Very high86.4Confident94 Ų9496.6 Ų96.650%0.50350%0.501SS..Hα-helixtrans-63.9-45.2173.3-72.5-14.2000111.7H143 K144 T145 T150 E151H143-N147 VanDerWaalsContact O-CG 3.32Å; H143-N147 PolarHBondContact O-N 3.48Å; K144-N147 PolarHBondContact O-N 2.89Å; T145-N147 VanDerWaalsContact C-N 3.32Å; T145-N147 PolarHBondContact O-N 2.97Å; N147-T150 WeakPolarHBondContact O-CB 3.45Å; N147-T150 PolarHBondContact O-N 2.9Å; N147-T150 VanDerWaalsContact O-N 3.15Å; N147-E151 PolarHBondContact O-N 3.04Å
148L86.6Confident85.7Confident107 Ų10798.6 Ų98.656%0.5650%0.504SS*.Hα-helixtrans-64.9-38.2178-73.5169.7000112.8K144 T145 T150 E151 L152K144-L148 WeakPolarHBondContact O-CG 3.36Å; K144-L148 PolarHBondContact O-N 3.44Å; T145-L148 PolarHBondContact O-N 3.42Å; T145-L148 VanDerWaalsContact O-N 3.15Å; L148-T150 VanDerWaalsContact C-N 3.29Å; L148-T150 PolarHBondContact O-N 3.22Å; L148-E151 PolarHBondContact O-N 3.33Å; L148-L152 WeakPolarHBondContact O-CB 3.45Å; L148-L152 PolarHBondContact O-N 2.96Å
149E84.9Confident84.9Confident110 Ų11094.1 Ų94.151%0.51450%0.497SS..Hα-helixtrans-61.1-39.9171.6-73.6172.717300111.1T145 L152 N153T145-E149 HydrophobicContact CG2-CG 4.46Å; T145-E149 WeakPolarHBondContact O-CG 3.49Å; T145-E149 PolarHBondContact O-N 3.21Å; E149-L152 PolarHBondContact O-N 2.9Å; E149-N153 WeakPolarHBondContact O-CB 3.42Å; E149-N153 VanDerWaalsContact O-CG 3.25Å; E149-N153 PolarHBondContact O-N 2.88Å; E149-N153 PolarHBondContact O-ND2 3.44Å
150T87Confident84.1Confident74 Ų7496.6 Ų96.645%0.45451%0.506SS..Hα-helixtrans-67.3-45.7177-50.40000111.5S146 N147 L148 N153 I154S146-T150 PolarHBondContact O-N 3.39Å; S146-T150 PolarHBondContact O-OG1 3.42Å; N147-T150 WeakPolarHBondContact O-CB 3.45Å; N147-T150 PolarHBondContact O-N 2.9Å; N147-T150 VanDerWaalsContact O-N 3.15Å; L148-T150 VanDerWaalsContact C-N 3.29Å; L148-T150 PolarHBondContact O-N 3.22Å; T150-N153 PolarHBondContact O-N 2.85Å; T150-I154 HydrophobicContact CG2-CD1 4.36Å; T150-I154 WeakPolarHBondContact O-CG1 3.47Å; T150-I154 PolarHBondContact O-N 3.48Å; T150-I154 VanDerWaalsContact O-N 3.08Å
151E88.5Confident83.4Confident117 Ų11796.2 Ų96.255%0.54751%0.505SS..Hα-helixtrans-63.4-39.5175.4-72-175.7168.700112.2N147 L148 I154 A155N147-E151 PolarHBondContact O-N 3.04Å; L148-E151 PolarHBondContact O-N 3.33Å; E151-I154 PolarHBondContact O-N 3.15Å; E151-A155 WeakPolarHBondContact O-CB 3.45Å; E151-A155 PolarHBondContact O-N 2.97Å
152L84.1Confident82.3Confident106 Ų10693.1 Ų93.156%0.55549%0.494SS*.Hα-helixtrans-64.3-44.3176.1-179.661.9000111.6L148 E149 I154 A155 I156L148-L152 WeakPolarHBondContact O-CB 3.45Å; L148-L152 PolarHBondContact O-N 2.96Å; E149-L152 PolarHBondContact O-N 2.9Å; L152-I154 VanDerWaalsContact C-N 3.32Å; L152-I154 PolarHBondContact O-N 3.4Å; L152-A155 WeakPolarHBondContact O-CB 3.47Å; L152-A155 PolarHBondContact O-N 3.5Å; L152-A155 VanDerWaalsContact O-N 3.11Å; L152-I156 HydrophobicContact CD1-CD1 4.4Å; L152-I156 HydrophobicContact CG-CD1 4.08Å; L152-I156 WeakPolarHBondContact O-CG1 3.4Å; L152-I156 PolarHBondContact O-N 3.42Å
153N84.9Confident81.7Confident100 Ų10092.4 Ų92.454%0.53549%0.491SS..Hα-helixtrans-60.7-41.5175.1-74.6-34.7000111.7E149 T150 A155 I156 V157E149-N153 WeakPolarHBondContact O-CB 3.42Å; E149-N153 VanDerWaalsContact O-CG 3.25Å; E149-N153 PolarHBondContact O-N 2.88Å; E149-N153 PolarHBondContact O-ND2 3.44Å; T150-N153 PolarHBondContact O-N 2.85Å; N153-A155 VanDerWaalsContact C-N 3.31Å; N153-A155 PolarHBondContact O-N 3.06Å; N153-I156 PolarHBondContact O-N 3.07Å; N153-V157 WeakPolarHBondContact O-CG2 3.44Å; N153-V157 PolarHBondContact O-N 3.49Å; N153-V157 VanDerWaalsContact O-N 3.08Å
154I85.9Confident81.1Confident82 Ų8290 Ų9042%0.42148%0.483SS..Hα-helixtrans-63-38.2173.8-67.2164.4000111.2T150 E151 L152 R158T150-I154 HydrophobicContact CG2-CD1 4.36Å; T150-I154 WeakPolarHBondContact O-CG1 3.47Å; T150-I154 PolarHBondContact O-N 3.48Å; T150-I154 VanDerWaalsContact O-N 3.08Å; E151-I154 PolarHBondContact O-N 3.15Å; L152-I154 VanDerWaalsContact C-N 3.32Å; L152-I154 PolarHBondContact O-N 3.4Å; I154-R158 VanDerWaalsContact O-CG 3.27Å; I154-R158 WeakPolarHBondContact O-CG 3.21Å; I154-R158 PolarHBondContact O-N 2.72Å; I154-R158 VanDerWaalsContact O-N 3.11Å
155A75.8Confident80.2Confident56 Ų5688.6 Ų88.646%0.46348%0.481SS..Hα-helixtrans-69-36.3177.100000112.9E151 L152 N153 G159E151-A155 WeakPolarHBondContact O-CB 3.45Å; E151-A155 PolarHBondContact O-N 2.97Å; L152-A155 WeakPolarHBondContact O-CB 3.47Å; L152-A155 PolarHBondContact O-N 3.5Å; L152-A155 VanDerWaalsContact O-N 3.11Å; N153-A155 VanDerWaalsContact C-N 3.31Å; N153-A155 PolarHBondContact O-N 3.06Å; A155-G159 PolarHBondContact O-N 3.08Å
156I73.6Confident79.7Confident82 Ų8291.4 Ų91.442%0.42149%0.487SS..Hα-helixtrans-64-51175-69.9164.8000110.3L152 N153 R158 G159 E160L152-I156 HydrophobicContact CD1-CD1 4.4Å; L152-I156 HydrophobicContact CG-CD1 4.08Å; L152-I156 WeakPolarHBondContact O-CG1 3.4Å; L152-I156 PolarHBondContact O-N 3.42Å; N153-I156 PolarHBondContact O-N 3.07Å; I156-R158 VanDerWaalsContact C-N 3.3Å; I156-R158 PolarHBondContact O-N 2.91Å; I156-G159 WeakPolarHBondContact O-CA 3.4Å; I156-G159 PolarHBondContact O-N 3.43Å; I156-E160 PolarHBondContact O-N 3.47Å
157V79.1Confident79.2Confident76 Ų7695.6 Ų95.646%0.46150%0.5SS..Hα-helixtrans-58.1-41.7177.7173.70000111.5N153 G159 E160 D161N153-V157 WeakPolarHBondContact O-CG2 3.44Å; N153-V157 PolarHBondContact O-N 3.49Å; N153-V157 VanDerWaalsContact O-N 3.08Å; V157-G159 PolarHBondContact O-N 2.89Å; V157-E160 PolarHBondContact O-N 2.98Å; V157-D161 WeakPolarHBondContact O-CB 3.35Å; V157-D161 PolarHBondContact O-N 3.24Å
158R75.9Confident78.5Confident167 Ų16799.1 Ų99.163%0.6351%0.506SS*.Hα-helixtrans-64.6-26.3173.9-73.5172.3179.4178.71.9113.7I154 I156 A162I154-R158 VanDerWaalsContact O-CG 3.27Å; I154-R158 WeakPolarHBondContact O-CG 3.21Å; I154-R158 PolarHBondContact O-N 2.72Å; I154-R158 VanDerWaalsContact O-N 3.11Å; I156-R158 VanDerWaalsContact C-N 3.3Å; I156-R158 PolarHBondContact O-N 2.91Å; R158-A162 WeakPolarHBondContact O-CB 3.34Å; R158-A162 PolarHBondContact O-N 3.36Å
159G71.8Confident77.9Confident33 Ų3399.1 Ų99.134%0.3451%0.506SS..Hα-helixtrans-72.2-47.6172.900000111.4A155 I156 V157 A162 D163A155-G159 PolarHBondContact O-N 3.08Å; I156-G159 WeakPolarHBondContact O-CA 3.4Å; I156-G159 PolarHBondContact O-N 3.43Å; V157-G159 PolarHBondContact O-N 2.89Å; G159-A162 WeakPolarHBondContact O-CB 3.46Å; G159-A162 PolarHBondContact O-N 3.42Å; G159-A162 VanDerWaalsContact O-N 3.11Å; G159-D163 PolarHBondContact O-N 3.25Å
160E76.4Confident77.6Confident120 Ų120101.2 Ų101.256%0.56151%0.513SS*.Hα-helixtrans-57.7-50.2174.1-65.5173164.800110.8I156 V157 A162 D163 D164I156-E160 PolarHBondContact O-N 3.47Å; V157-E160 PolarHBondContact O-N 2.98Å; E160-A162 PolarHBondContact O-N 3.01Å; E160-D163 PolarHBondContact O-N 3.48Å; E160-D163 VanDerWaalsContact O-N 3.11Å; E160-D164 PolarHBondContact O-N 3.37Å
161D75.8Confident77.1Confident93 Ų9399.9 Ų99.950%0.49751%0.51SS..Hα-helixtrans-53.1-37.9173.4-77-29.9000112.8V157 L165V157-D161 WeakPolarHBondContact O-CB 3.35Å; V157-D161 PolarHBondContact O-N 3.24Å; D161-L165 WeakPolarHBondContact O-CB 3.49Å; D161-L165 WeakPolarHBondContact O-CG 3.38Å; D161-L165 PolarHBondContact O-N 3Å
162A66.9Low76.3Confident41 Ų4199.1 Ų99.134%0.33951%0.509SS..Hα-helixtrans-76.8-30.9-178.300000112.8R158 G159 E160 K166R158-A162 WeakPolarHBondContact O-CB 3.34Å; R158-A162 PolarHBondContact O-N 3.36Å; G159-A162 WeakPolarHBondContact O-CB 3.46Å; G159-A162 PolarHBondContact O-N 3.42Å; G159-A162 VanDerWaalsContact O-N 3.11Å; E160-A162 PolarHBondContact O-N 3.01Å; A162-K166 WeakPolarHBondContact O-CG 3.34Å; A162-K166 PolarHBondContact O-N 2.92Å; A162-K166 VanDerWaalsContact O-N 3.11Å
163D75.9Confident75.9Confident88 Ų8899.5 Ų99.547%0.47151%0.508SS..Hα-helixtrans-77.6-39.2174.4-74.3-25.8000111.4G159 E160 L165 K166 E167G159-D163 PolarHBondContact O-N 3.25Å; E160-D163 PolarHBondContact O-N 3.48Å; E160-D163 VanDerWaalsContact O-N 3.11Å; D163-L165 VanDerWaalsContact C-N 3.29Å; D163-L165 PolarHBondContact O-N 3.46Å; D163-K166 WeakPolarHBondContact O-CB 3.41Å; D163-K166 PolarHBondContact O-N 2.9Å; D163-K166 WeakPolarHBondContact OD1-CD 3.46Å; D163-K166 WeakPolarHBondContact OD1-CE 3.38Å; D163-K166 IonicContact OD1-NZ 2.66Å; D163-K166 PolarHBondContact OD1-NZ 3.02Å; D163-E167 PolarHBondContact O-N 3.46Å
164D77Confident75.5Confident87 Ų87101.1 Ų101.147%0.46551%0.513SS..Hα-helixtrans-54.9-44.3167.7-108.338.2000111.6E160 E167 R168E160-D164 PolarHBondContact O-N 3.37Å; D164-E167 PolarHBondContact O-N 3.35Å; D164-R168 WeakPolarHBondContact O-CG 3.37Å; D164-R168 PolarHBondContact O-N 3.22Å; D164-R168 VanDerWaalsContact O-N 3.08Å
165L71.3Confident74.8Confident98 Ų98102.7 Ų102.751%0.51352%0.521SS..Hα-helixtrans-63.7-40174.7-86.3165.3000112.2D161 D163 R168 L169D161-L165 WeakPolarHBondContact O-CB 3.49Å; D161-L165 WeakPolarHBondContact O-CG 3.38Å; D161-L165 PolarHBondContact O-N 3Å; D163-L165 VanDerWaalsContact C-N 3.29Å; D163-L165 PolarHBondContact O-N 3.46Å; L165-R168 PolarHBondContact O-N 2.86Å; L165-L169 WeakPolarHBondContact O-CB 3.26Å; L165-L169 PolarHBondContact O-N 2.79Å
166K74.5Confident74.4Confident129 Ų129104.8 Ų104.856%0.56152%0.52SS*.Hα-helixtrans-64.3-43.9175.8-73.5168-159.5156.40111.9A162 D163 L169 K170A162-K166 WeakPolarHBondContact O-CG 3.34Å; A162-K166 PolarHBondContact O-N 2.92Å; A162-K166 VanDerWaalsContact O-N 3.11Å; D163-K166 WeakPolarHBondContact O-CB 3.41Å; D163-K166 PolarHBondContact O-N 2.9Å; D163-K166 WeakPolarHBondContact OD1-CD 3.46Å; D163-K166 WeakPolarHBondContact OD1-CE 3.38Å; D163-K166 IonicContact OD1-NZ 2.66Å; D163-K166 PolarHBondContact OD1-NZ 3.02Å; K166-L169 PolarHBondContact O-N 3.33Å; K166-K170 WeakPolarHBondContact O-CB 3.48Å; K166-K170 PolarHBondContact O-N 3.11Å
167E76.7Confident74.2Confident147 Ų147105.7 Ų105.769%0.68753%0.526SS*.Hα-helixtrans-60.6-46.9176.8-79.2-151.6148.400111.3D163 D164 L169 K170 A171D163-E167 PolarHBondContact O-N 3.46Å; D164-E167 PolarHBondContact O-N 3.35Å; E167-L169 VanDerWaalsContact C-N 3.3Å; E167-L169 PolarHBondContact O-N 2.91Å; E167-K170 WeakPolarHBondContact O-CB 3.34Å; E167-K170 PolarHBondContact O-N 3.2Å; E167-A171 PolarHBondContact O-N 3.35Å
168R76.9Confident73.9Confident169 Ų169106.6 Ų106.664%0.63853%0.528SS*.Hα-helixtrans-60.6-39175.8-70.3179.6-169.8-169.78.2112.5D164 L165 A171 L172D164-R168 WeakPolarHBondContact O-CG 3.37Å; D164-R168 PolarHBondContact O-N 3.22Å; D164-R168 VanDerWaalsContact O-N 3.08Å; L165-R168 PolarHBondContact O-N 2.86Å; R168-A171 PolarHBondContact O-N 2.94Å; R168-L172 WeakPolarHBondContact O-CB 3.3Å; R168-L172 PolarHBondContact O-N 2.87Å
169L74Confident73.1Confident107 Ų107104.8 Ų104.856%0.5653%0.53SS*.Hα-helixtrans-67.8-38.9178-147.2162000110.9L165 K166 E167 L172 Q173L165-L169 WeakPolarHBondContact O-CB 3.26Å; L165-L169 PolarHBondContact O-N 2.79Å; K166-L169 PolarHBondContact O-N 3.33Å; E167-L169 VanDerWaalsContact C-N 3.3Å; E167-L169 PolarHBondContact O-N 2.91Å; L169-L172 PolarHBondContact O-N 2.99Å; L169-Q173 HydrophobicContact CD2-CG 4.21Å; L169-Q173 WeakPolarHBondContact O-CG 3.33Å; L169-Q173 PolarHBondContact O-N 2.98Å
170K78.2Confident72.5Confident153 Ų153107.2 Ų107.267%0.66554%0.538SS*.Hα-helixtrans-60.5-48.5171.6-121.9-177.2178.6-1740112.2K166 E167 L172 Q173 E174K166-K170 WeakPolarHBondContact O-CB 3.48Å; K166-K170 PolarHBondContact O-N 3.11Å; E167-K170 WeakPolarHBondContact O-CB 3.34Å; E167-K170 PolarHBondContact O-N 3.2Å; K170-L172 VanDerWaalsContact C-N 3.28Å; K170-L172 PolarHBondContact O-N 3.4Å; K170-Q173 WeakPolarHBondContact O-CB 3.22Å; K170-Q173 PolarHBondContact O-N 3.46Å; K170-Q173 VanDerWaalsContact O-N 3.13Å; K170-E174 PolarHBondContact O-N 3.08Å
171A75.9Confident71.7Confident47 Ų47107.6 Ų107.639%0.38854%0.544SS..Hα-helixtrans-63.2-35.2176.500000111.8E167 R168 L175E167-A171 PolarHBondContact O-N 3.35Å; R168-A171 PolarHBondContact O-N 2.94Å; A171-L175 WeakPolarHBondContact O-CG 3.19Å; A171-L175 PolarHBondContact O-N 3.06Å
172L72.6Confident70.3Confident101 Ų101109.2 Ų109.253%0.52955%0.553SS.*Hα-helixtrans-68.1-36.7172.8-128.393.5000112.4R168 L169 K170 L175 F176R168-L172 WeakPolarHBondContact O-CB 3.3Å; R168-L172 PolarHBondContact O-N 2.87Å; L169-L172 PolarHBondContact O-N 2.99Å; K170-L172 VanDerWaalsContact C-N 3.28Å; K170-L172 PolarHBondContact O-N 3.4Å; L172-L175 PolarHBondContact O-N 3.4Å; L172-F176 PolarHBondContact O-N 3.38Å
173Q74.7Confident69Low114 Ų114117.9 Ų117.953%0.53358%0.577SS.*Hα-helixtrans-65.5-45.8173.4-76.9-179.4-55.900111.1L169 K170 L175 F176 D177L169-Q173 HydrophobicContact CD2-CG 4.21Å; L169-Q173 WeakPolarHBondContact O-CG 3.33Å; L169-Q173 PolarHBondContact O-N 2.98Å; K170-Q173 WeakPolarHBondContact O-CB 3.22Å; K170-Q173 PolarHBondContact O-N 3.46Å; K170-Q173 VanDerWaalsContact O-N 3.13Å; Q173-L175 VanDerWaalsContact C-N 3.3Å; Q173-L175 PolarHBondContact O-N 3.2Å; Q173-F176 CarbonylContact O-C 3.59Å; Q173-F176 PolarHBondContact O-N 2.86Å; Q173-F176 VanDerWaalsContact O-N 3.07Å; Q173-D177 PolarHBondContact O-N 3.42Å
174E76.1Confident67.2Low134 Ų134117.9 Ų117.963%0.62658%0.584SS**Hα-helixtrans-57.4-41.9172.3-89.6-177.3151.300112K170 D177 N178K170-E174 PolarHBondContact O-N 3.08Å; E174-D177 PolarHBondContact O-N 2.75Å; E174-N178 WeakPolarHBondContact O-CB 3.43Å; E174-N178 PolarHBondContact O-N 2.96Å; E174-N178 PolarHBondContact O-ND2 2.6Å
175L72.9Confident65.4Low115 Ų115123.1 Ų123.160%0.60261%0.606SS**Hα-helixtrans-63.9-39.3174.1-75.1171.8000112.4A171 L172 Q173 L179A171-L175 WeakPolarHBondContact O-CG 3.19Å; A171-L175 PolarHBondContact O-N 3.06Å; L172-L175 PolarHBondContact O-N 3.4Å; Q173-L175 VanDerWaalsContact C-N 3.3Å; Q173-L175 PolarHBondContact O-N 3.2Å; L175-L179 WeakPolarHBondContact O-CB 3.5Å; L175-L179 PolarHBondContact O-N 3.01Å
176F66.5Low63.8Low100 Ų100124.3 Ų124.344%0.43962%0.617SS.*Hα-helixtrans-67.1-43.7175.4-105.5-75.9000112.5L172 Q173 N178 L179 V180 F199L172-F176 PolarHBondContact O-N 3.38Å; Q173-F176 CarbonylContact O-C 3.59Å; Q173-F176 PolarHBondContact O-N 2.86Å; Q173-F176 VanDerWaalsContact O-N 3.07Å; F176-N178 VanDerWaalsContact C-N 3.33Å; F176-N178 PolarHBondContact O-N 3.15Å; F176-L179 PolarHBondContact O-N 3.01Å; F176-L179 VanDerWaalsContact O-N 3.16Å; F176-V180 WeakPolarHBondContact O-CB 3.37Å; F176-V180 VanDerWaalsContact O-CG2 3.27Å; F176-V180 WeakPolarHBondContact O-CG2 3.47Å; F176-V180 PolarHBondContact O-N 2.98Å; F176-F199 HydrophobicContact CZ-CE1 4.5Å; F176-F199 HydrophobicContact CZ-CZ 4.22Å
177D69.9Low62Low101 Ų101123.8 Ų123.854%0.5463%0.625SS.*Hα-helixtrans-63.9-40.3177.3-71.8-26000110.6Q173 E174 V180 N181Q173-D177 PolarHBondContact O-N 3.42Å; E174-D177 PolarHBondContact O-N 2.75Å; D177-V180 PolarHBondContact O-N 2.85Å; D177-N181 WeakPolarHBondContact O-CB 3.4Å; D177-N181 PolarHBondContact O-N 3.48Å; D177-N181 PolarHBondContact O-ND2 3.37Å
178N71.4Confident60.3Low95 Ų95120.6 Ų120.651%0.50862%0.619SS.*Hα-helixtrans-60.7-46.3170-73.6-42000111.8E174 F176 V180 N181 D182E174-N178 WeakPolarHBondContact O-CB 3.43Å; E174-N178 PolarHBondContact O-N 2.96Å; E174-N178 PolarHBondContact O-ND2 2.6Å; F176-N178 VanDerWaalsContact C-N 3.33Å; F176-N178 PolarHBondContact O-N 3.15Å; N178-V180 VanDerWaalsContact C-N 3.32Å; N178-V180 PolarHBondContact O-N 2.87Å; N178-N181 PolarHBondContact O-N 3.35Å; N178-D182 WeakPolarHBondContact O-CB 3.3Å; N178-D182 PolarHBondContact O-N 3.49Å
179L59.6Low58.8Low128 Ų128120.8 Ų120.867%0.6763%0.627SS**Hα-helixtrans-66.8-30.7179.7-145.293.3000113.3L175 F176 D182L175-L179 WeakPolarHBondContact O-CB 3.5Å; L175-L179 PolarHBondContact O-N 3.01Å; F176-L179 PolarHBondContact O-N 3.01Å; F176-L179 VanDerWaalsContact O-N 3.16Å; L179-D182 CarbonylContact O-C 3.59Å
180V59.6Low57.7Low85 Ų85120.2 Ų120.252%0.51563%0.632SS.*Hα-helixtrans-76.1-33.8175.9168.30000111.2F176 D177 N178 R183F176-V180 WeakPolarHBondContact O-CB 3.37Å; F176-V180 VanDerWaalsContact O-CG2 3.27Å; F176-V180 WeakPolarHBondContact O-CG2 3.47Å; F176-V180 PolarHBondContact O-N 2.98Å; D177-V180 PolarHBondContact O-N 2.85Å; N178-V180 VanDerWaalsContact C-N 3.32Å; N178-V180 PolarHBondContact O-N 2.87Å; V180-R183 WeakPolarHBondContact O-CG 3.4Å
181N60.1Low56.1Low128 Ų128114.7 Ų114.768%0.68462%0.619SS**Hα-helixtrans-72.3-37.6171.7-71.6-34.7000111.7D177 N178 R183D177-N181 WeakPolarHBondContact O-CB 3.4Å; D177-N181 PolarHBondContact O-N 3.48Å; D177-N181 PolarHBondContact O-ND2 3.37Å; N178-N181 PolarHBondContact O-N 3.35Å; N181-R183 PolarHBondContact O-N 2.92Å
182D45.7Very low54.6Low126 Ų126117.2 Ų117.267%0.67463%0.625SS**  trans-76.350171.7-80.2-16.5000112.6N178 L179 S184N178-D182 WeakPolarHBondContact O-CB 3.3Å; N178-D182 PolarHBondContact O-N 3.49Å; L179-D182 CarbonylContact O-C 3.59Å; D182-S184 PolarHBondContact O-N 2.9Å
183R39.1Very low54.1Low223 Ų223115.1 Ų115.184%0.84262%0.622SS**  trans-65.980167.6-97.2-179171.1-155-0.7111V180 N181V180-R183 WeakPolarHBondContact O-CG 3.4Å; N181-R183 PolarHBondContact O-N 2.92Å
184S39.5Very low53.4Low89 Ų89112.7 Ų112.762%0.62262%0.621SS**  trans-89.5131.3163.357.70000110.6D182 T186D182-S184 PolarHBondContact O-N 2.9Å; S184-T186 PolarHBondContact O-N 3.21Å
185E38.7Very low52.3Low197 Ų197108 Ų10892%0.92161%0.606SS**SBendtrans-7848.2-171.3-62.1-175.5130.900114
186T37.1Very low51.7Low122 Ų122107.3 Ų107.375%0.74860%0.603SS**  trans-141.661.5178.959.10000113.8S184S184-T186 PolarHBondContact O-N 3.21Å
187T37.3Very low51.7Low119 Ų119109.5 Ų109.573%0.7361%0.614SS**  trans-106112.9166.341.10000110.5
188S41.4Very low51.7Low80 Ų80111.2 Ų111.256%0.55961%0.614SS**  trans-78154.6178.761.40000111.6S190 G191 L192S188-S190 PolarHBondContact O-N 3.5Å; S188-G191 PolarHBondContact O-N 3.42Å; S188-L192 PolarHBondContact O-N 3.02Å
189E43.8Very low51.4Low172 Ų172112 Ų11280%0.80461%0.613SS**Hα-helixtrans-56.1-27-178.5-65.5179.9131.300113.4L192 A193E189-L192 PolarHBondContact O-N 2.88Å; E189-A193 PolarHBondContact O-N 2.9Å
190S51.1Low52.1Low95 Ų95112.8 Ų112.866%0.66461%0.611SS**Hα-helixtrans-61.7-42.4172.2-176.20000112.8S188 A193 A194S188-S190 PolarHBondContact O-N 3.5Å; S190-A193 PolarHBondContact O-N 3.23Å; S190-A194 PolarHBondContact O-N 3.45Å; S190-A194 VanDerWaalsContact O-N 3.1Å
191G44.5Very low52.8Low38 Ų38111.6 Ų111.639%0.39261%0.607SS.*Hα-helixtrans-68.1-37.8177.100000112.6S188 A194 A195S188-G191 PolarHBondContact O-N 3.42Å; G191-A194 PolarHBondContact O-N 2.84Å; G191-A195 WeakPolarHBondContact O-CB 3.42Å; G191-A195 PolarHBondContact O-N 3.01Å
192L45.9Very low53.3Low100 Ų100108.9 Ų108.952%0.52459%0.59SS.*Hα-helixtrans-65.4-37.6174.5-80.4164.8000112.5S188 E189 N196S188-L192 PolarHBondContact O-N 3.02Å; E189-L192 PolarHBondContact O-N 2.88Å; L192-N196 WeakPolarHBondContact O-CB 3.27Å; L192-N196 PolarHBondContact O-N 3.24Å
193A61.6Low54.5Low57 Ų57108 Ų10847%0.47158%0.582SS.*Hα-helixtrans-65-47.3174.400000111.8E189 S190 A195 N196 E197E189-A193 PolarHBondContact O-N 2.9Å; S190-A193 PolarHBondContact O-N 3.23Å; A193-A195 PolarHBondContact O-N 3.49Å; A193-N196 PolarHBondContact O-N 3.01Å; A193-E197 PolarHBondContact O-N 3.46Å
194A60.6Low56.3Low62 Ų6299.5 Ų99.551%0.51256%0.559SS.*Hα-helixtrans-63.1-39.6176.700000112.6S190 G191 E197 Y198S190-A194 PolarHBondContact O-N 3.45Å; S190-A194 VanDerWaalsContact O-N 3.1Å; G191-A194 PolarHBondContact O-N 2.84Å; A194-E197 PolarHBondContact O-N 3Å; A194-Y198 WeakPolarHBondContact O-CB 3.49Å; A194-Y198 PolarHBondContact O-N 3.31Å
195A52.4Low58Low37 Ų37100.5 Ų100.531%0.30655%0.552SS.*Hα-helixtrans-63.3-42.7173.900000111.9G191 A193 Y198 F199G191-A195 WeakPolarHBondContact O-CB 3.42Å; G191-A195 PolarHBondContact O-N 3.01Å; A193-A195 PolarHBondContact O-N 3.49Å; A195-Y198 PolarHBondContact O-N 3.38Å; A195-F199 HydrophobicContact CB-CD2 4.48Å; A195-F199 HydrophobicContact CB-CE2 4.39Å; A195-F199 WeakPolarHBondContact O-CD2 3.39Å; A195-F199 PolarHBondContact O-N 2.93Å
196N59.5Low59.4Low99 Ų9993.7 Ų93.753%0.52953%0.527SS..Hα-helixtrans-65.2-38.7176.2-91.1-31.6000113.2L192 A193 K200L192-N196 WeakPolarHBondContact O-CB 3.27Å; L192-N196 PolarHBondContact O-N 3.24Å; A193-N196 PolarHBondContact O-N 3.01Å; N196-K200 WeakPolarHBondContact O-CB 3.5Å; N196-K200 WeakPolarHBondContact O-CG 3.32Å; N196-K200 PolarHBondContact O-N 3.18Å
197E67.8Low61.2Low146 Ų14692.8 Ų92.868%0.68251%0.514SS*.Hα-helixtrans-61.2-45.4171.2-78.3-101119.400111A193 A194 K200 S201A193-E197 PolarHBondContact O-N 3.46Å; A194-E197 PolarHBondContact O-N 3Å; E197-K200 PolarHBondContact O-N 3.32Å; E197-S201 WeakPolarHBondContact O-CB 3.4Å; E197-S201 PolarHBondContact O-N 2.93Å
198Y68.2Low63.3Low138 Ų13892.2 Ų92.254%0.54151%0.506SS..Hα-helixtrans-61.7-48.4176.6-178.3-96.8000112.1A194 A195 K200 S201 E202A194-Y198 WeakPolarHBondContact O-CB 3.49Å; A194-Y198 PolarHBondContact O-N 3.31Å; A195-Y198 PolarHBondContact O-N 3.38Å; Y198-K200 VanDerWaalsContact C-N 3.34Å; Y198-K200 PolarHBondContact O-N 2.94Å; Y198-S201 WeakPolarHBondContact O-CB 3.46Å; Y198-S201 PolarHBondContact O-N 3.42Å; Y198-E202 PolarHBondContact O-N 3.41Å
199F65.6Low65Low110 Ų11095.9 Ų95.948%0.48251%0.508SS..Hα-helixtrans-62.9-37.4177.4-76.8-60000112.8F176 A195 E202 Q203F176-F199 HydrophobicContact CZ-CE1 4.5Å; F176-F199 HydrophobicContact CZ-CZ 4.22Å; A195-F199 HydrophobicContact CB-CD2 4.48Å; A195-F199 HydrophobicContact CB-CE2 4.39Å; A195-F199 WeakPolarHBondContact O-CD2 3.39Å; A195-F199 PolarHBondContact O-N 2.93Å; F199-E202 PolarHBondContact O-N 2.96Å; F199-Q203 WeakPolarHBondContact O-CB 3.4Å; F199-Q203 PolarHBondContact O-N 3.37Å
200K74.4Confident66.4Low146 Ų14691.7 Ų91.764%0.63549%0.49SS*.Hα-helixtrans-65.7-41.6172.8-78.21791781800112.4N196 E197 Y198 A204N196-K200 WeakPolarHBondContact O-CB 3.5Å; N196-K200 WeakPolarHBondContact O-CG 3.32Å; N196-K200 PolarHBondContact O-N 3.18Å; E197-K200 PolarHBondContact O-N 3.32Å; Y198-K200 VanDerWaalsContact C-N 3.34Å; Y198-K200 PolarHBondContact O-N 2.94Å; K200-A204 WeakPolarHBondContact O-CB 3.47Å; K200-A204 PolarHBondContact O-N 3.21Å
201S74.5Confident67.7Low60 Ų6089.7 Ų89.742%0.4248%0.479SS..Hα-helixtrans-61.1-46.3175.6-172.90000111.1E197 Y198 A204 K205E197-S201 WeakPolarHBondContact O-CB 3.4Å; E197-S201 PolarHBondContact O-N 2.93Å; Y198-S201 WeakPolarHBondContact O-CB 3.46Å; Y198-S201 PolarHBondContact O-N 3.42Å; S201-A204 PolarHBondContact O-N 3.11Å; S201-K205 WeakPolarHBondContact O-CG 3.46Å; S201-K205 PolarHBondContact O-N 2.88Å
202E70.4Confident69.4Low70 Ų7093.3 Ų93.333%0.32749%0.486SS..Hα-helixtrans-75.2-32.6-178.5-134.262.1-17000112.7Y198 F199 K205 S206Y198-E202 PolarHBondContact O-N 3.41Å; F199-E202 PolarHBondContact O-N 2.96Å; E202-K205 VanDerWaalsContact CD-NZ 3.3Å; E202-K205 PolarHBondContact O-N 3.44Å; E202-K205 IonicContact OE1-NZ 3.11Å; E202-K205 PolarHBondContact OE1-NZ 3.36Å; E202-K205 VanDerWaalsContact OE1-NZ 3.11Å; E202-K205 WeakPolarHBondContact OE2-CD 3.43Å; E202-K205 VanDerWaalsContact OE2-CE 3.31Å; E202-K205 WeakPolarHBondContact OE2-CE 3.46Å; E202-K205 IonicContact OE2-NZ 3.74Å; E202-K205 PolarHBondContact OE2-NZ 2.86Å; E202-S206 WeakPolarHBondContact O-CB 3.37Å; E202-S206 PolarHBondContact O-N 2.92Å
203Q70.4Confident70.8Confident107 Ų10793.8 Ų93.850%0.549%0.489SS..Hα-helixtrans-58.8-50.2166.7-178.5179.3-1200110.3F199 K205 S206 E207F199-Q203 WeakPolarHBondContact O-CB 3.4Å; F199-Q203 PolarHBondContact O-N 3.37Å; Q203-K205 PolarHBondContact O-N 3.22Å; Q203-S206 CarbonylContact O-C 3.53Å; Q203-S206 WeakPolarHBondContact O-CA 3.33Å; Q203-S206 WeakPolarHBondContact O-CB 3.48Å; Q203-S206 PolarHBondContact O-N 2.98Å; Q203-S206 PolarHBondContact O-OG 3.14Å; Q203-E207 HydrophobicContact CG-CG 4.43Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.44Å; Q203-E207 PolarHBondContact NE2-OE1 2.76Å; Q203-E207 WeakPolarHBondContact O-CG 3.39Å; Q203-E207 PolarHBondContact O-N 3.16Å
204A78.3Confident71.8Confident45 Ų4597.8 Ų97.837%0.37250%0.495SS..Hα-helixtrans-62.1-38.7178.900000112.8K200 S201 E207 N208K200-A204 WeakPolarHBondContact O-CB 3.47Å; K200-A204 PolarHBondContact O-N 3.21Å; S201-A204 PolarHBondContact O-N 3.11Å; A204-E207 PolarHBondContact O-N 3.44Å; A204-N208 PolarHBondContact O-N 3.35Å
205K74.5Confident73.1Confident110 Ų110101.6 Ų101.648%0.47850%0.503SS..Hα-helixtrans-63.6-40.8170.9-70.7-176.7-157.1155.30112.2S201 E202 Q203 E207 N208 R209S201-K205 WeakPolarHBondContact O-CG 3.46Å; S201-K205 PolarHBondContact O-N 2.88Å; E202-K205 VanDerWaalsContact CD-NZ 3.3Å; E202-K205 PolarHBondContact O-N 3.44Å; E202-K205 IonicContact OE1-NZ 3.11Å; E202-K205 PolarHBondContact OE1-NZ 3.36Å; E202-K205 VanDerWaalsContact OE1-NZ 3.11Å; E202-K205 WeakPolarHBondContact OE2-CD 3.43Å; E202-K205 VanDerWaalsContact OE2-CE 3.31Å; E202-K205 WeakPolarHBondContact OE2-CE 3.46Å; E202-K205 IonicContact OE2-NZ 3.74Å; E202-K205 PolarHBondContact OE2-NZ 2.86Å; Q203-K205 PolarHBondContact O-N 3.22Å; K205-E207 VanDerWaalsContact C-N 3.35Å; K205-N208 PolarHBondContact O-N 3.22Å; K205-R209 WeakPolarHBondContact O-CB 3.41Å; K205-R209 PolarHBondContact O-N 3.13Å
206S68.4Low74.5Confident55 Ų55103.9 Ų103.939%0.38551%0.513SS..Hα-helixtrans-65.1-39.6177.581.30000111.6E202 Q203 R209 I210E202-S206 WeakPolarHBondContact O-CB 3.37Å; E202-S206 PolarHBondContact O-N 2.92Å; Q203-S206 CarbonylContact O-C 3.53Å; Q203-S206 WeakPolarHBondContact O-CA 3.33Å; Q203-S206 WeakPolarHBondContact O-CB 3.48Å; Q203-S206 PolarHBondContact O-N 2.98Å; Q203-S206 PolarHBondContact O-OG 3.14Å; S206-R209 PolarHBondContact O-N 3.44Å; S206-I210 WeakPolarHBondContact O-CB 3.25Å; S206-I210 WeakPolarHBondContact O-CD1 3.36Å; S206-I210 WeakPolarHBondContact O-CG1 3.43Å; S206-I210 PolarHBondContact O-N 3.4Å
207E75Confident75.5Confident103 Ų103104.4 Ų104.448%0.48151%0.51SS..Hα-helixtrans-66-42.5176.4-72.8172.9-176.100111.5Q203 A204 K205 I210 A211Q203-E207 HydrophobicContact CG-CG 4.43Å; Q203-E207 WeakPolarHBondContact CG-OE1 3.44Å; Q203-E207 PolarHBondContact NE2-OE1 2.76Å; Q203-E207 WeakPolarHBondContact O-CG 3.39Å; Q203-E207 PolarHBondContact O-N 3.16Å; A204-E207 PolarHBondContact O-N 3.44Å; K205-E207 VanDerWaalsContact C-N 3.35Å; E207-I210 PolarHBondContact O-N 3.38Å; E207-A211 PolarHBondContact O-N 2.83Å
208N80.1Confident76.3Confident106 Ų106100.3 Ų100.357%0.56750%0.497SS*.Hα-helixtrans-60.7-45.9171.5-76.1-18.8000111.9A204 K205 I210 A211 E212A204-N208 PolarHBondContact O-N 3.35Å; K205-N208 PolarHBondContact O-N 3.22Å; N208-I210 VanDerWaalsContact C-N 3.3Å; N208-I210 PolarHBondContact O-N 3.27Å; N208-A211 WeakPolarHBondContact O-CA 3.37Å; N208-A211 WeakPolarHBondContact O-CB 3.44Å; N208-A211 PolarHBondContact O-N 3.21Å; N208-E212 PolarHBondContact O-N 3.16Å
209R77.9Confident77.1Confident158 Ų15895.4 Ų95.460%0.59649%0.489SS*.Hα-helixtrans-67.1-31179-165.1146.6179.7155-2.7112.7K205 S206 A211 L213K205-R209 WeakPolarHBondContact O-CB 3.41Å; K205-R209 PolarHBondContact O-N 3.13Å; S206-R209 PolarHBondContact O-N 3.44Å; R209-A211 VanDerWaalsContact C-N 3.35Å; R209-L213 WeakPolarHBondContact O-CB 3.4Å; R209-L213 VanDerWaalsContact O-CG 3.24Å; R209-L213 WeakPolarHBondContact O-CG 3.44Å; R209-L213 PolarHBondContact O-N 2.74Å
210I73.4Confident77.8Confident84 Ų8495 Ų9543%0.43149%0.491SS..Hα-helixtrans-68.1-34.6169.6-72.2164000111.1S206 E207 N208 K214S206-I210 WeakPolarHBondContact O-CB 3.25Å; S206-I210 WeakPolarHBondContact O-CD1 3.36Å; S206-I210 WeakPolarHBondContact O-CG1 3.43Å; S206-I210 PolarHBondContact O-N 3.4Å; E207-I210 PolarHBondContact O-N 3.38Å; N208-I210 VanDerWaalsContact C-N 3.3Å; N208-I210 PolarHBondContact O-N 3.27Å; I210-K214 HydrophobicContact CG2-CD 4.3Å; I210-K214 VanDerWaalsContact O-CG 3.27Å; I210-K214 WeakPolarHBondContact O-CG 3.38Å; I210-K214 PolarHBondContact O-N 3.35Å; I210-K214 VanDerWaalsContact O-N 3.09Å
211A79.1Confident78.2Confident53 Ų5392.7 Ų92.744%0.43848%0.483SS..Hα-helixtrans-67.9-47.5174.100000111.8E207 N208 R209 L213 K214 E215E207-A211 PolarHBondContact O-N 2.83Å; N208-A211 WeakPolarHBondContact O-CA 3.37Å; N208-A211 WeakPolarHBondContact O-CB 3.44Å; N208-A211 PolarHBondContact O-N 3.21Å; R209-A211 VanDerWaalsContact C-N 3.35Å; A211-L213 VanDerWaalsContact C-N 3.34Å; A211-L213 PolarHBondContact O-N 3.37Å; A211-K214 WeakPolarHBondContact O-CB 3.36Å; A211-K214 PolarHBondContact O-N 3.44Å; A211-K214 VanDerWaalsContact O-N 3.09Å; A211-E215 PolarHBondContact O-N 2.83Å
212E79.5Confident78.8Confident114 Ų11496.3 Ų96.353%0.53349%0.493SS..Hα-helixtrans-55.3-46.9173.5-69.2168.8-17700111.5N208 K214 E215 V216N208-E212 PolarHBondContact O-N 3.16Å; E212-K214 VanDerWaalsContact C-N 3.3Å; E212-K214 PolarHBondContact O-N 3.43Å; E212-E215 PolarHBondContact O-N 3.16Å; E212-V216 WeakPolarHBondContact O-CG2 3.44Å; E212-V216 PolarHBondContact O-N 3.43Å
213L75.2Confident79.5Confident110 Ų11098.6 Ų98.658%0.57650%0.502SS*.Hα-helixtrans-64.5-31.8177.6-74170.6000113R209 A211 K217R209-L213 WeakPolarHBondContact O-CB 3.4Å; R209-L213 VanDerWaalsContact O-CG 3.24Å; R209-L213 WeakPolarHBondContact O-CG 3.44Å; R209-L213 PolarHBondContact O-N 2.74Å; A211-L213 VanDerWaalsContact C-N 3.34Å; A211-L213 PolarHBondContact O-N 3.37Å; L213-K217 VanDerWaalsContact O-CB 3.23Å; L213-K217 WeakPolarHBondContact O-CB 3.44Å; L213-K217 PolarHBondContact O-N 2.87Å
214K83.4Confident79.9Confident140 Ų14098.4 Ų98.461%0.60950%0.503SS*.Hα-helixtrans-70.1-39.3173.1-76.6168.4-179.4174.80112I210 A211 E212 K217 S218I210-K214 HydrophobicContact CG2-CD 4.3Å; I210-K214 VanDerWaalsContact O-CG 3.27Å; I210-K214 WeakPolarHBondContact O-CG 3.38Å; I210-K214 PolarHBondContact O-N 3.35Å; I210-K214 VanDerWaalsContact O-N 3.09Å; A211-K214 WeakPolarHBondContact O-CB 3.36Å; A211-K214 PolarHBondContact O-N 3.44Å; A211-K214 VanDerWaalsContact O-N 3.09Å; E212-K214 VanDerWaalsContact C-N 3.3Å; E212-K214 PolarHBondContact O-N 3.43Å; K214-K217 PolarHBondContact O-N 2.85Å; K214-S218 PolarHBondContact O-N 3.45Å
215E86.4Confident80.2Confident143 Ų143102.8 Ų102.867%0.66852%0.516SS*.Hα-helixtrans-64.1-50.3175.5-173.3173-175.100110.8A211 E212 K217 S218 G219A211-E215 PolarHBondContact O-N 2.83Å; E212-E215 PolarHBondContact O-N 3.16Å; E215-K217 VanDerWaalsContact C-N 3.31Å; E215-K217 PolarHBondContact O-N 3.25Å; E215-S218 PolarHBondContact O-N 3.47Å; E215-S218 PolarHBondContact O-OG 3.32Å; E215-G219 PolarHBondContact O-N 2.92Å
216V83.5Confident80.8Confident85 Ų85103.2 Ų103.252%0.51552%0.52SS..Hα-helixtrans-57.2-43.3174.3172.90000111.5E212 S218 G219 L220E212-V216 WeakPolarHBondContact O-CG2 3.44Å; E212-V216 PolarHBondContact O-N 3.43Å; V216-S218 PolarHBondContact O-N 2.94Å; V216-G219 PolarHBondContact O-N 3.26Å; V216-L220 HydrophobicContact CG1-CD1 4.16Å; V216-L220 WeakPolarHBondContact O-CG 3.22Å; V216-L220 PolarHBondContact O-N 2.93Å
217K80.2Confident81.4Confident110 Ų110105.7 Ų105.748%0.47853%0.528SS..Hα-helixtrans-58.2-46.2174.1-176.7-176.7175.6-84.60111.4L213 K214 E215 G219 L220 E221L213-K217 VanDerWaalsContact O-CB 3.23Å; L213-K217 WeakPolarHBondContact O-CB 3.44Å; L213-K217 PolarHBondContact O-N 2.87Å; K214-K217 PolarHBondContact O-N 2.85Å; E215-K217 VanDerWaalsContact C-N 3.31Å; E215-K217 PolarHBondContact O-N 3.25Å; K217-G219 PolarHBondContact O-N 3.35Å; K217-L220 PolarHBondContact O-N 3.31Å; K217-E221 WeakPolarHBondContact CE-OE1 3.32Å; K217-E221 HydrophobicContact CG-CG 4.45Å; K217-E221 IonicContact NZ-OE1 3.4Å; K217-E221 PolarHBondContact NZ-OE1 3.37Å; K217-E221 IonicContact NZ-OE2 2.81Å; K217-E221 PolarHBondContact NZ-OE2 2.97Å; K217-E221 WeakPolarHBondContact O-CG 3.05Å; K217-E221 PolarHBondContact O-N 3.44Å
218S84.6Confident81.7Confident59 Ų59103.6 Ų103.641%0.41352%0.524SS..Hα-helixtrans-64.1-37.9-179.4740000113K214 E215 V216 E221 Q222K214-S218 PolarHBondContact O-N 3.45Å; E215-S218 PolarHBondContact O-N 3.47Å; E215-S218 PolarHBondContact O-OG 3.32Å; V216-S218 PolarHBondContact O-N 2.94Å; S218-E221 PolarHBondContact O-N 3.24Å; S218-Q222 PolarHBondContact O-N 3.37Å
219G83.5Confident82Confident36 Ų36102 Ų10237%0.37152%0.52SS..Hα-helixtrans-67.8-36.4174.500000113E215 V216 K217 K223E215-G219 PolarHBondContact O-N 2.92Å; V216-G219 PolarHBondContact O-N 3.26Å; K217-G219 PolarHBondContact O-N 3.35Å; G219-K223 WeakPolarHBondContact O-CB 3.34Å; G219-K223 PolarHBondContact O-N 2.94Å
220L80.7Confident82.2Confident100 Ų10098.7 Ų98.752%0.52452%0.515SS..Hα-helixtrans-67.6-39.4171.8-70.4171.8000111.9V216 K217 K223 I224V216-L220 HydrophobicContact CG1-CD1 4.16Å; V216-L220 WeakPolarHBondContact O-CG 3.22Å; V216-L220 PolarHBondContact O-N 2.93Å; K217-L220 PolarHBondContact O-N 3.31Å; L220-K223 PolarHBondContact O-N 2.78Å; L220-I224 WeakPolarHBondContact O-CB 3.5Å; L220-I224 WeakPolarHBondContact O-CD1 3.48Å; L220-I224 VanDerWaalsContact O-CG1 3.24Å; L220-I224 WeakPolarHBondContact O-CG1 3.37Å; L220-I224 PolarHBondContact O-N 3.14Å
221E82.2Confident82.7Confident99 Ų99100.9 Ų100.946%0.46352%0.521SS..Hα-helixtrans-63.5-44.6176.2-73.6177.113900111.5K217 S218 K223 I224 E225K217-E221 WeakPolarHBondContact CE-OE1 3.32Å; K217-E221 HydrophobicContact CG-CG 4.45Å; K217-E221 IonicContact NZ-OE1 3.4Å; K217-E221 PolarHBondContact NZ-OE1 3.37Å; K217-E221 IonicContact NZ-OE2 2.81Å; K217-E221 PolarHBondContact NZ-OE2 2.97Å; K217-E221 WeakPolarHBondContact O-CG 3.05Å; K217-E221 PolarHBondContact O-N 3.44Å; S218-E221 PolarHBondContact O-N 3.24Å; E221-K223 PolarHBondContact O-N 2.99Å; E221-I224 PolarHBondContact O-N 3.46Å; E221-E225 PolarHBondContact O-N 2.95Å; E221-E225 VanDerWaalsContact O-N 3.1Å
