A0A3Q0KBW6_SCHMA Loading...

Putative sex comb on midleg homolog AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KBW6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 789 aa.

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

 

Download Structure   AlphaSync Parameters   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
1M37.1Very low40.9Very low243 Ų243126.9 Ų126.9100%1.19778%0.78SS**  0137.70-68.2170.9177.100106.8
2G39.9Very low44Very low70 Ų70123.8 Ų123.872%0.72277%0.767SS**  trans-73.8147.8-173.400000113.2H4G2-H4 PolarHBondContact O-N 3.36Å
3C40.1Very low47.6Very low81 Ų81118.8 Ų118.855%0.54773%0.728SS.*  trans-74.565.4175.4-54.60000111V5C3-V5 VanDerWaalsContact C-N 3.31Å; C3-V5 PolarHBondContact O-N 3.45Å
4H36.4Very low50.9Low179 Ų179113.8 Ų113.883%0.82970%0.697SS**  trans-7878.7-175.9-132.6-74000111.1G2G2-H4 PolarHBondContact O-N 3.36Å
5V47.4Very low53.9Low121 Ų121107.4 Ų107.473%0.73366%0.655SS**  trans-76.1118.9165.4-177.20000107.6C3 A7C3-V5 VanDerWaalsContact C-N 3.31Å; C3-V5 PolarHBondContact O-N 3.45Å; V5-A7 PolarHBondContact O-N 3.3Å
6S36.3Very low56.5Low104 Ų104106.6 Ų106.673%0.72765%0.646SS**  trans-60.7121.5179-56.70000110.8D8S6-D8 PolarHBondContact O-N 3.4Å
7A37.8Very low58.7Low91 Ų91105.1 Ų105.175%0.75263%0.633SS**  trans-90.992-178.500000111.2V5 S9V5-A7 PolarHBondContact O-N 3.3Å; A7-S9 PolarHBondContact O-N 3.5Å
8D34.3Very low60.8Low139 Ų139100.4 Ų100.474%0.74360%0.603SS**  trans-65.5103.9161.1-76.9-27.5000108.3S6 S10 N11S6-D8 PolarHBondContact O-N 3.4Å; D8-S10 PolarHBondContact O-N 2.97Å; D8-N11 PolarHBondContact O-N 3.13Å
9S41.1Very low62.6Low117 Ų11796.6 Ų96.682%0.81858%0.579SS**THydrogen-bonded Turntrans-72.98.3-159.553.50000116.2A7A7-S9 PolarHBondContact O-N 3.5Å
10S43.9Very low64.2Low101 Ų10198.5 Ų98.571%0.70658%0.579SS**THydrogen-bonded Turntrans-106.6-11.1-177.756.80000115.1D8D8-S10 PolarHBondContact O-N 2.97Å
11N55.4Low65.5Low150 Ų150100.9 Ų100.980%0.80258%0.582SS**SBendtrans-129.217.8-173.6-87.8-39000114.5D8 F13D8-N11 PolarHBondContact O-N 3.13Å; N11-F13 PolarHBondContact O-N 3.49Å
12S78.6Confident68.2Low90 Ų9090.7 Ų90.763%0.62953%0.534SS*.  trans-65125.6178.557.90000112.4T14S12-T14 PolarHBondContact O-N 3.38Å
13F90.9Very high70.7Confident59 Ų5994 Ų9426%0.25954%0.535SS..  trans-65132.3177.7172.7-100000112.6N11 W15 Y18 P217 L263 P265 P266N11-F13 PolarHBondContact O-N 3.49Å; F13-W15 AromaticContact CE1-CD2 3.95Å; F13-W15 HydrophobicContact CE1-CD2 3.95Å; F13-W15 HydrophobicContact CE1-CG 4.04Å; F13-W15 AromaticContact CZ-CD2 3.94Å; F13-W15 HydrophobicContact CZ-CD2 3.94Å; F13-W15 HydrophobicContact CZ-CE3 4.04Å; F13-W15 HydrophobicContact CZ-CG 4.34Å; F13-W15 HydrophobicContact CZ-CZ3 4.47Å; F13-Y18 AromaticContact CE2-CD1 3.89Å; F13-Y18 HydrophobicContact CE2-CD1 3.89Å; F13-Y18 HydrophobicContact CE2-CD2 4.05Å; F13-Y18 AromaticContact CE2-CG 3.54Å; F13-Y18 HydrophobicContact CE2-CG 3.54Å; F13-Y18 AromaticContact CZ-CD1 3.9Å; F13-Y18 HydrophobicContact CZ-CD1 3.9Å; F13-Y18 AromaticContact CZ-CG 3.98Å; F13-Y18 HydrophobicContact CZ-CG 3.98Å; F13-P217 HydrophobicContact CE1-CG 3.8Å; F13-P217 HydrophobicContact CE2-CG 4.48Å; F13-P217 HydrophobicContact CZ-CB 4.4Å; F13-P217 HydrophobicContact CZ-CG 3.73Å; F13-L263 HydrophobicContact CD1-CD2 4Å; F13-L263 HydrophobicContact CE1-CD2 3.72Å; F13-P265 HydrophobicContact CB-CB 4.26Å; F13-P266 HydrophobicContact CD2-CG 4.09Å; F13-P266 HydrophobicContact CE2-CG 3.54Å; F13-P266 HydrophobicContact CZ-CG 4.15Å
14T93.9Very high73.2Confident48 Ų4891 Ų9129%0.29452%0.517SS..  trans-121.4135.917258.10000110.1S12 D17 Y18S12-T14 PolarHBondContact O-N 3.38Å; T14-D17 WeakPolarHBondContact OG1-CB 3.42Å; T14-D17 PolarHBondContact OG1-OD2 3.46Å; T14-Y18 VanDerWaalsContact O-CB 3.3Å; T14-Y18 WeakPolarHBondContact O-CB 3.42Å; T14-Y18 PolarHBondContact O-N 3.12Å
15W95.9Very high76Confident18 Ų1887.8 Ų87.87%0.06850%0.498CS..Hα-helixtrans-66.4-40.5174-87.9119.6000112.1F13 D17 Y18 L19 K203 L204 E205 P217 V253 L263F13-W15 AromaticContact CE1-CD2 3.95Å; F13-W15 HydrophobicContact CE1-CD2 3.95Å; F13-W15 HydrophobicContact CE1-CG 4.04Å; F13-W15 AromaticContact CZ-CD2 3.94Å; F13-W15 HydrophobicContact CZ-CD2 3.94Å; F13-W15 HydrophobicContact CZ-CE3 4.04Å; F13-W15 HydrophobicContact CZ-CG 4.34Å; F13-W15 HydrophobicContact CZ-CZ3 4.47Å; W15-D17 VanDerWaalsContact C-N 3.32Å; W15-D17 PolarHBondContact O-N 3.26Å; W15-Y18 AromaticContact CE3-CD1 3.96Å; W15-Y18 HydrophobicContact CE3-CD1 3.96Å; W15-Y18 AromaticContact CZ3-CD1 3.8Å; W15-Y18 HydrophobicContact CZ3-CD1 3.8Å; W15-Y18 HydrophobicContact CZ3-CE1 4.22Å; W15-Y18 PolarHBondContact O-N 3.32Å; W15-L19 HydrophobicContact CE3-CD2 4.19Å; W15-L19 HydrophobicContact CE3-CG 4.23Å; W15-L19 HydrophobicContact CZ3-CD2 4.35Å; W15-L19 WeakPolarHBondContact O-CB 3.31Å; W15-L19 VanDerWaalsContact O-CG 3.26Å; W15-L19 WeakPolarHBondContact O-CG 3.42Å; W15-L19 PolarHBondContact O-N 3.48Å; W15-K203 HydrophobicContact CH2-CB 4.44Å; W15-K203 HydrophobicContact CZ3-CB 4.12Å; W15-L204 WeakPolarHBondContact CH2-O 3.2Å; W15-L204 WeakPolarHBondContact CZ2-O 3.45Å; W15-E205 HydrophobicContact CZ2-CG 3.62Å; W15-E205 PolarHBondContact NE1-OE1 2.81Å; W15-P217 HydrophobicContact CH2-CB 3.59Å; W15-P217 HydrophobicContact CH2-CG 4.2Å; W15-P217 HydrophobicContact CZ2-CB 3.86Å; W15-P217 HydrophobicContact CZ2-CG 4.01Å; W15-P217 HydrophobicContact CZ3-CB 4.34Å; W15-V253 HydrophobicContact CB-CG1 3.75Å; W15-V253 HydrophobicContact CD2-CB 4.41Å; W15-V253 HydrophobicContact CD2-CG1 3.6Å; W15-V253 HydrophobicContact CD2-CG2 4.2Å; W15-V253 HydrophobicContact CE3-CG1 4.03Å; W15-V253 HydrophobicContact CE3-CG2 4.17Å; W15-V253 HydrophobicContact CG-CG1 3.49Å; W15-V253 VanDerWaalsContact CG-CG1 3.49Å; W15-V253 HydrophobicContact CH2-CG2 4.05Å; W15-V253 HydrophobicContact CZ2-CG2 4.07Å; W15-V253 HydrophobicContact CZ3-CG2 4.11Å; W15-L263 HydrophobicContact CZ2-CD2 4.49Å; W15-L263 VanDerWaalsContact NE1-CD2 3.26Å
16D95.1Very high78.4Confident94 Ų9484.8 Ų84.850%0.50348%0.481SS..Hα-helixtrans-57.9-44-176.3-55.7-73.6000112.1K20D16-K20 WeakPolarHBondContact O-CD 2.92Å; D16-K20 WeakPolarHBondContact O-CE 3.48Å; D16-K20 WeakPolarHBondContact O-CG 3.31Å; D16-K20 PolarHBondContact O-N 3.19Å
17D94.2Very high81.3Confident82 Ų8280.1 Ų80.144%0.43945%0.449SS..Hα-helixtrans-81.7-28.2-179.5-51.3-53.7000112T14 W15 K20 K21T14-D17 WeakPolarHBondContact OG1-CB 3.42Å; T14-D17 PolarHBondContact OG1-OD2 3.46Å; W15-D17 VanDerWaalsContact C-N 3.32Å; W15-D17 PolarHBondContact O-N 3.26Å; D17-K20 IonicContact OD1-NZ 2.88Å; D17-K20 PolarHBondContact OD1-NZ 3.05Å; D17-K21 WeakPolarHBondContact O-CB 3.42Å; D17-K21 PolarHBondContact O-N 3.12Å
18Y95.5Very high84.1Confident21 Ų2181.3 Ų81.38%0.08244%0.437CS..Hα-helixtrans-68.8-41.7172.7-172.8-117.6000113F13 T14 W15 K21 T22 D233 P266 V270F13-Y18 AromaticContact CE2-CD1 3.89Å; F13-Y18 HydrophobicContact CE2-CD1 3.89Å; F13-Y18 HydrophobicContact CE2-CD2 4.05Å; F13-Y18 AromaticContact CE2-CG 3.54Å; F13-Y18 HydrophobicContact CE2-CG 3.54Å; F13-Y18 AromaticContact CZ-CD1 3.9Å; F13-Y18 HydrophobicContact CZ-CD1 3.9Å; F13-Y18 AromaticContact CZ-CG 3.98Å; F13-Y18 HydrophobicContact CZ-CG 3.98Å; T14-Y18 VanDerWaalsContact O-CB 3.3Å; T14-Y18 WeakPolarHBondContact O-CB 3.42Å; T14-Y18 PolarHBondContact O-N 3.12Å; W15-Y18 AromaticContact CE3-CD1 3.96Å; W15-Y18 HydrophobicContact CE3-CD1 3.96Å; W15-Y18 AromaticContact CZ3-CD1 3.8Å; W15-Y18 HydrophobicContact CZ3-CD1 3.8Å; W15-Y18 HydrophobicContact CZ3-CE1 4.22Å; W15-Y18 PolarHBondContact O-N 3.32Å; Y18-K21 PolarHBondContact O-N 3.2Å; Y18-T22 HydrophobicContact CD2-CG2 4Å; Y18-T22 HydrophobicContact CE1-CG2 4.26Å; Y18-T22 HydrophobicContact CE2-CG2 3.49Å; Y18-T22 VanDerWaalsContact CE2-CG2 3.49Å; Y18-T22 WeakPolarHBondContact O-CB 3.45Å; Y18-T22 WeakPolarHBondContact O-CG2 3.45Å; Y18-T22 PolarHBondContact O-N 3.15Å; Y18-T22 PolarHBondContact O-OG1 3.47Å; Y18-D233 WeakPolarHBondContact CE1-OD2 3.41Å; Y18-D233 PolarHBondContact OH-OD2 3.28Å; Y18-P266 HydrophobicContact CD1-CG 4.45Å; Y18-P266 HydrophobicContact CD2-CG 4.27Å; Y18-P266 HydrophobicContact CE1-CG 4.08Å; Y18-P266 HydrophobicContact CE2-CB 4.46Å; Y18-P266 HydrophobicContact CE2-CG 3.9Å; Y18-V270 HydrophobicContact CE2-CG1 3.9Å; Y18-V270 HydrophobicContact CE2-CG2 4.39Å
19L95.9Very high87Confident27 Ų2778.4 Ų78.414%0.14142%0.421CS..Hα-helixtrans-64-46174.8-67.5174.9000110.8W15 K21 T22 N23 G24 P26 K203 V253W15-L19 HydrophobicContact CE3-CD2 4.19Å; W15-L19 HydrophobicContact CE3-CG 4.23Å; W15-L19 HydrophobicContact CZ3-CD2 4.35Å; W15-L19 WeakPolarHBondContact O-CB 3.31Å; W15-L19 VanDerWaalsContact O-CG 3.26Å; W15-L19 WeakPolarHBondContact O-CG 3.42Å; W15-L19 PolarHBondContact O-N 3.48Å; L19-K21 VanDerWaalsContact C-N 3.35Å; L19-K21 PolarHBondContact O-N 2.82Å; L19-T22 PolarHBondContact O-N 3.48Å; L19-N23 WeakPolarHBondContact O-CA 3.37Å; L19-N23 PolarHBondContact O-N 3.11Å; L19-G24 WeakPolarHBondContact CD2-O 3.36Å; L19-G24 PolarHBondContact O-N 2.96Å; L19-G24 VanDerWaalsContact O-N 3.11Å; L19-P26 HydrophobicContact CD1-CB 4.36Å; L19-P26 HydrophobicContact CD1-CG 4.23Å; L19-K203 HydrophobicContact CD2-CB 3.99Å; L19-K203 HydrophobicContact CD2-CG 3.84Å; L19-V253 HydrophobicContact CD1-CG1 4.23Å
20K94.3Very high89.6Confident135 Ų13577.7 Ų77.759%0.58741%0.405SS*.Hα-helixtrans-56-46.2172-68.9165.3-1481610111.9D16 D17 T22D16-K20 WeakPolarHBondContact O-CD 2.92Å; D16-K20 WeakPolarHBondContact O-CE 3.48Å; D16-K20 WeakPolarHBondContact O-CG 3.31Å; D16-K20 PolarHBondContact O-N 3.19Å; D17-K20 IonicContact OD1-NZ 2.88Å; D17-K20 PolarHBondContact OD1-NZ 3.05Å; K20-T22 VanDerWaalsContact C-N 3.35Å; K20-T22 PolarHBondContact O-N 3Å
21K92.3Very high92.1Very high148 Ų14873 Ų7364%0.64337%0.371SS*.Hα-helixtrans-68.9-29.3-177.8-178.5173.6179.1176.10113.7D17 Y18 L19D17-K21 WeakPolarHBondContact O-CB 3.42Å; D17-K21 PolarHBondContact O-N 3.12Å; Y18-K21 PolarHBondContact O-N 3.2Å; L19-K21 VanDerWaalsContact C-N 3.35Å; L19-K21 PolarHBondContact O-N 2.82Å
22T92Very high94.1Very high30 Ų3066.3 Ų66.318%0.18434%0.335CS..Hα-helixtrans-104.1-4.1-176.656.40000114.3Y18 L19 K20 G24 I275Y18-T22 HydrophobicContact CD2-CG2 4Å; Y18-T22 HydrophobicContact CE1-CG2 4.26Å; Y18-T22 HydrophobicContact CE2-CG2 3.49Å; Y18-T22 VanDerWaalsContact CE2-CG2 3.49Å; Y18-T22 WeakPolarHBondContact O-CB 3.45Å; Y18-T22 WeakPolarHBondContact O-CG2 3.45Å; Y18-T22 PolarHBondContact O-N 3.15Å; Y18-T22 PolarHBondContact O-OG1 3.47Å; L19-T22 PolarHBondContact O-N 3.48Å; K20-T22 VanDerWaalsContact C-N 3.35Å; K20-T22 PolarHBondContact O-N 3Å; T22-G24 PolarHBondContact O-N 3.13Å; T22-G24 PolarHBondContact OG1-N 3.25Å; T22-I275 VanDerWaalsContact O-CD1 3.27Å; T22-I275 WeakPolarHBondContact O-CD1 3.42Å
23N93.1Very high95Very high140 Ų14062.8 Ų62.875%0.74931%0.309SS*.THydrogen-bonded Turntrans48.633.5-162.7-66.6-34.7000112.5L19 I275L19-N23 WeakPolarHBondContact O-CA 3.37Å; L19-N23 PolarHBondContact O-N 3.11Å; N23-I275 HydrophobicContact CB-CD1 4.49Å
24G91.8Very high95.2Very high16 Ų1660.4 Ų60.417%0.16530%0.299CS..PPolyproline II helixtrans-71.8137.6-178.600000111.8L19 T22L19-G24 WeakPolarHBondContact CD2-O 3.36Å; L19-G24 PolarHBondContact O-N 2.96Å; L19-G24 VanDerWaalsContact O-N 3.11Å; T22-G24 PolarHBondContact O-N 3.13Å; T22-G24 PolarHBondContact OG1-N 3.25Å
25R96Very high95.1Very high112 Ų11259.4 Ų59.442%0.42329%0.293SS..EExtended strand (participates in β ladder)trans-95.2120171179.8-179.564.7-122.3-13.1108.7V200 D202 K203R25-V200 PolarHBondContact NH2-O 3.25Å; R25-D202 IonicContact CZ-OD1 3.06Å; R25-D202 IonicContact NE-OD1 3.26Å; R25-D202 PolarHBondContact NE-OD1 3.1Å; R25-D202 IonicContact NH2-OD1 2.75Å; R25-D202 PolarHBondContact NH2-OD1 2.71Å; R25-D202 CarbonylContact O-C 3.55Å; R25-D202 WeakPolarHBondContact O-CA 3.43Å; R25-K203 PolarHBondContact O-N 3.13Å
26P97.9Very high94.6Very high58 Ų5865.3 Ų65.338%0.37733%0.325SS..EExtended strand (participates in β ladder)trans-64.6138.3170.928.1-33.1000110.1L19 V253L19-P26 HydrophobicContact CD1-CB 4.36Å; L19-P26 HydrophobicContact CD1-CG 4.23Å; P26-V253 HydrophobicContact CB-CB 3.93Å; P26-V253 HydrophobicContact CB-CG1 4.38Å; P26-V253 HydrophobicContact CB-CG2 3.85Å
27A97.8Very high94.4Very high7 Ų766.3 Ų66.36%0.05834%0.335CS..PPolyproline II helixtrans-55.1138.1168.100000109.8F32 F198 D202 K203A27-F32 HydrophobicContact CB-CE2 3.53Å; A27-F32 HydrophobicContact CB-CZ 3.58Å; A27-F198 HydrophobicContact CB-CD1 4Å; A27-F198 HydrophobicContact CB-CE1 3.74Å; A27-D202 HydrophobicContact CB-CB 3.98Å; A27-K203 WeakPolarHBondContact CB-O 3.32Å; A27-K203 PolarHBondContact N-O 3.03Å
28K96.8Very high94.5Very high116 Ų11663.3 Ų63.350%0.50432%0.32SS..PPolyproline II helixtrans-65.6150.7176-64.7-176.5179.3-173.40111.1E30 C31 F32K28-E30 HydrophobicContact CB-CG 3.85Å; K28-E30 HydrophobicContact CD-CG 3.82Å; K28-E30 WeakPolarHBondContact CD-OE1 3.44Å; K28-E30 WeakPolarHBondContact CE-OE1 3.33Å; K28-E30 IonicContact NZ-OE1 3.18Å; K28-E30 PolarHBondContact NZ-OE1 3.33Å; K28-E30 IonicContact NZ-OE2 2.63Å; K28-E30 PolarHBondContact NZ-OE2 2.81Å; K28-E30 PolarHBondContact O-N 3.15Å; K28-C31 WeakPolarHBondContact O-CB 3.35Å; K28-C31 PolarHBondContact O-N 2.72Å; K28-C31 VanDerWaalsContact O-N 3.1Å; K28-C31 PolarHBondContact O-SG 3.39Å; K28-F32 VanDerWaalsContact O-CD2 3.25Å; K28-F32 WeakPolarHBondContact O-CD2 3.42Å; K28-F32 WeakPolarHBondContact O-CE2 3.24Å
29L94.4Very high94.5Very high78 Ų7862.9 Ų62.941%0.40832%0.319SS..G310 helixtrans-61.7-30.7177.2-169.351.1000113C31 F32 L36 P252L29-C31 PolarHBondContact O-N 2.85Å; L29-F32 PolarHBondContact O-N 2.81Å; L29-L36 HydrophobicContact CD1-CD2 4.44Å; L29-L36 HydrophobicContact CD2-CD2 3.49Å; L29-L36 VanDerWaalsContact CD2-CD2 3.49Å; L29-L36 HydrophobicContact CG-CD2 3.79Å; L29-P252 HydrophobicContact CD1-CB 3.97Å; L29-P252 HydrophobicContact CD1-CG 3.66Å
30E95.1Very high94.4Very high102 Ų10264.8 Ų64.848%0.47733%0.334SS..G310 helixtrans-63.8-14.5175.473-164.8-153.700114.4K28 Y197K28-E30 HydrophobicContact CB-CG 3.85Å; K28-E30 HydrophobicContact CD-CG 3.82Å; K28-E30 WeakPolarHBondContact CD-OE1 3.44Å; K28-E30 WeakPolarHBondContact CE-OE1 3.33Å; K28-E30 IonicContact NZ-OE1 3.18Å; K28-E30 PolarHBondContact NZ-OE1 3.33Å; K28-E30 IonicContact NZ-OE2 2.63Å; K28-E30 PolarHBondContact NZ-OE2 2.81Å; K28-E30 PolarHBondContact O-N 3.15Å; E30-Y197 HydrophobicContact CG-CD2 4.43Å
31C97Very high94.6Very high1 Ų160.6 Ų60.61%0.00732%0.317CS..G310 helixtrans-78.6-17.5177.6-55.70000113.4K28 L29 Y197 F198K28-C31 WeakPolarHBondContact O-CB 3.35Å; K28-C31 PolarHBondContact O-N 2.72Å; K28-C31 VanDerWaalsContact O-N 3.1Å; K28-C31 PolarHBondContact O-SG 3.39Å; L29-C31 PolarHBondContact O-N 2.85Å; C31-Y197 VanDerWaalsContact SG-C 3.57Å; C31-F198 HydrophobicContact CB-CD1 3.93Å; C31-F198 HydrophobicContact CB-CD2 3.8Å; C31-F198 HydrophobicContact CB-CE1 3.77Å; C31-F198 HydrophobicContact CB-CE2 3.65Å; C31-F198 HydrophobicContact CB-CG 3.95Å; C31-F198 HydrophobicContact CB-CZ 3.63Å; C31-F198 WeakPolarHBondContact O-CE2 3.32Å
32F97.7Very high94.8Very high11 Ų1160 Ų605%0.04831%0.312CS..  trans-108.1135.9-165.2-64.7-89.3000113.5A27 K28 L29 Q34 F198 L204 L250 F251 P252A27-F32 HydrophobicContact CB-CE2 3.53Å; A27-F32 HydrophobicContact CB-CZ 3.58Å; K28-F32 VanDerWaalsContact O-CD2 3.25Å; K28-F32 WeakPolarHBondContact O-CD2 3.42Å; K28-F32 WeakPolarHBondContact O-CE2 3.24Å; L29-F32 PolarHBondContact O-N 2.81Å; F32-Q34 HydrophobicContact CB-CB 4.19Å; F32-Q34 HydrophobicContact CB-CG 4.06Å; F32-Q34 PolarHBondContact O-N 3.08Å; F32-F198 HydrophobicContact CD1-CE1 4.48Å; F32-F198 AromaticContact CD1-CZ 3.84Å; F32-F198 HydrophobicContact CD1-CZ 3.84Å; F32-F198 HydrophobicContact CD2-CZ 4.42Å; F32-F198 AromaticContact CE1-CE1 3.85Å; F32-F198 HydrophobicContact CE1-CE1 3.85Å; F32-F198 AromaticContact CE1-CZ 3.61Å; F32-F198 HydrophobicContact CE1-CZ 3.61Å; F32-F198 HydrophobicContact CE2-CE1 4.08Å; F32-F198 HydrophobicContact CE2-CZ 4.22Å; F32-F198 HydrophobicContact CG-CZ 4.24Å; F32-F198 AromaticContact CZ-CE1 3.63Å; F32-F198 HydrophobicContact CZ-CE1 3.63Å; F32-F198 AromaticContact CZ-CZ 3.82Å; F32-F198 HydrophobicContact CZ-CZ 3.82Å; F32-L204 HydrophobicContact CE1-CB 4.13Å; F32-L204 HydrophobicContact CE1-CD1 4.25Å; F32-L204 HydrophobicContact CZ-CB 3.83Å; F32-L250 HydrophobicContact CD1-CB 4.07Å; F32-L250 HydrophobicContact CE1-CB 4.08Å; F32-F251 VanDerWaalsContact CE1-O 3.23Å; F32-F251 WeakPolarHBondContact CE1-O 3.01Å; F32-F251 WeakPolarHBondContact CZ-O 3.23Å; F32-P252 HydrophobicContact CD2-CB 3.93Å; F32-P252 HydrophobicContact CD2-CG 4.49Å; F32-P252 HydrophobicContact CE2-CB 3.75Å; F32-P252 HydrophobicContact CZ-CB 4.21Å
33K96.8Very high95.1Very high16 Ų1659 Ų597%0.0731%0.305CS..SBendtrans-76.868.4160.7-168.7172-175.3168.60110.4Q189 P190 D192 P193 D246 R248K33-Q189 VanDerWaalsContact CE-OE1 3.29Å; K33-P190 WeakPolarHBondContact CE-O 3.49Å; K33-P190 HydrophobicContact CG-CG 4.35Å; K33-D192 VanDerWaalsContact CD-OD1 3.26Å; K33-D192 WeakPolarHBondContact CD-OD1 3.44Å; K33-D192 WeakPolarHBondContact CE-OD1 3.09Å; K33-D192 IonicContact NZ-OD1 2.88Å; K33-D192 PolarHBondContact NZ-OD1 3.15Å; K33-D192 IonicContact NZ-OD2 3.27Å; K33-P193 HydrophobicContact CB-CG 4.47Å; K33-D246 HydrophobicContact CB-CB 4.37Å; K33-D246 WeakPolarHBondContact CB-O 3.36Å; K33-D246 HydrophobicContact CD-CB 4.38Å; K33-R248 WeakPolarHBondContact O-CD 3.5Å; K33-R248 PolarHBondContact O-NE 3.43Å
34Q96.1Very high95.3Very high9 Ų956.3 Ų56.34%0.04229%0.288CS..SBendtrans-139.9147.9179.4-62.9-62.2-4.800111.8F32 R248 L250 F251F32-Q34 HydrophobicContact CB-CB 4.19Å; F32-Q34 HydrophobicContact CB-CG 4.06Å; F32-Q34 PolarHBondContact O-N 3.08Å; Q34-R248 PolarHBondContact NE2-O 2.92Å; Q34-L250 VanDerWaalsContact CG-O 3.29Å; Q34-L250 WeakPolarHBondContact CG-O 2.95Å; Q34-L250 PolarHBondContact NE2-O 3.06Å; Q34-F251 HydrophobicContact CG-CD1 4.02Å; Q34-F251 VanDerWaalsContact NE2-CD1 3.29Å
35S91.7Very high95.5Very high26 Ų2658.7 Ų58.718%0.18230%0.299CS..  trans-66.7131.7174.1-60.90000110.4V37 D141S35-V37 CarbonylContact C-O 2.99Å; S35-V37 VanDerWaalsContact CB-O 3.26Å; S35-V37 WeakPolarHBondContact CB-O 3.39Å; S35-V37 CarbonylContact O-C 3.58Å; S35-V37 PolarHBondContact O-N 3.13Å; S35-D141 PolarHBondContact OG-OD2 3.1Å
36L84.5Confident95.6Very high142 Ų14258 Ų5874%0.74330%0.304SS*.SBendtrans-55.9-35.6-176.1-56.9177000112.8L29L29-L36 HydrophobicContact CD1-CD2 4.44Å; L29-L36 HydrophobicContact CD2-CD2 3.49Å; L29-L36 VanDerWaalsContact CD2-CD2 3.49Å; L29-L36 HydrophobicContact CG-CD2 3.79Å
37V91.8Very high95.6Very high115 Ų11555.3 Ų55.370%0.69729%0.287SS*.SBendtrans-111.4132.9167.2-178.90000106.2S35S35-V37 CarbonylContact C-O 2.99Å; S35-V37 VanDerWaalsContact CB-O 3.26Å; S35-V37 WeakPolarHBondContact CB-O 3.39Å; S35-V37 CarbonylContact O-C 3.58Å; S35-V37 PolarHBondContact O-N 3.13Å
38P95Very high95.6Very high20 Ų2055 Ų5513%0.1328%0.284CS..PPolyproline II helixtrans-56.9134.8176.4-24.633.5000111.5W255 S258 A259P38-W255 HydrophobicContact CB-CZ2 4.25Å; P38-S258 WeakPolarHBondContact CG-OG 3.34Å; P38-A259 HydrophobicContact CB-CB 3.72Å; P38-A259 HydrophobicContact CG-CB 3.76Å
