A0A096N757_PAPAN Loading...

L-lactate dehydrogenase

Possible role in sperm motility.

AlphaFold DB (A0A2K5LWI1), UniProt , Accession A0A096N757, Species PAPAN (Papio anubis, Olive baboon), Gene LDHC, Length 332 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
1M80.3Confident93.1Very high245 Ų245129.5 Ų129.5100%1.20765%0.651SS**  0135.70-67.2-179.6-167.200107.1
2S82.9Confident93.3Very high63 Ų63130.8 Ų130.844%0.44166%0.66SS.*  trans-61.4143.6175.254.80000110.5E6 Q7S2-E6 WeakPolarHBondContact CA-OE2 3.48Å; S2-Q7 WeakPolarHBondContact OG-CG 3.39Å; S2-Q7 PolarHBondContact OG-NE2 3.42Å
3T94.9Very high93.4Very high72 Ų72131.5 Ų131.544%0.44267%0.665SS.*  trans-71.5160.917668.80000111.5K5 E6 Q7T3-K5 PolarHBondContact O-N 3.13Å; T3-E6 PolarHBondContact N-OE2 2.96Å; T3-E6 PolarHBondContact O-N 3.1Å; T3-E6 VanDerWaalsContact O-N 3.14Å; T3-E6 WeakPolarHBondContact OG1-CG 2.77Å; T3-E6 PolarHBondContact OG1-N 3.1Å; T3-E6 PolarHBondContact OG1-OE2 2.64Å; T3-Q7 PolarHBondContact O-N 3.37Å; T3-Q7 VanDerWaalsContact O-N 3.12Å
4V96.8Very high93.2Very high116 Ų116134.4 Ų134.470%0.70368%0.675SS**Hα-helixtrans-55.5-38.2174.2174.80000111.4Q7 L8V4-Q7 PolarHBondContact O-N 3.23Å; V4-L8 WeakPolarHBondContact O-CB 3.32Å; V4-L8 PolarHBondContact O-N 3.4Å
5K94.8Very high92.7Very high143 Ų143132.6 Ų132.662%0.62267%0.668SS**Hα-helixtrans-61.3-46177.6-178.9178.7177.9177.70111.6T3 Q7 L8 I9T3-K5 PolarHBondContact O-N 3.13Å; K5-Q7 VanDerWaalsContact C-N 3.29Å; K5-Q7 PolarHBondContact O-N 3.1Å; K5-L8 PolarHBondContact O-N 3.34Å; K5-I9 PolarHBondContact O-N 2.94Å
6E94.5Very high92.2Very high125 Ų125131.5 Ų131.558%0.58467%0.665SS**Hα-helixtrans-67.9-29.2-179.6-70.2162.4173.400112.5S2 T3S2-E6 WeakPolarHBondContact CA-OE2 3.48Å; T3-E6 PolarHBondContact N-OE2 2.96Å; T3-E6 PolarHBondContact O-N 3.1Å; T3-E6 VanDerWaalsContact O-N 3.14Å; T3-E6 WeakPolarHBondContact OG1-CG 2.77Å; T3-E6 PolarHBondContact OG1-N 3.1Å; T3-E6 PolarHBondContact OG1-OE2 2.64Å
7Q97.2Very high91.6Very high141 Ų141134.2 Ų134.266%0.65967%0.671SS**Hα-helixtrans-76.9-31.9174.3-68.5-179.9-8.500112.8S2 T3 V4 K5S2-Q7 WeakPolarHBondContact OG-CG 3.39Å; S2-Q7 PolarHBondContact OG-NE2 3.42Å; T3-Q7 PolarHBondContact O-N 3.37Å; T3-Q7 VanDerWaalsContact O-N 3.12Å; V4-Q7 PolarHBondContact O-N 3.23Å; K5-Q7 VanDerWaalsContact C-N 3.29Å; K5-Q7 PolarHBondContact O-N 3.1Å
8L97Very high91.3Very high136 Ų136132.4 Ų132.471%0.71266%0.664SS**Hα-helixtrans-89-36.7-176.3-178.863.9000113.3V4 K5V4-L8 WeakPolarHBondContact O-CB 3.32Å; V4-L8 PolarHBondContact O-N 3.4Å; K5-L8 PolarHBondContact O-N 3.34Å
9I96.3Very high91.3Very high100 Ų100126.5 Ų126.551%0.51364%0.637SS.*  trans-131.4118.1-168-54178.2000110K5K5-I9 PolarHBondContact O-N 2.94Å
10E96Very high91.4Very high162 Ų162126.1 Ų126.176%0.75763%0.632SS**  trans-81.6123.4168.8-172.9177.717200110.2L12E10-L12 HydrophobicContact CG-CD2 4.16Å; E10-L12 PolarHBondContact O-N 3.36Å
11K93.7Very high91.6Very high121 Ų121121.8 Ų121.853%0.52661%0.614SS.*  trans-85.1107.1178.8-171.3172.4-167.3174.40110.1I13 D15K11-I13 WeakPolarHBondContact CE-O 3.26Å; K11-I13 WeakPolarHBondContact CG-O 3.49Å; K11-D15 IonicContact NZ-OD2 3.38Å; K11-D15 PolarHBondContact NZ-OD2 3.22Å
12L95.4Very high92.4Very high145 Ų145110.7 Ų110.776%0.75956%0.559SS**  trans-82.5-33.3-179.4-58.2-179.3000113.5E10E10-L12 HydrophobicContact CG-CD2 4.16Å; E10-L12 PolarHBondContact O-N 3.36Å
13I94.3Very high93.2Very high141 Ų141107.7 Ų107.772%0.72354%0.538SS*.SBendtrans-144.3152.9-176.5-54.6178.8000108.9K11K11-I13 WeakPolarHBondContact CE-O 3.26Å; K11-I13 WeakPolarHBondContact CG-O 3.49Å
14E90.8Very high93.4Very high171 Ų171104.3 Ų104.380%0.79952%0.517SS*.PPolyproline II helixtrans-65.8145.2170-67.6-162.7164.200112.7D16E14-D16 PolarHBondContact O-N 3.41Å
15D85.4Confident93.5Very high108 Ų10898.8 Ų98.858%0.57848%0.483SS*.PPolyproline II helixtrans-72.6128.8-177.5-47.8-63000109.6K11 K17K11-D15 IonicContact NZ-OD2 3.38Å; K11-D15 PolarHBondContact NZ-OD2 3.22Å; D15-K17 PolarHBondContact O-N 3.49Å
16D84.3Confident93.7Very high115 Ų11592 Ų9262%0.61545%0.454SS*.PPolyproline II helixtrans-68.4116.5167.1-172.3-0.4000108.7E14 N18E14-D16 PolarHBondContact O-N 3.41Å; D16-N18 VanDerWaalsContact C-N 3.32Å; D16-N18 WeakPolarHBondContact OD1-CB 3.22Å; D16-N18 PolarHBondContact OD1-N 3.12Å
17K81.9Confident93.8Very high178 Ų17886.2 Ų86.277%0.77443%0.428SS*.  trans-85.3-9.7-178.1-63.9-178.6-176.8173.10112.4D15D15-K17 PolarHBondContact O-N 3.49Å
18N86.4Confident93.9Very high102 Ų10279.5 Ų79.555%0.54540%0.397SS..  trans-89120.4-176.8-66.1-38.3000110.7D16D16-N18 VanDerWaalsContact C-N 3.32Å; D16-N18 WeakPolarHBondContact OD1-CB 3.22Å; D16-N18 PolarHBondContact OD1-N 3.12Å
19S92.3Very high93.9Very high20 Ų2074.3 Ų74.314%0.1438%0.376CS..  trans-69.3141.5168.5151.70000110.8C21 K22 D46S19-C21 PolarHBondContact OG-N 3.38Å; S19-K22 WeakPolarHBondContact OG-CA 3.43Å; S19-K22 VanDerWaalsContact OG-CB 3.25Å; S19-K22 WeakPolarHBondContact OG-CB 3.49Å; S19-K22 PolarHBondContact OG-N 3.38Å; S19-D46 VanDerWaalsContact OG-CG 3.28Å; S19-D46 PolarHBondContact OG-OD1 2.9Å; S19-D46 PolarHBondContact OG-OD2 3.21Å
20Q92.4Very high93.9Very high118 Ų11871 Ų7155%0.55136%0.364SS*.SBendtrans-84.6-33.4175.2-63.8-62.4-29.600111.4D46 R90Q20-D46 PolarHBondContact N-OD2 2.8Å; Q20-R90 WeakPolarHBondContact O-CG 3.31Å; Q20-R90 PolarHBondContact O-NE 2.93Å
21C95.6Very high94Very high35 Ų3565 Ų6524%0.23634%0.338CS..SBendtrans-131.854.2-173.4-150.50000113.1S19 L44 A45 D46S19-C21 PolarHBondContact OG-N 3.38Å; C21-L44 PolarHBondContact SG-O 3.05Å; C21-A45 WeakPolarHBondContact O-CA 3.35Å; C21-A45 WeakPolarHBondContact O-CB 3.11Å; C21-D46 VanDerWaalsContact CA-OD1 3.27Å; C21-D46 WeakPolarHBondContact CA-OD1 3.46Å; C21-D46 PolarHBondContact N-OD1 3.3Å; C21-D46 PolarHBondContact N-OD2 2.9Å; C21-D46 VanDerWaalsContact O-OD1 3.13Å
22K98.4Very high94.3Very high13 Ų1359.3 Ų59.36%0.05731%0.314CS..EExtended strand (participates in β ladder)trans-71.6134.7178.9-173.7169.1179.4165.20112.7S19 D46 E47 V85 A87 R90S19-K22 WeakPolarHBondContact OG-CA 3.43Å; S19-K22 VanDerWaalsContact OG-CB 3.25Å; S19-K22 WeakPolarHBondContact OG-CB 3.49Å; S19-K22 PolarHBondContact OG-N 3.38Å; K22-D46 PolarHBondContact N-OD1 3Å; K22-E47 WeakPolarHBondContact CA-O 3.41Å; K22-E47 HydrophobicContact CB-CB 4.35Å; K22-E47 HydrophobicContact CD-CG 4.16Å; K22-E47 WeakPolarHBondContact CE-OE1 3.26Å; K22-E47 HydrophobicContact CG-CB 4.17Å; K22-E47 HydrophobicContact CG-CG 4.14Å; K22-E47 IonicContact NZ-OE1 3.65Å; K22-E47 PolarHBondContact NZ-OE1 3.07Å; K22-V85 WeakPolarHBondContact CE-O 3.47Å; K22-V85 PolarHBondContact NZ-O 2.79Å; K22-A87 VanDerWaalsContact CD-O 3.25Å; K22-A87 WeakPolarHBondContact CD-O 3.33Å; K22-A87 WeakPolarHBondContact CE-O 3.33Å; K22-A87 PolarHBondContact NZ-O 3.44Å; K22-R90 PolarHBondContact O-N 2.82Å
23I98.8Very high94.4Very high0 Ų053.5 Ų53.50%028%0.283CS..EExtended strand (participates in β ladder)trans-116.6133.3170.4-58.2-175.2000109.3I25 I39 L44 A45 E47 L48 A49 I91 I93 V260 L264I23-I25 HydrophobicContact CG2-CG1 4.5Å; I23-I39 HydrophobicContact CD1-CD1 4.39Å; I23-I39 HydrophobicContact CD1-CG2 3.64Å; I23-I39 HydrophobicContact CG2-CD1 4.27Å; I23-L44 HydrophobicContact CD1-CB 4.31Å; I23-A45 HydrophobicContact CB-CB 4.26Å; I23-A45 HydrophobicContact CD1-CB 3.78Å; I23-A45 HydrophobicContact CG1-CB 3.77Å; I23-E47 PolarHBondContact N-O 3.27Å; I23-L48 HydrophobicContact CB-CD1 4.27Å; I23-L48 HydrophobicContact CG2-CD1 4.23Å; I23-L48 WeakPolarHBondContact O-CA 3.21Å; I23-A49 PolarHBondContact O-N 2.97Å; I23-I91 HydrophobicContact CB-CG2 4.21Å; I23-I91 HydrophobicContact CD1-CG2 4.14Å; I23-I91 HydrophobicContact CG1-CG2 3.64Å; I23-I91 HydrophobicContact CG2-CG2 4.07Å; I23-I93 HydrophobicContact CG2-CD1 3.91Å; I23-I93 HydrophobicContact CG2-CG1 4.42Å; I23-V260 HydrophobicContact CD1-CG1 3.73Å; I23-L264 HydrophobicContact CD1-CD1 3.54Å; I23-L264 HydrophobicContact CG1-CD1 3.98Å
24T98.9Very high94.6Very high0 Ų046.9 Ų46.90%025%0.249CC..EExtended strand (participates in β ladder)trans-109.5137.3168.2-66.80000110.7V26 A49 V51 S86 S89 I91 V92 I93T24-V26 HydrophobicContact CG2-CG2 4.07Å; T24-A49 CarbonylContact C-O 3.31Å; T24-A49 VanDerWaalsContact CA-O 3.3Å; T24-A49 WeakPolarHBondContact CA-O 3.38Å; T24-A49 HydrophobicContact CG2-CB 4.49Å; T24-V51 HydrophobicContact CG2-CG2 4.08Å; T24-S86 WeakPolarHBondContact OG1-CA 3.13Å; T24-S86 WeakPolarHBondContact OG1-CB 3.47Å; T24-S89 PolarHBondContact OG1-OG 3.08Å; T24-I91 PolarHBondContact N-O 2.81Å; T24-V92 HydrophobicContact CG2-CG1 4.07Å; T24-V92 CarbonylContact O-C 3.57Å; T24-V92 WeakPolarHBondContact O-CA 3.16Å; T24-I93 PolarHBondContact O-N 2.93Å
25I98.9Very high95Very high0 Ų038.7 Ų38.70%021%0.211CC..EExtended strand (participates in β ladder)trans-114122.6168.4-60.9172.2000108.6I23 C35 A36 I39 L48 A49 L50 V51 I93 T95I23-I25 HydrophobicContact CG2-CG1 4.5Å; I25-C35 HydrophobicContact CD1-CB 4.08Å; I25-A36 VanDerWaalsContact CD1-CA 3.42Å; I25-A36 HydrophobicContact CD1-CB 3.61Å; I25-I39 HydrophobicContact CD1-CD1 4.33Å; I25-L48 HydrophobicContact CD1-CD1 4.03Å; I25-L48 HydrophobicContact CG1-CD1 4.28Å; I25-A49 PolarHBondContact N-O 2.92Å; I25-L50 HydrophobicContact CB-CD2 4Å; I25-L50 HydrophobicContact CD1-CD2 4.38Å; I25-V51 PolarHBondContact O-N 2.94Å; I25-I93 WeakPolarHBondContact CA-O 3.39Å; I25-I93 HydrophobicContact CG1-CB 4.27Å; I25-I93 HydrophobicContact CG1-CD1 4.16Å; I25-T95 HydrophobicContact CG2-CG2 4.35Å
26V98.8Very high95.7Very high2 Ų233.6 Ų33.61%0.01218%0.183CC..EExtended strand (participates in β ladder)trans-100.2119.6174.5-171.70000108.8T24 V51 Y83 V92 I93 T95 A96 I120 I124T24-V26 HydrophobicContact CG2-CG2 4.07Å; V26-V51 WeakPolarHBondContact CA-O 3.16Å; V26-V51 HydrophobicContact CG1-CB 4.45Å; V26-V51 HydrophobicContact CG1-CG1 4.45Å; V26-V51 HydrophobicContact CG2-CB 4.32Å; V26-Y83 HydrophobicContact CG1-CE1 4.43Å; V26-Y83 HydrophobicContact CG2-CE1 4.28Å; V26-V92 HydrophobicContact CG2-CG1 3.93Å; V26-I93 PolarHBondContact N-O 2.68Å; V26-T95 CarbonylContact O-C 3.58Å; V26-T95 WeakPolarHBondContact O-CA 3.46Å; V26-T95 PolarHBondContact O-N 2.74Å; V26-T95 PolarHBondContact O-OG1 2.83Å; V26-A96 HydrophobicContact CG1-CB 4.07Å; V26-A96 PolarHBondContact O-N 3.44Å; V26-I120 HydrophobicContact CG1-CD1 4.05Å; V26-I120 HydrophobicContact CG1-CG2 3.92Å; V26-I124 HydrophobicContact CG2-CD1 3.99Å
27G98Very high96.3Very high3 Ų330.7 Ų30.73%0.03117%0.167CC..  trans96.8117.9-17000000111.8G32 V51 D52 T95G27-G32 WeakPolarHBondContact O-CA 3.4Å; G27-V51 PolarHBondContact N-O 3.25Å; G27-D52 WeakPolarHBondContact CA-OD2 3.4Å; G27-T95 PolarHBondContact O-OG1 3.2Å; G27-T95 VanDerWaalsContact O-OG1 3.04Å
28T97.6Very high97.1Very high0 Ų022.9 Ų22.90%014%0.135CC..  trans-103.434174.2570000111.6M33 L50 D52 K57 L58T28-M33 HydrophobicContact CG2-SD 4.09Å; T28-L50 HydrophobicContact CG2-CB 3.98Å; T28-L50 HydrophobicContact CG2-CD1 4.21Å; T28-D52 HydrophobicContact CG2-CB 4.21Å; T28-D52 PolarHBondContact N-OD2 3.42Å; T28-D52 WeakPolarHBondContact OG1-CB 3.48Å; T28-D52 PolarHBondContact OG1-OD2 2.93Å; T28-K57 WeakPolarHBondContact O-CE 3.36Å; T28-K57 PolarHBondContact O-NZ 2.87Å; T28-L58 HydrophobicContact CG2-CD1 3.5Å; T28-L58 VanDerWaalsContact CG2-CD1 3.5Å
29G96.8Very high97.7Very high27 Ų2718 Ų1828%0.27811%0.109SC..SBendtrans-70179.616700000112.3V31 G32 M33G29-V31 PolarHBondContact O-N 2.85Å; G29-V31 VanDerWaalsContact O-N 3.15Å; G29-G32 PolarHBondContact O-N 3.26Å; G29-G32 VanDerWaalsContact O-N 3.09Å; G29-M33 PolarHBondContact O-N 2.98Å
30A97.6Very high98Very high31 Ų3117 Ų1726%0.25610%0.102SC..Hα-helixtrans-55.5-35179.600000113.7A34 Y247 S249A30-A34 VanDerWaalsContact O-CB 3.28Å; A30-A34 WeakPolarHBondContact O-CB 3.4Å; A30-A34 PolarHBondContact O-N 2.96Å; A30-A34 VanDerWaalsContact O-N 3.11Å; A30-Y247 HydrophobicContact CB-CD2 3.57Å; A30-Y247 HydrophobicContact CB-CE2 3.53Å; A30-Y247 HydrophobicContact CB-CG 4.35Å; A30-S249 WeakPolarHBondContact O-CB 3.16Å
31V98.3Very high98.3Very high36 Ų3616.5 Ų16.522%0.21810%0.103CC..Hα-helixtrans-69.9-49.5175.5175.90000111G29 M33 A34 C35 T95 V136 I252G29-V31 PolarHBondContact O-N 2.85Å; G29-V31 VanDerWaalsContact O-N 3.15Å; V31-M33 VanDerWaalsContact C-N 3.34Å; V31-M33 PolarHBondContact O-N 3Å; V31-A34 PolarHBondContact O-N 2.73Å; V31-C35 PolarHBondContact O-N 3.23Å; V31-C35 PolarHBondContact O-SG 3.07Å; V31-T95 HydrophobicContact CG1-CG2 4.09Å; V31-V136 HydrophobicContact CG1-CG1 3.82Å; V31-I252 HydrophobicContact CG1-CG1 4.32Å; V31-I252 HydrophobicContact CG1-CG2 3.96Å; V31-I252 HydrophobicContact CG2-CG2 4.05Å
32G98.6Very high98.4Very high1 Ų120.5 Ų20.51%0.0112%0.116CC..Hα-helixtrans-57.3-45.3178.600000112.7G27 G29 C35 A36G27-G32 WeakPolarHBondContact O-CA 3.4Å; G29-G32 PolarHBondContact O-N 3.26Å; G29-G32 VanDerWaalsContact O-N 3.09Å; G32-C35 WeakPolarHBondContact O-CB 3.5Å; G32-C35 PolarHBondContact O-N 2.9Å; G32-A36 PolarHBondContact O-N 3Å
33M98.8Very high98.3Very high23 Ų2324 Ų2411%0.11314%0.135CC..Hα-helixtrans-70.6-34.7178.4-62.3-48.9-59.600113T28 G29 V31 C35 A36 I37 L50 E61 L65T28-M33 HydrophobicContact CG2-SD 4.09Å; G29-M33 PolarHBondContact O-N 2.98Å; V31-M33 VanDerWaalsContact C-N 3.34Å; V31-M33 PolarHBondContact O-N 3Å; M33-C35 VanDerWaalsContact C-N 3.31Å; M33-C35 PolarHBondContact O-N 2.9Å; M33-A36 HydrophobicContact CE-CB 4.37Å; M33-A36 PolarHBondContact O-N 3.18Å; M33-I37 WeakPolarHBondContact O-CG2 3.38Å; M33-I37 PolarHBondContact O-N 2.94Å; M33-L50 HydrophobicContact SD-CD1 4.41Å; M33-E61 HydrophobicContact CE-CB 3.78Å; M33-E61 HydrophobicContact CE-CG 4.34Å; M33-E61 WeakPolarHBondContact CE-OE2 3.47Å; M33-E61 HydrophobicContact CG-CG 4.3Å; M33-E61 HydrophobicContact SD-CB 3.82Å; M33-E61 HydrophobicContact SD-CG 4.05Å; M33-L65 HydrophobicContact CE-CD1 3.66Å; M33-L65 HydrophobicContact CE-CD2 4.33Å; M33-L65 HydrophobicContact CE-CG 3.97Å
34A98.8Very high98.3Very high1 Ų124.5 Ų24.51%0.00814%0.138CC..Hα-helixtrans-64.1-36.2171.200000112.2A30 V31 S38 S249 W250A30-A34 VanDerWaalsContact O-CB 3.28Å; A30-A34 WeakPolarHBondContact O-CB 3.4Å; A30-A34 PolarHBondContact O-N 2.96Å; A30-A34 VanDerWaalsContact O-N 3.11Å; V31-A34 PolarHBondContact O-N 2.73Å; A34-S38 VanDerWaalsContact O-CB 3.3Å; A34-S38 WeakPolarHBondContact O-CB 3.49Å; A34-S38 PolarHBondContact O-N 3Å; A34-S38 PolarHBondContact O-OG 3.33Å; A34-S249 VanDerWaalsContact CB-O 3.31Å; A34-S249 WeakPolarHBondContact CB-O 3.32Å; A34-W250 HydrophobicContact CB-CE3 3.83Å; A34-W250 HydrophobicContact CB-CZ3 4.08Å
35C98.9Very high98.2Very high0 Ų025 Ų250%014%0.142CC..Hα-helixtrans-65.6-48.1171.7-61.10000110.7I25 V31 G32 M33 I37 S38 I39 V256I25-C35 HydrophobicContact CD1-CB 4.08Å; V31-C35 PolarHBondContact O-N 3.23Å; V31-C35 PolarHBondContact O-SG 3.07Å; G32-C35 WeakPolarHBondContact O-CB 3.5Å; G32-C35 PolarHBondContact O-N 2.9Å; M33-C35 VanDerWaalsContact C-N 3.31Å; M33-C35 PolarHBondContact O-N 2.9Å; C35-I37 PolarHBondContact O-N 3.1Å; C35-S38 PolarHBondContact O-N 2.97Å; C35-I39 WeakPolarHBondContact O-CB 3.36Å; C35-I39 WeakPolarHBondContact O-CD1 3.31Å; C35-I39 VanDerWaalsContact O-CG1 3.24Å; C35-I39 WeakPolarHBondContact O-CG1 3.36Å; C35-I39 PolarHBondContact O-N 3.21Å; C35-V256 HydrophobicContact CB-CG1 4.17Å
36A98.8Very high98.1Very high0 Ų027.3 Ų27.30%015%0.154CC..Hα-helixtrans-55.3-54.6-17900000111.7I25 G32 M33 S38 I39 L40 L48 L50 L65I25-A36 VanDerWaalsContact CD1-CA 3.42Å; I25-A36 HydrophobicContact CD1-CB 3.61Å; G32-A36 PolarHBondContact O-N 3Å; M33-A36 HydrophobicContact CE-CB 4.37Å; M33-A36 PolarHBondContact O-N 3.18Å; A36-S38 PolarHBondContact O-N 3.01Å; A36-I39 PolarHBondContact O-N 3.11Å; A36-L40 WeakPolarHBondContact O-CG 3.38Å; A36-L40 PolarHBondContact O-N 2.94Å; A36-L48 HydrophobicContact CB-CD2 4.16Å; A36-L50 HydrophobicContact CB-CD2 4.47Å; A36-L65 HydrophobicContact CB-CD1 4.16Å
37I98.7Very high98.1Very high55 Ų5527.8 Ų27.828%0.28216%0.156SC..Hα-helixtrans-65.7-38.4-178.1-16561.4000112.1M33 C35 I39 L40 L41 L65 W250M33-I37 WeakPolarHBondContact O-CG2 3.38Å; M33-I37 PolarHBondContact O-N 2.94Å; C35-I37 PolarHBondContact O-N 3.1Å; I37-I39 VanDerWaalsContact C-N 3.29Å; I37-I39 PolarHBondContact O-N 3.34Å; I37-L40 PolarHBondContact O-N 2.87Å; I37-L41 HydrophobicContact CD1-CD1 4.45Å; I37-L41 HydrophobicContact CD1-CG 4.35Å; I37-L41 HydrophobicContact CG1-CD1 4.01Å; I37-L41 HydrophobicContact CG1-CG 4.32Å; I37-L41 WeakPolarHBondContact O-CB 3.14Å; I37-L41 VanDerWaalsContact O-CG 3.27Å; I37-L41 WeakPolarHBondContact O-CG 3.31Å; I37-L41 PolarHBondContact O-N 2.94Å; I37-L65 HydrophobicContact CD1-CD2 4.13Å; I37-W250 HydrophobicContact CG2-CZ3 4.43Å
38S98.7Very high98.2Very high13 Ų1327.6 Ų27.69%0.09116%0.155CC..Hα-helixtrans-63.8-37.5177.7-59.40000111.9A34 C35 A36 K42 M257A34-S38 VanDerWaalsContact O-CB 3.3Å; A34-S38 WeakPolarHBondContact O-CB 3.49Å; A34-S38 PolarHBondContact O-N 3Å; A34-S38 PolarHBondContact O-OG 3.33Å; C35-S38 PolarHBondContact O-N 2.97Å; A36-S38 PolarHBondContact O-N 3.01Å; S38-K42 WeakPolarHBondContact O-CB 3.4Å; S38-K42 WeakPolarHBondContact O-CG 3.49Å; S38-K42 PolarHBondContact O-N 3.49Å; S38-M257 WeakPolarHBondContact O-CG 3.38Å
39I98.6Very high98.2Very high0 Ų027.6 Ų27.60%016%0.155CC..Hα-helixtrans-69-45.6177.6-77.1167000111.3I23 I25 C35 A36 I37 K42 D43 L44 A45 I93 M257 V260I23-I39 HydrophobicContact CD1-CD1 4.39Å; I23-I39 HydrophobicContact CD1-CG2 3.64Å; I23-I39 HydrophobicContact CG2-CD1 4.27Å; I25-I39 HydrophobicContact CD1-CD1 4.33Å; C35-I39 WeakPolarHBondContact O-CB 3.36Å; C35-I39 WeakPolarHBondContact O-CD1 3.31Å; C35-I39 VanDerWaalsContact O-CG1 3.24Å; C35-I39 WeakPolarHBondContact O-CG1 3.36Å; C35-I39 PolarHBondContact O-N 3.21Å; A36-I39 PolarHBondContact O-N 3.11Å; I37-I39 VanDerWaalsContact C-N 3.29Å; I37-I39 PolarHBondContact O-N 3.34Å; I39-K42 PolarHBondContact O-N 3.18Å; I39-D43 PolarHBondContact O-N 2.9Å; I39-L44 HydrophobicContact CG1-CD1 4.45Å; I39-L44 HydrophobicContact CG2-CB 4.24Å; I39-L44 PolarHBondContact O-N 2.78Å; I39-A45 HydrophobicContact CG2-CB 4.47Å; I39-I93 HydrophobicContact CD1-CD1 3.42Å; I39-I93 VanDerWaalsContact CD1-CD1 3.42Å; I39-M257 HydrophobicContact CG1-CB 4.41Å; I39-V260 HydrophobicContact CD1-CG2 4.44Å
40L98.5Very high98.3Very high0 Ų026.3 Ų26.30%014%0.141CC..Hα-helixtrans-60.2-48.3177.4-70.2172.3000110.9A36 I37 K42 D43 L48 L65 F72 T74 I77A36-L40 WeakPolarHBondContact O-CG 3.38Å; A36-L40 PolarHBondContact O-N 2.94Å; I37-L40 PolarHBondContact O-N 2.87Å; L40-K42 PolarHBondContact O-N 3.41Å; L40-K42 VanDerWaalsContact O-N 3.09Å; L40-D43 PolarHBondContact O-N 2.91Å; L40-D43 VanDerWaalsContact O-N 3.11Å; L40-L48 HydrophobicContact CD1-CD2 4.15Å; L40-L48 HydrophobicContact CD2-CD2 4.03Å; L40-L48 HydrophobicContact CG-CD2 4.09Å; L40-L65 HydrophobicContact CD1-CB 4.43Å; L40-L65 HydrophobicContact CD1-CD1 4.07Å; L40-L65 HydrophobicContact CD1-CD2 3.82Å; L40-L65 HydrophobicContact CD1-CG 4.34Å; L40-F72 HydrophobicContact CB-CD1 4.26Å; L40-F72 HydrophobicContact CB-CG 4.24Å; L40-F72 HydrophobicContact CD1-CD1 4.48Å; L40-F72 HydrophobicContact CD1-CE1 4.08Å; L40-F72 HydrophobicContact CD1-CZ 4.12Å; L40-F72 HydrophobicContact CD2-CD2 4.14Å; L40-F72 HydrophobicContact CD2-CE2 4.06Å; L40-F72 HydrophobicContact CD2-CZ 4.41Å; L40-T74 HydrophobicContact CD2-CG2 3.81Å; L40-T74 WeakPolarHBondContact CD2-OG1 3.43Å; L40-I77 HydrophobicContact CD1-CD1 4.13Å; L40-I77 HydrophobicContact CD2-CD1 4.12Å
41L98.2Very high98.4Very high107 Ų10725 Ų2556%0.5613%0.13SC*.THydrogen-bonded Turntrans-69.7-4.8179.8-65.4177.6000114.3I37I37-L41 HydrophobicContact CD1-CD1 4.45Å; I37-L41 HydrophobicContact CD1-CG 4.35Å; I37-L41 HydrophobicContact CG1-CD1 4.01Å; I37-L41 HydrophobicContact CG1-CG 4.32Å; I37-L41 WeakPolarHBondContact O-CB 3.14Å; I37-L41 VanDerWaalsContact O-CG 3.27Å; I37-L41 WeakPolarHBondContact O-CG 3.31Å; I37-L41 PolarHBondContact O-N 2.94Å
42K97.6Very high98.4Very high118 Ų11824.8 Ų24.851%0.51313%0.128SC..THydrogen-bonded Turntrans-1137.9175.4-74.9-69.2-173.5-165.90113.6S38 I39 L40 L44 M257S38-K42 WeakPolarHBondContact O-CB 3.4Å; S38-K42 WeakPolarHBondContact O-CG 3.49Å; S38-K42 PolarHBondContact O-N 3.49Å; I39-K42 PolarHBondContact O-N 3.18Å; L40-K42 PolarHBondContact O-N 3.41Å; L40-K42 VanDerWaalsContact O-N 3.09Å; K42-L44 HydrophobicContact CB-CD1 4.16Å; K42-L44 HydrophobicContact CB-CD2 4.36Å; K42-L44 HydrophobicContact CB-CG 3.82Å; K42-L44 PolarHBondContact O-N 3.17Å; K42-M257 HydrophobicContact CB-CG 4.14Å; K42-M257 HydrophobicContact CB-SD 4.32Å; K42-M257 HydrophobicContact CD-SD 4.36Å; K42-M257 HydrophobicContact CG-CE 4.22Å; K42-M257 HydrophobicContact CG-CG 3.89Å; K42-M257 HydrophobicContact CG-SD 3.67Å
43D97.3Very high98.2Very high86 Ų8630.7 Ų30.746%0.4616%0.163SC..THydrogen-bonded Turntrans48.345.1178.5-57.1-61.5000111.7I39 L40 S73I39-D43 PolarHBondContact O-N 2.9Å; L40-D43 PolarHBondContact O-N 2.91Å; L40-D43 VanDerWaalsContact O-N 3.11Å; D43-S73 WeakPolarHBondContact OD1-CB 3.42Å; D43-S73 PolarHBondContact OD1-N 2.92Å; D43-S73 VanDerWaalsContact OD1-N 3.12Å; D43-S73 PolarHBondContact OD1-OG 3.27Å
44L97.6Very high98.1Very high12 Ų1231.7 Ų31.76%0.06318%0.175CC..  trans-87.3-12.2-176.6-63.4-177.1000113.5C21 I23 I39 K42 M257 V260 L264 K265C21-L44 PolarHBondContact SG-O 3.05Å; I23-L44 HydrophobicContact CD1-CB 4.31Å; I39-L44 HydrophobicContact CG1-CD1 4.45Å; I39-L44 HydrophobicContact CG2-CB 4.24Å; I39-L44 PolarHBondContact O-N 2.78Å; K42-L44 HydrophobicContact CB-CD1 4.16Å; K42-L44 HydrophobicContact CB-CD2 4.36Å; K42-L44 HydrophobicContact CB-CG 3.82Å; K42-L44 PolarHBondContact O-N 3.17Å; L44-M257 HydrophobicContact CD1-CG 3.92Å; L44-V260 HydrophobicContact CD1-CB 4.33Å; L44-V260 HydrophobicContact CD1-CG1 3.96Å; L44-L264 HydrophobicContact CB-CD1 4.4Å; L44-L264 WeakPolarHBondContact O-CD1 3.49Å; L44-K265 HydrophobicContact CD2-CD 4.49Å
45A97.6Very high97.9Very high10 Ų1034.1 Ų34.18%0.08319%0.192CC..  trans-138.3143.8-175.900000111.9C21 I23 I39 T74C21-A45 WeakPolarHBondContact O-CA 3.35Å; C21-A45 WeakPolarHBondContact O-CB 3.11Å; I23-A45 HydrophobicContact CB-CB 4.26Å; I23-A45 HydrophobicContact CD1-CB 3.78Å; I23-A45 HydrophobicContact CG1-CB 3.77Å; I39-A45 HydrophobicContact CG2-CB 4.47Å; A45-T74 WeakPolarHBondContact O-CB 3.47Å; A45-T74 PolarHBondContact O-OG1 2.88Å
46D97.4Very high97.9Very high48 Ų4841 Ų4126%0.25723%0.229SC..SBendtrans-87.7-26.4166.456.6-5.3000111.9S19 Q20 C21 K22 S75 K76S19-D46 VanDerWaalsContact OG-CG 3.28Å; S19-D46 PolarHBondContact OG-OD1 2.9Å; S19-D46 PolarHBondContact OG-OD2 3.21Å; Q20-D46 PolarHBondContact N-OD2 2.8Å; C21-D46 VanDerWaalsContact CA-OD1 3.27Å; C21-D46 WeakPolarHBondContact CA-OD1 3.46Å; C21-D46 PolarHBondContact N-OD1 3.3Å; C21-D46 PolarHBondContact N-OD2 2.9Å; C21-D46 VanDerWaalsContact O-OD1 3.13Å; K22-D46 PolarHBondContact N-OD1 3Å; D46-S75 PolarHBondContact O-N 3.5Å; D46-S75 PolarHBondContact O-OG 3.3Å; D46-S75 VanDerWaalsContact O-OG 3.06Å; D46-K76 PolarHBondContact O-N 2.93Å
47E98.4Very high97.8Very high12 Ų1245.6 Ų45.66%0.05625%0.249CC..EExtended strand (participates in β ladder)trans-133.9130.4172.7-176.4171.9147.800111.8K22 I23 K76K22-E47 WeakPolarHBondContact CA-O 3.41Å; K22-E47 HydrophobicContact CB-CB 4.35Å; K22-E47 HydrophobicContact CD-CG 4.16Å; K22-E47 WeakPolarHBondContact CE-OE1 3.26Å; K22-E47 HydrophobicContact CG-CB 4.17Å; K22-E47 HydrophobicContact CG-CG 4.14Å; K22-E47 IonicContact NZ-OE1 3.65Å; K22-E47 PolarHBondContact NZ-OE1 3.07Å; I23-E47 PolarHBondContact N-O 3.27Å; E47-K76 CarbonylContact C-O 3.56Å; E47-K76 WeakPolarHBondContact CA-O 3.47Å; E47-K76 HydrophobicContact CB-CB 4.41Å; E47-K76 VanDerWaalsContact CD-NZ 3.32Å; E47-K76 HydrophobicContact CG-CB 4.17Å; E47-K76 HydrophobicContact CG-CD 4.13Å; E47-K76 HydrophobicContact CG-CG 4.07Å; E47-K76 IonicContact OE1-NZ 3.09Å; E47-K76 PolarHBondContact OE1-NZ 2.84Å; E47-K76 WeakPolarHBondContact OE2-CD 3.18Å; E47-K76 WeakPolarHBondContact OE2-CE 3.29Å; E47-K76 IonicContact OE2-NZ 2.8Å; E47-K76 PolarHBondContact OE2-NZ 3.12Å
48L98.8Very high97.8Very high0 Ų043.2 Ų43.20%024%0.237CC..EExtended strand (participates in β ladder)trans-111.7129.9171.3-178.667.2000110I23 I25 A36 L40 L50 L65 T74 K76 I77 T78I23-L48 HydrophobicContact CB-CD1 4.27Å; I23-L48 HydrophobicContact CG2-CD1 4.23Å; I23-L48 WeakPolarHBondContact O-CA 3.21Å; I25-L48 HydrophobicContact CD1-CD1 4.03Å; I25-L48 HydrophobicContact CG1-CD1 4.28Å; A36-L48 HydrophobicContact CB-CD2 4.16Å; L40-L48 HydrophobicContact CD1-CD2 4.15Å; L40-L48 HydrophobicContact CD2-CD2 4.03Å; L40-L48 HydrophobicContact CG-CD2 4.09Å; L48-L50 HydrophobicContact CD2-CD2 4.29Å; L48-L50 HydrophobicContact CG-CD2 4.26Å; L48-L65 HydrophobicContact CD2-CD1 4.25Å; L48-T74 HydrophobicContact CB-CG2 4.32Å; L48-K76 PolarHBondContact N-O 3.41Å; L48-I77 HydrophobicContact CB-CG1 4.41Å; L48-I77 HydrophobicContact CD2-CG2 4.5Å; L48-I77 CarbonylContact O-C 3.32Å; L48-I77 WeakPolarHBondContact O-CA 3.2Å; L48-T78 PolarHBondContact O-N 3.33Å
49A98.8Very high97.8Very high0 Ų048.6 Ų48.60%026%0.258CS..EExtended strand (participates in β ladder)trans-116.4135.6172.300000111.1I23 T24 I25 T78 V85I23-A49 PolarHBondContact O-N 2.97Å; T24-A49 CarbonylContact C-O 3.31Å; T24-A49 VanDerWaalsContact CA-O 3.3Å; T24-A49 WeakPolarHBondContact CA-O 3.38Å; T24-A49 HydrophobicContact CG2-CB 4.49Å; I25-A49 PolarHBondContact N-O 2.92Å; A49-T78 CarbonylContact C-O 3.59Å; A49-T78 WeakPolarHBondContact CA-O 3.49Å; A49-V85 WeakPolarHBondContact CB-O 3.32Å
50L98.9Very high97.8Very high0 Ų050.4 Ų50.40%028%0.277CS..EExtended strand (participates in β ladder)trans-113.2132.8176.2-55.6-179.7000110.4I25 T28 M33 A36 L48 L58 M62 L65 T78 S79 G80I25-L50 HydrophobicContact CB-CD2 4Å; I25-L50 HydrophobicContact CD1-CD2 4.38Å; T28-L50 HydrophobicContact CG2-CB 3.98Å; T28-L50 HydrophobicContact CG2-CD1 4.21Å; M33-L50 HydrophobicContact SD-CD1 4.41Å; A36-L50 HydrophobicContact CB-CD2 4.47Å; L48-L50 HydrophobicContact CD2-CD2 4.29Å; L48-L50 HydrophobicContact CG-CD2 4.26Å; L50-L58 HydrophobicContact CB-CD1 3.69Å; L50-M62 HydrophobicContact CD1-CB 4.48Å; L50-L65 HydrophobicContact CD1-CD1 4.15Å; L50-T78 PolarHBondContact N-O 3.4Å; L50-S79 CarbonylContact O-C 3.6Å; L50-S79 WeakPolarHBondContact O-CA 3.42Å; L50-S79 WeakPolarHBondContact O-CB 3.45Å; L50-G80 PolarHBondContact O-N 3.32Å
