A0A087X6Q9_POEFO Loading...

Cysteine sulfinic acid decarboxylase

AlphaFold DB , UniProt , Accession A0A087X6Q9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 494 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M42.9Very low60.2Low241 Ų241130.8 Ų130.8100%1.18776%0.755SS**  01260-72.4175.3-157.500106.1
2E42.2Very low62Low183 Ų183132.9 Ų132.986%0.85576%0.761SS**  trans-57.8134.2171.8-75.2176156.100108.5T4E2-T4 PolarHBondContact O-N 2.96Å; E2-T4 VanDerWaalsContact O-N 3.14Å
3P51.1Low63.6Low100 Ų100132.2 Ų132.265%0.64975%0.751SS**  trans-63.1118.81740.79.6000107.7T5P3-T5 PolarHBondContact O-N 3.11Å
4T49.8Very low65.2Low117 Ų117128.9 Ų128.972%0.71873%0.73SS**  trans-62.7104.7170.736.20000108.1E2 G6E2-T4 PolarHBondContact O-N 2.96Å; E2-T4 VanDerWaalsContact O-N 3.14Å; T4-G6 PolarHBondContact O-N 3.02Å
5T56.6Low66.8Low145 Ų145129 Ų12989%0.8972%0.722SS**THydrogen-bonded Turntrans-68.127-173.852.10000114.6P3P3-T5 PolarHBondContact O-N 3.11Å
6G57.6Low68.4Low69 Ų69124.6 Ų124.671%0.71171%0.706SS**THydrogen-bonded Turntrans-137.70.3-17400000115.2T4T4-G6 PolarHBondContact O-N 3.02Å
7D63Low69.8Low83 Ų83122.2 Ų122.244%0.44469%0.691SS.*  trans-90.7112.3174.6-161.5-19000110.3T9D7-T9 VanDerWaalsContact OD1-CB 3.28Å; D7-T9 WeakPolarHBondContact OD1-CB 3.31Å; D7-T9 WeakPolarHBondContact OD1-CG2 3.27Å; D7-T9 PolarHBondContact OD1-N 2.98Å; D7-T9 PolarHBondContact OD1-OG1 3.09Å; D7-T9 PolarHBondContact OD2-OG1 2.75Å
8L72.4Confident71.1Confident179 Ų179117.6 Ų117.694%0.93768%0.676SS**SBendtrans-79.8-5.6177.1-67.6171.9000112.6
9T76.1Confident72.4Confident112 Ų112118.7 Ų118.769%0.68767%0.674SS**SBendtrans-84.5-29.7-174.766.20000113.1D7D7-T9 VanDerWaalsContact OD1-CB 3.28Å; D7-T9 WeakPolarHBondContact OD1-CB 3.31Å; D7-T9 WeakPolarHBondContact OD1-CG2 3.27Å; D7-T9 PolarHBondContact OD1-N 2.98Å; D7-T9 PolarHBondContact OD1-OG1 3.09Å; D7-T9 PolarHBondContact OD2-OG1 2.75Å
10D74.4Confident73.6Confident115 Ų115117.3 Ų117.362%0.61566%0.664SS**SBendtrans-105.1132.3179.8-76.1-30.1000111.9
11P76.6Confident74.7Confident95 Ų95114.6 Ų114.662%0.61765%0.645SS**  trans-66.4139172.827.7-32.2000110.2I13P11-I13 PolarHBondContact O-N 3.22Å
12L80.7Confident77.3Confident156 Ų156108.9 Ų108.982%0.81762%0.619SS**SBendtrans-65.9-9.7178.8-68171.4000114.1
13I82.8Confident80Confident123 Ų123105.2 Ų105.263%0.63160%0.601SS**SBendtrans-115.3125.2-173-59.1176.8000109.8P11 H15P11-I13 PolarHBondContact O-N 3.22Å; I13-H15 PolarHBondContact O-N 2.63Å
14N86.6Confident82.2Confident86 Ų86103 Ų10346%0.4658%0.583SS.*  trans-77.4106.6167.8-174.7-11.3000110.3A16 D17 G18N14-A16 VanDerWaalsContact C-N 3.32Å; N14-A16 PolarHBondContact O-N 3.42Å; N14-A16 PolarHBondContact OD1-N 3.21Å; N14-D17 HydrophobicContact CB-CB 4.21Å; N14-D17 PolarHBondContact ND2-OD1 3.14Å; N14-D17 PolarHBondContact ND2-OD2 3.2Å; N14-D17 PolarHBondContact O-N 3.38Å; N14-G18 PolarHBondContact O-N 3.38Å
15H89.8Confident84.5Confident131 Ų13197.9 Ų97.961%0.60655%0.552SS**Hα-helixtrans-61.9-35.3-179.9-77.6-81.6000113.8I13 G18 Q19I13-H15 PolarHBondContact O-N 2.63Å; H15-G18 PolarHBondContact O-N 2.82Å; H15-Q19 WeakPolarHBondContact O-CG 3.46Å; H15-Q19 PolarHBondContact O-N 3.24Å
16A92Very high86.5Confident58 Ų5895.5 Ų95.548%0.47953%0.529SS..Hα-helixtrans-68.1-43.7-177.800000111.3N14 G18 Q19 L20N14-A16 VanDerWaalsContact C-N 3.32Å; N14-A16 PolarHBondContact O-N 3.42Å; N14-A16 PolarHBondContact OD1-N 3.21Å; A16-G18 VanDerWaalsContact C-N 3.33Å; A16-G18 PolarHBondContact O-N 3.38Å; A16-Q19 PolarHBondContact O-N 3.04Å; A16-L20 WeakPolarHBondContact O-CB 3.24Å; A16-L20 PolarHBondContact O-N 2.89Å
17D91.8Very high88.4Confident84 Ų8496.2 Ų96.245%0.44951%0.513SS..Hα-helixtrans-62.3-42.7176.8-63.6-11.3000110.7N14 Q19 L20 F21N14-D17 HydrophobicContact CB-CB 4.21Å; N14-D17 PolarHBondContact ND2-OD1 3.14Å; N14-D17 PolarHBondContact ND2-OD2 3.2Å; N14-D17 PolarHBondContact O-N 3.38Å; D17-Q19 PolarHBondContact O-N 3.47Å; D17-L20 PolarHBondContact O-N 3.42Å; D17-F21 WeakPolarHBondContact O-CB 3.27Å; D17-F21 PolarHBondContact O-N 3.08Å
18G93.9Very high90.1Very high40 Ų4092.5 Ų92.541%0.41249%0.493SS..Hα-helixtrans-62-42.4176.400000113.5N14 H15 A16 F21 L22N14-G18 PolarHBondContact O-N 3.38Å; H15-G18 PolarHBondContact O-N 2.82Å; A16-G18 VanDerWaalsContact C-N 3.33Å; A16-G18 PolarHBondContact O-N 3.38Å; G18-F21 PolarHBondContact O-N 2.93Å; G18-L22 WeakPolarHBondContact O-CB 3.32Å; G18-L22 PolarHBondContact O-N 3.08Å
19Q95.3Very high91.3Very high138 Ų13886.6 Ų86.665%0.64546%0.462SS*.Hα-helixtrans-65.6-42.3176.3-74.5176.2-7.100112.1H15 A16 D17 L22 H23H15-Q19 WeakPolarHBondContact O-CG 3.46Å; H15-Q19 PolarHBondContact O-N 3.24Å; A16-Q19 PolarHBondContact O-N 3.04Å; D17-Q19 PolarHBondContact O-N 3.47Å; Q19-L22 PolarHBondContact O-N 2.61Å; Q19-H23 PolarHBondContact O-N 2.81Å
20L96.3Very high92.3Very high90 Ų9083.7 Ų83.747%0.47144%0.444SS..Hα-helixtrans-62-46.7176.2179.262.6000111.2A16 D17 L22 H23 E24A16-L20 WeakPolarHBondContact O-CB 3.24Å; A16-L20 PolarHBondContact O-N 2.89Å; D17-L20 PolarHBondContact O-N 3.42Å; L20-L22 VanDerWaalsContact C-N 3.35Å; L20-L22 PolarHBondContact O-N 3.33Å; L20-H23 PolarHBondContact O-N 3.41Å; L20-E24 HydrophobicContact CD1-CG 4.3Å; L20-E24 PolarHBondContact O-N 2.91Å
21F97.2Very high93.4Very high61 Ų6183.5 Ų83.527%0.26844%0.439SS..Hα-helixtrans-59.2-46.1176.9178.7-104.3000111.8D17 G18 H23 E24 A25 Q68 L71 L72 V75D17-F21 WeakPolarHBondContact O-CB 3.27Å; D17-F21 PolarHBondContact O-N 3.08Å; G18-F21 PolarHBondContact O-N 2.93Å; F21-H23 VanDerWaalsContact C-N 3.32Å; F21-H23 PolarHBondContact O-N 3.36Å; F21-E24 PolarHBondContact O-N 3.18Å; F21-A25 HydrophobicContact CE1-CB 4.49Å; F21-A25 VanDerWaalsContact O-CB 3.23Å; F21-A25 WeakPolarHBondContact O-CB 2.95Å; F21-A25 PolarHBondContact O-N 3.04Å; F21-Q68 HydrophobicContact CB-CG 4.35Å; F21-Q68 HydrophobicContact CD2-CG 3.64Å; F21-Q68 HydrophobicContact CE2-CG 4.46Å; F21-Q68 HydrophobicContact CG-CG 4.44Å; F21-L71 HydrophobicContact CE2-CB 3.64Å; F21-L71 HydrophobicContact CZ-CB 3.99Å; F21-L72 HydrophobicContact CD2-CD2 3.77Å; F21-L72 HydrophobicContact CD2-CG 3.97Å; F21-L72 HydrophobicContact CE2-CD2 3.61Å; F21-L72 HydrophobicContact CE2-CG 3.8Å; F21-L72 HydrophobicContact CZ-CD2 4.5Å; F21-V75 HydrophobicContact CZ-CG2 4.32Å
22L97.4Very high94.3Very high122 Ų12280.8 Ų80.864%0.63942%0.418SS*.Hα-helixtrans-58.8-43.6177.818062.4000111.8G18 Q19 L20 F26G18-L22 WeakPolarHBondContact O-CB 3.32Å; G18-L22 PolarHBondContact O-N 3.08Å; Q19-L22 PolarHBondContact O-N 2.61Å; L20-L22 VanDerWaalsContact C-N 3.35Å; L20-L22 PolarHBondContact O-N 3.33Å; L22-F26 VanDerWaalsContact O-CB 3.29Å; L22-F26 WeakPolarHBondContact O-CB 3.35Å; L22-F26 PolarHBondContact O-N 3.33Å
23H97.8Very high95Very high105 Ų10576 Ų7649%0.48640%0.396SS..Hα-helixtrans-61.9-48.8178.1177.2-102.9000112.3Q19 L20 F21 F26 K27Q19-H23 PolarHBondContact O-N 2.81Å; L20-H23 PolarHBondContact O-N 3.41Å; F21-H23 VanDerWaalsContact C-N 3.32Å; F21-H23 PolarHBondContact O-N 3.36Å; H23-F26 PolarHBondContact O-N 3.24Å; H23-K27 WeakPolarHBondContact CE1-CE 3.45Å; H23-K27 PolarHBondContact CE1-NZ 3.45Å; H23-K27 VanDerWaalsContact CE1-NZ 3.27Å; H23-K27 PolarHBondContact O-N 3.18Å; H23-K27 VanDerWaalsContact O-N 3.13Å
24E98.4Very high95.6Very high55 Ų5571.2 Ų71.226%0.25737%0.371SS..Hα-helixtrans-68.7-38.9179.7-65.1-50.8123.200112.2L20 F21 F26 K27 I28 L72L20-E24 HydrophobicContact CD1-CG 4.3Å; L20-E24 PolarHBondContact O-N 2.91Å; F21-E24 PolarHBondContact O-N 3.18Å; E24-F26 VanDerWaalsContact C-N 3.31Å; E24-F26 PolarHBondContact O-N 2.86Å; E24-K27 PolarHBondContact O-N 3.33Å; E24-K27 IonicContact OE1-NZ 3.65Å; E24-K27 PolarHBondContact OE1-NZ 2.7Å; E24-K27 IonicContact OE2-NZ 3.48Å; E24-K27 PolarHBondContact OE2-NZ 3.42Å; E24-I28 WeakPolarHBondContact O-CG1 3.29Å; E24-I28 PolarHBondContact O-N 3.04Å; E24-L72 HydrophobicContact CB-CD1 3.98Å; E24-L72 HydrophobicContact CB-CD2 3.88Å
25A98.3Very high96.1Very high9 Ų970.7 Ų70.77%0.07437%0.374CS..Hα-helixtrans-62.1-40.1173.300000111.5F21 K27 I28 I29 L72F21-A25 HydrophobicContact CE1-CB 4.49Å; F21-A25 VanDerWaalsContact O-CB 3.23Å; F21-A25 WeakPolarHBondContact O-CB 2.95Å; F21-A25 PolarHBondContact O-N 3.04Å; A25-K27 PolarHBondContact O-N 3.03Å; A25-I28 WeakPolarHBondContact O-CB 3.17Å; A25-I28 PolarHBondContact O-N 2.88Å; A25-I29 WeakPolarHBondContact O-CG1 3.1Å; A25-I29 PolarHBondContact O-N 2.72Å; A25-L72 HydrophobicContact CB-CD2 4.19Å
26F98.1Very high96.4Very high94 Ų9467.8 Ų67.841%0.41236%0.359SS..Hα-helixtrans-64.8-38.9178.3-168-103.3000112.4L22 H23 E24 I28 I29 V30 F107L22-F26 VanDerWaalsContact O-CB 3.29Å; L22-F26 WeakPolarHBondContact O-CB 3.35Å; L22-F26 PolarHBondContact O-N 3.33Å; H23-F26 PolarHBondContact O-N 3.24Å; E24-F26 VanDerWaalsContact C-N 3.31Å; E24-F26 PolarHBondContact O-N 2.86Å; F26-I28 VanDerWaalsContact C-N 3.35Å; F26-I28 PolarHBondContact O-N 2.64Å; F26-I29 PolarHBondContact O-N 2.67Å; F26-V30 HydrophobicContact CD1-CG2 4.03Å; F26-V30 HydrophobicContact CE1-CG2 3.71Å; F26-V30 HydrophobicContact CZ-CG2 4.09Å; F26-V30 WeakPolarHBondContact O-CG2 3.43Å; F26-V30 PolarHBondContact O-N 2.94Å; F26-F107 HydrophobicContact CE2-CD2 4.02Å; F26-F107 AromaticContact CE2-CE2 3.66Å; F26-F107 HydrophobicContact CE2-CE2 3.66Å; F26-F107 HydrophobicContact CE2-CZ 4.05Å; F26-F107 HydrophobicContact CZ-CD2 4.49Å; F26-F107 HydrophobicContact CZ-CE2 4.15Å
27K97.9Very high96.6Very high84 Ų8465 Ų6537%0.36534%0.336SS..Hα-helixtrans-57.6-47.6171.9-70.9174.5179.4164.10111.7H23 E24 A25 I29 V30 E31H23-K27 WeakPolarHBondContact CE1-CE 3.45Å; H23-K27 PolarHBondContact CE1-NZ 3.45Å; H23-K27 VanDerWaalsContact CE1-NZ 3.27Å; H23-K27 PolarHBondContact O-N 3.18Å; H23-K27 VanDerWaalsContact O-N 3.13Å; E24-K27 PolarHBondContact O-N 3.33Å; E24-K27 IonicContact OE1-NZ 3.65Å; E24-K27 PolarHBondContact OE1-NZ 2.7Å; E24-K27 IonicContact OE2-NZ 3.48Å; E24-K27 PolarHBondContact OE2-NZ 3.42Å; A25-K27 PolarHBondContact O-N 3.03Å; K27-I29 VanDerWaalsContact C-N 3.31Å; K27-I29 PolarHBondContact O-N 2.86Å; K27-V30 PolarHBondContact O-N 3.46Å; K27-E31 WeakPolarHBondContact O-CG 3.4Å; K27-E31 PolarHBondContact O-N 3.49Å
28I98.1Very high96.9Very high6 Ų662.7 Ų62.73%0.03133%0.325CS..Hα-helixtrans-59-44.5177.6-64.1163000110.5E24 A25 F26 V30 E31 E32 L72 V75 R76E24-I28 WeakPolarHBondContact O-CG1 3.29Å; E24-I28 PolarHBondContact O-N 3.04Å; A25-I28 WeakPolarHBondContact O-CB 3.17Å; A25-I28 PolarHBondContact O-N 2.88Å; F26-I28 VanDerWaalsContact C-N 3.35Å; F26-I28 PolarHBondContact O-N 2.64Å; I28-V30 PolarHBondContact O-N 3.07Å; I28-E31 PolarHBondContact O-N 3.31Å; I28-E32 HydrophobicContact CG2-CB 4.49Å; I28-E32 HydrophobicContact CG2-CG 3.97Å; I28-E32 VanDerWaalsContact O-CB 3.29Å; I28-E32 WeakPolarHBondContact O-CB 3.44Å; I28-E32 PolarHBondContact O-N 3.42Å; I28-L72 HydrophobicContact CD1-CB 4.14Å; I28-L72 HydrophobicContact CD1-CD2 3.83Å; I28-V75 HydrophobicContact CB-CG1 4.24Å; I28-V75 HydrophobicContact CD1-CG1 4.44Å; I28-V75 HydrophobicContact CG2-CG1 3.86Å; I28-R76 HydrophobicContact CD1-CG 3.98Å; I28-R76 HydrophobicContact CG1-CG 4.22Å; I28-R76 HydrophobicContact CG2-CB 4.49Å; I28-R76 HydrophobicContact CG2-CG 3.66Å
29I97.6Very high97Very high55 Ų5564 Ų6428%0.28232%0.322SS..Iπ-helixtrans-61.1-46.2178.3-68.6164.3000110.7A25 F26 K27 V33 L34 F107A25-I29 WeakPolarHBondContact O-CG1 3.1Å; A25-I29 PolarHBondContact O-N 2.72Å; F26-I29 PolarHBondContact O-N 2.67Å; K27-I29 VanDerWaalsContact C-N 3.31Å; K27-I29 PolarHBondContact O-N 2.86Å; I29-V33 HydrophobicContact CG2-CB 4.46Å; I29-V33 WeakPolarHBondContact O-CA 3.48Å; I29-V33 WeakPolarHBondContact O-CB 3.43Å; I29-V33 PolarHBondContact O-N 2.99Å; I29-L34 PolarHBondContact O-N 3.16Å; I29-F107 HydrophobicContact CG2-CZ 4.45Å
30V97.4Very high97.1Very high50 Ų5059.8 Ų59.830%0.30331%0.306SS..Iπ-helixtrans-60.3-49178.5170.90000110.7F26 K27 I28 L34 C35F26-V30 HydrophobicContact CD1-CG2 4.03Å; F26-V30 HydrophobicContact CE1-CG2 3.71Å; F26-V30 HydrophobicContact CZ-CG2 4.09Å; F26-V30 WeakPolarHBondContact O-CG2 3.43Å; F26-V30 PolarHBondContact O-N 2.94Å; K27-V30 PolarHBondContact O-N 3.46Å; I28-V30 PolarHBondContact O-N 3.07Å; V30-L34 HydrophobicContact CG2-CD1 4.31Å; V30-L34 WeakPolarHBondContact O-CB 3.31Å; V30-L34 PolarHBondContact O-N 3.19Å; V30-C35 PolarHBondContact O-N 3.46Å; V30-C35 PolarHBondContact O-SG 2.73Å
31E96.9Very high97.2Very high111 Ų11164.4 Ų64.452%0.51932%0.323SS..Iπ-helixtrans-69.3-55.4-177.1-69.3174.4-178.600112.5K27 I28 C35 K36K27-E31 WeakPolarHBondContact O-CG 3.4Å; K27-E31 PolarHBondContact O-N 3.49Å; I28-E31 PolarHBondContact O-N 3.31Å; E31-C35 WeakPolarHBondContact O-CB 3.45Å; E31-K36 WeakPolarHBondContact O-CG 3.41Å; E31-K36 PolarHBondContact O-N 3.02Å; E31-K36 VanDerWaalsContact O-N 3.08Å
32E95.8Very high97.2Very high38 Ų3865.2 Ų65.218%0.17833%0.327CS..Iπ-helixtrans-80.1-31.4-170.4-63.3-61151.800113.6I28 K36 A79 K84I28-E32 HydrophobicContact CG2-CB 4.49Å; I28-E32 HydrophobicContact CG2-CG 3.97Å; I28-E32 VanDerWaalsContact O-CB 3.29Å; I28-E32 WeakPolarHBondContact O-CB 3.44Å; I28-E32 PolarHBondContact O-N 3.42Å; E32-K36 IonicContact OE1-NZ 3.84Å; E32-K36 PolarHBondContact OE1-NZ 2.87Å; E32-K36 WeakPolarHBondContact OE2-CD 3.38Å; E32-K36 WeakPolarHBondContact OE2-CE 3.45Å; E32-K36 IonicContact OE2-NZ 2.8Å; E32-K36 PolarHBondContact OE2-NZ 3.04Å; E32-A79 HydrophobicContact CB-CB 3.83Å; E32-K84 PolarHBondContact O-NZ 2.68Å; E32-K84 VanDerWaalsContact O-NZ 3.15Å
33V96Very high97.3Very high57 Ų5764.4 Ų64.435%0.34532%0.319SS..Iπ-helixtrans-104.5-36.3-173.5-172.30000112.4I29 G37 A79I29-V33 HydrophobicContact CG2-CB 4.46Å; I29-V33 WeakPolarHBondContact O-CA 3.48Å; I29-V33 WeakPolarHBondContact O-CB 3.43Å; I29-V33 PolarHBondContact O-N 2.99Å; V33-G37 WeakPolarHBondContact O-CA 3.32Å; V33-G37 PolarHBondContact O-N 3.15Å; V33-A79 HydrophobicContact CG2-CB 3.76Å
34L95.3Very high97.3Very high22 Ų2259.4 Ų59.412%0.11530%0.295CS..Iπ-helixtrans-94.9-53-176.9-52.9-177.3000112I29 V30 T38 Y100 L103I29-L34 PolarHBondContact O-N 3.16Å; V30-L34 HydrophobicContact CG2-CD1 4.31Å; V30-L34 WeakPolarHBondContact O-CB 3.31Å; V30-L34 PolarHBondContact O-N 3.19Å; L34-T38 PolarHBondContact O-N 3.33Å; L34-T38 PolarHBondContact O-OG1 3.01Å; L34-Y100 HydrophobicContact CB-CE1 4.49Å; L34-L103 HydrophobicContact CD1-CD2 3.83Å; L34-L103 HydrophobicContact CD2-CD2 3.51Å; L34-L103 HydrophobicContact CG-CD2 4.34Å
35C96.4Very high97.3Very high75 Ų7557 Ų5751%0.50728%0.284SS..Iπ-helixtrans-68.2-61.9179.9-64.50000110.6V30 E31 G37 T38 D39V30-C35 PolarHBondContact O-N 3.46Å; V30-C35 PolarHBondContact O-SG 2.73Å; E31-C35 WeakPolarHBondContact O-CB 3.45Å; C35-G37 PolarHBondContact O-N 3.1Å; C35-T38 PolarHBondContact O-N 3.01Å; C35-T38 PolarHBondContact O-OG1 3.49Å; C35-D39 PolarHBondContact O-N 2.91Å
36K97Very high97.3Very high69 Ų6958.8 Ų58.830%0.329%0.291SS..Hα-helixtrans-67.1-26.4177.1-65.1-174.8-165.5170.50113.3E31 E32 T38 E42E31-K36 WeakPolarHBondContact O-CG 3.41Å; E31-K36 PolarHBondContact O-N 3.02Å; E31-K36 VanDerWaalsContact O-N 3.08Å; E32-K36 IonicContact OE1-NZ 3.84Å; E32-K36 PolarHBondContact OE1-NZ 2.87Å; E32-K36 WeakPolarHBondContact OE2-CD 3.38Å; E32-K36 WeakPolarHBondContact OE2-CE 3.45Å; E32-K36 IonicContact OE2-NZ 2.8Å; E32-K36 PolarHBondContact OE2-NZ 3.04Å; K36-T38 PolarHBondContact O-N 3.47Å; K36-E42 HydrophobicContact CB-CG 3.96Å; K36-E42 HydrophobicContact CG-CG 4.24Å; K36-E42 WeakPolarHBondContact O-CB 3.43Å
37G96.3Very high97.3Very high0 Ų059.6 Ų59.60%029%0.292CS..Hα-helixtrans-56.2-34174.900000114.7V33 C35 S86 H87V33-G37 WeakPolarHBondContact O-CA 3.32Å; V33-G37 PolarHBondContact O-N 3.15Å; C35-G37 PolarHBondContact O-N 3.1Å; G37-S86 CarbonylContact O-C 3.59Å; G37-S86 PolarHBondContact O-OG 3.15Å; G37-H87 WeakPolarHBondContact O-CA 3.29Å; G37-H87 VanDerWaalsContact O-CB 3.3Å; G37-H87 WeakPolarHBondContact O-CB 3.45Å; G37-H87 PolarHBondContact O-N 2.92Å; G37-H87 VanDerWaalsContact O-N 3.11Å
38T96.7Very high97.3Very high35 Ų3559.3 Ų59.322%0.21529%0.288CS..Hα-helixtrans-112.6-7.9-170.6570000113.4L34 C35 K36 V40 V98 L474L34-T38 PolarHBondContact O-N 3.33Å; L34-T38 PolarHBondContact O-OG1 3.01Å; C35-T38 PolarHBondContact O-N 3.01Å; C35-T38 PolarHBondContact O-OG1 3.49Å; K36-T38 PolarHBondContact O-N 3.47Å; T38-V40 PolarHBondContact O-N 3.4Å; T38-V98 HydrophobicContact CG2-CG1 3.75Å; T38-L474 HydrophobicContact CG2-CD1 3.72Å
39D97.6Very high97.3Very high67 Ų6763.6 Ų63.636%0.35831%0.308SS..  trans-75.6120.2174.1-171.1-12.4000111.1C35 K41 E42 H87C35-D39 PolarHBondContact O-N 2.91Å; D39-K41 PolarHBondContact O-N 3.5Å; D39-K41 VanDerWaalsContact O-N 3.17Å; D39-K41 WeakPolarHBondContact OD1-CB 3.33Å; D39-K41 PolarHBondContact OD1-N 2.98Å; D39-E42 HydrophobicContact CB-CG 4.11Å; D39-E42 WeakPolarHBondContact O-CB 3.39Å; D39-E42 PolarHBondContact O-N 3.32Å; D39-E42 VanDerWaalsContact O-N 3.11Å; D39-H87 PolarHBondContact O-NE2 3.13Å
40V97.4Very high97.4Very high50 Ų5065.4 Ų65.430%0.30332%0.323SS..THydrogen-bonded Turntrans-69.2-8.1179.9-61.50000114.7T38 P88 R89T38-V40 PolarHBondContact O-N 3.4Å; V40-P88 HydrophobicContact CG1-CB 4.08Å; V40-P88 HydrophobicContact CG1-CG 3.88Å; V40-R89 PolarHBondContact O-NH1 3.38Å; V40-R89 VanDerWaalsContact O-NH1 3.11Å
41K97.1Very high97.4Very high188 Ų18869.9 Ų69.982%0.81734%0.341SS*.THydrogen-bonded Turntrans-83.8-19.1172.8-62.9175.9-177.8174.80112.6D39D39-K41 PolarHBondContact O-N 3.5Å; D39-K41 VanDerWaalsContact O-N 3.17Å; D39-K41 WeakPolarHBondContact OD1-CB 3.33Å; D39-K41 PolarHBondContact OD1-N 2.98Å
42E98.3Very high97.4Very high78 Ų7867.7 Ų67.736%0.36433%0.331SS..SBendtrans-81.1167176.9-69.6-70.4170.200111.1K36 D39 H87K36-E42 HydrophobicContact CB-CG 3.96Å; K36-E42 HydrophobicContact CG-CG 4.24Å; K36-E42 WeakPolarHBondContact O-CB 3.43Å; D39-E42 HydrophobicContact CB-CG 4.11Å; D39-E42 WeakPolarHBondContact O-CB 3.39Å; D39-E42 PolarHBondContact O-N 3.32Å; D39-E42 VanDerWaalsContact O-N 3.11Å; E42-H87 PolarHBondContact O-NE2 2.91Å
43K98.4Very high97.6Very high105 Ų10568.2 Ų68.246%0.45733%0.334SS..  trans-80.3138.7174.4-68.6-177.7176.7-179.80110.8C45 K84 G450K43-C45 PolarHBondContact O-N 3.35Å; K43-K84 WeakPolarHBondContact O-CD 3.49Å; K43-K84 WeakPolarHBondContact O-CE 3.38Å; K43-G450 CarbonylContact C-O 3.59Å; K43-G450 WeakPolarHBondContact CA-O 3.42Å
44V98.5Very high97.6Very high0 Ų067.7 Ų67.70%034%0.336CS..SBendtrans-62.7-34.1168.6-177.60000111.2K84 H87 R89 F90 G450 M453V44-K84 PolarHBondContact O-N 3.31Å; V44-H87 HydrophobicContact CG2-CB 4.25Å; V44-R89 HydrophobicContact CG2-CB 3.99Å; V44-F90 HydrophobicContact CG1-CB 4.17Å; V44-F90 HydrophobicContact CG1-CD2 4.14Å; V44-G450 PolarHBondContact N-O 2.73Å; V44-M453 HydrophobicContact CG1-CB 4.4Å; V44-M453 HydrophobicContact CG1-CG 3.81Å; V44-M453 HydrophobicContact CG1-SD 3.87Å
45C98.4Very high97.7Very high4 Ų475.1 Ų75.13%0.02736%0.363CS..  trans-151.8148.9175.8610000112.4K43 I83 M447 G450 M453K43-C45 PolarHBondContact O-N 3.35Å; C45-I83 HydrophobicContact CB-CD1 3.37Å; C45-M447 PolarHBondContact SG-O 3.38Å; C45-M447 VanDerWaalsContact SG-O 3.38Å; C45-G450 WeakPolarHBondContact O-CA 3.41Å; C45-M453 HydrophobicContact CB-SD 4.4Å
46E98.2Very high97.8Very high46 Ų4674.9 Ų74.922%0.21536%0.356CS..  trans-105.283.9166.8-170.1173.1155.800109.1R48 K80 Y81E46-R48 PolarHBondContact O-N 2.96Å; E46-R48 IonicContact OE1-CZ 3.57Å; E46-R48 IonicContact OE1-NE 3.57Å; E46-R48 IonicContact OE1-NH2 2.67Å; E46-R48 PolarHBondContact OE1-NH2 2.76Å; E46-K80 VanDerWaalsContact CD-CE 3.42Å; E46-K80 WeakPolarHBondContact OE1-CE 3.18Å; E46-K80 IonicContact OE1-NZ 2.76Å; E46-K80 WeakPolarHBondContact OE2-CE 3.42Å; E46-K80 IonicContact OE2-NZ 2.73Å; E46-Y81 HydrophobicContact CB-CD1 4.38Å; E46-Y81 HydrophobicContact CG-CD1 4.33Å; E46-Y81 HydrophobicContact CG-CE1 4.31Å
47W98.3Very high97.9Very high112 Ų11273.2 Ų73.242%0.42435%0.35SS..  trans-60.1135.4-176.1178.3-98.3000112.2E49 M447W47-E49 PolarHBondContact NE1-OE1 2.89Å; W47-M447 WeakPolarHBondContact CB-O 3.28Å; W47-M447 HydrophobicContact CE3-CE 3.57Å; W47-M447 HydrophobicContact CZ3-CE 3.96Å
48R98.3Very high97.9Very high78 Ų7875.9 Ų75.929%0.29436%0.364SS..  trans-138.8142.1173.7-62.1-63.9172.7176.1-2.8108.4E46 E52 L53 L56 Y81E46-R48 PolarHBondContact O-N 2.96Å; E46-R48 IonicContact OE1-CZ 3.57Å; E46-R48 IonicContact OE1-NE 3.57Å; E46-R48 IonicContact OE1-NH2 2.67Å; E46-R48 PolarHBondContact OE1-NH2 2.76Å; R48-E52 WeakPolarHBondContact CD-OE1 3.35Å; R48-E52 IonicContact CZ-OE1 2.68Å; R48-E52 IonicContact NE-OE1 2.7Å; R48-E52 IonicContact NH1-OE1 3.6Å; R48-E52 PolarHBondContact NH1-OE1 3.01Å; R48-L53 HydrophobicContact CB-CB 3.93Å; R48-L53 HydrophobicContact CB-CD1 4.35Å; R48-L53 HydrophobicContact CG-CD1 4.47Å; R48-L56 HydrophobicContact CG-CD1 4.11Å; R48-Y81 HydrophobicContact CG-CD1 4.04Å; R48-Y81 HydrophobicContact CG-CE1 4.16Å
49E98.3Very high97.9Very high95 Ų9579.9 Ų79.944%0.44438%0.384SS..  trans-66.2148.8172.8-64-55.4143.300110W47 E51 E52 L53W47-E49 PolarHBondContact NE1-OE1 2.89Å; E49-E51 VanDerWaalsContact C-N 3.29Å; E49-E51 PolarHBondContact O-N 3.47Å; E49-E51 VanDerWaalsContact O-N 3.15Å; E49-E52 WeakPolarHBondContact O-CB 3.2Å; E49-E52 PolarHBondContact O-N 3.46Å; E49-L53 PolarHBondContact O-N 3.46Å
50P98.2Very high97.9Very high93 Ų9382.9 Ų82.960%0.60440%0.396SS*.Hα-helixtrans-53.6-41.3-171.7-29.635.8000114.6L53 A54P50-L53 PolarHBondContact O-N 3.26Å; P50-A54 WeakPolarHBondContact O-CB 3.43Å; P50-A54 PolarHBondContact O-N 3.46Å
51E97.6Very high97.9Very high145 Ų14588.6 Ų88.668%0.67842%0.424SS*.Hα-helixtrans-68.6-36.5178.2-64.7-177.5-176.800112.9E49 R55E49-E51 VanDerWaalsContact C-N 3.29Å; E49-E51 PolarHBondContact O-N 3.47Å; E49-E51 VanDerWaalsContact O-N 3.15Å; E51-R55 WeakPolarHBondContact O-CG 3.26Å; E51-R55 PolarHBondContact O-N 2.7Å
52E98.1Very high97.9Very high65 Ų6586 Ų8630%0.30441%0.409SS..Hα-helixtrans-66.9-46.8174.6-172.8-170174.600110.2R48 E49 A54 R55 L56R48-E52 WeakPolarHBondContact CD-OE1 3.35Å; R48-E52 IonicContact CZ-OE1 2.68Å; R48-E52 IonicContact NE-OE1 2.7Å; R48-E52 IonicContact NH1-OE1 3.6Å; R48-E52 PolarHBondContact NH1-OE1 3.01Å; E49-E52 WeakPolarHBondContact O-CB 3.2Å; E49-E52 PolarHBondContact O-N 3.46Å; E52-A54 PolarHBondContact O-N 3.3Å; E52-R55 PolarHBondContact O-N 2.82Å; E52-L56 HydrophobicContact CG-CD1 4.12Å; E52-L56 WeakPolarHBondContact O-CG 3.39Å; E52-L56 PolarHBondContact O-N 3.03Å
53L98.4Very high97.9Very high48 Ų4891.6 Ų91.625%0.25144%0.435SS..Hα-helixtrans-63.5-42.1179.9-173.258.4000112.1R48 E49 P50 R55 L56 L57 Y81R48-L53 HydrophobicContact CB-CB 3.93Å; R48-L53 HydrophobicContact CB-CD1 4.35Å; R48-L53 HydrophobicContact CG-CD1 4.47Å; E49-L53 PolarHBondContact O-N 3.46Å; P50-L53 PolarHBondContact O-N 3.26Å; L53-R55 VanDerWaalsContact C-N 3.29Å; L53-R55 PolarHBondContact O-N 2.86Å; L53-L56 PolarHBondContact O-N 3.09Å; L53-L57 HydrophobicContact CD1-CD1 3.89Å; L53-L57 HydrophobicContact CD1-CG 3.98Å; L53-L57 HydrophobicContact CD2-CD1 4.44Å; L53-L57 HydrophobicContact CG-CD1 3.8Å; L53-L57 HydrophobicContact CG-CG 4.28Å; L53-L57 WeakPolarHBondContact O-CB 3.37Å; L53-L57 VanDerWaalsContact O-CG 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.26Å; L53-L57 PolarHBondContact O-N 2.9Å; L53-Y81 HydrophobicContact CD1-CD1 4.26Å; L53-Y81 HydrophobicContact CD1-CD2 4Å; L53-Y81 HydrophobicContact CD1-CG 3.71Å
54A97.9Very high97.8Very high47 Ų4794.9 Ų94.939%0.38845%0.45SS..Hα-helixtrans-59.8-39.9176.800000112P50 E52 D58P50-A54 WeakPolarHBondContact O-CB 3.43Å; P50-A54 PolarHBondContact O-N 3.46Å; E52-A54 PolarHBondContact O-N 3.3Å; A54-D58 PolarHBondContact O-N 3Å
55R97.3Very high97.6Very high178 Ų17898.6 Ų98.667%0.67249%0.488SS*.Hα-helixtrans-67.1-41.8174.1-73.5-172.8-68-110.1-0.6112.3E51 E52 L53 L57E51-R55 WeakPolarHBondContact O-CG 3.26Å; E51-R55 PolarHBondContact O-N 2.7Å; E52-R55 PolarHBondContact O-N 2.82Å; L53-R55 VanDerWaalsContact C-N 3.29Å; L53-R55 PolarHBondContact O-N 2.86Å; R55-L57 VanDerWaalsContact C-N 3.26Å; R55-L57 PolarHBondContact O-N 2.67Å
56L97.8Very high97.5Very high69 Ų69101.1 Ų101.136%0.36150%0.499SS..Hα-helixtrans-64.3-31.2178.4-72.4169.1000112.8R48 E52 L53 Y81R48-L56 HydrophobicContact CG-CD1 4.11Å; E52-L56 HydrophobicContact CG-CD1 4.12Å; E52-L56 WeakPolarHBondContact O-CG 3.39Å; E52-L56 PolarHBondContact O-N 3.03Å; L53-L56 PolarHBondContact O-N 3.09Å; L56-Y81 HydrophobicContact CB-CE2 4.36Å; L56-Y81 HydrophobicContact CD1-CE1 4.21Å; L56-Y81 HydrophobicContact CD1-CE2 4.41Å
57L97.9Very high97.4Very high34 Ų34102.4 Ų102.418%0.17851%0.512CS..Hα-helixtrans-92.1-12.9-174.7-68.3177.7000114.6L53 R55 L59 R74 D77 Y81L53-L57 HydrophobicContact CD1-CD1 3.89Å; L53-L57 HydrophobicContact CD1-CG 3.98Å; L53-L57 HydrophobicContact CD2-CD1 4.44Å; L53-L57 HydrophobicContact CG-CD1 3.8Å; L53-L57 HydrophobicContact CG-CG 4.28Å; L53-L57 WeakPolarHBondContact O-CB 3.37Å; L53-L57 VanDerWaalsContact O-CG 3.31Å; L53-L57 WeakPolarHBondContact O-CG 3.26Å; L53-L57 PolarHBondContact O-N 2.9Å; R55-L57 VanDerWaalsContact C-N 3.26Å; R55-L57 PolarHBondContact O-N 2.67Å; L57-L59 HydrophobicContact CB-CD2 3.7Å; L57-L59 HydrophobicContact CB-CG 3.8Å; L57-L59 HydrophobicContact CD1-CD2 4.11Å; L57-L59 PolarHBondContact O-N 3.38Å; L57-R74 PolarHBondContact O-NH1 2.87Å; L57-D77 HydrophobicContact CD2-CB 4.07Å; L57-Y81 HydrophobicContact CD2-CD2 4.17Å
58D97Very high97.2Very high56 Ų5699.5 Ų99.530%0.29950%0.503SS..THydrogen-bonded Turntrans42.862.3-175.1-176.741.1000111.9A54 E60 R62 R74A54-D58 PolarHBondContact O-N 3Å; D58-E60 PolarHBondContact O-N 2.85Å; D58-R62 IonicContact OD1-CZ 3.21Å; D58-R62 IonicContact OD1-NH1 2.76Å; D58-R62 IonicContact OD1-NH2 3.53Å; D58-R62 PolarHBondContact OD1-NH2 2.95Å; D58-R62 IonicContact OD2-CZ 3.27Å; D58-R62 IonicContact OD2-NH1 2.74Å; D58-R62 PolarHBondContact OD2-NH1 3.09Å; D58-R62 IonicContact OD2-NH2 2.87Å; D58-R62 PolarHBondContact OD2-NH2 3.05Å; D58-R74 PolarHBondContact O-NH1 2.72Å; D58-R74 IonicContact OD2-CZ 2.83Å; D58-R74 IonicContact OD2-NH2 2.98Å; D58-R74 PolarHBondContact OD2-NH2 2.69Å
59L97.1Very high97.1Very high119 Ų119102.2 Ų102.262%0.62352%0.518SS*.  trans-74.1-4-168.4-66.2173.7000115L57 L61L57-L59 HydrophobicContact CB-CD2 3.7Å; L57-L59 HydrophobicContact CB-CG 3.8Å; L57-L59 HydrophobicContact CD1-CD2 4.11Å; L57-L59 PolarHBondContact O-N 3.38Å; L59-L61 PolarHBondContact O-N 3.02Å
60E97.3Very high97.1Very high130 Ų130101.5 Ų101.561%0.60752%0.518SS*.  trans-68129.7-176.1-172.7-177.3-151.500111.3D58 R62D58-E60 PolarHBondContact O-N 2.85Å; E60-R62 HydrophobicContact CG-CG 4.45Å; E60-R62 IonicContact OE2-CZ 2.76Å; E60-R62 IonicContact OE2-NE 3.18Å; E60-R62 PolarHBondContact OE2-NE 3.28Å; E60-R62 IonicContact OE2-NH2 3.95Å; E60-R62 PolarHBondContact OE2-NH2 2.85Å
61L97.9Very high97.1Very high171 Ų171100.2 Ų100.290%0.89551%0.506SS*.  trans-88.2125.8174.1-59179000109.5L59L59-L61 PolarHBondContact O-N 3.02Å
62R96.8Very high97.1Very high133 Ų13394.1 Ų94.150%0.50248%0.478SS..  trans-114.1164.2-174.2-60.6179.8179.8125.110.1111.3D58 E60 K64D58-R62 IonicContact OD1-CZ 3.21Å; D58-R62 IonicContact OD1-NH1 2.76Å; D58-R62 IonicContact OD1-NH2 3.53Å; D58-R62 PolarHBondContact OD1-NH2 2.95Å; D58-R62 IonicContact OD2-CZ 3.27Å; D58-R62 IonicContact OD2-NH1 2.74Å; D58-R62 PolarHBondContact OD2-NH1 3.09Å; D58-R62 IonicContact OD2-NH2 2.87Å; D58-R62 PolarHBondContact OD2-NH2 3.05Å; E60-R62 HydrophobicContact CG-CG 4.45Å; E60-R62 IonicContact OE2-CZ 2.76Å; E60-R62 IonicContact OE2-NE 3.18Å; E60-R62 PolarHBondContact OE2-NE 3.28Å; E60-R62 IonicContact OE2-NH2 3.95Å; E60-R62 PolarHBondContact OE2-NH2 2.85Å; R62-K64 VanDerWaalsContact C-N 3.31Å; R62-K64 PolarHBondContact O-N 3.05Å
63E97.8Very high97.1Very high196 Ų19695.1 Ų95.192%0.91648%0.482SS*.SBendtrans-62.3-37.3178.1-174.5-173.6173.900112.5
64K96.7Very high97.1Very high174 Ų17496 Ų9676%0.75748%0.482SS*.SBendtrans-98.5142.6-179.4-64.2-177.3-179.4-179.90110.9R62R62-K64 VanDerWaalsContact C-N 3.31Å; R62-K64 PolarHBondContact O-N 3.05Å
65G94.9Very high97.1Very high78 Ų7895.5 Ų95.580%0.80447%0.474SS*.  trans-69.3175.5169.400000112.6
66E96.3Very high97.2Very high57 Ų5791.4 Ų91.427%0.26646%0.459SS..  trans-114.7156.1-178.2-61-167.8145.800112.5N70 L71 R74E66-N70 HydrophobicContact CB-CB 4.17Å; E66-L71 HydrophobicContact CB-CD2 4.14Å; E66-L71 HydrophobicContact CB-CG 4.32Å; E66-R74 VanDerWaalsContact CD-NH2 3.34Å; E66-R74 IonicContact OE1-CZ 3.3Å; E66-R74 IonicContact OE1-NE 3.76Å; E66-R74 IonicContact OE1-NH2 2.75Å; E66-R74 PolarHBondContact OE1-NH2 3.06Å; E66-R74 IonicContact OE2-CZ 2.66Å; E66-R74 IonicContact OE2-NE 3.76Å; E66-R74 PolarHBondContact OE2-NE 2.98Å; E66-R74 IonicContact OE2-NH2 3.63Å; E66-R74 PolarHBondContact OE2-NH2 3.44Å
67P95.3Very high97.2Very high73 Ų7389.5 Ų89.547%0.47445%0.449SS..  trans-57.5151.1168.7-22.233.4000112.3E69 N70 L71P67-E69 PolarHBondContact O-N 2.83Å; P67-N70 WeakPolarHBondContact O-CB 3.47Å; P67-N70 PolarHBondContact O-N 3.05Å; P67-L71 PolarHBondContact O-N 3.16Å
68Q94.6Very high97.2Very high51 Ų5191.9 Ų91.924%0.23847%0.465CS..Hα-helixtrans-57.6-35.8-176.9-171.1177-33.300112.8F21 N70 L71 L72F21-Q68 HydrophobicContact CB-CG 4.35Å; F21-Q68 HydrophobicContact CD2-CG 3.64Å; F21-Q68 HydrophobicContact CE2-CG 4.46Å; F21-Q68 HydrophobicContact CG-CG 4.44Å; Q68-N70 VanDerWaalsContact C-N 3.32Å; Q68-N70 PolarHBondContact O-N 2.91Å; Q68-L71 PolarHBondContact O-N 3.27Å; Q68-L72 HydrophobicContact CG-CD1 4.38Å; Q68-L72 WeakPolarHBondContact O-CG 3.26Å; Q68-L72 PolarHBondContact O-N 3.37Å
69E96.4Very high97.3Very high134 Ų13489.9 Ų89.963%0.62646%0.456SS*.Hα-helixtrans-61.6-41.4178.5-6374.2-162.700111.6P67 L72 Q73P67-E69 PolarHBondContact O-N 2.83Å; E69-L72 PolarHBondContact O-N 2.66Å; E69-Q73 PolarHBondContact O-N 3.12Å
70N97.7Very high97.3Very high80 Ų8088 Ų8843%0.42844%0.443SS..Hα-helixtrans-68.1-41.5177.2-68.83.8000110.6E66 P67 Q68 L72 Q73 R74E66-N70 HydrophobicContact CB-CB 4.17Å; P67-N70 WeakPolarHBondContact O-CB 3.47Å; P67-N70 PolarHBondContact O-N 3.05Å; Q68-N70 VanDerWaalsContact C-N 3.32Å; Q68-N70 PolarHBondContact O-N 2.91Å; N70-L72 PolarHBondContact O-N 3.23Å; N70-Q73 WeakPolarHBondContact O-CB 3.49Å; N70-Q73 PolarHBondContact O-N 3.36Å; N70-Q73 VanDerWaalsContact O-N 3.15Å; N70-R74 WeakPolarHBondContact O-CG 3.31Å; N70-R74 PolarHBondContact O-N 2.81Å
71L97.9Very high97.3Very high67 Ų6783.3 Ų83.335%0.35142%0.42SS..Hα-helixtrans-62.1-42.5175.6-62.9177.9000111.8F21 E66 P67 Q68 Q73 R74 V75F21-L71 HydrophobicContact CE2-CB 3.64Å; F21-L71 HydrophobicContact CZ-CB 3.99Å; E66-L71 HydrophobicContact CB-CD2 4.14Å; E66-L71 HydrophobicContact CB-CG 4.32Å; P67-L71 PolarHBondContact O-N 3.16Å; Q68-L71 PolarHBondContact O-N 3.27Å; L71-Q73 VanDerWaalsContact C-N 3.3Å; L71-Q73 PolarHBondContact O-N 2.85Å; L71-R74 WeakPolarHBondContact O-CB 3.49Å; L71-R74 PolarHBondContact O-N 3.36Å; L71-V75 WeakPolarHBondContact O-CG2 3.36Å; L71-V75 PolarHBondContact O-N 2.97Å
72L98.4Very high97.3Very high17 Ų1777.9 Ų77.99%0.08940%0.396CS..Hα-helixtrans-65.1-35.2174.5-70.2172.2000111.7F21 E24 A25 I28 Q68 E69 N70 V75 R76F21-L72 HydrophobicContact CD2-CD2 3.77Å; F21-L72 HydrophobicContact CD2-CG 3.97Å; F21-L72 HydrophobicContact CE2-CD2 3.61Å; F21-L72 HydrophobicContact CE2-CG 3.8Å; F21-L72 HydrophobicContact CZ-CD2 4.5Å; E24-L72 HydrophobicContact CB-CD1 3.98Å; E24-L72 HydrophobicContact CB-CD2 3.88Å; A25-L72 HydrophobicContact CB-CD2 4.19Å; I28-L72 HydrophobicContact CD1-CB 4.14Å; I28-L72 HydrophobicContact CD1-CD2 3.83Å; Q68-L72 HydrophobicContact CG-CD1 4.38Å; Q68-L72 WeakPolarHBondContact O-CG 3.26Å; Q68-L72 PolarHBondContact O-N 3.37Å; E69-L72 PolarHBondContact O-N 2.66Å; N70-L72 PolarHBondContact O-N 3.23Å; L72-V75 PolarHBondContact O-N 2.8Å; L72-R76 PolarHBondContact O-N 3.38Å; L72-R76 VanDerWaalsContact O-N 3.1Å; L72-R76 PolarHBondContact O-NH1 3.33Å
73Q98.3Very high97.4Very high85 Ų8574.8 Ų74.840%0.39739%0.389SS..Hα-helixtrans-63-43.4172.2-173.653.745.200111.3E69 N70 L71 V75 R76 D77E69-Q73 PolarHBondContact O-N 3.12Å; N70-Q73 WeakPolarHBondContact O-CB 3.49Å; N70-Q73 PolarHBondContact O-N 3.36Å; N70-Q73 VanDerWaalsContact O-N 3.15Å; L71-Q73 VanDerWaalsContact C-N 3.3Å; L71-Q73 PolarHBondContact O-N 2.85Å; Q73-V75 VanDerWaalsContact C-N 3.3Å; Q73-V75 PolarHBondContact O-N 2.59Å; Q73-R76 WeakPolarHBondContact O-CA 3.16Å; Q73-R76 WeakPolarHBondContact O-CB 3.25Å; Q73-R76 PolarHBondContact O-N 3.36Å; Q73-D77 VanDerWaalsContact NE2-CG 3.34Å; Q73-D77 PolarHBondContact NE2-OD1 2.9Å; Q73-D77 PolarHBondContact NE2-OD2 2.98Å; Q73-D77 VanDerWaalsContact NE2-OD2 3.16Å; Q73-D77 PolarHBondContact O-N 3.15Å
74R98.3Very high97.4Very high66 Ų6666.5 Ų66.525%0.24935%0.35CS..Hα-helixtrans-58.1-40.5172.8-67.5-179.7-176.9-77.61.1112.4L57 D58 E66 N70 L71 R76 D77 V78L57-R74 PolarHBondContact O-NH1 2.87Å; D58-R74 PolarHBondContact O-NH1 2.72Å; D58-R74 IonicContact OD2-CZ 2.83Å; D58-R74 IonicContact OD2-NH2 2.98Å; D58-R74 PolarHBondContact OD2-NH2 2.69Å; E66-R74 VanDerWaalsContact CD-NH2 3.34Å; E66-R74 IonicContact OE1-CZ 3.3Å; E66-R74 IonicContact OE1-NE 3.76Å; E66-R74 IonicContact OE1-NH2 2.75Å; E66-R74 PolarHBondContact OE1-NH2 3.06Å; E66-R74 IonicContact OE2-CZ 2.66Å; E66-R74 IonicContact OE2-NE 3.76Å; E66-R74 PolarHBondContact OE2-NE 2.98Å; E66-R74 IonicContact OE2-NH2 3.63Å; E66-R74 PolarHBondContact OE2-NH2 3.44Å; N70-R74 WeakPolarHBondContact O-CG 3.31Å; N70-R74 PolarHBondContact O-N 2.81Å; L71-R74 WeakPolarHBondContact O-CB 3.49Å; L71-R74 PolarHBondContact O-N 3.36Å; R74-R76 VanDerWaalsContact C-N 3.33Å; R74-R76 PolarHBondContact O-N 3.49Å; R74-D77 PolarHBondContact O-N 2.92Å; R74-V78 WeakPolarHBondContact O-CB 3.3Å; R74-V78 VanDerWaalsContact O-CG2 3.29Å; R74-V78 WeakPolarHBondContact O-CG2 3.42Å; R74-V78 PolarHBondContact O-N 2.75Å
75V98.4Very high97.5Very high37 Ų3760.9 Ų60.922%0.22433%0.33CS..Hα-helixtrans-59.8-43.5174.5176.70000111F21 I28 L71 L72 Q73 A79F21-V75 HydrophobicContact CZ-CG2 4.32Å; I28-V75 HydrophobicContact CB-CG1 4.24Å; I28-V75 HydrophobicContact CD1-CG1 4.44Å; I28-V75 HydrophobicContact CG2-CG1 3.86Å; L71-V75 WeakPolarHBondContact O-CG2 3.36Å; L71-V75 PolarHBondContact O-N 2.97Å; L72-V75 PolarHBondContact O-N 2.8Å; Q73-V75 VanDerWaalsContact C-N 3.3Å; Q73-V75 PolarHBondContact O-N 2.59Å; V75-A79 WeakPolarHBondContact O-CB 3.3Å; V75-A79 PolarHBondContact O-N 3.25Å
76R98.4Very high97.6Very high92 Ų9257.6 Ų57.635%0.34730%0.295SS..Hα-helixtrans-64.1-45.1176.2-67.3-178-170.589.21.8112I28 L72 Q73 R74 A79 K80I28-R76 HydrophobicContact CD1-CG 3.98Å; I28-R76 HydrophobicContact CG1-CG 4.22Å; I28-R76 HydrophobicContact CG2-CB 4.49Å; I28-R76 HydrophobicContact CG2-CG 3.66Å; L72-R76 PolarHBondContact O-N 3.38Å; L72-R76 VanDerWaalsContact O-N 3.1Å; L72-R76 PolarHBondContact O-NH1 3.33Å; Q73-R76 WeakPolarHBondContact O-CA 3.16Å; Q73-R76 WeakPolarHBondContact O-CB 3.25Å; Q73-R76 PolarHBondContact O-N 3.36Å; R74-R76 VanDerWaalsContact C-N 3.33Å; R74-R76 PolarHBondContact O-N 3.49Å; R76-A79 PolarHBondContact O-N 3.48Å; R76-K80 VanDerWaalsContact O-CB 3.26Å; R76-K80 WeakPolarHBondContact O-CB 3.16Å; R76-K80 PolarHBondContact O-N 3.29Å
77D98.3Very high97.8Very high29 Ų2954.9 Ų54.916%0.15528%0.282CS..Hα-helixtrans-66.1-41.8-177.7-66.9-34.6000111.4L57 Q73 R74 A79 K80 Y81L57-D77 HydrophobicContact CD2-CB 4.07Å; Q73-D77 VanDerWaalsContact NE2-CG 3.34Å; Q73-D77 PolarHBondContact NE2-OD1 2.9Å; Q73-D77 PolarHBondContact NE2-OD2 2.98Å; Q73-D77 VanDerWaalsContact NE2-OD2 3.16Å; Q73-D77 PolarHBondContact O-N 3.15Å; R74-D77 PolarHBondContact O-N 2.92Å; D77-A79 PolarHBondContact O-N 3.45Å; D77-K80 PolarHBondContact O-N 3.38Å; D77-Y81 HydrophobicContact CB-CD2 4.3Å; D77-Y81 HydrophobicContact CB-CE2 4.26Å; D77-Y81 WeakPolarHBondContact O-CD2 3.41Å; D77-Y81 PolarHBondContact O-N 3.48Å
78V98.5Very high97.9Very high84 Ų8451.7 Ų51.751%0.50926%0.261SS..Hα-helixtrans-59.4-46.4172.3171.30000110.8R74 K80 S82R74-V78 WeakPolarHBondContact O-CB 3.3Å; R74-V78 VanDerWaalsContact O-CG2 3.29Å; R74-V78 WeakPolarHBondContact O-CG2 3.42Å; R74-V78 PolarHBondContact O-N 2.75Å; V78-K80 PolarHBondContact O-N 2.88Å; V78-S82 WeakPolarHBondContact O-CB 3.4Å; V78-S82 PolarHBondContact O-N 2.96Å; V78-S82 VanDerWaalsContact O-N 3.09Å; V78-S82 PolarHBondContact O-OG 3.04Å
79A97.4Very high98.1Very high14 Ų1451.2 Ų51.212%0.11626%0.257CS..Hα-helixtrans-65-37.717900000113E32 V33 V75 R76 D77E32-A79 HydrophobicContact CB-CB 3.83Å; V33-A79 HydrophobicContact CG2-CB 3.76Å; V75-A79 WeakPolarHBondContact O-CB 3.3Å; V75-A79 PolarHBondContact O-N 3.25Å; R76-A79 PolarHBondContact O-N 3.48Å; D77-A79 PolarHBondContact O-N 3.45Å
80K96.9Very high98.2Very high80 Ų8045.1 Ų45.135%0.34823%0.229SC..Hα-helixtrans-68.8-49.5-178.8179.5-177.5174.1-167.40112.2E46 R76 D77 V78E46-K80 VanDerWaalsContact CD-CE 3.42Å; E46-K80 WeakPolarHBondContact OE1-CE 3.18Å; E46-K80 IonicContact OE1-NZ 2.76Å; E46-K80 WeakPolarHBondContact OE2-CE 3.42Å; E46-K80 IonicContact OE2-NZ 2.73Å; R76-K80 VanDerWaalsContact O-CB 3.26Å; R76-K80 WeakPolarHBondContact O-CB 3.16Å; R76-K80 PolarHBondContact O-N 3.29Å; D77-K80 PolarHBondContact O-N 3.38Å; V78-K80 PolarHBondContact O-N 2.88Å
81Y98.3Very high98.2Very high32 Ų3241.5 Ų41.513%0.12521%0.209CC..Hα-helixtrans-88.5-9.6-174-60.9-61.4000113.7E46 R48 L53 L56 L57 D77E46-Y81 HydrophobicContact CB-CD1 4.38Å; E46-Y81 HydrophobicContact CG-CD1 4.33Å; E46-Y81 HydrophobicContact CG-CE1 4.31Å; R48-Y81 HydrophobicContact CG-CD1 4.04Å; R48-Y81 HydrophobicContact CG-CE1 4.16Å; L53-Y81 HydrophobicContact CD1-CD1 4.26Å; L53-Y81 HydrophobicContact CD1-CD2 4Å; L53-Y81 HydrophobicContact CD1-CG 3.71Å; L56-Y81 HydrophobicContact CB-CE2 4.36Å; L56-Y81 HydrophobicContact CD1-CE1 4.21Å; L56-Y81 HydrophobicContact CD1-CE2 4.41Å; L57-Y81 HydrophobicContact CD2-CD2 4.17Å; D77-Y81 HydrophobicContact CB-CD2 4.3Å; D77-Y81 HydrophobicContact CB-CE2 4.26Å; D77-Y81 WeakPolarHBondContact O-CD2 3.41Å; D77-Y81 PolarHBondContact O-N 3.48Å
82S98.5Very high98.2Very high57 Ų5739.2 Ų39.240%0.39920%0.197SC..SBendtrans-72.6151.1171.7-68.90000112.3V78 K84V78-S82 WeakPolarHBondContact O-CB 3.4Å; V78-S82 PolarHBondContact O-N 2.96Å; V78-S82 VanDerWaalsContact O-N 3.09Å; V78-S82 PolarHBondContact O-OG 3.04Å; S82-K84 PolarHBondContact O-N 3.28Å
83I98.4Very high98.2Very high67 Ų6742 Ų4234%0.34421%0.21SC..  trans-66.6130.8173.7-54.4-58.9000110.1C45 T85 F90 M453C45-I83 HydrophobicContact CB-CD1 3.37Å; I83-T85 VanDerWaalsContact C-N 3.32Å; I83-T85 HydrophobicContact CB-CG2 4.49Å; I83-T85 HydrophobicContact CG2-CG2 4.2Å; I83-T85 PolarHBondContact O-N 3.47Å; I83-F90 HydrophobicContact CG2-CD2 3.94Å; I83-F90 HydrophobicContact CG2-CE2 3.71Å; I83-M453 HydrophobicContact CD1-CE 4.42Å; I83-M453 HydrophobicContact CD1-SD 4.06Å; I83-M453 HydrophobicContact CG2-CE 4.33Å; I83-M453 HydrophobicContact CG2-SD 3.61Å
84K98.5Very high98.2Very high23 Ų2338.6 Ų38.610%0.119%0.194CC..  trans-80.577.8175.5-58.7-172-170.7-67.90110.3E32 K43 V44 S82 S86 H87E32-K84 PolarHBondContact O-NZ 2.68Å; E32-K84 VanDerWaalsContact O-NZ 3.15Å; K43-K84 WeakPolarHBondContact O-CD 3.49Å; K43-K84 WeakPolarHBondContact O-CE 3.38Å; V44-K84 PolarHBondContact O-N 3.31Å; S82-K84 PolarHBondContact O-N 3.28Å; K84-S86 PolarHBondContact O-N 3.43Å; K84-S86 VanDerWaalsContact O-N 3.14Å; K84-H87 HydrophobicContact CB-CB 4.13Å; K84-H87 WeakPolarHBondContact O-CB 3.5Å; K84-H87 PolarHBondContact O-N 2.7Å
85T98.3Very high98.1Very high55 Ų5538.4 Ų38.434%0.33720%0.195SC..THydrogen-bonded Turntrans-65.2-16.9-178.264.90000113.5I83 H87 F90 F95 A96 G97I83-T85 VanDerWaalsContact C-N 3.32Å; I83-T85 HydrophobicContact CB-CG2 4.49Å; I83-T85 HydrophobicContact CG2-CG2 4.2Å; I83-T85 PolarHBondContact O-N 3.47Å; T85-H87 VanDerWaalsContact C-N 3.3Å; T85-F90 HydrophobicContact CG2-CE1 4.14Å; T85-F90 HydrophobicContact CG2-CE2 4.43Å; T85-F90 HydrophobicContact CG2-CZ 4.01Å; T85-F95 HydrophobicContact CG2-CE2 4.1Å; T85-A96 CarbonylContact O-C 3.56Å; T85-A96 WeakPolarHBondContact O-CA 3.29Å; T85-G97 PolarHBondContact O-N 3.19Å
86S97.6Very high98.1Very high9 Ų936.9 Ų36.96%0.06319%0.186CC..THydrogen-bonded Turntrans-76.2-15.717348.60000113.5G37 K84G37-S86 CarbonylContact O-C 3.59Å; G37-S86 PolarHBondContact O-OG 3.15Å; K84-S86 PolarHBondContact O-N 3.43Å; K84-S86 VanDerWaalsContact O-N 3.14Å
87H98.6Very high98Very high0 Ų033.1 Ų33.10%018%0.176CC..SBendtrans-66.1136.2-173.6-166-54.9000111.5G37 D39 E42 V44 K84 T85 R89 F90G37-H87 WeakPolarHBondContact O-CA 3.29Å; G37-H87 VanDerWaalsContact O-CB 3.3Å; G37-H87 WeakPolarHBondContact O-CB 3.45Å; G37-H87 PolarHBondContact O-N 2.92Å; G37-H87 VanDerWaalsContact O-N 3.11Å; D39-H87 PolarHBondContact O-NE2 3.13Å; E42-H87 PolarHBondContact O-NE2 2.91Å; V44-H87 HydrophobicContact CG2-CB 4.25Å; K84-H87 HydrophobicContact CB-CB 4.13Å; K84-H87 WeakPolarHBondContact O-CB 3.5Å; K84-H87 PolarHBondContact O-N 2.7Å; T85-H87 VanDerWaalsContact C-N 3.3Å; H87-R89 PolarHBondContact ND1-N 3.32Å; H87-R89 PolarHBondContact O-N 3.41Å; H87-F90 WeakPolarHBondContact O-CB 3.42Å; H87-F90 PolarHBondContact O-N 3.28Å