222Q88.2Confident83.2Confident135 Ų135105 Ų10563%0.63153%0.529SS*.Hα-helixtrans-57.8-47171.2-84.5-174.7-24.100112.3S218 I224 E225 E226S218-Q222 PolarHBondContact O-N 3.37Å; Q222-I224 VanDerWaalsContact C-N 3.32Å; Q222-I224 PolarHBondContact O-N 3.46Å; Q222-E225 WeakPolarHBondContact O-CA 3.48Å; Q222-E225 WeakPolarHBondContact O-CB 3.23Å; Q222-E225 PolarHBondContact O-N 3.01Å; Q222-E226 PolarHBondContact O-N 3.25Å
223K85.9Confident83.6Confident118 Ų118105.3 Ų105.351%0.51353%0.531SS..Hα-helixtrans-68.5-30.8-176.8-165.4146.1-174.5171.70113.2G219 L220 E221 E225 L227G219-K223 WeakPolarHBondContact O-CB 3.34Å; G219-K223 PolarHBondContact O-N 2.94Å; L220-K223 PolarHBondContact O-N 2.78Å; E221-K223 PolarHBondContact O-N 2.99Å; K223-E225 VanDerWaalsContact C-N 3.34Å; K223-L227 WeakPolarHBondContact O-CB 3.29Å; K223-L227 VanDerWaalsContact O-CG 3.29Å; K223-L227 WeakPolarHBondContact O-CG 3.37Å; K223-L227 PolarHBondContact O-N 2.86Å
224I78.4Confident83.9Confident103 Ų103105 Ų10553%0.52853%0.529SS..Hα-helixtrans-66-38.4169.8-71.6164.5000110.6L220 E221 Q222 C228L220-I224 WeakPolarHBondContact O-CB 3.5Å; L220-I224 WeakPolarHBondContact O-CD1 3.48Å; L220-I224 VanDerWaalsContact O-CG1 3.24Å; L220-I224 WeakPolarHBondContact O-CG1 3.37Å; L220-I224 PolarHBondContact O-N 3.14Å; E221-I224 PolarHBondContact O-N 3.46Å; Q222-I224 VanDerWaalsContact C-N 3.32Å; Q222-I224 PolarHBondContact O-N 3.46Å; I224-C228 WeakPolarHBondContact O-CB 3.37Å; I224-C228 PolarHBondContact O-N 3.47Å; I224-C228 PolarHBondContact O-SG 2.95Å
225E85.1Confident83.8Confident137 Ų137102.8 Ų102.864%0.6452%0.521SS*.Hα-helixtrans-69.7-39.8178.7-165.3157.3-142.500112.2E221 Q222 K223 C228 C229E221-E225 PolarHBondContact O-N 2.95Å; E221-E225 VanDerWaalsContact O-N 3.1Å; Q222-E225 WeakPolarHBondContact O-CA 3.48Å; Q222-E225 WeakPolarHBondContact O-CB 3.23Å; Q222-E225 PolarHBondContact O-N 3.01Å; K223-E225 VanDerWaalsContact C-N 3.34Å; E225-C228 WeakPolarHBondContact O-CB 3.4Å; E225-C228 PolarHBondContact O-N 3.03Å; E225-C229 PolarHBondContact O-N 2.88Å; E225-C229 PolarHBondContact O-SG 2.91Å
226E86.5Confident83.9Confident120 Ų120102.3 Ų102.356%0.56152%0.52SS*.Hα-helixtrans-57-53.8168.8-70.5177.5164.100111.6Q222 C228 C229 D230Q222-E226 PolarHBondContact O-N 3.25Å; E226-C228 PolarHBondContact O-N 3.4Å; E226-C229 WeakPolarHBondContact O-CA 3.31Å; E226-C229 WeakPolarHBondContact O-CB 3.42Å; E226-C229 PolarHBondContact O-N 3.25Å; E226-D230 PolarHBondContact O-N 3.05Å
227L79.9Confident84Confident106 Ų106103.1 Ų103.156%0.55552%0.518SS*.Hα-helixtrans-60.7-30.3177.7-72.1170.1000112.9K223 K231K223-L227 WeakPolarHBondContact O-CB 3.29Å; K223-L227 VanDerWaalsContact O-CG 3.29Å; K223-L227 WeakPolarHBondContact O-CG 3.37Å; K223-L227 PolarHBondContact O-N 2.86Å; L227-K231 VanDerWaalsContact O-CB 3.31Å; L227-K231 WeakPolarHBondContact O-CB 3.48Å; L227-K231 PolarHBondContact O-N 2.99Å
228C82.3Confident84Confident60 Ų60103 Ų10341%0.40552%0.522SS..Hα-helixtrans-71.3-29.2172.8-740000112.9I224 E225 E226 K232I224-C228 WeakPolarHBondContact O-CB 3.37Å; I224-C228 PolarHBondContact O-N 3.47Å; I224-C228 PolarHBondContact O-SG 2.95Å; E225-C228 WeakPolarHBondContact O-CB 3.4Å; E225-C228 PolarHBondContact O-N 3.03Å; E226-C228 PolarHBondContact O-N 3.4Å; C228-K232 WeakPolarHBondContact O-CG 3.24Å; C228-K232 PolarHBondContact O-N 3Å
229C85.9Confident84.1Confident71 Ų71105.8 Ų105.848%0.4853%0.529SS..Hα-helixtrans-73.3-47.8172.4-65.40000110.8E225 E226 K231 K232 Q233E225-C229 PolarHBondContact O-N 2.88Å; E225-C229 PolarHBondContact O-SG 2.91Å; E226-C229 WeakPolarHBondContact O-CA 3.31Å; E226-C229 WeakPolarHBondContact O-CB 3.42Å; E226-C229 PolarHBondContact O-N 3.25Å; C229-K231 VanDerWaalsContact C-N 3.31Å; C229-K231 PolarHBondContact O-N 3.36Å; C229-K232 WeakPolarHBondContact O-CB 3.35Å; C229-K232 PolarHBondContact O-N 3.31Å; C229-K232 VanDerWaalsContact O-N 3.07Å; C229-Q233 PolarHBondContact O-N 3.3Å
230D83.2Confident84.4Confident89 Ų89109.8 Ų109.848%0.47654%0.538SS..Hα-helixtrans-55.8-45.1175.3-74.9-2.5000111.7E226 K232 Q233 L234E226-D230 PolarHBondContact O-N 3.05Å; D230-K232 VanDerWaalsContact C-N 3.34Å; D230-K232 PolarHBondContact O-N 2.83Å; D230-Q233 PolarHBondContact O-N 3.39Å; D230-L234 WeakPolarHBondContact O-CG 3.44Å; D230-L234 PolarHBondContact O-N 3.21Å
231K83.7Confident84.4Confident131 Ų131109.6 Ų109.657%0.5753%0.534SS*.Hα-helixtrans-58.1-43.5175.9179.3-179173.3-177.60112.4L227 C229 L234 Q235L227-K231 VanDerWaalsContact O-CB 3.31Å; L227-K231 WeakPolarHBondContact O-CB 3.48Å; L227-K231 PolarHBondContact O-N 2.99Å; C229-K231 VanDerWaalsContact C-N 3.31Å; C229-K231 PolarHBondContact O-N 3.36Å; K231-L234 PolarHBondContact O-N 3.37Å; K231-Q235 WeakPolarHBondContact O-CG 3.3Å; K231-Q235 PolarHBondContact O-N 2.62Å
232K89.5Confident84.5Confident140 Ų140110 Ų11061%0.60954%0.539SS*.Hα-helixtrans-64.8-42.1177.5-73.9169.4-177.5171.60111.1C228 C229 D230 Q235 M236C228-K232 WeakPolarHBondContact O-CG 3.24Å; C228-K232 PolarHBondContact O-N 3Å; C229-K232 WeakPolarHBondContact O-CB 3.35Å; C229-K232 PolarHBondContact O-N 3.31Å; C229-K232 VanDerWaalsContact O-N 3.07Å; D230-K232 VanDerWaalsContact C-N 3.34Å; D230-K232 PolarHBondContact O-N 2.83Å; K232-Q235 PolarHBondContact O-N 3.17Å; K232-M236 WeakPolarHBondContact O-CG 3.35Å; K232-M236 PolarHBondContact O-N 3.03Å
233Q88Confident84.5Confident120 Ų120107.6 Ų107.656%0.56153%0.53SS*.Hα-helixtrans-64.5-41.8178.5-172.2170-7.900111.9C229 D230 M236 Q237C229-Q233 PolarHBondContact O-N 3.3Å; D230-Q233 PolarHBondContact O-N 3.39Å; Q233-M236 PolarHBondContact O-N 3Å; Q233-Q237 WeakPolarHBondContact O-CG 3.28Å; Q233-Q237 PolarHBondContact O-N 3.24Å
234L79.9Confident84.5Confident102 Ų102106.4 Ų106.453%0.53453%0.527SS..Hα-helixtrans-64.7-37.3173.2-71.9168.9000112.5D230 K231 Q237 L238D230-L234 WeakPolarHBondContact O-CG 3.44Å; D230-L234 PolarHBondContact O-N 3.21Å; K231-L234 PolarHBondContact O-N 3.37Å; L234-Q237 PolarHBondContact O-N 2.9Å; L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 PolarHBondContact O-N 3.48Å
235Q82.6Confident84.4Confident95 Ų95108.9 Ų108.944%0.44453%0.53SS..Hα-helixtrans-63.3-43.6173.2-78.4-173.2-99.800112K231 K232 Q237 L238 E239K231-Q235 WeakPolarHBondContact O-CG 3.3Å; K231-Q235 PolarHBondContact O-N 2.62Å; K232-Q235 PolarHBondContact O-N 3.17Å; Q235-Q237 VanDerWaalsContact C-N 3.33Å; Q235-Q237 PolarHBondContact O-N 2.65Å; Q235-L238 PolarHBondContact O-N 3.04Å; Q235-E239 WeakPolarHBondContact O-CG 3.45Å; Q235-E239 PolarHBondContact O-N 2.82Å
236M88.3Confident84.6Confident132 Ų132108.8 Ų108.865%0.6553%0.53SS*.Hα-helixtrans-62.5-38.7175.7-69.8-18065.100112.5K232 Q233 Q240K232-M236 WeakPolarHBondContact O-CG 3.35Å; K232-M236 PolarHBondContact O-N 3.03Å; Q233-M236 PolarHBondContact O-N 3Å; M236-Q240 WeakPolarHBondContact O-CB 3.42Å; M236-Q240 PolarHBondContact O-N 2.97Å
237Q85.2Confident84.7Confident102 Ų102107.4 Ų107.448%0.47752%0.522SS..Hα-helixtrans-65.8-39.5174.6-74178.2-25.800112.3Q233 L234 Q235 Q240 Q241Q233-Q237 WeakPolarHBondContact O-CG 3.28Å; Q233-Q237 PolarHBondContact O-N 3.24Å; L234-Q237 PolarHBondContact O-N 2.9Å; Q235-Q237 VanDerWaalsContact C-N 3.33Å; Q235-Q237 PolarHBondContact O-N 2.65Å; Q237-Q240 PolarHBondContact O-N 3.26Å; Q237-Q241 WeakPolarHBondContact O-CB 3.47Å; Q237-Q241 VanDerWaalsContact O-CG 3.3Å; Q237-Q241 WeakPolarHBondContact O-CG 3.36Å; Q237-Q241 PolarHBondContact O-N 3.47Å
238L81.1Confident84.6Confident108 Ų108106.8 Ų106.857%0.56552%0.519SS*.Hα-helixtrans-66.8-41.7176.3-176.464.6000111.9L234 Q235 Q241 L242L234-L238 WeakPolarHBondContact O-CB 3.42Å; L234-L238 PolarHBondContact O-N 3.48Å; Q235-L238 PolarHBondContact O-N 3.04Å; L238-Q241 PolarHBondContact O-N 3.26Å; L238-L242 HydrophobicContact CG-CD1 4.45Å; L238-L242 WeakPolarHBondContact O-CG 3.45Å; L238-L242 PolarHBondContact O-N 2.89Å
239E86.4Confident84.8Confident118 Ų118105.9 Ų105.955%0.55152%0.52SS*.Hα-helixtrans-60.6-46.2173.1-74.8171.7-178.400110.8Q235 Q241 L242 D243Q235-E239 WeakPolarHBondContact O-CG 3.45Å; Q235-E239 PolarHBondContact O-N 2.82Å; E239-Q241 PolarHBondContact O-N 3.42Å; E239-L242 PolarHBondContact O-N 2.82Å; E239-D243 WeakPolarHBondContact O-CB 3.23Å; E239-D243 PolarHBondContact O-N 3.32Å
240Q89.3Confident84.9Confident119 Ų119108.4 Ų108.456%0.55653%0.525SS*.Hα-helixtrans-60.8-41.1175.8-175.2179.2-15.800112.8M236 Q237 D243 E244M236-Q240 WeakPolarHBondContact O-CB 3.42Å; M236-Q240 PolarHBondContact O-N 2.97Å; Q237-Q240 PolarHBondContact O-N 3.26Å; Q240-D243 VanDerWaalsContact O-CB 3.3Å; Q240-D243 WeakPolarHBondContact O-CB 3.39Å; Q240-D243 PolarHBondContact O-N 3.02Å; Q240-E244 PolarHBondContact NE2-OE1 2.99Å; Q240-E244 WeakPolarHBondContact O-CG 3.39Å; Q240-E244 PolarHBondContact O-N 3.49Å
241Q81.1Confident85Confident97 Ų97110.3 Ų110.345%0.45353%0.529SS..Hα-helixtrans-61.2-44.7174.6-77.2-91.6-63.200111.7Q237 L238 E239 D243 E244 Y245Q237-Q241 WeakPolarHBondContact O-CB 3.47Å; Q237-Q241 VanDerWaalsContact O-CG 3.3Å; Q237-Q241 WeakPolarHBondContact O-CG 3.36Å; Q237-Q241 PolarHBondContact O-N 3.47Å; L238-Q241 PolarHBondContact O-N 3.26Å; E239-Q241 PolarHBondContact O-N 3.42Å; Q241-D243 VanDerWaalsContact C-N 3.32Å; Q241-D243 PolarHBondContact O-N 2.91Å; Q241-E244 PolarHBondContact O-N 3.5Å; Q241-E244 VanDerWaalsContact O-N 3.11Å; Q241-Y245 WeakPolarHBondContact O-CD2 3.34Å; Q241-Y245 PolarHBondContact O-N 2.85Å
242L85Confident84.7Confident106 Ų106107.2 Ų107.256%0.55552%0.523SS*.Hα-helixtrans-61.3-42.1176.6-70.5168000111.5L238 E239 E244 Y245 E246L238-L242 HydrophobicContact CG-CD1 4.45Å; L238-L242 WeakPolarHBondContact O-CG 3.45Å; L238-L242 PolarHBondContact O-N 2.89Å; E239-L242 PolarHBondContact O-N 2.82Å; L242-E244 VanDerWaalsContact C-N 3.25Å; L242-E244 PolarHBondContact O-N 3.18Å; L242-Y245 PolarHBondContact O-N 3.47Å; L242-E246 PolarHBondContact O-N 3.32Å
243D88.4Confident84.5Confident85 Ų85103.2 Ų103.246%0.45552%0.516SS..Hα-helixtrans-59.4-32.3173.4-122.257.9000113E239 Q240 Q241 K247E239-D243 WeakPolarHBondContact O-CB 3.23Å; E239-D243 PolarHBondContact O-N 3.32Å; Q240-D243 VanDerWaalsContact O-CB 3.3Å; Q240-D243 WeakPolarHBondContact O-CB 3.39Å; Q240-D243 PolarHBondContact O-N 3.02Å; Q241-D243 VanDerWaalsContact C-N 3.32Å; Q241-D243 PolarHBondContact O-N 2.91Å; D243-K247 WeakPolarHBondContact O-CD 3.5Å; D243-K247 WeakPolarHBondContact O-CG 3.31Å; D243-K247 PolarHBondContact O-N 2.92Å; D243-K247 PolarHBondContact O-NZ 3.03Å; D243-K247 IonicContact OD2-NZ 3.77Å; D243-K247 PolarHBondContact OD2-NZ 2.91Å
244E85.5Confident84.3Confident94 Ų94102 Ų10244%0.43952%0.517SS..Hα-helixtrans-79.6-38.7176-74.7172.8-165.800111.7Q240 Q241 L242 K247 L248Q240-E244 PolarHBondContact NE2-OE1 2.99Å; Q240-E244 WeakPolarHBondContact O-CG 3.39Å; Q240-E244 PolarHBondContact O-N 3.49Å; Q241-E244 PolarHBondContact O-N 3.5Å; Q241-E244 VanDerWaalsContact O-N 3.11Å; L242-E244 VanDerWaalsContact C-N 3.25Å; L242-E244 PolarHBondContact O-N 3.18Å; E244-K247 PolarHBondContact O-N 3.41Å; E244-L248 WeakPolarHBondContact O-CB 3.46Å; E244-L248 PolarHBondContact O-N 3.44Å
245Y76.6Confident83.8Confident154 Ų154102.1 Ų102.160%0.60452%0.517SS*.Hα-helixtrans-62.7-41.7172.6-86.3-70.4000112.4Q241 L242 L248 G249Q241-Y245 WeakPolarHBondContact O-CD2 3.34Å; Q241-Y245 PolarHBondContact O-N 2.85Å; L242-Y245 PolarHBondContact O-N 3.47Å; Y245-L248 WeakPolarHBondContact O-CB 3.45Å; Y245-L248 PolarHBondContact O-N 3.32Å; Y245-G249 PolarHBondContact O-N 3.47Å
246E88.5Confident83.4Confident136 Ų136102.7 Ų102.764%0.63652%0.52SS*.Hα-helixtrans-63.1-49176.8-172.2167.8-148.100111.1L242 L248 G249 E250L242-E246 PolarHBondContact O-N 3.32Å; E246-L248 PolarHBondContact O-N 2.91Å; E246-G249 CarbonylContact O-C 3.57Å; E246-G249 WeakPolarHBondContact O-CA 3.43Å; E246-G249 PolarHBondContact O-N 3.43Å; E246-E250 PolarHBondContact O-N 2.91Å
247K88.6Confident83Confident90 Ų9098.9 Ų98.939%0.39151%0.509SS..Hα-helixtrans-59.7-30.6173.8-69.1172.1-164.6102.50113D243 E244 K251D243-K247 WeakPolarHBondContact O-CD 3.5Å; D243-K247 WeakPolarHBondContact O-CG 3.31Å; D243-K247 PolarHBondContact O-N 2.92Å; D243-K247 PolarHBondContact O-NZ 3.03Å; D243-K247 IonicContact OD2-NZ 3.77Å; D243-K247 PolarHBondContact OD2-NZ 2.91Å; E244-K247 PolarHBondContact O-N 3.41Å; K247-K251 WeakPolarHBondContact O-CD 3.41Å; K247-K251 VanDerWaalsContact O-CG 3.27Å; K247-K251 WeakPolarHBondContact O-CG 3.45Å; K247-K251 PolarHBondContact O-N 3.05Å
248L78.1Confident82.5Confident94 Ų94101.9 Ų101.949%0.49252%0.516SS..Hα-helixtrans-73.3-40.3174-163.970.1000111E244 Y245 E246 K251 C252E244-L248 WeakPolarHBondContact O-CB 3.46Å; E244-L248 PolarHBondContact O-N 3.44Å; Y245-L248 WeakPolarHBondContact O-CB 3.45Å; Y245-L248 PolarHBondContact O-N 3.32Å; E246-L248 PolarHBondContact O-N 2.91Å; L248-K251 PolarHBondContact O-N 2.99Å; L248-C252 PolarHBondContact O-N 3.2Å; L248-C252 PolarHBondContact O-SG 2.89Å; L248-C252 VanDerWaalsContact O-SG 3.35Å
249G85.1Confident81.9Confident41 Ų41102.1 Ų102.142%0.42352%0.517SS..Hα-helixtrans-57.1-46.617100000112.7Y245 E246 K251 C252 A253Y245-G249 PolarHBondContact O-N 3.47Å; E246-G249 CarbonylContact O-C 3.57Å; E246-G249 WeakPolarHBondContact O-CA 3.43Å; E246-G249 PolarHBondContact O-N 3.43Å; G249-K251 PolarHBondContact O-N 2.9Å; G249-C252 PolarHBondContact O-N 3.43Å; G249-A253 WeakPolarHBondContact O-CB 3.48Å; G249-A253 PolarHBondContact O-N 3.05Å
250E88.3Confident81.2Confident123 Ų123102 Ų10258%0.57552%0.515SS*.Hα-helixtrans-59.6-42.7174.5-68.6-173.7146.200112.6E246 A253 T254E246-E250 PolarHBondContact O-N 2.91Å; E250-A253 PolarHBondContact O-N 2.67Å; E250-T254 WeakPolarHBondContact O-CB 3.39Å; E250-T254 PolarHBondContact O-N 3.02Å; E250-T254 PolarHBondContact O-OG1 3.2Å
251K85.8Confident80.3Confident130 Ų130103 Ų10357%0.56552%0.519SS*.Hα-helixtrans-63.6-43175.7-73.4166.5-173.4169.50111.6K247 L248 G249 T254 L255K247-K251 WeakPolarHBondContact O-CD 3.41Å; K247-K251 VanDerWaalsContact O-CG 3.27Å; K247-K251 WeakPolarHBondContact O-CG 3.45Å; K247-K251 PolarHBondContact O-N 3.05Å; L248-K251 PolarHBondContact O-N 2.99Å; G249-K251 PolarHBondContact O-N 2.9Å; K251-T254 PolarHBondContact O-N 3.37Å; K251-L255 WeakPolarHBondContact O-CG 3.44Å; K251-L255 PolarHBondContact O-N 3.02Å
252C77Confident79.4Confident65 Ų65103.6 Ų103.644%0.43952%0.523SS..Hα-helixtrans-62.7-47.1175.3-720000111.4L248 G249 T254 L255 E256L248-C252 PolarHBondContact O-N 3.2Å; L248-C252 PolarHBondContact O-SG 2.89Å; L248-C252 VanDerWaalsContact O-SG 3.35Å; G249-C252 PolarHBondContact O-N 3.43Å; C252-T254 VanDerWaalsContact C-N 3.3Å; C252-T254 PolarHBondContact O-N 3.3Å; C252-L255 PolarHBondContact O-N 3.43Å; C252-L255 VanDerWaalsContact O-N 3.16Å; C252-E256 PolarHBondContact O-N 3.44Å
253A85.3Confident78.2Confident56 Ų56100.3 Ų100.346%0.46351%0.512SS..Hα-helixtrans-60.2-38.6175.300000112.4G249 E250 E256 A257G249-A253 WeakPolarHBondContact O-CB 3.48Å; G249-A253 PolarHBondContact O-N 3.05Å; E250-A253 PolarHBondContact O-N 2.67Å; A253-E256 PolarHBondContact O-N 3.35Å; A253-A257 WeakPolarHBondContact O-CB 3.47Å; A253-A257 PolarHBondContact O-N 3.43Å
254T83.5Confident76.7Confident95 Ų95101.2 Ų101.258%0.58351%0.513SS*.Hα-helixtrans-65.6-42174.8-56.70000111.7E250 K251 C252 A257 R258E250-T254 WeakPolarHBondContact O-CB 3.39Å; E250-T254 PolarHBondContact O-N 3.02Å; E250-T254 PolarHBondContact O-OG1 3.2Å; K251-T254 PolarHBondContact O-N 3.37Å; C252-T254 VanDerWaalsContact C-N 3.3Å; C252-T254 PolarHBondContact O-N 3.3Å; T254-A257 PolarHBondContact O-N 2.91Å; T254-R258 WeakPolarHBondContact O-CB 3.46Å; T254-R258 PolarHBondContact O-N 2.68Å
255L69.8Low75Confident104 Ų104100 Ų10055%0.54552%0.515SS..Hα-helixtrans-65.7-42.8174.8-75.4169.7000111.6K251 C252 R258 I259K251-L255 WeakPolarHBondContact O-CG 3.44Å; K251-L255 PolarHBondContact O-N 3.02Å; C252-L255 PolarHBondContact O-N 3.43Å; C252-L255 VanDerWaalsContact O-N 3.16Å; L255-R258 PolarHBondContact O-N 3Å; L255-I259 WeakPolarHBondContact O-CB 3.35Å; L255-I259 VanDerWaalsContact O-CG1 3.24Å; L255-I259 WeakPolarHBondContact O-CG1 3.3Å; L255-I259 PolarHBondContact O-N 3.47Å
256E75.4Confident73.4Confident107 Ų10799.4 Ų99.450%0.552%0.518SS..Hα-helixtrans-60.7-44.7173.7-79.3-168.4-157.400112.7C252 A253 R258 I259 K260C252-E256 PolarHBondContact O-N 3.44Å; A253-E256 PolarHBondContact O-N 3.35Å; E256-R258 VanDerWaalsContact C-N 3.3Å; E256-R258 PolarHBondContact O-N 2.87Å; E256-I259 PolarHBondContact O-N 3.38Å; E256-K260 WeakPolarHBondContact O-CB 3.44Å; E256-K260 VanDerWaalsContact O-CG 3.31Å; E256-K260 WeakPolarHBondContact O-CG 3.49Å; E256-K260 PolarHBondContact O-N 3.05Å; E256-K260 IonicContact OE2-NZ 2.62Å; E256-K260 PolarHBondContact OE2-NZ 3.28Å
257A78.8Confident71.4Confident52 Ų52101.2 Ų101.243%0.4352%0.519SS..Hα-helixtrans-59.8-43.8175.700000110.5A253 T254 K260 E261A253-A257 WeakPolarHBondContact O-CB 3.47Å; A253-A257 PolarHBondContact O-N 3.43Å; T254-A257 PolarHBondContact O-N 2.91Å; A257-K260 WeakPolarHBondContact O-CB 3.36Å; A257-K260 PolarHBondContact O-N 3.43Å; A257-E261 PolarHBondContact O-N 2.72Å
258R74.7Confident69.3Low166 Ų166107.8 Ų107.863%0.62654%0.541SS*.Hα-helixtrans-67.1-36.5177.3-163.1173.9-173.11712.3113T254 L255 E256 E261 M262T254-R258 WeakPolarHBondContact O-CB 3.46Å; T254-R258 PolarHBondContact O-N 2.68Å; L255-R258 PolarHBondContact O-N 3Å; E256-R258 VanDerWaalsContact C-N 3.3Å; E256-R258 PolarHBondContact O-N 2.87Å; R258-E261 PolarHBondContact O-N 2.84Å; R258-M262 WeakPolarHBondContact O-CB 3.42Å; R258-M262 VanDerWaalsContact O-CG 3.3Å; R258-M262 WeakPolarHBondContact O-CG 3.47Å; R258-M262 PolarHBondContact O-N 2.99Å
259I68.1Low67.5Low112 Ų112114.1 Ų114.157%0.57456%0.56SS**Hα-helixtrans-66.2-42172.4-70.9163.3000110.4L255 E256 M262 A263L255-I259 WeakPolarHBondContact O-CB 3.35Å; L255-I259 VanDerWaalsContact O-CG1 3.24Å; L255-I259 WeakPolarHBondContact O-CG1 3.3Å; L255-I259 PolarHBondContact O-N 3.47Å; E256-I259 PolarHBondContact O-N 3.38Å; I259-M262 PolarHBondContact O-N 3.45Å; I259-A263 WeakPolarHBondContact O-CB 3.49Å; I259-A263 PolarHBondContact O-N 3.31Å
260K72.1Confident65Low116 Ų116114.6 Ų114.650%0.50457%0.565SS.*Hα-helixtrans-62.5-42.6173.5-73.8160.6-179.3152.50111.1E256 A257 A263 H264E256-K260 WeakPolarHBondContact O-CB 3.44Å; E256-K260 VanDerWaalsContact O-CG 3.31Å; E256-K260 WeakPolarHBondContact O-CG 3.49Å; E256-K260 PolarHBondContact O-N 3.05Å; E256-K260 IonicContact OE2-NZ 2.62Å; E256-K260 PolarHBondContact OE2-NZ 3.28Å; A257-K260 WeakPolarHBondContact O-CB 3.36Å; A257-K260 PolarHBondContact O-N 3.43Å; K260-A263 PolarHBondContact O-N 3.04Å; K260-H264 WeakPolarHBondContact O-CB 3.32Å; K260-H264 PolarHBondContact O-CD2 2.98Å; K260-H264 VanDerWaalsContact O-CG 3.26Å; K260-H264 PolarHBondContact O-N 3.47Å
261E70.2Confident62.3Low139 Ų139112.6 Ų112.665%0.6558%0.578SS**Hα-helixtrans-63-42173.1-77.4-166.614700112.7A257 R258 H264 S265A257-E261 PolarHBondContact O-N 2.72Å; R258-E261 PolarHBondContact O-N 2.84Å; E261-H264 CarbonylContact O-C 3.56Å; E261-H264 PolarHBondContact O-N 3.04Å; E261-H264 VanDerWaalsContact O-N 3.13Å; E261-S265 PolarHBondContact O-N 3.36Å; E261-S265 PolarHBondContact O-OG 3.36Å
262M62.4Low59.9Low110 Ų110109 Ų10954%0.54258%0.577SS.*Hα-helixtrans-62.1-45.4174.1-74.817759.600111.6R258 I259 H264 S265 E266R258-M262 WeakPolarHBondContact O-CB 3.42Å; R258-M262 VanDerWaalsContact O-CG 3.3Å; R258-M262 WeakPolarHBondContact O-CG 3.47Å; R258-M262 PolarHBondContact O-N 2.99Å; I259-M262 PolarHBondContact O-N 3.45Å; M262-H264 PolarHBondContact O-N 3.32Å; M262-S265 WeakPolarHBondContact CA-OG 3.37Å; M262-S265 PolarHBondContact O-N 3.24Å; M262-S265 PolarHBondContact O-OG 3.22Å; M262-S265 VanDerWaalsContact O-OG 3.06Å; M262-E266 WeakPolarHBondContact O-CB 3.38Å; M262-E266 WeakPolarHBondContact O-CG 3.48Å; M262-E266 PolarHBondContact O-N 3.21Å
263A60.2Low57.9Low38 Ų38114.7 Ų114.731%0.31460%0.599SS.*Hα-helixtrans-67-14.9174.400000113.9I259 K260 R267I259-A263 WeakPolarHBondContact O-CB 3.49Å; I259-A263 PolarHBondContact O-N 3.31Å; K260-A263 PolarHBondContact O-N 3.04Å; A263-R267 PolarHBondContact O-NE 2.78Å
264H56.2Low55.7Low103 Ų103120 Ų12048%0.47762%0.619SS.*Hα-helixtrans-92.9-34.6171.5-74.1-43.9000112.9K260 E261 M262 R267 R268K260-H264 WeakPolarHBondContact O-CB 3.32Å; K260-H264 PolarHBondContact O-CD2 2.98Å; K260-H264 VanDerWaalsContact O-CG 3.26Å; K260-H264 PolarHBondContact O-N 3.47Å; E261-H264 CarbonylContact O-C 3.56Å; E261-H264 PolarHBondContact O-N 3.04Å; E261-H264 VanDerWaalsContact O-N 3.13Å; M262-H264 PolarHBondContact O-N 3.32Å; H264-R267 PolarHBondContact O-N 2.93Å; H264-R268 PolarHBondContact O-N 3.32Å; H264-R268 VanDerWaalsContact O-N 3.1Å
265S49.6Very low53.6Low68 Ų68118.9 Ų118.948%0.47663%0.627SS.*Hα-helixtrans-72.7-40.5175.866.10000111.3E261 M262 R267 R268 Y269E261-S265 PolarHBondContact O-N 3.36Å; E261-S265 PolarHBondContact O-OG 3.36Å; M262-S265 WeakPolarHBondContact CA-OG 3.37Å; M262-S265 PolarHBondContact O-N 3.24Å; M262-S265 PolarHBondContact O-OG 3.22Å; M262-S265 VanDerWaalsContact O-OG 3.06Å; S265-R267 VanDerWaalsContact C-N 3.27Å; S265-R267 PolarHBondContact O-N 3.06Å; S265-R268 PolarHBondContact O-N 3.2Å; S265-Y269 PolarHBondContact O-N 2.96Å; S265-Y269 VanDerWaalsContact O-N 3.16Å
266E44Very low52.2Low143 Ų143117.4 Ų117.467%0.66864%0.637SS**Hα-helixtrans-56.9-40.2167-75.4-174.114700111.4M262 R268 Y269 G270M262-E266 WeakPolarHBondContact O-CB 3.38Å; M262-E266 WeakPolarHBondContact O-CG 3.48Å; M262-E266 PolarHBondContact O-N 3.21Å; E266-R268 VanDerWaalsContact C-N 3.32Å; E266-R268 PolarHBondContact O-N 3.13Å; E266-Y269 PolarHBondContact O-N 2.91Å; E266-G270 VanDerWaalsContact O-CA 3.32Å; E266-G270 WeakPolarHBondContact O-CA 3.33Å; E266-G270 PolarHBondContact O-N 3.38Å
267R46.2Very low50.8Low173 Ų173122.4 Ų122.465%0.65365%0.651SS**Hα-helixtrans-69.2-22.3175.5-92.7-168.5-81.5-172.9-9114.9A263 H264 S265A263-R267 PolarHBondContact O-NE 2.78Å; H264-R267 PolarHBondContact O-N 2.93Å; S265-R267 VanDerWaalsContact C-N 3.27Å; S265-R267 PolarHBondContact O-N 3.06Å
268R44.2Very low49.5Very low228 Ų228125.6 Ų125.686%0.8666%0.66SS**Hα-helixtrans-83-29.8174.6-72.8-166.7-172.2-169.45.7113.4H264 S265 E266H264-R268 PolarHBondContact O-N 3.32Å; H264-R268 VanDerWaalsContact O-N 3.1Å; S265-R268 PolarHBondContact O-N 3.2Å; E266-R268 VanDerWaalsContact C-N 3.32Å; E266-R268 PolarHBondContact O-N 3.13Å
269Y41.2Very low48.5Very low227 Ų227122.8 Ų122.889%0.8966%0.656SS**Hα-helixtrans-95.2-20.4175.2-95.4-86.7000114.2S265 E266S265-Y269 PolarHBondContact O-N 2.96Å; S265-Y269 VanDerWaalsContact O-N 3.16Å; E266-Y269 PolarHBondContact O-N 2.91Å
270G32.7Very low47.9Very low52 Ų52119.2 Ų119.254%0.53665%0.647SS.*  trans-104.145.117800000113.5E266 G272E266-G270 VanDerWaalsContact O-CA 3.32Å; E266-G270 WeakPolarHBondContact O-CA 3.33Å; E266-G270 PolarHBondContact O-N 3.38Å; G270-G272 PolarHBondContact O-N 2.87Å
271G31.8Very low47.4Very low81 Ų81116.3 Ų116.384%0.83564%0.64SS**  trans-69.754.7174.900000113.6
272G33.6Very low47Very low53 Ų53115.6 Ų115.655%0.54665%0.645SS.*SBendtrans-169.6101.7-172.500000114.8G270 L274G270-G272 PolarHBondContact O-N 2.87Å; G272-L274 PolarHBondContact O-N 2.87Å; G272-L274 VanDerWaalsContact O-N 3.07Å
273M35.9Very low46.9Very low186 Ų186114.1 Ų114.192%0.91664%0.639SS**SBendtrans69.2-10.4148.6-63.2-17768.100122.6
274L39.7Very low47.2Very low167 Ų167113.3 Ų113.387%0.87463%0.631SS**  trans-111.630.3-178.8-66.1178000115.9G272 G276G272-L274 PolarHBondContact O-N 2.87Å; G272-L274 VanDerWaalsContact O-N 3.07Å; L274-G276 PolarHBondContact O-N 3.31Å
275G39Very low47.6Very low72 Ų72113.9 Ų113.974%0.74264%0.644SS**SBendtrans-67.997.8169.700000112.4R277G275-R277 VanDerWaalsContact C-N 3.28Å; G275-R277 PolarHBondContact O-N 3.37Å
276G39.9Very low48.4Very low73 Ų73116 Ų11675%0.75364%0.641SS**  trans49.632.2150.700000117.9L274 L278L274-G276 PolarHBondContact O-N 3.31Å; G276-L278 VanDerWaalsContact C-N 3.31Å; G276-L278 PolarHBondContact O-N 2.88Å
277R46.2Very low49.2Very low212 Ų212112 Ų11280%0.862%0.624SS**  trans-67.890.9175.6-77.4-173.6-180-114.72.4109.8G275 I279G275-R277 VanDerWaalsContact C-N 3.28Å; G275-R277 PolarHBondContact O-N 3.37Å; R277-I279 PolarHBondContact O-N 3.01Å
278L51.7Low49.8Very low119 Ų119107.9 Ų107.962%0.62363%0.627SS**  trans-47.9130.3157.9-71171.4000108G276 G280G276-L278 VanDerWaalsContact C-N 3.31Å; G276-L278 PolarHBondContact O-N 2.88Å; L278-G280 PolarHBondContact O-N 3.2Å
279I53Low50.3Low106 Ų106100.7 Ų100.754%0.54461%0.605SS.*SBendtrans-65.1120.7-172.7-59.9178.3000109R277 V332 I336R277-I279 PolarHBondContact O-N 3.01Å; I279-V332 HydrophobicContact CG2-CG1 3.57Å; I279-I336 HydrophobicContact CD1-CD1 3.8Å; I279-I336 HydrophobicContact CG2-CD1 4.03Å
280G55Low50.9Low37 Ų3796.3 Ų96.338%0.38160%0.597SS.*SBendtrans129.5-175.2-177.400000112.9L278L278-G280 PolarHBondContact O-N 3.2Å
281P62.5Low52Low55 Ų55104 Ų10436%0.35762%0.616SS.*SBendtrans-63.6151.5172.527.1-34.7000111.6L325 R329P281-L325 HydrophobicContact CG-CD2 3.63Å; P281-R329 PolarHBondContact O-NH2 3.47Å
282T61.5Low53.2Low125 Ų125105.9 Ų105.977%0.76760%0.601SS**PPolyproline II helixtrans-58.1136.9174.7-44.80000109.9
283L60Low54.2Low78 Ų78109.1 Ų109.141%0.40861%0.605SS.*PPolyproline II helixtrans-62142.8175-71.5171.6000110.5I287L283-I287 HydrophobicContact CB-CD1 4.46Å; L283-I287 HydrophobicContact CD2-CD1 4.3Å
284P66.7Low55.2Low21 Ų21108.9 Ų108.914%0.13660%0.602CS.*PPolyproline II helixtrans-51.8137.4172.3-29.335.2000112.4W286 I287P284-W286 HydrophobicContact CB-CD2 4.4Å; P284-W286 HydrophobicContact CB-CG 4.33Å; P284-W286 HydrophobicContact CB-CZ2 4.34Å; P284-W286 PolarHBondContact O-N 2.8Å; P284-I287 HydrophobicContact CB-CD1 4.36Å; P284-I287 HydrophobicContact CG-CD1 4.3Å; P284-I287 PolarHBondContact O-N 3.36Å; P284-I287 VanDerWaalsContact O-N 3.16Å
285P64.9Low56.1Low115 Ų115106.9 Ų106.975%0.74759%0.592SS**G310 helixtrans-57.5-27.5-172-28.135.2000115.3I287 A288P285-I287 PolarHBondContact O-N 3.33Å; P285-A288 PolarHBondContact O-N 2.99Å
286W65.7Low57.4Low114 Ų114106.8 Ų106.843%0.43258%0.575SS.*G310 helixtrans-69.4-16.4-177.256-100.6000114.2P284 Q318 L322P284-W286 HydrophobicContact CB-CD2 4.4Å; P284-W286 HydrophobicContact CB-CG 4.33Å; P284-W286 HydrophobicContact CB-CZ2 4.34Å; P284-W286 PolarHBondContact O-N 2.8Å; W286-Q318 HydrophobicContact CH2-CB 3.99Å; W286-Q318 HydrophobicContact CZ2-CB 3.8Å; W286-Q318 HydrophobicContact CZ2-CG 3.99Å; W286-L322 HydrophobicContact CH2-CD1 3.63Å; W286-L322 HydrophobicContact CH2-CG 4.36Å; W286-L322 HydrophobicContact CZ2-CD1 4.3Å; W286-L322 HydrophobicContact CZ3-CD1 4.48Å
287I62.1Low58.5Low58 Ų58109 Ų10930%0.29757%0.569SS.*G310 helixtrans-77-25.1177.6-61172.2000111.7L283 P284 P285 D289 L322L283-I287 HydrophobicContact CB-CD1 4.46Å; L283-I287 HydrophobicContact CD2-CD1 4.3Å; P284-I287 HydrophobicContact CB-CD1 4.36Å; P284-I287 HydrophobicContact CG-CD1 4.3Å; P284-I287 PolarHBondContact O-N 3.36Å; P284-I287 VanDerWaalsContact O-N 3.16Å; P285-I287 PolarHBondContact O-N 3.33Å; I287-D289 PolarHBondContact O-N 2.92Å; I287-L322 HydrophobicContact CD1-CD1 4.18Å; I287-L322 HydrophobicContact CD1-CD2 3.68Å; I287-L322 HydrophobicContact CD1-CG 4.47Å
288A57.6Low59.7Low86 Ų86104.6 Ų104.671%0.71156%0.557SS**G310 helixtrans-820.9-178.100000113.9P285P285-A288 PolarHBondContact O-N 2.99Å
289D55.7Low60.8Low78 Ų78107 Ų10742%0.41756%0.558SS.*  trans-109.240.1-162.8-118.119.2000112.7I287 K291 K292I287-D289 PolarHBondContact O-N 2.92Å; D289-K291 PolarHBondContact O-N 3.07Å; D289-K292 PolarHBondContact O-N 3.04Å; D289-K292 WeakPolarHBondContact OD2-CE 3.39Å; D289-K292 IonicContact OD2-NZ 2.61Å; D289-K292 PolarHBondContact OD2-NZ 3.16Å
290D54.4Low61.7Low134 Ų134105.5 Ų105.572%0.71755%0.551SS**G310 helixtrans-45.8-31.7-177.6-78-38.8000114.4K292 L293D290-K292 PolarHBondContact O-N 3.35Å; D290-L293 PolarHBondContact O-N 2.93Å
291K56Low62.7Low214 Ų214108.1 Ų108.193%0.9356%0.563SS**G310 helixtrans-704.8-174.6-63.9-170.6176.7-174.10115.5D289D289-K291 PolarHBondContact O-N 3.07Å
292K55.9Low63.7Low121 Ų121112.7 Ų112.753%0.52658%0.577SS.*G310 helixtrans-101.7-24.1177.7-75.6173.3179.6160.50115.1D289 D290 E294 N295D289-K292 PolarHBondContact O-N 3.04Å; D289-K292 WeakPolarHBondContact OD2-CE 3.39Å; D289-K292 IonicContact OD2-NZ 2.61Å; D289-K292 PolarHBondContact OD2-NZ 3.16Å; D290-K292 PolarHBondContact O-N 3.35Å; K292-E294 PolarHBondContact O-N 3.17Å; K292-N295 PolarHBondContact O-N 3.04Å
293L55.4Low64.8Low121 Ų121108.9 Ų108.963%0.63455%0.554SS**Hα-helixtrans-56.8-42.7-167.7-107.382.7000114.5D290 N295 D296 L297D290-L293 PolarHBondContact O-N 2.93Å; L293-N295 VanDerWaalsContact C-N 3.31Å; L293-N295 PolarHBondContact O-N 3.47Å; L293-D296 PolarHBondContact O-N 3.21Å; L293-L297 PolarHBondContact O-N 3.07Å
294E56Low66.1Low181 Ų181108.8 Ų108.885%0.84655%0.554SS**Hα-helixtrans-67.4-31.6-170.1-162164.3-145.600112.9K292K292-E294 PolarHBondContact O-N 3.17Å
295N59.6Low67Low124 Ų124111.8 Ų111.866%0.66357%0.573SS**Hα-helixtrans-79.2-27.4177.2-123.1-41.6000112.6K292 L293 R299K292-N295 PolarHBondContact O-N 3.04Å; L293-N295 VanDerWaalsContact C-N 3.31Å; L293-N295 PolarHBondContact O-N 3.47Å; N295-R299 WeakPolarHBondContact O-CG 3.32Å
296D65.2Low67.9Low71 Ų71108.9 Ų108.938%0.3856%0.559SS.*Hα-helixtrans-81.1-29.3-177.6-75.7-26.3000112.2L293 E298 R299 L300L293-D296 PolarHBondContact O-N 3.21Å; D296-E298 PolarHBondContact O-N 2.91Å; D296-R299 PolarHBondContact O-N 3.32Å; D296-R299 VanDerWaalsContact O-N 3.13Å; D296-L300 WeakPolarHBondContact O-CB 3.44Å; D296-L300 VanDerWaalsContact O-CG 3.25Å; D296-L300 WeakPolarHBondContact O-CG 3.48Å; D296-L300 PolarHBondContact O-N 3.34Å
297L63.9Low68.9Low120 Ų120107.1 Ų107.163%0.62856%0.561SS**Hα-helixtrans-55.7-45.7174.7-90.8159.1000113.1L293 R299 L300 S301L293-L297 PolarHBondContact O-N 3.07Å; L297-R299 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 3.03Å; L297-L300 PolarHBondContact O-N 3.28Å; L297-S301 PolarHBondContact O-N 2.9Å; L297-S301 VanDerWaalsContact O-N 3.16Å
298E71.2Confident69.8Low118 Ų118107.3 Ų107.355%0.55156%0.562SS**Hα-helixtrans-72.9-22.5179.2-148.9-155.5146.700112.9D296 S301 K302D296-E298 PolarHBondContact O-N 2.91Å; E298-S301 PolarHBondContact O-OG 3.43Å; E298-K302 IonicContact OE1-NZ 3.11Å; E298-K302 PolarHBondContact OE1-NZ 3.05Å
299R75Confident71.1Confident171 Ų171110.7 Ų110.765%0.64556%0.556SS**Hα-helixtrans-79.3-40.8173.4-63.9176.7103.6-176.16.8111.2N295 D296 L297 S301 K302 T303N295-R299 WeakPolarHBondContact O-CG 3.32Å; D296-R299 PolarHBondContact O-N 3.32Å; D296-R299 VanDerWaalsContact O-N 3.13Å; L297-R299 VanDerWaalsContact C-N 3.3Å; L297-R299 PolarHBondContact O-N 3.03Å; R299-S301 VanDerWaalsContact C-N 3.32Å; R299-S301 PolarHBondContact O-N 3.31Å; R299-K302 PolarHBondContact O-N 3.2Å; R299-K302 VanDerWaalsContact O-N 3.14Å; R299-T303 PolarHBondContact O-N 3.35Å; R299-T303 PolarHBondContact O-OG1 3.39Å
300L71Confident72.6Confident74 Ų74109.8 Ų109.839%0.38756%0.56SS.*Hα-helixtrans-61.7-38.8176.7-72.6166.8000111.5D296 L297 K302 T303 L308D296-L300 WeakPolarHBondContact O-CB 3.44Å; D296-L300 VanDerWaalsContact O-CG 3.25Å; D296-L300 WeakPolarHBondContact O-CG 3.48Å; D296-L300 PolarHBondContact O-N 3.34Å; L297-L300 PolarHBondContact O-N 3.28Å; L300-K302 PolarHBondContact O-N 3.04Å; L300-K302 VanDerWaalsContact O-N 3.16Å; L300-T303 WeakPolarHBondContact O-CB 3.35Å; L300-T303 PolarHBondContact O-N 3.35Å; L300-T303 VanDerWaalsContact O-N 3.11Å; L300-L308 HydrophobicContact CB-CD2 4.28Å; L300-L308 HydrophobicContact CD2-CD2 3.66Å
301S77.2Confident74Confident92 Ų92107.2 Ų107.264%0.64354%0.542SS*.THydrogen-bonded Turntrans-63.5-19.8176.572.50000114.4L297 E298 R299L297-S301 PolarHBondContact O-N 2.9Å; L297-S301 VanDerWaalsContact O-N 3.16Å; E298-S301 PolarHBondContact O-OG 3.43Å; R299-S301 VanDerWaalsContact C-N 3.32Å; R299-S301 PolarHBondContact O-N 3.31Å
302K83.5Confident75.4Confident150 Ų150100.5 Ų100.565%0.65252%0.519SS*.THydrogen-bonded Turntrans-104.91.4178.6-60.8169.5-167.4167.60112.9E298 R299 L300E298-K302 IonicContact OE1-NZ 3.11Å; E298-K302 PolarHBondContact OE1-NZ 3.05Å; R299-K302 PolarHBondContact O-N 3.2Å; R299-K302 VanDerWaalsContact O-N 3.14Å; L300-K302 PolarHBondContact O-N 3.04Å; L300-K302 VanDerWaalsContact O-N 3.16Å
303T84.5Confident77Confident45 Ų45101 Ų10128%0.27653%0.525SS..SBendtrans-85.6146.1-177.9-61.60000111.1R299 L300 T307 L308R299-T303 PolarHBondContact O-N 3.35Å; R299-T303 PolarHBondContact O-OG1 3.39Å; L300-T303 WeakPolarHBondContact O-CB 3.35Å; L300-T303 PolarHBondContact O-N 3.35Å; L300-T303 VanDerWaalsContact O-N 3.11Å; T303-T307 HydrophobicContact CG2-CG2 3.53Å; T303-L308 HydrophobicContact CG2-CD2 4.24Å; T303-L308 HydrophobicContact CG2-CG 4.03Å
304D86.8Confident78.5Confident77 Ų7799.3 Ų99.341%0.41251%0.514SS..  trans-69.6155.1-179.877.5-88.2000113A306 T307 L308D304-A306 VanDerWaalsContact C-N 3.27Å; D304-A306 PolarHBondContact O-N 2.99Å; D304-A306 VanDerWaalsContact O-N 3.17Å; D304-A306 WeakPolarHBondContact OD2-CA 3.36Å; D304-A306 VanDerWaalsContact OD2-CB 3.29Å; D304-A306 WeakPolarHBondContact OD2-CB 3.32Å; D304-A306 PolarHBondContact OD2-N 3.31Å; D304-T307 PolarHBondContact O-N 3.17Å; D304-T307 VanDerWaalsContact OD1-CB 3.23Å; D304-T307 WeakPolarHBondContact OD1-CB 3.49Å; D304-T307 PolarHBondContact OD1-OG1 3.07Å; D304-T307 PolarHBondContact OD2-N 2.83Å; D304-L308 PolarHBondContact O-N 3.16Å
305P85.1Confident79.9Confident84 Ų8494.6 Ų94.655%0.54549%0.494SS..Hα-helixtrans-63.4-21.7-176.7-25.435.5000115.9R309P305-R309 WeakPolarHBondContact O-CG 3.44Å; P305-R309 PolarHBondContact O-N 3.04Å; P305-R309 PolarHBondContact O-NE 3.3Å; P305-R309 PolarHBondContact O-NH1 3.33Å
