A0A3B3TZC4_9TELE Loading...

Urotensin 1

AlphaFold DB , UniProt , Accession A0A3B3TZC4, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 147 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
1M58.3Low74Confident237 Ų237117.4 Ų117.4100%1.16763%0.629SS**  0128.50-61.5-165.377.500107.9P3M1-P3 WeakPolarHBondContact O-CD 3.3Å
2K63.4Low74.3Confident184 Ų184114 Ų11480%0.862%0.622SS**  trans-70.9119-168.5-63.2155.6-179.7176.10108.5V4 P5K2-V4 HydrophobicContact CB-CG2 4.5Å; K2-V4 PolarHBondContact O-N 2.85Å; K2-P5 WeakPolarHBondContact O-CD 3.39Å
3P70Confident74.7Confident85 Ų85111.8 Ų111.855%0.55261%0.613SS**  trans-77.8-2.7-17831.7-35.3000113.4M1 P5 L6 L7M1-P3 WeakPolarHBondContact O-CD 3.3Å; P3-P5 VanDerWaalsContact C-CD 3.45Å; P3-L6 WeakPolarHBondContact O-CB 3.42Å; P3-L6 PolarHBondContact O-N 3.24Å; P3-L6 VanDerWaalsContact O-N 3.11Å; P3-L7 PolarHBondContact O-N 2.81Å; P3-L7 VanDerWaalsContact O-N 3.1Å
4V71.1Confident74.5Confident90 Ų90111.1 Ų111.155%0.54561%0.608SS.*Hα-helixtrans-52.1-46.2-177.9-174.60000114.7K2 L6 L7 L8K2-V4 HydrophobicContact CB-CG2 4.5Å; K2-V4 PolarHBondContact O-N 2.85Å; V4-L6 VanDerWaalsContact C-N 3.28Å; V4-L6 PolarHBondContact O-N 3.49Å; V4-L7 PolarHBondContact O-N 3.48Å; V4-L8 HydrophobicContact CG1-CD1 4.25Å; V4-L8 WeakPolarHBondContact O-CG 3.37Å; V4-L8 PolarHBondContact O-N 2.97Å; V4-L8 VanDerWaalsContact O-N 3.12Å
5P73.8Confident74.1Confident85 Ų85113.1 Ų113.155%0.55262%0.616SS**Hα-helixtrans-69.5-28.2-179.828.4-32.5000112.2K2 P3 L9K2-P5 WeakPolarHBondContact O-CD 3.39Å; P3-P5 VanDerWaalsContact C-CD 3.45Å; P5-L9 WeakPolarHBondContact O-CB 3.4Å; P5-L9 PolarHBondContact O-N 3.3Å
6L76.5Confident73.6Confident115 Ų115112.4 Ų112.460%0.60262%0.623SS**Hα-helixtrans-74.5-39-180-142.1159.7000110.8P3 V4 L9 L10P3-L6 WeakPolarHBondContact O-CB 3.42Å; P3-L6 PolarHBondContact O-N 3.24Å; P3-L6 VanDerWaalsContact O-N 3.11Å; V4-L6 VanDerWaalsContact C-N 3.28Å; V4-L6 PolarHBondContact O-N 3.49Å; L6-L9 PolarHBondContact O-N 2.9Å; L6-L10 HydrophobicContact CD2-CD1 3.81Å; L6-L10 HydrophobicContact CD2-CG 4.21Å; L6-L10 WeakPolarHBondContact O-CB 3.39Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 3.34Å
7L80.3Confident72.9Confident111 Ų111110.1 Ų110.158%0.58162%0.616SS**Hα-helixtrans-65.4-38172.9-70.9170.8000112.5P3 V4 S11P3-L7 PolarHBondContact O-N 2.81Å; P3-L7 VanDerWaalsContact O-N 3.1Å; V4-L7 PolarHBondContact O-N 3.48Å; L7-S11 WeakPolarHBondContact O-CB 3.37Å; L7-S11 PolarHBondContact O-N 3.11Å; L7-S11 PolarHBondContact O-OG 2.92Å
8L81.1Confident72.1Confident112 Ų112111.3 Ų111.359%0.58662%0.616SS**Hα-helixtrans-67.2-37.4174.7-78.2167.8000112.5V4 S11 S12V4-L8 HydrophobicContact CG1-CD1 4.25Å; V4-L8 WeakPolarHBondContact O-CG 3.37Å; V4-L8 PolarHBondContact O-N 2.97Å; V4-L8 VanDerWaalsContact O-N 3.12Å; L8-S11 PolarHBondContact O-OG 3.29Å; L8-S12 VanDerWaalsContact O-CB 3.31Å; L8-S12 WeakPolarHBondContact O-CB 3.47Å; L8-S12 PolarHBondContact O-N 2.88Å
9L80.4Confident71.2Confident118 Ų118111.5 Ų111.562%0.61862%0.623SS**Hα-helixtrans-70.6-40.8178.1-155.7144.5000110.7P5 L6 S12 V13P5-L9 WeakPolarHBondContact O-CB 3.4Å; P5-L9 PolarHBondContact O-N 3.3Å; L6-L9 PolarHBondContact O-N 2.9Å; L9-S12 PolarHBondContact O-N 3.36Å; L9-V13 HydrophobicContact CD2-CG2 4.21Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.05Å; L9-V13 PolarHBondContact O-N 3.44Å
10L79.3Confident70.3Confident91 Ų91117.7 Ų117.748%0.47664%0.636SS.*Hα-helixtrans-64-42.2173.8-75.8169.6000112.5L6 V13 L14L6-L10 HydrophobicContact CD2-CD1 3.81Å; L6-L10 HydrophobicContact CD2-CG 4.21Å; L6-L10 WeakPolarHBondContact O-CB 3.39Å; L6-L10 WeakPolarHBondContact O-CG 3.33Å; L6-L10 PolarHBondContact O-N 3.34Å; L10-V13 PolarHBondContact O-N 3.22Å; L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 WeakPolarHBondContact O-CD1 3.48Å; L10-L14 VanDerWaalsContact O-CG 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.43Å; L10-L14 PolarHBondContact O-N 2.98Å
11S79.5Confident69.4Low63 Ų63117.9 Ų117.944%0.44164%0.644SS.*Hα-helixtrans-67.8-36.6177.367.50000112.2L7 L8 L15L7-S11 WeakPolarHBondContact O-CB 3.37Å; L7-S11 PolarHBondContact O-N 3.11Å; L7-S11 PolarHBondContact O-OG 2.92Å; L8-S11 PolarHBondContact O-OG 3.29Å; S11-L15 VanDerWaalsContact O-CB 3.28Å; S11-L15 WeakPolarHBondContact O-CB 3.42Å; S11-L15 PolarHBondContact O-N 3.34Å
12S78.1Confident69Low77 Ų77110.8 Ų110.854%0.53862%0.622SS.*Hα-helixtrans-65.2-43.5174.8-179.60000112.3L8 L9 L15 S16L8-S12 VanDerWaalsContact O-CB 3.31Å; L8-S12 WeakPolarHBondContact O-CB 3.47Å; L8-S12 PolarHBondContact O-N 2.88Å; L9-S12 PolarHBondContact O-N 3.36Å; S12-L15 PolarHBondContact O-N 3.49Å; S12-S16 WeakPolarHBondContact O-CB 3.39Å; S12-S16 PolarHBondContact O-N 3.45Å
13V79.3Confident68.6Low85 Ų85107.1 Ų107.152%0.51563%0.627SS.*Hα-helixtrans-66.2-42.8177170.50000111.2L9 L10 S16 S17L9-V13 HydrophobicContact CD2-CG2 4.21Å; L9-V13 VanDerWaalsContact O-CG2 3.28Å; L9-V13 WeakPolarHBondContact O-CG2 3.05Å; L9-V13 PolarHBondContact O-N 3.44Å; L10-V13 PolarHBondContact O-N 3.22Å; V13-S16 PolarHBondContact O-N 3.42Å; V13-S17 WeakPolarHBondContact O-CB 3.46Å; V13-S17 PolarHBondContact O-N 2.9Å; V13-S17 PolarHBondContact O-OG 2.97Å
14L72.1Confident67.6Low103 Ų103106.6 Ų106.654%0.53964%0.637SS.*Hα-helixtrans-64-42176.3-73.5167.2000111.6L10 S16 S17 H18L10-L14 WeakPolarHBondContact O-CB 3.41Å; L10-L14 WeakPolarHBondContact O-CD1 3.48Å; L10-L14 VanDerWaalsContact O-CG 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.43Å; L10-L14 PolarHBondContact O-N 2.98Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 2.94Å; L14-S17 PolarHBondContact O-N 3.39Å; L14-S17 PolarHBondContact O-OG 3.48Å; L14-H18 PolarHBondContact O-CE1 2.85Å; L14-H18 PolarHBondContact O-N 3.31Å; L14-H18 PolarHBondContact O-ND1 3.33Å
15L68Low66.3Low140 Ų140110.6 Ų110.673%0.73364%0.642SS**Hα-helixtrans-68-31.8178-165.664.9000112.3S11 S12S11-L15 VanDerWaalsContact O-CB 3.28Å; S11-L15 WeakPolarHBondContact O-CB 3.42Å; S11-L15 PolarHBondContact O-N 3.34Å; S12-L15 PolarHBondContact O-N 3.49Å
16S67.1Low64.9Low102 Ų102111.4 Ų111.471%0.71365%0.647SS**Hα-helixtrans-73.8-25.2173.9-177.60000113.5S12 V13 L14S12-S16 WeakPolarHBondContact O-CB 3.39Å; S12-S16 PolarHBondContact O-N 3.45Å; V13-S16 PolarHBondContact O-N 3.42Å; L14-S16 VanDerWaalsContact C-N 3.31Å; L14-S16 PolarHBondContact O-N 2.94Å
17S60.4Low63.9Low73 Ų73117.7 Ų117.751%0.5166%0.663SS.*THydrogen-bonded Turntrans-91.7-1-176.467.10000113.8V13 L14 P19V13-S17 WeakPolarHBondContact O-CB 3.46Å; V13-S17 PolarHBondContact O-N 2.9Å; V13-S17 PolarHBondContact O-OG 2.97Å; L14-S17 PolarHBondContact O-N 3.39Å; L14-S17 PolarHBondContact O-OG 3.48Å; S17-P19 WeakPolarHBondContact O-CD 3.18Å
18H58.5Low62.5Low132 Ų132117 Ų11761%0.61167%0.668SS**SBendtrans-76.2107.6170.8-74.346000108.5L14 R20L14-H18 PolarHBondContact O-CE1 2.85Å; L14-H18 PolarHBondContact O-N 3.31Å; L14-H18 PolarHBondContact O-ND1 3.33Å; H18-R20 PolarHBondContact O-N 2.88Å; H18-R20 VanDerWaalsContact O-N 3.1Å