88P97.8Very high98Very high6 Ų632.3 Ų32.34%0.03917%0.172CC..THydrogen-bonded Turntrans-58.2-13.9178.2-28.435.2000116.3V40 F91 L474V40-P88 HydrophobicContact CG1-CB 4.08Å; V40-P88 HydrophobicContact CG1-CG 3.88Å; P88-F91 WeakPolarHBondContact O-CE1 3.46Å; P88-F91 WeakPolarHBondContact O-CZ 3.37Å; P88-L474 HydrophobicContact CG-CB 4.1Å
89R98.4Very high98Very high41 Ų4128.5 Ų28.516%0.15515%0.149CC..THydrogen-bonded Turntrans-107.413.4-178.6-60.8177.3-179167.2-1.5112.4V40 V44 H87 F91 T451 M452 M453 D479 F482V40-R89 PolarHBondContact O-NH1 3.38Å; V40-R89 VanDerWaalsContact O-NH1 3.11Å; V44-R89 HydrophobicContact CG2-CB 3.99Å; H87-R89 PolarHBondContact ND1-N 3.32Å; H87-R89 PolarHBondContact O-N 3.41Å; R89-F91 HydrophobicContact CB-CE2 4.33Å; R89-T451 WeakPolarHBondContact CD-O 3.32Å; R89-M452 HydrophobicContact CB-CB 4.03Å; R89-M452 WeakPolarHBondContact O-CA 3.33Å; R89-M452 WeakPolarHBondContact O-CB 3.48Å; R89-M453 PolarHBondContact O-N 3.48Å; R89-M453 VanDerWaalsContact O-N 3.08Å; R89-D479 IonicContact NE-OD1 2.73Å; R89-F482 HydrophobicContact CG-CD1 4.27Å; R89-F482 HydrophobicContact CG-CE1 4.5Å
90F98.7Very high98Very high7 Ų733.4 Ų33.43%0.03117%0.165CC..EExtended strand (participates in β ladder)trans-91.8101.7170.3-179.1-100.3000109.8V44 I83 T85 H87 N92 Q93 F95 A96 M453V44-F90 HydrophobicContact CG1-CB 4.17Å; V44-F90 HydrophobicContact CG1-CD2 4.14Å; I83-F90 HydrophobicContact CG2-CD2 3.94Å; I83-F90 HydrophobicContact CG2-CE2 3.71Å; T85-F90 HydrophobicContact CG2-CE1 4.14Å; T85-F90 HydrophobicContact CG2-CE2 4.43Å; T85-F90 HydrophobicContact CG2-CZ 4.01Å; H87-F90 WeakPolarHBondContact O-CB 3.42Å; H87-F90 PolarHBondContact O-N 3.28Å; F90-N92 HydrophobicContact CD2-CB 4.21Å; F90-N92 HydrophobicContact CE2-CB 3.64Å; F90-N92 HydrophobicContact CZ-CB 3.87Å; F90-Q93 HydrophobicContact CE1-CB 4.2Å; F90-Q93 HydrophobicContact CE1-CG 4.31Å; F90-Q93 HydrophobicContact CZ-CB 4.24Å; F90-Q93 HydrophobicContact CZ-CG 3.84Å; F90-F95 HydrophobicContact CE1-CE2 4.28Å; F90-F95 WeakPolarHBondContact CE1-O 3.15Å; F90-A96 HydrophobicContact CD1-CB 3.85Å; F90-A96 HydrophobicContact CE1-CB 4.46Å; F90-A96 WeakPolarHBondContact O-CB 3.14Å; F90-M453 HydrophobicContact CD2-CB 4.05Å; F90-M453 HydrophobicContact CD2-CG 4.48Å; F90-M453 HydrophobicContact CD2-SD 3.92Å; F90-M453 HydrophobicContact CE2-CB 4.44Å; F90-M453 HydrophobicContact CE2-CE 4.02Å; F90-M453 HydrophobicContact CE2-SD 3.96Å
91F98.4Very high98.1Very high3 Ų333.9 Ų33.91%0.01317%0.169CC..EExtended strand (participates in β ladder)trans-116.616.6179.4-51.1-69.9000112.8P88 R89 M453 V454 I468 T469 V475 M480 F483P88-F91 WeakPolarHBondContact O-CE1 3.46Å; P88-F91 WeakPolarHBondContact O-CZ 3.37Å; R89-F91 HydrophobicContact CB-CE2 4.33Å; F91-M453 CarbonylContact C-O 3.53Å; F91-M453 VanDerWaalsContact CA-O 3.3Å; F91-M453 WeakPolarHBondContact CA-O 3.41Å; F91-M453 WeakPolarHBondContact CB-O 3.29Å; F91-M453 PolarHBondContact N-O 2.96Å; F91-V454 HydrophobicContact CB-CB 4.42Å; F91-V454 HydrophobicContact CB-CG2 4.46Å; F91-I468 HydrophobicContact CB-CD1 4.48Å; F91-I468 HydrophobicContact CB-CG1 3.75Å; F91-I468 HydrophobicContact CD1-CD1 4.12Å; F91-I468 HydrophobicContact CD1-CG1 4.06Å; F91-I468 HydrophobicContact CD2-CD1 4.39Å; F91-I468 HydrophobicContact CE1-CD1 4.48Å; F91-I468 HydrophobicContact CG-CD1 4.08Å; F91-I468 HydrophobicContact CG-CG1 3.87Å; F91-T469 PolarHBondContact O-OG1 2.82Å; F91-V475 HydrophobicContact CE1-CG2 3.93Å; F91-M480 HydrophobicContact CD1-CE 4.45Å; F91-M480 HydrophobicContact CE1-CE 3.44Å; F91-M480 VanDerWaalsContact CE1-CE 3.44Å; F91-M480 HydrophobicContact CE2-CE 4.28Å; F91-M480 HydrophobicContact CZ-CE 3.32Å; F91-F483 AromaticContact CD2-CD2 3.77Å; F91-F483 HydrophobicContact CD2-CD2 3.77Å; F91-F483 HydrophobicContact CD2-CE2 4.25Å; F91-F483 HydrophobicContact CE2-CB 4.28Å; F91-F483 AromaticContact CE2-CD2 3.93Å; F91-F483 HydrophobicContact CE2-CD2 3.93Å; F91-F483 HydrophobicContact CE2-CG 4.44Å
92N98.4Very high98.1Very high19 Ų1932.4 Ų32.410%0.10216%0.163CC..SBendtrans-76-28.9-167.8-162.692000113.1F90 K443 M453 V454 R467F90-N92 HydrophobicContact CD2-CB 4.21Å; F90-N92 HydrophobicContact CE2-CB 3.64Å; F90-N92 HydrophobicContact CZ-CB 3.87Å; N92-K443 PolarHBondContact OD1-NZ 3.02Å; N92-M453 HydrophobicContact CB-CB 3.94Å; N92-M453 HydrophobicContact CB-CE 4.27Å; N92-M453 PolarHBondContact N-O 3.06Å; N92-V454 PolarHBondContact OD1-O 3.39Å; N92-R467 PolarHBondContact O-NH2 3.44Å
93Q98.1Very high98.1Very high76 Ų7630.6 Ų30.636%0.35515%0.148SC..SBendtrans-131.5163.9-168.9-58.7-62.9-1100111.3F90 F95 T469F90-Q93 HydrophobicContact CE1-CB 4.2Å; F90-Q93 HydrophobicContact CE1-CG 4.31Å; F90-Q93 HydrophobicContact CZ-CB 4.24Å; F90-Q93 HydrophobicContact CZ-CG 3.84Å; Q93-F95 HydrophobicContact CB-CD1 3.64Å; Q93-F95 HydrophobicContact CB-CE1 3.46Å; Q93-F95 VanDerWaalsContact CB-CE1 3.46Å; Q93-F95 HydrophobicContact CB-CE2 4.4Å; Q93-F95 HydrophobicContact CB-CG 4.2Å; Q93-F95 HydrophobicContact CB-CZ 3.88Å; Q93-F95 HydrophobicContact CG-CD1 4.38Å; Q93-F95 HydrophobicContact CG-CE1 3.69Å; Q93-F95 HydrophobicContact CG-CZ 3.79Å; Q93-F95 PolarHBondContact O-N 3.42Å; Q93-T469 PolarHBondContact O-OG1 3Å
94Q97.4Very high98.1Very high14 Ų1429.8 Ų29.87%0.06515%0.152CC..SBendtrans-76.424.6171.5-63.3170.7-6.800112.9T249 W277 K306 T469 L471Q94-T249 VanDerWaalsContact NE2-CG2 3.35Å; Q94-T249 PolarHBondContact NE2-O 3.18Å; Q94-W277 HydrophobicContact CB-CD2 4.33Å; Q94-W277 HydrophobicContact CB-CE3 4.08Å; Q94-W277 HydrophobicContact CB-CH2 4.45Å; Q94-W277 HydrophobicContact CB-CZ3 4.13Å; Q94-W277 HydrophobicContact CG-CD2 4.25Å; Q94-W277 HydrophobicContact CG-CE3 4.49Å; Q94-W277 HydrophobicContact CG-CZ2 4.47Å; Q94-K306 HydrophobicContact CB-CD 4Å; Q94-K306 HydrophobicContact CB-CG 4.44Å; Q94-K306 WeakPolarHBondContact O-CA 3.34Å; Q94-K306 WeakPolarHBondContact O-CB 3.43Å; Q94-K306 VanDerWaalsContact O-CG 3.29Å; Q94-K306 WeakPolarHBondContact O-CG 3.45Å; Q94-T469 HydrophobicContact CG-CG2 4.18Å; Q94-L471 VanDerWaalsContact C-CD2 3.46Å
95F97.6Very high98.1Very high62 Ų6228.7 Ų28.727%0.27215%0.147SC..  trans-145144166.964.4-92.3000106.1T85 F90 Q93 L312T85-F95 HydrophobicContact CG2-CE2 4.1Å; F90-F95 HydrophobicContact CE1-CE2 4.28Å; F90-F95 WeakPolarHBondContact CE1-O 3.15Å; Q93-F95 HydrophobicContact CB-CD1 3.64Å; Q93-F95 HydrophobicContact CB-CE1 3.46Å; Q93-F95 VanDerWaalsContact CB-CE1 3.46Å; Q93-F95 HydrophobicContact CB-CE2 4.4Å; Q93-F95 HydrophobicContact CB-CG 4.2Å; Q93-F95 HydrophobicContact CB-CZ 3.88Å; Q93-F95 HydrophobicContact CG-CD1 4.38Å; Q93-F95 HydrophobicContact CG-CE1 3.69Å; Q93-F95 HydrophobicContact CG-CZ 3.79Å; Q93-F95 PolarHBondContact O-N 3.42Å; F95-L312 HydrophobicContact CD1-CD1 4.11Å; F95-L312 HydrophobicContact CD2-CD1 4.08Å; F95-L312 HydrophobicContact CE1-CD1 4.02Å; F95-L312 HydrophobicContact CE2-CD1 4Å; F95-L312 HydrophobicContact CG-CD1 4.14Å; F95-L312 HydrophobicContact CZ-CD1 3.97Å
96A97.8Very high98.1Very high5 Ų529.1 Ų29.14%0.04114%0.143CC..  trans-171.6163.8-177.800000108.4T85 F90 V309 L471T85-A96 CarbonylContact O-C 3.56Å; T85-A96 WeakPolarHBondContact O-CA 3.29Å; F90-A96 HydrophobicContact CD1-CB 3.85Å; F90-A96 HydrophobicContact CE1-CB 4.46Å; F90-A96 WeakPolarHBondContact O-CB 3.14Å; A96-V309 WeakPolarHBondContact O-CG1 3.21Å; A96-V309 WeakPolarHBondContact O-CG2 3.18Å; A96-L471 HydrophobicContact CB-CD1 4.14Å; A96-L471 HydrophobicContact CB-CG 4.26Å
97G97Very high98.2Very high12 Ų1232.4 Ų32.412%0.12416%0.156CC..SBendtrans76.7-176.2177.200000113.1T85 S472T85-G97 PolarHBondContact O-N 3.19Å; G97-S472 WeakPolarHBondContact CA-OG 3.34Å
98V97.3Very high98.2Very high12 Ų1236.6 Ų36.67%0.07318%0.178CC..  trans-139.3131.4177.456.50000108.9T38 Y100 L103 L474T38-V98 HydrophobicContact CG2-CG1 3.75Å; V98-Y100 HydrophobicContact CG1-CE2 4.35Å; V98-L103 HydrophobicContact CG2-CD2 4.18Å; V98-L474 HydrophobicContact CG1-CD1 4.05Å
99D98.2Very high98.2Very high5 Ų536.8 Ų36.83%0.02718%0.179CC..  trans-102.1119.7163.6-175.7-80.4000108.7H101 S102 L103 M369 R381D99-H101 WeakPolarHBondContact OD1-CA 3.42Å; D99-H101 WeakPolarHBondContact OD1-CB 3.47Å; D99-H101 PolarHBondContact OD1-N 2.68Å; D99-H101 IonicContact OD1-ND1 2.78Å; D99-S102 PolarHBondContact O-N 2.91Å; D99-S102 PolarHBondContact OD1-N 2.75Å; D99-L103 WeakPolarHBondContact O-CB 3.4Å; D99-L103 PolarHBondContact O-N 2.93Å; D99-M369 HydrophobicContact CB-SD 4.14Å; D99-R381 IonicContact OD2-CZ 3.07Å; D99-R381 IonicContact OD2-NH1 3.7Å; D99-R381 PolarHBondContact OD2-NH1 3.39Å; D99-R381 IonicContact OD2-NH2 3.9Å; D99-R381 PolarHBondContact OD2-NH2 3.4Å
100Y97.8Very high98.2Very high117 Ų11739.5 Ų39.546%0.45919%0.194SC..Hα-helixtrans-69.7-31.4-174.8-67.6-80000113.1L34 V98 L103 A104L34-Y100 HydrophobicContact CB-CE1 4.49Å; V98-Y100 HydrophobicContact CG1-CE2 4.35Å; Y100-L103 PolarHBondContact O-N 3.07Å; Y100-A104 WeakPolarHBondContact O-CB 3.42Å; Y100-A104 PolarHBondContact O-N 2.93Å
101H98.6Very high98.2Very high90 Ų9043.2 Ų43.242%0.41723%0.226SC..Hα-helixtrans-71.3-43.1176-52.595.7000110.4D99 L103 A104 G105 L368 A372D99-H101 WeakPolarHBondContact OD1-CA 3.42Å; D99-H101 WeakPolarHBondContact OD1-CB 3.47Å; D99-H101 PolarHBondContact OD1-N 2.68Å; D99-H101 IonicContact OD1-ND1 2.78Å; H101-L103 VanDerWaalsContact C-N 3.3Å; H101-L103 PolarHBondContact O-N 2.94Å; H101-A104 PolarHBondContact O-N 3.49Å; H101-G105 PolarHBondContact O-N 2.86Å; H101-L368 WeakPolarHBondContact O-CD2 3.47Å; H101-A372 HydrophobicContact CB-CB 3.98Å; H101-A372 VanDerWaalsContact CD2-CB 3.42Å; H101-A372 WeakPolarHBondContact CD2-CB 3.2Å; H101-A372 VanDerWaalsContact CG-CB 3.4Å
102S98.6Very high98.2Very high0 Ų047.7 Ų47.70%025%0.249CC..Hα-helixtrans-64.4-35.9173.4-1530000111.8D99 G105 R106 A310 K365D99-S102 PolarHBondContact O-N 2.91Å; D99-S102 PolarHBondContact OD1-N 2.75Å; S102-G105 PolarHBondContact O-N 2.79Å; S102-R106 WeakPolarHBondContact O-CG 3.2Å; S102-R106 PolarHBondContact O-N 3.08Å; S102-R106 PolarHBondContact O-NE 2.99Å; S102-A310 VanDerWaalsContact OG-C 3.28Å; S102-A310 WeakPolarHBondContact OG-CA 3.15Å; S102-A310 PolarHBondContact OG-O 3.43Å; S102-K365 WeakPolarHBondContact O-CB 3.39Å; S102-K365 WeakPolarHBondContact OG-CB 3.49Å; S102-K365 PolarHBondContact OG-O 2.84Å; S102-K365 VanDerWaalsContact OG-O 3.13Å
103L98.6Very high98.2Very high19 Ų1953.2 Ų53.210%0.09928%0.279CS..Hα-helixtrans-65.1-44.5172.9-176.461.7000112.3L34 V98 D99 Y100 H101 G105 R106 F107L34-L103 HydrophobicContact CD1-CD2 3.83Å; L34-L103 HydrophobicContact CD2-CD2 3.51Å; L34-L103 HydrophobicContact CG-CD2 4.34Å; V98-L103 HydrophobicContact CG2-CD2 4.18Å; D99-L103 WeakPolarHBondContact O-CB 3.4Å; D99-L103 PolarHBondContact O-N 2.93Å; Y100-L103 PolarHBondContact O-N 3.07Å; H101-L103 VanDerWaalsContact C-N 3.3Å; H101-L103 PolarHBondContact O-N 2.94Å; L103-G105 VanDerWaalsContact C-N 3.3Å; L103-G105 PolarHBondContact O-N 3.47Å; L103-R106 WeakPolarHBondContact O-CB 3.43Å; L103-R106 PolarHBondContact O-N 3.2Å; L103-R106 VanDerWaalsContact O-N 3.09Å; L103-F107 HydrophobicContact CD1-CE1 3.98Å; L103-F107 HydrophobicContact CD1-CE2 4.01Å; L103-F107 HydrophobicContact CD1-CZ 3.69Å; L103-F107 HydrophobicContact CD2-CE2 3.99Å; L103-F107 HydrophobicContact CD2-CZ 4.1Å; L103-F107 HydrophobicContact CG-CD2 4.2Å; L103-F107 HydrophobicContact CG-CE2 3.65Å; L103-F107 HydrophobicContact CG-CZ 3.84Å; L103-F107 PolarHBondContact O-N 3.19Å
104A98.7Very high98.2Very high50 Ų5051.7 Ų51.741%0.41328%0.275SS..Hα-helixtrans-59.5-42.6173.700000111.4Y100 H101 R106 F107 L108 L368Y100-A104 WeakPolarHBondContact O-CB 3.42Å; Y100-A104 PolarHBondContact O-N 2.93Å; H101-A104 PolarHBondContact O-N 3.49Å; A104-R106 VanDerWaalsContact C-N 3.29Å; A104-R106 PolarHBondContact O-N 3.14Å; A104-F107 PolarHBondContact O-N 3.39Å; A104-L108 WeakPolarHBondContact O-CB 3.46Å; A104-L108 PolarHBondContact O-N 3.28Å; A104-L368 HydrophobicContact CB-CD2 4.44Å
105G98.7Very high98.1Very high0 Ų052.7 Ų52.70%028%0.281CS..Hα-helixtrans-61.9-35173.900000113.1H101 S102 L103 S109 L364H101-G105 PolarHBondContact O-N 2.86Å; S102-G105 PolarHBondContact O-N 2.79Å; L103-G105 VanDerWaalsContact C-N 3.3Å; L103-G105 PolarHBondContact O-N 3.47Å; G105-S109 WeakPolarHBondContact O-CB 3.42Å; G105-S109 PolarHBondContact O-N 3.4Å; G105-L364 VanDerWaalsContact O-CD2 3.29Å; G105-L364 WeakPolarHBondContact O-CD2 3.34Å
106R98.6Very high98.1Very high65 Ų6549.8 Ų49.825%0.24527%0.268CS..Hα-helixtrans-65.8-50.8172.7-75.5177.9-75.4165.6-2.2111.6S102 L103 A104 L108 S109 E110 K365S102-R106 WeakPolarHBondContact O-CG 3.2Å; S102-R106 PolarHBondContact O-N 3.08Å; S102-R106 PolarHBondContact O-NE 2.99Å; L103-R106 WeakPolarHBondContact O-CB 3.43Å; L103-R106 PolarHBondContact O-N 3.2Å; L103-R106 VanDerWaalsContact O-N 3.09Å; A104-R106 VanDerWaalsContact C-N 3.29Å; A104-R106 PolarHBondContact O-N 3.14Å; R106-L108 VanDerWaalsContact C-N 3.3Å; R106-L108 PolarHBondContact O-N 2.95Å; R106-S109 PolarHBondContact O-N 3.33Å; R106-S109 VanDerWaalsContact O-N 3.13Å; R106-E110 WeakPolarHBondContact O-CG 3.34Å; R106-E110 PolarHBondContact O-N 2.86Å; R106-K365 HydrophobicContact CG-CB 3.96Å; R106-K365 HydrophobicContact CG-CD 3.54Å; R106-K365 HydrophobicContact CG-CG 4.42Å
107F98.5Very high97.9Very high77 Ų7750.8 Ų50.834%0.33827%0.271SS..Hα-helixtrans-57.7-43.2177.4-66.5-34.6000112.1F26 I29 L103 A104 S109 E110 A111F26-F107 HydrophobicContact CE2-CD2 4.02Å; F26-F107 AromaticContact CE2-CE2 3.66Å; F26-F107 HydrophobicContact CE2-CE2 3.66Å; F26-F107 HydrophobicContact CE2-CZ 4.05Å; F26-F107 HydrophobicContact CZ-CD2 4.49Å; F26-F107 HydrophobicContact CZ-CE2 4.15Å; I29-F107 HydrophobicContact CG2-CZ 4.45Å; L103-F107 HydrophobicContact CD1-CE1 3.98Å; L103-F107 HydrophobicContact CD1-CE2 4.01Å; L103-F107 HydrophobicContact CD1-CZ 3.69Å; L103-F107 HydrophobicContact CD2-CE2 3.99Å; L103-F107 HydrophobicContact CD2-CZ 4.1Å; L103-F107 HydrophobicContact CG-CD2 4.2Å; L103-F107 HydrophobicContact CG-CE2 3.65Å; L103-F107 HydrophobicContact CG-CZ 3.84Å; L103-F107 PolarHBondContact O-N 3.19Å; A104-F107 PolarHBondContact O-N 3.39Å; F107-S109 PolarHBondContact O-N 2.96Å; F107-E110 PolarHBondContact O-N 3.2Å; F107-A111 WeakPolarHBondContact O-CB 3.22Å; F107-A111 PolarHBondContact O-N 2.95Å
108L98.6Very high97.9Very high88 Ų8850.2 Ų50.246%0.46127%0.265SS..Hα-helixtrans-63.9-41.2176.6-179.357.9000112.1A104 R106 A111 L112 L364A104-L108 WeakPolarHBondContact O-CB 3.46Å; A104-L108 PolarHBondContact O-N 3.28Å; R106-L108 VanDerWaalsContact C-N 3.3Å; R106-L108 PolarHBondContact O-N 2.95Å; L108-A111 PolarHBondContact O-N 3.43Å; L108-L112 HydrophobicContact CD1-CD1 3.79Å; L108-L112 HydrophobicContact CD1-CG 4.06Å; L108-L112 HydrophobicContact CG-CD1 3.93Å; L108-L112 WeakPolarHBondContact O-CB 3.43Å; L108-L112 WeakPolarHBondContact O-CG 3.34Å; L108-L112 PolarHBondContact O-N 3.19Å; L108-L364 HydrophobicContact CB-CD2 4.1Å; L108-L364 HydrophobicContact CD2-CD2 4.03Å; L108-L364 HydrophobicContact CG-CD2 4.01Å
109S98.2Very high97.9Very high11 Ų1153 Ų538%0.07728%0.275CS..Hα-helixtrans-64.2-40.8176.5-173.70000112.7G105 R106 F107 N113 V361G105-S109 WeakPolarHBondContact O-CB 3.42Å; G105-S109 PolarHBondContact O-N 3.4Å; R106-S109 PolarHBondContact O-N 3.33Å; R106-S109 VanDerWaalsContact O-N 3.13Å; F107-S109 PolarHBondContact O-N 2.96Å; S109-N113 PolarHBondContact O-N 2.91Å; S109-N113 VanDerWaalsContact O-N 3.09Å; S109-V361 PolarHBondContact OG-O 3.32Å
110E98.4Very high97.9Very high97 Ų9757.7 Ų57.745%0.45330%0.297SS..Hα-helixtrans-68.1-37.7176.5-60.9-47.6144.400111.5R106 F107 K360R106-E110 WeakPolarHBondContact O-CG 3.34Å; R106-E110 PolarHBondContact O-N 2.86Å; F107-E110 PolarHBondContact O-N 3.2Å; E110-K360 WeakPolarHBondContact OE1-CE 3.38Å; E110-K360 IonicContact OE1-NZ 3.69Å; E110-K360 PolarHBondContact OE1-NZ 2.76Å; E110-K360 IonicContact OE2-NZ 3.55Å; E110-K360 PolarHBondContact OE2-NZ 2.68Å
111A98.3Very high97.9Very high85 Ų8555 Ų5570%0.70229%0.293SS*.Hα-helixtrans-67.6-37178.400000112.7F107 L108F107-A111 WeakPolarHBondContact O-CB 3.22Å; F107-A111 PolarHBondContact O-N 2.95Å; L108-A111 PolarHBondContact O-N 3.43Å
112L98.4Very high97.9Very high98 Ų9850.9 Ų50.951%0.51327%0.274SS..Hα-helixtrans-78.9-26.6178.5-70.9170.7000113.3L108 T114 F125L108-L112 HydrophobicContact CD1-CD1 3.79Å; L108-L112 HydrophobicContact CD1-CG 4.06Å; L108-L112 HydrophobicContact CG-CD1 3.93Å; L108-L112 WeakPolarHBondContact O-CB 3.43Å; L108-L112 WeakPolarHBondContact O-CG 3.34Å; L108-L112 PolarHBondContact O-N 3.19Å; L112-T114 PolarHBondContact O-N 2.68Å; L112-F125 HydrophobicContact CD1-CE2 4.21Å; L112-F125 HydrophobicContact CD1-CZ 3.63Å
113N98.3Very high97.9Very high135 Ų13553.1 Ų53.172%0.72229%0.288SS*.  trans41.441.5172.1-164.931.9000115.7S109S109-N113 PolarHBondContact O-N 2.91Å; S109-N113 VanDerWaalsContact O-N 3.09Å
114T98.3Very high97.9Very high43 Ų4356.5 Ų56.526%0.26431%0.31SS..  trans-95.1172.8176-164.30000111.9L112 V121 A122 F125 V361L112-T114 PolarHBondContact O-N 2.68Å; T114-V121 PolarHBondContact OG1-O 3.2Å; T114-A122 HydrophobicContact CG2-CB 3.97Å; T114-F125 HydrophobicContact CG2-CD2 3.57Å; T114-F125 HydrophobicContact CG2-CE2 3.55Å; T114-V361 HydrophobicContact CG2-CG2 4.05Å
115N97Very high97.9Very high36 Ų3654.9 Ų54.919%0.19329%0.293CS..  trans-118.2131.6-172.8-164.4-16.1000111.3F117 V121 A122 S358 R359N115-F117 HydrophobicContact CB-CD1 3.74Å; N115-F117 HydrophobicContact CB-CE1 3.6Å; N115-F117 WeakPolarHBondContact ND2-CE1 3.38Å; N115-F117 PolarHBondContact O-N 3.44Å; N115-F117 WeakPolarHBondContact OD1-CD1 3.33Å; N115-V121 VanDerWaalsContact O-CG2 3.29Å; N115-V121 WeakPolarHBondContact O-CG2 3.42Å; N115-A122 WeakPolarHBondContact O-CB 3.32Å; N115-S358 WeakPolarHBondContact ND2-CA 3.44Å; N115-S358 VanDerWaalsContact ND2-CB 3.26Å; N115-S358 WeakPolarHBondContact ND2-CB 3.4Å; N115-S358 PolarHBondContact ND2-OG 2.99Å; N115-S358 VanDerWaalsContact OD1-CA 3.29Å; N115-S358 WeakPolarHBondContact OD1-CA 3.34Å; N115-R359 PolarHBondContact OD1-N 2.85Å; N115-R359 PolarHBondContact OD1-O 2.76Å
116L96.1Very high97.9Very high0 Ų055.2 Ų55.20%030%0.295CS..THydrogen-bonded Turntrans-95.264.2-170.5-162.163.7000112.8A122 F125 V126 E129 I350 R359 V361L116-A122 HydrophobicContact CD1-CB 3.85Å; L116-F125 HydrophobicContact CD1-CB 3.46Å; L116-F125 VanDerWaalsContact CD1-CB 3.46Å; L116-V126 HydrophobicContact CD1-CG2 3.97Å; L116-E129 HydrophobicContact CD2-CB 4.42Å; L116-E129 VanDerWaalsContact CD2-OE2 3.28Å; L116-E129 WeakPolarHBondContact CD2-OE2 2.8Å; L116-I350 HydrophobicContact CG-CD1 4.29Å; L116-R359 HydrophobicContact CB-CB 4.48Å; L116-R359 PolarHBondContact N-O 2.84Å; L116-R359 PolarHBondContact O-NE 3.02Å; L116-R359 PolarHBondContact O-NH2 3.48Å; L116-V361 HydrophobicContact CB-CG2 4.28Å; L116-V361 HydrophobicContact CD1-CG2 4.49Å
117F93.4Very high97.9Very high27 Ų2756.4 Ų56.412%0.11831%0.306CS..THydrogen-bonded Turntrans-119.5-35.9175.964.7-102.8000114.1N115 V121 L337 I350 G351N115-F117 HydrophobicContact CB-CD1 3.74Å; N115-F117 HydrophobicContact CB-CE1 3.6Å; N115-F117 WeakPolarHBondContact ND2-CE1 3.38Å; N115-F117 PolarHBondContact O-N 3.44Å; N115-F117 WeakPolarHBondContact OD1-CD1 3.33Å; F117-V121 HydrophobicContact CE1-CG2 3.95Å; F117-V121 HydrophobicContact CE2-CG2 4.01Å; F117-V121 HydrophobicContact CZ-CG1 4.27Å; F117-V121 HydrophobicContact CZ-CG2 3.62Å; F117-L337 HydrophobicContact CD2-CD1 3.71Å; F117-L337 HydrophobicContact CD2-CD2 3.91Å; F117-L337 HydrophobicContact CD2-CG 3.71Å; F117-L337 HydrophobicContact CE1-CD1 4.34Å; F117-L337 HydrophobicContact CE2-CD1 3.25Å; F117-L337 HydrophobicContact CE2-CD2 4.32Å; F117-L337 HydrophobicContact CE2-CG 3.77Å; F117-L337 HydrophobicContact CG-CD2 4.21Å; F117-L337 HydrophobicContact CG-CG 4.48Å; F117-L337 HydrophobicContact CZ-CD1 3.62Å; F117-I350 PolarHBondContact O-N 2.97Å; F117-G351 PolarHBondContact O-N 3.24Å
118T97.3Very high97.9Very high0 Ų053.7 Ų53.70%029%0.294CS..  trans-127.7156.3177.1590000112.1E120 A122 F338 D349T118-E120 VanDerWaalsContact C-N 3.26Å; T118-E120 PolarHBondContact O-N 3.08Å; T118-A122 PolarHBondContact O-N 2.63Å; T118-F338 HydrophobicContact CG2-CD1 4.23Å; T118-F338 HydrophobicContact CG2-CE1 4.24Å; T118-D349 WeakPolarHBondContact CA-OD1 3.48Å; T118-D349 WeakPolarHBondContact CB-OD1 3.28Å; T118-D349 HydrophobicContact CG2-CB 4.04Å; T118-D349 VanDerWaalsContact CG2-CG 3.42Å; T118-D349 WeakPolarHBondContact CG2-OD2 3.37Å
119Y98.1Very high97.9Very high71 Ų7149.7 Ų49.728%0.27827%0.274SS..THydrogen-bonded Turntrans-63.7-34.7172-179.3-97000111.7V121 A122 P123 V126 L127 Y344 L348 D349Y119-V121 PolarHBondContact O-N 3Å; Y119-A122 PolarHBondContact O-N 3.35Å; Y119-P123 HydrophobicContact CD1-CB 4.26Å; Y119-P123 HydrophobicContact CD2-CB 3.94Å; Y119-P123 HydrophobicContact CE1-CB 3.91Å; Y119-P123 HydrophobicContact CE2-CB 3.55Å; Y119-P123 HydrophobicContact CG-CB 4.27Å; Y119-P123 WeakPolarHBondContact O-CA 3.13Å; Y119-P123 VanDerWaalsContact O-CB 3.26Å; Y119-P123 WeakPolarHBondContact O-CB 3.44Å; Y119-P123 WeakPolarHBondContact O-CD 3.49Å; Y119-V126 HydrophobicContact CD2-CB 4.27Å; Y119-V126 HydrophobicContact CD2-CG1 4.23Å; Y119-L127 HydrophobicContact CE2-CD1 4.17Å; Y119-L127 HydrophobicContact CE2-CD2 4.36Å; Y119-L127 HydrophobicContact CE2-CG 4.08Å; Y119-Y344 AromaticContact CD1-CD2 3.93Å; Y119-Y344 HydrophobicContact CD1-CD2 3.93Å; Y119-Y344 HydrophobicContact CD1-CE2 4.13Å; Y119-Y344 HydrophobicContact CD1-CG 4.21Å; Y119-Y344 HydrophobicContact CG-CD2 4.4Å; Y119-Y344 HydrophobicContact CG-CE2 4.32Å; Y119-L348 HydrophobicContact CD2-CB 4.29Å; Y119-L348 HydrophobicContact CD2-CD1 3.86Å; Y119-L348 HydrophobicContact CE2-CD1 4.18Å; Y119-L348 HydrophobicContact CG-CB 4.25Å; Y119-L348 HydrophobicContact CG-CD1 4.05Å; Y119-D349 PolarHBondContact N-OD1 3.21Å
120E97.8Very high97.9Very high103 Ų10351.9 Ų51.948%0.48129%0.292SS..THydrogen-bonded Turntrans-55.7-42.9-179.7179.3170.5-138.500114.3T118 K342 Y344T118-E120 VanDerWaalsContact C-N 3.26Å; T118-E120 PolarHBondContact O-N 3.08Å; E120-K342 IonicContact OE2-NZ 2.93Å; E120-Y344 HydrophobicContact CB-CE1 3.88Å; E120-Y344 WeakPolarHBondContact CB-OH 3.47Å; E120-Y344 PolarHBondContact N-OH 3.21Å
121V97.5Very high97.9Very high61 Ų6151.4 Ų51.437%0.3729%0.29SS..THydrogen-bonded Turntrans-97.9-14.6-176.5-56.10000113.3T114 N115 F117 Y119T114-V121 PolarHBondContact OG1-O 3.2Å; N115-V121 VanDerWaalsContact O-CG2 3.29Å; N115-V121 WeakPolarHBondContact O-CG2 3.42Å; F117-V121 HydrophobicContact CE1-CG2 3.95Å; F117-V121 HydrophobicContact CE2-CG2 4.01Å; F117-V121 HydrophobicContact CZ-CG1 4.27Å; F117-V121 HydrophobicContact CZ-CG2 3.62Å; Y119-V121 PolarHBondContact O-N 3Å
122A98.3Very high98Very high2 Ų247.6 Ų47.62%0.01726%0.258CS..  trans-142.149.1-176.200000113.5T114 N115 L116 T118 Y119 V124 F125 V126T114-A122 HydrophobicContact CG2-CB 3.97Å; N115-A122 WeakPolarHBondContact O-CB 3.32Å; L116-A122 HydrophobicContact CD1-CB 3.85Å; T118-A122 PolarHBondContact O-N 2.63Å; Y119-A122 PolarHBondContact O-N 3.35Å; A122-V124 PolarHBondContact O-N 3.15Å; A122-F125 HydrophobicContact CB-CB 4.35Å; A122-F125 HydrophobicContact CB-CD2 4.22Å; A122-F125 PolarHBondContact O-N 3.45Å; A122-V126 WeakPolarHBondContact O-CG2 3.26Å; A122-V126 PolarHBondContact O-N 3.01Å
123P98.4Very high98Very high48 Ų4843.2 Ų43.231%0.31224%0.235SC..Hα-helixtrans-61.4-43.3-16622.8-32.8000112.9Y119 F125 L127Y119-P123 HydrophobicContact CD1-CB 4.26Å; Y119-P123 HydrophobicContact CD2-CB 3.94Å; Y119-P123 HydrophobicContact CE1-CB 3.91Å; Y119-P123 HydrophobicContact CE2-CB 3.55Å; Y119-P123 HydrophobicContact CG-CB 4.27Å; Y119-P123 WeakPolarHBondContact O-CA 3.13Å; Y119-P123 VanDerWaalsContact O-CB 3.26Å; Y119-P123 WeakPolarHBondContact O-CB 3.44Å; Y119-P123 WeakPolarHBondContact O-CD 3.49Å; P123-F125 VanDerWaalsContact C-N 3.32Å; P123-F125 PolarHBondContact O-N 2.92Å; P123-L127 WeakPolarHBondContact O-CG 3.36Å; P123-L127 PolarHBondContact O-N 2.58Å
124V98.8Very high98Very high90 Ų9042.6 Ų42.655%0.54522%0.223SC..Hα-helixtrans-62.1-42.2177.5176.40000111.1A122 M128A122-V124 PolarHBondContact O-N 3.15Å; V124-M128 HydrophobicContact CG1-CE 4.2Å; V124-M128 VanDerWaalsContact O-CB 3.24Å; V124-M128 WeakPolarHBondContact O-CB 3.48Å; V124-M128 PolarHBondContact O-N 2.97Å
125F98.7Very high98Very high16 Ų1641.3 Ų41.37%0.0722%0.217CC..Hα-helixtrans-79-31.2-172.6-57.6-49.8000113L112 T114 L116 A122 P123 M128 E129 V361 L364L112-F125 HydrophobicContact CD1-CE2 4.21Å; L112-F125 HydrophobicContact CD1-CZ 3.63Å; T114-F125 HydrophobicContact CG2-CD2 3.57Å; T114-F125 HydrophobicContact CG2-CE2 3.55Å; L116-F125 HydrophobicContact CD1-CB 3.46Å; L116-F125 VanDerWaalsContact CD1-CB 3.46Å; A122-F125 HydrophobicContact CB-CB 4.35Å; A122-F125 HydrophobicContact CB-CD2 4.22Å; A122-F125 PolarHBondContact O-N 3.45Å; P123-F125 VanDerWaalsContact C-N 3.32Å; P123-F125 PolarHBondContact O-N 2.92Å; F125-M128 HydrophobicContact CD1-SD 4.46Å; F125-M128 PolarHBondContact O-N 2.72Å; F125-E129 VanDerWaalsContact O-CB 3.3Å; F125-E129 WeakPolarHBondContact O-CB 3.34Å; F125-E129 PolarHBondContact O-N 2.99Å; F125-V361 HydrophobicContact CB-CG1 3.95Å; F125-V361 HydrophobicContact CB-CG2 4.11Å; F125-V361 HydrophobicContact CD1-CG1 3.47Å; F125-V361 VanDerWaalsContact CD1-CG1 3.47Å; F125-V361 HydrophobicContact CD2-CB 4.38Å; F125-V361 HydrophobicContact CD2-CG1 3.94Å; F125-V361 HydrophobicContact CD2-CG2 3.54Å; F125-V361 HydrophobicContact CE1-CG1 3.89Å; F125-V361 HydrophobicContact CE2-CG1 4.3Å; F125-V361 HydrophobicContact CE2-CG2 4.07Å; F125-V361 HydrophobicContact CG-CB 4.34Å; F125-V361 HydrophobicContact CG-CG1 3.5Å; F125-V361 VanDerWaalsContact CG-CG1 3.5Å; F125-V361 HydrophobicContact CG-CG2 3.83Å; F125-V361 HydrophobicContact CZ-CG1 4.26Å; F125-L364 HydrophobicContact CD1-CB 4.45Å; F125-L364 HydrophobicContact CE1-CB 4.19Å; F125-L364 HydrophobicContact CE1-CD1 4.38Å; F125-L364 HydrophobicContact CE1-CD2 3.91Å; F125-L364 HydrophobicContact CE1-CG 4.38Å; F125-L364 HydrophobicContact CZ-CD2 4.35Å
126V98.6Very high98.1Very high6 Ų639.6 Ų39.64%0.03621%0.208CC..Hα-helixtrans-60.3-49.7171.5166.90000110.4L116 Y119 A122 M128 E129 A130 L348 I350L116-V126 HydrophobicContact CD1-CG2 3.97Å; Y119-V126 HydrophobicContact CD2-CB 4.27Å; Y119-V126 HydrophobicContact CD2-CG1 4.23Å; A122-V126 WeakPolarHBondContact O-CG2 3.26Å; A122-V126 PolarHBondContact O-N 3.01Å; V126-M128 VanDerWaalsContact C-N 3.33Å; V126-M128 PolarHBondContact O-N 3.12Å; V126-E129 PolarHBondContact O-N 3.29Å; V126-A130 PolarHBondContact O-N 3.47Å; V126-A130 VanDerWaalsContact O-N 3.1Å; V126-L348 HydrophobicContact CG1-CB 4.26Å; V126-L348 VanDerWaalsContact CG1-O 3.25Å; V126-L348 WeakPolarHBondContact CG1-O 3.4Å; V126-I350 HydrophobicContact CG2-CD1 4.23Å
127L98.8Very high98.3Very high91 Ų9140.9 Ų40.948%0.47621%0.213SC..Hα-helixtrans-65.1-39178-61.5179.8000111.9Y119 P123 A130 E131 L348Y119-L127 HydrophobicContact CE2-CD1 4.17Å; Y119-L127 HydrophobicContact CE2-CD2 4.36Å; Y119-L127 HydrophobicContact CE2-CG 4.08Å; P123-L127 WeakPolarHBondContact O-CG 3.36Å; P123-L127 PolarHBondContact O-N 2.58Å; L127-A130 PolarHBondContact O-N 3.45Å; L127-E131 PolarHBondContact O-N 2.92Å; L127-E131 VanDerWaalsContact O-N 3.08Å; L127-L348 HydrophobicContact CD2-CD2 4.39Å
128M98.8Very high98.5Very high19 Ų1942.2 Ų42.29%0.09423%0.229CC..Hα-helixtrans-66.3-43.5178.4-173.2177.7-70.400112.5V124 F125 V126 A130 E131 V132 L364 W367V124-M128 HydrophobicContact CG1-CE 4.2Å; V124-M128 VanDerWaalsContact O-CB 3.24Å; V124-M128 WeakPolarHBondContact O-CB 3.48Å; V124-M128 PolarHBondContact O-N 2.97Å; F125-M128 HydrophobicContact CD1-SD 4.46Å; F125-M128 PolarHBondContact O-N 2.72Å; V126-M128 VanDerWaalsContact C-N 3.33Å; V126-M128 PolarHBondContact O-N 3.12Å; M128-A130 VanDerWaalsContact C-N 3.34Å; M128-E131 PolarHBondContact O-N 2.79Å; M128-V132 WeakPolarHBondContact O-CG2 3.31Å; M128-V132 PolarHBondContact O-N 3.41Å; M128-L364 HydrophobicContact CE-CD1 3.91Å; M128-L364 VanDerWaalsContact SD-CA 3.54Å; M128-L364 HydrophobicContact SD-CB 4.07Å; M128-L364 HydrophobicContact SD-CD1 3.8Å; M128-W367 HydrophobicContact CE-CD2 3.67Å; M128-W367 HydrophobicContact CE-CE3 3.66Å; M128-W367 HydrophobicContact CE-CG 4.11Å; M128-W367 HydrophobicContact CE-CH2 4.39Å; M128-W367 HydrophobicContact CE-CZ2 4.37Å; M128-W367 HydrophobicContact CE-CZ3 4.05Å; M128-W367 HydrophobicContact CG-CB 3.72Å; M128-W367 HydrophobicContact CG-CD2 4.09Å; M128-W367 HydrophobicContact CG-CG 3.52Å; M128-W367 HydrophobicContact SD-CB 3.65Å; M128-W367 HydrophobicContact SD-CD2 3.88Å; M128-W367 HydrophobicContact SD-CE3 4.12Å; M128-W367 HydrophobicContact SD-CG 3.69Å
129E98.8Very high98.6Very high5 Ų544.7 Ų44.72%0.02324%0.242CC..Hα-helixtrans-61.6-44.2175.9179.5164.393.800110.8L116 F125 V126 E131 V132 L133 F149 I350 R359 C363L116-E129 HydrophobicContact CD2-CB 4.42Å; L116-E129 VanDerWaalsContact CD2-OE2 3.28Å; L116-E129 WeakPolarHBondContact CD2-OE2 2.8Å; F125-E129 VanDerWaalsContact O-CB 3.3Å; F125-E129 WeakPolarHBondContact O-CB 3.34Å; F125-E129 PolarHBondContact O-N 2.99Å; V126-E129 PolarHBondContact O-N 3.29Å; E129-E131 VanDerWaalsContact C-N 3.33Å; E129-E131 PolarHBondContact O-N 3.42Å; E129-V132 PolarHBondContact O-N 2.95Å; E129-L133 HydrophobicContact CG-CD1 3.69Å; E129-L133 HydrophobicContact CG-CG 4.19Å; E129-L133 WeakPolarHBondContact O-CB 3.14Å; E129-L133 VanDerWaalsContact O-CG 3.22Å; E129-L133 WeakPolarHBondContact O-CG 3.18Å; E129-L133 PolarHBondContact O-N 2.93Å; E129-F149 HydrophobicContact CG-CD2 3.66Å; E129-F149 HydrophobicContact CG-CE2 3.89Å; E129-F149 WeakPolarHBondContact OE2-CB 3.28Å; E129-F149 WeakPolarHBondContact OE2-CD2 3.49Å; E129-I350 WeakPolarHBondContact OE1-CD1 3.48Å; E129-R359 VanDerWaalsContact CD-NH1 3.3Å; E129-R359 IonicContact OE1-CZ 3.74Å; E129-R359 VanDerWaalsContact OE1-CZ 3.31Å; E129-R359 IonicContact OE1-NH1 2.8Å; E129-R359 PolarHBondContact OE1-NH1 3.22Å; E129-R359 IonicContact OE1-NH2 2.89Å; E129-R359 PolarHBondContact OE1-NH2 3.4Å; E129-R359 IonicContact OE2-CZ 3.84Å; E129-R359 IonicContact OE2-NH1 3.25Å; E129-R359 PolarHBondContact OE2-NH1 2.9Å; E129-R359 IonicContact OE2-NH2 2.8Å; E129-C363 HydrophobicContact CB-CB 3.98Å; E129-C363 HydrophobicContact CG-CB 4.5Å
130A98.6Very high98.6Very high56 Ų5641.5 Ų41.546%0.46323%0.23SC..Hα-helixtrans-57-45.6175.600000112.1V126 L127 M128 R134V126-A130 PolarHBondContact O-N 3.47Å; V126-A130 VanDerWaalsContact O-N 3.1Å; L127-A130 PolarHBondContact O-N 3.45Å; M128-A130 VanDerWaalsContact C-N 3.34Å; A130-R134 WeakPolarHBondContact O-CB 3.2Å; A130-R134 PolarHBondContact O-N 3.17Å
131E98.8Very high98.7Very high88 Ų8839 Ų3941%0.41123%0.233SC..Hα-helixtrans-67.6-41.8179.3177.657-167.400112.7L127 M128 E129 R134 G135L127-E131 PolarHBondContact O-N 2.92Å; L127-E131 VanDerWaalsContact O-N 3.08Å; M128-E131 PolarHBondContact O-N 2.79Å; E129-E131 VanDerWaalsContact C-N 3.33Å; E129-E131 PolarHBondContact O-N 3.42Å; E131-R134 PolarHBondContact O-N 2.76Å; E131-R134 IonicContact OE1-CZ 3.42Å; E131-R134 IonicContact OE1-NE 2.84Å; E131-R134 IonicContact OE1-NH2 3.29Å; E131-R134 PolarHBondContact OE1-NH2 2.8Å; E131-R134 IonicContact OE2-CZ 3.8Å; E131-R134 IonicContact OE2-NE 3.81Å; E131-R134 PolarHBondContact OE2-NE 3.08Å; E131-R134 IonicContact OE2-NH2 2.75Å; E131-R134 PolarHBondContact OE2-NH2 3.11Å; E131-G135 PolarHBondContact O-N 3.4Å
132V98.9Very high98.7Very high4 Ų436.7 Ų36.72%0.02422%0.217CC..Hα-helixtrans-64.2-46.31771730000110.9M128 E129 R134 G135 L136 F149 L366 W367M128-V132 WeakPolarHBondContact O-CG2 3.31Å; M128-V132 PolarHBondContact O-N 3.41Å; E129-V132 PolarHBondContact O-N 2.95Å; V132-R134 VanDerWaalsContact C-N 3.31Å; V132-R134 PolarHBondContact O-N 3.3Å; V132-G135 PolarHBondContact O-N 3.39Å; V132-L136 HydrophobicContact CG1-CD1 4Å; V132-L136 HydrophobicContact CG1-CG 4.39Å; V132-L136 WeakPolarHBondContact O-CG 3.18Å; V132-L136 PolarHBondContact O-N 3.31Å; V132-F149 HydrophobicContact CG1-CE2 4.2Å; V132-F149 HydrophobicContact CG1-CZ 3.8Å; V132-L366 HydrophobicContact CG1-CD2 3.68Å; V132-L366 HydrophobicContact CG1-CG 4.21Å; V132-W367 HydrophobicContact CG2-CB 3.77Å; V132-W367 HydrophobicContact CG2-CG 4.24Å
133L98.9Very high98.6Very high7 Ų743.3 Ų43.34%0.03726%0.258CS..Hα-helixtrans-62.3-39.8177.9-68.3169.7000111.4E129 L136 R137 G147 F149 V316 L318E129-L133 HydrophobicContact CG-CD1 3.69Å; E129-L133 HydrophobicContact CG-CG 4.19Å; E129-L133 WeakPolarHBondContact O-CB 3.14Å; E129-L133 VanDerWaalsContact O-CG 3.22Å; E129-L133 WeakPolarHBondContact O-CG 3.18Å; E129-L133 PolarHBondContact O-N 2.93Å; L133-L136 PolarHBondContact O-N 2.98Å; L133-R137 WeakPolarHBondContact O-CB 3.3Å; L133-R137 WeakPolarHBondContact O-CG 3.48Å; L133-R137 PolarHBondContact O-N 3.18Å; L133-G147 WeakPolarHBondContact CD1-O 3.44Å; L133-F149 HydrophobicContact CD2-CD2 4.18Å; L133-F149 HydrophobicContact CD2-CE2 4.04Å; L133-F149 HydrophobicContact CG-CD2 4.45Å; L133-F149 HydrophobicContact CG-CE2 4.16Å; L133-V316 HydrophobicContact CD2-CB 4.01Å; L133-V316 HydrophobicContact CD2-CG1 3.88Å; L133-L318 HydrophobicContact CD2-CD2 3.65Å
134R98.8Very high98.5Very high122 Ų12247.3 Ų47.346%0.4627%0.272SS..Hα-helixtrans-59.5-46.7173.3-170.8-166.97076.42.1111.5A130 E131 V132 L136 R137 A138A130-R134 WeakPolarHBondContact O-CB 3.2Å; A130-R134 PolarHBondContact O-N 3.17Å; E131-R134 PolarHBondContact O-N 2.76Å; E131-R134 IonicContact OE1-CZ 3.42Å; E131-R134 IonicContact OE1-NE 2.84Å; E131-R134 IonicContact OE1-NH2 3.29Å; E131-R134 PolarHBondContact OE1-NH2 2.8Å; E131-R134 IonicContact OE2-CZ 3.8Å; E131-R134 IonicContact OE2-NE 3.81Å; E131-R134 PolarHBondContact OE2-NE 3.08Å; E131-R134 IonicContact OE2-NH2 2.75Å; E131-R134 PolarHBondContact OE2-NH2 3.11Å; V132-R134 VanDerWaalsContact C-N 3.31Å; V132-R134 PolarHBondContact O-N 3.3Å; R134-L136 PolarHBondContact O-N 3.4Å; R134-R137 PolarHBondContact O-N 2.8Å; R134-A138 PolarHBondContact O-N 3.29Å
135G98.8Very high98.5Very high15 Ų1543.9 Ų43.916%0.15526%0.255CS..Hα-helixtrans-60.9-42.517700000113.1E131 V132 A138 L139E131-G135 PolarHBondContact O-N 3.4Å; V132-G135 PolarHBondContact O-N 3.39Å; G135-A138 PolarHBondContact O-N 2.84Å; G135-L139 PolarHBondContact O-N 2.77Å
136L98.9Very high98.5Very high0 Ų044 Ų440%026%0.257CS..Hα-helixtrans-69.7-39177.6-62.4173000112.2V132 L133 R134 A138 L139 V140 F283 W302 V316 L318 L366 W370V132-L136 HydrophobicContact CG1-CD1 4Å; V132-L136 HydrophobicContact CG1-CG 4.39Å; V132-L136 WeakPolarHBondContact O-CG 3.18Å; V132-L136 PolarHBondContact O-N 3.31Å; L133-L136 PolarHBondContact O-N 2.98Å; R134-L136 PolarHBondContact O-N 3.4Å; L136-A138 VanDerWaalsContact C-N 3.33Å; L136-A138 PolarHBondContact O-N 2.93Å; L136-L139 WeakPolarHBondContact O-CB 3.26Å; L136-L139 PolarHBondContact O-N 2.7Å; L136-V140 PolarHBondContact O-N 3.05Å; L136-F283 HydrophobicContact CD2-CE2 4.46Å; L136-F283 HydrophobicContact CD2-CZ 4.44Å; L136-W302 HydrophobicContact CB-CE3 4.26Å; L136-W302 HydrophobicContact CB-CZ3 4.04Å; L136-W302 HydrophobicContact CD2-CD2 4.47Å; L136-W302 HydrophobicContact CD2-CE3 3.96Å; L136-W302 HydrophobicContact CD2-CH2 3.58Å; L136-W302 HydrophobicContact CD2-CZ2 4.08Å; L136-W302 HydrophobicContact CD2-CZ3 3.52Å; L136-W302 HydrophobicContact CG-CZ3 4.33Å; L136-V316 HydrophobicContact CD1-CB 4.48Å; L136-V316 HydrophobicContact CD1-CG1 3.99Å; L136-V316 HydrophobicContact CD1-CG2 3.83Å; L136-L318 HydrophobicContact CB-CD1 3.84Å; L136-L318 HydrophobicContact CB-CD2 4.28Å; L136-L366 HydrophobicContact CD1-CD2 4.35Å; L136-W370 HydrophobicContact CD2-CH2 3.85Å; L136-W370 HydrophobicContact CD2-CZ3 3.62Å; L136-W370 HydrophobicContact CG-CH2 4.32Å; L136-W370 HydrophobicContact CG-CZ3 3.97Å
137R98.8Very high98.5Very high27 Ų2744 Ų4410%0.10226%0.257CS..Hα-helixtrans-61.8-39.9173.1-77.1-165.4-59.8-86.6-1.6112.3L133 R134 L139 V140 G141 W142 G145 D146 L318L133-R137 WeakPolarHBondContact O-CB 3.3Å; L133-R137 WeakPolarHBondContact O-CG 3.48Å; L133-R137 PolarHBondContact O-N 3.18Å; R134-R137 PolarHBondContact O-N 2.8Å; R137-L139 VanDerWaalsContact C-N 3.26Å; R137-L139 PolarHBondContact O-N 3.25Å; R137-V140 WeakPolarHBondContact O-CA 3.16Å; R137-V140 WeakPolarHBondContact O-CB 3.4Å; R137-V140 PolarHBondContact O-N 3.42Å; R137-G141 PolarHBondContact O-N 3.29Å; R137-G141 VanDerWaalsContact O-N 3.08Å; R137-W142 CarbonylContact C-O 3.46Å; R137-W142 HydrophobicContact CB-CB 4.35Å; R137-W142 HydrophobicContact CG-CE3 4.15Å; R137-W142 PolarHBondContact O-N 3.06Å; R137-G145 PolarHBondContact NE-O 2.75Å; R137-G145 PolarHBondContact NH2-O 3.25Å; R137-D146 PolarHBondContact NH1-O 2.96Å; R137-L318 HydrophobicContact CG-CB 4.2Å; R137-L318 HydrophobicContact CG-CD1 4.41Å; R137-L318 HydrophobicContact CG-CD2 4.12Å; R137-L318 HydrophobicContact CG-CG 4.47Å
138A98.7Very high98.5Very high56 Ų5639.9 Ų39.946%0.46324%0.236SC..Hα-helixtrans-59.8-38.1176.300000111.8R134 G135 L136 V140 G141 W142R134-A138 PolarHBondContact O-N 3.29Å; G135-A138 PolarHBondContact O-N 2.84Å; L136-A138 VanDerWaalsContact C-N 3.33Å; L136-A138 PolarHBondContact O-N 2.93Å; A138-V140 VanDerWaalsContact C-N 3.35Å; A138-G141 PolarHBondContact O-N 3.06Å; A138-G141 VanDerWaalsContact O-N 3.09Å; A138-W142 WeakPolarHBondContact CA-O 3.36Å; A138-W142 PolarHBondContact N-O 3.33Å
139L98.8Very high98.5Very high51 Ų5139 Ų3927%0.26723%0.232SC..Hα-helixtrans-67.8-31.9174.7-67.8171.9000113.2G135 L136 R137 G141 L282 F283 W302 W370G135-L139 PolarHBondContact O-N 2.77Å; L136-L139 WeakPolarHBondContact O-CB 3.26Å; L136-L139 PolarHBondContact O-N 2.7Å; R137-L139 VanDerWaalsContact C-N 3.26Å; R137-L139 PolarHBondContact O-N 3.25Å; L139-G141 PolarHBondContact O-N 3.32Å; L139-L282 HydrophobicContact CB-CB 4.11Å; L139-F283 HydrophobicContact CD1-CD1 3.96Å; L139-F283 HydrophobicContact CD1-CD2 4.08Å; L139-F283 HydrophobicContact CD1-CE1 3.58Å; L139-F283 HydrophobicContact CD1-CE2 3.7Å; L139-F283 HydrophobicContact CD1-CG 4.2Å; L139-F283 HydrophobicContact CD1-CZ 3.45Å; L139-F283 VanDerWaalsContact CD1-CZ 3.45Å; L139-W302 HydrophobicContact CB-CH2 4.5Å; L139-W302 HydrophobicContact CB-CZ3 4.39Å; L139-W302 HydrophobicContact CD1-CH2 3.79Å; L139-W302 HydrophobicContact CD1-CZ3 4.31Å; L139-W370 HydrophobicContact CD1-CH2 4.06Å; L139-W370 HydrophobicContact CD1-CZ2 4.22Å
140V98.8Very high98.5Very high4 Ų438.9 Ų38.92%0.02423%0.231CC..Hα-helixtrans-68.8-22.5171.2172.30000111.6L136 R137 A138 W142 L282 V294 H295 V300 L318L136-V140 PolarHBondContact O-N 3.05Å; R137-V140 WeakPolarHBondContact O-CA 3.16Å; R137-V140 WeakPolarHBondContact O-CB 3.4Å; R137-V140 PolarHBondContact O-N 3.42Å; A138-V140 VanDerWaalsContact C-N 3.35Å; V140-W142 HydrophobicContact CB-CD2 4.41Å; V140-W142 HydrophobicContact CB-CE3 4.42Å; V140-W142 HydrophobicContact CG1-CD2 3.69Å; V140-W142 HydrophobicContact CG1-CE3 3.9Å; V140-W142 HydrophobicContact CG1-CG 4.31Å; V140-W142 HydrophobicContact CG1-CH2 3.89Å; V140-W142 HydrophobicContact CG1-CZ2 3.64Å; V140-W142 HydrophobicContact CG1-CZ3 4Å; V140-L282 HydrophobicContact CG2-CD1 3.96Å; V140-V294 HydrophobicContact CG1-CG1 4.22Å; V140-V294 HydrophobicContact CG1-CG2 4.12Å; V140-H295 WeakPolarHBondContact O-CB 3.32Å; V140-V300 HydrophobicContact CG1-CG2 4.12Å; V140-V300 HydrophobicContact CG2-CG2 4.37Å; V140-L318 HydrophobicContact CG2-CD1 3.93Å
141G98.6Very high98.4Very high52 Ų5238 Ų3854%0.53622%0.22SC..THydrogen-bonded Turntrans100.421.3-176.600000113.8R137 A138 L139R137-G141 PolarHBondContact O-N 3.29Å; R137-G141 VanDerWaalsContact O-N 3.08Å; A138-G141 PolarHBondContact O-N 3.06Å; A138-G141 VanDerWaalsContact O-N 3.09Å; L139-G141 PolarHBondContact O-N 3.32Å
142W98.7Very high98.4Very high12 Ų1234.1 Ų34.15%0.04521%0.205CC..  trans-109.4129.4175.5-56.4-29.4000111.4R137 A138 V140 E144 H295 A297 V300 L318 K320R137-W142 CarbonylContact C-O 3.46Å; R137-W142 HydrophobicContact CB-CB 4.35Å; R137-W142 HydrophobicContact CG-CE3 4.15Å; R137-W142 PolarHBondContact O-N 3.06Å; A138-W142 WeakPolarHBondContact CA-O 3.36Å; A138-W142 PolarHBondContact N-O 3.33Å; V140-W142 HydrophobicContact CB-CD2 4.41Å; V140-W142 HydrophobicContact CB-CE3 4.42Å; V140-W142 HydrophobicContact CG1-CD2 3.69Å; V140-W142 HydrophobicContact CG1-CE3 3.9Å; V140-W142 HydrophobicContact CG1-CG 4.31Å; V140-W142 HydrophobicContact CG1-CH2 3.89Å; V140-W142 HydrophobicContact CG1-CZ2 3.64Å; V140-W142 HydrophobicContact CG1-CZ3 4Å; W142-E144 WeakPolarHBondContact CB-O 3.17Å; W142-H295 PolarHBondContact NE1-O 2.98Å; W142-A297 HydrophobicContact CZ2-CB 4.18Å; W142-A297 WeakPolarHBondContact CZ2-O 3.46Å; W142-V300 HydrophobicContact CH2-CG2 3.75Å; W142-V300 HydrophobicContact CZ2-CG2 4.38Å; W142-V300 HydrophobicContact CZ3-CG2 4.4Å; W142-L318 HydrophobicContact CZ3-CB 4.01Å; W142-K320 HydrophobicContact CD2-CB 4.11Å; W142-K320 HydrophobicContact CD2-CG 4.28Å; W142-K320 HydrophobicContact CE3-CB 4.36Å; W142-K320 HydrophobicContact CG-CG 4.38Å; W142-K320 HydrophobicContact CH2-CB 4.27Å; W142-K320 HydrophobicContact CZ2-CB 4.04Å; W142-K320 HydrophobicContact CZ3-CB 4.43Å
143T96.6Very high98.4Very high141 Ų14134.3 Ų34.387%0.86521%0.207SC*.SBendtrans-84.6-26.1175.350.80000112.6