306A85.2Confident81.3Confident54 Ų5494.2 Ų94.245%0.44649%0.488SS..Hα-helixtrans-78.9-43.7178.100000110.9D304 L308 R309 A310D304-A306 VanDerWaalsContact C-N 3.27Å; D304-A306 PolarHBondContact O-N 2.99Å; D304-A306 VanDerWaalsContact O-N 3.17Å; D304-A306 WeakPolarHBondContact OD2-CA 3.36Å; D304-A306 VanDerWaalsContact OD2-CB 3.29Å; D304-A306 WeakPolarHBondContact OD2-CB 3.32Å; D304-A306 PolarHBondContact OD2-N 3.31Å; A306-L308 VanDerWaalsContact C-N 3.34Å; A306-R309 PolarHBondContact O-N 2.82Å; A306-A310 PolarHBondContact O-N 3.42Å
307T85.7Confident82.5Confident76 Ų7694.5 Ų94.547%0.46650%0.496SS..Hα-helixtrans-62.7-40.2173.1-58.20000111.5T303 D304 A310 K311T303-T307 HydrophobicContact CG2-CG2 3.53Å; D304-T307 PolarHBondContact O-N 3.17Å; D304-T307 VanDerWaalsContact OD1-CB 3.23Å; D304-T307 WeakPolarHBondContact OD1-CB 3.49Å; D304-T307 PolarHBondContact OD1-OG1 3.07Å; D304-T307 PolarHBondContact OD2-N 2.83Å; T307-A310 PolarHBondContact O-N 3.16Å; T307-K311 PolarHBondContact O-N 3.37Å
308L82.1Confident83.6Confident62 Ų6290.5 Ų90.533%0.32547%0.474SS..Hα-helixtrans-60.7-44.5173.5-73.2173.5000112.5L300 T303 D304 A306 A310 K311 V312L300-L308 HydrophobicContact CB-CD2 4.28Å; L300-L308 HydrophobicContact CD2-CD2 3.66Å; T303-L308 HydrophobicContact CG2-CD2 4.24Å; T303-L308 HydrophobicContact CG2-CG 4.03Å; D304-L308 PolarHBondContact O-N 3.16Å; A306-L308 VanDerWaalsContact C-N 3.34Å; L308-A310 PolarHBondContact O-N 3.39Å; L308-K311 PolarHBondContact O-N 3.15Å; L308-V312 WeakPolarHBondContact O-CG2 3.4Å; L308-V312 PolarHBondContact O-N 3.16Å
309R84.4Confident84.3Confident157 Ų15788.6 Ų88.659%0.59247%0.47SS*.Hα-helixtrans-60.9-42.4175.3-78.9-176.3-65.4-92.31.7112.5P305 A306 K311 V312 M313P305-R309 WeakPolarHBondContact O-CG 3.44Å; P305-R309 PolarHBondContact O-N 3.04Å; P305-R309 PolarHBondContact O-NE 3.3Å; P305-R309 PolarHBondContact O-NH1 3.33Å; A306-R309 PolarHBondContact O-N 2.82Å; R309-K311 VanDerWaalsContact C-N 3.31Å; R309-K311 PolarHBondContact O-N 3.24Å; R309-V312 PolarHBondContact O-N 3.42Å; R309-M313 WeakPolarHBondContact O-CG 3.43Å; R309-M313 PolarHBondContact O-N 3.07Å
310A86.5Confident85Confident59 Ų5985.1 Ų85.149%0.48847%0.465SS..Hα-helixtrans-61.6-40.2175.700000111.9A306 T307 L308 M313 E314A306-A310 PolarHBondContact O-N 3.42Å; T307-A310 PolarHBondContact O-N 3.16Å; L308-A310 PolarHBondContact O-N 3.39Å; A310-M313 PolarHBondContact O-N 3.1Å; A310-E314 PolarHBondContact O-N 3.44Å
311K84.4Confident85.8Confident80 Ų8086.2 Ų86.235%0.34847%0.467SS..Hα-helixtrans-68.4-37176.8-164.471.9-158168.60112.7T307 L308 R309 E314 L315T307-K311 PolarHBondContact O-N 3.37Å; L308-K311 PolarHBondContact O-N 3.15Å; R309-K311 VanDerWaalsContact C-N 3.31Å; R309-K311 PolarHBondContact O-N 3.24Å; K311-E314 WeakPolarHBondContact CD-OE2 3.32Å; K311-E314 WeakPolarHBondContact CE-OE2 3.41Å; K311-E314 IonicContact NZ-OE1 2.69Å; K311-E314 PolarHBondContact NZ-OE1 3.42Å; K311-E314 IonicContact NZ-OE2 3.78Å; K311-E314 PolarHBondContact NZ-OE2 3.2Å; K311-E314 PolarHBondContact O-N 2.93Å; K311-L315 HydrophobicContact CG-CD1 4.35Å; K311-L315 VanDerWaalsContact O-CG 3.31Å; K311-L315 WeakPolarHBondContact O-CG 3.48Å; K311-L315 PolarHBondContact O-N 3.18Å
312V85.7Confident86.1Confident73 Ų7384 Ų8444%0.44245%0.448SS..Hα-helixtrans-61.2-47172.5170.80000110.7L308 R309 E314 L315 E316L308-V312 WeakPolarHBondContact O-CG2 3.4Å; L308-V312 PolarHBondContact O-N 3.16Å; R309-V312 PolarHBondContact O-N 3.42Å; V312-E314 VanDerWaalsContact C-N 3.31Å; V312-E314 PolarHBondContact O-N 2.95Å; V312-L315 PolarHBondContact O-N 3.4Å; V312-L315 VanDerWaalsContact O-N 3.16Å; V312-E316 HydrophobicContact CG1-CG 4.25Å; V312-E316 WeakPolarHBondContact O-CG 3.35Å; V312-E316 PolarHBondContact O-N 3.39Å
313M88.3Confident86.3Confident133 Ų13380.7 Ų80.766%0.65544%0.438SS*.Hα-helixtrans-61.7-36.4176.8-68.1-179.87100113.1R309 A310 S317R309-M313 WeakPolarHBondContact O-CG 3.43Å; R309-M313 PolarHBondContact O-N 3.07Å; A310-M313 PolarHBondContact O-N 3.1Å; M313-S317 PolarHBondContact O-N 2.91Å; M313-S317 VanDerWaalsContact O-N 3.07Å
314E86.9Confident86.5Confident85 Ų8585.2 Ų85.240%0.39746%0.456SS..Hα-helixtrans-64.4-44.8173.7-167.7-162.2141.600111.5A310 K311 V312 S317 Q318A310-E314 PolarHBondContact O-N 3.44Å; K311-E314 WeakPolarHBondContact CD-OE2 3.32Å; K311-E314 WeakPolarHBondContact CE-OE2 3.41Å; K311-E314 IonicContact NZ-OE1 2.69Å; K311-E314 PolarHBondContact NZ-OE1 3.42Å; K311-E314 IonicContact NZ-OE2 3.78Å; K311-E314 PolarHBondContact NZ-OE2 3.2Å; K311-E314 PolarHBondContact O-N 2.93Å; V312-E314 VanDerWaalsContact C-N 3.31Å; V312-E314 PolarHBondContact O-N 2.95Å; E314-S317 WeakPolarHBondContact O-CB 3.48Å; E314-S317 PolarHBondContact O-N 3.09Å; E314-Q318 WeakPolarHBondContact O-CG 3.37Å; E314-Q318 PolarHBondContact O-N 3.19Å; E314-Q318 PolarHBondContact OE1-NE2 3Å
315L85.3Confident86.4Confident82 Ų8283.4 Ų83.443%0.42945%0.446SS..Hα-helixtrans-66.9-40.4177.6-71168.6000112K311 V312 S317 Q318 V319K311-L315 HydrophobicContact CG-CD1 4.35Å; K311-L315 VanDerWaalsContact O-CG 3.31Å; K311-L315 WeakPolarHBondContact O-CG 3.48Å; K311-L315 PolarHBondContact O-N 3.18Å; V312-L315 PolarHBondContact O-N 3.4Å; V312-L315 VanDerWaalsContact O-N 3.16Å; L315-S317 VanDerWaalsContact C-N 3.29Å; L315-S317 PolarHBondContact O-N 2.9Å; L315-Q318 PolarHBondContact O-N 3.39Å; L315-V319 WeakPolarHBondContact O-CB 3.4Å; L315-V319 WeakPolarHBondContact O-CG2 3.39Å; L315-V319 PolarHBondContact O-N 2.87Å
316E88.8Confident86.3Confident115 Ų11584 Ų8454%0.53744%0.444SS..Hα-helixtrans-60-39.8173.1-73.9173.1162.800111.5V312 N320V312-E316 HydrophobicContact CG1-CG 4.25Å; V312-E316 WeakPolarHBondContact O-CG 3.35Å; V312-E316 PolarHBondContact O-N 3.39Å; E316-N320 WeakPolarHBondContact O-CB 3.39Å; E316-N320 PolarHBondContact O-N 3.05Å
317S90.3Very high86.2Confident78 Ų7885.1 Ų85.155%0.54545%0.445SS..Hα-helixtrans-64.7-42.1173.3-169.80000112.3M313 E314 L315 N320 E321M313-S317 PolarHBondContact O-N 2.91Å; M313-S317 VanDerWaalsContact O-N 3.07Å; E314-S317 WeakPolarHBondContact O-CB 3.48Å; E314-S317 PolarHBondContact O-N 3.09Å; L315-S317 VanDerWaalsContact C-N 3.29Å; L315-S317 PolarHBondContact O-N 2.9Å; S317-N320 PolarHBondContact O-N 3.1Å; S317-E321 PolarHBondContact O-N 2.88Å
318Q88.2Confident86.2Confident35 Ų3587.1 Ų87.116%0.16445%0.445CS..Hα-helixtrans-67.8-38.1177.9-74168.88.200112.3W286 E314 L315 E321 L322W286-Q318 HydrophobicContact CH2-CB 3.99Å; W286-Q318 HydrophobicContact CZ2-CB 3.8Å; W286-Q318 HydrophobicContact CZ2-CG 3.99Å; E314-Q318 WeakPolarHBondContact O-CG 3.37Å; E314-Q318 PolarHBondContact O-N 3.19Å; E314-Q318 PolarHBondContact OE1-NE2 3Å; L315-Q318 PolarHBondContact O-N 3.39Å; Q318-E321 PolarHBondContact O-N 3.14Å; Q318-L322 PolarHBondContact O-N 2.9Å
319V84.6Confident86.3Confident79 Ų7986.4 Ų86.448%0.47944%0.438SS..Hα-helixtrans-65.1-39.7173.6169.10000110.9L315 L322 N323L315-V319 WeakPolarHBondContact O-CB 3.4Å; L315-V319 WeakPolarHBondContact O-CG2 3.39Å; L315-V319 PolarHBondContact O-N 2.87Å; V319-L322 PolarHBondContact O-N 3.46Å; V319-N323 PolarHBondContact O-N 3.35Å; V319-N323 PolarHBondContact O-ND2 3.43Å
320N90.2Very high86.2Confident98 Ų9884.2 Ų84.252%0.52444%0.435SS..Hα-helixtrans-64.7-39.8173.5-85.8-28.8000112.9E316 S317 N323 Q324E316-N320 WeakPolarHBondContact O-CB 3.39Å; E316-N320 PolarHBondContact O-N 3.05Å; S317-N320 PolarHBondContact O-N 3.1Å; N320-N323 PolarHBondContact O-N 2.78Å; N320-Q324 WeakPolarHBondContact O-CG 3.5Å; N320-Q324 PolarHBondContact O-N 3.36Å; N320-Q324 VanDerWaalsContact O-N 3.13Å
321E87.8Confident86.2Confident96 Ų9685.5 Ų85.545%0.44943%0.433SS..Hα-helixtrans-61.7-44.2172.7-172.6-179.6-178.700111.1S317 Q318 N323 Q324 L325S317-E321 PolarHBondContact O-N 2.88Å; Q318-E321 PolarHBondContact O-N 3.14Å; E321-N323 PolarHBondContact O-N 3.06Å; E321-Q324 PolarHBondContact O-N 2.99Å; E321-L325 WeakPolarHBondContact O-CG 3.39Å; E321-L325 PolarHBondContact O-N 3.37Å
322L84.7Confident86.3Confident45 Ų4582.8 Ų82.824%0.23642%0.423CS..Hα-helixtrans-63.7-39.7176.8-78.7176.1000113.6W286 I287 Q318 V319 Q324 L325 L326W286-L322 HydrophobicContact CH2-CD1 3.63Å; W286-L322 HydrophobicContact CH2-CG 4.36Å; W286-L322 HydrophobicContact CZ2-CD1 4.3Å; W286-L322 HydrophobicContact CZ3-CD1 4.48Å; I287-L322 HydrophobicContact CD1-CD1 4.18Å; I287-L322 HydrophobicContact CD1-CD2 3.68Å; I287-L322 HydrophobicContact CD1-CG 4.47Å; Q318-L322 PolarHBondContact O-N 2.9Å; V319-L322 PolarHBondContact O-N 3.46Å; L322-Q324 VanDerWaalsContact C-N 3.33Å; L322-Q324 PolarHBondContact O-N 3.01Å; L322-L325 HydrophobicContact CD2-CD1 4.43Å; L322-L325 PolarHBondContact O-N 3.01Å; L322-L326 WeakPolarHBondContact O-CG 3.36Å; L322-L326 PolarHBondContact O-N 3.35Å
323N86.8Confident86.1Confident82 Ų8284.3 Ų84.344%0.43943%0.428SS..Hα-helixtrans-61.2-42174-76.9-25.5000111.4V319 N320 E321 L325 L326 T327V319-N323 PolarHBondContact O-N 3.35Å; V319-N323 PolarHBondContact O-ND2 3.43Å; N320-N323 PolarHBondContact O-N 2.78Å; E321-N323 PolarHBondContact O-N 3.06Å; N323-L325 VanDerWaalsContact C-N 3.34Å; N323-L325 PolarHBondContact O-N 3.32Å; N323-L326 PolarHBondContact O-N 2.91Å; N323-T327 PolarHBondContact O-N 3Å; N323-T327 PolarHBondContact O-OG1 3.03Å
324Q88.8Confident86Confident140 Ų14083.3 Ų83.365%0.65443%0.425SS*.Hα-helixtrans-62.9-39.8174.6-67.9172.328.800112.3N320 E321 L322 Y328N320-Q324 WeakPolarHBondContact O-CG 3.5Å; N320-Q324 PolarHBondContact O-N 3.36Å; N320-Q324 VanDerWaalsContact O-N 3.13Å; E321-Q324 PolarHBondContact O-N 2.99Å; L322-Q324 VanDerWaalsContact C-N 3.33Å; L322-Q324 PolarHBondContact O-N 3.01Å; Q324-Y328 WeakPolarHBondContact O-CB 3.31Å; Q324-Y328 PolarHBondContact O-N 3.31Å
325L85Confident86.1Confident39 Ų3985.6 Ų85.620%0.20443%0.43CS..Hα-helixtrans-67.5-34.7175.8-68.6-178.3000113P281 E321 L322 N323 R329P281-L325 HydrophobicContact CG-CD2 3.63Å; E321-L325 WeakPolarHBondContact O-CG 3.39Å; E321-L325 PolarHBondContact O-N 3.37Å; L322-L325 HydrophobicContact CD2-CD1 4.43Å; L322-L325 PolarHBondContact O-N 3.01Å; N323-L325 VanDerWaalsContact C-N 3.34Å; N323-L325 PolarHBondContact O-N 3.32Å; L325-R329 WeakPolarHBondContact O-CG 3.4Å; L325-R329 PolarHBondContact O-N 2.95Å; L325-R329 VanDerWaalsContact O-N 3.09Å
326L81.6Confident86.1Confident96 Ų9684.6 Ų84.650%0.50342%0.424SS..Hα-helixtrans-65.6-52.6173.6-76.7167.5000110.9L322 N323 Y328 R329 E330L322-L326 WeakPolarHBondContact O-CG 3.36Å; L322-L326 PolarHBondContact O-N 3.35Å; N323-L326 PolarHBondContact O-N 2.91Å; L326-Y328 VanDerWaalsContact C-N 3.29Å; L326-Y328 PolarHBondContact O-N 3.46Å; L326-R329 WeakPolarHBondContact O-CA 3.43Å; L326-R329 WeakPolarHBondContact O-CB 3.48Å; L326-R329 PolarHBondContact O-N 2.75Å; L326-E330 WeakPolarHBondContact O-CG 3.44Å; L326-E330 PolarHBondContact O-N 2.79Å
327T84Confident85.9Confident77 Ų7785 Ų8547%0.47243%0.426SS..Hα-helixtrans-57.1-41.5176.8-54.70000112N323 R329 E330 D331N323-T327 PolarHBondContact O-N 3Å; N323-T327 PolarHBondContact O-OG1 3.03Å; T327-R329 VanDerWaalsContact C-N 3.34Å; T327-R329 PolarHBondContact O-N 3.27Å; T327-E330 PolarHBondContact O-N 2.91Å; T327-D331 PolarHBondContact O-N 2.83Å
328Y86Confident85.9Confident119 Ų11986.2 Ų86.247%0.46742%0.423SS..Hα-helixtrans-61.4-40174.5177.4-93.2000112.7Q324 L326 V332Q324-Y328 WeakPolarHBondContact O-CB 3.31Å; Q324-Y328 PolarHBondContact O-N 3.31Å; L326-Y328 VanDerWaalsContact C-N 3.29Å; L326-Y328 PolarHBondContact O-N 3.46Å; Y328-V332 HydrophobicContact CD1-CG2 4.27Å; Y328-V332 HydrophobicContact CE1-CG2 3.77Å; Y328-V332 HydrophobicContact CE2-CG2 4.36Å; Y328-V332 WeakPolarHBondContact O-CG2 3.42Å; Y328-V332 PolarHBondContact O-N 3.49Å
329R83.9Confident85.9Confident47 Ų4789.7 Ų89.718%0.17744%0.439CS..Hα-helixtrans-68.4-40.4176.9-76.8179.2177.3-160.5-0.2111.8P281 L325 L326 T327 V332 I333P281-R329 PolarHBondContact O-NH2 3.47Å; L325-R329 WeakPolarHBondContact O-CG 3.4Å; L325-R329 PolarHBondContact O-N 2.95Å; L325-R329 VanDerWaalsContact O-N 3.09Å; L326-R329 WeakPolarHBondContact O-CA 3.43Å; L326-R329 WeakPolarHBondContact O-CB 3.48Å; L326-R329 PolarHBondContact O-N 2.75Å; T327-R329 VanDerWaalsContact C-N 3.34Å; T327-R329 PolarHBondContact O-N 3.27Å; R329-V332 PolarHBondContact O-N 2.99Å; R329-I333 WeakPolarHBondContact O-CB 3.44Å; R329-I333 VanDerWaalsContact O-CG1 3.26Å; R329-I333 WeakPolarHBondContact O-CG1 3.39Å; R329-I333 PolarHBondContact O-N 3.48Å
330E81.9Confident85.9Confident111 Ų11190.7 Ų90.752%0.51944%0.441SS..Hα-helixtrans-58.1-48.9173.8-69171.4155.300110.9L326 T327 V332 I333 L334L326-E330 WeakPolarHBondContact O-CG 3.44Å; L326-E330 PolarHBondContact O-N 2.79Å; T327-E330 PolarHBondContact O-N 2.91Å; E330-V332 VanDerWaalsContact C-N 3.3Å; E330-V332 PolarHBondContact O-N 3.14Å; E330-I333 PolarHBondContact O-N 3.36Å; E330-I333 VanDerWaalsContact O-N 3.16Å; E330-L334 WeakPolarHBondContact O-CG 3.45Å; E330-L334 PolarHBondContact O-N 3.46Å
331D87.6Confident85.8Confident85 Ų8588.7 Ų88.746%0.45543%0.434SS..Hα-helixtrans-60.1-34.1175.1-92.9-3.6000113.7T327 R335T327-D331 PolarHBondContact O-N 2.83Å; D331-R335 WeakPolarHBondContact O-CG 3.35Å; D331-R335 PolarHBondContact O-N 3.38Å; D331-R335 PolarHBondContact O-NE 3.32Å
332V86.4Confident85.7Confident23 Ų2389.3 Ų89.314%0.13944%0.436CS..Hα-helixtrans-73.6-41.3175.3170.90000110.9I279 Y328 R329 E330 R335 I336I279-V332 HydrophobicContact CG2-CG1 3.57Å; Y328-V332 HydrophobicContact CD1-CG2 4.27Å; Y328-V332 HydrophobicContact CE1-CG2 3.77Å; Y328-V332 HydrophobicContact CE2-CG2 4.36Å; Y328-V332 WeakPolarHBondContact O-CG2 3.42Å; Y328-V332 PolarHBondContact O-N 3.49Å; R329-V332 PolarHBondContact O-N 2.99Å; E330-V332 VanDerWaalsContact C-N 3.3Å; E330-V332 PolarHBondContact O-N 3.14Å; V332-R335 PolarHBondContact O-N 3.46Å; V332-I336 HydrophobicContact CG1-CD1 3.81Å; V332-I336 HydrophobicContact CG1-CG1 4.49Å; V332-I336 VanDerWaalsContact O-CG1 3.3Å; V332-I336 WeakPolarHBondContact O-CG1 3.44Å; V332-I336 PolarHBondContact O-N 3.03Å
333I80.5Confident86Confident105 Ų10593.3 Ų93.354%0.53845%0.451SS..Hα-helixtrans-62.6-44.1176.1-70.2164000110.7R329 E330 R335 I336 H337R329-I333 WeakPolarHBondContact O-CB 3.44Å; R329-I333 VanDerWaalsContact O-CG1 3.26Å; R329-I333 WeakPolarHBondContact O-CG1 3.39Å; R329-I333 PolarHBondContact O-N 3.48Å; E330-I333 PolarHBondContact O-N 3.36Å; E330-I333 VanDerWaalsContact O-N 3.16Å; I333-R335 PolarHBondContact O-N 2.97Å; I333-I336 PolarHBondContact O-N 3Å; I333-H337 WeakPolarHBondContact O-CB 3.4Å; I333-H337 PolarHBondContact O-N 3.43Å
334L86Confident85.9Confident113 Ų11391.5 Ų91.559%0.59245%0.448SS*.Hα-helixtrans-61-43.8177-72172.4000112.1E330 H337 E338E330-L334 WeakPolarHBondContact O-CG 3.45Å; E330-L334 PolarHBondContact O-N 3.46Å; L334-H337 PolarHBondContact O-N 2.98Å; L334-E338 PolarHBondContact O-N 3.37Å
335R89.3Confident85.5Confident132 Ų13288.4 Ų88.450%0.49844%0.441SS..Hα-helixtrans-63.8-41.1174.7-80.1176.5-74.3-161.1-2.8112.9D331 V332 I333 H337 E338 E339D331-R335 WeakPolarHBondContact O-CG 3.35Å; D331-R335 PolarHBondContact O-N 3.38Å; D331-R335 PolarHBondContact O-NE 3.32Å; V332-R335 PolarHBondContact O-N 3.46Å; I333-R335 PolarHBondContact O-N 2.97Å; R335-H337 VanDerWaalsContact C-N 3.34Å; R335-E338 PolarHBondContact O-N 3.46Å; R335-E339 PolarHBondContact O-N 3.43Å
336I85.5Confident85.4Confident62 Ų6294.3 Ų94.332%0.31847%0.465SS..Hα-helixtrans-63.2-42.1175.1-71.1167.7000110.6I279 V332 I333 E339 I340I279-I336 HydrophobicContact CD1-CD1 3.8Å; I279-I336 HydrophobicContact CG2-CD1 4.03Å; V332-I336 HydrophobicContact CG1-CD1 3.81Å; V332-I336 HydrophobicContact CG1-CG1 4.49Å; V332-I336 VanDerWaalsContact O-CG1 3.3Å; V332-I336 WeakPolarHBondContact O-CG1 3.44Å; V332-I336 PolarHBondContact O-N 3.03Å; I333-I336 PolarHBondContact O-N 3Å; I336-E339 PolarHBondContact O-N 2.96Å; I336-I340 HydrophobicContact CG2-CD1 3.74Å; I336-I340 HydrophobicContact CG2-CG1 4.39Å; I336-I340 WeakPolarHBondContact O-CB 3.47Å; I336-I340 VanDerWaalsContact O-CG1 3.28Å; I336-I340 WeakPolarHBondContact O-CG1 3.48Å; I336-I340 PolarHBondContact O-N 3.45Å
337H84.6Confident85.5Confident123 Ų12394.8 Ų94.857%0.56947%0.468SS*.Hα-helixtrans-63-41.7176.5-174.873.4000112.2I333 L334 R335 I340 S341I333-H337 WeakPolarHBondContact O-CB 3.4Å; I333-H337 PolarHBondContact O-N 3.43Å; L334-H337 PolarHBondContact O-N 2.98Å; R335-H337 VanDerWaalsContact C-N 3.34Å; H337-I340 PolarHBondContact O-N 3.12Å; H337-S341 WeakPolarHBondContact O-CB 3.45Å; H337-S341 PolarHBondContact O-N 3.34Å; H337-S341 PolarHBondContact O-OG 3.41Å
338E89.6Confident85.5Confident103 Ų10396.7 Ų96.748%0.48147%0.472SS..Hα-helixtrans-65.4-40.5174.9-155.8-158.6168.400112L334 R335 S341 K342L334-E338 PolarHBondContact O-N 3.37Å; R335-E338 PolarHBondContact O-N 3.46Å; E338-S341 PolarHBondContact O-N 2.9Å; E338-K342 VanDerWaalsContact O-CG 3.31Å; E338-K342 WeakPolarHBondContact O-CG 3.41Å; E338-K342 PolarHBondContact O-N 2.76Å; E338-K342 WeakPolarHBondContact OE1-CE 3.41Å; E338-K342 IonicContact OE1-NZ 2.82Å; E338-K342 PolarHBondContact OE1-NZ 3.36Å; E338-K342 IonicContact OE2-NZ 3.31Å; E338-K342 PolarHBondContact OE2-NZ 2.95Å
339E87.9Confident85.4Confident109 Ų10993.8 Ų93.851%0.50947%0.472SS..Hα-helixtrans-63.8-43.7173.6-88.1-157.5-15800113.2R335 I336 S341 K342 K343R335-E339 PolarHBondContact O-N 3.43Å; I336-E339 PolarHBondContact O-N 2.96Å; E339-S341 VanDerWaalsContact C-N 3.3Å; E339-K342 PolarHBondContact O-N 3.1Å; E339-K343 WeakPolarHBondContact O-CB 3.5Å; E339-K343 WeakPolarHBondContact O-CG 3.44Å; E339-K343 PolarHBondContact O-N 2.97Å; E339-K343 IonicContact OE2-NZ 3.35Å; E339-K343 PolarHBondContact OE2-NZ 3Å
340I85.7Confident85.3Confident100 Ų10093.3 Ų93.351%0.51348%0.478SS..Hα-helixtrans-61-43.8175.6-72.6168.7000109.5I336 H337 K342 K343 A344I336-I340 HydrophobicContact CG2-CD1 3.74Å; I336-I340 HydrophobicContact CG2-CG1 4.39Å; I336-I340 WeakPolarHBondContact O-CB 3.47Å; I336-I340 VanDerWaalsContact O-CG1 3.28Å; I336-I340 WeakPolarHBondContact O-CG1 3.48Å; I336-I340 PolarHBondContact O-N 3.45Å; H337-I340 PolarHBondContact O-N 3.12Å; I340-K342 PolarHBondContact O-N 3.04Å; I340-K343 CarbonylContact O-C 3.5Å; I340-K343 PolarHBondContact O-N 3.49Å; I340-K343 VanDerWaalsContact O-N 3.15Å; I340-A344 WeakPolarHBondContact O-CB 3.49Å; I340-A344 PolarHBondContact O-N 3.24Å
341S87.2Confident85.2Confident56 Ų5691.4 Ų91.439%0.39247%0.471SS..Hα-helixtrans-61.9-43.9177.4-56.60000112H337 E338 E339 K343 A344 S345H337-S341 WeakPolarHBondContact O-CB 3.45Å; H337-S341 PolarHBondContact O-N 3.34Å; H337-S341 PolarHBondContact O-OG 3.41Å; E338-S341 PolarHBondContact O-N 2.9Å; E339-S341 VanDerWaalsContact C-N 3.3Å; S341-K343 VanDerWaalsContact C-N 3.32Å; S341-K343 PolarHBondContact O-N 2.93Å; S341-A344 PolarHBondContact O-N 3.13Å; S341-S345 PolarHBondContact O-N 3.47Å
342K87.4Confident85.2Confident109 Ų10990.1 Ų90.147%0.47447%0.466SS..Hα-helixtrans-63.5-33.7173.9-72.8165.9-175.6165.80112.8E338 E339 I340 K346E338-K342 VanDerWaalsContact O-CG 3.31Å; E338-K342 WeakPolarHBondContact O-CG 3.41Å; E338-K342 PolarHBondContact O-N 2.76Å; E338-K342 WeakPolarHBondContact OE1-CE 3.41Å; E338-K342 IonicContact OE1-NZ 2.82Å; E338-K342 PolarHBondContact OE1-NZ 3.36Å; E338-K342 IonicContact OE2-NZ 3.31Å; E338-K342 PolarHBondContact OE2-NZ 2.95Å; E339-K342 PolarHBondContact O-N 3.1Å; I340-K342 PolarHBondContact O-N 3.04Å; K342-K346 WeakPolarHBondContact O-CG 3.4Å; K342-K346 PolarHBondContact O-N 3.48Å
343K89.4Confident85.1Confident129 Ų12995.6 Ų95.656%0.56149%0.491SS*.Hα-helixtrans-74.8-39.5175.6-75.4165.1178155.10111.7E339 I340 S341 K346 L347E339-K343 WeakPolarHBondContact O-CB 3.5Å; E339-K343 WeakPolarHBondContact O-CG 3.44Å; E339-K343 PolarHBondContact O-N 2.97Å; E339-K343 IonicContact OE2-NZ 3.35Å; E339-K343 PolarHBondContact OE2-NZ 3Å; I340-K343 CarbonylContact O-C 3.5Å; I340-K343 PolarHBondContact O-N 3.49Å; I340-K343 VanDerWaalsContact O-N 3.15Å; S341-K343 VanDerWaalsContact C-N 3.32Å; S341-K343 PolarHBondContact O-N 2.93Å; K343-K346 PolarHBondContact O-N 3.46Å; K343-L347 PolarHBondContact O-N 3.22Å
344A84.4Confident85.2Confident44 Ų4495.4 Ų95.436%0.36448%0.483SS..Hα-helixtrans-61.9-48.7176.300000111.9I340 S341 K346 L347 E348I340-A344 WeakPolarHBondContact O-CB 3.49Å; I340-A344 PolarHBondContact O-N 3.24Å; S341-A344 PolarHBondContact O-N 3.13Å; A344-K346 VanDerWaalsContact C-N 3.28Å; A344-K346 PolarHBondContact O-N 3.48Å; A344-L347 WeakPolarHBondContact O-CA 3.39Å; A344-L347 WeakPolarHBondContact O-CB 3.32Å; A344-L347 PolarHBondContact O-N 3.44Å; A344-E348 PolarHBondContact O-N 2.98Å
345S81.5Confident85.1Confident75 Ų7593.8 Ų93.852%0.52448%0.481SS..Hα-helixtrans-59.9-35.7176.4176.60000113S341 A349S341-S345 PolarHBondContact O-N 3.47Å; S345-A349 PolarHBondContact O-N 3.48Å
346K83.6Confident84.8Confident162 Ų16290.5 Ų90.570%0.70448%0.478SS*.Hα-helixtrans-68.8-33.8172.6-73.7178179.9-175.40113.1K342 K343 A344 A350K342-K346 WeakPolarHBondContact O-CG 3.4Å; K342-K346 PolarHBondContact O-N 3.48Å; K343-K346 PolarHBondContact O-N 3.46Å; A344-K346 VanDerWaalsContact C-N 3.28Å; A344-K346 PolarHBondContact O-N 3.48Å; K346-A350 PolarHBondContact O-N 3.29Å; K346-A350 VanDerWaalsContact O-N 3.16Å
347L83Confident84.7Confident107 Ų10792.1 Ų92.156%0.5649%0.487SS*.Hα-helixtrans-68.6-45176.4-176.963.5000110.9K343 A344 A349 A350 D351K343-L347 PolarHBondContact O-N 3.22Å; A344-L347 WeakPolarHBondContact O-CA 3.39Å; A344-L347 WeakPolarHBondContact O-CB 3.32Å; A344-L347 PolarHBondContact O-N 3.44Å; L347-A349 VanDerWaalsContact C-N 3.32Å; L347-A349 PolarHBondContact O-N 3.07Å; L347-A350 WeakPolarHBondContact O-CB 3.43Å; L347-A350 PolarHBondContact O-N 3.34Å; L347-A350 VanDerWaalsContact O-N 3.07Å; L347-D351 PolarHBondContact O-N 3.21Å
348E84.5Confident84.7Confident117 Ų11789.8 Ų89.855%0.54748%0.482SS..Hα-helixtrans-58.6-42.4175.3-69.9173.8162.400112.1A344 A350 D351 V352A344-E348 PolarHBondContact O-N 2.98Å; E348-A350 VanDerWaalsContact C-N 3.34Å; E348-A350 PolarHBondContact O-N 2.9Å; E348-D351 PolarHBondContact O-N 3.27Å; E348-V352 WeakPolarHBondContact O-CG2 3.26Å; E348-V352 PolarHBondContact O-N 2.87Å
349A83.2Confident84.7Confident58 Ų5887.4 Ų87.448%0.47948%0.48SS..Hα-helixtrans-60.5-42173.700000112.3S345 L347 V352 E353S345-A349 PolarHBondContact O-N 3.48Å; L347-A349 VanDerWaalsContact C-N 3.32Å; L347-A349 PolarHBondContact O-N 3.07Å; A349-V352 PolarHBondContact O-N 3.09Å; A349-E353 PolarHBondContact O-N 3.15Å; A349-E353 VanDerWaalsContact O-N 3.11Å
350A81Confident84.7Confident37 Ų3786.9 Ų86.931%0.30648%0.477SS..Hα-helixtrans-68.2-35.4177.100000112.9K346 L347 E348 E353 R354K346-A350 PolarHBondContact O-N 3.29Å; K346-A350 VanDerWaalsContact O-N 3.16Å; L347-A350 WeakPolarHBondContact O-CB 3.43Å; L347-A350 PolarHBondContact O-N 3.34Å; L347-A350 VanDerWaalsContact O-N 3.07Å; E348-A350 VanDerWaalsContact C-N 3.34Å; E348-A350 PolarHBondContact O-N 2.9Å; A350-E353 PolarHBondContact O-N 3.16Å; A350-R354 WeakPolarHBondContact O-CB 3.35Å; A350-R354 PolarHBondContact O-N 3.3Å
351D81.2Confident84.6Confident70 Ų7086.3 Ų86.337%0.37447%0.474SS..Hα-helixtrans-70.1-32.4175.1-82.3-35.2000112.3L347 E348 R354 S355L347-D351 PolarHBondContact O-N 3.21Å; E348-D351 PolarHBondContact O-N 3.27Å; D351-R354 IonicContact OD1-NH1 3.15Å; D351-S355 WeakPolarHBondContact O-CB 3.42Å; D351-S355 PolarHBondContact O-N 3.15Å; D351-S355 PolarHBondContact O-OG 3.28Å
352V86.9Confident84.6Confident58 Ų5886.2 Ų86.235%0.35247%0.473SS..Hα-helixtrans-63.2-47.2169.4165.80000111.4E348 A349 S355 S356E348-V352 WeakPolarHBondContact O-CG2 3.26Å; E348-V352 PolarHBondContact O-N 2.87Å; A349-V352 PolarHBondContact O-N 3.09Å; V352-S355 PolarHBondContact O-N 2.91Å; V352-S356 PolarHBondContact O-N 2.99Å
353E85.3Confident84.6Confident138 Ų13884.5 Ų84.565%0.64547%0.469SS*.Hα-helixtrans-62.3-45.1176-73-172.4162.900111.8A349 A350 S355 S356 L357A349-E353 PolarHBondContact O-N 3.15Å; A349-E353 VanDerWaalsContact O-N 3.11Å; A350-E353 PolarHBondContact O-N 3.16Å; E353-S355 VanDerWaalsContact C-N 3.29Å; E353-S355 PolarHBondContact O-N 3.27Å; E353-S356 WeakPolarHBondContact O-CB 3.5Å; E353-S356 PolarHBondContact O-N 3.3Å; E353-L357 WeakPolarHBondContact O-CG 3.38Å; E353-L357 PolarHBondContact O-N 3.06Å
354R81.9Confident84.5Confident102 Ų10283.5 Ų83.539%0.38547%0.469SS..Hα-helixtrans-58.4-41175.7-178.3-177.7174.3-162.8-1.4112A350 D351 L357 T358A350-R354 WeakPolarHBondContact O-CB 3.35Å; A350-R354 PolarHBondContact O-N 3.3Å; D351-R354 IonicContact OD1-NH1 3.15Å; R354-L357 PolarHBondContact O-N 3.27Å; R354-T358 WeakPolarHBondContact O-CB 3.32Å; R354-T358 PolarHBondContact O-N 2.96Å; R354-T358 PolarHBondContact O-OG1 3.14Å
355S84.6Confident84.7Confident78 Ų7888.2 Ų88.255%0.54548%0.481SS..Hα-helixtrans-64.7-42.7176.6-60.40000111.5D351 V352 E353 T358 A359D351-S355 WeakPolarHBondContact O-CB 3.42Å; D351-S355 PolarHBondContact O-N 3.15Å; D351-S355 PolarHBondContact O-OG 3.28Å; V352-S355 PolarHBondContact O-N 2.91Å; E353-S355 VanDerWaalsContact C-N 3.29Å; E353-S355 PolarHBondContact O-N 3.27Å; S355-T358 PolarHBondContact O-N 3.47Å; S355-A359 PolarHBondContact O-N 3.47Å
356S81.2Confident84.8Confident63 Ų6391.5 Ų91.544%0.44148%0.482SS..Hα-helixtrans-60.6-48.2173.9-179.20000112.2V352 E353 T358 A359 Q360V352-S356 PolarHBondContact O-N 2.99Å; E353-S356 WeakPolarHBondContact O-CB 3.5Å; E353-S356 PolarHBondContact O-N 3.3Å; S356-T358 VanDerWaalsContact C-N 3.33Å; S356-T358 PolarHBondContact O-N 3.38Å; S356-A359 WeakPolarHBondContact O-CB 3.33Å; S356-A359 PolarHBondContact O-N 2.88Å; S356-Q360 WeakPolarHBondContact O-CG 3.44Å; S356-Q360 PolarHBondContact O-N 3.15Å; S356-Q360 PolarHBondContact OG-NE2 3.31Å; S356-Q360 VanDerWaalsContact OG-NE2 3.16Å
357L84Confident85Confident97 Ų9789 Ų8951%0.50847%0.473SS..Hα-helixtrans-63-38.2176.9-69.3172.4000112.2E353 R354 A359 Q360 I361E353-L357 WeakPolarHBondContact O-CG 3.38Å; E353-L357 PolarHBondContact O-N 3.06Å; R354-L357 PolarHBondContact O-N 3.27Å; L357-A359 VanDerWaalsContact C-N 3.35Å; L357-A359 PolarHBondContact O-N 2.88Å; L357-Q360 PolarHBondContact O-N 3.42Å; L357-I361 VanDerWaalsContact O-CG1 3.32Å; L357-I361 WeakPolarHBondContact O-CG1 3.4Å; L357-I361 PolarHBondContact O-N 3.32Å
358T85.9Confident84.6Confident74 Ų7488.6 Ų88.645%0.45447%0.471SS..Hα-helixtrans-64.5-39.4176.3-57.10000111.5R354 S355 S356 S362R354-T358 WeakPolarHBondContact O-CB 3.32Å; R354-T358 PolarHBondContact O-N 2.96Å; R354-T358 PolarHBondContact O-OG1 3.14Å; S355-T358 PolarHBondContact O-N 3.47Å; S356-T358 VanDerWaalsContact C-N 3.33Å; S356-T358 PolarHBondContact O-N 3.38Å; T358-S362 WeakPolarHBondContact O-CB 3.32Å; T358-S362 PolarHBondContact O-N 2.85Å; T358-S362 PolarHBondContact O-OG 3.49Å
359A88.4Confident84.2Confident53 Ų5385.4 Ų85.444%0.43847%0.465SS..Hα-helixtrans-64.6-44.4173.100000111.8S355 S356 L357 S362 I363S355-A359 PolarHBondContact O-N 3.47Å; S356-A359 WeakPolarHBondContact O-CB 3.33Å; S356-A359 PolarHBondContact O-N 2.88Å; L357-A359 VanDerWaalsContact C-N 3.35Å; L357-A359 PolarHBondContact O-N 2.88Å; A359-S362 WeakPolarHBondContact O-CB 3.45Å; A359-S362 PolarHBondContact O-N 2.98Å; A359-S362 VanDerWaalsContact O-N 3.16Å; A359-I363 WeakPolarHBondContact O-CG1 3.47Å; A359-I363 PolarHBondContact O-N 2.93Å
360Q89.3Confident84Confident97 Ų9786.3 Ų86.345%0.45347%0.465SS..Hα-helixtrans-60.6-46.4176-68.9171.444.900112.2S356 L357 S362 I363 L364S356-Q360 WeakPolarHBondContact O-CG 3.44Å; S356-Q360 PolarHBondContact O-N 3.15Å; S356-Q360 PolarHBondContact OG-NE2 3.31Å; S356-Q360 VanDerWaalsContact OG-NE2 3.16Å; L357-Q360 PolarHBondContact O-N 3.42Å; Q360-S362 VanDerWaalsContact C-N 3.26Å; Q360-S362 PolarHBondContact O-N 3.14Å; Q360-I363 WeakPolarHBondContact O-CB 3.44Å; Q360-I363 PolarHBondContact O-N 3.28Å; Q360-I363 VanDerWaalsContact O-N 3.16Å; Q360-L364 WeakPolarHBondContact O-CG 3.23Å; Q360-L364 PolarHBondContact O-N 3.05Å
361I83.1Confident83.5Confident88 Ų8887 Ų8745%0.45147%0.47SS..Hα-helixtrans-59.6-38.2174.5-70.3166.4000111.1L357 L364 K365L357-I361 VanDerWaalsContact O-CG1 3.32Å; L357-I361 WeakPolarHBondContact O-CG1 3.4Å; L357-I361 PolarHBondContact O-N 3.32Å; I361-L364 PolarHBondContact O-N 3.46Å; I361-K365 HydrophobicContact CG2-CD 4.14Å; I361-K365 HydrophobicContact CG2-CG 4.43Å; I361-K365 WeakPolarHBondContact O-CB 3.34Å; I361-K365 WeakPolarHBondContact O-CG 3.4Å; I361-K365 PolarHBondContact O-N 3.23Å
362S86.4Confident83.1Confident54 Ų5492 Ų9238%0.37848%0.484SS..Hα-helixtrans-70.1-31.2178.5-58.60000112.8T358 A359 Q360 R366T358-S362 WeakPolarHBondContact O-CB 3.32Å; T358-S362 PolarHBondContact O-N 2.85Å; T358-S362 PolarHBondContact O-OG 3.49Å; A359-S362 WeakPolarHBondContact O-CB 3.45Å; A359-S362 PolarHBondContact O-N 2.98Å; A359-S362 VanDerWaalsContact O-N 3.16Å; Q360-S362 VanDerWaalsContact C-N 3.26Å; Q360-S362 PolarHBondContact O-N 3.14Å; S362-R366 PolarHBondContact O-N 2.93Å
363I87.8Confident82.3Confident73 Ų7394 Ų9437%0.37449%0.489SS..Hα-helixtrans-68-53.5170.6-68.2163.5000109.7A359 Q360 K365 R366 E367A359-I363 WeakPolarHBondContact O-CG1 3.47Å; A359-I363 PolarHBondContact O-N 2.93Å; Q360-I363 WeakPolarHBondContact O-CB 3.44Å; Q360-I363 PolarHBondContact O-N 3.28Å; Q360-I363 VanDerWaalsContact O-N 3.16Å; I363-K365 VanDerWaalsContact C-N 3.31Å; I363-K365 PolarHBondContact O-N 3.38Å; I363-R366 WeakPolarHBondContact O-CA 3.3Å; I363-R366 WeakPolarHBondContact O-CB 3.47Å; I363-R366 PolarHBondContact O-N 3.12Å; I363-E367 HydrophobicContact CG2-CG 4.35Å; I363-E367 WeakPolarHBondContact CG2-OE1 3.28Å; I363-E367 PolarHBondContact O-N 3.33Å
364L88.1Confident81.6Confident108 Ų10891 Ų9157%0.56548%0.477SS*.Hα-helixtrans-58.2-39.6179.5-71169.9000112.7Q360 I361 R366 E367 L368Q360-L364 WeakPolarHBondContact O-CG 3.23Å; Q360-L364 PolarHBondContact O-N 3.05Å; I361-L364 PolarHBondContact O-N 3.46Å; L364-R366 VanDerWaalsContact C-N 3.34Å; L364-R366 PolarHBondContact O-N 3.25Å; L364-E367 PolarHBondContact O-N 3.29Å; L364-L368 VanDerWaalsContact O-CB 3.29Å; L364-L368 WeakPolarHBondContact O-CB 3.34Å; L364-L368 PolarHBondContact O-N 3.49Å
365K86.8Confident80.5Confident144 Ų14490 Ų9063%0.62648%0.48SS*.Hα-helixtrans-62.8-38.5173.9-79.3179.2178.1179.80112.4I361 I363 A369I361-K365 HydrophobicContact CG2-CD 4.14Å; I361-K365 HydrophobicContact CG2-CG 4.43Å; I361-K365 WeakPolarHBondContact O-CB 3.34Å; I361-K365 WeakPolarHBondContact O-CG 3.4Å; I361-K365 PolarHBondContact O-N 3.23Å; I363-K365 VanDerWaalsContact C-N 3.31Å; I363-K365 PolarHBondContact O-N 3.38Å; K365-A369 WeakPolarHBondContact O-CB 3.46Å; K365-A369 PolarHBondContact O-N 3.16Å
366R85.1Confident79.7Confident143 Ų14389.9 Ų89.954%0.5448%0.483SS..Hα-helixtrans-67-48.4174.4-103.8-176.2-74.3106.6-3.9111.3S362 I363 L364 L368 A369 T370S362-R366 PolarHBondContact O-N 2.93Å; I363-R366 WeakPolarHBondContact O-CA 3.3Å; I363-R366 WeakPolarHBondContact O-CB 3.47Å; I363-R366 PolarHBondContact O-N 3.12Å; L364-R366 VanDerWaalsContact C-N 3.34Å; L364-R366 PolarHBondContact O-N 3.25Å; R366-L368 VanDerWaalsContact C-N 3.32Å; R366-L368 PolarHBondContact O-N 3.42Å; R366-A369 WeakPolarHBondContact O-CB 3.42Å; R366-A369 PolarHBondContact O-N 3.21Å; R366-A369 VanDerWaalsContact O-N 3.09Å; R366-T370 PolarHBondContact O-N 3.07Å; R366-T370 PolarHBondContact O-OG1 3.01Å; R366-T370 VanDerWaalsContact O-OG1 3.12Å
367E86.8Confident78.8Confident111 Ų11195.9 Ų95.952%0.51950%0.496SS..Hα-helixtrans-59.8-41.7178.2-69.1171.3171.700111.8I363 L364 T370 A371I363-E367 HydrophobicContact CG2-CG 4.35Å; I363-E367 WeakPolarHBondContact CG2-OE1 3.28Å; I363-E367 PolarHBondContact O-N 3.33Å; L364-E367 PolarHBondContact O-N 3.29Å; E367-T370 PolarHBondContact O-N 3Å; E367-A371 WeakPolarHBondContact O-CB 3.39Å; E367-A371 PolarHBondContact O-N 3.34Å
368L74.9Confident77.9Confident97 Ų97100 Ų10051%0.50851%0.505SS..Hα-helixtrans-63.7-39.7173.6-168.385.9000112.2L364 R366 R372L364-L368 VanDerWaalsContact O-CB 3.29Å; L364-L368 WeakPolarHBondContact O-CB 3.34Å; L364-L368 PolarHBondContact O-N 3.49Å; R366-L368 VanDerWaalsContact C-N 3.32Å; R366-L368 PolarHBondContact O-N 3.42Å; L368-R372 VanDerWaalsContact O-CG 3.31Å; L368-R372 WeakPolarHBondContact O-CG 3.4Å; L368-R372 PolarHBondContact O-N 2.87Å
369A77.3Confident76.6Confident51 Ų5198.8 Ų98.842%0.42151%0.507SS..Hα-helixtrans-65.5-46.9176.100000111.1K365 R366 A371 R372 E373K365-A369 WeakPolarHBondContact O-CB 3.46Å; K365-A369 PolarHBondContact O-N 3.16Å; R366-A369 WeakPolarHBondContact O-CB 3.42Å; R366-A369 PolarHBondContact O-N 3.21Å; R366-A369 VanDerWaalsContact O-N 3.09Å; A369-A371 PolarHBondContact O-N 3.31Å; A369-R372 WeakPolarHBondContact O-CB 3.45Å; A369-R372 PolarHBondContact O-N 2.87Å; A369-E373 WeakPolarHBondContact O-CB 3.47Å; A369-E373 PolarHBondContact O-N 2.87Å
370T77.8Confident74.9Confident77 Ų7798.6 Ų98.647%0.47250%0.5SS..Hα-helixtrans-59.5-44.3174.9-55.10000111.5R366 E367 R372 E373 D374R366-T370 PolarHBondContact O-N 3.07Å; R366-T370 PolarHBondContact O-OG1 3.01Å; R366-T370 VanDerWaalsContact O-OG1 3.12Å; E367-T370 PolarHBondContact O-N 3Å; T370-R372 VanDerWaalsContact C-N 3.31Å; T370-R372 PolarHBondContact O-N 3.27Å; T370-E373 PolarHBondContact O-N 3.48Å; T370-E373 VanDerWaalsContact O-N 3.16Å; T370-D374 WeakPolarHBondContact O-CB 3.3Å; T370-D374 PolarHBondContact O-N 3.02Å
371A71.2Confident73.3Confident51 Ų5195.4 Ų95.442%0.42149%0.493SS..Hα-helixtrans-62.5-35176.800000113.2E367 A369 L375E367-A371 WeakPolarHBondContact O-CB 3.39Å; E367-A371 PolarHBondContact O-N 3.34Å; A369-A371 PolarHBondContact O-N 3.31Å; A371-L375 PolarHBondContact O-N 3.14Å