19P54.8Low60.6Low115 Ų115117.9 Ų117.975%0.74767%0.667SS**  trans-60.7121.9169.227.7-32.8000106.5S17 P21S17-P19 WeakPolarHBondContact O-CD 3.18Å; P19-P21 WeakPolarHBondContact O-CD 3.39Å
20R53.8Low59Low235 Ų235117.2 Ų117.289%0.88767%0.67SS**  trans-45.3117.9167.3-92.5-177.7169.2130.5-3.7107.1H18 A22H18-R20 PolarHBondContact O-N 2.88Å; H18-R20 VanDerWaalsContact O-N 3.1Å; R20-A22 VanDerWaalsContact C-N 3.3Å; R20-A22 PolarHBondContact O-N 3.08Å
21P52.2Low57.6Low123 Ų123116.5 Ų116.580%0.79968%0.684SS**  trans-63106.6162.924.5-27.5000104.7P19 A23P19-P21 WeakPolarHBondContact O-CD 3.39Å; P21-A23 PolarHBondContact O-N 3.06Å
22A48.4Very low56.3Low87 Ų87121.3 Ų121.372%0.71969%0.692SS**  trans-61.190.1173.400000107.3R20 G24R20-A22 VanDerWaalsContact C-N 3.3Å; R20-A22 PolarHBondContact O-N 3.08Å; A22-G24 VanDerWaalsContact C-N 3.29Å; A22-G24 PolarHBondContact O-N 3Å
23A55.1Low54.7Low108 Ų108124.3 Ų124.389%0.89370%0.702SS**THydrogen-bonded Turntrans-64.994.8167.500000106.4P21P21-A23 PolarHBondContact O-N 3.06Å
24G49.7Very low53.2Low74 Ų74126.4 Ų126.476%0.76371%0.71SS**THydrogen-bonded Turntrans152.91.8-179.600000116.8A22 P26A22-G24 VanDerWaalsContact C-N 3.29Å; A22-G24 PolarHBondContact O-N 3Å; G24-P26 VanDerWaalsContact O-CD 3.27Å; G24-P26 WeakPolarHBondContact O-CD 3.44Å
25R44.7Very low52.1Low174 Ų174124.2 Ų124.266%0.65771%0.713SS**  trans-92.2111.3172.3-160.3175-162.5162.28.1110.7R27R25-R27 PolarHBondContact O-N 3.33Å; R25-R27 VanDerWaalsContact O-N 3.15Å
26P44.2Very low51.3Low101 Ų101122.8 Ų122.866%0.65671%0.71SS**  trans-60.6119.6163.324.8-30.3000107.9G24 S28G24-P26 VanDerWaalsContact O-CD 3.27Å; G24-P26 WeakPolarHBondContact O-CD 3.44Å; P26-S28 PolarHBondContact O-N 3.31Å
27R54.6Low50.5Low247 Ų247119 Ų11993%0.93268%0.684SS**  trans-77.664.7173.1-81.2-178.4159.7141.6-5.9110.2R25R25-R27 PolarHBondContact O-N 3.33Å; R25-R27 VanDerWaalsContact O-N 3.15Å
28S50.7Low50.1Low98 Ų98125 Ų12569%0.68570%0.695SS**  trans-121.576.1158.550.90000107.9P26 P30P26-S28 PolarHBondContact O-N 3.31Å; S28-P30 WeakPolarHBondContact O-CD 3.41Å
29F42.5Very low49.7Very low130 Ų130124.9 Ų124.957%0.5770%0.698SS**  trans-70.6123.3160-87.6-91.6000107.2G31F29-G31 PolarHBondContact O-N 3.47Å
30P46.5Very low49.7Very low104 Ų104122.3 Ų122.368%0.67568%0.676SS**  trans-63.7132.4167.8-11.325.5000108.2S28 W32S28-P30 WeakPolarHBondContact O-CD 3.41Å; P30-W32 PolarHBondContact O-N 2.7Å
31G49.6Very low49.9Very low75 Ų75113.9 Ų113.977%0.77365%0.651SS**G310 helixtrans-67.432.2179.600000115.4F29F29-G31 PolarHBondContact O-N 3.47Å
32W51.4Low50.2Low164 Ų164113.9 Ų113.962%0.62164%0.64SS**G310 helixtrans-88-11-178.8-175.543.3000113.9P30P30-W32 PolarHBondContact O-N 2.7Å
33L45.8Very low50.6Low140 Ų140116.2 Ų116.273%0.73364%0.636SS**G310 helixtrans-95.518.9180-75.8166.1000113.8
34D46.9Very low50.9Low129 Ų129112.8 Ų112.869%0.6960%0.604SS**SBendtrans-80.1132.7158.5-85.6-16.4000108.6T36D34-T36 PolarHBondContact O-N 3.44Å
35G49.2Very low51.5Low58 Ų58114.1 Ų114.160%0.59859%0.594SS**THydrogen-bonded Turntrans-57.65.9-157.200000119.2S37G35-S37 VanDerWaalsContact C-N 3.32Å; G35-S37 PolarHBondContact O-N 3.26Å
36T51.5Low52.4Low109 Ų109110.8 Ų110.867%0.66959%0.589SS**Hα-helixtrans-68.9-26.5177-29.60000112.8D34 R38 Q40D34-T36 PolarHBondContact O-N 3.44Å; T36-R38 PolarHBondContact O-N 3.01Å; T36-Q40 PolarHBondContact O-N 3.43Å
37S50.6Low53.3Low24 Ų24110.3 Ų110.317%0.16858%0.584CS.*Hα-helixtrans-68.1-32.4-17859.50000113.4G35 Q40 T41G35-S37 VanDerWaalsContact C-N 3.32Å; G35-S37 PolarHBondContact O-N 3.26Å; S37-Q40 PolarHBondContact O-N 3.45Å; S37-T41 WeakPolarHBondContact O-CG2 3.27Å; S37-T41 PolarHBondContact O-N 2.95Å; S37-T41 PolarHBondContact O-OG1 2.89Å; S37-T41 VanDerWaalsContact O-OG1 3.07Å
38R50.7Low53.6Low197 Ų197101.7 Ų101.774%0.74356%0.556SS**Hα-helixtrans-71.9-36.5-174.9-141.2-172.4-64.1-99.83.3112.9T36 T41 Q42T36-R38 PolarHBondContact O-N 3.01Å; R38-T41 PolarHBondContact O-OG1 3.48Å; R38-Q42 PolarHBondContact O-N 3.11Å
39L51.3Low54.3Low130 Ų130102.9 Ų102.968%0.68155%0.554SS**Hα-helixtrans-73.8-36174.1-71170.8000111.3Q43L39-Q43 PolarHBondContact O-N 2.94Å; L39-Q43 VanDerWaalsContact O-N 3.13Å
40Q53.4Low55.2Low62 Ų62105.2 Ų105.229%0.2956%0.559SS.*Hα-helixtrans-69.6-45.1178.9-165.3169.853.200111.3T36 S37 Q42 Q43 V44T36-Q40 PolarHBondContact O-N 3.43Å; S37-Q40 PolarHBondContact O-N 3.45Å; Q40-Q42 VanDerWaalsContact C-N 3.29Å; Q40-Q42 PolarHBondContact O-N 3.35Å; Q40-Q43 PolarHBondContact O-N 2.89Å; Q40-V44 HydrophobicContact CG-CG2 4.45Å; Q40-V44 WeakPolarHBondContact O-CG2 3.4Å; Q40-V44 PolarHBondContact O-N 3.41Å
41T58.3Low55.6Low58 Ų58101.3 Ų101.336%0.35654%0.535SS..Hα-helixtrans-58.5-42175.948.30000111.8S37 R38 Q43 V44 D45S37-T41 WeakPolarHBondContact O-CG2 3.27Å; S37-T41 PolarHBondContact O-N 2.95Å; S37-T41 PolarHBondContact O-OG1 2.89Å; S37-T41 VanDerWaalsContact O-OG1 3.07Å; R38-T41 PolarHBondContact O-OG1 3.48Å; T41-Q43 VanDerWaalsContact C-N 3.33Å; T41-Q43 PolarHBondContact O-N 3.39Å; T41-V44 PolarHBondContact O-N 3.4Å; T41-D45 WeakPolarHBondContact O-CB 3.33Å; T41-D45 VanDerWaalsContact O-CG 3.26Å; T41-D45 PolarHBondContact O-N 3.11Å
42Q58.1Low55.9Low122 Ų122101.5 Ų101.557%0.5753%0.53SS*.Hα-helixtrans-65-37.5178.7-162.6177.8-7.100112.2R38 Q40 D46R38-Q42 PolarHBondContact O-N 3.11Å; Q40-Q42 VanDerWaalsContact C-N 3.29Å; Q40-Q42 PolarHBondContact O-N 3.35Å; Q42-D46 PolarHBondContact O-N 3.45Å
43Q57.6Low56.2Low136 Ų13699 Ų9964%0.63653%0.532SS*.Hα-helixtrans-68.3-36.6174-170.2-179.329.800112.5L39 Q40 T41 V47L39-Q43 PolarHBondContact O-N 2.94Å; L39-Q43 VanDerWaalsContact O-N 3.13Å; Q40-Q43 PolarHBondContact O-N 2.89Å; T41-Q43 VanDerWaalsContact C-N 3.33Å; T41-Q43 PolarHBondContact O-N 3.39Å; Q43-V47 VanDerWaalsContact O-CG2 3.28Å; Q43-V47 WeakPolarHBondContact O-CG2 3.4Å; Q43-V47 PolarHBondContact O-N 3.49Å
44V62.4Low56.7Low37 Ų3798.3 Ų98.322%0.22453%0.526CS..Hα-helixtrans-70.2-39.7177.8-155.10000110.4Q40 T41 V47 L48 L68Q40-V44 HydrophobicContact CG-CG2 4.45Å; Q40-V44 WeakPolarHBondContact O-CG2 3.4Å; Q40-V44 PolarHBondContact O-N 3.41Å; T41-V44 PolarHBondContact O-N 3.4Å; V44-V47 PolarHBondContact O-N 3.32Å; V44-L48 HydrophobicContact CG1-CD1 3.95Å; V44-L48 HydrophobicContact CG1-CG 4.25Å; V44-L48 WeakPolarHBondContact O-CB 3.36Å; V44-L48 VanDerWaalsContact O-CG 3.23Å; V44-L48 WeakPolarHBondContact O-CG 3.46Å; V44-L48 PolarHBondContact O-N 3.3Å; V44-L68 HydrophobicContact CG1-CD1 3.98Å
45D62Low57.1Low102 Ų10296.2 Ų96.255%0.54553%0.534SS..Hα-helixtrans-63.6-42.2179.5-71-24.2000111.9T41 V47 L48 L49T41-D45 WeakPolarHBondContact O-CB 3.33Å; T41-D45 VanDerWaalsContact O-CG 3.26Å; T41-D45 PolarHBondContact O-N 3.11Å; D45-V47 PolarHBondContact O-N 3.43Å; D45-L48 PolarHBondContact O-N 2.89Å; D45-L49 VanDerWaalsContact O-CB 3.26Å; D45-L49 WeakPolarHBondContact O-CB 3.35Å; D45-L49 PolarHBondContact O-N 3.19Å