51V98.7Very high97.8Very high2 Ų252.8 Ų52.81%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-125.8126.41771800000109.7T24 I25 V26 G27 G80 Y83 V85T24-V51 HydrophobicContact CG2-CG2 4.08Å; I25-V51 PolarHBondContact O-N 2.94Å; V26-V51 WeakPolarHBondContact CA-O 3.16Å; V26-V51 HydrophobicContact CG1-CB 4.45Å; V26-V51 HydrophobicContact CG1-CG1 4.45Å; V26-V51 HydrophobicContact CG2-CB 4.32Å; G27-V51 PolarHBondContact N-O 3.25Å; V51-G80 WeakPolarHBondContact CA-O 3.25Å; V51-Y83 HydrophobicContact CG1-CD1 4.21Å; V51-Y83 HydrophobicContact CG1-CE1 3.76Å; V51-Y83 HydrophobicContact CG1-CE2 4.18Å; V51-V85 HydrophobicContact CG2-CG2 3.7Å
52D98Very high97.8Very high32 Ų3249 Ų4917%0.17127%0.268CS..  trans-154.7159.3173.9-158.5-71.7000110.4G27 T28 A54 L58 K81G27-D52 WeakPolarHBondContact CA-OD2 3.4Å; T28-D52 HydrophobicContact CG2-CB 4.21Å; T28-D52 PolarHBondContact N-OD2 3.42Å; T28-D52 WeakPolarHBondContact OG1-CB 3.48Å; T28-D52 PolarHBondContact OG1-OD2 2.93Å; D52-A54 PolarHBondContact OD1-N 3.44Å; D52-L58 HydrophobicContact CB-CB 4.28Å; D52-L58 HydrophobicContact CB-CD1 4.01Å; D52-L58 HydrophobicContact CB-CD2 4.33Å; D52-L58 HydrophobicContact CB-CG 4.44Å; D52-K81 VanDerWaalsContact O-CG 3.31Å; D52-K81 WeakPolarHBondContact O-CG 3.09Å
53V96Very high97.9Very high126 Ų12646.9 Ų46.976%0.76426%0.261SS*.SBendtrans-83.6-17.8177.2-62.10000112.7S55 K81V53-S55 PolarHBondContact O-N 3.3Å; V53-K81 WeakPolarHBondContact O-CE 3.09Å; V53-K81 PolarHBondContact O-NZ 2.95Å
54A95.9Very high98Very high43 Ų4348.2 Ų48.236%0.35527%0.268SS..  trans-8888.7177.700000111.1D52 D56 K57 L58D52-A54 PolarHBondContact OD1-N 3.44Å; A54-D56 PolarHBondContact O-N 2.94Å; A54-K57 HydrophobicContact CB-CB 4.04Å; A54-K57 PolarHBondContact O-N 3.47Å; A54-L58 VanDerWaalsContact O-CB 3.26Å; A54-L58 WeakPolarHBondContact O-CB 3.45Å; A54-L58 PolarHBondContact O-N 3.16Å
55S95.1Very high98Very high53 Ų5348.4 Ų48.437%0.37127%0.269SS..Hα-helixtrans-48.4-53.2-173.8-80.70000114.7V53 L58 K59 K81V53-S55 PolarHBondContact O-N 3.3Å; S55-L58 PolarHBondContact O-N 3.11Å; S55-K59 WeakPolarHBondContact O-CB 3.3Å; S55-K59 PolarHBondContact O-N 2.81Å; S55-K81 VanDerWaalsContact OG-CD 3.31Å; S55-K81 WeakPolarHBondContact OG-CD 3.35Å; S55-K81 WeakPolarHBondContact OG-CE 3.45Å; S55-K81 PolarHBondContact OG-NZ 3.36Å
56D97.7Very high98.1Very high145 Ų14551.3 Ų51.378%0.77528%0.281SS*.Hα-helixtrans-70-42.1-172-64.4-17.5000111A54 K59 G60A54-D56 PolarHBondContact O-N 2.94Å; D56-K59 PolarHBondContact O-N 3.38Å; D56-G60 PolarHBondContact O-N 2.95Å
57K98Very high98.1Very high96 Ų9655.7 Ų55.742%0.41730%0.3SS..Hα-helixtrans-60.1-49.9173.6-168.5-170.9-175.9-159.70110.8T28 A54 K59 G60 E61T28-K57 WeakPolarHBondContact O-CE 3.36Å; T28-K57 PolarHBondContact O-NZ 2.87Å; A54-K57 HydrophobicContact CB-CB 4.04Å; A54-K57 PolarHBondContact O-N 3.47Å; K57-K59 VanDerWaalsContact C-N 3.32Å; K57-K59 PolarHBondContact O-N 3.09Å; K57-G60 PolarHBondContact O-N 3.04Å; K57-G60 VanDerWaalsContact O-N 3.15Å; K57-E61 WeakPolarHBondContact CE-OE1 3.49Å; K57-E61 HydrophobicContact CG-CG 4.19Å; K57-E61 VanDerWaalsContact O-CG 3.24Å; K57-E61 WeakPolarHBondContact O-CG 3.25Å; K57-E61 PolarHBondContact O-N 3.13Å
58L98.5Very high98.1Very high4 Ų456 Ų562%0.02131%0.305CS..Hα-helixtrans-55.3-46.5179179.160.9000112T28 L50 D52 A54 S55 M62T28-L58 HydrophobicContact CG2-CD1 3.5Å; T28-L58 VanDerWaalsContact CG2-CD1 3.5Å; L50-L58 HydrophobicContact CB-CD1 3.69Å; D52-L58 HydrophobicContact CB-CB 4.28Å; D52-L58 HydrophobicContact CB-CD1 4.01Å; D52-L58 HydrophobicContact CB-CD2 4.33Å; D52-L58 HydrophobicContact CB-CG 4.44Å; A54-L58 VanDerWaalsContact O-CB 3.26Å; A54-L58 WeakPolarHBondContact O-CB 3.45Å; A54-L58 PolarHBondContact O-N 3.16Å; S55-L58 PolarHBondContact O-N 3.11Å; L58-M62 WeakPolarHBondContact O-CB 3.35Å; L58-M62 PolarHBondContact O-N 3.1Å
59K98.3Very high98.1Very high126 Ų12658.5 Ų58.555%0.54832%0.323SS..Hα-helixtrans-64.8-43177.3-175.3178.4177.7-176.90111.7S55 D56 K57 M62 M63S55-K59 WeakPolarHBondContact O-CB 3.3Å; S55-K59 PolarHBondContact O-N 2.81Å; D56-K59 PolarHBondContact O-N 3.38Å; K57-K59 VanDerWaalsContact C-N 3.32Å; K57-K59 PolarHBondContact O-N 3.09Å; K59-M62 PolarHBondContact O-N 3.32Å; K59-M63 HydrophobicContact CD-SD 4.45Å; K59-M63 HydrophobicContact CG-CG 4.43Å; K59-M63 HydrophobicContact CG-SD 3.94Å; K59-M63 WeakPolarHBondContact O-CB 3.33Å; K59-M63 VanDerWaalsContact O-CG 3.28Å; K59-M63 WeakPolarHBondContact O-CG 3.34Å; K59-M63 PolarHBondContact O-N 2.97Å
60G98.7Very high98Very high38 Ų3865.5 Ų65.539%0.39236%0.36SS..Hα-helixtrans-59.3-51.6176.900000112.3D56 K57 M62 M63 D64D56-G60 PolarHBondContact O-N 2.95Å; K57-G60 PolarHBondContact O-N 3.04Å; K57-G60 VanDerWaalsContact O-N 3.15Å; G60-M62 VanDerWaalsContact C-N 3.33Å; G60-M62 PolarHBondContact O-N 3.24Å; G60-M63 PolarHBondContact O-N 2.92Å; G60-D64 WeakPolarHBondContact O-CB 3.5Å; G60-D64 PolarHBondContact O-N 3.08Å
61E98.8Very high98Very high51 Ų5173 Ų7324%0.23839%0.393CS..Hα-helixtrans-60.6-41.2178.4-63.9-74.4-17300111.8M33 K57 L65M33-E61 HydrophobicContact CE-CB 3.78Å; M33-E61 HydrophobicContact CE-CG 4.34Å; M33-E61 WeakPolarHBondContact CE-OE2 3.47Å; M33-E61 HydrophobicContact CG-CG 4.3Å; M33-E61 HydrophobicContact SD-CB 3.82Å; M33-E61 HydrophobicContact SD-CG 4.05Å; K57-E61 WeakPolarHBondContact CE-OE1 3.49Å; K57-E61 HydrophobicContact CG-CG 4.19Å; K57-E61 VanDerWaalsContact O-CG 3.24Å; K57-E61 WeakPolarHBondContact O-CG 3.25Å; K57-E61 PolarHBondContact O-N 3.13Å; E61-L65 WeakPolarHBondContact O-CG 3.42Å; E61-L65 PolarHBondContact O-N 3.11Å
62M98.7Very high97.9Very high27 Ų2774.1 Ų74.113%0.13340%0.397CS..Hα-helixtrans-62.6-47.9175.1-179.4-163.165.500111.8L50 L58 K59 G60 D64 L65 Q66 I77 S79L50-M62 HydrophobicContact CD1-CB 4.48Å; L58-M62 WeakPolarHBondContact O-CB 3.35Å; L58-M62 PolarHBondContact O-N 3.1Å; K59-M62 PolarHBondContact O-N 3.32Å; G60-M62 VanDerWaalsContact C-N 3.33Å; G60-M62 PolarHBondContact O-N 3.24Å; M62-D64 VanDerWaalsContact C-N 3.34Å; M62-D64 PolarHBondContact O-N 3.28Å; M62-L65 PolarHBondContact O-N 3.03Å; M62-Q66 HydrophobicContact CG-CG 4.43Å; M62-Q66 WeakPolarHBondContact O-CB 3.41Å; M62-Q66 VanDerWaalsContact O-CG 3.28Å; M62-Q66 WeakPolarHBondContact O-CG 3.29Å; M62-Q66 PolarHBondContact O-N 3.43Å; M62-I77 HydrophobicContact CG-CG2 4.1Å; M62-S79 PolarHBondContact SD-N 2.78Å; M62-S79 VanDerWaalsContact SD-N 3.38Å; M62-S79 PolarHBondContact SD-OG 2.71Å
63M98.8Very high97.9Very high74 Ų7476.9 Ų76.937%0.36542%0.419SS..Hα-helixtrans-63.9-40.1-178.7-75.1176.459.400111.8K59 G60 Q66 H67K59-M63 HydrophobicContact CD-SD 4.45Å; K59-M63 HydrophobicContact CG-CG 4.43Å; K59-M63 HydrophobicContact CG-SD 3.94Å; K59-M63 WeakPolarHBondContact O-CB 3.33Å; K59-M63 VanDerWaalsContact O-CG 3.28Å; K59-M63 WeakPolarHBondContact O-CG 3.34Å; K59-M63 PolarHBondContact O-N 2.97Å; G60-M63 PolarHBondContact O-N 2.92Å; M63-Q66 WeakPolarHBondContact O-CB 3.39Å; M63-Q66 PolarHBondContact O-N 3.25Å; M63-H67 PolarHBondContact O-CD2 3.33Å; M63-H67 VanDerWaalsContact O-CG 3.31Å; M63-H67 PolarHBondContact O-N 2.87Å
64D98.8Very high97.9Very high113 Ų11371 Ų7160%0.60438%0.384SS*.Hα-helixtrans-63-44.6178.5-16322.9000111.2G60 M62 Q66 H67 G68G60-D64 WeakPolarHBondContact O-CB 3.5Å; G60-D64 PolarHBondContact O-N 3.08Å; M62-D64 VanDerWaalsContact C-N 3.34Å; M62-D64 PolarHBondContact O-N 3.28Å; D64-Q66 PolarHBondContact O-N 3.11Å; D64-H67 PolarHBondContact O-N 2.96Å; D64-G68 PolarHBondContact O-N 3.02Å
65L98.6Very high97.9Very high17 Ų1774.1 Ų74.19%0.08940%0.403CS..Hα-helixtrans-61.6-43.2171.5-67.1-179.6000112.1M33 A36 I37 L40 L48 L50 E61 M62 H67 G68 F72 I77M33-L65 HydrophobicContact CE-CD1 3.66Å; M33-L65 HydrophobicContact CE-CD2 4.33Å; M33-L65 HydrophobicContact CE-CG 3.97Å; A36-L65 HydrophobicContact CB-CD1 4.16Å; I37-L65 HydrophobicContact CD1-CD2 4.13Å; L40-L65 HydrophobicContact CD1-CB 4.43Å; L40-L65 HydrophobicContact CD1-CD1 4.07Å; L40-L65 HydrophobicContact CD1-CD2 3.82Å; L40-L65 HydrophobicContact CD1-CG 4.34Å; L48-L65 HydrophobicContact CD2-CD1 4.25Å; L50-L65 HydrophobicContact CD1-CD1 4.15Å; E61-L65 WeakPolarHBondContact O-CG 3.42Å; E61-L65 PolarHBondContact O-N 3.11Å; M62-L65 PolarHBondContact O-N 3.03Å; L65-H67 VanDerWaalsContact C-N 3.32Å; L65-H67 PolarHBondContact O-N 3.04Å; L65-G68 WeakPolarHBondContact O-CA 3.38Å; L65-G68 PolarHBondContact O-N 3.32Å; L65-F72 VanDerWaalsContact O-CZ 3.27Å; L65-F72 WeakPolarHBondContact O-CZ 3.46Å; L65-I77 HydrophobicContact CB-CD1 3.84Å
66Q98.8Very high98Very high70 Ų7075.5 Ų75.533%0.32740%0.402SS..Hα-helixtrans-61.2-37.9178.7-76.8172.8-19.800112.5M62 M63 D64 G68 S69 I77M62-Q66 HydrophobicContact CG-CG 4.43Å; M62-Q66 WeakPolarHBondContact O-CB 3.41Å; M62-Q66 VanDerWaalsContact O-CG 3.28Å; M62-Q66 WeakPolarHBondContact O-CG 3.29Å; M62-Q66 PolarHBondContact O-N 3.43Å; M63-Q66 WeakPolarHBondContact O-CB 3.39Å; M63-Q66 PolarHBondContact O-N 3.25Å; D64-Q66 PolarHBondContact O-N 3.11Å; Q66-G68 PolarHBondContact O-N 2.93Å; Q66-S69 WeakPolarHBondContact CA-OG 3.19Å; Q66-S69 VanDerWaalsContact O-CB 3.25Å; Q66-S69 WeakPolarHBondContact O-CB 3.46Å; Q66-S69 PolarHBondContact O-N 3.47Å; Q66-S69 PolarHBondContact O-OG 3.29Å; Q66-I77 HydrophobicContact CG-CB 4.04Å; Q66-I77 PolarHBondContact NE2-O 3.03Å
67H98.6Very high98Very high141 Ų14169 Ų6965%0.65337%0.367SS*.Hα-helixtrans-63.5-24.1174.3-66.7170.9000112.4M63 D64 L65 S69M63-H67 PolarHBondContact O-CD2 3.33Å; M63-H67 VanDerWaalsContact O-CG 3.31Å; M63-H67 PolarHBondContact O-N 2.87Å; D64-H67 PolarHBondContact O-N 2.96Å; L65-H67 VanDerWaalsContact C-N 3.32Å; L65-H67 PolarHBondContact O-N 3.04Å; H67-S69 VanDerWaalsContact C-N 3.33Å
68G98.3Very high98Very high17 Ų1766.2 Ų66.218%0.17536%0.358CS..THydrogen-bonded Turntrans-80.4-1.5172.400000115.6D64 L65 Q66 L70 F71 F72D64-G68 PolarHBondContact O-N 3.02Å; L65-G68 WeakPolarHBondContact O-CA 3.38Å; L65-G68 PolarHBondContact O-N 3.32Å; Q66-G68 PolarHBondContact O-N 2.93Å; G68-L70 PolarHBondContact O-N 3.43Å; G68-F71 WeakPolarHBondContact O-CD2 3.4Å; G68-F71 PolarHBondContact O-N 2.97Å; G68-F72 WeakPolarHBondContact O-CD1 3.27Å; G68-F72 WeakPolarHBondContact O-CE1 3.38Å
69S98.1Very high98Very high54 Ų5467.3 Ų67.338%0.37837%0.366SS..G310 helixtrans-59.1-16.6-171.5-56.20000115.2Q66 H67 F71 F72Q66-S69 WeakPolarHBondContact CA-OG 3.19Å; Q66-S69 VanDerWaalsContact O-CB 3.25Å; Q66-S69 WeakPolarHBondContact O-CB 3.46Å; Q66-S69 PolarHBondContact O-N 3.47Å; Q66-S69 PolarHBondContact O-OG 3.29Å; H67-S69 VanDerWaalsContact C-N 3.33Å; S69-F71 PolarHBondContact O-N 3.01Å; S69-F72 VanDerWaalsContact CA-CZ 3.46Å
70L98.1Very high98Very high146 Ų14662.1 Ų62.176%0.76435%0.348SS*.G310 helixtrans-68-24.2172.7-177.860.9000112.9G68G68-L70 PolarHBondContact O-N 3.43Å
71F98.1Very high97.9Very high159 Ų15965.8 Ų65.870%0.69735%0.353SS*.G310 helixtrans-105.25.5-167-50.9-64.6000114.3G68 S69G68-F71 WeakPolarHBondContact O-CD2 3.4Å; G68-F71 PolarHBondContact O-N 2.97Å; S69-F71 PolarHBondContact O-N 3.01Å
72F96.8Very high97.8Very high25 Ų2567.7 Ų67.711%0.1137%0.365CS..SBendtrans-149.4167.5176.751.7-108.6000111L40 L65 G68 S69 I77L40-F72 HydrophobicContact CB-CD1 4.26Å; L40-F72 HydrophobicContact CB-CG 4.24Å; L40-F72 HydrophobicContact CD1-CD1 4.48Å; L40-F72 HydrophobicContact CD1-CE1 4.08Å; L40-F72 HydrophobicContact CD1-CZ 4.12Å; L40-F72 HydrophobicContact CD2-CD2 4.14Å; L40-F72 HydrophobicContact CD2-CE2 4.06Å; L40-F72 HydrophobicContact CD2-CZ 4.41Å; L65-F72 VanDerWaalsContact O-CZ 3.27Å; L65-F72 WeakPolarHBondContact O-CZ 3.46Å; G68-F72 WeakPolarHBondContact O-CD1 3.27Å; G68-F72 WeakPolarHBondContact O-CE1 3.38Å; S69-F72 VanDerWaalsContact CA-CZ 3.46Å; F72-I77 HydrophobicContact CE2-CD1 3.84Å; F72-I77 HydrophobicContact CZ-CD1 3.65Å
73S96.7Very high97.8Very high90 Ų9068.1 Ų68.163%0.62937%0.366SS*.  trans-95.4-4.5-171.1-42.50000115D43 S75D43-S73 WeakPolarHBondContact OD1-CB 3.42Å; D43-S73 PolarHBondContact OD1-N 2.92Å; D43-S73 VanDerWaalsContact OD1-N 3.12Å; D43-S73 PolarHBondContact OD1-OG 3.27Å; S73-S75 PolarHBondContact O-N 3.42Å; S73-S75 VanDerWaalsContact O-N 3.16Å
74T97.9Very high97.8Very high3 Ų367 Ų672%0.01837%0.365CS..  trans-69.5109.5178-58.60000110.9L40 A45 L48 K76 I77L40-T74 HydrophobicContact CD2-CG2 3.81Å; L40-T74 WeakPolarHBondContact CD2-OG1 3.43Å; A45-T74 WeakPolarHBondContact O-CB 3.47Å; A45-T74 PolarHBondContact O-OG1 2.88Å; L48-T74 HydrophobicContact CB-CG2 4.32Å; T74-K76 VanDerWaalsContact C-N 3.34Å; T74-K76 PolarHBondContact O-N 2.81Å; T74-I77 HydrophobicContact CG2-CG1 4.41Å
75S94.4Very high97.7Very high107 Ų10763.2 Ų63.275%0.74835%0.346SS*.  trans-71.9-22.7-17266.80000115.2D46 S73D46-S75 PolarHBondContact O-N 3.5Å; D46-S75 PolarHBondContact O-OG 3.3Å; D46-S75 VanDerWaalsContact O-OG 3.06Å; S73-S75 PolarHBondContact O-N 3.42Å; S73-S75 VanDerWaalsContact O-N 3.16Å
76K97.4Very high97.7Very high83 Ų8362.4 Ų62.436%0.36134%0.342SS..EExtended strand (participates in β ladder)trans-141.2124-172.3-175.3172.5164.2-152.20111.6D46 E47 L48 T74 T78D46-K76 PolarHBondContact O-N 2.93Å; E47-K76 CarbonylContact C-O 3.56Å; E47-K76 WeakPolarHBondContact CA-O 3.47Å; E47-K76 HydrophobicContact CB-CB 4.41Å; E47-K76 VanDerWaalsContact CD-NZ 3.32Å; E47-K76 HydrophobicContact CG-CB 4.17Å; E47-K76 HydrophobicContact CG-CD 4.13Å; E47-K76 HydrophobicContact CG-CG 4.07Å; E47-K76 IonicContact OE1-NZ 3.09Å; E47-K76 PolarHBondContact OE1-NZ 2.84Å; E47-K76 WeakPolarHBondContact OE2-CD 3.18Å; E47-K76 WeakPolarHBondContact OE2-CE 3.29Å; E47-K76 IonicContact OE2-NZ 2.8Å; E47-K76 PolarHBondContact OE2-NZ 3.12Å; L48-K76 PolarHBondContact N-O 3.41Å; T74-K76 VanDerWaalsContact C-N 3.34Å; T74-K76 PolarHBondContact O-N 2.81Å; K76-T78 HydrophobicContact CD-CG2 4.49Å; K76-T78 HydrophobicContact CG-CG2 4.02Å
77I98.4Very high97.6Very high9 Ų960.3 Ų60.35%0.04634%0.336CS..EExtended strand (participates in β ladder)trans-122.4123.4172.5-54.2-178000107.7L40 L48 M62 L65 Q66 F72 T74L40-I77 HydrophobicContact CD1-CD1 4.13Å; L40-I77 HydrophobicContact CD2-CD1 4.12Å; L48-I77 HydrophobicContact CB-CG1 4.41Å; L48-I77 HydrophobicContact CD2-CG2 4.5Å; L48-I77 CarbonylContact O-C 3.32Å; L48-I77 WeakPolarHBondContact O-CA 3.2Å; M62-I77 HydrophobicContact CG-CG2 4.1Å; L65-I77 HydrophobicContact CB-CD1 3.84Å; Q66-I77 HydrophobicContact CG-CB 4.04Å; Q66-I77 PolarHBondContact NE2-O 3.03Å; F72-I77 HydrophobicContact CE2-CD1 3.84Å; F72-I77 HydrophobicContact CZ-CD1 3.65Å; T74-I77 HydrophobicContact CG2-CG1 4.41Å
78T98Very high97.6Very high36 Ų3658.4 Ų58.422%0.22133%0.331CS..EExtended strand (participates in β ladder)trans-127.4158.7-18057.30000110.7L48 A49 L50 K76L48-T78 PolarHBondContact O-N 3.33Å; A49-T78 CarbonylContact C-O 3.59Å; A49-T78 WeakPolarHBondContact CA-O 3.49Å; L50-T78 PolarHBondContact N-O 3.4Å; K76-T78 HydrophobicContact CD-CG2 4.49Å; K76-T78 HydrophobicContact CG-CG2 4.02Å
79S98.4Very high97.6Very high28 Ų2857.8 Ų57.820%0.19632%0.324CS..EExtended strand (participates in β ladder)trans-147.9154.917371.90000112L50 M62L50-S79 CarbonylContact O-C 3.6Å; L50-S79 WeakPolarHBondContact O-CA 3.42Å; L50-S79 WeakPolarHBondContact O-CB 3.45Å; M62-S79 PolarHBondContact SD-N 2.78Å; M62-S79 VanDerWaalsContact SD-N 3.38Å; M62-S79 PolarHBondContact SD-OG 2.71Å
80G97.6Very high97.6Very high16 Ų1660.6 Ų60.617%0.16533%0.326CS..EExtended strand (participates in β ladder)trans-173.2155.6176.700000112.8L50 V51L50-G80 PolarHBondContact O-N 3.32Å; V51-G80 WeakPolarHBondContact CA-O 3.25Å
81K97.3Very high97.7Very high115 Ų11553.6 Ų53.650%0.529%0.29SS..SBendtrans-71.9-34.8167.5-78.7176.7158173.10111.9D52 V53 S55D52-K81 VanDerWaalsContact O-CG 3.31Å; D52-K81 WeakPolarHBondContact O-CG 3.09Å; V53-K81 WeakPolarHBondContact O-CE 3.09Å; V53-K81 PolarHBondContact O-NZ 2.95Å; S55-K81 VanDerWaalsContact OG-CD 3.31Å; S55-K81 WeakPolarHBondContact OG-CD 3.35Å; S55-K81 WeakPolarHBondContact OG-CE 3.45Å; S55-K81 PolarHBondContact OG-NZ 3.36Å
82D97Very high97.7Very high92 Ų9246 Ų4649%0.49226%0.257SS..SBendtrans-77.9128.7178.7-170.2-53.5000109.7S84 V85D82-S84 VanDerWaalsContact CG-OG 3.3Å; D82-S84 PolarHBondContact O-N 2.99Å; D82-S84 VanDerWaalsContact O-N 3.14Å; D82-S84 WeakPolarHBondContact OD1-CB 3.24Å; D82-S84 PolarHBondContact OD1-N 2.94Å; D82-S84 PolarHBondContact OD1-OG 2.67Å; D82-V85 WeakPolarHBondContact O-CG2 3.24Å; D82-V85 PolarHBondContact O-N 2.87Å
83Y97.9Very high97.8Very high35 Ų3544.9 Ų44.914%0.13725%0.252CS..G310 helixtrans-68.1-8.5-177.6-76.7-92.6000114.2V26 V51 V85 S86 I120 A123 I124 Y127V26-Y83 HydrophobicContact CG1-CE1 4.43Å; V26-Y83 HydrophobicContact CG2-CE1 4.28Å; V51-Y83 HydrophobicContact CG1-CD1 4.21Å; V51-Y83 HydrophobicContact CG1-CE1 3.76Å; V51-Y83 HydrophobicContact CG1-CE2 4.18Å; Y83-V85 PolarHBondContact O-N 3.37Å; Y83-S86 WeakPolarHBondContact O-CA 3.29Å; Y83-S86 VanDerWaalsContact O-CB 3.28Å; Y83-S86 WeakPolarHBondContact O-CB 3.39Å; Y83-S86 PolarHBondContact O-N 3.29Å; Y83-S86 PolarHBondContact O-OG 3.02Å; Y83-I120 HydrophobicContact CE1-CG2 4.11Å; Y83-I120 WeakPolarHBondContact OH-CG1 3.27Å; Y83-A123 HydrophobicContact CD1-CB 4.12Å; Y83-A123 HydrophobicContact CD2-CB 3.64Å; Y83-A123 HydrophobicContact CE2-CB 4.27Å; Y83-A123 HydrophobicContact CG-CB 3.57Å; Y83-I124 HydrophobicContact CD1-CG1 3.87Å; Y83-I124 HydrophobicContact CE1-CD1 4.38Å; Y83-I124 HydrophobicContact CE1-CG1 3.81Å; Y83-Y127 VanDerWaalsContact C-CD2 3.41Å; Y83-Y127 WeakPolarHBondContact O-CD2 3.23Å
84S97.8Very high97.9Very high52 Ų5240.6 Ų40.636%0.36422%0.222SC..G310 helixtrans-55.5-30170.753.50000112.7D82 S86 A87 Y127D82-S84 VanDerWaalsContact CG-OG 3.3Å; D82-S84 PolarHBondContact O-N 2.99Å; D82-S84 VanDerWaalsContact O-N 3.14Å; D82-S84 WeakPolarHBondContact OD1-CB 3.24Å; D82-S84 PolarHBondContact OD1-N 2.94Å; D82-S84 PolarHBondContact OD1-OG 2.67Å; S84-S86 PolarHBondContact O-N 3.44Å; S84-A87 VanDerWaalsContact O-CB 3.29Å; S84-A87 WeakPolarHBondContact O-CB 3.15Å; S84-A87 PolarHBondContact O-N 3.41Å; S84-A87 VanDerWaalsContact O-N 3.12Å; S84-Y127 VanDerWaalsContact N-CE2 3.35Å
85V97.8Very high97.9Very high33 Ų3341.5 Ų41.520%0.223%0.227CC..G310 helixtrans-63.5-21173.3-53.30000112.7K22 A49 V51 D82 Y83K22-V85 WeakPolarHBondContact CE-O 3.47Å; K22-V85 PolarHBondContact NZ-O 2.79Å; A49-V85 WeakPolarHBondContact CB-O 3.32Å; V51-V85 HydrophobicContact CG2-CG2 3.7Å; D82-V85 WeakPolarHBondContact O-CG2 3.24Å; D82-V85 PolarHBondContact O-N 2.87Å; Y83-V85 PolarHBondContact O-N 3.37Å
86S98.1Very high98Very high0 Ų037.3 Ų37.30%020%0.199CC..G310 helixtrans-86.2-4.1178.177.60000113.9T24 Y83 S84 S89 S128T24-S86 WeakPolarHBondContact OG1-CA 3.13Å; T24-S86 WeakPolarHBondContact OG1-CB 3.47Å; Y83-S86 WeakPolarHBondContact O-CA 3.29Å; Y83-S86 VanDerWaalsContact O-CB 3.28Å; Y83-S86 WeakPolarHBondContact O-CB 3.39Å; Y83-S86 PolarHBondContact O-N 3.29Å; Y83-S86 PolarHBondContact O-OG 3.02Å; S84-S86 PolarHBondContact O-N 3.44Å; S86-S89 WeakPolarHBondContact O-CB 3.25Å; S86-S89 PolarHBondContact O-N 3.27Å; S86-S89 PolarHBondContact O-OG 3.49Å; S86-S128 PolarHBondContact O-OG 2.99Å
87A98.2Very high97.6Very high25 Ų2535.2 Ų35.221%0.20720%0.201CC..THydrogen-bonded Turntrans-55.3140.4-17300000113.3K22 S84 S89 Y127K22-A87 VanDerWaalsContact CD-O 3.25Å; K22-A87 WeakPolarHBondContact CD-O 3.33Å; K22-A87 WeakPolarHBondContact CE-O 3.33Å; K22-A87 PolarHBondContact NZ-O 3.44Å; S84-A87 VanDerWaalsContact O-CB 3.29Å; S84-A87 WeakPolarHBondContact O-CB 3.15Å; S84-A87 PolarHBondContact O-N 3.41Å; S84-A87 VanDerWaalsContact O-N 3.12Å; A87-S89 VanDerWaalsContact C-N 3.33Å; A87-S89 PolarHBondContact O-N 3.28Å; A87-Y127 WeakPolarHBondContact CA-O 3.3Å; A87-Y127 HydrophobicContact CB-CD1 4.22Å
88N97.6Very high97.1Very high101 Ų10135.7 Ų35.754%0.5421%0.207SC..THydrogen-bonded Turntrans64.227.8-179.4-54.5-43.9000115.2Y127 S128N88-Y127 PolarHBondContact N-O 2.95Å; N88-Y127 VanDerWaalsContact N-O 3.08Å; N88-S128 PolarHBondContact N-OG 3.14Å
89S98.6Very high96.3Very high5 Ų541.7 Ų41.74%0.03523%0.225CC..  trans-67.1133.2175.3-66.80000112T24 S86 A87 S128 C131T24-S89 PolarHBondContact OG1-OG 3.08Å; S86-S89 WeakPolarHBondContact O-CB 3.25Å; S86-S89 PolarHBondContact O-N 3.27Å; S86-S89 PolarHBondContact O-OG 3.49Å; A87-S89 VanDerWaalsContact C-N 3.33Å; A87-S89 PolarHBondContact O-N 3.28Å; S89-S128 WeakPolarHBondContact CB-OG 3.41Å; S89-S128 PolarHBondContact N-OG 2.8Å; S89-C131 WeakPolarHBondContact O-CB 3.35Å
90R98.3Very high95.3Very high112 Ų11246 Ų4642%0.42324%0.242SC..SBendtrans-74.9-34.1170.9-65.1-57-167.7176.2-2.1111.4Q20 K22 K132 L264Q20-R90 WeakPolarHBondContact O-CG 3.31Å; Q20-R90 PolarHBondContact O-NE 2.93Å; K22-R90 PolarHBondContact O-N 2.82Å; R90-K132 WeakPolarHBondContact O-CE 3.45Å; R90-K132 PolarHBondContact O-N 3.46Å; R90-K132 VanDerWaalsContact O-N 3.11Å; R90-K132 PolarHBondContact O-NZ 3.24Å; R90-K132 VanDerWaalsContact O-NZ 3.17Å; R90-L264 HydrophobicContact CB-CD2 3.9Å
91I98.6Very high94.6Very high0 Ų050.9 Ų50.90%026%0.261CS..EExtended strand (participates in β ladder)trans-142.9139.1176.3-174.8160.6000109.8I23 T24 I93 K132 L134 V260 I263 L264I23-I91 HydrophobicContact CB-CG2 4.21Å; I23-I91 HydrophobicContact CD1-CG2 4.14Å; I23-I91 HydrophobicContact CG1-CG2 3.64Å; I23-I91 HydrophobicContact CG2-CG2 4.07Å; T24-I91 PolarHBondContact N-O 2.81Å; I91-I93 HydrophobicContact CG1-CG1 4.45Å; I91-K132 CarbonylContact C-O 3.59Å; I91-K132 VanDerWaalsContact CA-O 3.31Å; I91-K132 WeakPolarHBondContact CA-O 3.47Å; I91-K132 HydrophobicContact CG1-CB 4.44Å; I91-L134 HydrophobicContact CD1-CB 4.25Å; I91-L134 HydrophobicContact CG1-CB 4.46Å; I91-V260 HydrophobicContact CD1-CG2 3.93Å; I91-V260 HydrophobicContact CG2-CG1 4.39Å; I91-I263 HydrophobicContact CD1-CB 4.48Å; I91-I263 HydrophobicContact CD1-CD1 3.73Å; I91-I263 HydrophobicContact CD1-CG2 4.3Å; I91-L264 HydrophobicContact CG2-CD1 4.19Å; I91-L264 HydrophobicContact CG2-CD2 4.03Å; I91-L264 HydrophobicContact CG2-CG 4.38Å
92V98.9Very high93.6Very high0 Ų055.3 Ų55.30%028%0.283CS..EExtended strand (participates in β ladder)trans-120.6123.2175.1-175.20000108.8T24 V26 I124 C131 K132 I133 L134T24-V92 HydrophobicContact CG2-CG1 4.07Å; T24-V92 CarbonylContact O-C 3.57Å; T24-V92 WeakPolarHBondContact O-CA 3.16Å; V26-V92 HydrophobicContact CG2-CG1 3.93Å; V92-I124 HydrophobicContact CB-CG2 4.02Å; V92-I124 HydrophobicContact CG1-CD1 3.72Å; V92-I124 HydrophobicContact CG1-CG1 4.14Å; V92-I124 HydrophobicContact CG1-CG2 3.98Å; V92-I124 HydrophobicContact CG2-CG2 3.81Å; V92-C131 HydrophobicContact CG2-CB 4.1Å; V92-K132 PolarHBondContact N-O 3.29Å; V92-I133 CarbonylContact O-C 3.6Å; V92-I133 WeakPolarHBondContact O-CA 2.93Å; V92-L134 PolarHBondContact O-N 2.96Å
93I98.9Very high92.8Very high0 Ų054.8 Ų54.80%030%0.299CS..EExtended strand (participates in β ladder)trans-103.6116.3-176.1-53.3171.3000107.8I23 T24 I25 V26 I39 I91 T95 L134 V136 V256 V260I23-I93 HydrophobicContact CG2-CD1 3.91Å; I23-I93 HydrophobicContact CG2-CG1 4.42Å; T24-I93 PolarHBondContact O-N 2.93Å; I25-I93 WeakPolarHBondContact CA-O 3.39Å; I25-I93 HydrophobicContact CG1-CB 4.27Å; I25-I93 HydrophobicContact CG1-CD1 4.16Å; V26-I93 PolarHBondContact N-O 2.68Å; I39-I93 HydrophobicContact CD1-CD1 3.42Å; I39-I93 VanDerWaalsContact CD1-CD1 3.42Å; I91-I93 HydrophobicContact CG1-CG1 4.45Å; I93-T95 HydrophobicContact CG2-CG2 3.9Å; I93-L134 CarbonylContact C-O 3.58Å; I93-L134 WeakPolarHBondContact CA-O 3.3Å; I93-L134 HydrophobicContact CG1-CB 4.44Å; I93-V136 HydrophobicContact CG2-CG2 3.74Å; I93-V256 HydrophobicContact CD1-CG1 3.92Å; I93-V256 HydrophobicContact CG2-CG1 3.96Å; I93-V260 HydrophobicContact CD1-CG2 3.73Å; I93-V260 HydrophobicContact CG1-CG2 4.36Å
94V98.8Very high92.1Very high0 Ų054.3 Ų54.30%030%0.299CS..EExtended strand (participates in β ladder)trans-100.3105.8-176.8-175.10000109.1M117 I121 I124 I133 L134 V136 S137V94-M117 HydrophobicContact CG1-CE 3.8Å; V94-M117 HydrophobicContact CG1-SD 3.82Å; V94-I121 HydrophobicContact CG2-CD1 4.17Å; V94-I124 HydrophobicContact CG2-CD1 4.18Å; V94-I133 HydrophobicContact CG2-CG2 3.83Å; V94-L134 PolarHBondContact N-O 3.47Å; V94-V136 WeakPolarHBondContact O-CB 3.44Å; V94-V136 PolarHBondContact O-N 3.5Å; V94-S137 PolarHBondContact O-N 3.12Å; V94-S137 VanDerWaalsContact O-N 3.13Å; V94-S137 PolarHBondContact O-OG 2.87Å
95T98.4Very high91.4Very high22 Ų2255.3 Ų55.314%0.13530%0.303CS..  trans-112.7-8.5177.175.70000112.6I25 V26 G27 V31 I93 V136 S137I25-T95 HydrophobicContact CG2-CG2 4.35Å; V26-T95 CarbonylContact O-C 3.58Å; V26-T95 WeakPolarHBondContact O-CA 3.46Å; V26-T95 PolarHBondContact O-N 2.74Å; V26-T95 PolarHBondContact O-OG1 2.83Å; G27-T95 PolarHBondContact O-OG1 3.2Å; G27-T95 VanDerWaalsContact O-OG1 3.04Å; V31-T95 HydrophobicContact CG1-CG2 4.09Å; I93-T95 HydrophobicContact CG2-CG2 3.9Å; T95-V136 HydrophobicContact CG2-CB 4.1Å; T95-V136 HydrophobicContact CG2-CG2 4.26Å; T95-S137 WeakPolarHBondContact CA-OG 3.36Å; T95-S137 PolarHBondContact O-OG 3.18Å
96A95.4Very high90.6Very high20 Ų2057.6 Ų57.617%0.16531%0.308CS..  trans-69.1131176.700000111.3V26 M117 I120 S137V26-A96 HydrophobicContact CG1-CB 4.07Å; V26-A96 PolarHBondContact O-N 3.44Å; A96-M117 VanDerWaalsContact O-CE 3.31Å; A96-M117 WeakPolarHBondContact O-CE 3.31Å; A96-I120 HydrophobicContact CB-CD1 3.78Å; A96-S137 VanDerWaalsContact C-OG 3.29Å; A96-S137 PolarHBondContact N-OG 2.8Å; A96-S137 WeakPolarHBondContact O-CB 3.47Å; A96-S137 PolarHBondContact O-OG 3.28Å
97G88.9Confident89.9Confident39 Ų3960.8 Ų60.840%0.40232%0.324SS..  trans-178.9156.4177.900000111.1N113G97-N113 WeakPolarHBondContact CA-OD1 3.18Å