372R71.5Confident72.1Confident175 Ų17596 Ų9666%0.6650%0.503SS*.Hα-helixtrans-70.3-40.3172.8-74.7171.4172.8-175.9-2.4112.1L368 A369 T370 L375 A376L368-R372 VanDerWaalsContact O-CG 3.31Å; L368-R372 WeakPolarHBondContact O-CG 3.4Å; L368-R372 PolarHBondContact O-N 2.87Å; A369-R372 WeakPolarHBondContact O-CB 3.45Å; A369-R372 PolarHBondContact O-N 2.87Å; T370-R372 VanDerWaalsContact C-N 3.31Å; T370-R372 PolarHBondContact O-N 3.27Å; R372-L375 WeakPolarHBondContact O-CB 3.44Å; R372-L375 PolarHBondContact O-N 2.68Å; R372-A376 PolarHBondContact O-N 2.84Å
373E70.7Confident71.1Confident99 Ų9999.9 Ų99.946%0.46352%0.518SS..Hα-helixtrans-69.4-38.8179.3-157-176.9160.600111.6A369 T370 L375 A376 R377A369-E373 WeakPolarHBondContact O-CB 3.47Å; A369-E373 PolarHBondContact O-N 2.87Å; T370-E373 PolarHBondContact O-N 3.48Å; T370-E373 VanDerWaalsContact O-N 3.16Å; E373-L375 VanDerWaalsContact C-N 3.35Å; E373-A376 PolarHBondContact O-N 3.25Å; E373-R377 WeakPolarHBondContact O-CB 3.46Å; E373-R377 VanDerWaalsContact O-CG 3.31Å; E373-R377 WeakPolarHBondContact O-CG 3.11Å; E373-R377 PolarHBondContact O-N 3.47Å; E373-R377 IonicContact OE1-CZ 2.91Å; E373-R377 IonicContact OE1-NE 3.82Å; E373-R377 PolarHBondContact OE1-NE 3.43Å; E373-R377 IonicContact OE1-NH2 3.15Å; E373-R377 PolarHBondContact OE1-NH2 3.46Å
374D70.9Confident69.9Low75 Ų75101.9 Ų101.940%0.40153%0.526SS..Hα-helixtrans-61.9-39.6170.7-84.9-10.6000112.2T370 R378T370-D374 WeakPolarHBondContact O-CB 3.3Å; T370-D374 PolarHBondContact O-N 3.02Å; D374-R378 WeakPolarHBondContact O-CB 3.48Å; D374-R378 WeakPolarHBondContact O-CD 3.4Å; D374-R378 WeakPolarHBondContact O-CG 3.37Å; D374-R378 PolarHBondContact O-N 2.97Å; D374-R378 VanDerWaalsContact O-N 3.1Å
375L59.5Low68.7Low83 Ų8399.8 Ų99.844%0.43552%0.515SS..Hα-helixtrans-59.9-48.8172.3-118.488.8000110.8A371 R372 E373 R378 L385A371-L375 PolarHBondContact O-N 3.14Å; R372-L375 WeakPolarHBondContact O-CB 3.44Å; R372-L375 PolarHBondContact O-N 2.68Å; E373-L375 VanDerWaalsContact C-N 3.35Å; L375-R378 PolarHBondContact O-N 3.19Å; L375-L385 HydrophobicContact CD2-CD1 3.7Å; L375-L385 HydrophobicContact CG-CD1 4.25Å
376A66.7Low68Low74 Ų7499.2 Ų99.261%0.61251%0.514SS*.Hα-helixtrans-64.6-42.7-179.500000112.4R372 E373 R378 G379R372-A376 PolarHBondContact O-N 2.84Å; E373-A376 PolarHBondContact O-N 3.25Å; A376-R378 VanDerWaalsContact C-N 3.31Å; A376-R378 PolarHBondContact O-N 3.25Å; A376-G379 PolarHBondContact O-N 3.3Å
377R63.3Low67.6Low189 Ų18995 Ų9571%0.71351%0.51SS*.Hα-helixtrans-64.9-31.8177.6-75.4177.6-175.4-135.44.8113.2E373 G379E373-R377 WeakPolarHBondContact O-CB 3.46Å; E373-R377 VanDerWaalsContact O-CG 3.31Å; E373-R377 WeakPolarHBondContact O-CG 3.11Å; E373-R377 PolarHBondContact O-N 3.47Å; E373-R377 IonicContact OE1-CZ 2.91Å; E373-R377 IonicContact OE1-NE 3.82Å; E373-R377 PolarHBondContact OE1-NE 3.43Å; E373-R377 IonicContact OE1-NH2 3.15Å; E373-R377 PolarHBondContact OE1-NH2 3.46Å; R377-G379 PolarHBondContact O-N 2.94Å
378R65.2Low67.1Low184 Ų18493.2 Ų93.269%0.69450%0.502SS*.THydrogen-bonded Turntrans-71.4-4.6173.4-71.1167.3-173.2-116.61.5113.1D374 L375 A376 V380D374-R378 WeakPolarHBondContact O-CB 3.48Å; D374-R378 WeakPolarHBondContact O-CD 3.4Å; D374-R378 WeakPolarHBondContact O-CG 3.37Å; D374-R378 PolarHBondContact O-N 2.97Å; D374-R378 VanDerWaalsContact O-N 3.1Å; L375-R378 PolarHBondContact O-N 3.19Å; A376-R378 VanDerWaalsContact C-N 3.31Å; A376-R378 PolarHBondContact O-N 3.25Å; R378-V380 HydrophobicContact CB-CG2 4.07Å; R378-V380 PolarHBondContact O-N 3.03Å; R378-V380 VanDerWaalsContact O-N 3.11Å
379G58.7Low67.1Low49 Ų4992 Ų9251%0.50550%0.495SS..THydrogen-bonded Turntrans74.6-12.3-17700000114.4A376 R377 G381A376-G379 PolarHBondContact O-N 3.3Å; R377-G379 PolarHBondContact O-N 2.94Å; G379-G381 VanDerWaalsContact C-N 3.29Å; G379-G381 PolarHBondContact O-N 3.22Å
380V52.6Low67.5Low49 Ų4994 Ų9430%0.29750%0.496SS..  trans-7381.7-173.6-168.40000110.3R378 E384 L385R378-V380 HydrophobicContact CB-CG2 4.07Å; R378-V380 PolarHBondContact O-N 3.03Å; R378-V380 VanDerWaalsContact O-N 3.11Å; V380-E384 HydrophobicContact CG1-CB 4Å; V380-L385 HydrophobicContact CG1-CB 3.79Å; V380-L385 HydrophobicContact CG1-CD1 3.97Å; V380-L385 HydrophobicContact CG1-CG 3.78Å
381G54.4Low67.8Low29 Ų2997.8 Ų97.830%0.29950%0.501SS..  trans-59.4160170.200000111.1G379 I383 E384 L385G379-G381 VanDerWaalsContact C-N 3.29Å; G379-G381 PolarHBondContact O-N 3.22Å; G381-I383 PolarHBondContact O-N 2.98Å; G381-E384 PolarHBondContact O-N 2.93Å; G381-L385 PolarHBondContact O-N 3Å
382P58.3Low68.6Low100 Ų10099.8 Ų99.865%0.64951%0.505SS*.Hα-helixtrans-50.5-38.7-179.1-28.935.5000113.5E384 L385 E386P382-E384 PolarHBondContact O-N 3.46Å; P382-L385 PolarHBondContact O-N 3.44Å; P382-E386 WeakPolarHBondContact O-CB 3.42Å; P382-E386 WeakPolarHBondContact O-CG 3.31Å; P382-E386 PolarHBondContact O-N 3.41Å
383I66.1Low69.4Low137 Ų13797.2 Ų97.270%0.70350%0.495SS*.Hα-helixtrans-63.3-38.8177.5-63170.6000112.3G381 A387G381-I383 PolarHBondContact O-N 2.98Å; I383-A387 VanDerWaalsContact O-CB 3.27Å; I383-A387 WeakPolarHBondContact O-CB 3.49Å; I383-A387 PolarHBondContact O-N 3Å
384E61.2Low70.3Confident114 Ų11495 Ų9553%0.53349%0.49SS..Hα-helixtrans-74.8-34.2178.3-62.7-173.8172.100111.5V380 G381 P382 A387 E388V380-E384 HydrophobicContact CG1-CB 4Å; G381-E384 PolarHBondContact O-N 2.93Å; P382-E384 PolarHBondContact O-N 3.46Å; E384-A387 PolarHBondContact O-N 3.13Å; E384-E388 PolarHBondContact O-N 3.16Å
385L62.9Low71.3Confident65 Ų6596.2 Ų96.234%0.3449%0.492SS..Hα-helixtrans-67.9-42.8175.1-135.3155.9000110.8L375 V380 G381 P382 E388 I389L375-L385 HydrophobicContact CD2-CD1 3.7Å; L375-L385 HydrophobicContact CG-CD1 4.25Å; V380-L385 HydrophobicContact CG1-CB 3.79Å; V380-L385 HydrophobicContact CG1-CD1 3.97Å; V380-L385 HydrophobicContact CG1-CG 3.78Å; G381-L385 PolarHBondContact O-N 3Å; P382-L385 PolarHBondContact O-N 3.44Å; L385-E388 PolarHBondContact O-N 2.91Å; L385-I389 HydrophobicContact CD2-CD1 3.76Å; L385-I389 HydrophobicContact CD2-CG1 4.28Å; L385-I389 WeakPolarHBondContact O-CB 3.42Å; L385-I389 WeakPolarHBondContact O-CD1 3.45Å; L385-I389 WeakPolarHBondContact O-CG1 3.35Å; L385-I389 PolarHBondContact O-N 3.34Å
386E72.8Confident72.8Confident131 Ų13199.3 Ų99.361%0.61250%0.498SS*.Hα-helixtrans-61.6-43169.7-74.9176.9160.600111.8P382 I389 E390P382-E386 WeakPolarHBondContact O-CB 3.42Å; P382-E386 WeakPolarHBondContact O-CG 3.31Å; P382-E386 PolarHBondContact O-N 3.41Å; E386-I389 PolarHBondContact O-N 2.96Å; E386-E390 WeakPolarHBondContact O-CB 3.46Å; E386-E390 PolarHBondContact O-N 2.95Å
387A75.8Confident74Confident55 Ų5599.5 Ų99.546%0.45549%0.488SS..Hα-helixtrans-63.4-41.8177.200000112.7I383 E384 E390 R391I383-A387 VanDerWaalsContact O-CB 3.27Å; I383-A387 WeakPolarHBondContact O-CB 3.49Å; I383-A387 PolarHBondContact O-N 3Å; E384-A387 PolarHBondContact O-N 3.13Å; A387-E390 PolarHBondContact O-N 2.72Å; A387-R391 WeakPolarHBondContact O-CB 3.3Å; A387-R391 PolarHBondContact O-N 3.04Å
388E78.1Confident75.4Confident74 Ų7498.3 Ų98.335%0.34648%0.484SS..Hα-helixtrans-75.2-32.8175.5-17158.1-153.200112.1E384 L385 E390 R391 L392 K395E384-E388 PolarHBondContact O-N 3.16Å; L385-E388 PolarHBondContact O-N 2.91Å; E388-E390 VanDerWaalsContact C-N 3.29Å; E388-E390 PolarHBondContact O-N 3.17Å; E388-R391 CarbonylContact O-C 3.57Å; E388-R391 WeakPolarHBondContact O-CB 3.45Å; E388-R391 PolarHBondContact O-N 2.97Å; E388-R391 WeakPolarHBondContact OE2-CD 3.47Å; E388-L392 HydrophobicContact CG-CD1 4.14Å; E388-L392 HydrophobicContact CG-CG 4.24Å; E388-L392 VanDerWaalsContact O-CB 3.3Å; E388-L392 WeakPolarHBondContact O-CB 3.35Å; E388-L392 WeakPolarHBondContact O-CG 3.5Å; E388-L392 PolarHBondContact O-N 3.26Å; E388-K395 IonicContact OE1-NZ 2.63Å; E388-K395 PolarHBondContact OE1-NZ 2.93Å
389I74.9Confident76.6Confident72 Ų7293.3 Ų93.337%0.36947%0.468SS..Hα-helixtrans-57.1-45.7168.7-75.6165.4000110.1L385 E386 L392 R393L385-I389 HydrophobicContact CD2-CD1 3.76Å; L385-I389 HydrophobicContact CD2-CG1 4.28Å; L385-I389 WeakPolarHBondContact O-CB 3.42Å; L385-I389 WeakPolarHBondContact O-CD1 3.45Å; L385-I389 WeakPolarHBondContact O-CG1 3.35Å; L385-I389 PolarHBondContact O-N 3.34Å; E386-I389 PolarHBondContact O-N 2.96Å; I389-L392 PolarHBondContact O-N 2.88Å; I389-R393 VanDerWaalsContact O-CG 3.32Å; I389-R393 WeakPolarHBondContact O-CG 3.35Å; I389-R393 PolarHBondContact O-N 3.43Å
390E86Confident78.2Confident93 Ų9397.5 Ų97.544%0.43547%0.47SS..Hα-helixtrans-70.8-33.6178.7-161.950.1-130.500112.1E386 A387 E388 R393 S394E386-E390 WeakPolarHBondContact O-CB 3.46Å; E386-E390 PolarHBondContact O-N 2.95Å; A387-E390 PolarHBondContact O-N 2.72Å; E388-E390 VanDerWaalsContact C-N 3.29Å; E388-E390 PolarHBondContact O-N 3.17Å; E390-R393 PolarHBondContact O-N 3.4Å; E390-R393 WeakPolarHBondContact OE2-CD 3.35Å; E390-R393 IonicContact OE2-CZ 3.08Å; E390-R393 IonicContact OE2-NE 3.97Å; E390-R393 IonicContact OE2-NH1 2.63Å; E390-R393 PolarHBondContact OE2-NH1 2.91Å; E390-S394 VanDerWaalsContact O-CB 3.26Å; E390-S394 WeakPolarHBondContact O-CB 3.43Å; E390-S394 PolarHBondContact O-N 3.3Å; E390-S394 PolarHBondContact O-OG 2.93Å; E390-S394 VanDerWaalsContact O-OG 3.1Å
391R84Confident80.2Confident156 Ų156100.3 Ų100.359%0.58948%0.48SS*.Hα-helixtrans-64.1-39.2170.5-143.5-177-164.2104.3-1.8112A387 E388 K395A387-R391 WeakPolarHBondContact O-CB 3.3Å; A387-R391 PolarHBondContact O-N 3.04Å; E388-R391 CarbonylContact O-C 3.57Å; E388-R391 WeakPolarHBondContact O-CB 3.45Å; E388-R391 PolarHBondContact O-N 2.97Å; E388-R391 WeakPolarHBondContact OE2-CD 3.47Å; R391-K395 VanDerWaalsContact O-CG 3.31Å; R391-K395 WeakPolarHBondContact O-CG 3.46Å; R391-K395 PolarHBondContact O-N 3.38Å
392L86.1Confident82Confident93 Ų93106.5 Ų106.549%0.48749%0.494SS..Hα-helixtrans-71.5-41.1177-74.2168.8000111.7E388 I389 K395 R396E388-L392 HydrophobicContact CG-CD1 4.14Å; E388-L392 HydrophobicContact CG-CG 4.24Å; E388-L392 VanDerWaalsContact O-CB 3.3Å; E388-L392 WeakPolarHBondContact O-CB 3.35Å; E388-L392 WeakPolarHBondContact O-CG 3.5Å; E388-L392 PolarHBondContact O-N 3.26Å; I389-L392 PolarHBondContact O-N 2.88Å; L392-K395 HydrophobicContact CD2-CD 4.17Å; L392-K395 PolarHBondContact O-N 3.39Å; L392-R396 WeakPolarHBondContact O-CB 3.32Å; L392-R396 PolarHBondContact O-N 2.77Å
393R89.9Confident83.3Confident121 Ų121109.4 Ų109.446%0.45749%0.492SS..Hα-helixtrans-57.6-49.4168.9-72.7165.8174.8-177.8-0.4110.8I389 E390 K395 R396 D397I389-R393 VanDerWaalsContact O-CG 3.32Å; I389-R393 WeakPolarHBondContact O-CG 3.35Å; I389-R393 PolarHBondContact O-N 3.43Å; E390-R393 PolarHBondContact O-N 3.4Å; E390-R393 WeakPolarHBondContact OE2-CD 3.35Å; E390-R393 IonicContact OE2-CZ 3.08Å; E390-R393 IonicContact OE2-NE 3.97Å; E390-R393 IonicContact OE2-NH1 2.63Å; E390-R393 PolarHBondContact OE2-NH1 2.91Å; R393-K395 VanDerWaalsContact C-N 3.29Å; R393-K395 PolarHBondContact O-N 3.33Å; R393-R396 WeakPolarHBondContact O-CB 3.45Å; R393-R396 PolarHBondContact O-N 3.36Å; R393-D397 PolarHBondContact O-N 2.94Å
394S89.8Confident84.6Confident52 Ų52108 Ų10836%0.36448%0.481SS..Hα-helixtrans-63.1-27.1175.4-72.80000114.3E390 R398E390-S394 VanDerWaalsContact O-CB 3.26Å; E390-S394 WeakPolarHBondContact O-CB 3.43Å; E390-S394 PolarHBondContact O-N 3.3Å; E390-S394 PolarHBondContact O-OG 2.93Å; E390-S394 VanDerWaalsContact O-OG 3.1Å; S394-R398 WeakPolarHBondContact O-CG 3.46Å; S394-R398 PolarHBondContact O-NE 3.47Å
395K91.7Very high86Confident100 Ų100109.8 Ų109.844%0.43548%0.483SS..Hα-helixtrans-75.4-49.6170.9-78.1164.7-178.6163.30110.4E388 R391 L392 R393 D397 R398 E399E388-K395 IonicContact OE1-NZ 2.63Å; E388-K395 PolarHBondContact OE1-NZ 2.93Å; R391-K395 VanDerWaalsContact O-CG 3.31Å; R391-K395 WeakPolarHBondContact O-CG 3.46Å; R391-K395 PolarHBondContact O-N 3.38Å; L392-K395 HydrophobicContact CD2-CD 4.17Å; L392-K395 PolarHBondContact O-N 3.39Å; R393-K395 VanDerWaalsContact C-N 3.29Å; R393-K395 PolarHBondContact O-N 3.33Å; K395-D397 VanDerWaalsContact C-N 3.32Å; K395-D397 PolarHBondContact O-N 3.19Å; K395-R398 PolarHBondContact O-N 2.96Å; K395-E399 WeakPolarHBondContact O-CB 3.39Å; K395-E399 PolarHBondContact O-N 3.28Å
396R89.2Confident87.3Confident149 Ų149110.3 Ų110.356%0.56249%0.489SS*.Hα-helixtrans-54.9-45.7178-179.9-156.966.7-168-3.2111.4L392 R393 E399 Y400L392-R396 WeakPolarHBondContact O-CB 3.32Å; L392-R396 PolarHBondContact O-N 2.77Å; R393-R396 WeakPolarHBondContact O-CB 3.45Å; R393-R396 PolarHBondContact O-N 3.36Å; R396-E399 PolarHBondContact O-N 3.06Å; R396-Y400 WeakPolarHBondContact O-CB 3.48Å; R396-Y400 PolarHBondContact O-N 3.04Å
397D93.1Very high87.8Confident77 Ų77109.7 Ų109.741%0.41249%0.486SS..Hα-helixtrans-70.7-34.9-177.6-71.410.8000112R393 K395 Q401R393-D397 PolarHBondContact O-N 2.94Å; K395-D397 VanDerWaalsContact C-N 3.32Å; K395-D397 PolarHBondContact O-N 3.19Å; D397-Q401 VanDerWaalsContact O-CB 3.3Å; D397-Q401 WeakPolarHBondContact O-CB 3.5Å; D397-Q401 WeakPolarHBondContact O-CG 3.42Å; D397-Q401 PolarHBondContact O-N 3.49Å
398R91.9Very high88.5Confident165 Ų165110.3 Ų110.362%0.62348%0.484SS*.Hα-helixtrans-66.9-36.5170.9-81.2-177.9-78.3-176.3-9.4112.6S394 K395 R402S394-R398 WeakPolarHBondContact O-CG 3.46Å; S394-R398 PolarHBondContact O-NE 3.47Å; K395-R398 PolarHBondContact O-N 2.96Å; R398-R402 PolarHBondContact O-N 3.32Å
399E91Very high89.1Confident78 Ų78111.4 Ų111.436%0.36449%0.492SS..Hα-helixtrans-72.8-39.8176.4-175.555.8-156.800111.6K395 R396 Q401 R402 R403K395-E399 WeakPolarHBondContact O-CB 3.39Å; K395-E399 PolarHBondContact O-N 3.28Å; R396-E399 PolarHBondContact O-N 3.06Å; E399-Q401 PolarHBondContact O-N 2.99Å; E399-R402 WeakPolarHBondContact O-CA 3.37Å; E399-R402 WeakPolarHBondContact O-CB 3.45Å; E399-R402 PolarHBondContact O-N 2.97Å; E399-R402 IonicContact OE2-NH1 2.7Å; E399-R403 WeakPolarHBondContact O-CG 3.32Å; E399-R403 PolarHBondContact O-N 3Å; E399-R403 IonicContact OE1-NE 3.46Å
400Y92.6Very high89.5Confident137 Ų137113.1 Ų113.154%0.53750%0.502SS..Hα-helixtrans-59.4-45.5169.9179.3-98.3000111.4R396 R402 R403 K404R396-Y400 WeakPolarHBondContact O-CB 3.48Å; R396-Y400 PolarHBondContact O-N 3.04Å; Y400-R402 PolarHBondContact O-N 3.32Å; Y400-R403 PolarHBondContact O-N 3.41Å; Y400-K404 HydrophobicContact CE1-CD 4.33Å; Y400-K404 VanDerWaalsContact O-CB 3.31Å; Y400-K404 WeakPolarHBondContact O-CB 3.41Å; Y400-K404 PolarHBondContact O-N 3.1Å
401Q93.6Very high89.6Confident108 Ų108113.9 Ų113.951%0.50551%0.506SS..Hα-helixtrans-66.5-18.6173.1-74.7-77.2-2.600114.1D397 E399 R405D397-Q401 VanDerWaalsContact O-CB 3.3Å; D397-Q401 WeakPolarHBondContact O-CB 3.5Å; D397-Q401 WeakPolarHBondContact O-CG 3.42Å; D397-Q401 PolarHBondContact O-N 3.49Å; E399-Q401 PolarHBondContact O-N 2.99Å; Q401-R405 PolarHBondContact O-NE 3.44Å; Q401-R405 PolarHBondContact O-NH2 3.07Å
402R92.4Very high89.9Confident160 Ų160110.5 Ų110.560%0.60450%0.499SS*.Hα-helixtrans-78.8-56.8167.3-86.1-179.7172.3171.1-4.1110.2R398 E399 Y400 K404 R405 T406R398-R402 PolarHBondContact O-N 3.32Å; E399-R402 WeakPolarHBondContact O-CA 3.37Å; E399-R402 WeakPolarHBondContact O-CB 3.45Å; E399-R402 PolarHBondContact O-N 2.97Å; E399-R402 IonicContact OE2-NH1 2.7Å; Y400-R402 PolarHBondContact O-N 3.32Å; R402-K404 VanDerWaalsContact C-N 3.27Å; R402-K404 PolarHBondContact O-N 3.03Å; R402-R405 WeakPolarHBondContact O-CA 3.35Å; R402-R405 WeakPolarHBondContact O-CB 3.33Å; R402-R405 PolarHBondContact O-N 2.81Å; R402-T406 PolarHBondContact O-N 3.04Å; R402-T406 PolarHBondContact O-OG1 3.35Å; R402-T406 VanDerWaalsContact O-OG1 3.11Å
403R86.8Confident90Very high161 Ų161111.7 Ų111.761%0.60850%0.503SS*.Hα-helixtrans-51.9-45.9-180-71.5-177-177.6-161.6-2111.9E399 Y400 R405 T406 E407E399-R403 WeakPolarHBondContact O-CG 3.32Å; E399-R403 PolarHBondContact O-N 3Å; E399-R403 IonicContact OE1-NE 3.46Å; Y400-R403 PolarHBondContact O-N 3.41Å; R403-R405 VanDerWaalsContact C-N 3.31Å; R403-R405 PolarHBondContact O-N 2.96Å; R403-T406 CarbonylContact O-C 3.41Å; R403-T406 WeakPolarHBondContact O-CA 3.33Å; R403-T406 PolarHBondContact O-N 3.46Å; R403-E407 WeakPolarHBondContact O-CG 3.39Å; R403-E407 PolarHBondContact O-N 3.25Å
404K92.5Very high89.7Confident107 Ų107111.9 Ų111.947%0.46551%0.509SS..Hα-helixtrans-59.1-37.7176.9-171.6168-174.1168.70113.4Y400 R402 T408Y400-K404 HydrophobicContact CE1-CD 4.33Å; Y400-K404 VanDerWaalsContact O-CB 3.31Å; Y400-K404 WeakPolarHBondContact O-CB 3.41Å; Y400-K404 PolarHBondContact O-N 3.1Å; R402-K404 VanDerWaalsContact C-N 3.27Å; R402-K404 PolarHBondContact O-N 3.03Å; K404-T408 PolarHBondContact O-N 2.93Å; K404-T408 VanDerWaalsContact O-N 3.08Å; K404-T408 PolarHBondContact O-OG1 2.92Å
405R91.9Very high89.6Confident151 Ų151114.6 Ų114.657%0.5752%0.515SS*.Hα-helixtrans-68.1-45.4172.1-81178.8-78.7-171.6-6.7111Q401 R402 R403 E407 T408 D409Q401-R405 PolarHBondContact O-NE 3.44Å; Q401-R405 PolarHBondContact O-NH2 3.07Å; R402-R405 WeakPolarHBondContact O-CA 3.35Å; R402-R405 WeakPolarHBondContact O-CB 3.33Å; R402-R405 PolarHBondContact O-N 2.81Å; R403-R405 VanDerWaalsContact C-N 3.31Å; R403-R405 PolarHBondContact O-N 2.96Å; R405-E407 VanDerWaalsContact C-N 3.35Å; R405-E407 PolarHBondContact O-N 3.48Å; R405-T408 WeakPolarHBondContact O-CA 3.45Å; R405-T408 WeakPolarHBondContact O-CB 3.44Å; R405-T408 PolarHBondContact O-N 3.28Å; R405-T408 VanDerWaalsContact O-N 3.1Å; R405-D409 VanDerWaalsContact O-CG 3.28Å; R405-D409 PolarHBondContact O-N 3.22Å
406T88.4Confident89.4Confident77 Ų77115.1 Ų115.147%0.47252%0.519SS..Hα-helixtrans-63.9-35.9177.9-44.30000113R402 R403 D409 L410R402-T406 PolarHBondContact O-N 3.04Å; R402-T406 PolarHBondContact O-OG1 3.35Å; R402-T406 VanDerWaalsContact O-OG1 3.11Å; R403-T406 CarbonylContact O-C 3.41Å; R403-T406 WeakPolarHBondContact O-CA 3.33Å; R403-T406 PolarHBondContact O-N 3.46Å; T406-D409 PolarHBondContact O-N 3.45Å; T406-L410 HydrophobicContact CG2-CD1 4.47Å; T406-L410 WeakPolarHBondContact O-CB 3.34Å; T406-L410 VanDerWaalsContact O-CG 3.25Å; T406-L410 WeakPolarHBondContact O-CG 3.35Å; T406-L410 PolarHBondContact O-N 2.97Å
407E84.9Confident89.2Confident117 Ų117112.1 Ų112.155%0.54751%0.514SS..Hα-helixtrans-63.4-44.1169.9-77.3171.314800111R403 R405 D409 L410 E411R403-E407 WeakPolarHBondContact O-CG 3.39Å; R403-E407 PolarHBondContact O-N 3.25Å; R405-E407 VanDerWaalsContact C-N 3.35Å; R405-E407 PolarHBondContact O-N 3.48Å; E407-D409 VanDerWaalsContact C-N 3.33Å; E407-D409 PolarHBondContact O-N 3.01Å; E407-L410 PolarHBondContact O-N 3.49Å; E407-E411 PolarHBondContact O-N 3.25Å
408T89.6Confident89Confident69 Ų69113.5 Ų113.542%0.42352%0.518SS..Hα-helixtrans-62.4-41.5176-47.40000111.3K404 R405 N412K404-T408 PolarHBondContact O-N 2.93Å; K404-T408 VanDerWaalsContact O-N 3.08Å; K404-T408 PolarHBondContact O-OG1 2.92Å; R405-T408 WeakPolarHBondContact O-CA 3.45Å; R405-T408 WeakPolarHBondContact O-CB 3.44Å; R405-T408 PolarHBondContact O-N 3.28Å; R405-T408 VanDerWaalsContact O-N 3.1Å; T408-N412 VanDerWaalsContact O-CG 3.22Å; T408-N412 PolarHBondContact O-N 3.25Å; T408-N412 PolarHBondContact O-ND2 3.42Å; T408-N412 VanDerWaalsContact O-ND2 3.11Å
409D90.3Very high88.7Confident96 Ų96111.6 Ų111.651%0.51352%0.516SS..Hα-helixtrans-66.2-39.9175.9-64.8-29.9000111.3R405 T406 E407 N412 M413R405-D409 VanDerWaalsContact O-CG 3.28Å; R405-D409 PolarHBondContact O-N 3.22Å; T406-D409 PolarHBondContact O-N 3.45Å; E407-D409 VanDerWaalsContact C-N 3.33Å; E407-D409 PolarHBondContact O-N 3.01Å; D409-N412 PolarHBondContact O-N 3.14Å; D409-M413 WeakPolarHBondContact O-CB 3.38Å; D409-M413 VanDerWaalsContact O-CG 3.26Å; D409-M413 WeakPolarHBondContact O-CG 3.47Å; D409-M413 PolarHBondContact O-N 3.15Å
410L84.5Confident88.2Confident109 Ų109112.2 Ų112.257%0.57152%0.521SS*.Hα-helixtrans-66.2-42.9175.1-77.4169.1000112.3T406 E407 N412 M413 E414T406-L410 HydrophobicContact CG2-CD1 4.47Å; T406-L410 WeakPolarHBondContact O-CB 3.34Å; T406-L410 VanDerWaalsContact O-CG 3.25Å; T406-L410 WeakPolarHBondContact O-CG 3.35Å; T406-L410 PolarHBondContact O-N 2.97Å; E407-L410 PolarHBondContact O-N 3.49Å; L410-N412 VanDerWaalsContact C-N 3.3Å; L410-N412 PolarHBondContact O-N 3.33Å; L410-M413 PolarHBondContact O-N 2.86Å; L410-E414 VanDerWaalsContact O-CB 3.27Å; L410-E414 WeakPolarHBondContact O-CB 3.47Å; L410-E414 PolarHBondContact O-N 2.92Å
411E88Confident87.8Confident109 Ų109112 Ų11251%0.50952%0.523SS..Hα-helixtrans-60.2-39.7173.2-80.6-170.3-167.100112.1E407 E414 K415E407-E411 PolarHBondContact O-N 3.25Å; E411-E414 PolarHBondContact O-N 2.63Å; E411-K415 WeakPolarHBondContact O-CB 3.47Å; E411-K415 VanDerWaalsContact O-CG 3.31Å; E411-K415 WeakPolarHBondContact O-CG 3.27Å; E411-K415 PolarHBondContact O-N 2.78Å; E411-K415 IonicContact OE2-NZ 2.61Å; E411-K415 PolarHBondContact OE2-NZ 3.5Å
412N89.8Confident87.1Confident84 Ų84111.7 Ų111.745%0.44952%0.522SS..Hα-helixtrans-67-46.3177-72.3-30.1000111T408 D409 L410 E414 K415 E416T408-N412 VanDerWaalsContact O-CG 3.22Å; T408-N412 PolarHBondContact O-N 3.25Å; T408-N412 PolarHBondContact O-ND2 3.42Å; T408-N412 VanDerWaalsContact O-ND2 3.11Å; D409-N412 PolarHBondContact O-N 3.14Å; L410-N412 VanDerWaalsContact C-N 3.3Å; L410-N412 PolarHBondContact O-N 3.33Å; N412-E414 VanDerWaalsContact C-N 3.27Å; N412-E414 PolarHBondContact O-N 3Å; N412-K415 PolarHBondContact O-N 3.35Å; N412-E416 WeakPolarHBondContact O-CB 3.47Å; N412-E416 PolarHBondContact O-N 2.8Å
413M87.4Confident86.6Confident118 Ų118111.6 Ų111.658%0.58152%0.522SS*.Hα-helixtrans-60.1-37.1173.1-73.2-69.5-63.600111.8D409 L410 E416 N417D409-M413 WeakPolarHBondContact O-CB 3.38Å; D409-M413 VanDerWaalsContact O-CG 3.26Å; D409-M413 WeakPolarHBondContact O-CG 3.47Å; D409-M413 PolarHBondContact O-N 3.15Å; L410-M413 PolarHBondContact O-N 2.86Å; M413-E416 PolarHBondContact O-N 3.05Å; M413-N417 WeakPolarHBondContact O-CB 3.45Å; M413-N417 PolarHBondContact O-N 3.34Å
414E84.1Confident86.1Confident125 Ų125108.1 Ų108.158%0.58451%0.514SS*.Hα-helixtrans-74.3-37179.6-169.6161.1-137.100112L410 E411 N412 N417 Q418L410-E414 VanDerWaalsContact O-CB 3.27Å; L410-E414 WeakPolarHBondContact O-CB 3.47Å; L410-E414 PolarHBondContact O-N 2.92Å; E411-E414 PolarHBondContact O-N 2.63Å; N412-E414 VanDerWaalsContact C-N 3.27Å; N412-E414 PolarHBondContact O-N 3Å; E414-N417 PolarHBondContact O-N 3.09Å; E414-Q418 WeakPolarHBondContact O-CB 3.36Å; E414-Q418 VanDerWaalsContact O-CG 3.28Å; E414-Q418 WeakPolarHBondContact O-CG 3.34Å; E414-Q418 PolarHBondContact O-N 3.46Å
415K88.3Confident85.5Confident109 Ų109108.6 Ų108.647%0.47452%0.516SS..Hα-helixtrans-61.2-47.4167.7-75.6164.2-173.71480111.3E411 N412 N417 Q418 E419E411-K415 WeakPolarHBondContact O-CB 3.47Å; E411-K415 VanDerWaalsContact O-CG 3.31Å; E411-K415 WeakPolarHBondContact O-CG 3.27Å; E411-K415 PolarHBondContact O-N 2.78Å; E411-K415 IonicContact OE2-NZ 2.61Å; E411-K415 PolarHBondContact OE2-NZ 3.5Å; N412-K415 PolarHBondContact O-N 3.35Å; K415-N417 VanDerWaalsContact C-N 3.3Å; K415-N417 PolarHBondContact O-N 3.48Å; K415-Q418 CarbonylContact O-C 3.59Å; K415-Q418 WeakPolarHBondContact O-CB 3.49Å; K415-Q418 PolarHBondContact O-N 3.36Å; K415-E419 PolarHBondContact O-N 2.95Å
416E88.5Confident84.6Confident112 Ų112108.1 Ų108.152%0.52351%0.514SS..Hα-helixtrans-63-37.8177-168.1173.4-140.800111.3N412 M413 E419 L420N412-E416 WeakPolarHBondContact O-CB 3.47Å; N412-E416 PolarHBondContact O-N 2.8Å; M413-E416 PolarHBondContact O-N 3.05Å; E416-E419 PolarHBondContact O-N 2.99Å; E416-L420 HydrophobicContact CG-CD1 4.46Å; E416-L420 WeakPolarHBondContact O-CB 3.44Å; E416-L420 VanDerWaalsContact O-CG 3.25Å; E416-L420 WeakPolarHBondContact O-CG 3.46Å; E416-L420 PolarHBondContact O-N 2.96Å
417N83.8Confident83.8Confident86 Ų86109.8 Ų109.846%0.4652%0.52SS..Hα-helixtrans-69.9-34174.5-161-20.3000112.1M413 E414 K415 K421M413-N417 WeakPolarHBondContact O-CB 3.45Å; M413-N417 PolarHBondContact O-N 3.34Å; E414-N417 PolarHBondContact O-N 3.09Å; K415-N417 VanDerWaalsContact C-N 3.3Å; K415-N417 PolarHBondContact O-N 3.48Å; N417-K421 WeakPolarHBondContact O-CB 3.41Å; N417-K421 VanDerWaalsContact O-CG 3.26Å; N417-K421 WeakPolarHBondContact O-CG 3.32Å; N417-K421 PolarHBondContact O-N 2.87Å
418Q88.6Confident83Confident105 Ų105110 Ų11049%0.49152%0.52SS..Hα-helixtrans-68.1-41.5169.7-74.6178.431.400111.9E414 K415 K421 Q422E414-Q418 WeakPolarHBondContact O-CB 3.36Å; E414-Q418 VanDerWaalsContact O-CG 3.28Å; E414-Q418 WeakPolarHBondContact O-CG 3.34Å; E414-Q418 PolarHBondContact O-N 3.46Å; K415-Q418 CarbonylContact O-C 3.59Å; K415-Q418 WeakPolarHBondContact O-CB 3.49Å; K415-Q418 PolarHBondContact O-N 3.36Å; Q418-K421 PolarHBondContact O-N 3.42Å; Q418-Q422 WeakPolarHBondContact O-CG 3.38Å; Q418-Q422 PolarHBondContact O-N 3.47Å
419E86.5Confident82Confident126 Ų126112 Ų11259%0.58953%0.525SS*.Hα-helixtrans-62.5-44.4172.8-75.1-165.5-175.100111.3K415 E416 Q422 R423K415-E419 PolarHBondContact O-N 2.95Å; E416-E419 PolarHBondContact O-N 2.99Å; E419-Q422 PolarHBondContact O-N 2.95Å; E419-R423 VanDerWaalsContact O-CB 3.25Å; E419-R423 WeakPolarHBondContact O-CB 3.39Å; E419-R423 PolarHBondContact O-N 3.47Å
420L79.7Confident80.7Confident90 Ų90110.2 Ų110.247%0.47152%0.524SS..Hα-helixtrans-61.3-44.8173.8-75.6169.9000111.3E416 Q422 R423 I424E416-L420 HydrophobicContact CG-CD1 4.46Å; E416-L420 WeakPolarHBondContact O-CB 3.44Å; E416-L420 VanDerWaalsContact O-CG 3.25Å; E416-L420 WeakPolarHBondContact O-CG 3.46Å; E416-L420 PolarHBondContact O-N 2.96Å; L420-Q422 PolarHBondContact O-N 3.39Å; L420-R423 CarbonylContact O-C 3.5Å; L420-R423 PolarHBondContact O-N 2.98Å; L420-R423 VanDerWaalsContact O-N 3.12Å; L420-I424 WeakPolarHBondContact O-CB 3.31Å; L420-I424 VanDerWaalsContact O-CG1 3.25Å; L420-I424 WeakPolarHBondContact O-CG1 3.46Å; L420-I424 PolarHBondContact O-N 3.43Å
421K83.5Confident79.3Confident134 Ų134108.1 Ų108.158%0.58352%0.522SS*.Hα-helixtrans-60.4-41.7173.3-79173.3-177.7176.30112.2N417 Q418 R423 K425N417-K421 WeakPolarHBondContact O-CB 3.41Å; N417-K421 VanDerWaalsContact O-CG 3.26Å; N417-K421 WeakPolarHBondContact O-CG 3.32Å; N417-K421 PolarHBondContact O-N 2.87Å; Q418-K421 PolarHBondContact O-N 3.42Å; K421-R423 VanDerWaalsContact C-N 3.33Å; K421-K425 VanDerWaalsContact O-CB 3.31Å; K421-K425 WeakPolarHBondContact O-CB 3.44Å; K421-K425 PolarHBondContact O-N 2.93Å
422Q80.9Confident77.4Confident101 Ų101109.9 Ų109.947%0.47253%0.534SS..Hα-helixtrans-66.7-35.2173.6-72-174.927.600112.3Q418 E419 L420 K425 R426Q418-Q422 WeakPolarHBondContact O-CG 3.38Å; Q418-Q422 PolarHBondContact O-N 3.47Å; E419-Q422 PolarHBondContact O-N 2.95Å; L420-Q422 PolarHBondContact O-N 3.39Å; Q422-K425 PolarHBondContact O-N 3.07Å; Q422-R426 WeakPolarHBondContact O-CB 3.48Å; Q422-R426 VanDerWaalsContact O-CG 3.24Å; Q422-R426 WeakPolarHBondContact O-CG 3.44Å; Q422-R426 PolarHBondContact O-N 2.88Å
423R81.2Confident74.9Confident158 Ų158109.7 Ų109.760%0.59654%0.544SS*.Hα-helixtrans-72.7-40.5179.6-155.5168-166.2146.7-2.5111E419 L420 K421 R426 L427E419-R423 VanDerWaalsContact O-CB 3.25Å; E419-R423 WeakPolarHBondContact O-CB 3.39Å; E419-R423 PolarHBondContact O-N 3.47Å; L420-R423 CarbonylContact O-C 3.5Å; L420-R423 PolarHBondContact O-N 2.98Å; L420-R423 VanDerWaalsContact O-N 3.12Å; K421-R423 VanDerWaalsContact C-N 3.33Å; R423-R426 PolarHBondContact O-N 3Å; R423-L427 WeakPolarHBondContact O-CB 3.46Å; R423-L427 WeakPolarHBondContact O-CG 3.49Å; R423-L427 PolarHBondContact O-N 3.28Å
424I76.8Confident72.3Confident88 Ų88110 Ų11045%0.45155%0.552SS.*Hα-helixtrans-59.5-51.4167.7-70.3164.8000109.2L420 R426 L427 E428L420-I424 WeakPolarHBondContact O-CB 3.31Å; L420-I424 VanDerWaalsContact O-CG1 3.25Å; L420-I424 WeakPolarHBondContact O-CG1 3.46Å; L420-I424 PolarHBondContact O-N 3.43Å; I424-R426 VanDerWaalsContact C-N 3.34Å; I424-R426 PolarHBondContact O-N 3.26Å; I424-L427 CarbonylContact O-C 3.58Å; I424-L427 WeakPolarHBondContact O-CA 3.37Å; I424-L427 WeakPolarHBondContact O-CB 3.45Å; I424-L427 PolarHBondContact O-N 3.13Å; I424-E428 HydrophobicContact CG2-CG 4.14Å; I424-E428 WeakPolarHBondContact O-CG 3.48Å; I424-E428 PolarHBondContact O-N 2.7Å
425K78.3Confident70Confident117 Ų117109.5 Ų109.551%0.50956%0.56SS.*Hα-helixtrans-58.1-43178.5-164.9-173.9-174.6-1140112.7K421 Q422 L427 E428 E429K421-K425 VanDerWaalsContact O-CB 3.31Å; K421-K425 WeakPolarHBondContact O-CB 3.44Å; K421-K425 PolarHBondContact O-N 2.93Å; Q422-K425 PolarHBondContact O-N 3.07Å; K425-L427 VanDerWaalsContact C-N 3.3Å; K425-L427 PolarHBondContact O-N 3.33Å; K425-E428 PolarHBondContact O-N 3.36Å; K425-E429 WeakPolarHBondContact CE-OE1 3.49Å; K425-E429 IonicContact NZ-OE1 3.29Å; K425-E429 PolarHBondContact NZ-OE1 3.11Å; K425-E429 WeakPolarHBondContact O-CB 3.36Å; K425-E429 VanDerWaalsContact O-CG 3.26Å; K425-E429 WeakPolarHBondContact O-CG 3.19Å; K425-E429 PolarHBondContact O-N 3.28Å
426R74.8Confident67.3Low140 Ų140110.1 Ų110.153%0.52858%0.575SS.*Hα-helixtrans-64.6-33.4173.5-71.5174.9-138.9145.43.2112.4Q422 R423 I424 A430Q422-R426 WeakPolarHBondContact O-CB 3.48Å; Q422-R426 VanDerWaalsContact O-CG 3.24Å; Q422-R426 WeakPolarHBondContact O-CG 3.44Å; Q422-R426 PolarHBondContact O-N 2.88Å; R423-R426 PolarHBondContact O-N 3Å; I424-R426 VanDerWaalsContact C-N 3.34Å; I424-R426 PolarHBondContact O-N 3.26Å; R426-A430 VanDerWaalsContact O-CB 3.25Å; R426-A430 WeakPolarHBondContact O-CB 3.39Å; R426-A430 PolarHBondContact O-N 3.07Å
427L71.1Confident64.4Low112 Ų112114.2 Ų114.259%0.58659%0.591SS**Hα-helixtrans-75.1-32.7174.4-73.9168.1000112.2R423 I424 K425 A430 A431R423-L427 WeakPolarHBondContact O-CB 3.46Å; R423-L427 WeakPolarHBondContact O-CG 3.49Å; R423-L427 PolarHBondContact O-N 3.28Å; I424-L427 CarbonylContact O-C 3.58Å; I424-L427 WeakPolarHBondContact O-CA 3.37Å; I424-L427 WeakPolarHBondContact O-CB 3.45Å; I424-L427 PolarHBondContact O-N 3.13Å; K425-L427 VanDerWaalsContact C-N 3.3Å; K425-L427 PolarHBondContact O-N 3.33Å; L427-A430 CarbonylContact O-C 3.59Å; L427-A430 PolarHBondContact O-N 3.48Å; L427-A431 WeakPolarHBondContact O-CA 3.46Å; L427-A431 WeakPolarHBondContact O-CB 3.46Å; L427-A431 PolarHBondContact O-N 3.33Å
428E68.4Low62.1Low121 Ų121116.3 Ų116.357%0.56561%0.609SS**Hα-helixtrans-69.9-46.2172.7-71.7172.9151.200110.7I424 K425 A430 A431 I432I424-E428 HydrophobicContact CG2-CG 4.14Å; I424-E428 WeakPolarHBondContact O-CG 3.48Å; I424-E428 PolarHBondContact O-N 2.7Å; K425-E428 PolarHBondContact O-N 3.36Å; E428-A430 PolarHBondContact O-N 3.43Å; E428-A431 PolarHBondContact O-N 2.9Å; E428-A431 VanDerWaalsContact O-N 3.13Å; E428-I432 PolarHBondContact O-N 3.47Å
429E67.1Low59.2Low111 Ų111119.6 Ų119.652%0.51963%0.627SS.*Hα-helixtrans-58.1-35.3171.2-73.2169.4-178.700111.5K425K425-E429 WeakPolarHBondContact CE-OE1 3.49Å; K425-E429 IonicContact NZ-OE1 3.29Å; K425-E429 PolarHBondContact NZ-OE1 3.11Å; K425-E429 WeakPolarHBondContact O-CB 3.36Å; K425-E429 VanDerWaalsContact O-CG 3.26Å; K425-E429 WeakPolarHBondContact O-CG 3.19Å; K425-E429 PolarHBondContact O-N 3.28Å
430A63.8Low56.5Low59 Ų59121.6 Ų121.649%0.48864%0.64SS.*Hα-helixtrans-78.3-33173.200000113.8R426 L427 E428 I432 A433R426-A430 VanDerWaalsContact O-CB 3.25Å; R426-A430 WeakPolarHBondContact O-CB 3.39Å; R426-A430 PolarHBondContact O-N 3.07Å; L427-A430 CarbonylContact O-C 3.59Å; L427-A430 PolarHBondContact O-N 3.48Å; E428-A430 PolarHBondContact O-N 3.43Å; A430-I432 PolarHBondContact O-N 2.99Å; A430-A433 VanDerWaalsContact O-CB 3.32Å; A430-A433 WeakPolarHBondContact O-CB 3.47Å; A430-A433 PolarHBondContact O-N 3.5Å
431A54.3Low54.6Low65 Ų65122.8 Ų122.854%0.53765%0.653SS.*Hα-helixtrans-77.4-6.5-177.100000113.9L427 E428 A433L427-A431 WeakPolarHBondContact O-CA 3.46Å; L427-A431 WeakPolarHBondContact O-CB 3.46Å; L427-A431 PolarHBondContact O-N 3.33Å; E428-A431 PolarHBondContact O-N 2.9Å; E428-A431 VanDerWaalsContact O-N 3.13Å; A431-A433 CarbonylContact O-C 3.6Å; A431-A433 PolarHBondContact O-N 3.41Å
432I48.8Very low52.4Low147 Ų147125.6 Ų125.675%0.75467%0.669SS**THydrogen-bonded Turntrans-63.5-17.6161.8-65.6169.5000110.5E428 A430 T434E428-I432 PolarHBondContact O-N 3.47Å; A430-I432 PolarHBondContact O-N 2.99Å; I432-T434 PolarHBondContact O-N 3.48Å
433A38.2Very low50.3Low80 Ų80125.8 Ų125.866%0.66168%0.681SS**SBendtrans-81.8104.5155.500000110.8A430 A431A430-A433 VanDerWaalsContact O-CB 3.32Å; A430-A433 WeakPolarHBondContact O-CB 3.47Å; A430-A433 PolarHBondContact O-N 3.5Å; A431-A433 CarbonylContact O-C 3.6Å; A431-A433 PolarHBondContact O-N 3.41Å
434T31Very low48.8Very low123 Ų123123.8 Ų123.876%0.75568%0.682SS**  trans-77.5171.4167.655.90000111I432I432-T434 PolarHBondContact O-N 3.48Å
435P35.9Very low47.8Very low116 Ų116123.9 Ų123.975%0.75369%0.688SS**  cis-111.8-152.3-13.442.6-27.6000109.2
436P33.3Very low47.2Very low122 Ų122122 Ų12279%0.79269%0.69SS**  cis-130.5-134.7-4.243.2-23.3000114.2
437K27.5Very low46.6Very low198 Ų198119.1 Ų119.186%0.86169%0.685SS**  trans-112.3133.6-170-65.6166.3177.11730111.9
438P35Very low46.6Very low129 Ų129123 Ų12384%0.83869%0.692SS**  trans-75.9135.8170.3-1127.2000112.1
439M27.4Very low47Very low174 Ų174122.2 Ų122.286%0.85769%0.692SS**  trans-70.1150.3167.1-79.8166.150.700111.2P441M439-P441 WeakPolarHBondContact O-CD 3.38Å
440I30.6Very low47.7Very low168 Ų168122.9 Ų122.986%0.86269%0.693SS**  trans-81.1111.1176.5-59.3164.3000108.9
441P38.5Very low48.4Very low116 Ų116124.4 Ų124.475%0.75369%0.692SS**  trans-82.6150.1175.3-8.629.6000110.8M439M439-P441 WeakPolarHBondContact O-CD 3.38Å
442Q37.6Very low49.7Very low193 Ų193126 Ų12690%0.90269%0.691SS**  trans-74148.1-178.5-65.6171.7-6700111.4D444Q442-D444 PolarHBondContact O-N 3.27Å
443S37.8Very low51.3Low105 Ų105125.9 Ų125.973%0.73469%0.686SS**  trans-63.5115.9-170.460.20000113.6