39P95.3Very high95.6Very high11 Ų1149.5 Ų49.57%0.07126%0.26CS..PPolyproline II helixtrans-68140.5-17728.1-35.8000111.6P121 V140 D141 I187P39-P121 HydrophobicContact CG-CB 3.97Å; P39-P121 WeakPolarHBondContact O-CB 3.39Å; P39-V140 HydrophobicContact CB-CG2 3.72Å; P39-V140 HydrophobicContact CG-CG2 3.52Å; P39-D141 HydrophobicContact CG-CB 4.25Å; P39-I187 HydrophobicContact CB-CD1 3.72Å; P39-I187 HydrophobicContact CB-CG2 4.13Å
40P95.9Very high95.8Very high68 Ų6845.9 Ų45.944%0.44224%0.241SC..PPolyproline II helixtrans-65.1146.8175.128.4-35.5000111.3Y42 I187P40-Y42 HydrophobicContact CB-CE1 4.38Å; P40-Y42 HydrophobicContact CB-CE2 3.9Å; P40-Y42 HydrophobicContact CG-CE2 3.65Å; P40-Y42 WeakPolarHBondContact CG-OH 3.44Å; P40-I187 HydrophobicContact CG-CD1 4.13Å; P40-I187 WeakPolarHBondContact O-CD1 3.45Å
41N97Very high95.9Very high46 Ų4641 Ų4125%0.24622%0.218CC..  trans-108118.7179.7-171.5-6.5000111.2F43 G120 L123 V140N41-F43 WeakPolarHBondContact OD1-CD2 3.32Å; N41-F43 PolarHBondContact OD1-N 3.39Å; N41-G120 VanDerWaalsContact CB-O 3.28Å; N41-G120 WeakPolarHBondContact CB-O 3.28Å; N41-G120 PolarHBondContact ND2-O 3.09Å; N41-L123 WeakPolarHBondContact ND2-CD2 3.49Å; N41-V140 HydrophobicContact CB-CG1 4.1Å
42Y97.5Very high95.7Very high135 Ų13542.7 Ų42.753%0.52923%0.226SC..  trans-110.51.5179.8-57.1-65.1000113.7P40 E44 W185P40-Y42 HydrophobicContact CB-CE1 4.38Å; P40-Y42 HydrophobicContact CB-CE2 3.9Å; P40-Y42 HydrophobicContact CG-CE2 3.65Å; P40-Y42 WeakPolarHBondContact CG-OH 3.44Å; Y42-E44 PolarHBondContact O-N 3.37Å; Y42-W185 VanDerWaalsContact CB-CD1 3.48Å
43F97.8Very high95.5Very high11 Ų1142.2 Ų42.25%0.04822%0.224CC..PPolyproline II helixtrans-73.4127.7-174.8-73.1-100.2000112.7N41 L49 V115 T118 L123 V140 I145 A181 W185 F186N41-F43 WeakPolarHBondContact OD1-CD2 3.32Å; N41-F43 PolarHBondContact OD1-N 3.39Å; F43-L49 HydrophobicContact CD1-CD2 4Å; F43-L49 HydrophobicContact CE1-CD2 3.63Å; F43-V115 HydrophobicContact CD1-CG2 4.22Å; F43-T118 HydrophobicContact CB-CG2 4.45Å; F43-L123 HydrophobicContact CB-CD1 4.34Å; F43-L123 HydrophobicContact CB-CD2 3.67Å; F43-L123 HydrophobicContact CD1-CD1 3.79Å; F43-L123 HydrophobicContact CD2-CD1 3.69Å; F43-L123 HydrophobicContact CD2-CD2 3.9Å; F43-L123 HydrophobicContact CD2-CG 4.36Å; F43-L123 HydrophobicContact CE1-CD1 3.93Å; F43-L123 HydrophobicContact CE2-CD1 3.82Å; F43-L123 HydrophobicContact CG-CD1 3.67Å; F43-L123 HydrophobicContact CG-CD2 3.84Å; F43-L123 HydrophobicContact CG-CG 4.42Å; F43-L123 HydrophobicContact CZ-CD1 3.95Å; F43-V140 HydrophobicContact CD2-CB 4.42Å; F43-V140 HydrophobicContact CD2-CG1 3.65Å; F43-V140 HydrophobicContact CE2-CB 4.01Å; F43-V140 HydrophobicContact CE2-CG1 3.71Å; F43-I145 HydrophobicContact CZ-CD1 4.19Å; F43-A181 HydrophobicContact CD1-CB 3.79Å; F43-A181 HydrophobicContact CE1-CB 3.62Å; F43-W185 HydrophobicContact CB-CE3 4.33Å; F43-W185 AromaticContact CD1-CE3 3.91Å; F43-W185 HydrophobicContact CD1-CE3 3.91Å; F43-W185 HydrophobicContact CD2-CB 4.09Å; F43-W185 HydrophobicContact CE1-CB 4.41Å; F43-W185 HydrophobicContact CE1-CE3 4.41Å; F43-W185 HydrophobicContact CE2-CB 3.8Å; F43-W185 WeakPolarHBondContact CE2-O 3.29Å; F43-W185 HydrophobicContact CG-CE3 4.07Å; F43-W185 HydrophobicContact CZ-CB 3.96Å; F43-F186 HydrophobicContact CE1-CD1 4.42Å; F43-F186 HydrophobicContact CE1-CD2 4.46Å; F43-F186 AromaticContact CE1-CE1 3.85Å; F43-F186 HydrophobicContact CE1-CE1 3.85Å; F43-F186 AromaticContact CE1-CE2 3.92Å; F43-F186 HydrophobicContact CE1-CE2 3.92Å; F43-F186 AromaticContact CE1-CZ 3.59Å; F43-F186 HydrophobicContact CE1-CZ 3.59Å; F43-F186 AromaticContact CZ-CD1 3.86Å; F43-F186 HydrophobicContact CZ-CD1 3.86Å; F43-F186 HydrophobicContact CZ-CD2 4.09Å; F43-F186 AromaticContact CZ-CE1 3.75Å; F43-F186 HydrophobicContact CZ-CE1 3.75Å; F43-F186 HydrophobicContact CZ-CE2 4.01Å; F43-F186 HydrophobicContact CZ-CG 4.04Å; F43-F186 AromaticContact CZ-CZ 3.84Å; F43-F186 HydrophobicContact CZ-CZ 3.84Å
44E97.1Very high95.1Very high82 Ų8243.5 Ų43.538%0.38323%0.23SC..PPolyproline II helixtrans-80.5137.1169.8-65.4-179.1160.900111.6Y42 T47 R179 W185Y42-E44 PolarHBondContact O-N 3.37Å; E44-T47 HydrophobicContact CB-CG2 3.72Å; E44-T47 WeakPolarHBondContact O-CB 3.09Å; E44-T47 WeakPolarHBondContact O-CG2 3.48Å; E44-T47 PolarHBondContact O-N 3.24Å; E44-T47 PolarHBondContact O-OG1 2.72Å; E44-R179 VanDerWaalsContact CD-NH1 3.29Å; E44-R179 IonicContact OE1-NH1 2.99Å; E44-R179 PolarHBondContact OE1-NH1 3.08Å; E44-R179 WeakPolarHBondContact OE2-CD 3.5Å; E44-R179 IonicContact OE2-CZ 3.8Å; E44-R179 IonicContact OE2-NH1 2.77Å; E44-R179 PolarHBondContact OE2-NH1 3.21Å; E44-W185 HydrophobicContact CB-CH2 4.29Å; E44-W185 HydrophobicContact CG-CH2 3.96Å
45V97.2Very high94.6Very high66 Ų6645.3 Ų45.340%0.424%0.237SC..THydrogen-bonded Turntrans-60.9144.2170.7174.90000110.5T47 I116 T118V45-T47 VanDerWaalsContact C-N 3.29Å; V45-T47 PolarHBondContact O-N 2.95Å; V45-I116 VanDerWaalsContact CG1-O 3.3Å; V45-I116 WeakPolarHBondContact CG1-O 3.27Å; V45-T118 HydrophobicContact CG2-CG2 4.05Å
46N96.3Very high94.2Very high99 Ų9945.9 Ų45.953%0.52924%0.241SC..THydrogen-bonded Turntrans69.85.3-170.3-59.5-63.5000116.4R114 V115N46-R114 VanDerWaalsContact O-CZ 3.26Å; N46-R114 PolarHBondContact O-NE 2.85Å; N46-R114 PolarHBondContact O-NH2 2.9Å; N46-V115 WeakPolarHBondContact CA-O 3.16Å; N46-V115 PolarHBondContact N-O 3.14Å
47T97.9Very high93.7Very high1 Ų139.6 Ų39.61%0.00621%0.21CC..  trans-70.7154.5168.155.10000112.5E44 V45 R114 V115 R179 W185E44-T47 HydrophobicContact CB-CG2 3.72Å; E44-T47 WeakPolarHBondContact O-CB 3.09Å; E44-T47 WeakPolarHBondContact O-CG2 3.48Å; E44-T47 PolarHBondContact O-N 3.24Å; E44-T47 PolarHBondContact O-OG1 2.72Å; V45-T47 VanDerWaalsContact C-N 3.29Å; V45-T47 PolarHBondContact O-N 2.95Å; T47-R114 WeakPolarHBondContact O-CA 3.44Å; T47-V115 PolarHBondContact O-N 3.5Å; T47-V115 WeakPolarHBondContact OG1-CG2 3.49Å; T47-R179 WeakPolarHBondContact CA-O 3.43Å; T47-R179 HydrophobicContact CG2-CB 4.02Å; T47-W185 HydrophobicContact CG2-CH2 4.36Å; T47-W185 HydrophobicContact CG2-CZ3 4.06Å
48I98.1Very high92.8Very high0 Ų037 Ų370%020%0.2CC..EExtended strand (participates in β ladder)trans-100.2137.8177.1-66.1-62.2000110.9L112 A113 R114 V128 Y148 R179 F180 A181I48-L112 HydrophobicContact CG2-CD1 3.49Å; I48-L112 VanDerWaalsContact CG2-CD1 3.49Å; I48-L112 HydrophobicContact CG2-CD2 4.43Å; I48-L112 HydrophobicContact CG2-CG 3.97Å; I48-A113 WeakPolarHBondContact CA-O 3.49Å; I48-A113 WeakPolarHBondContact CD1-O 3.23Å; I48-R114 HydrophobicContact CD1-CB 3.92Å; I48-R114 HydrophobicContact CD1-CG 4.48Å; I48-R114 VanDerWaalsContact CD1-CZ 3.5Å; I48-V128 HydrophobicContact CD1-CG2 4.45Å; I48-Y148 HydrophobicContact CG2-CD1 4.15Å; I48-Y148 HydrophobicContact CG2-CG 4.22Å; I48-R179 PolarHBondContact N-O 3.14Å; I48-F180 HydrophobicContact CB-CD1 4.03Å; I48-F180 HydrophobicContact CG2-CD1 4.31Å; I48-F180 CarbonylContact O-C 3.58Å; I48-F180 WeakPolarHBondContact O-CA 3.41Å; I48-A181 PolarHBondContact O-N 3.21Å
49L98Very high91.3Very high0 Ų039.9 Ų39.90%021%0.214CC..EExtended strand (participates in β ladder)trans-144.9178.1173.256.878.8000110.1F43 A51 A113 V115 L123 I125 I145 A181 F186F43-L49 HydrophobicContact CD1-CD2 4Å; F43-L49 HydrophobicContact CE1-CD2 3.63Å; L49-A51 HydrophobicContact CD1-CB 3.82Å; L49-A113 HydrophobicContact CD1-CB 4.15Å; L49-A113 PolarHBondContact N-O 3.26Å; L49-A113 PolarHBondContact O-N 3.23Å; L49-A113 VanDerWaalsContact O-O 3.08Å; L49-V115 HydrophobicContact CD2-CG2 3.82Å; L49-L123 HydrophobicContact CD2-CD1 4.46Å; L49-I125 HydrophobicContact CD1-CD1 4.37Å; L49-I125 HydrophobicContact CD1-CG2 4.41Å; L49-I125 HydrophobicContact CD2-CD1 4.07Å; L49-I145 HydrophobicContact CD1-CB 4.39Å; L49-I145 HydrophobicContact CD1-CG2 4.24Å; L49-A181 HydrophobicContact CB-CB 4.24Å; L49-F186 HydrophobicContact CB-CE1 4.36Å; L49-F186 HydrophobicContact CB-CZ 3.88Å; L49-F186 HydrophobicContact CD2-CE1 4.34Å; L49-F186 HydrophobicContact CD2-CZ 4.26Å
50E97.5Very high89.4Confident2 Ų244.4 Ų44.41%0.00924%0.241CC..EExtended strand (participates in β ladder)trans-101.9133.5167.9-54.7-173-165.700109.9F110 S111 I145 R146 Y148 S150 L154E50-F110 HydrophobicContact CB-CD1 4.18Å; E50-S111 WeakPolarHBondContact CA-O 3.46Å; E50-I145 CarbonylContact O-C 3.58Å; E50-I145 WeakPolarHBondContact O-CA 3.28Å; E50-R146 HydrophobicContact CB-CG 3.77Å; E50-R146 PolarHBondContact N-O 3.49Å; E50-R146 PolarHBondContact O-N 3.29Å; E50-R146 IonicContact OE2-CZ 3.18Å; E50-R146 IonicContact OE2-NE 2.81Å; E50-R146 PolarHBondContact OE2-NE 3.49Å; E50-R146 IonicContact OE2-NH2 2.71Å; E50-R146 PolarHBondContact OE2-NH2 3.02Å; E50-Y148 HydrophobicContact CG-CD2 3.81Å; E50-Y148 HydrophobicContact CG-CG 4.38Å; E50-S150 VanDerWaalsContact OE1-CB 3.31Å; E50-S150 WeakPolarHBondContact OE1-CB 3.25Å; E50-S150 PolarHBondContact OE1-N 3.27Å; E50-S150 PolarHBondContact OE1-OG 3.29Å; E50-S150 WeakPolarHBondContact OE2-CB 3.14Å; E50-S150 PolarHBondContact OE2-OG 2.92Å; E50-L154 HydrophobicContact CB-CD2 4.11Å; E50-L154 VanDerWaalsContact CD-CD2 3.49Å; E50-L154 HydrophobicContact CG-CD1 4.17Å; E50-L154 HydrophobicContact CG-CD2 3.8Å; E50-L154 HydrophobicContact CG-CG 4.42Å; E50-L154 VanDerWaalsContact OE2-CD2 3.28Å; E50-L154 WeakPolarHBondContact OE2-CD2 3.32Å
51A96.8Very high87.4Confident0 Ų048.2 Ų48.20%026%0.257CS..EExtended strand (participates in β ladder)trans-135.6147.9179.800000112.2L49 D53 F110 S111 A113 I125 L127 F138 Q144 I145L49-A51 HydrophobicContact CD1-CB 3.82Å; A51-D53 PolarHBondContact O-N 3.12Å; A51-F110 WeakPolarHBondContact O-CA 3.48Å; A51-S111 PolarHBondContact N-O 3.35Å; A51-S111 PolarHBondContact O-N 2.9Å; A51-A113 HydrophobicContact CB-CB 3.75Å; A51-I125 HydrophobicContact CB-CG2 3.78Å; A51-L127 HydrophobicContact CB-CD2 4.33Å; A51-F138 HydrophobicContact CB-CE2 4.23Å; A51-Q144 CarbonylContact C-O 3.57Å; A51-Q144 WeakPolarHBondContact CA-O 3.45Å; A51-I145 HydrophobicContact CB-CG2 4.12Å
52E94Very high84.9Confident36 Ų3649.5 Ų49.517%0.16826%0.264CS..EExtended strand (participates in β ladder)trans-70.7121176.3-178.7168.6-121.900112Q54 A57 S109 F110 Q144E52-Q54 PolarHBondContact O-N 3.29Å; E52-Q54 PolarHBondContact O-NE2 3.34Å; E52-Q54 PolarHBondContact OE2-NE2 3Å; E52-A57 HydrophobicContact CG-CB 4.08Å; E52-S109 VanDerWaalsContact OE1-CB 3.23Å; E52-S109 WeakPolarHBondContact OE1-CB 3.46Å; E52-S109 PolarHBondContact OE1-OG 2.66Å; E52-F110 HydrophobicContact CB-CE1 4.42Å; E52-F110 HydrophobicContact CB-CE2 4.45Å; E52-F110 HydrophobicContact CB-CZ 4.31Å; E52-Q144 HydrophobicContact CB-CB 4.09Å; E52-Q144 PolarHBondContact N-O 2.98Å; E52-Q144 PolarHBondContact OE2-NE2 2.83Å
53D93Very high82Confident2 Ų246 Ų461%0.01126%0.258CS..  trans-68.798.816717514.2000110.4A51 R55 S56 A57 S109 L127 F158A51-D53 PolarHBondContact O-N 3.12Å; D53-R55 PolarHBondContact O-N 2.58Å; D53-R55 VanDerWaalsContact O-N 3.09Å; D53-R55 WeakPolarHBondContact OD1-CB 3.39Å; D53-R55 PolarHBondContact OD1-N 2.77Å; D53-S56 PolarHBondContact O-N 2.99Å; D53-S56 PolarHBondContact OD1-N 2.8Å; D53-S56 VanDerWaalsContact OD2-CB 3.26Å; D53-S56 WeakPolarHBondContact OD2-CB 3.47Å; D53-S56 PolarHBondContact OD2-N 2.95Å; D53-S56 PolarHBondContact OD2-OG 2.87Å; D53-A57 PolarHBondContact O-N 3.39Å; D53-S109 PolarHBondContact N-O 3.41Å; D53-L127 HydrophobicContact CB-CD1 3.65Å; D53-F158 WeakPolarHBondContact OD2-CB 3.21Å; D53-F158 PolarHBondContact OD2-N 3.41Å
54Q88.3Confident79.2Confident43 Ų4354.6 Ų54.620%0.20129%0.291CS..Hα-helixtrans-55.8-27.9179.4-58.6-53.6-66.900112.9E52 A58 Y136 F138 Q144E52-Q54 PolarHBondContact O-N 3.29Å; E52-Q54 PolarHBondContact O-NE2 3.34Å; E52-Q54 PolarHBondContact OE2-NE2 3Å; Q54-A58 VanDerWaalsContact O-CB 3.23Å; Q54-A58 WeakPolarHBondContact O-CB 3.38Å; Q54-A58 PolarHBondContact O-N 2.97Å; Q54-Y136 HydrophobicContact CB-CD1 4.11Å; Q54-Y136 HydrophobicContact CB-CD2 4.47Å; Q54-Y136 HydrophobicContact CB-CE1 3.73Å; Q54-Y136 HydrophobicContact CB-CE2 4.11Å; Q54-Y136 HydrophobicContact CB-CG 4.47Å; Q54-Y136 HydrophobicContact CG-CD1 3.71Å; Q54-Y136 HydrophobicContact CG-CD2 4.24Å; Q54-Y136 HydrophobicContact CG-CE1 3.88Å; Q54-Y136 HydrophobicContact CG-CE2 4.38Å; Q54-Y136 HydrophobicContact CG-CG 3.91Å; Q54-F138 HydrophobicContact CG-CE1 4.13Å; Q54-F138 HydrophobicContact CG-CZ 3.95Å; Q54-Q144 VanDerWaalsContact CD-NE2 3.34Å
55R86Confident76.6Confident46 Ų4652.7 Ų52.717%0.17429%0.287CS..Hα-helixtrans-74-41.3178.1-56.6-172.7-71.7-171.1-7.9111D53 L59 N134 Y136 F158D53-R55 PolarHBondContact O-N 2.58Å; D53-R55 VanDerWaalsContact O-N 3.09Å; D53-R55 WeakPolarHBondContact OD1-CB 3.39Å; D53-R55 PolarHBondContact OD1-N 2.77Å; R55-L59 WeakPolarHBondContact O-CG 3.4Å; R55-L59 PolarHBondContact O-N 2.92Å; R55-N134 VanDerWaalsContact CZ-CG 3.47Å; R55-N134 PolarHBondContact NH1-ND2 2.82Å; R55-N134 PolarHBondContact NH1-OD1 3.49Å; R55-Y136 HydrophobicContact CG-CE2 4.48Å; R55-Y136 VanDerWaalsContact CG-OH 3.27Å; R55-Y136 WeakPolarHBondContact CG-OH 3.28Å; R55-F158 HydrophobicContact CB-CB 3.93Å; R55-F158 HydrophobicContact CB-CD1 4.06Å; R55-F158 HydrophobicContact CB-CG 4Å; R55-F158 PolarHBondContact NH2-O 3.13Å
56S82.9Confident73.9Confident38 Ų3852.7 Ų52.727%0.26629%0.285SS..Hα-helixtrans-66.5-42171.3-69.40000111.9D53 L59 V60D53-S56 PolarHBondContact O-N 2.99Å; D53-S56 PolarHBondContact OD1-N 2.8Å; D53-S56 VanDerWaalsContact OD2-CB 3.26Å; D53-S56 WeakPolarHBondContact OD2-CB 3.47Å; D53-S56 PolarHBondContact OD2-N 2.95Å; D53-S56 PolarHBondContact OD2-OG 2.87Å; S56-L59 PolarHBondContact O-N 3.14Å; S56-V60 WeakPolarHBondContact O-CG2 3.39Å; S56-V60 PolarHBondContact O-N 3.1Å
57A75.2Confident71.2Confident11 Ų1151.5 Ų51.59%0.09128%0.278CS..Hα-helixtrans-61.5-46.817700000112.3E52 D53 L59 V60 L61E52-A57 HydrophobicContact CG-CB 4.08Å; D53-A57 PolarHBondContact O-N 3.39Å; A57-L59 VanDerWaalsContact C-N 3.26Å; A57-L59 PolarHBondContact O-N 3.09Å; A57-V60 WeakPolarHBondContact O-CB 3.48Å; A57-V60 PolarHBondContact O-N 3.08Å; A57-L61 PolarHBondContact O-N 3.11Å
58A71.3Confident68.6Low60 Ų6056.3 Ų56.350%0.49630%0.304SS..Hα-helixtrans-60.9-31.6176.800000113.4Q54 N62Q54-A58 VanDerWaalsContact O-CB 3.23Å; Q54-A58 WeakPolarHBondContact O-CB 3.38Å; Q54-A58 PolarHBondContact O-N 2.97Å; A58-N62 WeakPolarHBondContact O-CB 3.44Å; A58-N62 PolarHBondContact O-N 3.24Å
59L65Low66.1Low80 Ų8060.8 Ų60.842%0.41933%0.327SS..Hα-helixtrans-73-28.6174-71.7170.3000113.1R55 S56 A57 F158R55-L59 WeakPolarHBondContact O-CG 3.4Å; R55-L59 PolarHBondContact O-N 2.92Å; S56-L59 PolarHBondContact O-N 3.14Å; A57-L59 VanDerWaalsContact C-N 3.26Å; A57-L59 PolarHBondContact O-N 3.09Å; L59-F158 HydrophobicContact CD1-CD2 3.87Å; L59-F158 HydrophobicContact CD1-CE2 3.64Å
60V55.2Low63.5Low107 Ų10766.7 Ų66.765%0.64835%0.352SS*.Hα-helixtrans-75.6-38.8174.6173.40000111.4S56 A57 N62S56-V60 WeakPolarHBondContact O-CG2 3.39Å; S56-V60 PolarHBondContact O-N 3.1Å; A57-V60 WeakPolarHBondContact O-CB 3.48Å; A57-V60 PolarHBondContact O-N 3.08Å; V60-N62 PolarHBondContact O-N 2.99Å
61L53.7Low61Low148 Ų14868.7 Ų68.778%0.77537%0.369SS*.SBendtrans-71.8-9.2178.6-68.3176000114.2A57 P63A57-L61 PolarHBondContact O-N 3.11Å; L61-P63 WeakPolarHBondContact O-CD 3.36Å
62N44Very low58.3Low72 Ų7277 Ų7739%0.38540%0.401SS..  trans-116.864.6-174.9-154.9-31.6000112.8A58 V60 Y64 S65A58-N62 WeakPolarHBondContact O-CB 3.44Å; A58-N62 PolarHBondContact O-N 3.24Å; V60-N62 PolarHBondContact O-N 2.99Å; N62-Y64 VanDerWaalsContact C-N 3.27Å; N62-Y64 PolarHBondContact O-N 2.92Å; N62-S65 WeakPolarHBondContact O-CB 3.35Å; N62-S65 PolarHBondContact O-N 2.82Å; N62-S65 VanDerWaalsContact O-N 3.13Å; N62-S65 PolarHBondContact O-OG 3.03Å
63P37.8Very low55.8Low63 Ų6384.2 Ų84.241%0.40943%0.428SS..Hα-helixtrans-60.4-33.5-170.224.2-34.9000113.6L61 S65 N66 D67L61-P63 WeakPolarHBondContact O-CD 3.36Å; P63-S65 PolarHBondContact O-N 2.86Å; P63-S65 VanDerWaalsContact O-N 3.08Å; P63-N66 PolarHBondContact O-N 2.87Å; P63-D67 PolarHBondContact O-N 3.04Å; P63-D67 VanDerWaalsContact O-N 3.11Å
64Y38.4Very low53.7Low190 Ų19086.8 Ų86.875%0.74545%0.449SS*.Hα-helixtrans-55.8-26.8178-60.9-72.4000113.8N62N62-Y64 VanDerWaalsContact C-N 3.27Å; N62-Y64 PolarHBondContact O-N 2.92Å
65S41.5Very low51.7Low42 Ų4291 Ų9129%0.29447%0.473SS..Hα-helixtrans-71.1-40.2174.867.70000113.2N62 P63 I69N62-S65 WeakPolarHBondContact O-CB 3.35Å; N62-S65 PolarHBondContact O-N 2.82Å; N62-S65 VanDerWaalsContact O-N 3.13Å; N62-S65 PolarHBondContact O-OG 3.03Å; P63-S65 PolarHBondContact O-N 2.86Å; P63-S65 VanDerWaalsContact O-N 3.08Å; S65-I69 WeakPolarHBondContact O-CG1 3.4Å
66N40.7Very low49.7Very low66 Ų6695.7 Ų95.735%0.35350%0.502SS..Hα-helixtrans-81.6-35.6-174.4-89.5-71.5000112.5P63 I69 K70P63-N66 PolarHBondContact O-N 2.87Å; N66-I69 PolarHBondContact O-N 2.9Å; N66-K70 PolarHBondContact O-N 2.88Å; N66-K70 VanDerWaalsContact O-N 3.1Å
67D41Very low47.7Very low74 Ų7498.2 Ų98.240%0.39652%0.519SS..Hα-helixtrans-83.7-22.7-174.4-63.3-26.5000112.4P63 I69 K70 A71 R104P63-D67 PolarHBondContact O-N 3.04Å; P63-D67 VanDerWaalsContact O-N 3.11Å; D67-I69 VanDerWaalsContact C-N 3.29Å; D67-I69 PolarHBondContact O-N 2.96Å; D67-K70 PolarHBondContact O-N 2.87Å; D67-A71 WeakPolarHBondContact O-CB 3.46Å; D67-A71 PolarHBondContact O-N 2.87Å; D67-R104 IonicContact OD1-CZ 3.6Å; D67-R104 IonicContact OD1-NH1 2.84Å; D67-R104 PolarHBondContact OD1-NH1 2.79Å; D67-R104 IonicContact OD1-NH2 3.34Å; D67-R104 PolarHBondContact OD1-NH2 3.36Å; D67-R104 IonicContact OD2-NH1 3.94Å
68L42Very low46Very low103 Ų103103.7 Ų103.754%0.53955%0.551SS.*Hα-helixtrans-62.9-34.2163.8-113.187.4000112.7R72L68-R72 WeakPolarHBondContact O-CG 3.19Å; L68-R72 PolarHBondContact O-N 2.82Å
69I45.3Very low44.2Very low94 Ų94106 Ų10648%0.48256%0.564SS.*Hα-helixtrans-72.2-46.6176.9-64.4172.7000109.3S65 N66 D67 A71 R72 Y73S65-I69 WeakPolarHBondContact O-CG1 3.4Å; N66-I69 PolarHBondContact O-N 2.9Å; D67-I69 VanDerWaalsContact C-N 3.29Å; D67-I69 PolarHBondContact O-N 2.96Å; I69-A71 PolarHBondContact O-N 2.97Å; I69-R72 PolarHBondContact O-N 3.09Å; I69-Y73 HydrophobicContact CG2-CD2 4.03Å; I69-Y73 HydrophobicContact CG2-CE2 3.81Å; I69-Y73 VanDerWaalsContact O-CD2 3.25Å; I69-Y73 WeakPolarHBondContact O-CD2 3.41Å; I69-Y73 PolarHBondContact O-N 3.48Å
70K44.8Very low42.8Very low123 Ų123108 Ų10854%0.53559%0.585SS.*Hα-helixtrans-59.4-43.1174.8-85.9-166.9167.7-167.90113.4N66 D67 R72 Y73 A74N66-K70 PolarHBondContact O-N 2.88Å; N66-K70 VanDerWaalsContact O-N 3.1Å; D67-K70 PolarHBondContact O-N 2.87Å; K70-R72 VanDerWaalsContact C-N 3.3Å; K70-R72 PolarHBondContact O-N 3.41Å; K70-Y73 PolarHBondContact O-N 3.02Å; K70-Y73 VanDerWaalsContact O-N 3.16Å; K70-A74 WeakPolarHBondContact O-CB 3.42Å; K70-A74 PolarHBondContact O-N 2.66Å
71A43.6Very low41.9Very low45 Ų45110.2 Ų110.237%0.37259%0.593SS.*Hα-helixtrans-58.8-40.5179.200000112.3D67 I69 Y73 A74 N75D67-A71 WeakPolarHBondContact O-CB 3.46Å; D67-A71 PolarHBondContact O-N 2.87Å; I69-A71 PolarHBondContact O-N 2.97Å; A71-Y73 VanDerWaalsContact C-N 3.33Å; A71-Y73 PolarHBondContact O-N 2.99Å; A71-A74 PolarHBondContact O-N 3.23Å; A71-N75 WeakPolarHBondContact O-CB 3.22Å; A71-N75 PolarHBondContact O-N 3.48Å; A71-N75 PolarHBondContact O-OD1 3.48Å
72R39.7Very low41.2Very low173 Ų173112.6 Ų112.665%0.65360%0.6SS**Hα-helixtrans-66.9-30.3177.6-70178-168.7173.35113.8L68 I69 K70L68-R72 WeakPolarHBondContact O-CG 3.19Å; L68-R72 PolarHBondContact O-N 2.82Å; I69-R72 PolarHBondContact O-N 3.09Å; K70-R72 VanDerWaalsContact C-N 3.3Å; K70-R72 PolarHBondContact O-N 3.41Å