144E96.5Very high98.4Very high131 Ų13136 Ų3661%0.61222%0.22SC*.SBendtrans-126.6173.5177.2-60.3-173.3158.900109.9W142 T322W142-E144 WeakPolarHBondContact CB-O 3.17Å; E144-T322 HydrophobicContact CB-CG2 3.76Å
145G98.3Very high98.4Very high19 Ų1931.9 Ų31.920%0.19621%0.208CC..  trans135.5-176.4175.500000112.6R137 L319 D321R137-G145 PolarHBondContact NE-O 2.75Å; R137-G145 PolarHBondContact NH2-O 3.25Å; G145-L319 VanDerWaalsContact CA-O 3.3Å; G145-L319 WeakPolarHBondContact CA-O 3.09Å; G145-D321 CarbonylContact C-O 3.51Å; G145-D321 VanDerWaalsContact CA-O 3.27Å; G145-D321 WeakPolarHBondContact CA-O 3.27Å
146D98.6Very high98.4Very high19 Ų1931.1 Ų31.110%0.10220%0.201CC..EExtended strand (participates in β ladder)trans-122.8178.9-177.3-155.50.2000111.3R137 L319 D321 L326 K353R137-D146 PolarHBondContact NH1-O 2.96Å; D146-L319 HydrophobicContact CB-CB 4.42Å; D146-L319 PolarHBondContact N-O 3.31Å; D146-L319 PolarHBondContact O-N 3.21Å; D146-D321 PolarHBondContact N-O 3.19Å; D146-D321 VanDerWaalsContact N-O 3.16Å; D146-L326 HydrophobicContact CB-CD1 4.22Å; D146-K353 IonicContact OD1-NZ 2.73Å; D146-K353 PolarHBondContact OD1-NZ 2.8Å; D146-K353 IonicContact OD2-NZ 3.3Å; D146-K353 PolarHBondContact OD2-NZ 2.84Å
147G98.5Very high98.4Very high5 Ų531.5 Ų31.55%0.05220%0.202CC..EExtended strand (participates in β ladder)trans169.7173.7173.800000112.8L133 L317L133-G147 WeakPolarHBondContact CD1-O 3.44Å; G147-L317 CarbonylContact C-O 3.51Å; G147-L317 WeakPolarHBondContact CA-O 3.24Å
148L97.8Very high98.4Very high4 Ų432.1 Ų32.12%0.02121%0.207CC..EExtended strand (participates in β ladder)trans-153.5161.8171.165.5145.2000110.8Y159 V316 L317 L326L148-Y159 HydrophobicContact CD1-CD1 4.32Å; L148-Y159 HydrophobicContact CD1-CE1 3.65Å; L148-Y159 HydrophobicContact CD2-CD1 4.06Å; L148-Y159 HydrophobicContact CD2-CE1 4.06Å; L148-Y159 HydrophobicContact CG-CE1 4.47Å; L148-V316 WeakPolarHBondContact O-CA 3.44Å; L148-L317 HydrophobicContact CD2-CD2 4.4Å; L148-L317 PolarHBondContact N-O 2.98Å; L148-L317 PolarHBondContact O-N 3.14Å; L148-L326 HydrophobicContact CD2-CD1 3.52Å; L148-L326 HydrophobicContact CD2-CD2 3.35Å; L148-L326 HydrophobicContact CD2-CG 4.07Å
149F98.8Very high98.4Very high2 Ų229.7 Ų29.71%0.00919%0.186CC..EExtended strand (participates in β ladder)trans-79.4139164-77.5-109.6000110.7E129 V132 L133 S315 V316 D362 C363 L366E129-F149 HydrophobicContact CG-CD2 3.66Å; E129-F149 HydrophobicContact CG-CE2 3.89Å; E129-F149 WeakPolarHBondContact OE2-CB 3.28Å; E129-F149 WeakPolarHBondContact OE2-CD2 3.49Å; V132-F149 HydrophobicContact CG1-CE2 4.2Å; V132-F149 HydrophobicContact CG1-CZ 3.8Å; L133-F149 HydrophobicContact CD2-CD2 4.18Å; L133-F149 HydrophobicContact CD2-CE2 4.04Å; L133-F149 HydrophobicContact CG-CD2 4.45Å; L133-F149 HydrophobicContact CG-CE2 4.16Å; F149-S315 CarbonylContact C-O 3.32Å; F149-S315 WeakPolarHBondContact CA-O 3.44Å; F149-V316 HydrophobicContact CD1-CG1 3.74Å; F149-V316 HydrophobicContact CD2-CG1 3.81Å; F149-V316 HydrophobicContact CE1-CG1 3.57Å; F149-V316 HydrophobicContact CE2-CG1 3.67Å; F149-V316 HydrophobicContact CG-CG1 3.87Å; F149-V316 HydrophobicContact CZ-CG1 3.54Å; F149-D362 HydrophobicContact CB-CB 4.45Å; F149-D362 HydrophobicContact CD1-CB 3.67Å; F149-D362 HydrophobicContact CE1-CB 4.31Å; F149-D362 HydrophobicContact CG-CB 4.33Å; F149-C363 HydrophobicContact CD2-CB 4.49Å; F149-C363 HydrophobicContact CE2-CB 3.91Å; F149-C363 HydrophobicContact CZ-CB 3.96Å; F149-L366 HydrophobicContact CE1-CD2 4.45Å; F149-L366 HydrophobicContact CZ-CD2 4.25Å
150C98.6Very high98.4Very high1 Ų127.2 Ų27.21%0.00717%0.173CC..EExtended strand (participates in β ladder)trans-120.9155178.5-58.10000110.9G152 T155 S156 S315C150-G152 PolarHBondContact O-N 2.76Å; C150-T155 HydrophobicContact CB-CG2 4.26Å; C150-S156 WeakPolarHBondContact CB-OG 3.43Å; C150-S315 PolarHBondContact N-O 3.08Å; C150-S315 WeakPolarHBondContact O-CB 3.35Å
151P98.1Very high98.4Very high37 Ų3727.4 Ų27.424%0.2417%0.174CC..SBendtrans-77.662.9177.632.8-36.6000110.5T155 Q313P151-T155 HydrophobicContact CG-CG2 4.08Å; P151-Q313 VanDerWaalsContact C-CD 3.49Å; P151-Q313 VanDerWaalsContact C-NE2 3.27Å; P151-Q313 VanDerWaalsContact C-OE1 3.27Å; P151-Q313 PolarHBondContact O-NE2 3.28Å; P151-Q313 PolarHBondContact O-OE1 2.92Å
152G98.3Very high98.4Very high8 Ų826.2 Ų26.28%0.08216%0.155CC..SBendtrans106.6157-179.100000114.9C150 S154 T155 S156 S315C150-G152 PolarHBondContact O-N 2.76Å; G152-S154 VanDerWaalsContact C-N 3.29Å; G152-S154 PolarHBondContact O-N 2.88Å; G152-T155 PolarHBondContact O-N 2.99Å; G152-S156 PolarHBondContact O-N 3.4Å; G152-S156 VanDerWaalsContact O-N 3.14Å; G152-S156 PolarHBondContact O-OG 3.32Å; G152-S315 VanDerWaalsContact C-CB 3.49Å; G152-S315 VanDerWaalsContact C-OG 3.23Å; G152-S315 PolarHBondContact O-OG 2.96Å
153G98.5Very high98.4Very high8 Ų825.6 Ų25.68%0.08215%0.153CC..Hα-helixtrans-63.8-33.3-179.400000112.9T155 S156 N157 N303 S315G153-T155 VanDerWaalsContact C-N 3.29Å; G153-T155 PolarHBondContact O-N 3.5Å; G153-S156 WeakPolarHBondContact O-CA 3.3Å; G153-S156 WeakPolarHBondContact O-CB 3.44Å; G153-S156 PolarHBondContact O-N 2.87Å; G153-N157 PolarHBondContact O-N 3.03Å; G153-N157 PolarHBondContact O-OD1 3.19Å; G153-N303 WeakPolarHBondContact CA-OD1 3.14Å; G153-S315 VanDerWaalsContact CA-OG 3.25Å; G153-S315 WeakPolarHBondContact CA-OG 3.48Å; G153-S315 PolarHBondContact N-OG 3.01Å; G153-S315 VanDerWaalsContact N-OG 3.11Å
154S98.8Very high98.5Very high42 Ų4219.1 Ų19.129%0.29411%0.113SC..Hα-helixtrans-55.5-45.5173.7-57.10000112G152 S156 N157 M158G152-S154 VanDerWaalsContact C-N 3.29Å; G152-S154 PolarHBondContact O-N 2.88Å; S154-S156 VanDerWaalsContact C-N 3.35Å; S154-N157 PolarHBondContact O-N 2.79Å; S154-M158 VanDerWaalsContact O-CG 3.3Å; S154-M158 WeakPolarHBondContact O-CG 3.43Å; S154-M158 PolarHBondContact O-N 3.09Å; S154-M158 VanDerWaalsContact O-N 3.07Å
155T98.7Very high98.6Very high35 Ų3514.3 Ų14.322%0.2159%0.089CC..Hα-helixtrans-67.9-36.9176-52.40000111C150 P151 G152 G153 N157 M158 Y159C150-T155 HydrophobicContact CB-CG2 4.26Å; P151-T155 HydrophobicContact CG-CG2 4.08Å; G152-T155 PolarHBondContact O-N 2.99Å; G153-T155 VanDerWaalsContact C-N 3.29Å; G153-T155 PolarHBondContact O-N 3.5Å; T155-N157 PolarHBondContact O-N 3.18Å; T155-M158 WeakPolarHBondContact O-CB 3.45Å; T155-M158 PolarHBondContact O-N 2.79Å; T155-M158 VanDerWaalsContact O-N 3.12Å; T155-Y159 HydrophobicContact CG2-CD2 3.77Å; T155-Y159 HydrophobicContact CG2-CE2 3.6Å; T155-Y159 VanDerWaalsContact O-CD2 3.27Å; T155-Y159 WeakPolarHBondContact O-CD2 3.49Å; T155-Y159 PolarHBondContact O-N 3.14Å
156S98.9Very high98.7Very high0 Ų015.3 Ų15.30%09%0.088CC..Hα-helixtrans-59.6-45.4175.5-50.30000111.5C150 G152 G153 S154 M158 Y159 A160 S315C150-S156 WeakPolarHBondContact CB-OG 3.43Å; G152-S156 PolarHBondContact O-N 3.4Å; G152-S156 VanDerWaalsContact O-N 3.14Å; G152-S156 PolarHBondContact O-OG 3.32Å; G153-S156 WeakPolarHBondContact O-CA 3.3Å; G153-S156 WeakPolarHBondContact O-CB 3.44Å; G153-S156 PolarHBondContact O-N 2.87Å; S154-S156 VanDerWaalsContact C-N 3.35Å; S156-M158 VanDerWaalsContact C-N 3.3Å; S156-M158 PolarHBondContact O-N 3.04Å; S156-Y159 PolarHBondContact O-N 2.88Å; S156-A160 PolarHBondContact O-N 2.99Å; S156-S315 PolarHBondContact OG-OG 2.82Å
157N98.9Very high98.6Very high7 Ų721.5 Ų21.54%0.03711%0.11CC..Hα-helixtrans-64.1-36.7175.4-62.54.6000111.4G153 S154 T155 A160 M161 S194 H272 D274 A301G153-N157 PolarHBondContact O-N 3.03Å; G153-N157 PolarHBondContact O-OD1 3.19Å; S154-N157 PolarHBondContact O-N 2.79Å; T155-N157 PolarHBondContact O-N 3.18Å; N157-A160 PolarHBondContact O-N 2.89Å; N157-M161 PolarHBondContact O-N 2.81Å; N157-S194 PolarHBondContact ND2-OG 3.09Å; N157-H272 PolarHBondContact OD1-NE2 2.79Å; N157-D274 PolarHBondContact ND2-OD2 2.93Å; N157-A301 VanDerWaalsContact OD1-CB 3.23Å; N157-A301 WeakPolarHBondContact OD1-CB 3.41Å
158M98.9Very high98.6Very high40 Ų4025 Ų2520%0.19713%0.127CC..Hα-helixtrans-64.3-45175-72.7171.868.300111.7S154 T155 S156 A160 M161 N162 F201 M202S154-M158 VanDerWaalsContact O-CG 3.3Å; S154-M158 WeakPolarHBondContact O-CG 3.43Å; S154-M158 PolarHBondContact O-N 3.09Å; S154-M158 VanDerWaalsContact O-N 3.07Å; T155-M158 WeakPolarHBondContact O-CB 3.45Å; T155-M158 PolarHBondContact O-N 2.79Å; T155-M158 VanDerWaalsContact O-N 3.12Å; S156-M158 VanDerWaalsContact C-N 3.3Å; S156-M158 PolarHBondContact O-N 3.04Å; M158-A160 VanDerWaalsContact C-N 3.33Å; M158-A160 PolarHBondContact O-N 3.26Å; M158-M161 PolarHBondContact O-N 2.98Å; M158-N162 WeakPolarHBondContact O-CB 3.3Å; M158-N162 PolarHBondContact O-N 3.26Å; M158-F201 HydrophobicContact CE-CB 3.97Å; M158-F201 HydrophobicContact CE-CD1 3.16Å; M158-F201 HydrophobicContact CE-CE1 3.7Å; M158-F201 HydrophobicContact CE-CG 3.63Å; M158-M202 VanDerWaalsContact C-CE 3.42Å; M158-M202 HydrophobicContact CB-CE 3.41Å; M158-M202 VanDerWaalsContact CB-CE 3.41Å; M158-M202 HydrophobicContact CE-CE 4.31Å; M158-M202 HydrophobicContact CG-CE 3.86Å; M158-M202 WeakPolarHBondContact O-CE 3.35Å
159Y98.9Very high98.6Very high5 Ų527.1 Ų27.12%0.0214%0.135CC..Hα-helixtrans-59.1-45.4174.2-89.5-112.7000111.4L148 T155 S156 M161 N162 L163 L317 L326 H330 S354 V355L148-Y159 HydrophobicContact CD1-CD1 4.32Å; L148-Y159 HydrophobicContact CD1-CE1 3.65Å; L148-Y159 HydrophobicContact CD2-CD1 4.06Å; L148-Y159 HydrophobicContact CD2-CE1 4.06Å; L148-Y159 HydrophobicContact CG-CE1 4.47Å; T155-Y159 HydrophobicContact CG2-CD2 3.77Å; T155-Y159 HydrophobicContact CG2-CE2 3.6Å; T155-Y159 VanDerWaalsContact O-CD2 3.27Å; T155-Y159 WeakPolarHBondContact O-CD2 3.49Å; T155-Y159 PolarHBondContact O-N 3.14Å; S156-Y159 PolarHBondContact O-N 2.88Å; Y159-M161 VanDerWaalsContact C-N 3.31Å; Y159-M161 PolarHBondContact O-N 3.02Å; Y159-N162 PolarHBondContact O-N 2.91Å; Y159-L163 WeakPolarHBondContact O-CB 3.48Å; Y159-L163 WeakPolarHBondContact O-CD1 3.31Å; Y159-L163 WeakPolarHBondContact O-CG 3.35Å; Y159-L163 PolarHBondContact O-N 2.96Å; Y159-L317 VanDerWaalsContact CB-CD2 3.46Å; Y159-L317 HydrophobicContact CD1-CD2 4.39Å; Y159-L317 HydrophobicContact CG-CD2 4.31Å; Y159-L326 HydrophobicContact CD1-CD2 4.09Å; Y159-H330 AromaticContact CD1-CE1 3.3Å; Y159-H330 WeakPolarHBondContact CD1-CE1 3.44Å; Y159-H330 AromaticContact CD1-ND1 3.89Å; Y159-H330 AromaticContact CE1-CE1 3.52Å; Y159-H330 AromaticContact CE1-ND1 3.66Å; Y159-S354 VanDerWaalsContact OH-CA 3.3Å; Y159-S354 WeakPolarHBondContact OH-CA 3.2Å; Y159-S354 PolarHBondContact OH-OG 3.13Å; Y159-S354 VanDerWaalsContact OH-OG 3.12Å; Y159-V355 HydrophobicContact CE1-CG1 4.44Å; Y159-V355 HydrophobicContact CE2-CG2 3.73Å; Y159-V355 WeakPolarHBondContact OH-CG2 3.49Å; Y159-V355 PolarHBondContact OH-N 3.13Å
160A98.9Very high98.5Very high0 Ų030 Ų300%015%0.154CC..Hα-helixtrans-56.3-45.417700000112.1S156 N157 M158 L163 A164 H272 S299 L317S156-A160 PolarHBondContact O-N 2.99Å; N157-A160 PolarHBondContact O-N 2.89Å; M158-A160 VanDerWaalsContact C-N 3.33Å; M158-A160 PolarHBondContact O-N 3.26Å; A160-L163 PolarHBondContact O-N 2.83Å; A160-A164 WeakPolarHBondContact O-CB 3.44Å; A160-A164 PolarHBondContact O-N 2.86Å; A160-H272 HydrophobicContact CB-CB 4.35Å; A160-H272 WeakPolarHBondContact CB-ND1 3.16Å; A160-S299 WeakPolarHBondContact CB-OG 3.3Å; A160-L317 HydrophobicContact CB-CD1 4.06Å
161M98.8Very high98.4Very high7 Ų733.3 Ų33.33%0.03417%0.169CC..Hα-helixtrans-65-41.8176.9-173.5-176.5-6400112.7N157 M158 Y159 A164 R165 V185 V195 A199 M202 F204 F240 L241N157-M161 PolarHBondContact O-N 2.81Å; M158-M161 PolarHBondContact O-N 2.98Å; Y159-M161 VanDerWaalsContact C-N 3.31Å; Y159-M161 PolarHBondContact O-N 3.02Å; M161-A164 PolarHBondContact O-N 2.91Å; M161-R165 PolarHBondContact O-N 3.4Å; M161-R165 VanDerWaalsContact O-N 3.07Å; M161-V185 HydrophobicContact CE-CG1 4.23Å; M161-V185 HydrophobicContact CE-CG2 4.1Å; M161-V185 HydrophobicContact CG-CG2 4.49Å; M161-V185 HydrophobicContact SD-CG2 4.32Å; M161-V195 HydrophobicContact CE-CG1 3.96Å; M161-A199 HydrophobicContact CE-CB 4.48Å; M161-A199 HydrophobicContact SD-CB 4.36Å; M161-M202 HydrophobicContact CB-CE 4.21Å; M161-M202 HydrophobicContact CB-SD 4.28Å; M161-M202 HydrophobicContact CG-SD 4.13Å; M161-M202 HydrophobicContact SD-CE 4.5Å; M161-M202 HydrophobicContact SD-SD 4.15Å; M161-F204 HydrophobicContact CG-CE2 3.83Å; M161-F204 HydrophobicContact CG-CZ 4.31Å; M161-F204 HydrophobicContact SD-CD2 3.91Å; M161-F204 HydrophobicContact SD-CE2 3.59Å; M161-F204 VanDerWaalsContact SD-CE2 3.59Å; M161-F240 HydrophobicContact CG-CE2 4.34Å; M161-F240 HydrophobicContact CG-CZ 3.98Å; M161-L241 HydrophobicContact CB-CD1 4.16Å; M161-L241 HydrophobicContact CG-CD1 4.45Å
162N98.9Very high98.4Very high27 Ų2732 Ų3214%0.14416%0.16CC..Hα-helixtrans-64.8-41.8176.9-171.245.5000111.9M158 Y159 R165 Y166 M202 C329 H330M158-N162 WeakPolarHBondContact O-CB 3.3Å; M158-N162 PolarHBondContact O-N 3.26Å; Y159-N162 PolarHBondContact O-N 2.91Å; N162-R165 PolarHBondContact O-N 3.37Å; N162-R165 PolarHBondContact OD1-NH2 3.21Å; N162-Y166 WeakPolarHBondContact O-CB 3.45Å; N162-Y166 PolarHBondContact O-N 3.39Å; N162-M202 HydrophobicContact CB-CE 4.24Å; N162-M202 HydrophobicContact CB-SD 4.04Å; N162-C329 PolarHBondContact ND2-SG 3.37Å; N162-C329 VanDerWaalsContact ND2-SG 3.35Å; N162-H330 PolarHBondContact ND2-CD2 3.15Å; N162-H330 PolarHBondContact ND2-NE2 3.31Å
163L98.9Very high98.3Very high0 Ų036.5 Ų36.50%018%0.178CC..Hα-helixtrans-66.1-42.3178.1-70.1162.7000112Y159 A160 R165 Y166 R167 W270 L317 L319 L325 L326 C329Y159-L163 WeakPolarHBondContact O-CB 3.48Å; Y159-L163 WeakPolarHBondContact O-CD1 3.31Å; Y159-L163 WeakPolarHBondContact O-CG 3.35Å; Y159-L163 PolarHBondContact O-N 2.96Å; A160-L163 PolarHBondContact O-N 2.83Å; L163-R165 VanDerWaalsContact C-N 3.31Å; L163-R165 PolarHBondContact O-N 2.87Å; L163-Y166 PolarHBondContact O-N 3.46Å; L163-R167 WeakPolarHBondContact O-CB 3.47Å; L163-R167 PolarHBondContact O-N 3.35Å; L163-W270 HydrophobicContact CB-CH2 4.32Å; L163-L317 HydrophobicContact CD1-CD2 3.77Å; L163-L319 HydrophobicContact CD1-CD1 3.75Å; L163-L319 HydrophobicContact CD1-CD2 3.95Å; L163-L319 HydrophobicContact CD1-CG 4.46Å; L163-L325 HydrophobicContact CB-CD2 4.35Å; L163-L325 HydrophobicContact CD2-CD2 4.27Å; L163-L325 HydrophobicContact CD2-CG 3.91Å; L163-L326 HydrophobicContact CD1-CD2 3.74Å; L163-L326 HydrophobicContact CD1-CG 4.36Å; L163-L326 HydrophobicContact CD2-CD2 3.95Å; L163-L326 HydrophobicContact CD2-CG 4.32Å; L163-L326 HydrophobicContact CG-CD2 4.35Å; L163-C329 HydrophobicContact CD2-CB 3.67Å
164A98.8Very high98.1Very high4 Ų441 Ų413%0.03321%0.208CC..Hα-helixtrans-60.1-43.2175.200000111.4A160 M161 L168 F240 L241 W270A160-A164 WeakPolarHBondContact O-CB 3.44Å; A160-A164 PolarHBondContact O-N 2.86Å; M161-A164 PolarHBondContact O-N 2.91Å; A164-L168 PolarHBondContact O-N 3.26Å; A164-F240 HydrophobicContact CB-CD2 3.82Å; A164-F240 HydrophobicContact CB-CE2 3.86Å; A164-L241 HydrophobicContact CB-CB 4.34Å; A164-L241 HydrophobicContact CB-CD1 3.7Å; A164-L241 HydrophobicContact CB-CG 4.49Å; A164-W270 HydrophobicContact CB-CB 3.6Å; A164-W270 HydrophobicContact CB-CD2 3.63Å; A164-W270 HydrophobicContact CB-CE3 3.98Å; A164-W270 HydrophobicContact CB-CG 3.45Å; A164-W270 VanDerWaalsContact CB-CG 3.45Å
165R98.6Very high98Very high30 Ų3044.7 Ų44.711%0.11322%0.221CC..Hα-helixtrans-62.7-50.2174.1-179-175.259.9-172.31.9111.6M161 N162 L163 R167 L168 Y169 V172 L183 M202 F204 F240M161-R165 PolarHBondContact O-N 3.4Å; M161-R165 VanDerWaalsContact O-N 3.07Å; N162-R165 PolarHBondContact O-N 3.37Å; N162-R165 PolarHBondContact OD1-NH2 3.21Å; L163-R165 VanDerWaalsContact C-N 3.31Å; L163-R165 PolarHBondContact O-N 2.87Å; R165-R167 VanDerWaalsContact C-N 3.29Å; R165-R167 PolarHBondContact O-N 2.65Å; R165-L168 PolarHBondContact O-N 3.4Å; R165-L168 VanDerWaalsContact O-N 3.13Å; R165-Y169 PolarHBondContact O-N 3.33Å; R165-V172 HydrophobicContact CG-CG1 4.1Å; R165-L183 HydrophobicContact CG-CD1 4.08Å; R165-M202 PolarHBondContact NH1-O 2.67Å; R165-F204 HydrophobicContact CB-CZ 4.1Å; R165-F204 VanDerWaalsContact CD-CZ 3.49Å; R165-F204 HydrophobicContact CG-CE1 4.27Å; R165-F204 HydrophobicContact CG-CZ 4.18Å; R165-F240 HydrophobicContact CB-CE2 4.03Å
166Y98.6Very high97.9Very high40 Ų4044.5 Ų44.516%0.15723%0.226CC..Hα-helixtrans-62.7-36.1-178.7178.9-97.6000112.4N162 L163 L168 Y169 P170 K173 L325 K328 C329N162-Y166 WeakPolarHBondContact O-CB 3.45Å; N162-Y166 PolarHBondContact O-N 3.39Å; L163-Y166 PolarHBondContact O-N 3.46Å; Y166-L168 VanDerWaalsContact C-N 3.31Å; Y166-L168 PolarHBondContact O-N 3.16Å; Y166-Y169 CarbonylContact O-C 3.38Å; Y166-P170 HydrophobicContact CD2-CB 4.27Å; Y166-P170 HydrophobicContact CE2-CB 3.87Å; Y166-P170 WeakPolarHBondContact CE2-O 3.31Å; Y166-P170 WeakPolarHBondContact O-CA 3.32Å; Y166-P170 WeakPolarHBondContact O-CD 3.48Å; Y166-K173 HydrophobicContact CD2-CB 4.09Å; Y166-K173 HydrophobicContact CD2-CD 4.46Å; Y166-K173 HydrophobicContact CE2-CB 3.94Å; Y166-K173 HydrophobicContact CE2-CD 3.84Å; Y166-K173 HydrophobicContact CE2-CG 4.48Å; Y166-L325 HydrophobicContact CD1-CD1 3.77Å; Y166-L325 HydrophobicContact CE1-CD1 4.13Å; Y166-K328 HydrophobicContact CE1-CB 3.93Å; Y166-K328 PolarHBondContact OH-O 3.28Å; Y166-C329 VanDerWaalsContact CB-SG 3.51Å; Y166-C329 HydrophobicContact CD1-CB 3.6Å; Y166-C329 HydrophobicContact CD2-CB 4.39Å; Y166-C329 HydrophobicContact CE1-CB 4.05Å; Y166-C329 HydrophobicContact CG-CB 3.8Å
167R98.2Very high97.7Very high149 Ų14946.8 Ų46.856%0.56224%0.237SC*.Hα-helixtrans-63.6-37.8174.6178.4173.7174.5-165.31.3112.1L163 R165 W270 N298 L325L163-R167 WeakPolarHBondContact O-CB 3.47Å; L163-R167 PolarHBondContact O-N 3.35Å; R165-R167 VanDerWaalsContact C-N 3.29Å; R165-R167 PolarHBondContact O-N 2.65Å; R167-W270 HydrophobicContact CB-CZ3 4.25Å; R167-W270 VanDerWaalsContact CD-CZ3 3.46Å; R167-N298 PolarHBondContact NH1-ND2 2.95Å; R167-L325 HydrophobicContact CB-CD1 4.38Å
168L97.9Very high97.4Very high79 Ų7958.2 Ų58.241%0.41428%0.28SS..Hα-helixtrans-80.2-41.8-179.5-173.461.4000112.2A164 R165 Y166 L183 V238 F240A164-L168 PolarHBondContact O-N 3.26Å; R165-L168 PolarHBondContact O-N 3.4Å; R165-L168 VanDerWaalsContact O-N 3.13Å; Y166-L168 VanDerWaalsContact C-N 3.31Å; Y166-L168 PolarHBondContact O-N 3.16Å; L168-L183 HydrophobicContact CD2-CD2 4.42Å; L168-V238 HydrophobicContact CD2-CG1 3.95Å; L168-F240 HydrophobicContact CD2-CB 3.58Å
169Y98Very high96.9Very high49 Ų4959.4 Ų59.419%0.19229%0.292CS..  trans-135.977.5-176.5-65.9-68.7000110.6R165 Y166 E171 V172 L180 L183 V238R165-Y169 PolarHBondContact O-N 3.33Å; Y166-Y169 CarbonylContact O-C 3.38Å; Y169-E171 VanDerWaalsContact CA-OE2 3.28Å; Y169-E171 WeakPolarHBondContact CA-OE2 3.33Å; Y169-E171 WeakPolarHBondContact CD1-OE1 3.15Å; Y169-E171 PolarHBondContact O-N 2.95Å; Y169-V172 VanDerWaalsContact O-CB 3.27Å; Y169-V172 WeakPolarHBondContact O-CB 3.37Å; Y169-V172 WeakPolarHBondContact O-CG1 2.88Å; Y169-V172 PolarHBondContact O-N 3.47Å; Y169-V172 VanDerWaalsContact O-N 3.09Å; Y169-L180 HydrophobicContact CD1-CD2 3.73Å; Y169-L180 HydrophobicContact CD2-CD1 3.91Å; Y169-L180 HydrophobicContact CD2-CD2 4.29Å; Y169-L180 HydrophobicContact CE1-CD2 4.35Å; Y169-L180 HydrophobicContact CG-CD1 3.89Å; Y169-L180 HydrophobicContact CG-CD2 3.69Å; Y169-L180 HydrophobicContact CG-CG 4.42Å; Y169-L183 HydrophobicContact CD2-CD1 4.39Å; Y169-L183 HydrophobicContact CD2-CD2 4.08Å; Y169-L183 HydrophobicContact CE2-CD2 3.63Å; Y169-V238 HydrophobicContact CE2-CG1 4.39Å
170P97.2Very high96.7Very high63 Ų6360.3 Ų60.341%0.40930%0.297SS..THydrogen-bonded Turntrans-61.7-28.2-177.424.4-34.5000113.6Y166 V172 K173Y166-P170 HydrophobicContact CD2-CB 4.27Å; Y166-P170 HydrophobicContact CE2-CB 3.87Å; Y166-P170 WeakPolarHBondContact CE2-O 3.31Å; Y166-P170 WeakPolarHBondContact O-CA 3.32Å; Y166-P170 WeakPolarHBondContact O-CD 3.48Å; P170-V172 PolarHBondContact O-N 3.34Å; P170-K173 WeakPolarHBondContact O-CB 3.45Å; P170-K173 PolarHBondContact O-N 3.48Å
171E96.1Very high96.6Very high69 Ų6962.9 Ų62.932%0.32231%0.314SS..THydrogen-bonded Turntrans-60.4-21.5175.169.8-85.8-151.200113.1Y169 K173 S174 Q175Y169-E171 VanDerWaalsContact CA-OE2 3.28Å; Y169-E171 WeakPolarHBondContact CA-OE2 3.33Å; Y169-E171 WeakPolarHBondContact CD1-OE1 3.15Å; Y169-E171 PolarHBondContact O-N 2.95Å; E171-K173 PolarHBondContact O-N 2.77Å; E171-K173 VanDerWaalsContact O-N 3.11Å; E171-S174 PolarHBondContact O-N 3.43Å; E171-S174 PolarHBondContact O-OG 3Å; E171-Q175 WeakPolarHBondContact O-CB 3.43Å; E171-Q175 PolarHBondContact O-N 3.45Å
172V96.9Very high96.5Very high10 Ų1068.1 Ų68.16%0.06134%0.338CS..Hα-helixtrans-57.6-29.1176.6800000112.2R165 Y169 P170 S174 G176 L177 L180R165-V172 HydrophobicContact CG-CG1 4.1Å; Y169-V172 VanDerWaalsContact O-CB 3.27Å; Y169-V172 WeakPolarHBondContact O-CB 3.37Å; Y169-V172 WeakPolarHBondContact O-CG1 2.88Å; Y169-V172 PolarHBondContact O-N 3.47Å; Y169-V172 VanDerWaalsContact O-N 3.09Å; P170-V172 PolarHBondContact O-N 3.34Å; V172-S174 PolarHBondContact O-N 3.31Å; V172-G176 WeakPolarHBondContact O-CA 3.47Å; V172-G176 PolarHBondContact O-N 3.06Å; V172-L177 HydrophobicContact CG2-CD2 3.89Å; V172-L177 HydrophobicContact CG2-CG 4.36Å; V172-L180 HydrophobicContact CB-CD1 3.95Å; V172-L180 HydrophobicContact CG2-CD1 3.67Å; V172-L180 HydrophobicContact CG2-CG 4.43Å
173K96.6Very high96.5Very high102 Ų10267.2 Ų67.244%0.44333%0.333SS..Hα-helixtrans-60.2-34.8180-173.7-179.9-178.9-177.20111.5Y166 P170 E171 K328 C329 C331Y166-K173 HydrophobicContact CD2-CB 4.09Å; Y166-K173 HydrophobicContact CD2-CD 4.46Å; Y166-K173 HydrophobicContact CE2-CB 3.94Å; Y166-K173 HydrophobicContact CE2-CD 3.84Å; Y166-K173 HydrophobicContact CE2-CG 4.48Å; P170-K173 WeakPolarHBondContact O-CB 3.45Å; P170-K173 PolarHBondContact O-N 3.48Å; E171-K173 PolarHBondContact O-N 2.77Å; E171-K173 VanDerWaalsContact O-N 3.11Å; K173-K328 PolarHBondContact NZ-O 2.97Å; K173-C329 WeakPolarHBondContact CD-O 3.36Å; K173-C329 WeakPolarHBondContact CE-O 3.17Å; K173-C329 PolarHBondContact NZ-O 3.18Å; K173-C331 WeakPolarHBondContact CE-O 3.39Å; K173-C331 PolarHBondContact NZ-O 2.87Å
174S95.5Very high96.5Very high102 Ų10267.3 Ų67.371%0.71333%0.334SS*.Hα-helixtrans-105.3-33.8-179.756.40000113.5E171 V172E171-S174 PolarHBondContact O-N 3.43Å; E171-S174 PolarHBondContact O-OG 3Å; V172-S174 PolarHBondContact O-N 3.31Å
175Q96.1Very high96.5Very high121 Ų12167.2 Ų67.257%0.56533%0.333SS*.Hα-helixtrans-96.1-14.3-173.3-58.2-177.610.500113.8E171 S179E171-Q175 WeakPolarHBondContact O-CB 3.43Å; E171-Q175 PolarHBondContact O-N 3.45Å; Q175-S179 PolarHBondContact OE1-OG 3.02Å
176G96.3Very high96.5Very high31 Ų3165.8 Ų65.832%0.3233%0.328SS..  trans73-178.4-175.300000113.5V172 R178 S179V172-G176 WeakPolarHBondContact O-CA 3.47Å; V172-G176 PolarHBondContact O-N 3.06Å; G176-R178 VanDerWaalsContact C-N 3.33Å; G176-R178 PolarHBondContact O-N 3.2Å; G176-S179 PolarHBondContact O-OG 2.95Å
177L95Very high96.5Very high47 Ų4764 Ų6425%0.24632%0.321CS..G310 helixtrans-73.4-20.3-175.3-77.2179.2000114.4V172 S179 L180 L183 M202 G203 F204V172-L177 HydrophobicContact CG2-CD2 3.89Å; V172-L177 HydrophobicContact CG2-CG 4.36Å; L177-S179 PolarHBondContact O-N 2.99Å; L177-S179 VanDerWaalsContact O-N 3.17Å; L177-L180 HydrophobicContact CD2-CD1 4.08Å; L177-L180 PolarHBondContact O-N 3.08Å; L177-L183 HydrophobicContact CD2-CD1 4.41Å; L177-M202 WeakPolarHBondContact CD1-O 3.34Å; L177-G203 VanDerWaalsContact CD1-O 3.25Å; L177-G203 WeakPolarHBondContact CD1-O 3.34Å; L177-F204 HydrophobicContact CD1-CD1 4.29Å; L177-F204 HydrophobicContact CD2-CD1 4.27Å; L177-F204 HydrophobicContact CD2-CE1 4.04Å
178R92.6Very high96.5Very high248 Ų24856.9 Ų56.994%0.93629%0.294SS*.G310 helixtrans-62.3-26.1-173.2-176.6175.8178.11750.6112.9G176 L180G176-R178 VanDerWaalsContact C-N 3.33Å; G176-R178 PolarHBondContact O-N 3.2Å; R178-L180 VanDerWaalsContact C-N 3.33Å
179S88Confident96.5Very high64 Ų6456.2 Ų56.245%0.44830%0.295SS..G310 helixtrans-85.3-3.4178.354.30000113.8Q175 G176 L177Q175-S179 PolarHBondContact OE1-OG 3.02Å; G176-S179 PolarHBondContact O-OG 2.95Å; L177-S179 PolarHBondContact O-N 2.99Å; L177-S179 VanDerWaalsContact O-N 3.17Å
180L94.9Very high96.5Very high24 Ų2455.3 Ų55.313%0.12629%0.292CS..SBendtrans-103155-175.7-58.3-168.9000112.3Y169 V172 L177 R178 L183Y169-L180 HydrophobicContact CD1-CD2 3.73Å; Y169-L180 HydrophobicContact CD2-CD1 3.91Å; Y169-L180 HydrophobicContact CD2-CD2 4.29Å; Y169-L180 HydrophobicContact CE1-CD2 4.35Å; Y169-L180 HydrophobicContact CG-CD1 3.89Å; Y169-L180 HydrophobicContact CG-CD2 3.69Å; Y169-L180 HydrophobicContact CG-CG 4.42Å; V172-L180 HydrophobicContact CB-CD1 3.95Å; V172-L180 HydrophobicContact CG2-CD1 3.67Å; V172-L180 HydrophobicContact CG2-CG 4.43Å; L177-L180 HydrophobicContact CD2-CD1 4.08Å; L177-L180 PolarHBondContact O-N 3.08Å; R178-L180 VanDerWaalsContact C-N 3.33Å; L180-L183 HydrophobicContact CD1-CD1 3.97Å
181P96Very high96.5Very high55 Ų5553.2 Ų53.236%0.35728%0.279SS..PPolyproline II helixtrans-63.7167.4165.229.6-35.4000111.1L183 V238P181-L183 PolarHBondContact O-N 2.98Å; P181-V238 HydrophobicContact CB-CG2 3.97Å; P181-V238 HydrophobicContact CG-CB 4.27Å; P181-V238 HydrophobicContact CG-CG2 3.59Å
182Q97.6Very high96.6Very high117 Ų11751.5 Ų51.555%0.54727%0.271SS..PPolyproline II helixtrans-62.5118.2174.4-178174.5-26.200110.2N208 A237 V238Q182-N208 VanDerWaalsContact CD-OD1 3.29Å; Q182-N208 WeakPolarHBondContact CG-OD1 3.27Å; Q182-N208 PolarHBondContact NE2-OD1 2.99Å; Q182-A237 HydrophobicContact CB-CB 4.34Å; Q182-A237 HydrophobicContact CG-CB 4.33Å; Q182-A237 CarbonylContact O-C 2.96Å; Q182-A237 WeakPolarHBondContact O-CA 3.32Å; Q182-A237 WeakPolarHBondContact O-CB 3.38Å; Q182-V238 PolarHBondContact O-N 3.26Å
183L98.6Very high96.7Very high7 Ų757.2 Ų57.24%0.03729%0.292CS..EExtended strand (participates in β ladder)trans-97.2132.7-179-63.4173000110.7R165 L168 Y169 L177 L180 P181 F204 N208 V238 F240R165-L183 HydrophobicContact CG-CD1 4.08Å; L168-L183 HydrophobicContact CD2-CD2 4.42Å; Y169-L183 HydrophobicContact CD2-CD1 4.39Å; Y169-L183 HydrophobicContact CD2-CD2 4.08Å; Y169-L183 HydrophobicContact CE2-CD2 3.63Å; L177-L183 HydrophobicContact CD2-CD1 4.41Å; L180-L183 HydrophobicContact CD1-CD1 3.97Å; P181-L183 PolarHBondContact O-N 2.98Å; L183-F204 HydrophobicContact CB-CD1 4.07Å; L183-F204 HydrophobicContact CB-CE1 4.13Å; L183-F204 HydrophobicContact CD1-CD1 4.31Å; L183-F204 HydrophobicContact CD1-CE1 3.72Å; L183-N208 WeakPolarHBondContact O-CB 3.37Å; L183-V238 WeakPolarHBondContact CA-O 3.22Å; L183-V238 HydrophobicContact CD2-CB 3.84Å; L183-V238 HydrophobicContact CD2-CG1 3.87Å; L183-F240 HydrophobicContact CB-CD1 3.75Å; L183-F240 HydrophobicContact CB-CE1 3.8Å; L183-F240 HydrophobicContact CD2-CD1 4.42Å; L183-F240 HydrophobicContact CG-CD1 4.5Å
184T98.8Very high96.8Very high3 Ų352.5 Ų52.52%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-115138.7-179.955.70000113F186 N208 I210 S232 A237 V238 P239 F240T184-F186 WeakPolarHBondContact OG1-CE2 3.46Å; T184-N208 WeakPolarHBondContact CA-O 3.39Å; T184-I210 HydrophobicContact CG2-CD1 4.47Å; T184-I210 HydrophobicContact CG2-CG1 4.27Å; T184-S232 WeakPolarHBondContact CG2-OG 3.47Å; T184-S232 PolarHBondContact OG1-OG 3.27Å; T184-A237 HydrophobicContact CG2-CB 3.84Å; T184-V238 PolarHBondContact N-O 3.17Å; T184-P239 WeakPolarHBondContact OG1-CA 3.49Å; T184-F240 WeakPolarHBondContact O-CD1 3.48Å; T184-F240 PolarHBondContact O-N 3.44Å
185V98.8Very high96.9Very high2 Ų247.7 Ų47.71%0.01224%0.239CC..EExtended strand (participates in β ladder)trans-110137.7175.4175.80000109.3M161 V195 N208 V209 I210 F240 L241M161-V185 HydrophobicContact CE-CG1 4.23Å; M161-V185 HydrophobicContact CE-CG2 4.1Å; M161-V185 HydrophobicContact CG-CG2 4.49Å; M161-V185 HydrophobicContact SD-CG2 4.32Å; V185-V195 HydrophobicContact CG1-CG1 3.89Å; V185-N208 PolarHBondContact N-O 3.48Å; V185-V209 CarbonylContact O-C 3.57Å; V185-V209 WeakPolarHBondContact O-CA 3.41Å; V185-I210 PolarHBondContact O-N 3.12Å; V185-F240 HydrophobicContact CG2-CD1 4.37Å; V185-F240 HydrophobicContact CG2-CE1 3.39Å; V185-F240 HydrophobicContact CG2-CZ 3.58Å; V185-L241 WeakPolarHBondContact CA-O 3.35Å; V185-L241 HydrophobicContact CG1-CD2 3.62Å; V185-L241 HydrophobicContact CG2-CB 4.48Å
186F98.9Very high97.1Very high0 Ų045.9 Ų45.90%023%0.229CC..EExtended strand (participates in β ladder)trans-111.1134.2178.3-57.6-95.8000110.3T184 I210 V212 L225 K228 I229 P239 L241 V242 S243T184-F186 WeakPolarHBondContact OG1-CE2 3.46Å; F186-I210 WeakPolarHBondContact CA-O 3.3Å; F186-I210 HydrophobicContact CD1-CB 3.75Å; F186-I210 HydrophobicContact CD1-CG1 4.38Å; F186-I210 HydrophobicContact CD1-CG2 4.01Å; F186-I210 HydrophobicContact CE1-CB 3.81Å; F186-I210 HydrophobicContact CE1-CG1 4Å; F186-I210 HydrophobicContact CE1-CG2 3.96Å; F186-I210 HydrophobicContact CZ-CG1 4.38Å; F186-V212 HydrophobicContact CB-CG2 4.1Å; F186-V212 HydrophobicContact CD1-CG2 4.45Å; F186-L225 HydrophobicContact CB-CD1 3.59Å; F186-L225 HydrophobicContact CD1-CD1 4.2Å; F186-L225 HydrophobicContact CG-CD1 3.96Å; F186-K228 HydrophobicContact CD1-CB 4.11Å; F186-K228 HydrophobicContact CE1-CB 3.88Å; F186-K228 WeakPolarHBondContact CE1-O 3.3Å; F186-I229 HydrophobicContact CD1-CG1 4.17Å; F186-I229 HydrophobicContact CD2-CG1 4.12Å; F186-I229 HydrophobicContact CE1-CG1 3.96Å; F186-I229 HydrophobicContact CE2-CG1 3.94Å; F186-I229 HydrophobicContact CG-CG1 4.25Å; F186-I229 HydrophobicContact CZ-CB 4.41Å; F186-I229 HydrophobicContact CZ-CG1 3.85Å; F186-P239 HydrophobicContact CE2-CB 3.62Å; F186-P239 HydrophobicContact CE2-CG 3.98Å; F186-P239 HydrophobicContact CZ-CB 4.17Å; F186-P239 HydrophobicContact CZ-CG 4Å; F186-L241 PolarHBondContact N-O 3.14Å; F186-V242 HydrophobicContact CB-CG1 4.49Å; F186-V242 HydrophobicContact CB-CG2 4.3Å; F186-V242 WeakPolarHBondContact O-CA 3.22Å; F186-S243 PolarHBondContact O-N 3.21Å
187T98.9Very high97.2Very high1 Ų150.5 Ų50.51%0.00624%0.24CC..EExtended strand (participates in β ladder)trans-154.5161.9179.7-165.10000111.4S191 V195 V209 I210 L211 V212 S243T187-S191 WeakPolarHBondContact CG2-OG 3.4Å; T187-S191 WeakPolarHBondContact OG1-CB 3.47Å; T187-S191 PolarHBondContact OG1-OG 2.93Å; T187-V195 HydrophobicContact CG2-CB 4.44Å; T187-V195 HydrophobicContact CG2-CG1 4.04Å; T187-V209 HydrophobicContact CG2-CG1 3.57Å; T187-I210 PolarHBondContact N-O 3.47Å; T187-I210 VanDerWaalsContact N-O 3.08Å; T187-L211 HydrophobicContact CG2-CD2 3.84Å; T187-L211 CarbonylContact O-C 3.54Å; T187-L211 VanDerWaalsContact O-CA 3.31Å; T187-L211 WeakPolarHBondContact O-CA 3.35Å; T187-V212 PolarHBondContact O-N 3.24Å; T187-S243 PolarHBondContact OG1-O 3.33Å
188S98.4Very high97.3Very high0 Ų048.3 Ų48.30%023%0.228CC..  trans-70.7146.1173.9165.70000111.1E190 S191 V214S188-E190 PolarHBondContact O-N 3.36Å; S188-E190 PolarHBondContact OG-N 3.49Å; S188-S191 WeakPolarHBondContact O-CB 3.42Å; S188-S191 PolarHBondContact O-N 3.17Å; S188-S191 PolarHBondContact O-OG 2.93Å; S188-V214 WeakPolarHBondContact OG-CG1 3.36Å
189P97.8Very high97.6Very high66 Ų6636.5 Ų36.543%0.42918%0.184SC..THydrogen-bonded Turntrans-58.3-22.4166.926.3-37.4000112.7L211 V212 V214P189-L211 HydrophobicContact CB-CD1 4.33Å; P189-V212 WeakPolarHBondContact CD-O 3.44Å; P189-V214 HydrophobicContact CG-CG1 3.91Å; P189-V214 HydrophobicContact CG-CG2 4.08Å
190E97.3Very high98.1Very high29 Ų2935.8 Ų35.814%0.13618%0.182CC..THydrogen-bonded Turntrans-93.10.6175.3-63.6-163.6-152.400114S188 G218 T248 Q251S188-E190 PolarHBondContact O-N 3.36Å; S188-E190 PolarHBondContact OG-N 3.49Å; E190-G218 WeakPolarHBondContact OE1-CA 3.43Å; E190-T248 HydrophobicContact CB-CG2 3.93Å; E190-Q251 PolarHBondContact OE1-NE2 3.02Å; E190-Q251 PolarHBondContact OE2-NE2 3.11Å
191S97.8Very high98.3Very high20 Ų2042.5 Ų42.514%0.1421%0.211CC..SBendtrans-62.4160.9172.568.50000111.4T187 S188 Y193 T245T187-S191 WeakPolarHBondContact CG2-OG 3.4Å; T187-S191 WeakPolarHBondContact OG1-CB 3.47Å; T187-S191 PolarHBondContact OG1-OG 2.93Å; S188-S191 WeakPolarHBondContact O-CB 3.42Å; S188-S191 PolarHBondContact O-N 3.17Å; S188-S191 PolarHBondContact O-OG 2.93Å; S191-Y193 PolarHBondContact O-N 3.11Å; S191-T245 WeakPolarHBondContact CA-OG1 3.46Å; S191-T245 VanDerWaalsContact CB-OG1 3.31Å; S191-T245 WeakPolarHBondContact CB-OG1 3.38Å
192H98.4Very high98.4Very high32 Ų3241.2 Ų41.215%0.14820%0.2CC..  trans-66137.4177.1-171.2-99.7000110.6S194 V195H192-S194 WeakPolarHBondContact ND1-CB 3.31Å; H192-S194 PolarHBondContact ND1-N 2.65Å; H192-S194 PolarHBondContact ND1-OG 3.49Å; H192-S194 PolarHBondContact O-N 3.45Å; H192-V195 PolarHBondContact O-N 2.99Å; H192-V195 VanDerWaalsContact O-N 3.15Å
193Y98.1Very high98.4Very high131 Ų13138.1 Ų38.151%0.51420%0.2SC..THydrogen-bonded Turntrans-58.9-11.2-178.365.2-96.4000114S191 V195 K196 K197S191-Y193 PolarHBondContact O-N 3.11Å; Y193-V195 PolarHBondContact O-N 3.15Å; Y193-K196 PolarHBondContact O-N 2.83Å; Y193-K197 HydrophobicContact CD2-CD 3.66Å; Y193-K197 VanDerWaalsContact CD2-CE 3.48Å; Y193-K197 HydrophobicContact CD2-CG 4.07Å; Y193-K197 HydrophobicContact CE2-CD 3.68Å; Y193-K197 VanDerWaalsContact CE2-CE 3.46Å; Y193-K197 PolarHBondContact O-N 3.47Å
194S98.8Very high98.4Very high2 Ų238.6 Ų38.61%0.01420%0.201CC..Hα-helixtrans-60.4-26.7174.554.40000113N157 H192 K197 G198N157-S194 PolarHBondContact ND2-OG 3.09Å; H192-S194 WeakPolarHBondContact ND1-CB 3.31Å; H192-S194 PolarHBondContact ND1-N 2.65Å; H192-S194 PolarHBondContact ND1-OG 3.49Å; H192-S194 PolarHBondContact O-N 3.45Å; S194-K197 PolarHBondContact O-N 2.88Å; S194-G198 PolarHBondContact O-N 3.23Å
195V98.6Very high98.3Very high2 Ų239.9 Ų39.91%0.01222%0.215CC..Hα-helixtrans-63-48.5175.5-1780000110.1M161 V185 T187 H192 Y193 G198 A199 V209M161-V195 HydrophobicContact CE-CG1 3.96Å; V185-V195 HydrophobicContact CG1-CG1 3.89Å; T187-V195 HydrophobicContact CG2-CB 4.44Å; T187-V195 HydrophobicContact CG2-CG1 4.04Å; H192-V195 PolarHBondContact O-N 2.99Å; H192-V195 VanDerWaalsContact O-N 3.15Å; Y193-V195 PolarHBondContact O-N 3.15Å; V195-G198 PolarHBondContact O-N 2.93Å; V195-A199 WeakPolarHBondContact O-CB 3.43Å; V195-A199 PolarHBondContact O-N 3.32Å; V195-V209 HydrophobicContact CG1-CG1 4Å
196K98.6Very high98.3Very high83 Ų8345 Ų4536%0.36124%0.24SC..Hα-helixtrans-64.3-43.7175.3-70.5-173175.4-1750112.5Y193 G198 A199 A200 M206 V209Y193-K196 PolarHBondContact O-N 2.83Å; K196-G198 VanDerWaalsContact C-N 3.34Å; K196-G198 PolarHBondContact O-N 3.46Å; K196-A199 PolarHBondContact O-N 3.16Å; K196-A200 PolarHBondContact O-N 2.98Å; K196-M206 HydrophobicContact CB-CG 4.39Å; K196-M206 HydrophobicContact CB-SD 4.36Å; K196-V209 HydrophobicContact CG-CB 4.26Å; K196-V209 HydrophobicContact CG-CG1 4.04Å; K196-V209 HydrophobicContact CG-CG2 4.45Å
197K98.8Very high98.3Very high128 Ų12852.2 Ų52.256%0.55728%0.279SS*.Hα-helixtrans-61.1-43.2175.7-72.9-169.9177.4-177.30111.9Y193 S194 A200 F201Y193-K197 HydrophobicContact CD2-CD 3.66Å; Y193-K197 VanDerWaalsContact CD2-CE 3.48Å; Y193-K197 HydrophobicContact CD2-CG 4.07Å; Y193-K197 HydrophobicContact CE2-CD 3.68Å; Y193-K197 VanDerWaalsContact CE2-CE 3.46Å; Y193-K197 PolarHBondContact O-N 3.47Å; S194-K197 PolarHBondContact O-N 2.88Å; K197-A200 PolarHBondContact O-N 3.22Å; K197-F201 VanDerWaalsContact O-CB 3.25Å; K197-F201 WeakPolarHBondContact O-CB 3.46Å; K197-F201 PolarHBondContact O-N 3.32Å
198G98.7Very high98.2Very high0 Ų053.2 Ų53.20%028%0.284CS..Hα-helixtrans-63.1-43.7177.100000111.8S194 V195 K196 A200 F201 M202S194-G198 PolarHBondContact O-N 3.23Å; V195-G198 PolarHBondContact O-N 2.93Å; K196-G198 VanDerWaalsContact C-N 3.34Å; K196-G198 PolarHBondContact O-N 3.46Å; G198-A200 PolarHBondContact O-N 2.81Å; G198-F201 PolarHBondContact O-N 2.9Å; G198-M202 WeakPolarHBondContact O-CB 3.17Å; G198-M202 WeakPolarHBondContact O-CG 3.37Å; G198-M202 PolarHBondContact O-N 2.86Å
199A98.6Very high98.3Very high0 Ų053.7 Ų53.70%029%0.287CS..Hα-helixtrans-60-46.2176.700000112.3M161 V195 K196 G203 F204 G205 V209M161-A199 HydrophobicContact CE-CB 4.48Å; M161-A199 HydrophobicContact SD-CB 4.36Å; V195-A199 WeakPolarHBondContact O-CB 3.43Å; V195-A199 PolarHBondContact O-N 3.32Å; K196-A199 PolarHBondContact O-N 3.16Å; A199-G203 PolarHBondContact O-N 2.96Å; A199-F204 HydrophobicContact CB-CB 4.38Å; A199-F204 WeakPolarHBondContact O-CB 3.38Å; A199-F204 PolarHBondContact O-N 3.47Å; A199-G205 PolarHBondContact O-N 3.21Å; A199-V209 HydrophobicContact CB-CG2 3.24Å
200A98.7Very high98.3Very high50 Ų5052.8 Ų52.841%0.41328%0.278SS..Hα-helixtrans-62.4-48.9174.900000111.8K196 K197 G198 M202 G203 M206K196-A200 PolarHBondContact O-N 2.98Å; K197-A200 PolarHBondContact O-N 3.22Å; G198-A200 PolarHBondContact O-N 2.81Å; A200-M202 VanDerWaalsContact C-N 3.3Å; A200-M202 PolarHBondContact O-N 3.36Å; A200-G203 PolarHBondContact O-N 3.41Å; A200-G203 VanDerWaalsContact O-N 3.16Å; A200-M206 HydrophobicContact CB-CG 3.99Å
201F98.7Very high98.4Very high165 Ų16554.4 Ų54.472%0.72429%0.287SS*.Hα-helixtrans-61.8-36.1-177.3-174.4-94.6000112.9M158 K197 G198 G203M158-F201 HydrophobicContact CE-CB 3.97Å; M158-F201 HydrophobicContact CE-CD1 3.16Å; M158-F201 HydrophobicContact CE-CE1 3.7Å; M158-F201 HydrophobicContact CE-CG 3.63Å; K197-F201 VanDerWaalsContact O-CB 3.25Å; K197-F201 WeakPolarHBondContact O-CB 3.46Å; K197-F201 PolarHBondContact O-N 3.32Å; G198-F201 PolarHBondContact O-N 2.9Å; F201-G203 VanDerWaalsContact C-N 3.31Å
202M97.6Very high98.4Very high28 Ų2853.5 Ų53.514%0.13828%0.281CS..THydrogen-bonded Turntrans-85.3-1.7-179.4-70.2-178.9-149.900114.3M158 M161 N162 R165 L177 G198 A200 F204M158-M202 VanDerWaalsContact C-CE 3.42Å; M158-M202 HydrophobicContact CB-CE 3.41Å; M158-M202 VanDerWaalsContact CB-CE 3.41Å; M158-M202 HydrophobicContact CE-CE 4.31Å; M158-M202 HydrophobicContact CG-CE 3.86Å; M158-M202 WeakPolarHBondContact O-CE 3.35Å; M161-M202 HydrophobicContact CB-CE 4.21Å; M161-M202 HydrophobicContact CB-SD 4.28Å; M161-M202 HydrophobicContact CG-SD 4.13Å; M161-M202 HydrophobicContact SD-CE 4.5Å; M161-M202 HydrophobicContact SD-SD 4.15Å; N162-M202 HydrophobicContact CB-CE 4.24Å; N162-M202 HydrophobicContact CB-SD 4.04Å; R165-M202 PolarHBondContact NH1-O 2.67Å; L177-M202 WeakPolarHBondContact CD1-O 3.34Å; G198-M202 WeakPolarHBondContact O-CB 3.17Å; G198-M202 WeakPolarHBondContact O-CG 3.37Å; G198-M202 PolarHBondContact O-N 2.86Å; A200-M202 VanDerWaalsContact C-N 3.3Å; A200-M202 PolarHBondContact O-N 3.36Å; M202-F204 HydrophobicContact CB-CD2 3.59Å; M202-F204 HydrophobicContact CB-CE2 3.42Å; M202-F204 VanDerWaalsContact CB-CE2 3.42Å; M202-F204 HydrophobicContact CB-CZ 4.42Å; M202-F204 HydrophobicContact CG-CE2 4.21Å; M202-F204 HydrophobicContact SD-CE2 3.74Å
203G97.8Very high98.4Very high52 Ų5257.7 Ų57.754%0.53630%0.299SS..THydrogen-bonded Turntrans86.112177.900000115.1L177 A199 A200 F201L177-G203 VanDerWaalsContact CD1-O 3.25Å; L177-G203 WeakPolarHBondContact CD1-O 3.34Å; A199-G203 PolarHBondContact O-N 2.96Å; A200-G203 PolarHBondContact O-N 3.41Å; A200-G203 VanDerWaalsContact O-N 3.16Å; F201-G203 VanDerWaalsContact C-N 3.31Å
204F97.6Very high98.5Very high16 Ų1653.2 Ų53.27%0.0729%0.285CS..SBendtrans-75.5-30.1172.6-54.8-77.2000111.8M161 R165 L177 L183 A199 M202 N208 F240M161-F204 HydrophobicContact CG-CE2 3.83Å; M161-F204 HydrophobicContact CG-CZ 4.31Å; M161-F204 HydrophobicContact SD-CD2 3.91Å; M161-F204 HydrophobicContact SD-CE2 3.59Å; M161-F204 VanDerWaalsContact SD-CE2 3.59Å; R165-F204 HydrophobicContact CB-CZ 4.1Å; R165-F204 VanDerWaalsContact CD-CZ 3.49Å; R165-F204 HydrophobicContact CG-CE1 4.27Å; R165-F204 HydrophobicContact CG-CZ 4.18Å; L177-F204 HydrophobicContact CD1-CD1 4.29Å; L177-F204 HydrophobicContact CD2-CD1 4.27Å; L177-F204 HydrophobicContact CD2-CE1 4.04Å; L183-F204 HydrophobicContact CB-CD1 4.07Å; L183-F204 HydrophobicContact CB-CE1 4.13Å; L183-F204 HydrophobicContact CD1-CD1 4.31Å; L183-F204 HydrophobicContact CD1-CE1 3.72Å; A199-F204 HydrophobicContact CB-CB 4.38Å; A199-F204 WeakPolarHBondContact O-CB 3.38Å; A199-F204 PolarHBondContact O-N 3.47Å; M202-F204 HydrophobicContact CB-CD2 3.59Å; M202-F204 HydrophobicContact CB-CE2 3.42Å; M202-F204 VanDerWaalsContact CB-CE2 3.42Å; M202-F204 HydrophobicContact CB-CZ 4.42Å; M202-F204 HydrophobicContact CG-CE2 4.21Å; M202-F204 HydrophobicContact SD-CE2 3.74Å; F204-N208 PolarHBondContact O-ND2 3.26Å; F204-F240 HydrophobicContact CE1-CE1 4.16Å; F204-F240 AromaticContact CE1-CZ 3.95Å; F204-F240 HydrophobicContact CE1-CZ 3.95Å; F204-F240 HydrophobicContact CE2-CZ 4.41Å; F204-F240 HydrophobicContact CZ-CE1 4.4Å; F204-F240 HydrophobicContact CZ-CE2 4.47Å; F204-F240 AromaticContact CZ-CZ 3.74Å; F204-F240 HydrophobicContact CZ-CZ 3.74Å
205G98Very high98.3Very high30 Ų3055.3 Ų55.331%0.30930%0.296SS..  trans83149.9-171.800000112.6A199 D207 N208A199-G205 PolarHBondContact O-N 3.21Å; G205-D207 VanDerWaalsContact C-N 3.31Å; G205-D207 PolarHBondContact O-N 3.32Å; G205-N208 PolarHBondContact O-N 3.45Å
206M98.3Very high98Very high110 Ų11062.7 Ų62.754%0.54234%0.336SS..G310 helixtrans-71.9-26.3-176.3-66.9-171.9-67.800113K196 A200 N208 V209K196-M206 HydrophobicContact CB-CG 4.39Å; K196-M206 HydrophobicContact CB-SD 4.36Å; A200-M206 HydrophobicContact CB-CG 3.99Å; M206-N208 PolarHBondContact O-N 2.98Å; M206-V209 WeakPolarHBondContact O-CB 3.49Å; M206-V209 PolarHBondContact O-N 3.45Å