444D49Very low53.6Low115 Ų115127.1 Ų127.162%0.61568%0.681SS**  trans-80.8157.2166.8-125.7-16.8000110.2Q442 S446 D447Q442-D444 PolarHBondContact O-N 3.27Å; D444-S446 PolarHBondContact O-N 3.01Å; D444-D447 PolarHBondContact O-N 3Å
445P55.5Low56.3Low90 Ų90126.7 Ų126.758%0.58467%0.671SS**Hα-helixtrans-56.5-24.2179.7-26.935.9000114.5D447 R448 N449P445-D447 VanDerWaalsContact C-N 3.34Å; P445-D447 PolarHBondContact O-N 2.69Å; P445-R448 WeakPolarHBondContact O-CB 3.46Å; P445-R448 PolarHBondContact O-N 2.87Å; P445-N449 PolarHBondContact O-N 2.95Å; P445-N449 VanDerWaalsContact O-N 3.08Å
446S65.7Low58.9Low79 Ų79123 Ų12355%0.55266%0.655SS**Hα-helixtrans-52.1-48.2170.4177.10000112.3D444 R448 N449 K450D444-S446 PolarHBondContact O-N 3.01Å; S446-R448 VanDerWaalsContact C-N 3.29Å; S446-R448 PolarHBondContact O-N 2.8Å; S446-N449 PolarHBondContact O-N 3.38Å; S446-K450 WeakPolarHBondContact O-CB 3.36Å; S446-K450 PolarHBondContact O-N 3.19Å
447D63.2Low61.7Low78 Ų78119.5 Ų119.542%0.41764%0.636SS.*Hα-helixtrans-67.6-33.6-179.2-67.9-29.5000111.4D444 P445 K450 I451D444-D447 PolarHBondContact O-N 3Å; P445-D447 VanDerWaalsContact C-N 3.34Å; P445-D447 PolarHBondContact O-N 2.69Å; D447-K450 PolarHBondContact O-N 3.02Å; D447-I451 WeakPolarHBondContact O-CB 3.44Å; D447-I451 WeakPolarHBondContact O-CD1 3.31Å; D447-I451 WeakPolarHBondContact O-CG1 3.29Å; D447-I451 PolarHBondContact O-N 3.24Å
448R70.6Confident64.6Low194 Ų194114.4 Ų114.473%0.73262%0.621SS**Hα-helixtrans-66.3-43177.5-149.9175.5-162.8148.93.5111.4P445 S446 I451 I452P445-R448 WeakPolarHBondContact O-CB 3.46Å; P445-R448 PolarHBondContact O-N 2.87Å; S446-R448 VanDerWaalsContact C-N 3.29Å; S446-R448 PolarHBondContact O-N 2.8Å; R448-I451 PolarHBondContact O-N 3Å; R448-I452 WeakPolarHBondContact O-CD1 3.4Å; R448-I452 VanDerWaalsContact O-CG1 3.28Å; R448-I452 WeakPolarHBondContact O-CG1 3.41Å; R448-I452 PolarHBondContact O-N 3.17Å
449N77.3Confident67.3Low105 Ų105113 Ų11356%0.56161%0.606SS**Hα-helixtrans-63.9-42.8172.7-71.1-15.5000111.3P445 S446 I451 I452 E453P445-N449 PolarHBondContact O-N 2.95Å; P445-N449 VanDerWaalsContact O-N 3.08Å; S446-N449 PolarHBondContact O-N 3.38Å; N449-I451 PolarHBondContact O-N 3.45Å; N449-I452 WeakPolarHBondContact O-CB 3.45Å; N449-I452 PolarHBondContact O-N 2.96Å; N449-I452 VanDerWaalsContact O-N 3.13Å; N449-E453 PolarHBondContact O-N 3.39Å
450K81.7Confident70.3Confident125 Ų125109.6 Ų109.654%0.54359%0.588SS.*Hα-helixtrans-66.4-35.7178.8-160.8162-171.3169.50112.8S446 D447 E453 L454S446-K450 WeakPolarHBondContact O-CB 3.36Å; S446-K450 PolarHBondContact O-N 3.19Å; D447-K450 PolarHBondContact O-N 3.02Å; K450-E453 PolarHBondContact O-N 2.88Å; K450-L454 HydrophobicContact CG-CD1 4.37Å; K450-L454 VanDerWaalsContact O-CB 3.3Å; K450-L454 WeakPolarHBondContact O-CB 3.42Å; K450-L454 WeakPolarHBondContact O-CD1 3.36Å; K450-L454 WeakPolarHBondContact O-CG 3.41Å; K450-L454 PolarHBondContact O-N 3.16Å
451I78Confident73.2Confident90 Ų90106.5 Ų106.546%0.46257%0.573SS.*Hα-helixtrans-64.6-40.8171-72.4163000110.5D447 R448 N449 L454 Q455D447-I451 WeakPolarHBondContact O-CB 3.44Å; D447-I451 WeakPolarHBondContact O-CD1 3.31Å; D447-I451 WeakPolarHBondContact O-CG1 3.29Å; D447-I451 PolarHBondContact O-N 3.24Å; R448-I451 PolarHBondContact O-N 3Å; N449-I451 PolarHBondContact O-N 3.45Å; I451-L454 PolarHBondContact O-N 3.18Å; I451-Q455 HydrophobicContact CG2-CG 4.38Å; I451-Q455 VanDerWaalsContact O-CB 3.32Å; I451-Q455 WeakPolarHBondContact O-CB 3.34Å; I451-Q455 VanDerWaalsContact O-CG 3.22Å; I451-Q455 WeakPolarHBondContact O-CG 3.29Å; I451-Q455 PolarHBondContact O-N 2.89Å
452I81.9Confident75.7Confident100 Ų100110.1 Ų110.151%0.51357%0.572SS.*Hα-helixtrans-65.8-43.8176.1-68.9163000111.1R448 N449 Q455 G456R448-I452 WeakPolarHBondContact O-CD1 3.4Å; R448-I452 VanDerWaalsContact O-CG1 3.28Å; R448-I452 WeakPolarHBondContact O-CG1 3.41Å; R448-I452 PolarHBondContact O-N 3.17Å; N449-I452 WeakPolarHBondContact O-CB 3.45Å; N449-I452 PolarHBondContact O-N 2.96Å; N449-I452 VanDerWaalsContact O-N 3.13Å; I452-Q455 PolarHBondContact O-N 3.38Å; I452-G456 PolarHBondContact O-N 3.11Å
453E82Confident78.2Confident143 Ų143107.1 Ų107.167%0.66856%0.559SS**Hα-helixtrans-61.1-45.2174.1-74.2-176.6160.100111.8N449 K450 G456 A457N449-E453 PolarHBondContact O-N 3.39Å; K450-E453 PolarHBondContact O-N 2.88Å; E453-G456 PolarHBondContact O-N 3.46Å; E453-A457 WeakPolarHBondContact O-CB 3.18Å; E453-A457 PolarHBondContact O-N 3.01Å
454L86.4Confident80.8Confident106 Ų106105.6 Ų105.656%0.55554%0.543SS*.Hα-helixtrans-64.8-39.2176.3-73.2169.2000112.1K450 I451 G456 A457 V458K450-L454 HydrophobicContact CG-CD1 4.37Å; K450-L454 VanDerWaalsContact O-CB 3.3Å; K450-L454 WeakPolarHBondContact O-CB 3.42Å; K450-L454 WeakPolarHBondContact O-CD1 3.36Å; K450-L454 WeakPolarHBondContact O-CG 3.41Å; K450-L454 PolarHBondContact O-N 3.16Å; I451-L454 PolarHBondContact O-N 3.18Å; L454-G456 VanDerWaalsContact C-N 3.35Å; L454-A457 PolarHBondContact O-N 3.32Å; L454-V458 WeakPolarHBondContact O-CB 3.46Å; L454-V458 VanDerWaalsContact O-CG2 3.24Å; L454-V458 WeakPolarHBondContact O-CG2 3.31Å; L454-V458 PolarHBondContact O-N 2.72Å
455Q88.5Confident82.9Confident114 Ų114105 Ų10553%0.53354%0.54SS..Hα-helixtrans-64-39.7172.5-77.5174.2-900111.6I451 I452 N459I451-Q455 HydrophobicContact CG2-CG 4.38Å; I451-Q455 VanDerWaalsContact O-CB 3.32Å; I451-Q455 WeakPolarHBondContact O-CB 3.34Å; I451-Q455 VanDerWaalsContact O-CG 3.22Å; I451-Q455 WeakPolarHBondContact O-CG 3.29Å; I451-Q455 PolarHBondContact O-N 2.89Å; I452-Q455 PolarHBondContact O-N 3.38Å; Q455-N459 WeakPolarHBondContact O-CB 3.32Å; Q455-N459 VanDerWaalsContact O-CG 3.27Å; Q455-N459 PolarHBondContact O-N 3.34Å; Q455-N459 PolarHBondContact O-ND2 3.42Å
456G90.2Very high84.6Confident40 Ų40106.2 Ų106.241%0.41254%0.538SS..Hα-helixtrans-61.2-48.5172.500000112.3I452 E453 L454 N459 Q460I452-G456 PolarHBondContact O-N 3.11Å; E453-G456 PolarHBondContact O-N 3.46Å; L454-G456 VanDerWaalsContact C-N 3.35Å; G456-N459 PolarHBondContact O-N 3.38Å; G456-Q460 PolarHBondContact O-N 3Å
457A90.4Very high85.8Confident48 Ų48104.8 Ų104.840%0.39753%0.531SS..Hα-helixtrans-62.8-43.2177.200000112.3E453 L454 Q460 L461E453-A457 WeakPolarHBondContact O-CB 3.18Å; E453-A457 PolarHBondContact O-N 3.01Å; L454-A457 PolarHBondContact O-N 3.32Å; A457-Q460 PolarHBondContact O-N 3.46Å; A457-L461 WeakPolarHBondContact O-CB 3.5Å; A457-L461 VanDerWaalsContact O-CG 3.27Å; A457-L461 WeakPolarHBondContact O-CG 3.37Å; A457-L461 PolarHBondContact O-N 2.92Å
458V89.8Confident87.2Confident91 Ų91106.5 Ų106.555%0.55253%0.534SS*.Hα-helixtrans-64-41.2175.7167.50000111.5L454 R462L454-V458 WeakPolarHBondContact O-CB 3.46Å; L454-V458 VanDerWaalsContact O-CG2 3.24Å; L454-V458 WeakPolarHBondContact O-CG2 3.31Å; L454-V458 PolarHBondContact O-N 2.72Å; V458-R462 VanDerWaalsContact O-CB 3.3Å; V458-R462 WeakPolarHBondContact O-CB 3.47Å; V458-R462 PolarHBondContact O-N 3.03Å
459N90.8Very high88Confident99 Ų99105.4 Ų105.453%0.52953%0.53SS..Hα-helixtrans-66-41.3175.5-76.6-27.3000112Q455 G456 R462 M463Q455-N459 WeakPolarHBondContact O-CB 3.32Å; Q455-N459 VanDerWaalsContact O-CG 3.27Å; Q455-N459 PolarHBondContact O-N 3.34Å; Q455-N459 PolarHBondContact O-ND2 3.42Å; G456-N459 PolarHBondContact O-N 3.38Å; N459-R462 PolarHBondContact O-N 3.32Å; N459-M463 WeakPolarHBondContact O-CG 3.37Å; N459-M463 PolarHBondContact O-N 2.91Å
460Q91.2Very high88.6Confident102 Ų102103.8 Ų103.848%0.47753%0.527SS..Hα-helixtrans-62.8-49.2174.8-173.361.45400111.2G456 A457 R462 M463 D464G456-Q460 PolarHBondContact O-N 3Å; A457-Q460 PolarHBondContact O-N 3.46Å; Q460-R462 PolarHBondContact O-N 2.73Å; Q460-M463 PolarHBondContact O-N 3.32Å; Q460-M463 VanDerWaalsContact O-N 3.08Å; Q460-D464 PolarHBondContact NE2-OD1 3.02Å; Q460-D464 WeakPolarHBondContact O-CB 3.5Å; Q460-D464 VanDerWaalsContact O-CG 3.23Å; Q460-D464 PolarHBondContact O-N 3.47Å
461L91.2Very high88.9Confident104 Ų104102.2 Ų102.255%0.54552%0.522SS..Hα-helixtrans-59-31.3175.7-73.8170.4000112.7A457 N465A457-L461 WeakPolarHBondContact O-CB 3.5Å; A457-L461 VanDerWaalsContact O-CG 3.27Å; A457-L461 WeakPolarHBondContact O-CG 3.37Å; A457-L461 PolarHBondContact O-N 2.92Å; L461-N465 WeakPolarHBondContact O-CB 3.39Å; L461-N465 PolarHBondContact O-N 3.14Å; L461-N465 PolarHBondContact O-ND2 3.3Å
462R91.8Very high89.5Confident191 Ų191102.7 Ų102.772%0.72153%0.525SS*.Hα-helixtrans-72.3-41.4174.9-173.2175.2176.1165.2-0.6112V458 N459 Q460 E466V458-R462 VanDerWaalsContact O-CB 3.3Å; V458-R462 WeakPolarHBondContact O-CB 3.47Å; V458-R462 PolarHBondContact O-N 3.03Å; N459-R462 PolarHBondContact O-N 3.32Å; Q460-R462 PolarHBondContact O-N 2.73Å; R462-E466 PolarHBondContact O-N 2.75Å; R462-E466 VanDerWaalsContact O-N 3.14Å
463M89.9Confident89.8Confident131 Ų131104.7 Ų104.765%0.64553%0.53SS*.Hα-helixtrans-64.9-42.3172.5-70.1-171.870.300111.7N459 Q460 N465 E466 A467N459-M463 WeakPolarHBondContact O-CG 3.37Å; N459-M463 PolarHBondContact O-N 2.91Å; Q460-M463 PolarHBondContact O-N 3.32Å; Q460-M463 VanDerWaalsContact O-N 3.08Å; M463-N465 PolarHBondContact O-N 3.3Å; M463-E466 PolarHBondContact O-N 3.02Å; M463-A467 PolarHBondContact O-N 3.22Å
464D91.8Very high90.1Very high73 Ų73101.7 Ų101.739%0.3952%0.519SS..Hα-helixtrans-65.1-39.5178.6-65.3-15000111.5Q460 A467 K468Q460-D464 PolarHBondContact NE2-OD1 3.02Å; Q460-D464 WeakPolarHBondContact O-CB 3.5Å; Q460-D464 VanDerWaalsContact O-CG 3.23Å; Q460-D464 PolarHBondContact O-N 3.47Å; D464-A467 PolarHBondContact O-N 3.15Å; D464-K468 WeakPolarHBondContact O-CB 3.46Å; D464-K468 WeakPolarHBondContact O-CG 3.32Å; D464-K468 PolarHBondContact O-N 3.28Å
465N92.3Very high90.2Very high102 Ų102101.9 Ų101.955%0.54552%0.519SS..Hα-helixtrans-63.1-40.1172.9-92.9-83.9000112.6L461 M463 K468 R469L461-N465 WeakPolarHBondContact O-CB 3.39Å; L461-N465 PolarHBondContact O-N 3.14Å; L461-N465 PolarHBondContact O-ND2 3.3Å; M463-N465 PolarHBondContact O-N 3.3Å; N465-K468 PolarHBondContact O-N 2.93Å; N465-R469 WeakPolarHBondContact O-CB 3.46Å; N465-R469 WeakPolarHBondContact O-CG 3.48Å; N465-R469 PolarHBondContact O-N 2.81Å
466E92.1Very high90.1Very high116 Ų116104.7 Ų104.754%0.54253%0.525SS..Hα-helixtrans-69.3-40.4179-159.260.4-152.500111.4R462 M463 K468 R469 S470R462-E466 PolarHBondContact O-N 2.75Å; R462-E466 VanDerWaalsContact O-N 3.14Å; M463-E466 PolarHBondContact O-N 3.02Å; E466-K468 PolarHBondContact O-N 3.5Å; E466-R469 WeakPolarHBondContact O-CB 3.38Å; E466-R469 PolarHBondContact O-N 3.31Å; E466-R469 IonicContact OE2-NH1 2.69Å; E466-S470 PolarHBondContact O-N 3.01Å
467A90.1Very high90.1Very high49 Ų49106 Ų10641%0.40553%0.528SS..Hα-helixtrans-59.7-45.4171.400000111.8M463 D464 R469 S470 E471M463-A467 PolarHBondContact O-N 3.22Å; D464-A467 PolarHBondContact O-N 3.15Å; A467-R469 VanDerWaalsContact C-N 3.3Å; A467-R469 PolarHBondContact O-N 3.49Å; A467-S470 WeakPolarHBondContact O-CB 3.49Å; A467-S470 PolarHBondContact O-N 3.18Å; A467-E471 PolarHBondContact O-N 2.96Å
468K92.5Very high90Very high114 Ų114112.2 Ų112.250%0.49654%0.541SS..Hα-helixtrans-65.5-30.6176.8-70-72.9161.6-127.90113.2D464 N465 E466 E471 L472D464-K468 WeakPolarHBondContact O-CB 3.46Å; D464-K468 WeakPolarHBondContact O-CG 3.32Å; D464-K468 PolarHBondContact O-N 3.28Å; N465-K468 PolarHBondContact O-N 2.93Å; E466-K468 PolarHBondContact O-N 3.5Å; K468-E471 IonicContact NZ-OE1 3.98Å; K468-E471 PolarHBondContact NZ-OE1 3.06Å; K468-E471 IonicContact NZ-OE2 3.81Å; K468-E471 PolarHBondContact NZ-OE2 3.02Å; K468-L472 WeakPolarHBondContact O-CB 3.46Å; K468-L472 PolarHBondContact O-N 3.1Å
469R89Confident90Very high170 Ų170114.7 Ų114.764%0.64255%0.545SS*.Hα-helixtrans-67.3-42.1170.9-81.5175.8147.4-169.9-7.5112.4N465 E466 A467 L472 F473N465-R469 WeakPolarHBondContact O-CB 3.46Å; N465-R469 WeakPolarHBondContact O-CG 3.48Å; N465-R469 PolarHBondContact O-N 2.81Å; E466-R469 WeakPolarHBondContact O-CB 3.38Å; E466-R469 PolarHBondContact O-N 3.31Å; E466-R469 IonicContact OE2-NH1 2.69Å; A467-R469 VanDerWaalsContact C-N 3.3Å; A467-R469 PolarHBondContact O-N 3.49Å; R469-L472 PolarHBondContact O-N 3.15Å; R469-F473 PolarHBondContact O-N 3.41Å
470S88.2Confident89.9Confident72 Ų72114.8 Ų114.850%0.50355%0.545SS..Hα-helixtrans-62.6-46.2174.9-160.90000111.5E466 A467 L472 F473 D474E466-S470 PolarHBondContact O-N 3.01Å; A467-S470 WeakPolarHBondContact O-CB 3.49Å; A467-S470 PolarHBondContact O-N 3.18Å; S470-L472 VanDerWaalsContact C-N 3.32Å; S470-L472 PolarHBondContact O-N 3.11Å; S470-F473 PolarHBondContact O-N 3.41Å; S470-F473 VanDerWaalsContact O-N 3.16Å; S470-D474 PolarHBondContact O-N 3.45Å
471E89.6Confident89.7Confident92 Ų92112.9 Ų112.943%0.4355%0.548SS..Hα-helixtrans-58.2-41.9174.5-70.5173.9-156.800112.1A467 K468 D474 L475A467-E471 PolarHBondContact O-N 2.96Å; K468-E471 IonicContact NZ-OE1 3.98Å; K468-E471 PolarHBondContact NZ-OE1 3.06Å; K468-E471 IonicContact NZ-OE2 3.81Å; K468-E471 PolarHBondContact NZ-OE2 3.02Å; E471-D474 PolarHBondContact O-N 3.13Å; E471-L475 WeakPolarHBondContact O-CB 3.43Å; E471-L475 VanDerWaalsContact O-CG 3.29Å; E471-L475 WeakPolarHBondContact O-CG 3.39Å; E471-L475 PolarHBondContact O-N 2.91Å
472L89.1Confident89.4Confident99 Ų99114 Ų11452%0.51855%0.548SS..Hα-helixtrans-66.1-34.2176.4-91.9165.2000113.3K468 R469 S470 R476K468-L472 WeakPolarHBondContact O-CB 3.46Å; K468-L472 PolarHBondContact O-N 3.1Å; R469-L472 PolarHBondContact O-N 3.15Å; S470-L472 VanDerWaalsContact C-N 3.32Å; S470-L472 PolarHBondContact O-N 3.11Å; L472-R476 VanDerWaalsContact O-CG 3.32Å; L472-R476 WeakPolarHBondContact O-CG 3.27Å; L472-R476 PolarHBondContact O-N 3.42Å; L472-R476 VanDerWaalsContact O-N 3.12Å
473F88.2Confident89.2Confident143 Ų143107.5 Ų107.563%0.62753%0.531SS*.Hα-helixtrans-67.8-47.2175.9-176.9-94.5000111.2R469 S470 L475 R476 S477R469-F473 PolarHBondContact O-N 3.41Å; S470-F473 PolarHBondContact O-N 3.41Å; S470-F473 VanDerWaalsContact O-N 3.16Å; F473-L475 VanDerWaalsContact C-N 3.34Å; F473-L475 PolarHBondContact O-N 3.27Å; F473-R476 PolarHBondContact O-N 2.84Å; F473-S477 PolarHBondContact O-N 3.02Å
474D90Very high89.1Confident80 Ų80104.1 Ų104.143%0.42853%0.525SS..Hα-helixtrans-61.3-41176.4-75.9-7.9000112.2S470 E471 R476 S477 R478S470-D474 PolarHBondContact O-N 3.45Å; E471-D474 PolarHBondContact O-N 3.13Å; D474-R476 VanDerWaalsContact C-N 3.35Å; D474-R476 PolarHBondContact O-N 3.17Å; D474-S477 PolarHBondContact O-N 3.2Å; D474-R478 WeakPolarHBondContact O-CB 3.41Å; D474-R478 VanDerWaalsContact O-CG 3.29Å; D474-R478 WeakPolarHBondContact O-CG 3.44Å; D474-R478 PolarHBondContact O-N 2.9Å
475L86.9Confident88.7Confident109 Ų109105.1 Ų105.157%0.57153%0.527SS*.Hα-helixtrans-64-37.9176.1-75172.5000112.5E471 F473 F479E471-L475 WeakPolarHBondContact O-CB 3.43Å; E471-L475 VanDerWaalsContact O-CG 3.29Å; E471-L475 WeakPolarHBondContact O-CG 3.39Å; E471-L475 PolarHBondContact O-N 2.91Å; F473-L475 VanDerWaalsContact C-N 3.34Å; F473-L475 PolarHBondContact O-N 3.27Å; L475-F479 WeakPolarHBondContact O-CB 3.29Å; L475-F479 PolarHBondContact O-N 3.28Å
476R87.6Confident87.9Confident173 Ų173104.3 Ų104.365%0.65353%0.526SS*.Hα-helixtrans-65.8-48.8174-75173.6179.1-148-1.7111.6L472 F473 D474 R478 F479 D480L472-R476 VanDerWaalsContact O-CG 3.32Å; L472-R476 WeakPolarHBondContact O-CG 3.27Å; L472-R476 PolarHBondContact O-N 3.42Å; L472-R476 VanDerWaalsContact O-N 3.12Å; F473-R476 PolarHBondContact O-N 2.84Å; D474-R476 VanDerWaalsContact C-N 3.35Å; D474-R476 PolarHBondContact O-N 3.17Å; R476-R478 VanDerWaalsContact C-N 3.3Å; R476-R478 PolarHBondContact O-N 3.37Å; R476-F479 WeakPolarHBondContact O-CA 3.49Å; R476-F479 WeakPolarHBondContact O-CB 3.42Å; R476-F479 PolarHBondContact O-N 3.49Å; R476-D480 VanDerWaalsContact O-CG 3.29Å; R476-D480 PolarHBondContact O-N 2.89Å
477S90Very high87.7Confident69 Ų69103.7 Ų103.748%0.48353%0.526SS..Hα-helixtrans-56.2-43.1176.5-178.90000112.4F473 D474 D480 A481F473-S477 PolarHBondContact O-N 3.02Å; D474-S477 PolarHBondContact O-N 3.2Å; S477-D480 PolarHBondContact O-N 2.97Å; S477-A481 WeakPolarHBondContact O-CB 3.16Å; S477-A481 PolarHBondContact O-N 3.24Å
478R88.4Confident87.5Confident177 Ų177107.9 Ų107.967%0.66854%0.535SS*.Hα-helixtrans-66.8-36174.4-70.7174.4-175.5-161.31.5113.2D474 R476 K482D474-R478 WeakPolarHBondContact O-CB 3.41Å; D474-R478 VanDerWaalsContact O-CG 3.29Å; D474-R478 WeakPolarHBondContact O-CG 3.44Å; D474-R478 PolarHBondContact O-N 2.9Å; R476-R478 VanDerWaalsContact C-N 3.3Å; R476-R478 PolarHBondContact O-N 3.37Å; R478-K482 WeakPolarHBondContact O-CB 3.45Å; R478-K482 WeakPolarHBondContact O-CG 3.37Å; R478-K482 PolarHBondContact O-N 3.3Å
479F88.8Confident86.6Confident144 Ų144107.1 Ų107.163%0.63253%0.534SS*.Hα-helixtrans-66.5-46.6175.3179.7-92.9000111.3L475 R476 A481 K482 S483L475-F479 WeakPolarHBondContact O-CB 3.29Å; L475-F479 PolarHBondContact O-N 3.28Å; R476-F479 WeakPolarHBondContact O-CA 3.49Å; R476-F479 WeakPolarHBondContact O-CB 3.42Å; R476-F479 PolarHBondContact O-N 3.49Å; F479-A481 PolarHBondContact O-N 3.16Å; F479-K482 CarbonylContact O-C 3.57Å; F479-K482 PolarHBondContact O-N 2.89Å; F479-K482 VanDerWaalsContact O-N 3.11Å; F479-S483 PolarHBondContact O-N 3.16Å
480D89.8Confident86.2Confident100 Ų100101.6 Ų101.654%0.53552%0.522SS..Hα-helixtrans-62.1-44.1178.8-63.3-25.7000111.1R476 S477 K482 S483 A484R476-D480 VanDerWaalsContact O-CG 3.29Å; R476-D480 PolarHBondContact O-N 2.89Å; S477-D480 PolarHBondContact O-N 2.97Å; D480-K482 VanDerWaalsContact C-N 3.31Å; D480-K482 PolarHBondContact O-N 3.46Å; D480-S483 WeakPolarHBondContact O-CB 3.37Å; D480-S483 PolarHBondContact O-N 2.95Å; D480-A484 PolarHBondContact O-N 3.34Å
481A87Confident86Confident63 Ų63100.7 Ų100.752%0.52152%0.519SS..Hα-helixtrans-61-37.6173.600000112.7S477 F479 Q485S477-A481 WeakPolarHBondContact O-CB 3.16Å; S477-A481 PolarHBondContact O-N 3.24Å; F479-A481 PolarHBondContact O-N 3.16Å; A481-Q485 PolarHBondContact O-N 3.5Å; A481-Q485 VanDerWaalsContact O-N 3.14Å
482K85.4Confident85.5Confident128 Ų128101.1 Ų101.156%0.55752%0.521SS*.Hα-helixtrans-72-35.7175-77.9-73.2166.8-165.80112.7R478 F479 D480 Q485 V486R478-K482 WeakPolarHBondContact O-CB 3.45Å; R478-K482 WeakPolarHBondContact O-CG 3.37Å; R478-K482 PolarHBondContact O-N 3.3Å; F479-K482 CarbonylContact O-C 3.57Å; F479-K482 PolarHBondContact O-N 2.89Å; F479-K482 VanDerWaalsContact O-N 3.11Å; D480-K482 VanDerWaalsContact C-N 3.31Å; D480-K482 PolarHBondContact O-N 3.46Å; K482-Q485 PolarHBondContact O-N 2.94Å; K482-V486 WeakPolarHBondContact O-CG2 3.47Å; K482-V486 PolarHBondContact O-N 3.24Å
483S87.1Confident84.7Confident53 Ų53103.2 Ų103.237%0.37153%0.526SS..Hα-helixtrans-61.1-50.1173.3-163.60000110.5F479 D480 Q485 V486 D487F479-S483 PolarHBondContact O-N 3.16Å; D480-S483 WeakPolarHBondContact O-CB 3.37Å; D480-S483 PolarHBondContact O-N 2.95Å; S483-Q485 VanDerWaalsContact C-N 3.26Å; S483-Q485 PolarHBondContact O-N 3.01Å; S483-V486 WeakPolarHBondContact O-CA 3.47Å; S483-V486 WeakPolarHBondContact O-CB 3.2Å; S483-V486 PolarHBondContact O-N 2.92Å; S483-D487 PolarHBondContact O-N 3.48Å
484A86.9Confident84.5Confident61 Ų61101.8 Ų101.850%0.50452%0.519SS..Hα-helixtrans-59.7-34.6176.900000113D480 K488D480-A484 PolarHBondContact O-N 3.34Å; A484-K488 PolarHBondContact O-N 3.16Å
485Q84.5Confident84.1Confident94 Ų94102 Ų10244%0.43952%0.524SS..Hα-helixtrans-66-40.5173.1-170.3176.220.900112.1A481 K482 S483 K488 M489A481-Q485 PolarHBondContact O-N 3.5Å; A481-Q485 VanDerWaalsContact O-N 3.14Å; K482-Q485 PolarHBondContact O-N 2.94Å; S483-Q485 VanDerWaalsContact C-N 3.26Å; S483-Q485 PolarHBondContact O-N 3.01Å; Q485-K488 PolarHBondContact O-N 3.44Å; Q485-M489 HydrophobicContact CG-CE 4.39Å; Q485-M489 WeakPolarHBondContact O-CG 3.35Å; Q485-M489 PolarHBondContact O-N 3.35Å
486V75.2Confident83.6Confident85 Ų85103 Ų10352%0.51552%0.524SS..Hα-helixtrans-65.6-41.8175.8170.70000111.4K482 S483 K488 M489 S490K482-V486 WeakPolarHBondContact O-CG2 3.47Å; K482-V486 PolarHBondContact O-N 3.24Å; S483-V486 WeakPolarHBondContact O-CA 3.47Å; S483-V486 WeakPolarHBondContact O-CB 3.2Å; S483-V486 PolarHBondContact O-N 2.92Å; V486-K488 VanDerWaalsContact C-N 3.35Å; V486-K488 PolarHBondContact O-N 3.37Å; V486-M489 HydrophobicContact CG2-CE 4.04Å; V486-M489 PolarHBondContact O-N 2.93Å; V486-S490 WeakPolarHBondContact O-CB 3.47Å; V486-S490 PolarHBondContact O-N 3.47Å
487D87.3Confident82.9Confident103 Ų103100.1 Ų100.155%0.55152%0.517SS*.Hα-helixtrans-62.3-41.4176.5-68.3-41.5000112S483 S490 A491S483-D487 PolarHBondContact O-N 3.48Å; D487-S490 WeakPolarHBondContact O-CB 3.41Å; D487-S490 PolarHBondContact O-N 3.24Å; D487-A491 PolarHBondContact O-N 3.09Å
488K85.7Confident82.3Confident137 Ų137104.7 Ų104.760%0.59652%0.524SS*.Hα-helixtrans-60.7-48.6173.4-178.1176.8171.21800111.8A484 Q485 V486 S490 A491 E492A484-K488 PolarHBondContact O-N 3.16Å; Q485-K488 PolarHBondContact O-N 3.44Å; V486-K488 VanDerWaalsContact C-N 3.35Å; V486-K488 PolarHBondContact O-N 3.37Å; K488-S490 VanDerWaalsContact C-N 3.28Å; K488-S490 PolarHBondContact O-N 3.04Å; K488-A491 PolarHBondContact O-N 3.03Å; K488-E492 WeakPolarHBondContact CE-OE1 3.46Å; K488-E492 IonicContact NZ-OE1 2.75Å; K488-E492 WeakPolarHBondContact O-CG 3.5Å; K488-E492 PolarHBondContact O-N 3.4Å
489M75.1Confident82Confident98 Ų98100 Ų10048%0.48351%0.512SS..Hα-helixtrans-62-35.7177.1-69.3-175.2-6000112.2Q485 V486 E492 F493Q485-M489 HydrophobicContact CG-CE 4.39Å; Q485-M489 WeakPolarHBondContact O-CG 3.35Å; Q485-M489 PolarHBondContact O-N 3.35Å; V486-M489 HydrophobicContact CG2-CE 4.04Å; V486-M489 PolarHBondContact O-N 2.93Å; M489-E492 PolarHBondContact O-N 3.12Å; M489-F493 WeakPolarHBondContact O-CB 3.46Å; M489-F493 PolarHBondContact O-N 3.31Å
490S78.9Confident81Confident53 Ų5396.7 Ų96.737%0.37151%0.506SS..Hα-helixtrans-64.5-39.7175.2-174.40000112.4V486 D487 K488 K494V486-S490 WeakPolarHBondContact O-CB 3.47Å; V486-S490 PolarHBondContact O-N 3.47Å; D487-S490 WeakPolarHBondContact O-CB 3.41Å; D487-S490 PolarHBondContact O-N 3.24Å; K488-S490 VanDerWaalsContact C-N 3.28Å; K488-S490 PolarHBondContact O-N 3.04Å; S490-K494 WeakPolarHBondContact O-CG 3.43Å; S490-K494 PolarHBondContact O-N 3.46Å; S490-K494 VanDerWaalsContact O-N 3.16Å
491A83.9Confident80.1Confident54 Ų5495.3 Ų95.345%0.44650%0.504SS..Hα-helixtrans-67.5-42.8173.800000112.4D487 K488 K494 T495D487-A491 PolarHBondContact O-N 3.09Å; K488-A491 PolarHBondContact O-N 3.03Å; A491-K494 PolarHBondContact O-N 2.81Å; A491-T495 PolarHBondContact O-N 3.4Å; A491-T495 VanDerWaalsContact O-N 3.14Å; A491-T495 PolarHBondContact O-OG1 2.73Å
492E80.5Confident79.6Confident101 Ų10197.4 Ų97.447%0.47250%0.503SS..Hα-helixtrans-61.8-43.5175.2-72.4173.8-171.100111.6K488 M489 T495 K496K488-E492 WeakPolarHBondContact CE-OE1 3.46Å; K488-E492 IonicContact NZ-OE1 2.75Å; K488-E492 WeakPolarHBondContact O-CG 3.5Å; K488-E492 PolarHBondContact O-N 3.4Å; M489-E492 PolarHBondContact O-N 3.12Å; E492-T495 WeakPolarHBondContact O-CB 2.93Å; E492-T495 PolarHBondContact O-N 2.86Å; E492-T495 VanDerWaalsContact O-N 3.12Å; E492-K496 PolarHBondContact O-N 2.97Å
493F71.9Confident79.1Confident142 Ų14295.5 Ų95.562%0.62350%0.498SS*.Hα-helixtrans-59.4-49.6177.4-170.7-91000112.1M489 T495 K496 E497M489-F493 WeakPolarHBondContact O-CB 3.46Å; M489-F493 PolarHBondContact O-N 3.31Å; F493-T495 PolarHBondContact O-N 2.9Å; F493-K496 PolarHBondContact O-N 2.88Å; F493-K496 VanDerWaalsContact O-N 3.09Å; F493-E497 WeakPolarHBondContact O-CB 3.28Å; F493-E497 PolarHBondContact O-N 3.18Å
494K82.7Confident78.3Confident113 Ų11397.5 Ų97.549%0.49151%0.509SS..Hα-helixtrans-58.2-32.1174.8-72.9172.1-178.3173.40113S490 A491 R498S490-K494 WeakPolarHBondContact O-CG 3.43Å; S490-K494 PolarHBondContact O-N 3.46Å; S490-K494 VanDerWaalsContact O-N 3.16Å; A491-K494 PolarHBondContact O-N 2.81Å; K494-R498 WeakPolarHBondContact O-CG 3.49Å; K494-R498 PolarHBondContact O-N 3.1Å
495T81.9Confident78Confident86 Ų8698.5 Ų98.553%0.52851%0.508SS..Hα-helixtrans-73.2-40.3177.8-49.30000110.8A491 E492 F493 L499A491-T495 PolarHBondContact O-N 3.4Å; A491-T495 VanDerWaalsContact O-N 3.14Å; A491-T495 PolarHBondContact O-OG1 2.73Å; E492-T495 WeakPolarHBondContact O-CB 2.93Å; E492-T495 PolarHBondContact O-N 2.86Å; E492-T495 VanDerWaalsContact O-N 3.12Å; F493-T495 PolarHBondContact O-N 2.9Å; T495-L499 PolarHBondContact O-N 3.08Å
496K76.3Confident77.6Confident129 Ų12999.6 Ų99.656%0.56151%0.513SS*.Hα-helixtrans-68.2-35.9174.1-66.5-64-176.5-1770112.9E492 F493 L499 C500E492-K496 PolarHBondContact O-N 2.97Å; F493-K496 PolarHBondContact O-N 2.88Å; F493-K496 VanDerWaalsContact O-N 3.09Å; K496-L499 PolarHBondContact O-N 2.94Å; K496-C500 PolarHBondContact O-N 2.91Å; K496-C500 PolarHBondContact O-SG 2.87Å
497E73.5Confident76.9Confident112 Ų112100.1 Ų100.152%0.52351%0.513SS..Hα-helixtrans-62-42.5176.8-174.1175.7-148.700112.5F493 C500 S501F493-E497 WeakPolarHBondContact O-CB 3.28Å; F493-E497 PolarHBondContact O-N 3.18Å; E497-C500 PolarHBondContact O-N 3.34Å; E497-S501 PolarHBondContact O-N 3.44Å; E497-S501 VanDerWaalsContact O-N 3.11Å; E497-S501 PolarHBondContact O-OG 3.13Å
498R77.3Confident76.1Confident166 Ų16699 Ų9963%0.62651%0.513SS*.Hα-helixtrans-61.5-49.1172-69.8175.2-172.41561.3111.9K494 C500 S501 E502K494-R498 WeakPolarHBondContact O-CG 3.49Å; K494-R498 PolarHBondContact O-N 3.1Å; R498-C500 VanDerWaalsContact C-N 3.28Å; R498-C500 PolarHBondContact O-N 3.09Å; R498-S501 WeakPolarHBondContact O-CA 3.26Å; R498-S501 VanDerWaalsContact O-CB 3.32Å; R498-S501 WeakPolarHBondContact O-CB 3.22Å; R498-S501 PolarHBondContact O-N 2.64Å; R498-E502 PolarHBondContact O-N 3.02Å
499L81.6Confident75.6Confident79 Ų7997.3 Ų97.341%0.41451%0.511SS..Hα-helixtrans-59.3-38.8178.5-173.169.2000112T495 K496 S501 E502 L503T495-L499 PolarHBondContact O-N 3.08Å; K496-L499 PolarHBondContact O-N 2.94Å; L499-S501 VanDerWaalsContact C-N 3.32Å; L499-S501 PolarHBondContact O-N 3.44Å; L499-E502 PolarHBondContact O-N 3.37Å; L499-L503 HydrophobicContact CG-CD1 4.17Å; L499-L503 WeakPolarHBondContact O-CB 3.3Å; L499-L503 VanDerWaalsContact O-CG 3.29Å; L499-L503 WeakPolarHBondContact O-CG 3.31Å; L499-L503 PolarHBondContact O-N 3.42Å
500C68Low75.5Confident74 Ų7496.1 Ų96.150%0.551%0.509SS..Hα-helixtrans-64.1-37.1174.3-66.50000112.1K496 E497 R498 T504K496-C500 PolarHBondContact O-N 2.91Å; K496-C500 PolarHBondContact O-SG 2.87Å; E497-C500 PolarHBondContact O-N 3.34Å; R498-C500 VanDerWaalsContact C-N 3.28Å; R498-C500 PolarHBondContact O-N 3.09Å; C500-T504 VanDerWaalsContact O-CB 3.31Å; C500-T504 WeakPolarHBondContact O-CB 3.32Å; C500-T504 PolarHBondContact O-N 2.79Å; C500-T504 PolarHBondContact O-OG1 2.98Å
501S70.9Confident74.8Confident70 Ų7099 Ų9949%0.4951%0.512SS..Hα-helixtrans-68.1-41.9177.2-54.30000111.9E497 R498 L499 T504 T505E497-S501 PolarHBondContact O-N 3.44Å; E497-S501 VanDerWaalsContact O-N 3.11Å; E497-S501 PolarHBondContact O-OG 3.13Å; R498-S501 WeakPolarHBondContact O-CA 3.26Å; R498-S501 VanDerWaalsContact O-CB 3.32Å; R498-S501 WeakPolarHBondContact O-CB 3.22Å; R498-S501 PolarHBondContact O-N 2.64Å; L499-S501 VanDerWaalsContact C-N 3.32Å; L499-S501 PolarHBondContact O-N 3.44Å; S501-T504 PolarHBondContact O-N 3.29Å; S501-T505 PolarHBondContact O-N 3.03Å; S501-T505 PolarHBondContact O-OG1 3.31Å
502E78.1Confident74.3Confident108 Ų10897.9 Ų97.951%0.50551%0.505SS..Hα-helixtrans-62.4-49.9174.3-70.6167-164.400111.5R498 L499 T504 T505 Q506R498-E502 PolarHBondContact O-N 3.02Å; L499-E502 PolarHBondContact O-N 3.37Å; E502-T504 VanDerWaalsContact C-N 3.33Å; E502-T504 PolarHBondContact O-N 3.41Å; E502-T505 WeakPolarHBondContact O-CB 3.47Å; E502-T505 PolarHBondContact O-N 2.88Å; E502-T505 VanDerWaalsContact O-N 3.15Å; E502-Q506 WeakPolarHBondContact O-CG 3.01Å; E502-Q506 PolarHBondContact O-N 3.37Å
503L73.3Confident73.9Confident88 Ų8899.2 Ų99.246%0.46151%0.511SS..Hα-helixtrans-61.4-39.1177.1-72.4171.2000112.3L499 T505 Q506 L507L499-L503 HydrophobicContact CG-CD1 4.17Å; L499-L503 WeakPolarHBondContact O-CB 3.3Å; L499-L503 VanDerWaalsContact O-CG 3.29Å; L499-L503 WeakPolarHBondContact O-CG 3.31Å; L499-L503 PolarHBondContact O-N 3.42Å; L503-T505 VanDerWaalsContact C-N 3.32Å; L503-T505 PolarHBondContact O-N 3.07Å; L503-Q506 PolarHBondContact O-N 2.89Å; L503-L507 WeakPolarHBondContact O-CB 3.39Å; L503-L507 PolarHBondContact O-N 3.42Å
504T70Confident73.3Confident95 Ų9597.5 Ų97.558%0.58351%0.508SS*.Hα-helixtrans-62.8-40.4175.3-59.20000111.3C500 S501 E502 L507 S508C500-T504 VanDerWaalsContact O-CB 3.31Å; C500-T504 WeakPolarHBondContact O-CB 3.32Å; C500-T504 PolarHBondContact O-N 2.79Å; C500-T504 PolarHBondContact O-OG1 2.98Å; S501-T504 PolarHBondContact O-N 3.29Å; E502-T504 VanDerWaalsContact C-N 3.33Å; E502-T504 PolarHBondContact O-N 3.41Å; T504-L507 PolarHBondContact O-N 3.49Å; T504-S508 PolarHBondContact O-N 2.93Å
505T80.9Confident72.8Confident81 Ų8197 Ų9750%0.49751%0.508SS..Hα-helixtrans-66.4-43176.9-530000111.3S501 E502 L503 L507 S508 N509S501-T505 PolarHBondContact O-N 3.03Å; S501-T505 PolarHBondContact O-OG1 3.31Å; E502-T505 WeakPolarHBondContact O-CB 3.47Å; E502-T505 PolarHBondContact O-N 2.88Å; E502-T505 VanDerWaalsContact O-N 3.15Å; L503-T505 VanDerWaalsContact C-N 3.32Å; L503-T505 PolarHBondContact O-N 3.07Å; T505-L507 VanDerWaalsContact C-N 3.35Å; T505-L507 PolarHBondContact O-N 2.69Å; T505-S508 PolarHBondContact O-N 3.04Å; T505-N509 PolarHBondContact O-N 3.41Å
506Q76.1Confident72.3Confident117 Ų11797 Ų9755%0.54751%0.505SS..Hα-helixtrans-60.7-42.8174.1-69.4177.710.400111.7E502 L503 S508 N509 T510E502-Q506 WeakPolarHBondContact O-CG 3.01Å; E502-Q506 PolarHBondContact O-N 3.37Å; L503-Q506 PolarHBondContact O-N 2.89Å; Q506-S508 VanDerWaalsContact C-N 3.33Å; Q506-S508 PolarHBondContact O-N 3.15Å; Q506-N509 PolarHBondContact O-N 2.82Å; Q506-T510 WeakPolarHBondContact O-CG2 3.4Å; Q506-T510 PolarHBondContact O-N 3.06Å; Q506-T510 PolarHBondContact O-OG1 3.06Å
507L60.1Low72Confident96 Ų9694.1 Ų94.150%0.50350%0.498SS..Hα-helixtrans-61.6-37.3175.2-112.5166.6000113L503 T504 T505 T510 R511L503-L507 WeakPolarHBondContact O-CB 3.39Å; L503-L507 PolarHBondContact O-N 3.42Å; T504-L507 PolarHBondContact O-N 3.49Å; T505-L507 VanDerWaalsContact C-N 3.35Å; T505-L507 PolarHBondContact O-N 2.69Å; L507-T510 PolarHBondContact O-OG1 2.88Å; L507-R511 WeakPolarHBondContact O-CG 3.41Å; L507-R511 PolarHBondContact O-N 3.42Å
508S71.3Confident71.8Confident80 Ų8093 Ų9356%0.55950%0.495SS*.Hα-helixtrans-67.3-41.5175.1-165.10000111.7T504 T505 Q506 R511 G512T504-S508 PolarHBondContact O-N 2.93Å; T505-S508 PolarHBondContact O-N 3.04Å; Q506-S508 VanDerWaalsContact C-N 3.33Å; Q506-S508 PolarHBondContact O-N 3.15Å; S508-R511 PolarHBondContact O-N 3.46Å; S508-G512 PolarHBondContact O-N 3.47Å; S508-G512 VanDerWaalsContact O-N 3.14Å
509N75.3Confident71.5Confident101 Ų10191 Ų9154%0.5449%0.49SS..Hα-helixtrans-67.7-42.8179.5-70.4-16.6000112.1T505 Q506 R511 G512 Q513T505-N509 PolarHBondContact O-N 3.41Å; Q506-N509 PolarHBondContact O-N 2.82Å; N509-R511 VanDerWaalsContact C-N 3.34Å; N509-R511 PolarHBondContact O-N 3.43Å; N509-G512 PolarHBondContact O-N 2.95Å; N509-Q513 WeakPolarHBondContact O-CG 3.44Å; N509-Q513 PolarHBondContact O-N 2.79Å
510T73.4Confident71.1Confident73 Ų7393.1 Ų93.145%0.44850%0.498SS..Hα-helixtrans-67.9-32.4178.153.10000112.6Q506 L507 Q513 L514Q506-T510 WeakPolarHBondContact O-CG2 3.4Å; Q506-T510 PolarHBondContact O-N 3.06Å; Q506-T510 PolarHBondContact O-OG1 3.06Å; L507-T510 PolarHBondContact O-OG1 2.88Å; T510-Q513 PolarHBondContact O-N 3.04Å; T510-L514 WeakPolarHBondContact O-CB 3.4Å; T510-L514 PolarHBondContact O-N 2.81Å
511R64.8Low70.2Confident114 Ų11494.8 Ų94.843%0.4350%0.502SS..Hα-helixtrans-62.3-48.6169.2-77.4177.8-178.6174.92.9112.4L507 S508 N509 Q513 L514 E515L507-R511 WeakPolarHBondContact O-CG 3.41Å; L507-R511 PolarHBondContact O-N 3.42Å; S508-R511 PolarHBondContact O-N 3.46Å; N509-R511 VanDerWaalsContact C-N 3.34Å; N509-R511 PolarHBondContact O-N 3.43Å; R511-Q513 VanDerWaalsContact C-N 3.27Å; R511-Q513 PolarHBondContact O-N 3.24Å; R511-L514 WeakPolarHBondContact O-CB 3.48Å; R511-L514 PolarHBondContact O-N 3.16Å; R511-L514 VanDerWaalsContact O-N 3.11Å; R511-E515 PolarHBondContact O-N 3.25Å
512G72.6Confident70.2Confident30 Ų3095.1 Ų95.131%0.30950%0.495SS..Hα-helixtrans-61-34.6177.500000113.3S508 N509 N516S508-G512 PolarHBondContact O-N 3.47Å; S508-G512 VanDerWaalsContact O-N 3.14Å; N509-G512 PolarHBondContact O-N 2.95Å; G512-N516 PolarHBondContact O-N 3.1Å; G512-N516 PolarHBondContact O-ND2 2.82Å
513Q72.6Confident69.5Low129 Ų12993 Ų9360%0.60349%0.493SS*.Hα-helixtrans-65.2-48.2171.5-72.9174.3-20.800111.7N509 T510 R511 E515 N516 T517N509-Q513 WeakPolarHBondContact O-CG 3.44Å; N509-Q513 PolarHBondContact O-N 2.79Å; T510-Q513 PolarHBondContact O-N 3.04Å; R511-Q513 VanDerWaalsContact C-N 3.27Å; R511-Q513 PolarHBondContact O-N 3.24Å; Q513-E515 PolarHBondContact O-N 3.42Å; Q513-N516 PolarHBondContact O-N 3.38Å; Q513-N516 VanDerWaalsContact O-N 3.13Å; Q513-T517 PolarHBondContact O-N 3.35Å; Q513-T517 PolarHBondContact O-OG1 3.17Å
514L57.9Low68.7Low107 Ų10792.3 Ų92.356%0.5649%0.492SS*.Hα-helixtrans-60-42.7179-176.363.9000112.4T510 R511 N516 T517 I518T510-L514 WeakPolarHBondContact O-CB 3.4Å; T510-L514 PolarHBondContact O-N 2.81Å; R511-L514 WeakPolarHBondContact O-CB 3.48Å; R511-L514 PolarHBondContact O-N 3.16Å; R511-L514 VanDerWaalsContact O-N 3.11Å; L514-N516 VanDerWaalsContact C-N 3.28Å; L514-N516 PolarHBondContact O-N 3.35Å; L514-T517 PolarHBondContact O-N 3.04Å; L514-I518 HydrophobicContact CD1-CD1 4.49Å; L514-I518 HydrophobicContact CG-CD1 4.09Å; L514-I518 VanDerWaalsContact O-CG1 3.3Å; L514-I518 WeakPolarHBondContact O-CG1 3.41Å; L514-I518 PolarHBondContact O-N 3.03Å