73Y41.8Very low41Very low189 Ų189117.9 Ų117.974%0.74162%0.623SS**Hα-helixtrans-84.9-30.5175.8-71.4-66.4000113.1I69 K70 A71I69-Y73 HydrophobicContact CG2-CD2 4.03Å; I69-Y73 HydrophobicContact CG2-CE2 3.81Å; I69-Y73 VanDerWaalsContact O-CD2 3.25Å; I69-Y73 WeakPolarHBondContact O-CD2 3.41Å; I69-Y73 PolarHBondContact O-N 3.48Å; K70-Y73 PolarHBondContact O-N 3.02Å; K70-Y73 VanDerWaalsContact O-N 3.16Å; A71-Y73 VanDerWaalsContact C-N 3.33Å; A71-Y73 PolarHBondContact O-N 2.99Å
74A49.9Very low40.8Very low55 Ų55123.6 Ų123.646%0.45565%0.649SS.*Hα-helixtrans-70.6-41.2175.500000112.7K70 A71 N76 S77K70-A74 WeakPolarHBondContact O-CB 3.42Å; K70-A74 PolarHBondContact O-N 2.66Å; A71-A74 PolarHBondContact O-N 3.23Å; A74-N76 PolarHBondContact O-N 2.79Å; A74-S77 PolarHBondContact O-N 3.48Å; A74-S77 PolarHBondContact O-OG 2.84Å
75N45Very low40.7Very low132 Ų132122 Ų12271%0.70665%0.652SS**THydrogen-bonded Turntrans-71.6-2.9-170.5-69.16000115.1A71 S77A71-N75 WeakPolarHBondContact O-CB 3.22Å; A71-N75 PolarHBondContact O-N 3.48Å; A71-N75 PolarHBondContact O-OD1 3.48Å; N75-S77 VanDerWaalsContact C-N 3.28Å; N75-S77 PolarHBondContact O-N 3.34Å
76N44.7Very low40Very low145 Ų145127.5 Ų127.578%0.77567%0.673SS**THydrogen-bonded Turntrans-87.614172.6-76-11000113.4A74A74-N76 PolarHBondContact O-N 2.79Å
77S40.8Very low39.7Very low90 Ų90130.8 Ų130.863%0.62970%0.696SS**SBendtrans-119.281.9-18056.20000113.9A74 N75A74-S77 PolarHBondContact O-N 3.48Å; A74-S77 PolarHBondContact O-OG 2.84Å; N75-S77 VanDerWaalsContact C-N 3.28Å; N75-S77 PolarHBondContact O-N 3.34Å
78T39.2Very low39.4Very low126 Ų126133.3 Ų133.377%0.77372%0.716SS**  trans4480.9144.7-41.60000119
79S33.3Very low38.8Very low110 Ų110134.6 Ų134.677%0.76973%0.733SS**  trans34.1112.4135.162.50000120.7
80S35.7Very low37.9Very low121 Ų121141.8 Ų141.885%0.84675%0.753SS**  trans-159.6157.2133.741.30000110.7
81N36.2Very low37.3Very low154 Ų154147.1 Ų147.182%0.82477%0.77SS**  trans-92.8147.1-168.1-55.5-68.7000112.8
82Q40.7Very low36.7Very low198 Ų198149 Ų14993%0.92578%0.781SS**  -177.8172.7108.2-95.8174.638.500112.3
83Q38.6Very low36.3Very low183 Ų183146.3 Ų146.386%0.85579%0.788SS**  trans-101.8148-165.2-58.7161.6-33.300112.7
84L34.7Very low36Very low183 Ų183145.3 Ų145.396%0.95880%0.795SS**  -158.6173126.1-135.773.6000111.6
85L34.8Very low35Very low155 Ų155150.3 Ų150.381%0.81281%0.814SS**  trans-110.7164.8-159.7-162.163.2000113.9
86E28.4Very low34.6Very low159 Ų159149.8 Ų149.874%0.74382%0.818SS**  trans-50.6149-172.9-54167.3147.700117.5
87T33.8Very low34.2Very low135 Ų135151.1 Ų151.183%0.82882%0.819SS**  -177.7128.4122.5200000111.9
88P33.4Very low33.8Very low127 Ų127152.5 Ų152.583%0.82583%0.829SS**  trans-92.4135.5171.134.1-30.7000111.8
89C30.3Very low33.7Very low130 Ų130152.2 Ų152.288%0.87883%0.832SS**  trans-134.5151.3178.2-930000113.4
90R26.8Very low33.6Very low244 Ų244151.1 Ų151.192%0.92184%0.838SS**  trans-64.2141.3-180-61173.5172.9-174.5-3.5112.3
91R31.2Very low33.7Very low235 Ų235151.5 Ų151.589%0.88784%0.836SS**  trans-177120.8137.5-101.6-174.4-179.5176.10108.9
92S32.2Very low33.7Very low85 Ų85150.3 Ų150.359%0.59483%0.834SS**  70.1104.783.281.30000114.9L94S92-L94 PolarHBondContact O-N 3.35Å
93S30Very low33.2Very low116 Ų116152.2 Ų152.281%0.81183%0.832SS**  trans11.6100.2150.857.50000118.6
94L35.8Very low33.2Very low168 Ų168149.6 Ų149.688%0.8882%0.815SS**  trans-144146.7156.6-77.4-179.7000110.2S92S92-L94 PolarHBondContact O-N 3.35Å
95N29Very low33.2Very low160 Ų160150.2 Ų150.286%0.85681%0.81SS**  trans-72.4134-172.7-75.6-24.1000113.6
96P36.9Very low33.8Very low121 Ų121154.5 Ų154.579%0.78682%0.815SS**  trans-92.695.6167.434.2-30.1000111.4
97H35.3Very low34.7Very low173 Ų173149.4 Ų149.480%0.80180%0.801SS**  trans-111.8139.8156.4-87.816.8000109.7
98S32.7Very low35.8Very low119 Ų119144.3 Ų144.383%0.83277%0.772SS**SBendtrans44.779.6175.656.40000117.4
99S37.6Very low38.2Very low120 Ų120139.7 Ų139.784%0.83974%0.743SS**  trans-151.5139.6143.5-87.50000111.4T101S99-T101 PolarHBondContact O-N 2.59Å; S99-T101 VanDerWaalsContact O-N 3.12Å
100G30.5Very low41.2Very low88 Ų88134.8 Ų134.891%0.90771%0.707SS**  trans-86.675.7-161.200000115.5
101T38.6Very low44.4Very low128 Ų128123.2 Ų123.279%0.78566%0.663SS**  trans-83.4140.6166.9-57.20000110.7S99 R103S99-T101 PolarHBondContact O-N 2.59Å; S99-T101 VanDerWaalsContact O-N 3.12Å; T101-R103 PolarHBondContact O-N 3.41Å
102V35.6Very low47.5Very low129 Ų129112 Ų11278%0.78262%0.621SS**  trans-53.6108.9-174.3179.60000111.6R104V102-R104 PolarHBondContact O-N 3.02Å
103R31.4Very low50.7Low239 Ų239108 Ų10890%0.90259%0.593SS**  trans-68.775.7165.7-73.1-175.7175.6177-2109.7T101 F105T101-R103 PolarHBondContact O-N 3.41Å; R103-F105 PolarHBondContact O-N 2.77Å; R103-F105 VanDerWaalsContact O-N 3.11Å
104R37.6Very low53.9Low127 Ų127105.3 Ų105.348%0.47957%0.565SS.*  trans-47.8115.7156.4-169.2-180-167162.20.5104.7D67 V102 R106D67-R104 IonicContact OD1-CZ 3.6Å; D67-R104 IonicContact OD1-NH1 2.84Å; D67-R104 PolarHBondContact OD1-NH1 2.79Å; D67-R104 IonicContact OD1-NH2 3.34Å; D67-R104 PolarHBondContact OD1-NH2 3.36Å; D67-R104 IonicContact OD2-NH1 3.94Å; V102-R104 PolarHBondContact O-N 3.02Å; R104-R106 PolarHBondContact O-N 2.57Å
105F35.2Very low56.9Low197 Ų19797.3 Ų97.386%0.86452%0.523SS*.  trans-51114.7-168.1-69.8-89.2000109.8R103 A107R103-F105 PolarHBondContact O-N 2.77Å; R103-F105 VanDerWaalsContact O-N 3.11Å; F105-A107 PolarHBondContact O-N 3.43Å
106R47.4Very low60.1Low244 Ų24492 Ų9292%0.92149%0.494SS*.  trans-70.475.6153.2-73.1-173.3178.4-177-1.7105.3R104 A108R104-R106 PolarHBondContact O-N 2.57Å; R106-A108 PolarHBondContact O-N 2.82Å
107A48.3Very low62.9Low53 Ų5388.3 Ų88.344%0.43847%0.466SS..  trans-55.1132.7168.800000106.2F105 S109 Q155F105-A107 PolarHBondContact O-N 3.43Å; A107-S109 PolarHBondContact O-N 2.98Å; A107-S109 VanDerWaalsContact O-N 3.14Å; A107-Q155 HydrophobicContact CB-CG 3.98Å
108A57.1Low65.8Low27 Ų2782.5 Ų82.522%0.22344%0.443CS..  trans-56.9125.7-177.300000108.2R106 F110 Q155R106-A108 PolarHBondContact O-N 2.82Å; A108-F110 PolarHBondContact O-N 3.04Å; A108-F110 VanDerWaalsContact O-N 3.09Å; A108-Q155 WeakPolarHBondContact O-CG 3.36Å
109S82.6Confident68.7Low31 Ų3177.5 Ų77.522%0.21741%0.408CS..SBendtrans-67.2-7.4177.4480000112.2E52 D53 A107E52-S109 VanDerWaalsContact OE1-CB 3.23Å; E52-S109 WeakPolarHBondContact OE1-CB 3.46Å; E52-S109 PolarHBondContact OE1-OG 2.66Å; D53-S109 PolarHBondContact N-O 3.41Å; A107-S109 PolarHBondContact O-N 2.98Å; A107-S109 VanDerWaalsContact O-N 3.14Å
110F93.3Very high71.4Confident26 Ų2673 Ų7311%0.11438%0.381CS..EExtended strand (participates in β ladder)trans-78.7130.6176.9-69.8-100.3000113.3E50 A51 E52 A108 R146 L154 Q155E50-F110 HydrophobicContact CB-CD1 4.18Å; A51-F110 WeakPolarHBondContact O-CA 3.48Å; E52-F110 HydrophobicContact CB-CE1 4.42Å; E52-F110 HydrophobicContact CB-CE2 4.45Å; E52-F110 HydrophobicContact CB-CZ 4.31Å; A108-F110 PolarHBondContact O-N 3.04Å; A108-F110 VanDerWaalsContact O-N 3.09Å; F110-R146 HydrophobicContact CD1-CG 4.08Å; F110-R146 HydrophobicContact CE1-CG 3.95Å; F110-L154 HydrophobicContact CB-CD2 4.07Å; F110-L154 WeakPolarHBondContact O-CD2 3.23Å; F110-Q155 PolarHBondContact O-N 3.4Å; F110-Q155 VanDerWaalsContact O-N 3.1Å
111S95Very high74.6Confident1 Ų169 Ų691%0.00734%0.338CS..EExtended strand (participates in β ladder)trans-112.2161.3167.8169.30000109.7E50 A51 P157E50-S111 WeakPolarHBondContact CA-O 3.46Å; A51-S111 PolarHBondContact N-O 3.35Å; A51-S111 PolarHBondContact O-N 2.9Å; S111-P157 WeakPolarHBondContact OG-CD 3.08Å
112L96.7Very high77.4Confident0 Ų063.2 Ų63.20%030%0.302CS..EExtended strand (participates in β ladder)trans-62.5138.6161.8-162.969.9000108.8I48 V128 Y148 L154 W167 L171 A174 T175I48-L112 HydrophobicContact CG2-CD1 3.49Å; I48-L112 VanDerWaalsContact CG2-CD1 3.49Å; I48-L112 HydrophobicContact CG2-CD2 4.43Å; I48-L112 HydrophobicContact CG2-CG 3.97Å; L112-V128 HydrophobicContact CB-CB 4.19Å; L112-V128 HydrophobicContact CB-CG2 4.07Å; L112-V128 HydrophobicContact CD2-CB 4.36Å; L112-V128 HydrophobicContact CD2-CG1 4.43Å; L112-V128 HydrophobicContact CD2-CG2 3.95Å; L112-V128 HydrophobicContact CG-CB 4.47Å; L112-V128 HydrophobicContact CG-CG2 3.9Å; L112-V128 PolarHBondContact O-N 2.97Å; L112-Y148 HydrophobicContact CD1-CD1 4.24Å; L112-Y148 HydrophobicContact CD1-CD2 3.44Å; L112-Y148 VanDerWaalsContact CD1-CD2 3.44Å; L112-Y148 HydrophobicContact CD1-CE1 4.46Å; L112-Y148 HydrophobicContact CD1-CE2 3.7Å; L112-Y148 HydrophobicContact CD1-CG 3.75Å; L112-L154 HydrophobicContact CB-CD1 3.97Å; L112-L154 HydrophobicContact CD1-CD1 3.9Å; L112-W167 HydrophobicContact CB-CH2 4.22Å; L112-L171 HydrophobicContact CB-CD2 3.64Å; L112-L171 HydrophobicContact CD2-CD2 3.75Å; L112-L171 HydrophobicContact CG-CD2 4.2Å; L112-A174 HydrophobicContact CD2-CB 3.82Å; L112-T175 HydrophobicContact CD1-CG2 4.34Å; L112-T175 HydrophobicContact CD2-CG2 3.83Å
113A97.6Very high80.3Confident0 Ų057.1 Ų57.10%027%0.265CS..EExtended strand (participates in β ladder)trans-145163.1-177.200000112.4I48 L49 A51 I125 R126 L127I48-A113 WeakPolarHBondContact CA-O 3.49Å; I48-A113 WeakPolarHBondContact CD1-O 3.23Å; L49-A113 HydrophobicContact CD1-CB 4.15Å; L49-A113 PolarHBondContact N-O 3.26Å; L49-A113 PolarHBondContact O-N 3.23Å; L49-A113 VanDerWaalsContact O-O 3.08Å; A51-A113 HydrophobicContact CB-CB 3.75Å; A113-I125 HydrophobicContact CB-CG2 3.43Å; A113-I125 VanDerWaalsContact CB-CG2 3.43Å; A113-R126 CarbonylContact C-O 3.58Å; A113-R126 VanDerWaalsContact CA-O 3.27Å; A113-R126 WeakPolarHBondContact CA-O 3.26Å; A113-R126 WeakPolarHBondContact CB-O 3.35Å; A113-L127 HydrophobicContact CB-CD2 3.82Å
114R97.8Very high83.5Confident61 Ų6148.6 Ų48.623%0.2323%0.233CC..EExtended strand (participates in β ladder)trans-126.4137.8-179.3173.5158.7-99126.54.5110.8N46 T47 I48 I116 I125 R126 T178N46-R114 VanDerWaalsContact O-CZ 3.26Å; N46-R114 PolarHBondContact O-NE 2.85Å; N46-R114 PolarHBondContact O-NH2 2.9Å; T47-R114 WeakPolarHBondContact O-CA 3.44Å; I48-R114 HydrophobicContact CD1-CB 3.92Å; I48-R114 HydrophobicContact CD1-CG 4.48Å; I48-R114 VanDerWaalsContact CD1-CZ 3.5Å; R114-I116 HydrophobicContact CG-CD1 4.16Å; R114-I116 PolarHBondContact O-N 3.3Å; R114-I125 WeakPolarHBondContact O-CA 3.26Å; R114-R126 PolarHBondContact N-O 2.81Å; R114-R126 PolarHBondContact O-N 2.86Å; R114-T178 VanDerWaalsContact NH2-CG2 3.29Å
115V98.2Very high86.3Confident0 Ų042.6 Ų42.60%021%0.21CC..EExtended strand (participates in β ladder)trans-70120.4167.9-174.70000108.9F43 N46 T47 L49 T118 I125F43-V115 HydrophobicContact CD1-CG2 4.22Å; N46-V115 WeakPolarHBondContact CA-O 3.16Å; N46-V115 PolarHBondContact N-O 3.14Å; T47-V115 PolarHBondContact O-N 3.5Å; T47-V115 WeakPolarHBondContact OG1-CG2 3.49Å; L49-V115 HydrophobicContact CD2-CG2 3.82Å; V115-T118 HydrophobicContact CG1-CG2 3.68Å; V115-I125 HydrophobicContact CB-CD1 4.29Å; V115-I125 HydrophobicContact CG2-CD1 3.81Å
116I97.5Very high89.3Confident47 Ų4736.4 Ų36.424%0.24118%0.181CC..EExtended strand (participates in β ladder)trans-99.9-36.6179.1-59.7-59.2000111.5V45 R114 R124 R126V45-I116 VanDerWaalsContact CG1-O 3.3Å; V45-I116 WeakPolarHBondContact CG1-O 3.27Å; R114-I116 HydrophobicContact CG-CD1 4.16Å; R114-I116 PolarHBondContact O-N 3.3Å; I116-R124 HydrophobicContact CB-CG 4.34Å; I116-R124 PolarHBondContact N-O 2.99Å; I116-R126 HydrophobicContact CD1-CB 3.87Å; I116-R126 HydrophobicContact CG1-CB 3.56Å
117E96.1Very high91.6Very high44 Ų4425 Ų2521%0.20614%0.139CC..EExtended strand (participates in β ladder)trans-152.3149.2-172.7-156.2-176.1145.300108.8R124 W137 Q213E117-R124 HydrophobicContact CB-CB 3.55Å; E117-R124 HydrophobicContact CB-CG 4.28Å; E117-R124 PolarHBondContact O-N 3.23Å; E117-R124 WeakPolarHBondContact OE2-CD 3.48Å; E117-R124 IonicContact OE2-CZ 3.29Å; E117-R124 IonicContact OE2-NE 2.77Å; E117-R124 IonicContact OE2-NH1 4Å; E117-R124 PolarHBondContact OE2-NH1 3.44Å; E117-W137 HydrophobicContact CB-CH2 4.13Å; E117-W137 HydrophobicContact CG-CH2 4.05Å; E117-Q213 PolarHBondContact OE1-NE2 3.11Å; E117-Q213 VanDerWaalsContact OE1-NE2 3.13Å
118T95.5Very high93.9Very high52 Ų5223.4 Ų23.432%0.31912%0.123SC..EExtended strand (participates in β ladder)trans-133.5124.5178.252.90000108.6F43 V45 V115 L123F43-T118 HydrophobicContact CB-CG2 4.45Å; V45-T118 HydrophobicContact CG2-CG2 4.05Å; V115-T118 HydrophobicContact CG1-CG2 3.68Å; T118-L123 HydrophobicContact CG2-CD2 3.82Å
119C94Very high95.6Very high13 Ų1323.1 Ų23.19%0.08812%0.123CC..EExtended strand (participates in β ladder)trans-143.1115.7-178.1-169.40000109R122 W137 Y261C119-R122 PolarHBondContact N-O 3.09Å; C119-R122 PolarHBondContact O-N 3.05Å; C119-W137 HydrophobicContact CB-CH2 3.98Å; C119-W137 HydrophobicContact CB-CZ3 3.95Å; C119-Y261 HydrophobicContact CB-CD2 4.28Å; C119-Y261 HydrophobicContact CB-CE2 3.81Å; C119-Y261 VanDerWaalsContact O-CD2 3.29Å; C119-Y261 WeakPolarHBondContact O-CD2 3.07Å; C119-Y261 WeakPolarHBondContact O-CE2 3.47Å
120G94.8Very high96.2Very high26 Ų2622.3 Ų22.327%0.26812%0.117SC..THydrogen-bonded Turntrans48.4-136.6-167.200000111.7N41 R122 A259N41-G120 VanDerWaalsContact CB-O 3.28Å; N41-G120 WeakPolarHBondContact CB-O 3.28Å; N41-G120 PolarHBondContact ND2-O 3.09Å; G120-R122 PolarHBondContact O-N 2.8Å; G120-A259 WeakPolarHBondContact CA-O 3.35Å
121P96.3Very high96.1Very high3 Ų323.6 Ų23.62%0.01913%0.125CC..THydrogen-bonded Turntrans-77.17.7175.134.1-39.3000114.6P39 L139 V140 W255 A259P39-P121 HydrophobicContact CG-CB 3.97Å; P39-P121 WeakPolarHBondContact O-CB 3.39Å; P121-L139 HydrophobicContact CB-CD2 4.29Å; P121-L139 HydrophobicContact CG-CD2 4.19Å; P121-L139 WeakPolarHBondContact O-CA 3.48Å; P121-V140 HydrophobicContact CB-CG2 4.24Å; P121-V140 PolarHBondContact O-N 3.42Å; P121-W255 HydrophobicContact CB-CH2 4.42Å; P121-W255 HydrophobicContact CG-CH2 3.31Å; P121-W255 HydrophobicContact CG-CZ2 3.86Å; P121-W255 HydrophobicContact CG-CZ3 4.06Å; P121-A259 WeakPolarHBondContact CD-O 3.32Å; P121-A259 HydrophobicContact CG-CB 3.98Å
122R97.3Very high95.9Very high8 Ų827.9 Ų27.93%0.0315%0.148CC..EExtended strand (participates in β ladder)trans-105.4140.6-177.8-59.5-178.979.3-149.97.3112.2C119 G120 W137 F138 L139 T212 Y261C119-R122 PolarHBondContact N-O 3.09Å; C119-R122 PolarHBondContact O-N 3.05Å; G120-R122 PolarHBondContact O-N 2.8Å; R122-W137 HydrophobicContact CB-CE3 3.79Å; R122-W137 HydrophobicContact CB-CZ3 4.17Å; R122-W137 VanDerWaalsContact NH2-CB 3.28Å; R122-F138 CarbonylContact C-O 3.53Å; R122-F138 VanDerWaalsContact CA-O 3.29Å; R122-F138 WeakPolarHBondContact CA-O 3.38Å; R122-L139 HydrophobicContact CG-CD2 3.63Å; R122-L139 HydrophobicContact CG-CG 4.49Å; R122-T212 PolarHBondContact NH1-O 3.13Å; R122-T212 PolarHBondContact NH2-O 2.72Å; R122-Y261 HydrophobicContact CB-CE2 4.02Å; R122-Y261 HydrophobicContact CG-CD2 4.44Å; R122-Y261 HydrophobicContact CG-CE2 4.06Å; R122-Y261 PolarHBondContact NH1-OH 2.94Å
123L97.6Very high95.4Very high0 Ų037.4 Ų37.40%018%0.184CC..EExtended strand (participates in β ladder)trans-114.2126.6177.6-50-179.4000109.7N41 F43 L49 T118 I125 W137 F138 V140 I145N41-L123 WeakPolarHBondContact ND2-CD2 3.49Å; F43-L123 HydrophobicContact CB-CD1 4.34Å; F43-L123 HydrophobicContact CB-CD2 3.67Å; F43-L123 HydrophobicContact CD1-CD1 3.79Å; F43-L123 HydrophobicContact CD2-CD1 3.69Å; F43-L123 HydrophobicContact CD2-CD2 3.9Å; F43-L123 HydrophobicContact CD2-CG 4.36Å; F43-L123 HydrophobicContact CE1-CD1 3.93Å; F43-L123 HydrophobicContact CE2-CD1 3.82Å; F43-L123 HydrophobicContact CG-CD1 3.67Å; F43-L123 HydrophobicContact CG-CD2 3.84Å; F43-L123 HydrophobicContact CG-CG 4.42Å; F43-L123 HydrophobicContact CZ-CD1 3.95Å; L49-L123 HydrophobicContact CD2-CD1 4.46Å; T118-L123 HydrophobicContact CG2-CD2 3.82Å; L123-I125 HydrophobicContact CB-CD1 3.75Å; L123-I125 HydrophobicContact CB-CG1 4.12Å; L123-I125 HydrophobicContact CD1-CD1 4.34Å; L123-W137 CarbonylContact O-C 3.53Å; L123-W137 VanDerWaalsContact O-CA 3.3Å; L123-W137 WeakPolarHBondContact O-CA 3.16Å; L123-F138 PolarHBondContact N-O 3.16Å; L123-F138 PolarHBondContact O-N 3.36Å; L123-V140 HydrophobicContact CD1-CG1 4.18Å; L123-V140 HydrophobicContact CD2-CG1 3.9Å; L123-V140 HydrophobicContact CG-CG1 3.95Å; L123-I145 HydrophobicContact CD1-CD1 3.77Å
124R97.5Very high95Very high60 Ų6039.2 Ų39.223%0.22619%0.193CC..EExtended strand (participates in β ladder)trans-85.4117.2166.8-172.9-177.8173.7154.94.8108.9I116 E117 D135 W137I116-R124 HydrophobicContact CB-CG 4.34Å; I116-R124 PolarHBondContact N-O 2.99Å; E117-R124 HydrophobicContact CB-CB 3.55Å; E117-R124 HydrophobicContact CB-CG 4.28Å; E117-R124 PolarHBondContact O-N 3.23Å; E117-R124 WeakPolarHBondContact OE2-CD 3.48Å; E117-R124 IonicContact OE2-CZ 3.29Å; E117-R124 IonicContact OE2-NE 2.77Å; E117-R124 IonicContact OE2-NH1 4Å; E117-R124 PolarHBondContact OE2-NH1 3.44Å; R124-D135 HydrophobicContact CG-CB 4.03Å; R124-D135 IonicContact CZ-OD2 2.69Å; R124-D135 VanDerWaalsContact CZ-OD2 3.27Å; R124-D135 IonicContact NE-OD2 2.66Å; R124-D135 PolarHBondContact NE-OD2 3.05Å; R124-D135 IonicContact NH2-OD2 2.69Å; R124-D135 PolarHBondContact NH2-OD2 3.42Å; R124-W137 HydrophobicContact CB-CD2 3.87Å; R124-W137 HydrophobicContact CB-CE3 3.92Å; R124-W137 HydrophobicContact CB-CH2 3.91Å; R124-W137 HydrophobicContact CB-CZ2 3.81Å; R124-W137 HydrophobicContact CB-CZ3 3.95Å; R124-W137 HydrophobicContact CG-CD2 4.35Å; R124-W137 HydrophobicContact CG-CZ2 4.17Å
125I97.2Very high94.8Very high1 Ų137.1 Ų37.11%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-114.2132.7-173.5-58.8-53.1000110.3L49 A51 A113 R114 V115 L123 D135 Y136 F138L49-I125 HydrophobicContact CD1-CD1 4.37Å; L49-I125 HydrophobicContact CD1-CG2 4.41Å; L49-I125 HydrophobicContact CD2-CD1 4.07Å; A51-I125 HydrophobicContact CB-CG2 3.78Å; A113-I125 HydrophobicContact CB-CG2 3.43Å; A113-I125 VanDerWaalsContact CB-CG2 3.43Å; R114-I125 WeakPolarHBondContact O-CA 3.26Å; V115-I125 HydrophobicContact CB-CD1 4.29Å; V115-I125 HydrophobicContact CG2-CD1 3.81Å; L123-I125 HydrophobicContact CB-CD1 3.75Å; L123-I125 HydrophobicContact CB-CG1 4.12Å; L123-I125 HydrophobicContact CD1-CD1 4.34Å; I125-D135 WeakPolarHBondContact O-CA 3.18Å; I125-Y136 PolarHBondContact N-O 3.44Å; I125-Y136 PolarHBondContact O-N 2.89Å; I125-F138 HydrophobicContact CB-CD2 4.03Å; I125-F138 HydrophobicContact CB-CE2 4.17Å; I125-F138 HydrophobicContact CG1-CD2 3.76Å; I125-F138 HydrophobicContact CG1-CE2 4.38Å; I125-F138 HydrophobicContact CG2-CE2 4.5Å
126R96.7Very high94.6Very high67 Ų6740 Ų4025%0.25320%0.198SC..EExtended strand (participates in β ladder)trans-112.9135.2170.2-172.5171.1-58.6162.27.3110.7A113 R114 I116 D132 D135A113-R126 CarbonylContact C-O 3.58Å; A113-R126 VanDerWaalsContact CA-O 3.27Å; A113-R126 WeakPolarHBondContact CA-O 3.26Å; A113-R126 WeakPolarHBondContact CB-O 3.35Å; R114-R126 PolarHBondContact N-O 2.81Å; R114-R126 PolarHBondContact O-N 2.86Å; I116-R126 HydrophobicContact CD1-CB 3.87Å; I116-R126 HydrophobicContact CG1-CB 3.56Å; R126-D132 VanDerWaalsContact NH2-CB 3.3Å; R126-D135 WeakPolarHBondContact CB-OD1 3.44Å; R126-D135 WeakPolarHBondContact CG-OD1 3.45Å; R126-D135 IonicContact CZ-OD1 3.33Å; R126-D135 IonicContact CZ-OD2 2.66Å; R126-D135 IonicContact NE-OD1 2.69Å; R126-D135 PolarHBondContact NE-OD1 3.23Å; R126-D135 IonicContact NE-OD2 3.55Å; R126-D135 IonicContact NH2-OD1 2.73Å; R126-D135 PolarHBondContact NH2-OD1 3.05Å; R126-D135 IonicContact NH2-OD2 3.43Å; R126-D135 PolarHBondContact NH2-OD2 2.91Å