207D98.3Very high97.7Very high151 Ų15160.2 Ų60.281%0.80733%0.334SS*.G310 helixtrans-65.9-20.1178.8-58.2-22.7000112.2G205 V209G205-D207 VanDerWaalsContact C-N 3.31Å; G205-D207 PolarHBondContact O-N 3.32Å; D207-V209 VanDerWaalsContact C-N 3.28Å
208N98.4Very high97.5Very high23 Ų2354.1 Ų54.112%0.12331%0.307CS..G310 helixtrans-86.23.4174.6-73.6-52.9000113.8Q182 L183 T184 V185 F204 G205 M206Q182-N208 VanDerWaalsContact CD-OD1 3.29Å; Q182-N208 WeakPolarHBondContact CG-OD1 3.27Å; Q182-N208 PolarHBondContact NE2-OD1 2.99Å; L183-N208 WeakPolarHBondContact O-CB 3.37Å; T184-N208 WeakPolarHBondContact CA-O 3.39Å; V185-N208 PolarHBondContact N-O 3.48Å; F204-N208 PolarHBondContact O-ND2 3.26Å; G205-N208 PolarHBondContact O-N 3.45Å; M206-N208 PolarHBondContact O-N 2.98Å
209V98.8Very high97.5Very high9 Ų959 Ų596%0.05533%0.326CS..EExtended strand (participates in β ladder)trans-97.895169.7-175.70000108.7V185 T187 V195 K196 A199 M206 D207 L211V185-V209 CarbonylContact O-C 3.57Å; V185-V209 WeakPolarHBondContact O-CA 3.41Å; T187-V209 HydrophobicContact CG2-CG1 3.57Å; V195-V209 HydrophobicContact CG1-CG1 4Å; K196-V209 HydrophobicContact CG-CB 4.26Å; K196-V209 HydrophobicContact CG-CG1 4.04Å; K196-V209 HydrophobicContact CG-CG2 4.45Å; A199-V209 HydrophobicContact CB-CG2 3.24Å; M206-V209 WeakPolarHBondContact O-CB 3.49Å; M206-V209 PolarHBondContact O-N 3.45Å; D207-V209 VanDerWaalsContact C-N 3.28Å; V209-L211 PolarHBondContact O-N 2.89Å
210I98.9Very high97.5Very high47 Ų4759.2 Ų59.224%0.24133%0.326CS..EExtended strand (participates in β ladder)trans-80117.8-177.4-47.9-54.1000109T184 V185 F186 T187 K228T184-I210 HydrophobicContact CG2-CD1 4.47Å; T184-I210 HydrophobicContact CG2-CG1 4.27Å; V185-I210 PolarHBondContact O-N 3.12Å; F186-I210 WeakPolarHBondContact CA-O 3.3Å; F186-I210 HydrophobicContact CD1-CB 3.75Å; F186-I210 HydrophobicContact CD1-CG1 4.38Å; F186-I210 HydrophobicContact CD1-CG2 4.01Å; F186-I210 HydrophobicContact CE1-CB 3.81Å; F186-I210 HydrophobicContact CE1-CG1 4Å; F186-I210 HydrophobicContact CE1-CG2 3.96Å; F186-I210 HydrophobicContact CZ-CG1 4.38Å; T187-I210 PolarHBondContact N-O 3.47Å; T187-I210 VanDerWaalsContact N-O 3.08Å; I210-K228 HydrophobicContact CG2-CB 4.2Å; I210-K228 HydrophobicContact CG2-CD 3.93Å; I210-K228 HydrophobicContact CG2-CG 4.23Å
211L98.8Very high97.5Very high63 Ų6359.2 Ų59.233%0.3332%0.319SS..EExtended strand (participates in β ladder)trans-80.9123.7178.3-60.2-176.9000110.1T187 P189 V209 K228T187-L211 HydrophobicContact CG2-CD2 3.84Å; T187-L211 CarbonylContact O-C 3.54Å; T187-L211 VanDerWaalsContact O-CA 3.31Å; T187-L211 WeakPolarHBondContact O-CA 3.35Å; P189-L211 HydrophobicContact CB-CD1 4.33Å; V209-L211 PolarHBondContact O-N 2.89Å; L211-K228 VanDerWaalsContact O-CE 3.29Å; L211-K228 WeakPolarHBondContact O-CE 3.45Å; L211-K228 PolarHBondContact O-NZ 3.23Å
212V98.9Very high97.5Very high1 Ų152 Ų521%0.00629%0.289CS..PPolyproline II helixtrans-89.8140.2175.7-1780000109.7F186 T187 P189 M220 D224 L225 K228F186-V212 HydrophobicContact CB-CG2 4.1Å; F186-V212 HydrophobicContact CD1-CG2 4.45Å; T187-V212 PolarHBondContact O-N 3.24Å; P189-V212 WeakPolarHBondContact CD-O 3.44Å; V212-M220 HydrophobicContact CB-CG 3.89Å; V212-M220 HydrophobicContact CB-SD 4.15Å; V212-M220 HydrophobicContact CG1-CG 3.5Å; V212-M220 VanDerWaalsContact CG1-CG 3.5Å; V212-M220 HydrophobicContact CG1-SD 4.1Å; V212-M220 HydrophobicContact CG2-SD 4.29Å; V212-D224 HydrophobicContact CG1-CB 4.22Å; V212-D224 WeakPolarHBondContact CG1-OD2 3.43Å; V212-L225 HydrophobicContact CG1-CB 3.87Å; V212-L225 HydrophobicContact CG2-CB 4.23Å; V212-L225 HydrophobicContact CG2-CD1 3.71Å; V212-K228 HydrophobicContact CG2-CD 4.39Å
213K98.6Very high97.6Very high120 Ų12056.5 Ų56.552%0.52231%0.309SS..PPolyproline II helixtrans-59.5153.2179.2-68.6177.9-165.3135.10111.3I221 D224K213-I221 HydrophobicContact CB-CD1 4.06Å; K213-I221 PolarHBondContact O-N 2.87Å; K213-D224 HydrophobicContact CB-CB 4.18Å; K213-D224 HydrophobicContact CD-CB 4.49Å; K213-D224 WeakPolarHBondContact CD-OD1 3.25Å; K213-D224 WeakPolarHBondContact CE-OD1 3.42Å; K213-D224 WeakPolarHBondContact CG-OD1 3.35Å; K213-D224 PolarHBondContact N-OD2 2.84Å; K213-D224 IonicContact NZ-OD1 2.96Å; K213-D224 PolarHBondContact NZ-OD1 2.91Å
214V98.3Very high97.6Very high37 Ų3754.5 Ų54.522%0.22429%0.286CS..BIsolated β-bridgetrans-115.7154.8172.3-66.30000110.3S188 P189 R219S188-V214 WeakPolarHBondContact OG-CG1 3.36Å; P189-V214 HydrophobicContact CG-CG1 3.91Å; P189-V214 HydrophobicContact CG-CG2 4.08Å; V214-R219 CarbonylContact C-O 3.5Å; V214-R219 WeakPolarHBondContact CA-O 3.44Å; V214-R219 WeakPolarHBondContact CB-O 3.25Å
215D96Very high97.7Very high47 Ų4753.7 Ų53.725%0.25128%0.283SS..  trans-74.6177.6167.371.89.2000111.9G217 G218 R219 I221D215-G217 PolarHBondContact O-N 3.12Å; D215-G217 VanDerWaalsContact O-N 3.09Å; D215-G217 VanDerWaalsContact OD1-C 3.27Å; D215-G217 VanDerWaalsContact OD1-CA 3.26Å; D215-G217 WeakPolarHBondContact OD1-CA 3.42Å; D215-G217 PolarHBondContact OD1-N 3.21Å; D215-G218 PolarHBondContact O-N 3.36Å; D215-G218 PolarHBondContact OD1-N 2.88Å; D215-G218 VanDerWaalsContact OD1-N 3.08Å; D215-R219 PolarHBondContact N-O 3.43Å; D215-R219 WeakPolarHBondContact OD1-CB 3.02Å; D215-R219 PolarHBondContact OD1-N 2.83Å; D215-R219 IonicContact OD1-NE 3.86Å; D215-R219 IonicContact OD2-CZ 3.21Å; D215-R219 IonicContact OD2-NE 3.67Å; D215-R219 PolarHBondContact OD2-NE 3.25Å; D215-R219 IonicContact OD2-NH2 3.82Å; D215-R219 PolarHBondContact OD2-NH2 3.06Å; D215-I221 HydrophobicContact CB-CG1 4.43Å
216D91.7Very high97.7Very high157 Ų15754.1 Ų54.184%0.8428%0.278SS*.THydrogen-bonded Turntrans-60.7-20.6179.3-66.5-25.4000113.6G218D216-G218 VanDerWaalsContact C-N 3.34Å
217G91.9Very high97.8Very high31 Ų3154.9 Ų54.932%0.3228%0.28SS..THydrogen-bonded Turntrans-88.73.3175.300000114D215 A253D215-G217 PolarHBondContact O-N 3.12Å; D215-G217 VanDerWaalsContact O-N 3.09Å; D215-G217 VanDerWaalsContact OD1-C 3.27Å; D215-G217 VanDerWaalsContact OD1-CA 3.26Å; D215-G217 WeakPolarHBondContact OD1-CA 3.42Å; D215-G217 PolarHBondContact OD1-N 3.21Å; G217-A253 WeakPolarHBondContact O-CB 3.31Å
218G95.6Very high97.8Very high0 Ų049.8 Ų49.80%025%0.251CS..SBendtrans77.715.4179.200000114.7E190 D215 D216E190-G218 WeakPolarHBondContact OE1-CA 3.43Å; D215-G218 PolarHBondContact O-N 3.36Å; D215-G218 PolarHBondContact OD1-N 2.88Å; D215-G218 VanDerWaalsContact OD1-N 3.08Å; D216-G218 VanDerWaalsContact C-N 3.34Å
219R98.2Very high97.8Very high103 Ų10348.7 Ų48.739%0.38925%0.245SC..  trans-93.3136.6179.3-55.7178.5-71.2-173.94.5110.7V214 D215 I221 A253 F254V214-R219 CarbonylContact C-O 3.5Å; V214-R219 WeakPolarHBondContact CA-O 3.44Å; V214-R219 WeakPolarHBondContact CB-O 3.25Å; D215-R219 PolarHBondContact N-O 3.43Å; D215-R219 WeakPolarHBondContact OD1-CB 3.02Å; D215-R219 PolarHBondContact OD1-N 2.83Å; D215-R219 IonicContact OD1-NE 3.86Å; D215-R219 IonicContact OD2-CZ 3.21Å; D215-R219 IonicContact OD2-NE 3.67Å; D215-R219 PolarHBondContact OD2-NE 3.25Å; D215-R219 IonicContact OD2-NH2 3.82Å; D215-R219 PolarHBondContact OD2-NH2 3.06Å; R219-I221 PolarHBondContact O-N 3.07Å; R219-A253 HydrophobicContact CG-CB 4.26Å; R219-F254 WeakPolarHBondContact CD-O 3.23Å; R219-F254 VanDerWaalsContact CG-O 3.3Å; R219-F254 WeakPolarHBondContact CG-O 3.31Å
220M98.8Very high97.8Very high3 Ų352.3 Ų52.32%0.01526%0.262CS..BIsolated β-bridgetrans-55.8135.6176.4-174.1-177-58.300111.9V212 P222 L225 D255 P256 I260V212-M220 HydrophobicContact CB-CG 3.89Å; V212-M220 HydrophobicContact CB-SD 4.15Å; V212-M220 HydrophobicContact CG1-CG 3.5Å; V212-M220 VanDerWaalsContact CG1-CG 3.5Å; V212-M220 HydrophobicContact CG1-SD 4.1Å; V212-M220 HydrophobicContact CG2-SD 4.29Å; M220-P222 WeakPolarHBondContact O-CD 3.11Å; M220-L225 HydrophobicContact SD-CD2 4.21Å; M220-D255 HydrophobicContact CB-CB 4.29Å; M220-D255 VanDerWaalsContact CB-OD1 3.31Å; M220-D255 WeakPolarHBondContact CB-OD1 3.28Å; M220-D255 PolarHBondContact N-OD1 3.25Å; M220-P256 WeakPolarHBondContact O-CD 3.48Å; M220-P256 WeakPolarHBondContact O-CG 3.41Å; M220-I260 HydrophobicContact CB-CD1 4.1Å; M220-I260 HydrophobicContact CG-CD1 4.26Å; M220-I260 HydrophobicContact SD-CD1 3.78Å; M220-I260 HydrophobicContact SD-CG1 4.35Å
221I98.9Very high97.8Very high51 Ų5154.5 Ų54.526%0.26227%0.273SS..  trans-89.2112.2176.9-61.2175.9000109.1K213 D215 R219 E223 D224 L225K213-I221 HydrophobicContact CB-CD1 4.06Å; K213-I221 PolarHBondContact O-N 2.87Å; D215-I221 HydrophobicContact CB-CG1 4.43Å; R219-I221 PolarHBondContact O-N 3.07Å; I221-E223 VanDerWaalsContact C-N 3.3Å; I221-E223 HydrophobicContact CG2-CB 4.33Å; I221-E223 WeakPolarHBondContact CG2-OE2 3.42Å; I221-E223 PolarHBondContact O-N 3.44Å; I221-D224 HydrophobicContact CB-CB 4.27Å; I221-D224 HydrophobicContact CG2-CB 4.21Å; I221-D224 PolarHBondContact O-N 2.91Å; I221-L225 PolarHBondContact O-N 3.35Å
222P98.8Very high97.8Very high14 Ų1451.8 Ų51.89%0.09126%0.259CS..Hα-helixtrans-61.2-32.4-176.7-25.136.1000114.5M220 L225 D226 P256 L259 I260 V263M220-P222 WeakPolarHBondContact O-CD 3.11Å; P222-L225 WeakPolarHBondContact O-CB 3.43Å; P222-L225 PolarHBondContact O-N 3.12Å; P222-D226 PolarHBondContact O-N 3.18Å; P222-P256 HydrophobicContact CG-CG 3.85Å; P222-L259 HydrophobicContact CB-CB 4.23Å; P222-L259 HydrophobicContact CG-CB 3.73Å; P222-L259 HydrophobicContact CG-CD1 4.17Å; P222-I260 HydrophobicContact CG-CG1 4.25Å; P222-V263 HydrophobicContact CB-CG2 4.38Å
223E98.8Very high97.8Very high121 Ų12155.4 Ų55.457%0.56528%0.275SS*.Hα-helixtrans-66.3-43.4179.4-61.673.9-161.900111.1I221 L225 D226 E227I221-E223 VanDerWaalsContact C-N 3.3Å; I221-E223 HydrophobicContact CG2-CB 4.33Å; I221-E223 WeakPolarHBondContact CG2-OE2 3.42Å; I221-E223 PolarHBondContact O-N 3.44Å; E223-L225 VanDerWaalsContact C-N 3.28Å; E223-L225 PolarHBondContact O-N 3.25Å; E223-D226 PolarHBondContact O-N 3.43Å; E223-E227 WeakPolarHBondContact O-CG 3.36Å; E223-E227 PolarHBondContact O-N 3Å
224D98.9Very high97.8Very high10 Ų1054 Ų545%0.05328%0.281CS..Hα-helixtrans-69.3-28176.3-176.292.7000111.8V212 K213 I221 K228V212-D224 HydrophobicContact CG1-CB 4.22Å; V212-D224 WeakPolarHBondContact CG1-OD2 3.43Å; K213-D224 HydrophobicContact CB-CB 4.18Å; K213-D224 HydrophobicContact CD-CB 4.49Å; K213-D224 WeakPolarHBondContact CD-OD1 3.25Å; K213-D224 WeakPolarHBondContact CE-OD1 3.42Å; K213-D224 WeakPolarHBondContact CG-OD1 3.35Å; K213-D224 PolarHBondContact N-OD2 2.84Å; K213-D224 IonicContact NZ-OD1 2.96Å; K213-D224 PolarHBondContact NZ-OD1 2.91Å; I221-D224 HydrophobicContact CB-CB 4.27Å; I221-D224 HydrophobicContact CG2-CB 4.21Å; I221-D224 PolarHBondContact O-N 2.91Å; D224-K228 WeakPolarHBondContact O-CB 3.18Å; D224-K228 WeakPolarHBondContact O-CG 3.4Å; D224-K228 PolarHBondContact O-N 3.49Å; D224-K228 IonicContact OD1-NZ 3.41Å; D224-K228 WeakPolarHBondContact OD2-CD 3.25Å; D224-K228 WeakPolarHBondContact OD2-CE 3.21Å; D224-K228 IonicContact OD2-NZ 2.74Å; D224-K228 PolarHBondContact OD2-NZ 3.46Å
225L98.9Very high97.8Very high0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-63.6-50.1170.7173.266.5000110.8F186 V212 M220 I221 P222 E223 K228 I229 V242 I260 V263F186-L225 HydrophobicContact CB-CD1 3.59Å; F186-L225 HydrophobicContact CD1-CD1 4.2Å; F186-L225 HydrophobicContact CG-CD1 3.96Å; V212-L225 HydrophobicContact CG1-CB 3.87Å; V212-L225 HydrophobicContact CG2-CB 4.23Å; V212-L225 HydrophobicContact CG2-CD1 3.71Å; M220-L225 HydrophobicContact SD-CD2 4.21Å; I221-L225 PolarHBondContact O-N 3.35Å; P222-L225 WeakPolarHBondContact O-CB 3.43Å; P222-L225 PolarHBondContact O-N 3.12Å; E223-L225 VanDerWaalsContact C-N 3.28Å; E223-L225 PolarHBondContact O-N 3.25Å; L225-K228 PolarHBondContact O-N 3.21Å; L225-I229 HydrophobicContact CD1-CD1 3.75Å; L225-I229 HydrophobicContact CD1-CG1 4.19Å; L225-I229 HydrophobicContact CG-CD1 3.75Å; L225-I229 WeakPolarHBondContact O-CD1 3.21Å; L225-I229 VanDerWaalsContact O-CG1 3.27Å; L225-I229 WeakPolarHBondContact O-CG1 3.39Å; L225-I229 PolarHBondContact O-N 3.49Å; L225-V242 HydrophobicContact CD1-CG1 4.03Å; L225-V242 HydrophobicContact CD1-CG2 4.02Å; L225-V242 HydrophobicContact CD2-CG1 3.96Å; L225-V242 HydrophobicContact CD2-CG2 4.37Å; L225-I260 HydrophobicContact CD2-CB 4.41Å; L225-I260 HydrophobicContact CD2-CG1 4.36Å; L225-I260 HydrophobicContact CD2-CG2 3.59Å; L225-V263 HydrophobicContact CD2-CB 4.13Å; L225-V263 HydrophobicContact CD2-CG1 3.85Å; L225-V263 HydrophobicContact CG-CG1 3.95Å
226D98.9Very high97.8Very high38 Ų3859.4 Ų59.420%0.20332%0.317CS..Hα-helixtrans-58.2-48.4178.9-163.883.6000111P222 E223 K228 I229 E230 V263 K266 H267P222-D226 PolarHBondContact O-N 3.18Å; E223-D226 PolarHBondContact O-N 3.43Å; D226-K228 PolarHBondContact O-N 3.47Å; D226-I229 PolarHBondContact O-N 3.22Å; D226-E230 PolarHBondContact O-N 2.88Å; D226-V263 HydrophobicContact CB-CG1 4.18Å; D226-K266 WeakPolarHBondContact OD1-CD 3.47Å; D226-K266 IonicContact OD1-NZ 3.6Å; D226-K266 PolarHBondContact OD1-NZ 3.45Å; D226-K266 IonicContact OD2-NZ 2.86Å; D226-K266 PolarHBondContact OD2-NZ 3.29Å; D226-H267 IonicContact OD1-CD2 2.64Å; D226-H267 IonicContact OD1-CE1 2.7Å; D226-H267 IonicContact OD1-NE2 3.73Å; D226-H267 PolarHBondContact OD1-NE2 3.46Å
227E98.8Very high98.2Very high126 Ų12652.3 Ų52.359%0.58928%0.28SS*.Hα-helixtrans-57.9-44176.8-73.1177.9-177.300112.4E223 E230 L231E223-E227 WeakPolarHBondContact O-CG 3.36Å; E223-E227 PolarHBondContact O-N 3Å; E227-E230 PolarHBondContact O-N 3.01Å; E227-L231 WeakPolarHBondContact O-CB 3.47Å; E227-L231 PolarHBondContact O-N 3.23Å
228K98.9Very high98.5Very high44 Ų4452.7 Ų52.719%0.19128%0.276CS..Hα-helixtrans-70.7-32.9-180-81.1172.1172.1155.60113.2F186 I210 L211 V212 D224 L225 D226 S232F186-K228 HydrophobicContact CD1-CB 4.11Å; F186-K228 HydrophobicContact CE1-CB 3.88Å; F186-K228 WeakPolarHBondContact CE1-O 3.3Å; I210-K228 HydrophobicContact CG2-CB 4.2Å; I210-K228 HydrophobicContact CG2-CD 3.93Å; I210-K228 HydrophobicContact CG2-CG 4.23Å; L211-K228 VanDerWaalsContact O-CE 3.29Å; L211-K228 WeakPolarHBondContact O-CE 3.45Å; L211-K228 PolarHBondContact O-NZ 3.23Å; V212-K228 HydrophobicContact CG2-CD 4.39Å; D224-K228 WeakPolarHBondContact O-CB 3.18Å; D224-K228 WeakPolarHBondContact O-CG 3.4Å; D224-K228 PolarHBondContact O-N 3.49Å; D224-K228 IonicContact OD1-NZ 3.41Å; D224-K228 WeakPolarHBondContact OD2-CD 3.25Å; D224-K228 WeakPolarHBondContact OD2-CE 3.21Å; D224-K228 IonicContact OD2-NZ 2.74Å; D224-K228 PolarHBondContact OD2-NZ 3.46Å; L225-K228 PolarHBondContact O-N 3.21Å; D226-K228 PolarHBondContact O-N 3.47Å; K228-S232 WeakPolarHBondContact O-CB 3.26Å; K228-S232 PolarHBondContact O-N 3.01Å
229I98.9Very high98.6Very high0 Ų053.2 Ų53.20%028%0.28CS..Hα-helixtrans-64.5-47.6173.8-72.4162.4000109.8F186 L225 D226 S232 K233 P239 V242 V263 H267 L269F186-I229 HydrophobicContact CD1-CG1 4.17Å; F186-I229 HydrophobicContact CD2-CG1 4.12Å; F186-I229 HydrophobicContact CE1-CG1 3.96Å; F186-I229 HydrophobicContact CE2-CG1 3.94Å; F186-I229 HydrophobicContact CG-CG1 4.25Å; F186-I229 HydrophobicContact CZ-CB 4.41Å; F186-I229 HydrophobicContact CZ-CG1 3.85Å; L225-I229 HydrophobicContact CD1-CD1 3.75Å; L225-I229 HydrophobicContact CD1-CG1 4.19Å; L225-I229 HydrophobicContact CG-CD1 3.75Å; L225-I229 WeakPolarHBondContact O-CD1 3.21Å; L225-I229 VanDerWaalsContact O-CG1 3.27Å; L225-I229 WeakPolarHBondContact O-CG1 3.39Å; L225-I229 PolarHBondContact O-N 3.49Å; D226-I229 PolarHBondContact O-N 3.22Å; I229-S232 PolarHBondContact O-N 2.8Å; I229-K233 HydrophobicContact CG2-CD 4.5Å; I229-K233 WeakPolarHBondContact O-CG 3.2Å; I229-K233 PolarHBondContact O-N 3.08Å; I229-P239 HydrophobicContact CG2-CB 4.19Å; I229-P239 HydrophobicContact CG2-CG 4.06Å; I229-V242 HydrophobicContact CD1-CG2 4.5Å; I229-V263 HydrophobicContact CD1-CG1 3.72Å; I229-H267 HydrophobicContact CG2-CB 4.11Å; I229-L269 HydrophobicContact CD1-CD1 3.47Å; I229-L269 VanDerWaalsContact CD1-CD1 3.47Å; I229-L269 HydrophobicContact CG1-CD1 3.93Å; I229-L269 HydrophobicContact CG2-CD1 4.31Å
230E98.8Very high98.7Very high86 Ų8648.7 Ų48.740%0.40226%0.263SS..Hα-helixtrans-65.8-40178.6-71-57.1126.500112.1D226 E227 S232 K233 S234 H267D226-E230 PolarHBondContact O-N 2.88Å; E227-E230 PolarHBondContact O-N 3.01Å; E230-S232 PolarHBondContact O-N 2.87Å; E230-K233 PolarHBondContact O-N 2.97Å; E230-K233 IonicContact OE1-NZ 2.68Å; E230-K233 PolarHBondContact OE1-NZ 3.46Å; E230-S234 PolarHBondContact O-N 2.79Å; E230-H267 IonicContact OE1-CE1 2.85Å; E230-H267 PolarHBondContact OE1-CE1 3.15Å; E230-H267 IonicContact OE1-ND1 3.83Å; E230-H267 PolarHBondContact OE1-ND1 3.12Å; E230-H267 IonicContact OE1-NE2 2.65Å
231L98.8Very high98.7Very high93 Ų9348.6 Ų48.649%0.48726%0.263SS..Hα-helixtrans-59.5-47.1173-179.561.9000111.6E227 K233 S234 Q235E227-L231 WeakPolarHBondContact O-CB 3.47Å; E227-L231 PolarHBondContact O-N 3.23Å; L231-K233 VanDerWaalsContact C-N 3.34Å; L231-K233 PolarHBondContact O-N 3.38Å; L231-S234 PolarHBondContact O-N 2.99Å; L231-S234 VanDerWaalsContact O-N 3.15Å; L231-S234 PolarHBondContact O-OG 3.13Å; L231-Q235 WeakPolarHBondContact O-CG 3.14Å; L231-Q235 PolarHBondContact O-N 3.01Å; L231-Q235 VanDerWaalsContact O-N 3.13Å
232S98.6Very high98.7Very high5 Ų546.2 Ų46.24%0.03525%0.25CS..Hα-helixtrans-57.4-45.4177.6176.50000111.8T184 K228 I229 E230 S234 Q235 A237T184-S232 WeakPolarHBondContact CG2-OG 3.47Å; T184-S232 PolarHBondContact OG1-OG 3.27Å; K228-S232 WeakPolarHBondContact O-CB 3.26Å; K228-S232 PolarHBondContact O-N 3.01Å; I229-S232 PolarHBondContact O-N 2.8Å; E230-S232 PolarHBondContact O-N 2.87Å; S232-S234 PolarHBondContact O-N 3.13Å; S232-Q235 PolarHBondContact O-N 3.16Å; S232-A237 WeakPolarHBondContact O-CB 3.39Å; S232-A237 PolarHBondContact O-N 3.38Å; S232-A237 VanDerWaalsContact O-N 3.14Å; S232-A237 WeakPolarHBondContact OG-CB 3.37Å
233K98.6Very high98.7Very high77 Ų7745.6 Ų45.634%0.33525%0.246SC..Hα-helixtrans-62.2-42.2175.1-67.7173.8-167.9163.20112.5I229 E230 L231 Q235 G236 P239 H267I229-K233 HydrophobicContact CG2-CD 4.5Å; I229-K233 WeakPolarHBondContact O-CG 3.2Å; I229-K233 PolarHBondContact O-N 3.08Å; E230-K233 PolarHBondContact O-N 2.97Å; E230-K233 IonicContact OE1-NZ 2.68Å; E230-K233 PolarHBondContact OE1-NZ 3.46Å; L231-K233 VanDerWaalsContact C-N 3.34Å; L231-K233 PolarHBondContact O-N 3.38Å; K233-Q235 PolarHBondContact O-N 3.22Å; K233-G236 PolarHBondContact O-N 3.49Å; K233-P239 HydrophobicContact CG-CG 3.85Å; K233-H267 PolarHBondContact NZ-ND1 3.26Å
234S98.4Very high98.7Very high92 Ų9239.9 Ų39.964%0.64322%0.22SC*.Hα-helixtrans-62.5-2417979.10000112.8E230 L231 S232 G236E230-S234 PolarHBondContact O-N 2.79Å; L231-S234 PolarHBondContact O-N 2.99Å; L231-S234 VanDerWaalsContact O-N 3.15Å; L231-S234 PolarHBondContact O-OG 3.13Å; S232-S234 PolarHBondContact O-N 3.13Å; S234-G236 VanDerWaalsContact C-N 3.31Å
235Q97.9Very high98.7Very high140 Ų14039.6 Ų39.665%0.65422%0.218SC*.THydrogen-bonded Turntrans-88.25.2175.3-66.6175.3-14.400113.1L231 S232 K233 A237L231-Q235 WeakPolarHBondContact O-CG 3.14Å; L231-Q235 PolarHBondContact O-N 3.01Å; L231-Q235 VanDerWaalsContact O-N 3.13Å; S232-Q235 PolarHBondContact O-N 3.16Å; K233-Q235 PolarHBondContact O-N 3.22Å; Q235-A237 VanDerWaalsContact C-N 3.29Å; Q235-A237 PolarHBondContact O-N 3.43Å
236G97.6Very high98.7Very high57 Ų5739.6 Ų39.659%0.58822%0.218SC*.THydrogen-bonded Turntrans805.9179.500000114.5K233 S234K233-G236 PolarHBondContact O-N 3.49Å; S234-G236 VanDerWaalsContact C-N 3.31Å
237A98.3Very high98.6Very high8 Ų837.9 Ų37.97%0.06621%0.21CC..  trans-81.7161.6172.700000111.3Q182 T184 S232 Q235 P239Q182-A237 HydrophobicContact CB-CB 4.34Å; Q182-A237 HydrophobicContact CG-CB 4.33Å; Q182-A237 CarbonylContact O-C 2.96Å; Q182-A237 WeakPolarHBondContact O-CA 3.32Å; Q182-A237 WeakPolarHBondContact O-CB 3.38Å; T184-A237 HydrophobicContact CG2-CB 3.84Å; S232-A237 WeakPolarHBondContact O-CB 3.39Å; S232-A237 PolarHBondContact O-N 3.38Å; S232-A237 VanDerWaalsContact O-N 3.14Å; S232-A237 WeakPolarHBondContact OG-CB 3.37Å; Q235-A237 VanDerWaalsContact C-N 3.29Å; Q235-A237 PolarHBondContact O-N 3.43Å; A237-P239 WeakPolarHBondContact O-CD 3.37Å
238V98.6Very high98.6Very high38 Ų3831.9 Ų31.923%0.2318%0.182CC..EExtended strand (participates in β ladder)trans-114.1100.2-179.3175.50000109.2L168 Y169 P181 Q182 L183 T184 F240L168-V238 HydrophobicContact CD2-CG1 3.95Å; Y169-V238 HydrophobicContact CE2-CG1 4.39Å; P181-V238 HydrophobicContact CB-CG2 3.97Å; P181-V238 HydrophobicContact CG-CB 4.27Å; P181-V238 HydrophobicContact CG-CG2 3.59Å; Q182-V238 PolarHBondContact O-N 3.26Å; L183-V238 WeakPolarHBondContact CA-O 3.22Å; L183-V238 HydrophobicContact CD2-CB 3.84Å; L183-V238 HydrophobicContact CD2-CG1 3.87Å; T184-V238 PolarHBondContact N-O 3.17Å; V238-F240 PolarHBondContact O-N 3.26Å
239P98.8Very high98.6Very high12 Ų1231.7 Ų31.78%0.07818%0.184CC..EExtended strand (participates in β ladder)trans-54.3130.4164.1-31.140.5000111.3T184 F186 I229 K233 A237 L269T184-P239 WeakPolarHBondContact OG1-CA 3.49Å; F186-P239 HydrophobicContact CE2-CB 3.62Å; F186-P239 HydrophobicContact CE2-CG 3.98Å; F186-P239 HydrophobicContact CZ-CB 4.17Å; F186-P239 HydrophobicContact CZ-CG 4Å; I229-P239 HydrophobicContact CG2-CB 4.19Å; I229-P239 HydrophobicContact CG2-CG 4.06Å; K233-P239 HydrophobicContact CG-CG 3.85Å; A237-P239 WeakPolarHBondContact O-CD 3.37Å; P239-L269 HydrophobicContact CB-CD1 4.19Å; P239-L269 HydrophobicContact CB-CD2 3.69Å; P239-L269 VanDerWaalsContact O-CD2 3.22Å; P239-L269 WeakPolarHBondContact O-CD2 3.44Å
240F98.7Very high98.6Very high7 Ų733 Ų333%0.03119%0.192CC..EExtended strand (participates in β ladder)trans-135.7-23.8177.381.2-78.2000115M161 A164 R165 L168 L183 T184 V185 F204 V238 W270M161-F240 HydrophobicContact CG-CE2 4.34Å; M161-F240 HydrophobicContact CG-CZ 3.98Å; A164-F240 HydrophobicContact CB-CD2 3.82Å; A164-F240 HydrophobicContact CB-CE2 3.86Å; R165-F240 HydrophobicContact CB-CE2 4.03Å; L168-F240 HydrophobicContact CD2-CB 3.58Å; L183-F240 HydrophobicContact CB-CD1 3.75Å; L183-F240 HydrophobicContact CB-CE1 3.8Å; L183-F240 HydrophobicContact CD2-CD1 4.42Å; L183-F240 HydrophobicContact CG-CD1 4.5Å; T184-F240 WeakPolarHBondContact O-CD1 3.48Å; T184-F240 PolarHBondContact O-N 3.44Å; V185-F240 HydrophobicContact CG2-CD1 4.37Å; V185-F240 HydrophobicContact CG2-CE1 3.39Å; V185-F240 HydrophobicContact CG2-CZ 3.58Å; F204-F240 HydrophobicContact CE1-CE1 4.16Å; F204-F240 AromaticContact CE1-CZ 3.95Å; F204-F240 HydrophobicContact CE1-CZ 3.95Å; F204-F240 HydrophobicContact CE2-CZ 4.41Å; F204-F240 HydrophobicContact CZ-CE1 4.4Å; F204-F240 HydrophobicContact CZ-CE2 4.47Å; F204-F240 AromaticContact CZ-CZ 3.74Å; F204-F240 HydrophobicContact CZ-CZ 3.74Å; V238-F240 PolarHBondContact O-N 3.26Å; F240-W270 WeakPolarHBondContact O-CB 3.27Å; F240-W270 PolarHBondContact O-N 3.45Å
241L98.9Very high98.5Very high2 Ų230.1 Ų30.11%0.0118%0.179CC..EExtended strand (participates in β ladder)trans-141.4135.4-177.1-176.9152.4000111.9M161 A164 V185 F186 W270 H272M161-L241 HydrophobicContact CB-CD1 4.16Å; M161-L241 HydrophobicContact CG-CD1 4.45Å; A164-L241 HydrophobicContact CB-CB 4.34Å; A164-L241 HydrophobicContact CB-CD1 3.7Å; A164-L241 HydrophobicContact CB-CG 4.49Å; V185-L241 WeakPolarHBondContact CA-O 3.35Å; V185-L241 HydrophobicContact CG1-CD2 3.62Å; V185-L241 HydrophobicContact CG2-CB 4.48Å; F186-L241 PolarHBondContact N-O 3.14Å; L241-W270 WeakPolarHBondContact CA-O 3.25Å; L241-H272 HydrophobicContact CD1-CB 4.39Å
242V98.9Very high98.5Very high0 Ų025.7 Ų25.70%016%0.156CC..EExtended strand (participates in β ladder)trans-110123.7163-1750000108.4F186 L225 I229 I260 L269 W270 H272F186-V242 HydrophobicContact CB-CG1 4.49Å; F186-V242 HydrophobicContact CB-CG2 4.3Å; F186-V242 WeakPolarHBondContact O-CA 3.22Å; L225-V242 HydrophobicContact CD1-CG1 4.03Å; L225-V242 HydrophobicContact CD1-CG2 4.02Å; L225-V242 HydrophobicContact CD2-CG1 3.96Å; L225-V242 HydrophobicContact CD2-CG2 4.37Å; I229-V242 HydrophobicContact CD1-CG2 4.5Å; V242-I260 HydrophobicContact CG1-CG2 3.89Å; V242-L269 HydrophobicContact CG2-CB 4.38Å; V242-L269 HydrophobicContact CG2-CD1 3.78Å; V242-W270 PolarHBondContact N-O 3.07Å; V242-H272 PolarHBondContact O-N 3.12Å
243S98.9Very high98.5Very high2 Ų225.6 Ų25.61%0.01416%0.155CC..EExtended strand (participates in β ladder)trans-102.597.5175.6-172.20000109F186 T187F186-S243 PolarHBondContact O-N 3.21Å; T187-S243 PolarHBondContact OG1-O 3.33Å
244C98.8Very high98.5Very high0 Ų022.3 Ų22.30%014%0.141CC..EExtended strand (participates in β ladder)trans-78.5153.7171.2-61.80000110.3D255 L257 I260 L271 H272 V273 D274C244-D255 HydrophobicContact CB-CB 4.28Å; C244-L257 HydrophobicContact CB-CD2 3.59Å; C244-I260 WeakPolarHBondContact SG-CG2 3.07Å; C244-L271 HydrophobicContact CB-CD1 4.44Å; C244-L271 WeakPolarHBondContact SG-CD1 3.29Å; C244-H272 PolarHBondContact N-O 3.19Å; C244-V273 HydrophobicContact CB-CG2 4.44Å; C244-D274 PolarHBondContact O-N 3.02Å
245T98.9Very high98.5Very high4 Ų418 Ų183%0.02511%0.111CC..EExtended strand (participates in β ladder)trans-117.2126.4174.5-50.50000110.3S191 T248 D255S191-T245 WeakPolarHBondContact CA-OG1 3.46Å; S191-T245 VanDerWaalsContact CB-OG1 3.31Å; S191-T245 WeakPolarHBondContact CB-OG1 3.38Å; T245-T248 HydrophobicContact CG2-CG2 3.83Å; T245-D255 PolarHBondContact N-OD2 3.49Å; T245-D255 WeakPolarHBondContact O-CB 3.06Å; T245-D255 PolarHBondContact O-N 3.3Å
246S98.8Very high98.5Very high0 Ų013.2 Ų13.20%09%0.092CC..BIsolated β-bridgetrans-111.7101.3172.2-64.10000109.8V273 D274 G278 M291S246-V273 VanDerWaalsContact OG-CG1 3.27Å; S246-V273 WeakPolarHBondContact OG-CG1 3.48Å; S246-D274 PolarHBondContact N-O 2.89Å; S246-G278 WeakPolarHBondContact O-CA 3.04Å; S246-G278 PolarHBondContact O-N 2.97Å; S246-M291 WeakPolarHBondContact CB-SD 3.38Å; S246-M291 PolarHBondContact OG-SD 3.39Å
247G98.5Very high98.6Very high3 Ų310.6 Ų10.63%0.0316%0.064CC..SBendtrans85.878.5-169.300000111.2A253G247-A253 CarbonylContact C-O 3.46Å; G247-A253 WeakPolarHBondContact CA-O 3.39Å; G247-A253 PolarHBondContact N-O 3.46Å
248T98.8Very high98.6Very high0 Ų012 Ų120%07%0.07CC..  trans-59.3155.4175.365.30000111.8E190 T245 V250 G252 A253E190-T248 HydrophobicContact CB-CG2 3.93Å; T245-T248 HydrophobicContact CG2-CG2 3.83Å; T248-V250 VanDerWaalsContact C-N 3.32Å; T248-V250 PolarHBondContact O-N 3.35Å; T248-G252 VanDerWaalsContact O-CA 3.25Å; T248-G252 WeakPolarHBondContact O-CA 3.46Å; T248-G252 PolarHBondContact O-N 3.32Å; T248-G252 VanDerWaalsContact O-N 3.09Å; T248-G252 PolarHBondContact OG1-N 3.11Å; T248-G252 VanDerWaalsContact OG1-N 3.15Å; T248-A253 HydrophobicContact CG2-CB 3.94Å; T248-A253 PolarHBondContact N-O 3.29Å; T248-A253 PolarHBondContact OG1-N 3.31Å
249T98.1Very high98.6Very high40 Ų4014.6 Ų14.625%0.2458%0.082CC..THydrogen-bonded Turntrans-67.6-36.2-169.2-71.30000112.7Q94 N412 R467Q94-T249 VanDerWaalsContact NE2-CG2 3.35Å; Q94-T249 PolarHBondContact NE2-O 3.18Å; T249-N412 PolarHBondContact O-ND2 2.85Å; T249-N412 VanDerWaalsContact O-ND2 3.14Å; T249-R467 WeakPolarHBondContact O-CD 3.49Å; T249-R467 PolarHBondContact O-NH1 3.12Å
250V97.9Very high98.6Very high26 Ų2614 Ų1416%0.1588%0.079CC..THydrogen-bonded Turntrans-91.8-68.2-175.9-178.60000110T248 N412 C414 Q457 L459 F465 R467T248-V250 VanDerWaalsContact C-N 3.32Å; T248-V250 PolarHBondContact O-N 3.35Å; V250-N412 WeakPolarHBondContact O-CB 3.32Å; V250-N412 PolarHBondContact O-ND2 2.87Å; V250-C414 PolarHBondContact O-SG 3.41Å; V250-Q457 HydrophobicContact CG1-CG 4.21Å; V250-Q457 HydrophobicContact CG2-CG 4.24Å; V250-L459 HydrophobicContact CB-CD2 4.38Å; V250-L459 HydrophobicContact CG1-CD2 4.06Å; V250-F465 HydrophobicContact CG1-CE2 3.69Å; V250-F465 HydrophobicContact CG1-CZ 3.62Å; V250-R467 VanDerWaalsContact O-CD 3.28Å; V250-R467 WeakPolarHBondContact O-CD 3.18Å; V250-R467 WeakPolarHBondContact O-CG 3.17Å
251Q97.3Very high98.6Very high27 Ų2713.7 Ų13.713%0.1268%0.078CC..THydrogen-bonded Turntrans-81.1-17.5-173-59-164.998.600113.8E190 A253 L459E190-Q251 PolarHBondContact OE1-NE2 3.02Å; E190-Q251 PolarHBondContact OE2-NE2 3.11Å; Q251-A253 VanDerWaalsContact C-N 3.3Å; Q251-L459 HydrophobicContact CG-CD2 3.81Å
252G98.3Very high98.6Very high0 Ų017.6 Ų17.60%010%0.098CC..  trans70.828-174.300000112.7T248 F254 F410T248-G252 VanDerWaalsContact O-CA 3.25Å; T248-G252 WeakPolarHBondContact O-CA 3.46Å; T248-G252 PolarHBondContact O-N 3.32Å; T248-G252 VanDerWaalsContact O-N 3.09Å; T248-G252 PolarHBondContact OG1-N 3.11Å; T248-G252 VanDerWaalsContact OG1-N 3.15Å; G252-F254 WeakPolarHBondContact O-CD2 3.44Å; G252-F410 WeakPolarHBondContact O-CB 3.17Å
253A98.4Very high98.6Very high2 Ų218.3 Ų18.32%0.01710%0.103CC..  trans-72.2151.2-179.800000111.7G217 R219 G247 T248 Q251G217-A253 WeakPolarHBondContact O-CB 3.31Å; R219-A253 HydrophobicContact CG-CB 4.26Å; G247-A253 CarbonylContact C-O 3.46Å; G247-A253 WeakPolarHBondContact CA-O 3.39Å; G247-A253 PolarHBondContact N-O 3.46Å; T248-A253 HydrophobicContact CG2-CB 3.94Å; T248-A253 PolarHBondContact N-O 3.29Å; T248-A253 PolarHBondContact OG1-N 3.31Å; Q251-A253 VanDerWaalsContact C-N 3.3Å
254F98.9Very high98.6Very high8 Ų818.3 Ų18.34%0.03510%0.102CC..BIsolated β-bridgetrans-116.6117.7174.7-72.6-103.3000110.3R219 G252 V281 L290 M291 F410R219-F254 WeakPolarHBondContact CD-O 3.23Å; R219-F254 VanDerWaalsContact CG-O 3.3Å; R219-F254 WeakPolarHBondContact CG-O 3.31Å; G252-F254 WeakPolarHBondContact O-CD2 3.44Å; F254-V281 HydrophobicContact CE1-CG2 4.22Å; F254-V281 HydrophobicContact CZ-CG1 4.17Å; F254-V281 HydrophobicContact CZ-CG2 4.43Å; F254-L290 HydrophobicContact CD1-CB 3.81Å; F254-L290 VanDerWaalsContact CD1-O 3.32Å; F254-L290 WeakPolarHBondContact CD1-O 3.47Å; F254-L290 HydrophobicContact CD2-CB 4.21Å; F254-L290 HydrophobicContact CD2-CD1 4.31Å; F254-L290 HydrophobicContact CD2-CD2 4.31Å; F254-L290 HydrophobicContact CE1-CB 3.86Å; F254-L290 HydrophobicContact CE2-CB 4.24Å; F254-L290 HydrophobicContact CE2-CD1 3.83Å; F254-L290 HydrophobicContact CE2-CG 4.47Å; F254-L290 HydrophobicContact CG-CB 4Å; F254-L290 HydrophobicContact CZ-CB 4.09Å; F254-L290 HydrophobicContact CZ-CD1 4.02Å; F254-M291 HydrophobicContact CD1-SD 4.01Å; F254-M291 HydrophobicContact CE1-CG 4.41Å; F254-M291 HydrophobicContact CE1-SD 3.77Å; F254-F410 HydrophobicContact CE2-CB 3.92Å; F254-F410 HydrophobicContact CE2-CD1 4.04Å; F254-F410 HydrophobicContact CE2-CD2 4.42Å; F254-F410 AromaticContact CE2-CG 3.88Å; F254-F410 HydrophobicContact CE2-CG 3.88Å; F254-F410 HydrophobicContact CZ-CD1 4.1Å; F254-F410 HydrophobicContact CZ-CD2 4.47Å; F254-F410 HydrophobicContact CZ-CE1 4.33Å; F254-F410 HydrophobicContact CZ-CG 4.18Å
255D98.9Very high98.6Very high3 Ų323 Ų232%0.01613%0.128CC..  trans-61.5144.6174-72-21.2000111M220 C244 T245 L257 I260M220-D255 HydrophobicContact CB-CB 4.29Å; M220-D255 VanDerWaalsContact CB-OD1 3.31Å; M220-D255 WeakPolarHBondContact CB-OD1 3.28Å; M220-D255 PolarHBondContact N-OD1 3.25Å; C244-D255 HydrophobicContact CB-CB 4.28Å; T245-D255 PolarHBondContact N-OD2 3.49Å; T245-D255 WeakPolarHBondContact O-CB 3.06Å; T245-D255 PolarHBondContact O-N 3.3Å; D255-L257 VanDerWaalsContact C-N 3.33Å; D255-L257 HydrophobicContact CB-CD2 4.42Å; D255-L257 PolarHBondContact O-N 3.08Å; D255-I260 HydrophobicContact CB-CD1 3.82Å
256P98.7Very high98.6Very high39 Ų3929 Ų2925%0.25315%0.153SC..  trans-74.880.8-17831.4-36.8000111.7M220 P222 D258 L259 I260M220-P256 WeakPolarHBondContact O-CD 3.48Å; M220-P256 WeakPolarHBondContact O-CG 3.41Å; P222-P256 HydrophobicContact CG-CG 3.85Å; P256-D258 VanDerWaalsContact C-N 3.35Å; P256-D258 PolarHBondContact O-N 3.32Å; P256-L259 HydrophobicContact CB-CB 4.42Å; P256-L259 HydrophobicContact CB-CD1 4.14Å; P256-L259 HydrophobicContact CB-CG 4.43Å; P256-L259 PolarHBondContact O-N 2.82Å; P256-L259 VanDerWaalsContact O-N 3.12Å; P256-I260 HydrophobicContact CG-CD1 4.15Å; P256-I260 HydrophobicContact CG-CG1 4.39Å; P256-I260 PolarHBondContact O-N 3.1Å
257L98.9Very high98.6Very high2 Ų230 Ų301%0.0116%0.158CC..Hα-helixtrans-57.8-39.6-169.2-52.2180000114.1C244 D255 L259 I260 A261 V273 M291 K292 V294C244-L257 HydrophobicContact CB-CD2 3.59Å; D255-L257 VanDerWaalsContact C-N 3.33Å; D255-L257 HydrophobicContact CB-CD2 4.42Å; D255-L257 PolarHBondContact O-N 3.08Å; L257-L259 VanDerWaalsContact C-N 3.34Å; L257-L259 PolarHBondContact O-N 2.69Å; L257-I260 PolarHBondContact O-N 3.45Å; L257-A261 WeakPolarHBondContact O-CB 3.3Å; L257-A261 PolarHBondContact O-N 3.01Å; L257-V273 HydrophobicContact CD1-CG1 4.06Å; L257-V273 HydrophobicContact CD1-CG2 4.17Å; L257-V273 HydrophobicContact CD2-CG1 4.1Å; L257-V273 HydrophobicContact CD2-CG2 3.96Å; L257-M291 HydrophobicContact CD1-CE 4.36Å; L257-K292 WeakPolarHBondContact CB-O 2.9Å; L257-V294 HydrophobicContact CD1-CB 3.79Å; L257-V294 HydrophobicContact CD1-CG2 4.3Å
258D98.4Very high98.6Very high37 Ų3739.1 Ų39.120%0.19820%0.197CC..Hα-helixtrans-58.1-45.8177.6-90.4-19.1000111.9P256 A261 D262 K292 G293 R296P256-D258 VanDerWaalsContact C-N 3.35Å; P256-D258 PolarHBondContact O-N 3.32Å; D258-A261 PolarHBondContact O-N 3.01Å; D258-D262 PolarHBondContact O-N 3.21Å; D258-K292 VanDerWaalsContact OD2-CD 3.23Å; D258-K292 WeakPolarHBondContact OD2-CD 3.43Å; D258-K292 WeakPolarHBondContact OD2-CE 3.35Å; D258-K292 WeakPolarHBondContact OD2-CG 3.08Å; D258-K292 IonicContact OD2-NZ 2.68Å; D258-K292 PolarHBondContact OD2-NZ 2.92Å; D258-G293 WeakPolarHBondContact OD1-CA 3.21Å; D258-G293 PolarHBondContact OD1-N 2.8Å; D258-R296 PolarHBondContact O-NH1 3.33Å; D258-R296 VanDerWaalsContact O-NH1 3.11Å
259L98.8Very high98.6Very high92 Ų9239.7 Ų39.748%0.48220%0.2SC..Hα-helixtrans-72-39.9-178.4-59.4179.6000111.2P222 P256 L257 A261 D262 V263P222-L259 HydrophobicContact CB-CB 4.23Å; P222-L259 HydrophobicContact CG-CB 3.73Å; P222-L259 HydrophobicContact CG-CD1 4.17Å; P256-L259 HydrophobicContact CB-CB 4.42Å; P256-L259 HydrophobicContact CB-CD1 4.14Å; P256-L259 HydrophobicContact CB-CG 4.43Å; P256-L259 PolarHBondContact O-N 2.82Å; P256-L259 VanDerWaalsContact O-N 3.12Å; L257-L259 VanDerWaalsContact C-N 3.34Å; L257-L259 PolarHBondContact O-N 2.69Å; L259-A261 VanDerWaalsContact C-N 3.3Å; L259-A261 PolarHBondContact O-N 3.06Å; L259-D262 WeakPolarHBondContact O-CB 2.89Å; L259-D262 PolarHBondContact O-N 3.05Å; L259-V263 PolarHBondContact O-N 3.15Å
260I98.9Very high98.6Very high0 Ų038.4 Ų38.40%019%0.19CC..Hα-helixtrans-68-34.5177-64.1164.1000110.8M220 P222 L225 V242 C244 D255 P256 L257 D262 V263 C264 L271M220-I260 HydrophobicContact CB-CD1 4.1Å; M220-I260 HydrophobicContact CG-CD1 4.26Å; M220-I260 HydrophobicContact SD-CD1 3.78Å; M220-I260 HydrophobicContact SD-CG1 4.35Å; P222-I260 HydrophobicContact CG-CG1 4.25Å; L225-I260 HydrophobicContact CD2-CB 4.41Å; L225-I260 HydrophobicContact CD2-CG1 4.36Å; L225-I260 HydrophobicContact CD2-CG2 3.59Å; V242-I260 HydrophobicContact CG1-CG2 3.89Å; C244-I260 WeakPolarHBondContact SG-CG2 3.07Å; D255-I260 HydrophobicContact CB-CD1 3.82Å; P256-I260 HydrophobicContact CG-CD1 4.15Å; P256-I260 HydrophobicContact CG-CG1 4.39Å; P256-I260 PolarHBondContact O-N 3.1Å; L257-I260 PolarHBondContact O-N 3.45Å; I260-D262 VanDerWaalsContact C-N 3.31Å; I260-D262 PolarHBondContact O-N 3.46Å; I260-V263 PolarHBondContact O-N 2.94Å; I260-C264 PolarHBondContact O-N 2.68Å; I260-C264 PolarHBondContact O-SG 3.46Å; I260-L271 HydrophobicContact CG2-CD1 4.22Å
261A98.9Very high98.7Very high1 Ų137.3 Ų37.31%0.00818%0.184CC..Hα-helixtrans-62.4-37.4173.900000112.1L257 D258 L259 V263 C264 D265 L271 R296L257-A261 WeakPolarHBondContact O-CB 3.3Å; L257-A261 PolarHBondContact O-N 3.01Å; D258-A261 PolarHBondContact O-N 3.01Å; L259-A261 VanDerWaalsContact C-N 3.3Å; L259-A261 PolarHBondContact O-N 3.06Å; A261-V263 VanDerWaalsContact C-N 3.33Å; A261-V263 PolarHBondContact O-N 3.31Å; A261-C264 PolarHBondContact O-N 3.19Å; A261-D265 WeakPolarHBondContact O-CB 3.3Å; A261-D265 VanDerWaalsContact O-CG 3.31Å; A261-D265 PolarHBondContact O-N 3.45Å; A261-L271 HydrophobicContact CB-CD2 3.69Å; A261-R296 HydrophobicContact CB-CB 3.94Å; A261-R296 VanDerWaalsContact CB-CZ 3.45Å
262D98.9Very high98.8Very high83 Ų8336.1 Ų36.144%0.44418%0.178SC..Hα-helixtrans-61-41.9173.2-65.3-24.3000111.9D258 L259 I260 D265 K266 R296D258-D262 PolarHBondContact O-N 3.21Å; L259-D262 WeakPolarHBondContact O-CB 2.89Å; L259-D262 PolarHBondContact O-N 3.05Å; I260-D262 VanDerWaalsContact C-N 3.31Å; I260-D262 PolarHBondContact O-N 3.46Å; D262-D265 PolarHBondContact O-N 3.34Å; D262-K266 WeakPolarHBondContact O-CB 3.38Å; D262-K266 PolarHBondContact O-N 3.3Å; D262-R296 IonicContact OD1-CZ 2.74Å; D262-R296 IonicContact OD1-NH1 3.71Å; D262-R296 PolarHBondContact OD1-NH1 2.89Å; D262-R296 IonicContact OD1-NH2 2.7Å; D262-R296 PolarHBondContact OD1-NH2 3.21Å
263V98.9Very high98.8Very high15 Ų1536.1 Ų36.19%0.09118%0.178CC..Hα-helixtrans-65-42.3175179.90000111.1P222 L225 D226 I229 L259 I260 A261 K266 H267P222-V263 HydrophobicContact CB-CG2 4.38Å; L225-V263 HydrophobicContact CD2-CB 4.13Å; L225-V263 HydrophobicContact CD2-CG1 3.85Å; L225-V263 HydrophobicContact CG-CG1 3.95Å; D226-V263 HydrophobicContact CB-CG1 4.18Å; I229-V263 HydrophobicContact CD1-CG1 3.72Å; L259-V263 PolarHBondContact O-N 3.15Å; I260-V263 PolarHBondContact O-N 2.94Å; A261-V263 VanDerWaalsContact C-N 3.33Å; A261-V263 PolarHBondContact O-N 3.31Å; V263-K266 PolarHBondContact O-N 3.44Å; V263-H267 PolarHBondContact O-CD2 2.73Å; V263-H267 VanDerWaalsContact O-CD2 3.24Å; V263-H267 PolarHBondContact O-N 3.28Å; V263-H267 VanDerWaalsContact O-N 3.12Å
264C98.9Very high98.8Very high2 Ų236.4 Ų36.41%0.01418%0.179CC..Hα-helixtrans-64.7-41.4177.7-66.40000111.7I260 A261 H267 K268 L269 L271I260-C264 PolarHBondContact O-N 2.68Å; I260-C264 PolarHBondContact O-SG 3.46Å; A261-C264 PolarHBondContact O-N 3.19Å; C264-H267 CarbonylContact O-C 3.47Å; C264-H267 PolarHBondContact O-N 2.7Å; C264-K268 CarbonylContact O-C 3.5Å; C264-K268 WeakPolarHBondContact O-CA 3.33Å; C264-K268 PolarHBondContact O-N 3.24Å; C264-L269 HydrophobicContact CB-CB 4.39Å; C264-L269 PolarHBondContact O-N 3.27Å; C264-L271 HydrophobicContact CB-CB 4.28Å
265D98.8Very high98.8Very high100 Ų10036 Ų3654%0.53518%0.178SC..Hα-helixtrans-65.8-44.4177.4-74.2-21.9000111.3A261 D262 H267 K268 R296A261-D265 WeakPolarHBondContact O-CB 3.3Å; A261-D265 VanDerWaalsContact O-CG 3.31Å; A261-D265 PolarHBondContact O-N 3.45Å; D262-D265 PolarHBondContact O-N 3.34Å; D265-H267 PolarHBondContact O-N 3.06Å; D265-K268 PolarHBondContact O-N 3.42Å; D265-R296 IonicContact OD2-CZ 2.99Å; D265-R296 IonicContact OD2-NE 3.31Å; D265-R296 IonicContact OD2-NH2 2.88Å; D265-R296 PolarHBondContact OD2-NH2 3.15Å
266K98.7Very high98.8Very high128 Ų12836.1 Ų36.156%0.55718%0.179SC*.Hα-helixtrans-54.1-41.8174.4177-173171.9-1660111.8D226 D262 V263D226-K266 WeakPolarHBondContact OD1-CD 3.47Å; D226-K266 IonicContact OD1-NZ 3.6Å; D226-K266 PolarHBondContact OD1-NZ 3.45Å; D226-K266 IonicContact OD2-NZ 2.86Å; D226-K266 PolarHBondContact OD2-NZ 3.29Å; D262-K266 WeakPolarHBondContact O-CB 3.38Å; D262-K266 PolarHBondContact O-N 3.3Å; V263-K266 PolarHBondContact O-N 3.44Å
267H98.7Very high98.8Very high22 Ų2234.4 Ų34.410%0.10217%0.168CC..Hα-helixtrans-101.22-175.2-63.1-51.6000114.7D226 I229 E230 K233 V263 C264 D265 L269D226-H267 IonicContact OD1-CD2 2.64Å; D226-H267 IonicContact OD1-CE1 2.7Å; D226-H267 IonicContact OD1-NE2 3.73Å; D226-H267 PolarHBondContact OD1-NE2 3.46Å; I229-H267 HydrophobicContact CG2-CB 4.11Å; E230-H267 IonicContact OE1-CE1 2.85Å; E230-H267 PolarHBondContact OE1-CE1 3.15Å; E230-H267 IonicContact OE1-ND1 3.83Å; E230-H267 PolarHBondContact OE1-ND1 3.12Å; E230-H267 IonicContact OE1-NE2 2.65Å; K233-H267 PolarHBondContact NZ-ND1 3.26Å; V263-H267 PolarHBondContact O-CD2 2.73Å; V263-H267 VanDerWaalsContact O-CD2 3.24Å; V263-H267 PolarHBondContact O-N 3.28Å; V263-H267 VanDerWaalsContact O-N 3.12Å; C264-H267 CarbonylContact O-C 3.47Å; C264-H267 PolarHBondContact O-N 2.7Å; D265-H267 PolarHBondContact O-N 3.06Å; H267-L269 VanDerWaalsContact C-N 3.34Å; H267-L269 HydrophobicContact CB-CD1 4.01Å; H267-L269 HydrophobicContact CB-CD2 4.3Å; H267-L269 HydrophobicContact CB-CG 3.76Å; H267-L269 PolarHBondContact O-N 2.74Å
268K98.4Very high98.8Very high194 Ų19434.3 Ų34.384%0.84317%0.167SC*.THydrogen-bonded Turntrans55.742.7-177.9-54.7178.7-179.3178.20113.4C264 D265C264-K268 CarbonylContact O-C 3.5Å; C264-K268 WeakPolarHBondContact O-CA 3.33Å; C264-K268 PolarHBondContact O-N 3.24Å; D265-K268 PolarHBondContact O-N 3.42Å
269L98.8Very high98.8Very high12 Ų1232.6 Ų32.66%0.06316%0.158CC..  trans-94.6153.3-178.5-54-176.1000111.9I229 P239 V242 C264 H267 L271I229-L269 HydrophobicContact CD1-CD1 3.47Å; I229-L269 VanDerWaalsContact CD1-CD1 3.47Å; I229-L269 HydrophobicContact CG1-CD1 3.93Å; I229-L269 HydrophobicContact CG2-CD1 4.31Å; P239-L269 HydrophobicContact CB-CD1 4.19Å; P239-L269 HydrophobicContact CB-CD2 3.69Å; P239-L269 VanDerWaalsContact O-CD2 3.22Å; P239-L269 WeakPolarHBondContact O-CD2 3.44Å; V242-L269 HydrophobicContact CG2-CB 4.38Å; V242-L269 HydrophobicContact CG2-CD1 3.78Å; C264-L269 HydrophobicContact CB-CB 4.39Å; C264-L269 PolarHBondContact O-N 3.27Å; H267-L269 VanDerWaalsContact C-N 3.34Å; H267-L269 HydrophobicContact CB-CD1 4.01Å; H267-L269 HydrophobicContact CB-CD2 4.3Å; H267-L269 HydrophobicContact CB-CG 3.76Å; H267-L269 PolarHBondContact O-N 2.74Å; L269-L271 PolarHBondContact O-N 3.11Å