515E73.8Confident68.3Low103 Ų10395.2 Ų95.248%0.48149%0.492SS..Hα-helixtrans-60.2-34.9175.2-75.2177.2-148.400113.2R511 Q513 K519R511-E515 PolarHBondContact O-N 3.25Å; Q513-E515 PolarHBondContact O-N 3.42Å; E515-K519 WeakPolarHBondContact O-CD 3.47Å; E515-K519 WeakPolarHBondContact O-CG 3.28Å; E515-K519 PolarHBondContact O-N 3.06Å
516N71.3Confident67.4Low86 Ų8694 Ų9446%0.4649%0.486SS..Hα-helixtrans-72.6-45.3176.8-70.6-21.9000111.3G512 Q513 L514 I518 K519 E520G512-N516 PolarHBondContact O-N 3.1Å; G512-N516 PolarHBondContact O-ND2 2.82Å; Q513-N516 PolarHBondContact O-N 3.38Å; Q513-N516 VanDerWaalsContact O-N 3.13Å; L514-N516 VanDerWaalsContact C-N 3.28Å; L514-N516 PolarHBondContact O-N 3.35Å; N516-I518 VanDerWaalsContact C-N 3.27Å; N516-I518 PolarHBondContact O-N 2.99Å; N516-K519 WeakPolarHBondContact O-CB 3.27Å; N516-K519 PolarHBondContact O-N 3.29Å; N516-E520 WeakPolarHBondContact O-CG 3.48Å; N516-E520 PolarHBondContact O-N 3.11Å
517T69.6Low66.5Low68 Ų6894.6 Ų94.642%0.41748%0.484SS..Hα-helixtrans-60.5-35.8175.6-52.60000112.2Q513 L514 E520 L521Q513-T517 PolarHBondContact O-N 3.35Å; Q513-T517 PolarHBondContact O-OG1 3.17Å; L514-T517 PolarHBondContact O-N 3.04Å; T517-E520 PolarHBondContact O-N 3.13Å; T517-L521 HydrophobicContact CG2-CD1 4.28Å; T517-L521 WeakPolarHBondContact O-CB 3.32Å; T517-L521 WeakPolarHBondContact O-CG 3.47Å; T517-L521 PolarHBondContact O-N 3.38Å
518I68.5Low66Low89 Ų8993.1 Ų93.146%0.45649%0.485SS..Hα-helixtrans-62.3-42.6173.7-71.3165.9000111.4L514 N516 L521 E522L514-I518 HydrophobicContact CD1-CD1 4.49Å; L514-I518 HydrophobicContact CG-CD1 4.09Å; L514-I518 VanDerWaalsContact O-CG1 3.3Å; L514-I518 WeakPolarHBondContact O-CG1 3.41Å; L514-I518 PolarHBondContact O-N 3.03Å; N516-I518 VanDerWaalsContact C-N 3.27Å; N516-I518 PolarHBondContact O-N 2.99Å; I518-L521 PolarHBondContact O-N 2.93Å; I518-E522 WeakPolarHBondContact O-CB 3.43Å; I518-E522 PolarHBondContact O-N 3.33Å
519K72.3Confident65.3Low122 Ų12294.3 Ų94.353%0.5349%0.489SS..Hα-helixtrans-65.9-37.5176.7-67162.3-166.7157.30112E515 N516 E522 S523E515-K519 WeakPolarHBondContact O-CD 3.47Å; E515-K519 WeakPolarHBondContact O-CG 3.28Å; E515-K519 PolarHBondContact O-N 3.06Å; N516-K519 WeakPolarHBondContact O-CB 3.27Å; N516-K519 PolarHBondContact O-N 3.29Å; K519-E522 PolarHBondContact O-N 3.06Å; K519-S523 PolarHBondContact O-N 2.82Å
520E71.6Confident64.6Low124 Ų12497.8 Ų97.858%0.57949%0.494SS*.Hα-helixtrans-65.7-45.7175.8-70.6168.1168.300111.5N516 T517 E522 S523 V524N516-E520 WeakPolarHBondContact O-CG 3.48Å; N516-E520 PolarHBondContact O-N 3.11Å; T517-E520 PolarHBondContact O-N 3.13Å; E520-E522 VanDerWaalsContact C-N 3.33Å; E520-E522 PolarHBondContact O-N 2.9Å; E520-S523 WeakPolarHBondContact O-CB 3.46Å; E520-S523 PolarHBondContact O-N 2.7Å; E520-V524 WeakPolarHBondContact O-CG2 3.48Å; E520-V524 PolarHBondContact O-N 3.11Å
521L50.8Low63.8Low110 Ų11095.7 Ų95.758%0.57649%0.488SS*.Hα-helixtrans-61.3-39.2174.4-73171000112.4T517 I518 V524 R525T517-L521 HydrophobicContact CG2-CD1 4.28Å; T517-L521 WeakPolarHBondContact O-CB 3.32Å; T517-L521 WeakPolarHBondContact O-CG 3.47Å; T517-L521 PolarHBondContact O-N 3.38Å; I518-L521 PolarHBondContact O-N 2.93Å; L521-V524 PolarHBondContact O-N 3.02Å; L521-R525 WeakPolarHBondContact O-CB 3.34Å; L521-R525 PolarHBondContact O-N 2.86Å
522E70.4Confident63.3Low76 Ų7691.9 Ų91.936%0.35548%0.484SS..Hα-helixtrans-66.4-37.1176.3-170.654.4-128.300111.9I518 K519 E520 R525 C526I518-E522 WeakPolarHBondContact O-CB 3.43Å; I518-E522 PolarHBondContact O-N 3.33Å; K519-E522 PolarHBondContact O-N 3.06Å; E520-E522 VanDerWaalsContact C-N 3.33Å; E520-E522 PolarHBondContact O-N 2.9Å; E522-R525 VanDerWaalsContact CD-NH2 3.29Å; E522-R525 WeakPolarHBondContact O-CB 3.43Å; E522-R525 PolarHBondContact O-N 3.49Å; E522-R525 IonicContact OE1-CZ 2.6Å; E522-R525 IonicContact OE1-NE 3.67Å; E522-R525 PolarHBondContact OE1-NE 2.73Å; E522-R525 IonicContact OE1-NH2 3.36Å; E522-R525 PolarHBondContact OE1-NH2 3.49Å; E522-R525 IonicContact OE2-CZ 3.47Å; E522-R525 IonicContact OE2-NE 2.65Å; E522-R525 PolarHBondContact OE2-NE 3.05Å; E522-R525 VanDerWaalsContact OE2-NE 3.15Å; E522-R525 IonicContact OE2-NH2 2.67Å; E522-R525 PolarHBondContact OE2-NH2 2.72Å; E522-C526 PolarHBondContact O-N 3.08Å; E522-C526 PolarHBondContact O-SG 2.87Å
523S63.1Low62.8Low65 Ų6593.3 Ų93.346%0.45549%0.492SS..Hα-helixtrans-63.8-43.6171.1179.90000112.3K519 E520 C526 R527K519-S523 PolarHBondContact O-N 2.82Å; E520-S523 WeakPolarHBondContact O-CB 3.46Å; E520-S523 PolarHBondContact O-N 2.7Å; S523-C526 PolarHBondContact O-N 3.19Å; S523-R527 PolarHBondContact O-N 3.31Å
524V55.4Low62.5Low73 Ų7392.8 Ų92.844%0.44249%0.49SS..Hα-helixtrans-61.5-44.2173.6171.90000111.1E520 L521 C526 R527 A528E520-V524 WeakPolarHBondContact O-CG2 3.48Å; E520-V524 PolarHBondContact O-N 3.11Å; L521-V524 PolarHBondContact O-N 3.02Å; V524-C526 VanDerWaalsContact C-N 3.34Å; V524-C526 PolarHBondContact O-N 2.92Å; V524-R527 PolarHBondContact O-N 3.26Å; V524-R527 VanDerWaalsContact O-N 3.14Å; V524-A528 PolarHBondContact O-N 3.15Å
525R62.7Low62.7Low155 Ų15592.4 Ų92.459%0.58549%0.492SS*.Hα-helixtrans-57.5-45.8175.5-170.217778.8142.70.6111.5L521 E522 R527 A528 V529L521-R525 WeakPolarHBondContact O-CB 3.34Å; L521-R525 PolarHBondContact O-N 2.86Å; E522-R525 VanDerWaalsContact CD-NH2 3.29Å; E522-R525 WeakPolarHBondContact O-CB 3.43Å; E522-R525 PolarHBondContact O-N 3.49Å; E522-R525 IonicContact OE1-CZ 2.6Å; E522-R525 IonicContact OE1-NE 3.67Å; E522-R525 PolarHBondContact OE1-NE 2.73Å; E522-R525 IonicContact OE1-NH2 3.36Å; E522-R525 PolarHBondContact OE1-NH2 3.49Å; E522-R525 IonicContact OE2-CZ 3.47Å; E522-R525 IonicContact OE2-NE 2.65Å; E522-R525 PolarHBondContact OE2-NE 3.05Å; E522-R525 VanDerWaalsContact OE2-NE 3.15Å; E522-R525 IonicContact OE2-NH2 2.67Å; E522-R525 PolarHBondContact OE2-NH2 2.72Å; R525-R527 PolarHBondContact O-N 3.21Å; R525-A528 PolarHBondContact O-N 3.41Å; R525-V529 WeakPolarHBondContact O-CG2 3.32Å; R525-V529 PolarHBondContact O-N 3.32Å
526C61.8Low62.4Low55 Ų5594.5 Ų94.537%0.37250%0.502SS..Hα-helixtrans-62.7-38.3175.9-70.70000112.9E522 S523 V524 R530E522-C526 PolarHBondContact O-N 3.08Å; E522-C526 PolarHBondContact O-SG 2.87Å; S523-C526 PolarHBondContact O-N 3.19Å; V524-C526 VanDerWaalsContact C-N 3.34Å; V524-C526 PolarHBondContact O-N 2.92Å; C526-R530 WeakPolarHBondContact O-CG 3.45Å; C526-R530 PolarHBondContact O-N 3.11Å
527R56.8Low62.5Low131 Ų13198.3 Ų98.349%0.49451%0.509SS..Hα-helixtrans-65.7-44.2173.7-73.4-166.7-75.1162.1-2.6111.8S523 V524 R525 V529 R530 G531 E674S523-R527 PolarHBondContact O-N 3.31Å; V524-R527 PolarHBondContact O-N 3.26Å; V524-R527 VanDerWaalsContact O-N 3.14Å; R525-R527 PolarHBondContact O-N 3.21Å; R527-V529 PolarHBondContact O-N 3.32Å; R527-R530 PolarHBondContact O-N 2.96Å; R527-G531 PolarHBondContact O-N 2.87Å; R527-E674 IonicContact NH1-OE2 3.02Å; R527-E674 PolarHBondContact NH1-OE2 3.48Å; R527-E674 VanDerWaalsContact NH1-OE2 3.14Å
528A49.3Very low62.9Low65 Ų65102.5 Ų102.554%0.53752%0.518SS..Hα-helixtrans-62.6-41.2179.300000112.8V524 R525 R530 G531 G532V524-A528 PolarHBondContact O-N 3.15Å; R525-A528 PolarHBondContact O-N 3.41Å; A528-R530 PolarHBondContact O-N 2.99Å; A528-G531 PolarHBondContact O-N 2.92Å; A528-G532 PolarHBondContact O-N 2.89Å
529V58.2Low63.2Low104 Ų104104.2 Ų104.263%0.6352%0.524SS*.Hα-helixtrans-62.5-41175.61710000111.8R525 R527 G532 A533R525-V529 WeakPolarHBondContact O-CG2 3.32Å; R525-V529 PolarHBondContact O-N 3.32Å; R527-V529 PolarHBondContact O-N 3.32Å; V529-G532 PolarHBondContact O-N 3.27Å; V529-A533 PolarHBondContact O-N 3.1Å; V529-A533 VanDerWaalsContact O-N 3.15Å
530R59.8Low63.5Low174 Ų174102 Ų10266%0.65752%0.524SS*.Hα-helixtrans-65.1-46.2175.4-67.2176.1-160.9-160.24111.7C526 R527 A528 G532 A533 E534C526-R530 WeakPolarHBondContact O-CG 3.45Å; C526-R530 PolarHBondContact O-N 3.11Å; R527-R530 PolarHBondContact O-N 2.96Å; A528-R530 PolarHBondContact O-N 2.99Å; R530-G532 VanDerWaalsContact C-N 3.3Å; R530-G532 PolarHBondContact O-N 3.05Å; R530-A533 PolarHBondContact O-N 3.35Å; R530-E534 PolarHBondContact O-N 3.5Å
531G57Low64.1Low30 Ų3099.3 Ų99.331%0.30951%0.513SS..Hα-helixtrans-60-38.2176.800000113.1R527 A528 E534 V535R527-G531 PolarHBondContact O-N 2.87Å; A528-G531 PolarHBondContact O-N 2.92Å; G531-E534 PolarHBondContact O-N 3.09Å; G531-V535 VanDerWaalsContact O-CG2 3.32Å; G531-V535 WeakPolarHBondContact O-CG2 3.2Å; G531-V535 PolarHBondContact O-N 3Å
532G54.2Low65.4Low34 Ų3498.2 Ų98.235%0.35151%0.508SS..Hα-helixtrans-61.9-48.7173.500000112.8A528 V529 R530 E534 V535 E536A528-G532 PolarHBondContact O-N 2.89Å; V529-G532 PolarHBondContact O-N 3.27Å; R530-G532 VanDerWaalsContact C-N 3.3Å; R530-G532 PolarHBondContact O-N 3.05Å; G532-E534 VanDerWaalsContact C-N 3.31Å; G532-E534 PolarHBondContact O-N 3.11Å; G532-V535 PolarHBondContact O-N 2.95Å; G532-E536 PolarHBondContact O-N 2.94Å
533A61.9Low66Low59 Ų5997.9 Ų97.949%0.48851%0.511SS..Hα-helixtrans-64-34.9177.400000112.8V529 R530 R537V529-A533 PolarHBondContact O-N 3.1Å; V529-A533 VanDerWaalsContact O-N 3.15Å; R530-A533 PolarHBondContact O-N 3.35Å; A533-R537 PolarHBondContact O-N 3.39Å
534E65.8Low67Low119 Ų11997.9 Ų97.956%0.55651%0.511SS*.Hα-helixtrans-62.8-50.8170.2-75.7173.5-166.100110.8R530 G531 G532 E536 R537 W538R530-E534 PolarHBondContact O-N 3.5Å; G531-E534 PolarHBondContact O-N 3.09Å; G532-E534 VanDerWaalsContact C-N 3.31Å; G532-E534 PolarHBondContact O-N 3.11Å; E534-E536 VanDerWaalsContact C-N 3.32Å; E534-E536 PolarHBondContact O-N 2.76Å; E534-R537 WeakPolarHBondContact O-CA 3.3Å; E534-R537 WeakPolarHBondContact O-CB 3.37Å; E534-R537 PolarHBondContact O-N 2.99Å; E534-W538 PolarHBondContact O-N 3.29Å
535V62.6Low68.3Low99 Ų9999.7 Ų99.760%0.652%0.517SS*.Hα-helixtrans-58.2-40.4179.8168.90000112.4G531 G532 R537 W538 H539G531-V535 VanDerWaalsContact O-CG2 3.32Å; G531-V535 WeakPolarHBondContact O-CG2 3.2Å; G531-V535 PolarHBondContact O-N 3Å; G532-V535 PolarHBondContact O-N 2.95Å; V535-R537 VanDerWaalsContact C-N 3.33Å; V535-R537 PolarHBondContact O-N 3.29Å; V535-W538 PolarHBondContact O-N 3.32Å; V535-H539 WeakPolarHBondContact O-CB 3.45Å; V535-H539 PolarHBondContact O-N 3.4Å
536E68.2Low69.3Low147 Ų14797.1 Ų97.169%0.68751%0.512SS*.Hα-helixtrans-61.3-40.9173.7-72.6-176.7169.200112.1G532 E534 H539 S540G532-E536 PolarHBondContact O-N 2.94Å; E534-E536 VanDerWaalsContact C-N 3.32Å; E534-E536 PolarHBondContact O-N 2.76Å; E536-H539 PolarHBondContact O-N 2.87Å; E536-S540 PolarHBondContact O-N 2.91Å
537R73.6Confident70.4Confident165 Ų16598.5 Ų98.562%0.62352%0.519SS*.Hα-helixtrans-64.2-47.3174.7-175.7175177.6-90.3-9.9111.9A533 E534 V535 H539 S540 D541A533-R537 PolarHBondContact O-N 3.39Å; E534-R537 WeakPolarHBondContact O-CA 3.3Å; E534-R537 WeakPolarHBondContact O-CB 3.37Å; E534-R537 PolarHBondContact O-N 2.99Å; V535-R537 VanDerWaalsContact C-N 3.33Å; V535-R537 PolarHBondContact O-N 3.29Å; R537-H539 VanDerWaalsContact C-N 3.25Å; R537-H539 PolarHBondContact O-N 3.02Å; R537-S540 WeakPolarHBondContact O-CB 3.47Å; R537-S540 PolarHBondContact O-N 2.89Å; R537-D541 IonicContact CZ-OD2 2.7Å; R537-D541 PolarHBondContact O-N 2.9Å
538W77.6Confident71.9Confident156 Ų15695.5 Ų95.559%0.59152%0.515SS*.Hα-helixtrans-58.1-37174.2-7798.9000112.1E534 V535 D541 L542E534-W538 PolarHBondContact O-N 3.29Å; V535-W538 PolarHBondContact O-N 3.32Å; W538-D541 PolarHBondContact O-N 3.43Å; W538-L542 VanDerWaalsContact O-CB 3.3Å; W538-L542 WeakPolarHBondContact O-CB 3.48Å; W538-L542 PolarHBondContact O-N 3.36Å
539H73.3Confident73.4Confident125 Ų12597.2 Ų97.258%0.57952%0.515SS*.Hα-helixtrans-69.4-39.1177.1-16776.3000112.6V535 E536 R537 T543V535-H539 WeakPolarHBondContact O-CB 3.45Å; V535-H539 PolarHBondContact O-N 3.4Å; E536-H539 PolarHBondContact O-N 2.87Å; R537-H539 VanDerWaalsContact C-N 3.25Å; R537-H539 PolarHBondContact O-N 3.02Å; H539-T543 WeakPolarHBondContact O-CB 3.41Å; H539-T543 PolarHBondContact O-N 2.88Å; H539-T543 PolarHBondContact O-OG1 3.21Å
540S79.4Confident74.8Confident76 Ų7699.5 Ų99.553%0.53152%0.517SS..Hα-helixtrans-62.1-47.4171.3179.20000111.6E536 R537 L542 T543 S544E536-S540 PolarHBondContact O-N 2.91Å; R537-S540 WeakPolarHBondContact O-CB 3.47Å; R537-S540 PolarHBondContact O-N 2.89Å; S540-L542 PolarHBondContact O-N 3.45Å; S540-T543 PolarHBondContact O-N 3.34Å; S540-S544 PolarHBondContact O-N 2.88Å
541D83.7Confident76Confident67 Ų6797.5 Ų97.536%0.35851%0.513SS..Hα-helixtrans-63.2-43.1179.3-68.8-21.6000111.2R537 W538 T543 S544 L545R537-D541 IonicContact CZ-OD2 2.7Å; R537-D541 PolarHBondContact O-N 2.9Å; W538-D541 PolarHBondContact O-N 3.43Å; D541-T543 PolarHBondContact O-N 2.92Å; D541-S544 WeakPolarHBondContact O-CB 3.36Å; D541-S544 PolarHBondContact O-N 3.33Å; D541-L545 WeakPolarHBondContact O-CG 3.49Å; D541-L545 PolarHBondContact O-N 2.97Å
542L78.3Confident77.4Confident88 Ų88100.6 Ų100.646%0.46152%0.522SS..Hα-helixtrans-60.3-43.2173.7-18063.9000112.1W538 S540 L545 Q546W538-L542 VanDerWaalsContact O-CB 3.3Å; W538-L542 WeakPolarHBondContact O-CB 3.48Å; W538-L542 PolarHBondContact O-N 3.36Å; S540-L542 PolarHBondContact O-N 3.45Å; L542-L545 PolarHBondContact O-N 3.12Å; L542-Q546 WeakPolarHBondContact O-CG 3.29Å; L542-Q546 PolarHBondContact O-N 2.77Å
543T84.3Confident78.9Confident68 Ų68102 Ų10242%0.41753%0.527SS..Hα-helixtrans-62.4-45.8177.5-57.60000110.7H539 S540 D541 L545 Q546 T547H539-T543 WeakPolarHBondContact O-CB 3.41Å; H539-T543 PolarHBondContact O-N 2.88Å; H539-T543 PolarHBondContact O-OG1 3.21Å; S540-T543 PolarHBondContact O-N 3.34Å; D541-T543 PolarHBondContact O-N 2.92Å; T543-L545 PolarHBondContact O-N 3.47Å; T543-Q546 WeakPolarHBondContact O-CB 3.47Å; T543-Q546 PolarHBondContact O-N 3.09Å; T543-Q546 VanDerWaalsContact O-N 3.14Å; T543-T547 PolarHBondContact O-N 3.14Å; T543-T547 PolarHBondContact O-OG1 3.5Å
544S83.9Confident80.2Confident65 Ų65102.4 Ų102.446%0.45553%0.526SS..Hα-helixtrans-57-46.5175.7-176.70000112.2S540 D541 Q546 T547 T548S540-S544 PolarHBondContact O-N 2.88Å; D541-S544 WeakPolarHBondContact O-CB 3.36Å; D541-S544 PolarHBondContact O-N 3.33Å; S544-Q546 PolarHBondContact O-N 3.49Å; S544-T547 WeakPolarHBondContact CA-OG1 3.39Å; S544-T547 PolarHBondContact O-N 3.16Å; S544-T547 PolarHBondContact O-OG1 3.09Å; S544-T548 WeakPolarHBondContact O-CB 3.46Å; S544-T548 PolarHBondContact O-N 2.88Å; S544-T548 PolarHBondContact O-OG1 3.1Å
545L82.2Confident81.3Confident111 Ų111100.8 Ų100.858%0.58152%0.518SS*.Hα-helixtrans-61.9-40175-72171.8000112.4D541 L542 T543 T548 N549D541-L545 WeakPolarHBondContact O-CG 3.49Å; D541-L545 PolarHBondContact O-N 2.97Å; L542-L545 PolarHBondContact O-N 3.12Å; T543-L545 PolarHBondContact O-N 3.47Å; L545-T548 PolarHBondContact O-N 3.3Å; L545-N549 VanDerWaalsContact O-CB 3.32Å; L545-N549 WeakPolarHBondContact O-CB 3.35Å; L545-N549 PolarHBondContact O-N 3.28Å
546Q83.5Confident82.4Confident101 Ų101100.4 Ų100.447%0.47251%0.512SS..Hα-helixtrans-63.9-42.8175.4-72.9178.68.700112.5L542 T543 S544 N549 K550L542-Q546 WeakPolarHBondContact O-CG 3.29Å; L542-Q546 PolarHBondContact O-N 2.77Å; T543-Q546 WeakPolarHBondContact O-CB 3.47Å; T543-Q546 PolarHBondContact O-N 3.09Å; T543-Q546 VanDerWaalsContact O-N 3.14Å; S544-Q546 PolarHBondContact O-N 3.49Å; Q546-N549 PolarHBondContact O-N 2.97Å; Q546-K550 WeakPolarHBondContact O-CG 3.31Å; Q546-K550 PolarHBondContact O-N 3.11Å
547T85.8Confident83.4Confident85 Ų8597.5 Ų97.552%0.52150%0.502SS..Hα-helixtrans-61.6-43.3172.320.80000112.1T543 S544 N549 K550 F551T543-T547 PolarHBondContact O-N 3.14Å; T543-T547 PolarHBondContact O-OG1 3.5Å; S544-T547 WeakPolarHBondContact CA-OG1 3.39Å; S544-T547 PolarHBondContact O-N 3.16Å; S544-T547 PolarHBondContact O-OG1 3.09Å; T547-N549 PolarHBondContact O-N 3.19Å; T547-K550 PolarHBondContact O-N 3.38Å; T547-F551 PolarHBondContact O-N 2.95Å
548T87.8Confident84.1Confident67 Ų6793.4 Ų93.441%0.41149%0.492SS..Hα-helixtrans-62.5-43.8178.4-56.30000111S544 L545 F551 L552S544-T548 WeakPolarHBondContact O-CB 3.46Å; S544-T548 PolarHBondContact O-N 2.88Å; S544-T548 PolarHBondContact O-OG1 3.1Å; L545-T548 PolarHBondContact O-N 3.3Å; T548-F551 WeakPolarHBondContact O-CB 3.47Å; T548-F551 PolarHBondContact O-N 3.34Å; T548-L552 HydrophobicContact CG2-CD1 4.14Å; T548-L552 HydrophobicContact CG2-CG 4.49Å; T548-L552 WeakPolarHBondContact O-CG 3.5Å; T548-L552 PolarHBondContact O-N 3.44Å
549N81.4Confident84.6Confident102 Ų10290.7 Ų90.755%0.54549%0.489SS..Hα-helixtrans-67.4-38.5178.9-164.41.8000112.3L545 Q546 T547 F551 L552 S553L545-N549 VanDerWaalsContact O-CB 3.32Å; L545-N549 WeakPolarHBondContact O-CB 3.35Å; L545-N549 PolarHBondContact O-N 3.28Å; Q546-N549 PolarHBondContact O-N 2.97Å; T547-N549 PolarHBondContact O-N 3.19Å; N549-F551 PolarHBondContact O-N 2.9Å; N549-L552 PolarHBondContact O-N 3.44Å; N549-S553 VanDerWaalsContact O-CB 3.26Å; N549-S553 WeakPolarHBondContact O-CB 3.29Å; N549-S553 PolarHBondContact O-N 2.95Å; N549-S553 PolarHBondContact O-OG 3.37Å
550K86.3Confident85.4Confident152 Ų15292 Ų9266%0.66149%0.489SS*.Hα-helixtrans-59.5-44.1170.6-74.7172.9-179.5175.20111.9Q546 T547 S553 S554Q546-K550 WeakPolarHBondContact O-CG 3.31Å; Q546-K550 PolarHBondContact O-N 3.11Å; T547-K550 PolarHBondContact O-N 3.38Å; K550-S553 PolarHBondContact O-N 3.22Å; K550-S554 PolarHBondContact O-N 2.97Å
551F85.4Confident85.9Confident132 Ų13292.5 Ų92.558%0.57949%0.485SS*.Hα-helixtrans-64-47.5177.9177.5-116.8000112.3T547 T548 N549 S553 S554 Q555T547-F551 PolarHBondContact O-N 2.95Å; T548-F551 WeakPolarHBondContact O-CB 3.47Å; T548-F551 PolarHBondContact O-N 3.34Å; N549-F551 PolarHBondContact O-N 2.9Å; F551-S553 PolarHBondContact O-N 3.46Å; F551-S554 WeakPolarHBondContact O-CB 3.37Å; F551-S554 PolarHBondContact O-N 3.07Å; F551-Q555 PolarHBondContact O-N 3.34Å
552L86.8Confident86.2Confident94 Ų9495.3 Ų95.349%0.49249%0.494SS..Hα-helixtrans-63-40.2175.9-69173.9000112.4T548 N549 S554 Q555 L556T548-L552 HydrophobicContact CG2-CD1 4.14Å; T548-L552 HydrophobicContact CG2-CG 4.49Å; T548-L552 WeakPolarHBondContact O-CG 3.5Å; T548-L552 PolarHBondContact O-N 3.44Å; N549-L552 PolarHBondContact O-N 3.44Å; L552-S554 VanDerWaalsContact C-N 3.32Å; L552-S554 PolarHBondContact O-N 2.92Å; L552-Q555 PolarHBondContact O-N 3.1Å; L552-L556 WeakPolarHBondContact O-CB 3.33Å; L552-L556 PolarHBondContact O-N 3.48Å
553S86.3Confident86.6Confident65 Ų6595 Ų9546%0.45550%0.495SS..Hα-helixtrans-61.3-39.7174.8-630000111.9N549 K550 F551 L556 N557N549-S553 VanDerWaalsContact O-CB 3.26Å; N549-S553 WeakPolarHBondContact O-CB 3.29Å; N549-S553 PolarHBondContact O-N 2.95Å; N549-S553 PolarHBondContact O-OG 3.37Å; K550-S553 PolarHBondContact O-N 3.22Å; F551-S553 PolarHBondContact O-N 3.46Å; S553-L556 PolarHBondContact O-N 2.85Å; S553-N557 PolarHBondContact O-N 2.76Å; S553-N557 VanDerWaalsContact O-N 3.07Å
554S87.8Confident86.7Confident67 Ų6795.8 Ų95.847%0.46950%0.497SS..Hα-helixtrans-63.2-48.3173.7-166.10000111.6K550 F551 L552 L556 N557 D558K550-S554 PolarHBondContact O-N 2.97Å; F551-S554 WeakPolarHBondContact O-CB 3.37Å; F551-S554 PolarHBondContact O-N 3.07Å; L552-S554 VanDerWaalsContact C-N 3.32Å; L552-S554 PolarHBondContact O-N 2.92Å; S554-L556 VanDerWaalsContact C-N 3.32Å; S554-L556 PolarHBondContact O-N 3.28Å; S554-N557 PolarHBondContact O-N 2.89Å; S554-D558 PolarHBondContact O-N 3.28Å
555Q89.6Confident86.9Confident85 Ų8595.6 Ų95.640%0.39750%0.498SS..Hα-helixtrans-60.5-41.1177.1-70.9-166.639.700112.5F551 L552 N557 D558 L559F551-Q555 PolarHBondContact O-N 3.34Å; L552-Q555 PolarHBondContact O-N 3.1Å; Q555-N557 VanDerWaalsContact C-N 3.3Å; Q555-N557 PolarHBondContact O-N 2.88Å; Q555-D558 PolarHBondContact O-N 3.23Å; Q555-L559 WeakPolarHBondContact O-CB 3.45Å; Q555-L559 WeakPolarHBondContact O-CG 3.27Å; Q555-L559 PolarHBondContact O-N 3.4Å
556L86.1Confident87.1Confident91 Ų9195.9 Ų95.948%0.47650%0.495SS..Hα-helixtrans-62.5-39.2177.3-175.365.6000111.4L552 S553 S554 L559 R560L552-L556 WeakPolarHBondContact O-CB 3.33Å; L552-L556 PolarHBondContact O-N 3.48Å; S553-L556 PolarHBondContact O-N 2.85Å; S554-L556 VanDerWaalsContact C-N 3.32Å; S554-L556 PolarHBondContact O-N 3.28Å; L556-L559 PolarHBondContact O-N 2.99Å; L556-R560 WeakPolarHBondContact O-CG 3.3Å; L556-R560 PolarHBondContact O-N 3.2Å
557N88.1Confident87.3Confident86 Ų8695.1 Ų95.146%0.4649%0.494SS..Hα-helixtrans-67.7-42176.9-158.647.4000111.8S553 S554 Q555 L559 R560 N561S553-N557 PolarHBondContact O-N 2.76Å; S553-N557 VanDerWaalsContact O-N 3.07Å; S554-N557 PolarHBondContact O-N 2.89Å; Q555-N557 VanDerWaalsContact C-N 3.3Å; Q555-N557 PolarHBondContact O-N 2.88Å; N557-L559 VanDerWaalsContact C-N 3.33Å; N557-L559 PolarHBondContact O-N 3.03Å; N557-R560 PolarHBondContact O-N 2.96Å; N557-N561 VanDerWaalsContact O-CG 3.28Å; N557-N561 PolarHBondContact O-N 3.3Å; N557-N561 PolarHBondContact O-ND2 2.89Å
558D88.6Confident87.4Confident79 Ų7997.8 Ų97.842%0.42250%0.499SS..Hα-helixtrans-62-39.2173.6-75.7-17.5000112.5S554 Q555 N561 K562S554-D558 PolarHBondContact O-N 3.28Å; Q555-D558 PolarHBondContact O-N 3.23Å; D558-N561 PolarHBondContact O-N 3.07Å; D558-K562 WeakPolarHBondContact O-CB 3.45Å; D558-K562 WeakPolarHBondContact O-CD 3.44Å; D558-K562 VanDerWaalsContact O-CG 3.26Å; D558-K562 WeakPolarHBondContact O-CG 3.12Å; D558-K562 PolarHBondContact O-N 3.46Å
559L88.6Confident87.4Confident99 Ų99100.2 Ų100.252%0.51851%0.507SS..Hα-helixtrans-66.6-44175-73.6172.1000111.6Q555 L556 N557 N561 K562 V563Q555-L559 WeakPolarHBondContact O-CB 3.45Å; Q555-L559 WeakPolarHBondContact O-CG 3.27Å; Q555-L559 PolarHBondContact O-N 3.4Å; L556-L559 PolarHBondContact O-N 2.99Å; N557-L559 VanDerWaalsContact C-N 3.33Å; N557-L559 PolarHBondContact O-N 3.03Å; L559-N561 VanDerWaalsContact C-N 3.34Å; L559-N561 PolarHBondContact O-N 3.37Å; L559-K562 PolarHBondContact O-N 2.75Å; L559-V563 WeakPolarHBondContact O-CG2 3.4Å; L559-V563 PolarHBondContact O-N 3.08Å
560R89.4Confident87.5Confident153 Ų153100.4 Ų100.458%0.57751%0.507SS*.Hα-helixtrans-56.7-47173-76.6175.4175.6179.9-1.3111.6L556 N557 K562 V563 I564L556-R560 WeakPolarHBondContact O-CG 3.3Å; L556-R560 PolarHBondContact O-N 3.2Å; N557-R560 PolarHBondContact O-N 2.96Å; R560-K562 VanDerWaalsContact C-N 3.33Å; R560-K562 PolarHBondContact O-N 2.97Å; R560-V563 PolarHBondContact O-N 3.33Å; R560-I564 WeakPolarHBondContact O-CG1 3.47Å; R560-I564 PolarHBondContact O-N 3.28Å
561N89.9Confident87.4Confident85 Ų8597.1 Ų97.146%0.45550%0.499SS..Hα-helixtrans-60.4-40.9176.8-70.7-31000112.3N557 D558 L559 A565N557-N561 VanDerWaalsContact O-CG 3.28Å; N557-N561 PolarHBondContact O-N 3.3Å; N557-N561 PolarHBondContact O-ND2 2.89Å; D558-N561 PolarHBondContact O-N 3.07Å; L559-N561 VanDerWaalsContact C-N 3.34Å; L559-N561 PolarHBondContact O-N 3.37Å; N561-A565 WeakPolarHBondContact O-CB 3.39Å; N561-A565 PolarHBondContact O-N 2.88Å
562K89.7Confident87.3Confident126 Ų12697.6 Ų97.655%0.54850%0.503SS..Hα-helixtrans-66.4-35.1175.1-73.7164.5-175.7165.80113.1D558 L559 R560 K566D558-K562 WeakPolarHBondContact O-CB 3.45Å; D558-K562 WeakPolarHBondContact O-CD 3.44Å; D558-K562 VanDerWaalsContact O-CG 3.26Å; D558-K562 WeakPolarHBondContact O-CG 3.12Å; D558-K562 PolarHBondContact O-N 3.46Å; L559-K562 PolarHBondContact O-N 2.75Å; R560-K562 VanDerWaalsContact C-N 3.33Å; R560-K562 PolarHBondContact O-N 2.97Å; K562-K566 WeakPolarHBondContact O-CG 3.47Å; K562-K566 PolarHBondContact O-N 3.08Å
563V87.6Confident86.8Confident81 Ų8197.4 Ų97.449%0.49150%0.502SS..Hα-helixtrans-67.4-51.5174.2171.20000110.2L559 R560 A565 K566 D567L559-V563 WeakPolarHBondContact O-CG2 3.4Å; L559-V563 PolarHBondContact O-N 3.08Å; R560-V563 PolarHBondContact O-N 3.33Å; V563-A565 PolarHBondContact O-N 3.49Å; V563-K566 CarbonylContact O-C 3.57Å; V563-K566 WeakPolarHBondContact O-CA 3.48Å; V563-K566 WeakPolarHBondContact O-CB 3.4Å; V563-K566 PolarHBondContact O-N 2.98Å; V563-D567 PolarHBondContact O-N 3.11Å
564I86.8Confident86.5Confident86 Ų8695.9 Ų95.944%0.44150%0.497SS..Hα-helixtrans-56-39.6177.5-66.6163.8000111.7R560 K568R560-I564 WeakPolarHBondContact O-CG1 3.47Å; R560-I564 PolarHBondContact O-N 3.28Å; I564-K568 WeakPolarHBondContact O-CG 3.4Å; I564-K568 PolarHBondContact O-N 3.37Å; I564-K568 VanDerWaalsContact O-N 3.16Å
565A87.2Confident86.2Confident60 Ų6099.2 Ų99.250%0.49650%0.503SS..Hα-helixtrans-65.2-36.8175.400000112.9N561 V563 M569N561-A565 WeakPolarHBondContact O-CB 3.39Å; N561-A565 PolarHBondContact O-N 2.88Å; V563-A565 PolarHBondContact O-N 3.49Å; A565-M569 PolarHBondContact O-N 3.01Å
566K85.5Confident85.6Confident117 Ų117103.7 Ų103.751%0.50952%0.516SS..Hα-helixtrans-73.1-39.3176.2-76-177.3175.6-170.70112.7K562 V563 K568 M569 I570K562-K566 WeakPolarHBondContact O-CG 3.47Å; K562-K566 PolarHBondContact O-N 3.08Å; V563-K566 CarbonylContact O-C 3.57Å; V563-K566 WeakPolarHBondContact O-CA 3.48Å; V563-K566 WeakPolarHBondContact O-CB 3.4Å; V563-K566 PolarHBondContact O-N 2.98Å; K566-K568 VanDerWaalsContact C-N 3.32Å; K566-K568 PolarHBondContact O-N 3.18Å; K566-M569 CarbonylContact O-C 3.6Å; K566-M569 WeakPolarHBondContact O-CB 3.32Å; K566-M569 PolarHBondContact O-N 3.5Å; K566-M569 VanDerWaalsContact O-N 3.11Å; K566-I570 WeakPolarHBondContact O-CG1 3.44Å; K566-I570 PolarHBondContact O-N 3.1Å
567D87.9Confident84.9Confident85 Ų85102.9 Ų102.946%0.45552%0.517SS..Hα-helixtrans-62.2-41.9176.4-66.7-24.8000111V563 M569 I570 V571V563-D567 PolarHBondContact O-N 3.11Å; D567-M569 VanDerWaalsContact C-N 3.33Å; D567-M569 PolarHBondContact O-N 2.91Å; D567-I570 PolarHBondContact O-N 3.28Å; D567-V571 WeakPolarHBondContact O-CG2 3.27Å; D567-V571 PolarHBondContact O-N 3.29Å
568K88.2Confident84.2Confident141 Ų141104.5 Ų104.561%0.61352%0.522SS*.Hα-helixtrans-57.3-45.1171.3-72.9175.5-179.5-177.60112.2I564 K566 I570 V571 E572I564-K568 WeakPolarHBondContact O-CG 3.4Å; I564-K568 PolarHBondContact O-N 3.37Å; I564-K568 VanDerWaalsContact O-N 3.16Å; K566-K568 VanDerWaalsContact C-N 3.32Å; K566-K568 PolarHBondContact O-N 3.18Å; K568-I570 PolarHBondContact O-N 3Å; K568-V571 PolarHBondContact O-N 2.85Å; K568-E572 PolarHBondContact O-N 3.2Å
569M87.4Confident83.3Confident118 Ų118104.3 Ų104.358%0.58153%0.527SS*.Hα-helixtrans-64.5-37.3177.4-169.8-177.4-176.300112.4A565 K566 D567 E572 L573A565-M569 PolarHBondContact O-N 3.01Å; K566-M569 CarbonylContact O-C 3.6Å; K566-M569 WeakPolarHBondContact O-CB 3.32Å; K566-M569 PolarHBondContact O-N 3.5Å; K566-M569 VanDerWaalsContact O-N 3.11Å; D567-M569 VanDerWaalsContact C-N 3.33Å; D567-M569 PolarHBondContact O-N 2.91Å; M569-E572 PolarHBondContact O-N 3.04Å; M569-L573 HydrophobicContact CG-CD1 4.36Å; M569-L573 WeakPolarHBondContact O-CB 3.49Å; M569-L573 VanDerWaalsContact O-CG 3.29Å; M569-L573 WeakPolarHBondContact O-CG 3.5Å; M569-L573 PolarHBondContact O-N 2.87Å
570I84Confident82.3Confident107 Ų107104.3 Ų104.355%0.54953%0.527SS..Hα-helixtrans-65.1-43.3174.6-69.6165.6000110.5K566 D567 K568 L573 G574K566-I570 WeakPolarHBondContact O-CG1 3.44Å; K566-I570 PolarHBondContact O-N 3.1Å; D567-I570 PolarHBondContact O-N 3.28Å; K568-I570 PolarHBondContact O-N 3Å; I570-L573 PolarHBondContact O-N 3.39Å; I570-G574 PolarHBondContact O-N 2.81Å
571V84.4Confident81Confident83 Ų83103.3 Ų103.350%0.50353%0.532SS..Hα-helixtrans-63.3-40.7176.21710000111.8D567 K568 G574 K575D567-V571 WeakPolarHBondContact O-CG2 3.27Å; D567-V571 PolarHBondContact O-N 3.29Å; K568-V571 PolarHBondContact O-N 2.85Å; V571-G574 PolarHBondContact O-N 2.92Å; V571-K575 HydrophobicContact CG1-CD 4.47Å; V571-K575 WeakPolarHBondContact O-CG 3.35Å; V571-K575 PolarHBondContact O-N 3.46Å; V571-K575 VanDerWaalsContact O-N 3.09Å
572E83.9Confident79.4Confident141 Ų141106.2 Ų106.266%0.65955%0.547SS*.Hα-helixtrans-64.9-41.1174.1-74.8-175.5174.100112.6K568 M569 R576K568-E572 PolarHBondContact O-N 3.2Å; M569-E572 PolarHBondContact O-N 3.04Å; E572-R576 WeakPolarHBondContact O-CB 3.47Å; E572-R576 PolarHBondContact O-N 3.03Å
573L76.1Confident77.6Confident90 Ų90103.8 Ų103.847%0.47155%0.546SS..Hα-helixtrans-64.8-41.3174.9-73.7169.1000111.8M569 I570 R576 C577M569-L573 HydrophobicContact CG-CD1 4.36Å; M569-L573 WeakPolarHBondContact O-CB 3.49Å; M569-L573 VanDerWaalsContact O-CG 3.29Å; M569-L573 WeakPolarHBondContact O-CG 3.5Å; M569-L573 PolarHBondContact O-N 2.87Å; I570-L573 PolarHBondContact O-N 3.39Å; L573-R576 WeakPolarHBondContact O-CB 3.5Å; L573-R576 PolarHBondContact O-N 3.31Å; L573-C577 PolarHBondContact O-N 2.84Å; L573-C577 PolarHBondContact O-SG 3.2Å; L573-C577 VanDerWaalsContact O-SG 3.38Å
574G80.8Confident75.3Confident33 Ų33106.9 Ų106.934%0.3456%0.555SS.*Hα-helixtrans-56.9-53.317500000112I570 V571 R576 C577 E578I570-G574 PolarHBondContact O-N 2.81Å; V571-G574 PolarHBondContact O-N 2.92Å; G574-R576 PolarHBondContact O-N 3.14Å; G574-C577 WeakPolarHBondContact O-CB 3.35Å; G574-C577 PolarHBondContact O-N 3.07Å; G574-E578 PolarHBondContact O-N 3.44Å
575K81.5Confident73.2Confident137 Ų137108 Ų10860%0.59657%0.568SS**Hα-helixtrans-57.3-35.5175.3-71.7176.3179-1770113.1V571 S579V571-K575 HydrophobicContact CG1-CD 4.47Å; V571-K575 WeakPolarHBondContact O-CG 3.35Å; V571-K575 PolarHBondContact O-N 3.46Å; V571-K575 VanDerWaalsContact O-N 3.09Å; K575-S579 WeakPolarHBondContact O-CB 3.22Å; K575-S579 PolarHBondContact O-N 2.99Å
576R76.9Confident70.9Confident179 Ų179113 Ų11368%0.67559%0.586SS**Hα-helixtrans-70.5-36.5177.5-164.4173.6-174.1172.21.4111.9E572 L573 G574 I580E572-R576 WeakPolarHBondContact O-CB 3.47Å; E572-R576 PolarHBondContact O-N 3.03Å; L573-R576 WeakPolarHBondContact O-CB 3.5Å; L573-R576 PolarHBondContact O-N 3.31Å; G574-R576 PolarHBondContact O-N 3.14Å; R576-I580 WeakPolarHBondContact O-CD1 3.42Å; R576-I580 VanDerWaalsContact O-CG1 3.27Å; R576-I580 WeakPolarHBondContact O-CG1 3.25Å; R576-I580 PolarHBondContact O-N 3.25Å
577C70.7Confident68.6Low75 Ų75116.9 Ų116.951%0.50760%0.603SS.*Hα-helixtrans-68.4-44.7172.4-67.90000112L573 G574 S579 I580 L581L573-C577 PolarHBondContact O-N 2.84Å; L573-C577 PolarHBondContact O-SG 3.2Å; L573-C577 VanDerWaalsContact O-SG 3.38Å; G574-C577 WeakPolarHBondContact O-CB 3.35Å; G574-C577 PolarHBondContact O-N 3.07Å; C577-S579 VanDerWaalsContact C-N 3.34Å; C577-S579 PolarHBondContact O-N 3.28Å; C577-I580 PolarHBondContact O-N 3.49Å; C577-I580 VanDerWaalsContact O-N 3.08Å; C577-L581 PolarHBondContact O-N 3.49Å
578E72.7Confident66.2Low119 Ų119117 Ų11756%0.55662%0.616SS**Hα-helixtrans-56.3-47.7173.5-71.4171.716200111G574 I580 L581 D582G574-E578 PolarHBondContact O-N 3.44Å; E578-I580 PolarHBondContact O-N 3.37Å; E578-L581 PolarHBondContact O-N 3.41Å; E578-L581 VanDerWaalsContact O-N 3.1Å; E578-D582 PolarHBondContact O-N 2.89Å
579S70.6Confident63.7Low76 Ų76117.4 Ų117.453%0.53163%0.625SS.*Hα-helixtrans-60.7-27.7175.6177.10000114.1K575 C577 S583K575-S579 WeakPolarHBondContact O-CB 3.22Å; K575-S579 PolarHBondContact O-N 2.99Å; C577-S579 VanDerWaalsContact C-N 3.34Å; C577-S579 PolarHBondContact O-N 3.28Å; S579-S583 VanDerWaalsContact O-CB 3.25Å; S579-S583 WeakPolarHBondContact O-CB 3.5Å; S579-S583 PolarHBondContact O-N 3.36Å; S579-S583 PolarHBondContact O-OG 3.34Å
580I68.2Low60.9Low99 Ų99120.4 Ų120.451%0.50864%0.638SS.*Hα-helixtrans-77.6-37.3176-70.7163.2000110.5R576 C577 E578 S583R576-I580 WeakPolarHBondContact O-CD1 3.42Å; R576-I580 VanDerWaalsContact O-CG1 3.27Å; R576-I580 WeakPolarHBondContact O-CG1 3.25Å; R576-I580 PolarHBondContact O-N 3.25Å; C577-I580 PolarHBondContact O-N 3.49Å; C577-I580 VanDerWaalsContact O-N 3.08Å; E578-I580 PolarHBondContact O-N 3.37Å; I580-S583 WeakPolarHBondContact CA-OG 3.45Å; I580-S583 PolarHBondContact O-OG 3.06Å
581L61.5Low58.4Low132 Ų132123.6 Ų123.669%0.69165%0.65SS**Hα-helixtrans-67.8-47.7175.4-69.8165.2000111.5C577 E578 S583 H584C577-L581 PolarHBondContact O-N 3.49Å; E578-L581 PolarHBondContact O-N 3.41Å; E578-L581 VanDerWaalsContact O-N 3.1Å; L581-S583 VanDerWaalsContact C-N 3.27Å; L581-S583 PolarHBondContact O-N 3.32Å; L581-H584 PolarHBondContact O-N 3.04Å
582D57.1Low55.9Low145 Ų145125.5 Ų125.578%0.77566%0.664SS**Hα-helixtrans-68-23.6178.6-78.9-15.3000113.4E578 H584E578-D582 PolarHBondContact O-N 2.89Å; D582-H584 VanDerWaalsContact C-N 3.33Å
583S51.2Low53.3Low75 Ų75125.5 Ų125.552%0.52467%0.667SS.*THydrogen-bonded Turntrans-86.62.1176.957.80000114.4S579 I580 L581 P585S579-S583 VanDerWaalsContact O-CB 3.25Å; S579-S583 WeakPolarHBondContact O-CB 3.5Å; S579-S583 PolarHBondContact O-N 3.36Å; S579-S583 PolarHBondContact O-OG 3.34Å; I580-S583 WeakPolarHBondContact CA-OG 3.45Å; I580-S583 PolarHBondContact O-OG 3.06Å; L581-S583 VanDerWaalsContact C-N 3.27Å; L581-S583 PolarHBondContact O-N 3.32Å; S583-P585 WeakPolarHBondContact O-CD 3.38Å
584H39.3Very low51Low146 Ų146126.9 Ų126.968%0.67668%0.679SS**SBendtrans-96.993.9164-88.462.5000110.4L581 D582 N586L581-H584 PolarHBondContact O-N 3.04Å; D582-H584 VanDerWaalsContact C-N 3.33Å; H584-N586 PolarHBondContact O-N 3.43Å
585P42.5Very low48.5Very low109 Ų109133.1 Ų133.171%0.70871%0.705SS**  trans-65.7101.1175.527.8-34.6000109.3S583 K587S583-P585 WeakPolarHBondContact O-CD 3.38Å; P585-K587 PolarHBondContact O-N 2.94Å
586N38.6Very low46Very low166 Ų166130.4 Ų130.489%0.88872%0.716SS**  trans-73.673.2-179.1-150.5-0.2000110.1H584H584-N586 PolarHBondContact O-N 3.43Å
587K37.3Very low43.7Very low198 Ų198128.4 Ų128.486%0.86172%0.718SS**  trans-117.975.3177.4-84-166.9175.1-176.90110.5P585P585-K587 PolarHBondContact O-N 2.94Å
588A38.3Very low41.9Very low88 Ų88133.6 Ų133.673%0.72773%0.732SS**  trans-152.388.3152.400000108.6