127L96.7Very high94.5Very high5 Ų539 Ų393%0.02619%0.191CC..EExtended strand (participates in β ladder)trans-77.7139.6177.5-52.5-177.9000110.2A51 D53 A113 G129 T130 P157A51-L127 HydrophobicContact CB-CD2 4.33Å; D53-L127 HydrophobicContact CB-CD1 3.65Å; A113-L127 HydrophobicContact CB-CD2 3.82Å; L127-G129 PolarHBondContact O-N 3.02Å; L127-G129 VanDerWaalsContact O-N 3.14Å; L127-T130 HydrophobicContact CB-CG2 4Å; L127-T130 PolarHBondContact O-N 2.82Å; L127-T130 PolarHBondContact O-OG1 3.01Å; L127-T130 VanDerWaalsContact O-OG1 3.11Å; L127-P157 HydrophobicContact CB-CB 3.79Å; L127-P157 HydrophobicContact CB-CG 4.02Å; L127-P157 HydrophobicContact CD1-CB 3.62Å; L127-P157 HydrophobicContact CG-CB 4.35Å
128V96Very high94.5Very high19 Ų1937.4 Ų37.412%0.11518%0.184CC..THydrogen-bonded Turntrans-68.5117-173.5172.50000110.4I48 L112 W167 T170 A174I48-V128 HydrophobicContact CD1-CG2 4.45Å; L112-V128 HydrophobicContact CB-CB 4.19Å; L112-V128 HydrophobicContact CB-CG2 4.07Å; L112-V128 HydrophobicContact CD2-CB 4.36Å; L112-V128 HydrophobicContact CD2-CG1 4.43Å; L112-V128 HydrophobicContact CD2-CG2 3.95Å; L112-V128 HydrophobicContact CG-CB 4.47Å; L112-V128 HydrophobicContact CG-CG2 3.9Å; L112-V128 PolarHBondContact O-N 2.97Å; V128-W167 WeakPolarHBondContact O-CZ3 3.3Å; V128-T170 HydrophobicContact CG1-CG2 3.68Å; V128-A174 HydrophobicContact CG1-CB 3.53Å; V128-A174 HydrophobicContact CG2-CB 4.36Å
129G93.3Very high94.6Very high21 Ų2135.2 Ų35.222%0.21617%0.17CC..THydrogen-bonded Turntrans89.615.5178.900000115.2L127 M161L127-G129 PolarHBondContact O-N 3.02Å; L127-G129 VanDerWaalsContact O-N 3.14Å; G129-M161 WeakPolarHBondContact O-CG 3.36Å; G129-M161 PolarHBondContact O-N 2.77Å
130T94.1Very high94.8Very high14 Ų1434.6 Ų34.69%0.08617%0.166CC..SBendtrans-98.3175.5161.466.50000111.5L127 P157L127-T130 HydrophobicContact CB-CG2 4Å; L127-T130 PolarHBondContact O-N 2.82Å; L127-T130 PolarHBondContact O-OG1 3.01Å; L127-T130 VanDerWaalsContact O-OG1 3.11Å; T130-P157 HydrophobicContact CG2-CB 3.82Å; T130-P157 HydrophobicContact CG2-CG 3.58Å
131D91.6Very high94.9Very high53 Ų5333.4 Ų33.428%0.28315%0.153SC..  trans-72.8-177.9163.762.519.6000112.5R133 N134D131-R133 HydrophobicContact CB-CG 4.48Å; D131-R133 PolarHBondContact OD1-N 3.19Å; D131-N134 PolarHBondContact OD1-ND2 3.25Å
132D90.4Very high94.8Very high91 Ų9133.7 Ų33.749%0.48716%0.156SC..SBendtrans-89.1-10.6177.258.4-12.4000114.4R126 N134R126-D132 VanDerWaalsContact NH2-CB 3.3Å; D132-N134 PolarHBondContact O-N 3.03Å
133R88Confident94.6Very high200 Ų20037.9 Ų37.976%0.75518%0.179SC*.THydrogen-bonded Turntrans-74.1-8.2-175.6-55.4178.1177.5-169.4-4.5113.5D131D131-R133 HydrophobicContact CB-CG 4.48Å; D131-R133 PolarHBondContact OD1-N 3.19Å
134N88Confident94.4Very high39 Ų3940.1 Ų40.121%0.20919%0.189CC..THydrogen-bonded Turntrans-133.432.9-172.7-57.8-91.2000110.9R55 D131 D132 Y136R55-N134 VanDerWaalsContact CZ-CG 3.47Å; R55-N134 PolarHBondContact NH1-ND2 2.82Å; R55-N134 PolarHBondContact NH1-OD1 3.49Å; D131-N134 PolarHBondContact OD1-ND2 3.25Å; D132-N134 PolarHBondContact O-N 3.03Å; N134-Y136 VanDerWaalsContact O-CD2 3.22Å; N134-Y136 WeakPolarHBondContact O-CD2 3.27Å; N134-Y136 VanDerWaalsContact O-CE2 3.29Å; N134-Y136 WeakPolarHBondContact O-CE2 3.41Å
135D94.4Very high94.4Very high17 Ų1737.7 Ų37.79%0.09118%0.18CC..  trans-63.7141.6166.4-67.7-15.3000109.9R124 I125 R126R124-D135 HydrophobicContact CG-CB 4.03Å; R124-D135 IonicContact CZ-OD2 2.69Å; R124-D135 VanDerWaalsContact CZ-OD2 3.27Å; R124-D135 IonicContact NE-OD2 2.66Å; R124-D135 PolarHBondContact NE-OD2 3.05Å; R124-D135 IonicContact NH2-OD2 2.69Å; R124-D135 PolarHBondContact NH2-OD2 3.42Å; I125-D135 WeakPolarHBondContact O-CA 3.18Å; R126-D135 WeakPolarHBondContact CB-OD1 3.44Å; R126-D135 WeakPolarHBondContact CG-OD1 3.45Å; R126-D135 IonicContact CZ-OD1 3.33Å; R126-D135 IonicContact CZ-OD2 2.66Å; R126-D135 IonicContact NE-OD1 2.69Å; R126-D135 PolarHBondContact NE-OD1 3.23Å; R126-D135 IonicContact NE-OD2 3.55Å; R126-D135 IonicContact NH2-OD1 2.73Å; R126-D135 PolarHBondContact NH2-OD1 3.05Å; R126-D135 IonicContact NH2-OD2 3.43Å; R126-D135 PolarHBondContact NH2-OD2 2.91Å
136Y92.8Very high94.3Very high60 Ų6040.2 Ų40.224%0.23519%0.19CC..EExtended strand (participates in β ladder)trans-119.1145177.1-73.3-79.6000111.3Q54 R55 I125 N134 F138Q54-Y136 HydrophobicContact CB-CD1 4.11Å; Q54-Y136 HydrophobicContact CB-CD2 4.47Å; Q54-Y136 HydrophobicContact CB-CE1 3.73Å; Q54-Y136 HydrophobicContact CB-CE2 4.11Å; Q54-Y136 HydrophobicContact CB-CG 4.47Å; Q54-Y136 HydrophobicContact CG-CD1 3.71Å; Q54-Y136 HydrophobicContact CG-CD2 4.24Å; Q54-Y136 HydrophobicContact CG-CE1 3.88Å; Q54-Y136 HydrophobicContact CG-CE2 4.38Å; Q54-Y136 HydrophobicContact CG-CG 3.91Å; R55-Y136 HydrophobicContact CG-CE2 4.48Å; R55-Y136 VanDerWaalsContact CG-OH 3.27Å; R55-Y136 WeakPolarHBondContact CG-OH 3.28Å; I125-Y136 PolarHBondContact N-O 3.44Å; I125-Y136 PolarHBondContact O-N 2.89Å; N134-Y136 VanDerWaalsContact O-CD2 3.22Å; N134-Y136 WeakPolarHBondContact O-CD2 3.27Å; N134-Y136 VanDerWaalsContact O-CE2 3.29Å; N134-Y136 WeakPolarHBondContact O-CE2 3.41Å; Y136-F138 HydrophobicContact CG-CZ 4.48Å
137W96.3Very high94.3Very high25 Ų2538.8 Ų38.810%0.09519%0.189CC..EExtended strand (participates in β ladder)trans-103.8108.7177.5-76.695000110.8E117 C119 R122 L123 R124 Q213E117-W137 HydrophobicContact CB-CH2 4.13Å; E117-W137 HydrophobicContact CG-CH2 4.05Å; C119-W137 HydrophobicContact CB-CH2 3.98Å; C119-W137 HydrophobicContact CB-CZ3 3.95Å; R122-W137 HydrophobicContact CB-CE3 3.79Å; R122-W137 HydrophobicContact CB-CZ3 4.17Å; R122-W137 VanDerWaalsContact NH2-CB 3.28Å; L123-W137 CarbonylContact O-C 3.53Å; L123-W137 VanDerWaalsContact O-CA 3.3Å; L123-W137 WeakPolarHBondContact O-CA 3.16Å; R124-W137 HydrophobicContact CB-CD2 3.87Å; R124-W137 HydrophobicContact CB-CE3 3.92Å; R124-W137 HydrophobicContact CB-CH2 3.91Å; R124-W137 HydrophobicContact CB-CZ2 3.81Å; R124-W137 HydrophobicContact CB-CZ3 3.95Å; R124-W137 HydrophobicContact CG-CD2 4.35Å; R124-W137 HydrophobicContact CG-CZ2 4.17Å; W137-Q213 HydrophobicContact CZ2-CB 4.2Å; W137-Q213 HydrophobicContact CZ2-CG 3.75Å
138F96.6Very high94.3Very high11 Ų1141 Ų415%0.04820%0.198CC..EExtended strand (participates in β ladder)trans-105.6160.9176-58.6-71.4000111.3A51 Q54 R122 L123 I125 Y136 Q144 I145A51-F138 HydrophobicContact CB-CE2 4.23Å; Q54-F138 HydrophobicContact CG-CE1 4.13Å; Q54-F138 HydrophobicContact CG-CZ 3.95Å; R122-F138 CarbonylContact C-O 3.53Å; R122-F138 VanDerWaalsContact CA-O 3.29Å; R122-F138 WeakPolarHBondContact CA-O 3.38Å; L123-F138 PolarHBondContact N-O 3.16Å; L123-F138 PolarHBondContact O-N 3.36Å; I125-F138 HydrophobicContact CB-CD2 4.03Å; I125-F138 HydrophobicContact CB-CE2 4.17Å; I125-F138 HydrophobicContact CG1-CD2 3.76Å; I125-F138 HydrophobicContact CG1-CE2 4.38Å; I125-F138 HydrophobicContact CG2-CE2 4.5Å; Y136-F138 HydrophobicContact CG-CZ 4.48Å; F138-Q144 HydrophobicContact CD1-CB 3.84Å; F138-Q144 HydrophobicContact CE1-CB 3.71Å; F138-Q144 HydrophobicContact CE1-CG 4.43Å; F138-Q144 HydrophobicContact CZ-CB 4.45Å; F138-I145 HydrophobicContact CB-CG2 3.97Å; F138-I145 HydrophobicContact CD2-CG2 3.77Å; F138-I145 HydrophobicContact CE2-CG2 4.47Å; F138-I145 HydrophobicContact CG-CG2 3.95Å
139L97Very high94.2Very high6 Ų644.6 Ų44.63%0.03122%0.221CC..EExtended strand (participates in β ladder)trans-85.7154168.3-67.5161.2000110.6P121 R122 D141 S142 I145 R248 F251 W255P121-L139 HydrophobicContact CB-CD2 4.29Å; P121-L139 HydrophobicContact CG-CD2 4.19Å; P121-L139 WeakPolarHBondContact O-CA 3.48Å; R122-L139 HydrophobicContact CG-CD2 3.63Å; R122-L139 HydrophobicContact CG-CG 4.49Å; L139-D141 VanDerWaalsContact CB-OD1 3.22Å; L139-D141 WeakPolarHBondContact CB-OD1 3.26Å; L139-D141 PolarHBondContact O-N 3.37Å; L139-S142 WeakPolarHBondContact O-CB 3.41Å; L139-S142 PolarHBondContact O-N 3.45Å; L139-S142 VanDerWaalsContact O-N 3.09Å; L139-I145 WeakPolarHBondContact O-CD1 3.46Å; L139-R248 HydrophobicContact CD1-CB 4.17Å; L139-R248 VanDerWaalsContact CD1-NH2 3.35Å; L139-F251 HydrophobicContact CD1-CE1 3.91Å; L139-F251 HydrophobicContact CD1-CZ 4.26Å; L139-F251 HydrophobicContact CD2-CE1 4.17Å; L139-F251 HydrophobicContact CD2-CZ 4.41Å; L139-W255 HydrophobicContact CD2-CH2 3.65Å; L139-W255 HydrophobicContact CD2-CZ2 4.21Å
140V97.5Very high94.2Very high1 Ų145.6 Ų45.61%0.00623%0.225CC..THydrogen-bonded Turntrans-63.6-16.9173.4-65.30000114.2P39 N41 F43 P121 L123 I187P39-V140 HydrophobicContact CB-CG2 3.72Å; P39-V140 HydrophobicContact CG-CG2 3.52Å; N41-V140 HydrophobicContact CB-CG1 4.1Å; F43-V140 HydrophobicContact CD2-CB 4.42Å; F43-V140 HydrophobicContact CD2-CG1 3.65Å; F43-V140 HydrophobicContact CE2-CB 4.01Å; F43-V140 HydrophobicContact CE2-CG1 3.71Å; P121-V140 HydrophobicContact CB-CG2 4.24Å; P121-V140 PolarHBondContact O-N 3.42Å; L123-V140 HydrophobicContact CD1-CG1 4.18Å; L123-V140 HydrophobicContact CD2-CG1 3.9Å; L123-V140 HydrophobicContact CG-CG1 3.95Å; V140-I187 HydrophobicContact CG2-CD1 4.11Å; V140-I187 PolarHBondContact O-N 3.28Å; V140-I187 VanDerWaalsContact O-N 3.09Å
141D96.5Very high94Very high0 Ų048.5 Ų48.50%026%0.257CS..THydrogen-bonded Turntrans-105.124.1174.469.42.4000112.6S35 P39 L139 I187 Q189 P190 R248S35-D141 PolarHBondContact OG-OD2 3.1Å; P39-D141 HydrophobicContact CG-CB 4.25Å; L139-D141 VanDerWaalsContact CB-OD1 3.22Å; L139-D141 WeakPolarHBondContact CB-OD1 3.26Å; L139-D141 PolarHBondContact O-N 3.37Å; D141-I187 WeakPolarHBondContact CA-O 3.4Å; D141-I187 HydrophobicContact CB-CB 4.08Å; D141-I187 HydrophobicContact CB-CG2 3.91Å; D141-Q189 WeakPolarHBondContact O-CA 3.22Å; D141-P190 WeakPolarHBondContact OD2-CD 3.32Å; D141-R248 PolarHBondContact O-NH1 2.84Å; D141-R248 IonicContact OD1-CZ 3.65Å; D141-R248 VanDerWaalsContact OD1-CZ 3.22Å; D141-R248 IonicContact OD1-NH1 3.58Å; D141-R248 PolarHBondContact OD1-NH1 2.89Å; D141-R248 IonicContact OD1-NH2 3.48Å; D141-R248 PolarHBondContact OD1-NH2 2.87Å; D141-R248 IonicContact OD2-CZ 2.8Å; D141-R248 IonicContact OD2-NH2 3.42Å; D141-R248 PolarHBondContact OD2-NH2 2.86Å
142S95.3Very high93.9Very high10 Ų1048.4 Ų48.47%0.0726%0.261CS..  trans-89133.3178.7-171.20000112.2L139 Q144 I145L139-S142 WeakPolarHBondContact O-CB 3.41Å; L139-S142 PolarHBondContact O-N 3.45Å; L139-S142 VanDerWaalsContact O-N 3.09Å; S142-Q144 PolarHBondContact O-N 3.11Å; S142-Q144 WeakPolarHBondContact OG-CB 3.38Å; S142-Q144 PolarHBondContact OG-N 3.32Å; S142-I145 VanDerWaalsContact O-CG1 3.28Å; S142-I145 WeakPolarHBondContact O-CG1 3.49Å; S142-I145 PolarHBondContact O-N 3.08Å
143D92.8Very high93.8Very high96 Ų9648.7 Ų48.751%0.51327%0.268SS..THydrogen-bonded Turntrans-67.5-11.6169.254.3-16.1000113.3I145 Q189D143-I145 VanDerWaalsContact C-N 3.29Å; D143-Q189 PolarHBondContact OD1-NE2 3.3Å; D143-Q189 PolarHBondContact OD2-NE2 3.4Å
144Q94.3Very high94.1Very high47 Ų4740.1 Ų40.122%0.2224%0.237CC..THydrogen-bonded Turntrans-82.3-2.9175.9-55.1-170.8-6600113.5A51 E52 Q54 F138 S142A51-Q144 CarbonylContact C-O 3.57Å; A51-Q144 WeakPolarHBondContact CA-O 3.45Å; E52-Q144 HydrophobicContact CB-CB 4.09Å; E52-Q144 PolarHBondContact N-O 2.98Å; E52-Q144 PolarHBondContact OE2-NE2 2.83Å; Q54-Q144 VanDerWaalsContact CD-NE2 3.34Å; F138-Q144 HydrophobicContact CD1-CB 3.84Å; F138-Q144 HydrophobicContact CE1-CB 3.71Å; F138-Q144 HydrophobicContact CE1-CG 4.43Å; F138-Q144 HydrophobicContact CZ-CB 4.45Å; S142-Q144 PolarHBondContact O-N 3.11Å; S142-Q144 WeakPolarHBondContact OG-CB 3.38Å; S142-Q144 PolarHBondContact OG-N 3.32Å
145I96.1Very high94.2Very high8 Ų841.5 Ų41.54%0.04124%0.242CC..EExtended strand (participates in β ladder)trans-125.4150.1170.561.1170.5000110.5F43 L49 E50 A51 L123 F138 L139 S142 D143 F186F43-I145 HydrophobicContact CZ-CD1 4.19Å; L49-I145 HydrophobicContact CD1-CB 4.39Å; L49-I145 HydrophobicContact CD1-CG2 4.24Å; E50-I145 CarbonylContact O-C 3.58Å; E50-I145 WeakPolarHBondContact O-CA 3.28Å; A51-I145 HydrophobicContact CB-CG2 4.12Å; L123-I145 HydrophobicContact CD1-CD1 3.77Å; F138-I145 HydrophobicContact CB-CG2 3.97Å; F138-I145 HydrophobicContact CD2-CG2 3.77Å; F138-I145 HydrophobicContact CE2-CG2 4.47Å; F138-I145 HydrophobicContact CG-CG2 3.95Å; L139-I145 WeakPolarHBondContact O-CD1 3.46Å; S142-I145 VanDerWaalsContact O-CG1 3.28Å; S142-I145 WeakPolarHBondContact O-CG1 3.49Å; S142-I145 PolarHBondContact O-N 3.08Å; D143-I145 VanDerWaalsContact C-N 3.29Å; I145-F186 HydrophobicContact CB-CE1 4.27Å; I145-F186 HydrophobicContact CD1-CD1 4.25Å; I145-F186 HydrophobicContact CD1-CE1 4.26Å; I145-F186 HydrophobicContact CG1-CD1 4.16Å; I145-F186 HydrophobicContact CG1-CE1 4.23Å
146R96.3Very high94.1Very high54 Ų5442.1 Ų42.120%0.20425%0.247CC..EExtended strand (participates in β ladder)trans-157163.4176.366.8-172.5-174.9-166.6-1.1112.5E50 F110 S150 S152 F186E50-R146 HydrophobicContact CB-CG 3.77Å; E50-R146 PolarHBondContact N-O 3.49Å; E50-R146 PolarHBondContact O-N 3.29Å; E50-R146 IonicContact OE2-CZ 3.18Å; E50-R146 IonicContact OE2-NE 2.81Å; E50-R146 PolarHBondContact OE2-NE 3.49Å; E50-R146 IonicContact OE2-NH2 2.71Å; E50-R146 PolarHBondContact OE2-NH2 3.02Å; F110-R146 HydrophobicContact CD1-CG 4.08Å; F110-R146 HydrophobicContact CE1-CG 3.95Å; R146-S150 PolarHBondContact NE-OG 3.02Å; R146-S150 PolarHBondContact NH2-OG 3.2Å; R146-S152 VanDerWaalsContact NH2-CB 3.34Å; R146-F186 VanDerWaalsContact C-CZ 3.41Å; R146-F186 VanDerWaalsContact CA-CE1 3.4Å; R146-F186 WeakPolarHBondContact O-CE1 3.47Å
147P97.2Very high94.1Very high38 Ų3839.4 Ų39.425%0.24724%0.237CC..  trans-57.5149.2178-23.132.1000112.9S150 P183 F186P147-S150 PolarHBondContact O-N 3.28Å; P147-P183 HydrophobicContact CB-CG 4.33Å; P147-P183 HydrophobicContact CG-CB 4.16Å; P147-P183 HydrophobicContact CG-CG 4.43Å; P147-F186 HydrophobicContact CB-CD2 4.44Å; P147-F186 HydrophobicContact CB-CE2 4.06Å; P147-F186 HydrophobicContact CB-CZ 4.45Å; P147-F186 HydrophobicContact CG-CD2 3.62Å; P147-F186 HydrophobicContact CG-CE2 3.73Å; P147-F186 HydrophobicContact CG-CG 4.06Å; P147-F186 HydrophobicContact CG-CZ 4.26Å
148Y96.3Very high93.8Very high52 Ų5243 Ų4320%0.20425%0.254CS..SBendtrans-107.4130.9166.6177.1-97.1000110I48 E50 L112 L154 T175 F180I48-Y148 HydrophobicContact CG2-CD1 4.15Å; I48-Y148 HydrophobicContact CG2-CG 4.22Å; E50-Y148 HydrophobicContact CG-CD2 3.81Å; E50-Y148 HydrophobicContact CG-CG 4.38Å; L112-Y148 HydrophobicContact CD1-CD1 4.24Å; L112-Y148 HydrophobicContact CD1-CD2 3.44Å; L112-Y148 VanDerWaalsContact CD1-CD2 3.44Å; L112-Y148 HydrophobicContact CD1-CE1 4.46Å; L112-Y148 HydrophobicContact CD1-CE2 3.7Å; L112-Y148 HydrophobicContact CD1-CG 3.75Å; Y148-L154 HydrophobicContact CD2-CD1 3.95Å; Y148-L154 HydrophobicContact CE2-CD1 3.78Å; Y148-T175 HydrophobicContact CD1-CG2 4.21Å; Y148-T175 HydrophobicContact CE1-CG2 3.41Å; Y148-T175 VanDerWaalsContact CE1-CG2 3.41Å; Y148-F180 HydrophobicContact CD1-CD1 4.09Å; Y148-F180 HydrophobicContact CD1-CD2 4.19Å; Y148-F180 HydrophobicContact CD1-CE1 4.06Å; Y148-F180 HydrophobicContact CD1-CE2 4.17Å; Y148-F180 HydrophobicContact CD1-CG 4.17Å; Y148-F180 HydrophobicContact CD1-CZ 4.11Å; Y148-F180 HydrophobicContact CE1-CE1 4.16Å; Y148-F180 HydrophobicContact CE1-CE2 4.22Å; Y148-F180 AromaticContact CE1-CZ 3.95Å; Y148-F180 HydrophobicContact CE1-CZ 3.95Å
149P94.2Very high93.4Very high93 Ų9344.7 Ų44.760%0.60427%0.274SS*.  cis-85.4135.7-433.3-33.4000113.1G151P149-G151 VanDerWaalsContact C-N 3.31Å; P149-G151 PolarHBondContact O-N 2.88Å
150S92.2Very high93.2Very high43 Ų4345.2 Ų45.230%0.30128%0.275SS..  trans-83.2-1.8175.470.50000114.7E50 R146 P147 S152E50-S150 VanDerWaalsContact OE1-CB 3.31Å; E50-S150 WeakPolarHBondContact OE1-CB 3.25Å; E50-S150 PolarHBondContact OE1-N 3.27Å; E50-S150 PolarHBondContact OE1-OG 3.29Å; E50-S150 WeakPolarHBondContact OE2-CB 3.14Å; E50-S150 PolarHBondContact OE2-OG 2.92Å; R146-S150 PolarHBondContact NE-OG 3.02Å; R146-S150 PolarHBondContact NH2-OG 3.2Å; P147-S150 PolarHBondContact O-N 3.28Å; S150-S152 PolarHBondContact O-N 3.44Å; S150-S152 VanDerWaalsContact O-N 3.15Å; S150-S152 WeakPolarHBondContact OG-CB 3.46Å; S150-S152 PolarHBondContact OG-N 3.45Å
151G90.4Very high92.8Very high74 Ų7451.4 Ų51.476%0.76331%0.306SS*.SBendtrans72-8-16900000115.2P149P149-G151 VanDerWaalsContact C-N 3.31Å; P149-G151 PolarHBondContact O-N 2.88Å
152S88.6Confident92.5Very high52 Ų5256.6 Ų56.636%0.36433%0.33SS..SBendtrans-86.6150177.5-68.40000112.8R146 S150 L154R146-S152 VanDerWaalsContact NH2-CB 3.34Å; S150-S152 PolarHBondContact O-N 3.44Å; S150-S152 VanDerWaalsContact O-N 3.15Å; S150-S152 WeakPolarHBondContact OG-CB 3.46Å; S150-S152 PolarHBondContact OG-N 3.45Å; S152-L154 PolarHBondContact O-N 3.03Å; S152-L154 VanDerWaalsContact O-N 3.13Å
153P89.6Confident92.2Very high96 Ų9661 Ų6162%0.62335%0.352SS*.  trans-76.5102.3-177.329.9-35.1000113Q155P153-Q155 PolarHBondContact O-NE2 2.79Å
154L93.1Very high92Very high21 Ų2162.2 Ų62.211%0.1136%0.355CS..PPolyproline II helixtrans-60.7132.2176.4-71.4178.8000113.7E50 F110 L112 Y148 S152 W167 L171E50-L154 HydrophobicContact CB-CD2 4.11Å; E50-L154 VanDerWaalsContact CD-CD2 3.49Å; E50-L154 HydrophobicContact CG-CD1 4.17Å; E50-L154 HydrophobicContact CG-CD2 3.8Å; E50-L154 HydrophobicContact CG-CG 4.42Å; E50-L154 VanDerWaalsContact OE2-CD2 3.28Å; E50-L154 WeakPolarHBondContact OE2-CD2 3.32Å; F110-L154 HydrophobicContact CB-CD2 4.07Å; F110-L154 WeakPolarHBondContact O-CD2 3.23Å; L112-L154 HydrophobicContact CB-CD1 3.97Å; L112-L154 HydrophobicContact CD1-CD1 3.9Å; Y148-L154 HydrophobicContact CD2-CD1 3.95Å; Y148-L154 HydrophobicContact CE2-CD1 3.78Å; S152-L154 PolarHBondContact O-N 3.03Å; S152-L154 VanDerWaalsContact O-N 3.13Å; L154-W167 HydrophobicContact CB-CZ2 4.48Å; L154-W167 PolarHBondContact O-NE1 2.71Å; L154-W167 VanDerWaalsContact O-NE1 3.08Å; L154-L171 HydrophobicContact CD1-CD2 4.05Å
155Q91Very high91.9Very high68 Ų6867.3 Ų67.332%0.31838%0.383SS..PPolyproline II helixtrans-92.5150.9175.8-58-54.1-69.500111.5A107 A108 F110 P153 W167A107-Q155 HydrophobicContact CB-CG 3.98Å; A108-Q155 WeakPolarHBondContact O-CG 3.36Å; F110-Q155 PolarHBondContact O-N 3.4Å; F110-Q155 VanDerWaalsContact O-N 3.1Å; P153-Q155 PolarHBondContact O-NE2 2.79Å; Q155-W167 WeakPolarHBondContact O-CZ2 3.29Å
156P92.8Very high91.7Very high30 Ų3069.6 Ų69.620%0.19540%0.397CS..PPolyproline II helixtrans-62.5135.7165.1-3.716.5000108.7Y160 H164 W167P156-Y160 HydrophobicContact CB-CD1 4.01Å; P156-Y160 HydrophobicContact CB-CE1 4.49Å; P156-Y160 HydrophobicContact CB-CG 4.14Å; P156-H164 HydrophobicContact CG-CB 4.39Å; P156-W167 HydrophobicContact CB-CB 4.34Å; P156-W167 HydrophobicContact CB-CD2 3.82Å; P156-W167 HydrophobicContact CB-CE3 4.1Å; P156-W167 HydrophobicContact CB-CG 3.93Å; P156-W167 HydrophobicContact CG-CB 3.96Å; P156-W167 HydrophobicContact CG-CD2 4.04Å; P156-W167 HydrophobicContact CG-CG 3.64Å