46D63.8Low57.4Low104 Ų10498.3 Ų98.356%0.55655%0.546SS*.Hα-helixtrans-66.5-36.3176.7-82-19.9000112.8Q42 R50Q42-D46 PolarHBondContact O-N 3.45Å; D46-R50 WeakPolarHBondContact O-CB 3.35Å; D46-R50 PolarHBondContact O-N 3.19Å; D46-R50 VanDerWaalsContact O-N 3.11Å
47V62.1Low57.5Low91 Ų9194 Ų9455%0.55252%0.521SS*.Hα-helixtrans-73.5-39178174.10000111.1Q43 V44 D45 R50 A51Q43-V47 VanDerWaalsContact O-CG2 3.28Å; Q43-V47 WeakPolarHBondContact O-CG2 3.4Å; Q43-V47 PolarHBondContact O-N 3.49Å; V44-V47 PolarHBondContact O-N 3.32Å; D45-V47 PolarHBondContact O-N 3.43Å; V47-R50 PolarHBondContact O-N 3.13Å; V47-A51 WeakPolarHBondContact O-CB 3.26Å; V47-A51 PolarHBondContact O-N 2.95Å
48L61.8Low57.6Low65 Ų6597.8 Ų97.834%0.3455%0.548SS..Hα-helixtrans-67.2-41.3175.2-73.6171.3000111.7V44 D45 R50 A51 A52 V61V44-L48 HydrophobicContact CG1-CD1 3.95Å; V44-L48 HydrophobicContact CG1-CG 4.25Å; V44-L48 WeakPolarHBondContact O-CB 3.36Å; V44-L48 VanDerWaalsContact O-CG 3.23Å; V44-L48 WeakPolarHBondContact O-CG 3.46Å; V44-L48 PolarHBondContact O-N 3.3Å; D45-L48 PolarHBondContact O-N 2.89Å; L48-R50 VanDerWaalsContact C-N 3.28Å; L48-R50 PolarHBondContact O-N 3.4Å; L48-A51 PolarHBondContact O-N 3.35Å; L48-A52 VanDerWaalsContact O-CB 3.27Å; L48-A52 WeakPolarHBondContact O-CB 3.49Å; L48-A52 PolarHBondContact O-N 3.03Å; L48-V61 HydrophobicContact CD2-CG1 3.68Å
49L64.4Low57.9Low123 Ų12394.9 Ų94.964%0.64455%0.547SS*.Hα-helixtrans-63-38176.2-160.976.5000111D45 T53D45-L49 VanDerWaalsContact O-CB 3.26Å; D45-L49 WeakPolarHBondContact O-CB 3.35Å; D45-L49 PolarHBondContact O-N 3.19Å; L49-T53 WeakPolarHBondContact O-CG2 3.28Å; L49-T53 PolarHBondContact O-N 3.38Å
50R61.1Low58.1Low180 Ų18094 Ų9468%0.67954%0.542SS*.Hα-helixtrans-73.1-41.5177.1-166.4163.4-175164.70.6113D46 V47 L48 A52 T53 E54D46-R50 WeakPolarHBondContact O-CB 3.35Å; D46-R50 PolarHBondContact O-N 3.19Å; D46-R50 VanDerWaalsContact O-N 3.11Å; V47-R50 PolarHBondContact O-N 3.13Å; L48-R50 VanDerWaalsContact C-N 3.28Å; L48-R50 PolarHBondContact O-N 3.4Å; R50-A52 VanDerWaalsContact C-N 3.33Å; R50-A52 PolarHBondContact O-N 3.12Å; R50-T53 PolarHBondContact O-N 3.11Å; R50-T53 PolarHBondContact O-OG1 3.1Å; R50-E54 PolarHBondContact O-N 2.66Å
51A55.4Low58.4Low21 Ų2192.8 Ų92.817%0.17454%0.539CS..Hα-helixtrans-68.4-31.6176.600000112.7V47 L48 T53 E54 A57 V61V47-A51 WeakPolarHBondContact O-CB 3.26Å; V47-A51 PolarHBondContact O-N 2.95Å; L48-A51 PolarHBondContact O-N 3.35Å; A51-T53 VanDerWaalsContact C-N 3.29Å; A51-T53 PolarHBondContact O-N 3.45Å; A51-E54 CarbonylContact O-C 3.48Å; A51-E54 PolarHBondContact O-N 3.33Å; A51-E54 VanDerWaalsContact O-O 3.07Å; A51-A57 HydrophobicContact CB-CB 4.35Å; A51-V61 HydrophobicContact CB-CG2 3.45Å; A51-V61 VanDerWaalsContact CB-CG2 3.45Å
52A56.5Low58.6Low79 Ų7991.4 Ų91.465%0.65354%0.536SS*.Hα-helixtrans-67.7-27.4174.400000113L48 R50L48-A52 VanDerWaalsContact O-CB 3.27Å; L48-A52 WeakPolarHBondContact O-CB 3.49Å; L48-A52 PolarHBondContact O-N 3.03Å; R50-A52 VanDerWaalsContact C-N 3.33Å; R50-A52 PolarHBondContact O-N 3.12Å
53T57.8Low58.8Low111 Ų11190.7 Ų90.768%0.68154%0.537SS*.Hα-helixtrans-77.3-23.917659.30000113.4L49 R50 A51L49-T53 WeakPolarHBondContact O-CG2 3.28Å; L49-T53 PolarHBondContact O-N 3.38Å; R50-T53 PolarHBondContact O-N 3.11Å; R50-T53 PolarHBondContact O-OG1 3.1Å; A51-T53 VanDerWaalsContact C-N 3.29Å; A51-T53 PolarHBondContact O-N 3.45Å
54E56.2Low59.3Low127 Ų12789.1 Ų89.159%0.59353%0.529SS*.SBendtrans-101.179.3175.7-66.6179.1-174.400107.8R50 A51 A56 A57R50-E54 PolarHBondContact O-N 2.66Å; A51-E54 CarbonylContact O-C 3.48Å; A51-E54 PolarHBondContact O-N 3.33Å; A51-E54 VanDerWaalsContact O-O 3.07Å; E54-A56 PolarHBondContact O-N 3.49Å; E54-A57 PolarHBondContact O-N 2.9Å
55G55.3Low59.6Low84 Ų8491.2 Ų91.287%0.86654%0.539SS*.THydrogen-bonded Turntrans-59.323.2-171.300000118.1
56A54.4Low59.7Low102 Ų10291.3 Ų91.384%0.84354%0.538SS*.THydrogen-bonded Turntrans-105.54.5171.300000113.3E54E54-A56 PolarHBondContact O-N 3.49Å
57A53.2Low59.8Low18 Ų1894.9 Ų94.915%0.14954%0.544CS..  trans-107.719.6-166.800000115.7A51 E54 D59 L60 V61A51-A57 HydrophobicContact CB-CB 4.35Å; E54-A57 PolarHBondContact O-N 2.9Å; A57-D59 VanDerWaalsContact C-N 3.28Å; A57-D59 PolarHBondContact O-N 3.3Å; A57-L60 HydrophobicContact CB-CB 4.48Å; A57-L60 PolarHBondContact O-N 2.93Å; A57-V61 HydrophobicContact CB-CG2 4.07Å; A57-V61 WeakPolarHBondContact O-CB 3.47Å; A57-V61 WeakPolarHBondContact O-CG2 3.39Å; A57-V61 PolarHBondContact O-N 3.39Å
58S54.6Low60Low105 Ų10593 Ų9373%0.73453%0.531SS*.Hα-helixtrans-60.5-39179.5-1660000112.2G62S58-G62 PolarHBondContact O-N 2.96Å; S58-G62 VanDerWaalsContact O-N 3.12Å
59D55.4Low60.1Low136 Ų13694.6 Ų94.673%0.72754%0.539SS*.Hα-helixtrans-76.1-40.7179.4-62.4-17000111.3A57 G62 D63A57-D59 VanDerWaalsContact C-N 3.28Å; A57-D59 PolarHBondContact O-N 3.3Å; D59-G62 PolarHBondContact O-N 3.07Å; D59-D63 PolarHBondContact O-N 3.27Å
60L55.8Low60.1Low110 Ų11094.3 Ų94.358%0.57653%0.534SS*.Hα-helixtrans-70.8-34.4-179.5-152108000112.7A57 H64A57-L60 HydrophobicContact CB-CB 4.48Å; A57-L60 PolarHBondContact O-N 2.93Å; L60-H64 PolarHBondContact O-CD2 2.9Å; L60-H64 VanDerWaalsContact O-CD2 3.27Å; L60-H64 PolarHBondContact O-N 3.45Å; L60-H64 VanDerWaalsContact O-N 3.13Å
61V60.8Low60Low37 Ų3795.2 Ų95.222%0.22454%0.538CS..Hα-helixtrans-70.3-38172.9171.60000110.3L48 A51 A57 H64 L65L48-V61 HydrophobicContact CD2-CG1 3.68Å; A51-V61 HydrophobicContact CB-CG2 3.45Å; A51-V61 VanDerWaalsContact CB-CG2 3.45Å; A57-V61 HydrophobicContact CB-CG2 4.07Å; A57-V61 WeakPolarHBondContact O-CB 3.47Å; A57-V61 WeakPolarHBondContact O-CG2 3.39Å; A57-V61 PolarHBondContact O-N 3.39Å; V61-H64 PolarHBondContact O-N 3.16Å; V61-L65 HydrophobicContact CG1-CD1 4.07Å; V61-L65 WeakPolarHBondContact O-CB 3.37Å; V61-L65 PolarHBondContact O-N 2.9Å
62G61.3Low60Low29 Ų29100.1 Ų100.130%0.29955%0.552SS.*Hα-helixtrans-56.1-50.8171.600000111.7S58 D59 H64 L65 L66S58-G62 PolarHBondContact O-N 2.96Å; S58-G62 VanDerWaalsContact O-N 3.12Å; D59-G62 PolarHBondContact O-N 3.07Å; G62-H64 VanDerWaalsContact C-N 3.34Å; G62-H64 PolarHBondContact O-N 2.89Å; G62-L65 PolarHBondContact O-N 2.91Å; G62-L66 WeakPolarHBondContact O-CB 3.5Å; G62-L66 VanDerWaalsContact O-CG 3.29Å; G62-L66 WeakPolarHBondContact O-CG 3.26Å; G62-L66 PolarHBondContact O-N 2.97Å
63D64Low60Low107 Ų10799.5 Ų99.557%0.57254%0.538SS*.Hα-helixtrans-61.7-40.3178.6-72.3-17.9000112.6D59 R67D59-D63 PolarHBondContact O-N 3.27Å; D63-R67 VanDerWaalsContact O-CB 3.3Å; D63-R67 WeakPolarHBondContact O-CB 3.28Å; D63-R67 PolarHBondContact O-N 3.18Å
64H66.5Low59.9Low103 Ų10397.3 Ų97.348%0.47753%0.526SS..Hα-helixtrans-69.2-37.5177.4-86.5-60.2000113.2L60 V61 G62 R67 L68L60-H64 PolarHBondContact O-CD2 2.9Å; L60-H64 VanDerWaalsContact O-CD2 3.27Å; L60-H64 PolarHBondContact O-N 3.45Å; L60-H64 VanDerWaalsContact O-N 3.13Å; V61-H64 PolarHBondContact O-N 3.16Å; G62-H64 VanDerWaalsContact C-N 3.34Å; G62-H64 PolarHBondContact O-N 2.89Å; H64-R67 PolarHBondContact O-N 3.42Å; H64-L68 WeakPolarHBondContact O-CB 3.42Å; H64-L68 WeakPolarHBondContact O-CG 3.23Å; H64-L68 PolarHBondContact O-N 3.02Å