98A88.1Confident89.4Confident19 Ų1963.5 Ų63.516%0.15734%0.335CS..PPolyproline II helixtrans-66.6146.2166.600000110.2L109 R112 N113 I116A98-L109 HydrophobicContact CB-CD1 4.07Å; A98-R112 HydrophobicContact CB-CB 4.41Å; A98-N113 PolarHBondContact N-OD1 3.4Å; A98-N113 PolarHBondContact O-ND2 2.98Å; A98-I116 HydrophobicContact CB-CD1 4.08Å
99R82.8Confident88.9Confident161 Ų16159.4 Ų59.461%0.60831%0.313SS*.PPolyproline II helixtrans-93.5150.6165.9-62.5-178.5-178.2-173.7-0.6108.8Q101R99-Q101 PolarHBondContact O-N 2.92Å
100Q77.1Confident88.5Confident118 Ų11859.2 Ų59.255%0.55131%0.312SS*.PPolyproline II helixtrans-59.6131.7173.8-158.1170.8-0.700110.1E104 L109Q100-E104 VanDerWaalsContact CA-OE2 3.31Å; Q100-E104 WeakPolarHBondContact CA-OE2 3.15Å; Q100-E104 HydrophobicContact CG-CB 4.16Å; Q100-E104 PolarHBondContact NE2-O 3Å; Q100-L109 HydrophobicContact CB-CD2 3.84Å; Q100-L109 HydrophobicContact CG-CD2 4.16Å
101Q81.1Confident88.2Confident120 Ų12056.5 Ų56.556%0.56130%0.304SS*.PPolyproline II helixtrans-90.5158.2171.9-65.9177.7-11.300110.5R99 G103 E104R99-Q101 PolarHBondContact O-N 2.92Å; Q101-G103 PolarHBondContact O-N 2.83Å; Q101-E104 HydrophobicContact CB-CB 4.12Å; Q101-E104 PolarHBondContact N-OE2 2.89Å; Q101-E104 VanDerWaalsContact O-CB 3.25Å; Q101-E104 WeakPolarHBondContact O-CB 3.18Å; Q101-E104 PolarHBondContact O-N 3.37Å
102E76.7Confident87.9Confident207 Ų20760.8 Ų60.897%0.96732%0.32SS*.THydrogen-bonded Turntrans-61.6127.2176.8-169.7173.6-177.200110.3E104E102-E104 VanDerWaalsContact C-N 3.28Å; E102-E104 PolarHBondContact O-N 3.13Å
103G80.2Confident87.7Confident81 Ų8160.8 Ų60.884%0.83532%0.32SS*.THydrogen-bonded Turntrans79.4-2.9-175.400000115.6Q101Q101-G103 PolarHBondContact O-N 2.83Å
104E84.6Confident87.4Confident26 Ų2660.8 Ų60.812%0.12132%0.32CS..  trans-75.2133.6178.1-174.5176.7-146.300111.4Q100 Q101 E102 D108 L109 R112Q100-E104 VanDerWaalsContact CA-OE2 3.31Å; Q100-E104 WeakPolarHBondContact CA-OE2 3.15Å; Q100-E104 HydrophobicContact CG-CB 4.16Å; Q100-E104 PolarHBondContact NE2-O 3Å; Q101-E104 HydrophobicContact CB-CB 4.12Å; Q101-E104 PolarHBondContact N-OE2 2.89Å; Q101-E104 VanDerWaalsContact O-CB 3.25Å; Q101-E104 WeakPolarHBondContact O-CB 3.18Å; Q101-E104 PolarHBondContact O-N 3.37Å; E102-E104 VanDerWaalsContact C-N 3.28Å; E102-E104 PolarHBondContact O-N 3.13Å; E104-D108 HydrophobicContact CG-CB 3.8Å; E104-L109 HydrophobicContact CG-CB 4.49Å; E104-R112 VanDerWaalsContact CD-NH1 3.26Å; E104-R112 WeakPolarHBondContact OE1-CD 3.46Å; E104-R112 IonicContact OE1-CZ 2.82Å; E104-R112 IonicContact OE1-NE 3.06Å; E104-R112 IonicContact OE1-NH1 3.78Å; E104-R112 PolarHBondContact OE1-NH1 3.17Å; E104-R112 IonicContact OE2-NH1 3.9Å; E104-R112 PolarHBondContact OE2-NH1 2.92Å
105T82.9Confident87.2Confident73 Ų7364.9 Ų64.945%0.44835%0.345SS..  trans-73.4156.9175.7780000111.2L107 D108 L109T105-L107 PolarHBondContact O-N 3.1Å; T105-D108 WeakPolarHBondContact CB-OD2 3.32Å; T105-D108 WeakPolarHBondContact CG2-OD2 3.49Å; T105-D108 PolarHBondContact N-OD2 3.38Å; T105-D108 PolarHBondContact O-N 2.89Å; T105-D108 PolarHBondContact OG1-N 3.12Å; T105-D108 VanDerWaalsContact OG1-N 3.16Å; T105-D108 PolarHBondContact OG1-OD2 3.19Å; T105-L109 PolarHBondContact O-N 2.8Å; T105-L109 VanDerWaalsContact O-N 3.17Å
106R80.3Confident87Confident81 Ų8166.2 Ų66.231%0.30635%0.351SS..Hα-helixtrans-60.3-35.1176.1-172.6169.6174.8171.6-1.1112.1V110 E192 I326R106-V110 WeakPolarHBondContact O-CG2 3.28Å; R106-V110 PolarHBondContact O-N 2.74Å; R106-V110 VanDerWaalsContact O-N 3.17Å; R106-E192 IonicContact CZ-OE1 3.35Å; R106-E192 IonicContact NH1-OE1 2.73Å; R106-E192 PolarHBondContact NH1-OE1 2.81Å; R106-E192 IonicContact NH2-OE1 2.74Å; R106-E192 PolarHBondContact NH2-OE1 3.34Å; R106-I326 HydrophobicContact CG-CD1 4.09Å
107L83.8Confident87.1Confident67 Ų6765.3 Ų65.335%0.35134%0.343SS..Hα-helixtrans-67.8-43.4178-176.563.2000111.5T105 L109 V110 Q111 I326 D329 L330T105-L107 PolarHBondContact O-N 3.1Å; L107-L109 PolarHBondContact O-N 3.09Å; L107-V110 PolarHBondContact O-N 2.93Å; L107-V110 VanDerWaalsContact O-N 3.16Å; L107-Q111 PolarHBondContact O-N 2.95Å; L107-I326 HydrophobicContact CD1-CG2 4.12Å; L107-D329 HydrophobicContact CD1-CB 4.49Å; L107-L330 HydrophobicContact CD1-CD2 4.17Å
108D86.8Confident87.5Confident82 Ų8267.2 Ų67.244%0.43934%0.341SS..Hα-helixtrans-61.5-44.3178.6-63.2-39.9000111.9E104 T105 V110 Q111 R112E104-D108 HydrophobicContact CG-CB 3.8Å; T105-D108 WeakPolarHBondContact CB-OD2 3.32Å; T105-D108 WeakPolarHBondContact CG2-OD2 3.49Å; T105-D108 PolarHBondContact N-OD2 3.38Å; T105-D108 PolarHBondContact O-N 2.89Å; T105-D108 PolarHBondContact OG1-N 3.12Å; T105-D108 VanDerWaalsContact OG1-N 3.16Å; T105-D108 PolarHBondContact OG1-OD2 3.19Å; D108-V110 VanDerWaalsContact C-N 3.31Å; D108-V110 PolarHBondContact O-N 3.21Å; D108-Q111 PolarHBondContact O-N 2.84Å; D108-R112 WeakPolarHBondContact O-CG 3.16Å; D108-R112 PolarHBondContact O-N 3.41Å
109L88.5Confident87.8Confident15 Ų1570.3 Ų70.38%0.07936%0.361CS..Hα-helixtrans-57.7-45.9174.5174.763.5000111.3A98 Q100 E104 T105 L107 R112 N113A98-L109 HydrophobicContact CB-CD1 4.07Å; Q100-L109 HydrophobicContact CB-CD2 3.84Å; Q100-L109 HydrophobicContact CG-CD2 4.16Å; E104-L109 HydrophobicContact CG-CB 4.49Å; T105-L109 PolarHBondContact O-N 2.8Å; T105-L109 VanDerWaalsContact O-N 3.17Å; L107-L109 PolarHBondContact O-N 3.09Å; L109-R112 PolarHBondContact O-N 3.2Å; L109-N113 PolarHBondContact O-N 3.09Å
110V90.5Very high88.5Confident0 Ų063 Ų630%033%0.334CS..Hα-helixtrans-63.1-43.6178.5178.40000110.3R106 L107 D108 R112 N113 V114 P139 I142 I146 I326 L330R106-V110 WeakPolarHBondContact O-CG2 3.28Å; R106-V110 PolarHBondContact O-N 2.74Å; R106-V110 VanDerWaalsContact O-N 3.17Å; L107-V110 PolarHBondContact O-N 2.93Å; L107-V110 VanDerWaalsContact O-N 3.16Å; D108-V110 VanDerWaalsContact C-N 3.31Å; D108-V110 PolarHBondContact O-N 3.21Å; V110-R112 VanDerWaalsContact C-N 3.34Å; V110-R112 PolarHBondContact O-N 3.17Å; V110-N113 CarbonylContact O-C 3.54Å; V110-N113 WeakPolarHBondContact O-CA 3.39Å; V110-N113 PolarHBondContact O-N 2.97Å; V110-V114 HydrophobicContact CG1-CG2 4.36Å; V110-V114 WeakPolarHBondContact O-CG2 3.43Å; V110-V114 PolarHBondContact O-N 3.29Å; V110-P139 HydrophobicContact CG2-CG 3.45Å; V110-P139 VanDerWaalsContact CG2-CG 3.45Å; V110-I142 HydrophobicContact CG1-CG2 3.79Å; V110-I142 HydrophobicContact CG2-CD1 4.35Å; V110-I146 HydrophobicContact CG1-CD1 3.92Å; V110-I326 HydrophobicContact CG2-CG2 4.28Å; V110-L330 HydrophobicContact CB-CD2 4.22Å; V110-L330 HydrophobicContact CG1-CD1 4.31Å; V110-L330 HydrophobicContact CG1-CD2 3.39Å; V110-L330 HydrophobicContact CG1-CG 4.48Å
111Q91.3Very high89.5Confident56 Ų5657.4 Ų57.426%0.26231%0.308SS..Hα-helixtrans-64.3-36.8-179.5-16861.147.200112.6L107 D108 V114 T115 V331L107-Q111 PolarHBondContact O-N 2.95Å; D108-Q111 PolarHBondContact O-N 2.84Å; Q111-V114 WeakPolarHBondContact O-CB 3.47Å; Q111-V114 PolarHBondContact O-N 2.74Å; Q111-T115 PolarHBondContact O-N 2.81Å; Q111-T115 VanDerWaalsContact O-N 3.13Å; Q111-T115 PolarHBondContact O-OG1 3.31Å; Q111-T115 VanDerWaalsContact O-OG1 3.12Å; Q111-V331 PolarHBondContact NE2-O 2.94Å
112R92.8Very high90.3Very high89 Ų8954.8 Ų54.834%0.33630%0.302SS..Hα-helixtrans-63-43.9170.7-72.2169.665.3-158.8-0.2111.2A98 E104 D108 L109 V110 V114 T115 I116A98-R112 HydrophobicContact CB-CB 4.41Å; E104-R112 VanDerWaalsContact CD-NH1 3.26Å; E104-R112 WeakPolarHBondContact OE1-CD 3.46Å; E104-R112 IonicContact OE1-CZ 2.82Å; E104-R112 IonicContact OE1-NE 3.06Å; E104-R112 IonicContact OE1-NH1 3.78Å; E104-R112 PolarHBondContact OE1-NH1 3.17Å; E104-R112 IonicContact OE2-NH1 3.9Å; E104-R112 PolarHBondContact OE2-NH1 2.92Å; D108-R112 WeakPolarHBondContact O-CG 3.16Å; D108-R112 PolarHBondContact O-N 3.41Å; L109-R112 PolarHBondContact O-N 3.2Å; V110-R112 VanDerWaalsContact C-N 3.34Å; V110-R112 PolarHBondContact O-N 3.17Å; R112-V114 VanDerWaalsContact C-N 3.34Å; R112-V114 PolarHBondContact O-N 3.22Å; R112-T115 WeakPolarHBondContact O-CB 3.47Å; R112-T115 PolarHBondContact O-N 2.9Å; R112-I116 WeakPolarHBondContact O-CG1 3.48Å; R112-I116 PolarHBondContact O-N 3.34Å
113N93Very high91.4Very high0 Ų046.2 Ų46.20%027%0.266CS..Hα-helixtrans-67.8-31.7176.7-77-30.2000112.8G97 A98 L109 V110 T115 I116 M117 N138 L143G97-N113 WeakPolarHBondContact CA-OD1 3.18Å; A98-N113 PolarHBondContact N-OD1 3.4Å; A98-N113 PolarHBondContact O-ND2 2.98Å; L109-N113 PolarHBondContact O-N 3.09Å; V110-N113 CarbonylContact O-C 3.54Å; V110-N113 WeakPolarHBondContact O-CA 3.39Å; V110-N113 PolarHBondContact O-N 2.97Å; N113-T115 VanDerWaalsContact C-N 3.32Å; N113-T115 PolarHBondContact O-N 3.33Å; N113-I116 PolarHBondContact O-N 2.83Å; N113-M117 VanDerWaalsContact O-CG 3.25Å; N113-M117 WeakPolarHBondContact O-CG 3.47Å; N113-M117 PolarHBondContact O-N 3.46Å; N113-N138 PolarHBondContact ND2-O 2.52Å; N113-L143 HydrophobicContact CB-CD1 4Å; N113-L143 HydrophobicContact CB-CD2 3.55Å; N113-L143 HydrophobicContact CB-CG 4.39Å
114V93.6Very high92.2Very high0 Ų042.3 Ų42.30%023%0.226CC..Hα-helixtrans-57.1-48.4168.7171.60000110.1V110 Q111 R112 I116 M117 K118 I146 L330V110-V114 HydrophobicContact CG1-CG2 4.36Å; V110-V114 WeakPolarHBondContact O-CG2 3.43Å; V110-V114 PolarHBondContact O-N 3.29Å; Q111-V114 WeakPolarHBondContact O-CB 3.47Å; Q111-V114 PolarHBondContact O-N 2.74Å; R112-V114 VanDerWaalsContact C-N 3.34Å; R112-V114 PolarHBondContact O-N 3.22Å; V114-I116 VanDerWaalsContact C-N 3.31Å; V114-I116 PolarHBondContact O-N 3.07Å; V114-M117 PolarHBondContact O-N 2.85Å; V114-M117 VanDerWaalsContact O-N 3.17Å; V114-K118 HydrophobicContact CG1-CD 4.24Å; V114-K118 HydrophobicContact CG1-CG 4.47Å; V114-K118 WeakPolarHBondContact O-CG 3.45Å; V114-K118 PolarHBondContact O-N 2.84Å; V114-I146 HydrophobicContact CG2-CD1 3.38Å; V114-I146 HydrophobicContact CG2-CG1 4.02Å; V114-I146 HydrophobicContact CG2-CG2 4.25Å; V114-L330 HydrophobicContact CG2-CD2 4.46Å
115T93.8Very high92.9Very high87 Ų8742.6 Ų42.653%0.53423%0.229SC..Hα-helixtrans-61.2-40.9179.4-54.50000111.7Q111 R112 N113 K118 S119Q111-T115 PolarHBondContact O-N 2.81Å; Q111-T115 VanDerWaalsContact O-N 3.13Å; Q111-T115 PolarHBondContact O-OG1 3.31Å; Q111-T115 VanDerWaalsContact O-OG1 3.12Å; R112-T115 WeakPolarHBondContact O-CB 3.47Å; R112-T115 PolarHBondContact O-N 2.9Å; N113-T115 VanDerWaalsContact C-N 3.32Å; N113-T115 PolarHBondContact O-N 3.33Å; T115-K118 PolarHBondContact O-N 2.94Å; T115-S119 PolarHBondContact O-N 3.35Å
116I95.3Very high93.6Very high50 Ų5045.8 Ų45.826%0.25624%0.239SC..Hα-helixtrans-63.8-47.3173.6-67.7168000110.5A98 R112 N113 V114 K118 S119 I120A98-I116 HydrophobicContact CB-CD1 4.08Å; R112-I116 WeakPolarHBondContact O-CG1 3.48Å; R112-I116 PolarHBondContact O-N 3.34Å; N113-I116 PolarHBondContact O-N 2.83Å; V114-I116 VanDerWaalsContact C-N 3.31Å; V114-I116 PolarHBondContact O-N 3.07Å; I116-K118 VanDerWaalsContact C-N 3.29Å; I116-K118 PolarHBondContact O-N 2.83Å; I116-S119 PolarHBondContact O-N 2.93Å; I116-S119 VanDerWaalsContact O-N 3.08Å; I116-S119 PolarHBondContact O-OG 3.21Å; I116-I120 HydrophobicContact CG2-CD1 3.45Å; I116-I120 VanDerWaalsContact CG2-CD1 3.45Å; I116-I120 HydrophobicContact CG2-CG1 4.23Å; I116-I120 VanDerWaalsContact O-CG1 3.26Å; I116-I120 WeakPolarHBondContact O-CG1 3.44Å; I116-I120 PolarHBondContact O-N 3.11Å; I116-I120 VanDerWaalsContact O-N 3.15Å
117M97.3Very high94.5Very high0 Ų045.3 Ų45.30%024%0.237CC..Hα-helixtrans-63.3-34.8179.7-66.2-54.1154.600112.4V94 A96 N113 V114 S119 I120 I121 L143 I146 V147 I150V94-M117 HydrophobicContact CG1-CE 3.8Å; V94-M117 HydrophobicContact CG1-SD 3.82Å; A96-M117 VanDerWaalsContact O-CE 3.31Å; A96-M117 WeakPolarHBondContact O-CE 3.31Å; N113-M117 VanDerWaalsContact O-CG 3.25Å; N113-M117 WeakPolarHBondContact O-CG 3.47Å; N113-M117 PolarHBondContact O-N 3.46Å; V114-M117 PolarHBondContact O-N 2.85Å; V114-M117 VanDerWaalsContact O-N 3.17Å; M117-S119 VanDerWaalsContact C-N 3.27Å; M117-S119 PolarHBondContact O-N 3.34Å; M117-I120 PolarHBondContact O-N 3.49Å; M117-I121 HydrophobicContact CB-CG1 4.18Å; M117-I121 WeakPolarHBondContact O-CB 3.3Å; M117-I121 VanDerWaalsContact O-CG1 3.29Å; M117-I121 WeakPolarHBondContact O-CG1 3.47Å; M117-I121 PolarHBondContact O-N 3.12Å; M117-I121 HydrophobicContact SD-CD1 4.36Å; M117-I121 HydrophobicContact SD-CG1 4.36Å; M117-L143 HydrophobicContact CE-CD1 4.24Å; M117-L143 HydrophobicContact CG-CD2 4.15Å; M117-I146 HydrophobicContact CB-CG2 4.11Å; M117-I146 HydrophobicContact CG-CG2 4.46Å; M117-V147 HydrophobicContact CG-CG2 4.07Å; M117-V147 HydrophobicContact SD-CG2 3.84Å; M117-I150 HydrophobicContact CB-CD1 3.94Å
118K96.2Very high95.2Very high79 Ų7942.2 Ų42.234%0.34322%0.221SC..Hα-helixtrans-62-31.1173.9-76174.9173.2-176.80113.4V114 T115 I116 P122 I150 F332V114-K118 HydrophobicContact CG1-CD 4.24Å; V114-K118 HydrophobicContact CG1-CG 4.47Å; V114-K118 WeakPolarHBondContact O-CG 3.45Å; V114-K118 PolarHBondContact O-N 2.84Å; T115-K118 PolarHBondContact O-N 2.94Å; I116-K118 VanDerWaalsContact C-N 3.29Å; I116-K118 PolarHBondContact O-N 2.83Å; K118-P122 VanDerWaalsContact O-CD 3.23Å; K118-P122 WeakPolarHBondContact O-CD 3.49Å; K118-P122 WeakPolarHBondContact O-CG 3.5Å; K118-I150 HydrophobicContact CG-CD1 3.75Å; K118-I150 HydrophobicContact CG-CG1 4.48Å; K118-F332 WeakPolarHBondContact CE-OXT 3.42Å; K118-F332 PolarHBondContact NZ-O 2.91Å; K118-F332 PolarHBondContact NZ-OXT 2.79Å
119S95.6Very high95.7Very high84 Ų8441.4 Ų41.459%0.58722%0.221SC*.Hα-helixtrans-84.4-23.8177.271.70000113.1T115 I116 M117T115-S119 PolarHBondContact O-N 3.35Å; I116-S119 PolarHBondContact O-N 2.93Å; I116-S119 VanDerWaalsContact O-N 3.08Å; I116-S119 PolarHBondContact O-OG 3.21Å; M117-S119 VanDerWaalsContact C-N 3.27Å; M117-S119 PolarHBondContact O-N 3.34Å
120I97.4Very high96.1Very high8 Ų846.6 Ų46.64%0.04125%0.248CC..Hα-helixtrans-91.7-54.8-175.8-63.7179.8000111.9V26 Y83 A96 I116 M117 A123 I124V26-I120 HydrophobicContact CG1-CD1 4.05Å; V26-I120 HydrophobicContact CG1-CG2 3.92Å; Y83-I120 HydrophobicContact CE1-CG2 4.11Å; Y83-I120 WeakPolarHBondContact OH-CG1 3.27Å; A96-I120 HydrophobicContact CB-CD1 3.78Å; I116-I120 HydrophobicContact CG2-CD1 3.45Å; I116-I120 VanDerWaalsContact CG2-CD1 3.45Å; I116-I120 HydrophobicContact CG2-CG1 4.23Å; I116-I120 VanDerWaalsContact O-CG1 3.26Å; I116-I120 WeakPolarHBondContact O-CG1 3.44Å; I116-I120 PolarHBondContact O-N 3.11Å; I116-I120 VanDerWaalsContact O-N 3.15Å; M117-I120 PolarHBondContact O-N 3.49Å; I120-A123 PolarHBondContact O-N 2.66Å; I120-I124 HydrophobicContact CG2-CD1 3.43Å; I120-I124 VanDerWaalsContact CG2-CD1 3.43Å; I120-I124 HydrophobicContact CG2-CG1 4.25Å; I120-I124 PolarHBondContact O-N 3.2Å
121I98.4Very high96.5Very high0 Ų046.6 Ų46.60%025%0.248CC..Hα-helixtrans-66.6-43.3-163.1-61.4-55.8000113.6V94 M117 A123 I124 V125 I133 V147 I150V94-I121 HydrophobicContact CG2-CD1 4.17Å; M117-I121 HydrophobicContact CB-CG1 4.18Å; M117-I121 WeakPolarHBondContact O-CB 3.3Å; M117-I121 VanDerWaalsContact O-CG1 3.29Å; M117-I121 WeakPolarHBondContact O-CG1 3.47Å; M117-I121 PolarHBondContact O-N 3.12Å; M117-I121 HydrophobicContact SD-CD1 4.36Å; M117-I121 HydrophobicContact SD-CG1 4.36Å; I121-A123 VanDerWaalsContact C-N 3.28Å; I121-A123 PolarHBondContact O-N 3.15Å; I121-I124 HydrophobicContact CD1-CD1 4.09Å; I121-I124 PolarHBondContact O-N 2.87Å; I121-V125 HydrophobicContact CG2-CG2 4.29Å; I121-V125 WeakPolarHBondContact O-CG2 3.42Å; I121-V125 PolarHBondContact O-N 2.91Å; I121-I133 HydrophobicContact CG2-CD1 4.46Å; I121-V147 HydrophobicContact CD1-CB 4.36Å; I121-V147 HydrophobicContact CD1-CG1 3.74Å; I121-V147 HydrophobicContact CD1-CG2 3.82Å; I121-V147 HydrophobicContact CG1-CB 4.42Å; I121-V147 HydrophobicContact CG1-CG1 4.14Å; I121-V147 HydrophobicContact CG1-CG2 3.94Å; I121-V147 HydrophobicContact CG2-CG1 4.44Å; I121-I150 HydrophobicContact CB-CB 4.44Å; I121-I150 HydrophobicContact CB-CG2 3.85Å; I121-I150 HydrophobicContact CG2-CB 4.26Å; I121-I150 HydrophobicContact CG2-CG2 3.93Å
122P98.4Very high96.8Very high66 Ų6644.8 Ų44.843%0.42924%0.24SC..Hα-helixtrans-59.3-38.6178.8-26.236.7000113.1K118 V125 H126 I150K118-P122 VanDerWaalsContact O-CD 3.23Å; K118-P122 WeakPolarHBondContact O-CD 3.49Å; K118-P122 WeakPolarHBondContact O-CG 3.5Å; P122-V125 PolarHBondContact O-N 3.43Å; P122-H126 WeakPolarHBondContact O-CB 3.5Å; P122-H126 PolarHBondContact O-N 3.46Å; P122-I150 HydrophobicContact CG-CG2 3.9Å
123A98.3Very high97.1Very high26 Ų2640.5 Ų40.522%0.21522%0.224CC..Hα-helixtrans-68.2-40.817800000111.8Y83 I120 I121 V125 H126 Y127Y83-A123 HydrophobicContact CD1-CB 4.12Å; Y83-A123 HydrophobicContact CD2-CB 3.64Å; Y83-A123 HydrophobicContact CE2-CB 4.27Å; Y83-A123 HydrophobicContact CG-CB 3.57Å; I120-A123 PolarHBondContact O-N 2.66Å; I121-A123 VanDerWaalsContact C-N 3.28Å; I121-A123 PolarHBondContact O-N 3.15Å; A123-V125 PolarHBondContact O-N 3.25Å; A123-H126 WeakPolarHBondContact O-CB 3.41Å; A123-H126 PolarHBondContact O-N 3.19Å; A123-Y127 VanDerWaalsContact O-CD2 3.24Å; A123-Y127 WeakPolarHBondContact O-CD2 3.23Å; A123-Y127 PolarHBondContact O-N 3.26Å; A123-Y127 VanDerWaalsContact O-N 3.12Å
124I98.4Very high97.4Very high0 Ų040.5 Ų40.50%022%0.224CC..Hα-helixtrans-58-49.4173.5-69.3167.9000110.9V26 Y83 V92 V94 I120 I121 H126 Y127 S128 I133V26-I124 HydrophobicContact CG2-CD1 3.99Å; Y83-I124 HydrophobicContact CD1-CG1 3.87Å; Y83-I124 HydrophobicContact CE1-CD1 4.38Å; Y83-I124 HydrophobicContact CE1-CG1 3.81Å; V92-I124 HydrophobicContact CB-CG2 4.02Å; V92-I124 HydrophobicContact CG1-CD1 3.72Å; V92-I124 HydrophobicContact CG1-CG1 4.14Å; V92-I124 HydrophobicContact CG1-CG2 3.98Å; V92-I124 HydrophobicContact CG2-CG2 3.81Å; V94-I124 HydrophobicContact CG2-CD1 4.18Å; I120-I124 HydrophobicContact CG2-CD1 3.43Å; I120-I124 VanDerWaalsContact CG2-CD1 3.43Å; I120-I124 HydrophobicContact CG2-CG1 4.25Å; I120-I124 PolarHBondContact O-N 3.2Å; I121-I124 HydrophobicContact CD1-CD1 4.09Å; I121-I124 PolarHBondContact O-N 2.87Å; I124-H126 VanDerWaalsContact C-N 3.3Å; I124-H126 PolarHBondContact O-N 3.1Å; I124-Y127 PolarHBondContact O-N 3.29Å; I124-S128 WeakPolarHBondContact O-CA 3.37Å; I124-S128 PolarHBondContact O-N 2.62Å; I124-I133 HydrophobicContact CG2-CD1 4.41Å
125V98.5Very high97.7Very high31 Ų3140.5 Ų40.519%0.18822%0.224CC..Hα-helixtrans-65.9-35.6-178.1176.10000111.1I121 P122 A123 S128 P129 I133 L153I121-V125 HydrophobicContact CG2-CG2 4.29Å; I121-V125 WeakPolarHBondContact O-CG2 3.42Å; I121-V125 PolarHBondContact O-N 2.91Å; P122-V125 PolarHBondContact O-N 3.43Å; A123-V125 PolarHBondContact O-N 3.25Å; V125-S128 CarbonylContact O-C 3.48Å; V125-P129 VanDerWaalsContact O-CA 3.24Å; V125-P129 WeakPolarHBondContact O-CA 3.37Å; V125-P129 VanDerWaalsContact O-N 3.16Å; V125-I133 HydrophobicContact CG2-CD1 4.43Å; V125-L153 HydrophobicContact CG1-CD2 4.37Å; V125-L153 HydrophobicContact CG2-CD1 4.26Å; V125-L153 HydrophobicContact CG2-CG 4.29Å
126H98.4Very high97.9Very high140 Ų14036.8 Ų36.865%0.64820%0.201SC*.Hα-helixtrans-59.5-48.3174.5178.372.5000112.3P122 A123 I124P122-H126 WeakPolarHBondContact O-CB 3.5Å; P122-H126 PolarHBondContact O-N 3.46Å; A123-H126 WeakPolarHBondContact O-CB 3.41Å; A123-H126 PolarHBondContact O-N 3.19Å; I124-H126 VanDerWaalsContact C-N 3.3Å; I124-H126 PolarHBondContact O-N 3.1Å
127Y98.6Very high98Very high71 Ų7134.7 Ų34.728%0.27819%0.19SC..Hα-helixtrans-86.2-20.1-176.2-72.9-66.8000114.2Y83 S84 A87 N88 A123 I124Y83-Y127 VanDerWaalsContact C-CD2 3.41Å; Y83-Y127 WeakPolarHBondContact O-CD2 3.23Å; S84-Y127 VanDerWaalsContact N-CE2 3.35Å; A87-Y127 WeakPolarHBondContact CA-O 3.3Å; A87-Y127 HydrophobicContact CB-CD1 4.22Å; N88-Y127 PolarHBondContact N-O 2.95Å; N88-Y127 VanDerWaalsContact N-O 3.08Å; A123-Y127 VanDerWaalsContact O-CD2 3.24Å; A123-Y127 WeakPolarHBondContact O-CD2 3.23Å; A123-Y127 PolarHBondContact O-N 3.26Å; A123-Y127 VanDerWaalsContact O-N 3.12Å; I124-Y127 PolarHBondContact O-N 3.29Å
128S98.3Very high97.8Very high2 Ų238.4 Ų38.41%0.01421%0.211CC..  trans-140.765.7-178.6-60.80000111.7S86 N88 S89 I124 V125 D130 C131S86-S128 PolarHBondContact O-OG 2.99Å; N88-S128 PolarHBondContact N-OG 3.14Å; S89-S128 WeakPolarHBondContact CB-OG 3.41Å; S89-S128 PolarHBondContact N-OG 2.8Å; I124-S128 WeakPolarHBondContact O-CA 3.37Å; I124-S128 PolarHBondContact O-N 2.62Å; V125-S128 CarbonylContact O-C 3.48Å; S128-D130 PolarHBondContact O-N 3.14Å; S128-D130 VanDerWaalsContact O-N 3.11Å; S128-C131 WeakPolarHBondContact O-CB 3.38Å; S128-C131 PolarHBondContact O-N 2.98Å; S128-C131 VanDerWaalsContact O-N 3.12Å; S128-C131 PolarHBondContact O-SG 3.14Å
129P97.8Very high97.7Very high66 Ų6635.4 Ų35.443%0.42920%0.199SC..THydrogen-bonded Turntrans-63.4-22.1-173.425.5-35.6000113.8V125 R157V125-P129 VanDerWaalsContact O-CA 3.24Å; V125-P129 WeakPolarHBondContact O-CA 3.37Å; V125-P129 VanDerWaalsContact O-N 3.16Å; P129-R157 PolarHBondContact O-NH1 3.5Å
130D96.2Very high97.8Very high123 Ų12331.4 Ų31.466%0.65817%0.171SC*.THydrogen-bonded Turntrans-98.74.4-179.1-64.5-40.8000114.2S128 R157S128-D130 PolarHBondContact O-N 3.14Å; S128-D130 VanDerWaalsContact O-N 3.11Å; D130-R157 VanDerWaalsContact C-NH1 3.32Å; D130-R157 VanDerWaalsContact CA-NH1 3.27Å
131C98.4Very high97.8Very high0 Ų031.2 Ų31.20%017%0.17CC..  trans-68.5163.6-178.174.40000112.5S89 V92 S128 R157S89-C131 WeakPolarHBondContact O-CB 3.35Å; V92-C131 HydrophobicContact CG2-CB 4.1Å; S128-C131 WeakPolarHBondContact O-CB 3.38Å; S128-C131 PolarHBondContact O-N 2.98Å; S128-C131 VanDerWaalsContact O-N 3.12Å; S128-C131 PolarHBondContact O-SG 3.14Å; C131-R157 PolarHBondContact O-NH1 2.89Å
132K98.8Very high97.7Very high18 Ų1831.2 Ų31.28%0.07817%0.17CC..EExtended strand (participates in β ladder)trans-95142.1155.3-75.865.757.7-177.70107.7R90 I91 V92 R157 I263 R297R90-K132 WeakPolarHBondContact O-CE 3.45Å; R90-K132 PolarHBondContact O-N 3.46Å; R90-K132 VanDerWaalsContact O-N 3.11Å; R90-K132 PolarHBondContact O-NZ 3.24Å; R90-K132 VanDerWaalsContact O-NZ 3.17Å; I91-K132 CarbonylContact C-O 3.59Å; I91-K132 VanDerWaalsContact CA-O 3.31Å; I91-K132 WeakPolarHBondContact CA-O 3.47Å; I91-K132 HydrophobicContact CG1-CB 4.44Å; V92-K132 PolarHBondContact N-O 3.29Å; K132-R157 CarbonylContact C-O 3.57Å; K132-R157 WeakPolarHBondContact CA-O 3.44Å; K132-R157 HydrophobicContact CD-CG 4.47Å; K132-R157 HydrophobicContact CG-CB 4.4Å; K132-R157 HydrophobicContact CG-CG 4.44Å; K132-I263 HydrophobicContact CG-CG2 4.35Å; K132-R297 WeakPolarHBondContact CD-O 3.46Å; K132-R297 WeakPolarHBondContact CE-O 3.37Å; K132-R297 PolarHBondContact NZ-O 3.23Å
133I98.9Very high97.7Very high0 Ų028.1 Ų28.10%015%0.15CC..EExtended strand (participates in β ladder)trans-105.6120.2173-54.9-179.7000108.1V92 V94 I121 I124 V125 V135 V147 L153 R157 I159V92-I133 CarbonylContact O-C 3.6Å; V92-I133 WeakPolarHBondContact O-CA 2.93Å; V94-I133 HydrophobicContact CG2-CG2 3.83Å; I121-I133 HydrophobicContact CG2-CD1 4.46Å; I124-I133 HydrophobicContact CG2-CD1 4.41Å; V125-I133 HydrophobicContact CG2-CD1 4.43Å; I133-V135 HydrophobicContact CG2-CG2 4.12Å; I133-V147 HydrophobicContact CB-CG1 4.39Å; I133-V147 HydrophobicContact CD1-CG1 4.11Å; I133-V147 HydrophobicContact CG2-CG1 3.82Å; I133-L153 HydrophobicContact CD1-CD1 3.66Å; I133-L153 HydrophobicContact CG1-CD1 3.97Å; I133-R157 PolarHBondContact N-O 3.26Å; I133-I159 PolarHBondContact O-N 3.13Å
134L98.9Very high97.7Very high0 Ų026.9 Ų26.90%014%0.14CC..EExtended strand (participates in β ladder)trans-104106.1172.9-18059.2000109I91 V92 I93 V94 V136 I159 V256 L259 V260I91-L134 HydrophobicContact CD1-CB 4.25Å; I91-L134 HydrophobicContact CG1-CB 4.46Å; V92-L134 PolarHBondContact O-N 2.96Å; I93-L134 CarbonylContact C-O 3.58Å; I93-L134 WeakPolarHBondContact CA-O 3.3Å; I93-L134 HydrophobicContact CG1-CB 4.44Å; V94-L134 PolarHBondContact N-O 3.47Å; L134-V136 HydrophobicContact CG-CG2 4.44Å; L134-I159 CarbonylContact C-O 3.47Å; L134-I159 VanDerWaalsContact CA-O 3.3Å; L134-I159 WeakPolarHBondContact CA-O 3.4Å; L134-I159 HydrophobicContact CD1-CB 4.22Å; L134-I159 HydrophobicContact CD1-CG2 4.08Å; L134-V256 HydrophobicContact CD2-CG1 3.86Å; L134-L259 HydrophobicContact CD1-CD1 4.05Å; L134-L259 HydrophobicContact CD2-CB 4.23Å; L134-L259 HydrophobicContact CD2-CD1 4.45Å; L134-V260 HydrophobicContact CD2-CG2 3.89Å
135V98.9Very high97.7Very high0 Ų028.1 Ų28.10%014%0.144CC..EExtended strand (participates in β ladder)trans-85.1128.2-179.8-172.10000109.2I133 V140 L143 V147 I159 G160 S161I133-V135 HydrophobicContact CG2-CG2 4.12Å; V135-V140 HydrophobicContact CB-CG2 4.49Å; V135-V140 HydrophobicContact CG1-CG2 4.34Å; V135-V140 WeakPolarHBondContact O-CG2 3.18Å; V135-L143 HydrophobicContact CG1-CB 4Å; V135-V147 HydrophobicContact CG2-CB 3.95Å; V135-V147 HydrophobicContact CG2-CG1 3.95Å; V135-V147 HydrophobicContact CG2-CG2 3.85Å; V135-I159 PolarHBondContact N-O 3.48Å; V135-G160 CarbonylContact O-C 3.55Å; V135-G160 WeakPolarHBondContact O-CA 3.41Å; V135-S161 PolarHBondContact O-N 3.21Å
136V98.5Very high97.7Very high8 Ų826.6 Ų26.65%0.04814%0.135CC..  trans-122.7-25.5178.3-172.10000110.7V31 I93 V94 T95 L134 I252 V256V31-V136 HydrophobicContact CG1-CG1 3.82Å; I93-V136 HydrophobicContact CG2-CG2 3.74Å; V94-V136 WeakPolarHBondContact O-CB 3.44Å; V94-V136 PolarHBondContact O-N 3.5Å; T95-V136 HydrophobicContact CG2-CB 4.1Å; T95-V136 HydrophobicContact CG2-CG2 4.26Å; L134-V136 HydrophobicContact CG-CG2 4.44Å; V136-I252 HydrophobicContact CG1-CD1 4.06Å; V136-I252 HydrophobicContact CG1-CG1 3.74Å; V136-V256 HydrophobicContact CG1-CG2 4.16Å; V136-V256 HydrophobicContact CG2-CG2 3.63Å
137S96.8Very high97.7Very high6 Ų620 Ų204%0.04211%0.105CC..SBendtrans-53.8141.5175.2-55.10000111.8V94 T95 A96 V140 L143V94-S137 PolarHBondContact O-N 3.12Å; V94-S137 VanDerWaalsContact O-N 3.13Å; V94-S137 PolarHBondContact O-OG 2.87Å; T95-S137 WeakPolarHBondContact CA-OG 3.36Å; T95-S137 PolarHBondContact O-OG 3.18Å; A96-S137 VanDerWaalsContact C-OG 3.29Å; A96-S137 PolarHBondContact N-OG 2.8Å; A96-S137 WeakPolarHBondContact O-CB 3.47Å; A96-S137 PolarHBondContact O-OG 3.28Å; S137-V140 WeakPolarHBondContact O-CA 3.47Å; S137-V140 PolarHBondContact O-N 3.29Å; S137-L143 WeakPolarHBondContact O-CD1 3.42Å