270W98.9Very high98.8Very high13 Ų1328.2 Ų28.25%0.04914%0.135CC..EExtended strand (participates in β ladder)trans-71120.8168.8-173.5-73.2000110.2L163 A164 R167 F240 L241 V242 N298 S299 L319 L325L163-W270 HydrophobicContact CB-CH2 4.32Å; A164-W270 HydrophobicContact CB-CB 3.6Å; A164-W270 HydrophobicContact CB-CD2 3.63Å; A164-W270 HydrophobicContact CB-CE3 3.98Å; A164-W270 HydrophobicContact CB-CG 3.45Å; A164-W270 VanDerWaalsContact CB-CG 3.45Å; R167-W270 HydrophobicContact CB-CZ3 4.25Å; R167-W270 VanDerWaalsContact CD-CZ3 3.46Å; F240-W270 WeakPolarHBondContact O-CB 3.27Å; F240-W270 PolarHBondContact O-N 3.45Å; L241-W270 WeakPolarHBondContact CA-O 3.25Å; V242-W270 PolarHBondContact N-O 3.07Å; W270-N298 WeakPolarHBondContact CA-OD1 3.46Å; W270-N298 HydrophobicContact CD2-CB 3.58Å; W270-N298 HydrophobicContact CE3-CB 4.07Å; W270-N298 HydrophobicContact CG-CB 4.05Å; W270-N298 HydrophobicContact CH2-CB 4.06Å; W270-N298 HydrophobicContact CZ2-CB 3.58Å; W270-N298 HydrophobicContact CZ3-CB 4.3Å; W270-S299 PolarHBondContact NE1-OG 3.21Å; W270-L319 HydrophobicContact CZ2-CD2 4.15Å; W270-L325 HydrophobicContact CH2-CD2 3.64Å; W270-L325 HydrophobicContact CZ3-CD2 3.79Å
271L98.9Very high98.8Very high4 Ų428.2 Ų28.22%0.02114%0.135CC..EExtended strand (participates in β ladder)trans-91.5109.8171.4177.257.2000110.1C244 I260 A261 C264 L269 V273 A297 N298 S299C244-L271 HydrophobicContact CB-CD1 4.44Å; C244-L271 WeakPolarHBondContact SG-CD1 3.29Å; I260-L271 HydrophobicContact CG2-CD1 4.22Å; A261-L271 HydrophobicContact CB-CD2 3.69Å; C264-L271 HydrophobicContact CB-CB 4.28Å; L269-L271 PolarHBondContact O-N 3.11Å; L271-V273 HydrophobicContact CG-CG2 4.49Å; L271-A297 HydrophobicContact CD2-CB 4.33Å; L271-A297 HydrophobicContact CG-CB 4.16Å; L271-N298 PolarHBondContact N-OD1 3.25Å; L271-N298 PolarHBondContact O-N 3.43Å; L271-S299 PolarHBondContact O-N 2.79Å
272H98.9Very high98.8Very high2 Ų229.1 Ų29.11%0.00914%0.14CC..EExtended strand (participates in β ladder)trans-102.9134.4168.4178.748.7000110.2N157 A160 L241 V242 C244 S299N157-H272 PolarHBondContact OD1-NE2 2.79Å; A160-H272 HydrophobicContact CB-CB 4.35Å; A160-H272 WeakPolarHBondContact CB-ND1 3.16Å; L241-H272 HydrophobicContact CD1-CB 4.39Å; V242-H272 PolarHBondContact O-N 3.12Å; C244-H272 PolarHBondContact N-O 3.19Å; H272-S299 WeakPolarHBondContact CA-O 3.3Å; H272-S299 PolarHBondContact ND1-O 3.09Å; H272-S299 PolarHBondContact ND1-OG 2.85Å
273V99Very high98.8Very high0 Ų025.6 Ų25.60%012%0.12CC..EExtended strand (participates in β ladder)trans-110.9110.5171.6-175.90000109.3C244 S246 L257 L271 A275 M291 V294 A297 S299 V300 A301C244-V273 HydrophobicContact CB-CG2 4.44Å; S246-V273 VanDerWaalsContact OG-CG1 3.27Å; S246-V273 WeakPolarHBondContact OG-CG1 3.48Å; L257-V273 HydrophobicContact CD1-CG1 4.06Å; L257-V273 HydrophobicContact CD1-CG2 4.17Å; L257-V273 HydrophobicContact CD2-CG1 4.1Å; L257-V273 HydrophobicContact CD2-CG2 3.96Å; L271-V273 HydrophobicContact CG-CG2 4.49Å; V273-A275 HydrophobicContact CG1-CB 4.23Å; V273-A275 PolarHBondContact O-N 2.85Å; V273-A275 VanDerWaalsContact O-N 3.08Å; V273-M291 HydrophobicContact CG1-CE 4.11Å; V273-V294 HydrophobicContact CB-CG2 4.48Å; V273-V294 HydrophobicContact CG1-CG2 4.41Å; V273-V294 HydrophobicContact CG2-CG2 4.42Å; V273-A297 HydrophobicContact CG2-CB 3.69Å; V273-S299 PolarHBondContact N-O 3.32Å; V273-V300 HydrophobicContact CB-CG2 4.33Å; V273-V300 WeakPolarHBondContact O-CA 3.5Å; V273-A301 PolarHBondContact O-N 3.39Å
274D98.9Very high98.8Very high7 Ų725 Ų254%0.03712%0.116CC..EExtended strand (participates in β ladder)trans-7591.4165.5-175.2-8.6000108.7N157 C244 S246 A276N157-D274 PolarHBondContact ND2-OD2 2.93Å; C244-D274 PolarHBondContact O-N 3.02Å; S246-D274 PolarHBondContact N-O 2.89Å; D274-A276 WeakPolarHBondContact OD1-CB 3.49Å; D274-A276 PolarHBondContact OD1-N 2.98Å
275A98.9Very high98.8Very high0 Ų032.9 Ų32.90%015%0.151CC..  trans-102.626.6172.900000110.8V273 W277 G279 M291 V300 A301V273-A275 HydrophobicContact CG1-CB 4.23Å; V273-A275 PolarHBondContact O-N 2.85Å; V273-A275 VanDerWaalsContact O-N 3.08Å; A275-W277 PolarHBondContact O-N 3.11Å; A275-W277 VanDerWaalsContact O-N 3.13Å; A275-G279 WeakPolarHBondContact O-CA 3.18Å; A275-G279 PolarHBondContact O-N 2.84Å; A275-M291 HydrophobicContact CB-CE 3.69Å; A275-M291 HydrophobicContact CB-SD 4.5Å; A275-V300 HydrophobicContact CB-CG1 3.86Å; A275-A301 CarbonylContact C-O 3.5Å; A275-A301 WeakPolarHBondContact CA-O 3.46Å; A275-A301 VanDerWaalsContact CB-O 3.3Å; A275-A301 WeakPolarHBondContact CB-O 3.15Å; A275-A301 PolarHBondContact N-O 2.94Å
276A98.9Very high98.8Very high6 Ų634.6 Ų34.65%0.0515%0.153CC..THydrogen-bonded Turntrans-51.6-41.8-17900000110.9D274 A301 N303D274-A276 WeakPolarHBondContact OD1-CB 3.49Å; D274-A276 PolarHBondContact OD1-N 2.98Å; A276-A301 PolarHBondContact N-O 3.14Å; A276-A301 VanDerWaalsContact N-O 3.13Å; A276-N303 HydrophobicContact CB-CB 4.41Å; A276-N303 VanDerWaalsContact CB-OD1 3.3Å; A276-N303 WeakPolarHBondContact CB-OD1 3.33Å; A276-N303 WeakPolarHBondContact O-CB 3.4Å; A276-N303 PolarHBondContact O-N 3.12Å; A276-N303 VanDerWaalsContact O-N 3.13Å
277W98.9Very high98.8Very high3 Ų329.3 Ų29.31%0.01113%0.131CC..THydrogen-bonded Turntrans-92-56.7176.6-178.6-140.2000113.1Q94 A275 G279 K306 M307 F410 V411 N412 L471Q94-W277 HydrophobicContact CB-CD2 4.33Å; Q94-W277 HydrophobicContact CB-CE3 4.08Å; Q94-W277 HydrophobicContact CB-CH2 4.45Å; Q94-W277 HydrophobicContact CB-CZ3 4.13Å; Q94-W277 HydrophobicContact CG-CD2 4.25Å; Q94-W277 HydrophobicContact CG-CE3 4.49Å; Q94-W277 HydrophobicContact CG-CZ2 4.47Å; A275-W277 PolarHBondContact O-N 3.11Å; A275-W277 VanDerWaalsContact O-N 3.13Å; W277-G279 PolarHBondContact O-N 3.26Å; W277-K306 HydrophobicContact CB-CD 4.27Å; W277-K306 HydrophobicContact CD2-CD 4.49Å; W277-K306 HydrophobicContact CE3-CB 3.6Å; W277-K306 HydrophobicContact CE3-CD 3.8Å; W277-K306 HydrophobicContact CE3-CG 4.33Å; W277-K306 HydrophobicContact CZ3-CB 3.74Å; W277-M307 HydrophobicContact CE3-CB 4.25Å; W277-M307 HydrophobicContact CH2-CB 4.4Å; W277-M307 HydrophobicContact CH2-SD 4.19Å; W277-M307 HydrophobicContact CZ3-CB 3.74Å; W277-M307 HydrophobicContact CZ3-SD 4.45Å; W277-F410 AromaticContact CD1-CD1 3.67Å; W277-F410 AromaticContact CD1-CE1 3.52Å; W277-F410 AromaticContact CD2-CE1 3.77Å; W277-F410 HydrophobicContact CD2-CE1 3.77Å; W277-F410 AromaticContact CE2-CD1 3.91Å; W277-F410 AromaticContact CE2-CE1 3.46Å; W277-F410 VanDerWaalsContact CE2-CE1 3.46Å; W277-F410 HydrophobicContact CG-CD1 4.41Å; W277-F410 AromaticContact CG-CE1 3.82Å; W277-F410 HydrophobicContact CG-CE1 3.82Å; W277-F410 HydrophobicContact CZ2-CE1 4.07Å; W277-F410 AromaticContact NE1-CD1 3.3Å; W277-F410 VanDerWaalsContact NE1-CD1 3.3Å; W277-F410 AromaticContact NE1-CE1 3.27Å; W277-F410 VanDerWaalsContact NE1-CE1 3.27Å; W277-V411 HydrophobicContact CH2-CG2 4.05Å; W277-V411 HydrophobicContact CZ2-CG2 3.54Å; W277-N412 PolarHBondContact NE1-OD1 2.84Å; W277-L471 HydrophobicContact CH2-CB 4.02Å; W277-L471 HydrophobicContact CH2-CD2 3.58Å; W277-L471 HydrophobicContact CH2-CG 4.41Å; W277-L471 HydrophobicContact CZ3-CD2 3.96Å
278G98.8Very high98.8Very high0 Ų030.3 Ų30.30%014%0.14CC..G310 helixtrans-77.8-13.6-172.300000115.8S246 S280 V281S246-G278 WeakPolarHBondContact O-CA 3.04Å; S246-G278 PolarHBondContact O-N 2.97Å; G278-S280 PolarHBondContact O-N 3.15Å; G278-V281 WeakPolarHBondContact O-CG1 3.29Å; G278-V281 WeakPolarHBondContact O-CG2 3.5Å; G278-V281 PolarHBondContact O-N 3.05Å
279G98.8Very high98.8Very high0 Ų026.7 Ų26.70%013%0.126CC..G310 helixtrans-57.6-28.4-174.100000113.8A275 W277 V281 L282 W302A275-G279 WeakPolarHBondContact O-CA 3.18Å; A275-G279 PolarHBondContact O-N 2.84Å; W277-G279 PolarHBondContact O-N 3.26Å; G279-V281 PolarHBondContact O-N 3.1Å; G279-V281 VanDerWaalsContact O-N 3.16Å; G279-L282 WeakPolarHBondContact O-CB 3.29Å; G279-L282 WeakPolarHBondContact O-CG 3.47Å; G279-L282 PolarHBondContact O-N 3.1Å; G279-L282 VanDerWaalsContact O-N 3.11Å; G279-W302 WeakPolarHBondContact O-CZ2 3.42Å
280S98.8Very high98.8Very high0 Ų027.6 Ų27.60%013%0.131CC..G310 helixtrans-65.4-16.5178-66.10000114.9G278 L282 F283 W302 L308 V382G278-S280 PolarHBondContact O-N 3.15Å; S280-L282 PolarHBondContact O-N 3.28Å; S280-F283 PolarHBondContact O-N 2.76Å; S280-W302 VanDerWaalsContact N-NE1 3.16Å; S280-W302 PolarHBondContact OG-NE1 3.46Å; S280-L308 WeakPolarHBondContact OG-CG 3.34Å; S280-V382 WeakPolarHBondContact O-CG2 3.47Å
281V98.8Very high98.8Very high0 Ų027.1 Ų27.10%013%0.129CC..G310 helixtrans-65-18.3173.3-53.10000112.8F254 G278 G279 F283 S284 H287 S288 L290 M291 F386 F410F254-V281 HydrophobicContact CE1-CG2 4.22Å; F254-V281 HydrophobicContact CZ-CG1 4.17Å; F254-V281 HydrophobicContact CZ-CG2 4.43Å; G278-V281 WeakPolarHBondContact O-CG1 3.29Å; G278-V281 WeakPolarHBondContact O-CG2 3.5Å; G278-V281 PolarHBondContact O-N 3.05Å; G279-V281 PolarHBondContact O-N 3.1Å; G279-V281 VanDerWaalsContact O-N 3.16Å; V281-F283 PolarHBondContact O-N 2.84Å; V281-S284 PolarHBondContact O-N 3.47Å; V281-H287 HydrophobicContact CB-CB 4.26Å; V281-S288 PolarHBondContact O-N 3.22Å; V281-L290 HydrophobicContact CG2-CB 4.34Å; V281-M291 HydrophobicContact CG2-CG 3.44Å; V281-M291 VanDerWaalsContact CG2-CG 3.44Å; V281-M291 HydrophobicContact CG2-SD 4.36Å; V281-F386 HydrophobicContact CG1-CE2 3.94Å; V281-F386 HydrophobicContact CG1-CZ 3.98Å; V281-F410 HydrophobicContact CG1-CD2 4.16Å; V281-F410 HydrophobicContact CG1-CE2 3.37Å; V281-F410 HydrophobicContact CG1-CZ 3.72Å
282L98.9Very high98.8Very high20 Ų2034 Ų3411%0.10516%0.159CC..G310 helixtrans-64-20.4176.1-67.2173.2000113.5L139 V140 G279 S280 S284 M291 V294 W302L139-L282 HydrophobicContact CB-CB 4.11Å; V140-L282 HydrophobicContact CG2-CD1 3.96Å; G279-L282 WeakPolarHBondContact O-CB 3.29Å; G279-L282 WeakPolarHBondContact O-CG 3.47Å; G279-L282 PolarHBondContact O-N 3.1Å; G279-L282 VanDerWaalsContact O-N 3.11Å; S280-L282 PolarHBondContact O-N 3.28Å; L282-S284 VanDerWaalsContact C-N 3.3Å; L282-M291 HydrophobicContact CD2-CB 3.57Å; L282-M291 HydrophobicContact CD2-CG 3.8Å; L282-M291 HydrophobicContact CG-CB 4.31Å; L282-M291 HydrophobicContact CG-CG 4.01Å; L282-V294 HydrophobicContact CD2-CG1 4.31Å; L282-W302 HydrophobicContact CB-CH2 4.41Å; L282-W302 HydrophobicContact CD1-CZ3 4.19Å
283F98.8Very high98.8Very high10 Ų1034 Ų344%0.04416%0.16CC..G310 helixtrans-69.6-29170.3-79.9-80.8000112.6L136 L139 S280 V281 W302 L308 W370 L378 E379L136-F283 HydrophobicContact CD2-CE2 4.46Å; L136-F283 HydrophobicContact CD2-CZ 4.44Å; L139-F283 HydrophobicContact CD1-CD1 3.96Å; L139-F283 HydrophobicContact CD1-CD2 4.08Å; L139-F283 HydrophobicContact CD1-CE1 3.58Å; L139-F283 HydrophobicContact CD1-CE2 3.7Å; L139-F283 HydrophobicContact CD1-CG 4.2Å; L139-F283 HydrophobicContact CD1-CZ 3.45Å; L139-F283 VanDerWaalsContact CD1-CZ 3.45Å; S280-F283 PolarHBondContact O-N 2.76Å; V281-F283 PolarHBondContact O-N 2.84Å; F283-W302 AromaticContact CD2-CH2 3.96Å; F283-W302 HydrophobicContact CD2-CH2 3.96Å; F283-W302 AromaticContact CD2-CZ2 3.82Å; F283-W302 HydrophobicContact CD2-CZ2 3.82Å; F283-W302 AromaticContact CE2-CH2 3.55Å; F283-W302 HydrophobicContact CE2-CH2 3.55Å; F283-W302 AromaticContact CE2-CZ2 3.49Å; F283-W302 HydrophobicContact CE2-CZ2 3.49Å; F283-W302 VanDerWaalsContact CE2-CZ2 3.49Å; F283-W302 HydrophobicContact CZ-CH2 4.44Å; F283-L308 HydrophobicContact CD2-CD1 4.18Å; F283-L308 HydrophobicContact CD2-CD2 4.15Å; F283-L308 HydrophobicContact CE2-CD1 3.6Å; F283-L308 HydrophobicContact CE2-CD2 4.39Å; F283-L308 HydrophobicContact CZ-CD1 4.33Å; F283-W370 HydrophobicContact CE1-CD2 4.43Å; F283-W370 AromaticContact CE1-CE2 3.61Å; F283-W370 AromaticContact CE1-CH2 3.99Å; F283-W370 HydrophobicContact CE1-CH2 3.99Å; F283-W370 AromaticContact CE1-CZ2 3.36Å; F283-W370 HydrophobicContact CE1-CZ2 3.36Å; F283-W370 AromaticContact CE1-NE1 3.88Å; F283-W370 HydrophobicContact CZ-CD2 4.29Å; F283-W370 AromaticContact CZ-CE2 3.82Å; F283-W370 HydrophobicContact CZ-CE3 4.39Å; F283-W370 AromaticContact CZ-CH2 3.61Å; F283-W370 HydrophobicContact CZ-CH2 3.61Å; F283-W370 AromaticContact CZ-CZ2 3.48Å; F283-W370 HydrophobicContact CZ-CZ2 3.48Å; F283-W370 VanDerWaalsContact CZ-CZ2 3.48Å; F283-W370 HydrophobicContact CZ-CZ3 4.08Å; F283-L378 HydrophobicContact CB-CB 4.47Å; F283-L378 HydrophobicContact CD1-CB 3.74Å; F283-L378 HydrophobicContact CD1-CD1 4.06Å; F283-L378 HydrophobicContact CE1-CB 4.03Å; F283-L378 HydrophobicContact CE1-CD1 3.45Å; F283-L378 VanDerWaalsContact CE1-CD1 3.45Å; F283-L378 HydrophobicContact CE1-CG 4.37Å; F283-L378 HydrophobicContact CE2-CD1 4.21Å; F283-L378 HydrophobicContact CG-CB 4Å; F283-L378 HydrophobicContact CZ-CD1 3.53Å; F283-E379 WeakPolarHBondContact O-CB 3Å
284S98.8Very high98.7Very high1 Ų134.3 Ų34.31%0.00716%0.161CC..  trans-90.6121.5-175.8169.10000111.6V281 L282 K286 H287 S288 D383V281-S284 PolarHBondContact O-N 3.47Å; L282-S284 VanDerWaalsContact C-N 3.3Å; S284-K286 PolarHBondContact O-N 3.37Å; S284-K286 PolarHBondContact OG-N 2.85Å; S284-H287 PolarHBondContact O-N 3.34Å; S284-H287 PolarHBondContact OG-CD2 3.11Å; S284-H287 PolarHBondContact OG-N 3.21Å; S284-H287 VanDerWaalsContact OG-N 3.1Å; S284-S288 WeakPolarHBondContact O-CB 3.44Å; S284-S288 PolarHBondContact O-N 2.54Å; S284-S288 PolarHBondContact O-OG 2.9Å; S284-D383 VanDerWaalsContact CB-OD1 3.26Å; S284-D383 WeakPolarHBondContact CB-OD1 3.18Å; S284-D383 PolarHBondContact OG-OD1 2.98Å
285K98.4Very high98.7Very high169 Ų16938.2 Ų38.274%0.73518%0.179SC*.THydrogen-bonded Turntrans-63.8-27.1172.9-65.4169.1-172.1171.80112.5E379K285-E379 WeakPolarHBondContact CB-OE1 3.41Å; K285-E379 VanDerWaalsContact CG-OE1 3.29Å; K285-E379 WeakPolarHBondContact CG-OE1 3.5Å; K285-E379 PolarHBondContact N-OE1 2.95Å
286K98.6Very high98.7Very high135 Ų13541.2 Ų41.259%0.58719%0.191SC*.THydrogen-bonded Turntrans-77-33.6179.1-63.5179.1-169.31410112.2S284 H289 D383S284-K286 PolarHBondContact O-N 3.37Å; S284-K286 PolarHBondContact OG-N 2.85Å; K286-H289 PolarHBondContact O-CE1 2.82Å; K286-H289 PolarHBondContact O-ND1 3.44Å; K286-D383 WeakPolarHBondContact CD-OD2 3.43Å; K286-D383 WeakPolarHBondContact CE-OD2 3.41Å; K286-D383 IonicContact NZ-OD2 2.79Å; K286-D383 PolarHBondContact NZ-OD2 2.85Å
287H98.7Very high98.7Very high17 Ų1740.9 Ų40.98%0.07919%0.188CC..THydrogen-bonded Turntrans-113.3-9.3-169.2-63.6-62.7000114.4V281 S284 H289 L290 D383 F386 R390V281-H287 HydrophobicContact CB-CB 4.26Å; S284-H287 PolarHBondContact O-N 3.34Å; S284-H287 PolarHBondContact OG-CD2 3.11Å; S284-H287 PolarHBondContact OG-N 3.21Å; S284-H287 VanDerWaalsContact OG-N 3.1Å; H287-H289 PolarHBondContact O-N 3.36Å; H287-H289 VanDerWaalsContact O-N 3.1Å; H287-L290 HydrophobicContact CB-CD1 4.44Å; H287-L290 WeakPolarHBondContact O-CB 3.39Å; H287-L290 WeakPolarHBondContact O-CG 3.42Å; H287-L290 PolarHBondContact O-N 3.47Å; H287-D383 IonicContact CD2-OD1 3.75Å; H287-F386 HydrophobicContact CB-CD2 4.41Å; H287-F386 HydrophobicContact CB-CE2 3.8Å; H287-F386 HydrophobicContact CB-CZ 3.87Å; H287-F386 AromaticContact CD2-CD2 3.46Å; H287-F386 VanDerWaalsContact CD2-CD2 3.46Å; H287-F386 WeakPolarHBondContact CD2-CD2 3.45Å; H287-F386 AromaticContact CD2-CE2 3.77Å; H287-F386 AromaticContact CD2-CG 3.73Å; H287-F386 AromaticContact CE1-CD1 3.57Å; H287-F386 AromaticContact CE1-CE1 3.96Å; H287-F386 AromaticContact CE1-CG 3.64Å; H287-F386 AromaticContact CG-CD2 3.74Å; H287-F386 AromaticContact CG-CE2 3.58Å; H287-F386 AromaticContact CG-CZ 3.7Å; H287-F386 AromaticContact ND1-CD1 3.73Å; H287-F386 AromaticContact ND1-CE1 3.63Å; H287-F386 AromaticContact ND1-CG 3.96Å; H287-F386 AromaticContact ND1-CZ 3.79Å; H287-F386 AromaticContact NE2-CD1 3.93Å; H287-F386 AromaticContact NE2-CD2 3.75Å; H287-F386 AromaticContact NE2-CG 3.48Å; H287-F386 WeakPolarHBondContact NE2-CG 3.21Å; H287-R390 PolarHBondContact CE1-NH2 2.94Å; H287-R390 PolarHBondContact NE2-NH2 3.39Å; H287-R390 VanDerWaalsContact NE2-NH2 3.18Å
288S98.4Very high98.7Very high43 Ų4342.5 Ų42.530%0.30120%0.197SC..G310 helixtrans-59-23.3178.559.70000113.9V281 S284 L290 M291V281-S288 PolarHBondContact O-N 3.22Å; S284-S288 WeakPolarHBondContact O-CB 3.44Å; S284-S288 PolarHBondContact O-N 2.54Å; S284-S288 PolarHBondContact O-OG 2.9Å; S288-L290 PolarHBondContact O-N 3.13Å; S288-L290 VanDerWaalsContact O-N 3.15Å; S288-M291 WeakPolarHBondContact O-CB 3.41Å; S288-M291 PolarHBondContact O-N 3.24Å
289H98.6Very high98.8Very high118 Ų11842.5 Ų42.555%0.54620%0.197SC..G310 helixtrans-59.7-21.6174.370.8-91.1000113.6K286 H287 M291 K292K286-H289 PolarHBondContact O-CE1 2.82Å; K286-H289 PolarHBondContact O-ND1 3.44Å; H287-H289 PolarHBondContact O-N 3.36Å; H287-H289 VanDerWaalsContact O-N 3.1Å; H289-M291 PolarHBondContact O-N 2.91Å; H289-K292 VanDerWaalsContact O-CB 3.25Å; H289-K292 WeakPolarHBondContact O-CB 3.33Å; H289-K292 PolarHBondContact O-N 2.88Å; H289-K292 VanDerWaalsContact O-N 3.12Å
290L98.8Very high98.8Very high32 Ų3242.5 Ų42.517%0.16820%0.197CC..G310 helixtrans-64-21.6173.3-65.6171.7000112.5F254 V281 H287 S288 F386F254-L290 HydrophobicContact CD1-CB 3.81Å; F254-L290 VanDerWaalsContact CD1-O 3.32Å; F254-L290 WeakPolarHBondContact CD1-O 3.47Å; F254-L290 HydrophobicContact CD2-CB 4.21Å; F254-L290 HydrophobicContact CD2-CD1 4.31Å; F254-L290 HydrophobicContact CD2-CD2 4.31Å; F254-L290 HydrophobicContact CE1-CB 3.86Å; F254-L290 HydrophobicContact CE2-CB 4.24Å; F254-L290 HydrophobicContact CE2-CD1 3.83Å; F254-L290 HydrophobicContact CE2-CG 4.47Å; F254-L290 HydrophobicContact CG-CB 4Å; F254-L290 HydrophobicContact CZ-CB 4.09Å; F254-L290 HydrophobicContact CZ-CD1 4.02Å; V281-L290 HydrophobicContact CG2-CB 4.34Å; H287-L290 HydrophobicContact CB-CD1 4.44Å; H287-L290 WeakPolarHBondContact O-CB 3.39Å; H287-L290 WeakPolarHBondContact O-CG 3.42Å; H287-L290 PolarHBondContact O-N 3.47Å; S288-L290 PolarHBondContact O-N 3.13Å; S288-L290 VanDerWaalsContact O-N 3.15Å; L290-F386 HydrophobicContact CD1-CE1 4.08Å; L290-F386 HydrophobicContact CD1-CZ 3.76Å
291M98.7Very high98.8Very high3 Ų342.5 Ų42.52%0.01520%0.197CC..G310 helixtrans-101.217.2177.1-62.5-68.9-58.400112.3S246 F254 L257 V273 A275 V281 L282 S288 H289 G293 V294S246-M291 WeakPolarHBondContact CB-SD 3.38Å; S246-M291 PolarHBondContact OG-SD 3.39Å; F254-M291 HydrophobicContact CD1-SD 4.01Å; F254-M291 HydrophobicContact CE1-CG 4.41Å; F254-M291 HydrophobicContact CE1-SD 3.77Å; L257-M291 HydrophobicContact CD1-CE 4.36Å; V273-M291 HydrophobicContact CG1-CE 4.11Å; A275-M291 HydrophobicContact CB-CE 3.69Å; A275-M291 HydrophobicContact CB-SD 4.5Å; V281-M291 HydrophobicContact CG2-CG 3.44Å; V281-M291 VanDerWaalsContact CG2-CG 3.44Å; V281-M291 HydrophobicContact CG2-SD 4.36Å; L282-M291 HydrophobicContact CD2-CB 3.57Å; L282-M291 HydrophobicContact CD2-CG 3.8Å; L282-M291 HydrophobicContact CG-CB 4.31Å; L282-M291 HydrophobicContact CG-CG 4.01Å; S288-M291 WeakPolarHBondContact O-CB 3.41Å; S288-M291 PolarHBondContact O-N 3.24Å; H289-M291 PolarHBondContact O-N 2.91Å; M291-G293 PolarHBondContact O-N 3.19Å; M291-G293 VanDerWaalsContact O-N 3.14Å; M291-V294 HydrophobicContact CB-CB 4.34Å; M291-V294 HydrophobicContact CB-CG1 4.12Å; M291-V294 HydrophobicContact CE-CB 3.96Å; M291-V294 HydrophobicContact CE-CG1 4.48Å; M291-V294 HydrophobicContact CE-CG2 3.6Å; M291-V294 VanDerWaalsContact O-CB 3.3Å; M291-V294 WeakPolarHBondContact O-CB 3.01Å; M291-V294 VanDerWaalsContact O-CG1 3.3Å; M291-V294 WeakPolarHBondContact O-CG1 3.23Å; M291-V294 PolarHBondContact O-N 2.84Å
292K98.7Very high98.8Very high147 Ų14742.5 Ų42.564%0.63920%0.197SC*.THydrogen-bonded Turntrans-56.6121.8-178.2-169.2-163.7178.1-151.90110.2L257 D258 H289L257-K292 WeakPolarHBondContact CB-O 2.9Å; D258-K292 VanDerWaalsContact OD2-CD 3.23Å; D258-K292 WeakPolarHBondContact OD2-CD 3.43Å; D258-K292 WeakPolarHBondContact OD2-CE 3.35Å; D258-K292 WeakPolarHBondContact OD2-CG 3.08Å; D258-K292 IonicContact OD2-NZ 2.68Å; D258-K292 PolarHBondContact OD2-NZ 2.92Å; H289-K292 VanDerWaalsContact O-CB 3.25Å; H289-K292 WeakPolarHBondContact O-CB 3.33Å; H289-K292 PolarHBondContact O-N 2.88Å; H289-K292 VanDerWaalsContact O-N 3.12Å
293G98.7Very high98.8Very high3 Ų341.9 Ų41.93%0.03119%0.194CC..THydrogen-bonded Turntrans102-8.9-175.800000115.6D258 M291 H295 R296D258-G293 WeakPolarHBondContact OD1-CA 3.21Å; D258-G293 PolarHBondContact OD1-N 2.8Å; M291-G293 PolarHBondContact O-N 3.19Å; M291-G293 VanDerWaalsContact O-N 3.14Å; G293-H295 PolarHBondContact O-N 2.98Å; G293-H295 VanDerWaalsContact O-N 3.11Å; G293-R296 WeakPolarHBondContact O-CB 3.25Å; G293-R296 PolarHBondContact O-N 3.16Å
294V98.9Very high98.8Very high6 Ų641.4 Ų41.44%0.03619%0.192CC..G310 helixtrans-57.4-31.4-178.470.50000113.8V140 L257 V273 L282 M291 R296 A297 V300V140-V294 HydrophobicContact CG1-CG1 4.22Å; V140-V294 HydrophobicContact CG1-CG2 4.12Å; L257-V294 HydrophobicContact CD1-CB 3.79Å; L257-V294 HydrophobicContact CD1-CG2 4.3Å; V273-V294 HydrophobicContact CB-CG2 4.48Å; V273-V294 HydrophobicContact CG1-CG2 4.41Å; V273-V294 HydrophobicContact CG2-CG2 4.42Å; L282-V294 HydrophobicContact CD2-CG1 4.31Å; M291-V294 HydrophobicContact CB-CB 4.34Å; M291-V294 HydrophobicContact CB-CG1 4.12Å; M291-V294 HydrophobicContact CE-CB 3.96Å; M291-V294 HydrophobicContact CE-CG1 4.48Å; M291-V294 HydrophobicContact CE-CG2 3.6Å; M291-V294 VanDerWaalsContact O-CB 3.3Å; M291-V294 WeakPolarHBondContact O-CB 3.01Å; M291-V294 VanDerWaalsContact O-CG1 3.3Å; M291-V294 WeakPolarHBondContact O-CG1 3.23Å; M291-V294 PolarHBondContact O-N 2.84Å; V294-R296 PolarHBondContact O-N 3.13Å; V294-R296 VanDerWaalsContact O-N 3.1Å; V294-A297 WeakPolarHBondContact O-CB 3.37Å; V294-A297 PolarHBondContact O-N 3.47Å; V294-V300 HydrophobicContact CG2-CG2 3.69Å
295H98.8Very high98.8Very high89 Ų8942 Ų4241%0.41219%0.194SC..G310 helixtrans-62.8-14.8176.568.5-78.5000114V140 W142 G293 K320V140-H295 WeakPolarHBondContact O-CB 3.32Å; W142-H295 PolarHBondContact NE1-O 2.98Å; G293-H295 PolarHBondContact O-N 2.98Å; G293-H295 VanDerWaalsContact O-N 3.11Å; H295-K320 PolarHBondContact O-NZ 3.01Å
296R98.8Very high98.8Very high63 Ų6335 Ų3524%0.23816%0.164CC..G310 helixtrans-85.8-13.8173.8-61.7177.765.2-176.91.6113D258 A261 D262 D265 G293 V294D258-R296 PolarHBondContact O-NH1 3.33Å; D258-R296 VanDerWaalsContact O-NH1 3.11Å; A261-R296 HydrophobicContact CB-CB 3.94Å; A261-R296 VanDerWaalsContact CB-CZ 3.45Å; D262-R296 IonicContact OD1-CZ 2.74Å; D262-R296 IonicContact OD1-NH1 3.71Å; D262-R296 PolarHBondContact OD1-NH1 2.89Å; D262-R296 IonicContact OD1-NH2 2.7Å; D262-R296 PolarHBondContact OD1-NH2 3.21Å; D265-R296 IonicContact OD2-CZ 2.99Å; D265-R296 IonicContact OD2-NE 3.31Å; D265-R296 IonicContact OD2-NH2 2.88Å; D265-R296 PolarHBondContact OD2-NH2 3.15Å; G293-R296 WeakPolarHBondContact O-CB 3.25Å; G293-R296 PolarHBondContact O-N 3.16Å; V294-R296 PolarHBondContact O-N 3.13Å; V294-R296 VanDerWaalsContact O-N 3.1Å
297A98.9Very high98.8Very high0 Ų028.8 Ų28.80%014%0.137CC..  trans-62154.7178.800000112.3W142 L271 V273 V294 V300W142-A297 HydrophobicContact CZ2-CB 4.18Å; W142-A297 WeakPolarHBondContact CZ2-O 3.46Å; L271-A297 HydrophobicContact CD2-CB 4.33Å; L271-A297 HydrophobicContact CG-CB 4.16Å; V273-A297 HydrophobicContact CG2-CB 3.69Å; V294-A297 WeakPolarHBondContact O-CB 3.37Å; V294-A297 PolarHBondContact O-N 3.47Å; A297-V300 HydrophobicContact CB-CG2 4.24Å
298N98.9Very high98.8Very high37 Ų3728 Ų2820%0.19813%0.133CC..SBendtrans-85.9-33.3168.9-57.7110.7000111R167 W270 L271 K320R167-N298 PolarHBondContact NH1-ND2 2.95Å; W270-N298 WeakPolarHBondContact CA-OD1 3.46Å; W270-N298 HydrophobicContact CD2-CB 3.58Å; W270-N298 HydrophobicContact CE3-CB 4.07Å; W270-N298 HydrophobicContact CG-CB 4.05Å; W270-N298 HydrophobicContact CH2-CB 4.06Å; W270-N298 HydrophobicContact CZ2-CB 3.58Å; W270-N298 HydrophobicContact CZ3-CB 4.3Å; L271-N298 PolarHBondContact N-OD1 3.25Å; L271-N298 PolarHBondContact O-N 3.43Å; N298-K320 PolarHBondContact O-N 2.92Å; N298-K320 VanDerWaalsContact O-N 3.15Å
299S98.9Very high98.7Very high0 Ų026.3 Ų26.30%012%0.121CC..EExtended strand (participates in β ladder)trans-144.9149.4175.759.10000113.9A160 W270 L271 H272 V273 L318A160-S299 WeakPolarHBondContact CB-OG 3.3Å; W270-S299 PolarHBondContact NE1-OG 3.21Å; L271-S299 PolarHBondContact O-N 2.79Å; H272-S299 WeakPolarHBondContact CA-O 3.3Å; H272-S299 PolarHBondContact ND1-O 3.09Å; H272-S299 PolarHBondContact ND1-OG 2.85Å; V273-S299 PolarHBondContact N-O 3.32Å; S299-L318 CarbonylContact C-O 3.51Å; S299-L318 WeakPolarHBondContact CA-O 3.28Å
300V99Very high98.7Very high0 Ų020.7 Ų20.70%010%0.095CC..EExtended strand (participates in β ladder)trans-128.6127.5175.4179.40000109.6V140 W142 V273 A275 V294 A297 L318V140-V300 HydrophobicContact CG1-CG2 4.12Å; V140-V300 HydrophobicContact CG2-CG2 4.37Å; W142-V300 HydrophobicContact CH2-CG2 3.75Å; W142-V300 HydrophobicContact CZ2-CG2 4.38Å; W142-V300 HydrophobicContact CZ3-CG2 4.4Å; V273-V300 HydrophobicContact CB-CG2 4.33Å; V273-V300 WeakPolarHBondContact O-CA 3.5Å; A275-V300 HydrophobicContact CB-CG1 3.86Å; V294-V300 HydrophobicContact CG2-CG2 3.69Å; A297-V300 HydrophobicContact CB-CG2 4.24Å; V300-L318 HydrophobicContact CB-CB 4.41Å; V300-L318 PolarHBondContact N-O 3.11Å; V300-L318 PolarHBondContact O-N 2.87Å
301A98.9Very high98.7Very high0 Ų019.7 Ų19.70%09%0.093CC..EExtended strand (participates in β ladder)trans-92.4137.416500000109.2N157 V273 A275 A276 V316N157-A301 VanDerWaalsContact OD1-CB 3.23Å; N157-A301 WeakPolarHBondContact OD1-CB 3.41Å; V273-A301 PolarHBondContact O-N 3.39Å; A275-A301 CarbonylContact C-O 3.5Å; A275-A301 WeakPolarHBondContact CA-O 3.46Å; A275-A301 VanDerWaalsContact CB-O 3.3Å; A275-A301 WeakPolarHBondContact CB-O 3.15Å; A275-A301 PolarHBondContact N-O 2.94Å; A276-A301 PolarHBondContact N-O 3.14Å; A276-A301 VanDerWaalsContact N-O 3.13Å; A301-V316 WeakPolarHBondContact CA-O 3.44Å
302W98.9Very high98.7Very high0 Ų023.8 Ų23.80%011%0.114CC..EExtended strand (participates in β ladder)trans-148.5132.8179.7-179.110000111.2L136 L139 G279 S280 L282 F283 P304 L308 S315 V316 L318L136-W302 HydrophobicContact CB-CE3 4.26Å; L136-W302 HydrophobicContact CB-CZ3 4.04Å; L136-W302 HydrophobicContact CD2-CD2 4.47Å; L136-W302 HydrophobicContact CD2-CE3 3.96Å; L136-W302 HydrophobicContact CD2-CH2 3.58Å; L136-W302 HydrophobicContact CD2-CZ2 4.08Å; L136-W302 HydrophobicContact CD2-CZ3 3.52Å; L136-W302 HydrophobicContact CG-CZ3 4.33Å; L139-W302 HydrophobicContact CB-CH2 4.5Å; L139-W302 HydrophobicContact CB-CZ3 4.39Å; L139-W302 HydrophobicContact CD1-CH2 3.79Å; L139-W302 HydrophobicContact CD1-CZ3 4.31Å; G279-W302 WeakPolarHBondContact O-CZ2 3.42Å; S280-W302 VanDerWaalsContact N-NE1 3.16Å; S280-W302 PolarHBondContact OG-NE1 3.46Å; L282-W302 HydrophobicContact CB-CH2 4.41Å; L282-W302 HydrophobicContact CD1-CZ3 4.19Å; F283-W302 AromaticContact CD2-CH2 3.96Å; F283-W302 HydrophobicContact CD2-CH2 3.96Å; F283-W302 AromaticContact CD2-CZ2 3.82Å; F283-W302 HydrophobicContact CD2-CZ2 3.82Å; F283-W302 AromaticContact CE2-CH2 3.55Å; F283-W302 HydrophobicContact CE2-CH2 3.55Å; F283-W302 AromaticContact CE2-CZ2 3.49Å; F283-W302 HydrophobicContact CE2-CZ2 3.49Å; F283-W302 VanDerWaalsContact CE2-CZ2 3.49Å; F283-W302 HydrophobicContact CZ-CH2 4.44Å; W302-P304 WeakPolarHBondContact O-CD 3.42Å; W302-L308 HydrophobicContact CZ2-CD1 4.49Å; W302-S315 CarbonylContact O-C 3.54Å; W302-S315 WeakPolarHBondContact O-CA 3.43Å; W302-V316 HydrophobicContact CB-CG2 3.89Å; W302-V316 PolarHBondContact N-O 3.35Å; W302-V316 WeakPolarHBondContact O-CG2 3.41Å; W302-V316 PolarHBondContact O-N 3.07Å; W302-L318 HydrophobicContact CE3-CD1 4.37Å
303N98.9Very high98.7Very high6 Ų621 Ų213%0.03210%0.103CC..  trans-112.391.1-179.7-56.216.4000112.8G153 A276 H305 K306 C314 S315G153-N303 WeakPolarHBondContact CA-OD1 3.14Å; A276-N303 HydrophobicContact CB-CB 4.41Å; A276-N303 VanDerWaalsContact CB-OD1 3.3Å; A276-N303 WeakPolarHBondContact CB-OD1 3.33Å; A276-N303 WeakPolarHBondContact O-CB 3.4Å; A276-N303 PolarHBondContact O-N 3.12Å; A276-N303 VanDerWaalsContact O-N 3.13Å; N303-H305 VanDerWaalsContact CB-CE1 3.47Å; N303-H305 WeakPolarHBondContact CB-CE1 3.4Å; N303-H305 PolarHBondContact ND2-CE1 3.44Å; N303-H305 PolarHBondContact ND2-NE2 3.37Å; N303-H305 VanDerWaalsContact ND2-NE2 3.18Å; N303-H305 PolarHBondContact O-N 3.48Å; N303-H305 VanDerWaalsContact O-N 3.08Å; N303-K306 HydrophobicContact CB-CB 4.49Å; N303-K306 HydrophobicContact CB-CD 4.14Å; N303-K306 HydrophobicContact CB-CG 3.88Å; N303-K306 WeakPolarHBondContact O-CB 3.45Å; N303-K306 PolarHBondContact O-N 2.96Å; N303-C314 CarbonylContact C-O 3.47Å; N303-C314 WeakPolarHBondContact CA-O 3.19Å; N303-S315 PolarHBondContact OD1-OG 2.85Å
304P98.8Very high98.7Very high0 Ų020.8 Ų20.80%010%0.102CC..THydrogen-bonded Turntrans-54.4-23.8169.4-31.338000115W302 K306 L308 V309 A310 C314 L366W302-P304 WeakPolarHBondContact O-CD 3.42Å; P304-K306 PolarHBondContact O-N 3.27Å; P304-L308 HydrophobicContact CB-CD1 4.17Å; P304-L308 WeakPolarHBondContact O-CB 3.3Å; P304-V309 PolarHBondContact O-N 2.89Å; P304-A310 HydrophobicContact CB-CB 4.04Å; P304-A310 WeakPolarHBondContact O-CB 3.37Å; P304-A310 PolarHBondContact O-N 3.43Å; P304-A310 VanDerWaalsContact O-N 3.15Å; P304-C314 VanDerWaalsContact CD-O 3.32Å; P304-C314 WeakPolarHBondContact CD-O 3.26Å; P304-L366 HydrophobicContact CB-CD1 3.93Å; P304-L366 HydrophobicContact CB-CD2 3.69Å; P304-L366 HydrophobicContact CB-CG 4.38Å; P304-L366 HydrophobicContact CG-CD2 3.56Å
305H98.8Very high98.7Very high14 Ų1420.5 Ų20.57%0.06510%0.1CC..THydrogen-bonded Turntrans-66.3-13174.363.9-111.4000114.4N303 G311 L312 C314N303-H305 VanDerWaalsContact CB-CE1 3.47Å; N303-H305 WeakPolarHBondContact CB-CE1 3.4Å; N303-H305 PolarHBondContact ND2-CE1 3.44Å; N303-H305 PolarHBondContact ND2-NE2 3.37Å; N303-H305 VanDerWaalsContact ND2-NE2 3.18Å; N303-H305 PolarHBondContact O-N 3.48Å; N303-H305 VanDerWaalsContact O-N 3.08Å; H305-G311 VanDerWaalsContact CB-O 3.25Å; H305-G311 WeakPolarHBondContact CB-O 3.5Å; H305-L312 HydrophobicContact CB-CD2 4.16Å; H305-L312 WeakPolarHBondContact CD2-CD2 3.36Å; H305-C314 HydrophobicContact CB-CB 3.76Å; H305-C314 PolarHBondContact N-O 2.96Å; H305-C314 VanDerWaalsContact ND1-C 3.27Å; H305-C314 PolarHBondContact ND1-N 3.2Å; H305-C314 PolarHBondContact ND1-O 2.97Å
306K98.8Very high98.7Very high22 Ų2216.3 Ų16.310%0.0968%0.08CC..SBendtrans-86.7-103.3177-64.3-169-178.2-177.20110.2Q94 W277 N303 P304 L308 V309Q94-K306 HydrophobicContact CB-CD 4Å; Q94-K306 HydrophobicContact CB-CG 4.44Å; Q94-K306 WeakPolarHBondContact O-CA 3.34Å; Q94-K306 WeakPolarHBondContact O-CB 3.43Å; Q94-K306 VanDerWaalsContact O-CG 3.29Å; Q94-K306 WeakPolarHBondContact O-CG 3.45Å; W277-K306 HydrophobicContact CB-CD 4.27Å; W277-K306 HydrophobicContact CD2-CD 4.49Å; W277-K306 HydrophobicContact CE3-CB 3.6Å; W277-K306 HydrophobicContact CE3-CD 3.8Å; W277-K306 HydrophobicContact CE3-CG 4.33Å; W277-K306 HydrophobicContact CZ3-CB 3.74Å; N303-K306 HydrophobicContact CB-CB 4.49Å; N303-K306 HydrophobicContact CB-CD 4.14Å; N303-K306 HydrophobicContact CB-CG 3.88Å; N303-K306 WeakPolarHBondContact O-CB 3.45Å; N303-K306 PolarHBondContact O-N 2.96Å; P304-K306 PolarHBondContact O-N 3.27Å; K306-L308 VanDerWaalsContact C-N 3.26Å; K306-L308 PolarHBondContact O-N 3.02Å; K306-L308 VanDerWaalsContact O-N 3.14Å; K306-V309 PolarHBondContact O-N 3.43Å
307M98.4Very high98.7Very high4 Ų413.3 Ų13.32%0.027%0.069CC..THydrogen-bonded Turntrans-59.3-31-170.7-178.563.1143.800113.9W277 V382 A385 F410 V411 L471W277-M307 HydrophobicContact CE3-CB 4.25Å; W277-M307 HydrophobicContact CH2-CB 4.4Å; W277-M307 HydrophobicContact CH2-SD 4.19Å; W277-M307 HydrophobicContact CZ3-CB 3.74Å; W277-M307 HydrophobicContact CZ3-SD 4.45Å; M307-V382 HydrophobicContact CE-CB 4.49Å; M307-V382 HydrophobicContact CE-CG1 4.16Å; M307-V382 HydrophobicContact CE-CG2 4.49Å; M307-V382 HydrophobicContact CG-CG2 4.2Å; M307-A385 HydrophobicContact CE-CB 3.72Å; M307-A385 HydrophobicContact SD-CB 4.27Å; M307-F410 HydrophobicContact CE-CE2 3.72Å; M307-F410 HydrophobicContact CE-CZ 4.02Å; M307-V411 HydrophobicContact CE-CG1 3.99Å; M307-V411 HydrophobicContact CE-CG2 4.06Å; M307-V411 HydrophobicContact SD-CG2 4.39Å; M307-L471 HydrophobicContact SD-CB 3.74Å
308L98.3Very high98.7Very high0 Ų013.3 Ų13.30%07%0.069CC..THydrogen-bonded Turntrans-86.4-10.5-179.9-50.3-179.5000113.5S280 F283 W302 P304 K306 A310 L366 M369 L378 V382S280-L308 WeakPolarHBondContact OG-CG 3.34Å; F283-L308 HydrophobicContact CD2-CD1 4.18Å; F283-L308 HydrophobicContact CD2-CD2 4.15Å; F283-L308 HydrophobicContact CE2-CD1 3.6Å; F283-L308 HydrophobicContact CE2-CD2 4.39Å; F283-L308 HydrophobicContact CZ-CD1 4.33Å; W302-L308 HydrophobicContact CZ2-CD1 4.49Å; P304-L308 HydrophobicContact CB-CD1 4.17Å; P304-L308 WeakPolarHBondContact O-CB 3.3Å; K306-L308 VanDerWaalsContact C-N 3.26Å; K306-L308 PolarHBondContact O-N 3.02Å; K306-L308 VanDerWaalsContact O-N 3.14Å; L308-A310 VanDerWaalsContact C-N 3.32Å; L308-A310 PolarHBondContact O-N 2.91Å; L308-L366 HydrophobicContact CD1-CD1 4.45Å; L308-M369 HydrophobicContact CB-CE 3.85Å; L308-L378 HydrophobicContact CD2-CD2 4.4Å; L308-V382 HydrophobicContact CD2-CG2 4.24Å
309V98.1Very high98.7Very high8 Ų811.5 Ų11.55%0.0486%0.06CC..  trans63.834.5180-1620000112.7A96 P304 K306 G311 L471A96-V309 WeakPolarHBondContact O-CG1 3.21Å; A96-V309 WeakPolarHBondContact O-CG2 3.18Å; P304-V309 PolarHBondContact O-N 2.89Å; K306-V309 PolarHBondContact O-N 3.43Å; V309-G311 PolarHBondContact O-N 3.44Å; V309-G311 VanDerWaalsContact O-N 3.14Å; V309-L471 HydrophobicContact CG2-CD1 3.61Å
310A98.4Very high98.6Very high0 Ų016.4 Ų16.40%08%0.081CC..  trans-65-16.1176.400000113.3S102 P304 L308 C314 L366 M369S102-A310 VanDerWaalsContact OG-C 3.28Å; S102-A310 WeakPolarHBondContact OG-CA 3.15Å; S102-A310 PolarHBondContact OG-O 3.43Å; P304-A310 HydrophobicContact CB-CB 4.04Å; P304-A310 WeakPolarHBondContact O-CB 3.37Å; P304-A310 PolarHBondContact O-N 3.43Å; P304-A310 VanDerWaalsContact O-N 3.15Å; L308-A310 VanDerWaalsContact C-N 3.32Å; L308-A310 PolarHBondContact O-N 2.91Å; A310-C314 HydrophobicContact CB-CB 4.14Å; A310-L366 HydrophobicContact CB-CB 4.46Å; A310-L366 HydrophobicContact CB-CD1 4.45Å; A310-M369 HydrophobicContact CB-CE 4.07Å
311G98.2Very high98.6Very high11 Ų1117.9 Ų17.911%0.1139%0.089CC..  trans88.9142.9-17800000112.9H305 V309 Q313H305-G311 VanDerWaalsContact CB-O 3.25Å; H305-G311 WeakPolarHBondContact CB-O 3.5Å; V309-G311 PolarHBondContact O-N 3.44Å; V309-G311 VanDerWaalsContact O-N 3.14Å; G311-Q313 CarbonylContact O-C 3.36Å
312L98.3Very high98.6Very high90 Ų9022.1 Ų22.147%0.47112%0.115SC..SBendtrans-70.9144.8-175.2-68.7166.7000111.8F95 H305F95-L312 HydrophobicContact CD1-CD1 4.11Å; F95-L312 HydrophobicContact CD2-CD1 4.08Å; F95-L312 HydrophobicContact CE1-CD1 4.02Å; F95-L312 HydrophobicContact CE2-CD1 4Å; F95-L312 HydrophobicContact CG-CD1 4.14Å; F95-L312 HydrophobicContact CZ-CD1 3.97Å; H305-L312 HydrophobicContact CB-CD2 4.16Å; H305-L312 WeakPolarHBondContact CD2-CD2 3.36Å
313Q98.1Very high98.5Very high87 Ų8725.7 Ų25.741%0.40714%0.136SC..SBendcis-84.1153.8-22.6-65.3-175-50.900110.1P151 G311 D362 K365P151-Q313 VanDerWaalsContact C-CD 3.49Å; P151-Q313 VanDerWaalsContact C-NE2 3.27Å; P151-Q313 VanDerWaalsContact C-OE1 3.27Å; P151-Q313 PolarHBondContact O-NE2 3.28Å; P151-Q313 PolarHBondContact O-OE1 2.92Å; G311-Q313 CarbonylContact O-C 3.36Å; Q313-D362 VanDerWaalsContact O-CG 3.29Å; Q313-D362 VanDerWaalsContact O-OD1 3.1Å; Q313-K365 WeakPolarHBondContact O-CE 3.35Å; Q313-K365 PolarHBondContact O-NZ 2.83Å
314C98.8Very high98.4Very high0 Ų029.1 Ų29.10%016%0.155CC..  trans-161.490.8174-166.60000107.4N303 P304 H305 A310N303-C314 CarbonylContact C-O 3.47Å; N303-C314 WeakPolarHBondContact CA-O 3.19Å; P304-C314 VanDerWaalsContact CD-O 3.32Å; P304-C314 WeakPolarHBondContact CD-O 3.26Å; H305-C314 HydrophobicContact CB-CB 3.76Å; H305-C314 PolarHBondContact N-O 2.96Å; H305-C314 VanDerWaalsContact ND1-C 3.27Å; H305-C314 PolarHBondContact ND1-N 3.2Å; H305-C314 PolarHBondContact ND1-O 2.97Å; A310-C314 HydrophobicContact CB-CB 4.14Å
315S98.8Very high98.4Very high0 Ų029.7 Ų29.70%016%0.158CC..EExtended strand (participates in β ladder)trans-134.2138.2-173.3-170.20000108.4F149 C150 G152 G153 S156 W302 N303F149-S315 CarbonylContact C-O 3.32Å; F149-S315 WeakPolarHBondContact CA-O 3.44Å; C150-S315 PolarHBondContact N-O 3.08Å; C150-S315 WeakPolarHBondContact O-CB 3.35Å; G152-S315 VanDerWaalsContact C-CB 3.49Å; G152-S315 VanDerWaalsContact C-OG 3.23Å; G152-S315 PolarHBondContact O-OG 2.96Å; G153-S315 VanDerWaalsContact CA-OG 3.25Å; G153-S315 WeakPolarHBondContact CA-OG 3.48Å; G153-S315 PolarHBondContact N-OG 3.01Å; G153-S315 VanDerWaalsContact N-OG 3.11Å; S156-S315 PolarHBondContact OG-OG 2.82Å; W302-S315 CarbonylContact O-C 3.54Å; W302-S315 WeakPolarHBondContact O-CA 3.43Å; N303-S315 PolarHBondContact OD1-OG 2.85Å
316V98.9Very high98.4Very high0 Ų029 Ų290%016%0.155CC..EExtended strand (participates in β ladder)trans-121146.4177.6-590000110.5L133 L136 L148 F149 A301 W302 L318L133-V316 HydrophobicContact CD2-CB 4.01Å; L133-V316 HydrophobicContact CD2-CG1 3.88Å; L136-V316 HydrophobicContact CD1-CB 4.48Å; L136-V316 HydrophobicContact CD1-CG1 3.99Å; L136-V316 HydrophobicContact CD1-CG2 3.83Å; L148-V316 WeakPolarHBondContact O-CA 3.44Å; F149-V316 HydrophobicContact CD1-CG1 3.74Å; F149-V316 HydrophobicContact CD2-CG1 3.81Å; F149-V316 HydrophobicContact CE1-CG1 3.57Å; F149-V316 HydrophobicContact CE2-CG1 3.67Å; F149-V316 HydrophobicContact CG-CG1 3.87Å; F149-V316 HydrophobicContact CZ-CG1 3.54Å; A301-V316 WeakPolarHBondContact CA-O 3.44Å; W302-V316 HydrophobicContact CB-CG2 3.89Å; W302-V316 PolarHBondContact N-O 3.35Å; W302-V316 WeakPolarHBondContact O-CG2 3.41Å; W302-V316 PolarHBondContact O-N 3.07Å; V316-L318 HydrophobicContact CB-CD2 4.24Å; V316-L318 HydrophobicContact CG2-CD1 4.42Å; V316-L318 HydrophobicContact CG2-CD2 3.98Å; V316-L318 HydrophobicContact CG2-CG 4Å
317L98.9Very high98.3Very high0 Ų030.5 Ų30.50%016%0.161CC..EExtended strand (participates in β ladder)trans-104.6126.8156.5177.169.8000107.8G147 L148 Y159 A160 L163 L319G147-L317 CarbonylContact C-O 3.51Å; G147-L317 WeakPolarHBondContact CA-O 3.24Å; L148-L317 HydrophobicContact CD2-CD2 4.4Å; L148-L317 PolarHBondContact N-O 2.98Å; L148-L317 PolarHBondContact O-N 3.14Å; Y159-L317 VanDerWaalsContact CB-CD2 3.46Å; Y159-L317 HydrophobicContact CD1-CD2 4.39Å; Y159-L317 HydrophobicContact CG-CD2 4.31Å; A160-L317 HydrophobicContact CB-CD1 4.06Å; L163-L317 HydrophobicContact CD1-CD2 3.77Å; L317-L319 HydrophobicContact CD1-CD2 4.3Å; L317-L319 HydrophobicContact CD2-CD2 4.18Å; L317-L319 HydrophobicContact CG-CD2 4.1Å; L317-L319 HydrophobicContact CG-CG 4.48Å
318L98.9Very high98.3Very high0 Ų035.6 Ų35.60%018%0.183CC..EExtended strand (participates in β ladder)trans-110.9139.1174.2-52.5177000108.9L133 L136 R137 V140 W142 S299 V300 W302 V316L133-L318 HydrophobicContact CD2-CD2 3.65Å; L136-L318 HydrophobicContact CB-CD1 3.84Å; L136-L318 HydrophobicContact CB-CD2 4.28Å; R137-L318 HydrophobicContact CG-CB 4.2Å; R137-L318 HydrophobicContact CG-CD1 4.41Å; R137-L318 HydrophobicContact CG-CD2 4.12Å; R137-L318 HydrophobicContact CG-CG 4.47Å; V140-L318 HydrophobicContact CG2-CD1 3.93Å; W142-L318 HydrophobicContact CZ3-CB 4.01Å; S299-L318 CarbonylContact C-O 3.51Å; S299-L318 WeakPolarHBondContact CA-O 3.28Å; V300-L318 HydrophobicContact CB-CB 4.41Å; V300-L318 PolarHBondContact N-O 3.11Å; V300-L318 PolarHBondContact O-N 2.87Å; W302-L318 HydrophobicContact CE3-CD1 4.37Å; V316-L318 HydrophobicContact CB-CD2 4.24Å; V316-L318 HydrophobicContact CG2-CD1 4.42Å; V316-L318 HydrophobicContact CG2-CD2 3.98Å; V316-L318 HydrophobicContact CG2-CG 4Å
319L98.9Very high98.3Very high0 Ų035.9 Ų35.90%019%0.185CC..EExtended strand (participates in β ladder)trans-124.3145.1177.5-57.7-178.8000110.3G145 D146 L163 W270 L317 D321 L326G145-L319 VanDerWaalsContact CA-O 3.3Å; G145-L319 WeakPolarHBondContact CA-O 3.09Å; D146-L319 HydrophobicContact CB-CB 4.42Å; D146-L319 PolarHBondContact N-O 3.31Å; D146-L319 PolarHBondContact O-N 3.21Å; L163-L319 HydrophobicContact CD1-CD1 3.75Å; L163-L319 HydrophobicContact CD1-CD2 3.95Å; L163-L319 HydrophobicContact CD1-CG 4.46Å; W270-L319 HydrophobicContact CZ2-CD2 4.15Å; L317-L319 HydrophobicContact CD1-CD2 4.3Å; L317-L319 HydrophobicContact CD2-CD2 4.18Å; L317-L319 HydrophobicContact CG-CD2 4.1Å; L317-L319 HydrophobicContact CG-CG 4.48Å; L319-D321 HydrophobicContact CB-CB 4.24Å; L319-L326 HydrophobicContact CD1-CD1 3.54Å; L319-L326 HydrophobicContact CD1-CD2 4.14Å; L319-L326 HydrophobicContact CD1-CG 3.46Å; L319-L326 VanDerWaalsContact CD1-CG 3.46Å; L319-L326 HydrophobicContact CG-CD1 4.37Å