65L68.9Low59.7Low82 Ų8297.3 Ų97.343%0.42953%0.53SS..Hα-helixtrans-64.8-46.3173.3-99.1157.4000111.2V61 G62 R67 L68 L69V61-L65 HydrophobicContact CG1-CD1 4.07Å; V61-L65 WeakPolarHBondContact O-CB 3.37Å; V61-L65 PolarHBondContact O-N 2.9Å; G62-L65 PolarHBondContact O-N 2.91Å; L65-R67 VanDerWaalsContact C-N 3.3Å; L65-R67 PolarHBondContact O-N 3.39Å; L65-L68 PolarHBondContact O-N 3.07Å; L65-L69 VanDerWaalsContact O-CG 3.28Å; L65-L69 WeakPolarHBondContact O-CG 3.36Å; L65-L69 PolarHBondContact O-N 3.36Å
66L64.2Low59.3Low103 Ų103102 Ų10254%0.53952%0.521SS..Hα-helixtrans-59.4-43.1176.3-72173.8000111.1G62 L68 L69 Q70G62-L66 WeakPolarHBondContact O-CB 3.5Å; G62-L66 VanDerWaalsContact O-CG 3.29Å; G62-L66 WeakPolarHBondContact O-CG 3.26Å; G62-L66 PolarHBondContact O-N 2.97Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 2.91Å; L66-L69 PolarHBondContact O-N 3.46Å; L66-Q70 VanDerWaalsContact O-CB 3.31Å; L66-Q70 WeakPolarHBondContact O-CB 3.28Å; L66-Q70 PolarHBondContact O-N 2.7Å
67R66.6Low59.1Low179 Ų17999.8 Ų99.868%0.67550%0.495SS*.Hα-helixtrans-65.6-35.1177.4-155.3176.6-155.3153.65.4113D63 H64 L65 R71D63-R67 VanDerWaalsContact O-CB 3.3Å; D63-R67 WeakPolarHBondContact O-CB 3.28Å; D63-R67 PolarHBondContact O-N 3.18Å; H64-R67 PolarHBondContact O-N 3.42Å; L65-R67 VanDerWaalsContact C-N 3.3Å; L65-R67 PolarHBondContact O-N 3.39Å; R67-R71 WeakPolarHBondContact O-CB 3.43Å; R67-R71 PolarHBondContact O-N 3.37Å; R67-R71 VanDerWaalsContact O-N 3.08Å
68L66.9Low58.9Low51 Ų51105.1 Ų105.127%0.26752%0.516SS..Hα-helixtrans-71.3-37.8175.4-81.8164.5000112.2V44 H64 L65 L66 R72V44-L68 HydrophobicContact CG1-CD1 3.98Å; H64-L68 WeakPolarHBondContact O-CB 3.42Å; H64-L68 WeakPolarHBondContact O-CG 3.23Å; H64-L68 PolarHBondContact O-N 3.02Å; L65-L68 PolarHBondContact O-N 3.07Å; L66-L68 VanDerWaalsContact C-N 3.34Å; L66-L68 PolarHBondContact O-N 2.91Å; L68-R72 WeakPolarHBondContact O-CG 3.33Å; L68-R72 PolarHBondContact O-N 3.37Å
69L63.9Low58.7Low99 Ų99107.8 Ų107.852%0.51852%0.521SS..Hα-helixtrans-67-44.5174.4-69.1170000110.9L65 L66 R71 R72 D73L65-L69 VanDerWaalsContact O-CG 3.28Å; L65-L69 WeakPolarHBondContact O-CG 3.36Å; L65-L69 PolarHBondContact O-N 3.36Å; L66-L69 PolarHBondContact O-N 3.46Å; L69-R71 VanDerWaalsContact C-N 3.29Å; L69-R71 PolarHBondContact O-N 3.01Å; L69-R72 PolarHBondContact O-N 3.26Å; L69-D73 PolarHBondContact O-N 3.49Å
70Q63.2Low58.4Low117 Ų117108 Ų10855%0.54752%0.522SS..Hα-helixtrans-62.4-35.1176.9-170.5166.64400113.1L66 R72 L77L66-Q70 VanDerWaalsContact O-CB 3.31Å; L66-Q70 WeakPolarHBondContact O-CB 3.28Å; L66-Q70 PolarHBondContact O-N 2.7Å; Q70-R72 VanDerWaalsContact C-N 3.32Å; Q70-L77 HydrophobicContact CB-CD1 3.35Å; Q70-L77 HydrophobicContact CG-CD1 3.59Å
71R59.9Low58.2Low199 Ų199108.4 Ų108.475%0.75152%0.524SS*.Hα-helixtrans-72.4-25.1174.1-169.1176.2-177.8-159.21.2113.2R67 L69R67-R71 WeakPolarHBondContact O-CB 3.43Å; R67-R71 PolarHBondContact O-N 3.37Å; R67-R71 VanDerWaalsContact O-N 3.08Å; L69-R71 VanDerWaalsContact C-N 3.29Å; L69-R71 PolarHBondContact O-N 3.01Å
72R55.7Low57.5Low125 Ų125110.4 Ų110.447%0.47254%0.538SS..Hα-helixtrans-90.6-25.4-176.9-83.3-165.6166.3146.62.3113.8L68 L69 Q70L68-R72 WeakPolarHBondContact O-CG 3.33Å; L68-R72 PolarHBondContact O-N 3.37Å; L69-R72 PolarHBondContact O-N 3.26Å; Q70-R72 VanDerWaalsContact C-N 3.32Å
73D54.9Low56.8Low65 Ų65116.9 Ų116.935%0.34856%0.56SS.*  trans-156.378.5-176.3-140.5-24.5000110.5L69 D75 R76L69-D73 PolarHBondContact O-N 3.49Å; D73-D75 PolarHBondContact O-N 3.33Å; D73-R76 HydrophobicContact CB-CB 4.29Å; D73-R76 PolarHBondContact O-N 3.24Å; D73-R76 WeakPolarHBondContact OD2-CD 2.96Å
74P56.1Low56.2Low66 Ų66117.9 Ų117.943%0.42957%0.57SS.*Hα-helixtrans-62.4-36-178.825-32.5000111.4R76 L77 H78P74-R76 VanDerWaalsContact C-N 3.29Å; P74-R76 PolarHBondContact O-N 3.01Å; P74-L77 PolarHBondContact O-N 3.44Å; P74-H78 PolarHBondContact O-CD2 3.46Å; P74-H78 PolarHBondContact O-N 3.33Å
75D51.4Low55.1Low127 Ų127120.6 Ų120.668%0.67959%0.588SS**Hα-helixtrans-69.4-23.2-174.9-63.6-24.8000113.3D73D73-D75 PolarHBondContact O-N 3.33Å
76R48.7Very low54.3Low183 Ų183120.7 Ų120.769%0.69161%0.608SS**Hα-helixtrans-82.9-25.8176.8-88.8-173.5148.6167.9-7.1114.3D73 P74 L79D73-R76 HydrophobicContact CB-CB 4.29Å; D73-R76 PolarHBondContact O-N 3.24Å; D73-R76 WeakPolarHBondContact OD2-CD 2.96Å; P74-R76 VanDerWaalsContact C-N 3.29Å; P74-R76 PolarHBondContact O-N 3.01Å; R76-L79 PolarHBondContact O-N 2.69Å
77L48.8Very low53.5Low54 Ų54118.1 Ų118.128%0.28360%0.602SS.*Hα-helixtrans-79.6-26.5176.9-69.8177.3000112.3Q70 P74 L79 L80 L81Q70-L77 HydrophobicContact CB-CD1 3.35Å; Q70-L77 HydrophobicContact CG-CD1 3.59Å; P74-L77 PolarHBondContact O-N 3.44Å; L77-L79 PolarHBondContact O-N 2.97Å; L77-L80 PolarHBondContact O-N 3.42Å; L77-L81 PolarHBondContact O-N 2.91Å; L77-L81 VanDerWaalsContact O-N 3.16Å
78H49.2Very low52.7Low131 Ų131118.2 Ų118.261%0.60661%0.61SS**THydrogen-bonded Turntrans-62.7-19.9170-72-62.8000113.4P74P74-H78 PolarHBondContact O-CD2 3.46Å; P74-H78 PolarHBondContact O-N 3.33Å
79L50.6Low52Low160 Ų160124.3 Ų124.384%0.83864%0.638SS**THydrogen-bonded Turntrans-85.7-10.4174.7-137.498000113.7R76 L77R76-L79 PolarHBondContact O-N 2.69Å; L77-L79 PolarHBondContact O-N 2.97Å
80L49.1Very low51.3Low140 Ų140126.5 Ų126.573%0.73365%0.645SS**THydrogen-bonded Turntrans-111.6-16.5-176.1-89.6160.6000113.2L77L77-L80 PolarHBondContact O-N 3.42Å
81L51.1Low50.8Low119 Ų119126.1 Ų126.162%0.62364%0.643SS**  trans-136.499.6175.6-150.368.8000109L77 E83L77-L81 PolarHBondContact O-N 2.91Å; L77-L81 VanDerWaalsContact O-N 3.16Å; L81-E83 PolarHBondContact O-N 3.45Å
82P46.2Very low50.3Low79 Ų79120.6 Ų120.651%0.51363%0.628SS.*  trans-69116.7169.827.8-27000107.1V84 E91P82-V84 PolarHBondContact O-N 2.97Å; P82-E91 WeakPolarHBondContact CG-OE1 3.37Å
83E46.1Very low50.2Low165 Ų165121.3 Ų121.377%0.77164%0.637SS**  trans-61.6121.6164.3-73.2-74.6146.600107.2L81 D85L81-E83 PolarHBondContact O-N 3.45Å; E83-D85 PolarHBondContact O-N 2.95Å
84V51.4Low50.3Low128 Ų128120.7 Ų120.778%0.77664%0.641SS**  trans-56.3113177.8-1800000108.7P82P82-V84 PolarHBondContact O-N 2.97Å
85D45.1Very low50.4Low161 Ų161122.1 Ų122.186%0.86165%0.645SS**SBendtrans-177.199.8139.1-91-25.2000110.8E83E83-D85 PolarHBondContact O-N 2.95Å
86G51.1Low50.6Low83 Ų83122.9 Ų122.986%0.85664%0.638SS**SBendtrans103.827.7141.500000121.1
87A47.2Very low51Low50 Ų50117.5 Ų117.541%0.41363%0.626SS.*  trans-148.163.5174.900000114.1E89 E90 E91A87-E89 PolarHBondContact O-N 2.99Å; A87-E90 HydrophobicContact CB-CB 4.42Å; A87-E90 PolarHBondContact O-N 3.01Å; A87-E91 PolarHBondContact O-N 3.31Å
88E50.6Low51.4Low180 Ų180116.9 Ų116.984%0.84163%0.628SS**THydrogen-bonded Turntrans-64.1-8.2179.9-62.2-177.2177.400114.4