157P92.8Very high91.6Very high3 Ų367.5 Ų67.52%0.01939%0.389CS..PPolyproline II helixtrans-67156.4-176.126.6-33.9000112.2S111 L127 T130 G159 Y160S111-P157 WeakPolarHBondContact OG-CD 3.08Å; L127-P157 HydrophobicContact CB-CB 3.79Å; L127-P157 HydrophobicContact CB-CG 4.02Å; L127-P157 HydrophobicContact CD1-CB 3.62Å; L127-P157 HydrophobicContact CG-CB 4.35Å; T130-P157 HydrophobicContact CG2-CB 3.82Å; T130-P157 HydrophobicContact CG2-CG 3.58Å; P157-G159 PolarHBondContact O-N 3.22Å; P157-Y160 HydrophobicContact CG-CD2 4.36Å; P157-Y160 WeakPolarHBondContact O-CB 3.1Å; P157-Y160 PolarHBondContact O-N 2.9Å
158F88.9Confident91.4Very high101 Ų10171.3 Ų71.344%0.44341%0.407SS..THydrogen-bonded Turntrans-55.9136.8164.7-168-85000108.8D53 R55 L59 Y160D53-F158 WeakPolarHBondContact OD2-CB 3.21Å; D53-F158 PolarHBondContact OD2-N 3.41Å; R55-F158 HydrophobicContact CB-CB 3.93Å; R55-F158 HydrophobicContact CB-CD1 4.06Å; R55-F158 HydrophobicContact CB-CG 4Å; R55-F158 PolarHBondContact NH2-O 3.13Å; L59-F158 HydrophobicContact CD1-CD2 3.87Å; L59-F158 HydrophobicContact CD1-CE2 3.64Å; F158-Y160 VanDerWaalsContact C-N 3.26Å; F158-Y160 PolarHBondContact O-N 3.42Å
159G88.1Confident91.4Very high46 Ų4678.1 Ų78.147%0.47443%0.433SS..THydrogen-bonded Turntrans70.814.8-174.600000115.2P157 M161P157-G159 PolarHBondContact O-N 3.22Å; G159-M161 PolarHBondContact O-N 3.01Å
160Y92.8Very high91.4Very high17 Ų1775 Ų757%0.06741%0.412CS..  trans-52.6121.5169.1177-118.3000110.9P156 P157 F158 H162 H164 W167 T170P156-Y160 HydrophobicContact CB-CD1 4.01Å; P156-Y160 HydrophobicContact CB-CE1 4.49Å; P156-Y160 HydrophobicContact CB-CG 4.14Å; P157-Y160 HydrophobicContact CG-CD2 4.36Å; P157-Y160 WeakPolarHBondContact O-CB 3.1Å; P157-Y160 PolarHBondContact O-N 2.9Å; F158-Y160 VanDerWaalsContact C-N 3.26Å; F158-Y160 PolarHBondContact O-N 3.42Å; Y160-H162 HydrophobicContact CD1-CB 4.4Å; Y160-H162 WeakPolarHBondContact CD1-O 3.4Å; Y160-H162 HydrophobicContact CE1-CB 3.75Å; Y160-H162 VanDerWaalsContact CE1-O 3.27Å; Y160-H162 WeakPolarHBondContact CE1-O 3.22Å; Y160-H162 HydrophobicContact CE2-CB 4.35Å; Y160-H162 PolarHBondContact O-N 2.66Å; Y160-H162 VanDerWaalsContact O-N 3.13Å; Y160-H164 AromaticContact CD1-ND1 3.99Å; Y160-W167 HydrophobicContact CD2-CE3 4.15Å; Y160-W167 HydrophobicContact CD2-CZ3 4.17Å; Y160-W167 HydrophobicContact CE1-CE3 4.5Å; Y160-W167 AromaticContact CE2-CE3 3.62Å; Y160-W167 HydrophobicContact CE2-CE3 3.62Å; Y160-W167 AromaticContact CE2-CZ3 3.88Å; Y160-W167 HydrophobicContact CE2-CZ3 3.88Å; Y160-W167 AromaticContact CZ-CE3 3.81Å; Y160-W167 WeakPolarHBondContact OH-CA 3.38Å; Y160-T170 HydrophobicContact CE2-CG2 4.14Å; Y160-T170 WeakPolarHBondContact OH-CB 3.44Å; Y160-T170 PolarHBondContact OH-OG1 3.29Å
161M90.4Very high91.5Very high131 Ų13174.2 Ų74.265%0.64540%0.404SS*.SBendtrans-75.5-1.5-166.6-61.8170.870.900114.7G129 G159G129-M161 WeakPolarHBondContact O-CG 3.36Å; G129-M161 PolarHBondContact O-N 2.77Å; G159-M161 PolarHBondContact O-N 3.01Å
162H89.6Confident91.8Very high109 Ų10978 Ų7851%0.50540%0.4SS..SBendtrans-125.5169.4-174.1-55.577.6000111Y160 H164 V166Y160-H162 HydrophobicContact CD1-CB 4.4Å; Y160-H162 WeakPolarHBondContact CD1-O 3.4Å; Y160-H162 HydrophobicContact CE1-CB 3.75Å; Y160-H162 VanDerWaalsContact CE1-O 3.27Å; Y160-H162 WeakPolarHBondContact CE1-O 3.22Å; Y160-H162 HydrophobicContact CE2-CB 4.35Å; Y160-H162 PolarHBondContact O-N 2.66Å; Y160-H162 VanDerWaalsContact O-N 3.13Å; H162-H164 PolarHBondContact O-N 3.09Å; H162-V166 HydrophobicContact CB-CG2 3.93Å
163N89Confident92.1Very high101 Ų10183.4 Ų83.454%0.5442%0.417SS..  trans-64.4127174.5-175.2-41.7000110.5L165 V166N163-L165 PolarHBondContact O-N 3.42Å; N163-L165 WeakPolarHBondContact OD1-CB 3.45Å; N163-L165 WeakPolarHBondContact OD1-CG 3.29Å; N163-L165 PolarHBondContact OD1-N 3.43Å; N163-V166 WeakPolarHBondContact O-CG2 3.4Å; N163-V166 PolarHBondContact O-N 2.99Å
164H88.6Confident92.4Very high123 Ų12379.5 Ų79.557%0.56939%0.393SS*.G310 helixtrans-50.7-26.2-179.7-59.5-71.8000114.5P156 Y160 H162 V166 W167P156-H164 HydrophobicContact CG-CB 4.39Å; Y160-H164 AromaticContact CD1-ND1 3.99Å; H162-H164 PolarHBondContact O-N 3.09Å; H164-V166 PolarHBondContact O-N 3.27Å; H164-W167 VanDerWaalsContact O-CB 3.23Å; H164-W167 WeakPolarHBondContact O-CB 3.38Å; H164-W167 PolarHBondContact O-N 3.04Å; H164-W167 VanDerWaalsContact O-N 3.11Å
165L91.1Very high92.5Very high154 Ų15479.8 Ų79.881%0.80640%0.395SS*.G310 helixtrans-62.3-21.5174.9-63.3175.4000114N163N163-L165 PolarHBondContact O-N 3.42Å; N163-L165 WeakPolarHBondContact OD1-CB 3.45Å; N163-L165 WeakPolarHBondContact OD1-CG 3.29Å; N163-L165 PolarHBondContact OD1-N 3.43Å
166V93.1Very high92.7Very high55 Ų5583.7 Ų83.733%0.33341%0.413SS..G310 helixtrans-95.32.9175.4-47.20000113.8H162 N163 H164 N168 R169 T170H162-V166 HydrophobicContact CB-CG2 3.93Å; N163-V166 WeakPolarHBondContact O-CG2 3.4Å; N163-V166 PolarHBondContact O-N 2.99Å; H164-V166 PolarHBondContact O-N 3.27Å; V166-N168 VanDerWaalsContact C-N 3.32Å; V166-N168 PolarHBondContact O-N 2.78Å; V166-R169 WeakPolarHBondContact O-CA 3.49Å; V166-R169 WeakPolarHBondContact O-CB 3.22Å; V166-R169 PolarHBondContact O-N 2.95Å; V166-T170 PolarHBondContact O-N 3.06Å
167W94.1Very high92.7Very high10 Ų1086.7 Ų86.74%0.03845%0.449CS..Hα-helixtrans-52.5-46.1-179.5177.4-127.3000113L112 V128 L154 Q155 P156 Y160 H164 R169 T170 L171L112-W167 HydrophobicContact CB-CH2 4.22Å; V128-W167 WeakPolarHBondContact O-CZ3 3.3Å; L154-W167 HydrophobicContact CB-CZ2 4.48Å; L154-W167 PolarHBondContact O-NE1 2.71Å; L154-W167 VanDerWaalsContact O-NE1 3.08Å; Q155-W167 WeakPolarHBondContact O-CZ2 3.29Å; P156-W167 HydrophobicContact CB-CB 4.34Å; P156-W167 HydrophobicContact CB-CD2 3.82Å; P156-W167 HydrophobicContact CB-CE3 4.1Å; P156-W167 HydrophobicContact CB-CG 3.93Å; P156-W167 HydrophobicContact CG-CB 3.96Å; P156-W167 HydrophobicContact CG-CD2 4.04Å; P156-W167 HydrophobicContact CG-CG 3.64Å; Y160-W167 HydrophobicContact CD2-CE3 4.15Å; Y160-W167 HydrophobicContact CD2-CZ3 4.17Å; Y160-W167 HydrophobicContact CE1-CE3 4.5Å; Y160-W167 AromaticContact CE2-CE3 3.62Å; Y160-W167 HydrophobicContact CE2-CE3 3.62Å; Y160-W167 AromaticContact CE2-CZ3 3.88Å; Y160-W167 HydrophobicContact CE2-CZ3 3.88Å; Y160-W167 AromaticContact CZ-CE3 3.81Å; Y160-W167 WeakPolarHBondContact OH-CA 3.38Å; H164-W167 VanDerWaalsContact O-CB 3.23Å; H164-W167 WeakPolarHBondContact O-CB 3.38Å; H164-W167 PolarHBondContact O-N 3.04Å; H164-W167 VanDerWaalsContact O-N 3.11Å; W167-R169 PolarHBondContact O-N 2.8Å; W167-R169 VanDerWaalsContact O-N 3.15Å; W167-T170 HydrophobicContact CE3-CG2 4.26Å; W167-T170 HydrophobicContact CZ3-CG2 4.11Å; W167-T170 CarbonylContact O-C 3.59Å; W167-T170 WeakPolarHBondContact O-CA 3.22Å; W167-T170 WeakPolarHBondContact O-CB 3.43Å; W167-T170 PolarHBondContact O-N 2.75Å; W167-L171 HydrophobicContact CD2-CD1 4.43Å; W167-L171 HydrophobicContact CD2-CD2 4.47Å; W167-L171 HydrophobicContact CD2-CG 4.04Å; W167-L171 HydrophobicContact CG-CG 4.49Å; W167-L171 HydrophobicContact CH2-CD2 3.85Å; W167-L171 HydrophobicContact CH2-CG 4.41Å; W167-L171 HydrophobicContact CZ2-CD1 4.38Å; W167-L171 HydrophobicContact CZ2-CD2 3.46Å; W167-L171 VanDerWaalsContact CZ2-CD2 3.46Å; W167-L171 HydrophobicContact CZ2-CG 3.93Å; W167-L171 HydrophobicContact CZ3-CD2 4.48Å; W167-L171 PolarHBondContact O-N 2.8Å
168N93.5Very high92.8Very high118 Ų11888.1 Ų88.163%0.63146%0.458SS*.Hα-helixtrans-62.1-23177-67.2-23.7000113.8V166 K172V166-N168 VanDerWaalsContact C-N 3.32Å; V166-N168 PolarHBondContact O-N 2.78Å; N168-K172 WeakPolarHBondContact O-CG 3.46Å
169R95.2Very high93.1Very high195 Ų19591.2 Ų91.274%0.73647%0.467SS*.Hα-helixtrans-83-38.9172.3-172.2-174.9-69.6-176.5-3.2111V166 W167 K173V166-R169 WeakPolarHBondContact O-CA 3.49Å; V166-R169 WeakPolarHBondContact O-CB 3.22Å; V166-R169 PolarHBondContact O-N 2.95Å; W167-R169 PolarHBondContact O-N 2.8Å; W167-R169 VanDerWaalsContact O-N 3.15Å; R169-K173 WeakPolarHBondContact O-CB 3.3Å; R169-K173 PolarHBondContact O-N 3.05Å
170T95.1Very high93.6Very high29 Ų2993.1 Ų93.118%0.17846%0.462CS..Hα-helixtrans-61.6-46.6172.5-64.70000111.6V128 Y160 V166 W167 K172 K173 A174V128-T170 HydrophobicContact CG1-CG2 3.68Å; Y160-T170 HydrophobicContact CE2-CG2 4.14Å; Y160-T170 WeakPolarHBondContact OH-CB 3.44Å; Y160-T170 PolarHBondContact OH-OG1 3.29Å; V166-T170 PolarHBondContact O-N 3.06Å; W167-T170 HydrophobicContact CE3-CG2 4.26Å; W167-T170 HydrophobicContact CZ3-CG2 4.11Å; W167-T170 CarbonylContact O-C 3.59Å; W167-T170 WeakPolarHBondContact O-CA 3.22Å; W167-T170 WeakPolarHBondContact O-CB 3.43Å; W167-T170 PolarHBondContact O-N 2.75Å; T170-K172 PolarHBondContact O-N 2.81Å; T170-K173 PolarHBondContact O-N 2.96Å; T170-A174 WeakPolarHBondContact O-CB 3.4Å; T170-A174 PolarHBondContact O-N 2.86Å
171L94.8Very high93.8Very high25 Ų2592.5 Ų92.513%0.13146%0.46CS..Hα-helixtrans-51.6-58.7175-76.3177.8000110.7L112 L154 W167 K173 A174 T175L112-L171 HydrophobicContact CB-CD2 3.64Å; L112-L171 HydrophobicContact CD2-CD2 3.75Å; L112-L171 HydrophobicContact CG-CD2 4.2Å; L154-L171 HydrophobicContact CD1-CD2 4.05Å; W167-L171 HydrophobicContact CD2-CD1 4.43Å; W167-L171 HydrophobicContact CD2-CD2 4.47Å; W167-L171 HydrophobicContact CD2-CG 4.04Å; W167-L171 HydrophobicContact CG-CG 4.49Å; W167-L171 HydrophobicContact CH2-CD2 3.85Å; W167-L171 HydrophobicContact CH2-CG 4.41Å; W167-L171 HydrophobicContact CZ2-CD1 4.38Å; W167-L171 HydrophobicContact CZ2-CD2 3.46Å; W167-L171 VanDerWaalsContact CZ2-CD2 3.46Å; W167-L171 HydrophobicContact CZ2-CG 3.93Å; W167-L171 HydrophobicContact CZ3-CD2 4.48Å; W167-L171 PolarHBondContact O-N 2.8Å; L171-K173 PolarHBondContact O-N 2.97Å; L171-A174 PolarHBondContact O-N 2.8Å; L171-A174 VanDerWaalsContact O-N 3.09Å; L171-T175 WeakPolarHBondContact O-CG2 3.34Å; L171-T175 PolarHBondContact O-N 2.99Å; L171-T175 PolarHBondContact O-OG1 3.31Å; L171-T175 VanDerWaalsContact O-OG1 3.08Å
172K95.1Very high94.2Very high154 Ų15489.8 Ų89.867%0.6745%0.449SS*.Hα-helixtrans-52.3-54.7178.7-74.7-173.4173.4-156.90112.2N168 T170 A174 T175 E176N168-K172 WeakPolarHBondContact O-CG 3.46Å; T170-K172 PolarHBondContact O-N 2.81Å; K172-A174 PolarHBondContact O-N 3.27Å; K172-T175 PolarHBondContact O-N 3.37Å; K172-T175 VanDerWaalsContact O-N 3.13Å; K172-T175 PolarHBondContact O-OG1 3.21Å; K172-E176 VanDerWaalsContact O-CB 3.31Å; K172-E176 WeakPolarHBondContact O-CB 3.21Å; K172-E176 PolarHBondContact O-N 3.28Å
173K95.9Very high94.5Very high166 Ų16688.8 Ų88.872%0.72245%0.452SS*.Hα-helixtrans-61.1-30-179.7-178.2175178.3-178.90113.2R169 T170 L171R169-K173 WeakPolarHBondContact O-CB 3.3Å; R169-K173 PolarHBondContact O-N 3.05Å; T170-K173 PolarHBondContact O-N 2.96Å; L171-K173 PolarHBondContact O-N 2.97Å
174A94.7Very high94.9Very high14 Ų1488 Ų8812%0.11645%0.454CS..Hα-helixtrans-83-18.4179.900000113.8L112 V128 T170 L171 K172 T178L112-A174 HydrophobicContact CD2-CB 3.82Å; V128-A174 HydrophobicContact CG1-CB 3.53Å; V128-A174 HydrophobicContact CG2-CB 4.36Å; T170-A174 WeakPolarHBondContact O-CB 3.4Å; T170-A174 PolarHBondContact O-N 2.86Å; L171-A174 PolarHBondContact O-N 2.8Å; L171-A174 VanDerWaalsContact O-N 3.09Å; K172-A174 PolarHBondContact O-N 3.27Å; A174-T178 WeakPolarHBondContact O-CG2 3.29Å; A174-T178 PolarHBondContact O-OG1 3.13Å
175T95.7Very high95.3Very high26 Ų2684.3 Ų84.316%0.1644%0.435CS..Hα-helixtrans-99.6-19.1176.855.90000113.7L112 Y148 L171 K172 G177 T178 F180L112-T175 HydrophobicContact CD1-CG2 4.34Å; L112-T175 HydrophobicContact CD2-CG2 3.83Å; Y148-T175 HydrophobicContact CD1-CG2 4.21Å; Y148-T175 HydrophobicContact CE1-CG2 3.41Å; Y148-T175 VanDerWaalsContact CE1-CG2 3.41Å; L171-T175 WeakPolarHBondContact O-CG2 3.34Å; L171-T175 PolarHBondContact O-N 2.99Å; L171-T175 PolarHBondContact O-OG1 3.31Å; L171-T175 VanDerWaalsContact O-OG1 3.08Å; K172-T175 PolarHBondContact O-N 3.37Å; K172-T175 VanDerWaalsContact O-N 3.13Å; K172-T175 PolarHBondContact O-OG1 3.21Å; T175-G177 PolarHBondContact O-N 3.42Å; T175-T178 WeakPolarHBondContact CA-OG1 3.35Å; T175-T178 PolarHBondContact O-N 3.41Å; T175-T178 PolarHBondContact O-OG1 2.78Å; T175-T178 VanDerWaalsContact O-OG1 3.14Å; T175-F180 HydrophobicContact CG2-CE1 4.35Å
176E95.7Very high95.6Very high151 Ų15178.7 Ų78.771%0.70641%0.405SS*.THydrogen-bonded Turntrans-68.5116.9-178.7-175.9166.6-149.800110.8K172 T178K172-E176 VanDerWaalsContact O-CB 3.31Å; K172-E176 WeakPolarHBondContact O-CB 3.21Å; K172-E176 PolarHBondContact O-N 3.28Å; E176-T178 VanDerWaalsContact C-N 3.25Å; E176-T178 PolarHBondContact O-N 2.68Å
177G93.2Very high95.7Very high92 Ų9278.3 Ų78.395%0.94840%0.4SS*.THydrogen-bonded Turntrans71.97.1-179.800000115.9T175T175-G177 PolarHBondContact O-N 3.42Å
178T94Very high95.7Very high34 Ų3482.7 Ų82.721%0.20943%0.432CS..PPolyproline II helixtrans-101.8141.3-176.861.30000112.9R114 A174 T175 E176 F180R114-T178 VanDerWaalsContact NH2-CG2 3.29Å; A174-T178 WeakPolarHBondContact O-CG2 3.29Å; A174-T178 PolarHBondContact O-OG1 3.13Å; T175-T178 WeakPolarHBondContact CA-OG1 3.35Å; T175-T178 PolarHBondContact O-N 3.41Å; T175-T178 PolarHBondContact O-OG1 2.78Å; T175-T178 VanDerWaalsContact O-OG1 3.14Å; E176-T178 VanDerWaalsContact C-N 3.25Å; E176-T178 PolarHBondContact O-N 2.68Å; T178-F180 WeakPolarHBondContact O-CD1 3.48Å; T178-F180 WeakPolarHBondContact O-CE1 3.42Å
179R96.4Very high95.7Very high166 Ų16680.1 Ų80.163%0.62642%0.416SS*.PPolyproline II helixtrans-65.1136.9168.5-71.1-175.4168.3-156.4-6.5111.5E44 T47 I48E44-R179 VanDerWaalsContact CD-NH1 3.29Å; E44-R179 IonicContact OE1-NH1 2.99Å; E44-R179 PolarHBondContact OE1-NH1 3.08Å; E44-R179 WeakPolarHBondContact OE2-CD 3.5Å; E44-R179 IonicContact OE2-CZ 3.8Å; E44-R179 IonicContact OE2-NH1 2.77Å; E44-R179 PolarHBondContact OE2-NH1 3.21Å; T47-R179 WeakPolarHBondContact CA-O 3.43Å; T47-R179 HydrophobicContact CG2-CB 4.02Å; I48-R179 PolarHBondContact N-O 3.14Å
180F97.5Very high95.6Very high86 Ų8671.2 Ų71.238%0.37738%0.384SS..BIsolated β-bridgetrans-94.4156.1169-49.6-25.4000109I48 Y148 T175 T178I48-F180 HydrophobicContact CB-CD1 4.03Å; I48-F180 HydrophobicContact CG2-CD1 4.31Å; I48-F180 CarbonylContact O-C 3.58Å; I48-F180 WeakPolarHBondContact O-CA 3.41Å; Y148-F180 HydrophobicContact CD1-CD1 4.09Å; Y148-F180 HydrophobicContact CD1-CD2 4.19Å; Y148-F180 HydrophobicContact CD1-CE1 4.06Å; Y148-F180 HydrophobicContact CD1-CE2 4.17Å; Y148-F180 HydrophobicContact CD1-CG 4.17Å; Y148-F180 HydrophobicContact CD1-CZ 4.11Å; Y148-F180 HydrophobicContact CE1-CE1 4.16Å; Y148-F180 HydrophobicContact CE1-CE2 4.22Å; Y148-F180 AromaticContact CE1-CZ 3.95Å; Y148-F180 HydrophobicContact CE1-CZ 3.95Å; T175-F180 HydrophobicContact CG2-CE1 4.35Å; T178-F180 WeakPolarHBondContact O-CD1 3.48Å; T178-F180 WeakPolarHBondContact O-CE1 3.42Å
181A97.6Very high95.5Very high3 Ų375.1 Ų75.13%0.02541%0.41CS..PPolyproline II helixtrans-71.7132171.400000110F43 I48 L49 W185 F186F43-A181 HydrophobicContact CD1-CB 3.79Å; F43-A181 HydrophobicContact CE1-CB 3.62Å; I48-A181 PolarHBondContact O-N 3.21Å; L49-A181 HydrophobicContact CB-CB 4.24Å; A181-W185 HydrophobicContact CB-CE3 3.8Å; A181-W185 HydrophobicContact CB-CZ3 4.01Å; A181-F186 HydrophobicContact CB-CE2 3.76Å; A181-F186 HydrophobicContact CB-CZ 3.8Å
182D97.5Very high95.3Very high75 Ų7578.6 Ų78.640%0.40143%0.428SS..PPolyproline II helixtrans-67.2138.5-177.9-169.6-80.8000111.1S184 W185 F186D182-S184 PolarHBondContact O-N 2.66Å; D182-S184 VanDerWaalsContact O-N 3.12Å; D182-S184 VanDerWaalsContact OD1-CB 3.24Å; D182-S184 WeakPolarHBondContact OD1-CB 3.27Å; D182-S184 PolarHBondContact OD1-N 2.78Å; D182-S184 PolarHBondContact OD1-OG 3.1Å; D182-W185 HydrophobicContact CB-CD2 3.83Å; D182-W185 HydrophobicContact CB-CE3 4.44Å; D182-W185 HydrophobicContact CB-CG 4.05Å; D182-W185 HydrophobicContact CB-CZ2 4.04Å; D182-W185 WeakPolarHBondContact O-CB 3.44Å; D182-W185 PolarHBondContact O-N 2.75Å; D182-F186 VanDerWaalsContact O-CD2 3.32Å; D182-F186 WeakPolarHBondContact O-CD2 3.29Å; D182-F186 WeakPolarHBondContact O-CE2 3.42Å
183P97.1Very high95.3Very high87 Ų8772 Ų7257%0.56540%0.402SS*.G310 helixtrans-54.1-29.4177.7-27.836.1000114.9P147 W185 F186P147-P183 HydrophobicContact CB-CG 4.33Å; P147-P183 HydrophobicContact CG-CB 4.16Å; P147-P183 HydrophobicContact CG-CG 4.43Å; P183-W185 PolarHBondContact O-N 3.36Å; P183-F186 PolarHBondContact O-N 3.44Å
184S96.9Very high95.1Very high85 Ų8572.4 Ų72.459%0.59441%0.406SS*.G310 helixtrans-69.8-15.2177.464.80000114.4D182D182-S184 PolarHBondContact O-N 2.66Å; D182-S184 VanDerWaalsContact O-N 3.12Å; D182-S184 VanDerWaalsContact OD1-CB 3.24Å; D182-S184 WeakPolarHBondContact OD1-CB 3.27Å; D182-S184 PolarHBondContact OD1-N 2.78Å; D182-S184 PolarHBondContact OD1-OG 3.1Å
185W97.6Very high95.1Very high45 Ų4575.5 Ų75.517%0.1742%0.421CS..G310 helixtrans-81.1-16.7178.3-56.5-10.3000112.9Y42 F43 E44 T47 A181 D182 P183 I187Y42-W185 VanDerWaalsContact CB-CD1 3.48Å; F43-W185 HydrophobicContact CB-CE3 4.33Å; F43-W185 AromaticContact CD1-CE3 3.91Å; F43-W185 HydrophobicContact CD1-CE3 3.91Å; F43-W185 HydrophobicContact CD2-CB 4.09Å; F43-W185 HydrophobicContact CE1-CB 4.41Å; F43-W185 HydrophobicContact CE1-CE3 4.41Å; F43-W185 HydrophobicContact CE2-CB 3.8Å; F43-W185 WeakPolarHBondContact CE2-O 3.29Å; F43-W185 HydrophobicContact CG-CE3 4.07Å; F43-W185 HydrophobicContact CZ-CB 3.96Å; E44-W185 HydrophobicContact CB-CH2 4.29Å; E44-W185 HydrophobicContact CG-CH2 3.96Å; T47-W185 HydrophobicContact CG2-CH2 4.36Å; T47-W185 HydrophobicContact CG2-CZ3 4.06Å; A181-W185 HydrophobicContact CB-CE3 3.8Å; A181-W185 HydrophobicContact CB-CZ3 4.01Å; D182-W185 HydrophobicContact CB-CD2 3.83Å; D182-W185 HydrophobicContact CB-CE3 4.44Å; D182-W185 HydrophobicContact CB-CG 4.05Å; D182-W185 HydrophobicContact CB-CZ2 4.04Å; D182-W185 WeakPolarHBondContact O-CB 3.44Å; D182-W185 PolarHBondContact O-N 2.75Å; P183-W185 PolarHBondContact O-N 3.36Å; W185-I187 PolarHBondContact O-N 3.36Å
186F96.8Very high95.2Very high37 Ų3775.3 Ų75.316%0.16242%0.419CS..SBendtrans-86.2110.4-178.8-64.6-97.1000109.8F43 L49 I145 R146 P147 A181 D182 P183F43-F186 HydrophobicContact CE1-CD1 4.42Å; F43-F186 HydrophobicContact CE1-CD2 4.46Å; F43-F186 AromaticContact CE1-CE1 3.85Å; F43-F186 HydrophobicContact CE1-CE1 3.85Å; F43-F186 AromaticContact CE1-CE2 3.92Å; F43-F186 HydrophobicContact CE1-CE2 3.92Å; F43-F186 AromaticContact CE1-CZ 3.59Å; F43-F186 HydrophobicContact CE1-CZ 3.59Å; F43-F186 AromaticContact CZ-CD1 3.86Å; F43-F186 HydrophobicContact CZ-CD1 3.86Å; F43-F186 HydrophobicContact CZ-CD2 4.09Å; F43-F186 AromaticContact CZ-CE1 3.75Å; F43-F186 HydrophobicContact CZ-CE1 3.75Å; F43-F186 HydrophobicContact CZ-CE2 4.01Å; F43-F186 HydrophobicContact CZ-CG 4.04Å; F43-F186 AromaticContact CZ-CZ 3.84Å; F43-F186 HydrophobicContact CZ-CZ 3.84Å; L49-F186 HydrophobicContact CB-CE1 4.36Å; L49-F186 HydrophobicContact CB-CZ 3.88Å; L49-F186 HydrophobicContact CD2-CE1 4.34Å; L49-F186 HydrophobicContact CD2-CZ 4.26Å; I145-F186 HydrophobicContact CB-CE1 4.27Å; I145-F186 HydrophobicContact CD1-CD1 4.25Å; I145-F186 HydrophobicContact CD1-CE1 4.26Å; I145-F186 HydrophobicContact CG1-CD1 4.16Å; I145-F186 HydrophobicContact CG1-CE1 4.23Å; R146-F186 VanDerWaalsContact C-CZ 3.41Å; R146-F186 VanDerWaalsContact CA-CE1 3.4Å; R146-F186 WeakPolarHBondContact O-CE1 3.47Å; P147-F186 HydrophobicContact CB-CD2 4.44Å; P147-F186 HydrophobicContact CB-CE2 4.06Å; P147-F186 HydrophobicContact CB-CZ 4.45Å; P147-F186 HydrophobicContact CG-CD2 3.62Å; P147-F186 HydrophobicContact CG-CE2 3.73Å; P147-F186 HydrophobicContact CG-CG 4.06Å; P147-F186 HydrophobicContact CG-CZ 4.26Å; A181-F186 HydrophobicContact CB-CE2 3.76Å; A181-F186 HydrophobicContact CB-CZ 3.8Å; D182-F186 VanDerWaalsContact O-CD2 3.32Å; D182-F186 WeakPolarHBondContact O-CD2 3.29Å; D182-F186 WeakPolarHBondContact O-CE2 3.42Å; P183-F186 PolarHBondContact O-N 3.44Å