320K98.3Very high98.3Very high103 Ų10336.6 Ų36.645%0.44819%0.188SC..  trans-75.6-15167.4-166.6173.4-177.7172.20112.6W142 H295 N298W142-K320 HydrophobicContact CD2-CB 4.11Å; W142-K320 HydrophobicContact CD2-CG 4.28Å; W142-K320 HydrophobicContact CE3-CB 4.36Å; W142-K320 HydrophobicContact CG-CG 4.38Å; W142-K320 HydrophobicContact CH2-CB 4.27Å; W142-K320 HydrophobicContact CZ2-CB 4.04Å; W142-K320 HydrophobicContact CZ3-CB 4.43Å; H295-K320 PolarHBondContact O-NZ 3.01Å; N298-K320 PolarHBondContact O-N 2.92Å; N298-K320 VanDerWaalsContact O-N 3.15Å
321D98.5Very high98.1Very high31 Ų3137.3 Ų37.317%0.16619%0.193CC..  trans-64.1139.5-176.4-179.570.6000113.3G145 D146 L319 T323 D324 L325G145-D321 CarbonylContact C-O 3.51Å; G145-D321 VanDerWaalsContact CA-O 3.27Å; G145-D321 WeakPolarHBondContact CA-O 3.27Å; D146-D321 PolarHBondContact N-O 3.19Å; D146-D321 VanDerWaalsContact N-O 3.16Å; L319-D321 HydrophobicContact CB-CB 4.24Å; D321-T323 WeakPolarHBondContact OD1-CB 3.41Å; D321-T323 PolarHBondContact OD1-N 3.2Å; D321-T323 PolarHBondContact OD1-OG1 3.41Å; D321-T323 PolarHBondContact OD2-N 3.06Å; D321-T323 PolarHBondContact OD2-OG1 3.35Å; D321-D324 PolarHBondContact OD2-N 2.74Å; D321-L325 HydrophobicContact CB-CB 4.21Å; D321-L325 VanDerWaalsContact CG-CB 3.44Å; D321-L325 WeakPolarHBondContact OD2-CB 3.38Å; D321-L325 PolarHBondContact OD2-N 2.95Å
322T97.7Very high97.8Very high89 Ų8940.8 Ų40.855%0.54622%0.22SC..  trans-123.516.4174.755.20000112E144E144-T322 HydrophobicContact CB-CG2 3.76Å
323T97.8Very high97.3Very high74 Ų7442.6 Ų42.645%0.45423%0.231SC..SBendtrans-106.414.6-172.573.80000113.2D321 L325 K328D321-T323 WeakPolarHBondContact OD1-CB 3.41Å; D321-T323 PolarHBondContact OD1-N 3.2Å; D321-T323 PolarHBondContact OD1-OG1 3.41Å; D321-T323 PolarHBondContact OD2-N 3.06Å; D321-T323 PolarHBondContact OD2-OG1 3.35Å; T323-L325 VanDerWaalsContact C-N 3.3Å; T323-L325 PolarHBondContact O-N 3.45Å; T323-K328 VanDerWaalsContact O-CE 3.27Å; T323-K328 WeakPolarHBondContact O-CE 3.43Å; T323-K328 PolarHBondContact O-NZ 3.15Å
324D97.2Very high96.9Very high78 Ų7839.5 Ų39.542%0.41722%0.22SC..  trans5935.8-171.7-69.5-41.1000113.5D321 L326 K327 K328D321-D324 PolarHBondContact OD2-N 2.74Å; D324-L326 VanDerWaalsContact C-N 3.26Å; D324-L326 PolarHBondContact O-N 2.86Å; D324-K327 HydrophobicContact CB-CB 4.21Å; D324-K327 PolarHBondContact O-N 3.14Å; D324-K327 VanDerWaalsContact O-N 3.14Å; D324-K328 WeakPolarHBondContact O-CG 3.41Å; D324-K328 PolarHBondContact O-N 2.92Å
325L98.6Very high96.4Very high13 Ų1345.2 Ų45.27%0.06826%0.255CS..Hα-helixtrans-56.6-40-178.7-177.865.5000112.2L163 Y166 R167 W270 D321 T323 C329L163-L325 HydrophobicContact CB-CD2 4.35Å; L163-L325 HydrophobicContact CD2-CD2 4.27Å; L163-L325 HydrophobicContact CD2-CG 3.91Å; Y166-L325 HydrophobicContact CD1-CD1 3.77Å; Y166-L325 HydrophobicContact CE1-CD1 4.13Å; R167-L325 HydrophobicContact CB-CD1 4.38Å; W270-L325 HydrophobicContact CH2-CD2 3.64Å; W270-L325 HydrophobicContact CZ3-CD2 3.79Å; D321-L325 HydrophobicContact CB-CB 4.21Å; D321-L325 VanDerWaalsContact CG-CB 3.44Å; D321-L325 WeakPolarHBondContact OD2-CB 3.38Å; D321-L325 PolarHBondContact OD2-N 2.95Å; T323-L325 VanDerWaalsContact C-N 3.3Å; T323-L325 PolarHBondContact O-N 3.45Å; L325-C329 WeakPolarHBondContact O-CB 3.17Å; L325-C329 PolarHBondContact O-N 3.19Å
326L98.4Very high95.8Very high0 Ų053.1 Ų53.10%029%0.286CS..Hα-helixtrans-58.9-49.6176.1-85.4165000112.2D146 L148 Y159 L163 L319 D324 C329 H330 K353D146-L326 HydrophobicContact CB-CD1 4.22Å; L148-L326 HydrophobicContact CD2-CD1 3.52Å; L148-L326 HydrophobicContact CD2-CD2 3.35Å; L148-L326 HydrophobicContact CD2-CG 4.07Å; Y159-L326 HydrophobicContact CD1-CD2 4.09Å; L163-L326 HydrophobicContact CD1-CD2 3.74Å; L163-L326 HydrophobicContact CD1-CG 4.36Å; L163-L326 HydrophobicContact CD2-CD2 3.95Å; L163-L326 HydrophobicContact CD2-CG 4.32Å; L163-L326 HydrophobicContact CG-CD2 4.35Å; L319-L326 HydrophobicContact CD1-CD1 3.54Å; L319-L326 HydrophobicContact CD1-CD2 4.14Å; L319-L326 HydrophobicContact CD1-CG 3.46Å; L319-L326 VanDerWaalsContact CD1-CG 3.46Å; L319-L326 HydrophobicContact CG-CD1 4.37Å; D324-L326 VanDerWaalsContact C-N 3.26Å; D324-L326 PolarHBondContact O-N 2.86Å; L326-C329 PolarHBondContact O-N 3.46Å; L326-H330 PolarHBondContact O-N 3.41Å; L326-H330 PolarHBondContact O-ND1 2.78Å; L326-K353 HydrophobicContact CB-CB 3.93Å; L326-K353 HydrophobicContact CB-CD 4.35Å; L326-K353 HydrophobicContact CB-CG 4.12Å
327K97.3Very high95.2Very high53 Ų5354.3 Ų54.323%0.2329%0.292CS..Hα-helixtrans-64-49.9179.8-170.1174.4179.9172.90110D324 C329 H330 C331 D352 K353D324-K327 HydrophobicContact CB-CB 4.21Å; D324-K327 PolarHBondContact O-N 3.14Å; D324-K327 VanDerWaalsContact O-N 3.14Å; K327-C329 VanDerWaalsContact C-N 3.3Å; K327-C329 PolarHBondContact O-N 2.99Å; K327-H330 PolarHBondContact O-N 3.14Å; K327-C331 HydrophobicContact CG-CB 4.36Å; K327-C331 WeakPolarHBondContact O-CA 3.39Å; K327-C331 WeakPolarHBondContact O-CB 3.43Å; K327-C331 PolarHBondContact O-N 2.75Å; K327-D352 HydrophobicContact CG-CB 4.15Å; K327-K353 HydrophobicContact CB-CG 4.17Å
328K97.8Very high94.8Very high110 Ų11055.4 Ų55.448%0.47830%0.297SS..Hα-helixtrans-58.5-42179-70.7171.1179.1166.60112.1Y166 K173 T323 D324Y166-K328 HydrophobicContact CE1-CB 3.93Å; Y166-K328 PolarHBondContact OH-O 3.28Å; K173-K328 PolarHBondContact NZ-O 2.97Å; T323-K328 VanDerWaalsContact O-CE 3.27Å; T323-K328 WeakPolarHBondContact O-CE 3.43Å; T323-K328 PolarHBondContact O-NZ 3.15Å; D324-K328 WeakPolarHBondContact O-CG 3.41Å; D324-K328 PolarHBondContact O-N 2.92Å
329C98.4Very high94.5Very high7 Ų758.5 Ų58.55%0.04731%0.312CS..Hα-helixtrans-66.9-45.2179.5-1750000112.6N162 L163 Y166 K173 L325 L326 K327N162-C329 PolarHBondContact ND2-SG 3.37Å; N162-C329 VanDerWaalsContact ND2-SG 3.35Å; L163-C329 HydrophobicContact CD2-CB 3.67Å; Y166-C329 VanDerWaalsContact CB-SG 3.51Å; Y166-C329 HydrophobicContact CD1-CB 3.6Å; Y166-C329 HydrophobicContact CD2-CB 4.39Å; Y166-C329 HydrophobicContact CE1-CB 4.05Å; Y166-C329 HydrophobicContact CG-CB 3.8Å; K173-C329 WeakPolarHBondContact CD-O 3.36Å; K173-C329 WeakPolarHBondContact CE-O 3.17Å; K173-C329 PolarHBondContact NZ-O 3.18Å; L325-C329 WeakPolarHBondContact O-CB 3.17Å; L325-C329 PolarHBondContact O-N 3.19Å; L326-C329 PolarHBondContact O-N 3.46Å; K327-C329 VanDerWaalsContact C-N 3.3Å; K327-C329 PolarHBondContact O-N 2.99Å
330H98Very high94.1Very high22 Ų2264.9 Ų64.910%0.10234%0.341CS..Hα-helixtrans-105.7-16.3-168.3-57.1133.3000115.7Y159 N162 L326 K327 A332 D352 K353 V355Y159-H330 AromaticContact CD1-CE1 3.3Å; Y159-H330 WeakPolarHBondContact CD1-CE1 3.44Å; Y159-H330 AromaticContact CD1-ND1 3.89Å; Y159-H330 AromaticContact CE1-CE1 3.52Å; Y159-H330 AromaticContact CE1-ND1 3.66Å; N162-H330 PolarHBondContact ND2-CD2 3.15Å; N162-H330 PolarHBondContact ND2-NE2 3.31Å; L326-H330 PolarHBondContact O-N 3.41Å; L326-H330 PolarHBondContact O-ND1 2.78Å; K327-H330 PolarHBondContact O-N 3.14Å; H330-A332 PolarHBondContact O-N 3.49Å; H330-D352 CarbonylContact C-O 3.54Å; H330-K353 PolarHBondContact ND1-O 2.89Å; H330-V355 HydrophobicContact CB-CG1 4.5Å
331C94.5Very high93.9Very high15 Ų1566.8 Ų66.810%0.10136%0.357CS..  trans-58.8134.9-177.4173.30000112K173 K327 N333 D352K173-C331 WeakPolarHBondContact CE-O 3.39Å; K173-C331 PolarHBondContact NZ-O 2.87Å; K327-C331 HydrophobicContact CG-CB 4.36Å; K327-C331 WeakPolarHBondContact O-CA 3.39Å; K327-C331 WeakPolarHBondContact O-CB 3.43Å; K327-C331 PolarHBondContact O-N 2.75Å; C331-N333 PolarHBondContact SG-N 3.4Å; C331-N333 PolarHBondContact SG-OD1 3.27Å; C331-D352 WeakPolarHBondContact CA-OD1 3.38Å; C331-D352 HydrophobicContact CB-CB 3.92Å; C331-D352 PolarHBondContact N-O 2.86Å; C331-D352 VanDerWaalsContact N-O 3.15Å; C331-D352 PolarHBondContact SG-OD1 2.88Å; C331-D352 PolarHBondContact SG-OD2 2.85Å
332A92.6Very high93.7Very high84 Ų8466.8 Ų66.869%0.69436%0.355SS*.  trans-113.72174.500000112.8H330 A334 D352H330-A332 PolarHBondContact O-N 3.49Å; A332-A334 VanDerWaalsContact C-N 3.3Å; A332-A334 PolarHBondContact O-N 2.93Å; A332-D352 PolarHBondContact N-OD1 3.35Å
333N86.9Confident93.7Very high128 Ų12871.2 Ų71.268%0.68437%0.367SS*.  trans52.643-178.1-63-51.1000113.1C331 T335C331-N333 PolarHBondContact SG-N 3.4Å; C331-N333 PolarHBondContact SG-OD1 3.27Å; N333-T335 PolarHBondContact O-N 3.23Å; N333-T335 VanDerWaalsContact O-N 3.13Å
334A89.2Confident93.6Very high23 Ų2369.5 Ų69.519%0.1935%0.353CS..  trans-70.4106.7178.600000111.1A332 Y336 L337 F338A332-A334 VanDerWaalsContact C-N 3.3Å; A332-A334 PolarHBondContact O-N 2.93Å; A334-Y336 VanDerWaalsContact C-N 3.29Å; A334-Y336 HydrophobicContact CB-CD1 4.21Å; A334-Y336 HydrophobicContact CB-CE1 3.79Å; A334-Y336 PolarHBondContact O-N 3.49Å; A334-L337 PolarHBondContact O-N 3.4Å; A334-F338 HydrophobicContact CB-CD2 4.37Å; A334-F338 PolarHBondContact O-N 2.96Å; A334-F338 VanDerWaalsContact O-N 3.1Å
335T89.7Confident93.6Very high119 Ų11970 Ų7073%0.7336%0.356SS*.THydrogen-bonded Turntrans-69.3-21-172.354.20000114.5N333 L337N333-T335 PolarHBondContact O-N 3.23Å; N333-T335 VanDerWaalsContact O-N 3.13Å; T335-L337 VanDerWaalsContact C-N 3.27Å; T335-L337 PolarHBondContact O-N 3.48Å
336Y85.7Confident93.4Very high166 Ų16670.4 Ų70.465%0.65136%0.358SS*.THydrogen-bonded Turntrans-76.4-13.2178.269.6-96.8000113.6A334 Q339A334-Y336 VanDerWaalsContact C-N 3.29Å; A334-Y336 HydrophobicContact CB-CD1 4.21Å; A334-Y336 HydrophobicContact CB-CE1 3.79Å; A334-Y336 PolarHBondContact O-N 3.49Å; Y336-Q339 PolarHBondContact O-NE2 2.94Å
337L86.6Confident93.2Very high25 Ų2575.7 Ų75.713%0.13139%0.386CS..THydrogen-bonded Turntrans-122.1-36.8-173.2-158.864.2000113.1F117 A334 T335 Q339 K342F117-L337 HydrophobicContact CD2-CD1 3.71Å; F117-L337 HydrophobicContact CD2-CD2 3.91Å; F117-L337 HydrophobicContact CD2-CG 3.71Å; F117-L337 HydrophobicContact CE1-CD1 4.34Å; F117-L337 HydrophobicContact CE2-CD1 3.25Å; F117-L337 HydrophobicContact CE2-CD2 4.32Å; F117-L337 HydrophobicContact CE2-CG 3.77Å; F117-L337 HydrophobicContact CG-CD2 4.21Å; F117-L337 HydrophobicContact CG-CG 4.48Å; F117-L337 HydrophobicContact CZ-CD1 3.62Å; A334-L337 PolarHBondContact O-N 3.4Å; T335-L337 VanDerWaalsContact C-N 3.27Å; T335-L337 PolarHBondContact O-N 3.48Å; L337-Q339 VanDerWaalsContact C-OE1 3.26Å; L337-Q339 PolarHBondContact O-OE1 3.21Å; L337-Q339 VanDerWaalsContact O-OE1 3.06Å; L337-K342 PolarHBondContact O-NZ 2.94Å; L337-K342 VanDerWaalsContact O-NZ 3.16Å
338F90Very high93.1Very high23 Ų2375.7 Ų75.710%0.10139%0.389CS..  trans-115.258.4-176.4-51.7-65.5000110.9T118 A334 Q340 D349 D352T118-F338 HydrophobicContact CG2-CD1 4.23Å; T118-F338 HydrophobicContact CG2-CE1 4.24Å; A334-F338 HydrophobicContact CB-CD2 4.37Å; A334-F338 PolarHBondContact O-N 2.96Å; A334-F338 VanDerWaalsContact O-N 3.1Å; F338-Q340 PolarHBondContact O-N 3.25Å; F338-Q340 PolarHBondContact O-NE2 3.39Å; F338-D349 HydrophobicContact CD1-CB 4.29Å; F338-D352 WeakPolarHBondContact CD2-OD2 3.33Å; F338-D352 HydrophobicContact CE2-CB 4.48Å; F338-D352 WeakPolarHBondContact CE2-OD1 3.47Å
339Q91.8Very high93.1Very high66 Ų6671 Ų7131%0.30837%0.369SS..  trans-58.3134.1171.8-58.885-1000109.8Y336 L337 D341 K342Y336-Q339 PolarHBondContact O-NE2 2.94Å; L337-Q339 VanDerWaalsContact C-OE1 3.26Å; L337-Q339 PolarHBondContact O-OE1 3.21Å; L337-Q339 VanDerWaalsContact O-OE1 3.06Å; Q339-D341 WeakPolarHBondContact CB-OD1 3.36Å; Q339-K342 HydrophobicContact CB-CG 3.95Å; Q339-K342 WeakPolarHBondContact O-CG 3.46Å
340Q92Very high93Very high133 Ų13371.9 Ų71.962%0.62137%0.373SS*.SBendtrans-91.2-11.6-177.4-60.3-57.2-66.300112.9F338F338-Q340 PolarHBondContact O-N 3.25Å; F338-Q340 PolarHBondContact O-NE2 3.39Å
341D92.9Very high92.9Very high144 Ų14471.1 Ų71.177%0.7737%0.371SS*.SBendtrans-100.621.2-177.959.1-30.6000112.8Q339Q339-D341 WeakPolarHBondContact CB-OD1 3.36Å
342K95.4Very high92.9Very high30 Ų3071 Ų7113%0.1337%0.37CS..  trans-66156.4174.6-61.8-174.6-170.9176.60111.3E120 L337 Q339 Y344 V346 D349E120-K342 IonicContact OE2-NZ 2.93Å; L337-K342 PolarHBondContact O-NZ 2.94Å; L337-K342 VanDerWaalsContact O-NZ 3.16Å; Q339-K342 HydrophobicContact CB-CG 3.95Å; Q339-K342 WeakPolarHBondContact O-CG 3.46Å; K342-Y344 HydrophobicContact CB-CD1 4.08Å; K342-Y344 HydrophobicContact CB-CE1 3.88Å; K342-Y344 HydrophobicContact CD-CE1 3.58Å; K342-Y344 HydrophobicContact CD-CE2 4.36Å; K342-Y344 VanDerWaalsContact CD-CZ 3.46Å; K342-Y344 WeakPolarHBondContact CD-OH 3.46Å; K342-Y344 HydrophobicContact CG-CE1 4.3Å; K342-Y344 PolarHBondContact NZ-OH 3.49Å; K342-Y344 PolarHBondContact O-N 3.24Å; K342-V346 HydrophobicContact CB-CG1 3.86Å; K342-V346 HydrophobicContact CD-CG1 4.29Å; K342-V346 HydrophobicContact CG-CG1 4.23Å; K342-D349 IonicContact NZ-OD2 3.84Å; K342-D349 PolarHBondContact NZ-OD2 2.9Å
343F96.5Very high93.1Very high183 Ų18368.6 Ų68.680%0.80334%0.343SS*.SBendtrans-80.212.7-177.662.3-90.9000114.4
344Y97.1Very high93.6Very high38 Ų3862.9 Ų62.915%0.14931%0.314CS..SBendtrans-139.1172.3177.864.7-93.1000110.7Y119 E120 K342 V346 D349Y119-Y344 AromaticContact CD1-CD2 3.93Å; Y119-Y344 HydrophobicContact CD1-CD2 3.93Å; Y119-Y344 HydrophobicContact CD1-CE2 4.13Å; Y119-Y344 HydrophobicContact CD1-CG 4.21Å; Y119-Y344 HydrophobicContact CG-CD2 4.4Å; Y119-Y344 HydrophobicContact CG-CE2 4.32Å; E120-Y344 HydrophobicContact CB-CE1 3.88Å; E120-Y344 WeakPolarHBondContact CB-OH 3.47Å; E120-Y344 PolarHBondContact N-OH 3.21Å; K342-Y344 HydrophobicContact CB-CD1 4.08Å; K342-Y344 HydrophobicContact CB-CE1 3.88Å; K342-Y344 HydrophobicContact CD-CE1 3.58Å; K342-Y344 HydrophobicContact CD-CE2 4.36Å; K342-Y344 VanDerWaalsContact CD-CZ 3.46Å; K342-Y344 WeakPolarHBondContact CD-OH 3.46Å; K342-Y344 HydrophobicContact CG-CE1 4.3Å; K342-Y344 PolarHBondContact NZ-OH 3.49Å; K342-Y344 PolarHBondContact O-N 3.24Å; Y344-V346 PolarHBondContact O-N 2.91Å; Y344-D349 WeakPolarHBondContact CE2-OD1 3.25Å; Y344-D349 PolarHBondContact OH-OD1 3.28Å; Y344-D349 VanDerWaalsContact OH-OD1 3.07Å; Y344-D349 PolarHBondContact OH-OD2 3.45Å
345D96.8Very high94Very high89 Ų8966.3 Ų66.348%0.47633%0.332SS..  trans-66.3102.2176.7-1789.1000111.9N347 L348D345-N347 PolarHBondContact O-N 3.38Å; D345-N347 VanDerWaalsContact O-N 3.11Å; D345-N347 VanDerWaalsContact OD1-CB 3.29Å; D345-N347 WeakPolarHBondContact OD1-CB 3.27Å; D345-N347 PolarHBondContact OD1-N 3.48Å; D345-N347 PolarHBondContact OD1-ND2 2.8Å; D345-L348 WeakPolarHBondContact O-CB 3.39Å; D345-L348 PolarHBondContact O-N 3.27Å; D345-L348 VanDerWaalsContact O-N 3.1Å
346V94.8Very high94.4Very high21 Ų2163.2 Ų63.213%0.12731%0.309CS..G310 helixtrans-65.4-9.7-179.6-62.30000113.7K342 Y344 L348 D349K342-V346 HydrophobicContact CB-CG1 3.86Å; K342-V346 HydrophobicContact CD-CG1 4.29Å; K342-V346 HydrophobicContact CG-CG1 4.23Å; Y344-V346 PolarHBondContact O-N 2.91Å; V346-L348 PolarHBondContact O-N 3.2Å; V346-D349 WeakPolarHBondContact O-CB 3.47Å; V346-D349 PolarHBondContact O-N 3.1Å
347N93.4Very high94.9Very high110 Ų11058.7 Ų58.759%0.58830%0.301SS*.G310 helixtrans-68.6-15.8171.9-62.2-55.5000112.7D345D345-N347 PolarHBondContact O-N 3.38Å; D345-N347 VanDerWaalsContact O-N 3.11Å; D345-N347 VanDerWaalsContact OD1-CB 3.29Å; D345-N347 WeakPolarHBondContact OD1-CB 3.27Å; D345-N347 PolarHBondContact OD1-N 3.48Å; D345-N347 PolarHBondContact OD1-ND2 2.8Å
348L96.1Very high95.4Very high54 Ų5461.2 Ų61.228%0.28332%0.321SS..G310 helixtrans-74.4-14.9170.1-62.5174.1000112.7Y119 V126 L127 D345 V346 I350Y119-L348 HydrophobicContact CD2-CB 4.29Å; Y119-L348 HydrophobicContact CD2-CD1 3.86Å; Y119-L348 HydrophobicContact CE2-CD1 4.18Å; Y119-L348 HydrophobicContact CG-CB 4.25Å; Y119-L348 HydrophobicContact CG-CD1 4.05Å; V126-L348 HydrophobicContact CG1-CB 4.26Å; V126-L348 VanDerWaalsContact CG1-O 3.25Å; V126-L348 WeakPolarHBondContact CG1-O 3.4Å; L127-L348 HydrophobicContact CD2-CD2 4.39Å; D345-L348 WeakPolarHBondContact O-CB 3.39Å; D345-L348 PolarHBondContact O-N 3.27Å; D345-L348 VanDerWaalsContact O-N 3.1Å; V346-L348 PolarHBondContact O-N 3.2Å; L348-I350 PolarHBondContact O-N 3.45Å
349D96.7Very high95.7Very high11 Ų1160.7 Ų60.76%0.05932%0.318CS..  trans-76.8117.2174.7-68-13.1000109.9T118 Y119 F338 K342 Y344 V346T118-D349 WeakPolarHBondContact CA-OD1 3.48Å; T118-D349 WeakPolarHBondContact CB-OD1 3.28Å; T118-D349 HydrophobicContact CG2-CB 4.04Å; T118-D349 VanDerWaalsContact CG2-CG 3.42Å; T118-D349 WeakPolarHBondContact CG2-OD2 3.37Å; Y119-D349 PolarHBondContact N-OD1 3.21Å; F338-D349 HydrophobicContact CD1-CB 4.29Å; K342-D349 IonicContact NZ-OD2 3.84Å; K342-D349 PolarHBondContact NZ-OD2 2.9Å; Y344-D349 WeakPolarHBondContact CE2-OD1 3.25Å; Y344-D349 PolarHBondContact OH-OD1 3.28Å; Y344-D349 VanDerWaalsContact OH-OD1 3.07Å; Y344-D349 PolarHBondContact OH-OD2 3.45Å; V346-D349 WeakPolarHBondContact O-CB 3.47Å; V346-D349 PolarHBondContact O-N 3.1Å
350I96.2Very high96Very high25 Ų2561.9 Ų61.913%0.12832%0.322CS..  trans-108.3-2.3-170.157.4-176.4000113.6L116 F117 V126 E129 L348 D352 K353L116-I350 HydrophobicContact CG-CD1 4.29Å; F117-I350 PolarHBondContact O-N 2.97Å; V126-I350 HydrophobicContact CG2-CD1 4.23Å; E129-I350 WeakPolarHBondContact OE1-CD1 3.48Å; L348-I350 PolarHBondContact O-N 3.45Å; I350-D352 VanDerWaalsContact C-N 3.32Å; I350-D352 PolarHBondContact O-N 3.15Å; I350-K353 VanDerWaalsContact O-CB 3.31Å; I350-K353 WeakPolarHBondContact O-CB 3.44Å; I350-K353 PolarHBondContact O-N 3.45Å; I350-K353 VanDerWaalsContact O-N 3.08Å
351G95.7Very high96.3Very high6 Ų655.7 Ų55.76%0.06229%0.293CS..G310 helixtrans-60-38.8-177.100000113.5F117 K353 S354F117-G351 PolarHBondContact O-N 3.24Å; G351-K353 PolarHBondContact O-N 3.29Å; G351-K353 VanDerWaalsContact O-N 3.1Å; G351-S354 PolarHBondContact O-N 3.38Å
352D95.2Very high96.6Very high14 Ų1449.3 Ų49.38%0.07526%0.259CS..G310 helixtrans-68.3-7.1177.7-93.7-30.9000114.4K327 H330 C331 A332 F338 I350 S354K327-D352 HydrophobicContact CG-CB 4.15Å; H330-D352 CarbonylContact C-O 3.54Å; C331-D352 WeakPolarHBondContact CA-OD1 3.38Å; C331-D352 HydrophobicContact CB-CB 3.92Å; C331-D352 PolarHBondContact N-O 2.86Å; C331-D352 VanDerWaalsContact N-O 3.15Å; C331-D352 PolarHBondContact SG-OD1 2.88Å; C331-D352 PolarHBondContact SG-OD2 2.85Å; A332-D352 PolarHBondContact N-OD1 3.35Å; F338-D352 WeakPolarHBondContact CD2-OD2 3.33Å; F338-D352 HydrophobicContact CE2-CB 4.48Å; F338-D352 WeakPolarHBondContact CE2-OD1 3.47Å; I350-D352 VanDerWaalsContact C-N 3.32Å; I350-D352 PolarHBondContact O-N 3.15Å; D352-S354 VanDerWaalsContact C-N 3.31Å
353K97.4Very high96.8Very high32 Ų3247.9 Ų47.914%0.13925%0.253CS..G310 helixtrans-80.9-13.7171-62.8-170.4178.8-159.40112.6D146 L326 K327 H330 I350 G351D146-K353 IonicContact OD1-NZ 2.73Å; D146-K353 PolarHBondContact OD1-NZ 2.8Å; D146-K353 IonicContact OD2-NZ 3.3Å; D146-K353 PolarHBondContact OD2-NZ 2.84Å; L326-K353 HydrophobicContact CB-CB 3.93Å; L326-K353 HydrophobicContact CB-CD 4.35Å; L326-K353 HydrophobicContact CB-CG 4.12Å; K327-K353 HydrophobicContact CB-CG 4.17Å; H330-K353 PolarHBondContact ND1-O 2.89Å; I350-K353 VanDerWaalsContact O-CB 3.31Å; I350-K353 WeakPolarHBondContact O-CB 3.44Å; I350-K353 PolarHBondContact O-N 3.45Å; I350-K353 VanDerWaalsContact O-N 3.08Å; G351-K353 PolarHBondContact O-N 3.29Å; G351-K353 VanDerWaalsContact O-N 3.1Å
354S96.9Very high96.9Very high9 Ų939.5 Ų39.56%0.06322%0.217CC..SBendtrans-114.8144.9-168.9164.90000111.6Y159 G351 D352 Q356Y159-S354 VanDerWaalsContact OH-CA 3.3Å; Y159-S354 WeakPolarHBondContact OH-CA 3.2Å; Y159-S354 PolarHBondContact OH-OG 3.13Å; Y159-S354 VanDerWaalsContact OH-OG 3.12Å; G351-S354 PolarHBondContact O-N 3.38Å; D352-S354 VanDerWaalsContact C-N 3.31Å; S354-Q356 VanDerWaalsContact C-N 3.25Å; S354-Q356 WeakPolarHBondContact OG-CA 3.42Å; S354-Q356 WeakPolarHBondContact OG-CB 3.33Å; S354-Q356 PolarHBondContact OG-N 3.43Å; S354-Q356 PolarHBondContact OG-O 3.18Å
355V97.3Very high96.9Very high95 Ų9538 Ų3858%0.57621%0.211SC*.SBendtrans-75.7-15.1166.9-53.40000112.5Y159 H330Y159-V355 HydrophobicContact CE1-CG1 4.44Å; Y159-V355 HydrophobicContact CE2-CG2 3.73Å; Y159-V355 WeakPolarHBondContact OH-CG2 3.49Å; Y159-V355 PolarHBondContact OH-N 3.13Å; H330-V355 HydrophobicContact CB-CG1 4.5Å
356Q97.8Very high97Very high54 Ų5433.8 Ų33.825%0.25219%0.188SC..  trans-84.5137.3170.4-57173.5-92.800110S354S354-Q356 VanDerWaalsContact C-N 3.25Å; S354-Q356 WeakPolarHBondContact OG-CA 3.42Å; S354-Q356 WeakPolarHBondContact OG-CB 3.33Å; S354-Q356 PolarHBondContact OG-N 3.43Å; S354-Q356 PolarHBondContact OG-O 3.18Å
357C95.9Very high97.2Very high70 Ų7036.4 Ų36.447%0.47320%0.196SC..SBendtrans-73.7-69.8164.1-179.20000109.9
358S96.9Very high97.5Very high79 Ų7933.7 Ų33.755%0.55218%0.181SC*.SBendtrans-80.8130.8175.6-60.30000111.5N115N115-S358 WeakPolarHBondContact ND2-CA 3.44Å; N115-S358 VanDerWaalsContact ND2-CB 3.26Å; N115-S358 WeakPolarHBondContact ND2-CB 3.4Å; N115-S358 PolarHBondContact ND2-OG 2.99Å; N115-S358 VanDerWaalsContact OD1-CA 3.29Å; N115-S358 WeakPolarHBondContact OD1-CA 3.34Å
359R97.7Very high97.6Very high12 Ų1231.1 Ų31.15%0.04517%0.168CC..  trans-136.1130.8-177-163.6164.863.496.90.7111.1N115 L116 E129N115-R359 PolarHBondContact OD1-N 2.85Å; N115-R359 PolarHBondContact OD1-O 2.76Å; L116-R359 HydrophobicContact CB-CB 4.48Å; L116-R359 PolarHBondContact N-O 2.84Å; L116-R359 PolarHBondContact O-NE 3.02Å; L116-R359 PolarHBondContact O-NH2 3.48Å; E129-R359 VanDerWaalsContact CD-NH1 3.3Å; E129-R359 IonicContact OE1-CZ 3.74Å; E129-R359 VanDerWaalsContact OE1-CZ 3.31Å; E129-R359 IonicContact OE1-NH1 2.8Å; E129-R359 PolarHBondContact OE1-NH1 3.22Å; E129-R359 IonicContact OE1-NH2 2.89Å; E129-R359 PolarHBondContact OE1-NH2 3.4Å; E129-R359 IonicContact OE2-CZ 3.84Å; E129-R359 IonicContact OE2-NH1 3.25Å; E129-R359 PolarHBondContact OE2-NH1 2.9Å; E129-R359 IonicContact OE2-NH2 2.8Å
360K97.8Very high97.7Very high91 Ų9132.4 Ų32.440%0.39617%0.172SC..  trans-70.9149.6179.7-165.5178.9-173.276.30110.8E110 D362E110-K360 WeakPolarHBondContact OE1-CE 3.38Å; E110-K360 IonicContact OE1-NZ 3.69Å; E110-K360 PolarHBondContact OE1-NZ 2.76Å; E110-K360 IonicContact OE2-NZ 3.55Å; E110-K360 PolarHBondContact OE2-NZ 2.68Å; K360-D362 PolarHBondContact O-N 3.01Å; K360-D362 VanDerWaalsContact O-N 3.13Å
361V98.6Very high97.9Very high2 Ų238 Ų381%0.01220%0.195CC..  trans-7693.7169.8178.50000109.8S109 T114 L116 F125 L364S109-V361 PolarHBondContact OG-O 3.32Å; T114-V361 HydrophobicContact CG2-CG2 4.05Å; L116-V361 HydrophobicContact CB-CG2 4.28Å; L116-V361 HydrophobicContact CD1-CG2 4.49Å; F125-V361 HydrophobicContact CB-CG1 3.95Å; F125-V361 HydrophobicContact CB-CG2 4.11Å; F125-V361 HydrophobicContact CD1-CG1 3.47Å; F125-V361 VanDerWaalsContact CD1-CG1 3.47Å; F125-V361 HydrophobicContact CD2-CB 4.38Å; F125-V361 HydrophobicContact CD2-CG1 3.94Å; F125-V361 HydrophobicContact CD2-CG2 3.54Å; F125-V361 HydrophobicContact CE1-CG1 3.89Å; F125-V361 HydrophobicContact CE2-CG1 4.3Å; F125-V361 HydrophobicContact CE2-CG2 4.07Å; F125-V361 HydrophobicContact CG-CB 4.34Å; F125-V361 HydrophobicContact CG-CG1 3.5Å; F125-V361 VanDerWaalsContact CG-CG1 3.5Å; F125-V361 HydrophobicContact CG-CG2 3.83Å; F125-V361 HydrophobicContact CZ-CG1 4.26Å; V361-L364 HydrophobicContact CG1-CB 3.99Å
362D98.6Very high98Very high10 Ų1040 Ų405%0.05321%0.211CC..  trans-96.6-13177.1-77.7-29.5000113.8F149 Q313 K360 K365F149-D362 HydrophobicContact CB-CB 4.45Å; F149-D362 HydrophobicContact CD1-CB 3.67Å; F149-D362 HydrophobicContact CE1-CB 4.31Å; F149-D362 HydrophobicContact CG-CB 4.33Å; Q313-D362 VanDerWaalsContact O-CG 3.29Å; Q313-D362 VanDerWaalsContact O-OD1 3.1Å; K360-D362 PolarHBondContact O-N 3.01Å; K360-D362 VanDerWaalsContact O-N 3.13Å; D362-K365 WeakPolarHBondContact O-CE 3.29Å; D362-K365 WeakPolarHBondContact O-CG 3.16Å; D362-K365 IonicContact OD1-NZ 3.91Å; D362-K365 PolarHBondContact OD1-NZ 2.78Å
363C98.7Very high98.2Very high0 Ų041.3 Ų41.30%022%0.219CC..Hα-helixtrans-72.6-33.5-177.864.10000113.1E129 F149 K365 L366 W367E129-C363 HydrophobicContact CB-CB 3.98Å; E129-C363 HydrophobicContact CG-CB 4.5Å; F149-C363 HydrophobicContact CD2-CB 4.49Å; F149-C363 HydrophobicContact CE2-CB 3.91Å; F149-C363 HydrophobicContact CZ-CB 3.96Å; C363-K365 PolarHBondContact O-N 3.43Å; C363-L366 PolarHBondContact O-N 3Å; C363-W367 VanDerWaalsContact O-CB 3.29Å; C363-W367 WeakPolarHBondContact O-CB 3.38Å; C363-W367 PolarHBondContact O-N 3.12Å
364L98.9Very high98.2Very high8 Ų841.1 Ų41.14%0.04223%0.227CC..Hα-helixtrans-58.8-48.1-173.1174.161.3000113.2G105 L108 F125 M128 V361 L366 W367 L368G105-L364 VanDerWaalsContact O-CD2 3.29Å; G105-L364 WeakPolarHBondContact O-CD2 3.34Å; L108-L364 HydrophobicContact CB-CD2 4.1Å; L108-L364 HydrophobicContact CD2-CD2 4.03Å; L108-L364 HydrophobicContact CG-CD2 4.01Å; F125-L364 HydrophobicContact CD1-CB 4.45Å; F125-L364 HydrophobicContact CE1-CB 4.19Å; F125-L364 HydrophobicContact CE1-CD1 4.38Å; F125-L364 HydrophobicContact CE1-CD2 3.91Å; F125-L364 HydrophobicContact CE1-CG 4.38Å; F125-L364 HydrophobicContact CZ-CD2 4.35Å; M128-L364 HydrophobicContact CE-CD1 3.91Å; M128-L364 VanDerWaalsContact SD-CA 3.54Å; M128-L364 HydrophobicContact SD-CB 4.07Å; M128-L364 HydrophobicContact SD-CD1 3.8Å; V361-L364 HydrophobicContact CG1-CB 3.99Å; L364-L366 PolarHBondContact O-N 3.43Å; L364-W367 PolarHBondContact O-N 2.98Å; L364-L368 VanDerWaalsContact O-CB 3.28Å; L364-L368 WeakPolarHBondContact O-CB 3.11Å; L364-L368 PolarHBondContact O-N 2.65Å
365K98.8Very high98.3Very high7 Ų743.6 Ų43.63%0.0324%0.244CC..Hα-helixtrans-63.7-40.8-177.865.9-163.6168.4-1540112.4S102 R106 Q313 D362 C363 M369S102-K365 WeakPolarHBondContact O-CB 3.39Å; S102-K365 WeakPolarHBondContact OG-CB 3.49Å; S102-K365 PolarHBondContact OG-O 2.84Å; S102-K365 VanDerWaalsContact OG-O 3.13Å; R106-K365 HydrophobicContact CG-CB 3.96Å; R106-K365 HydrophobicContact CG-CD 3.54Å; R106-K365 HydrophobicContact CG-CG 4.42Å; Q313-K365 WeakPolarHBondContact O-CE 3.35Å; Q313-K365 PolarHBondContact O-NZ 2.83Å; D362-K365 WeakPolarHBondContact O-CE 3.29Å; D362-K365 WeakPolarHBondContact O-CG 3.16Å; D362-K365 IonicContact OD1-NZ 3.91Å; D362-K365 PolarHBondContact OD1-NZ 2.78Å; C363-K365 PolarHBondContact O-N 3.43Å; K365-M369 WeakPolarHBondContact O-CB 3.35Å; K365-M369 PolarHBondContact O-N 3.34Å; K365-M369 VanDerWaalsContact O-N 3.15Å
366L98.9Very high98.4Very high0 Ų041.8 Ų41.80%024%0.239CC..Hα-helixtrans-68.7-47.4174.2175.555.9000111.6V132 L136 F149 P304 L308 A310 C363 L364 L368 M369 W370V132-L366 HydrophobicContact CG1-CD2 3.68Å; V132-L366 HydrophobicContact CG1-CG 4.21Å; L136-L366 HydrophobicContact CD1-CD2 4.35Å; F149-L366 HydrophobicContact CE1-CD2 4.45Å; F149-L366 HydrophobicContact CZ-CD2 4.25Å; P304-L366 HydrophobicContact CB-CD1 3.93Å; P304-L366 HydrophobicContact CB-CD2 3.69Å; P304-L366 HydrophobicContact CB-CG 4.38Å; P304-L366 HydrophobicContact CG-CD2 3.56Å; L308-L366 HydrophobicContact CD1-CD1 4.45Å; A310-L366 HydrophobicContact CB-CB 4.46Å; A310-L366 HydrophobicContact CB-CD1 4.45Å; C363-L366 PolarHBondContact O-N 3Å; L364-L366 PolarHBondContact O-N 3.43Å; L366-L368 VanDerWaalsContact C-N 3.32Å; L366-L368 PolarHBondContact O-N 2.6Å; L366-M369 HydrophobicContact CD1-CE 3.5Å; L366-M369 VanDerWaalsContact CD1-CE 3.5Å; L366-M369 PolarHBondContact O-N 2.89Å; L366-W370 HydrophobicContact CD1-CE3 4.49Å; L366-W370 VanDerWaalsContact O-CB 3.29Å; L366-W370 WeakPolarHBondContact O-CB 3.35Å; L366-W370 PolarHBondContact O-N 2.82Å
367W98.9Very high98.4Very high76 Ų7639.9 Ų39.929%0.28823%0.233SC..Hα-helixtrans-58.3-45.2179.4-179.893000111.4M128 V132 C363 L364 W370 K371M128-W367 HydrophobicContact CE-CD2 3.67Å; M128-W367 HydrophobicContact CE-CE3 3.66Å; M128-W367 HydrophobicContact CE-CG 4.11Å; M128-W367 HydrophobicContact CE-CH2 4.39Å; M128-W367 HydrophobicContact CE-CZ2 4.37Å; M128-W367 HydrophobicContact CE-CZ3 4.05Å; M128-W367 HydrophobicContact CG-CB 3.72Å; M128-W367 HydrophobicContact CG-CD2 4.09Å; M128-W367 HydrophobicContact CG-CG 3.52Å; M128-W367 HydrophobicContact SD-CB 3.65Å; M128-W367 HydrophobicContact SD-CD2 3.88Å; M128-W367 HydrophobicContact SD-CE3 4.12Å; M128-W367 HydrophobicContact SD-CG 3.69Å; V132-W367 HydrophobicContact CG2-CB 3.77Å; V132-W367 HydrophobicContact CG2-CG 4.24Å; C363-W367 VanDerWaalsContact O-CB 3.29Å; C363-W367 WeakPolarHBondContact O-CB 3.38Å; C363-W367 PolarHBondContact O-N 3.12Å; L364-W367 PolarHBondContact O-N 2.98Å; W367-W370 PolarHBondContact O-N 2.84Å; W367-K371 HydrophobicContact CD2-CG 3.87Å; W367-K371 HydrophobicContact CE3-CG 4.01Å; W367-K371 HydrophobicContact CH2-CG 3.86Å; W367-K371 HydrophobicContact CZ2-CD 4.11Å; W367-K371 HydrophobicContact CZ2-CG 3.72Å; W367-K371 HydrophobicContact CZ3-CG 4Å; W367-K371 WeakPolarHBondContact O-CB 3.34Å; W367-K371 WeakPolarHBondContact O-CG 3.35Å; W367-K371 PolarHBondContact O-N 3.42Å
368L98.9Very high98.6Very high53 Ų5336.5 Ų36.528%0.27721%0.211SC..Hα-helixtrans-68.7-42.5-177.7-170.259.8000111.7H101 A104 L364 L366 W370 K371 A372H101-L368 WeakPolarHBondContact O-CD2 3.47Å; A104-L368 HydrophobicContact CB-CD2 4.44Å; L364-L368 VanDerWaalsContact O-CB 3.28Å; L364-L368 WeakPolarHBondContact O-CB 3.11Å; L364-L368 PolarHBondContact O-N 2.65Å; L366-L368 VanDerWaalsContact C-N 3.32Å; L366-L368 PolarHBondContact O-N 2.6Å; L368-W370 VanDerWaalsContact C-N 3.35Å; L368-K371 PolarHBondContact O-N 3.43Å; L368-A372 WeakPolarHBondContact O-CB 3.36Å; L368-A372 PolarHBondContact O-N 2.61Å
369M98.8Very high98.7Very high0 Ų034.4 Ų34.40%019%0.192CC..Hα-helixtrans-58.2-47.4170.9176.8-176.966.800111.3D99 L308 A310 K365 L366 K371 A372 V373 L378 R381D99-M369 HydrophobicContact CB-SD 4.14Å; L308-M369 HydrophobicContact CB-CE 3.85Å; A310-M369 HydrophobicContact CB-CE 4.07Å; K365-M369 WeakPolarHBondContact O-CB 3.35Å; K365-M369 PolarHBondContact O-N 3.34Å; K365-M369 VanDerWaalsContact O-N 3.15Å; L366-M369 HydrophobicContact CD1-CE 3.5Å; L366-M369 VanDerWaalsContact CD1-CE 3.5Å; L366-M369 PolarHBondContact O-N 2.89Å; M369-K371 VanDerWaalsContact C-N 3.34Å; M369-K371 PolarHBondContact O-N 2.94Å; M369-A372 PolarHBondContact O-N 3.41Å; M369-A372 VanDerWaalsContact O-N 3.14Å; M369-V373 WeakPolarHBondContact O-CG2 3.3Å; M369-V373 PolarHBondContact O-N 3.43Å; M369-V373 VanDerWaalsContact O-N 3.09Å; M369-L378 HydrophobicContact CE-CD2 4.03Å; M369-L378 HydrophobicContact CG-CD2 4.47Å; M369-L378 HydrophobicContact SD-CD2 4.35Å; M369-R381 PolarHBondContact SD-NH1 3.02Å
370W98.8Very high98.7Very high38 Ų3840.3 Ų40.314%0.14422%0.22CC..Hα-helixtrans-65.2-38-179.5-159.6-15.5000111.5L136 L139 F283 L366 W367 L368 A372 G374 S375 L378L136-W370 HydrophobicContact CD2-CH2 3.85Å; L136-W370 HydrophobicContact CD2-CZ3 3.62Å; L136-W370 HydrophobicContact CG-CH2 4.32Å; L136-W370 HydrophobicContact CG-CZ3 3.97Å; L139-W370 HydrophobicContact CD1-CH2 4.06Å; L139-W370 HydrophobicContact CD1-CZ2 4.22Å; F283-W370 HydrophobicContact CE1-CD2 4.43Å; F283-W370 AromaticContact CE1-CE2 3.61Å; F283-W370 AromaticContact CE1-CH2 3.99Å; F283-W370 HydrophobicContact CE1-CH2 3.99Å; F283-W370 AromaticContact CE1-CZ2 3.36Å; F283-W370 HydrophobicContact CE1-CZ2 3.36Å; F283-W370 AromaticContact CE1-NE1 3.88Å; F283-W370 HydrophobicContact CZ-CD2 4.29Å; F283-W370 AromaticContact CZ-CE2 3.82Å; F283-W370 HydrophobicContact CZ-CE3 4.39Å; F283-W370 AromaticContact CZ-CH2 3.61Å; F283-W370 HydrophobicContact CZ-CH2 3.61Å; F283-W370 AromaticContact CZ-CZ2 3.48Å; F283-W370 HydrophobicContact CZ-CZ2 3.48Å; F283-W370 VanDerWaalsContact CZ-CZ2 3.48Å; F283-W370 HydrophobicContact CZ-CZ3 4.08Å; L366-W370 HydrophobicContact CD1-CE3 4.49Å; L366-W370 VanDerWaalsContact O-CB 3.29Å; L366-W370 WeakPolarHBondContact O-CB 3.35Å; L366-W370 PolarHBondContact O-N 2.82Å; W367-W370 PolarHBondContact O-N 2.84Å; L368-W370 VanDerWaalsContact C-N 3.35Å; W370-A372 VanDerWaalsContact C-N 3.33Å; W370-A372 PolarHBondContact O-N 3.46Å; W370-G374 WeakPolarHBondContact O-CA 3.39Å; W370-G374 PolarHBondContact O-N 2.94Å; W370-S375 PolarHBondContact NE1-OG 3.09Å; W370-L378 HydrophobicContact CB-CD1 4.31Å; W370-L378 HydrophobicContact CD2-CD1 4.01Å; W370-L378 HydrophobicContact CG-CD1 3.77Å
371K98.8Very high98.7Very high143 Ų14338.2 Ų38.262%0.62221%0.21SC*.Hα-helixtrans-62.3-39.2171.5-77-65.7-171.5-178.50112.5W367 L368 M369W367-K371 HydrophobicContact CD2-CG 3.87Å; W367-K371 HydrophobicContact CE3-CG 4.01Å; W367-K371 HydrophobicContact CH2-CG 3.86Å; W367-K371 HydrophobicContact CZ2-CD 4.11Å; W367-K371 HydrophobicContact CZ2-CG 3.72Å; W367-K371 HydrophobicContact CZ3-CG 4Å; W367-K371 WeakPolarHBondContact O-CB 3.34Å; W367-K371 WeakPolarHBondContact O-CG 3.35Å; W367-K371 PolarHBondContact O-N 3.42Å; L368-K371 PolarHBondContact O-N 3.43Å; M369-K371 VanDerWaalsContact C-N 3.34Å; M369-K371 PolarHBondContact O-N 2.94Å
372A98.8Very high98.7Very high47 Ų4738.1 Ų38.139%0.38821%0.209SC..Hα-helixtrans-69.8-40.7-177.300000113.3H101 L368 M369 W370H101-A372 HydrophobicContact CB-CB 3.98Å; H101-A372 VanDerWaalsContact CD2-CB 3.42Å; H101-A372 WeakPolarHBondContact CD2-CB 3.2Å; H101-A372 VanDerWaalsContact CG-CB 3.4Å; L368-A372 WeakPolarHBondContact O-CB 3.36Å; L368-A372 PolarHBondContact O-N 2.61Å; M369-A372 PolarHBondContact O-N 3.41Å; M369-A372 VanDerWaalsContact O-N 3.14Å; W370-A372 VanDerWaalsContact C-N 3.33Å; W370-A372 PolarHBondContact O-N 3.46Å
373V98.5Very high98.7Very high42 Ų4238.5 Ų38.526%0.25521%0.211SC..Hα-helixtrans-111.5-11.6-173.6-52.30000114.4M369 G377 L378M369-V373 WeakPolarHBondContact O-CG2 3.3Å; M369-V373 PolarHBondContact O-N 3.43Å; M369-V373 VanDerWaalsContact O-N 3.09Å; V373-G377 VanDerWaalsContact O-CA 3.27Å; V373-G377 WeakPolarHBondContact O-CA 3.4Å; V373-G377 PolarHBondContact O-N 2.64Å; V373-L378 HydrophobicContact CG2-CD2 3.77Å; V373-L378 HydrophobicContact CG2-CG 3.87Å
374G98.8Very high98.7Very high28 Ų2842.8 Ų42.829%0.28923%0.23SC..Hα-helixtrans63.5174.6-174.600000113.4W370 A376 G377 L378W370-G374 WeakPolarHBondContact O-CA 3.39Å; W370-G374 PolarHBondContact O-N 2.94Å; G374-A376 PolarHBondContact O-N 2.85Å; G374-G377 PolarHBondContact O-N 3.43Å; G374-L378 PolarHBondContact O-N 2.91Å
375S98.8Very high98.7Very high61 Ų6142.6 Ų42.643%0.42723%0.23SC..Hα-helixtrans-61.2-31.9174.4-55.20000112.1W370 L378 E379W370-S375 PolarHBondContact NE1-OG 3.09Å; S375-L378 PolarHBondContact O-N 3.45Å; S375-E379 WeakPolarHBondContact O-CB 3.32Å; S375-E379 PolarHBondContact O-N 3.13Å
376A98.7Very high98.7Very high57 Ų5742.8 Ų42.847%0.47123%0.23SC..Hα-helixtrans-65.6-40.1176.900000112.7G374 E379 Q380G374-A376 PolarHBondContact O-N 2.85Å; A376-E379 WeakPolarHBondContact O-CB 3.42Å; A376-E379 PolarHBondContact O-N 3.34Å; A376-Q380 VanDerWaalsContact O-CG 3.3Å; A376-Q380 WeakPolarHBondContact O-CG 3.38Å; A376-Q380 PolarHBondContact O-N 3.35Å
377G98.7Very high98.6Very high13 Ų1347.7 Ų47.713%0.13426%0.256CS..Hα-helixtrans-69.8-35.7175.300000112.6V373 G374 Q380 R381V373-G377 VanDerWaalsContact O-CA 3.27Å; V373-G377 WeakPolarHBondContact O-CA 3.4Å; V373-G377 PolarHBondContact O-N 2.64Å; G374-G377 PolarHBondContact O-N 3.43Å; G377-Q380 PolarHBondContact O-N 3.02Å; G377-R381 WeakPolarHBondContact O-CG 3.19Å; G377-R381 PolarHBondContact O-N 3.45Å; G377-R381 VanDerWaalsContact O-N 3.13Å
378L98.8Very high98.6Very high0 Ų045.1 Ų45.10%025%0.247CC..Hα-helixtrans-66.9-41172.8-63.3177.7000111.7F283 L308 M369 W370 V373 G374 S375 R381 V382F283-L378 HydrophobicContact CB-CB 4.47Å; F283-L378 HydrophobicContact CD1-CB 3.74Å; F283-L378 HydrophobicContact CD1-CD1 4.06Å; F283-L378 HydrophobicContact CE1-CB 4.03Å; F283-L378 HydrophobicContact CE1-CD1 3.45Å; F283-L378 VanDerWaalsContact CE1-CD1 3.45Å; F283-L378 HydrophobicContact CE1-CG 4.37Å; F283-L378 HydrophobicContact CE2-CD1 4.21Å; F283-L378 HydrophobicContact CG-CB 4Å; F283-L378 HydrophobicContact CZ-CD1 3.53Å; L308-L378 HydrophobicContact CD2-CD2 4.4Å; M369-L378 HydrophobicContact CE-CD2 4.03Å; M369-L378 HydrophobicContact CG-CD2 4.47Å; M369-L378 HydrophobicContact SD-CD2 4.35Å; W370-L378 HydrophobicContact CB-CD1 4.31Å; W370-L378 HydrophobicContact CD2-CD1 4.01Å; W370-L378 HydrophobicContact CG-CD1 3.77Å; V373-L378 HydrophobicContact CG2-CD2 3.77Å; V373-L378 HydrophobicContact CG2-CG 3.87Å; G374-L378 PolarHBondContact O-N 2.91Å; S375-L378 PolarHBondContact O-N 3.45Å; L378-R381 PolarHBondContact O-N 3.31Å; L378-V382 WeakPolarHBondContact O-CG2 3.48Å; L378-V382 PolarHBondContact O-N 3.27Å; L378-V382 VanDerWaalsContact O-N 3.15Å
379E98.8Very high98.6Very high35 Ų3542.7 Ų42.716%0.16424%0.235CC..Hα-helixtrans-55.5-49.5171.2170.3163.2-14100111.3F283 K285 S375 A376 R381 V382 D383F283-E379 WeakPolarHBondContact O-CB 3Å; K285-E379 WeakPolarHBondContact CB-OE1 3.41Å; K285-E379 VanDerWaalsContact CG-OE1 3.29Å; K285-E379 WeakPolarHBondContact CG-OE1 3.5Å; K285-E379 PolarHBondContact N-OE1 2.95Å; S375-E379 WeakPolarHBondContact O-CB 3.32Å; S375-E379 PolarHBondContact O-N 3.13Å; A376-E379 WeakPolarHBondContact O-CB 3.42Å; A376-E379 PolarHBondContact O-N 3.34Å; E379-R381 VanDerWaalsContact C-N 3.32Å; E379-R381 PolarHBondContact O-N 2.85Å; E379-V382 PolarHBondContact O-N 3.27Å; E379-D383 WeakPolarHBondContact O-CB 3.44Å; E379-D383 PolarHBondContact O-N 3.27Å
380Q98.4Very high98.6Very high136 Ų13648.4 Ų48.464%0.63626%0.256SS*.Hα-helixtrans-60.2-38.6178.8-73.5172.820.900112.9A376 G377 K384A376-Q380 VanDerWaalsContact O-CG 3.3Å; A376-Q380 WeakPolarHBondContact O-CG 3.38Å; A376-Q380 PolarHBondContact O-N 3.35Å; G377-Q380 PolarHBondContact O-N 3.02Å; Q380-K384 VanDerWaalsContact O-CB 3.24Å; Q380-K384 WeakPolarHBondContact O-CB 3.3Å; Q380-K384 PolarHBondContact O-N 3.14Å
381R98.1Very high98.6Very high46 Ų4648.8 Ų48.817%0.17426%0.258CS..Hα-helixtrans-62.6-46.3176.5-71.7176-175.5-165-2111.4D99 M369 G377 L378 E379 K384 A385 P473D99-R381 IonicContact OD2-CZ 3.07Å; D99-R381 IonicContact OD2-NH1 3.7Å; D99-R381 PolarHBondContact OD2-NH1 3.39Å; D99-R381 IonicContact OD2-NH2 3.9Å; D99-R381 PolarHBondContact OD2-NH2 3.4Å; M369-R381 PolarHBondContact SD-NH1 3.02Å; G377-R381 WeakPolarHBondContact O-CG 3.19Å; G377-R381 PolarHBondContact O-N 3.45Å; G377-R381 VanDerWaalsContact O-N 3.13Å; L378-R381 PolarHBondContact O-N 3.31Å; E379-R381 VanDerWaalsContact C-N 3.32Å; E379-R381 PolarHBondContact O-N 2.85Å; R381-K384 PolarHBondContact O-N 2.96Å; R381-A385 PolarHBondContact O-N 3.09Å; R381-A385 VanDerWaalsContact O-N 3.12Å; R381-P473 HydrophobicContact CG-CB 4.29Å
382V98.7Very high98.6Very high1 Ų142 Ų421%0.00623%0.228CC..Hα-helixtrans-61.7-51.8177.6173.10000110.2S280 M307 L308 L378 E379 K384 A385 F386S280-V382 WeakPolarHBondContact O-CG2 3.47Å; M307-V382 HydrophobicContact CE-CB 4.49Å; M307-V382 HydrophobicContact CE-CG1 4.16Å; M307-V382 HydrophobicContact CE-CG2 4.49Å; M307-V382 HydrophobicContact CG-CG2 4.2Å; L308-V382 HydrophobicContact CD2-CG2 4.24Å; L378-V382 WeakPolarHBondContact O-CG2 3.48Å; L378-V382 PolarHBondContact O-N 3.27Å; L378-V382 VanDerWaalsContact O-N 3.15Å; E379-V382 PolarHBondContact O-N 3.27Å; V382-K384 VanDerWaalsContact C-N 3.31Å; V382-K384 PolarHBondContact O-N 2.74Å; V382-A385 WeakPolarHBondContact O-CB 3.39Å; V382-A385 PolarHBondContact O-N 3.06Å; V382-A385 VanDerWaalsContact O-N 3.15Å; V382-F386 HydrophobicContact CG1-CD2 4.12Å; V382-F386 HydrophobicContact CG1-CE2 3.93Å; V382-F386 WeakPolarHBondContact O-CD2 3.4Å; V382-F386 PolarHBondContact O-N 3.33Å
383D98.7Very high98.6Very high17 Ų1740 Ų409%0.09121%0.212CC..Hα-helixtrans-56.8-44179.4-84.813000112.2S284 K286 H287 E379 A385 F386 L387S284-D383 VanDerWaalsContact CB-OD1 3.26Å; S284-D383 WeakPolarHBondContact CB-OD1 3.18Å; S284-D383 PolarHBondContact OG-OD1 2.98Å; K286-D383 WeakPolarHBondContact CD-OD2 3.43Å; K286-D383 WeakPolarHBondContact CE-OD2 3.41Å; K286-D383 IonicContact NZ-OD2 2.79Å; K286-D383 PolarHBondContact NZ-OD2 2.85Å; H287-D383 IonicContact CD2-OD1 3.75Å; E379-D383 WeakPolarHBondContact O-CB 3.44Å; E379-D383 PolarHBondContact O-N 3.27Å; D383-A385 VanDerWaalsContact C-N 3.32Å; D383-A385 PolarHBondContact O-N 2.91Å; D383-F386 PolarHBondContact O-N 3.18Å; D383-L387 WeakPolarHBondContact O-CG 3.37Å; D383-L387 PolarHBondContact O-N 2.65Å
384K98.1Very high98.6Very high91 Ų9142 Ų4240%0.39622%0.221SC..Hα-helixtrans-63.9-37.7179.4-171.4178.3176.1-165.10111.9Q380 R381 V382 F386 L387 H388 V475Q380-K384 VanDerWaalsContact O-CB 3.24Å; Q380-K384 WeakPolarHBondContact O-CB 3.3Å; Q380-K384 PolarHBondContact O-N 3.14Å; R381-K384 PolarHBondContact O-N 2.96Å; V382-K384 VanDerWaalsContact C-N 3.31Å; V382-K384 PolarHBondContact O-N 2.74Å; K384-F386 PolarHBondContact O-N 3.23Å; K384-L387 WeakPolarHBondContact O-CB 3.4Å; K384-L387 PolarHBondContact O-N 3.33Å; K384-H388 VanDerWaalsContact CE-NE2 3.31Å; K384-H388 WeakPolarHBondContact CE-NE2 3.3Å; K384-H388 PolarHBondContact O-CD2 3.08Å; K384-H388 VanDerWaalsContact O-CD2 3.23Å; K384-H388 PolarHBondContact O-N 3.36Å; K384-V475 PolarHBondContact NZ-O 3.33Å