89E51.1Low51.8Low180 Ų180114.6 Ų114.684%0.84162%0.618SS**THydrogen-bonded Turntrans-99.2-24.3176.8-65.5-172.7174.800113.9A87A87-E89 PolarHBondContact O-N 2.99Å
90E50.7Low52.1Low145 Ų145113.2 Ų113.268%0.67861%0.607SS**THydrogen-bonded Turntrans-86.9-29.6176.3-89.9-173.7163.200112.6A87 D92 E93 A94A87-E90 HydrophobicContact CB-CB 4.42Å; A87-E90 PolarHBondContact O-N 3.01Å; E90-D92 VanDerWaalsContact C-N 3.25Å; E90-D92 PolarHBondContact O-N 3.34Å; E90-E93 PolarHBondContact O-N 3.12Å; E90-A94 VanDerWaalsContact O-CB 3.32Å; E90-A94 WeakPolarHBondContact O-CB 3.5Å; E90-A94 PolarHBondContact O-N 2.85Å
91E51.2Low52.6Low108 Ų108111.7 Ų111.751%0.50560%0.599SS.*Hα-helixtrans-60-36175.5-97-173.8155.100112.1P82 A87 E93 A94 L95P82-E91 WeakPolarHBondContact CG-OE1 3.37Å; A87-E91 PolarHBondContact O-N 3.31Å; E91-E93 VanDerWaalsContact C-N 3.32Å; E91-E93 PolarHBondContact O-N 2.95Å; E91-A94 PolarHBondContact O-N 3.37Å; E91-L95 WeakPolarHBondContact O-CA 3.25Å; E91-L95 WeakPolarHBondContact O-CB 3.37Å; E91-L95 PolarHBondContact O-N 3.44Å
92D50.8Low52.8Low83 Ų83111.3 Ų111.344%0.44460%0.597SS.*Hα-helixtrans-71.5-30-177.9-130.241.5000112E90 R96E90-D92 VanDerWaalsContact C-N 3.25Å; E90-D92 PolarHBondContact O-N 3.34Å; D92-R96 WeakPolarHBondContact O-CB 3.06Å; D92-R96 WeakPolarHBondContact O-CD 3.39Å; D92-R96 WeakPolarHBondContact O-CG 3.43Å; D92-R96 PolarHBondContact O-N 3.38Å; D92-R96 IonicContact OD2-CZ 3.74Å; D92-R96 IonicContact OD2-NH2 2.85Å; D92-R96 PolarHBondContact OD2-NH2 2.95Å
93E53.6Low53.2Low140 Ų140113.6 Ų113.665%0.65460%0.599SS**Hα-helixtrans-83.6-37.6176-152.9172.7-156.400111.4E90 E91 R96 T97E90-E93 PolarHBondContact O-N 3.12Å; E91-E93 VanDerWaalsContact C-N 3.32Å; E91-E93 PolarHBondContact O-N 2.95Å; E93-R96 PolarHBondContact O-N 3.33Å; E93-T97 WeakPolarHBondContact O-CG2 3.19Å; E93-T97 PolarHBondContact O-N 3.33Å; E93-T97 PolarHBondContact O-OG1 3.38Å
94A56.1Low53.4Low52 Ų52114.9 Ų114.943%0.4360%0.597SS.*Hα-helixtrans-65.8-39.3171.900000112.2E90 E91 T97 A98E90-A94 VanDerWaalsContact O-CB 3.32Å; E90-A94 WeakPolarHBondContact O-CB 3.5Å; E90-A94 PolarHBondContact O-N 2.85Å; E91-A94 PolarHBondContact O-N 3.37Å; A94-T97 VanDerWaalsContact CA-OG1 3.29Å; A94-T97 WeakPolarHBondContact CA-OG1 3.31Å; A94-T97 PolarHBondContact O-N 3.03Å; A94-T97 PolarHBondContact O-OG1 2.87Å; A94-A98 VanDerWaalsContact O-CB 3.23Å; A94-A98 WeakPolarHBondContact O-CB 3.47Å; A94-A98 PolarHBondContact O-N 2.87Å
95L58Low53.5Low97 Ų97112.6 Ų112.651%0.50859%0.587SS.*Hα-helixtrans-68.1-41.8175.1-169.970.9000110.4E91 T97 A98 E99E91-L95 WeakPolarHBondContact O-CA 3.25Å; E91-L95 WeakPolarHBondContact O-CB 3.37Å; E91-L95 PolarHBondContact O-N 3.44Å; L95-T97 VanDerWaalsContact C-N 3.35Å; L95-T97 PolarHBondContact O-N 3.21Å; L95-A98 PolarHBondContact O-N 2.94Å; L95-E99 VanDerWaalsContact O-CB 3.24Å; L95-E99 WeakPolarHBondContact O-CB 3.32Å; L95-E99 WeakPolarHBondContact O-CG 3.35Å; L95-E99 PolarHBondContact O-N 3.4Å
96R56Low53.8Low142 Ų142112.3 Ų112.354%0.53658%0.58SS.*Hα-helixtrans-65.1-35.4174.2-74.6173.3-159.717312.5112.9D92 E93 Q100D92-R96 WeakPolarHBondContact O-CB 3.06Å; D92-R96 WeakPolarHBondContact O-CD 3.39Å; D92-R96 WeakPolarHBondContact O-CG 3.43Å; D92-R96 PolarHBondContact O-N 3.38Å; D92-R96 IonicContact OD2-CZ 3.74Å; D92-R96 IonicContact OD2-NH2 2.85Å; D92-R96 PolarHBondContact OD2-NH2 2.95Å; E93-R96 PolarHBondContact O-N 3.33Å; R96-Q100 WeakPolarHBondContact O-CB 3.48Å; R96-Q100 WeakPolarHBondContact O-CG 3.29Å; R96-Q100 PolarHBondContact O-N 3.27Å
97T57.6Low54Low70 Ų70115.1 Ų115.143%0.42957%0.571SS.*Hα-helixtrans-74.7-37.3175.350.60000112.1E93 A94 L95 Q100 L101E93-T97 WeakPolarHBondContact O-CG2 3.19Å; E93-T97 PolarHBondContact O-N 3.33Å; E93-T97 PolarHBondContact O-OG1 3.38Å; A94-T97 VanDerWaalsContact CA-OG1 3.29Å; A94-T97 WeakPolarHBondContact CA-OG1 3.31Å; A94-T97 PolarHBondContact O-N 3.03Å; A94-T97 PolarHBondContact O-OG1 2.87Å; L95-T97 VanDerWaalsContact C-N 3.35Å; L95-T97 PolarHBondContact O-N 3.21Å; T97-Q100 PolarHBondContact O-N 3.13Å; T97-L101 WeakPolarHBondContact O-CB 3.42Å; T97-L101 WeakPolarHBondContact O-CG 3.13Å; T97-L101 PolarHBondContact O-N 2.87Å
98A57.5Low54.6Low41 Ų41117.2 Ų117.234%0.33958%0.581SS.*Hα-helixtrans-64.7-41.6170.700000111.6A94 L95 L101 L102A94-A98 VanDerWaalsContact O-CB 3.23Å; A94-A98 WeakPolarHBondContact O-CB 3.47Å; A94-A98 PolarHBondContact O-N 2.87Å; L95-A98 PolarHBondContact O-N 2.94Å; A98-L101 PolarHBondContact O-N 3.48Å; A98-L102 VanDerWaalsContact O-CB 3.32Å; A98-L102 WeakPolarHBondContact O-CB 3.42Å; A98-L102 VanDerWaalsContact O-CG 3.27Å; A98-L102 WeakPolarHBondContact O-CG 3.4Å; A98-L102 PolarHBondContact O-N 2.92Å
99E56.8Low54.7Low83 Ų83112.8 Ų112.839%0.38857%0.567SS.*Hα-helixtrans-64.3-37.8172.1-78.4-177.7-170.900112L95 K103L95-E99 VanDerWaalsContact O-CB 3.24Å; L95-E99 WeakPolarHBondContact O-CB 3.32Å; L95-E99 WeakPolarHBondContact O-CG 3.35Å; L95-E99 PolarHBondContact O-N 3.4Å; E99-K103 VanDerWaalsContact O-CB 3.25Å; E99-K103 WeakPolarHBondContact O-CB 3.2Å; E99-K103 WeakPolarHBondContact O-CD 3.2Å; E99-K103 WeakPolarHBondContact O-CG 3.28Å; E99-K103 PolarHBondContact O-N 3.35Å; E99-K103 IonicContact OE2-NZ 3.91Å
100Q57.9Low55.1Low131 Ų131110.5 Ų110.561%0.61256%0.56SS**Hα-helixtrans-69-35.8173.5-78.7172.918.400112.1R96 T97 R104R96-Q100 WeakPolarHBondContact O-CB 3.48Å; R96-Q100 WeakPolarHBondContact O-CG 3.29Å; R96-Q100 PolarHBondContact O-N 3.27Å; T97-Q100 PolarHBondContact O-N 3.13Å; Q100-R104 WeakPolarHBondContact O-CB 3.35Å; Q100-R104 PolarHBondContact O-N 3.1Å
101L58.4Low55.6Low108 Ų108107.3 Ų107.357%0.56555%0.554SS**Hα-helixtrans-70.5-37.6173.8-75.9171.3000112.1T97 A98 R104 S105T97-L101 WeakPolarHBondContact O-CB 3.42Å; T97-L101 WeakPolarHBondContact O-CG 3.13Å; T97-L101 PolarHBondContact O-N 2.87Å; A98-L101 PolarHBondContact O-N 3.48Å; L101-R104 CarbonylContact O-C 3.5Å; L101-R104 WeakPolarHBondContact O-CB 3.49Å; L101-R104 PolarHBondContact O-N 2.96Å; L101-S105 PolarHBondContact O-N 3.38Å
102L55.2Low56.3Low111 Ų111106.5 Ų106.558%0.58155%0.552SS**Hα-helixtrans-69.1-40.4173.4-75.6166.2000111.4A98 R104 S105 E106A98-L102 VanDerWaalsContact O-CB 3.32Å; A98-L102 WeakPolarHBondContact O-CB 3.42Å; A98-L102 VanDerWaalsContact O-CG 3.27Å; A98-L102 WeakPolarHBondContact O-CG 3.4Å; A98-L102 PolarHBondContact O-N 2.92Å; L102-R104 VanDerWaalsContact C-N 3.25Å; L102-R104 PolarHBondContact O-N 3.35Å; L102-S105 WeakPolarHBondContact CA-OG 3.29Å; L102-S105 CarbonylContact O-C 3.51Å; L102-S105 WeakPolarHBondContact O-CA 3.09Å; L102-S105 WeakPolarHBondContact O-CB 3.31Å; L102-S105 PolarHBondContact O-N 2.97Å; L102-S105 PolarHBondContact O-OG 3.25Å; L102-E106 PolarHBondContact O-N 3.46Å; L102-E106 VanDerWaalsContact O-N 3.14Å