187I95.6Very high95.3Very high47 Ų4772.7 Ų72.724%0.24140%0.403CS..PPolyproline II helixtrans-90.5146.3-171.5-68.4169.2000110.2P39 P40 V140 D141 W185 Q189P39-I187 HydrophobicContact CB-CD1 3.72Å; P39-I187 HydrophobicContact CB-CG2 4.13Å; P40-I187 HydrophobicContact CG-CD1 4.13Å; P40-I187 WeakPolarHBondContact O-CD1 3.45Å; V140-I187 HydrophobicContact CG2-CD1 4.11Å; V140-I187 PolarHBondContact O-N 3.28Å; V140-I187 VanDerWaalsContact O-N 3.09Å; D141-I187 WeakPolarHBondContact CA-O 3.4Å; D141-I187 HydrophobicContact CB-CB 4.08Å; D141-I187 HydrophobicContact CB-CG2 3.91Å; W185-I187 PolarHBondContact O-N 3.36Å; I187-Q189 PolarHBondContact O-N 3.32Å
188S93.6Very high95.5Very high101 Ų10168.7 Ų68.771%0.70636%0.359SS*.PPolyproline II helixtrans-62.6129.8177.754.80000111.3
189Q92.8Very high95.7Very high65 Ų6572.3 Ų72.330%0.30437%0.374SS..PPolyproline II helixtrans-56139177.6-168.5-173.164.300111.6K33 D141 D143 I187K33-Q189 VanDerWaalsContact CE-OE1 3.29Å; D141-Q189 WeakPolarHBondContact O-CA 3.22Å; D143-Q189 PolarHBondContact OD1-NE2 3.3Å; D143-Q189 PolarHBondContact OD2-NE2 3.4Å; I187-Q189 PolarHBondContact O-N 3.32Å
190P94.3Very high95.7Very high7 Ų767 Ų675%0.04536%0.36CS..PPolyproline II helixtrans-63.1154.1172.425-34.2000112K33 D141K33-P190 WeakPolarHBondContact CE-O 3.49Å; K33-P190 HydrophobicContact CG-CG 4.35Å; D141-P190 WeakPolarHBondContact OD2-CD 3.32Å
191P92.6Very high95.7Very high112 Ų11268 Ų6873%0.72737%0.369SS*.PPolyproline II helixtrans-61.3150-179.127.1-35.6000112.3
192D91.5Very high95.7Very high97 Ų9768 Ų6852%0.51937%0.369SS..PPolyproline II helixtrans-67.5132.5170.4-71.8-59000110.8K33K33-D192 VanDerWaalsContact CD-OD1 3.26Å; K33-D192 WeakPolarHBondContact CD-OD1 3.44Å; K33-D192 WeakPolarHBondContact CE-OD1 3.09Å; K33-D192 IonicContact NZ-OD1 2.88Å; K33-D192 PolarHBondContact NZ-OD1 3.15Å; K33-D192 IonicContact NZ-OD2 3.27Å
193P94.4Very high95.8Very high17 Ų1765.5 Ų65.511%0.1135%0.354CS..PPolyproline II helixtrans-64.2140.4165.324.3-29.6000110.5K33 D195 F245 D246K33-P193 HydrophobicContact CB-CG 4.47Å; P193-D195 PolarHBondContact O-N 3.39Å; P193-F245 HydrophobicContact CB-CD2 4.33Å; P193-F245 HydrophobicContact CB-CE2 4.05Å; P193-F245 HydrophobicContact CG-CD2 3.8Å; P193-F245 HydrophobicContact CG-CE2 3.68Å; P193-F245 WeakPolarHBondContact O-CE2 3.33Å; P193-D246 HydrophobicContact CG-CB 4.41Å
194E92.7Very high95.8Very high174 Ų17461.3 Ų61.381%0.81333%0.327SS*.SBendtrans-64.6-38.7-169.7-60.2-173.1147.900113.8Y197E194-Y197 HydrophobicContact CB-CE2 4.4Å; E194-Y197 PolarHBondContact OE2-OH 2.88Å
195D94.7Very high95.9Very high79 Ų7957.3 Ų57.342%0.42230%0.299SS..SBendtrans-154.3178.5172.2-156.6-4.1000110.3P193 Y197 H226 F245P193-D195 PolarHBondContact O-N 3.39Å; D195-Y197 VanDerWaalsContact O-CD2 3.29Å; D195-Y197 WeakPolarHBondContact O-CD2 3.33Å; D195-Y197 PolarHBondContact O-N 3.32Å; D195-H226 IonicContact OD1-CE1 2.66Å; D195-H226 IonicContact OD1-ND1 2.78Å; D195-H226 PolarHBondContact OD1-ND1 2.72Å; D195-F245 WeakPolarHBondContact O-CD2 3.15Å; D195-F245 VanDerWaalsContact O-CE2 3.22Å; D195-F245 WeakPolarHBondContact O-CE2 3.42Å
196N96.1Very high95.9Very high22 Ų2255.1 Ų55.112%0.11829%0.291CS..  trans-75.493.1-177.4-173.25000112.6F198 G225 I228 F245N196-F198 WeakPolarHBondContact OD1-CB 3.29Å; N196-F198 WeakPolarHBondContact OD1-CD2 3.3Å; N196-F198 PolarHBondContact OD1-N 3.23Å; N196-G225 PolarHBondContact ND2-O 2.81Å; N196-I228 VanDerWaalsContact ND2-CG2 3.33Å; N196-I228 WeakPolarHBondContact ND2-CG2 3.23Å; N196-F245 HydrophobicContact CB-CB 3.9Å; N196-F245 HydrophobicContact CB-CD1 4.01Å; N196-F245 HydrophobicContact CB-CD2 4.13Å; N196-F245 HydrophobicContact CB-CG 3.76Å; N196-F245 WeakPolarHBondContact OD1-CB 3.12Å
197Y97.5Very high96Very high95 Ų9553.4 Ų53.437%0.37328%0.283SS..  trans-83.9-2.2178.4-60.8-57.6000115.4E30 C31 E194 D195E30-Y197 HydrophobicContact CG-CD2 4.43Å; C31-Y197 VanDerWaalsContact SG-C 3.57Å; E194-Y197 HydrophobicContact CB-CE2 4.4Å; E194-Y197 PolarHBondContact OE2-OH 2.88Å; D195-Y197 VanDerWaalsContact O-CD2 3.29Å; D195-Y197 WeakPolarHBondContact O-CD2 3.33Å; D195-Y197 PolarHBondContact O-N 3.32Å
198F98Very high96Very high8 Ų851.8 Ų51.84%0.03528%0.275CS..  trans-65.8144178.3-74-83000112.5A27 C31 F32 N196 V220 I228 F245 L250A27-F198 HydrophobicContact CB-CD1 4Å; A27-F198 HydrophobicContact CB-CE1 3.74Å; C31-F198 HydrophobicContact CB-CD1 3.93Å; C31-F198 HydrophobicContact CB-CD2 3.8Å; C31-F198 HydrophobicContact CB-CE1 3.77Å; C31-F198 HydrophobicContact CB-CE2 3.65Å; C31-F198 HydrophobicContact CB-CG 3.95Å; C31-F198 HydrophobicContact CB-CZ 3.63Å; C31-F198 WeakPolarHBondContact O-CE2 3.32Å; F32-F198 HydrophobicContact CD1-CE1 4.48Å; F32-F198 AromaticContact CD1-CZ 3.84Å; F32-F198 HydrophobicContact CD1-CZ 3.84Å; F32-F198 HydrophobicContact CD2-CZ 4.42Å; F32-F198 AromaticContact CE1-CE1 3.85Å; F32-F198 HydrophobicContact CE1-CE1 3.85Å; F32-F198 AromaticContact CE1-CZ 3.61Å; F32-F198 HydrophobicContact CE1-CZ 3.61Å; F32-F198 HydrophobicContact CE2-CE1 4.08Å; F32-F198 HydrophobicContact CE2-CZ 4.22Å; F32-F198 HydrophobicContact CG-CZ 4.24Å; F32-F198 AromaticContact CZ-CE1 3.63Å; F32-F198 HydrophobicContact CZ-CE1 3.63Å; F32-F198 AromaticContact CZ-CZ 3.82Å; F32-F198 HydrophobicContact CZ-CZ 3.82Å; N196-F198 WeakPolarHBondContact OD1-CB 3.29Å; N196-F198 WeakPolarHBondContact OD1-CD2 3.3Å; N196-F198 PolarHBondContact OD1-N 3.23Å; F198-V220 HydrophobicContact CB-CG2 4.43Å; F198-V220 HydrophobicContact CD1-CG2 3.91Å; F198-V220 HydrophobicContact CG-CG2 4.46Å; F198-I228 HydrophobicContact CB-CD1 4.46Å; F198-I228 HydrophobicContact CB-CG2 3.99Å; F198-I228 HydrophobicContact CD1-CD1 4.17Å; F198-I228 HydrophobicContact CD2-CD1 3.7Å; F198-I228 HydrophobicContact CD2-CG2 4.36Å; F198-I228 HydrophobicContact CE1-CD1 4.29Å; F198-I228 HydrophobicContact CE2-CD1 3.83Å; F198-I228 HydrophobicContact CG-CD1 3.87Å; F198-I228 HydrophobicContact CG-CG2 4.4Å; F198-I228 HydrophobicContact CZ-CD1 4.13Å; F198-F245 HydrophobicContact CD2-CB 4.02Å; F198-F245 HydrophobicContact CE2-CB 4.15Å; F198-L250 HydrophobicContact CZ-CD1 4.49Å
199Q97.7Very high96Very high110 Ų11051.8 Ų51.851%0.51426%0.26SS..  trans-116.3152.4175.4-61.7-175.39.200111.3N201 D202 V220Q199-N201 PolarHBondContact O-N 2.62Å; Q199-D202 PolarHBondContact N-OD2 3.18Å; Q199-D202 VanDerWaalsContact O-CB 3.23Å; Q199-D202 WeakPolarHBondContact O-CB 3.36Å; Q199-D202 PolarHBondContact O-N 3.44Å; Q199-V220 WeakPolarHBondContact O-CB 3.4Å
200V97.5Very high95.9Very high55 Ų5554.8 Ų54.833%0.33327%0.268SS..THydrogen-bonded Turntrans-60.7138.8174.1-176.40000110.1R25 D202 V220 V223R25-V200 PolarHBondContact NH2-O 3.25Å; V200-D202 VanDerWaalsContact C-N 3.3Å; V200-V220 CarbonylContact C-O 3.54Å; V200-V220 WeakPolarHBondContact CA-O 3.25Å; V200-V223 HydrophobicContact CG2-CG2 4Å
201N96.9Very high95.8Very high106 Ų10657.9 Ų57.957%0.56728%0.284SS*.THydrogen-bonded Turntrans68.711.7-170.2-46-64.8000116Q199 V220Q199-N201 PolarHBondContact O-N 2.62Å; N201-V220 PolarHBondContact N-O 3.24Å
202D98.3Very high95.8Very high5 Ų554.4 Ų54.43%0.02726%0.261CS..EExtended strand (participates in β ladder)trans-62.7135.6164.5-79.6-8.5000110.8R25 A27 Q199 V200 S219 V220R25-D202 IonicContact CZ-OD1 3.06Å; R25-D202 IonicContact NE-OD1 3.26Å; R25-D202 PolarHBondContact NE-OD1 3.1Å; R25-D202 IonicContact NH2-OD1 2.75Å; R25-D202 PolarHBondContact NH2-OD1 2.71Å; R25-D202 CarbonylContact O-C 3.55Å; R25-D202 WeakPolarHBondContact O-CA 3.43Å; A27-D202 HydrophobicContact CB-CB 3.98Å; Q199-D202 PolarHBondContact N-OD2 3.18Å; Q199-D202 VanDerWaalsContact O-CB 3.23Å; Q199-D202 WeakPolarHBondContact O-CB 3.36Å; Q199-D202 PolarHBondContact O-N 3.44Å; V200-D202 VanDerWaalsContact C-N 3.3Å; D202-S219 CarbonylContact O-C 3.56Å; D202-S219 WeakPolarHBondContact O-CA 3.23Å; D202-V220 HydrophobicContact CB-CB 4.33Å; D202-V220 HydrophobicContact CB-CG2 3.96Å; D202-V220 PolarHBondContact O-N 3.12Å
203K98.5Very high95.9Very high21 Ų2153.2 Ų53.29%0.09125%0.252CS..EExtended strand (participates in β ladder)trans-92.2139.3174.2-63.6-62.6-169.2176.50111.1W15 L19 R25 A27 A218 S219 D233 V253W15-K203 HydrophobicContact CH2-CB 4.44Å; W15-K203 HydrophobicContact CZ3-CB 4.12Å; L19-K203 HydrophobicContact CD2-CB 3.99Å; L19-K203 HydrophobicContact CD2-CG 3.84Å; R25-K203 PolarHBondContact O-N 3.13Å; A27-K203 WeakPolarHBondContact CB-O 3.32Å; A27-K203 PolarHBondContact N-O 3.03Å; K203-A218 WeakPolarHBondContact CA-O 3.39Å; K203-S219 WeakPolarHBondContact CD-OG 3.43Å; K203-S219 PolarHBondContact NZ-OG 3.05Å; K203-D233 VanDerWaalsContact NZ-CG 3.26Å; K203-D233 IonicContact NZ-OD1 2.64Å; K203-D233 PolarHBondContact NZ-OD1 2.83Å; K203-D233 IonicContact NZ-OD2 2.66Å; K203-D233 PolarHBondContact NZ-OD2 3.26Å; K203-V253 HydrophobicContact CB-CG2 4.21Å; K203-V253 WeakPolarHBondContact O-CG2 3.26Å
204L98.6Very high96Very high0 Ų054.5 Ų54.50%026%0.258CS..EExtended strand (participates in β ladder)trans-151175.3179.167.4147.5000111.9W15 F32 A206 A218 V220 I230 L250W15-L204 WeakPolarHBondContact CH2-O 3.2Å; W15-L204 WeakPolarHBondContact CZ2-O 3.45Å; F32-L204 HydrophobicContact CE1-CB 4.13Å; F32-L204 HydrophobicContact CE1-CD1 4.25Å; F32-L204 HydrophobicContact CZ-CB 3.83Å; L204-A206 HydrophobicContact CD1-CB 4.25Å; L204-A218 HydrophobicContact CG-CB 4.37Å; L204-A218 PolarHBondContact N-O 3.27Å; L204-A218 PolarHBondContact O-N 3.04Å; L204-V220 HydrophobicContact CD2-CG2 3.67Å; L204-I230 HydrophobicContact CD1-CD1 4.05Å; L204-I230 HydrophobicContact CD2-CD1 4.43Å; L204-L250 HydrophobicContact CD1-CB 4.16Å; L204-L250 HydrophobicContact CD1-CD2 3.83Å; L204-L250 HydrophobicContact CD1-CG 4.48Å
205E98.4Very high96.2Very high0 Ų046.2 Ų46.20%022%0.219CC..EExtended strand (participates in β ladder)trans-103.2131.3167.3-67.3175.8-173.300108.7W15 I215 F251 G254 W255 C256 L263W15-E205 HydrophobicContact CZ2-CG 3.62Å; W15-E205 PolarHBondContact NE1-OE1 2.81Å; E205-I215 HydrophobicContact CB-CG2 3.87Å; E205-F251 HydrophobicContact CB-CB 4.04Å; E205-F251 PolarHBondContact N-O 3.13Å; E205-F251 PolarHBondContact O-N 2.81Å; E205-G254 WeakPolarHBondContact OE1-CA 3.19Å; E205-G254 PolarHBondContact OE1-N 3.27Å; E205-W255 PolarHBondContact OE1-N 2.69Å; E205-W255 PolarHBondContact OE2-N 3.03Å; E205-C256 VanDerWaalsContact OE2-CB 3.26Å; E205-C256 WeakPolarHBondContact OE2-CB 3.22Å; E205-C256 PolarHBondContact OE2-N 2.87Å; E205-C256 PolarHBondContact OE2-SG 3.15Å; E205-L263 HydrophobicContact CB-CD1 4.27Å; E205-L263 HydrophobicContact CG-CD1 3.75Å; E205-L263 HydrophobicContact CG-CD2 4.29Å
206A98.5Very high96.3Very high0 Ų042.9 Ų42.90%020%0.202CC..EExtended strand (participates in β ladder)trans-137.5145.6-177.300000112.7L204 I215 C216 A218 I230 F232 L250L204-A206 HydrophobicContact CD1-CB 4.25Å; A206-I215 WeakPolarHBondContact O-CA 3.21Å; A206-C216 PolarHBondContact N-O 3.08Å; A206-C216 PolarHBondContact O-N 3.05Å; A206-A218 HydrophobicContact CB-CB 4Å; A206-I230 HydrophobicContact CB-CG2 3.74Å; A206-F232 HydrophobicContact CB-CE1 4.06Å; A206-F232 HydrophobicContact CB-CZ 4.24Å; A206-L250 HydrophobicContact CB-CD2 4.2Å
207V97.8Very high96.4Very high1 Ų142 Ų421%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-68.6132.8174.3-178.50000110.3R209 T212 L214 I215 Y241 E249 F251V207-R209 PolarHBondContact O-N 2.86Å; V207-T212 HydrophobicContact CG1-CG2 4.27Å; V207-L214 WeakPolarHBondContact CA-O 3.33Å; V207-I215 HydrophobicContact CG2-CG1 4.16Å; V207-Y241 VanDerWaalsContact O-CE1 3.31Å; V207-Y241 WeakPolarHBondContact O-CE1 3.23Å; V207-Y241 PolarHBondContact O-OH 2.66Å; V207-E249 HydrophobicContact CB-CB 4.1Å; V207-E249 HydrophobicContact CB-CG 4.46Å; V207-E249 HydrophobicContact CG2-CB 3.95Å; V207-E249 HydrophobicContact CG2-CG 4.34Å; V207-E249 PolarHBondContact N-O 3.01Å; V207-F251 HydrophobicContact CG2-CE2 3.88Å
208D96.3Very high96.5Very high13 Ų1337.4 Ų37.47%0.0718%0.18CC..  trans-72.111516517418.5000109.7R210 N211 T212 L214D208-R210 PolarHBondContact O-N 2.78Å; D208-R210 WeakPolarHBondContact OD1-CB 3.35Å; D208-R210 PolarHBondContact OD1-N 2.76Å; D208-N211 CarbonylContact O-C 3.59Å; D208-N211 PolarHBondContact O-N 3.4Å; D208-N211 VanDerWaalsContact O-O 3.13Å; D208-N211 PolarHBondContact OD2-N 2.93Å; D208-N211 VanDerWaalsContact OD2-N 3.11Å; D208-T212 VanDerWaalsContact O-CA 3.23Å; D208-T212 WeakPolarHBondContact O-CA 3.36Å; D208-T212 PolarHBondContact O-N 2.94Å; D208-T212 VanDerWaalsContact O-N 3.11Å; D208-L214 HydrophobicContact CB-CB 4.3Å; D208-L214 PolarHBondContact N-O 3.47Å; D208-L214 VanDerWaalsContact N-O 3.09Å
209R92.7Very high96.5Very high101 Ų10137.9 Ų37.938%0.38118%0.184SC..SBendtrans-70.1-13.8178.5-75.1179.1173.7165.9-1.5113.7V207 Y241 W242 E249V207-R209 PolarHBondContact O-N 2.86Å; R209-Y241 HydrophobicContact CB-CD1 4.22Å; R209-Y241 HydrophobicContact CB-CE1 4.13Å; R209-Y241 HydrophobicContact CG-CD1 4.05Å; R209-Y241 HydrophobicContact CG-CE1 3.69Å; R209-Y241 HydrophobicContact CG-CE2 4.47Å; R209-Y241 VanDerWaalsContact CZ-CD2 3.45Å; R209-Y241 VanDerWaalsContact CZ-CE2 3.5Å; R209-W242 PolarHBondContact NH1-O 2.9Å; R209-E249 IonicContact CZ-OE2 3.22Å; R209-E249 IonicContact NE-OE1 2.69Å; R209-E249 PolarHBondContact NE-OE1 3.41Å; R209-E249 IonicContact NE-OE2 3.14Å; R209-E249 PolarHBondContact NE-OE2 3.01Å; R209-E249 IonicContact NH2-OE2 3.45Å; R209-E249 PolarHBondContact NH2-OE2 2.88Å
210R90.8Very high96.5Very high128 Ų12832.7 Ų32.748%0.48316%0.16SC..SBendtrans-83.4-30.8171.7-65.9164.6161.3-115.3-4.8111.8D208 A238 F239 L789D208-R210 PolarHBondContact O-N 2.78Å; D208-R210 WeakPolarHBondContact OD1-CB 3.35Å; D208-R210 PolarHBondContact OD1-N 2.76Å; R210-A238 PolarHBondContact NE-O 3.06Å; R210-A238 PolarHBondContact NH2-O 2.75Å; R210-F239 VanDerWaalsContact CD-CD1 3.42Å; R210-L789 PolarHBondContact NH2-O 2.64Å; R210-L789 PolarHBondContact NH2-OXT 2.66Å
211N91.4Very high96.5Very high71 Ų7131.5 Ų31.538%0.3816%0.159SC..SBendtrans-138.285.2173.4-175.41.3000110.9D208 Q213 L214D208-N211 CarbonylContact O-C 3.59Å; D208-N211 PolarHBondContact O-N 3.4Å; D208-N211 VanDerWaalsContact O-O 3.13Å; D208-N211 PolarHBondContact OD2-N 2.93Å; D208-N211 VanDerWaalsContact OD2-N 3.11Å; N211-Q213 PolarHBondContact O-N 2.63Å; N211-L214 HydrophobicContact CB-CD1 4.12Å; N211-L214 HydrophobicContact CB-CG 4.2Å; N211-L214 PolarHBondContact O-N 2.81Å
212T93.3Very high96.5Very high39 Ų3927.8 Ų27.824%0.23914%0.143CC..THydrogen-bonded Turntrans-66.1-6.6-167.352.40000115.8R122 V207 D208R122-T212 PolarHBondContact NH1-O 3.13Å; R122-T212 PolarHBondContact NH2-O 2.72Å; V207-T212 HydrophobicContact CG1-CG2 4.27Å; D208-T212 VanDerWaalsContact O-CA 3.23Å; D208-T212 WeakPolarHBondContact O-CA 3.36Å; D208-T212 PolarHBondContact O-N 2.94Å; D208-T212 VanDerWaalsContact O-N 3.11Å
213Q93.7Very high96.4Very high72 Ų7230.4 Ų30.434%0.33616%0.159SC..THydrogen-bonded Turntrans-72.7-29.9168-173.5170.419.300112.1E117 W137 N211 Y261E117-Q213 PolarHBondContact OE1-NE2 3.11Å; E117-Q213 VanDerWaalsContact OE1-NE2 3.13Å; W137-Q213 HydrophobicContact CZ2-CB 4.2Å; W137-Q213 HydrophobicContact CZ2-CG 3.75Å; N211-Q213 PolarHBondContact O-N 2.63Å; Q213-Y261 PolarHBondContact O-OH 3.2Å
214L95.7Very high96.1Very high44 Ų4434.5 Ų34.523%0.2318%0.182CC..  trans-82.2138-178.8-53.8-177000111.2V207 D208 N211 Q264V207-L214 WeakPolarHBondContact CA-O 3.33Å; D208-L214 HydrophobicContact CB-CB 4.3Å; D208-L214 PolarHBondContact N-O 3.47Å; D208-L214 VanDerWaalsContact N-O 3.09Å; N211-L214 HydrophobicContact CB-CD1 4.12Å; N211-L214 HydrophobicContact CB-CG 4.2Å; N211-L214 PolarHBondContact O-N 2.81Å; L214-Q264 HydrophobicContact CB-CG 4.21Å; L214-Q264 HydrophobicContact CD1-CG 4.48Å; L214-Q264 HydrophobicContact CD2-CG 4.07Å; L214-Q264 HydrophobicContact CG-CG 4.48Å
215I97.7Very high95.8Very high0 Ų037 Ų370%021%0.208CC..EExtended strand (participates in β ladder)trans-117.5134.8161.1-59.3176.6000106.7E205 A206 V207 F251 Y261 L263 Q264E205-I215 HydrophobicContact CB-CG2 3.87Å; A206-I215 WeakPolarHBondContact O-CA 3.21Å; V207-I215 HydrophobicContact CG2-CG1 4.16Å; I215-F251 HydrophobicContact CD1-CD2 4.07Å; I215-F251 HydrophobicContact CD1-CE2 3.62Å; I215-F251 HydrophobicContact CD1-CZ 4.24Å; I215-F251 HydrophobicContact CG1-CE2 4.36Å; I215-F251 HydrophobicContact CG2-CD2 4.3Å; I215-Y261 HydrophobicContact CB-CE1 4.36Å; I215-Y261 HydrophobicContact CD1-CD1 3.76Å; I215-Y261 HydrophobicContact CD1-CE1 3.68Å; I215-Y261 HydrophobicContact CD1-CG 4.47Å; I215-Y261 HydrophobicContact CG1-CD1 4.26Å; I215-Y261 HydrophobicContact CG1-CE1 3.84Å; I215-L263 HydrophobicContact CB-CD1 4.47Å; I215-L263 HydrophobicContact CG2-CD1 3.97Å; I215-Q264 PolarHBondContact O-N 2.78Å
216C97.6Very high95.6Very high10 Ų1042.2 Ų42.27%0.06823%0.232CC..EExtended strand (participates in β ladder)trans-132.6149.4-170.1-59.80000111.2A206 A218 F232 Q264A206-C216 PolarHBondContact N-O 3.08Å; A206-C216 PolarHBondContact O-N 3.05Å; C216-A218 PolarHBondContact O-N 2.8Å; C216-F232 HydrophobicContact CB-CD1 3.64Å; C216-F232 HydrophobicContact CB-CE1 3.81Å; C216-Q264 HydrophobicContact CB-CB 4.49Å
217P97.9Very high95.4Very high2 Ų246.3 Ų46.31%0.01325%0.251CS..EExtended strand (participates in β ladder)trans-55.2130164-29.538.1000111.8F13 W15 D233 L263 Q264 P266F13-P217 HydrophobicContact CE1-CG 3.8Å; F13-P217 HydrophobicContact CE2-CG 4.48Å; F13-P217 HydrophobicContact CZ-CB 4.4Å; F13-P217 HydrophobicContact CZ-CG 3.73Å; W15-P217 HydrophobicContact CH2-CB 3.59Å; W15-P217 HydrophobicContact CH2-CG 4.2Å; W15-P217 HydrophobicContact CZ2-CB 3.86Å; W15-P217 HydrophobicContact CZ2-CG 4.01Å; W15-P217 HydrophobicContact CZ3-CB 4.34Å; P217-D233 HydrophobicContact CB-CB 4.39Å; P217-D233 PolarHBondContact O-N 3.11Å; P217-D233 VanDerWaalsContact O-N 3.11Å; P217-L263 HydrophobicContact CG-CD2 4.42Å; P217-L263 HydrophobicContact CG-CG 4.47Å; P217-Q264 WeakPolarHBondContact CD-O 3.14Å; P217-Q264 WeakPolarHBondContact CG-O 3.33Å; P217-P266 HydrophobicContact CB-CG 4.08Å; P217-P266 HydrophobicContact CG-CG 4.06Å
218A98.4Very high95.4Very high0 Ų046.2 Ų46.20%025%0.25CS..EExtended strand (participates in β ladder)trans-143161.5-177.700000112.1K203 L204 A206 C216 I230 N231 F232K203-A218 WeakPolarHBondContact CA-O 3.39Å; L204-A218 HydrophobicContact CG-CB 4.37Å; L204-A218 PolarHBondContact N-O 3.27Å; L204-A218 PolarHBondContact O-N 3.04Å; A206-A218 HydrophobicContact CB-CB 4Å; C216-A218 PolarHBondContact O-N 2.8Å; A218-I230 HydrophobicContact CB-CG2 3.76Å; A218-N231 CarbonylContact C-O 3.19Å; A218-N231 WeakPolarHBondContact CA-O 3.31Å; A218-N231 WeakPolarHBondContact CB-O 3.42Å; A218-F232 HydrophobicContact CB-CD1 4.16Å; A218-F232 HydrophobicContact CB-CE1 4.31Å
219S98.2Very high95.5Very high18 Ų1847.4 Ų47.413%0.12626%0.256CS..EExtended strand (participates in β ladder)trans-118.9147.9175.9-60.40000111.1D202 K203 G221 N231 D233D202-S219 CarbonylContact O-C 3.56Å; D202-S219 WeakPolarHBondContact O-CA 3.23Å; K203-S219 WeakPolarHBondContact CD-OG 3.43Å; K203-S219 PolarHBondContact NZ-OG 3.05Å; S219-G221 PolarHBondContact O-N 2.87Å; S219-N231 PolarHBondContact N-O 3.45Å; S219-N231 PolarHBondContact O-N 3.09Å; S219-D233 PolarHBondContact N-OD1 3.4Å; S219-D233 PolarHBondContact OG-OD1 3.21Å