589N34.9Very low40.2Very low149 Ų149132.6 Ų132.680%0.79775%0.745SS**  trans-61.9136.2160.5-75.2-7.3000108.5
590E29.3Very low38.6Very low181 Ų181134.9 Ų134.985%0.84676%0.755SS**  trans21.4107139.3-56.6179.914600117.7
591E31.5Very low37.5Very low175 Ų175133.8 Ų133.882%0.81876%0.755SS**  trans-162.3121.1130.7-115.9177.2-150.400111.6
592P31Very low36.8Very low122 Ų122132.1 Ų132.179%0.79276%0.755SS**  trans-104.1108.9-179.135.1-28.6000112.8
593I30.4Very low36.3Very low142 Ų142134.1 Ų134.173%0.72875%0.751SS**  trans-131.997.9175-58-175.9000112.5
594V27.8Very low35.9Very low118 Ų118133.9 Ų133.972%0.71575%0.749SS**  48.6115.9123.4-176.90000120.4
595N26.8Very low36.2Very low164 Ų164132.8 Ų132.888%0.87774%0.744SS**  trans30.3113142.8-59.5-23.7000120
596G28.8Very low36.4Very low80 Ų80134.5 Ų134.583%0.82574%0.742SS**  trans-154.5108.7164.700000112.3
597D28.7Very low36.9Very low138 Ų138131.9 Ų131.974%0.73873%0.725SS**  trans-69.3146.1-177.5-128.2-4.6000113.1
598K32.9Very low37.3Very low183 Ų183127.3 Ų127.380%0.79671%0.709SS**  trans61.995.2156.7-59.8159.2-174.4153.20119.3
599A37.2Very low38Very low99 Ų99126 Ų12682%0.81870%0.695SS**  -175109.9120.100000110.4C601A599-C601 PolarHBondContact O-N 3.06Å; A599-C601 VanDerWaalsContact O-N 3.12Å
600V37.8Very low38.8Very low124 Ų124122.1 Ų122.175%0.75268%0.677SS**  trans-72.6107.3179-179.10000109.6
601C44.9Very low39.9Very low75 Ų75118.3 Ų118.351%0.50766%0.659SS.*  trans-76.3126.7170.9-179.60000109.7A599 R603 C604A599-C601 PolarHBondContact O-N 3.06Å; A599-C601 VanDerWaalsContact O-N 3.12Å; C601-R603 PolarHBondContact O-N 3.5Å; C601-R603 VanDerWaalsContact O-N 3.09Å; C601-C604 WeakPolarHBondContact O-CB 3.5Å; C601-C604 PolarHBondContact O-N 2.91Å
602S46.8Very low40.9Very low97 Ų97115.3 Ų115.368%0.67865%0.648SS**Hα-helixtrans-55.1-33-175.2-430000113.4C604 Q605 E606S602-C604 VanDerWaalsContact C-N 3.28Å; S602-C604 PolarHBondContact O-N 3.23Å; S602-Q605 PolarHBondContact O-N 3.24Å; S602-E606 PolarHBondContact O-N 2.81Å
603R46.3Very low42.1Very low188 Ų188114.4 Ų114.471%0.70964%0.637SS**Hα-helixtrans-68.4-25.1178.5-164.9171.5-179.2171.1-0.2113.2C601 H607C601-R603 PolarHBondContact O-N 3.5Å; C601-R603 VanDerWaalsContact O-N 3.09Å; R603-H607 PolarHBondContact O-CD2 2.78Å; R603-H607 PolarHBondContact O-N 3.07Å
604C42.5Very low43.5Very low70 Ų70113.5 Ų113.547%0.47363%0.63SS.*Hα-helixtrans-77.6-27.3174-57.70000111.9C601 S602 H607 L608C601-C604 WeakPolarHBondContact O-CB 3.5Å; C601-C604 PolarHBondContact O-N 2.91Å; S602-C604 VanDerWaalsContact C-N 3.28Å; S602-C604 PolarHBondContact O-N 3.23Å; C604-H607 PolarHBondContact O-N 3.4Å; C604-L608 WeakPolarHBondContact O-CG 3.29Å; C604-L608 PolarHBondContact O-N 2.92Å
605Q45.5Very low45.1Very low123 Ų123113.8 Ų113.858%0.57562%0.623SS**Hα-helixtrans-72.2-34.6178.9-167170.53.300112.1S602 S609S602-Q605 PolarHBondContact O-N 3.24Å; Q605-S609 WeakPolarHBondContact O-CB 3.31Å; Q605-S609 PolarHBondContact O-N 2.85Å; Q605-S609 PolarHBondContact O-OG 3.01Å
606E47.9Very low47Very low144 Ų144109.3 Ų109.367%0.67361%0.605SS**Hα-helixtrans-64.8-43.1168.3-72.6-175.9149.200111.5S602 S609 T610S602-E606 PolarHBondContact O-N 2.81Å; E606-S609 WeakPolarHBondContact O-CB 3.46Å; E606-S609 PolarHBondContact O-N 3.22Å; E606-T610 PolarHBondContact O-N 2.95Å; E606-T610 PolarHBondContact O-OG1 3.11Å
607H48.1Very low49Very low112 Ų112110.1 Ų110.152%0.51959%0.59SS.*Hα-helixtrans-63.1-44.6177.7-89.1-69.8000113.2R603 C604 S609 T610 E611R603-H607 PolarHBondContact O-CD2 2.78Å; R603-H607 PolarHBondContact O-N 3.07Å; C604-H607 PolarHBondContact O-N 3.4Å; H607-S609 VanDerWaalsContact C-N 3.31Å; H607-S609 PolarHBondContact O-N 3.48Å; H607-T610 WeakPolarHBondContact CA-OG1 3.39Å; H607-T610 PolarHBondContact O-N 2.99Å; H607-T610 VanDerWaalsContact O-N 3.12Å; H607-T610 PolarHBondContact O-OG1 3.42Å; H607-E611 PolarHBondContact O-N 3.47Å
608L46.4Very low51Low101 Ų101109.3 Ų109.353%0.52958%0.582SS.*Hα-helixtrans-61.5-39.3173.2-71.7167.9000111.9C604 T610 E611 D612C604-L608 WeakPolarHBondContact O-CG 3.29Å; C604-L608 PolarHBondContact O-N 2.92Å; L608-T610 VanDerWaalsContact C-N 3.27Å; L608-T610 PolarHBondContact O-N 2.96Å; L608-E611 PolarHBondContact O-N 3.03Å; L608-D612 PolarHBondContact O-N 3.4Å
609S52.4Low53Low62 Ų62106.4 Ų106.443%0.43458%0.575SS.*Hα-helixtrans-66.5-28.1175.7-550000112.9Q605 E606 H607 N613Q605-S609 WeakPolarHBondContact O-CB 3.31Å; Q605-S609 PolarHBondContact O-N 2.85Å; Q605-S609 PolarHBondContact O-OG 3.01Å; E606-S609 WeakPolarHBondContact O-CB 3.46Å; E606-S609 PolarHBondContact O-N 3.22Å; H607-S609 VanDerWaalsContact C-N 3.31Å; H607-S609 PolarHBondContact O-N 3.48Å; S609-N613 PolarHBondContact O-N 2.84Å; S609-N613 PolarHBondContact O-ND2 3.04Å
610T52.1Low54.9Low67 Ų67106.2 Ų106.241%0.41156%0.56SS.*Hα-helixtrans-79.5-34.9171.151.80000112.8E606 H607 L608 N613 Q614E606-T610 PolarHBondContact O-N 2.95Å; E606-T610 PolarHBondContact O-OG1 3.11Å; H607-T610 WeakPolarHBondContact CA-OG1 3.39Å; H607-T610 PolarHBondContact O-N 2.99Å; H607-T610 VanDerWaalsContact O-N 3.12Å; H607-T610 PolarHBondContact O-OG1 3.42Å; L608-T610 VanDerWaalsContact C-N 3.27Å; L608-T610 PolarHBondContact O-N 2.96Å; T610-N613 PolarHBondContact O-N 2.93Å; T610-Q614 WeakPolarHBondContact O-CB 3.27Å; T610-Q614 VanDerWaalsContact O-CG 3.3Å; T610-Q614 WeakPolarHBondContact O-CG 3.45Å; T610-Q614 PolarHBondContact O-N 3.39Å
611E50.9Low57Low100 Ų100104.8 Ų104.847%0.46755%0.547SS..Hα-helixtrans-68.2-44.5176-75.9178.8166.700111.5H607 L608 N613 Q614 Q615H607-E611 PolarHBondContact O-N 3.47Å; L608-E611 PolarHBondContact O-N 3.03Å; E611-N613 VanDerWaalsContact C-N 3.31Å; E611-N613 PolarHBondContact O-N 3.38Å; E611-Q614 PolarHBondContact O-N 2.89Å; E611-Q614 VanDerWaalsContact O-N 3.14Å; E611-Q615 WeakPolarHBondContact O-CB 3.44Å; E611-Q615 WeakPolarHBondContact O-CG 3.44Å; E611-Q615 PolarHBondContact O-N 3.43Å
612D54.6Low58.4Low112 Ų112105.3 Ų105.360%0.59954%0.544SS*.Hα-helixtrans-59.9-40.8174-82-21000111.6L608 S616L608-D612 PolarHBondContact O-N 3.4Å; D612-S616 WeakPolarHBondContact O-CB 3.37Å; D612-S616 PolarHBondContact O-N 3.4Å
613N56Low60Low104 Ų104103.5 Ų103.556%0.55653%0.531SS*.Hα-helixtrans-69.7-34.6174.8-91-51.2000112.9S609 T610 E611 N617S609-N613 PolarHBondContact O-N 2.84Å; S609-N613 PolarHBondContact O-ND2 3.04Å; T610-N613 PolarHBondContact O-N 2.93Å; E611-N613 VanDerWaalsContact C-N 3.31Å; E611-N613 PolarHBondContact O-N 3.38Å; N613-N617 PolarHBondContact O-N 3.44Å; N613-N617 VanDerWaalsContact O-N 3.09Å; N613-N617 PolarHBondContact O-ND2 3.31Å
614Q59.4Low61.7Low123 Ų12399.8 Ų99.858%0.57552%0.522SS*.Hα-helixtrans-68.2-48.6174.6-80.1176-13.400110.5T610 E611 S616 N617 E618T610-Q614 WeakPolarHBondContact O-CB 3.27Å; T610-Q614 VanDerWaalsContact O-CG 3.3Å; T610-Q614 WeakPolarHBondContact O-CG 3.45Å; T610-Q614 PolarHBondContact O-N 3.39Å; E611-Q614 PolarHBondContact O-N 2.89Å; E611-Q614 VanDerWaalsContact O-N 3.14Å; Q614-S616 VanDerWaalsContact C-N 3.33Å; Q614-S616 PolarHBondContact O-N 3.14Å; Q614-N617 PolarHBondContact O-N 3.39Å; Q614-N617 VanDerWaalsContact O-N 3.14Å; Q614-E618 WeakPolarHBondContact O-CG 3.26Å; Q614-E618 PolarHBondContact O-N 3Å
615Q60.2Low63.7Low123 Ų123101.3 Ų101.358%0.57553%0.525SS*.Hα-helixtrans-58.8-42174.9-72.8-171.87.600112E611 N617 E618 L619E611-Q615 WeakPolarHBondContact O-CB 3.44Å; E611-Q615 WeakPolarHBondContact O-CG 3.44Å; E611-Q615 PolarHBondContact O-N 3.43Å; Q615-N617 PolarHBondContact O-N 3.1Å; Q615-E618 PolarHBondContact O-N 3.06Å; Q615-L619 WeakPolarHBondContact O-CB 3.27Å; Q615-L619 PolarHBondContact O-N 3.14Å
616S67.2Low65.5Low71 Ų71102.4 Ų102.450%0.49753%0.528SS..Hα-helixtrans-61.3-42.5175.4-171.30000112.3D612 Q614 L619 D620D612-S616 WeakPolarHBondContact O-CB 3.37Å; D612-S616 PolarHBondContact O-N 3.4Å; Q614-S616 VanDerWaalsContact C-N 3.33Å; Q614-S616 PolarHBondContact O-N 3.14Å; S616-L619 PolarHBondContact O-N 3.45Å; S616-D620 PolarHBondContact O-N 3.1Å
617N70.8Confident67.2Low97 Ų9798.5 Ų98.552%0.51952%0.52SS..Hα-helixtrans-68-39.9176.5-80.5-61.3000112N613 Q614 Q615 D620 I621N613-N617 PolarHBondContact O-N 3.44Å; N613-N617 VanDerWaalsContact O-N 3.09Å; N613-N617 PolarHBondContact O-ND2 3.31Å; Q614-N617 PolarHBondContact O-N 3.39Å; Q614-N617 VanDerWaalsContact O-N 3.14Å; Q615-N617 PolarHBondContact O-N 3.1Å; N617-D620 PolarHBondContact O-N 2.83Å; N617-I621 WeakPolarHBondContact O-CD1 3.41Å; N617-I621 VanDerWaalsContact O-CG1 3.25Å; N617-I621 WeakPolarHBondContact O-CG1 3.29Å; N617-I621 PolarHBondContact O-N 3.33Å
618E72Confident69Low120 Ų12099.4 Ų99.456%0.56152%0.523SS*.Hα-helixtrans-63.6-41175.3-73.6-177168.300111.8Q614 Q615 D620 I621 I622Q614-E618 WeakPolarHBondContact O-CG 3.26Å; Q614-E618 PolarHBondContact O-N 3Å; Q615-E618 PolarHBondContact O-N 3.06Å; E618-D620 VanDerWaalsContact C-N 3.33Å; E618-D620 PolarHBondContact O-N 2.87Å; E618-I621 PolarHBondContact O-N 3.26Å; E618-I622 WeakPolarHBondContact O-CB 3.38Å; E618-I622 WeakPolarHBondContact O-CD1 3.5Å; E618-I622 VanDerWaalsContact O-CG1 3.22Å; E618-I622 WeakPolarHBondContact O-CG1 3.3Å; E618-I622 PolarHBondContact O-N 3.27Å
619L74.8Confident70.7Confident123 Ų12399.6 Ų99.664%0.64452%0.524SS*.Hα-helixtrans-62.8-39.5177-136.2106000112Q615 S616 S623Q615-L619 WeakPolarHBondContact O-CB 3.27Å; Q615-L619 PolarHBondContact O-N 3.14Å; S616-L619 PolarHBondContact O-N 3.45Å; L619-S623 WeakPolarHBondContact O-CB 3.44Å; L619-S623 PolarHBondContact O-N 3.12Å; L619-S623 PolarHBondContact O-OG 3.42Å
620D76.8Confident72.4Confident95 Ų9599.5 Ų99.551%0.50852%0.523SS..Hα-helixtrans-67.8-42.9174.8-106.31.6000111.8S616 N617 E618 S623 Q624S616-D620 PolarHBondContact O-N 3.1Å; N617-D620 PolarHBondContact O-N 2.83Å; E618-D620 VanDerWaalsContact C-N 3.33Å; E618-D620 PolarHBondContact O-N 2.87Å; D620-S623 PolarHBondContact O-N 3.5Å; D620-Q624 WeakPolarHBondContact O-CG 3.34Å; D620-Q624 PolarHBondContact O-N 3.42Å
621I80.5Confident74.1Confident94 Ų94100 Ų10048%0.48253%0.529SS..Hα-helixtrans-61.8-45.5175.2-70.1164.3000110.6N617 E618 S623 Q624 L625N617-I621 WeakPolarHBondContact O-CD1 3.41Å; N617-I621 VanDerWaalsContact O-CG1 3.25Å; N617-I621 WeakPolarHBondContact O-CG1 3.29Å; N617-I621 PolarHBondContact O-N 3.33Å; E618-I621 PolarHBondContact O-N 3.26Å; I621-S623 VanDerWaalsContact C-N 3.3Å; I621-S623 PolarHBondContact O-N 3.19Å; I621-Q624 PolarHBondContact O-N 3.06Å; I621-L625 HydrophobicContact CG2-CD1 3.95Å; I621-L625 HydrophobicContact CG2-CG 4.42Å; I621-L625 WeakPolarHBondContact O-CB 3.49Å; I621-L625 VanDerWaalsContact O-CG 3.3Å; I621-L625 WeakPolarHBondContact O-CG 3.48Å; I621-L625 PolarHBondContact O-N 3.35Å
622I75.6Confident75.7Confident85 Ų85100.5 Ų100.544%0.43653%0.533SS..Hα-helixtrans-60.8-40.4176-70.9165.3000110.7E618 L625 K626E618-I622 WeakPolarHBondContact O-CB 3.38Å; E618-I622 WeakPolarHBondContact O-CD1 3.5Å; E618-I622 VanDerWaalsContact O-CG1 3.22Å; E618-I622 WeakPolarHBondContact O-CG1 3.3Å; E618-I622 PolarHBondContact O-N 3.27Å; I622-L625 PolarHBondContact O-N 3.05Å; I622-K626 HydrophobicContact CG2-CD 4.35Å; I622-K626 WeakPolarHBondContact O-CG 3.37Å; I622-K626 PolarHBondContact O-N 2.86Å
623S80.7Confident77.1Confident60 Ų6099.9 Ų99.942%0.4253%0.526SS..Hα-helixtrans-66.7-43.1177.8-61.10000112L619 D620 I621 L625 K626 A627L619-S623 WeakPolarHBondContact O-CB 3.44Å; L619-S623 PolarHBondContact O-N 3.12Å; L619-S623 PolarHBondContact O-OG 3.42Å; D620-S623 PolarHBondContact O-N 3.5Å; I621-S623 VanDerWaalsContact C-N 3.3Å; I621-S623 PolarHBondContact O-N 3.19Å; S623-L625 PolarHBondContact O-N 3.31Å; S623-K626 PolarHBondContact O-N 3.02Å; S623-A627 PolarHBondContact O-N 3.5Å
624Q82.5Confident78.6Confident110 Ų11098.7 Ų98.751%0.51452%0.52SS..Hα-helixtrans-63.7-38.4173.1-71.2179.937.900112.6D620 I621 A627 K628D620-Q624 WeakPolarHBondContact O-CG 3.34Å; D620-Q624 PolarHBondContact O-N 3.42Å; I621-Q624 PolarHBondContact O-N 3.06Å; Q624-A627 PolarHBondContact O-N 2.97Å; Q624-K628 WeakPolarHBondContact O-CB 3.28Å; Q624-K628 WeakPolarHBondContact O-CG 3.49Å; Q624-K628 PolarHBondContact O-N 3.22Å
625L82.5Confident80Confident101 Ų10198.9 Ų98.953%0.52952%0.515SS..Hα-helixtrans-66.2-44.4176.2-74.4171.4000111.3I621 I622 S623 A627 K628 L629I621-L625 HydrophobicContact CG2-CD1 3.95Å; I621-L625 HydrophobicContact CG2-CG 4.42Å; I621-L625 WeakPolarHBondContact O-CB 3.49Å; I621-L625 VanDerWaalsContact O-CG 3.3Å; I621-L625 WeakPolarHBondContact O-CG 3.48Å; I621-L625 PolarHBondContact O-N 3.35Å; I622-L625 PolarHBondContact O-N 3.05Å; S623-L625 PolarHBondContact O-N 3.31Å; L625-A627 PolarHBondContact O-N 3.5Å; L625-K628 PolarHBondContact O-N 2.98Å; L625-L629 WeakPolarHBondContact O-CB 3.38Å; L625-L629 PolarHBondContact O-N 3.39Å
626K83.3Confident81Confident147 Ų14795.7 Ų95.764%0.63951%0.506SS*.Hα-helixtrans-58.3-44.5173.7-76.2176.6178.9177.10112.2I622 S623 L629 S630I622-K626 HydrophobicContact CG2-CD 4.35Å; I622-K626 WeakPolarHBondContact O-CG 3.37Å; I622-K626 PolarHBondContact O-N 2.86Å; S623-K626 PolarHBondContact O-N 3.02Å; K626-L629 PolarHBondContact O-N 2.87Å; K626-S630 PolarHBondContact O-N 3.17Å
627A83.9Confident82.1Confident62 Ų6298 Ų9851%0.51251%0.507SS..Hα-helixtrans-63.2-43176.800000112.5S623 Q624 L625 L629 S631S623-A627 PolarHBondContact O-N 3.5Å; Q624-A627 PolarHBondContact O-N 2.97Å; L625-A627 PolarHBondContact O-N 3.5Å; A627-L629 VanDerWaalsContact C-N 3.33Å; A627-L629 PolarHBondContact O-N 3.2Å; A627-S631 WeakPolarHBondContact O-CB 3.34Å; A627-S631 PolarHBondContact O-N 2.84Å
628K87.5Confident82.8Confident131 Ų13197 Ų9757%0.5750%0.504SS*.Hα-helixtrans-63.3-38174.3-75.8171.1-179.1169.30112.4Q624 L625 S631 M632Q624-K628 WeakPolarHBondContact O-CB 3.28Å; Q624-K628 WeakPolarHBondContact O-CG 3.49Å; Q624-K628 PolarHBondContact O-N 3.22Å; L625-K628 PolarHBondContact O-N 2.98Å; K628-S631 PolarHBondContact O-N 3.08Å; K628-M632 WeakPolarHBondContact O-CB 3.44Å; K628-M632 PolarHBondContact O-N 3.08Å
629L81.6Confident83.3Confident105 Ų10595.1 Ų95.155%0.5550%0.498SS..Hα-helixtrans-69.9-46.1-179-158.6142.6000111L625 K626 A627 S631 M632 E633L625-L629 WeakPolarHBondContact O-CB 3.38Å; L625-L629 PolarHBondContact O-N 3.39Å; K626-L629 PolarHBondContact O-N 2.87Å; A627-L629 VanDerWaalsContact C-N 3.33Å; A627-L629 PolarHBondContact O-N 3.2Å; L629-S631 PolarHBondContact O-N 2.7Å; L629-M632 WeakPolarHBondContact O-CB 3.46Å; L629-M632 PolarHBondContact O-N 2.94Å; L629-M632 VanDerWaalsContact O-N 3.1Å; L629-E633 HydrophobicContact CD2-CG 4.34Å; L629-E633 WeakPolarHBondContact CD2-OE1 3.47Å; L629-E633 WeakPolarHBondContact O-CG 3.25Å; L629-E633 PolarHBondContact O-N 3.43Å
630S87.9Confident83.8Confident59 Ų5995.3 Ų95.341%0.41350%0.497SS..Hα-helixtrans-58.3-44171.3168.50000112.5K626 M632 E633 D634K626-S630 PolarHBondContact O-N 3.17Å; S630-M632 VanDerWaalsContact C-N 3.29Å; S630-M632 PolarHBondContact O-N 3.04Å; S630-E633 PolarHBondContact O-N 3Å; S630-D634 PolarHBondContact O-N 3.44Å
631S86.6Confident84.3Confident79 Ų7993.3 Ų93.355%0.55249%0.494SS*.Hα-helixtrans-62.5-34.9174.8179.10000112.8A627 K628 L629 R635A627-S631 WeakPolarHBondContact O-CB 3.34Å; A627-S631 PolarHBondContact O-N 2.84Å; K628-S631 PolarHBondContact O-N 3.08Å; L629-S631 PolarHBondContact O-N 2.7Å; S631-R635 WeakPolarHBondContact O-CB 3.15Å; S631-R635 PolarHBondContact O-N 3.1Å
632M84.9Confident84.5Confident110 Ų11093.5 Ų93.554%0.54249%0.493SS..Hα-helixtrans-70.1-42.6175.3-164.6101.175.700111.7K628 L629 S630 R635 C636K628-M632 WeakPolarHBondContact O-CB 3.44Å; K628-M632 PolarHBondContact O-N 3.08Å; L629-M632 WeakPolarHBondContact O-CB 3.46Å; L629-M632 PolarHBondContact O-N 2.94Å; L629-M632 VanDerWaalsContact O-N 3.1Å; S630-M632 VanDerWaalsContact C-N 3.29Å; S630-M632 PolarHBondContact O-N 3.04Å; M632-R635 PolarHBondContact O-N 3.11Å; M632-C636 PolarHBondContact O-N 2.75Å; M632-C636 PolarHBondContact O-SG 2.85Å
633E85.5Confident84.8Confident99 Ų9992.2 Ų92.246%0.46350%0.495SS..Hα-helixtrans-59.4-47.5176.8-74.3177.1172.900111.9L629 S630 R635 C636 K637L629-E633 HydrophobicContact CD2-CG 4.34Å; L629-E633 WeakPolarHBondContact CD2-OE1 3.47Å; L629-E633 WeakPolarHBondContact O-CG 3.25Å; L629-E633 PolarHBondContact O-N 3.43Å; S630-E633 PolarHBondContact O-N 3Å; E633-R635 VanDerWaalsContact C-N 3.33Å; E633-R635 PolarHBondContact O-N 2.74Å; E633-C636 WeakPolarHBondContact O-CB 3.35Å; E633-C636 PolarHBondContact O-N 3.03Å; E633-K637 WeakPolarHBondContact O-CG 3.33Å; E633-K637 PolarHBondContact O-N 2.94Å
634D87.4Confident85.1Confident78 Ų7893.2 Ų93.242%0.41750%0.498SS..Hα-helixtrans-64.5-39.2178-71.4-24.9000111.6S630 C636 K637 T638S630-D634 PolarHBondContact O-N 3.44Å; D634-C636 VanDerWaalsContact C-N 3.31Å; D634-C636 PolarHBondContact O-N 3.4Å; D634-K637 WeakPolarHBondContact O-CB 3.38Å; D634-K637 PolarHBondContact O-N 2.99Å; D634-K637 VanDerWaalsContact O-N 3.16Å; D634-K637 IonicContact OD1-NZ 3.55Å; D634-K637 PolarHBondContact OD1-NZ 3.31Å; D634-T638 PolarHBondContact O-N 3.32Å; D634-T638 PolarHBondContact O-OG1 3.35Å
635R87Confident85.2Confident127 Ų12794.2 Ų94.248%0.47950%0.503SS..Hα-helixtrans-64.1-34.9173.8-159.417474.992.613.5112.5S631 M632 E633 L639S631-R635 WeakPolarHBondContact O-CB 3.15Å; S631-R635 PolarHBondContact O-N 3.1Å; M632-R635 PolarHBondContact O-N 3.11Å; E633-R635 VanDerWaalsContact C-N 3.33Å; E633-R635 PolarHBondContact O-N 2.74Å; R635-L639 WeakPolarHBondContact O-CB 3.18Å; R635-L639 VanDerWaalsContact O-CG 3.32Å; R635-L639 WeakPolarHBondContact O-CG 3.37Å; R635-L639 PolarHBondContact O-N 2.63Å
636C82.7Confident85.1Confident56 Ų5693.2 Ų93.238%0.37850%0.501SS..Hα-helixtrans-68.4-37.1172.6-75.80000112.4M632 E633 D634 L639 M640M632-C636 PolarHBondContact O-N 2.75Å; M632-C636 PolarHBondContact O-SG 2.85Å; E633-C636 WeakPolarHBondContact O-CB 3.35Å; E633-C636 PolarHBondContact O-N 3.03Å; D634-C636 VanDerWaalsContact C-N 3.31Å; D634-C636 PolarHBondContact O-N 3.4Å; C636-L639 PolarHBondContact O-N 3.02Å; C636-M640 PolarHBondContact O-N 3.45Å
637K89.1Confident85.1Confident119 Ų11991.7 Ų91.752%0.51750%0.496SS..Hα-helixtrans-62.3-45.3172.8-65.2166.4-158.9157.90111.2E633 D634 M640 A641E633-K637 WeakPolarHBondContact O-CG 3.33Å; E633-K637 PolarHBondContact O-N 2.94Å; D634-K637 WeakPolarHBondContact O-CB 3.38Å; D634-K637 PolarHBondContact O-N 2.99Å; D634-K637 VanDerWaalsContact O-N 3.16Å; D634-K637 IonicContact OD1-NZ 3.55Å; D634-K637 PolarHBondContact OD1-NZ 3.31Å; K637-M640 PolarHBondContact O-N 3.19Å; K637-A641 PolarHBondContact O-N 3.38Å
638T85.5Confident85.3Confident76 Ų7694.1 Ų94.147%0.46650%0.497SS..Hα-helixtrans-60.6-48.7176.3-51.60000111.7D634 M640 A641 E642D634-T638 PolarHBondContact O-N 3.32Å; D634-T638 PolarHBondContact O-OG1 3.35Å; T638-M640 VanDerWaalsContact C-N 3.32Å; T638-M640 PolarHBondContact O-N 3.16Å; T638-A641 WeakPolarHBondContact O-CB 3.25Å; T638-A641 PolarHBondContact O-N 3.01Å; T638-A641 VanDerWaalsContact O-N 3.1Å; T638-E642 WeakPolarHBondContact O-CG 3.26Å; T638-E642 PolarHBondContact O-N 2.97Å
639L83.1Confident85.2Confident82 Ų8290.5 Ų90.543%0.42949%0.491SS..Hα-helixtrans-62.1-36.2178.9-73.9167.7000112.9R635 C636 A643R635-L639 WeakPolarHBondContact O-CB 3.18Å; R635-L639 VanDerWaalsContact O-CG 3.32Å; R635-L639 WeakPolarHBondContact O-CG 3.37Å; R635-L639 PolarHBondContact O-N 2.63Å; C636-L639 PolarHBondContact O-N 3.02Å; L639-A643 WeakPolarHBondContact O-CB 3.34Å; L639-A643 PolarHBondContact O-N 3.46Å
640M85.9Confident84.9Confident127 Ų12790.3 Ų90.363%0.62649%0.491SS*.Hα-helixtrans-67.3-38.8173.1-78.5-165.3-91.200112.3C636 K637 T638 A643 V644C636-M640 PolarHBondContact O-N 3.45Å; K637-M640 PolarHBondContact O-N 3.19Å; T638-M640 VanDerWaalsContact C-N 3.32Å; T638-M640 PolarHBondContact O-N 3.16Å; M640-A643 PolarHBondContact O-N 2.98Å; M640-V644 WeakPolarHBondContact O-CG2 3.5Å; M640-V644 PolarHBondContact O-N 3.39Å; M640-V644 VanDerWaalsContact O-N 3.08Å
641A87.1Confident84.8Confident52 Ų5292.3 Ų92.343%0.4349%0.494SS..Hα-helixtrans-65.7-42.7175.300000112.3K637 T638 V644 Q645K637-A641 PolarHBondContact O-N 3.38Å; T638-A641 WeakPolarHBondContact O-CB 3.25Å; T638-A641 PolarHBondContact O-N 3.01Å; T638-A641 VanDerWaalsContact O-N 3.1Å; A641-V644 PolarHBondContact O-N 3.11Å; A641-Q645 WeakPolarHBondContact O-CG 3.18Å; A641-Q645 PolarHBondContact O-N 2.89Å
642E83.9Confident84.7Confident99 Ų9993.9 Ų93.946%0.46350%0.496SS..Hα-helixtrans-62.2-40.9174.5-72.7174.6175.600112T638 Q645 T646T638-E642 WeakPolarHBondContact O-CG 3.26Å; T638-E642 PolarHBondContact O-N 2.97Å; E642-Q645 PolarHBondContact O-N 3.42Å; E642-T646 WeakPolarHBondContact O-CB 3.48Å; E642-T646 PolarHBondContact O-N 3.34Å; E642-T646 PolarHBondContact O-OG1 2.94Å
643A82Confident84.8Confident58 Ų5893.3 Ų93.348%0.47949%0.494SS..Hα-helixtrans-62.2-44.3175.800000112.1L639 M640 T646 Q647L639-A643 WeakPolarHBondContact O-CB 3.34Å; L639-A643 PolarHBondContact O-N 3.46Å; M640-A643 PolarHBondContact O-N 2.98Å; A643-T646 PolarHBondContact O-N 3.45Å; A643-Q647 WeakPolarHBondContact O-CB 3.24Å; A643-Q647 PolarHBondContact O-N 3Å
644V87.4Confident84.8Confident80 Ų8094.6 Ų94.649%0.48550%0.499SS..Hα-helixtrans-64.6-43.5176.6171.50000111.7M640 A641 T646 Q647 Q648M640-V644 WeakPolarHBondContact O-CG2 3.5Å; M640-V644 PolarHBondContact O-N 3.39Å; M640-V644 VanDerWaalsContact O-N 3.08Å; A641-V644 PolarHBondContact O-N 3.11Å; V644-T646 VanDerWaalsContact C-N 3.35Å; V644-T646 PolarHBondContact O-N 3.44Å; V644-Q647 PolarHBondContact O-N 3.48Å; V644-Q648 WeakPolarHBondContact O-CG 3.3Å; V644-Q648 PolarHBondContact O-N 3.23Å
645Q85Confident84.7Confident132 Ų13293.8 Ų93.862%0.61750%0.499SS*.Hα-helixtrans-62.5-41.6175.2-74.1-177.22.700112.1A641 E642 Q647 Q648 A649A641-Q645 WeakPolarHBondContact O-CG 3.18Å; A641-Q645 PolarHBondContact O-N 2.89Å; E642-Q645 PolarHBondContact O-N 3.42Å; Q645-Q647 VanDerWaalsContact C-N 3.34Å; Q645-Q647 PolarHBondContact O-N 3.06Å; Q645-Q648 PolarHBondContact O-N 2.83Å; Q645-A649 WeakPolarHBondContact O-CB 3.32Å; Q645-A649 PolarHBondContact O-N 3.24Å
646T80.5Confident84.7Confident80 Ų8092.9 Ų92.949%0.49150%0.5SS..Hα-helixtrans-64.7-39.1177.5-550000111.3E642 A643 V644 A649 N650E642-T646 WeakPolarHBondContact O-CB 3.48Å; E642-T646 PolarHBondContact O-N 3.34Å; E642-T646 PolarHBondContact O-OG1 2.94Å; A643-T646 PolarHBondContact O-N 3.45Å; V644-T646 VanDerWaalsContact C-N 3.35Å; V644-T646 PolarHBondContact O-N 3.44Å; T646-A649 PolarHBondContact O-N 2.86Å; T646-N650 PolarHBondContact O-N 2.81Å; T646-N650 PolarHBondContact O-ND2 2.83Å
647Q82.4Confident84.5Confident115 Ų11594.8 Ų94.854%0.53751%0.506SS..Hα-helixtrans-64-47.5175-176175.8-18.400111.6A643 V644 Q645 A649 N650 E651A643-Q647 WeakPolarHBondContact O-CB 3.24Å; A643-Q647 PolarHBondContact O-N 3Å; V644-Q647 PolarHBondContact O-N 3.48Å; Q645-Q647 VanDerWaalsContact C-N 3.34Å; Q645-Q647 PolarHBondContact O-N 3.06Å; Q647-A649 VanDerWaalsContact C-N 3.33Å; Q647-A649 PolarHBondContact O-N 3.39Å; Q647-N650 PolarHBondContact O-N 3.47Å; Q647-E651 WeakPolarHBondContact CG-OE1 3.46Å; Q647-E651 PolarHBondContact NE2-OE1 2.91Å; Q647-E651 WeakPolarHBondContact O-CG 3.22Å; Q647-E651 PolarHBondContact O-N 2.95Å
648Q87.5Confident84.3Confident113 Ų11394.3 Ų94.353%0.52851%0.506SS..Hα-helixtrans-61.1-40.3176.2-72.5179.3-14.500112.4V644 Q645 E651 N652V644-Q648 WeakPolarHBondContact O-CG 3.3Å; V644-Q648 PolarHBondContact O-N 3.23Å; Q645-Q648 PolarHBondContact O-N 2.83Å; Q648-E651 PolarHBondContact O-N 3.23Å; Q648-N652 VanDerWaalsContact O-CG 3.28Å; Q648-N652 PolarHBondContact O-N 3.27Å; Q648-N652 PolarHBondContact O-ND2 3.14Å
649A85.5Confident84.4Confident55 Ų5593.8 Ų93.846%0.45551%0.505SS..Hα-helixtrans-62-42174.900000111.9Q645 T646 Q647 N652 L653Q645-A649 WeakPolarHBondContact O-CB 3.32Å; Q645-A649 PolarHBondContact O-N 3.24Å; T646-A649 PolarHBondContact O-N 2.86Å; Q647-A649 VanDerWaalsContact C-N 3.33Å; Q647-A649 PolarHBondContact O-N 3.39Å; A649-N652 PolarHBondContact O-N 3.5Å; A649-L653 WeakPolarHBondContact O-CB 3.28Å; A649-L653 PolarHBondContact O-N 2.99Å
650N76.5Confident84.3Confident100 Ų10093.3 Ų93.354%0.53550%0.501SS..Hα-helixtrans-67.2-38176-76.9-26.6000112.9T646 Q647 L653 K654T646-N650 PolarHBondContact O-N 2.81Å; T646-N650 PolarHBondContact O-ND2 2.83Å; Q647-N650 PolarHBondContact O-N 3.47Å; N650-L653 PolarHBondContact O-N 3.3Å; N650-K654 VanDerWaalsContact O-CB 3.22Å; N650-K654 WeakPolarHBondContact O-CB 3.35Å; N650-K654 PolarHBondContact O-N 3.01Å
651E84.6Confident83.7Confident102 Ų10292.2 Ų92.248%0.47750%0.497SS..Hα-helixtrans-66.2-39175.9-73170.6-169.600111.8Q647 Q648 S655Q647-E651 WeakPolarHBondContact CG-OE1 3.46Å; Q647-E651 PolarHBondContact NE2-OE1 2.91Å; Q647-E651 WeakPolarHBondContact O-CG 3.22Å; Q647-E651 PolarHBondContact O-N 2.95Å; Q648-E651 PolarHBondContact O-N 3.23Å; E651-S655 PolarHBondContact O-N 3.02Å; E651-S655 PolarHBondContact O-OG 3.18Å
652N86Confident83.5Confident112 Ų11292.3 Ų92.360%0.59950%0.497SS*.Hα-helixtrans-65.4-45.2172.1-70-26.6000112Q648 A649 K654 S655 Q656Q648-N652 VanDerWaalsContact O-CG 3.28Å; Q648-N652 PolarHBondContact O-N 3.27Å; Q648-N652 PolarHBondContact O-ND2 3.14Å; A649-N652 PolarHBondContact O-N 3.5Å; N652-K654 VanDerWaalsContact C-N 3.34Å; N652-K654 PolarHBondContact O-N 2.87Å; N652-S655 PolarHBondContact O-N 3.49Å; N652-S655 PolarHBondContact O-OG 3.3Å; N652-Q656 PolarHBondContact O-N 3.48Å
653L86Confident83.4Confident98 Ų9892 Ų9251%0.51350%0.499SS..Hα-helixtrans-64.5-40178.2-157.283000111.5A649 N650 Q656 L657A649-L653 WeakPolarHBondContact O-CB 3.28Å; A649-L653 PolarHBondContact O-N 2.99Å; N650-L653 PolarHBondContact O-N 3.3Å; L653-Q656 PolarHBondContact O-N 2.9Å; L653-L657 WeakPolarHBondContact O-CG 3.24Å; L653-L657 PolarHBondContact O-N 3.39Å
654K85.1Confident82.8Confident126 Ų12691.4 Ų91.455%0.54849%0.494SS..Hα-helixtrans-61.6-49.1176.8-176.1-172.1174.8-153.50111.6N650 N652 Q656 L657 E658N650-K654 VanDerWaalsContact O-CB 3.22Å; N650-K654 WeakPolarHBondContact O-CB 3.35Å; N650-K654 PolarHBondContact O-N 3.01Å; N652-K654 VanDerWaalsContact C-N 3.34Å; N652-K654 PolarHBondContact O-N 2.87Å; K654-Q656 VanDerWaalsContact C-N 3.31Å; K654-Q656 PolarHBondContact O-N 2.88Å; K654-L657 PolarHBondContact O-N 3.37Å; K654-E658 WeakPolarHBondContact CE-OE1 3.34Å; K654-E658 IonicContact NZ-OE1 2.82Å; K654-E658 PolarHBondContact NZ-OE1 3.44Å; K654-E658 WeakPolarHBondContact O-CG 3.5Å; K654-E658 PolarHBondContact O-N 3.4Å
655S86.3Confident82.5Confident61 Ų6193.4 Ų93.443%0.42750%0.498SS..Hα-helixtrans-66.7-31.8179.849.70000112.8E651 N652 S659E651-S655 PolarHBondContact O-N 3.02Å; E651-S655 PolarHBondContact O-OG 3.18Å; N652-S655 PolarHBondContact O-N 3.49Å; N652-S655 PolarHBondContact O-OG 3.3Å; S655-S659 PolarHBondContact O-N 3.33Å; S655-S659 VanDerWaalsContact O-N 3.16Å
656Q86.3Confident82.5Confident107 Ų10792 Ų9250%0.549%0.492SS..Hα-helixtrans-63.3-49.2168.7-177.5178.2-16.400111.7N652 L653 K654 E658 S659 E660N652-Q656 PolarHBondContact O-N 3.48Å; L653-Q656 PolarHBondContact O-N 2.9Å; K654-Q656 VanDerWaalsContact C-N 3.31Å; K654-Q656 PolarHBondContact O-N 2.88Å; Q656-E658 VanDerWaalsContact C-N 3.35Å; Q656-E658 PolarHBondContact O-N 2.78Å; Q656-S659 WeakPolarHBondContact O-CB 3.48Å; Q656-S659 PolarHBondContact O-N 3.34Å; Q656-S659 VanDerWaalsContact O-N 3.17Å; Q656-E660 WeakPolarHBondContact CG-OE1 3.36Å; Q656-E660 PolarHBondContact NE2-OE1 2.9Å; Q656-E660 WeakPolarHBondContact O-CG 3.31Å; Q656-E660 PolarHBondContact O-N 3.08Å
657L79.4Confident82.5Confident97 Ų9791.1 Ų91.151%0.50849%0.489SS..Hα-helixtrans-63.3-37179.2-71.9169.3000112.9L653 K654 S659 E660 L661L653-L657 WeakPolarHBondContact O-CG 3.24Å; L653-L657 PolarHBondContact O-N 3.39Å; K654-L657 PolarHBondContact O-N 3.37Å; L657-S659 VanDerWaalsContact C-N 3.35Å; L657-E660 PolarHBondContact O-N 3.42Å; L657-L661 VanDerWaalsContact O-CB 3.28Å; L657-L661 WeakPolarHBondContact O-CB 3.39Å; L657-L661 PolarHBondContact O-N 2.88Å
658E85Confident82Confident108 Ų10890 Ų9051%0.50549%0.489SS..Hα-helixtrans-63.5-39.2173.8-74.2174.4162.100111.7K654 Q656 A662K654-E658 WeakPolarHBondContact CE-OE1 3.34Å; K654-E658 IonicContact NZ-OE1 2.82Å; K654-E658 PolarHBondContact NZ-OE1 3.44Å; K654-E658 WeakPolarHBondContact O-CG 3.5Å; K654-E658 PolarHBondContact O-N 3.4Å; Q656-E658 VanDerWaalsContact C-N 3.35Å; Q656-E658 PolarHBondContact O-N 2.78Å; E658-A662 WeakPolarHBondContact O-CB 3.25Å; E658-A662 PolarHBondContact O-N 2.97Å; E658-A662 VanDerWaalsContact O-N 3.07Å
659S86.9Confident81.8Confident66 Ų6690.3 Ų90.346%0.46249%0.491SS..Hα-helixtrans-66.2-45.3173.8-179.40000112.6S655 Q656 L657 A662 N663S655-S659 PolarHBondContact O-N 3.33Å; S655-S659 VanDerWaalsContact O-N 3.16Å; Q656-S659 WeakPolarHBondContact O-CB 3.48Å; Q656-S659 PolarHBondContact O-N 3.34Å; Q656-S659 VanDerWaalsContact O-N 3.17Å; L657-S659 VanDerWaalsContact C-N 3.35Å; S659-A662 PolarHBondContact O-N 2.91Å; S659-N663 PolarHBondContact O-N 2.84Å; S659-N663 PolarHBondContact O-ND2 2.87Å; S659-N663 VanDerWaalsContact O-ND2 3.07Å
660E80.4Confident81.7Confident72 Ų7292.8 Ų92.834%0.33649%0.491SS..Hα-helixtrans-63.5-41.5177.7-72.4174.8-167.300111.6Q656 L657 N663 A664Q656-E660 WeakPolarHBondContact CG-OE1 3.36Å; Q656-E660 PolarHBondContact NE2-OE1 2.9Å; Q656-E660 WeakPolarHBondContact O-CG 3.31Å; Q656-E660 PolarHBondContact O-N 3.08Å; L657-E660 PolarHBondContact O-N 3.42Å; E660-N663 PolarHBondContact O-N 3.21Å; E660-A664 WeakPolarHBondContact O-CB 3.45Å; E660-A664 PolarHBondContact O-N 3.36Å
661L74.1Confident81.7Confident104 Ų10492.8 Ų92.855%0.54549%0.491SS..Hα-helixtrans-62.4-43.7175.3-178.362.4000112.2L657 A664 Q665L657-L661 VanDerWaalsContact O-CB 3.28Å; L657-L661 WeakPolarHBondContact O-CB 3.39Å; L657-L661 PolarHBondContact O-N 2.88Å; L661-A664 PolarHBondContact O-N 2.93Å; L661-Q665 HydrophobicContact CD1-CG 4.49Å; L661-Q665 WeakPolarHBondContact O-CB 3.21Å; L661-Q665 VanDerWaalsContact O-CG 3.32Å; L661-Q665 WeakPolarHBondContact O-CG 3.37Å; L661-Q665 PolarHBondContact O-N 3.27Å
662A83.9Confident81.5Confident53 Ų5391.3 Ų91.344%0.43849%0.492SS..Hα-helixtrans-63.3-41.2177.100000112.1E658 S659 Q665 Q666E658-A662 WeakPolarHBondContact O-CB 3.25Å; E658-A662 PolarHBondContact O-N 2.97Å; E658-A662 VanDerWaalsContact O-N 3.07Å; S659-A662 PolarHBondContact O-N 2.91Å; A662-Q665 PolarHBondContact O-N 2.98Å; A662-Q666 PolarHBondContact O-N 2.79Å
663N80.7Confident81.5Confident93 Ų9390.6 Ų90.650%0.49749%0.485SS..Hα-helixtrans-65.2-40.4175.3-71.2-37000112S659 E660 S667S659-N663 PolarHBondContact O-N 2.84Å; S659-N663 PolarHBondContact O-ND2 2.87Å; S659-N663 VanDerWaalsContact O-ND2 3.07Å; E660-N663 PolarHBondContact O-N 3.21Å; N663-S667 WeakPolarHBondContact O-CB 3.42Å; N663-S667 PolarHBondContact O-N 3.2Å; N663-S667 PolarHBondContact O-OG 3.34Å
664A70.1Confident81.4Confident46 Ų4689.5 Ų89.538%0.3848%0.477SS..Hα-helixtrans-63.6-45.9174.900000111.7E660 L661 Q666 S667 V668E660-A664 WeakPolarHBondContact O-CB 3.45Å; E660-A664 PolarHBondContact O-N 3.36Å; L661-A664 PolarHBondContact O-N 2.93Å; A664-Q666 PolarHBondContact O-N 2.87Å; A664-S667 WeakPolarHBondContact O-CB 3.44Å; A664-S667 PolarHBondContact O-N 2.92Å; A664-S667 VanDerWaalsContact O-N 3.14Å; A664-V668 WeakPolarHBondContact O-CG2 3.18Å; A664-V668 PolarHBondContact O-N 3.3Å
665Q80.3Confident81.1Confident121 Ų12187.3 Ų87.357%0.56547%0.474SS*.Hα-helixtrans-59-45.8176.3-74.7174.7-8.900112.1L661 A662 S667 V668 Q669L661-Q665 HydrophobicContact CD1-CG 4.49Å; L661-Q665 WeakPolarHBondContact O-CB 3.21Å; L661-Q665 VanDerWaalsContact O-CG 3.32Å; L661-Q665 WeakPolarHBondContact O-CG 3.37Å; L661-Q665 PolarHBondContact O-N 3.27Å; A662-Q665 PolarHBondContact O-N 2.98Å; Q665-S667 VanDerWaalsContact C-N 3.27Å; Q665-S667 PolarHBondContact O-N 3.01Å; Q665-V668 PolarHBondContact O-N 2.81Å; Q665-Q669 PolarHBondContact O-N 2.83Å
666Q85.8Confident81Confident104 Ų10487.2 Ų87.249%0.48648%0.477SS..Hα-helixtrans-62.1-36.2176-166.6-168.37900112.1A662 A664 Q669 K670A662-Q666 PolarHBondContact O-N 2.79Å; A664-Q666 PolarHBondContact O-N 2.87Å; Q666-Q669 PolarHBondContact O-N 3.42Å; Q666-K670 WeakPolarHBondContact O-CG 3.35Å; Q666-K670 PolarHBondContact O-N 2.83Å; Q666-K670 VanDerWaalsContact O-N 3.1Å
667S80Confident80.9Confident60 Ų6088.9 Ų88.942%0.4248%0.479SS..Hα-helixtrans-70.6-42179-57.60000111.9N663 A664 Q665 Q669 K670 L671N663-S667 WeakPolarHBondContact O-CB 3.42Å; N663-S667 PolarHBondContact O-N 3.2Å; N663-S667 PolarHBondContact O-OG 3.34Å; A664-S667 WeakPolarHBondContact O-CB 3.44Å; A664-S667 PolarHBondContact O-N 2.92Å; A664-S667 VanDerWaalsContact O-N 3.14Å; Q665-S667 VanDerWaalsContact C-N 3.27Å; Q665-S667 PolarHBondContact O-N 3.01Å; S667-Q669 VanDerWaalsContact C-N 3.32Å; S667-Q669 PolarHBondContact O-N 3.06Å; S667-K670 PolarHBondContact O-N 3.32Å; S667-L671 WeakPolarHBondContact O-CG 3.35Å; S667-L671 PolarHBondContact O-N 3.49Å
668V72.2Confident80.8Confident92 Ų9290.3 Ų90.356%0.55848%0.483SS*.Hα-helixtrans-61.8-39.1173.1170.20000111.5A664 Q665 L671 S672A664-V668 WeakPolarHBondContact O-CG2 3.18Å; A664-V668 PolarHBondContact O-N 3.3Å; Q665-V668 PolarHBondContact O-N 2.81Å; V668-L671 PolarHBondContact O-N 3.34Å; V668-S672 WeakPolarHBondContact O-CB 3.49Å; V668-S672 PolarHBondContact O-N 3.22Å; V668-S672 PolarHBondContact O-OG 3.17Å
669Q82.8Confident80.7Confident119 Ų11992.4 Ų92.456%0.55649%0.49SS*.Hα-helixtrans-63.4-49175.9-173.2175.3-7.300111.8Q665 Q666 S667 L671 S672 E673Q665-Q669 PolarHBondContact O-N 2.83Å; Q666-Q669 PolarHBondContact O-N 3.42Å; S667-Q669 VanDerWaalsContact C-N 3.32Å; S667-Q669 PolarHBondContact O-N 3.06Å; Q669-L671 VanDerWaalsContact C-N 3.35Å; Q669-L671 PolarHBondContact O-N 2.84Å; Q669-S672 WeakPolarHBondContact O-CB 3.35Å; Q669-S672 PolarHBondContact O-N 2.93Å; Q669-S672 VanDerWaalsContact O-N 3.12Å; Q669-E673 PolarHBondContact NE2-OE1 3.38Å; Q669-E673 PolarHBondContact O-N 2.8Å