138N93.4Very high97.7Very high79 Ų7918.5 Ų18.542%0.42210%0.099SC..SBendtrans-100.1149.6-175.8-86.9-41.4000113.9N113 V140 L143 H193N113-N138 PolarHBondContact ND2-O 2.52Å; N138-V140 PolarHBondContact OD1-N 3.33Å; N138-V140 VanDerWaalsContact OD1-N 3.11Å; N138-L143 VanDerWaalsContact C-CD1 3.41Å; N138-L143 VanDerWaalsContact O-CD1 3.24Å; N138-L143 WeakPolarHBondContact O-CD1 3.4Å; N138-H193 PolarHBondContact OD1-CD2 2.64Å
139P94.6Very high97.6Very high15 Ų1522.2 Ų22.210%0.09712%0.115CC..SBendcis-74.6119.3-2.928.1-31.4000111.7V110 D141 I142 L143V110-P139 HydrophobicContact CG2-CG 3.45Å; V110-P139 VanDerWaalsContact CG2-CG 3.45Å; P139-D141 PolarHBondContact O-N 2.87Å; P139-I142 HydrophobicContact CG-CB 4.24Å; P139-I142 HydrophobicContact CG-CD1 4.09Å; P139-I142 PolarHBondContact O-N 3.39Å; P139-L143 WeakPolarHBondContact O-CB 3.46Å; P139-L143 WeakPolarHBondContact O-CG 3.48Å; P139-L143 PolarHBondContact O-N 2.92Å
140V97.3Very high97.6Very high0 Ų021 Ų210%010%0.104CC..Hα-helixtrans-64.1-37.2-161.766.40000113.4V135 S137 N138 L143 T144 H193V135-V140 HydrophobicContact CB-CG2 4.49Å; V135-V140 HydrophobicContact CG1-CG2 4.34Å; V135-V140 WeakPolarHBondContact O-CG2 3.18Å; S137-V140 WeakPolarHBondContact O-CA 3.47Å; S137-V140 PolarHBondContact O-N 3.29Å; N138-V140 PolarHBondContact OD1-N 3.33Å; N138-V140 VanDerWaalsContact OD1-N 3.11Å; V140-L143 PolarHBondContact O-N 3.17Å; V140-T144 WeakPolarHBondContact O-CB 3.42Å; V140-T144 PolarHBondContact O-N 3.36Å; V140-T144 PolarHBondContact O-OG1 3.31Å; V140-H193 HydrophobicContact CG1-CB 3.58Å
141D98.1Very high97.7Very high4 Ų415.7 Ų15.72%0.0218%0.076CC..Hα-helixtrans-65.1-48.7-179.4-61.7-63.2000111.8P139 T144 Y145 E192 H193 S274 F288 L323P139-D141 PolarHBondContact O-N 2.87Å; D141-T144 PolarHBondContact O-N 3.18Å; D141-Y145 PolarHBondContact O-N 3.49Å; D141-E192 WeakPolarHBondContact OD2-CA 3.34Å; D141-H193 PolarHBondContact OD2-N 3.1Å; D141-S274 WeakPolarHBondContact CA-OG 3.45Å; D141-S274 WeakPolarHBondContact OD1-CB 3.28Å; D141-S274 PolarHBondContact OD1-OG 2.9Å; D141-F288 WeakPolarHBondContact CB-O 3.05Å; D141-F288 WeakPolarHBondContact O-CB 3.41Å; D141-L323 HydrophobicContact CB-CD1 3.42Å; D141-L323 VanDerWaalsContact CB-CD1 3.42Å
142I96.9Very high97.7Very high1 Ų118.9 Ų18.91%0.00511%0.109CC..Hα-helixtrans-66.9-41.1177.8-58.1173.8000110.6V110 P139 T144 Y145 I146 L323 I326 L330V110-I142 HydrophobicContact CG1-CG2 3.79Å; V110-I142 HydrophobicContact CG2-CD1 4.35Å; P139-I142 HydrophobicContact CG-CB 4.24Å; P139-I142 HydrophobicContact CG-CD1 4.09Å; P139-I142 PolarHBondContact O-N 3.39Å; I142-T144 VanDerWaalsContact C-N 3.29Å; I142-T144 PolarHBondContact O-N 3.07Å; I142-Y145 WeakPolarHBondContact O-CB 3.47Å; I142-Y145 PolarHBondContact O-N 2.96Å; I142-I146 HydrophobicContact CG2-CD1 3.83Å; I142-I146 WeakPolarHBondContact O-CD1 3.44Å; I142-I146 WeakPolarHBondContact O-CG1 3.42Å; I142-I146 PolarHBondContact O-N 2.99Å; I142-L323 HydrophobicContact CD1-CD2 4.09Å; I142-L323 HydrophobicContact CG1-CD2 4.11Å; I142-I326 HydrophobicContact CD1-CB 3.87Å; I142-I326 HydrophobicContact CD1-CD1 4.02Å; I142-I326 HydrophobicContact CD1-CG2 3.69Å; I142-L330 HydrophobicContact CG2-CD1 3.71Å
143L97.6Very high97.6Very high0 Ų018.5 Ų18.50%011%0.108CC..Hα-helixtrans-68.3-29.6177.5-70.3176.8000112.6N113 M117 V135 S137 N138 P139 V140 I146 V147N113-L143 HydrophobicContact CB-CD1 4Å; N113-L143 HydrophobicContact CB-CD2 3.55Å; N113-L143 HydrophobicContact CB-CG 4.39Å; M117-L143 HydrophobicContact CE-CD1 4.24Å; M117-L143 HydrophobicContact CG-CD2 4.15Å; V135-L143 HydrophobicContact CG1-CB 4Å; S137-L143 WeakPolarHBondContact O-CD1 3.42Å; N138-L143 VanDerWaalsContact C-CD1 3.41Å; N138-L143 VanDerWaalsContact O-CD1 3.24Å; N138-L143 WeakPolarHBondContact O-CD1 3.4Å; P139-L143 WeakPolarHBondContact O-CB 3.46Å; P139-L143 WeakPolarHBondContact O-CG 3.48Å; P139-L143 PolarHBondContact O-N 2.92Å; V140-L143 PolarHBondContact O-N 3.17Å; L143-I146 HydrophobicContact CD2-CD1 3.73Å; L143-I146 PolarHBondContact O-N 3.38Å; L143-V147 VanDerWaalsContact O-CB 3.32Å; L143-V147 WeakPolarHBondContact O-CB 3.48Å; L143-V147 WeakPolarHBondContact O-CG2 3.49Å; L143-V147 PolarHBondContact O-N 2.95Å
144T98.7Very high97.6Very high0 Ų021.6 Ų21.60%013%0.128CC..Hα-helixtrans-64.7-43.5172.6-560000110.8V140 D141 I142 V147 W148 V158 G160 F288V140-T144 WeakPolarHBondContact O-CB 3.42Å; V140-T144 PolarHBondContact O-N 3.36Å; V140-T144 PolarHBondContact O-OG1 3.31Å; D141-T144 PolarHBondContact O-N 3.18Å; I142-T144 VanDerWaalsContact C-N 3.29Å; I142-T144 PolarHBondContact O-N 3.07Å; T144-V147 PolarHBondContact O-N 2.9Å; T144-W148 WeakPolarHBondContact O-CB 3.18Å; T144-W148 PolarHBondContact O-N 3.42Å; T144-V158 HydrophobicContact CG2-CG1 3.93Å; T144-G160 WeakPolarHBondContact OG1-CA 3.41Å; T144-G160 PolarHBondContact OG1-N 3.12Å; T144-F288 HydrophobicContact CG2-CD1 3.44Å; T144-F288 VanDerWaalsContact CG2-CD1 3.44Å; T144-F288 HydrophobicContact CG2-CE1 3.74Å; T144-F288 HydrophobicContact CG2-CG 4.42Å
145Y98.3Very high97.5Very high26 Ų2624.1 Ų24.110%0.10214%0.141CC..Hα-helixtrans-59.1-47.4171.8167.1-100.7000112.2D141 I142 V147 W148 K149 E286 F288 Q327 F332D141-Y145 PolarHBondContact O-N 3.49Å; I142-Y145 WeakPolarHBondContact O-CB 3.47Å; I142-Y145 PolarHBondContact O-N 2.96Å; Y145-V147 PolarHBondContact O-N 2.83Å; Y145-W148 AromaticContact CD2-CE3 3.87Å; Y145-W148 HydrophobicContact CD2-CE3 3.87Å; Y145-W148 HydrophobicContact CD2-CZ3 4.03Å; Y145-W148 HydrophobicContact CE2-CE3 4.09Å; Y145-W148 AromaticContact CE2-CZ3 3.86Å; Y145-W148 HydrophobicContact CE2-CZ3 3.86Å; Y145-W148 WeakPolarHBondContact O-CB 3.44Å; Y145-W148 PolarHBondContact O-N 2.88Å; Y145-K149 HydrophobicContact CD2-CG 4.36Å; Y145-K149 HydrophobicContact CE1-CG 4.17Å; Y145-K149 HydrophobicContact CE2-CD 4.23Å; Y145-K149 HydrophobicContact CE2-CG 3.87Å; Y145-K149 WeakPolarHBondContact O-CG 3.31Å; Y145-K149 PolarHBondContact O-N 3.1Å; Y145-K149 VanDerWaalsContact OH-CE 3.23Å; Y145-K149 WeakPolarHBondContact OH-CE 3.37Å; Y145-E286 WeakPolarHBondContact CD2-O 3.31Å; Y145-E286 HydrophobicContact CE2-CB 4.23Å; Y145-F288 AromaticContact CD2-CD2 3.97Å; Y145-F288 HydrophobicContact CD2-CD2 3.97Å; Y145-F288 AromaticContact CD2-CE2 4Å; Y145-F288 HydrophobicContact CD2-CE2 4Å; Y145-F288 HydrophobicContact CG-CD2 4.32Å; Y145-Q327 VanDerWaalsContact CD1-CD 3.5Å; Y145-Q327 HydrophobicContact CD1-CG 3.6Å; Y145-Q327 VanDerWaalsContact CD2-NE2 3.26Å; Y145-Q327 HydrophobicContact CE1-CG 3.54Å; Y145-Q327 HydrophobicContact CG-CG 4.25Å; Y145-F332 HydrophobicContact CD1-CZ 4.04Å; Y145-F332 AromaticContact CE1-CE2 3.69Å; Y145-F332 HydrophobicContact CE1-CE2 3.69Å; Y145-F332 AromaticContact CE1-CZ 3.44Å; Y145-F332 HydrophobicContact CE1-CZ 3.44Å; Y145-F332 VanDerWaalsContact CE1-CZ 3.44Å
146I97.6Very high97.5Very high0 Ų026.7 Ų26.70%016%0.157CC..Hα-helixtrans-61.1-47.5179.4-70.1157.1000111V110 V114 M117 I142 L143 W148 K149 I150 L330 F332V110-I146 HydrophobicContact CG1-CD1 3.92Å; V114-I146 HydrophobicContact CG2-CD1 3.38Å; V114-I146 HydrophobicContact CG2-CG1 4.02Å; V114-I146 HydrophobicContact CG2-CG2 4.25Å; M117-I146 HydrophobicContact CB-CG2 4.11Å; M117-I146 HydrophobicContact CG-CG2 4.46Å; I142-I146 HydrophobicContact CG2-CD1 3.83Å; I142-I146 WeakPolarHBondContact O-CD1 3.44Å; I142-I146 WeakPolarHBondContact O-CG1 3.42Å; I142-I146 PolarHBondContact O-N 2.99Å; L143-I146 HydrophobicContact CD2-CD1 3.73Å; L143-I146 PolarHBondContact O-N 3.38Å; I146-W148 VanDerWaalsContact C-N 3.3Å; I146-W148 PolarHBondContact O-N 3.5Å; I146-K149 PolarHBondContact O-N 3Å; I146-I150 HydrophobicContact CG2-CD1 3.5Å; I146-I150 VanDerWaalsContact CG2-CD1 3.5Å; I146-I150 HydrophobicContact CG2-CG1 4.31Å; I146-I150 VanDerWaalsContact O-CG1 3.31Å; I146-I150 WeakPolarHBondContact O-CG1 3.46Å; I146-I150 PolarHBondContact O-N 2.98Å; I146-L330 HydrophobicContact CD1-CD1 3.89Å; I146-L330 HydrophobicContact CG1-CD1 3.98Å; I146-F332 HydrophobicContact CB-CE1 4.26Å; I146-F332 HydrophobicContact CB-CZ 4.45Å; I146-F332 HydrophobicContact CG1-CE1 4.15Å; I146-F332 HydrophobicContact CG1-CZ 3.94Å; I146-F332 HydrophobicContact CG2-CE1 4.09Å
147V98.4Very high97.5Very high0 Ų028.7 Ų28.70%016%0.164CC..Hα-helixtrans-60.9-41.4177.6168.70000110.5M117 I121 I133 V135 L143 T144 Y145 I150 S151 V158M117-V147 HydrophobicContact CG-CG2 4.07Å; M117-V147 HydrophobicContact SD-CG2 3.84Å; I121-V147 HydrophobicContact CD1-CB 4.36Å; I121-V147 HydrophobicContact CD1-CG1 3.74Å; I121-V147 HydrophobicContact CD1-CG2 3.82Å; I121-V147 HydrophobicContact CG1-CB 4.42Å; I121-V147 HydrophobicContact CG1-CG1 4.14Å; I121-V147 HydrophobicContact CG1-CG2 3.94Å; I121-V147 HydrophobicContact CG2-CG1 4.44Å; I133-V147 HydrophobicContact CB-CG1 4.39Å; I133-V147 HydrophobicContact CD1-CG1 4.11Å; I133-V147 HydrophobicContact CG2-CG1 3.82Å; V135-V147 HydrophobicContact CG2-CB 3.95Å; V135-V147 HydrophobicContact CG2-CG1 3.95Å; V135-V147 HydrophobicContact CG2-CG2 3.85Å; L143-V147 VanDerWaalsContact O-CB 3.32Å; L143-V147 WeakPolarHBondContact O-CB 3.48Å; L143-V147 WeakPolarHBondContact O-CG2 3.49Å; L143-V147 PolarHBondContact O-N 2.95Å; T144-V147 PolarHBondContact O-N 2.9Å; Y145-V147 PolarHBondContact O-N 2.83Å; V147-I150 PolarHBondContact O-N 3.43Å; V147-S151 WeakPolarHBondContact O-CB 3.47Å; V147-S151 PolarHBondContact O-N 3.39Å; V147-S151 PolarHBondContact O-OG 3.47Å; V147-V158 HydrophobicContact CB-CG1 4.2Å; V147-V158 HydrophobicContact CG1-CG1 3.77Å
148W98.6Very high97.6Very high41 Ų4128.4 Ų28.416%0.15516%0.162CC..Hα-helixtrans-59.3-49.5175168.460.8000111.6T144 Y145 I146 I150 S151 G152 L153 V158 M276 E286 F288T144-W148 WeakPolarHBondContact O-CB 3.18Å; T144-W148 PolarHBondContact O-N 3.42Å; Y145-W148 AromaticContact CD2-CE3 3.87Å; Y145-W148 HydrophobicContact CD2-CE3 3.87Å; Y145-W148 HydrophobicContact CD2-CZ3 4.03Å; Y145-W148 HydrophobicContact CE2-CE3 4.09Å; Y145-W148 AromaticContact CE2-CZ3 3.86Å; Y145-W148 HydrophobicContact CE2-CZ3 3.86Å; Y145-W148 WeakPolarHBondContact O-CB 3.44Å; Y145-W148 PolarHBondContact O-N 2.88Å; I146-W148 VanDerWaalsContact C-N 3.3Å; I146-W148 PolarHBondContact O-N 3.5Å; W148-I150 PolarHBondContact O-N 2.83Å; W148-S151 PolarHBondContact O-N 3.45Å; W148-S151 PolarHBondContact O-OG 3.41Å; W148-S151 VanDerWaalsContact O-OG 3.1Å; W148-G152 PolarHBondContact O-N 3Å; W148-L153 VanDerWaalsContact CD1-O 3.26Å; W148-L153 PolarHBondContact NE1-O 3.35Å; W148-V158 HydrophobicContact CB-CB 4.17Å; W148-V158 HydrophobicContact CB-CG1 4.01Å; W148-V158 HydrophobicContact CB-CG2 4.36Å; W148-M276 HydrophobicContact CD2-CE 4.45Å; W148-M276 HydrophobicContact CE3-CE 4.01Å; W148-M276 HydrophobicContact CH2-CE 3.3Å; W148-M276 HydrophobicContact CZ2-CE 3.82Å; W148-M276 HydrophobicContact CZ3-CE 3.39Å; W148-E286 HydrophobicContact CZ3-CB 4.49Å; W148-F288 HydrophobicContact CB-CZ 3.91Å; W148-F288 HydrophobicContact CD2-CE2 4.14Å; W148-F288 AromaticContact CD2-CZ 3.94Å; W148-F288 HydrophobicContact CD2-CZ 3.94Å; W148-F288 AromaticContact CE3-CE2 3.67Å; W148-F288 HydrophobicContact CE3-CE2 3.67Å; W148-F288 AromaticContact CE3-CZ 3.96Å; W148-F288 HydrophobicContact CE3-CZ 3.96Å; W148-F288 HydrophobicContact CG-CE2 4.5Å; W148-F288 AromaticContact CG-CZ 3.9Å; W148-F288 HydrophobicContact CG-CZ 3.9Å; W148-F288 HydrophobicContact CZ3-CE2 4.25Å
149K97.6Very high97.9Very high80 Ų8024.7 Ų24.735%0.34814%0.142SC..Hα-helixtrans-60.2-45.7177.7-71.4-60.9-170-169.90113.1Y145 I146 E286 F332Y145-K149 HydrophobicContact CD2-CG 4.36Å; Y145-K149 HydrophobicContact CE1-CG 4.17Å; Y145-K149 HydrophobicContact CE2-CD 4.23Å; Y145-K149 HydrophobicContact CE2-CG 3.87Å; Y145-K149 WeakPolarHBondContact O-CG 3.31Å; Y145-K149 PolarHBondContact O-N 3.1Å; Y145-K149 VanDerWaalsContact OH-CE 3.23Å; Y145-K149 WeakPolarHBondContact OH-CE 3.37Å; I146-K149 PolarHBondContact O-N 3Å; K149-E286 IonicContact NZ-OE2 3.79Å; K149-E286 PolarHBondContact NZ-OE2 3.27Å; K149-F332 HydrophobicContact CB-CD1 4.35Å; K149-F332 HydrophobicContact CB-CE1 3.63Å; K149-F332 HydrophobicContact CB-CZ 4Å; K149-F332 HydrophobicContact CG-CE1 4.13Å; K149-F332 HydrophobicContact CG-CZ 3.96Å
150I97.6Very high98.1Very high40 Ų4024 Ų2421%0.20514%0.137CC..Hα-helixtrans-71.8-39.2-178-63.7168.7000111.4M117 K118 I121 P122 I146 V147 W148 G152 F332M117-I150 HydrophobicContact CB-CD1 3.94Å; K118-I150 HydrophobicContact CG-CD1 3.75Å; K118-I150 HydrophobicContact CG-CG1 4.48Å; I121-I150 HydrophobicContact CB-CB 4.44Å; I121-I150 HydrophobicContact CB-CG2 3.85Å; I121-I150 HydrophobicContact CG2-CB 4.26Å; I121-I150 HydrophobicContact CG2-CG2 3.93Å; P122-I150 HydrophobicContact CG-CG2 3.9Å; I146-I150 HydrophobicContact CG2-CD1 3.5Å; I146-I150 VanDerWaalsContact CG2-CD1 3.5Å; I146-I150 HydrophobicContact CG2-CG1 4.31Å; I146-I150 VanDerWaalsContact O-CG1 3.31Å; I146-I150 WeakPolarHBondContact O-CG1 3.46Å; I146-I150 PolarHBondContact O-N 2.98Å; V147-I150 PolarHBondContact O-N 3.43Å; W148-I150 PolarHBondContact O-N 2.83Å; I150-G152 VanDerWaalsContact C-N 3.34Å; I150-G152 PolarHBondContact O-N 2.84Å; I150-F332 HydrophobicContact CG1-CD1 4.44Å; I150-F332 HydrophobicContact CG1-CE1 4.47Å
151S98.1Very high98.1Very high11 Ų1124 Ų248%0.07714%0.137CC..Hα-helixtrans-71.1-28.1-174.468.10000113.6V147 W148 L153V147-S151 WeakPolarHBondContact O-CB 3.47Å; V147-S151 PolarHBondContact O-N 3.39Å; V147-S151 PolarHBondContact O-OG 3.47Å; W148-S151 PolarHBondContact O-N 3.45Å; W148-S151 PolarHBondContact O-OG 3.41Å; W148-S151 VanDerWaalsContact O-OG 3.1Å; S151-L153 PolarHBondContact O-N 3.29Å; S151-L153 VanDerWaalsContact O-N 3.15Å; S151-L153 PolarHBondContact OG-N 3.44Å
152G97.6Very high98.2Very high67 Ų6723.8 Ų23.869%0.69114%0.136SC*.  trans64.99-170.700000113.8W148 I150W148-G152 PolarHBondContact O-N 3Å; I150-G152 VanDerWaalsContact C-N 3.34Å; I150-G152 PolarHBondContact O-N 2.84Å
153L98.1Very high98.3Very high10 Ų1023.8 Ų23.85%0.05214%0.136CC..  trans-74.3154.5179.6-65178.5000111V125 I133 W148 S151 I155 V158V125-L153 HydrophobicContact CG1-CD2 4.37Å; V125-L153 HydrophobicContact CG2-CD1 4.26Å; V125-L153 HydrophobicContact CG2-CG 4.29Å; I133-L153 HydrophobicContact CD1-CD1 3.66Å; I133-L153 HydrophobicContact CG1-CD1 3.97Å; W148-L153 VanDerWaalsContact CD1-O 3.26Å; W148-L153 PolarHBondContact NE1-O 3.35Å; S151-L153 PolarHBondContact O-N 3.29Å; S151-L153 VanDerWaalsContact O-N 3.15Å; S151-L153 PolarHBondContact OG-N 3.44Å; L153-I155 PolarHBondContact O-N 3.15Å; L153-V158 HydrophobicContact CB-CG2 4Å; L153-V158 HydrophobicContact CD1-CG2 4.33Å
154P98.1Very high98.3Very high65 Ų6524.4 Ų24.442%0.42214%0.14SC..  trans-54.4140.7166.6-22.332.3000110.5T156 R157P154-T156 PolarHBondContact O-N 2.91Å; P154-T156 VanDerWaalsContact O-N 3.08Å; P154-R157 PolarHBondContact O-N 3.2Å
155I97.5Very high98.3Very high53 Ų5324.9 Ų24.927%0.27214%0.142SC..G310 helixtrans-51.1-36.9179.6-176.2177.3000113.1L153 R157 V158 M276 F288L153-I155 PolarHBondContact O-N 3.15Å; I155-R157 PolarHBondContact O-N 3.35Å; I155-V158 PolarHBondContact O-N 2.99Å; I155-V158 VanDerWaalsContact O-N 3.11Å; I155-M276 HydrophobicContact CD1-CB 3.05Å; I155-M276 HydrophobicContact CD1-CE 4.09Å; I155-M276 HydrophobicContact CD1-CG 4.18Å; I155-M276 HydrophobicContact CD1-SD 4.2Å; I155-M276 HydrophobicContact CG1-CB 4.33Å; I155-F288 HydrophobicContact CD1-CZ 4.12Å; I155-F288 HydrophobicContact CG1-CE1 4.27Å; I155-F288 HydrophobicContact CG1-CZ 4Å
156T98.3Very high98.3Very high55 Ų5523.8 Ų23.834%0.33714%0.138SC..G310 helixtrans-58.9-21.8-179.658.90000112.8P154 G299 V300P154-T156 PolarHBondContact O-N 2.91Å; P154-T156 VanDerWaalsContact O-N 3.08Å; T156-G299 CarbonylContact O-C 3.6Å; T156-G299 VanDerWaalsContact O-CA 3.24Å; T156-G299 WeakPolarHBondContact O-CA 3.32Å; T156-V300 WeakPolarHBondContact CB-O 3.42Å; T156-V300 WeakPolarHBondContact CG2-O 3.31Å; T156-V300 PolarHBondContact O-N 2.81Å
157R98.7Very high98.4Very high50 Ų5024.1 Ų24.119%0.18914%0.14CC..G310 helixtrans-99.7-2.9-177.9-62.9-162.1-76.3148.6-14.1114.5P129 D130 C131 K132 I133 P154 I155P129-R157 PolarHBondContact O-NH1 3.5Å; D130-R157 VanDerWaalsContact C-NH1 3.32Å; D130-R157 VanDerWaalsContact CA-NH1 3.27Å; C131-R157 PolarHBondContact O-NH1 2.89Å; K132-R157 CarbonylContact C-O 3.57Å; K132-R157 WeakPolarHBondContact CA-O 3.44Å; K132-R157 HydrophobicContact CD-CG 4.47Å; K132-R157 HydrophobicContact CG-CB 4.4Å; K132-R157 HydrophobicContact CG-CG 4.44Å; I133-R157 PolarHBondContact N-O 3.26Å; P154-R157 PolarHBondContact O-N 3.2Å; I155-R157 PolarHBondContact O-N 3.35Å
158V98.8Very high98.4Very high0 Ų026.4 Ų26.40%016%0.159CC..EExtended strand (participates in β ladder)trans-117.1113.8177.7-175.30000109.1T144 V147 W148 L153 I155T144-V158 HydrophobicContact CG2-CG1 3.93Å; V147-V158 HydrophobicContact CB-CG1 4.2Å; V147-V158 HydrophobicContact CG1-CG1 3.77Å; W148-V158 HydrophobicContact CB-CB 4.17Å; W148-V158 HydrophobicContact CB-CG1 4.01Å; W148-V158 HydrophobicContact CB-CG2 4.36Å; L153-V158 HydrophobicContact CB-CG2 4Å; L153-V158 HydrophobicContact CD1-CG2 4.33Å; I155-V158 PolarHBondContact O-N 2.99Å; I155-V158 VanDerWaalsContact O-N 3.11Å
159I98.9Very high98.4Very high0 Ų025.7 Ų25.70%016%0.156CC..EExtended strand (participates in β ladder)trans-130.1127.9-165.6-50.7168.5000107.5I133 L134 V135 I263 V273 L295 V300I133-I159 PolarHBondContact O-N 3.13Å; L134-I159 CarbonylContact C-O 3.47Å; L134-I159 VanDerWaalsContact CA-O 3.3Å; L134-I159 WeakPolarHBondContact CA-O 3.4Å; L134-I159 HydrophobicContact CD1-CB 4.22Å; L134-I159 HydrophobicContact CD1-CG2 4.08Å; V135-I159 PolarHBondContact N-O 3.48Å; I159-I263 HydrophobicContact CD1-CD1 3.77Å; I159-V273 HydrophobicContact CG2-CB 3.91Å; I159-V273 HydrophobicContact CG2-CG1 4.3Å; I159-V273 HydrophobicContact CG2-CG2 3.97Å; I159-L295 HydrophobicContact CD1-CD2 4.22Å; I159-V300 HydrophobicContact CD1-CG2 4.44Å; I159-V300 HydrophobicContact CG1-CG2 4.11Å
160G98.9Very high98.5Very high0 Ų021.9 Ų21.90%014%0.14CC..EExtended strand (participates in β ladder)trans-91.4142.6168.400000110.7V135 T144 G162 V273 S274V135-G160 CarbonylContact O-C 3.55Å; V135-G160 WeakPolarHBondContact O-CA 3.41Å; T144-G160 WeakPolarHBondContact OG1-CA 3.41Å; T144-G160 PolarHBondContact OG1-N 3.12Å; G160-G162 PolarHBondContact O-N 3.49Å; G160-G162 VanDerWaalsContact O-N 3.13Å; G160-V273 VanDerWaalsContact O-CB 3.32Å; G160-V273 WeakPolarHBondContact O-CB 3.22Å; G160-S274 PolarHBondContact N-O 3.17Å; G160-S274 PolarHBondContact O-N 2.93Å
161S98.9Very high98.5Very high1 Ų123.6 Ų23.61%0.00714%0.144CC..  trans-56.2-32.1177.161.90000112.5V135 N164V135-S161 PolarHBondContact O-N 3.21Å; S161-N164 WeakPolarHBondContact O-CB 3.45Å; S161-N164 PolarHBondContact O-N 2.96Å
162G98.5Very high98.6Very high0 Ų029.2 Ų29.20%016%0.164CC..THydrogen-bonded Turntrans52.8-146.716900000113.8G160 N164 S290G160-G162 PolarHBondContact O-N 3.49Å; G160-G162 VanDerWaalsContact O-N 3.13Å; G162-N164 PolarHBondContact O-N 2.97Å; G162-N164 VanDerWaalsContact O-N 3.15Å; G162-S290 WeakPolarHBondContact CA-OG 3.4Å
163C98.8Very high98.6Very high0 Ų026.7 Ų26.70%014%0.135CC..THydrogen-bonded Turntrans-7914.5-176-64.30000114.7L165 D166 S167 I189 E192 P272 S290C163-L165 PolarHBondContact O-N 2.93Å; C163-D166 WeakPolarHBondContact CA-OD2 3.41Å; C163-D166 HydrophobicContact CB-CB 4.14Å; C163-D166 PolarHBondContact O-N 3.47Å; C163-S167 VanDerWaalsContact O-CB 3.29Å; C163-S167 WeakPolarHBondContact O-CB 3.24Å; C163-S167 PolarHBondContact O-N 3.46Å; C163-S167 PolarHBondContact O-OG 3.33Å; C163-I189 HydrophobicContact CB-CB 4.39Å; C163-I189 HydrophobicContact CB-CG2 4.22Å; C163-I189 WeakPolarHBondContact CB-O 3.36Å; C163-E192 PolarHBondContact SG-O 3.44Å; C163-E192 VanDerWaalsContact SG-O 3.35Å; C163-P272 CarbonylContact C-O 3.47Å; C163-P272 VanDerWaalsContact C-O 3.32Å; C163-P272 HydrophobicContact CB-CB 4.37Å; C163-P272 PolarHBondContact N-O 3.4Å; C163-S290 PolarHBondContact N-OG 3.39Å; C163-S290 VanDerWaalsContact SG-CB 3.56Å; C163-S290 PolarHBondContact SG-OG 2.87Å
164N98.9Very high98.7Very high14 Ų1426.2 Ų26.28%0.07513%0.132CC..Hα-helixtrans-61.3-39.1174.4-167.371.7000110.4S161 G162 A168 S255 L259 H271 P272S161-N164 WeakPolarHBondContact O-CB 3.45Å; S161-N164 PolarHBondContact O-N 2.96Å; G162-N164 PolarHBondContact O-N 2.97Å; G162-N164 VanDerWaalsContact O-N 3.15Å; N164-A168 WeakPolarHBondContact O-CB 3.49Å; N164-A168 PolarHBondContact O-N 2.86Å; N164-A168 VanDerWaalsContact O-N 3.12Å; N164-S255 PolarHBondContact ND2-O 2.96Å; N164-S255 PolarHBondContact ND2-OG 3.3Å; N164-L259 HydrophobicContact CB-CD1 4.34Å; N164-L259 HydrophobicContact CB-CD2 4.15Å; N164-H271 PolarHBondContact OD1-ND1 3.48Å; N164-H271 VanDerWaalsContact OD1-ND1 3.12Å; N164-P272 PolarHBondContact N-O 3.06Å
165L98.8Very high98.7Very high9 Ų923.4 Ų23.45%0.04712%0.115CC..Hα-helixtrans-71-43.4174.7177.858.6000112.3C163 S167 A168 R169 A251 I252 S255C163-L165 PolarHBondContact O-N 2.93Å; L165-S167 VanDerWaalsContact C-N 3.33Å; L165-S167 PolarHBondContact O-N 3.46Å; L165-A168 WeakPolarHBondContact O-CB 3.39Å; L165-A168 PolarHBondContact O-N 3.11Å; L165-A168 VanDerWaalsContact O-N 3.13Å; L165-R169 HydrophobicContact CD1-CG 4.44Å; L165-R169 WeakPolarHBondContact O-CG 3.27Å; L165-R169 PolarHBondContact O-N 3.47Å; L165-A251 HydrophobicContact CD1-CB 3.65Å; L165-I252 HydrophobicContact CB-CD1 4.49Å; L165-I252 HydrophobicContact CD2-CB 3.96Å; L165-I252 HydrophobicContact CD2-CD1 4.13Å; L165-S255 PolarHBondContact N-OG 3.25Å
166D98.7Very high98.7Very high4 Ų426.5 Ų26.52%0.02113%0.128CC..Hα-helixtrans-63.5-41.7-179.4-54.4-97.1000110.9C163 A168 R169 F170 I189 H193 V234C163-D166 WeakPolarHBondContact CA-OD2 3.41Å; C163-D166 HydrophobicContact CB-CB 4.14Å; C163-D166 PolarHBondContact O-N 3.47Å; D166-A168 VanDerWaalsContact C-N 3.34Å; D166-A168 PolarHBondContact O-N 3.46Å; D166-R169 PolarHBondContact O-N 3.15Å; D166-F170 VanDerWaalsContact O-CB 3.3Å; D166-F170 WeakPolarHBondContact O-CB 3.19Å; D166-F170 PolarHBondContact O-N 2.83Å; D166-I189 HydrophobicContact CB-CB 3.97Å; D166-I189 HydrophobicContact CB-CG1 4.25Å; D166-I189 HydrophobicContact CB-CG2 3.83Å; D166-H193 IonicContact OD1-CE1 2.78Å; D166-H193 IonicContact OD1-ND1 2.68Å; D166-H193 PolarHBondContact OD1-ND1 2.9Å; D166-H193 IonicContact OD2-CE1 2.81Å; D166-H193 PolarHBondContact OD2-CE1 2.89Å; D166-H193 IonicContact OD2-CG 3.76Å; D166-H193 IonicContact OD2-ND1 3.18Å; D166-H193 PolarHBondContact OD2-ND1 3.11Å; D166-V234 HydrophobicContact CB-CG1 3.84Å
167S98.9Very high98.7Very high6 Ų627.7 Ų27.74%0.04213%0.128CC..Hα-helixtrans-64.8-36.9172.8-620000112C163 L165 F170 R171 I189 P272C163-S167 VanDerWaalsContact O-CB 3.29Å; C163-S167 WeakPolarHBondContact O-CB 3.24Å; C163-S167 PolarHBondContact O-N 3.46Å; C163-S167 PolarHBondContact O-OG 3.33Å; L165-S167 VanDerWaalsContact C-N 3.33Å; L165-S167 PolarHBondContact O-N 3.46Å; S167-F170 PolarHBondContact O-N 2.95Å; S167-R171 WeakPolarHBondContact O-CB 3.37Å; S167-R171 WeakPolarHBondContact O-CD 3.07Å; S167-R171 WeakPolarHBondContact O-CG 3.46Å; S167-R171 PolarHBondContact O-N 3.07Å; S167-I189 PolarHBondContact OG-N 3.12Å; S167-I189 PolarHBondContact OG-O 2.92Å; S167-P272 VanDerWaalsContact OG-CG 3.24Å; S167-P272 WeakPolarHBondContact OG-CG 3.37Å
168A98.8Very high98.7Very high48 Ų4828.7 Ų28.740%0.39714%0.137SC..Hα-helixtrans-65.2-42.7173.900000112.1N164 L165 D166 R171 Y172N164-A168 WeakPolarHBondContact O-CB 3.49Å; N164-A168 PolarHBondContact O-N 2.86Å; N164-A168 VanDerWaalsContact O-N 3.12Å; L165-A168 WeakPolarHBondContact O-CB 3.39Å; L165-A168 PolarHBondContact O-N 3.11Å; L165-A168 VanDerWaalsContact O-N 3.13Å; D166-A168 VanDerWaalsContact C-N 3.34Å; D166-A168 PolarHBondContact O-N 3.46Å; A168-R171 PolarHBondContact O-N 2.95Å; A168-Y172 WeakPolarHBondContact O-CB 3.3Å; A168-Y172 PolarHBondContact O-N 3.22Å
169R98.8Very high98.7Very high26 Ų2632.2 Ų32.210%0.09817%0.174CC..Hα-helixtrans-62.4-44.3173.8-72.2172.6172.5157.9-3.3111.7L165 D166 R171 Y172 L173 V234L165-R169 HydrophobicContact CD1-CG 4.44Å; L165-R169 WeakPolarHBondContact O-CG 3.27Å; L165-R169 PolarHBondContact O-N 3.47Å; D166-R169 PolarHBondContact O-N 3.15Å; R169-R171 PolarHBondContact O-N 3.26Å; R169-Y172 WeakPolarHBondContact O-CB 3.43Å; R169-Y172 PolarHBondContact O-N 2.93Å; R169-L173 WeakPolarHBondContact O-CG 3.1Å; R169-L173 PolarHBondContact O-N 3.48Å; R169-V234 HydrophobicContact CB-CG1 4.31Å; R169-V234 HydrophobicContact CB-CG2 4.11Å
170F98.8Very high98.7Very high0 Ų034.6 Ų34.60%019%0.188CC..Hα-helixtrans-58.6-47.7177.4-170.9-121000111.3D166 S167 Y172 L173 I174 I189 P199 W201 V204 I230 V234D166-F170 VanDerWaalsContact O-CB 3.3Å; D166-F170 WeakPolarHBondContact O-CB 3.19Å; D166-F170 PolarHBondContact O-N 2.83Å; S167-F170 PolarHBondContact O-N 2.95Å; F170-Y172 VanDerWaalsContact C-N 3.35Å; F170-Y172 PolarHBondContact O-N 3.13Å; F170-L173 PolarHBondContact O-N 2.85Å; F170-I174 HydrophobicContact CD1-CD1 3.61Å; F170-I174 HydrophobicContact CD2-CD1 4.39Å; F170-I174 HydrophobicContact CE1-CD1 3.45Å; F170-I174 VanDerWaalsContact CE1-CD1 3.45Å; F170-I174 HydrophobicContact CE2-CD1 4.22Å; F170-I174 HydrophobicContact CG-CD1 4.1Å; F170-I174 HydrophobicContact CZ-CD1 3.77Å; F170-I174 VanDerWaalsContact O-CG1 3.25Å; F170-I174 WeakPolarHBondContact O-CG1 3.32Å; F170-I174 PolarHBondContact O-N 2.83Å; F170-I189 HydrophobicContact CB-CD1 4.08Å; F170-I189 HydrophobicContact CB-CG1 3.75Å; F170-I189 HydrophobicContact CD1-CD1 4.01Å; F170-I189 HydrophobicContact CD1-CG1 4.29Å; F170-I189 HydrophobicContact CD2-CD1 3.76Å; F170-I189 HydrophobicContact CD2-CG1 4.39Å; F170-I189 HydrophobicContact CE1-CD1 4.32Å; F170-I189 HydrophobicContact CE2-CD1 4.13Å; F170-I189 HydrophobicContact CG-CD1 3.7Å; F170-I189 HydrophobicContact CG-CG1 3.93Å; F170-I189 HydrophobicContact CZ-CD1 4.39Å; F170-P199 HydrophobicContact CE2-CB 4.37Å; F170-P199 HydrophobicContact CZ-CB 4.25Å; F170-W201 AromaticContact CE2-CH2 3.53Å; F170-W201 HydrophobicContact CE2-CH2 3.53Å; F170-W201 HydrophobicContact CE2-CZ2 4.13Å; F170-W201 AromaticContact CE2-CZ3 3.87Å; F170-W201 HydrophobicContact CE2-CZ3 3.87Å; F170-W201 AromaticContact CZ-CE3 3.93Å; F170-W201 HydrophobicContact CZ-CE3 3.93Å; F170-W201 AromaticContact CZ-CH2 3.6Å; F170-W201 HydrophobicContact CZ-CH2 3.6Å; F170-W201 HydrophobicContact CZ-CZ2 4.23Å; F170-W201 AromaticContact CZ-CZ3 3.44Å; F170-W201 HydrophobicContact CZ-CZ3 3.44Å; F170-W201 VanDerWaalsContact CZ-CZ3 3.44Å; F170-V204 HydrophobicContact CE1-CG2 3.78Å; F170-V204 HydrophobicContact CZ-CG2 4.08Å; F170-I230 HydrophobicContact CD2-CG2 3.58Å; F170-I230 HydrophobicContact CE2-CB 4.43Å; F170-I230 HydrophobicContact CE2-CG2 3.71Å; F170-V234 HydrophobicContact CB-CG2 3.91Å; F170-V234 HydrophobicContact CD2-CG2 4.05Å