103K54.5Low57.8Low127 Ų127108.4 Ų108.455%0.55256%0.562SS**Hα-helixtrans-64.1-28.8169.8-76167.1-179.3160.50112.3E99 S105 E106E99-K103 VanDerWaalsContact O-CB 3.25Å; E99-K103 WeakPolarHBondContact O-CB 3.2Å; E99-K103 WeakPolarHBondContact O-CD 3.2Å; E99-K103 WeakPolarHBondContact O-CG 3.28Å; E99-K103 PolarHBondContact O-N 3.35Å; E99-K103 IonicContact OE2-NZ 3.91Å; K103-S105 VanDerWaalsContact C-N 3.32Å; K103-E106 PolarHBondContact O-N 3.18Å
104R51.1Low59.3Low192 Ų192106.3 Ų106.373%0.72556%0.555SS**Hα-helixtrans-77.3-16.5169.5-133178.575.7-1742.8113.4Q100 L101 L102Q100-R104 WeakPolarHBondContact O-CB 3.35Å; Q100-R104 PolarHBondContact O-N 3.1Å; L101-R104 CarbonylContact O-C 3.5Å; L101-R104 WeakPolarHBondContact O-CB 3.49Å; L101-R104 PolarHBondContact O-N 2.96Å; L102-R104 VanDerWaalsContact C-N 3.25Å; L102-R104 PolarHBondContact O-N 3.35Å
105S53.3Low60.8Low81 Ų81108.1 Ų108.157%0.56656%0.561SS**THydrogen-bonded Turntrans-88.6-4.9170.173.70000113.8L101 L102 K103 E107L101-S105 PolarHBondContact O-N 3.38Å; L102-S105 WeakPolarHBondContact CA-OG 3.29Å; L102-S105 CarbonylContact O-C 3.51Å; L102-S105 WeakPolarHBondContact O-CA 3.09Å; L102-S105 WeakPolarHBondContact O-CB 3.31Å; L102-S105 PolarHBondContact O-N 2.97Å; L102-S105 PolarHBondContact O-OG 3.25Å; K103-S105 VanDerWaalsContact C-N 3.32Å; S105-E107 PolarHBondContact O-N 3.35Å
106E52.4Low62.1Low154 Ų154109.4 Ų109.472%0.7256%0.563SS**  trans-78.8-5.6170.7-68.6-171.6170.700112.5L102 K103 P108L102-E106 PolarHBondContact O-N 3.46Å; L102-E106 VanDerWaalsContact O-N 3.14Å; K103-E106 PolarHBondContact O-N 3.18Å; E106-P108 WeakPolarHBondContact O-CD 3.47Å
107E54.1Low63.8Low143 Ų143107.6 Ų107.667%0.66856%0.56SS**SBendtrans-74.3109.8168.2-140.2163.9-148.400107.8S105S105-E107 PolarHBondContact O-N 3.35Å
108P59.2Low65.5Low94 Ų94108.7 Ų108.761%0.6156%0.563SS**  trans-56.4146.8-176.423.4-32.5000109.1E106 L110E106-P108 WeakPolarHBondContact O-CD 3.47Å; P108-L110 VanDerWaalsContact C-N 3.27Å; P108-L110 PolarHBondContact O-N 3.27Å
109P54.4Low67.4Low86 Ų86110.9 Ų110.956%0.55857%0.568SS**  trans-64.589.1-176.227.7-34.5000109.8S111 I112P109-S111 PolarHBondContact O-N 2.83Å; P109-I112 HydrophobicContact CB-CG2 4.3Å; P109-I112 HydrophobicContact CG-CG2 4Å; P109-I112 PolarHBondContact O-N 3.47Å
110L58.8Low69.2Low132 Ų132114.9 Ų114.969%0.69158%0.58SS**Hα-helixtrans-56.9-15.9176-80.9163000112P108 L114P108-L110 VanDerWaalsContact C-N 3.27Å; P108-L110 PolarHBondContact O-N 3.27Å; L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 PolarHBondContact O-N 3.26Å
111S60Low71Confident79 Ų79111.3 Ų111.355%0.55257%0.565SS**Hα-helixtrans-84.9-28.6-176.258.30000115P109 T115P109-S111 PolarHBondContact O-N 2.83Å; S111-T115 WeakPolarHBondContact O-CB 3.3Å; S111-T115 PolarHBondContact O-N 3.01Å; S111-T115 VanDerWaalsContact O-N 3.15Å; S111-T115 PolarHBondContact O-OG1 3.47Å
112I67.1Low72.8Confident90 Ų90111.9 Ų111.946%0.46257%0.566SS.*Hα-helixtrans-73.6-48.2-178.7-165.5162.8000110P109 L114 T115 F116P109-I112 HydrophobicContact CB-CG2 4.3Å; P109-I112 HydrophobicContact CG-CG2 4Å; P109-I112 PolarHBondContact O-N 3.47Å; I112-L114 PolarHBondContact O-N 3.15Å; I112-T115 PolarHBondContact O-N 2.92Å; I112-F116 HydrophobicContact CD1-CE2 4.22Å; I112-F116 HydrophobicContact CG1-CD2 3.92Å; I112-F116 HydrophobicContact CG1-CE2 3.58Å; I112-F116 WeakPolarHBondContact O-CD2 3.37Å; I112-F116 PolarHBondContact O-N 2.9Å
113D81.3Confident74.8Confident123 Ų123111.6 Ų111.666%0.65856%0.564SS**Hα-helixtrans-67.9-36.9179.9-76-3.2000111.9F116 H117D113-F116 PolarHBondContact O-N 3.43Å; D113-H117 WeakPolarHBondContact O-CB 3.48Å; D113-H117 PolarHBondContact O-N 3.41Å
114L85.8Confident76.9Confident97 Ų97110.4 Ų110.451%0.50856%0.56SS.*Hα-helixtrans-66.1-42176.7-177.659.8000112L110 I112 F116 H117 L118L110-L114 WeakPolarHBondContact O-CB 3.46Å; L110-L114 PolarHBondContact O-N 3.26Å; I112-L114 PolarHBondContact O-N 3.15Å; L114-F116 VanDerWaalsContact C-N 3.35Å; L114-F116 PolarHBondContact O-N 3.18Å; L114-H117 PolarHBondContact O-N 2.91Å; L114-L118 HydrophobicContact CD1-CD1 4.42Å; L114-L118 HydrophobicContact CD1-CG 4.25Å; L114-L118 HydrophobicContact CG-CD1 4.24Å; L114-L118 HydrophobicContact CG-CG 4.5Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.28Å; L114-L118 PolarHBondContact O-N 3.39Å
115T86.6Confident79Confident90 Ų90106.2 Ų106.255%0.55255%0.551SS**Hα-helixtrans-61.5-45.3178.3-56.50000110.9S111 I112 L119S111-T115 WeakPolarHBondContact O-CB 3.3Å; S111-T115 PolarHBondContact O-N 3.01Å; S111-T115 VanDerWaalsContact O-N 3.15Å; S111-T115 PolarHBondContact O-OG1 3.47Å; I112-T115 PolarHBondContact O-N 2.92Å; T115-L119 WeakPolarHBondContact O-CB 3.21Å; T115-L119 PolarHBondContact O-N 2.79Å
116F86.6Confident81.1Confident123 Ų123105 Ų10554%0.53955%0.545SS..Hα-helixtrans-68.8-35.6176.1-73.5-64.7000113I112 D113 L114 L119 R120I112-F116 HydrophobicContact CD1-CE2 4.22Å; I112-F116 HydrophobicContact CG1-CD2 3.92Å; I112-F116 HydrophobicContact CG1-CE2 3.58Å; I112-F116 WeakPolarHBondContact O-CD2 3.37Å; I112-F116 PolarHBondContact O-N 2.9Å; D113-F116 PolarHBondContact O-N 3.43Å; L114-F116 VanDerWaalsContact C-N 3.35Å; L114-F116 PolarHBondContact O-N 3.18Å; F116-L119 PolarHBondContact O-N 3.48Å; F116-R120 VanDerWaalsContact O-CB 3.29Å; F116-R120 WeakPolarHBondContact O-CB 3.38Å; F116-R120 PolarHBondContact O-N 2.95Å
117H91.4Very high83.3Confident104 Ų104104.8 Ų104.848%0.48154%0.542SS..Hα-helixtrans-61.1-47.5174.5-179.475.6000111.6D113 L114 R120 N121D113-H117 WeakPolarHBondContact O-CB 3.48Å; D113-H117 PolarHBondContact O-N 3.41Å; L114-H117 PolarHBondContact O-N 2.91Å; H117-R120 PolarHBondContact O-N 2.75Å; H117-N121 PolarHBondContact CD2-ND2 3.29Å; H117-N121 VanDerWaalsContact CD2-ND2 3.35Å; H117-N121 PolarHBondContact NE2-ND2 3.08Å; H117-N121 PolarHBondContact O-N 3.47Å; H117-N121 PolarHBondContact O-ND2 2.85Å
118L93.9Very high85.4Confident93 Ų93103.7 Ų103.749%0.48754%0.538SS..Hα-helixtrans-61.8-47.2176.2-69172.6000111.4L114 R120 N121 M122L114-L118 HydrophobicContact CD1-CD1 4.42Å; L114-L118 HydrophobicContact CD1-CG 4.25Å; L114-L118 HydrophobicContact CG-CD1 4.24Å; L114-L118 HydrophobicContact CG-CG 4.5Å; L114-L118 VanDerWaalsContact O-CG 3.31Å; L114-L118 WeakPolarHBondContact O-CG 3.28Å; L114-L118 PolarHBondContact O-N 3.39Å; L118-R120 VanDerWaalsContact C-N 3.3Å; L118-R120 PolarHBondContact O-N 3.29Å; L118-N121 PolarHBondContact O-N 2.68Å; L118-M122 WeakPolarHBondContact O-CG 3.43Å; L118-M122 PolarHBondContact O-N 3.2Å
119L95.6Very high87.1Confident88 Ų88105 Ų10546%0.46154%0.536SS..Hα-helixtrans-59.3-43.1177.6-175.963.8000111.4T115 F116 M122 I123T115-L119 WeakPolarHBondContact O-CB 3.21Å; T115-L119 PolarHBondContact O-N 2.79Å; F116-L119 PolarHBondContact O-N 3.48Å; L119-M122 PolarHBondContact O-N 3.43Å; L119-I123 HydrophobicContact CD1-CD1 4.21Å; L119-I123 HydrophobicContact CD1-CG1 4.49Å; L119-I123 HydrophobicContact CG-CD1 3.94Å; L119-I123 VanDerWaalsContact O-CG1 3.28Å; L119-I123 WeakPolarHBondContact O-CG1 3.39Å; L119-I123 PolarHBondContact O-N 2.87Å