385A98.5Very high98.6Very high4 Ų442.5 Ų42.53%0.03322%0.216CC..Hα-helixtrans-61.7-42.217500000112M307 R381 V382 D383 L387 H388 A389 V411 I470M307-A385 HydrophobicContact CE-CB 3.72Å; M307-A385 HydrophobicContact SD-CB 4.27Å; R381-A385 PolarHBondContact O-N 3.09Å; R381-A385 VanDerWaalsContact O-N 3.12Å; V382-A385 WeakPolarHBondContact O-CB 3.39Å; V382-A385 PolarHBondContact O-N 3.06Å; V382-A385 VanDerWaalsContact O-N 3.15Å; D383-A385 VanDerWaalsContact C-N 3.32Å; D383-A385 PolarHBondContact O-N 2.91Å; A385-L387 PolarHBondContact O-N 3.34Å; A385-H388 PolarHBondContact O-N 2.89Å; A385-A389 PolarHBondContact O-N 3.03Å; A385-V411 HydrophobicContact CB-CG1 3.89Å; A385-I470 WeakPolarHBondContact CB-O 3.49Å
386F98.8Very high98.6Very high10 Ų1039.7 Ų39.74%0.04420%0.196CC..Hα-helixtrans-64.7-35.7173.1-83.6-90.4000113.3V281 H287 L290 V382 D383 K384 A389 R390 F410 V411V281-F386 HydrophobicContact CG1-CE2 3.94Å; V281-F386 HydrophobicContact CG1-CZ 3.98Å; H287-F386 HydrophobicContact CB-CD2 4.41Å; H287-F386 HydrophobicContact CB-CE2 3.8Å; H287-F386 HydrophobicContact CB-CZ 3.87Å; H287-F386 AromaticContact CD2-CD2 3.46Å; H287-F386 VanDerWaalsContact CD2-CD2 3.46Å; H287-F386 WeakPolarHBondContact CD2-CD2 3.45Å; H287-F386 AromaticContact CD2-CE2 3.77Å; H287-F386 AromaticContact CD2-CG 3.73Å; H287-F386 AromaticContact CE1-CD1 3.57Å; H287-F386 AromaticContact CE1-CE1 3.96Å; H287-F386 AromaticContact CE1-CG 3.64Å; H287-F386 AromaticContact CG-CD2 3.74Å; H287-F386 AromaticContact CG-CE2 3.58Å; H287-F386 AromaticContact CG-CZ 3.7Å; H287-F386 AromaticContact ND1-CD1 3.73Å; H287-F386 AromaticContact ND1-CE1 3.63Å; H287-F386 AromaticContact ND1-CG 3.96Å; H287-F386 AromaticContact ND1-CZ 3.79Å; H287-F386 AromaticContact NE2-CD1 3.93Å; H287-F386 AromaticContact NE2-CD2 3.75Å; H287-F386 AromaticContact NE2-CG 3.48Å; H287-F386 WeakPolarHBondContact NE2-CG 3.21Å; L290-F386 HydrophobicContact CD1-CE1 4.08Å; L290-F386 HydrophobicContact CD1-CZ 3.76Å; V382-F386 HydrophobicContact CG1-CD2 4.12Å; V382-F386 HydrophobicContact CG1-CE2 3.93Å; V382-F386 WeakPolarHBondContact O-CD2 3.4Å; V382-F386 PolarHBondContact O-N 3.33Å; D383-F386 PolarHBondContact O-N 3.18Å; K384-F386 PolarHBondContact O-N 3.23Å; F386-A389 PolarHBondContact O-N 3.32Å; F386-R390 WeakPolarHBondContact O-CG 3.44Å; F386-R390 PolarHBondContact O-N 2.99Å; F386-R390 PolarHBondContact O-NE 3.44Å; F386-F410 AromaticContact CE1-CD2 3.89Å; F386-F410 HydrophobicContact CE1-CD2 3.89Å; F386-F410 AromaticContact CE2-CD2 3.8Å; F386-F410 HydrophobicContact CE2-CD2 3.8Å; F386-F410 AromaticContact CE2-CE2 3.68Å; F386-F410 HydrophobicContact CE2-CE2 3.68Å; F386-F410 AromaticContact CZ-CD2 3.31Å; F386-F410 HydrophobicContact CZ-CD2 3.31Å; F386-F410 AromaticContact CZ-CE2 3.64Å; F386-F410 HydrophobicContact CZ-CE2 3.64Å; F386-F410 HydrophobicContact CZ-CG 4.5Å; F386-V411 HydrophobicContact CD1-CG1 4.41Å; F386-V411 HydrophobicContact CD2-CG1 4.1Å; F386-V411 HydrophobicContact CE2-CG1 4.43Å; F386-V411 HydrophobicContact CG-CG1 4.1Å
387L98.3Very high98.5Very high103 Ų10342.9 Ų42.954%0.53920%0.199SC..Hα-helixtrans-64.5-43.5175-70.4174.5000111.4D383 K384 A385 R390 Y391D383-L387 WeakPolarHBondContact O-CG 3.37Å; D383-L387 PolarHBondContact O-N 2.65Å; K384-L387 WeakPolarHBondContact O-CB 3.4Å; K384-L387 PolarHBondContact O-N 3.33Å; A385-L387 PolarHBondContact O-N 3.34Å; L387-R390 PolarHBondContact O-N 3.48Å; L387-Y391 WeakPolarHBondContact O-CB 3.47Å; L387-Y391 PolarHBondContact O-N 2.97Å
388H98.6Very high98.5Very high22 Ų2249.2 Ų49.210%0.10222%0.223CC..Hα-helixtrans-65.7-39175.8-74.5-57.6000112.8K384 A385 Y391 V392 I470 V475 M480K384-H388 VanDerWaalsContact CE-NE2 3.31Å; K384-H388 WeakPolarHBondContact CE-NE2 3.3Å; K384-H388 PolarHBondContact O-CD2 3.08Å; K384-H388 VanDerWaalsContact O-CD2 3.23Å; K384-H388 PolarHBondContact O-N 3.36Å; A385-H388 PolarHBondContact O-N 2.89Å; H388-Y391 PolarHBondContact O-N 2.9Å; H388-V392 PolarHBondContact O-N 3.49Å; H388-I470 HydrophobicContact CB-CD1 4.43Å; H388-I470 HydrophobicContact CB-CG2 3.67Å; H388-V475 PolarHBondContact NE2-O 3.16Å; H388-M480 HydrophobicContact CB-CG 4.39Å; H388-M480 HydrophobicContact CB-SD 4.25Å
389A98.5Very high98.5Very high2 Ų251.8 Ų51.82%0.01723%0.233CC..Hα-helixtrans-61.2-44174.800000112.2A385 F386 V392 V393 V411 V413 I470A385-A389 PolarHBondContact O-N 3.03Å; F386-A389 PolarHBondContact O-N 3.32Å; A389-V392 WeakPolarHBondContact O-CG1 3.35Å; A389-V393 VanDerWaalsContact O-CG2 3.3Å; A389-V393 WeakPolarHBondContact O-CG2 3.34Å; A389-V393 PolarHBondContact O-N 3.37Å; A389-V411 HydrophobicContact CB-CB 4.3Å; A389-V411 HydrophobicContact CB-CG1 4.29Å; A389-V413 HydrophobicContact CB-CG2 4.28Å; A389-I470 HydrophobicContact CB-CD1 4.12Å
390R98.5Very high98.4Very high121 Ų12156.8 Ų56.846%0.45726%0.256SS..Hα-helixtrans-64.1-45.3173.8-74.5179.5-112.4175.7-4.4111.9H287 F386 L387 V392 V393 D394H287-R390 PolarHBondContact CE1-NH2 2.94Å; H287-R390 PolarHBondContact NE2-NH2 3.39Å; H287-R390 VanDerWaalsContact NE2-NH2 3.18Å; F386-R390 WeakPolarHBondContact O-CG 3.44Å; F386-R390 PolarHBondContact O-N 2.99Å; F386-R390 PolarHBondContact O-NE 3.44Å; L387-R390 PolarHBondContact O-N 3.48Å; R390-V392 PolarHBondContact O-N 2.96Å; R390-V393 WeakPolarHBondContact O-CB 2.95Å; R390-V393 PolarHBondContact O-N 2.98Å; R390-D394 PolarHBondContact O-N 2.99Å
391Y98.7Very high98.3Very high45 Ų4551 Ų5118%0.17623%0.233CC..Hα-helixtrans-56.5-50.3178176.3-94.1000111.9L387 H388 V393 D394 Q395 Q477 M480 D481L387-Y391 WeakPolarHBondContact O-CB 3.47Å; L387-Y391 PolarHBondContact O-N 2.97Å; H388-Y391 PolarHBondContact O-N 2.9Å; Y391-V393 VanDerWaalsContact C-N 3.31Å; Y391-V393 PolarHBondContact O-N 3.29Å; Y391-D394 PolarHBondContact O-N 2.89Å; Y391-Q395 HydrophobicContact CD1-CG 4.12Å; Y391-Q395 HydrophobicContact CD2-CG 4.47Å; Y391-Q395 HydrophobicContact CE1-CG 3.61Å; Y391-Q395 HydrophobicContact CE2-CG 4.02Å; Y391-Q395 WeakPolarHBondContact O-CG 3.35Å; Y391-Q395 PolarHBondContact O-N 3.49Å; Y391-Q477 HydrophobicContact CD1-CG 4.31Å; Y391-Q477 HydrophobicContact CD2-CG 4.44Å; Y391-Q477 HydrophobicContact CE1-CG 3.65Å; Y391-Q477 HydrophobicContact CE2-CG 3.78Å; Y391-Q477 WeakPolarHBondContact OH-CG 3.49Å; Y391-Q477 PolarHBondContact OH-NE2 3.38Å; Y391-M480 HydrophobicContact CD1-CB 3.9Å; Y391-M480 HydrophobicContact CD1-CG 4.34Å; Y391-M480 HydrophobicContact CE1-CB 3.95Å; Y391-D481 VanDerWaalsContact CE1-OD1 3.3Å; Y391-D481 WeakPolarHBondContact CE1-OD1 3.29Å; Y391-D481 PolarHBondContact OH-OD1 3.16Å; Y391-D481 PolarHBondContact OH-OD2 3.06Å
392V98.4Very high98.4Very high0 Ų049.8 Ų49.80%023%0.229CC..Hα-helixtrans-65.8-36.1-177.676.40000111.5H388 A389 R390 Q395 M396 V413 I470 M480 F483 L484H388-V392 PolarHBondContact O-N 3.49Å; A389-V392 WeakPolarHBondContact O-CG1 3.35Å; R390-V392 PolarHBondContact O-N 2.96Å; V392-Q395 PolarHBondContact O-N 2.89Å; V392-M396 HydrophobicContact CG2-CE 3.96Å; V392-M396 WeakPolarHBondContact O-CB 2.99Å; V392-M396 VanDerWaalsContact O-CG 3.26Å; V392-M396 WeakPolarHBondContact O-CG 3.45Å; V392-M396 PolarHBondContact O-N 3.14Å; V392-V413 HydrophobicContact CG1-CB 4.48Å; V392-V413 HydrophobicContact CG1-CG2 3.89Å; V392-I470 HydrophobicContact CG1-CD1 3.87Å; V392-M480 HydrophobicContact CB-SD 4.44Å; V392-F483 HydrophobicContact CG2-CD1 4.37Å; V392-L484 HydrophobicContact CG2-CD1 4.08Å; V392-L484 HydrophobicContact CG2-CD2 3.92Å; V392-L484 HydrophobicContact CG2-CG 4.07Å
393V98.6Very high98.3Very high7 Ų753.9 Ų53.94%0.04225%0.248CC..Hα-helixtrans-60.3-47.7172.71640000111.1A389 R390 Y391 Q395 M396 K397 L404 P408 V413A389-V393 VanDerWaalsContact O-CG2 3.3Å; A389-V393 WeakPolarHBondContact O-CG2 3.34Å; A389-V393 PolarHBondContact O-N 3.37Å; R390-V393 WeakPolarHBondContact O-CB 2.95Å; R390-V393 PolarHBondContact O-N 2.98Å; Y391-V393 VanDerWaalsContact C-N 3.31Å; Y391-V393 PolarHBondContact O-N 3.29Å; V393-Q395 VanDerWaalsContact C-N 3.28Å; V393-Q395 PolarHBondContact O-N 3.25Å; V393-M396 PolarHBondContact O-N 3.26Å; V393-K397 HydrophobicContact CG1-CD 4.25Å; V393-K397 WeakPolarHBondContact O-CG 3.38Å; V393-K397 PolarHBondContact O-N 2.87Å; V393-L404 HydrophobicContact CG1-CD1 3.83Å; V393-L404 HydrophobicContact CG2-CD2 4.24Å; V393-P408 HydrophobicContact CG2-CG 3.78Å; V393-V413 HydrophobicContact CG2-CB 4.49Å; V393-V413 HydrophobicContact CG2-CG1 3.67Å; V393-V413 HydrophobicContact CG2-CG2 3.98Å
394D98.6Very high98.3Very high84 Ų8454.8 Ų54.845%0.44925%0.253SS..Hα-helixtrans-64.6-33.5179.4-69.8-19.5000112.2R390 Y391 K398R390-D394 PolarHBondContact O-N 2.99Å; Y391-D394 PolarHBondContact O-N 2.89Å; D394-K398 WeakPolarHBondContact O-CD 3.39Å; D394-K398 WeakPolarHBondContact O-CE 3.43Å; D394-K398 WeakPolarHBondContact O-CG 3.26Å
395Q98.7Very high98.2Very high38 Ų3851.6 Ų51.618%0.17824%0.24CC..Hα-helixtrans-74.1-40.7174.5-64.4-52.1-3600112.2Y391 V392 V393 K397 K398 R399 L484Y391-Q395 HydrophobicContact CD1-CG 4.12Å; Y391-Q395 HydrophobicContact CD2-CG 4.47Å; Y391-Q395 HydrophobicContact CE1-CG 3.61Å; Y391-Q395 HydrophobicContact CE2-CG 4.02Å; Y391-Q395 WeakPolarHBondContact O-CG 3.35Å; Y391-Q395 PolarHBondContact O-N 3.49Å; V392-Q395 PolarHBondContact O-N 2.89Å; V393-Q395 VanDerWaalsContact C-N 3.28Å; V393-Q395 PolarHBondContact O-N 3.25Å; Q395-K397 VanDerWaalsContact C-N 3.28Å; Q395-K397 PolarHBondContact O-N 2.8Å; Q395-K398 WeakPolarHBondContact O-CB 3.35Å; Q395-K398 PolarHBondContact O-N 3.32Å; Q395-R399 PolarHBondContact O-N 3.43Å; Q395-L484 HydrophobicContact CB-CD1 3.49Å; Q395-L484 VanDerWaalsContact CB-CD1 3.49Å
396M98.6Very high98Very high1 Ų153.4 Ų53.41%0.00526%0.259CS..Hα-helixtrans-58-42174.4-76174.1176.500111.3V392 V393 K398 R399 F402 L404 V413 F415 F483 L484V392-M396 HydrophobicContact CG2-CE 3.96Å; V392-M396 WeakPolarHBondContact O-CB 2.99Å; V392-M396 VanDerWaalsContact O-CG 3.26Å; V392-M396 WeakPolarHBondContact O-CG 3.45Å; V392-M396 PolarHBondContact O-N 3.14Å; V393-M396 PolarHBondContact O-N 3.26Å; M396-K398 PolarHBondContact O-N 2.91Å; M396-K398 VanDerWaalsContact O-N 3.09Å; M396-R399 PolarHBondContact O-N 2.79Å; M396-R399 VanDerWaalsContact O-N 3.07Å; M396-F402 HydrophobicContact CB-CB 3.87Å; M396-F402 HydrophobicContact CB-CG 4.29Å; M396-F402 HydrophobicContact CE-CD1 4.25Å; M396-F402 HydrophobicContact CG-CB 4.03Å; M396-F402 HydrophobicContact CG-CD1 3.94Å; M396-F402 HydrophobicContact CG-CG 3.98Å; M396-F402 HydrophobicContact SD-CD1 4.44Å; M396-L404 HydrophobicContact SD-CD2 3.79Å; M396-V413 HydrophobicContact CE-CG1 4.43Å; M396-V413 HydrophobicContact SD-CG1 4.03Å; M396-F415 HydrophobicContact CE-CD1 3.39Å; M396-F415 HydrophobicContact CE-CD2 4.05Å; M396-F415 HydrophobicContact CE-CE1 3.34Å; M396-F415 HydrophobicContact CE-CE2 4.02Å; M396-F415 HydrophobicContact CE-CG 3.75Å; M396-F415 HydrophobicContact CE-CZ 3.67Å; M396-F415 HydrophobicContact SD-CB 4.31Å; M396-F415 HydrophobicContact SD-CD1 4.08Å; M396-F415 HydrophobicContact SD-CG 4.06Å; M396-F483 HydrophobicContact CE-CE1 3.93Å; M396-L484 HydrophobicContact CE-CD2 3.58Å; M396-L484 HydrophobicContact CG-CD1 4.45Å; M396-L484 HydrophobicContact CG-CD2 3.54Å; M396-L484 HydrophobicContact SD-CD2 4.43Å
397K98.1Very high97.7Very high125 Ų12558.8 Ų58.854%0.54329%0.288SS..THydrogen-bonded Turntrans-61.3-17.2177.2-72.8174.7179.2175.70113.8V393 Q395 L404 D407V393-K397 HydrophobicContact CG1-CD 4.25Å; V393-K397 WeakPolarHBondContact O-CG 3.38Å; V393-K397 PolarHBondContact O-N 2.87Å; Q395-K397 VanDerWaalsContact C-N 3.28Å; Q395-K397 PolarHBondContact O-N 2.8Å; K397-L404 HydrophobicContact CD-CD1 4.35Å; K397-L404 HydrophobicContact CG-CD1 3.93Å; K397-D407 IonicContact NZ-OD1 3.2Å; K397-D407 PolarHBondContact NZ-OD1 2.99Å; K397-D407 VanDerWaalsContact NZ-OD1 3.07Å
398K98.2Very high97.6Very high146 Ų14655.8 Ų55.864%0.63528%0.275SS*.THydrogen-bonded Turntrans-97.9-5.8178.9-62.7167.4-168169.10113.4D394 Q395 M396D394-K398 WeakPolarHBondContact O-CD 3.39Å; D394-K398 WeakPolarHBondContact O-CE 3.43Å; D394-K398 WeakPolarHBondContact O-CG 3.26Å; Q395-K398 WeakPolarHBondContact O-CB 3.35Å; Q395-K398 PolarHBondContact O-N 3.32Å; M396-K398 PolarHBondContact O-N 2.91Å; M396-K398 VanDerWaalsContact O-N 3.09Å
399R98.3Very high97.5Very high53 Ų5357.5 Ų57.520%0.228%0.283CS..SBendtrans-114.7137.1-174.3-67.1-178-173.9-141.35.4110.5Q395 M396 F402 L484 D485 E488Q395-R399 PolarHBondContact O-N 3.43Å; M396-R399 PolarHBondContact O-N 2.79Å; M396-R399 VanDerWaalsContact O-N 3.07Å; R399-F402 HydrophobicContact CB-CD2 3.68Å; R399-F402 HydrophobicContact CB-CE2 4.1Å; R399-L484 VanDerWaalsContact CZ-CB 3.48Å; R399-L484 VanDerWaalsContact NH1-CB 3.34Å; R399-D485 IonicContact CZ-OD1 3.91Å; R399-D485 IonicContact NH1-OD1 2.64Å; R399-D485 PolarHBondContact NH1-OD1 3.09Å; R399-D485 IonicContact NH2-OD1 2.91Å; R399-D485 PolarHBondContact NH2-OD1 2.78Å; R399-E488 IonicContact CZ-OE2 2.67Å; R399-E488 IonicContact NH1-OE2 3.57Å; R399-E488 PolarHBondContact NH1-OE2 3.49Å
400E96.7Very high97.5Very high141 Ų14157.5 Ų57.566%0.65928%0.283SS*.THydrogen-bonded Turntrans-69144.6173.4-68.8-170.8178.400111.4F402 R423E400-F402 VanDerWaalsContact C-N 3.33Å; E400-F402 PolarHBondContact O-N 2.72Å; E400-R423 PolarHBondContact O-NH2 3.4Å; E400-R423 IonicContact OE2-CZ 3.15Å; E400-R423 IonicContact OE2-NH1 3.9Å; E400-R423 PolarHBondContact OE2-NH1 3.3Å
401G97.6Very high97.5Very high15 Ų1551.8 Ų51.816%0.15526%0.261CS..THydrogen-bonded Turntrans90.4-20.2176.200000114.3Q403 F417 I418G401-Q403 PolarHBondContact O-N 3.31Å; G401-F417 CarbonylContact O-C 3.52Å; G401-F417 WeakPolarHBondContact O-CA 3.47Å; G401-I418 WeakPolarHBondContact CA-O 3.09Å; G401-I418 PolarHBondContact O-N 3.13Å
402F98.6Very high97.5Very high20 Ų2049.7 Ų49.79%0.08825%0.253CS..EExtended strand (participates in β ladder)trans-82.3118.8170.3-67.8-85.8000110.6M396 R399 E400 F415 F417 L484 I487 E488M396-F402 HydrophobicContact CB-CB 3.87Å; M396-F402 HydrophobicContact CB-CG 4.29Å; M396-F402 HydrophobicContact CE-CD1 4.25Å; M396-F402 HydrophobicContact CG-CB 4.03Å; M396-F402 HydrophobicContact CG-CD1 3.94Å; M396-F402 HydrophobicContact CG-CG 3.98Å; M396-F402 HydrophobicContact SD-CD1 4.44Å; R399-F402 HydrophobicContact CB-CD2 3.68Å; R399-F402 HydrophobicContact CB-CE2 4.1Å; E400-F402 VanDerWaalsContact C-N 3.33Å; E400-F402 PolarHBondContact O-N 2.72Å; F402-F415 AromaticContact CD1-CD2 3.62Å; F402-F415 HydrophobicContact CD1-CD2 3.62Å; F402-F415 AromaticContact CD1-CE2 3.63Å; F402-F415 HydrophobicContact CD1-CE2 3.63Å; F402-F415 HydrophobicContact CE1-CD2 4.15Å; F402-F415 AromaticContact CE1-CE2 3.65Å; F402-F415 HydrophobicContact CE1-CE2 3.65Å; F402-F415 HydrophobicContact CE1-CZ 4.4Å; F402-F417 HydrophobicContact CD1-CD2 4.37Å; F402-F417 HydrophobicContact CE1-CD2 4.11Å; F402-F417 HydrophobicContact CE2-CD2 4.3Å; F402-F417 HydrophobicContact CE2-CE2 4.31Å; F402-F417 HydrophobicContact CZ-CD2 4.07Å; F402-F417 HydrophobicContact CZ-CE2 4.36Å; F402-L484 HydrophobicContact CD1-CD2 4.16Å; F402-L484 HydrophobicContact CE1-CD2 3.65Å; F402-L484 HydrophobicContact CE2-CB 4.45Å; F402-L484 HydrophobicContact CE2-CD2 4.28Å; F402-L484 HydrophobicContact CZ-CB 4.09Å; F402-L484 HydrophobicContact CZ-CD2 3.71Å; F402-I487 HydrophobicContact CE1-CB 4.12Å; F402-I487 HydrophobicContact CE1-CG2 3.76Å; F402-I487 HydrophobicContact CZ-CB 4.07Å; F402-I487 HydrophobicContact CZ-CG2 3.93Å; F402-E488 HydrophobicContact CE2-CG 3.59Å; F402-E488 HydrophobicContact CZ-CG 3.94Å
403Q98.4Very high97.5Very high86 Ų8649.7 Ų49.740%0.40225%0.253SS..EExtended strand (participates in β ladder)trans-118107.6175.7-176178.1-19.800110G401 F415 W416 I418G401-Q403 PolarHBondContact O-N 3.31Å; Q403-F415 CarbonylContact O-C 3.47Å; Q403-F415 WeakPolarHBondContact O-CA 3.36Å; Q403-F415 WeakPolarHBondContact O-CB 3.29Å; Q403-W416 HydrophobicContact CB-CB 4.49Å; Q403-W416 HydrophobicContact CG-CE3 4.3Å; Q403-W416 PolarHBondContact N-O 3.46Å; Q403-W416 PolarHBondContact O-N 2.82Å; Q403-I418 HydrophobicContact CB-CG1 4.3Å
404L98.1Very high97.5Very high36 Ų3649.8 Ų49.819%0.18825%0.254CS..EExtended strand (participates in β ladder)trans-66.8139.6174.8-68.2165000110.5V393 M396 K397 G406 V413 F415V393-L404 HydrophobicContact CG1-CD1 3.83Å; V393-L404 HydrophobicContact CG2-CD2 4.24Å; M396-L404 HydrophobicContact SD-CD2 3.79Å; K397-L404 HydrophobicContact CD-CD1 4.35Å; K397-L404 HydrophobicContact CG-CD1 3.93Å; L404-G406 VanDerWaalsContact C-N 3.34Å; L404-V413 HydrophobicContact CD2-CG1 3.61Å; L404-F415 HydrophobicContact CD2-CB 4.28Å
405L95.9Very high97.5Very high24 Ų2445.8 Ų45.813%0.12623%0.233CC..SBendtrans-80.1-20.4174.7-86.964.7000112.5C414 W416 F465L405-C414 HydrophobicContact CB-CB 4.16Å; L405-C414 HydrophobicContact CD2-CB 4.2Å; L405-C414 PolarHBondContact N-O 2.86Å; L405-W416 HydrophobicContact CD1-CD2 3.65Å; L405-W416 HydrophobicContact CD1-CE3 3.36Å; L405-W416 HydrophobicContact CD1-CG 4.33Å; L405-W416 HydrophobicContact CD1-CH2 4.04Å; L405-W416 HydrophobicContact CD1-CZ2 4.31Å; L405-W416 HydrophobicContact CD1-CZ3 3.56Å; L405-W416 HydrophobicContact CD2-CH2 4.37Å; L405-W416 HydrophobicContact CD2-CZ2 4.45Å; L405-W416 HydrophobicContact CG-CE3 4.12Å; L405-W416 HydrophobicContact CG-CH2 3.95Å; L405-W416 HydrophobicContact CG-CZ2 4.42Å; L405-W416 HydrophobicContact CG-CZ3 3.79Å; L405-F465 HydrophobicContact CD1-CB 4.1Å; L405-F465 HydrophobicContact CD1-CG 4.36Å; L405-F465 HydrophobicContact CD2-CB 4.05Å; L405-F465 HydrophobicContact CD2-CD1 3.5Å; L405-F465 HydrophobicContact CD2-CD2 3.59Å; L405-F465 HydrophobicContact CD2-CE1 3.72Å; L405-F465 HydrophobicContact CD2-CE2 3.77Å; L405-F465 HydrophobicContact CD2-CG 3.44Å; L405-F465 VanDerWaalsContact CD2-CG 3.44Å; L405-F465 HydrophobicContact CD2-CZ 3.84Å
406G93.3Very high97.5Very high42 Ų4245.3 Ų45.343%0.43323%0.229SC..SBendtrans174.6167.7179.200000110.5L404L404-G406 VanDerWaalsContact C-N 3.34Å
407D94.1Very high97.5Very high123 Ų12345.5 Ų45.566%0.65823%0.23SC*.  trans-73.4127.2172.8-71.9-45.2000109.6K397K397-D407 IonicContact NZ-OD1 3.2Å; K397-D407 PolarHBondContact NZ-OD1 2.99Å; K397-D407 VanDerWaalsContact NZ-OD1 3.07Å
408P95.7Very high97.6Very high40 Ų4040 Ų4026%0.2621%0.206SC..  trans-74.7131.5-173.531.3-36.7000111.7V393 F410 N412 V413V393-P408 HydrophobicContact CG2-CG 3.78Å; P408-F410 VanDerWaalsContact C-N 3.33Å; P408-N412 WeakPolarHBondContact CB-O 3.23Å; P408-V413 HydrophobicContact CB-CG2 4.49Å; P408-V413 HydrophobicContact CG-CG2 4.25Å
409Q96.5Very high97.6Very high59 Ų5933 Ų3328%0.27618%0.176SC..SBendtrans-78.1-22.3170.6-67.7-177.84.900112.4
410F98.5Very high97.6Very high2 Ų233 Ų331%0.00918%0.183CC..SBendtrans-128.2-154.7-178.6-156.6-170.2000111.8G252 F254 W277 V281 M307 F386 P408 N412G252-F410 WeakPolarHBondContact O-CB 3.17Å; F254-F410 HydrophobicContact CE2-CB 3.92Å; F254-F410 HydrophobicContact CE2-CD1 4.04Å; F254-F410 HydrophobicContact CE2-CD2 4.42Å; F254-F410 AromaticContact CE2-CG 3.88Å; F254-F410 HydrophobicContact CE2-CG 3.88Å; F254-F410 HydrophobicContact CZ-CD1 4.1Å; F254-F410 HydrophobicContact CZ-CD2 4.47Å; F254-F410 HydrophobicContact CZ-CE1 4.33Å; F254-F410 HydrophobicContact CZ-CG 4.18Å; W277-F410 AromaticContact CD1-CD1 3.67Å; W277-F410 AromaticContact CD1-CE1 3.52Å; W277-F410 AromaticContact CD2-CE1 3.77Å; W277-F410 HydrophobicContact CD2-CE1 3.77Å; W277-F410 AromaticContact CE2-CD1 3.91Å; W277-F410 AromaticContact CE2-CE1 3.46Å; W277-F410 VanDerWaalsContact CE2-CE1 3.46Å; W277-F410 HydrophobicContact CG-CD1 4.41Å; W277-F410 AromaticContact CG-CE1 3.82Å; W277-F410 HydrophobicContact CG-CE1 3.82Å; W277-F410 HydrophobicContact CZ2-CE1 4.07Å; W277-F410 AromaticContact NE1-CD1 3.3Å; W277-F410 VanDerWaalsContact NE1-CD1 3.3Å; W277-F410 AromaticContact NE1-CE1 3.27Å; W277-F410 VanDerWaalsContact NE1-CE1 3.27Å; V281-F410 HydrophobicContact CG1-CD2 4.16Å; V281-F410 HydrophobicContact CG1-CE2 3.37Å; V281-F410 HydrophobicContact CG1-CZ 3.72Å; M307-F410 HydrophobicContact CE-CE2 3.72Å; M307-F410 HydrophobicContact CE-CZ 4.02Å; F386-F410 AromaticContact CE1-CD2 3.89Å; F386-F410 HydrophobicContact CE1-CD2 3.89Å; F386-F410 AromaticContact CE2-CD2 3.8Å; F386-F410 HydrophobicContact CE2-CD2 3.8Å; F386-F410 AromaticContact CE2-CE2 3.68Å; F386-F410 HydrophobicContact CE2-CE2 3.68Å; F386-F410 AromaticContact CZ-CD2 3.31Å; F386-F410 HydrophobicContact CZ-CD2 3.31Å; F386-F410 AromaticContact CZ-CE2 3.64Å; F386-F410 HydrophobicContact CZ-CE2 3.64Å; F386-F410 HydrophobicContact CZ-CG 4.5Å; P408-F410 VanDerWaalsContact C-N 3.33Å; F410-N412 VanDerWaalsContact C-N 3.26Å; F410-N412 PolarHBondContact O-N 2.74Å
411V98.4Very high97.7Very high0 Ų028.6 Ų28.60%017%0.167CC..SBendtrans-93.416.6178.4-57.60000112.9W277 M307 A385 F386 A389 I470W277-V411 HydrophobicContact CH2-CG2 4.05Å; W277-V411 HydrophobicContact CZ2-CG2 3.54Å; M307-V411 HydrophobicContact CE-CG1 3.99Å; M307-V411 HydrophobicContact CE-CG2 4.06Å; M307-V411 HydrophobicContact SD-CG2 4.39Å; A385-V411 HydrophobicContact CB-CG1 3.89Å; F386-V411 HydrophobicContact CD1-CG1 4.41Å; F386-V411 HydrophobicContact CD2-CG1 4.1Å; F386-V411 HydrophobicContact CE2-CG1 4.43Å; F386-V411 HydrophobicContact CG-CG1 4.1Å; A389-V411 HydrophobicContact CB-CB 4.3Å; A389-V411 HydrophobicContact CB-CG1 4.29Å; V411-I470 VanDerWaalsContact CB-O 3.28Å; V411-I470 WeakPolarHBondContact CB-O 3.49Å; V411-I470 WeakPolarHBondContact CG2-O 3.24Å; V411-I470 PolarHBondContact O-N 3.41Å; V411-I470 VanDerWaalsContact O-N 3.13Å
412N98.6Very high97.7Very high1 Ų128.4 Ų28.41%0.00516%0.163CC..EExtended strand (participates in β ladder)trans-94.5112.2171.7-64.860000108.2T249 V250 W277 P408 F410 I468T249-N412 PolarHBondContact O-ND2 2.85Å; T249-N412 VanDerWaalsContact O-ND2 3.14Å; V250-N412 WeakPolarHBondContact O-CB 3.32Å; V250-N412 PolarHBondContact O-ND2 2.87Å; W277-N412 PolarHBondContact NE1-OD1 2.84Å; P408-N412 WeakPolarHBondContact CB-O 3.23Å; F410-N412 VanDerWaalsContact C-N 3.26Å; F410-N412 PolarHBondContact O-N 2.74Å; N412-I468 WeakPolarHBondContact CA-O 3.5Å
413V98.6Very high97.6Very high0 Ų031.3 Ų31.30%017%0.173CC..EExtended strand (participates in β ladder)trans-107.4117.6173.7-172.10000108.6A389 V392 V393 M396 L404 P408 R467 I468A389-V413 HydrophobicContact CB-CG2 4.28Å; V392-V413 HydrophobicContact CG1-CB 4.48Å; V392-V413 HydrophobicContact CG1-CG2 3.89Å; V393-V413 HydrophobicContact CG2-CB 4.49Å; V393-V413 HydrophobicContact CG2-CG1 3.67Å; V393-V413 HydrophobicContact CG2-CG2 3.98Å; M396-V413 HydrophobicContact CE-CG1 4.43Å; M396-V413 HydrophobicContact SD-CG1 4.03Å; L404-V413 HydrophobicContact CD2-CG1 3.61Å; P408-V413 HydrophobicContact CB-CG2 4.49Å; P408-V413 HydrophobicContact CG-CG2 4.25Å; V413-R467 WeakPolarHBondContact O-CA 3.41Å; V413-I468 HydrophobicContact CB-CG2 3.57Å; V413-I468 HydrophobicContact CG2-CG2 4.19Å; V413-I468 PolarHBondContact N-O 3.46Å; V413-I468 PolarHBondContact O-N 3.34Å; V413-I468 VanDerWaalsContact O-N 3.12Å
414C98.6Very high97.5Very high10 Ų1030.2 Ų30.27%0.06819%0.185CC..EExtended strand (participates in β ladder)trans-104.9123.4-178-62.90000110V250 L405 F465 F466V250-C414 PolarHBondContact O-SG 3.41Å; L405-C414 HydrophobicContact CB-CB 4.16Å; L405-C414 HydrophobicContact CD2-CB 4.2Å; L405-C414 PolarHBondContact N-O 2.86Å; C414-F465 HydrophobicContact CB-CD2 3.88Å; C414-F465 HydrophobicContact CB-CE2 3.76Å; C414-F466 WeakPolarHBondContact CA-O 3.36Å
415F98.8Very high97.4Very high0 Ų033 Ų330%020%0.196CC..EExtended strand (participates in β ladder)trans-152.9151.2-175.468-81.9000112.4M396 F402 Q403 L404 F465 F466 I468 F483M396-F415 HydrophobicContact CE-CD1 3.39Å; M396-F415 HydrophobicContact CE-CD2 4.05Å; M396-F415 HydrophobicContact CE-CE1 3.34Å; M396-F415 HydrophobicContact CE-CE2 4.02Å; M396-F415 HydrophobicContact CE-CG 3.75Å; M396-F415 HydrophobicContact CE-CZ 3.67Å; M396-F415 HydrophobicContact SD-CB 4.31Å; M396-F415 HydrophobicContact SD-CD1 4.08Å; M396-F415 HydrophobicContact SD-CG 4.06Å; F402-F415 AromaticContact CD1-CD2 3.62Å; F402-F415 HydrophobicContact CD1-CD2 3.62Å; F402-F415 AromaticContact CD1-CE2 3.63Å; F402-F415 HydrophobicContact CD1-CE2 3.63Å; F402-F415 HydrophobicContact CE1-CD2 4.15Å; F402-F415 AromaticContact CE1-CE2 3.65Å; F402-F415 HydrophobicContact CE1-CE2 3.65Å; F402-F415 HydrophobicContact CE1-CZ 4.4Å; Q403-F415 CarbonylContact O-C 3.47Å; Q403-F415 WeakPolarHBondContact O-CA 3.36Å; Q403-F415 WeakPolarHBondContact O-CB 3.29Å; L404-F415 HydrophobicContact CD2-CB 4.28Å; F415-F465 WeakPolarHBondContact O-CB 3.38Å; F415-F466 HydrophobicContact CD1-CB 4.09Å; F415-F466 HydrophobicContact CD2-CB 4.38Å; F415-F466 HydrophobicContact CD2-CD2 4.48Å; F415-F466 HydrophobicContact CE1-CB 3.59Å; F415-F466 HydrophobicContact CE2-CB 3.92Å; F415-F466 AromaticContact CE2-CD2 3.84Å; F415-F466 HydrophobicContact CE2-CD2 3.84Å; F415-F466 HydrophobicContact CE2-CG 4.21Å; F415-F466 HydrophobicContact CG-CB 4.47Å; F415-F466 HydrophobicContact CZ-CB 3.5Å; F415-F466 HydrophobicContact CZ-CD2 4.11Å; F415-F466 HydrophobicContact CZ-CG 4.01Å; F415-F466 PolarHBondContact N-O 3.1Å; F415-F466 PolarHBondContact O-N 3.33Å; F415-I468 HydrophobicContact CE1-CG2 4.23Å; F415-F483 AromaticContact CE1-CE1 3.95Å; F415-F483 HydrophobicContact CE1-CE1 3.95Å; F415-F483 AromaticContact CE1-CZ 3.88Å; F415-F483 HydrophobicContact CE1-CZ 3.88Å; F415-F483 AromaticContact CZ-CE1 3.68Å; F415-F483 HydrophobicContact CZ-CE1 3.68Å; F415-F483 AromaticContact CZ-CZ 3.6Å; F415-F483 HydrophobicContact CZ-CZ 3.6Å
416W98.8Very high97.4Very high28 Ų2836.9 Ų36.911%0.10621%0.213CC..EExtended strand (participates in β ladder)trans-90.3150.2160.5-69-70.2000110.4Q403 L405 I418 L435 R462 V463 N464 F465Q403-W416 HydrophobicContact CB-CB 4.49Å; Q403-W416 HydrophobicContact CG-CE3 4.3Å; Q403-W416 PolarHBondContact N-O 3.46Å; Q403-W416 PolarHBondContact O-N 2.82Å; L405-W416 HydrophobicContact CD1-CD2 3.65Å; L405-W416 HydrophobicContact CD1-CE3 3.36Å; L405-W416 HydrophobicContact CD1-CG 4.33Å; L405-W416 HydrophobicContact CD1-CH2 4.04Å; L405-W416 HydrophobicContact CD1-CZ2 4.31Å; L405-W416 HydrophobicContact CD1-CZ3 3.56Å; L405-W416 HydrophobicContact CD2-CH2 4.37Å; L405-W416 HydrophobicContact CD2-CZ2 4.45Å; L405-W416 HydrophobicContact CG-CE3 4.12Å; L405-W416 HydrophobicContact CG-CH2 3.95Å; L405-W416 HydrophobicContact CG-CZ2 4.42Å; L405-W416 HydrophobicContact CG-CZ3 3.79Å; W416-I418 HydrophobicContact CB-CD1 3.73Å; W416-L435 HydrophobicContact CB-CD1 4.28Å; W416-L435 HydrophobicContact CD2-CD2 4.14Å; W416-L435 HydrophobicContact CG-CD1 4.32Å; W416-L435 HydrophobicContact CG-CD2 3.95Å; W416-L435 HydrophobicContact CG-CG 4.35Å; W416-R462 HydrophobicContact CH2-CB 4.26Å; W416-R462 HydrophobicContact CH2-CG 4.21Å; W416-R462 HydrophobicContact CZ2-CB 3.88Å; W416-R462 HydrophobicContact CZ2-CG 4.34Å; W416-V463 HydrophobicContact CZ2-CG2 4.45Å; W416-V463 PolarHBondContact NE1-O 3.46Å; W416-V463 VanDerWaalsContact NE1-O 3.15Å; W416-N464 PolarHBondContact NE1-O 3.46Å; W416-F465 HydrophobicContact CD2-CB 4.4Å; W416-F465 HydrophobicContact CG-CB 4.18Å
417F98.8Very high97.4Very high4 Ų444.7 Ų44.72%0.01824%0.235CC..EExtended strand (participates in β ladder)trans-102.2122.3158.5-178.6-100.7000108.6G401 F402 P419 V438 I442 F466 I487 E488G401-F417 CarbonylContact O-C 3.52Å; G401-F417 WeakPolarHBondContact O-CA 3.47Å; F402-F417 HydrophobicContact CD1-CD2 4.37Å; F402-F417 HydrophobicContact CE1-CD2 4.11Å; F402-F417 HydrophobicContact CE2-CD2 4.3Å; F402-F417 HydrophobicContact CE2-CE2 4.31Å; F402-F417 HydrophobicContact CZ-CD2 4.07Å; F402-F417 HydrophobicContact CZ-CE2 4.36Å; F417-P419 HydrophobicContact CE1-CB 4.13Å; F417-P419 WeakPolarHBondContact O-CD 3.48Å; F417-V438 HydrophobicContact CD1-CG1 4.26Å; F417-V438 WeakPolarHBondContact O-CG1 3.45Å; F417-I442 HydrophobicContact CB-CD1 4.36Å; F417-I442 HydrophobicContact CD1-CD1 3.61Å; F417-I442 HydrophobicContact CE1-CD1 4.31Å; F417-I442 HydrophobicContact CG-CD1 4.25Å; F417-F466 HydrophobicContact CB-CE2 4.34Å; F417-I487 HydrophobicContact CB-CG2 3.77Å; F417-I487 HydrophobicContact CD1-CG2 4.34Å; F417-I487 HydrophobicContact CD2-CG2 3.6Å; F417-I487 HydrophobicContact CE2-CG2 4.29Å; F417-I487 HydrophobicContact CG-CG2 3.62Å; F417-E488 HydrophobicContact CE2-CB 4.4Å; F417-E488 HydrophobicContact CE2-CG 3.69Å; F417-E488 HydrophobicContact CZ-CG 4.22Å
418I98.7Very high97.5Very high9 Ų942.4 Ų42.45%0.04622%0.223CC..  trans-101.3103.4179.7-46.1-52.9000107.6G401 Q403 W416 L422 R423 Y431 L435G401-I418 WeakPolarHBondContact CA-O 3.09Å; G401-I418 PolarHBondContact O-N 3.13Å; Q403-I418 HydrophobicContact CB-CG1 4.3Å; W416-I418 HydrophobicContact CB-CD1 3.73Å; I418-L422 HydrophobicContact CG2-CB 3.92Å; I418-R423 HydrophobicContact CG2-CG 4.02Å; I418-R423 PolarHBondContact O-NE 3.15Å; I418-Y431 WeakPolarHBondContact CD1-OH 3.29Å; I418-L435 HydrophobicContact CD1-CD1 3.46Å; I418-L435 VanDerWaalsContact CD1-CD1 3.46Å; I418-L435 HydrophobicContact CD1-CD2 3.92Å; I418-L435 HydrophobicContact CD1-CG 4.35Å
419P98.4Very high97.4Very high0 Ų045.7 Ų45.70%025%0.254CS..  trans-68.4159.5-177.432.7-38000110.7F417 S421 L422 R423 V438 G491 L494F417-P419 HydrophobicContact CE1-CB 4.13Å; F417-P419 WeakPolarHBondContact O-CD 3.48Å; P419-S421 PolarHBondContact O-N 3.41Å; P419-L422 HydrophobicContact CG-CB 4.23Å; P419-L422 HydrophobicContact CG-CD1 4Å; P419-L422 HydrophobicContact CG-CG 3.99Å; P419-L422 PolarHBondContact O-N 3.29Å; P419-R423 PolarHBondContact O-N 2.98Å; P419-V438 HydrophobicContact CG-CG1 4.48Å; P419-V438 HydrophobicContact CG-CG2 3.93Å; P419-G491 WeakPolarHBondContact CB-O 3.27Å; P419-L494 HydrophobicContact CB-CB 3.78Å; P419-L494 WeakPolarHBondContact CB-O 3.28Å; P419-L494 HydrophobicContact CG-CB 4.09Å
420P98.5Very high97.4Very high54 Ų5445.8 Ų45.835%0.35126%0.256SS..G310 helixtrans-50.4-35.3-177.8-29.336.9000114L422 N492P420-L422 PolarHBondContact O-N 3.14Å; P420-N492 WeakPolarHBondContact CD-O 3.15Å; P420-N492 WeakPolarHBondContact CG-O 3.26Å
421S97.8Very high97.3Very high47 Ų4746 Ų4633%0.32926%0.257SS..G310 helixtrans-66.2-19.4179.872.60000114.7P419 K425 L494P419-S421 PolarHBondContact O-N 3.41Å; S421-K425 WeakPolarHBondContact O-CD 3.27Å; S421-K425 VanDerWaalsContact O-CE 3.27Å; S421-K425 WeakPolarHBondContact O-CE 3.42Å; S421-K425 PolarHBondContact O-NZ 3.1Å; S421-L494 WeakPolarHBondContact CB-O 3.5Å; S421-L494 PolarHBondContact OG-O 3.02Å; S421-L494 PolarHBondContact OG-OXT 3.18Å; S421-L494 VanDerWaalsContact OG-OXT 3.08Å
422L98.2Very high97.2Very high11 Ų1150.2 Ų50.26%0.05828%0.277CS..G310 helixtrans-109-11.2-177-64.6-174.4000114.3I418 P419 P420 G424 K425 Y431 K434 L435 V438I418-L422 HydrophobicContact CG2-CB 3.92Å; P419-L422 HydrophobicContact CG-CB 4.23Å; P419-L422 HydrophobicContact CG-CD1 4Å; P419-L422 HydrophobicContact CG-CG 3.99Å; P419-L422 PolarHBondContact O-N 3.29Å; P420-L422 PolarHBondContact O-N 3.14Å; L422-G424 PolarHBondContact O-N 3.49Å; L422-K425 WeakPolarHBondContact O-CB 3.3Å; L422-K425 PolarHBondContact O-N 3.15Å; L422-Y431 HydrophobicContact CB-CE2 4.13Å; L422-Y431 WeakPolarHBondContact O-CE2 3.35Å; L422-K434 HydrophobicContact CD1-CB 3.99Å; L422-K434 HydrophobicContact CD2-CB 3.87Å; L422-K434 HydrophobicContact CD2-CD 3.88Å; L422-L435 HydrophobicContact CD1-CB 4.4Å; L422-V438 HydrophobicContact CD1-CG2 4.11Å
423R97.3Very high97.2Very high81 Ų8155.5 Ų55.531%0.30631%0.305SS..THydrogen-bonded Turntrans-61.5130-178.5-65.5177-171.3174.93.5111.1E400 I418 P419 K425E400-R423 PolarHBondContact O-NH2 3.4Å; E400-R423 IonicContact OE2-CZ 3.15Å; E400-R423 IonicContact OE2-NH1 3.9Å; E400-R423 PolarHBondContact OE2-NH1 3.3Å; I418-R423 HydrophobicContact CG2-CG 4.02Å; I418-R423 PolarHBondContact O-NE 3.15Å; P419-R423 PolarHBondContact O-N 2.98Å; R423-K425 VanDerWaalsContact C-N 3.28Å; R423-K425 PolarHBondContact O-N 3.02Å
424G96.1Very high97.2Very high64 Ų6460.2 Ų60.266%0.6633%0.325SS*.THydrogen-bonded Turntrans74.912.8179.200000114.8L422 E426L422-G424 PolarHBondContact O-N 3.49Å; G424-E426 WeakPolarHBondContact CA-OE2 3.08Å; G424-E426 PolarHBondContact N-OE1 3.08Å; G424-E426 VanDerWaalsContact N-OE1 3.14Å
425K96.6Very high97.1Very high94 Ų9459.9 Ų59.941%0.40932%0.323SS..  trans-112.421-178.4-60.8-175.2-173.2169.20113S421 L422 R423 K427 N428 Y431S421-K425 WeakPolarHBondContact O-CD 3.27Å; S421-K425 VanDerWaalsContact O-CE 3.27Å; S421-K425 WeakPolarHBondContact O-CE 3.42Å; S421-K425 PolarHBondContact O-NZ 3.1Å; L422-K425 WeakPolarHBondContact O-CB 3.3Å; L422-K425 PolarHBondContact O-N 3.15Å; R423-K425 VanDerWaalsContact C-N 3.28Å; R423-K425 PolarHBondContact O-N 3.02Å; K425-K427 PolarHBondContact O-N 3.34Å; K425-K427 VanDerWaalsContact O-N 3.11Å; K425-N428 VanDerWaalsContact O-CB 3.31Å; K425-N428 WeakPolarHBondContact O-CB 3.4Å; K425-N428 PolarHBondContact O-N 3Å; K425-Y431 HydrophobicContact CB-CD2 4.37Å; K425-Y431 VanDerWaalsContact O-CD2 3.27Å; K425-Y431 WeakPolarHBondContact O-CD2 3.48Å
426E94.9Very high97.1Very high105 Ų10560.9 Ų60.949%0.49133%0.332SS..THydrogen-bonded Turntrans-60.6-25.3-174.7-5974.7-162.400112.4G424 N428 Y431G424-E426 WeakPolarHBondContact CA-OE2 3.08Å; G424-E426 PolarHBondContact N-OE1 3.08Å; G424-E426 VanDerWaalsContact N-OE1 3.14Å; E426-N428 VanDerWaalsContact C-N 3.33Å; E426-Y431 HydrophobicContact CG-CE1 4.41Å; E426-Y431 HydrophobicContact CG-CE2 4.13Å
427K94.4Very high97.1Very high206 Ų20666.7 Ų66.790%0.89636%0.357SS*.THydrogen-bonded Turntrans-80.7-8.7177.5-63.9-175.6179.9179.10114K425K425-K427 PolarHBondContact O-N 3.34Å; K425-K427 VanDerWaalsContact O-N 3.11Å
428N95.5Very high97.1Very high75 Ų7566.9 Ų66.940%0.40136%0.359SS..SBendtrans-71.1135.7178.7-70.63.2000110.2K425 E426 D430 Y431K425-N428 VanDerWaalsContact O-CB 3.31Å; K425-N428 WeakPolarHBondContact O-CB 3.4Å; K425-N428 PolarHBondContact O-N 3Å; E426-N428 VanDerWaalsContact C-N 3.33Å; N428-D430 PolarHBondContact O-N 3.24Å; N428-D430 VanDerWaalsContact O-N 3.09Å; N428-Y431 VanDerWaalsContact O-CB 3.24Å; N428-Y431 WeakPolarHBondContact O-CB 3.22Å; N428-Y431 PolarHBondContact O-N 2.94Å
429A94Very high97.1Very high110 Ų11066.6 Ų66.691%0.90936%0.358SS*.THydrogen-bonded Turntrans-59.1-26.4-178.600000113.5
430D96Very high97.1Very high60 Ų6068.2 Ų68.232%0.32137%0.369SS..THydrogen-bonded Turntrans-97.54.1179.870.5-13.8000114.3N428 Q432 N433 K434N428-D430 PolarHBondContact O-N 3.24Å; N428-D430 VanDerWaalsContact O-N 3.09Å; D430-Q432 PolarHBondContact O-N 2.76Å; D430-N433 PolarHBondContact O-N 2.78Å; D430-K434 PolarHBondContact O-N 3.13Å; D430-K434 IonicContact OD1-NZ 3.86Å; D430-K434 WeakPolarHBondContact OD2-CE 3.47Å; D430-K434 IonicContact OD2-NZ 3.64Å; D430-K434 PolarHBondContact OD2-NZ 3.49Å
431Y97Very high97.2Very high8 Ų867.9 Ų67.93%0.03137%0.365CS..Hα-helixtrans-56.1-51.5-175.5177.1-93.7000112.2I418 L422 K425 E426 N428 N433 K434 L435I418-Y431 WeakPolarHBondContact CD1-OH 3.29Å; L422-Y431 HydrophobicContact CB-CE2 4.13Å; L422-Y431 WeakPolarHBondContact O-CE2 3.35Å; K425-Y431 HydrophobicContact CB-CD2 4.37Å; K425-Y431 VanDerWaalsContact O-CD2 3.27Å; K425-Y431 WeakPolarHBondContact O-CD2 3.48Å; E426-Y431 HydrophobicContact CG-CE1 4.41Å; E426-Y431 HydrophobicContact CG-CE2 4.13Å; N428-Y431 VanDerWaalsContact O-CB 3.24Å; N428-Y431 WeakPolarHBondContact O-CB 3.22Å; N428-Y431 PolarHBondContact O-N 2.94Å; Y431-N433 VanDerWaalsContact C-N 3.32Å; Y431-N433 PolarHBondContact O-N 3.3Å; Y431-K434 PolarHBondContact O-N 2.91Å; Y431-L435 HydrophobicContact CE1-CB 4.48Å; Y431-L435 HydrophobicContact CE1-CD2 3.76Å; Y431-L435 WeakPolarHBondContact O-CB 3.39Å; Y431-L435 PolarHBondContact O-N 3.35Å
432Q96.6Very high97.2Very high88 Ų8865.7 Ų65.741%0.41135%0.35SS..Hα-helixtrans-62.7-39.1-179.3-68.3-62.8-25.800111.9D430 K434 L435 A436 V463D430-Q432 PolarHBondContact O-N 2.76Å; Q432-K434 VanDerWaalsContact C-N 3.34Å; Q432-K434 PolarHBondContact O-N 3.31Å; Q432-L435 PolarHBondContact O-N 3.21Å; Q432-A436 VanDerWaalsContact O-CB 3.29Å; Q432-A436 WeakPolarHBondContact O-CB 3.15Å; Q432-A436 PolarHBondContact O-N 2.86Å; Q432-V463 HydrophobicContact CB-CG1 4.18Å
433N97.1Very high97.2Very high111 Ų11166.6 Ų66.659%0.59435%0.353SS*.Hα-helixtrans-66.6-35.5177.6-71.9-25.2000112.5D430 Y431D430-N433 PolarHBondContact O-N 2.78Å; Y431-N433 VanDerWaalsContact C-N 3.32Å; Y431-N433 PolarHBondContact O-N 3.3Å
434K98.1Very high97.3Very high99 Ų9967.4 Ų67.443%0.4336%0.361SS..Hα-helixtrans-73.1-46.3174.2-74.1174.4167.9162.60111.1L422 D430 Y431 Q432 A436 K437L422-K434 HydrophobicContact CD1-CB 3.99Å; L422-K434 HydrophobicContact CD2-CB 3.87Å; L422-K434 HydrophobicContact CD2-CD 3.88Å; D430-K434 PolarHBondContact O-N 3.13Å; D430-K434 IonicContact OD1-NZ 3.86Å; D430-K434 WeakPolarHBondContact OD2-CE 3.47Å; D430-K434 IonicContact OD2-NZ 3.64Å; D430-K434 PolarHBondContact OD2-NZ 3.49Å; Y431-K434 PolarHBondContact O-N 2.91Å; Q432-K434 VanDerWaalsContact C-N 3.34Å; Q432-K434 PolarHBondContact O-N 3.31Å; K434-A436 VanDerWaalsContact C-N 3.3Å; K434-A436 PolarHBondContact O-N 3.13Å; K434-K437 PolarHBondContact O-N 2.98Å; K434-K437 VanDerWaalsContact O-N 3.08Å
435L98.4Very high97.4Very high3 Ų367.5 Ų67.52%0.01634%0.341CS..Hα-helixtrans-59.3-40.2178.2-178.357.1000112.1W416 I418 L422 Y431 Q432 K437 V438 V463W416-L435 HydrophobicContact CB-CD1 4.28Å; W416-L435 HydrophobicContact CD2-CD2 4.14Å; W416-L435 HydrophobicContact CG-CD1 4.32Å; W416-L435 HydrophobicContact CG-CD2 3.95Å; W416-L435 HydrophobicContact CG-CG 4.35Å; I418-L435 HydrophobicContact CD1-CD1 3.46Å; I418-L435 VanDerWaalsContact CD1-CD1 3.46Å; I418-L435 HydrophobicContact CD1-CD2 3.92Å; I418-L435 HydrophobicContact CD1-CG 4.35Å; L422-L435 HydrophobicContact CD1-CB 4.4Å; Y431-L435 HydrophobicContact CE1-CB 4.48Å; Y431-L435 HydrophobicContact CE1-CD2 3.76Å; Y431-L435 WeakPolarHBondContact O-CB 3.39Å; Y431-L435 PolarHBondContact O-N 3.35Å; Q432-L435 PolarHBondContact O-N 3.21Å; L435-K437 PolarHBondContact O-N 3.4Å; L435-V438 HydrophobicContact CD1-CG2 4.29Å; L435-V438 WeakPolarHBondContact O-CB 3.31Å; L435-V438 PolarHBondContact O-N 2.94Å; L435-V463 HydrophobicContact CB-CG2 4.34Å; L435-V463 HydrophobicContact CD2-CG2 4.18Å; L435-V463 HydrophobicContact CG-CG2 4.07Å
436A98.3Very high97.5Very high22 Ų2263 Ų6318%0.18232%0.322CS..Hα-helixtrans-55.6-25.2176.700000114Q432 K434 P440 V463 N464Q432-A436 VanDerWaalsContact O-CB 3.29Å; Q432-A436 WeakPolarHBondContact O-CB 3.15Å; Q432-A436 PolarHBondContact O-N 2.86Å; K434-A436 VanDerWaalsContact C-N 3.3Å; K434-A436 PolarHBondContact O-N 3.13Å; A436-P440 WeakPolarHBondContact O-CD 2.91Å; A436-V463 HydrophobicContact CB-CB 3.77Å; A436-V463 HydrophobicContact CB-CG1 4.09Å; A436-V463 HydrophobicContact CB-CG2 4.28Å; A436-N464 WeakPolarHBondContact O-CB 3.39Å; A436-N464 PolarHBondContact O-ND2 3.36Å
437K98.6Very high97.7Very high149 Ų14959.2 Ų59.265%0.64830%0.304SS*.Hα-helixtrans-90.6-15.8-178.8-62.9178.9-177.4-177.60113.3K434 L435 P440 V441K434-K437 PolarHBondContact O-N 2.98Å; K434-K437 VanDerWaalsContact O-N 3.08Å; L435-K437 PolarHBondContact O-N 3.4Å; K437-P440 WeakPolarHBondContact O-CD 3.46Å; K437-V441 WeakPolarHBondContact O-CG2 3.42Å; K437-V441 PolarHBondContact O-N 2.96Å
438V98.8Very high97.9Very high8 Ų854.9 Ų54.95%0.04829%0.285CS..Hα-helixtrans-64.6-55.2-175.2176.50000111.5F417 P419 L422 L435 V441 I442 L494F417-V438 HydrophobicContact CD1-CG1 4.26Å; F417-V438 WeakPolarHBondContact O-CG1 3.45Å; P419-V438 HydrophobicContact CG-CG1 4.48Å; P419-V438 HydrophobicContact CG-CG2 3.93Å; L422-V438 HydrophobicContact CD1-CG2 4.11Å; L435-V438 HydrophobicContact CD1-CG2 4.29Å; L435-V438 WeakPolarHBondContact O-CB 3.31Å; L435-V438 PolarHBondContact O-N 2.94Å; V438-V441 PolarHBondContact O-N 2.96Å; V438-I442 HydrophobicContact CG1-CD1 3.66Å; V438-I442 HydrophobicContact CG1-CG1 4.36Å; V438-I442 PolarHBondContact O-N 2.94Å; V438-L494 HydrophobicContact CG1-CD1 4.01Å
439A98.8Very high98Very high3 Ų355 Ų553%0.02528%0.284CS..Hα-helixtrans-60.3-43.1-176.900000113.6V441 I442 K443 Y456 N464 F466A439-V441 PolarHBondContact O-N 3.09Å; A439-I442 PolarHBondContact O-N 3.31Å; A439-K443 VanDerWaalsContact O-CB 3.31Å; A439-K443 WeakPolarHBondContact O-CB 3.02Å; A439-K443 PolarHBondContact O-N 3.36Å; A439-Y456 HydrophobicContact CB-CD2 4.34Å; A439-Y456 HydrophobicContact CB-CG 4.06Å; A439-N464 HydrophobicContact CB-CB 4.34Å; A439-F466 HydrophobicContact CB-CD1 4.45Å; A439-F466 HydrophobicContact CB-CD2 4.2Å; A439-F466 HydrophobicContact CB-CE1 4.01Å; A439-F466 HydrophobicContact CB-CE2 3.73Å; A439-F466 HydrophobicContact CB-CZ 3.63Å
440P98.8Very high98.2Very high35 Ų3549.9 Ų49.923%0.22724%0.241CC..Hα-helixtrans-54.3-46.5171.2-27.432.2000114.4A436 K437 K443 E444 Y456A436-P440 WeakPolarHBondContact O-CD 2.91Å; K437-P440 WeakPolarHBondContact O-CD 3.46Å; P440-K443 PolarHBondContact O-N 3.01Å; P440-E444 PolarHBondContact O-N 3.49Å; P440-Y456 HydrophobicContact CB-CE2 4.33Å; P440-Y456 HydrophobicContact CG-CD2 4.39Å; P440-Y456 HydrophobicContact CG-CE2 3.69Å