171R98.8Very high98.7Very high76 Ų7640.6 Ų40.629%0.28722%0.216SC..Hα-helixtrans-67.3-32.6177.2-67.7167.763.5-169.42.8113.1S167 A168 R169 G175 S182 T183 C185S167-R171 WeakPolarHBondContact O-CB 3.37Å; S167-R171 WeakPolarHBondContact O-CD 3.07Å; S167-R171 WeakPolarHBondContact O-CG 3.46Å; S167-R171 PolarHBondContact O-N 3.07Å; A168-R171 PolarHBondContact O-N 2.95Å; R169-R171 PolarHBondContact O-N 3.26Å; R171-G175 PolarHBondContact O-N 3.41Å; R171-S182 PolarHBondContact NE-O 3.45Å; R171-S182 VanDerWaalsContact NE-O 3.13Å; R171-S182 PolarHBondContact NH2-O 3.22Å; R171-S182 WeakPolarHBondContact O-CB 3.36Å; R171-T183 PolarHBondContact NH2-O 2.84Å; R171-C185 WeakPolarHBondContact CG-O 3.27Å; R171-C185 PolarHBondContact NE-O 2.94Å
172Y98.8Very high98.6Very high129 Ų12942.3 Ų42.351%0.50623%0.228SC..Hα-helixtrans-61.3-52.7171.1165.6-94.5000111A168 R169 F170 I174 G175 E176A168-Y172 WeakPolarHBondContact O-CB 3.3Å; A168-Y172 PolarHBondContact O-N 3.22Å; R169-Y172 WeakPolarHBondContact O-CB 3.43Å; R169-Y172 PolarHBondContact O-N 2.93Å; F170-Y172 VanDerWaalsContact C-N 3.35Å; F170-Y172 PolarHBondContact O-N 3.13Å; Y172-I174 PolarHBondContact O-N 3.11Å; Y172-G175 CarbonylContact O-C 3.57Å; Y172-G175 WeakPolarHBondContact O-CA 3.32Å; Y172-G175 PolarHBondContact O-N 3.33Å; Y172-G175 VanDerWaalsContact O-N 3.1Å; Y172-E176 PolarHBondContact O-N 3.07Å; Y172-E176 PolarHBondContact OH-OE1 2.77Å
173L98.7Very high98.6Very high14 Ų1446.4 Ų46.47%0.07325%0.253CS..Hα-helixtrans-66.5-37.4-177.7-68.4170.4000112.6R169 F170 G175 E176 K177 I230 Q233 V234R169-L173 WeakPolarHBondContact O-CG 3.1Å; R169-L173 PolarHBondContact O-N 3.48Å; F170-L173 PolarHBondContact O-N 2.85Å; L173-G175 VanDerWaalsContact C-N 3.32Å; L173-E176 PolarHBondContact O-N 3.49Å; L173-K177 WeakPolarHBondContact O-CB 3.15Å; L173-K177 PolarHBondContact O-N 3.05Å; L173-I230 HydrophobicContact CB-CG2 3.59Å; L173-I230 HydrophobicContact CD1-CG2 3.95Å; L173-I230 HydrophobicContact CG-CG2 4.44Å; L173-Q233 HydrophobicContact CD1-CB 3.7Å; L173-V234 HydrophobicContact CD1-CG2 3.91Å
174I98.6Very high98.6Very high1 Ų149.1 Ų49.11%0.00527%0.272CS..Hα-helixtrans-60.9-45.9170.7-68.3167.8000110F170 Y172 E176 K177 L178 C185 V204 W227 I230F170-I174 HydrophobicContact CD1-CD1 3.61Å; F170-I174 HydrophobicContact CD2-CD1 4.39Å; F170-I174 HydrophobicContact CE1-CD1 3.45Å; F170-I174 VanDerWaalsContact CE1-CD1 3.45Å; F170-I174 HydrophobicContact CE2-CD1 4.22Å; F170-I174 HydrophobicContact CG-CD1 4.1Å; F170-I174 HydrophobicContact CZ-CD1 3.77Å; F170-I174 VanDerWaalsContact O-CG1 3.25Å; F170-I174 WeakPolarHBondContact O-CG1 3.32Å; F170-I174 PolarHBondContact O-N 2.83Å; Y172-I174 PolarHBondContact O-N 3.11Å; I174-E176 PolarHBondContact O-N 3.41Å; I174-K177 PolarHBondContact O-N 3.13Å; I174-L178 HydrophobicContact CG2-CD1 3.75Å; I174-L178 HydrophobicContact CG2-CG 4.41Å; I174-L178 WeakPolarHBondContact O-CB 3.16Å; I174-L178 WeakPolarHBondContact O-CG 3.49Å; I174-L178 PolarHBondContact O-N 2.66Å; I174-C185 HydrophobicContact CB-CB 4.4Å; I174-C185 HydrophobicContact CG2-CB 3.9Å; I174-V204 HydrophobicContact CD1-CG1 3.93Å; I174-W227 HydrophobicContact CG1-CZ3 4.13Å; I174-W227 HydrophobicContact CG2-CZ3 4.17Å; I174-I230 HydrophobicContact CG1-CD1 4.14Å; I174-I230 HydrophobicContact CG1-CG2 4.44Å
175G98.7Very high98.6Very high5 Ų548.5 Ų48.55%0.05227%0.269CS..Hα-helixtrans-61.8-41.9178.700000113R171 Y172 L173 L178 G179 V180 C185R171-G175 PolarHBondContact O-N 3.41Å; Y172-G175 CarbonylContact O-C 3.57Å; Y172-G175 WeakPolarHBondContact O-CA 3.32Å; Y172-G175 PolarHBondContact O-N 3.33Å; Y172-G175 VanDerWaalsContact O-N 3.1Å; L173-G175 VanDerWaalsContact C-N 3.32Å; G175-L178 PolarHBondContact O-N 3.07Å; G175-G179 WeakPolarHBondContact O-CA 3.46Å; G175-G179 PolarHBondContact O-N 3.46Å; G175-V180 CarbonylContact C-O 3.57Å; G175-V180 VanDerWaalsContact C-O 3.31Å; G175-V180 WeakPolarHBondContact CA-O 3.31Å; G175-V180 PolarHBondContact O-N 2.84Å; G175-C185 VanDerWaalsContact CA-SG 3.57Å
176E98.6Very high98.6Very high118 Ų11851.5 Ų51.555%0.55128%0.282SS*.Hα-helixtrans-59.8-46.8173.7-174.4179-109.700111.4Y172 L173 I174 L178Y172-E176 PolarHBondContact O-N 3.07Å; Y172-E176 PolarHBondContact OH-OE1 2.77Å; L173-E176 PolarHBondContact O-N 3.49Å; I174-E176 PolarHBondContact O-N 3.41Å; E176-L178 VanDerWaalsContact C-N 3.33Å; E176-L178 PolarHBondContact O-N 2.84Å
177K98.3Very high98.6Very high80 Ų8051.4 Ų51.435%0.34828%0.283SS..Hα-helixtrans-64.1-35.3178.4-170.4170.2-175177.10113.1L173 I174 E225 W227 I230L173-K177 WeakPolarHBondContact O-CB 3.15Å; L173-K177 PolarHBondContact O-N 3.05Å; I174-K177 PolarHBondContact O-N 3.13Å; K177-E225 PolarHBondContact NZ-O 3.34Å; K177-E225 IonicContact NZ-OE2 3.17Å; K177-W227 HydrophobicContact CD-CD2 4.2Å; K177-W227 HydrophobicContact CD-CE3 4.27Å; K177-W227 HydrophobicContact CD-CH2 3.88Å; K177-W227 HydrophobicContact CD-CZ2 3.81Å; K177-W227 HydrophobicContact CD-CZ3 4.12Å; K177-W227 HydrophobicContact CG-CH2 4.32Å; K177-W227 HydrophobicContact CG-CZ2 4.4Å; K177-I230 HydrophobicContact CD-CD1 3.96Å
178L98.1Very high98.6Very high71 Ų7155 Ų5537%0.37230%0.295SS..Hα-helixtrans-95.3-9.6-176.4-64.7178.6000114.3I174 G175 E176 V180 V206 L211 W227I174-L178 HydrophobicContact CG2-CD1 3.75Å; I174-L178 HydrophobicContact CG2-CG 4.41Å; I174-L178 WeakPolarHBondContact O-CB 3.16Å; I174-L178 WeakPolarHBondContact O-CG 3.49Å; I174-L178 PolarHBondContact O-N 2.66Å; G175-L178 PolarHBondContact O-N 3.07Å; E176-L178 VanDerWaalsContact C-N 3.33Å; E176-L178 PolarHBondContact O-N 2.84Å; L178-V180 VanDerWaalsContact C-N 3.29Å; L178-V180 HydrophobicContact CB-CB 4.4Å; L178-V180 HydrophobicContact CB-CG2 4.15Å; L178-V206 HydrophobicContact CD1-CG2 3.83Å; L178-L211 HydrophobicContact CD1-CD2 4.29Å; L178-W227 HydrophobicContact CD1-CH2 4.19Å; L178-W227 HydrophobicContact CD2-CH2 3.78Å; L178-W227 HydrophobicContact CD2-CZ2 4.11Å; L178-W227 HydrophobicContact CG-CH2 3.92Å
179G98.4Very high98.6Very high74 Ų7452.7 Ų52.776%0.76328%0.276SS*.THydrogen-bonded Turntrans66.529.2-170.600000113.5G175G175-G179 WeakPolarHBondContact O-CA 3.46Å; G175-G179 PolarHBondContact O-N 3.46Å
180V98.6Very high98.6Very high51 Ų5151.4 Ų51.431%0.30927%0.272SS..  trans-120140.7-177.5178.10000109.7G175 L178 S182G175-V180 CarbonylContact C-O 3.57Å; G175-V180 VanDerWaalsContact C-O 3.31Å; G175-V180 WeakPolarHBondContact CA-O 3.31Å; G175-V180 PolarHBondContact O-N 2.84Å; L178-V180 VanDerWaalsContact C-N 3.29Å; L178-V180 HydrophobicContact CB-CB 4.4Å; L178-V180 HydrophobicContact CB-CG2 4.15Å; V180-S182 PolarHBondContact O-N 3.34Å
181H98.8Very high98.6Very high126 Ų12651.4 Ų51.458%0.58327%0.272SS*.  trans-62.6139.8177.7-169.9-97.3000111.6T183 S184 C185H181-T183 VanDerWaalsContact CE1-CG2 3.47Å; H181-T183 WeakPolarHBondContact CE1-CG2 3.43Å; H181-T183 WeakPolarHBondContact ND1-CG2 3.47Å; H181-T183 PolarHBondContact ND1-N 3.44Å; H181-T183 PolarHBondContact ND1-OG1 3.3Å; H181-T183 PolarHBondContact O-N 2.62Å; H181-S184 PolarHBondContact O-N 3.11Å; H181-C185 PolarHBondContact O-N 2.82Å
182S98.4Very high98.5Very high37 Ų3748 Ų4826%0.25926%0.259SS..THydrogen-bonded Turntrans-59.3-22.4-173.962.70000114.4R171 V180 S184 C185R171-S182 PolarHBondContact NE-O 3.45Å; R171-S182 VanDerWaalsContact NE-O 3.13Å; R171-S182 PolarHBondContact NH2-O 3.22Å; R171-S182 WeakPolarHBondContact O-CB 3.36Å; V180-S182 PolarHBondContact O-N 3.34Å; S182-S184 PolarHBondContact O-N 3.46Å; S182-C185 PolarHBondContact O-N 3.33Å
183T98.3Very high98.5Very high85 Ų8543.6 Ų43.652%0.52124%0.243SC..THydrogen-bonded Turntrans-64.6-28.3173.155.90000113R171 H181R171-T183 PolarHBondContact NH2-O 2.84Å; H181-T183 VanDerWaalsContact CE1-CG2 3.47Å; H181-T183 WeakPolarHBondContact CE1-CG2 3.43Å; H181-T183 WeakPolarHBondContact ND1-CG2 3.47Å; H181-T183 PolarHBondContact ND1-N 3.44Å; H181-T183 PolarHBondContact ND1-OG1 3.3Å; H181-T183 PolarHBondContact O-N 2.62Å
184S98.7Very high98.2Very high58 Ų5843.9 Ų43.941%0.40625%0.249SC..THydrogen-bonded Turntrans-101.2-2.4-179.2-54.10000113H181 S182H181-S184 PolarHBondContact O-N 3.11Å; S182-S184 PolarHBondContact O-N 3.46Å
185C98.7Very high98Very high0 Ų048 Ų480%027%0.271CS..EExtended strand (participates in β ladder)trans-98122.6168.9-60.50000109R171 I174 G175 H181 S182R171-C185 WeakPolarHBondContact CG-O 3.27Å; R171-C185 PolarHBondContact NE-O 2.94Å; I174-C185 HydrophobicContact CB-CB 4.4Å; I174-C185 HydrophobicContact CG2-CB 3.9Å; G175-C185 VanDerWaalsContact CA-SG 3.57Å; H181-C185 PolarHBondContact O-N 2.82Å; S182-C185 PolarHBondContact O-N 3.33Å
186H98.8Very high97.9Very high72 Ų7249.1 Ų49.133%0.33328%0.278SS..EExtended strand (participates in β ladder)trans-111.1129.7-178.5-54.3-68.6000109.8V204 N205H186-V204 CarbonylContact O-C 3.59Å; H186-V204 VanDerWaalsContact O-CA 3.29Å; H186-V204 WeakPolarHBondContact O-CA 3.34Å; H186-N205 WeakPolarHBondContact CB-ND2 3.29Å; H186-N205 WeakPolarHBondContact CB-O 3.25Å; H186-N205 PolarHBondContact CD2-OD1 3.26Å; H186-N205 PolarHBondContact N-O 3.29Å; H186-N205 PolarHBondContact O-N 2.92Å
187G98.2Very high97.8Very high3 Ų343.8 Ų43.83%0.03125%0.254CS..  trans-173.3147.3179.500000108.8
188W98.6Very high97.9Very high80 Ų8040 Ų4030%0.30324%0.238SC..  trans-123.7132.2-173.7-62.189.6000110I190 L200 V270 P272 P292W188-I190 HydrophobicContact CB-CG2 4.49Å; W188-L200 HydrophobicContact CB-CB 4.39Å; W188-L200 HydrophobicContact CB-CD1 4.08Å; W188-L200 HydrophobicContact CB-CG 4.41Å; W188-L200 PolarHBondContact O-N 2.97Å; W188-V270 HydrophobicContact CH2-CB 4.26Å; W188-V270 HydrophobicContact CH2-CG1 3.77Å; W188-V270 HydrophobicContact CZ3-CG1 4.25Å; W188-P272 HydrophobicContact CE3-CB 3.99Å; W188-P272 HydrophobicContact CE3-CG 3.76Å; W188-P272 HydrophobicContact CZ3-CB 4.24Å; W188-P272 HydrophobicContact CZ3-CG 3.87Å; W188-P292 HydrophobicContact CD2-CG 4.27Å; W188-P292 HydrophobicContact CE3-CB 4.23Å; W188-P292 HydrophobicContact CE3-CG 3.84Å; W188-P292 HydrophobicContact CH2-CB 4.42Å; W188-P292 HydrophobicContact CZ3-CB 3.98Å; W188-P292 HydrophobicContact CZ3-CG 4.12Å
189I98.8Very high97.9Very high0 Ų037.1 Ų37.10%022%0.223CC..EExtended strand (participates in β ladder)trans-102.2126.4160.9-56.9-56.7000107.1C163 D166 S167 F170 V198 P199C163-I189 HydrophobicContact CB-CB 4.39Å; C163-I189 HydrophobicContact CB-CG2 4.22Å; C163-I189 WeakPolarHBondContact CB-O 3.36Å; D166-I189 HydrophobicContact CB-CB 3.97Å; D166-I189 HydrophobicContact CB-CG1 4.25Å; D166-I189 HydrophobicContact CB-CG2 3.83Å; S167-I189 PolarHBondContact OG-N 3.12Å; S167-I189 PolarHBondContact OG-O 2.92Å; F170-I189 HydrophobicContact CB-CD1 4.08Å; F170-I189 HydrophobicContact CB-CG1 3.75Å; F170-I189 HydrophobicContact CD1-CD1 4.01Å; F170-I189 HydrophobicContact CD1-CG1 4.29Å; F170-I189 HydrophobicContact CD2-CD1 3.76Å; F170-I189 HydrophobicContact CD2-CG1 4.39Å; F170-I189 HydrophobicContact CE1-CD1 4.32Å; F170-I189 HydrophobicContact CE2-CD1 4.13Å; F170-I189 HydrophobicContact CG-CD1 3.7Å; F170-I189 HydrophobicContact CG-CG1 3.93Å; F170-I189 HydrophobicContact CZ-CD1 4.39Å; I189-V198 WeakPolarHBondContact CA-O 3.44Å; I189-P199 HydrophobicContact CD1-CB 3.69Å
190I98.7Very high97.8Very high0 Ų033.7 Ų33.70%019%0.187CC..EExtended strand (participates in β ladder)trans-121.5-179.2176.469164.2000110.3W188 V198 L200 S290 P292 I306 L308 F316W188-I190 HydrophobicContact CB-CG2 4.49Å; I190-V198 HydrophobicContact CG1-CB 4Å; I190-V198 PolarHBondContact N-O 3.4Å; I190-V198 PolarHBondContact O-N 2.96Å; I190-L200 HydrophobicContact CD1-CD1 4Å; I190-L200 HydrophobicContact CD1-CD2 3.83Å; I190-L200 HydrophobicContact CD1-CG 4.26Å; I190-L200 HydrophobicContact CG1-CD1 4.17Å; I190-L200 HydrophobicContact CG1-CD2 3.93Å; I190-L200 HydrophobicContact CG1-CG 4.09Å; I190-L200 HydrophobicContact CG2-CD1 3.83Å; I190-L200 HydrophobicContact CG2-CG 4.35Å; I190-S290 WeakPolarHBondContact CB-O 3.27Å; I190-P292 HydrophobicContact CG2-CG 4.36Å; I190-I306 HydrophobicContact CG2-CD1 4.21Å; I190-L308 HydrophobicContact CD1-CD1 4.38Å; I190-L308 HydrophobicContact CD1-CD2 4.06Å; I190-F316 HydrophobicContact CB-CE2 4.45Å; I190-F316 HydrophobicContact CD1-CD2 3.42Å; I190-F316 VanDerWaalsContact CD1-CD2 3.42Å; I190-F316 HydrophobicContact CD1-CE2 3.78Å; I190-F316 HydrophobicContact CD1-CG 4.11Å; I190-F316 HydrophobicContact CG1-CD2 3.85Å; I190-F316 HydrophobicContact CG1-CE2 4.19Å
191G98.3Very high97.8Very high0 Ų032.1 Ų32.10%018%0.175CC..BIsolated β-bridgetrans85-146.3-18000000112.6L289 S290G191-L289 VanDerWaalsContact C-CD2 3.43Å; G191-S290 PolarHBondContact N-O 3.48Å; G191-S290 WeakPolarHBondContact O-CA 3.42Å; G191-S290 WeakPolarHBondContact O-CB 3.36Å; G191-S290 PolarHBondContact O-N 2.83Å; G191-S290 PolarHBondContact O-OG 3.45Å
192E98.3Very high97.7Very high4 Ų428.3 Ų28.32%0.01916%0.163CC..  trans-65.4138.5178.7177.7-170.2-156.400110.6R106 D141 C163 G194 S196 S197 L289 S319 L323R106-E192 IonicContact CZ-OE1 3.35Å; R106-E192 IonicContact NH1-OE1 2.73Å; R106-E192 PolarHBondContact NH1-OE1 2.81Å; R106-E192 IonicContact NH2-OE1 2.74Å; R106-E192 PolarHBondContact NH2-OE1 3.34Å; D141-E192 WeakPolarHBondContact OD2-CA 3.34Å; C163-E192 PolarHBondContact SG-O 3.44Å; C163-E192 VanDerWaalsContact SG-O 3.35Å; E192-G194 VanDerWaalsContact C-N 3.26Å; E192-G194 PolarHBondContact O-N 2.63Å; E192-S196 VanDerWaalsContact CB-OG 3.3Å; E192-S196 WeakPolarHBondContact CB-OG 3.5Å; E192-S196 WeakPolarHBondContact OE2-CA 3.46Å; E192-S196 VanDerWaalsContact OE2-CB 3.23Å; E192-S196 WeakPolarHBondContact OE2-CB 3.25Å; E192-S196 PolarHBondContact OE2-N 3.32Å; E192-S196 PolarHBondContact OE2-OG 2.95Å; E192-S197 WeakPolarHBondContact O-CA 3.42Å; E192-S197 WeakPolarHBondContact O-CB 3.36Å; E192-L289 HydrophobicContact CB-CD2 4.24Å; E192-L289 VanDerWaalsContact N-CD2 3.33Å; E192-S319 VanDerWaalsContact CB-OG 3.31Å; E192-S319 WeakPolarHBondContact CB-OG 3.43Å; E192-S319 PolarHBondContact N-OG 3.41Å; E192-L323 HydrophobicContact CB-CD1 4.44Å; E192-L323 HydrophobicContact CB-CG 4.49Å; E192-L323 HydrophobicContact CG-CD2 3.99Å; E192-L323 HydrophobicContact CG-CG 4.49Å
193H97.1Very high97.7Very high36 Ų3627.9 Ų27.917%0.16717%0.165CC..SBendtrans-72.685.6158.1175.455.9000109.3N138 V140 D141 D166N138-H193 PolarHBondContact OD1-CD2 2.64Å; V140-H193 HydrophobicContact CG1-CB 3.58Å; D141-H193 PolarHBondContact OD2-N 3.1Å; D166-H193 IonicContact OD1-CE1 2.78Å; D166-H193 IonicContact OD1-ND1 2.68Å; D166-H193 PolarHBondContact OD1-ND1 2.9Å; D166-H193 IonicContact OD2-CE1 2.81Å; D166-H193 PolarHBondContact OD2-CE1 2.89Å; D166-H193 IonicContact OD2-CG 3.76Å; D166-H193 IonicContact OD2-ND1 3.18Å; D166-H193 PolarHBondContact OD2-ND1 3.11Å
194G93.3Very high97.6Very high20 Ų2023.9 Ų23.921%0.20614%0.14CC..SBendtrans160.9-155.6-173.800000113.7E192 S196 S197E192-G194 VanDerWaalsContact C-N 3.26Å; E192-G194 PolarHBondContact O-N 2.63Å; G194-S196 VanDerWaalsContact C-N 3.29Å; G194-S196 PolarHBondContact O-N 3.2Å; G194-S197 VanDerWaalsContact O-CB 3.28Å; G194-S197 WeakPolarHBondContact O-CB 3.42Å; G194-S197 PolarHBondContact O-N 2.78Å; G194-S197 VanDerWaalsContact O-N 3.14Å; G194-S197 PolarHBondContact O-OG 3.2Å; G194-S197 VanDerWaalsContact O-OG 3.07Å
195D93.4Very high97.6Very high89 Ų8922.8 Ų22.848%0.47613%0.13SC..THydrogen-bonded Turntrans-66.4-27.4-168.2-57.6-18.6000113.3Y239D195-Y239 WeakPolarHBondContact OD1-CE2 3.33Å; D195-Y239 PolarHBondContact OD1-OH 3.17Å; D195-Y239 PolarHBondContact OD2-OH 3.41Å
196S96.9Very high97.6Very high27 Ų2724.5 Ų24.519%0.18914%0.14CC..THydrogen-bonded Turntrans-94.315.817775.50000114.4E192 G194 S319E192-S196 VanDerWaalsContact CB-OG 3.3Å; E192-S196 WeakPolarHBondContact CB-OG 3.5Å; E192-S196 WeakPolarHBondContact OE2-CA 3.46Å; E192-S196 VanDerWaalsContact OE2-CB 3.23Å; E192-S196 WeakPolarHBondContact OE2-CB 3.25Å; E192-S196 PolarHBondContact OE2-N 3.32Å; E192-S196 PolarHBondContact OE2-OG 2.95Å; G194-S196 VanDerWaalsContact C-N 3.29Å; G194-S196 PolarHBondContact O-N 3.2Å; S196-S319 VanDerWaalsContact O-CB 3.27Å; S196-S319 WeakPolarHBondContact O-CB 3.24Å; S196-S319 PolarHBondContact O-OG 3.41Å; S196-S319 VanDerWaalsContact O-OG 3.14Å; S196-S319 WeakPolarHBondContact OG-CA 3.39Å; S196-S319 WeakPolarHBondContact OG-CB 3.47Å; S196-S319 PolarHBondContact OG-OG 2.94Å
197S98Very high97.6Very high7 Ų725.4 Ų25.45%0.04916%0.16CC..  trans-57.7150.9173.964.20000112.5E192 G194 H231E192-S197 WeakPolarHBondContact O-CA 3.42Å; E192-S197 WeakPolarHBondContact O-CB 3.36Å; G194-S197 VanDerWaalsContact O-CB 3.28Å; G194-S197 WeakPolarHBondContact O-CB 3.42Å; G194-S197 PolarHBondContact O-N 2.78Å; G194-S197 VanDerWaalsContact O-N 3.14Å; G194-S197 PolarHBondContact O-OG 3.2Å; G194-S197 VanDerWaalsContact O-OG 3.07Å; S197-H231 PolarHBondContact O-CE1 2.89Å; S197-H231 PolarHBondContact O-NE2 3.24Å; S197-H231 PolarHBondContact OG-NE2 3.35Å
198V98.6Very high97.6Very high1 Ų128.1 Ų28.11%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-120117.3-171.9-172.20000111.1I189 I190 L200 L315 F316I189-V198 WeakPolarHBondContact CA-O 3.44Å; I190-V198 HydrophobicContact CG1-CB 4Å; I190-V198 PolarHBondContact N-O 3.4Å; I190-V198 PolarHBondContact O-N 2.96Å; V198-L200 HydrophobicContact CG1-CD2 4.21Å; V198-L315 HydrophobicContact CB-CB 4.46Å; V198-L315 HydrophobicContact CG1-CB 3.77Å; V198-L315 HydrophobicContact CG1-CD1 4.25Å; V198-L315 HydrophobicContact CG2-CB 3.85Å; V198-F316 HydrophobicContact CG2-CB 4.44Å
199P98.3Very high97.6Very high9 Ų928.2 Ų28.26%0.05820%0.197CC..EExtended strand (participates in β ladder)trans-80.9124.5173.733.6-32.4000110.5F170 I189 W201 H231F170-P199 HydrophobicContact CE2-CB 4.37Å; F170-P199 HydrophobicContact CZ-CB 4.25Å; I189-P199 HydrophobicContact CD1-CB 3.69Å; P199-W201 HydrophobicContact CB-CD2 4.46Å; P199-W201 HydrophobicContact CB-CZ2 4.14Å; P199-W201 HydrophobicContact CG-CZ2 4.33Å; P199-W201 PolarHBondContact O-N 2.56Å; P199-W201 VanDerWaalsContact O-N 3.13Å; P199-H231 HydrophobicContact CB-CB 4.05Å; P199-H231 HydrophobicContact CG-CB 3.94Å
200L98.1Very high97.5Very high2 Ų229.6 Ų29.61%0.0121%0.209CC..  trans-88.874.9178.2-58.3-171.9000111.2W188 I190 V198 S202 G203 V204 I306 L308 E312W188-L200 HydrophobicContact CB-CB 4.39Å; W188-L200 HydrophobicContact CB-CD1 4.08Å; W188-L200 HydrophobicContact CB-CG 4.41Å; W188-L200 PolarHBondContact O-N 2.97Å; I190-L200 HydrophobicContact CD1-CD1 4Å; I190-L200 HydrophobicContact CD1-CD2 3.83Å; I190-L200 HydrophobicContact CD1-CG 4.26Å; I190-L200 HydrophobicContact CG1-CD1 4.17Å; I190-L200 HydrophobicContact CG1-CD2 3.93Å; I190-L200 HydrophobicContact CG1-CG 4.09Å; I190-L200 HydrophobicContact CG2-CD1 3.83Å; I190-L200 HydrophobicContact CG2-CG 4.35Å; V198-L200 HydrophobicContact CG1-CD2 4.21Å; L200-S202 PolarHBondContact O-N 3.29Å; L200-G203 PolarHBondContact O-N 2.99Å; L200-V204 PolarHBondContact O-N 3.5Å; L200-I306 HydrophobicContact CD1-CD1 3.33Å; L200-I306 HydrophobicContact CD1-CG2 4.14Å; L200-L308 HydrophobicContact CD1-CD2 4.03Å; L200-L308 HydrophobicContact CD2-CD2 3.48Å; L200-L308 VanDerWaalsContact CD2-CD2 3.48Å; L200-L308 HydrophobicContact CG-CD2 4.41Å; L200-E312 HydrophobicContact CD2-CB 4.07Å; L200-E312 HydrophobicContact CD2-CG 4.01Å
201W97.9Very high97.5Very high18 Ų1830.4 Ų30.47%0.06821%0.213CC..G310 helixtrans-56.2-32.8178.8-65120000112.9F170 P199 G203 V204 K212 L218 W227 I230 H231 E312F170-W201 AromaticContact CE2-CH2 3.53Å; F170-W201 HydrophobicContact CE2-CH2 3.53Å; F170-W201 HydrophobicContact CE2-CZ2 4.13Å; F170-W201 AromaticContact CE2-CZ3 3.87Å; F170-W201 HydrophobicContact CE2-CZ3 3.87Å; F170-W201 AromaticContact CZ-CE3 3.93Å; F170-W201 HydrophobicContact CZ-CE3 3.93Å; F170-W201 AromaticContact CZ-CH2 3.6Å; F170-W201 HydrophobicContact CZ-CH2 3.6Å; F170-W201 HydrophobicContact CZ-CZ2 4.23Å; F170-W201 AromaticContact CZ-CZ3 3.44Å; F170-W201 HydrophobicContact CZ-CZ3 3.44Å; F170-W201 VanDerWaalsContact CZ-CZ3 3.44Å; P199-W201 HydrophobicContact CB-CD2 4.46Å; P199-W201 HydrophobicContact CB-CZ2 4.14Å; P199-W201 HydrophobicContact CG-CZ2 4.33Å; P199-W201 PolarHBondContact O-N 2.56Å; P199-W201 VanDerWaalsContact O-N 3.13Å; W201-G203 PolarHBondContact O-N 2.99Å; W201-V204 HydrophobicContact CE3-CG2 3.92Å; W201-V204 HydrophobicContact CZ3-CG2 4.45Å; W201-V204 PolarHBondContact O-N 2.86Å; W201-K212 HydrophobicContact CB-CD 4.29Å; W201-L218 HydrophobicContact CB-CD2 4.16Å; W201-L218 HydrophobicContact CD2-CD2 4.04Å; W201-L218 HydrophobicContact CE3-CD2 3.38Å; W201-L218 HydrophobicContact CE3-CG 4.36Å; W201-L218 HydrophobicContact CG-CD2 4.39Å; W201-L218 HydrophobicContact CZ3-CD2 4.08Å; W201-W227 HydrophobicContact CH2-CB 4.06Å; W201-W227 WeakPolarHBondContact CH2-O 3.24Å; W201-W227 HydrophobicContact CZ3-CB 4.12Å; W201-W227 HydrophobicContact CZ3-CE3 4.25Å; W201-I230 HydrophobicContact CH2-CB 4.44Å; W201-H231 HydrophobicContact CZ2-CB 4.2Å; W201-E312 PolarHBondContact N-OE1 3.49Å; W201-E312 VanDerWaalsContact N-OE1 3.1Å
202S97.1Very high97.4Very high46 Ų4632.8 Ų32.832%0.32222%0.224SC..G310 helixtrans-60.4-26.917563.50000113.7L200 E312L200-S202 PolarHBondContact O-N 3.29Å; S202-E312 WeakPolarHBondContact CB-OE1 3.41Å; S202-E312 WeakPolarHBondContact CB-OE2 3.39Å; S202-E312 PolarHBondContact N-OE1 2.93Å; S202-E312 VanDerWaalsContact OG-CD 3.24Å; S202-E312 PolarHBondContact OG-OE1 3.37Å; S202-E312 PolarHBondContact OG-OE2 2.85Å
203G96.7Very high97.3Very high29 Ų2938 Ų3830%0.29926%0.256SS..G310 helixtrans-99.7-2.7-17900000114.9L200 W201 N205L200-G203 PolarHBondContact O-N 2.99Å; W201-G203 PolarHBondContact O-N 2.99Å; G203-N205 PolarHBondContact O-N 3.37Å; G203-N205 PolarHBondContact O-ND2 2.98Å
204V98.3Very high97.2Very high0 Ų042.5 Ų42.50%028%0.281CS..  trans-71.7124.6-177.2-178.90000110.4F170 I174 H186 L200 W201 L211F170-V204 HydrophobicContact CE1-CG2 3.78Å; F170-V204 HydrophobicContact CZ-CG2 4.08Å; I174-V204 HydrophobicContact CD1-CG1 3.93Å; H186-V204 CarbonylContact O-C 3.59Å; H186-V204 VanDerWaalsContact O-CA 3.29Å; H186-V204 WeakPolarHBondContact O-CA 3.34Å; L200-V204 PolarHBondContact O-N 3.5Å; W201-V204 HydrophobicContact CE3-CG2 3.92Å; W201-V204 HydrophobicContact CZ3-CG2 4.45Å; W201-V204 PolarHBondContact O-N 2.86Å; V204-L211 HydrophobicContact CG1-CB 4.27Å; V204-L211 HydrophobicContact CG1-CD1 4.42Å; V204-L211 HydrophobicContact CG1-CD2 3.86Å; V204-L211 HydrophobicContact CG1-CG 4.41Å; V204-L211 PolarHBondContact O-N 3.34Å
205N98.7Very high97.4Very high35 Ų3543.6 Ų43.619%0.18728%0.282CS..EExtended strand (participates in β ladder)trans-153159.1-177.37291.3000113.2H186 G203 G208 V209H186-N205 WeakPolarHBondContact CB-ND2 3.29Å; H186-N205 WeakPolarHBondContact CB-O 3.25Å; H186-N205 PolarHBondContact CD2-OD1 3.26Å; H186-N205 PolarHBondContact N-O 3.29Å; H186-N205 PolarHBondContact O-N 2.92Å; G203-N205 PolarHBondContact O-N 3.37Å; G203-N205 PolarHBondContact O-ND2 2.98Å; N205-G208 WeakPolarHBondContact OD1-CA 3.49Å; N205-G208 PolarHBondContact OD1-N 3.08Å; N205-V209 VanDerWaalsContact CA-O 3.22Å; N205-V209 WeakPolarHBondContact CA-O 3.46Å; N205-V209 VanDerWaalsContact CB-O 3.26Å; N205-V209 WeakPolarHBondContact CB-O 3.4Å
206V98.7Very high97.5Very high36 Ų3643.9 Ų43.922%0.21829%0.289CS..EExtended strand (participates in β ladder)trans-125.9127.1166.3175.60000107.5L178 G208 V209 L211L178-V206 HydrophobicContact CD1-CG2 3.83Å; V206-G208 PolarHBondContact O-N 3.32Å; V206-G208 VanDerWaalsContact O-N 3.1Å; V206-V209 PolarHBondContact N-O 2.99Å; V206-V209 WeakPolarHBondContact O-CB 3.33Å; V206-V209 PolarHBondContact O-N 3Å; V206-L211 HydrophobicContact CG2-CD1 4.34Å
207A98Very high97.4Very high91 Ų9147.9 Ų47.975%0.75230%0.302SS*.THydrogen-bonded Turntrans50.932.6-17600000114V209A207-V209 VanDerWaalsContact C-N 3.28Å; A207-V209 PolarHBondContact O-N 3.45Å
208G97.8Very high97.3Very high61 Ų6147.7 Ų47.763%0.62930%0.301SS*.THydrogen-bonded Turntrans81.3-5.1-178.100000115.3N205 V206 A210N205-G208 WeakPolarHBondContact OD1-CA 3.49Å; N205-G208 PolarHBondContact OD1-N 3.08Å; V206-G208 PolarHBondContact O-N 3.32Å; V206-G208 VanDerWaalsContact O-N 3.1Å; G208-A210 PolarHBondContact O-N 2.95Å
209V98.4Very high96.9Very high81 Ų8148.1 Ų48.149%0.49131%0.306SS..EExtended strand (participates in β ladder)trans-80.8111.4174.3-175.90000109N205 V206 A207 L211 L214N205-V209 VanDerWaalsContact CA-O 3.22Å; N205-V209 WeakPolarHBondContact CA-O 3.46Å; N205-V209 VanDerWaalsContact CB-O 3.26Å; N205-V209 WeakPolarHBondContact CB-O 3.4Å; V206-V209 PolarHBondContact N-O 2.99Å; V206-V209 WeakPolarHBondContact O-CB 3.33Å; V206-V209 PolarHBondContact O-N 3Å; A207-V209 VanDerWaalsContact C-N 3.28Å; A207-V209 PolarHBondContact O-N 3.45Å; V209-L211 PolarHBondContact O-N 3.49Å; V209-L214 HydrophobicContact CG1-CD1 4.02Å; V209-L214 HydrophobicContact CG1-CD2 4.4Å; V209-L214 HydrophobicContact CG1-CG 4.31Å
210A98Very high96.7Very high30 Ų3049.4 Ų49.425%0.24831%0.313CS..EExtended strand (participates in β ladder)trans-70.2123-178.500000111.3G208 K212 T213 L214G208-A210 PolarHBondContact O-N 2.95Å; A210-K212 VanDerWaalsContact C-N 3.29Å; A210-K212 PolarHBondContact O-N 2.88Å; A210-T213 WeakPolarHBondContact O-CB 3.34Å; A210-T213 PolarHBondContact O-N 2.64Å; A210-T213 VanDerWaalsContact O-N 3.12Å; A210-L214 PolarHBondContact O-N 2.65Å