120R94.9Very high89.1Confident167 Ų167104.4 Ų104.463%0.6353%0.534SS*.Hα-helixtrans-61.6-45.9176.6-176.8169.6-64.6-1681.6111.6F116 H117 L118 I123 Q124F116-R120 VanDerWaalsContact O-CB 3.29Å; F116-R120 WeakPolarHBondContact O-CB 3.38Å; F116-R120 PolarHBondContact O-N 2.95Å; H117-R120 PolarHBondContact O-N 2.75Å; L118-R120 VanDerWaalsContact C-N 3.3Å; L118-R120 PolarHBondContact O-N 3.29Å; R120-I123 PolarHBondContact O-N 2.94Å; R120-Q124 WeakPolarHBondContact O-CB 3.27Å; R120-Q124 VanDerWaalsContact O-CG 3.26Å; R120-Q124 WeakPolarHBondContact O-CG 3.32Å; R120-Q124 PolarHBondContact O-N 3.03Å
121N95.8Very high91Very high55 Ų55104.7 Ų104.729%0.29453%0.532SS..Hα-helixtrans-61.2-44.6176.1-76.7-29.4000111.5H117 L118 I123 Q124 M125H117-N121 PolarHBondContact CD2-ND2 3.29Å; H117-N121 VanDerWaalsContact CD2-ND2 3.35Å; H117-N121 PolarHBondContact NE2-ND2 3.08Å; H117-N121 PolarHBondContact O-N 3.47Å; H117-N121 PolarHBondContact O-ND2 2.85Å; L118-N121 PolarHBondContact O-N 2.68Å; N121-I123 PolarHBondContact O-N 3.01Å; N121-Q124 PolarHBondContact O-N 2.99Å; N121-M125 HydrophobicContact CB-CE 4.48Å; N121-M125 WeakPolarHBondContact O-CB 3.31Å; N121-M125 WeakPolarHBondContact O-CG 3.27Å; N121-M125 PolarHBondContact O-N 2.95Å
122M97.1Very high92.7Very high120 Ų120109 Ų10959%0.59154%0.536SS*.Hα-helixtrans-61-45178-71.5177.96900112L118 L119 Q124 M125 A126L118-M122 WeakPolarHBondContact O-CG 3.43Å; L118-M122 PolarHBondContact O-N 3.2Å; L119-M122 PolarHBondContact O-N 3.43Å; M122-Q124 VanDerWaalsContact C-N 3.35Å; M122-M125 HydrophobicContact CG-CE 4.37Å; M122-M125 PolarHBondContact O-N 2.67Å; M122-A126 WeakPolarHBondContact O-CB 3.22Å; M122-A126 PolarHBondContact O-N 3.3Å
123I97.8Very high94.2Very high105 Ų105109.8 Ų109.854%0.53854%0.538SS..Hα-helixtrans-63.3-42.8176.8-68.2167.2000110.8L119 R120 N121 A126 K127L119-I123 HydrophobicContact CD1-CD1 4.21Å; L119-I123 HydrophobicContact CD1-CG1 4.49Å; L119-I123 HydrophobicContact CG-CD1 3.94Å; L119-I123 VanDerWaalsContact O-CG1 3.28Å; L119-I123 WeakPolarHBondContact O-CG1 3.39Å; L119-I123 PolarHBondContact O-N 2.87Å; R120-I123 PolarHBondContact O-N 2.94Å; N121-I123 PolarHBondContact O-N 3.01Å; I123-A126 PolarHBondContact O-N 3.35Å; I123-K127 WeakPolarHBondContact O-CB 3.34Å; I123-K127 PolarHBondContact O-N 3.47Å
124Q96.8Very high94.9Very high102 Ų102108.7 Ų108.748%0.47753%0.529SS..Hα-helixtrans-62.4-44.9177.5-75.6176.2-9.500111.7R120 N121 M122 K127 M128R120-Q124 WeakPolarHBondContact O-CB 3.27Å; R120-Q124 VanDerWaalsContact O-CG 3.26Å; R120-Q124 WeakPolarHBondContact O-CG 3.32Å; R120-Q124 PolarHBondContact O-N 3.03Å; N121-Q124 PolarHBondContact O-N 2.99Å; M122-Q124 VanDerWaalsContact C-N 3.35Å; Q124-K127 PolarHBondContact O-N 3.37Å; Q124-M128 WeakPolarHBondContact O-CG 3.43Å; Q124-M128 PolarHBondContact O-N 3.15Å; Q124-M128 VanDerWaalsContact O-N 3.07Å
125M96.9Very high95.4Very high105 Ų105106.8 Ų106.852%0.51753%0.527SS..Hα-helixtrans-61.7-49.1175.8-72.7-174.2-68.400111.6N121 M122 K127 M128 E129N121-M125 HydrophobicContact CB-CE 4.48Å; N121-M125 WeakPolarHBondContact O-CB 3.31Å; N121-M125 WeakPolarHBondContact O-CG 3.27Å; N121-M125 PolarHBondContact O-N 2.95Å; M122-M125 HydrophobicContact CG-CE 4.37Å; M122-M125 PolarHBondContact O-N 2.67Å; M125-K127 VanDerWaalsContact C-N 3.27Å; M125-K127 PolarHBondContact O-N 3.05Å; M125-M128 HydrophobicContact CG-CE 4.39Å; M125-M128 PolarHBondContact O-N 3.3Å; M125-M128 VanDerWaalsContact O-N 3.16Å; M125-E129 WeakPolarHBondContact O-CB 3.37Å; M125-E129 PolarHBondContact O-N 3.44Å
126A97.4Very high95.9Very high55 Ų55107.5 Ų107.546%0.45552%0.524SS..Hα-helixtrans-58.8-39178.600000112.3M122 I123 S130M122-A126 WeakPolarHBondContact O-CB 3.22Å; M122-A126 PolarHBondContact O-N 3.3Å; I123-A126 PolarHBondContact O-N 3.35Å; A126-S130 WeakPolarHBondContact O-CB 3.21Å; A126-S130 PolarHBondContact O-N 3.42Å
127K97.6Very high96.3Very high150 Ų150106.3 Ų106.365%0.65252%0.523SS*.Hα-helixtrans-65.1-45.5176.2-176.1177.8178178.90112.2I123 Q124 M125 E129 Q131I123-K127 WeakPolarHBondContact O-CB 3.34Å; I123-K127 PolarHBondContact O-N 3.47Å; Q124-K127 PolarHBondContact O-N 3.37Å; M125-K127 VanDerWaalsContact C-N 3.27Å; M125-K127 PolarHBondContact O-N 3.05Å; K127-E129 VanDerWaalsContact C-N 3.35Å; K127-Q131 WeakPolarHBondContact O-CB 3.24Å; K127-Q131 PolarHBondContact O-N 3.14Å
128M97.4Very high96.5Very high119 Ų119105.2 Ų105.259%0.58652%0.52SS*.Hα-helixtrans-64.9-40.9178.4-71.2-173.4-64.200111.8Q124 M125 Q131 R132Q124-M128 WeakPolarHBondContact O-CG 3.43Å; Q124-M128 PolarHBondContact O-N 3.15Å; Q124-M128 VanDerWaalsContact O-N 3.07Å; M125-M128 HydrophobicContact CG-CE 4.39Å; M125-M128 PolarHBondContact O-N 3.3Å; M125-M128 VanDerWaalsContact O-N 3.16Å; M128-Q131 PolarHBondContact O-N 2.81Å; M128-R132 WeakPolarHBondContact O-CB 3.48Å; M128-R132 PolarHBondContact O-N 2.62Å
129E96.6Very high96.6Very high122 Ų122109.1 Ų109.157%0.5753%0.529SS*.Hα-helixtrans-63.4-49.2177.3-174.2165-145.200111.2M125 K127 Q131 R132 E133M125-E129 WeakPolarHBondContact O-CB 3.37Å; M125-E129 PolarHBondContact O-N 3.44Å; K127-E129 VanDerWaalsContact C-N 3.35Å; E129-Q131 VanDerWaalsContact C-N 3.33Å; E129-Q131 PolarHBondContact O-N 3.5Å; E129-R132 WeakPolarHBondContact O-CB 3.19Å; E129-R132 PolarHBondContact O-N 2.94Å; E129-R132 VanDerWaalsContact O-N 3.11Å; E129-E133 WeakPolarHBondContact O-CG 3.49Å; E129-E133 PolarHBondContact O-N 3.37Å
130S96.1Very high96.6Very high73 Ų73110.9 Ų110.951%0.5153%0.533SS..Hα-helixtrans-58.5-42.7175.61760000112.5A126 R132 E133 Q134A126-S130 WeakPolarHBondContact O-CB 3.21Å; A126-S130 PolarHBondContact O-N 3.42Å; S130-R132 VanDerWaalsContact C-N 3.34Å; S130-R132 PolarHBondContact O-N 2.99Å; S130-E133 PolarHBondContact O-N 3.26Å; S130-Q134 WeakPolarHBondContact O-CB 3.33Å; S130-Q134 PolarHBondContact O-N 2.94Å
131Q97.4Very high96.5Very high138 Ų138106.7 Ų106.765%0.64553%0.525SS*.Hα-helixtrans-65.1-39.5176.9-173.81775.100111.8K127 M128 E129 Q134 A135K127-Q131 WeakPolarHBondContact O-CB 3.24Å; K127-Q131 PolarHBondContact O-N 3.14Å; M128-Q131 PolarHBondContact O-N 2.81Å; E129-Q131 VanDerWaalsContact C-N 3.33Å; E129-Q131 PolarHBondContact O-N 3.5Å; Q131-Q134 PolarHBondContact O-N 2.8Å; Q131-A135 WeakPolarHBondContact O-CB 3.44Å; Q131-A135 PolarHBondContact O-N 3.23Å
132R97.2Very high96.4Very high171 Ų171110 Ų11065%0.64554%0.542SS*.Hα-helixtrans-63.2-45.8176178.9-176.217383.50.2111.1M128 E129 S130 A135 Q136M128-R132 WeakPolarHBondContact O-CB 3.48Å; M128-R132 PolarHBondContact O-N 2.62Å; E129-R132 WeakPolarHBondContact O-CB 3.19Å; E129-R132 PolarHBondContact O-N 2.94Å; E129-R132 VanDerWaalsContact O-N 3.11Å; S130-R132 VanDerWaalsContact C-N 3.34Å; S130-R132 PolarHBondContact O-N 2.99Å; R132-A135 PolarHBondContact O-N 3.47Å; R132-Q136 WeakPolarHBondContact O-CG 3.41Å; R132-Q136 PolarHBondContact O-N 2.75Å