670K84.2Confident80.7Confident107 Ų10795.1 Ų95.147%0.46550%0.496SS..Hα-helixtrans-57.8-44.3175.5-74.2168.8176.4164.90112.4Q666 S667 S672 E673 E674Q666-K670 WeakPolarHBondContact O-CG 3.35Å; Q666-K670 PolarHBondContact O-N 2.83Å; Q666-K670 VanDerWaalsContact O-N 3.1Å; S667-K670 PolarHBondContact O-N 3.32Å; K670-S672 VanDerWaalsContact C-N 3.31Å; K670-S672 PolarHBondContact O-N 2.85Å; K670-E673 PolarHBondContact O-N 2.79Å; K670-E674 PolarHBondContact O-N 2.88Å
671L75.6Confident80.9Confident101 Ų10195.1 Ų95.153%0.52950%0.501SS..Hα-helixtrans-63.8-36.4176.5-72.9170.6000112.1S667 V668 Q669 E674 V675S667-L671 WeakPolarHBondContact O-CG 3.35Å; S667-L671 PolarHBondContact O-N 3.49Å; V668-L671 PolarHBondContact O-N 3.34Å; Q669-L671 VanDerWaalsContact C-N 3.35Å; Q669-L671 PolarHBondContact O-N 2.84Å; L671-E674 PolarHBondContact O-N 3.39Å; L671-V675 WeakPolarHBondContact O-CB 3.37Å; L671-V675 VanDerWaalsContact O-CG2 3.31Å; L671-V675 WeakPolarHBondContact O-CG2 3.49Å; L671-V675 PolarHBondContact O-N 3.33Å
672S80.6Confident81Confident70 Ų7092.3 Ų92.349%0.4949%0.492SS..Hα-helixtrans-65.4-39.9175.8-57.90000111.8V668 Q669 K670 V675 A676V668-S672 WeakPolarHBondContact O-CB 3.49Å; V668-S672 PolarHBondContact O-N 3.22Å; V668-S672 PolarHBondContact O-OG 3.17Å; Q669-S672 WeakPolarHBondContact O-CB 3.35Å; Q669-S672 PolarHBondContact O-N 2.93Å; Q669-S672 VanDerWaalsContact O-N 3.12Å; K670-S672 VanDerWaalsContact C-N 3.31Å; K670-S672 PolarHBondContact O-N 2.85Å; S672-V675 PolarHBondContact O-N 2.9Å; S672-A676 WeakPolarHBondContact O-CB 3.35Å; S672-A676 PolarHBondContact O-N 2.86Å
673E86.6Confident81.1Confident97 Ų9797.6 Ų97.645%0.45350%0.502SS..Hα-helixtrans-69.9-32.7174.5-67.9169.5-166.100113Q669 K670 R677Q669-E673 PolarHBondContact NE2-OE1 3.38Å; Q669-E673 PolarHBondContact O-N 2.8Å; K670-E673 PolarHBondContact O-N 2.79Å; E673-R677 PolarHBondContact O-N 2.95Å; E673-R677 PolarHBondContact O-NE 3.24Å; E673-R677 VanDerWaalsContact O-NE 3.12Å
674E83.5Confident81.5Confident75 Ų7597.5 Ų97.535%0.3550%0.502SS..Hα-helixtrans-66.6-48.3170.1-79.4-178.4-15400111.4R527 K670 L671 A676 R677 E678R527-E674 IonicContact NH1-OE2 3.02Å; R527-E674 PolarHBondContact NH1-OE2 3.48Å; R527-E674 VanDerWaalsContact NH1-OE2 3.14Å; K670-E674 PolarHBondContact O-N 2.88Å; L671-E674 PolarHBondContact O-N 3.39Å; E674-A676 VanDerWaalsContact C-N 3.3Å; E674-A676 PolarHBondContact O-N 3.16Å; E674-R677 PolarHBondContact O-N 3.11Å; E674-E678 PolarHBondContact O-N 3.48Å
675V77.8Confident82.1Confident80 Ų8098.3 Ų98.349%0.48551%0.505SS..Hα-helixtrans-63.4-34.9178.4169.30000112.1L671 S672 K679L671-V675 WeakPolarHBondContact O-CB 3.37Å; L671-V675 VanDerWaalsContact O-CG2 3.31Å; L671-V675 WeakPolarHBondContact O-CG2 3.49Å; L671-V675 PolarHBondContact O-N 3.33Å; S672-V675 PolarHBondContact O-N 2.9Å; V675-K679 HydrophobicContact CG1-CD 4.46Å; V675-K679 WeakPolarHBondContact O-CG 3.39Å; V675-K679 PolarHBondContact O-N 2.85Å
676A85.2Confident82.2Confident60 Ų6096.3 Ų96.350%0.49650%0.501SS..Hα-helixtrans-63.9-47.3174.600000111.8S672 E674 E678 K679 E680S672-A676 WeakPolarHBondContact O-CB 3.35Å; S672-A676 PolarHBondContact O-N 2.86Å; E674-A676 VanDerWaalsContact C-N 3.3Å; E674-A676 PolarHBondContact O-N 3.16Å; A676-E678 PolarHBondContact O-N 3.29Å; A676-K679 PolarHBondContact O-N 3.46Å; A676-E680 PolarHBondContact O-N 2.85Å
677R83.9Confident82.3Confident141 Ų14198.1 Ų98.153%0.53250%0.504SS..Hα-helixtrans-62.4-40.6175.6-77.4178.4-74.5136.7-9112.3E673 E674 K679 E680 T681E673-R677 PolarHBondContact O-N 2.95Å; E673-R677 PolarHBondContact O-NE 3.24Å; E673-R677 VanDerWaalsContact O-NE 3.12Å; E674-R677 PolarHBondContact O-N 3.11Å; R677-K679 VanDerWaalsContact C-N 3.33Å; R677-K679 PolarHBondContact O-N 3.27Å; R677-E680 WeakPolarHBondContact O-CB 3.25Å; R677-E680 PolarHBondContact O-N 3.49Å; R677-E680 VanDerWaalsContact O-N 3.13Å; R677-T681 PolarHBondContact O-N 2.79Å; R677-T681 PolarHBondContact O-OG1 3.46Å
678E77.6Confident82.8Confident128 Ų128100.6 Ų100.660%0.59850%0.504SS*.Hα-helixtrans-68.4-31.5179.4-163.257.4-133.800112.7E674 A676 E680 T681 A682E674-E678 PolarHBondContact O-N 3.48Å; A676-E678 PolarHBondContact O-N 3.29Å; E678-E680 VanDerWaalsContact C-N 3.32Å; E678-T681 VanDerWaalsContact CA-OG1 3.32Å; E678-T681 WeakPolarHBondContact CA-OG1 3.35Å; E678-T681 PolarHBondContact O-OG1 3.13Å; E678-T681 PolarHBondContact OE1-OG1 3.03Å; E678-A682 VanDerWaalsContact O-CB 3.23Å; E678-A682 WeakPolarHBondContact O-CB 3.26Å; E678-A682 PolarHBondContact O-N 2.81Å
679K82Confident83.3Confident151 Ų151100.6 Ų100.666%0.65750%0.504SS*.Hα-helixtrans-66.3-35.8170.7-77.2177.5177.8-179.10112.1V675 A676 R677 Y683V675-K679 HydrophobicContact CG1-CD 4.46Å; V675-K679 WeakPolarHBondContact O-CG 3.39Å; V675-K679 PolarHBondContact O-N 2.85Å; A676-K679 PolarHBondContact O-N 3.46Å; R677-K679 VanDerWaalsContact C-N 3.33Å; R677-K679 PolarHBondContact O-N 3.27Å; K679-Y683 WeakPolarHBondContact O-CB 3.09Å; K679-Y683 PolarHBondContact O-N 3.44Å
680E88.5Confident83.6Confident124 Ų124100.8 Ų100.858%0.57951%0.505SS*.Hα-helixtrans-70.7-42.7177.4-168.7177.8178.200112A676 R677 E678 Y683 N684A676-E680 PolarHBondContact O-N 2.85Å; R677-E680 WeakPolarHBondContact O-CB 3.25Å; R677-E680 PolarHBondContact O-N 3.49Å; R677-E680 VanDerWaalsContact O-N 3.13Å; E678-E680 VanDerWaalsContact C-N 3.32Å; E680-Y683 PolarHBondContact O-N 2.89Å; E680-N684 WeakPolarHBondContact O-CB 3.33Å; E680-N684 VanDerWaalsContact O-CG 3.28Å; E680-N684 PolarHBondContact O-N 3.36Å; E680-N684 PolarHBondContact O-ND2 2.82Å; E680-N684 VanDerWaalsContact O-ND2 3.17Å
681T84.4Confident84Confident72 Ų7299.2 Ų99.244%0.44250%0.5SS..Hα-helixtrans-63.6-41.7173.453.30000111.9R677 E678 N684 S685R677-T681 PolarHBondContact O-N 2.79Å; R677-T681 PolarHBondContact O-OG1 3.46Å; E678-T681 VanDerWaalsContact CA-OG1 3.32Å; E678-T681 WeakPolarHBondContact CA-OG1 3.35Å; E678-T681 PolarHBondContact O-OG1 3.13Å; E678-T681 PolarHBondContact OE1-OG1 3.03Å; T681-N684 PolarHBondContact O-N 2.87Å; T681-S685 WeakPolarHBondContact O-CB 3.4Å; T681-S685 PolarHBondContact O-N 3.48Å; T681-S685 PolarHBondContact O-OG 3.43Å
682A75.7Confident84.5Confident44 Ų4497.9 Ų97.936%0.36449%0.493SS..Hα-helixtrans-63.5-39.4174.600000112.8E678 S685 T686E678-A682 VanDerWaalsContact O-CB 3.23Å; E678-A682 WeakPolarHBondContact O-CB 3.26Å; E678-A682 PolarHBondContact O-N 2.81Å; A682-S685 WeakPolarHBondContact CA-OG 3.25Å; A682-S685 PolarHBondContact O-OG 3.41Å; A682-T686 WeakPolarHBondContact O-CB 3.36Å; A682-T686 PolarHBondContact O-N 3.35Å; A682-T686 PolarHBondContact O-OG1 2.88Å
683Y85.4Confident84.8Confident164 Ų16497.9 Ų97.964%0.64349%0.49SS*.Hα-helixtrans-66.2-48.6175.6-175.2-95.4000111.8K679 E680 S685 T686 Y687K679-Y683 WeakPolarHBondContact O-CB 3.09Å; K679-Y683 PolarHBondContact O-N 3.44Å; E680-Y683 PolarHBondContact O-N 2.89Å; Y683-S685 PolarHBondContact O-N 3.05Å; Y683-T686 PolarHBondContact O-N 3.11Å; Y683-Y687 PolarHBondContact O-N 3.43Å
684N89.2Confident85Confident91 Ų9196.2 Ų96.249%0.48749%0.492SS..Hα-helixtrans-62.9-40.6179.9-73-30.8000112.6E680 T681 R688E680-N684 WeakPolarHBondContact O-CB 3.33Å; E680-N684 VanDerWaalsContact O-CG 3.28Å; E680-N684 PolarHBondContact O-N 3.36Å; E680-N684 PolarHBondContact O-ND2 2.82Å; E680-N684 VanDerWaalsContact O-ND2 3.17Å; T681-N684 PolarHBondContact O-N 2.87Å; N684-R688 WeakPolarHBondContact O-CB 3.49Å; N684-R688 PolarHBondContact O-N 2.92Å
685S82.5Confident85.5Confident64 Ų6496.7 Ų96.745%0.44850%0.495SS..Hα-helixtrans-67.4-40.8174.853.20000112.3T681 A682 Y683 Y687 R688 V689T681-S685 WeakPolarHBondContact O-CB 3.4Å; T681-S685 PolarHBondContact O-N 3.48Å; T681-S685 PolarHBondContact O-OG 3.43Å; A682-S685 WeakPolarHBondContact CA-OG 3.25Å; A682-S685 PolarHBondContact O-OG 3.41Å; Y683-S685 PolarHBondContact O-N 3.05Å; S685-Y687 PolarHBondContact O-N 3.46Å; S685-R688 PolarHBondContact O-N 3.04Å; S685-V689 WeakPolarHBondContact O-CG2 3.33Å; S685-V689 PolarHBondContact O-N 2.85Å
686T83Confident86Confident79 Ų7996.5 Ų96.549%0.48549%0.494SS..Hα-helixtrans-60.1-46174.3-58.90000111.5A682 Y683 R688 V689 Q690A682-T686 WeakPolarHBondContact O-CB 3.36Å; A682-T686 PolarHBondContact O-N 3.35Å; A682-T686 PolarHBondContact O-OG1 2.88Å; Y683-T686 PolarHBondContact O-N 3.11Å; T686-R688 VanDerWaalsContact C-N 3.35Å; T686-R688 PolarHBondContact O-N 3.39Å; T686-V689 PolarHBondContact O-N 2.81Å; T686-Q690 WeakPolarHBondContact O-CG 3.41Å; T686-Q690 PolarHBondContact O-N 2.74Å
687Y87.9Confident86.2Confident141 Ų14197.8 Ų97.855%0.55349%0.492SS*.Hα-helixtrans-59.8-44.4175.6-175.2-92.4000111.6Y683 S685 V689 Q690 E691Y683-Y687 PolarHBondContact O-N 3.43Å; S685-Y687 PolarHBondContact O-N 3.46Å; Y687-V689 VanDerWaalsContact C-N 3.35Å; Y687-V689 PolarHBondContact O-N 3.46Å; Y687-Q690 PolarHBondContact O-N 2.92Å; Y687-E691 PolarHBondContact O-N 3.22Å
688R90.7Very high86.7Confident113 Ų11396.2 Ų96.243%0.42649%0.49SS..Hα-helixtrans-64.4-36.4177.8-175.856.8180163.54.5112.9N684 S685 T686 E691 L692N684-R688 WeakPolarHBondContact O-CB 3.49Å; N684-R688 PolarHBondContact O-N 2.92Å; S685-R688 PolarHBondContact O-N 3.04Å; T686-R688 VanDerWaalsContact C-N 3.35Å; T686-R688 PolarHBondContact O-N 3.39Å; R688-E691 WeakPolarHBondContact CD-OE2 3.42Å; R688-E691 IonicContact CZ-OE2 3.33Å; R688-E691 IonicContact NH1-OE1 3.93Å; R688-E691 PolarHBondContact NH1-OE1 3.31Å; R688-E691 VanDerWaalsContact NH1-OE1 3.11Å; R688-E691 IonicContact NH1-OE2 3.91Å; R688-E691 PolarHBondContact NH1-OE2 2.93Å; R688-E691 PolarHBondContact O-N 2.7Å; R688-L692 HydrophobicContact CG-CD1 4.19Å; R688-L692 WeakPolarHBondContact O-CB 3.24Å; R688-L692 VanDerWaalsContact O-CG 3.32Å; R688-L692 WeakPolarHBondContact O-CG 3.34Å; R688-L692 PolarHBondContact O-N 2.89Å
689V82.6Confident87.3Confident91 Ų9195.6 Ų95.655%0.55249%0.491SS*.Hα-helixtrans-65.4-41.6173.91690000111.1S685 T686 Y687 L692 T693S685-V689 WeakPolarHBondContact O-CG2 3.33Å; S685-V689 PolarHBondContact O-N 2.85Å; T686-V689 PolarHBondContact O-N 2.81Å; Y687-V689 VanDerWaalsContact C-N 3.35Å; Y687-V689 PolarHBondContact O-N 3.46Å; V689-L692 PolarHBondContact O-N 2.82Å; V689-T693 WeakPolarHBondContact O-CB 3.4Å; V689-T693 PolarHBondContact O-N 3.33Å; V689-T693 PolarHBondContact O-OG1 2.98Å
690Q88.8Confident87.6Confident123 Ų12394 Ų9458%0.57549%0.486SS*.Hα-helixtrans-62.7-44.6175.2-69.8175.31.200111.8T686 Y687 T693 A694T686-Q690 WeakPolarHBondContact O-CG 3.41Å; T686-Q690 PolarHBondContact O-N 2.74Å; Y687-Q690 PolarHBondContact O-N 2.92Å; Q690-T693 PolarHBondContact O-N 3.47Å; Q690-A694 PolarHBondContact O-N 3.29Å
691E92.4Very high87.8Confident75 Ų7591.3 Ų91.335%0.3548%0.478SS..Hα-helixtrans-60.9-47.1176.9-165.9-159.2161.300111.9Y687 R688 T693 A694 Q695Y687-E691 PolarHBondContact O-N 3.22Å; R688-E691 WeakPolarHBondContact CD-OE2 3.42Å; R688-E691 IonicContact CZ-OE2 3.33Å; R688-E691 IonicContact NH1-OE1 3.93Å; R688-E691 PolarHBondContact NH1-OE1 3.31Å; R688-E691 VanDerWaalsContact NH1-OE1 3.11Å; R688-E691 IonicContact NH1-OE2 3.91Å; R688-E691 PolarHBondContact NH1-OE2 2.93Å; R688-E691 PolarHBondContact O-N 2.7Å; E691-T693 VanDerWaalsContact C-N 3.34Å; E691-T693 PolarHBondContact O-N 3.08Å; E691-A694 PolarHBondContact O-N 2.84Å; E691-Q695 WeakPolarHBondContact O-CG 3.31Å; E691-Q695 PolarHBondContact O-N 3.12Å; E691-Q695 PolarHBondContact OE1-NE2 2.95Å; E691-Q695 VanDerWaalsContact OE1-NE2 3.15Å
692L87.2Confident88.3Confident73 Ų7390.9 Ų90.938%0.38247%0.473SS..Hα-helixtrans-63.6-38.5176-74171.1000112.1R688 V689 A694 Q695 V696R688-L692 HydrophobicContact CG-CD1 4.19Å; R688-L692 WeakPolarHBondContact O-CB 3.24Å; R688-L692 VanDerWaalsContact O-CG 3.32Å; R688-L692 WeakPolarHBondContact O-CG 3.34Å; R688-L692 PolarHBondContact O-N 2.89Å; V689-L692 PolarHBondContact O-N 2.82Å; L692-A694 VanDerWaalsContact C-N 3.34Å; L692-A694 PolarHBondContact O-N 3.4Å; L692-Q695 PolarHBondContact O-N 3.21Å; L692-V696 WeakPolarHBondContact O-CG2 3.27Å; L692-V696 PolarHBondContact O-N 2.78Å
693T86.9Confident88.8Confident70 Ų7092.6 Ų92.643%0.42948%0.476SS..Hα-helixtrans-62.9-41.9175.6-56.60000111.1V689 Q690 E691 V696 N697V689-T693 WeakPolarHBondContact O-CB 3.4Å; V689-T693 PolarHBondContact O-N 3.33Å; V689-T693 PolarHBondContact O-OG1 2.98Å; Q690-T693 PolarHBondContact O-N 3.47Å; E691-T693 VanDerWaalsContact C-N 3.34Å; E691-T693 PolarHBondContact O-N 3.08Å; T693-V696 PolarHBondContact O-N 2.87Å; T693-N697 PolarHBondContact O-N 3.35Å; T693-N697 PolarHBondContact O-ND2 2.84Å; T693-N697 PolarHBondContact O-OD1 3.3Å
694A91Very high89Confident61 Ų6187.6 Ų87.650%0.50446%0.464SS..Hα-helixtrans-63.7-41.2174.900000112.2Q690 E691 L692 N697 Q698Q690-A694 PolarHBondContact O-N 3.29Å; E691-A694 PolarHBondContact O-N 2.84Å; L692-A694 VanDerWaalsContact C-N 3.34Å; L692-A694 PolarHBondContact O-N 3.4Å; A694-N697 PolarHBondContact O-N 3.31Å; A694-Q698 PolarHBondContact O-N 3.46Å
695Q94Very high89.1Confident86 Ų8687.7 Ų87.740%0.40246%0.462SS..Hα-helixtrans-63.4-41.4175.6-70.1174.519.500112.3E691 L692 Q698 L699E691-Q695 WeakPolarHBondContact O-CG 3.31Å; E691-Q695 PolarHBondContact O-N 3.12Å; E691-Q695 PolarHBondContact OE1-NE2 2.95Å; E691-Q695 VanDerWaalsContact OE1-NE2 3.15Å; L692-Q695 PolarHBondContact O-N 3.21Å; Q695-Q698 PolarHBondContact O-N 2.72Å; Q695-L699 WeakPolarHBondContact O-CG 3.37Å; Q695-L699 PolarHBondContact O-N 3.44Å
696V87.6Confident89.4Confident76 Ų7688.8 Ų88.846%0.46147%0.466SS..Hα-helixtrans-62.2-48.81751700000110.9L692 T693 Q698 L699 E700L692-V696 WeakPolarHBondContact O-CG2 3.27Å; L692-V696 PolarHBondContact O-N 2.78Å; T693-V696 PolarHBondContact O-N 2.87Å; V696-Q698 VanDerWaalsContact C-N 3.28Å; V696-Q698 PolarHBondContact O-N 2.74Å; V696-L699 PolarHBondContact O-N 3.49Å; V696-L699 VanDerWaalsContact O-N 3.13Å; V696-E700 HydrophobicContact CG1-CG 4.45Å; V696-E700 WeakPolarHBondContact O-CG 3.32Å; V696-E700 PolarHBondContact O-N 3.02Å
697N89.9Confident89.6Confident86 Ų8691.8 Ų91.846%0.4647%0.469SS..Hα-helixtrans-60.1-37.1178.7-67.2-14.7000112.4T693 A694 T701T693-N697 PolarHBondContact O-N 3.35Å; T693-N697 PolarHBondContact O-ND2 2.84Å; T693-N697 PolarHBondContact O-OD1 3.3Å; A694-N697 PolarHBondContact O-N 3.31Å; N697-T701 PolarHBondContact O-N 3.01Å; N697-T701 VanDerWaalsContact O-N 3.1Å; N697-T701 PolarHBondContact O-OG1 3.47Å
698Q92.8Very high89.6Confident108 Ų10890.4 Ų90.451%0.50547%0.468SS..Hα-helixtrans-65.5-47.6174.2-17461.848.700111.2A694 Q695 V696 E700 T701 D702A694-Q698 PolarHBondContact O-N 3.46Å; Q695-Q698 PolarHBondContact O-N 2.72Å; V696-Q698 VanDerWaalsContact C-N 3.28Å; V696-Q698 PolarHBondContact O-N 2.74Å; Q698-E700 VanDerWaalsContact C-N 3.32Å; Q698-E700 PolarHBondContact O-N 2.93Å; Q698-T701 WeakPolarHBondContact O-CA 3.43Å; Q698-T701 WeakPolarHBondContact O-CB 3.47Å; Q698-T701 PolarHBondContact O-N 2.97Å; Q698-D702 PolarHBondContact NE2-OD1 2.83Å; Q698-D702 VanDerWaalsContact O-CG 3.28Å; Q698-D702 PolarHBondContact O-N 3.46Å
699L90.9Very high89.5Confident116 Ų11690.8 Ų90.861%0.60748%0.475SS*.Hα-helixtrans-61.7-37.1178-72170.3000112.6Q695 V696 T701 L703Q695-L699 WeakPolarHBondContact O-CG 3.37Å; Q695-L699 PolarHBondContact O-N 3.44Å; V696-L699 PolarHBondContact O-N 3.49Å; V696-L699 VanDerWaalsContact O-N 3.13Å; L699-T701 VanDerWaalsContact C-N 3.33Å; L699-L703 WeakPolarHBondContact O-CB 3.4Å; L699-L703 PolarHBondContact O-N 3.22Å
700E89.2Confident89.4Confident117 Ų11791.5 Ų91.555%0.54748%0.475SS..Hα-helixtrans-65.2-36.5173.2-71.5-171.7156.400112.4V696 Q698 S704V696-E700 HydrophobicContact CG1-CG 4.45Å; V696-E700 WeakPolarHBondContact O-CG 3.32Å; V696-E700 PolarHBondContact O-N 3.02Å; Q698-E700 VanDerWaalsContact C-N 3.32Å; Q698-E700 PolarHBondContact O-N 2.93Å; E700-S704 WeakPolarHBondContact O-CB 3.16Å; E700-S704 PolarHBondContact O-N 2.85Å; E700-S704 VanDerWaalsContact O-N 3.08Å; E700-S704 PolarHBondContact O-OG 2.98Å
701T91.9Very high89.1Confident67 Ų6790.8 Ų90.841%0.41148%0.475SS..Hα-helixtrans-67.5-49.3175.4-56.50000111N697 Q698 L699 L703 S704 Q705N697-T701 PolarHBondContact O-N 3.01Å; N697-T701 VanDerWaalsContact O-N 3.1Å; N697-T701 PolarHBondContact O-OG1 3.47Å; Q698-T701 WeakPolarHBondContact O-CA 3.43Å; Q698-T701 WeakPolarHBondContact O-CB 3.47Å; Q698-T701 PolarHBondContact O-N 2.97Å; L699-T701 VanDerWaalsContact C-N 3.33Å; T701-L703 VanDerWaalsContact C-N 3.35Å; T701-L703 PolarHBondContact O-N 3.45Å; T701-S704 WeakPolarHBondContact O-CB 3.28Å; T701-S704 PolarHBondContact O-N 3.29Å; T701-S704 VanDerWaalsContact O-N 3.1Å; T701-Q705 WeakPolarHBondContact O-CG 3.38Å; T701-Q705 PolarHBondContact O-N 2.86Å
702D93.9Very high88.6Confident63 Ų6393.3 Ų93.334%0.33749%0.487SS..Hα-helixtrans-62.6-40.9179-63.3-15.6000111.6Q698 S704 Q705 T706Q698-D702 PolarHBondContact NE2-OD1 2.83Å; Q698-D702 VanDerWaalsContact O-CG 3.28Å; Q698-D702 PolarHBondContact O-N 3.46Å; D702-S704 VanDerWaalsContact C-N 3.3Å; D702-S704 PolarHBondContact O-N 3.39Å; D702-Q705 PolarHBondContact O-N 3.42Å; D702-T706 WeakPolarHBondContact O-CB 3.32Å; D702-T706 PolarHBondContact O-N 3.33Å; D702-T706 PolarHBondContact O-OG1 3.13Å
703L87.5Confident88Confident81 Ų8192.6 Ų92.642%0.42449%0.491SS..Hα-helixtrans-61.2-39.5173.9-171.682.6000111.5L699 T701 R707L699-L703 WeakPolarHBondContact O-CB 3.4Å; L699-L703 PolarHBondContact O-N 3.22Å; T701-L703 VanDerWaalsContact C-N 3.35Å; T701-L703 PolarHBondContact O-N 3.45Å; L703-R707 VanDerWaalsContact O-CG 3.32Å; L703-R707 WeakPolarHBondContact O-CG 3.39Å; L703-R707 PolarHBondContact O-N 2.78Å
704S90Very high87.4Confident58 Ų5894.3 Ų94.341%0.40649%0.494SS..Hα-helixtrans-71-41.2179.3-60.40000111.9E700 T701 D702 R707 M708E700-S704 WeakPolarHBondContact O-CB 3.16Å; E700-S704 PolarHBondContact O-N 2.85Å; E700-S704 VanDerWaalsContact O-N 3.08Å; E700-S704 PolarHBondContact O-OG 2.98Å; T701-S704 WeakPolarHBondContact O-CB 3.28Å; T701-S704 PolarHBondContact O-N 3.29Å; T701-S704 VanDerWaalsContact O-N 3.1Å; D702-S704 VanDerWaalsContact C-N 3.3Å; D702-S704 PolarHBondContact O-N 3.39Å; S704-R707 PolarHBondContact O-N 3.45Å; S704-M708 PolarHBondContact O-N 3.36Å; S704-M708 VanDerWaalsContact O-N 3.09Å
705Q90.4Very high86.8Confident94 Ų9493.8 Ų93.844%0.43949%0.487SS..Hα-helixtrans-62.2-45.6171.9-68.8-177.914.600111.8T701 D702 R707 M708 Q709T701-Q705 WeakPolarHBondContact O-CG 3.38Å; T701-Q705 PolarHBondContact O-N 2.86Å; D702-Q705 PolarHBondContact O-N 3.42Å; Q705-R707 VanDerWaalsContact C-N 3.27Å; Q705-R707 PolarHBondContact O-N 3.34Å; Q705-M708 HydrophobicContact CG-CE 4.4Å; Q705-M708 PolarHBondContact O-N 3.29Å; Q705-M708 VanDerWaalsContact O-N 3.11Å; Q705-Q709 WeakPolarHBondContact O-CG 3.32Å; Q705-Q709 PolarHBondContact O-N 2.81Å
706T88.2Confident85.7Confident87 Ų8794 Ų9453%0.53449%0.491SS..Hα-helixtrans-58.8-39.7177-55.10000111.5D702 L710D702-T706 WeakPolarHBondContact O-CB 3.32Å; D702-T706 PolarHBondContact O-N 3.33Å; D702-T706 PolarHBondContact O-OG1 3.13Å; T706-L710 WeakPolarHBondContact O-CB 3.21Å; T706-L710 PolarHBondContact O-N 3.25Å
707R87.6Confident84.6Confident142 Ų14295.9 Ų95.954%0.53649%0.494SS..Hα-helixtrans-64.5-41.7174.7-78.1170.3172.8160.90112.6L703 S704 Q705 L710 L711L703-R707 VanDerWaalsContact O-CG 3.32Å; L703-R707 WeakPolarHBondContact O-CG 3.39Å; L703-R707 PolarHBondContact O-N 2.78Å; S704-R707 PolarHBondContact O-N 3.45Å; Q705-R707 VanDerWaalsContact C-N 3.27Å; Q705-R707 PolarHBondContact O-N 3.34Å; R707-L710 PolarHBondContact O-N 3.25Å; R707-L711 WeakPolarHBondContact O-CG 3.27Å; R707-L711 PolarHBondContact O-N 2.84Å; R707-L711 VanDerWaalsContact O-N 3.13Å
708M88.8Confident83.3Confident111 Ų11197.5 Ų97.555%0.54750%0.499SS..Hα-helixtrans-64-47.1176.7-69.8-171.6-63.900111.6S704 Q705 L710 L711 E712S704-M708 PolarHBondContact O-N 3.36Å; S704-M708 VanDerWaalsContact O-N 3.09Å; Q705-M708 HydrophobicContact CG-CE 4.4Å; Q705-M708 PolarHBondContact O-N 3.29Å; Q705-M708 VanDerWaalsContact O-N 3.11Å; M708-L710 VanDerWaalsContact C-N 3.26Å; M708-L710 PolarHBondContact O-N 2.78Å; M708-L711 WeakPolarHBondContact O-CB 3.19Å; M708-L711 PolarHBondContact O-N 3.03Å; M708-E712 PolarHBondContact O-N 3.33Å
709Q87.6Confident82.1Confident121 Ų12197.8 Ų97.857%0.56550%0.499SS*.Hα-helixtrans-58.8-37.5176.2-69.1175.21.300112.4Q705 E712 A713Q705-Q709 WeakPolarHBondContact O-CG 3.32Å; Q705-Q709 PolarHBondContact O-N 2.81Å; Q709-E712 PolarHBondContact O-N 3.26Å; Q709-A713 WeakPolarHBondContact O-CB 3.39Å; Q709-A713 PolarHBondContact O-N 2.84Å
710L81Confident80.5Confident106 Ų10697.4 Ų97.456%0.55549%0.494SS*.Hα-helixtrans-64.3-40.2175.2-162.290.7000112.2T706 R707 M708 Q714T706-L710 WeakPolarHBondContact O-CB 3.21Å; T706-L710 PolarHBondContact O-N 3.25Å; R707-L710 PolarHBondContact O-N 3.25Å; M708-L710 VanDerWaalsContact C-N 3.26Å; M708-L710 PolarHBondContact O-N 2.78Å; L710-Q714 VanDerWaalsContact O-CG 3.29Å; L710-Q714 WeakPolarHBondContact O-CG 3.29Å; L710-Q714 PolarHBondContact O-N 3.43Å; L710-Q714 VanDerWaalsContact O-N 3.09Å
711L83Confident78.9Confident109 Ų10996.8 Ų96.857%0.57149%0.494SS*.Hα-helixtrans-70.3-39.4177.9-69.5168.7000111.9R707 M708 Q714 S715R707-L711 WeakPolarHBondContact O-CG 3.27Å; R707-L711 PolarHBondContact O-N 2.84Å; R707-L711 VanDerWaalsContact O-N 3.13Å; M708-L711 WeakPolarHBondContact O-CB 3.19Å; M708-L711 PolarHBondContact O-N 3.03Å; L711-Q714 PolarHBondContact O-N 2.98Å; L711-S715 WeakPolarHBondContact O-CB 3.46Å; L711-S715 PolarHBondContact O-N 3.48Å
712E81.2Confident77.3Confident128 Ų12899 Ų9960%0.59850%0.504SS*.Hα-helixtrans-61.6-48.6173.8-71.8176.8163.400111.1M708 Q709 Q714 S715 D716M708-E712 PolarHBondContact O-N 3.33Å; Q709-E712 PolarHBondContact O-N 3.26Å; E712-Q714 VanDerWaalsContact C-N 3.28Å; E712-Q714 PolarHBondContact O-N 2.69Å; E712-S715 WeakPolarHBondContact O-CB 3.25Å; E712-S715 PolarHBondContact O-N 2.82Å; E712-S715 VanDerWaalsContact O-N 3.1Å; E712-D716 PolarHBondContact O-N 2.97Å
713A75.2Confident75.5Confident58 Ų58101.9 Ų101.948%0.47952%0.518SS..Hα-helixtrans-60.6-34.4176.400000113.2Q709 H717Q709-A713 WeakPolarHBondContact O-CB 3.39Å; Q709-A713 PolarHBondContact O-N 2.84Å; A713-H717 PolarHBondContact O-N 3.46Å
714Q74.8Confident73.9Confident106 Ų106102.7 Ų102.750%0.49552%0.523SS..Hα-helixtrans-70.3-39.8173.6-74.9176.16.100112.5L710 L711 E712 H717 Q718L710-Q714 VanDerWaalsContact O-CG 3.29Å; L710-Q714 WeakPolarHBondContact O-CG 3.29Å; L710-Q714 PolarHBondContact O-N 3.43Å; L710-Q714 VanDerWaalsContact O-N 3.09Å; L711-Q714 PolarHBondContact O-N 2.98Å; E712-Q714 VanDerWaalsContact C-N 3.28Å; E712-Q714 PolarHBondContact O-N 2.69Å; Q714-H717 PolarHBondContact O-N 3.3Å; Q714-Q718 PolarHBondContact O-N 3Å; Q714-Q718 VanDerWaalsContact O-N 3.09Å
715S77.1Confident72.1Confident50 Ų50103.2 Ų103.235%0.3553%0.53SS..Hα-helixtrans-64.2-44.4177.1179.10000112.2L711 E712 Q718 K719L711-S715 WeakPolarHBondContact O-CB 3.46Å; L711-S715 PolarHBondContact O-N 3.48Å; E712-S715 WeakPolarHBondContact O-CB 3.25Å; E712-S715 PolarHBondContact O-N 2.82Å; E712-S715 VanDerWaalsContact O-N 3.1Å; S715-Q718 WeakPolarHBondContact O-CB 3.38Å; S715-Q718 PolarHBondContact O-N 3.22Å; S715-Q718 VanDerWaalsContact O-N 3.11Å; S715-K719 PolarHBondContact O-N 2.93Å; S715-K719 VanDerWaalsContact O-N 3.1Å
716D71.5Confident70.3Confident89 Ų89103.4 Ų103.448%0.47654%0.542SS..Hα-helixtrans-69.3-36178.8-74.1-19.7000112E712 Q718 K719 E720E712-D716 PolarHBondContact O-N 2.97Å; D716-Q718 VanDerWaalsContact C-N 3.29Å; D716-Q718 PolarHBondContact O-N 3.02Å; D716-K719 PolarHBondContact O-N 3.46Å; D716-K719 IonicContact OD1-NZ 3.25Å; D716-K719 PolarHBondContact OD1-NZ 2.61Å; D716-E720 WeakPolarHBondContact O-CB 3.29Å; D716-E720 PolarHBondContact O-N 3.23Å
717H63.2Low68.5Low116 Ų116103.2 Ų103.254%0.53755%0.549SS..Hα-helixtrans-62.1-32.6168.6-101.2-29.7000113.1A713 Q714 E720 N721A713-H717 PolarHBondContact O-N 3.46Å; Q714-H717 PolarHBondContact O-N 3.3Å; H717-E720 IonicContact CE1-OE2 3.91Å; H717-E720 IonicContact ND1-OE2 3.39Å; H717-E720 PolarHBondContact ND1-OE2 2.88Å; H717-E720 VanDerWaalsContact ND1-OE2 3.11Å; H717-N721 PolarHBondContact O-N 3.2Å; H717-N721 VanDerWaalsContact O-N 3.08Å; H717-N721 PolarHBondContact O-ND2 3.39Å
718Q62.9Low66.5Low121 Ų121102.1 Ų102.157%0.56556%0.558SS**Hα-helixtrans-67.2-45.6173.6-82.6177.7-37.400111.6Q714 S715 D716 E720 N721 D722Q714-Q718 PolarHBondContact O-N 3Å; Q714-Q718 VanDerWaalsContact O-N 3.09Å; S715-Q718 WeakPolarHBondContact O-CB 3.38Å; S715-Q718 PolarHBondContact O-N 3.22Å; S715-Q718 VanDerWaalsContact O-N 3.11Å; D716-Q718 VanDerWaalsContact C-N 3.29Å; D716-Q718 PolarHBondContact O-N 3.02Å; Q718-E720 VanDerWaalsContact C-N 3.31Å; Q718-E720 PolarHBondContact O-N 2.93Å; Q718-N721 PolarHBondContact O-N 3.34Å; Q718-D722 PolarHBondContact O-N 3.34Å
719K67.3Low64.3Low113 Ų113100.9 Ų100.949%0.49157%0.566SS.*Hα-helixtrans-58.6-42.1174.6-63.9173.1-164.5151.90112.3S715 D716 N721 D722 I723S715-K719 PolarHBondContact O-N 2.93Å; S715-K719 VanDerWaalsContact O-N 3.1Å; D716-K719 PolarHBondContact O-N 3.46Å; D716-K719 IonicContact OD1-NZ 3.25Å; D716-K719 PolarHBondContact OD1-NZ 2.61Å; K719-N721 VanDerWaalsContact C-N 3.34Å; K719-N721 PolarHBondContact O-N 3.43Å; K719-D722 PolarHBondContact O-N 3.31Å; K719-I723 VanDerWaalsContact O-CG1 3.28Å; K719-I723 WeakPolarHBondContact O-CG1 3.22Å; K719-I723 PolarHBondContact O-N 2.92Å
720E57.9Low62.4Low108 Ų108100.5 Ų100.551%0.50557%0.574SS.*Hα-helixtrans-64.8-37.4178.6-169.8179.1-142.300112.1D716 H717 Q718 N724D716-E720 WeakPolarHBondContact O-CB 3.29Å; D716-E720 PolarHBondContact O-N 3.23Å; H717-E720 IonicContact CE1-OE2 3.91Å; H717-E720 IonicContact ND1-OE2 3.39Å; H717-E720 PolarHBondContact ND1-OE2 2.88Å; H717-E720 VanDerWaalsContact ND1-OE2 3.11Å; Q718-E720 VanDerWaalsContact C-N 3.31Å; Q718-E720 PolarHBondContact O-N 2.93Å; E720-N724 WeakPolarHBondContact O-CB 3.34Å; E720-N724 PolarHBondContact O-N 2.86Å; E720-N724 PolarHBondContact O-ND2 2.9Å
721N55.9Low60.6Low105 Ų105101.5 Ų101.556%0.56159%0.586SS**Hα-helixtrans-66.9-41.3172.5-80.2-68.4000112.3H717 Q718 K719 N724 A725H717-N721 PolarHBondContact O-N 3.2Å; H717-N721 VanDerWaalsContact O-N 3.08Å; H717-N721 PolarHBondContact O-ND2 3.39Å; Q718-N721 PolarHBondContact O-N 3.34Å; K719-N721 VanDerWaalsContact C-N 3.34Å; K719-N721 PolarHBondContact O-N 3.43Å; N721-N724 PolarHBondContact O-N 2.89Å; N721-A725 WeakPolarHBondContact O-CB 3.07Å; N721-A725 PolarHBondContact O-N 3.36Å
722D58.3Low58.7Low114 Ų114101.2 Ų101.261%0.6160%0.6SS**Hα-helixtrans-67.2-39.6179.3-73-23000112.4Q718 K719 A725 S726Q718-D722 PolarHBondContact O-N 3.34Å; K719-D722 PolarHBondContact O-N 3.31Å; D722-A725 PolarHBondContact O-N 2.85Å; D722-S726 PolarHBondContact O-N 2.84Å; D722-S726 VanDerWaalsContact O-N 3.08Å
723I56.8Low56.9Low122 Ų122104.5 Ų104.563%0.62661%0.612SS**Hα-helixtrans-61.3-46.3174-68.4164.3000110.4K719 A725 S726 A727K719-I723 VanDerWaalsContact O-CG1 3.28Å; K719-I723 WeakPolarHBondContact O-CG1 3.22Å; K719-I723 PolarHBondContact O-N 2.92Å; I723-A725 PolarHBondContact O-N 3.4Å; I723-S726 PolarHBondContact O-N 3.28Å; I723-A727 PolarHBondContact O-N 2.83Å
724N52.9Low55Low99 Ų99113.5 Ų113.553%0.52963%0.634SS.*Hα-helixtrans-67.3-33.9178-76.6-43.5000112.7E720 N721 S726 A727E720-N724 WeakPolarHBondContact O-CB 3.34Å; E720-N724 PolarHBondContact O-N 2.86Å; E720-N724 PolarHBondContact O-ND2 2.9Å; N721-N724 PolarHBondContact O-N 2.89Å; N724-S726 VanDerWaalsContact C-N 3.34Å; N724-A727 PolarHBondContact O-N 2.83Å
725A53.5Low53.3Low68 Ų68114.9 Ų114.956%0.56265%0.65SS**Hα-helixtrans-64.8-36.9174.100000112.2N721 D722 I723 A727 V728N721-A725 WeakPolarHBondContact O-CB 3.07Å; N721-A725 PolarHBondContact O-N 3.36Å; D722-A725 PolarHBondContact O-N 2.85Å; I723-A725 PolarHBondContact O-N 3.4Å; A725-A727 VanDerWaalsContact C-N 3.27Å; A725-A727 PolarHBondContact O-N 3.49Å; A725-V728 PolarHBondContact O-N 2.95Å
726S52.4Low51.2Low98 Ų98123.9 Ų123.969%0.68568%0.676SS**Hα-helixtrans-69.7-19.7178.5-170.80000114.2D722 I723 N724 V728D722-S726 PolarHBondContact O-N 2.84Å; D722-S726 VanDerWaalsContact O-N 3.08Å; I723-S726 PolarHBondContact O-N 3.28Å; N724-S726 VanDerWaalsContact C-N 3.34Å; S726-V728 VanDerWaalsContact C-N 3.35Å
727A49.6Very low49.3Very low83 Ų83131.5 Ų131.569%0.68670%0.698SS**THydrogen-bonded Turntrans-77.7-18.3179.600000113.5I723 N724 A725 A729I723-A727 PolarHBondContact O-N 2.83Å; N724-A727 PolarHBondContact O-N 2.83Å; A725-A727 VanDerWaalsContact C-N 3.27Å; A725-A727 PolarHBondContact O-N 3.49Å; A727-A729 PolarHBondContact O-N 2.89Å
728V44.9Very low48.1Very low119 Ų119131.4 Ų131.472%0.72171%0.71SS**  trans-102.259.1-174-165.80000111.2A725 S726 P730A725-V728 PolarHBondContact O-N 2.95Å; S726-V728 VanDerWaalsContact C-N 3.35Å; V728-P730 WeakPolarHBondContact O-CD 3.11Å
729A43Very low46.7Very low86 Ų86131.6 Ų131.671%0.71172%0.72SS**  trans-83.3113.8171.700000110.7A727A727-A729 PolarHBondContact O-N 2.89Å
730P47.9Very low45.2Very low113 Ų113133.9 Ų133.973%0.73474%0.737SS**  trans-73.9153.9-175.628.8-34.9000113V728 A732V728-P730 WeakPolarHBondContact O-CD 3.11Å; P730-A732 PolarHBondContact O-N 2.8Å
731P43.3Very low44Very low126 Ų126133.6 Ų133.682%0.81875%0.753SS**  trans-63.4131.6-171.1-23.234000114.3K733P731-K733 PolarHBondContact O-N 2.78Å; P731-K733 VanDerWaalsContact O-N 3.17Å
732A42.7Very low43.1Very low103 Ų103134.7 Ų134.785%0.85176%0.764SS**  trans-62.2113.2-178.900000112.6P730 R734P730-A732 PolarHBondContact O-N 2.8Å; A732-R734 PolarHBondContact O-N 2.96Å
733K43.2Very low41.9Very low198 Ų198136.2 Ų136.286%0.86177%0.772SS**  trans-72.7127.6172.4-71.3-176.1177.7178.80110.1P731 T735P731-K733 PolarHBondContact O-N 2.78Å; P731-K733 VanDerWaalsContact O-N 3.17Å; K733-T735 PolarHBondContact O-N 2.85Å
734R36.3Very low40.9Very low247 Ų247137.4 Ų137.493%0.93278%0.78SS**  trans-56.9104.3-175.5-70.2160.673.2178.65112.4A732A732-R734 PolarHBondContact O-N 2.96Å
735T38.7Very low39.9Very low135 Ų135139.8 Ų139.883%0.82879%0.792SS**PPolyproline II helixtrans-65.7131.6166.8-58.70000110.3K733K733-T735 PolarHBondContact O-N 2.85Å
736R33.9Very low39.2Very low238 Ų238143.1 Ų143.190%0.89881%0.805SS**PPolyproline II helixtrans-65.8140176.6-91.3-178.8164.9-177.8-4.8110.8S738R736-S738 PolarHBondContact O-N 2.72Å
737R31.7Very low38.4Very low249 Ų249147.6 Ų147.694%0.9481%0.812SS**PPolyproline II helixtrans-63122.6175.6-62.9175.3178.5179.8-2.5110.1
738S38.1Very low37.8Very low115 Ų115148.1 Ų148.180%0.80482%0.817SS**  trans-121.5111.9151.8-173.30000106.9R736 N740R736-S738 PolarHBondContact O-N 2.72Å; S738-N740 PolarHBondContact O-N 2.77Å
739T33.3Very low37.4Very low125 Ų125149.4 Ų149.477%0.76782%0.82SS**  trans-81.5108.5-177.443.40000110.1
740N34.6Very low37Very low160 Ų160150.8 Ų150.886%0.85682%0.824SS**  trans-126.7108156.7-97.8-5.4000108.5S738S738-N740 PolarHBondContact O-N 2.77Å
741A32.9Very low36.5Very low102 Ų102154.3 Ų154.384%0.84383%0.828SS**  trans-88.3111.2174.200000109.2
742V37.3Very low35.9Very low129 Ų129155.7 Ų155.778%0.78283%0.828SS**  trans-131.199.9155.9-179.40000107.3
743N33Very low35.6Very low146 Ų146157.7 Ų157.778%0.78183%0.825SS**  trans-82.7116.3172.1-178.319.1000107.7
744N36.8Very low35.3Very low147 Ų147156.2 Ų156.279%0.78682%0.821SS**  trans-146.1117.9164.8-105.5-25.3000110.7
745N31.9Very low35.3Very low149 Ų149151.9 Ų151.980%0.79782%0.817SS**  trans-109.6103.6-168.4-1697.9000107.9
746V38.5Very low35.3Very low137 Ų137154 Ų15483%0.8382%0.816SS**  trans-119.7121.6179.6-176.80000110.5
747K35.2Very low35.4Very low192 Ų192148.3 Ų148.384%0.83581%0.813SS**  trans-56.4149.2-167.2-67.5169174.2175.60115.1
748A36.4Very low35.7Very low95 Ų95141.8 Ų141.879%0.78581%0.806SS**  trans-53.3148.7159.100000112.1
749N36.7Very low35.7Very low145 Ų145140.2 Ų140.278%0.77581%0.808SS**  trans-135.984.4172.6-15812.6000109.3
750S35.4Very low35.9Very low115 Ų115137.9 Ų137.980%0.80481%0.809SS**  trans-71.5124.9172.1-58.70000109.6
751K37.3Very low35.8Very low188 Ų188141.4 Ų141.482%0.81781%0.81SS**  trans-131.6101.2169.5-114-180177.8-178.30110.4
752N31Very low36Very low154 Ų154149.1 Ų149.182%0.82483%0.828SS**  trans-64143.9157.2-75.8-10.9000109.2
753N36.4Very low35.9Very low145 Ų145150.2 Ų150.278%0.77583%0.831SS**  trans-172.4103.9141.7-95.3-3.9000106
754Q35.8Very low36Very low167 Ų167150.4 Ų150.478%0.7883%0.833SS**  83.8112.585.3-103.2-168.4-19.600112.5
755D36.3Very low36Very low157 Ų157150.6 Ų150.684%0.8484%0.836SS**  trans-64.7141.9179-54.5-79.6000112.7
756H39.8Very low36.2Very low178 Ų178150.6 Ų150.682%0.82484%0.838SS**  trans-113.184.8164-81.2-2.9000109.1S758H756-S758 PolarHBondContact O-N 3.47Å
757S36.2Very low36.1Very low119 Ų119151.5 Ų151.583%0.83284%0.839SS**  trans-72.9114.6161.7-176.20000108.4
758S37.5Very low36.2Very low113 Ų113148.8 Ų148.879%0.7984%0.839SS**  trans-152.3114.7179-70.80000110.2H756H756-S758 PolarHBondContact O-N 3.47Å
759G38.2Very low36.1Very low82 Ų82152.6 Ų152.685%0.84584%0.843SS**  trans142.6122.5-178.700000110.2
760G36.4Very low36.1Very low76 Ų76153.2 Ų153.278%0.78485%0.848SS**  cis158.3102.82.200000108.9
761R33.3Very low36.2Very low234 Ų234156.4 Ų156.488%0.88385%0.851SS**  trans-14.3126170.6-65.2171.5174.8174.7-3.1115.7
762H35.9Very low36.1Very low264 Ų264153.5 Ų153.5100%1.22285%0.854SS**  -147.40105.2-105.6-61000111.5

Retrieved 762 of 762 residues in 474.6 ms (Link to these results)