211L97.7Very high96.4Very high16 Ų1656.1 Ų56.18%0.08435%0.349CS..Hα-helixtrans-64.7-35.9-178.8-92.568.6000111.4L178 V204 V206 V209 T213 L214 D215 L218 W227L178-L211 HydrophobicContact CD1-CD2 4.29Å; V204-L211 HydrophobicContact CG1-CB 4.27Å; V204-L211 HydrophobicContact CG1-CD1 4.42Å; V204-L211 HydrophobicContact CG1-CD2 3.86Å; V204-L211 HydrophobicContact CG1-CG 4.41Å; V204-L211 PolarHBondContact O-N 3.34Å; V206-L211 HydrophobicContact CG2-CD1 4.34Å; V209-L211 PolarHBondContact O-N 3.49Å; L211-T213 PolarHBondContact O-N 2.8Å; L211-L214 WeakPolarHBondContact O-CB 3.39Å; L211-L214 PolarHBondContact O-N 3.47Å; L211-D215 PolarHBondContact O-N 3.07Å; L211-L218 HydrophobicContact CB-CD1 3.82Å; L211-L218 HydrophobicContact CB-CD2 4.39Å; L211-L218 HydrophobicContact CD2-CD1 4.22Å; L211-W227 HydrophobicContact CD2-CH2 3.63Å; L211-W227 HydrophobicContact CD2-CZ2 4.16Å; L211-W227 HydrophobicContact CD2-CZ3 3.84Å
212K95.5Very high96.1Very high50 Ų5058.4 Ų58.422%0.21737%0.368CS..Hα-helixtrans-68.4-16.9177-160.3160.5-174.21630113.8W201 A210 D215 P216W201-K212 HydrophobicContact CB-CD 4.29Å; A210-K212 VanDerWaalsContact C-N 3.29Å; A210-K212 PolarHBondContact O-N 2.88Å; K212-D215 WeakPolarHBondContact CA-O 3.32Å; K212-D215 CarbonylContact O-C 3.34Å; K212-P216 VanDerWaalsContact O-CA 3.31Å; K212-P216 WeakPolarHBondContact O-CA 3.45Å
213T96.1Very high95.9Very high114 Ų11456.3 Ų56.370%0.69935%0.353SS*.Hα-helixtrans-79.5-31.9170.4-58.50000111.6A210 L211A210-T213 WeakPolarHBondContact O-CB 3.34Å; A210-T213 PolarHBondContact O-N 2.64Å; A210-T213 VanDerWaalsContact O-N 3.12Å; L211-T213 PolarHBondContact O-N 2.8Å
214L96.6Very high95.8Very high131 Ų13163.9 Ų63.969%0.68638%0.378SS*.Hα-helixtrans-76.8-41.3176.3-58.8177.9000111.3V209 A210 L211V209-L214 HydrophobicContact CG1-CD1 4.02Å; V209-L214 HydrophobicContact CG1-CD2 4.4Å; V209-L214 HydrophobicContact CG1-CG 4.31Å; A210-L214 PolarHBondContact O-N 2.65Å; L211-L214 WeakPolarHBondContact O-CB 3.39Å; L211-L214 PolarHBondContact O-N 3.47Å
215D96.3Very high95.7Very high43 Ų4369.3 Ų69.323%0.2340%0.403CS..  trans-128.5102170.7-174.5-1.1000110.9L211 K212 K217 L218L211-D215 PolarHBondContact O-N 3.07Å; K212-D215 WeakPolarHBondContact CA-O 3.32Å; K212-D215 CarbonylContact O-C 3.34Å; D215-K217 PolarHBondContact O-N 2.82Å; D215-K217 VanDerWaalsContact O-N 3.1Å; D215-K217 WeakPolarHBondContact OD1-CB 3.5Å; D215-K217 PolarHBondContact OD1-N 3.12Å; D215-L218 HydrophobicContact CB-CB 4.31Å; D215-L218 WeakPolarHBondContact O-CB 3.4Å; D215-L218 PolarHBondContact O-N 2.66Å
216P95.1Very high95.5Very high95 Ų9572.1 Ų72.162%0.61742%0.415SS*.THydrogen-bonded Turntrans-59.1-20176.8-26.736.2000114.8K212K212-P216 VanDerWaalsContact O-CA 3.31Å; K212-P216 WeakPolarHBondContact O-CA 3.45Å
217K95.5Very high95.4Very high110 Ų11070.9 Ų70.948%0.47841%0.407SS..THydrogen-bonded Turntrans-89.8-3.6179.9-61.5179.4176-174.50113D215 G219 T220 D223D215-K217 PolarHBondContact O-N 2.82Å; D215-K217 VanDerWaalsContact O-N 3.1Å; D215-K217 WeakPolarHBondContact OD1-CB 3.5Å; D215-K217 PolarHBondContact OD1-N 3.12Å; K217-G219 PolarHBondContact O-N 2.86Å; K217-T220 WeakPolarHBondContact O-CB 3.5Å; K217-T220 WeakPolarHBondContact O-CG2 3.43Å; K217-T220 PolarHBondContact O-N 3.32Å; K217-T220 PolarHBondContact O-OG1 3.44Å; K217-D223 WeakPolarHBondContact O-CB 3.38Å
218L95.2Very high95.2Very high3 Ų367.8 Ų67.82%0.01638%0.377CS..THydrogen-bonded Turntrans-52.6123.3-176.9-175.9128.6000112W201 L211 D215 W227W201-L218 HydrophobicContact CB-CD2 4.16Å; W201-L218 HydrophobicContact CD2-CD2 4.04Å; W201-L218 HydrophobicContact CE3-CD2 3.38Å; W201-L218 HydrophobicContact CE3-CG 4.36Å; W201-L218 HydrophobicContact CG-CD2 4.39Å; W201-L218 HydrophobicContact CZ3-CD2 4.08Å; L211-L218 HydrophobicContact CB-CD1 3.82Å; L211-L218 HydrophobicContact CB-CD2 4.39Å; L211-L218 HydrophobicContact CD2-CD1 4.22Å; D215-L218 HydrophobicContact CB-CB 4.31Å; D215-L218 WeakPolarHBondContact O-CB 3.4Å; D215-L218 PolarHBondContact O-N 2.66Å; L218-W227 HydrophobicContact CD1-CB 4.46Å; L218-W227 HydrophobicContact CD1-CD2 3.74Å; L218-W227 HydrophobicContact CD1-CE3 4.3Å; L218-W227 HydrophobicContact CD1-CG 3.79Å; L218-W227 HydrophobicContact CG-CB 4.11Å; L218-W227 HydrophobicContact CG-CD2 4.32Å; L218-W227 HydrophobicContact CG-CG 3.96Å
219G91.9Very high95.2Very high11 Ų1168 Ų6811%0.11336%0.363CS..THydrogen-bonded Turntrans81.99.1179.900000115.3K217 D223K217-G219 PolarHBondContact O-N 2.86Å; G219-D223 PolarHBondContact N-OD2 2.85Å
220T93.4Very high95.1Very high35 Ų3564.5 Ų64.522%0.21534%0.342CS..SBendtrans-103162.9172.273.50000111.2K217 S222 D223K217-T220 WeakPolarHBondContact O-CB 3.5Å; K217-T220 WeakPolarHBondContact O-CG2 3.43Å; K217-T220 PolarHBondContact O-N 3.32Å; K217-T220 PolarHBondContact O-OG1 3.44Å; T220-S222 PolarHBondContact O-N 3.2Å; T220-S222 PolarHBondContact OG1-N 3.47Å; T220-S222 PolarHBondContact OG1-OG 3.13Å; T220-D223 WeakPolarHBondContact O-CB 3.48Å; T220-D223 PolarHBondContact O-N 3.33Å
221D91.1Very high95.1Very high143 Ų14364.3 Ų64.377%0.76534%0.336SS*.THydrogen-bonded Turntrans-58.4-21.3174.6-65-45.4000113.3E228D221-E228 WeakPolarHBondContact CA-OE2 3.28Å; D221-E228 PolarHBondContact N-OE2 2.84Å
222S92.2Very high95.1Very high67 Ų6767.9 Ų67.947%0.46935%0.351SS..THydrogen-bonded Turntrans-89-0.8-178.4750000114.4T220T220-S222 PolarHBondContact O-N 3.2Å; T220-S222 PolarHBondContact OG1-N 3.47Å; T220-S222 PolarHBondContact OG1-OG 3.13Å
223D93.7Very high95.2Very high1 Ų169.5 Ų69.51%0.00536%0.359CS..  trans-68.8124.4175.6-178.4-9.2000111.1K217 G219 T220 E225 H226 W227K217-D223 WeakPolarHBondContact O-CB 3.38Å; G219-D223 PolarHBondContact N-OD2 2.85Å; T220-D223 WeakPolarHBondContact O-CB 3.48Å; T220-D223 PolarHBondContact O-N 3.33Å; D223-E225 VanDerWaalsContact C-N 3.33Å; D223-E225 WeakPolarHBondContact OD1-CA 3.39Å; D223-E225 PolarHBondContact OD1-N 2.8Å; D223-H226 PolarHBondContact O-N 2.95Å; D223-H226 PolarHBondContact O-ND1 3.43Å; D223-H226 PolarHBondContact OD1-N 3.32Å; D223-W227 WeakPolarHBondContact OD2-CB 3.31Å; D223-W227 PolarHBondContact OD2-N 2.95Å
224K93.9Very high95.2Very high189 Ų18964.1 Ų64.182%0.82233%0.326SS*.THydrogen-bonded Turntrans-73.9-25.1-180-66.6-176.4178.9-179.80113.3
225E95.5Very high95.1Very high113 Ų11359.5 Ų59.553%0.52830%0.302SS..THydrogen-bonded Turntrans-93.6-1.5178.6-65-174-161.400112.2K177 D223 W227K177-E225 PolarHBondContact NZ-O 3.34Å; K177-E225 IonicContact NZ-OE2 3.17Å; D223-E225 VanDerWaalsContact C-N 3.33Å; D223-E225 WeakPolarHBondContact OD1-CA 3.39Å; D223-E225 PolarHBondContact OD1-N 2.8Å; E225-W227 PolarHBondContact O-N 3.49Å; E225-W227 PolarHBondContact OE2-NE1 3.2Å
226H95.2Very high94.9Very high95 Ų9562.9 Ų62.944%0.4432%0.316SS..  trans49.949.7177.5-55.4-66.2000113.3D223 E228 N229D223-H226 PolarHBondContact O-N 2.95Å; D223-H226 PolarHBondContact O-ND1 3.43Å; D223-H226 PolarHBondContact OD1-N 3.32Å; H226-E228 PolarHBondContact O-N 3.23Å; H226-N229 WeakPolarHBondContact CB-ND2 3.29Å; H226-N229 VanDerWaalsContact O-CB 3.3Å; H226-N229 WeakPolarHBondContact O-CB 3.37Å; H226-N229 PolarHBondContact O-N 3.34Å
227W96.6Very high94.7Very high9 Ų959.4 Ų59.43%0.03429%0.294CS..THydrogen-bonded Turntrans-58.7-29.2178.5-76.480.8000112.7I174 K177 L178 W201 L211 L218 D223 E225 N229 I230I174-W227 HydrophobicContact CG1-CZ3 4.13Å; I174-W227 HydrophobicContact CG2-CZ3 4.17Å; K177-W227 HydrophobicContact CD-CD2 4.2Å; K177-W227 HydrophobicContact CD-CE3 4.27Å; K177-W227 HydrophobicContact CD-CH2 3.88Å; K177-W227 HydrophobicContact CD-CZ2 3.81Å; K177-W227 HydrophobicContact CD-CZ3 4.12Å; K177-W227 HydrophobicContact CG-CH2 4.32Å; K177-W227 HydrophobicContact CG-CZ2 4.4Å; L178-W227 HydrophobicContact CD1-CH2 4.19Å; L178-W227 HydrophobicContact CD2-CH2 3.78Å; L178-W227 HydrophobicContact CD2-CZ2 4.11Å; L178-W227 HydrophobicContact CG-CH2 3.92Å; W201-W227 HydrophobicContact CH2-CB 4.06Å; W201-W227 WeakPolarHBondContact CH2-O 3.24Å; W201-W227 HydrophobicContact CZ3-CB 4.12Å; W201-W227 HydrophobicContact CZ3-CE3 4.25Å; L211-W227 HydrophobicContact CD2-CH2 3.63Å; L211-W227 HydrophobicContact CD2-CZ2 4.16Å; L211-W227 HydrophobicContact CD2-CZ3 3.84Å; L218-W227 HydrophobicContact CD1-CB 4.46Å; L218-W227 HydrophobicContact CD1-CD2 3.74Å; L218-W227 HydrophobicContact CD1-CE3 4.3Å; L218-W227 HydrophobicContact CD1-CG 3.79Å; L218-W227 HydrophobicContact CG-CB 4.11Å; L218-W227 HydrophobicContact CG-CD2 4.32Å; L218-W227 HydrophobicContact CG-CG 3.96Å; D223-W227 WeakPolarHBondContact OD2-CB 3.31Å; D223-W227 PolarHBondContact OD2-N 2.95Å; E225-W227 PolarHBondContact O-N 3.49Å; E225-W227 PolarHBondContact OE2-NE1 3.2Å; W227-N229 PolarHBondContact O-N 3.43Å; W227-N229 VanDerWaalsContact O-N 3.09Å; W227-I230 HydrophobicContact CD2-CD1 4.39Å; W227-I230 HydrophobicContact CE3-CD1 3.53Å; W227-I230 HydrophobicContact CZ3-CD1 3.78Å; W227-I230 VanDerWaalsContact O-CB 3.25Å; W227-I230 WeakPolarHBondContact O-CB 3.38Å; W227-I230 PolarHBondContact O-N 3.02Å
228E94.2Very high94.3Very high27 Ų2755.4 Ų55.413%0.12628%0.281CS..Hα-helixtrans-52.2-29.6171.257.4168.4-129.500114.2D221 H226 I230 H231 K232D221-E228 WeakPolarHBondContact CA-OE2 3.28Å; D221-E228 PolarHBondContact N-OE2 2.84Å; H226-E228 PolarHBondContact O-N 3.23Å; E228-I230 PolarHBondContact O-N 2.81Å; E228-H231 PolarHBondContact O-N 3.47Å; E228-H231 VanDerWaalsContact O-N 3.07Å; E228-K232 PolarHBondContact O-N 3.3Å; E228-K232 VanDerWaalsContact O-N 3.12Å; E228-K232 IonicContact OE1-NZ 2.63Å; E228-K232 PolarHBondContact OE1-NZ 3.36Å
229N96.5Very high94.1Very high64 Ų6461.8 Ų61.834%0.34231%0.306SS..Hα-helixtrans-65-23.5177.6-71.8-20.6000112H226 W227 Q233H226-N229 WeakPolarHBondContact CB-ND2 3.29Å; H226-N229 VanDerWaalsContact O-CB 3.3Å; H226-N229 WeakPolarHBondContact O-CB 3.37Å; H226-N229 PolarHBondContact O-N 3.34Å; W227-N229 PolarHBondContact O-N 3.43Å; W227-N229 VanDerWaalsContact O-N 3.09Å; N229-Q233 WeakPolarHBondContact O-CB 3.24Å; N229-Q233 VanDerWaalsContact O-CG 3.27Å; N229-Q233 WeakPolarHBondContact O-CG 3.4Å; N229-Q233 PolarHBondContact O-N 2.88Å; N229-Q233 PolarHBondContact O-NE2 2.61Å
230I97.9Very high94.1Very high8 Ų867 Ų674%0.04133%0.327CS..Hα-helixtrans-64-46173-65.6-178.3000109.9F170 L173 I174 K177 W201 W227 E228 Q233 V234F170-I230 HydrophobicContact CD2-CG2 3.58Å; F170-I230 HydrophobicContact CE2-CB 4.43Å; F170-I230 HydrophobicContact CE2-CG2 3.71Å; L173-I230 HydrophobicContact CB-CG2 3.59Å; L173-I230 HydrophobicContact CD1-CG2 3.95Å; L173-I230 HydrophobicContact CG-CG2 4.44Å; I174-I230 HydrophobicContact CG1-CD1 4.14Å; I174-I230 HydrophobicContact CG1-CG2 4.44Å; K177-I230 HydrophobicContact CD-CD1 3.96Å; W201-I230 HydrophobicContact CH2-CB 4.44Å; W227-I230 HydrophobicContact CD2-CD1 4.39Å; W227-I230 HydrophobicContact CE3-CD1 3.53Å; W227-I230 HydrophobicContact CZ3-CD1 3.78Å; W227-I230 VanDerWaalsContact O-CB 3.25Å; W227-I230 WeakPolarHBondContact O-CB 3.38Å; W227-I230 PolarHBondContact O-N 3.02Å; E228-I230 PolarHBondContact O-N 2.81Å; I230-Q233 WeakPolarHBondContact O-CB 3.49Å; I230-Q233 PolarHBondContact O-N 3.34Å; I230-V234 WeakPolarHBondContact O-CG2 3.25Å; I230-V234 PolarHBondContact O-N 3.32Å
231H97.6Very high94.1Very high26 Ų2668.4 Ų68.412%0.1233%0.333CS..Hα-helixtrans-67.7-39.6178.1177.2-123.4000111.8S197 P199 W201 E228 Q233 V234 I235S197-H231 PolarHBondContact O-CE1 2.89Å; S197-H231 PolarHBondContact O-NE2 3.24Å; S197-H231 PolarHBondContact OG-NE2 3.35Å; P199-H231 HydrophobicContact CB-CB 4.05Å; P199-H231 HydrophobicContact CG-CB 3.94Å; W201-H231 HydrophobicContact CZ2-CB 4.2Å; E228-H231 PolarHBondContact O-N 3.47Å; E228-H231 VanDerWaalsContact O-N 3.07Å; H231-Q233 VanDerWaalsContact C-N 3.28Å; H231-Q233 PolarHBondContact O-N 2.82Å; H231-V234 WeakPolarHBondContact O-CB 3.41Å; H231-V234 PolarHBondContact O-N 3.17Å; H231-I235 VanDerWaalsContact CE1-CD1 3.46Å; H231-I235 WeakPolarHBondContact CE1-CD1 3.23Å; H231-I235 PolarHBondContact O-N 3.47Å; H231-I235 VanDerWaalsContact O-N 3.07Å
232K96.6Very high94Very high92 Ų9265.4 Ų65.440%0.432%0.316SS..Hα-helixtrans-55.8-43.2171.5-66.1173.1-177.3164.10111.4E228 I235 Q236E228-K232 PolarHBondContact O-N 3.3Å; E228-K232 VanDerWaalsContact O-N 3.12Å; E228-K232 IonicContact OE1-NZ 2.63Å; E228-K232 PolarHBondContact OE1-NZ 3.36Å; K232-I235 PolarHBondContact O-N 2.96Å; K232-Q236 WeakPolarHBondContact O-CB 3.39Å; K232-Q236 VanDerWaalsContact O-CG 3.28Å; K232-Q236 WeakPolarHBondContact O-CG 3.38Å; K232-Q236 PolarHBondContact O-N 3.35Å
233Q97.3Very high94.1Very high84 Ų8471.2 Ų71.239%0.39333%0.333SS..Hα-helixtrans-65.5-37.2174.5-76.9173.473.200112.9L173 N229 I230 H231 I235 Q236 S237L173-Q233 HydrophobicContact CD1-CB 3.7Å; N229-Q233 WeakPolarHBondContact O-CB 3.24Å; N229-Q233 VanDerWaalsContact O-CG 3.27Å; N229-Q233 WeakPolarHBondContact O-CG 3.4Å; N229-Q233 PolarHBondContact O-N 2.88Å; N229-Q233 PolarHBondContact O-NE2 2.61Å; I230-Q233 WeakPolarHBondContact O-CB 3.49Å; I230-Q233 PolarHBondContact O-N 3.34Å; H231-Q233 VanDerWaalsContact C-N 3.28Å; H231-Q233 PolarHBondContact O-N 2.82Å; Q233-I235 PolarHBondContact O-N 3.13Å; Q233-Q236 PolarHBondContact O-N 3.49Å; Q233-S237 WeakPolarHBondContact O-CA 3.45Å; Q233-S237 WeakPolarHBondContact O-CB 3.21Å; Q233-S237 PolarHBondContact O-N 2.76Å; Q233-S237 PolarHBondContact O-OG 3.12Å
234V97.3Very high94.1Very high0 Ų077.7 Ų77.70%037%0.367CS..Hα-helixtrans-59.2-47.4174.7172.10000111D166 R169 F170 L173 I230 H231 S237D166-V234 HydrophobicContact CB-CG1 3.84Å; R169-V234 HydrophobicContact CB-CG1 4.31Å; R169-V234 HydrophobicContact CB-CG2 4.11Å; F170-V234 HydrophobicContact CB-CG2 3.91Å; F170-V234 HydrophobicContact CD2-CG2 4.05Å; L173-V234 HydrophobicContact CD1-CG2 3.91Å; I230-V234 WeakPolarHBondContact O-CG2 3.25Å; I230-V234 PolarHBondContact O-N 3.32Å; H231-V234 WeakPolarHBondContact O-CB 3.41Å; H231-V234 PolarHBondContact O-N 3.17Å; V234-S237 WeakPolarHBondContact O-CB 3.36Å; V234-S237 PolarHBondContact O-N 3.29Å
235I93.8Very high94.2Very high35 Ų3572.6 Ų72.618%0.17935%0.345CS..Hα-helixtrans-61.8-48.3176.3-65.4168.4000110H231 K232 Q233 S237 Y239H231-I235 VanDerWaalsContact CE1-CD1 3.46Å; H231-I235 WeakPolarHBondContact CE1-CD1 3.23Å; H231-I235 PolarHBondContact O-N 3.47Å; H231-I235 VanDerWaalsContact O-N 3.07Å; K232-I235 PolarHBondContact O-N 2.96Å; Q233-I235 PolarHBondContact O-N 3.13Å; I235-S237 VanDerWaalsContact C-N 3.28Å; I235-S237 PolarHBondContact O-N 3.19Å; I235-Y239 HydrophobicContact CG2-CE2 4.41Å; I235-Y239 WeakPolarHBondContact O-CD2 2.78Å
236Q93.1Very high94Very high114 Ų11469.2 Ų69.253%0.53334%0.34SS..Hα-helixtrans-70-21.6-176.8-71.4177.6-2.200114K232 Q233 A238 Y239 E240K232-Q236 WeakPolarHBondContact O-CB 3.39Å; K232-Q236 VanDerWaalsContact O-CG 3.28Å; K232-Q236 WeakPolarHBondContact O-CG 3.38Å; K232-Q236 PolarHBondContact O-N 3.35Å; Q233-Q236 PolarHBondContact O-N 3.49Å; Q236-A238 VanDerWaalsContact C-N 3.27Å; Q236-A238 PolarHBondContact O-N 3.21Å; Q236-Y239 PolarHBondContact O-N 3.07Å; Q236-E240 PolarHBondContact O-N 3.46Å
237S91.1Very high93.8Very high22 Ų2268.9 Ų68.915%0.15434%0.336CS..Hα-helixtrans-53.9-41.1-175.3-70.40000112.9Q233 V234 I235 I241Q233-S237 WeakPolarHBondContact O-CA 3.45Å; Q233-S237 WeakPolarHBondContact O-CB 3.21Å; Q233-S237 PolarHBondContact O-N 2.76Å; Q233-S237 PolarHBondContact O-OG 3.12Å; V234-S237 WeakPolarHBondContact O-CB 3.36Å; V234-S237 PolarHBondContact O-N 3.29Å; I235-S237 VanDerWaalsContact C-N 3.28Å; I235-S237 PolarHBondContact O-N 3.19Å; S237-I241 WeakPolarHBondContact O-CB 3.38Å; S237-I241 WeakPolarHBondContact O-CD1 3.33Å; S237-I241 WeakPolarHBondContact O-CG1 3.46Å; S237-I241 PolarHBondContact O-N 3.3Å; S237-I241 VanDerWaalsContact O-N 3.14Å
238A87.2Confident93.6Very high26 Ų2670.3 Ų70.322%0.21535%0.345CS..Hα-helixtrans-66.7-47.417900000111.2Q236 I241 I242Q236-A238 VanDerWaalsContact C-N 3.27Å; Q236-A238 PolarHBondContact O-N 3.21Å; A238-I241 PolarHBondContact O-N 2.98Å; A238-I242 WeakPolarHBondContact O-CB 3.09Å; A238-I242 WeakPolarHBondContact O-CD1 3.27Å; A238-I242 WeakPolarHBondContact O-CG1 3.12Å; A238-I242 PolarHBondContact O-N 2.89Å
239Y89.3Confident93.7Very high136 Ų13669.3 Ų69.353%0.53334%0.342SS..Hα-helixtrans-63.6-43.3-179.5-59.9-76.6000112.1D195 I235 Q236 I242 K243D195-Y239 WeakPolarHBondContact OD1-CE2 3.33Å; D195-Y239 PolarHBondContact OD1-OH 3.17Å; D195-Y239 PolarHBondContact OD2-OH 3.41Å; I235-Y239 HydrophobicContact CG2-CE2 4.41Å; I235-Y239 WeakPolarHBondContact O-CD2 2.78Å; Q236-Y239 PolarHBondContact O-N 3.07Å; Y239-I242 PolarHBondContact O-N 3.41Å; Y239-K243 WeakPolarHBondContact O-CB 3.43Å; Y239-K243 PolarHBondContact O-N 3.16Å
240E93.2Very high93.8Very high120 Ų12073.9 Ų73.956%0.56135%0.354SS*.Hα-helixtrans-64.1-47.7178.4-174.7174.7-167.200111.6Q236 I242 K243 L244Q236-E240 PolarHBondContact O-N 3.46Å; E240-I242 VanDerWaalsContact C-N 3.33Å; E240-I242 PolarHBondContact O-N 2.64Å; E240-K243 WeakPolarHBondContact O-CB 3.48Å; E240-K243 PolarHBondContact O-N 3.48Å; E240-L244 HydrophobicContact CG-CD1 3.99Å; E240-L244 WeakPolarHBondContact O-CG 3.4Å; E240-L244 PolarHBondContact O-N 3.06Å
241I92.7Very high93.9Very high66 Ų6675.8 Ų75.834%0.33837%0.371SS..Hα-helixtrans-63.8-39.9177.6-65.7166.7000110.9S237 A238 K243 L244 K245 T248S237-I241 WeakPolarHBondContact O-CB 3.38Å; S237-I241 WeakPolarHBondContact O-CD1 3.33Å; S237-I241 WeakPolarHBondContact O-CG1 3.46Å; S237-I241 PolarHBondContact O-N 3.3Å; S237-I241 VanDerWaalsContact O-N 3.14Å; A238-I241 PolarHBondContact O-N 2.98Å; I241-K243 VanDerWaalsContact C-N 3.34Å; I241-L244 PolarHBondContact O-N 3.26Å; I241-K245 HydrophobicContact CG2-CB 4.48Å; I241-K245 WeakPolarHBondContact O-CB 3.34Å; I241-K245 PolarHBondContact O-N 3.16Å; I241-T248 HydrophobicContact CB-CG2 3.87Å; I241-T248 HydrophobicContact CD1-CG2 4.45Å; I241-T248 HydrophobicContact CG2-CG2 3.63Å
242I89.6Confident93.9Very high80 Ų8075.1 Ų75.141%0.4137%0.368SS..Hα-helixtrans-63.5-41.7175.6-70.6164.8000110.4A238 Y239 E240 L244 G246 T248A238-I242 WeakPolarHBondContact O-CB 3.09Å; A238-I242 WeakPolarHBondContact O-CD1 3.27Å; A238-I242 WeakPolarHBondContact O-CG1 3.12Å; A238-I242 PolarHBondContact O-N 2.89Å; Y239-I242 PolarHBondContact O-N 3.41Å; E240-I242 VanDerWaalsContact C-N 3.33Å; E240-I242 PolarHBondContact O-N 2.64Å; I242-L244 VanDerWaalsContact C-N 3.3Å; I242-L244 PolarHBondContact O-N 3.16Å; I242-G246 WeakPolarHBondContact O-CA 3.3Å; I242-G246 PolarHBondContact O-N 2.8Å; I242-T248 HydrophobicContact CG1-CG2 4.22Å
243K93.1Very high94Very high188 Ų18870.8 Ų70.882%0.81735%0.349SS*.Hα-helixtrans-61.1-39.2175.6-177.6-176.9176.9-175.40112.1Y239 E240 I241Y239-K243 WeakPolarHBondContact O-CB 3.43Å; Y239-K243 PolarHBondContact O-N 3.16Å; E240-K243 WeakPolarHBondContact O-CB 3.48Å; E240-K243 PolarHBondContact O-N 3.48Å; I241-K243 VanDerWaalsContact C-N 3.34Å
244L95.3Very high94.1Very high137 Ų13771.3 Ų71.372%0.71736%0.355SS*.Hα-helixtrans-83-38.2-176.3-67.3171.4000113.9E240 I241 I242E240-L244 HydrophobicContact CG-CD1 3.99Å; E240-L244 WeakPolarHBondContact O-CG 3.4Å; E240-L244 PolarHBondContact O-N 3.06Å; I241-L244 PolarHBondContact O-N 3.26Å; I242-L244 VanDerWaalsContact C-N 3.3Å; I242-L244 PolarHBondContact O-N 3.16Å
245K94.8Very high94.2Very high82 Ų8271.7 Ų71.736%0.35736%0.357SS..Hα-helixtrans-116.7-13.2-170.8-175-179.3174.1-170.60113.6I241 Y247 S249 W250I241-K245 HydrophobicContact CG2-CB 4.48Å; I241-K245 WeakPolarHBondContact O-CB 3.34Å; I241-K245 PolarHBondContact O-N 3.16Å; K245-Y247 VanDerWaalsContact C-N 3.29Å; K245-Y247 PolarHBondContact O-N 3.12Å; K245-S249 PolarHBondContact NZ-OG 3.09Å; K245-W250 VanDerWaalsContact NZ-NE1 3.2Å
246G91.6Very high94.4Very high42 Ų4270 Ų7043%0.43335%0.349SS..SBendtrans85.5-14-175.100000114.9I242I242-G246 WeakPolarHBondContact O-CA 3.3Å; I242-G246 PolarHBondContact O-N 2.8Å
247Y91.3Very high94.7Very high89 Ų8965.9 Ų65.935%0.34933%0.33SS..SBendtrans-167.4163.7178.656.1-88.9000111.7A30 K245A30-Y247 HydrophobicContact CB-CD2 3.57Å; A30-Y247 HydrophobicContact CB-CE2 3.53Å; A30-Y247 HydrophobicContact CB-CG 4.35Å; K245-Y247 VanDerWaalsContact C-N 3.29Å; K245-Y247 PolarHBondContact O-N 3.12Å
248T91.8Very high95Very high38 Ų3867.1 Ų67.123%0.23333%0.334CS..  trans-102.5148.6167.460.60000109.8I241 I242I241-T248 HydrophobicContact CB-CG2 3.87Å; I241-T248 HydrophobicContact CD1-CG2 4.45Å; I241-T248 HydrophobicContact CG2-CG2 3.63Å; I242-T248 HydrophobicContact CG1-CG2 4.22Å
249S97.4Very high95.6Very high7 Ų765.9 Ų65.95%0.04932%0.324CS..  trans-152.2-57.9-179.359.90000113.6A30 A34 K245 I252 G253A30-S249 WeakPolarHBondContact O-CB 3.16Å; A34-S249 VanDerWaalsContact CB-O 3.31Å; A34-S249 WeakPolarHBondContact CB-O 3.32Å; K245-S249 PolarHBondContact NZ-OG 3.09Å; S249-I252 WeakPolarHBondContact O-CG2 3.21Å; S249-I252 PolarHBondContact O-N 3.23Å; S249-G253 PolarHBondContact O-N 3.42Å
250W98.6Very high96Very high160 Ų16059.4 Ų59.461%0.60630%0.299SS*.Hα-helixtrans-64.1-51.1-168.4-54.9134.4000114A34 I37 K245 I252 G253 L254A34-W250 HydrophobicContact CB-CE3 3.83Å; A34-W250 HydrophobicContact CB-CZ3 4.08Å; I37-W250 HydrophobicContact CG2-CZ3 4.43Å; K245-W250 VanDerWaalsContact NZ-NE1 3.2Å; W250-I252 VanDerWaalsContact C-N 3.32Å; W250-I252 PolarHBondContact O-N 3.38Å; W250-G253 PolarHBondContact O-N 3.21Å; W250-L254 WeakPolarHBondContact O-CG 3.41Å; W250-L254 PolarHBondContact O-N 2.99Å
251A98.5Very high96.3Very high48 Ų4854 Ų5440%0.39728%0.276SS..Hα-helixtrans-64.1-37.8-177.300000112.3L165 S255L165-A251 HydrophobicContact CD1-CB 3.65Å; A251-S255 WeakPolarHBondContact O-CB 3.45Å; A251-S255 PolarHBondContact O-N 3.38Å
252I98.4Very high96.6Very high12 Ų1250.9 Ų50.96%0.06226%0.26CS..Hα-helixtrans-70.4-37.8174.8-175.360.1000111.7V31 V136 L165 S249 W250 L254 S255 V256V31-I252 HydrophobicContact CG1-CG1 4.32Å; V31-I252 HydrophobicContact CG1-CG2 3.96Å; V31-I252 HydrophobicContact CG2-CG2 4.05Å; V136-I252 HydrophobicContact CG1-CD1 4.06Å; V136-I252 HydrophobicContact CG1-CG1 3.74Å; L165-I252 HydrophobicContact CB-CD1 4.49Å; L165-I252 HydrophobicContact CD2-CB 3.96Å; L165-I252 HydrophobicContact CD2-CD1 4.13Å; S249-I252 WeakPolarHBondContact O-CG2 3.21Å; S249-I252 PolarHBondContact O-N 3.23Å; W250-I252 VanDerWaalsContact C-N 3.32Å; W250-I252 PolarHBondContact O-N 3.38Å; I252-L254 VanDerWaalsContact C-N 3.35Å; I252-L254 PolarHBondContact O-N 2.98Å; I252-S255 PolarHBondContact O-N 3.4Å; I252-V256 HydrophobicContact CD1-CG2 4.14Å; I252-V256 HydrophobicContact CG1-CG2 4.3Å; I252-V256 WeakPolarHBondContact O-CB 3.28Å; I252-V256 VanDerWaalsContact O-CG2 3.32Å; I252-V256 WeakPolarHBondContact O-CG2 3.42Å; I252-V256 PolarHBondContact O-N 3.31Å
253G98.8Very high97Very high0 Ų047.1 Ų47.10%024%0.24CC..Hα-helixtrans-59.4-43173.800000113.1S249 W250 V256 M257S249-G253 PolarHBondContact O-N 3.42Å; W250-G253 PolarHBondContact O-N 3.21Å; G253-V256 PolarHBondContact O-N 2.73Å; G253-M257 WeakPolarHBondContact O-CB 3.44Å; G253-M257 PolarHBondContact O-N 3.23Å
254L98.9Very high97.3Very high96 Ų9639.5 Ų39.550%0.50321%0.208SC..Hα-helixtrans-67.3-41.7174.6-67.4172.8000112.2W250 I252 M257 D258W250-L254 WeakPolarHBondContact O-CG 3.41Å; W250-L254 PolarHBondContact O-N 2.99Å; I252-L254 VanDerWaalsContact C-N 3.35Å; I252-L254 PolarHBondContact O-N 2.98Å; L254-M257 HydrophobicContact CB-CE 4.45Å; L254-M257 HydrophobicContact CD2-CE 3.83Å; L254-M257 PolarHBondContact O-N 3.42Å; L254-D258 PolarHBondContact O-N 2.78Å
255S98.9Very high97.4Very high8 Ų838.8 Ų38.86%0.05620%0.2CC..Hα-helixtrans-60.1-45.4175179.40000111.6N164 L165 A251 I252 D258 L259N164-S255 PolarHBondContact ND2-O 2.96Å; N164-S255 PolarHBondContact ND2-OG 3.3Å; L165-S255 PolarHBondContact N-OG 3.25Å; A251-S255 WeakPolarHBondContact O-CB 3.45Å; A251-S255 PolarHBondContact O-N 3.38Å; I252-S255 PolarHBondContact O-N 3.4Å; S255-D258 WeakPolarHBondContact O-CB 3.37Å; S255-D258 PolarHBondContact O-N 3.35Å; S255-L259 WeakPolarHBondContact O-CG 3.34Å; S255-L259 PolarHBondContact O-N 2.74Å; S255-L259 VanDerWaalsContact O-N 3.15Å
256V98.9Very high97.6Very high0 Ų038.2 Ų38.20%020%0.2CC..Hα-helixtrans-63.4-45.3176.7166.50000111.3C35 I93 L134 V136 I252 G253 D258 L259 V260C35-V256 HydrophobicContact CB-CG1 4.17Å; I93-V256 HydrophobicContact CD1-CG1 3.92Å; I93-V256 HydrophobicContact CG2-CG1 3.96Å; L134-V256 HydrophobicContact CD2-CG1 3.86Å; V136-V256 HydrophobicContact CG1-CG2 4.16Å; V136-V256 HydrophobicContact CG2-CG2 3.63Å; I252-V256 HydrophobicContact CD1-CG2 4.14Å; I252-V256 HydrophobicContact CG1-CG2 4.3Å; I252-V256 WeakPolarHBondContact O-CB 3.28Å; I252-V256 VanDerWaalsContact O-CG2 3.32Å; I252-V256 WeakPolarHBondContact O-CG2 3.42Å; I252-V256 PolarHBondContact O-N 3.31Å; G253-V256 PolarHBondContact O-N 2.73Å; V256-D258 VanDerWaalsContact C-N 3.27Å; V256-D258 PolarHBondContact O-N 2.9Å; V256-L259 PolarHBondContact O-N 2.88Å; V256-V260 HydrophobicContact CG1-CG2 4.13Å; V256-V260 WeakPolarHBondContact O-CB 3.3Å; V256-V260 WeakPolarHBondContact O-CG2 3.31Å; V256-V260 PolarHBondContact O-N 2.69Å
257M98.8Very high97.9Very high27 Ų2740.2 Ų40.213%0.13320%0.201CC..Hα-helixtrans-57.7-39.7175.4167.9-79.6-65.400112S38 I39 K42 L44 G253 L254 V260 G261S38-M257 WeakPolarHBondContact O-CG 3.38Å; I39-M257 HydrophobicContact CG1-CB 4.41Å; K42-M257 HydrophobicContact CB-CG 4.14Å; K42-M257 HydrophobicContact CB-SD 4.32Å; K42-M257 HydrophobicContact CD-SD 4.36Å; K42-M257 HydrophobicContact CG-CE 4.22Å; K42-M257 HydrophobicContact CG-CG 3.89Å; K42-M257 HydrophobicContact CG-SD 3.67Å; L44-M257 HydrophobicContact CD1-CG 3.92Å; G253-M257 WeakPolarHBondContact O-CB 3.44Å; G253-M257 PolarHBondContact O-N 3.23Å; L254-M257 HydrophobicContact CB-CE 4.45Å; L254-M257 HydrophobicContact CD2-CE 3.83Å; L254-M257 PolarHBondContact O-N 3.42Å; M257-V260 PolarHBondContact O-N 3.28Å; M257-G261 PolarHBondContact O-N 2.88Å