220V98.3Very high95.7Very high0 Ų042.6 Ų42.60%024%0.238CC..EExtended strand (participates in β ladder)trans-79.9100.5166179.90000109.4F198 Q199 V200 N201 D202 L204 V223 I228 L229F198-V220 HydrophobicContact CB-CG2 4.43Å; F198-V220 HydrophobicContact CD1-CG2 3.91Å; F198-V220 HydrophobicContact CG-CG2 4.46Å; Q199-V220 WeakPolarHBondContact O-CB 3.4Å; V200-V220 CarbonylContact C-O 3.54Å; V200-V220 WeakPolarHBondContact CA-O 3.25Å; N201-V220 PolarHBondContact N-O 3.24Å; D202-V220 HydrophobicContact CB-CB 4.33Å; D202-V220 HydrophobicContact CB-CG2 3.96Å; D202-V220 PolarHBondContact O-N 3.12Å; L204-V220 HydrophobicContact CD2-CG2 3.67Å; V220-V223 HydrophobicContact CG1-CG2 3.71Å; V220-I228 HydrophobicContact CG1-CB 4.16Å; V220-I228 HydrophobicContact CG1-CG2 4.37Å; V220-I228 HydrophobicContact CG2-CD1 4.25Å; V220-L229 WeakPolarHBondContact CA-O 3.48Å
221G96.8Very high96Very high31 Ų3138.4 Ų38.432%0.3223%0.225SC..EExtended strand (participates in β ladder)trans-82.5-20.8179.100000114.7S219 L229 N231S219-G221 PolarHBondContact O-N 2.87Å; G221-L229 PolarHBondContact N-O 2.96Å; G221-N231 WeakPolarHBondContact CA-OD1 3.39Å; G221-N231 PolarHBondContact N-OD1 2.87Å
222A96.9Very high96.3Very high28 Ų2835.5 Ų35.523%0.23121%0.209CC..EExtended strand (participates in β ladder)trans-156.2154.7176.400000112I228 L229 W242A222-I228 CarbonylContact O-C 3.58Å; A222-I228 WeakPolarHBondContact O-CA 3.3Å; A222-L229 HydrophobicContact CB-CB 3.87Å; A222-L229 HydrophobicContact CB-CD2 4.27Å; A222-L229 PolarHBondContact O-N 2.82Å; A222-W242 HydrophobicContact CB-CH2 3.68Å; A222-W242 HydrophobicContact CB-CZ2 4.23Å; A222-W242 HydrophobicContact CB-CZ3 4.44Å
223V96.6Very high96.4Very high59 Ų5934.2 Ų34.236%0.35820%0.201SC..EExtended strand (participates in β ladder)trans-128.5132.9177-179.60000108.6V200 V220 I228V200-V223 HydrophobicContact CG2-CG2 4Å; V220-V223 HydrophobicContact CG1-CG2 3.71Å; V223-I228 HydrophobicContact CG1-CG2 4.36Å; V223-I228 HydrophobicContact CG2-CG2 4.14Å
224N91.9Very high96.4Very high108 Ų10831.4 Ų31.458%0.57819%0.192SC*.EExtended strand (participates in β ladder)trans-148.289.2-175.4-176.48.3000111H226 H227 W242N224-H226 PolarHBondContact O-N 3.36Å; N224-H227 CarbonylContact C-O 3.52Å; N224-H227 PolarHBondContact N-O 3.46Å; N224-H227 PolarHBondContact O-N 3.05Å; N224-W242 HydrophobicContact CB-CH2 3.79Å; N224-W242 HydrophobicContact CB-CZ3 3.64Å
225G93.1Very high96.3Very high53 Ų5335 Ų3555%0.54620%0.202SC..THydrogen-bonded Turntrans55.9-130-173.200000110.7N196 H227N196-G225 PolarHBondContact ND2-O 2.81Å; G225-H227 PolarHBondContact O-N 2.85Å; G225-H227 VanDerWaalsContact O-N 3.08Å
226H93.6Very high95.9Very high108 Ų10837.6 Ų37.650%0.522%0.22SC..THydrogen-bonded Turntrans-73.310.8177.3-50.4-53.5000115.1D195 N224 R244 F245D195-H226 IonicContact OD1-CE1 2.66Å; D195-H226 IonicContact OD1-ND1 2.78Å; D195-H226 PolarHBondContact OD1-ND1 2.72Å; N224-H226 PolarHBondContact O-N 3.36Å; H226-R244 VanDerWaalsContact O-CA 3.29Å; H226-R244 WeakPolarHBondContact O-CA 3.18Å; H226-F245 HydrophobicContact CB-CD1 3.91Å; H226-F245 HydrophobicContact CB-CE1 3.83Å; H226-F245 AromaticContact ND1-CE1 3.79Å; H226-F245 WeakPolarHBondContact O-CD1 3.47Å; H226-F245 PolarHBondContact O-N 2.92Å
227H95.7Very high95.5Very high86 Ų8639.7 Ų39.740%0.39824%0.243SC..EExtended strand (participates in β ladder)trans-122.7149.1178.4-62.283.8000112.6N224 G225 W242 A243 R244N224-H227 CarbonylContact C-O 3.52Å; N224-H227 PolarHBondContact N-O 3.46Å; N224-H227 PolarHBondContact O-N 3.05Å; G225-H227 PolarHBondContact O-N 2.85Å; G225-H227 VanDerWaalsContact O-N 3.08Å; H227-W242 HydrophobicContact CB-CE3 3.86Å; H227-W242 HydrophobicContact CB-CZ3 4.39Å; H227-A243 CarbonylContact C-O 3.52Å; H227-A243 WeakPolarHBondContact CA-O 3.35Å; H227-A243 WeakPolarHBondContact CB-O 3.26Å; H227-A243 PolarHBondContact CD2-O 2.95Å; H227-R244 WeakPolarHBondContact NE2-CG 2.78Å
228I96.6Very high95.2Very high0 Ų041.9 Ų41.90%026%0.262CS..EExtended strand (participates in β ladder)trans-129.7144.8174.862.2178.7000110.2N196 F198 V220 A222 V223 I230 W242 A243 L250N196-I228 VanDerWaalsContact ND2-CG2 3.33Å; N196-I228 WeakPolarHBondContact ND2-CG2 3.23Å; F198-I228 HydrophobicContact CB-CD1 4.46Å; F198-I228 HydrophobicContact CB-CG2 3.99Å; F198-I228 HydrophobicContact CD1-CD1 4.17Å; F198-I228 HydrophobicContact CD2-CD1 3.7Å; F198-I228 HydrophobicContact CD2-CG2 4.36Å; F198-I228 HydrophobicContact CE1-CD1 4.29Å; F198-I228 HydrophobicContact CE2-CD1 3.83Å; F198-I228 HydrophobicContact CG-CD1 3.87Å; F198-I228 HydrophobicContact CG-CG2 4.4Å; F198-I228 HydrophobicContact CZ-CD1 4.13Å; V220-I228 HydrophobicContact CG1-CB 4.16Å; V220-I228 HydrophobicContact CG1-CG2 4.37Å; V220-I228 HydrophobicContact CG2-CD1 4.25Å; A222-I228 CarbonylContact O-C 3.58Å; A222-I228 WeakPolarHBondContact O-CA 3.3Å; V223-I228 HydrophobicContact CG1-CG2 4.36Å; V223-I228 HydrophobicContact CG2-CG2 4.14Å; I228-I230 HydrophobicContact CD1-CD1 3.66Å; I228-I230 HydrophobicContact CG1-CD1 3.78Å; I228-W242 CarbonylContact O-C 3.59Å; I228-W242 WeakPolarHBondContact O-CA 3.2Å; I228-A243 HydrophobicContact CG1-CB 4.21Å; I228-A243 PolarHBondContact N-O 2.65Å; I228-A243 PolarHBondContact O-N 3.31Å; I228-L250 HydrophobicContact CD1-CD1 3.87Å
229L97.7Very high94.8Very high38 Ų3844.6 Ų44.620%0.19927%0.274CS..EExtended strand (participates in β ladder)trans-87.4119.9171.5-179.266.1000108.5V220 G221 A222 N231 W242V220-L229 WeakPolarHBondContact CA-O 3.48Å; G221-L229 PolarHBondContact N-O 2.96Å; A222-L229 HydrophobicContact CB-CB 3.87Å; A222-L229 HydrophobicContact CB-CD2 4.27Å; A222-L229 PolarHBondContact O-N 2.82Å; L229-N231 WeakPolarHBondContact CG-OD1 3.39Å; L229-N231 PolarHBondContact O-OD1 2.9Å; L229-W242 HydrophobicContact CB-CD2 4.13Å; L229-W242 HydrophobicContact CB-CE3 4.14Å; L229-W242 HydrophobicContact CB-CH2 4.07Å; L229-W242 HydrophobicContact CB-CZ2 4.03Å; L229-W242 HydrophobicContact CB-CZ3 4.12Å; L229-W242 HydrophobicContact CD1-CD2 4.36Å; L229-W242 HydrophobicContact CD1-CG 4.34Å
230I98.1Very high94.7Very high0 Ų045.6 Ų45.60%028%0.278CS..EExtended strand (participates in β ladder)trans-90.8122.9173.9-55.7-51000108.2L204 A206 A218 I228 F232 D240 Y241 A243 L250L204-I230 HydrophobicContact CD1-CD1 4.05Å; L204-I230 HydrophobicContact CD2-CD1 4.43Å; A206-I230 HydrophobicContact CB-CG2 3.74Å; A218-I230 HydrophobicContact CB-CG2 3.76Å; I228-I230 HydrophobicContact CD1-CD1 3.66Å; I228-I230 HydrophobicContact CG1-CD1 3.78Å; I230-F232 HydrophobicContact CG2-CE2 4.24Å; I230-F232 HydrophobicContact CG2-CZ 4.1Å; I230-D240 WeakPolarHBondContact O-CA 3.46Å; I230-D240 WeakPolarHBondContact O-CB 3.5Å; I230-Y241 HydrophobicContact CB-CD2 4.26Å; I230-Y241 HydrophobicContact CB-CE2 4.13Å; I230-Y241 HydrophobicContact CG1-CD2 4.18Å; I230-Y241 HydrophobicContact CG1-CE2 3.83Å; I230-Y241 PolarHBondContact N-O 2.68Å; I230-Y241 PolarHBondContact O-N 3.22Å; I230-Y241 VanDerWaalsContact O-N 3.13Å; I230-A243 HydrophobicContact CD1-CB 4.47Å; I230-A243 HydrophobicContact CG1-CB 3.95Å; I230-L250 HydrophobicContact CD1-CD2 3.72Å; I230-L250 HydrophobicContact CG1-CD2 3.86Å
231N97.4Very high94.6Very high39 Ų3946.6 Ų46.621%0.20928%0.282CS..EExtended strand (participates in β ladder)trans-114.9127.8176.5-59.383.3000109.9A218 S219 G221 L229 D240A218-N231 CarbonylContact C-O 3.19Å; A218-N231 WeakPolarHBondContact CA-O 3.31Å; A218-N231 WeakPolarHBondContact CB-O 3.42Å; S219-N231 PolarHBondContact N-O 3.45Å; S219-N231 PolarHBondContact O-N 3.09Å; G221-N231 WeakPolarHBondContact CA-OD1 3.39Å; G221-N231 PolarHBondContact N-OD1 2.87Å; L229-N231 WeakPolarHBondContact CG-OD1 3.39Å; L229-N231 PolarHBondContact O-OD1 2.9Å; N231-D240 WeakPolarHBondContact CA-OD1 3.5Å; N231-D240 PolarHBondContact ND2-OD2 3.15Å
232F97.1Very high94.6Very high10 Ų1050.6 Ų50.64%0.04429%0.287CS..EExtended strand (participates in β ladder)trans-84.4121.4-176.3-73.6-76.8000112.2A206 C216 A218 I230 G234 W235 F239 D240 Y241A206-F232 HydrophobicContact CB-CE1 4.06Å; A206-F232 HydrophobicContact CB-CZ 4.24Å; C216-F232 HydrophobicContact CB-CD1 3.64Å; C216-F232 HydrophobicContact CB-CE1 3.81Å; A218-F232 HydrophobicContact CB-CD1 4.16Å; A218-F232 HydrophobicContact CB-CE1 4.31Å; I230-F232 HydrophobicContact CG2-CE2 4.24Å; I230-F232 HydrophobicContact CG2-CZ 4.1Å; F232-G234 PolarHBondContact O-N 2.87Å; F232-W235 HydrophobicContact CB-CB 4.01Å; F232-W235 HydrophobicContact CB-CG 4.24Å; F232-W235 PolarHBondContact O-N 2.95Å; F232-F239 HydrophobicContact CD2-CB 3.68Å; F232-F239 HydrophobicContact CE2-CB 4.31Å; F232-F239 WeakPolarHBondContact CE2-O 3.19Å; F232-F239 HydrophobicContact CG-CB 4.41Å; F232-D240 PolarHBondContact N-OD1 2.92Å; F232-Y241 HydrophobicContact CE2-CD1 4.01Å; F232-Y241 AromaticContact CE2-CE1 3.68Å; F232-Y241 HydrophobicContact CE2-CE1 3.68Å; F232-Y241 HydrophobicContact CZ-CD1 4.5Å; F232-Y241 AromaticContact CZ-CE1 3.71Å; F232-Y241 HydrophobicContact CZ-CE1 3.71Å
233D96.4Very high94.5Very high12 Ų1249.2 Ų49.26%0.06428%0.276CS..THydrogen-bonded Turntrans-63.1120.8-170-77.9-3.6000110.9Y18 K203 P217 S219 W235 P266 G267Y18-D233 WeakPolarHBondContact CE1-OD2 3.41Å; Y18-D233 PolarHBondContact OH-OD2 3.28Å; K203-D233 VanDerWaalsContact NZ-CG 3.26Å; K203-D233 IonicContact NZ-OD1 2.64Å; K203-D233 PolarHBondContact NZ-OD1 2.83Å; K203-D233 IonicContact NZ-OD2 2.66Å; K203-D233 PolarHBondContact NZ-OD2 3.26Å; P217-D233 HydrophobicContact CB-CB 4.39Å; P217-D233 PolarHBondContact O-N 3.11Å; P217-D233 VanDerWaalsContact O-N 3.11Å; S219-D233 PolarHBondContact N-OD1 3.4Å; S219-D233 PolarHBondContact OG-OD1 3.21Å; D233-W235 VanDerWaalsContact C-N 3.33Å; D233-W235 PolarHBondContact O-N 2.93Å; D233-P266 HydrophobicContact CB-CB 4.17Å; D233-P266 CarbonylContact O-C 3.34Å; D233-P266 WeakPolarHBondContact O-CA 3.26Å; D233-G267 PolarHBondContact O-N 3.21Å
234G93Very high94.5Very high14 Ų1452.5 Ų52.514%0.14428%0.282CS..THydrogen-bonded Turntrans81.41.7-179.400000116.2F232 G267 N269F232-G234 PolarHBondContact O-N 2.87Å; G234-G267 WeakPolarHBondContact CA-O 3.45Å; G234-G267 CarbonylContact O-C 3.59Å; G234-N269 VanDerWaalsContact O-CB 3.31Å; G234-N269 WeakPolarHBondContact O-CB 3.22Å; G234-N269 PolarHBondContact O-N 3.06Å; G234-N269 PolarHBondContact O-ND2 3.06Å
235W93.4Very high94.7Very high120 Ų12048.1 Ų48.146%0.45526%0.258SS..SBendtrans-99.9172.4174-66.893.1000111.5F232 D233 F239F232-W235 HydrophobicContact CB-CB 4.01Å; F232-W235 HydrophobicContact CB-CG 4.24Å; F232-W235 PolarHBondContact O-N 2.95Å; D233-W235 VanDerWaalsContact C-N 3.33Å; D233-W235 PolarHBondContact O-N 2.93Å; W235-F239 HydrophobicContact CB-CD2 4.34Å; W235-F239 HydrophobicContact CE3-CD2 4.44Å; W235-F239 AromaticContact CE3-CE2 3.98Å; W235-F239 HydrophobicContact CE3-CE2 3.98Å; W235-F239 HydrophobicContact CE3-CZ 4.33Å
236S89.8Confident94.8Very high54 Ų5446.9 Ų46.938%0.37824%0.239SC..  trans-88.1154.8169.160.20000110.3A238 F239S236-A238 PolarHBondContact O-N 2.83Å; S236-F239 PolarHBondContact O-N 3.15Å
237G89.2Confident94.9Very high53 Ų5342.8 Ų42.855%0.54622%0.222SC..THydrogen-bonded Turntrans-67.616.9-175.300000117.1D240G237-D240 VanDerWaalsContact CA-CG 3.46Å; G237-D240 WeakPolarHBondContact CA-OD2 3.37Å
238A90.9Very high94.9Very high49 Ų4940.3 Ų40.341%0.40521%0.209SC..THydrogen-bonded Turntrans-78.3-19.7170.300000112.9R210 S236R210-A238 PolarHBondContact NE-O 3.06Å; R210-A238 PolarHBondContact NH2-O 2.75Å; S236-A238 PolarHBondContact O-N 2.83Å
239F91.3Very high94.9Very high56 Ų5642.8 Ų42.825%0.24622%0.221CC..SBendtrans-91.5-20.5175.6-62.6-95.7000112.2R210 F232 W235 S236 Y241R210-F239 VanDerWaalsContact CD-CD1 3.42Å; F232-F239 HydrophobicContact CD2-CB 3.68Å; F232-F239 HydrophobicContact CE2-CB 4.31Å; F232-F239 WeakPolarHBondContact CE2-O 3.19Å; F232-F239 HydrophobicContact CG-CB 4.41Å; W235-F239 HydrophobicContact CB-CD2 4.34Å; W235-F239 HydrophobicContact CE3-CD2 4.44Å; W235-F239 AromaticContact CE3-CE2 3.98Å; W235-F239 HydrophobicContact CE3-CE2 3.98Å; W235-F239 HydrophobicContact CE3-CZ 4.33Å; S236-F239 PolarHBondContact O-N 3.15Å; F239-Y241 WeakPolarHBondContact O-CD1 3.33Å
240D95.6Very high94.9Very high40 Ų4041 Ų4121%0.21421%0.212CC..  trans-64.9144.7-174.3-62.1-1.1000112.5I230 N231 F232 G237I230-D240 WeakPolarHBondContact O-CA 3.46Å; I230-D240 WeakPolarHBondContact O-CB 3.5Å; N231-D240 WeakPolarHBondContact CA-OD1 3.5Å; N231-D240 PolarHBondContact ND2-OD2 3.15Å; F232-D240 PolarHBondContact N-OD1 2.92Å; G237-D240 VanDerWaalsContact CA-CG 3.46Å; G237-D240 WeakPolarHBondContact CA-OD2 3.37Å
241Y96.6Very high94.9Very high21 Ų2141 Ų418%0.08221%0.212CC..EExtended strand (participates in β ladder)trans-149.7154.8-178.859.9-104.7000113.7V207 R209 I230 F232 F239 A243V207-Y241 VanDerWaalsContact O-CE1 3.31Å; V207-Y241 WeakPolarHBondContact O-CE1 3.23Å; V207-Y241 PolarHBondContact O-OH 2.66Å; R209-Y241 HydrophobicContact CB-CD1 4.22Å; R209-Y241 HydrophobicContact CB-CE1 4.13Å; R209-Y241 HydrophobicContact CG-CD1 4.05Å; R209-Y241 HydrophobicContact CG-CE1 3.69Å; R209-Y241 HydrophobicContact CG-CE2 4.47Å; R209-Y241 VanDerWaalsContact CZ-CD2 3.45Å; R209-Y241 VanDerWaalsContact CZ-CE2 3.5Å; I230-Y241 HydrophobicContact CB-CD2 4.26Å; I230-Y241 HydrophobicContact CB-CE2 4.13Å; I230-Y241 HydrophobicContact CG1-CD2 4.18Å; I230-Y241 HydrophobicContact CG1-CE2 3.83Å; I230-Y241 PolarHBondContact N-O 2.68Å; I230-Y241 PolarHBondContact O-N 3.22Å; I230-Y241 VanDerWaalsContact O-N 3.13Å; F232-Y241 HydrophobicContact CE2-CD1 4.01Å; F232-Y241 AromaticContact CE2-CE1 3.68Å; F232-Y241 HydrophobicContact CE2-CE1 3.68Å; F232-Y241 HydrophobicContact CZ-CD1 4.5Å; F232-Y241 AromaticContact CZ-CE1 3.71Å; F232-Y241 HydrophobicContact CZ-CE1 3.71Å; F239-Y241 WeakPolarHBondContact O-CD1 3.33Å; Y241-A243 HydrophobicContact CD2-CB 4.25Å; Y241-A243 HydrophobicContact CE2-CB 4.01Å
242W96.7Very high94.9Very high114 Ų11440 Ų4043%0.43221%0.207SC..EExtended strand (participates in β ladder)trans-78123.8166.2-71.292.1000110.3R209 A222 N224 H227 I228 L229R209-W242 PolarHBondContact NH1-O 2.9Å; A222-W242 HydrophobicContact CB-CH2 3.68Å; A222-W242 HydrophobicContact CB-CZ2 4.23Å; A222-W242 HydrophobicContact CB-CZ3 4.44Å; N224-W242 HydrophobicContact CB-CH2 3.79Å; N224-W242 HydrophobicContact CB-CZ3 3.64Å; H227-W242 HydrophobicContact CB-CE3 3.86Å; H227-W242 HydrophobicContact CB-CZ3 4.39Å; I228-W242 CarbonylContact O-C 3.59Å; I228-W242 WeakPolarHBondContact O-CA 3.2Å; L229-W242 HydrophobicContact CB-CD2 4.13Å; L229-W242 HydrophobicContact CB-CE3 4.14Å; L229-W242 HydrophobicContact CB-CH2 4.07Å; L229-W242 HydrophobicContact CB-CZ2 4.03Å; L229-W242 HydrophobicContact CB-CZ3 4.12Å; L229-W242 HydrophobicContact CD1-CD2 4.36Å; L229-W242 HydrophobicContact CD1-CG 4.34Å
243A94.8Very high95Very high0 Ų041.3 Ų41.30%022%0.216CC..EExtended strand (participates in β ladder)trans-105.2159.9169.500000109.7H227 I228 I230 Y241 L250H227-A243 CarbonylContact C-O 3.52Å; H227-A243 WeakPolarHBondContact CA-O 3.35Å; H227-A243 WeakPolarHBondContact CB-O 3.26Å; H227-A243 PolarHBondContact CD2-O 2.95Å; I228-A243 HydrophobicContact CG1-CB 4.21Å; I228-A243 PolarHBondContact N-O 2.65Å; I228-A243 PolarHBondContact O-N 3.31Å; I230-A243 HydrophobicContact CD1-CB 4.47Å; I230-A243 HydrophobicContact CG1-CB 3.95Å; Y241-A243 HydrophobicContact CD2-CB 4.25Å; Y241-A243 HydrophobicContact CE2-CB 4.01Å; A243-L250 HydrophobicContact CB-CD1 4.03Å; A243-L250 HydrophobicContact CB-CD2 4.17Å; A243-L250 HydrophobicContact CB-CG 4.46Å
244R95.5Very high94.9Very high128 Ų12841.9 Ų41.948%0.48322%0.224SC..EExtended strand (participates in β ladder)trans-80.5151.8154.8-70170.550.8136.8-4.5109.1H226 H227 D246 S247 L250H226-R244 VanDerWaalsContact O-CA 3.29Å; H226-R244 WeakPolarHBondContact O-CA 3.18Å; H227-R244 WeakPolarHBondContact NE2-CG 2.78Å; R244-D246 VanDerWaalsContact C-N 3.27Å; R244-D246 WeakPolarHBondContact CB-OD1 3.22Å; R244-D246 IonicContact CZ-OD1 3.4Å; R244-D246 IonicContact CZ-OD2 2.76Å; R244-D246 IonicContact NE-OD1 3.18Å; R244-D246 PolarHBondContact NE-OD1 2.99Å; R244-D246 IonicContact NE-OD2 3.8Å; R244-D246 VanDerWaalsContact NH2-CG 3.35Å; R244-D246 IonicContact NH2-OD1 2.81Å; R244-D246 PolarHBondContact NH2-OD1 3.09Å; R244-D246 IonicContact NH2-OD2 3.7Å; R244-D246 PolarHBondContact NH2-OD2 3.43Å; R244-D246 PolarHBondContact O-N 3.19Å; R244-S247 VanDerWaalsContact O-CB 3.22Å; R244-S247 WeakPolarHBondContact O-CB 3.44Å; R244-S247 PolarHBondContact O-N 3.04Å; R244-S247 VanDerWaalsContact O-N 3.15Å; R244-L250 WeakPolarHBondContact O-CD1 3.45Å
245F95.8Very high95.1Very high15 Ų1541.6 Ų41.67%0.06622%0.219CC..THydrogen-bonded Turntrans-60.4-34.8178.574.7-74.5000113.2P193 D195 N196 F198 H226 S247P193-F245 HydrophobicContact CB-CD2 4.33Å; P193-F245 HydrophobicContact CB-CE2 4.05Å; P193-F245 HydrophobicContact CG-CD2 3.8Å; P193-F245 HydrophobicContact CG-CE2 3.68Å; P193-F245 WeakPolarHBondContact O-CE2 3.33Å; D195-F245 WeakPolarHBondContact O-CD2 3.15Å; D195-F245 VanDerWaalsContact O-CE2 3.22Å; D195-F245 WeakPolarHBondContact O-CE2 3.42Å; N196-F245 HydrophobicContact CB-CB 3.9Å; N196-F245 HydrophobicContact CB-CD1 4.01Å; N196-F245 HydrophobicContact CB-CD2 4.13Å; N196-F245 HydrophobicContact CB-CG 3.76Å; N196-F245 WeakPolarHBondContact OD1-CB 3.12Å; F198-F245 HydrophobicContact CD2-CB 4.02Å; F198-F245 HydrophobicContact CE2-CB 4.15Å; H226-F245 HydrophobicContact CB-CD1 3.91Å; H226-F245 HydrophobicContact CB-CE1 3.83Å; H226-F245 AromaticContact ND1-CE1 3.79Å; H226-F245 WeakPolarHBondContact O-CD1 3.47Å; H226-F245 PolarHBondContact O-N 2.92Å; F245-S247 VanDerWaalsContact C-N 3.25Å; F245-S247 PolarHBondContact O-N 3.29Å
246D95.4Very high95.3Very high28 Ų2835.9 Ų35.915%0.1520%0.197CC..THydrogen-bonded Turntrans-83.112.3177.866.2-31.9000114.2K33 P193 R244 R248K33-D246 HydrophobicContact CB-CB 4.37Å; K33-D246 WeakPolarHBondContact CB-O 3.36Å; K33-D246 HydrophobicContact CD-CB 4.38Å; P193-D246 HydrophobicContact CG-CB 4.41Å; R244-D246 VanDerWaalsContact C-N 3.27Å; R244-D246 WeakPolarHBondContact CB-OD1 3.22Å; R244-D246 IonicContact CZ-OD1 3.4Å; R244-D246 IonicContact CZ-OD2 2.76Å; R244-D246 IonicContact NE-OD1 3.18Å; R244-D246 PolarHBondContact NE-OD1 2.99Å; R244-D246 IonicContact NE-OD2 3.8Å; R244-D246 VanDerWaalsContact NH2-CG 3.35Å; R244-D246 IonicContact NH2-OD1 2.81Å; R244-D246 PolarHBondContact NH2-OD1 3.09Å; R244-D246 IonicContact NH2-OD2 3.7Å; R244-D246 PolarHBondContact NH2-OD2 3.43Å; R244-D246 PolarHBondContact O-N 3.19Å; D246-R248 PolarHBondContact O-N 3.4Å
247S95.8Very high95.5Very high22 Ų2241.3 Ų41.315%0.15421%0.214CC..  trans-68.6127.9-178.9-177.20000112.5R244 F245 E249 L250R244-S247 VanDerWaalsContact O-CB 3.22Å; R244-S247 WeakPolarHBondContact O-CB 3.44Å; R244-S247 PolarHBondContact O-N 3.04Å; R244-S247 VanDerWaalsContact O-N 3.15Å; F245-S247 VanDerWaalsContact C-N 3.25Å; F245-S247 PolarHBondContact O-N 3.29Å; S247-E249 PolarHBondContact O-N 3.43Å; S247-E249 VanDerWaalsContact O-N 3.08Å; S247-E249 PolarHBondContact OG-N 3.01Å; S247-E249 PolarHBondContact OG-OE2 2.98Å; S247-L250 PolarHBondContact O-N 3.34Å; S247-L250 VanDerWaalsContact O-N 3.15Å