133E97Very high96.2Very high105 Ų105108.5 Ų108.549%0.49154%0.537SS..Hα-helixtrans-60.8-47175.6-71.7-177.6165.200111.3E129 S130 A135 Q136 L137E129-E133 WeakPolarHBondContact O-CG 3.49Å; E129-E133 PolarHBondContact O-N 3.37Å; S130-E133 PolarHBondContact O-N 3.26Å; E133-A135 VanDerWaalsContact C-N 3.29Å; E133-A135 PolarHBondContact O-N 3.45Å; E133-Q136 WeakPolarHBondContact O-CB 3.25Å; E133-Q136 PolarHBondContact O-N 3.36Å; E133-Q136 VanDerWaalsContact O-N 3.08Å; E133-L137 WeakPolarHBondContact O-CG 3.23Å; E133-L137 PolarHBondContact O-N 2.88Å
134Q96.9Very high96Very high101 Ų101109.1 Ų109.147%0.47254%0.537SS..Hα-helixtrans-59.2-41176.8-17363.937.800111.8S130 Q131 Q136 L137 N138S130-Q134 WeakPolarHBondContact O-CB 3.33Å; S130-Q134 PolarHBondContact O-N 2.94Å; Q131-Q134 PolarHBondContact O-N 2.8Å; Q134-Q136 VanDerWaalsContact C-N 3.34Å; Q134-Q136 PolarHBondContact O-N 3.16Å; Q134-L137 PolarHBondContact O-N 3.05Å; Q134-N138 PolarHBondContact NE2-OD1 3.19Å; Q134-N138 WeakPolarHBondContact O-CB 3.49Å; Q134-N138 PolarHBondContact O-N 3.21Å; Q134-N138 PolarHBondContact O-OD1 3.35Å
135A96.3Very high95.5Very high57 Ų57109.6 Ų109.647%0.47155%0.547SS..Hα-helixtrans-64.4-38.4176.100000112.2Q131 R132 E133 N138 R139Q131-A135 WeakPolarHBondContact O-CB 3.44Å; Q131-A135 PolarHBondContact O-N 3.23Å; R132-A135 PolarHBondContact O-N 3.47Å; E133-A135 VanDerWaalsContact C-N 3.29Å; E133-A135 PolarHBondContact O-N 3.45Å; A135-N138 PolarHBondContact O-N 3.27Å; A135-R139 WeakPolarHBondContact O-CB 3.44Å; A135-R139 PolarHBondContact O-N 3.43Å
136Q96.3Very high94.3Very high104 Ų104108 Ų10849%0.48656%0.557SS.*Hα-helixtrans-65.6-42174.6-70.9175.1-100111.9R132 E133 Q134 R139 K140R132-Q136 WeakPolarHBondContact O-CG 3.41Å; R132-Q136 PolarHBondContact O-N 2.75Å; E133-Q136 WeakPolarHBondContact O-CB 3.25Å; E133-Q136 PolarHBondContact O-N 3.36Å; E133-Q136 VanDerWaalsContact O-N 3.08Å; Q134-Q136 VanDerWaalsContact C-N 3.34Å; Q134-Q136 PolarHBondContact O-N 3.16Å; Q136-R139 PolarHBondContact O-N 2.75Å; Q136-K140 PolarHBondContact O-N 3.31Å
137L96.3Very high92.3Very high99 Ų99116.4 Ų116.452%0.51858%0.584SS.*Hα-helixtrans-62.7-47.5174.5-67.9176.5000111.1E133 Q134 R139 K140 V141E133-L137 WeakPolarHBondContact O-CG 3.23Å; E133-L137 PolarHBondContact O-N 2.88Å; Q134-L137 PolarHBondContact O-N 3.05Å; L137-R139 VanDerWaalsContact C-N 3.28Å; L137-R139 PolarHBondContact O-N 3.28Å; L137-K140 PolarHBondContact O-N 2.82Å; L137-K140 VanDerWaalsContact O-N 3.11Å; L137-V141 WeakPolarHBondContact O-CG2 3.06Å; L137-V141 PolarHBondContact O-N 2.85Å
138N95.1Very high92Very high80 Ų80114.8 Ų114.843%0.42858%0.58SS.*Hα-helixtrans-58.4-41.6177.2-70.6-5.5000111.5Q134 A135 V141 L142Q134-N138 PolarHBondContact NE2-OD1 3.19Å; Q134-N138 WeakPolarHBondContact O-CB 3.49Å; Q134-N138 PolarHBondContact O-N 3.21Å; Q134-N138 PolarHBondContact O-OD1 3.35Å; A135-N138 PolarHBondContact O-N 3.27Å; N138-V141 PolarHBondContact O-N 2.91Å; N138-L142 WeakPolarHBondContact O-CG 3.12Å; N138-L142 PolarHBondContact O-N 3.17Å
139R95.4Very high91.7Very high176 Ų176114.5 Ų114.566%0.66458%0.58SS**Hα-helixtrans-59.3-48.5174.7178.5179.4174179.51.2111.4A135 Q136 L137 V141 L142 D143A135-R139 WeakPolarHBondContact O-CB 3.44Å; A135-R139 PolarHBondContact O-N 3.43Å; Q136-R139 PolarHBondContact O-N 2.75Å; L137-R139 VanDerWaalsContact C-N 3.28Å; L137-R139 PolarHBondContact O-N 3.28Å; R139-V141 VanDerWaalsContact C-N 3.31Å; R139-V141 PolarHBondContact O-N 3.47Å; R139-L142 PolarHBondContact O-N 3.38Å; R139-D143 IonicContact NE-OD2 3.89Å; R139-D143 VanDerWaalsContact O-CG 3.26Å; R139-D143 PolarHBondContact O-N 2.97Å
140K95.3Very high91.5Very high125 Ų125114.1 Ų114.154%0.54358%0.58SS.*Hα-helixtrans-60-43178.7-174.9178.8174.6-174.30111.7Q136 L137 D143 E144Q136-K140 PolarHBondContact O-N 3.31Å; L137-K140 PolarHBondContact O-N 2.82Å; L137-K140 VanDerWaalsContact O-N 3.11Å; K140-D143 PolarHBondContact O-N 2.85Å; K140-E144 WeakPolarHBondContact CE-OE1 3.19Å; K140-E144 WeakPolarHBondContact O-CG 3.37Å; K140-E144 PolarHBondContact O-N 3.45Å
141V94.5Very high91.2Very high78 Ų78116.5 Ų116.547%0.47359%0.585SS.*Hα-helixtrans-62.3-44.3176.3172.50000111.1L137 N138 R139 D143 E144 V145L137-V141 WeakPolarHBondContact O-CG2 3.06Å; L137-V141 PolarHBondContact O-N 2.85Å; N138-V141 PolarHBondContact O-N 2.91Å; R139-V141 VanDerWaalsContact C-N 3.31Å; R139-V141 PolarHBondContact O-N 3.47Å; V141-D143 VanDerWaalsContact C-N 3.34Å; V141-D143 PolarHBondContact O-N 2.92Å; V141-E144 PolarHBondContact O-N 3.4Å; V141-V145 HydrophobicContact CG1-CG2 4.13Å; V141-V145 WeakPolarHBondContact O-CB 3.33Å; V141-V145 VanDerWaalsContact O-CG2 3.3Å; V141-V145 WeakPolarHBondContact O-CG2 3.32Å; V141-V145 PolarHBondContact O-N 3.27Å
142L93.1Very high90.8Very high124 Ų124115.2 Ų115.265%0.64958%0.581SS**Hα-helixtrans-63.6-39.1176-72172.8000112.2N138 R139 E144 G146N138-L142 WeakPolarHBondContact O-CG 3.12Å; N138-L142 PolarHBondContact O-N 3.17Å; R139-L142 PolarHBondContact O-N 3.38Å; L142-E144 VanDerWaalsContact C-N 3.27Å; L142-E144 PolarHBondContact O-N 2.9Å; L142-G146 WeakPolarHBondContact O-CA 3.29Å; L142-G146 PolarHBondContact O-N 3.28Å
143D93.5Very high90.4Very high89 Ų89111.5 Ų111.548%0.47658%0.576SS.*Hα-helixtrans-67.8-27.6176.8-69-19.4000112.4R139 K140 V141 K147R139-D143 IonicContact NE-OD2 3.89Å; R139-D143 VanDerWaalsContact O-CG 3.26Å; R139-D143 PolarHBondContact O-N 2.97Å; K140-D143 PolarHBondContact O-N 2.85Å; V141-D143 VanDerWaalsContact C-N 3.34Å; V141-D143 PolarHBondContact O-N 2.92Å; D143-K147 WeakPolarHBondContact O-CE 3.41Å; D143-K147 WeakPolarHBondContact O-CG 3.35Å
144E92Very high89.9Confident118 Ų118111.9 Ų111.955%0.55158%0.583SS**Hα-helixtrans-82.8-41.8175.7-74.9175.6-173.300112.5K140 V141 L142K140-E144 WeakPolarHBondContact CE-OE1 3.19Å; K140-E144 WeakPolarHBondContact O-CG 3.37Å; K140-E144 PolarHBondContact O-N 3.45Å; V141-E144 PolarHBondContact O-N 3.4Å; L142-E144 VanDerWaalsContact C-N 3.27Å; L142-E144 PolarHBondContact O-N 2.9Å
145V86.2Confident89.4Confident112 Ų112112.8 Ų112.868%0.67959%0.591SS**Hα-helixtrans-81.9-25.1-178.6176.40000112.3V141 K147V141-V145 HydrophobicContact CG1-CG2 4.13Å; V141-V145 WeakPolarHBondContact O-CB 3.33Å; V141-V145 VanDerWaalsContact O-CG2 3.3Å; V141-V145 WeakPolarHBondContact O-CG2 3.32Å; V141-V145 PolarHBondContact O-N 3.27Å; V145-K147 VanDerWaalsContact C-N 3.3Å; V145-K147 PolarHBondContact O-N 3.06Å
146G72.9Confident88.8Confident71 Ų71117.4 Ų117.473%0.73260%0.601SS**THydrogen-bonded Turntrans-83.63.2179.200000115.1L142L142-G146 WeakPolarHBondContact O-CA 3.29Å; L142-G146 PolarHBondContact O-N 3.28Å
147K55.1Low88.1Confident233 Ų233118.6 Ų118.6100%1.01361%0.612SS**  trans-98.30170-71.7177.9-175.6-178.60110.3D143 V145D143-K147 WeakPolarHBondContact O-CE 3.41Å; D143-K147 WeakPolarHBondContact O-CG 3.35Å; V145-K147 VanDerWaalsContact C-N 3.3Å; V145-K147 PolarHBondContact O-N 3.06Å

Retrieved 147 of 147 residues in 148 ms (Link to these results)