258D98.9Very high98.3Very high47 Ų4741.9 Ų41.925%0.25121%0.206SC..Hα-helixtrans-62.2-44.8176.5-176.957.2000111.8L254 S255 V256 G261 S262 R269 H271L254-D258 PolarHBondContact O-N 2.78Å; S255-D258 WeakPolarHBondContact O-CB 3.37Å; S255-D258 PolarHBondContact O-N 3.35Å; V256-D258 VanDerWaalsContact C-N 3.27Å; V256-D258 PolarHBondContact O-N 2.9Å; D258-G261 PolarHBondContact O-N 3.48Å; D258-S262 PolarHBondContact O-N 2.93Å; D258-R269 VanDerWaalsContact CG-NH2 3.34Å; D258-R269 PolarHBondContact O-NH2 2.85Å; D258-R269 IonicContact OD1-CZ 2.64Å; D258-R269 IonicContact OD1-NH1 3.86Å; D258-R269 PolarHBondContact OD1-NH1 3.37Å; D258-R269 IonicContact OD1-NH2 3.75Å; D258-R269 PolarHBondContact OD1-NH2 2.79Å; D258-R269 IonicContact OD2-NH2 2.8Å; D258-H271 IonicContact OD2-CE1 3.84Å; D258-H271 PolarHBondContact OD2-CE1 2.86Å; D258-H271 IonicContact OD2-ND1 2.67Å; D258-H271 PolarHBondContact OD2-ND1 3.14Å
259L98.9Very high98.6Very high0 Ų044.5 Ų44.50%021%0.212CC..Hα-helixtrans-63.8-47.6175.8-61.8178.1000112.1L134 N164 S255 V256 G261 S262 I263 H271 V273 L295L134-L259 HydrophobicContact CD1-CD1 4.05Å; L134-L259 HydrophobicContact CD2-CB 4.23Å; L134-L259 HydrophobicContact CD2-CD1 4.45Å; N164-L259 HydrophobicContact CB-CD1 4.34Å; N164-L259 HydrophobicContact CB-CD2 4.15Å; S255-L259 WeakPolarHBondContact O-CG 3.34Å; S255-L259 PolarHBondContact O-N 2.74Å; S255-L259 VanDerWaalsContact O-N 3.15Å; V256-L259 PolarHBondContact O-N 2.88Å; L259-G261 VanDerWaalsContact C-N 3.28Å; L259-G261 PolarHBondContact O-N 3.47Å; L259-S262 WeakPolarHBondContact O-CB 3.36Å; L259-S262 PolarHBondContact O-N 3.18Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 3.18Å; L259-I263 VanDerWaalsContact O-N 3.1Å; L259-H271 HydrophobicContact CD2-CB 3.63Å; L259-V273 HydrophobicContact CD1-CG1 3.86Å; L259-V273 HydrophobicContact CD2-CG1 3.51Å; L259-V273 HydrophobicContact CG-CG1 4.34Å; L259-L295 HydrophobicContact CD2-CD1 3.74Å
260V98.8Very high98.7Very high0 Ų047 Ų470%023%0.226CC..Hα-helixtrans-58.7-42.6177.8171.60000110.5I23 I39 L44 I91 I93 L134 V256 M257 S262 I263 L264I23-V260 HydrophobicContact CD1-CG1 3.73Å; I39-V260 HydrophobicContact CD1-CG2 4.44Å; L44-V260 HydrophobicContact CD1-CB 4.33Å; L44-V260 HydrophobicContact CD1-CG1 3.96Å; I91-V260 HydrophobicContact CD1-CG2 3.93Å; I91-V260 HydrophobicContact CG2-CG1 4.39Å; I93-V260 HydrophobicContact CD1-CG2 3.73Å; I93-V260 HydrophobicContact CG1-CG2 4.36Å; L134-V260 HydrophobicContact CD2-CG2 3.89Å; V256-V260 HydrophobicContact CG1-CG2 4.13Å; V256-V260 WeakPolarHBondContact O-CB 3.3Å; V256-V260 WeakPolarHBondContact O-CG2 3.31Å; V256-V260 PolarHBondContact O-N 2.69Å; M257-V260 PolarHBondContact O-N 3.28Å; V260-S262 PolarHBondContact O-N 3.38Å; V260-I263 PolarHBondContact O-N 2.84Å; V260-L264 HydrophobicContact CG1-CD1 3.55Å; V260-L264 HydrophobicContact CG1-CG 4.1Å; V260-L264 WeakPolarHBondContact O-CG 3.39Å; V260-L264 PolarHBondContact O-N 2.72Å
261G98.6Very high98.7Very high8 Ų839.7 Ų39.78%0.08220%0.199CC..Hα-helixtrans-57.8-44.617600000112.7M257 D258 L259 I263 K265M257-G261 PolarHBondContact O-N 2.88Å; D258-G261 PolarHBondContact O-N 3.48Å; L259-G261 VanDerWaalsContact C-N 3.28Å; L259-G261 PolarHBondContact O-N 3.47Å; G261-I263 PolarHBondContact O-N 3.23Å; G261-K265 VanDerWaalsContact O-CB 3.29Å; G261-K265 WeakPolarHBondContact O-CB 3.42Å; G261-K265 PolarHBondContact O-N 2.94Å; G261-K265 VanDerWaalsContact O-N 3.08Å
262S98.8Very high98.7Very high0 Ų037.5 Ų37.50%018%0.181CC..Hα-helixtrans-61.5-42.2175-69.10000112.9D258 L259 V260 N266 L267 R269 H271D258-S262 PolarHBondContact O-N 2.93Å; L259-S262 WeakPolarHBondContact O-CB 3.36Å; L259-S262 PolarHBondContact O-N 3.18Å; V260-S262 PolarHBondContact O-N 3.38Å; S262-N266 CarbonylContact O-C 3.55Å; S262-N266 WeakPolarHBondContact O-CA 3.06Å; S262-N266 PolarHBondContact O-N 3.15Å; S262-N266 VanDerWaalsContact O-N 3.14Å; S262-L267 PolarHBondContact O-N 2.94Å; S262-R269 VanDerWaalsContact OG-CZ 3.25Å; S262-R269 PolarHBondContact OG-NE 2.99Å; S262-R269 PolarHBondContact OG-NH2 2.94Å; S262-H271 PolarHBondContact OG-NE2 3.12Å
263I98.7Very high98.7Very high1 Ų137 Ų371%0.00518%0.178CC..Hα-helixtrans-68.7-54.3-178-66.5165.2000110.5I91 K132 I159 L259 V260 G261 N266 L295 G296 R297I91-I263 HydrophobicContact CD1-CB 4.48Å; I91-I263 HydrophobicContact CD1-CD1 3.73Å; I91-I263 HydrophobicContact CD1-CG2 4.3Å; K132-I263 HydrophobicContact CG-CG2 4.35Å; I159-I263 HydrophobicContact CD1-CD1 3.77Å; L259-I263 WeakPolarHBondContact O-CG1 3.48Å; L259-I263 PolarHBondContact O-N 3.18Å; L259-I263 VanDerWaalsContact O-N 3.1Å; V260-I263 PolarHBondContact O-N 2.84Å; G261-I263 PolarHBondContact O-N 3.23Å; I263-N266 PolarHBondContact O-N 3.09Å; I263-L295 HydrophobicContact CG1-CB 4.39Å; I263-G296 WeakPolarHBondContact CA-O 3.15Å; I263-G296 CarbonylContact O-C 3.57Å; I263-R297 VanDerWaalsContact O-CA 3.27Å; I263-R297 WeakPolarHBondContact O-CA 3.43Å; I263-R297 PolarHBondContact O-N 3.15Å
264L98Very high98.7Very high27 Ų2737 Ų3714%0.14118%0.178CC..Hα-helixtrans-70.7-39.2-172.8-64.8179.4000112.5I23 L44 R90 I91 V260 N266I23-L264 HydrophobicContact CD1-CD1 3.54Å; I23-L264 HydrophobicContact CG1-CD1 3.98Å; L44-L264 HydrophobicContact CB-CD1 4.4Å; L44-L264 WeakPolarHBondContact O-CD1 3.49Å; R90-L264 HydrophobicContact CB-CD2 3.9Å; I91-L264 HydrophobicContact CG2-CD1 4.19Å; I91-L264 HydrophobicContact CG2-CD2 4.03Å; I91-L264 HydrophobicContact CG2-CG 4.38Å; V260-L264 HydrophobicContact CG1-CD1 3.55Å; V260-L264 HydrophobicContact CG1-CG 4.1Å; V260-L264 WeakPolarHBondContact O-CG 3.39Å; V260-L264 PolarHBondContact O-N 2.72Å; L264-N266 VanDerWaalsContact C-N 3.25Å; L264-N266 PolarHBondContact O-N 2.87Å
265K98.4Very high98.7Very high123 Ų12332.6 Ų32.654%0.53516%0.155SC..THydrogen-bonded Turntrans-85.43.3177.2-59-179.4178.5178.40113.1L44 G261 L267L44-K265 HydrophobicContact CD2-CD 4.49Å; G261-K265 VanDerWaalsContact O-CB 3.29Å; G261-K265 WeakPolarHBondContact O-CB 3.42Å; G261-K265 PolarHBondContact O-N 2.94Å; G261-K265 VanDerWaalsContact O-N 3.08Å; K265-L267 VanDerWaalsContact C-N 3.26Å; K265-L267 HydrophobicContact CB-CD1 4.43Å; K265-L267 HydrophobicContact CB-CD2 3.66Å; K265-L267 HydrophobicContact CB-CG 3.81Å; K265-L267 PolarHBondContact O-N 3.33Å
266N98.6Very high98.7Very high69 Ų6933.8 Ų33.837%0.36916%0.161SC..THydrogen-bonded Turntrans51.642-180-167.241.2000113.4S262 I263 L264 R268 G296 R297S262-N266 CarbonylContact O-C 3.55Å; S262-N266 WeakPolarHBondContact O-CA 3.06Å; S262-N266 PolarHBondContact O-N 3.15Å; S262-N266 VanDerWaalsContact O-N 3.14Å; I263-N266 PolarHBondContact O-N 3.09Å; L264-N266 VanDerWaalsContact C-N 3.25Å; L264-N266 PolarHBondContact O-N 2.87Å; N266-R268 VanDerWaalsContact C-N 3.26Å; N266-R268 PolarHBondContact O-N 3.18Å; N266-G296 WeakPolarHBondContact OD1-CA 3.32Å; N266-R297 HydrophobicContact CB-CB 4.06Å; N266-R297 PolarHBondContact OD1-N 3.41Å
267L98.7Very high98.6Very high85 Ų8533.8 Ų33.845%0.44516%0.161SC..  trans-72.7-19.4-169.1-58.6-179.5000113.6S262 K265 R269S262-L267 PolarHBondContact O-N 2.94Å; K265-L267 VanDerWaalsContact C-N 3.26Å; K265-L267 HydrophobicContact CB-CD1 4.43Å; K265-L267 HydrophobicContact CB-CD2 3.66Å; K265-L267 HydrophobicContact CB-CG 3.81Å; K265-L267 PolarHBondContact O-N 3.33Å; L267-R269 HydrophobicContact CB-CG 3.9Å; L267-R269 PolarHBondContact O-N 3.14Å
268R98.6Very high98.6Very high123 Ų12337.5 Ų37.546%0.46418%0.176SC..  trans55.333.5-174.7-57.1-175.661.868.73.6112.4N266 V294 L295 S301 D302N266-R268 VanDerWaalsContact C-N 3.26Å; N266-R268 PolarHBondContact O-N 3.18Å; R268-V294 HydrophobicContact CB-CG1 3.71Å; R268-V294 HydrophobicContact CG-CG1 4.32Å; R268-L295 WeakPolarHBondContact CA-O 3.17Å; R268-L295 PolarHBondContact N-O 2.79Å; R268-S301 PolarHBondContact NH1-OG 3.41Å; R268-D302 IonicContact CZ-OD2 2.66Å; R268-D302 IonicContact NH1-OD2 3.81Å; R268-D302 IonicContact NH2-OD2 3.41Å; R268-D302 PolarHBondContact NH2-OD2 2.96Å
269R98.8Very high98.5Very high94 Ų9438.3 Ų38.336%0.35520%0.196SC..EExtended strand (participates in β ladder)trans-74.6153.4172.2-69.5-170.8-53.8162.64.8110.2D258 S262 L267 H271 L295D258-R269 VanDerWaalsContact CG-NH2 3.34Å; D258-R269 PolarHBondContact O-NH2 2.85Å; D258-R269 IonicContact OD1-CZ 2.64Å; D258-R269 IonicContact OD1-NH1 3.86Å; D258-R269 PolarHBondContact OD1-NH1 3.37Å; D258-R269 IonicContact OD1-NH2 3.75Å; D258-R269 PolarHBondContact OD1-NH2 2.79Å; D258-R269 IonicContact OD2-NH2 2.8Å; S262-R269 VanDerWaalsContact OG-CZ 3.25Å; S262-R269 PolarHBondContact OG-NE 2.99Å; S262-R269 PolarHBondContact OG-NH2 2.94Å; L267-R269 HydrophobicContact CB-CG 3.9Å; L267-R269 PolarHBondContact O-N 3.14Å; R269-H271 WeakPolarHBondContact CB-NE2 3.41Å; R269-H271 PolarHBondContact O-CD2 2.61Å; R269-L295 PolarHBondContact O-N 3.11Å
270V98.9Very high98.3Very high58 Ų5839.7 Ų39.735%0.35220%0.203SC..EExtended strand (participates in β ladder)trans-93.5127.8179.1-178.60000110.1W188 P292 C293 V294 V304W188-V270 HydrophobicContact CH2-CB 4.26Å; W188-V270 HydrophobicContact CH2-CG1 3.77Å; W188-V270 HydrophobicContact CZ3-CG1 4.25Å; V270-P292 HydrophobicContact CG1-CB 3.45Å; V270-P292 VanDerWaalsContact CG1-CB 3.45Å; V270-C293 CarbonylContact C-O 3.49Å; V270-C293 VanDerWaalsContact CA-O 3.26Å; V270-C293 WeakPolarHBondContact CA-O 3.24Å; V270-V294 HydrophobicContact CG2-CG2 4.05Å; V270-V304 HydrophobicContact CG1-CG2 3.98Å; V270-V304 HydrophobicContact CG2-CG2 4.31Å
271H98.9Very high98.2Very high7 Ų741.5 Ų41.53%0.03221%0.21CC..EExtended strand (participates in β ladder)trans-135.3142.2179.3-61.2-90.8000110.9N164 D258 L259 S262 R269 V273 P292 C293 L295N164-H271 PolarHBondContact OD1-ND1 3.48Å; N164-H271 VanDerWaalsContact OD1-ND1 3.12Å; D258-H271 IonicContact OD2-CE1 3.84Å; D258-H271 PolarHBondContact OD2-CE1 2.86Å; D258-H271 IonicContact OD2-ND1 2.67Å; D258-H271 PolarHBondContact OD2-ND1 3.14Å; L259-H271 HydrophobicContact CD2-CB 3.63Å; S262-H271 PolarHBondContact OG-NE2 3.12Å; R269-H271 WeakPolarHBondContact CB-NE2 3.41Å; R269-H271 PolarHBondContact O-CD2 2.61Å; H271-V273 HydrophobicContact CB-CG1 3.95Å; H271-V273 PolarHBondContact O-N 3.46Å; H271-V273 VanDerWaalsContact O-N 3.09Å; H271-P292 CarbonylContact O-C 3.56Å; H271-P292 WeakPolarHBondContact O-CA 3.32Å; H271-C293 PolarHBondContact N-O 3.04Å; H271-C293 PolarHBondContact O-N 2.88Å; H271-L295 HydrophobicContact CB-CD1 4.03Å
272P98.8Very high98.1Very high3 Ų344 Ų442%0.01924%0.236CC..EExtended strand (participates in β ladder)trans-81.889.217429.2-18000108.8C163 N164 S167 W188C163-P272 CarbonylContact C-O 3.47Å; C163-P272 VanDerWaalsContact C-O 3.32Å; C163-P272 HydrophobicContact CB-CB 4.37Å; C163-P272 PolarHBondContact N-O 3.4Å; N164-P272 PolarHBondContact N-O 3.06Å; S167-P272 VanDerWaalsContact OG-CG 3.24Å; S167-P272 WeakPolarHBondContact OG-CG 3.37Å; W188-P272 HydrophobicContact CE3-CB 3.99Å; W188-P272 HydrophobicContact CE3-CG 3.76Å; W188-P272 HydrophobicContact CZ3-CB 4.24Å; W188-P272 HydrophobicContact CZ3-CG 3.87Å
273V98.9Very high98Very high0 Ų044.6 Ų44.60%024%0.239CC..EExtended strand (participates in β ladder)trans-116.8155.9-177.4-70.50000110.8I159 G160 L259 H271 T275 S290 I291 C293 L295 V300I159-V273 HydrophobicContact CG2-CB 3.91Å; I159-V273 HydrophobicContact CG2-CG1 4.3Å; I159-V273 HydrophobicContact CG2-CG2 3.97Å; G160-V273 VanDerWaalsContact O-CB 3.32Å; G160-V273 WeakPolarHBondContact O-CB 3.22Å; L259-V273 HydrophobicContact CD1-CG1 3.86Å; L259-V273 HydrophobicContact CD2-CG1 3.51Å; L259-V273 HydrophobicContact CG-CG1 4.34Å; H271-V273 HydrophobicContact CB-CG1 3.95Å; H271-V273 PolarHBondContact O-N 3.46Å; H271-V273 VanDerWaalsContact O-N 3.09Å; V273-T275 PolarHBondContact O-N 3.15Å; V273-S290 VanDerWaalsContact O-CA 3.32Å; V273-S290 WeakPolarHBondContact O-CA 3.43Å; V273-I291 PolarHBondContact N-O 2.9Å; V273-I291 PolarHBondContact O-N 2.82Å; V273-C293 HydrophobicContact CG2-CB 3.73Å; V273-L295 HydrophobicContact CG1-CD1 4.1Å; V273-L295 HydrophobicContact CG2-CD1 4.33Å; V273-L295 HydrophobicContact CG2-CD2 4.16Å; V273-L295 HydrophobicContact CG2-CG 4.49Å; V273-V300 HydrophobicContact CG2-CG2 4.36Å
274S98.8Very high97.9Very high0 Ų052.2 Ų52.20%027%0.272CS..EExtended strand (participates in β ladder)trans-71.9120.8179.7-1590000110.9D141 G160 L289D141-S274 WeakPolarHBondContact CA-OG 3.45Å; D141-S274 WeakPolarHBondContact OD1-CB 3.28Å; D141-S274 PolarHBondContact OD1-OG 2.9Å; G160-S274 PolarHBondContact N-O 3.17Å; G160-S274 PolarHBondContact O-N 2.93Å; S274-L289 WeakPolarHBondContact CA-O 3.45Å
275T98.6Very high97.9Very high4 Ų454.4 Ų54.43%0.02528%0.281CS..EExtended strand (participates in β ladder)trans-145.3171.8173.1-163.50000109.5V273 V277 F288 L289 I291 C293 V303V273-T275 PolarHBondContact O-N 3.15Å; T275-V277 PolarHBondContact O-N 3.08Å; T275-F288 VanDerWaalsContact C-CD1 3.5Å; T275-F288 VanDerWaalsContact O-CA 3.25Å; T275-F288 WeakPolarHBondContact O-CA 3.49Å; T275-L289 PolarHBondContact N-O 2.73Å; T275-L289 VanDerWaalsContact N-O 3.11Å; T275-L289 PolarHBondContact O-N 2.88Å; T275-I291 HydrophobicContact CG2-CG2 3.77Å; T275-C293 WeakPolarHBondContact CG2-SG 3.43Å; T275-V303 HydrophobicContact CG2-CG2 4.23Å
276M98.3Very high97.8Very high34 Ų3451.4 Ų51.417%0.16727%0.269CS..EExtended strand (participates in β ladder)trans-70.8130.3178.4-169.2-173-7000110.8W148 I155 K278 E286 I287 F288W148-M276 HydrophobicContact CD2-CE 4.45Å; W148-M276 HydrophobicContact CE3-CE 4.01Å; W148-M276 HydrophobicContact CH2-CE 3.3Å; W148-M276 HydrophobicContact CZ2-CE 3.82Å; W148-M276 HydrophobicContact CZ3-CE 3.39Å; I155-M276 HydrophobicContact CD1-CB 3.05Å; I155-M276 HydrophobicContact CD1-CE 4.09Å; I155-M276 HydrophobicContact CD1-CG 4.18Å; I155-M276 HydrophobicContact CD1-SD 4.2Å; I155-M276 HydrophobicContact CG1-CB 4.33Å; M276-K278 HydrophobicContact CG-CB 3.77Å; M276-K278 HydrophobicContact SD-CB 3.81Å; M276-K278 HydrophobicContact SD-CD 4.32Å; M276-E286 HydrophobicContact CE-CB 4Å; M276-E286 HydrophobicContact CE-CG 4.08Å; M276-E286 HydrophobicContact SD-CB 4.36Å; M276-E286 HydrophobicContact SD-CG 4.2Å; M276-I287 VanDerWaalsContact CA-O 3.3Å; M276-I287 WeakPolarHBondContact CA-O 3.45Å; M276-F288 HydrophobicContact CB-CD2 4.19Å; M276-F288 HydrophobicContact CB-CE2 3.87Å; M276-F288 HydrophobicContact CB-CZ 4.09Å; M276-F288 HydrophobicContact CE-CE2 3.81Å; M276-F288 HydrophobicContact CE-CZ 4.33Å; M276-F288 HydrophobicContact CG-CE2 4.32Å
277V97.8Very high97.7Very high0 Ų048.2 Ų48.20%025%0.252CS..  trans-107.19.4-178.4-62.10000113.1T275 G279 L280 I283 I287 L289 I291 F316T275-V277 PolarHBondContact O-N 3.08Å; V277-G279 PolarHBondContact O-N 3.02Å; V277-L280 HydrophobicContact CB-CD1 4.47Å; V277-L280 WeakPolarHBondContact O-CB 3.33Å; V277-L280 PolarHBondContact O-N 2.73Å; V277-I283 HydrophobicContact CB-CD1 4.43Å; V277-I283 HydrophobicContact CG2-CD1 3.75Å; V277-I283 HydrophobicContact CG2-CG2 4.38Å; V277-I287 HydrophobicContact CG2-CB 4.44Å; V277-I287 WeakPolarHBondContact CG2-O 3.36Å; V277-I287 PolarHBondContact N-O 3.37Å; V277-L289 HydrophobicContact CG1-CB 4.06Å; V277-L289 HydrophobicContact CG2-CB 4.17Å; V277-L289 HydrophobicContact CG2-CD1 4.08Å; V277-L289 HydrophobicContact CG2-CG 4.43Å; V277-I291 HydrophobicContact CG1-CB 4.48Å; V277-I291 HydrophobicContact CG1-CG2 4.02Å; V277-F316 HydrophobicContact CB-CZ 4.42Å; V277-F316 HydrophobicContact CG1-CZ 4.11Å
278K97.7Very high97.7Very high105 Ų10544.2 Ų44.246%0.45723%0.231SC..THydrogen-bonded Turntrans-52.9128.6174.2-177.9168.5174.3175.20110.9M276 L280 K284 E285 E286M276-K278 HydrophobicContact CG-CB 3.77Å; M276-K278 HydrophobicContact SD-CB 3.81Å; M276-K278 HydrophobicContact SD-CD 4.32Å; K278-L280 VanDerWaalsContact C-N 3.32Å; K278-K284 VanDerWaalsContact CD-O 3.31Å; K278-K284 WeakPolarHBondContact CD-O 3.14Å; K278-K284 WeakPolarHBondContact CE-O 3.36Å; K278-K284 WeakPolarHBondContact CG-O 3.36Å; K278-E285 WeakPolarHBondContact CB-O 3.46Å; K278-E286 HydrophobicContact CD-CG 3.82Å; K278-E286 IonicContact NZ-OE1 3.33Å
279G96.4Very high97.7Very high64 Ų6438.3 Ų38.366%0.6621%0.209SC*.THydrogen-bonded Turntrans86.6-6.2-177.100000114.5V277 I283V277-G279 PolarHBondContact O-N 3.02Å; G279-I283 PolarHBondContact N-O 3.41Å
280L95.8Very high97.7Very high28 Ų2833.9 Ų33.915%0.14719%0.192CC..SBendtrans-96.6139173.8-55.5-179.8000110.2V277 K278 G282 I283 I291 V303 K305V277-L280 HydrophobicContact CB-CD1 4.47Å; V277-L280 WeakPolarHBondContact O-CB 3.33Å; V277-L280 PolarHBondContact O-N 2.73Å; K278-L280 VanDerWaalsContact C-N 3.32Å; L280-G282 PolarHBondContact O-N 3.48Å; L280-I283 WeakPolarHBondContact O-CB 3.26Å; L280-I283 WeakPolarHBondContact O-CG1 3.33Å; L280-I283 PolarHBondContact O-N 3.03Å; L280-I291 HydrophobicContact CD1-CD1 3.7Å; L280-V303 HydrophobicContact CD1-CG1 3.86Å; L280-K305 HydrophobicContact CD2-CG 4.42Å
281Y96.6Very high97.7Very high39 Ų3931.1 Ų31.115%0.15318%0.175CC..THydrogen-bonded Turntrans49.234.6176.4-42.8-75.4000113.6I283 I291 I306 L308 E313 F316 K317Y281-I283 VanDerWaalsContact C-N 3.31Å; Y281-I283 PolarHBondContact O-N 3.43Å; Y281-I291 HydrophobicContact CE2-CD1 3.74Å; Y281-I306 WeakPolarHBondContact CE1-O 3.05Å; Y281-I306 PolarHBondContact OH-N 2.81Å; Y281-I306 PolarHBondContact OH-O 3.41Å; Y281-I306 VanDerWaalsContact OH-O 3.13Å; Y281-L308 HydrophobicContact CD1-CD1 3.88Å; Y281-L308 HydrophobicContact CD1-CG 4.44Å; Y281-L308 HydrophobicContact CD2-CD1 4.37Å; Y281-L308 HydrophobicContact CE1-CD1 3.66Å; Y281-L308 HydrophobicContact CE1-CG 3.87Å; Y281-L308 HydrophobicContact CE2-CD1 4.15Å; Y281-L308 HydrophobicContact CG-CD1 4.23Å; Y281-E313 HydrophobicContact CD1-CG 4.42Å; Y281-F316 AromaticContact CD2-CD1 3.79Å; Y281-F316 HydrophobicContact CD2-CD1 3.79Å; Y281-F316 AromaticContact CD2-CE1 3.59Å; Y281-F316 HydrophobicContact CD2-CE1 3.59Å; Y281-F316 HydrophobicContact CE2-CD1 4.36Å; Y281-F316 HydrophobicContact CE2-CE1 4.03Å; Y281-F316 HydrophobicContact CG-CD1 4.41Å; Y281-K317 WeakPolarHBondContact O-CE 3.46Å
282G95.4Very high97.7Very high61 Ų6131 Ų3163%0.62918%0.175SC*.THydrogen-bonded Turntrans77.14.2178.800000116.4L280L280-G282 PolarHBondContact O-N 3.48Å
283I97.1Very high97.7Very high11 Ų1130.8 Ų30.86%0.05617%0.174CC..  trans-71.4128.5175.9-60.5169.6000109.4V277 G279 L280 Y281 I287 F316 A320V277-I283 HydrophobicContact CB-CD1 4.43Å; V277-I283 HydrophobicContact CG2-CD1 3.75Å; V277-I283 HydrophobicContact CG2-CG2 4.38Å; G279-I283 PolarHBondContact N-O 3.41Å; L280-I283 WeakPolarHBondContact O-CB 3.26Å; L280-I283 WeakPolarHBondContact O-CG1 3.33Å; L280-I283 PolarHBondContact O-N 3.03Å; Y281-I283 VanDerWaalsContact C-N 3.31Å; Y281-I283 PolarHBondContact O-N 3.43Å; I283-I287 HydrophobicContact CG2-CD1 3.99Å; I283-F316 HydrophobicContact CD1-CD1 4.11Å; I283-F316 HydrophobicContact CD1-CE1 3.68Å; I283-A320 HydrophobicContact CD1-CB 3.79Å; I283-A320 HydrophobicContact CG1-CB 4.36Å
284K96.8Very high97.7Very high161 Ų16131.8 Ų31.870%0.718%0.18SC*.  trans-108-23.5-175.5-64.5179.9-177.2175.40113K278K278-K284 VanDerWaalsContact CD-O 3.31Å; K278-K284 WeakPolarHBondContact CD-O 3.14Å; K278-K284 WeakPolarHBondContact CE-O 3.36Å; K278-K284 WeakPolarHBondContact CG-O 3.36Å
285E97.3Very high97.7Very high73 Ų7331.8 Ų31.834%0.34118%0.18SC..SBendtrans-81.3155.8-175-62.468.5-152.700110.5K278 I287 W324K278-E285 WeakPolarHBondContact CB-O 3.46Å; E285-I287 HydrophobicContact CB-CD1 3.76Å; E285-I287 HydrophobicContact CB-CG1 3.8Å; E285-I287 PolarHBondContact O-N 2.98Å; E285-W324 HydrophobicContact CB-CD2 4.01Å; E285-W324 HydrophobicContact CB-CE3 3.87Å; E285-W324 HydrophobicContact CB-CH2 4.23Å; E285-W324 HydrophobicContact CB-CZ2 4.35Å; E285-W324 HydrophobicContact CB-CZ3 3.99Å; E285-W324 HydrophobicContact CG-CD2 3.85Å; E285-W324 HydrophobicContact CG-CE3 4.2Å; E285-W324 HydrophobicContact CG-CG 4.38Å; E285-W324 HydrophobicContact CG-CH2 4.16Å; E285-W324 HydrophobicContact CG-CZ2 3.8Å; E285-W324 HydrophobicContact CG-CZ3 4.34Å
286E96.8Very high97.7Very high60 Ų6031.7 Ų31.728%0.2818%0.18SC..  trans-80.263.2178.8-66.7-174.5157.700111.4Y145 W148 K149 M276 K278 Q327Y145-E286 WeakPolarHBondContact CD2-O 3.31Å; Y145-E286 HydrophobicContact CE2-CB 4.23Å; W148-E286 HydrophobicContact CZ3-CB 4.49Å; K149-E286 IonicContact NZ-OE2 3.79Å; K149-E286 PolarHBondContact NZ-OE2 3.27Å; M276-E286 HydrophobicContact CE-CB 4Å; M276-E286 HydrophobicContact CE-CG 4.08Å; M276-E286 HydrophobicContact SD-CB 4.36Å; M276-E286 HydrophobicContact SD-CG 4.2Å; K278-E286 HydrophobicContact CD-CG 3.82Å; K278-E286 IonicContact NZ-OE1 3.33Å; E286-Q327 PolarHBondContact O-NE2 3.17Å
287I97.1Very high97.6Very high3 Ų337.4 Ų37.42%0.01520%0.199CC..  trans-94.1138.5-177.6-59.3162.9000109.3M276 V277 I283 E285 L289 A320 L323 W324M276-I287 VanDerWaalsContact CA-O 3.3Å; M276-I287 WeakPolarHBondContact CA-O 3.45Å; V277-I287 HydrophobicContact CG2-CB 4.44Å; V277-I287 WeakPolarHBondContact CG2-O 3.36Å; V277-I287 PolarHBondContact N-O 3.37Å; I283-I287 HydrophobicContact CG2-CD1 3.99Å; E285-I287 HydrophobicContact CB-CD1 3.76Å; E285-I287 HydrophobicContact CB-CG1 3.8Å; E285-I287 PolarHBondContact O-N 2.98Å; I287-L289 HydrophobicContact CG2-CD1 4.24Å; I287-L289 HydrophobicContact CG2-CG 3.97Å; I287-A320 HydrophobicContact CD1-CB 4.02Å; I287-L323 HydrophobicContact CG2-CB 4.35Å; I287-W324 HydrophobicContact CD1-CB 3.73Å; I287-W324 HydrophobicContact CD1-CD2 4.5Å; I287-W324 HydrophobicContact CD1-CE3 4.42Å; I287-W324 HydrophobicContact CD1-CG 4.24Å; I287-W324 HydrophobicContact CG1-CB 4.18Å; I287-W324 HydrophobicContact CG1-CD2 4.46Å; I287-W324 HydrophobicContact CG1-CE3 3.9Å
288F98.5Very high97.6Very high0 Ų043.1 Ų43.10%023%0.23CC..EExtended strand (participates in β ladder)trans-98.6129.4170-80.1-116.9000109.5D141 T144 Y145 W148 I155 T275 M276 L323D141-F288 WeakPolarHBondContact CB-O 3.05Å; D141-F288 WeakPolarHBondContact O-CB 3.41Å; T144-F288 HydrophobicContact CG2-CD1 3.44Å; T144-F288 VanDerWaalsContact CG2-CD1 3.44Å; T144-F288 HydrophobicContact CG2-CE1 3.74Å; T144-F288 HydrophobicContact CG2-CG 4.42Å; Y145-F288 AromaticContact CD2-CD2 3.97Å; Y145-F288 HydrophobicContact CD2-CD2 3.97Å; Y145-F288 AromaticContact CD2-CE2 4Å; Y145-F288 HydrophobicContact CD2-CE2 4Å; Y145-F288 HydrophobicContact CG-CD2 4.32Å; W148-F288 HydrophobicContact CB-CZ 3.91Å; W148-F288 HydrophobicContact CD2-CE2 4.14Å; W148-F288 AromaticContact CD2-CZ 3.94Å; W148-F288 HydrophobicContact CD2-CZ 3.94Å; W148-F288 AromaticContact CE3-CE2 3.67Å; W148-F288 HydrophobicContact CE3-CE2 3.67Å; W148-F288 AromaticContact CE3-CZ 3.96Å; W148-F288 HydrophobicContact CE3-CZ 3.96Å; W148-F288 HydrophobicContact CG-CE2 4.5Å; W148-F288 AromaticContact CG-CZ 3.9Å; W148-F288 HydrophobicContact CG-CZ 3.9Å; W148-F288 HydrophobicContact CZ3-CE2 4.25Å; I155-F288 HydrophobicContact CD1-CZ 4.12Å; I155-F288 HydrophobicContact CG1-CE1 4.27Å; I155-F288 HydrophobicContact CG1-CZ 4Å; T275-F288 VanDerWaalsContact C-CD1 3.5Å; T275-F288 VanDerWaalsContact O-CA 3.25Å; T275-F288 WeakPolarHBondContact O-CA 3.49Å; M276-F288 HydrophobicContact CB-CD2 4.19Å; M276-F288 HydrophobicContact CB-CE2 3.87Å; M276-F288 HydrophobicContact CB-CZ 4.09Å; M276-F288 HydrophobicContact CE-CE2 3.81Å; M276-F288 HydrophobicContact CE-CZ 4.33Å; M276-F288 HydrophobicContact CG-CE2 4.32Å; F288-L323 WeakPolarHBondContact O-CD1 3.5Å
289L98Very high97.6Very high0 Ų038.1 Ų38.10%021%0.208CC..EExtended strand (participates in β ladder)trans-149159.3177.6-79.2172.7000109.3G191 E192 S274 T275 V277 I287 I291 F316 A320 L323G191-L289 VanDerWaalsContact C-CD2 3.43Å; E192-L289 HydrophobicContact CB-CD2 4.24Å; E192-L289 VanDerWaalsContact N-CD2 3.33Å; S274-L289 WeakPolarHBondContact CA-O 3.45Å; T275-L289 PolarHBondContact N-O 2.73Å; T275-L289 VanDerWaalsContact N-O 3.11Å; T275-L289 PolarHBondContact O-N 2.88Å; V277-L289 HydrophobicContact CG1-CB 4.06Å; V277-L289 HydrophobicContact CG2-CB 4.17Å; V277-L289 HydrophobicContact CG2-CD1 4.08Å; V277-L289 HydrophobicContact CG2-CG 4.43Å; I287-L289 HydrophobicContact CG2-CD1 4.24Å; I287-L289 HydrophobicContact CG2-CG 3.97Å; L289-I291 PolarHBondContact O-N 3.39Å; L289-F316 HydrophobicContact CB-CE2 4.38Å; L289-F316 HydrophobicContact CB-CZ 4.33Å; L289-F316 HydrophobicContact CD1-CE2 4.15Å; L289-F316 HydrophobicContact CD1-CZ 4.04Å; L289-A320 HydrophobicContact CD1-CB 3.54Å; L289-L323 HydrophobicContact CD2-CD1 3.33Å; L289-L323 HydrophobicContact CD2-CG 4.09Å; L289-L323 HydrophobicContact CG-CD1 4.17Å
290S98.8Very high97.7Very high0 Ų035.4 Ų35.40%018%0.179CC..EExtended strand (participates in β ladder)trans-73.3126.1176.1-57.80000111.6G162 C163 I190 G191 V273G162-S290 WeakPolarHBondContact CA-OG 3.4Å; C163-S290 PolarHBondContact N-OG 3.39Å; C163-S290 VanDerWaalsContact SG-CB 3.56Å; C163-S290 PolarHBondContact SG-OG 2.87Å; I190-S290 WeakPolarHBondContact CB-O 3.27Å; G191-S290 PolarHBondContact N-O 3.48Å; G191-S290 WeakPolarHBondContact O-CA 3.42Å; G191-S290 WeakPolarHBondContact O-CB 3.36Å; G191-S290 PolarHBondContact O-N 2.83Å; G191-S290 PolarHBondContact O-OG 3.45Å; V273-S290 VanDerWaalsContact O-CA 3.32Å; V273-S290 WeakPolarHBondContact O-CA 3.43Å
291I98.6Very high97.8Very high0 Ų036.6 Ų36.60%019%0.189CC..EExtended strand (participates in β ladder)trans-145.6151.1171.9-170.4167.6000108.2V273 T275 V277 L280 Y281 L289 C293 V303V273-I291 PolarHBondContact N-O 2.9Å; V273-I291 PolarHBondContact O-N 2.82Å; T275-I291 HydrophobicContact CG2-CG2 3.77Å; V277-I291 HydrophobicContact CG1-CB 4.48Å; V277-I291 HydrophobicContact CG1-CG2 4.02Å; L280-I291 HydrophobicContact CD1-CD1 3.7Å; Y281-I291 HydrophobicContact CE2-CD1 3.74Å; L289-I291 PolarHBondContact O-N 3.39Å; I291-C293 PolarHBondContact O-N 2.98Å; I291-C293 VanDerWaalsContact O-N 3.11Å; I291-C293 PolarHBondContact O-SG 3.24Å; I291-V303 HydrophobicContact CD1-CG1 3.82Å; I291-V303 HydrophobicContact CG1-CG1 4.05Å; I291-V303 HydrophobicContact CG2-CG1 3.69Å