441V98.8Very high98.3Very high47 Ų4748.6 Ų48.629%0.28524%0.235SC..Hα-helixtrans-67.8-45.2-177.6175.10000111.2K437 V438 A439 K443 E444 R445 L494K437-V441 WeakPolarHBondContact O-CG2 3.42Å; K437-V441 PolarHBondContact O-N 2.96Å; V438-V441 PolarHBondContact O-N 2.96Å; A439-V441 PolarHBondContact O-N 3.09Å; V441-K443 VanDerWaalsContact C-N 3.29Å; V441-K443 PolarHBondContact O-N 3.49Å; V441-E444 PolarHBondContact O-N 3.01Å; V441-R445 VanDerWaalsContact O-CG 3.3Å; V441-R445 WeakPolarHBondContact O-CG 3.44Å; V441-R445 PolarHBondContact O-N 3.46Å; V441-L494 HydrophobicContact CB-CD1 4.32Å; V441-L494 HydrophobicContact CB-CD2 4.43Å; V441-L494 HydrophobicContact CG1-CD1 4.18Å; V441-L494 HydrophobicContact CG1-CD2 3.63Å
442I98.9Very high98.4Very high0 Ų048.2 Ų48.20%023%0.234CC..Hα-helixtrans-61.1-40.3175.5-67176.2000110.5F417 V438 A439 R445 M446 F466 I487 L490 L494F417-I442 HydrophobicContact CB-CD1 4.36Å; F417-I442 HydrophobicContact CD1-CD1 3.61Å; F417-I442 HydrophobicContact CE1-CD1 4.31Å; F417-I442 HydrophobicContact CG-CD1 4.25Å; V438-I442 HydrophobicContact CG1-CD1 3.66Å; V438-I442 HydrophobicContact CG1-CG1 4.36Å; V438-I442 PolarHBondContact O-N 2.94Å; A439-I442 PolarHBondContact O-N 3.31Å; I442-R445 PolarHBondContact O-N 3.37Å; I442-M446 HydrophobicContact CG2-CE 3.64Å; I442-M446 PolarHBondContact O-N 2.96Å; I442-F466 HydrophobicContact CB-CZ 3.89Å; I442-F466 HydrophobicContact CD1-CE2 4.32Å; I442-F466 HydrophobicContact CD1-CZ 4.44Å; I442-F466 HydrophobicContact CG2-CE2 4.46Å; I442-F466 HydrophobicContact CG2-CZ 3.75Å; I442-I487 HydrophobicContact CG2-CD1 3.77Å; I442-L490 HydrophobicContact CG2-CB 4.02Å; I442-L490 HydrophobicContact CG2-CD1 4.4Å; I442-L494 HydrophobicContact CD1-CD1 4.07Å; I442-L494 HydrophobicContact CG1-CD1 3.61Å
443K98.8Very high98.5Very high30 Ų3044.6 Ų44.613%0.1322%0.217CC..Hα-helixtrans-63.2-43.7175.3178.753.7173.6-75.70112.5N92 A439 P440 V441 R445 M446 M447 V454 Y456N92-K443 PolarHBondContact OD1-NZ 3.02Å; A439-K443 VanDerWaalsContact O-CB 3.31Å; A439-K443 WeakPolarHBondContact O-CB 3.02Å; A439-K443 PolarHBondContact O-N 3.36Å; P440-K443 PolarHBondContact O-N 3.01Å; V441-K443 VanDerWaalsContact C-N 3.29Å; V441-K443 PolarHBondContact O-N 3.49Å; K443-R445 VanDerWaalsContact C-N 3.32Å; K443-R445 PolarHBondContact O-N 3.36Å; K443-M446 HydrophobicContact CD-CG 3.85Å; K443-M446 HydrophobicContact CD-SD 3.59Å; K443-M446 VanDerWaalsContact CD-SD 3.59Å; K443-M446 WeakPolarHBondContact O-CG 3.43Å; K443-M446 PolarHBondContact O-N 2.76Å; K443-M447 HydrophobicContact CD-CG 3.91Å; K443-M447 HydrophobicContact CD-SD 4.48Å; K443-M447 HydrophobicContact CG-CG 4.42Å; K443-M447 WeakPolarHBondContact O-CB 3.19Å; K443-M447 WeakPolarHBondContact O-CG 3.28Å; K443-M447 PolarHBondContact O-N 3.44Å; K443-V454 PolarHBondContact NZ-O 2.96Å; K443-Y456 HydrophobicContact CB-CD1 3.68Å; K443-Y456 HydrophobicContact CB-CE1 3.55Å; K443-Y456 HydrophobicContact CG-CD1 3.89Å; K443-Y456 HydrophobicContact CG-CE1 3.64Å
444E98.8Very high98.6Very high98 Ų9839.3 Ų39.346%0.45819%0.189SC..Hα-helixtrans-59.6-45.8175.8-173.1-171.7164.900111.1P440 V441 M447 K448P440-E444 PolarHBondContact O-N 3.49Å; V441-E444 PolarHBondContact O-N 3.01Å; E444-M447 PolarHBondContact O-N 3.31Å; E444-K448 HydrophobicContact CG-CD 4.22Å; E444-K448 PolarHBondContact O-N 3.44Å; E444-K448 WeakPolarHBondContact OE1-CE 3.33Å; E444-K448 IonicContact OE1-NZ 3.36Å; E444-K448 PolarHBondContact OE1-NZ 3.24Å
445R98.8Very high98.6Very high67 Ų6735 Ų3525%0.25317%0.172SC..Hα-helixtrans-62.4-45179.7-66.7169.6173-157.3-7.4112.3V441 I442 K443 M447 K448 Q449 L490 D493V441-R445 VanDerWaalsContact O-CG 3.3Å; V441-R445 WeakPolarHBondContact O-CG 3.44Å; V441-R445 PolarHBondContact O-N 3.46Å; I442-R445 PolarHBondContact O-N 3.37Å; K443-R445 VanDerWaalsContact C-N 3.32Å; K443-R445 PolarHBondContact O-N 3.36Å; R445-M447 VanDerWaalsContact C-N 3.34Å; R445-M447 PolarHBondContact O-N 3.48Å; R445-K448 PolarHBondContact O-N 2.97Å; R445-Q449 WeakPolarHBondContact O-CB 3.39Å; R445-Q449 VanDerWaalsContact O-CG 3.3Å; R445-Q449 WeakPolarHBondContact O-CG 3.29Å; R445-Q449 PolarHBondContact O-N 3.07Å; R445-L490 HydrophobicContact CB-CD1 4.48Å; R445-L490 HydrophobicContact CB-CD2 3.89Å; R445-L490 WeakPolarHBondContact CD-O 3.15Å; R445-L490 PolarHBondContact NH1-O 2.81Å; R445-D493 IonicContact CZ-OD1 3.54Å; R445-D493 IonicContact CZ-OD2 2.7Å; R445-D493 IonicContact NH1-OD1 3.44Å; R445-D493 PolarHBondContact NH1-OD1 2.88Å; R445-D493 IonicContact NH1-OD2 2.77Å; R445-D493 PolarHBondContact NH1-OD2 2.84Å; R445-D493 IonicContact NH2-OD1 2.86Å; R445-D493 IonicContact NH2-OD2 3.78Å; R445-D493 PolarHBondContact NH2-OD2 3.03Å
446M98.4Very high98.6Very high0 Ų038.8 Ų38.80%019%0.187CC..Hα-helixtrans-66-35.3177.670.8-177.464.900112.4I442 K443 G450 T451 M452 V454 F466 I487 L490I442-M446 HydrophobicContact CG2-CE 3.64Å; I442-M446 PolarHBondContact O-N 2.96Å; K443-M446 HydrophobicContact CD-CG 3.85Å; K443-M446 HydrophobicContact CD-SD 3.59Å; K443-M446 VanDerWaalsContact CD-SD 3.59Å; K443-M446 WeakPolarHBondContact O-CG 3.43Å; K443-M446 PolarHBondContact O-N 2.76Å; M446-G450 WeakPolarHBondContact O-CA 3.42Å; M446-G450 PolarHBondContact O-N 3.2Å; M446-T451 PolarHBondContact O-N 2.79Å; M446-M452 HydrophobicContact CB-CG 4.23Å; M446-M452 HydrophobicContact CE-CE 3.72Å; M446-M452 WeakPolarHBondContact CG-O 3.44Å; M446-M452 HydrophobicContact SD-CE 4.38Å; M446-M452 HydrophobicContact SD-CG 4.14Å; M446-V454 HydrophobicContact CE-CG1 3.79Å; M446-V454 HydrophobicContact SD-CG1 3.84Å; M446-F466 HydrophobicContact CE-CE1 4.38Å; M446-I487 HydrophobicContact CE-CD1 3.88Å; M446-L490 HydrophobicContact CB-CD1 3.57Å
447M98.5Very high98.6Very high25 Ų2539.3 Ų39.312%0.12319%0.185CC..Hα-helixtrans-66.2-46.3177.1-73.6-67.1-56.200111.6C45 W47 K443 E444 R445 Q449 G450 M453C45-M447 PolarHBondContact SG-O 3.38Å; C45-M447 VanDerWaalsContact SG-O 3.38Å; W47-M447 WeakPolarHBondContact CB-O 3.28Å; W47-M447 HydrophobicContact CE3-CE 3.57Å; W47-M447 HydrophobicContact CZ3-CE 3.96Å; K443-M447 HydrophobicContact CD-CG 3.91Å; K443-M447 HydrophobicContact CD-SD 4.48Å; K443-M447 HydrophobicContact CG-CG 4.42Å; K443-M447 WeakPolarHBondContact O-CB 3.19Å; K443-M447 WeakPolarHBondContact O-CG 3.28Å; K443-M447 PolarHBondContact O-N 3.44Å; E444-M447 PolarHBondContact O-N 3.31Å; R445-M447 VanDerWaalsContact C-N 3.34Å; R445-M447 PolarHBondContact O-N 3.48Å; M447-Q449 VanDerWaalsContact C-N 3.34Å; M447-Q449 PolarHBondContact O-N 2.95Å; M447-G450 PolarHBondContact O-N 3.2Å; M447-M453 HydrophobicContact CE-CE 4.09Å; M447-M453 HydrophobicContact CE-SD 4.46Å; M447-M453 HydrophobicContact SD-CE 3.53Å; M447-M453 VanDerWaalsContact SD-CE 3.53Å; M447-M453 HydrophobicContact SD-CG 3.75Å; M447-M453 HydrophobicContact SD-SD 3.88Å
448K98.5Very high98.6Very high114 Ų11435.9 Ų35.950%0.49618%0.179SC..Hα-helixtrans-66-35.9178.7-75-180171.11730112.3E444 R445E444-K448 HydrophobicContact CG-CD 4.22Å; E444-K448 PolarHBondContact O-N 3.44Å; E444-K448 WeakPolarHBondContact OE1-CE 3.33Å; E444-K448 IonicContact OE1-NZ 3.36Å; E444-K448 PolarHBondContact OE1-NZ 3.24Å; R445-K448 PolarHBondContact O-N 2.97Å
449Q98.4Very high98.4Very high79 Ų7937.6 Ų37.637%0.36919%0.187SC..Hα-helixtrans-81-26.5177.5-66-179.540.400112.6R445 M447 T451R445-Q449 WeakPolarHBondContact O-CB 3.39Å; R445-Q449 VanDerWaalsContact O-CG 3.3Å; R445-Q449 WeakPolarHBondContact O-CG 3.29Å; R445-Q449 PolarHBondContact O-N 3.07Å; M447-Q449 VanDerWaalsContact C-N 3.34Å; M447-Q449 PolarHBondContact O-N 2.95Å; Q449-T451 HydrophobicContact CB-CG2 4.04Å
450G98.4Very high98.1Very high1 Ų141 Ų411%0.0122%0.222CC..THydrogen-bonded Turntrans75.120.7179.800000114.1K43 V44 C45 M446 M447K43-G450 CarbonylContact C-O 3.59Å; K43-G450 WeakPolarHBondContact CA-O 3.42Å; V44-G450 PolarHBondContact N-O 2.73Å; C45-G450 WeakPolarHBondContact O-CA 3.41Å; M446-G450 WeakPolarHBondContact O-CA 3.42Å; M446-G450 PolarHBondContact O-N 3.2Å; M447-G450 PolarHBondContact O-N 3.2Å
451T98.3Very high97.7Very high34 Ų3447.5 Ų47.521%0.20926%0.255CS..SBendtrans-82.4-36.6-171.548.70000113.7R89 M446 Q449 E486R89-T451 WeakPolarHBondContact CD-O 3.32Å; M446-T451 PolarHBondContact O-N 2.79Å; Q449-T451 HydrophobicContact CB-CG2 4.04Å; T451-E486 WeakPolarHBondContact CB-OE1 3.4Å; T451-E486 WeakPolarHBondContact CG2-OE1 3.46Å; T451-E486 PolarHBondContact OG1-OE1 3.3Å
452M98.3Very high97.5Very high0 Ų048.6 Ų48.60%025%0.254CS..  trans-160.5169.3175.466.5177.5-17800111R89 M446 F482 F483 E486 I487R89-M452 HydrophobicContact CB-CB 4.03Å; R89-M452 WeakPolarHBondContact O-CA 3.33Å; R89-M452 WeakPolarHBondContact O-CB 3.48Å; M446-M452 HydrophobicContact CB-CG 4.23Å; M446-M452 HydrophobicContact CE-CE 3.72Å; M446-M452 WeakPolarHBondContact CG-O 3.44Å; M446-M452 HydrophobicContact SD-CE 4.38Å; M446-M452 HydrophobicContact SD-CG 4.14Å; M452-F482 HydrophobicContact CB-CE1 4.41Å; M452-F483 HydrophobicContact CE-CD2 4.45Å; M452-F483 HydrophobicContact SD-CD2 3.71Å; M452-F483 HydrophobicContact SD-CE2 4.31Å; M452-F483 HydrophobicContact SD-CG 4.5Å; M452-E486 HydrophobicContact CE-CB 3.73Å; M452-E486 HydrophobicContact CE-CG 3.5Å; M452-E486 HydrophobicContact CG-CG 4.07Å; M452-E486 HydrophobicContact SD-CB 3.91Å; M452-E486 HydrophobicContact SD-CG 3.81Å; M452-I487 HydrophobicContact CE-CD1 3.48Å; M452-I487 VanDerWaalsContact CE-CD1 3.48Å; M452-I487 HydrophobicContact CE-CG1 3.65Å
453M98.8Very high97.5Very high12 Ų1250 Ų506%0.05926%0.262CS..EExtended strand (participates in β ladder)trans-136.1129.4169.6-65.218061.300111.2V44 C45 I83 R89 F90 F91 N92 M447V44-M453 HydrophobicContact CG1-CB 4.4Å; V44-M453 HydrophobicContact CG1-CG 3.81Å; V44-M453 HydrophobicContact CG1-SD 3.87Å; C45-M453 HydrophobicContact CB-SD 4.4Å; I83-M453 HydrophobicContact CD1-CE 4.42Å; I83-M453 HydrophobicContact CD1-SD 4.06Å; I83-M453 HydrophobicContact CG2-CE 4.33Å; I83-M453 HydrophobicContact CG2-SD 3.61Å; R89-M453 PolarHBondContact O-N 3.48Å; R89-M453 VanDerWaalsContact O-N 3.08Å; F90-M453 HydrophobicContact CD2-CB 4.05Å; F90-M453 HydrophobicContact CD2-CG 4.48Å; F90-M453 HydrophobicContact CD2-SD 3.92Å; F90-M453 HydrophobicContact CE2-CB 4.44Å; F90-M453 HydrophobicContact CE2-CE 4.02Å; F90-M453 HydrophobicContact CE2-SD 3.96Å; F91-M453 CarbonylContact C-O 3.53Å; F91-M453 VanDerWaalsContact CA-O 3.3Å; F91-M453 WeakPolarHBondContact CA-O 3.41Å; F91-M453 WeakPolarHBondContact CB-O 3.29Å; F91-M453 PolarHBondContact N-O 2.96Å; N92-M453 HydrophobicContact CB-CB 3.94Å; N92-M453 HydrophobicContact CB-CE 4.27Å; N92-M453 PolarHBondContact N-O 3.06Å; M447-M453 HydrophobicContact CE-CE 4.09Å; M447-M453 HydrophobicContact CE-SD 4.46Å; M447-M453 HydrophobicContact SD-CE 3.53Å; M447-M453 VanDerWaalsContact SD-CE 3.53Å; M447-M453 HydrophobicContact SD-CG 3.75Å; M447-M453 HydrophobicContact SD-SD 3.88Å
454V98.6Very high97.5Very high0 Ų050.2 Ų50.20%027%0.265CS..EExtended strand (participates in β ladder)trans-136.3149.2172.161.10000111F91 N92 K443 M446 F466 R467 I468 F483 I487F91-V454 HydrophobicContact CB-CB 4.42Å; F91-V454 HydrophobicContact CB-CG2 4.46Å; N92-V454 PolarHBondContact OD1-O 3.39Å; K443-V454 PolarHBondContact NZ-O 2.96Å; M446-V454 HydrophobicContact CE-CG1 3.79Å; M446-V454 HydrophobicContact SD-CG1 3.84Å; V454-F466 HydrophobicContact CG1-CD1 3.69Å; V454-F466 HydrophobicContact CG1-CE1 3.92Å; V454-R467 WeakPolarHBondContact CG2-O 3.46Å; V454-I468 HydrophobicContact CG2-CB 4.13Å; V454-F483 HydrophobicContact CB-CE2 3.87Å; V454-F483 HydrophobicContact CG1-CE2 3.97Å; V454-F483 HydrophobicContact CG2-CE2 3.93Å; V454-F483 HydrophobicContact CG2-CZ 4.16Å; V454-I487 HydrophobicContact CG1-CD1 4.33Å
455G98.4Very high97.5Very high7 Ų745.6 Ų45.67%0.07224%0.244CC..EExtended strand (participates in β ladder)trans-77.3150.5177.500000112.3F466 R467G455-F466 WeakPolarHBondContact O-CA 3.3Å; G455-R467 PolarHBondContact O-N 3.46Å
456Y98.7Very high97.5Very high84 Ų8442.4 Ų42.433%0.32923%0.232SC..EExtended strand (participates in β ladder)trans-138.7152.516674-95.9000109.6A439 P440 K443 N464 F465A439-Y456 HydrophobicContact CB-CD2 4.34Å; A439-Y456 HydrophobicContact CB-CG 4.06Å; P440-Y456 HydrophobicContact CB-CE2 4.33Å; P440-Y456 HydrophobicContact CG-CD2 4.39Å; P440-Y456 HydrophobicContact CG-CE2 3.69Å; K443-Y456 HydrophobicContact CB-CD1 3.68Å; K443-Y456 HydrophobicContact CB-CE1 3.55Å; K443-Y456 HydrophobicContact CG-CD1 3.89Å; K443-Y456 HydrophobicContact CG-CE1 3.64Å; Y456-N464 HydrophobicContact CD2-CB 4.11Å; Y456-F465 CarbonylContact C-O 3.56Å; Y456-F465 WeakPolarHBondContact CA-O 3.48Å; Y456-F465 WeakPolarHBondContact CB-O 3.48Å
457Q98.6Very high97.5Very high32 Ų3243.3 Ų43.315%0.1524%0.235CC..EExtended strand (participates in β ladder)trans-164.8159.8178.765.5-67.5-46.700110.6V250 N464 F465V250-Q457 HydrophobicContact CG1-CG 4.21Å; V250-Q457 HydrophobicContact CG2-CG 4.24Å; Q457-N464 WeakPolarHBondContact O-CA 3.49Å; Q457-F465 PolarHBondContact N-O 3.48Å; Q457-F465 VanDerWaalsContact O-CD1 3.26Å; Q457-F465 WeakPolarHBondContact O-CD1 3.49Å; Q457-F465 WeakPolarHBondContact O-CE1 3.34Å; Q457-F465 PolarHBondContact O-N 2.81Å
458P97.9Very high97.5Very high78 Ų7842.1 Ų42.151%0.50623%0.229SC..EExtended strand (participates in β ladder)trans-82.9165.3162.835.2-31.6000111R462 N464P458-R462 WeakPolarHBondContact CA-O 3.29Å; P458-R462 WeakPolarHBondContact CB-O 3.45Å; P458-N464 VanDerWaalsContact CD-OD1 3.26Å; P458-N464 WeakPolarHBondContact CD-OD1 3.38Å
459L95.6Very high97.4Very high43 Ų4336.7 Ų36.723%0.22521%0.206CC..EExtended strand (participates in β ladder)trans-154.7118.8172.6-177.865.2000110.8V250 Q251 D461 R462 F465V250-L459 HydrophobicContact CB-CD2 4.38Å; V250-L459 HydrophobicContact CG1-CD2 4.06Å; Q251-L459 HydrophobicContact CG-CD2 3.81Å; L459-D461 PolarHBondContact O-N 3.08Å; L459-R462 PolarHBondContact N-O 3.4Å; L459-R462 VanDerWaalsContact O-CB 3.26Å; L459-R462 WeakPolarHBondContact O-CB 3.45Å; L459-R462 PolarHBondContact O-N 3.33Å; L459-F465 HydrophobicContact CB-CE1 3.64Å; L459-F465 HydrophobicContact CB-CZ 3.7Å; L459-F465 HydrophobicContact CD2-CZ 4.32Å
460G91.3Very high97.3Very high74 Ų7433 Ų3376%0.76319%0.189SC*.THydrogen-bonded Turntrans56.3-127.7-173.700000110.5R462G460-R462 VanDerWaalsContact C-N 3.25Å; G460-R462 PolarHBondContact O-N 3.33Å
461D91.4Very high97.2Very high173 Ų17333.2 Ų33.293%0.92519%0.189SC*.THydrogen-bonded Turntrans-82-1.8178.7-60.2-19.1000113.3L459L459-D461 PolarHBondContact O-N 3.08Å
462R95Very high97Very high70 Ų7032 Ų3226%0.26418%0.182SC..EExtended strand (participates in β ladder)trans-84.3121.3179.3-57.3-177.8-175.7161.70.3110.1W416 P458 L459 G460 F465W416-R462 HydrophobicContact CH2-CB 4.26Å; W416-R462 HydrophobicContact CH2-CG 4.21Å; W416-R462 HydrophobicContact CZ2-CB 3.88Å; W416-R462 HydrophobicContact CZ2-CG 4.34Å; P458-R462 WeakPolarHBondContact CA-O 3.29Å; P458-R462 WeakPolarHBondContact CB-O 3.45Å; L459-R462 PolarHBondContact N-O 3.4Å; L459-R462 VanDerWaalsContact O-CB 3.26Å; L459-R462 WeakPolarHBondContact O-CB 3.45Å; L459-R462 PolarHBondContact O-N 3.33Å; G460-R462 VanDerWaalsContact C-N 3.25Å; G460-R462 PolarHBondContact O-N 3.33Å; R462-F465 HydrophobicContact CB-CD1 4.27Å; R462-F465 HydrophobicContact CB-CE1 4.14Å
463V98.1Very high96.7Very high28 Ų2833.7 Ų33.717%0.1719%0.193CC..EExtended strand (participates in β ladder)trans-64.8168.1171.8-58.10000111.7W416 Q432 L435 A436 F465W416-V463 HydrophobicContact CZ2-CG2 4.45Å; W416-V463 PolarHBondContact NE1-O 3.46Å; W416-V463 VanDerWaalsContact NE1-O 3.15Å; Q432-V463 HydrophobicContact CB-CG1 4.18Å; L435-V463 HydrophobicContact CB-CG2 4.34Å; L435-V463 HydrophobicContact CD2-CG2 4.18Å; L435-V463 HydrophobicContact CG-CG2 4.07Å; A436-V463 HydrophobicContact CB-CB 3.77Å; A436-V463 HydrophobicContact CB-CG1 4.09Å; A436-V463 HydrophobicContact CB-CG2 4.28Å; V463-F465 WeakPolarHBondContact O-CD1 3.27Å; V463-F465 PolarHBondContact O-N 3.37Å; V463-F465 VanDerWaalsContact O-N 3.16Å
464N98.7Very high96.6Very high36 Ų3636.1 Ų36.119%0.19321%0.206CC..EExtended strand (participates in β ladder)trans-41.8119.7-177.2-70-36.4000114W416 A436 A439 Y456 Q457 P458W416-N464 PolarHBondContact NE1-O 3.46Å; A436-N464 WeakPolarHBondContact O-CB 3.39Å; A436-N464 PolarHBondContact O-ND2 3.36Å; A439-N464 HydrophobicContact CB-CB 4.34Å; Y456-N464 HydrophobicContact CD2-CB 4.11Å; Q457-N464 WeakPolarHBondContact O-CA 3.49Å; P458-N464 VanDerWaalsContact CD-OD1 3.26Å; P458-N464 WeakPolarHBondContact CD-OD1 3.38Å
465F98.8Very high96.5Very high0 Ų036.2 Ų36.20%021%0.207CC..EExtended strand (participates in β ladder)trans-127.8158.9173.257.6-90.3000110.1V250 L405 C414 F415 W416 Y456 Q457 L459 R462 V463V250-F465 HydrophobicContact CG1-CE2 3.69Å; V250-F465 HydrophobicContact CG1-CZ 3.62Å; L405-F465 HydrophobicContact CD1-CB 4.1Å; L405-F465 HydrophobicContact CD1-CG 4.36Å; L405-F465 HydrophobicContact CD2-CB 4.05Å; L405-F465 HydrophobicContact CD2-CD1 3.5Å; L405-F465 HydrophobicContact CD2-CD2 3.59Å; L405-F465 HydrophobicContact CD2-CE1 3.72Å; L405-F465 HydrophobicContact CD2-CE2 3.77Å; L405-F465 HydrophobicContact CD2-CG 3.44Å; L405-F465 VanDerWaalsContact CD2-CG 3.44Å; L405-F465 HydrophobicContact CD2-CZ 3.84Å; C414-F465 HydrophobicContact CB-CD2 3.88Å; C414-F465 HydrophobicContact CB-CE2 3.76Å; F415-F465 WeakPolarHBondContact O-CB 3.38Å; W416-F465 HydrophobicContact CD2-CB 4.4Å; W416-F465 HydrophobicContact CG-CB 4.18Å; Y456-F465 CarbonylContact C-O 3.56Å; Y456-F465 WeakPolarHBondContact CA-O 3.48Å; Y456-F465 WeakPolarHBondContact CB-O 3.48Å; Q457-F465 PolarHBondContact N-O 3.48Å; Q457-F465 VanDerWaalsContact O-CD1 3.26Å; Q457-F465 WeakPolarHBondContact O-CD1 3.49Å; Q457-F465 WeakPolarHBondContact O-CE1 3.34Å; Q457-F465 PolarHBondContact O-N 2.81Å; L459-F465 HydrophobicContact CB-CE1 3.64Å; L459-F465 HydrophobicContact CB-CZ 3.7Å; L459-F465 HydrophobicContact CD2-CZ 4.32Å; R462-F465 HydrophobicContact CB-CD1 4.27Å; R462-F465 HydrophobicContact CB-CE1 4.14Å; V463-F465 WeakPolarHBondContact O-CD1 3.27Å; V463-F465 PolarHBondContact O-N 3.37Å; V463-F465 VanDerWaalsContact O-N 3.16Å
466F98.9Very high96.4Very high1 Ų138 Ų380%0.00422%0.218CC..EExtended strand (participates in β ladder)trans-78.9145.2174.9-71.4-71.2000111.5C414 F415 F417 A439 I442 M446 V454 G455 I487C414-F466 WeakPolarHBondContact CA-O 3.36Å; F415-F466 HydrophobicContact CD1-CB 4.09Å; F415-F466 HydrophobicContact CD2-CB 4.38Å; F415-F466 HydrophobicContact CD2-CD2 4.48Å; F415-F466 HydrophobicContact CE1-CB 3.59Å; F415-F466 HydrophobicContact CE2-CB 3.92Å; F415-F466 AromaticContact CE2-CD2 3.84Å; F415-F466 HydrophobicContact CE2-CD2 3.84Å; F415-F466 HydrophobicContact CE2-CG 4.21Å; F415-F466 HydrophobicContact CG-CB 4.47Å; F415-F466 HydrophobicContact CZ-CB 3.5Å; F415-F466 HydrophobicContact CZ-CD2 4.11Å; F415-F466 HydrophobicContact CZ-CG 4.01Å; F415-F466 PolarHBondContact N-O 3.1Å; F415-F466 PolarHBondContact O-N 3.33Å; F417-F466 HydrophobicContact CB-CE2 4.34Å; A439-F466 HydrophobicContact CB-CD1 4.45Å; A439-F466 HydrophobicContact CB-CD2 4.2Å; A439-F466 HydrophobicContact CB-CE1 4.01Å; A439-F466 HydrophobicContact CB-CE2 3.73Å; A439-F466 HydrophobicContact CB-CZ 3.63Å; I442-F466 HydrophobicContact CB-CZ 3.89Å; I442-F466 HydrophobicContact CD1-CE2 4.32Å; I442-F466 HydrophobicContact CD1-CZ 4.44Å; I442-F466 HydrophobicContact CG2-CE2 4.46Å; I442-F466 HydrophobicContact CG2-CZ 3.75Å; M446-F466 HydrophobicContact CE-CE1 4.38Å; V454-F466 HydrophobicContact CG1-CD1 3.69Å; V454-F466 HydrophobicContact CG1-CE1 3.92Å; G455-F466 WeakPolarHBondContact O-CA 3.3Å; F466-I487 HydrophobicContact CE1-CD1 4.28Å; F466-I487 HydrophobicContact CE2-CD1 4.16Å; F466-I487 HydrophobicContact CZ-CD1 4.01Å
467R98.5Very high96.3Very high18 Ų1839.1 Ų39.17%0.06823%0.227CC..EExtended strand (participates in β ladder)trans-127.2104.9167.7-179.5-154.571.7-172.4-6.2109.2N92 T249 V250 V413 V454 G455 T469N92-R467 PolarHBondContact O-NH2 3.44Å; T249-R467 WeakPolarHBondContact O-CD 3.49Å; T249-R467 PolarHBondContact O-NH1 3.12Å; V250-R467 VanDerWaalsContact O-CD 3.28Å; V250-R467 WeakPolarHBondContact O-CD 3.18Å; V250-R467 WeakPolarHBondContact O-CG 3.17Å; V413-R467 WeakPolarHBondContact O-CA 3.41Å; V454-R467 WeakPolarHBondContact CG2-O 3.46Å; G455-R467 PolarHBondContact O-N 3.46Å; R467-T469 HydrophobicContact CG-CG2 4.31Å
468I98.1Very high96.3Very high0 Ų045.8 Ų45.80%026%0.255CS..EExtended strand (participates in β ladder)trans-83.6132.1167.7-172.3-177.1000109.1F91 N412 V413 F415 V454 I470 M480 F483F91-I468 HydrophobicContact CB-CD1 4.48Å; F91-I468 HydrophobicContact CB-CG1 3.75Å; F91-I468 HydrophobicContact CD1-CD1 4.12Å; F91-I468 HydrophobicContact CD1-CG1 4.06Å; F91-I468 HydrophobicContact CD2-CD1 4.39Å; F91-I468 HydrophobicContact CE1-CD1 4.48Å; F91-I468 HydrophobicContact CG-CD1 4.08Å; F91-I468 HydrophobicContact CG-CG1 3.87Å; N412-I468 WeakPolarHBondContact CA-O 3.5Å; V413-I468 HydrophobicContact CB-CG2 3.57Å; V413-I468 HydrophobicContact CG2-CG2 4.19Å; V413-I468 PolarHBondContact N-O 3.46Å; V413-I468 PolarHBondContact O-N 3.34Å; V413-I468 VanDerWaalsContact O-N 3.12Å; F415-I468 HydrophobicContact CE1-CG2 4.23Å; V454-I468 HydrophobicContact CG2-CB 4.13Å; I468-I470 HydrophobicContact CD1-CD1 4.11Å; I468-I470 HydrophobicContact CD1-CG1 3.82Å; I468-I470 HydrophobicContact CG1-CG1 3.92Å; I468-M480 HydrophobicContact CD1-CE 4.26Å; I468-M480 HydrophobicContact CD1-SD 4.43Å; I468-F483 HydrophobicContact CB-CE1 4.36Å; I468-F483 HydrophobicContact CB-CE2 4.35Å; I468-F483 HydrophobicContact CB-CZ 3.87Å; I468-F483 HydrophobicContact CD1-CD1 3.89Å; I468-F483 HydrophobicContact CD1-CD2 4Å; I468-F483 HydrophobicContact CD1-CE1 3.82Å; I468-F483 HydrophobicContact CD1-CE2 3.93Å; I468-F483 HydrophobicContact CD1-CG 3.98Å; I468-F483 HydrophobicContact CD1-CZ 3.83Å; I468-F483 HydrophobicContact CG1-CE2 4.22Å; I468-F483 HydrophobicContact CG1-CZ 4.14Å; I468-F483 HydrophobicContact CG2-CE1 4.48Å; I468-F483 HydrophobicContact CG2-CZ 4.41Å
469T96.2Very high96.3Very high1 Ų142.5 Ų42.51%0.00623%0.233CC..EExtended strand (participates in β ladder)trans-116.4112.2173.646.60000109.5F91 Q93 Q94 R467F91-T469 PolarHBondContact O-OG1 2.82Å; Q93-T469 PolarHBondContact O-OG1 3Å; Q94-T469 HydrophobicContact CG-CG2 4.18Å; R467-T469 HydrophobicContact CG-CG2 4.31Å
470I96.4Very high96.5Very high1 Ų140.4 Ų40.41%0.00522%0.222CC..  trans-102.5112.9-172.2-55.3161.1000109.1A385 H388 A389 V392 V411 I468 M480A385-I470 WeakPolarHBondContact CB-O 3.49Å; H388-I470 HydrophobicContact CB-CD1 4.43Å; H388-I470 HydrophobicContact CB-CG2 3.67Å; A389-I470 HydrophobicContact CB-CD1 4.12Å; V392-I470 HydrophobicContact CG1-CD1 3.87Å; V411-I470 VanDerWaalsContact CB-O 3.28Å; V411-I470 WeakPolarHBondContact CB-O 3.49Å; V411-I470 WeakPolarHBondContact CG2-O 3.24Å; V411-I470 PolarHBondContact O-N 3.41Å; V411-I470 VanDerWaalsContact O-N 3.13Å; I468-I470 HydrophobicContact CD1-CD1 4.11Å; I468-I470 HydrophobicContact CD1-CG1 3.82Å; I468-I470 HydrophobicContact CG1-CG1 3.92Å; I470-M480 HydrophobicContact CD1-SD 3.81Å; I470-M480 HydrophobicContact CG1-SD 4.17Å; I470-M480 HydrophobicContact CG2-SD 4.47Å
471L96Very high96.8Very high5 Ų538.7 Ų38.73%0.02620%0.196CC..  trans-148.6-25.6-176.769.996.7000114.6Q94 A96 W277 M307 V309Q94-L471 VanDerWaalsContact C-CD2 3.46Å; A96-L471 HydrophobicContact CB-CD1 4.14Å; A96-L471 HydrophobicContact CB-CG 4.26Å; W277-L471 HydrophobicContact CH2-CB 4.02Å; W277-L471 HydrophobicContact CH2-CD2 3.58Å; W277-L471 HydrophobicContact CH2-CG 4.41Å; W277-L471 HydrophobicContact CZ3-CD2 3.96Å; M307-L471 HydrophobicContact SD-CB 3.74Å; V309-L471 HydrophobicContact CG2-CD1 3.61Å
472S95.2Very high97.2Very high9 Ų932.6 Ų32.66%0.06316%0.161CC..  trans-64.5128.4-176.5170.40000110.1G97 L474 V475G97-S472 WeakPolarHBondContact CA-OG 3.34Å; S472-L474 PolarHBondContact O-N 3.39Å; S472-L474 VanDerWaalsContact O-N 3.16Å; S472-L474 PolarHBondContact OG-N 3.29Å; S472-V475 PolarHBondContact O-N 3.11Å
473P92.6Very high97.4Very high36 Ų3629.3 Ų29.323%0.23415%0.148CC..THydrogen-bonded Turntrans-68-14179.328.9-35.5000112.9R381 V475R381-P473 HydrophobicContact CG-CB 4.29Å; P473-V475 VanDerWaalsContact C-N 3.34Å
474L94.9Very high97.4Very high63 Ų6328 Ų2833%0.3314%0.14SC..THydrogen-bonded Turntrans-80.2-14178.9-56.3179.1000113.2T38 P88 V98 S472T38-L474 HydrophobicContact CG2-CD1 3.72Å; P88-L474 HydrophobicContact CG-CB 4.1Å; V98-L474 HydrophobicContact CG1-CD1 4.05Å; S472-L474 PolarHBondContact O-N 3.39Å; S472-L474 VanDerWaalsContact O-N 3.16Å; S472-L474 PolarHBondContact OG-N 3.29Å
475V96.4Very high97.4Very high2 Ų230 Ų301%0.01215%0.151CC..  trans-66.1136.7179.6173.10000110.2F91 K384 H388 S472 P473 D479 M480F91-V475 HydrophobicContact CE1-CG2 3.93Å; K384-V475 PolarHBondContact NZ-O 3.33Å; H388-V475 PolarHBondContact NE2-O 3.16Å; S472-V475 PolarHBondContact O-N 3.11Å; P473-V475 VanDerWaalsContact C-N 3.34Å; V475-D479 HydrophobicContact CG1-CB 4.33Å; V475-M480 HydrophobicContact CG1-CE 3.51Å; V475-M480 HydrophobicContact CG1-CG 4.3Å; V475-M480 HydrophobicContact CG1-SD 4.16Å
476S97.1Very high97.4Very high45 Ų4530.4 Ų30.432%0.31515%0.153SC..  trans-116.2171.7173.376.60000111.6K478 D479 M480S476-K478 VanDerWaalsContact C-N 3.26Å; S476-K478 PolarHBondContact O-N 2.88Å; S476-K478 PolarHBondContact OG-N 3.03Å; S476-D479 WeakPolarHBondContact CB-OD2 3.16Å; S476-D479 PolarHBondContact N-OD2 3.1Å; S476-D479 PolarHBondContact O-N 3.37Å; S476-D479 PolarHBondContact OG-N 3.13Å; S476-D479 PolarHBondContact OG-OD2 3.27Å; S476-M480 PolarHBondContact O-N 3.29Å
477Q97.7Very high97.4Very high107 Ų10730.3 Ų30.350%0.515%0.153SC..Hα-helixtrans-58-40.2172.7-172.8-177.1-29.900111.8Y391 D479 M480 D481Y391-Q477 HydrophobicContact CD1-CG 4.31Å; Y391-Q477 HydrophobicContact CD2-CG 4.44Å; Y391-Q477 HydrophobicContact CE1-CG 3.65Å; Y391-Q477 HydrophobicContact CE2-CG 3.78Å; Y391-Q477 WeakPolarHBondContact OH-CG 3.49Å; Y391-Q477 PolarHBondContact OH-NE2 3.38Å; Q477-D479 PolarHBondContact O-N 3.06Å; Q477-M480 WeakPolarHBondContact O-CB 3.4Å; Q477-M480 PolarHBondContact O-N 2.95Å; Q477-D481 PolarHBondContact O-N 3.44Å
478K98.3Very high97.4Very high171 Ų17131.9 Ų31.974%0.74316%0.161SC*.Hα-helixtrans-61.5-31.9179.1-64.2-178.1179.3179.80112.5S476 F482S476-K478 VanDerWaalsContact C-N 3.26Å; S476-K478 PolarHBondContact O-N 2.88Å; S476-K478 PolarHBondContact OG-N 3.03Å; K478-F482 VanDerWaalsContact O-CB 3.31Å; K478-F482 WeakPolarHBondContact O-CB 3.34Å; K478-F482 PolarHBondContact O-N 3.48Å
479D98.3Very high97.4Very high9 Ų937.9 Ų37.95%0.04818%0.183CC..Hα-helixtrans-73.2-31.5176.7-56.6-61.3000111.8R89 V475 S476 Q477 F483R89-D479 IonicContact NE-OD1 2.73Å; V475-D479 HydrophobicContact CG1-CB 4.33Å; S476-D479 WeakPolarHBondContact CB-OD2 3.16Å; S476-D479 PolarHBondContact N-OD2 3.1Å; S476-D479 PolarHBondContact O-N 3.37Å; S476-D479 PolarHBondContact OG-N 3.13Å; S476-D479 PolarHBondContact OG-OD2 3.27Å; Q477-D479 PolarHBondContact O-N 3.06Å; D479-F483 WeakPolarHBondContact O-CB 3.29Å; D479-F483 PolarHBondContact O-N 3.31Å
480M98.4Very high97.5Very high0 Ų038 Ų380%018%0.184CC..Hα-helixtrans-71.4-39.2172.9-60-66.18400111.8F91 H388 Y391 V392 I468 I470 V475 S476 Q477 F483 L484F91-M480 HydrophobicContact CD1-CE 4.45Å; F91-M480 HydrophobicContact CE1-CE 3.44Å; F91-M480 VanDerWaalsContact CE1-CE 3.44Å; F91-M480 HydrophobicContact CE2-CE 4.28Å; F91-M480 HydrophobicContact CZ-CE 3.32Å; H388-M480 HydrophobicContact CB-CG 4.39Å; H388-M480 HydrophobicContact CB-SD 4.25Å; Y391-M480 HydrophobicContact CD1-CB 3.9Å; Y391-M480 HydrophobicContact CD1-CG 4.34Å; Y391-M480 HydrophobicContact CE1-CB 3.95Å; V392-M480 HydrophobicContact CB-SD 4.44Å; I468-M480 HydrophobicContact CD1-CE 4.26Å; I468-M480 HydrophobicContact CD1-SD 4.43Å; I470-M480 HydrophobicContact CD1-SD 3.81Å; I470-M480 HydrophobicContact CG1-SD 4.17Å; I470-M480 HydrophobicContact CG2-SD 4.47Å; V475-M480 HydrophobicContact CG1-CE 3.51Å; V475-M480 HydrophobicContact CG1-CG 4.3Å; V475-M480 HydrophobicContact CG1-SD 4.16Å; S476-M480 PolarHBondContact O-N 3.29Å; Q477-M480 WeakPolarHBondContact O-CB 3.4Å; Q477-M480 PolarHBondContact O-N 2.95Å; M480-F483 WeakPolarHBondContact O-CB 3.36Å; M480-F483 PolarHBondContact O-N 3.22Å; M480-L484 PolarHBondContact O-N 3Å
481D98.6Very high97.6Very high38 Ų3837.9 Ų37.920%0.20318%0.184CC..Hα-helixtrans-64.2-48.8173.9-62.1-33.3000110.3Y391 Q477 F483 L484 D485Y391-D481 VanDerWaalsContact CE1-OD1 3.3Å; Y391-D481 WeakPolarHBondContact CE1-OD1 3.29Å; Y391-D481 PolarHBondContact OH-OD1 3.16Å; Y391-D481 PolarHBondContact OH-OD2 3.06Å; Q477-D481 PolarHBondContact O-N 3.44Å; D481-F483 VanDerWaalsContact C-N 3.28Å; D481-F483 PolarHBondContact O-N 3.44Å; D481-L484 PolarHBondContact O-N 2.67Å; D481-L484 VanDerWaalsContact O-N 3.12Å; D481-D485 PolarHBondContact O-N 3.39Å
482F98.8Very high97.7Very high45 Ų4542.8 Ų42.820%0.19721%0.21CC..Hα-helixtrans-55.7-42.3174.9177.5-88.6000112.3R89 M452 K478 L484 D485 E486R89-F482 HydrophobicContact CG-CD1 4.27Å; R89-F482 HydrophobicContact CG-CE1 4.5Å; M452-F482 HydrophobicContact CB-CE1 4.41Å; K478-F482 VanDerWaalsContact O-CB 3.31Å; K478-F482 WeakPolarHBondContact O-CB 3.34Å; K478-F482 PolarHBondContact O-N 3.48Å; F482-L484 VanDerWaalsContact C-N 3.29Å; F482-L484 PolarHBondContact O-N 3.03Å; F482-D485 PolarHBondContact O-N 3.29Å; F482-E486 HydrophobicContact CD1-CB 4.35Å; F482-E486 HydrophobicContact CE1-CB 3.95Å; F482-E486 HydrophobicContact CE1-CG 4.1Å; F482-E486 HydrophobicContact CZ-CB 4.15Å; F482-E486 HydrophobicContact CZ-CG 4.17Å; F482-E486 WeakPolarHBondContact O-CB 3.38Å; F482-E486 PolarHBondContact O-N 3.26Å
483F98.7Very high97.8Very high0 Ų047.5 Ų47.50%023%0.234CC..Hα-helixtrans-56-44.8178.2170.5-95.2000112F91 V392 M396 F415 M452 V454 I468 D479 M480 D481 I487F91-F483 AromaticContact CD2-CD2 3.77Å; F91-F483 HydrophobicContact CD2-CD2 3.77Å; F91-F483 HydrophobicContact CD2-CE2 4.25Å; F91-F483 HydrophobicContact CE2-CB 4.28Å; F91-F483 AromaticContact CE2-CD2 3.93Å; F91-F483 HydrophobicContact CE2-CD2 3.93Å; F91-F483 HydrophobicContact CE2-CG 4.44Å; V392-F483 HydrophobicContact CG2-CD1 4.37Å; M396-F483 HydrophobicContact CE-CE1 3.93Å; F415-F483 AromaticContact CE1-CE1 3.95Å; F415-F483 HydrophobicContact CE1-CE1 3.95Å; F415-F483 AromaticContact CE1-CZ 3.88Å; F415-F483 HydrophobicContact CE1-CZ 3.88Å; F415-F483 AromaticContact CZ-CE1 3.68Å; F415-F483 HydrophobicContact CZ-CE1 3.68Å; F415-F483 AromaticContact CZ-CZ 3.6Å; F415-F483 HydrophobicContact CZ-CZ 3.6Å; M452-F483 HydrophobicContact CE-CD2 4.45Å; M452-F483 HydrophobicContact SD-CD2 3.71Å; M452-F483 HydrophobicContact SD-CE2 4.31Å; M452-F483 HydrophobicContact SD-CG 4.5Å; V454-F483 HydrophobicContact CB-CE2 3.87Å; V454-F483 HydrophobicContact CG1-CE2 3.97Å; V454-F483 HydrophobicContact CG2-CE2 3.93Å; V454-F483 HydrophobicContact CG2-CZ 4.16Å; I468-F483 HydrophobicContact CB-CE1 4.36Å; I468-F483 HydrophobicContact CB-CE2 4.35Å; I468-F483 HydrophobicContact CB-CZ 3.87Å; I468-F483 HydrophobicContact CD1-CD1 3.89Å; I468-F483 HydrophobicContact CD1-CD2 4Å; I468-F483 HydrophobicContact CD1-CE1 3.82Å; I468-F483 HydrophobicContact CD1-CE2 3.93Å; I468-F483 HydrophobicContact CD1-CG 3.98Å; I468-F483 HydrophobicContact CD1-CZ 3.83Å; I468-F483 HydrophobicContact CG1-CE2 4.22Å; I468-F483 HydrophobicContact CG1-CZ 4.14Å; I468-F483 HydrophobicContact CG2-CE1 4.48Å; I468-F483 HydrophobicContact CG2-CZ 4.41Å; D479-F483 WeakPolarHBondContact O-CB 3.29Å; D479-F483 PolarHBondContact O-N 3.31Å; M480-F483 WeakPolarHBondContact O-CB 3.36Å; M480-F483 PolarHBondContact O-N 3.22Å; D481-F483 VanDerWaalsContact C-N 3.28Å; D481-F483 PolarHBondContact O-N 3.44Å; F483-I487 HydrophobicContact CE1-CG1 4.49Å; F483-I487 HydrophobicContact CE2-CG1 4.45Å; F483-I487 HydrophobicContact CZ-CG1 4.28Å; F483-I487 WeakPolarHBondContact O-CG1 3.49Å; F483-I487 PolarHBondContact O-N 2.8Å; F483-I487 VanDerWaalsContact O-N 3.16Å
484L98.8Very high98Very high0 Ų048.8 Ų48.80%024%0.239CC..Hα-helixtrans-70.6-47.3179-62.9176.1000111.4V392 Q395 M396 R399 F402 M480 D481 F482 E486 I487 E488V392-L484 HydrophobicContact CG2-CD1 4.08Å; V392-L484 HydrophobicContact CG2-CD2 3.92Å; V392-L484 HydrophobicContact CG2-CG 4.07Å; Q395-L484 HydrophobicContact CB-CD1 3.49Å; Q395-L484 VanDerWaalsContact CB-CD1 3.49Å; M396-L484 HydrophobicContact CE-CD2 3.58Å; M396-L484 HydrophobicContact CG-CD1 4.45Å; M396-L484 HydrophobicContact CG-CD2 3.54Å; M396-L484 HydrophobicContact SD-CD2 4.43Å; R399-L484 VanDerWaalsContact CZ-CB 3.48Å; R399-L484 VanDerWaalsContact NH1-CB 3.34Å; F402-L484 HydrophobicContact CD1-CD2 4.16Å; F402-L484 HydrophobicContact CE1-CD2 3.65Å; F402-L484 HydrophobicContact CE2-CB 4.45Å; F402-L484 HydrophobicContact CE2-CD2 4.28Å; F402-L484 HydrophobicContact CZ-CB 4.09Å; F402-L484 HydrophobicContact CZ-CD2 3.71Å; M480-L484 PolarHBondContact O-N 3Å; D481-L484 PolarHBondContact O-N 2.67Å; D481-L484 VanDerWaalsContact O-N 3.12Å; F482-L484 VanDerWaalsContact C-N 3.29Å; F482-L484 PolarHBondContact O-N 3.03Å; L484-E486 PolarHBondContact O-N 2.6Å; L484-I487 PolarHBondContact O-N 2.87Å; L484-E488 PolarHBondContact O-N 3.29Å
485D98.8Very high98.1Very high78 Ų7848.1 Ų48.142%0.41723%0.234SC..Hα-helixtrans-57-39.6178.7-62.5-12.4000111.1R399 D481 F482 E488 R489R399-D485 IonicContact CZ-OD1 3.91Å; R399-D485 IonicContact NH1-OD1 2.64Å; R399-D485 PolarHBondContact NH1-OD1 3.09Å; R399-D485 IonicContact NH2-OD1 2.91Å; R399-D485 PolarHBondContact NH2-OD1 2.78Å; D481-D485 PolarHBondContact O-N 3.39Å; F482-D485 PolarHBondContact O-N 3.29Å; D485-E488 PolarHBondContact O-N 3.1Å; D485-R489 VanDerWaalsContact O-CB 3.29Å; D485-R489 WeakPolarHBondContact O-CB 3.25Å; D485-R489 PolarHBondContact O-N 2.89Å
486E98.8Very high98.2Very high9 Ų950.5 Ų50.54%0.04225%0.246CC..Hα-helixtrans-74.7-37.7-178.1-175.766.5174.300112.3T451 M452 F482 L484 E488 R489 L490T451-E486 WeakPolarHBondContact CB-OE1 3.4Å; T451-E486 WeakPolarHBondContact CG2-OE1 3.46Å; T451-E486 PolarHBondContact OG1-OE1 3.3Å; M452-E486 HydrophobicContact CE-CB 3.73Å; M452-E486 HydrophobicContact CE-CG 3.5Å; M452-E486 HydrophobicContact CG-CG 4.07Å; M452-E486 HydrophobicContact SD-CB 3.91Å; M452-E486 HydrophobicContact SD-CG 3.81Å; F482-E486 HydrophobicContact CD1-CB 4.35Å; F482-E486 HydrophobicContact CE1-CB 3.95Å; F482-E486 HydrophobicContact CE1-CG 4.1Å; F482-E486 HydrophobicContact CZ-CB 4.15Å; F482-E486 HydrophobicContact CZ-CG 4.17Å; F482-E486 WeakPolarHBondContact O-CB 3.38Å; F482-E486 PolarHBondContact O-N 3.26Å; L484-E486 PolarHBondContact O-N 2.6Å; E486-E488 VanDerWaalsContact C-N 3.33Å; E486-R489 IonicContact OE1-CZ 3.52Å; E486-R489 IonicContact OE1-NE 3.33Å; E486-R489 IonicContact OE1-NH2 2.81Å; E486-R489 PolarHBondContact OE1-NH2 3.24Å; E486-R489 IonicContact OE2-CZ 2.8Å; E486-R489 VanDerWaalsContact OE2-CZ 3.3Å; E486-R489 IonicContact OE2-NE 2.63Å; E486-R489 PolarHBondContact OE2-NE 3.26Å; E486-R489 IonicContact OE2-NH2 2.69Å; E486-R489 PolarHBondContact OE2-NH2 2.73Å; E486-L490 HydrophobicContact CG-CD1 3.92Å; E486-L490 HydrophobicContact CG-CG 4.29Å; E486-L490 VanDerWaalsContact O-CB 3.25Å; E486-L490 WeakPolarHBondContact O-CB 3.2Å; E486-L490 WeakPolarHBondContact O-CG 3.49Å; E486-L490 PolarHBondContact O-N 3.07Å
487I98.8Very high98.3Very high0 Ų050.8 Ų50.80%024%0.242CC..Hα-helixtrans-60.7-45.6171.1-70.3-65.5000110.1F402 F417 I442 M446 M452 V454 F466 F483 L484 L490 G491F402-I487 HydrophobicContact CE1-CB 4.12Å; F402-I487 HydrophobicContact CE1-CG2 3.76Å; F402-I487 HydrophobicContact CZ-CB 4.07Å; F402-I487 HydrophobicContact CZ-CG2 3.93Å; F417-I487 HydrophobicContact CB-CG2 3.77Å; F417-I487 HydrophobicContact CD1-CG2 4.34Å; F417-I487 HydrophobicContact CD2-CG2 3.6Å; F417-I487 HydrophobicContact CE2-CG2 4.29Å; F417-I487 HydrophobicContact CG-CG2 3.62Å; I442-I487 HydrophobicContact CG2-CD1 3.77Å; M446-I487 HydrophobicContact CE-CD1 3.88Å; M452-I487 HydrophobicContact CE-CD1 3.48Å; M452-I487 VanDerWaalsContact CE-CD1 3.48Å; M452-I487 HydrophobicContact CE-CG1 3.65Å; V454-I487 HydrophobicContact CG1-CD1 4.33Å; F466-I487 HydrophobicContact CE1-CD1 4.28Å; F466-I487 HydrophobicContact CE2-CD1 4.16Å; F466-I487 HydrophobicContact CZ-CD1 4.01Å; F483-I487 HydrophobicContact CE1-CG1 4.49Å; F483-I487 HydrophobicContact CE2-CG1 4.45Å; F483-I487 HydrophobicContact CZ-CG1 4.28Å; F483-I487 WeakPolarHBondContact O-CG1 3.49Å; F483-I487 PolarHBondContact O-N 2.8Å; F483-I487 VanDerWaalsContact O-N 3.16Å; L484-I487 PolarHBondContact O-N 2.87Å; I487-L490 PolarHBondContact O-N 3.11Å; I487-G491 PolarHBondContact O-N 3.03Å
488E98.6Very high98.3Very high51 Ų5147.5 Ų47.524%0.23823%0.227CC..Hα-helixtrans-60-52.8177.2-79.4174.7146.100111.3R399 F402 F417 L484 D485 E486 L490 G491 N492R399-E488 IonicContact CZ-OE2 2.67Å; R399-E488 IonicContact NH1-OE2 3.57Å; R399-E488 PolarHBondContact NH1-OE2 3.49Å; F402-E488 HydrophobicContact CE2-CG 3.59Å; F402-E488 HydrophobicContact CZ-CG 3.94Å; F417-E488 HydrophobicContact CE2-CB 4.4Å; F417-E488 HydrophobicContact CE2-CG 3.69Å; F417-E488 HydrophobicContact CZ-CG 4.22Å; L484-E488 PolarHBondContact O-N 3.29Å; D485-E488 PolarHBondContact O-N 3.1Å; E486-E488 VanDerWaalsContact C-N 3.33Å; E488-L490 VanDerWaalsContact C-N 3.31Å; E488-L490 PolarHBondContact O-N 3.41Å; E488-G491 CarbonylContact O-C 3.58Å; E488-G491 PolarHBondContact O-N 3.28Å; E488-G491 VanDerWaalsContact O-N 3.1Å; E488-N492 VanDerWaalsContact O-CB 3.31Å; E488-N492 WeakPolarHBondContact O-CB 3.13Å; E488-N492 PolarHBondContact O-N 3.43Å
489R98.7Very high98.3Very high125 Ų12539.8 Ų39.847%0.47220%0.195SC..Hα-helixtrans-58.7-42.4-179-170.8-170.868.383.4-2.7112.2D485 E486 G491D485-R489 VanDerWaalsContact O-CB 3.29Å; D485-R489 WeakPolarHBondContact O-CB 3.25Å; D485-R489 PolarHBondContact O-N 2.89Å; E486-R489 IonicContact OE1-CZ 3.52Å; E486-R489 IonicContact OE1-NE 3.33Å; E486-R489 IonicContact OE1-NH2 2.81Å; E486-R489 PolarHBondContact OE1-NH2 3.24Å; E486-R489 IonicContact OE2-CZ 2.8Å; E486-R489 VanDerWaalsContact OE2-CZ 3.3Å; E486-R489 IonicContact OE2-NE 2.63Å; E486-R489 PolarHBondContact OE2-NE 3.26Å; E486-R489 IonicContact OE2-NH2 2.69Å; E486-R489 PolarHBondContact OE2-NH2 2.73Å; R489-G491 VanDerWaalsContact C-N 3.31Å
490L98.7Very high98.3Very high3 Ų341.9 Ų41.92%0.01621%0.205CC..Hα-helixtrans-76.6-16.5-179.7-68179.8000113.6I442 R445 M446 E486 I487 E488I442-L490 HydrophobicContact CG2-CB 4.02Å; I442-L490 HydrophobicContact CG2-CD1 4.4Å; R445-L490 HydrophobicContact CB-CD1 4.48Å; R445-L490 HydrophobicContact CB-CD2 3.89Å; R445-L490 WeakPolarHBondContact CD-O 3.15Å; R445-L490 PolarHBondContact NH1-O 2.81Å; M446-L490 HydrophobicContact CB-CD1 3.57Å; E486-L490 HydrophobicContact CG-CD1 3.92Å; E486-L490 HydrophobicContact CG-CG 4.29Å; E486-L490 VanDerWaalsContact O-CB 3.25Å; E486-L490 WeakPolarHBondContact O-CB 3.2Å; E486-L490 WeakPolarHBondContact O-CG 3.49Å; E486-L490 PolarHBondContact O-N 3.07Å; I487-L490 PolarHBondContact O-N 3.11Å; E488-L490 VanDerWaalsContact C-N 3.31Å; E488-L490 PolarHBondContact O-N 3.41Å
491G98.3Very high98.3Very high0 Ų044.9 Ų44.90%022%0.219CC..Hα-helixtrans-110.2-4.9-179.200000115.2P419 I487 E488 R489 D493 L494P419-G491 WeakPolarHBondContact CB-O 3.27Å; I487-G491 PolarHBondContact O-N 3.03Å; E488-G491 CarbonylContact O-C 3.58Å; E488-G491 PolarHBondContact O-N 3.28Å; E488-G491 VanDerWaalsContact O-N 3.1Å; R489-G491 VanDerWaalsContact C-N 3.31Å; G491-D493 VanDerWaalsContact C-N 3.33Å; G491-D493 PolarHBondContact O-N 3.33Å; G491-L494 WeakPolarHBondContact O-CB 3.33Å; G491-L494 PolarHBondContact O-N 3.33Å
492N96.9Very high98.3Very high107 Ų10745.4 Ų45.457%0.57222%0.221SC*.THydrogen-bonded Turntrans-65.8-30.8-168.9-172.257.9000114.3P420 E488P420-N492 WeakPolarHBondContact CD-O 3.15Å; P420-N492 WeakPolarHBondContact CG-O 3.26Å; E488-N492 VanDerWaalsContact O-CB 3.31Å; E488-N492 WeakPolarHBondContact O-CB 3.13Å; E488-N492 PolarHBondContact O-N 3.43Å
493D97.3Very high98.2Very high109 Ų10945.4 Ų45.458%0.58322%0.222SC*.THydrogen-bonded Turntrans-96.48.9-18064.9-47.2000113.6R445 G491R445-D493 IonicContact CZ-OD1 3.54Å; R445-D493 IonicContact CZ-OD2 2.7Å; R445-D493 IonicContact NH1-OD1 3.44Å; R445-D493 PolarHBondContact NH1-OD1 2.88Å; R445-D493 IonicContact NH1-OD2 2.77Å; R445-D493 PolarHBondContact NH1-OD2 2.84Å; R445-D493 IonicContact NH2-OD1 2.86Å; R445-D493 IonicContact NH2-OD2 3.78Å; R445-D493 PolarHBondContact NH2-OD2 3.03Å; G491-D493 VanDerWaalsContact C-N 3.33Å; G491-D493 PolarHBondContact O-N 3.33Å
494L96.6Very high98.2Very high63 Ų6349.5 Ų49.533%0.3324%0.243SC..  trans-82.70179.6-62.1-176.7000114P419 S421 V438 V441 I442 G491P419-L494 HydrophobicContact CB-CB 3.78Å; P419-L494 WeakPolarHBondContact CB-O 3.28Å; P419-L494 HydrophobicContact CG-CB 4.09Å; S421-L494 WeakPolarHBondContact CB-O 3.5Å; S421-L494 PolarHBondContact OG-O 3.02Å; S421-L494 PolarHBondContact OG-OXT 3.18Å; S421-L494 VanDerWaalsContact OG-OXT 3.08Å; V438-L494 HydrophobicContact CG1-CD1 4.01Å; V441-L494 HydrophobicContact CB-CD1 4.32Å; V441-L494 HydrophobicContact CB-CD2 4.43Å; V441-L494 HydrophobicContact CG1-CD1 4.18Å; V441-L494 HydrophobicContact CG1-CD2 3.63Å; I442-L494 HydrophobicContact CD1-CD1 4.07Å; I442-L494 HydrophobicContact CG1-CD1 3.61Å; G491-L494 WeakPolarHBondContact O-CB 3.33Å; G491-L494 PolarHBondContact O-N 3.33Å

Retrieved 494 of 494 residues in 143.8 ms (Link to these results)

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