292P98.7Very high97.9Very high4 Ų438.2 Ų38.23%0.02620%0.201CC..EExtended strand (participates in β ladder)trans-63.3117.7-178-21.433.8000111.2W188 I190 V270 H271 V304 I306W188-P292 HydrophobicContact CD2-CG 4.27Å; W188-P292 HydrophobicContact CE3-CB 4.23Å; W188-P292 HydrophobicContact CE3-CG 3.84Å; W188-P292 HydrophobicContact CH2-CB 4.42Å; W188-P292 HydrophobicContact CZ3-CB 3.98Å; W188-P292 HydrophobicContact CZ3-CG 4.12Å; I190-P292 HydrophobicContact CG2-CG 4.36Å; V270-P292 HydrophobicContact CG1-CB 3.45Å; V270-P292 VanDerWaalsContact CG1-CB 3.45Å; H271-P292 CarbonylContact O-C 3.56Å; H271-P292 WeakPolarHBondContact O-CA 3.32Å; P292-V304 HydrophobicContact CB-CB 4.13Å; P292-V304 HydrophobicContact CB-CG2 4.29Å; P292-V304 WeakPolarHBondContact O-CB 3.34Å; P292-V304 PolarHBondContact O-N 3.18Å; P292-I306 HydrophobicContact CG-CD1 3.58Å; P292-I306 HydrophobicContact CG-CG1 4.2Å
293C98.9Very high98.1Very high0 Ų037.8 Ų37.80%019%0.186CC..EExtended strand (participates in β ladder)trans-121142.1-176.4-65.60000110.6V270 H271 V273 T275 I291 L295 V300 D302V270-C293 CarbonylContact C-O 3.49Å; V270-C293 VanDerWaalsContact CA-O 3.26Å; V270-C293 WeakPolarHBondContact CA-O 3.24Å; H271-C293 PolarHBondContact N-O 3.04Å; H271-C293 PolarHBondContact O-N 2.88Å; V273-C293 HydrophobicContact CG2-CB 3.73Å; T275-C293 WeakPolarHBondContact CG2-SG 3.43Å; I291-C293 PolarHBondContact O-N 2.98Å; I291-C293 VanDerWaalsContact O-N 3.11Å; I291-C293 PolarHBondContact O-SG 3.24Å; C293-L295 HydrophobicContact CB-CD2 4.5Å; C293-L295 PolarHBondContact O-N 3.06Å; C293-V300 HydrophobicContact CB-CG1 3.91Å; C293-V300 HydrophobicContact CB-CG2 4.1Å; C293-D302 CarbonylContact C-O 3.55Å; C293-D302 WeakPolarHBondContact CA-O 3.44Å
294V98.9Very high98.1Very high20 Ų2040.1 Ų40.112%0.12120%0.2CC..EExtended strand (participates in β ladder)trans-77.9115.7169.9179.20000108.7R268 V270 S301 D302R268-V294 HydrophobicContact CB-CG1 3.71Å; R268-V294 HydrophobicContact CG-CG1 4.32Å; V270-V294 HydrophobicContact CG2-CG2 4.05Å; V294-S301 PolarHBondContact O-N 3.32Å; V294-D302 HydrophobicContact CB-CB 3.9Å; V294-D302 HydrophobicContact CG2-CB 3.84Å; V294-D302 PolarHBondContact N-O 3.29Å
295L98.8Very high98Very high0 Ų040.3 Ų40.30%020%0.201CC..EExtended strand (participates in β ladder)trans-102.9127.5179.9-66-172.9000112.2I159 L259 I263 R268 R269 H271 V273 C293 G299 V300I159-L295 HydrophobicContact CD1-CD2 4.22Å; L259-L295 HydrophobicContact CD2-CD1 3.74Å; I263-L295 HydrophobicContact CG1-CB 4.39Å; R268-L295 WeakPolarHBondContact CA-O 3.17Å; R268-L295 PolarHBondContact N-O 2.79Å; R269-L295 PolarHBondContact O-N 3.11Å; H271-L295 HydrophobicContact CB-CD1 4.03Å; V273-L295 HydrophobicContact CG1-CD1 4.1Å; V273-L295 HydrophobicContact CG2-CD1 4.33Å; V273-L295 HydrophobicContact CG2-CD2 4.16Å; V273-L295 HydrophobicContact CG2-CG 4.49Å; C293-L295 HydrophobicContact CB-CD2 4.5Å; C293-L295 PolarHBondContact O-N 3.06Å; L295-G299 WeakPolarHBondContact CA-O 3.34Å; L295-V300 HydrophobicContact CD2-CB 4.33Å; L295-V300 HydrophobicContact CD2-CG2 3.51Å
296G98.4Very high97.9Very high2 Ų238.4 Ų38.42%0.02119%0.193CC..EExtended strand (participates in β ladder)trans-147.4-161.3175.300000112.5I263 N266 N298 G299I263-G296 WeakPolarHBondContact CA-O 3.15Å; I263-G296 CarbonylContact O-C 3.57Å; N266-G296 WeakPolarHBondContact OD1-CA 3.32Å; G296-N298 PolarHBondContact O-N 2.7Å; G296-G299 PolarHBondContact N-O 2.9Å; G296-G299 PolarHBondContact O-N 2.95Å
297R97.4Very high97.8Very high154 Ų15442.8 Ų42.858%0.58122%0.219SC*.THydrogen-bonded Turntrans-56.7-30-173.5-173.4176.8-66.8-1790.4114K132 I263 N266 G299K132-R297 WeakPolarHBondContact CD-O 3.46Å; K132-R297 WeakPolarHBondContact CE-O 3.37Å; K132-R297 PolarHBondContact NZ-O 3.23Å; I263-R297 VanDerWaalsContact O-CA 3.27Å; I263-R297 WeakPolarHBondContact O-CA 3.43Å; I263-R297 PolarHBondContact O-N 3.15Å; N266-R297 HydrophobicContact CB-CB 4.06Å; N266-R297 PolarHBondContact OD1-N 3.41Å; R297-G299 VanDerWaalsContact C-N 3.34Å
298N97Very high97.7Very high120 Ų12043.7 Ų43.764%0.64222%0.223SC*.THydrogen-bonded Turntrans-92.78.4-179.5-63.4-18.9000113.3G296G296-N298 PolarHBondContact O-N 2.7Å
299G98.4Very high97.6Very high0 Ų046 Ų460%024%0.235CC..EExtended strand (participates in β ladder)trans84.6-131.3-17300000111.9T156 L295 G296 R297 S301T156-G299 CarbonylContact O-C 3.6Å; T156-G299 VanDerWaalsContact O-CA 3.24Å; T156-G299 WeakPolarHBondContact O-CA 3.32Å; L295-G299 WeakPolarHBondContact CA-O 3.34Å; G296-G299 PolarHBondContact N-O 2.9Å; G296-G299 PolarHBondContact O-N 2.95Å; R297-G299 VanDerWaalsContact C-N 3.34Å; G299-S301 PolarHBondContact O-N 3.45Å
300V98.6Very high97.5Very high8 Ų851.2 Ų51.25%0.04827%0.272CS..EExtended strand (participates in β ladder)trans-76.7109.2176.2174.70000109.1T156 I159 V273 C293 L295 V303T156-V300 WeakPolarHBondContact CB-O 3.42Å; T156-V300 WeakPolarHBondContact CG2-O 3.31Å; T156-V300 PolarHBondContact O-N 2.81Å; I159-V300 HydrophobicContact CD1-CG2 4.44Å; I159-V300 HydrophobicContact CG1-CG2 4.11Å; V273-V300 HydrophobicContact CG2-CG2 4.36Å; C293-V300 HydrophobicContact CB-CG1 3.91Å; C293-V300 HydrophobicContact CB-CG2 4.1Å; L295-V300 HydrophobicContact CD2-CB 4.33Å; L295-V300 HydrophobicContact CD2-CG2 3.51Å; V300-V303 HydrophobicContact CG1-CG2 4.31Å
301S98.1Very high97.3Very high52 Ų5256.5 Ų56.536%0.36430%0.297SS..EExtended strand (participates in β ladder)trans-93.5-32.217662.90000113.2R268 V294 G299R268-S301 PolarHBondContact NH1-OG 3.41Å; V294-S301 PolarHBondContact O-N 3.32Å; G299-S301 PolarHBondContact O-N 3.45Å
302D98.6Very high97.3Very high74 Ų7456.7 Ų56.740%0.39630%0.298SS..EExtended strand (participates in β ladder)trans-145.9149.4-174.1-49.1-95.3000110.1R268 C293 V294R268-D302 IonicContact CZ-OD2 2.66Å; R268-D302 IonicContact NH1-OD2 3.81Å; R268-D302 IonicContact NH2-OD2 3.41Å; R268-D302 PolarHBondContact NH2-OD2 2.96Å; C293-D302 CarbonylContact C-O 3.55Å; C293-D302 WeakPolarHBondContact CA-O 3.44Å; V294-D302 HydrophobicContact CB-CB 3.9Å; V294-D302 HydrophobicContact CG2-CB 3.84Å; V294-D302 PolarHBondContact N-O 3.29Å
303V98.4Very high97.3Very high51 Ų5159.2 Ų59.231%0.30931%0.309SS..EExtended strand (participates in β ladder)trans-114.4128.5173.4179.80000108.9T275 L280 I291 V300 K305T275-V303 HydrophobicContact CG2-CG2 4.23Å; L280-V303 HydrophobicContact CD1-CG1 3.86Å; I291-V303 HydrophobicContact CD1-CG1 3.82Å; I291-V303 HydrophobicContact CG1-CG1 4.05Å; I291-V303 HydrophobicContact CG2-CG1 3.69Å; V300-V303 HydrophobicContact CG1-CG2 4.31Å; V303-K305 PolarHBondContact O-N 3.42Å
304V98.3Very high97.2Very high60 Ų6062 Ų6236%0.36433%0.332SS..  trans-76.3119.1175.1-177.50000108.7V270 P292 I306V270-V304 HydrophobicContact CG1-CG2 3.98Å; V270-V304 HydrophobicContact CG2-CG2 4.31Å; P292-V304 HydrophobicContact CB-CB 4.13Å; P292-V304 HydrophobicContact CB-CG2 4.29Å; P292-V304 WeakPolarHBondContact O-CB 3.34Å; P292-V304 PolarHBondContact O-N 3.18Å; V304-I306 PolarHBondContact O-N 2.76Å
305K95.4Very high97.2Very high165 Ų16564.4 Ų64.472%0.71734%0.344SS*.  trans-81.399.1172.8-62.4-179.3-177179.60108.5L280 V303L280-K305 HydrophobicContact CD2-CG 4.42Å; V303-K305 PolarHBondContact O-N 3.42Å
306I94.6Very high97.2Very high34 Ų3464.4 Ų64.417%0.17434%0.344CS..  trans-76.6140.7-179.3-46.7176.5000109I190 L200 Y281 P292 V304 L308I190-I306 HydrophobicContact CG2-CD1 4.21Å; L200-I306 HydrophobicContact CD1-CD1 3.33Å; L200-I306 HydrophobicContact CD1-CG2 4.14Å; Y281-I306 WeakPolarHBondContact CE1-O 3.05Å; Y281-I306 PolarHBondContact OH-N 2.81Å; Y281-I306 PolarHBondContact OH-O 3.41Å; Y281-I306 VanDerWaalsContact OH-O 3.13Å; P292-I306 HydrophobicContact CG-CD1 3.58Å; P292-I306 HydrophobicContact CG-CG1 4.2Å; V304-I306 PolarHBondContact O-N 2.76Å; I306-L308 HydrophobicContact CB-CD2 4.1Å; I306-L308 HydrophobicContact CB-CG 4.5Å; I306-L308 HydrophobicContact CG2-CD2 3.97Å; I306-L308 PolarHBondContact O-N 3.06Å; I306-L308 VanDerWaalsContact O-N 3.1Å
307N94.2Very high97.2Very high152 Ų15267.7 Ų67.781%0.81336%0.358SS*.  trans-79.289.8167.7-67.2-18.3000109
308L96.1Very high97.2Very high22 Ų2266.6 Ų66.612%0.11536%0.357CS..  trans-74.8140.2174.9-58-179.9000109.9I190 L200 Y281 I306 E312 E313 F316I190-L308 HydrophobicContact CD1-CD1 4.38Å; I190-L308 HydrophobicContact CD1-CD2 4.06Å; L200-L308 HydrophobicContact CD1-CD2 4.03Å; L200-L308 HydrophobicContact CD2-CD2 3.48Å; L200-L308 VanDerWaalsContact CD2-CD2 3.48Å; L200-L308 HydrophobicContact CG-CD2 4.41Å; Y281-L308 HydrophobicContact CD1-CD1 3.88Å; Y281-L308 HydrophobicContact CD1-CG 4.44Å; Y281-L308 HydrophobicContact CD2-CD1 4.37Å; Y281-L308 HydrophobicContact CE1-CD1 3.66Å; Y281-L308 HydrophobicContact CE1-CG 3.87Å; Y281-L308 HydrophobicContact CE2-CD1 4.15Å; Y281-L308 HydrophobicContact CG-CD1 4.23Å; I306-L308 HydrophobicContact CB-CD2 4.1Å; I306-L308 HydrophobicContact CB-CG 4.5Å; I306-L308 HydrophobicContact CG2-CD2 3.97Å; I306-L308 PolarHBondContact O-N 3.06Å; I306-L308 VanDerWaalsContact O-N 3.1Å; L308-E312 HydrophobicContact CB-CB 4.11Å; L308-E312 HydrophobicContact CD2-CB 4.21Å; L308-E313 HydrophobicContact CB-CB 4Å; L308-E313 HydrophobicContact CD1-CB 4.26Å; L308-E313 HydrophobicContact CD1-CG 4.48Å; L308-F316 HydrophobicContact CD1-CB 4.23Å; L308-F316 HydrophobicContact CD1-CG 4.44Å
309N95.4Very high97.2Very high47 Ų4760.9 Ų60.925%0.25133%0.327SS..  trans-74167.7164.773.351.5000110.4E311 E312 E313N309-E311 PolarHBondContact O-N 3.41Å; N309-E311 VanDerWaalsContact O-N 3.17Å; N309-E311 WeakPolarHBondContact OD1-CB 3.43Å; N309-E311 PolarHBondContact OD1-N 3.31Å; N309-E312 PolarHBondContact N-OE2 2.82Å; N309-E312 VanDerWaalsContact N-OE2 3.1Å; N309-E312 WeakPolarHBondContact ND2-CG 3.25Å; N309-E312 PolarHBondContact ND2-OE1 2.97Å; N309-E312 PolarHBondContact ND2-OE2 3.4Å; N309-E312 PolarHBondContact O-N 3.06Å; N309-E312 PolarHBondContact OD1-N 2.85Å; N309-E313 WeakPolarHBondContact O-CB 3.44Å; N309-E313 PolarHBondContact O-N 3.25Å
310S96.1Very high97.2Very high110 Ų11061 Ų6177%0.76933%0.328SS*.Hα-helixtrans-57.7-33.8-174.4-51.60000114.2A314S310-A314 VanDerWaalsContact O-CB 3.31Å; S310-A314 WeakPolarHBondContact O-CB 3.25Å; S310-A314 PolarHBondContact O-N 2.91Å; S310-A314 VanDerWaalsContact O-N 3.11Å
311E95.4Very high97.1Very high111 Ų11166.4 Ų66.452%0.51935%0.352SS..Hα-helixtrans-74.6-46.9177.9-177.6-179.3-166.100111.1N309 E313 A314 L315N309-E311 PolarHBondContact O-N 3.41Å; N309-E311 VanDerWaalsContact O-N 3.17Å; N309-E311 WeakPolarHBondContact OD1-CB 3.43Å; N309-E311 PolarHBondContact OD1-N 3.31Å; E311-E313 VanDerWaalsContact C-N 3.32Å; E311-E313 PolarHBondContact O-N 2.91Å; E311-A314 PolarHBondContact O-N 3.47Å; E311-L315 HydrophobicContact CG-CD1 4.32Å; E311-L315 WeakPolarHBondContact O-CG 3.35Å; E311-L315 PolarHBondContact O-N 2.93Å
312E97.9Very high96.9Very high4 Ų466.3 Ų66.32%0.01935%0.349CS..Hα-helixtrans-59.8-41.6175.9-72.1166171.700111.5L200 W201 S202 L308 N309 L315 F316L200-E312 HydrophobicContact CD2-CB 4.07Å; L200-E312 HydrophobicContact CD2-CG 4.01Å; W201-E312 PolarHBondContact N-OE1 3.49Å; W201-E312 VanDerWaalsContact N-OE1 3.1Å; S202-E312 WeakPolarHBondContact CB-OE1 3.41Å; S202-E312 WeakPolarHBondContact CB-OE2 3.39Å; S202-E312 PolarHBondContact N-OE1 2.93Å; S202-E312 VanDerWaalsContact OG-CD 3.24Å; S202-E312 PolarHBondContact OG-OE1 3.37Å; S202-E312 PolarHBondContact OG-OE2 2.85Å; L308-E312 HydrophobicContact CB-CB 4.11Å; L308-E312 HydrophobicContact CD2-CB 4.21Å; N309-E312 PolarHBondContact N-OE2 2.82Å; N309-E312 VanDerWaalsContact N-OE2 3.1Å; N309-E312 WeakPolarHBondContact ND2-CG 3.25Å; N309-E312 PolarHBondContact ND2-OE1 2.97Å; N309-E312 PolarHBondContact ND2-OE2 3.4Å; N309-E312 PolarHBondContact O-N 3.06Å; N309-E312 PolarHBondContact OD1-N 2.85Å; E312-L315 PolarHBondContact O-N 2.63Å; E312-F316 WeakPolarHBondContact O-CB 3.48Å; E312-F316 PolarHBondContact O-N 3.02Å
313E98.1Very high96.7Very high58 Ų5862.8 Ų62.827%0.27133%0.331SS..Hα-helixtrans-66.5-41.4176.1-168.9-179.5134.800111.8Y281 L308 N309 E311 F316 K317Y281-E313 HydrophobicContact CD1-CG 4.42Å; L308-E313 HydrophobicContact CB-CB 4Å; L308-E313 HydrophobicContact CD1-CB 4.26Å; L308-E313 HydrophobicContact CD1-CG 4.48Å; N309-E313 WeakPolarHBondContact O-CB 3.44Å; N309-E313 PolarHBondContact O-N 3.25Å; E311-E313 VanDerWaalsContact C-N 3.32Å; E311-E313 PolarHBondContact O-N 2.91Å; E313-F316 PolarHBondContact O-N 3.39Å; E313-K317 HydrophobicContact CG-CD 4.35Å; E313-K317 WeakPolarHBondContact O-CB 3.19Å; E313-K317 WeakPolarHBondContact O-CG 3.37Å; E313-K317 PolarHBondContact O-N 3.35Å; E313-K317 WeakPolarHBondContact OE1-CE 3.28Å; E313-K317 IonicContact OE1-NZ 2.66Å; E313-K317 PolarHBondContact OE1-NZ 3.18Å
314A98.1Very high96.6Very high57 Ų5764.4 Ų64.447%0.47133%0.331SS..Hα-helixtrans-63.8-42.4176.600000111.8S310 E311 K317 K318S310-A314 VanDerWaalsContact O-CB 3.31Å; S310-A314 WeakPolarHBondContact O-CB 3.25Å; S310-A314 PolarHBondContact O-N 2.91Å; S310-A314 VanDerWaalsContact O-N 3.11Å; E311-A314 PolarHBondContact O-N 3.47Å; A314-K317 PolarHBondContact O-N 3.04Å; A314-K318 WeakPolarHBondContact O-CB 3.48Å; A314-K318 PolarHBondContact O-N 3.23Å
315L97.9Very high96.4Very high71 Ų7165.4 Ų65.437%0.37234%0.335SS..Hα-helixtrans-64.4-41.2174.9-70.5173.7000111.7V198 E311 E312 K318 S319V198-L315 HydrophobicContact CB-CB 4.46Å; V198-L315 HydrophobicContact CG1-CB 3.77Å; V198-L315 HydrophobicContact CG1-CD1 4.25Å; V198-L315 HydrophobicContact CG2-CB 3.85Å; E311-L315 HydrophobicContact CG-CD1 4.32Å; E311-L315 WeakPolarHBondContact O-CG 3.35Å; E311-L315 PolarHBondContact O-N 2.93Å; E312-L315 PolarHBondContact O-N 2.63Å; L315-K318 PolarHBondContact O-N 3.18Å; L315-S319 PolarHBondContact O-N 3.4Å
316F98.4Very high96.2Very high0 Ų058.7 Ų58.70%031%0.306CS..Hα-helixtrans-63.7-43.1177.4-173.2-105000112I190 V198 V277 Y281 I283 L289 L308 E312 E313 S319 A320I190-F316 HydrophobicContact CB-CE2 4.45Å; I190-F316 HydrophobicContact CD1-CD2 3.42Å; I190-F316 VanDerWaalsContact CD1-CD2 3.42Å; I190-F316 HydrophobicContact CD1-CE2 3.78Å; I190-F316 HydrophobicContact CD1-CG 4.11Å; I190-F316 HydrophobicContact CG1-CD2 3.85Å; I190-F316 HydrophobicContact CG1-CE2 4.19Å; V198-F316 HydrophobicContact CG2-CB 4.44Å; V277-F316 HydrophobicContact CB-CZ 4.42Å; V277-F316 HydrophobicContact CG1-CZ 4.11Å; Y281-F316 AromaticContact CD2-CD1 3.79Å; Y281-F316 HydrophobicContact CD2-CD1 3.79Å; Y281-F316 AromaticContact CD2-CE1 3.59Å; Y281-F316 HydrophobicContact CD2-CE1 3.59Å; Y281-F316 HydrophobicContact CE2-CD1 4.36Å; Y281-F316 HydrophobicContact CE2-CE1 4.03Å; Y281-F316 HydrophobicContact CG-CD1 4.41Å; I283-F316 HydrophobicContact CD1-CD1 4.11Å; I283-F316 HydrophobicContact CD1-CE1 3.68Å; L289-F316 HydrophobicContact CB-CE2 4.38Å; L289-F316 HydrophobicContact CB-CZ 4.33Å; L289-F316 HydrophobicContact CD1-CE2 4.15Å; L289-F316 HydrophobicContact CD1-CZ 4.04Å; L308-F316 HydrophobicContact CD1-CB 4.23Å; L308-F316 HydrophobicContact CD1-CG 4.44Å; E312-F316 WeakPolarHBondContact O-CB 3.48Å; E312-F316 PolarHBondContact O-N 3.02Å; E313-F316 PolarHBondContact O-N 3.39Å; F316-S319 WeakPolarHBondContact O-CB 3.26Å; F316-S319 PolarHBondContact O-N 3.38Å; F316-A320 PolarHBondContact O-N 3.37Å
317K98.1Very high96Very high72 Ų7257.4 Ų57.431%0.31330%0.3SS..Hα-helixtrans-61.4-43.7172.8-75.6169.5171168.40112.1Y281 E313 A314 S319 A320 E321Y281-K317 WeakPolarHBondContact O-CE 3.46Å; E313-K317 HydrophobicContact CG-CD 4.35Å; E313-K317 WeakPolarHBondContact O-CB 3.19Å; E313-K317 WeakPolarHBondContact O-CG 3.37Å; E313-K317 PolarHBondContact O-N 3.35Å; E313-K317 WeakPolarHBondContact OE1-CE 3.28Å; E313-K317 IonicContact OE1-NZ 2.66Å; E313-K317 PolarHBondContact OE1-NZ 3.18Å; A314-K317 PolarHBondContact O-N 3.04Å; K317-S319 VanDerWaalsContact C-N 3.31Å; K317-S319 PolarHBondContact O-N 2.94Å; K317-A320 WeakPolarHBondContact O-CA 2.76Å; K317-A320 WeakPolarHBondContact O-CB 3.35Å; K317-A320 PolarHBondContact O-N 2.89Å; K317-A320 VanDerWaalsContact O-N 3.12Å; K317-E321 WeakPolarHBondContact O-CG 3.48Å; K317-E321 PolarHBondContact O-N 3.3Å
318K98Very high95.9Very high130 Ų13055 Ų5557%0.56528%0.282SS*.Hα-helixtrans-61.3-39.1176.5-174.9-179.5179.6-1770112.4A314 L315 E321 T322A314-K318 WeakPolarHBondContact O-CB 3.48Å; A314-K318 PolarHBondContact O-N 3.23Å; L315-K318 PolarHBondContact O-N 3.18Å; K318-E321 PolarHBondContact O-N 3.31Å; K318-T322 PolarHBondContact O-N 3.49Å; K318-T322 PolarHBondContact O-OG1 3.43Å
319S97.6Very high95.6Very high1 Ų158.5 Ų58.51%0.00730%0.301CS..Hα-helixtrans-62.1-44173.4-170.90000111.2E192 S196 L315 F316 K317 E321 T322 L323E192-S319 VanDerWaalsContact CB-OG 3.31Å; E192-S319 WeakPolarHBondContact CB-OG 3.43Å; E192-S319 PolarHBondContact N-OG 3.41Å; S196-S319 VanDerWaalsContact O-CB 3.27Å; S196-S319 WeakPolarHBondContact O-CB 3.24Å; S196-S319 PolarHBondContact O-OG 3.41Å; S196-S319 VanDerWaalsContact O-OG 3.14Å; S196-S319 WeakPolarHBondContact OG-CA 3.39Å; S196-S319 WeakPolarHBondContact OG-CB 3.47Å; S196-S319 PolarHBondContact OG-OG 2.94Å; L315-S319 PolarHBondContact O-N 3.4Å; F316-S319 WeakPolarHBondContact O-CB 3.26Å; F316-S319 PolarHBondContact O-N 3.38Å; K317-S319 VanDerWaalsContact C-N 3.31Å; K317-S319 PolarHBondContact O-N 2.94Å; S319-E321 PolarHBondContact O-N 3.34Å; S319-T322 WeakPolarHBondContact O-CB 3.28Å; S319-T322 PolarHBondContact O-N 3.03Å; S319-L323 PolarHBondContact O-N 2.75Å; S319-L323 VanDerWaalsContact O-N 3.12Å
320A97.6Very high95.3Very high3 Ų357 Ų573%0.02529%0.293CS..Hα-helixtrans-60.8-45.8175.100000112.3I283 I287 L289 F316 K317 T322 L323 W324I283-A320 HydrophobicContact CD1-CB 3.79Å; I283-A320 HydrophobicContact CG1-CB 4.36Å; I287-A320 HydrophobicContact CD1-CB 4.02Å; L289-A320 HydrophobicContact CD1-CB 3.54Å; F316-A320 PolarHBondContact O-N 3.37Å; K317-A320 WeakPolarHBondContact O-CA 2.76Å; K317-A320 WeakPolarHBondContact O-CB 3.35Å; K317-A320 PolarHBondContact O-N 2.89Å; K317-A320 VanDerWaalsContact O-N 3.12Å; A320-T322 VanDerWaalsContact C-N 3.31Å; A320-T322 PolarHBondContact O-N 3.15Å; A320-L323 PolarHBondContact O-N 2.85Å; A320-W324 WeakPolarHBondContact O-CB 3.34Å; A320-W324 PolarHBondContact O-N 3.38Å
321E96.8Very high94.7Very high120 Ų12056.5 Ų56.556%0.56129%0.285SS*.Hα-helixtrans-60.5-40.2176.8-72.7171.5-172.600112.1K317 K318 S319 W324 N325K317-E321 WeakPolarHBondContact O-CG 3.48Å; K317-E321 PolarHBondContact O-N 3.3Å; K318-E321 PolarHBondContact O-N 3.31Å; S319-E321 PolarHBondContact O-N 3.34Å; E321-W324 PolarHBondContact O-N 3.21Å; E321-N325 WeakPolarHBondContact O-CB 3.34Å; E321-N325 VanDerWaalsContact O-CG 3.28Å; E321-N325 PolarHBondContact O-N 2.91Å; E321-N325 PolarHBondContact O-ND2 2.88Å
322T94.6Very high93.9Very high50 Ų5056.2 Ų56.231%0.30728%0.282SS..Hα-helixtrans-61.6-46.6177.7-64.20000111.1K318 S319 A320K318-T322 PolarHBondContact O-N 3.49Å; K318-T322 PolarHBondContact O-OG1 3.43Å; S319-T322 WeakPolarHBondContact O-CB 3.28Å; S319-T322 PolarHBondContact O-N 3.03Å; A320-T322 VanDerWaalsContact C-N 3.31Å; A320-T322 PolarHBondContact O-N 3.15Å
323L94.5Very high93.7Very high1 Ų158.8 Ų58.81%0.00530%0.295CS..Hα-helixtrans-69.2-39.6176.4-66.9-164.2000112.6D141 I142 E192 I287 F288 L289 S319 A320 N325 I326 Q327D141-L323 HydrophobicContact CB-CD1 3.42Å; D141-L323 VanDerWaalsContact CB-CD1 3.42Å; I142-L323 HydrophobicContact CD1-CD2 4.09Å; I142-L323 HydrophobicContact CG1-CD2 4.11Å; E192-L323 HydrophobicContact CB-CD1 4.44Å; E192-L323 HydrophobicContact CB-CG 4.49Å; E192-L323 HydrophobicContact CG-CD2 3.99Å; E192-L323 HydrophobicContact CG-CG 4.49Å; I287-L323 HydrophobicContact CG2-CB 4.35Å; F288-L323 WeakPolarHBondContact O-CD1 3.5Å; L289-L323 HydrophobicContact CD2-CD1 3.33Å; L289-L323 HydrophobicContact CD2-CG 4.09Å; L289-L323 HydrophobicContact CG-CD1 4.17Å; S319-L323 PolarHBondContact O-N 2.75Å; S319-L323 VanDerWaalsContact O-N 3.12Å; A320-L323 PolarHBondContact O-N 2.85Å; L323-N325 VanDerWaalsContact C-N 3.29Å; L323-N325 PolarHBondContact O-N 3.01Å; L323-I326 PolarHBondContact O-N 3.29Å; L323-I326 VanDerWaalsContact O-N 3.1Å; L323-Q327 WeakPolarHBondContact O-CB 3.45Å; L323-Q327 PolarHBondContact O-N 3.45Å
324W95.4Very high93.5Very high84 Ų8458.8 Ų58.832%0.31830%0.296SS..Hα-helixtrans-60.1-40.2178.1-179.2-119.8000112.5E285 I287 A320 E321 I326 Q327 K328E285-W324 HydrophobicContact CB-CD2 4.01Å; E285-W324 HydrophobicContact CB-CE3 3.87Å; E285-W324 HydrophobicContact CB-CH2 4.23Å; E285-W324 HydrophobicContact CB-CZ2 4.35Å; E285-W324 HydrophobicContact CB-CZ3 3.99Å; E285-W324 HydrophobicContact CG-CD2 3.85Å; E285-W324 HydrophobicContact CG-CE3 4.2Å; E285-W324 HydrophobicContact CG-CG 4.38Å; E285-W324 HydrophobicContact CG-CH2 4.16Å; E285-W324 HydrophobicContact CG-CZ2 3.8Å; E285-W324 HydrophobicContact CG-CZ3 4.34Å; I287-W324 HydrophobicContact CD1-CB 3.73Å; I287-W324 HydrophobicContact CD1-CD2 4.5Å; I287-W324 HydrophobicContact CD1-CE3 4.42Å; I287-W324 HydrophobicContact CD1-CG 4.24Å; I287-W324 HydrophobicContact CG1-CB 4.18Å; I287-W324 HydrophobicContact CG1-CD2 4.46Å; I287-W324 HydrophobicContact CG1-CE3 3.9Å; A320-W324 WeakPolarHBondContact O-CB 3.34Å; A320-W324 PolarHBondContact O-N 3.38Å; E321-W324 PolarHBondContact O-N 3.21Å; W324-I326 PolarHBondContact O-N 3.34Å; W324-Q327 HydrophobicContact CE3-CB 4.31Å; W324-Q327 PolarHBondContact O-N 2.81Å; W324-K328 HydrophobicContact CD2-CB 4.3Å; W324-K328 HydrophobicContact CH2-CB 4.32Å; W324-K328 HydrophobicContact CZ2-CB 3.97Å; W324-K328 WeakPolarHBondContact O-CB 3.44Å; W324-K328 WeakPolarHBondContact O-CG 3.49Å; W324-K328 PolarHBondContact O-N 3.14Å
325N93.5Very high93.2Very high81 Ų8158.9 Ų58.943%0.43329%0.287SS..Hα-helixtrans-61.6-23.6177.9-78.5-37000113.5E321 L323 K328E321-N325 WeakPolarHBondContact O-CB 3.34Å; E321-N325 VanDerWaalsContact O-CG 3.28Å; E321-N325 PolarHBondContact O-N 2.91Å; E321-N325 PolarHBondContact O-ND2 2.88Å; L323-N325 VanDerWaalsContact C-N 3.29Å; L323-N325 PolarHBondContact O-N 3.01Å; N325-K328 PolarHBondContact OD1-NZ 3.44Å
326I91Very high93Very high25 Ų2558.2 Ų58.213%0.12828%0.282CS..Hα-helixtrans-90.1-44.6172.7-57166.9000109.8R106 L107 V110 I142 L323 W324 K328 D329R106-I326 HydrophobicContact CG-CD1 4.09Å; L107-I326 HydrophobicContact CD1-CG2 4.12Å; V110-I326 HydrophobicContact CG2-CG2 4.28Å; I142-I326 HydrophobicContact CD1-CB 3.87Å; I142-I326 HydrophobicContact CD1-CD1 4.02Å; I142-I326 HydrophobicContact CD1-CG2 3.69Å; L323-I326 PolarHBondContact O-N 3.29Å; L323-I326 VanDerWaalsContact O-N 3.1Å; W324-I326 PolarHBondContact O-N 3.34Å; I326-K328 VanDerWaalsContact C-N 3.35Å; I326-K328 PolarHBondContact O-N 3.26Å; I326-D329 PolarHBondContact O-N 3.12Å
327Q92.1Very high92.6Very high6 Ų661.9 Ų61.93%0.02830%0.299CS..Hα-helixtrans-63.9-36.6-173.5-171.1-177.6-46.400113.1Y145 E286 L323 W324 D329 L330Y145-Q327 VanDerWaalsContact CD1-CD 3.5Å; Y145-Q327 HydrophobicContact CD1-CG 3.6Å; Y145-Q327 VanDerWaalsContact CD2-NE2 3.26Å; Y145-Q327 HydrophobicContact CE1-CG 3.54Å; Y145-Q327 HydrophobicContact CG-CG 4.25Å; E286-Q327 PolarHBondContact O-NE2 3.17Å; L323-Q327 WeakPolarHBondContact O-CB 3.45Å; L323-Q327 PolarHBondContact O-N 3.45Å; W324-Q327 HydrophobicContact CE3-CB 4.31Å; W324-Q327 PolarHBondContact O-N 2.81Å; Q327-D329 PolarHBondContact O-N 3.36Å; Q327-L330 HydrophobicContact CB-CD1 4.48Å; Q327-L330 HydrophobicContact CG-CD1 4.17Å; Q327-L330 WeakPolarHBondContact O-CB 3.31Å; Q327-L330 WeakPolarHBondContact O-CG 2.9Å; Q327-L330 PolarHBondContact O-N 3.33Å
328K91.8Very high92.3Very high102 Ų10261.2 Ų61.244%0.44330%0.298SS..THydrogen-bonded Turntrans-66.4-24.3-177.973.9-171.7-175.7-1720113.5W324 N325 I326W324-K328 HydrophobicContact CD2-CB 4.3Å; W324-K328 HydrophobicContact CH2-CB 4.32Å; W324-K328 HydrophobicContact CZ2-CB 3.97Å; W324-K328 WeakPolarHBondContact O-CB 3.44Å; W324-K328 WeakPolarHBondContact O-CG 3.49Å; W324-K328 PolarHBondContact O-N 3.14Å; N325-K328 PolarHBondContact OD1-NZ 3.44Å; I326-K328 VanDerWaalsContact C-N 3.35Å; I326-K328 PolarHBondContact O-N 3.26Å
329D90.3Very high91.9Very high95 Ų9556.3 Ų56.351%0.50828%0.279SS..THydrogen-bonded Turntrans-96.54.7-177.4-61.9-35.5000112.1L107 I326 Q327L107-D329 HydrophobicContact CD1-CB 4.49Å; I326-D329 PolarHBondContact O-N 3.12Å; Q327-D329 PolarHBondContact O-N 3.36Å
330L88.3Confident91.4Very high17 Ų1760.5 Ų60.59%0.08930%0.3CS..  trans-72.6135179.2-65.2177.9000112.5L107 V110 V114 I142 I146 Q327 F332L107-L330 HydrophobicContact CD1-CD2 4.17Å; V110-L330 HydrophobicContact CB-CD2 4.22Å; V110-L330 HydrophobicContact CG1-CD1 4.31Å; V110-L330 HydrophobicContact CG1-CD2 3.39Å; V110-L330 HydrophobicContact CG1-CG 4.48Å; V114-L330 HydrophobicContact CG2-CD2 4.46Å; I142-L330 HydrophobicContact CG2-CD1 3.71Å; I146-L330 HydrophobicContact CD1-CD1 3.89Å; I146-L330 HydrophobicContact CG1-CD1 3.98Å; Q327-L330 HydrophobicContact CB-CD1 4.48Å; Q327-L330 HydrophobicContact CG-CD1 4.17Å; Q327-L330 WeakPolarHBondContact O-CB 3.31Å; Q327-L330 WeakPolarHBondContact O-CG 2.9Å; Q327-L330 PolarHBondContact O-N 3.33Å; L330-F332 HydrophobicContact CB-CE2 4.25Å
331V83.8Confident90.9Very high99 Ų9965.3 Ų65.360%0.632%0.323SS*.  trans-102.7112.3173.7-174.90000109.6Q111Q111-V331 PolarHBondContact NE2-O 2.94Å
332F78.9Confident90.4Very high104 Ų10460.4 Ų60.446%0.45630%0.301SS..  trans-82.60176.8-80.4-87.8000113.8K118 Y145 I146 K149 I150 L330K118-F332 WeakPolarHBondContact CE-OXT 3.42Å; K118-F332 PolarHBondContact NZ-O 2.91Å; K118-F332 PolarHBondContact NZ-OXT 2.79Å; Y145-F332 HydrophobicContact CD1-CZ 4.04Å; Y145-F332 AromaticContact CE1-CE2 3.69Å; Y145-F332 HydrophobicContact CE1-CE2 3.69Å; Y145-F332 AromaticContact CE1-CZ 3.44Å; Y145-F332 HydrophobicContact CE1-CZ 3.44Å; Y145-F332 VanDerWaalsContact CE1-CZ 3.44Å; I146-F332 HydrophobicContact CB-CE1 4.26Å; I146-F332 HydrophobicContact CB-CZ 4.45Å; I146-F332 HydrophobicContact CG1-CE1 4.15Å; I146-F332 HydrophobicContact CG1-CZ 3.94Å; I146-F332 HydrophobicContact CG2-CE1 4.09Å; K149-F332 HydrophobicContact CB-CD1 4.35Å; K149-F332 HydrophobicContact CB-CE1 3.63Å; K149-F332 HydrophobicContact CB-CZ 4Å; K149-F332 HydrophobicContact CG-CE1 4.13Å; K149-F332 HydrophobicContact CG-CZ 3.96Å; I150-F332 HydrophobicContact CG1-CD1 4.44Å; I150-F332 HydrophobicContact CG1-CE1 4.47Å; L330-F332 HydrophobicContact CB-CE2 4.25Å

Retrieved 332 of 332 residues in 1036.1 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).