248R96.1Very high95.8Very high33 Ų3342.5 Ų42.513%0.12521%0.214CC..THydrogen-bonded Turntrans-66.1-5173.6-55.7-51.3-49.9-73.34.7114.1K33 Q34 L139 D141 D246 L250 F251K33-R248 WeakPolarHBondContact O-CD 3.5Å; K33-R248 PolarHBondContact O-NE 3.43Å; Q34-R248 PolarHBondContact NE2-O 2.92Å; L139-R248 HydrophobicContact CD1-CB 4.17Å; L139-R248 VanDerWaalsContact CD1-NH2 3.35Å; D141-R248 PolarHBondContact O-NH1 2.84Å; D141-R248 IonicContact OD1-CZ 3.65Å; D141-R248 VanDerWaalsContact OD1-CZ 3.22Å; D141-R248 IonicContact OD1-NH1 3.58Å; D141-R248 PolarHBondContact OD1-NH1 2.89Å; D141-R248 IonicContact OD1-NH2 3.48Å; D141-R248 PolarHBondContact OD1-NH2 2.87Å; D141-R248 IonicContact OD2-CZ 2.8Å; D141-R248 IonicContact OD2-NH2 3.42Å; D141-R248 PolarHBondContact OD2-NH2 2.86Å; D246-R248 PolarHBondContact O-N 3.4Å; R248-L250 VanDerWaalsContact C-N 3.33Å; R248-F251 VanDerWaalsContact O-CZ 3.3Å; R248-F251 WeakPolarHBondContact O-CZ 3.39Å
249E96.8Very high96Very high52 Ų5240.6 Ų40.624%0.24320%0.198CC..THydrogen-bonded Turntrans-85-3173.9-62.8174125.200113.6V207 R209 S247V207-E249 HydrophobicContact CB-CB 4.1Å; V207-E249 HydrophobicContact CB-CG 4.46Å; V207-E249 HydrophobicContact CG2-CB 3.95Å; V207-E249 HydrophobicContact CG2-CG 4.34Å; V207-E249 PolarHBondContact N-O 3.01Å; R209-E249 IonicContact CZ-OE2 3.22Å; R209-E249 IonicContact NE-OE1 2.69Å; R209-E249 PolarHBondContact NE-OE1 3.41Å; R209-E249 IonicContact NE-OE2 3.14Å; R209-E249 PolarHBondContact NE-OE2 3.01Å; R209-E249 IonicContact NH2-OE2 3.45Å; R209-E249 PolarHBondContact NH2-OE2 2.88Å; S247-E249 PolarHBondContact O-N 3.43Å; S247-E249 VanDerWaalsContact O-N 3.08Å; S247-E249 PolarHBondContact OG-N 3.01Å; S247-E249 PolarHBondContact OG-OE2 2.98Å
250L98Very high96.1Very high1 Ų144.9 Ų44.91%0.00522%0.224CC..EExtended strand (participates in β ladder)trans-111135.2-178.2-51.5175.3000109.9F32 Q34 F198 L204 A206 I228 I230 A243 R244 S247 R248F32-L250 HydrophobicContact CD1-CB 4.07Å; F32-L250 HydrophobicContact CE1-CB 4.08Å; Q34-L250 VanDerWaalsContact CG-O 3.29Å; Q34-L250 WeakPolarHBondContact CG-O 2.95Å; Q34-L250 PolarHBondContact NE2-O 3.06Å; F198-L250 HydrophobicContact CZ-CD1 4.49Å; L204-L250 HydrophobicContact CD1-CB 4.16Å; L204-L250 HydrophobicContact CD1-CD2 3.83Å; L204-L250 HydrophobicContact CD1-CG 4.48Å; A206-L250 HydrophobicContact CB-CD2 4.2Å; I228-L250 HydrophobicContact CD1-CD1 3.87Å; I230-L250 HydrophobicContact CD1-CD2 3.72Å; I230-L250 HydrophobicContact CG1-CD2 3.86Å; A243-L250 HydrophobicContact CB-CD1 4.03Å; A243-L250 HydrophobicContact CB-CD2 4.17Å; A243-L250 HydrophobicContact CB-CG 4.46Å; R244-L250 WeakPolarHBondContact O-CD1 3.45Å; S247-L250 PolarHBondContact O-N 3.34Å; S247-L250 VanDerWaalsContact O-N 3.15Å; R248-L250 VanDerWaalsContact C-N 3.33Å
251F98Very high96Very high1 Ų143.5 Ų43.50%0.00422%0.216CC..EExtended strand (participates in β ladder)trans-135.3147-176.4-50.7-86.4000111.8F32 Q34 L139 E205 V207 I215 R248 W255F32-F251 VanDerWaalsContact CE1-O 3.23Å; F32-F251 WeakPolarHBondContact CE1-O 3.01Å; F32-F251 WeakPolarHBondContact CZ-O 3.23Å; Q34-F251 HydrophobicContact CG-CD1 4.02Å; Q34-F251 VanDerWaalsContact NE2-CD1 3.29Å; L139-F251 HydrophobicContact CD1-CE1 3.91Å; L139-F251 HydrophobicContact CD1-CZ 4.26Å; L139-F251 HydrophobicContact CD2-CE1 4.17Å; L139-F251 HydrophobicContact CD2-CZ 4.41Å; E205-F251 HydrophobicContact CB-CB 4.04Å; E205-F251 PolarHBondContact N-O 3.13Å; E205-F251 PolarHBondContact O-N 2.81Å; V207-F251 HydrophobicContact CG2-CE2 3.88Å; I215-F251 HydrophobicContact CD1-CD2 4.07Å; I215-F251 HydrophobicContact CD1-CE2 3.62Å; I215-F251 HydrophobicContact CD1-CZ 4.24Å; I215-F251 HydrophobicContact CG1-CE2 4.36Å; I215-F251 HydrophobicContact CG2-CD2 4.3Å; R248-F251 VanDerWaalsContact O-CZ 3.3Å; R248-F251 WeakPolarHBondContact O-CZ 3.39Å; F251-W255 HydrophobicContact CB-CB 3.83Å; F251-W255 HydrophobicContact CB-CD2 4Å; F251-W255 HydrophobicContact CB-CE3 4.07Å; F251-W255 HydrophobicContact CB-CG 3.92Å; F251-W255 AromaticContact CD1-CD2 3.43Å; F251-W255 HydrophobicContact CD1-CD2 3.43Å; F251-W255 VanDerWaalsContact CD1-CD2 3.43Å; F251-W255 AromaticContact CD1-CE2 3.58Å; F251-W255 AromaticContact CD1-CE3 3.4Å; F251-W255 HydrophobicContact CD1-CE3 3.4Å; F251-W255 VanDerWaalsContact CD1-CE3 3.4Å; F251-W255 HydrophobicContact CD1-CG 4.11Å; F251-W255 AromaticContact CD1-CH2 3.65Å; F251-W255 HydrophobicContact CD1-CH2 3.65Å; F251-W255 AromaticContact CD1-CZ2 3.7Å; F251-W255 HydrophobicContact CD1-CZ2 3.7Å; F251-W255 AromaticContact CD1-CZ3 3.52Å; F251-W255 HydrophobicContact CD1-CZ3 3.52Å; F251-W255 HydrophobicContact CD2-CE3 4.46Å; F251-W255 HydrophobicContact CE1-CD2 4.17Å; F251-W255 AromaticContact CE1-CE3 3.88Å; F251-W255 HydrophobicContact CE1-CE3 3.88Å; F251-W255 AromaticContact CE1-CH2 3.32Å; F251-W255 HydrophobicContact CE1-CH2 3.32Å; F251-W255 AromaticContact CE1-CZ2 3.67Å; F251-W255 HydrophobicContact CE1-CZ2 3.67Å; F251-W255 AromaticContact CE1-CZ3 3.46Å; F251-W255 HydrophobicContact CE1-CZ3 3.46Å; F251-W255 VanDerWaalsContact CE1-CZ3 3.46Å; F251-W255 AromaticContact CG-CD2 3.96Å; F251-W255 HydrophobicContact CG-CD2 3.96Å; F251-W255 AromaticContact CG-CE3 3.74Å; F251-W255 HydrophobicContact CG-CE3 3.74Å; F251-W255 HydrophobicContact CG-CG 4.39Å; F251-W255 HydrophobicContact CG-CZ3 4.12Å; F251-W255 HydrophobicContact CZ-CH2 4.12Å; F251-W255 HydrophobicContact CZ-CZ3 4.01Å
252P97.9Very high95.9Very high16 Ų1645.3 Ų45.310%0.10423%0.23CC..  trans-66.1156.7176.527.6-33.6000111.5L29 F32 G254 W255L29-P252 HydrophobicContact CD1-CB 3.97Å; L29-P252 HydrophobicContact CD1-CG 3.66Å; F32-P252 HydrophobicContact CD2-CB 3.93Å; F32-P252 HydrophobicContact CD2-CG 4.49Å; F32-P252 HydrophobicContact CE2-CB 3.75Å; F32-P252 HydrophobicContact CZ-CB 4.21Å; P252-G254 PolarHBondContact O-N 2.87Å; P252-W255 HydrophobicContact CG-CB 4.01Å; P252-W255 HydrophobicContact CG-CG 4.31Å; P252-W255 WeakPolarHBondContact O-CB 3.43Å; P252-W255 PolarHBondContact O-N 2.83Å
253V97.5Very high95.9Very high39 Ų3941.8 Ų41.824%0.23622%0.22CC..THydrogen-bonded Turntrans-57.4125.7176.9163.80000110.9W15 L19 P26 K203W15-V253 HydrophobicContact CB-CG1 3.75Å; W15-V253 HydrophobicContact CD2-CB 4.41Å; W15-V253 HydrophobicContact CD2-CG1 3.6Å; W15-V253 HydrophobicContact CD2-CG2 4.2Å; W15-V253 HydrophobicContact CE3-CG1 4.03Å; W15-V253 HydrophobicContact CE3-CG2 4.17Å; W15-V253 HydrophobicContact CG-CG1 3.49Å; W15-V253 VanDerWaalsContact CG-CG1 3.49Å; W15-V253 HydrophobicContact CH2-CG2 4.05Å; W15-V253 HydrophobicContact CZ2-CG2 4.07Å; W15-V253 HydrophobicContact CZ3-CG2 4.11Å; L19-V253 HydrophobicContact CD1-CG1 4.23Å; P26-V253 HydrophobicContact CB-CB 3.93Å; P26-V253 HydrophobicContact CB-CG1 4.38Å; P26-V253 HydrophobicContact CB-CG2 3.85Å; K203-V253 HydrophobicContact CB-CG2 4.21Å; K203-V253 WeakPolarHBondContact O-CG2 3.26Å
254G95.8Very high96Very high23 Ų2345.1 Ų45.124%0.23724%0.235CC..THydrogen-bonded Turntrans91.7-3.7-178.400000114.5E205 P252 C256 K257 S258E205-G254 WeakPolarHBondContact OE1-CA 3.19Å; E205-G254 PolarHBondContact OE1-N 3.27Å; P252-G254 PolarHBondContact O-N 2.87Å; G254-C256 PolarHBondContact O-N 3.48Å; G254-K257 WeakPolarHBondContact O-CB 3.35Å; G254-K257 PolarHBondContact O-N 3.11Å; G254-S258 PolarHBondContact O-N 3.19Å
255W96.8Very high96Very high8 Ų842.6 Ų42.63%0.0324%0.235CC..Hα-helixtrans-60.3-48.8-176.6-170.690.2000112P38 P121 L139 E205 F251 P252 K257 S258 A259P38-W255 HydrophobicContact CB-CZ2 4.25Å; P121-W255 HydrophobicContact CB-CH2 4.42Å; P121-W255 HydrophobicContact CG-CH2 3.31Å; P121-W255 HydrophobicContact CG-CZ2 3.86Å; P121-W255 HydrophobicContact CG-CZ3 4.06Å; L139-W255 HydrophobicContact CD2-CH2 3.65Å; L139-W255 HydrophobicContact CD2-CZ2 4.21Å; E205-W255 PolarHBondContact OE1-N 2.69Å; E205-W255 PolarHBondContact OE2-N 3.03Å; F251-W255 HydrophobicContact CB-CB 3.83Å; F251-W255 HydrophobicContact CB-CD2 4Å; F251-W255 HydrophobicContact CB-CE3 4.07Å; F251-W255 HydrophobicContact CB-CG 3.92Å; F251-W255 AromaticContact CD1-CD2 3.43Å; F251-W255 HydrophobicContact CD1-CD2 3.43Å; F251-W255 VanDerWaalsContact CD1-CD2 3.43Å; F251-W255 AromaticContact CD1-CE2 3.58Å; F251-W255 AromaticContact CD1-CE3 3.4Å; F251-W255 HydrophobicContact CD1-CE3 3.4Å; F251-W255 VanDerWaalsContact CD1-CE3 3.4Å; F251-W255 HydrophobicContact CD1-CG 4.11Å; F251-W255 AromaticContact CD1-CH2 3.65Å; F251-W255 HydrophobicContact CD1-CH2 3.65Å; F251-W255 AromaticContact CD1-CZ2 3.7Å; F251-W255 HydrophobicContact CD1-CZ2 3.7Å; F251-W255 AromaticContact CD1-CZ3 3.52Å; F251-W255 HydrophobicContact CD1-CZ3 3.52Å; F251-W255 HydrophobicContact CD2-CE3 4.46Å; F251-W255 HydrophobicContact CE1-CD2 4.17Å; F251-W255 AromaticContact CE1-CE3 3.88Å; F251-W255 HydrophobicContact CE1-CE3 3.88Å; F251-W255 AromaticContact CE1-CH2 3.32Å; F251-W255 HydrophobicContact CE1-CH2 3.32Å; F251-W255 AromaticContact CE1-CZ2 3.67Å; F251-W255 HydrophobicContact CE1-CZ2 3.67Å; F251-W255 AromaticContact CE1-CZ3 3.46Å; F251-W255 HydrophobicContact CE1-CZ3 3.46Å; F251-W255 VanDerWaalsContact CE1-CZ3 3.46Å; F251-W255 AromaticContact CG-CD2 3.96Å; F251-W255 HydrophobicContact CG-CD2 3.96Å; F251-W255 AromaticContact CG-CE3 3.74Å; F251-W255 HydrophobicContact CG-CE3 3.74Å; F251-W255 HydrophobicContact CG-CG 4.39Å; F251-W255 HydrophobicContact CG-CZ3 4.12Å; F251-W255 HydrophobicContact CZ-CH2 4.12Å; F251-W255 HydrophobicContact CZ-CZ3 4.01Å; P252-W255 HydrophobicContact CG-CB 4.01Å; P252-W255 HydrophobicContact CG-CG 4.31Å; P252-W255 WeakPolarHBondContact O-CB 3.43Å; P252-W255 PolarHBondContact O-N 2.83Å; W255-K257 VanDerWaalsContact C-N 3.28Å; W255-K257 PolarHBondContact O-N 2.73Å; W255-S258 CarbonylContact O-C 3.54Å; W255-S258 PolarHBondContact O-N 3.05Å; W255-S258 PolarHBondContact O-OG 2.9Å; W255-A259 HydrophobicContact CD2-CB 4.27Å; W255-A259 HydrophobicContact CE3-CB 3.95Å; W255-A259 HydrophobicContact CH2-CB 4.29Å; W255-A259 HydrophobicContact CZ3-CB 3.96Å; W255-A259 WeakPolarHBondContact O-CB 3.48Å; W255-A259 PolarHBondContact O-N 3.46Å
256C96.4Very high95.9Very high0 Ų043.1 Ų43.10%024%0.24CC..Hα-helixtrans-56.4-40.4176.8-740000112.5E205 G254 A259 N260 Y261 L263E205-C256 VanDerWaalsContact OE2-CB 3.26Å; E205-C256 WeakPolarHBondContact OE2-CB 3.22Å; E205-C256 PolarHBondContact OE2-N 2.87Å; E205-C256 PolarHBondContact OE2-SG 3.15Å; G254-C256 PolarHBondContact O-N 3.48Å; C256-A259 CarbonylContact O-C 3.6Å; C256-A259 PolarHBondContact O-N 2.83Å; C256-N260 PolarHBondContact O-N 2.91Å; C256-N260 VanDerWaalsContact O-N 3.12Å; C256-Y261 PolarHBondContact O-N 2.78Å; C256-L263 HydrophobicContact CB-CB 3.89Å; C256-L263 HydrophobicContact CB-CD1 4.34Å
257K94.9Very high95.7Very high169 Ų16942 Ų4274%0.73524%0.235SC*.Hα-helixtrans-63-43.1175.7-176.7179.9177-177.90111.5G254 W255 A259G254-K257 WeakPolarHBondContact O-CB 3.35Å; G254-K257 PolarHBondContact O-N 3.11Å; W255-K257 VanDerWaalsContact C-N 3.28Å; W255-K257 PolarHBondContact O-N 2.73Å; K257-A259 VanDerWaalsContact C-N 3.34Å
258S95.4Very high95.4Very high77 Ų7745.6 Ų45.654%0.53826%0.258SS..Hα-helixtrans-71.5-26.7175.267.40000113.9P38 G254 W255P38-S258 WeakPolarHBondContact CG-OG 3.34Å; G254-S258 PolarHBondContact O-N 3.19Å; W255-S258 CarbonylContact O-C 3.54Å; W255-S258 PolarHBondContact O-N 3.05Å; W255-S258 PolarHBondContact O-OG 2.9Å
259A95.2Very high94.7Very high10 Ų1047.6 Ų47.68%0.08327%0.271CS..THydrogen-bonded Turntrans-88.9-0.1-177.900000113.7P38 G120 P121 W255 C256 K257 Y261P38-A259 HydrophobicContact CB-CB 3.72Å; P38-A259 HydrophobicContact CG-CB 3.76Å; G120-A259 WeakPolarHBondContact CA-O 3.35Å; P121-A259 WeakPolarHBondContact CD-O 3.32Å; P121-A259 HydrophobicContact CG-CB 3.98Å; W255-A259 HydrophobicContact CD2-CB 4.27Å; W255-A259 HydrophobicContact CE3-CB 3.95Å; W255-A259 HydrophobicContact CH2-CB 4.29Å; W255-A259 HydrophobicContact CZ3-CB 3.96Å; W255-A259 WeakPolarHBondContact O-CB 3.48Å; W255-A259 PolarHBondContact O-N 3.46Å; C256-A259 CarbonylContact O-C 3.6Å; C256-A259 PolarHBondContact O-N 2.83Å; K257-A259 VanDerWaalsContact C-N 3.34Å; A259-Y261 VanDerWaalsContact C-N 3.26Å; A259-Y261 PolarHBondContact O-N 3.46Å
260N93.2Very high93.8Very high146 Ų14646.3 Ų46.378%0.78127%0.267SS*.THydrogen-bonded Turntrans49.345.5-168.8-165.437.3000112.9C256C256-N260 PolarHBondContact O-N 2.91Å; C256-N260 VanDerWaalsContact O-N 3.12Å
261Y94Very high92Very high10 Ų1053 Ų534%0.03930%0.301CS..  trans-112.8139.1-179.9-162.4-85.1000110.7C119 R122 Q213 I215 C256 A259 L263C119-Y261 HydrophobicContact CB-CD2 4.28Å; C119-Y261 HydrophobicContact CB-CE2 3.81Å; C119-Y261 VanDerWaalsContact O-CD2 3.29Å; C119-Y261 WeakPolarHBondContact O-CD2 3.07Å; C119-Y261 WeakPolarHBondContact O-CE2 3.47Å; R122-Y261 HydrophobicContact CB-CE2 4.02Å; R122-Y261 HydrophobicContact CG-CD2 4.44Å; R122-Y261 HydrophobicContact CG-CE2 4.06Å; R122-Y261 PolarHBondContact NH1-OH 2.94Å; Q213-Y261 PolarHBondContact O-OH 3.2Å; I215-Y261 HydrophobicContact CB-CE1 4.36Å; I215-Y261 HydrophobicContact CD1-CD1 3.76Å; I215-Y261 HydrophobicContact CD1-CE1 3.68Å; I215-Y261 HydrophobicContact CD1-CG 4.47Å; I215-Y261 HydrophobicContact CG1-CD1 4.26Å; I215-Y261 HydrophobicContact CG1-CE1 3.84Å; C256-Y261 PolarHBondContact O-N 2.78Å; A259-Y261 VanDerWaalsContact C-N 3.26Å; A259-Y261 PolarHBondContact O-N 3.46Å; Y261-L263 PolarHBondContact O-N 3.32Å; Y261-L263 VanDerWaalsContact O-N 3.15Å
262P94.4Very high89.8Confident59 Ų5963.1 Ų63.138%0.38334%0.339SS..  trans-71108.6179.828.2-35000112.2
263L96.3Very high87.1Confident41 Ų4166 Ų6622%0.21536%0.36CS..BIsolated β-bridgetrans-82.8134.3169-173.667.9000110.2F13 W15 E205 I215 P217 C256 Y261F13-L263 HydrophobicContact CD1-CD2 4Å; F13-L263 HydrophobicContact CE1-CD2 3.72Å; W15-L263 HydrophobicContact CZ2-CD2 4.49Å; W15-L263 VanDerWaalsContact NE1-CD2 3.26Å; E205-L263 HydrophobicContact CB-CD1 4.27Å; E205-L263 HydrophobicContact CG-CD1 3.75Å; E205-L263 HydrophobicContact CG-CD2 4.29Å; I215-L263 HydrophobicContact CB-CD1 4.47Å; I215-L263 HydrophobicContact CG2-CD1 3.97Å; P217-L263 HydrophobicContact CG-CD2 4.42Å; P217-L263 HydrophobicContact CG-CG 4.47Å; C256-L263 HydrophobicContact CB-CB 3.89Å; C256-L263 HydrophobicContact CB-CD1 4.34Å; Y261-L263 PolarHBondContact O-N 3.32Å; Y261-L263 VanDerWaalsContact O-N 3.15Å
264Q96.4Very high84.2Confident69 Ų6969 Ų6932%0.32238%0.38SS..PPolyproline II helixtrans-73.9150.9172.7-63-55.5-70.800111.7L214 I215 C216 P217L214-Q264 HydrophobicContact CB-CG 4.21Å; L214-Q264 HydrophobicContact CD1-CG 4.48Å; L214-Q264 HydrophobicContact CD2-CG 4.07Å; L214-Q264 HydrophobicContact CG-CG 4.48Å; I215-Q264 PolarHBondContact O-N 2.78Å; C216-Q264 HydrophobicContact CB-CB 4.49Å; P217-Q264 WeakPolarHBondContact CD-O 3.14Å; P217-Q264 WeakPolarHBondContact CG-O 3.33Å
265P95.1Very high81.5Confident76 Ų7672.4 Ų72.449%0.49439%0.392SS..PPolyproline II helixtrans-67.8159.2164.231.4-35.1000110.8F13F13-P265 HydrophobicContact CB-CB 4.26Å
266P94.9Very high78.7Confident26 Ų2678.3 Ų78.317%0.16942%0.423CS..PPolyproline II helixtrans-56.5151.7167.2-23.533.8000112.2F13 Y18 P217 D233 V270F13-P266 HydrophobicContact CD2-CG 4.09Å; F13-P266 HydrophobicContact CE2-CG 3.54Å; F13-P266 HydrophobicContact CZ-CG 4.15Å; Y18-P266 HydrophobicContact CD1-CG 4.45Å; Y18-P266 HydrophobicContact CD2-CG 4.27Å; Y18-P266 HydrophobicContact CE1-CG 4.08Å; Y18-P266 HydrophobicContact CE2-CB 4.46Å; Y18-P266 HydrophobicContact CE2-CG 3.9Å; P217-P266 HydrophobicContact CB-CG 4.08Å; P217-P266 HydrophobicContact CG-CG 4.06Å; D233-P266 HydrophobicContact CB-CB 4.17Å; D233-P266 CarbonylContact O-C 3.34Å; D233-P266 WeakPolarHBondContact O-CA 3.26Å; P266-V270 HydrophobicContact CB-CG2 3.54Å
267G91.5Very high75.7Confident4 Ų486.8 Ų86.84%0.04146%0.462CS..PPolyproline II helixtrans-63.4160.5179.500000113.8D233 G234 N269 V270D233-G267 PolarHBondContact O-N 3.21Å; G234-G267 WeakPolarHBondContact CA-O 3.45Å; G234-G267 CarbonylContact O-C 3.59Å; G267-N269 PolarHBondContact O-N 3.49Å; G267-V270 PolarHBondContact O-N 3.27Å
268P88.2Confident72.7Confident98 Ų9882.3 Ų82.364%0.63645%0.452SS*.G310 helixtrans-63.1-17.5-16824.9-35.2000114.6V270P268-V270 VanDerWaalsContact C-N 3.33Å; P268-V270 PolarHBondContact O-N 3.36Å
269N82.7Confident70Confident75 Ų7583.2 Ų83.240%0.40146%0.455SS..G310 helixtrans-80.5-8-177-55.3-71.4000114.2G234 G267 I271 R272 S273G234-N269 VanDerWaalsContact O-CB 3.31Å; G234-N269 WeakPolarHBondContact O-CB 3.22Å; G234-N269 PolarHBondContact O-N 3.06Å; G234-N269 PolarHBondContact O-ND2 3.06Å; G267-N269 PolarHBondContact O-N 3.49Å; N269-I271 PolarHBondContact O-N 3.33Å; N269-I271 VanDerWaalsContact O-N 3.1Å; N269-R272 WeakPolarHBondContact O-CA 3.42Å; N269-R272 PolarHBondContact O-N 2.69Å; N269-S273 PolarHBondContact O-N 3.13Å
270V77.1Confident67Low25 Ų2587.2 Ų87.215%0.15248%0.48CS..G310 helixtrans-50.6-37.1176.2160.50000112.8Y18 P266 G267 P268 R272 S273Y18-V270 HydrophobicContact CE2-CG1 3.9Å; Y18-V270 HydrophobicContact CE2-CG2 4.39Å; P266-V270 HydrophobicContact CB-CG2 3.54Å; G267-V270 PolarHBondContact O-N 3.27Å; P268-V270 VanDerWaalsContact C-N 3.33Å; P268-V270 PolarHBondContact O-N 3.36Å; V270-R272 VanDerWaalsContact C-N 3.27Å; V270-R272 PolarHBondContact O-N 2.81Å; V270-S273 PolarHBondContact O-OG 3.32Å
271I59.7Low64Low141 Ų14184.8 Ų84.872%0.72347%0.474SS*.G310 helixtrans-75-18.8-178.2-58177000111.7N269N269-I271 PolarHBondContact O-N 3.33Å; N269-I271 VanDerWaalsContact O-N 3.1Å
272R51.8Low61.2Low213 Ų21391.3 Ų91.380%0.80450%0.503SS*.G310 helixtrans-94.6-9.5-178-63.3-175.4174.4-162-3113.8N269 V270 P274N269-R272 WeakPolarHBondContact O-CA 3.42Å; N269-R272 PolarHBondContact O-N 2.69Å; V270-R272 VanDerWaalsContact C-N 3.27Å; V270-R272 PolarHBondContact O-N 2.81Å; R272-P274 VanDerWaalsContact O-CD 3.25Å; R272-P274 WeakPolarHBondContact O-CD 3.36Å
273S41.1Very low58.1Low78 Ų7895.7 Ų95.755%0.54552%0.522SS..  trans-109.786.617756.20000111N269 V270N269-S273 PolarHBondContact O-N 3.13Å; V270-S273 PolarHBondContact O-OG 3.32Å
274P36.9Very low55.2Low100 Ų100104.3 Ų104.365%0.64955%0.553SS**  trans-59.3153.8158.329.8-34.6000109.3R272 I276R272-P274 VanDerWaalsContact O-CD 3.25Å; R272-P274 WeakPolarHBondContact O-CD 3.36Å; P274-I276 PolarHBondContact O-N 2.8Å
275I40.7Very low52.2Low96 Ų96104.5 Ų104.549%0.49257%0.567SS.*  trans-67.394.7-173-55165.9000110T22 N23T22-I275 VanDerWaalsContact O-CD1 3.27Å; T22-I275 WeakPolarHBondContact O-CD1 3.42Å; N23-I275 HydrophobicContact CB-CD1 4.49Å
276I36.8Very low49.7Very low131 Ų131108.4 Ų108.467%0.67258%0.578SS**  trans-94.5115.7165.1-56-176.7000107.4P274 S278P274-I276 PolarHBondContact O-N 2.8Å; I276-S278 WeakPolarHBondContact CG2-OG 3.44Å; I276-S278 PolarHBondContact O-N 3.5Å
277H34.2Very low46.8Very low178 Ų178115.5 Ų115.582%0.82462%0.615SS**  trans-71.273.2171.2-70.1-87000110.4
278S32.1Very low44.4Very low76 Ų76119.8 Ų119.853%0.53164%0.644SS.*  trans-137.587.1175.4620000110.9I276 P280I276-S278 WeakPolarHBondContact CG2-OG 3.44Å; I276-S278 PolarHBondContact O-N 3.5Å; S278-P280 WeakPolarHBondContact O-CD 3.41Å
279T37.5Very low42.1Very low96 Ų96122.1 Ų122.159%0.58966%0.656SS**  trans-49.8123.2132.7430000107S281T279-S281 VanDerWaalsContact C-N 3.32Å; T279-S281 PolarHBondContact O-N 3.02Å; T279-S281 PolarHBondContact O-OG 3.25Å
280P33Very low40Very low94 Ų94123.4 Ų123.461%0.6167%0.671SS**  trans-64.1104.5166.928.5-32.1000105.8S278 F282S278-P280 WeakPolarHBondContact O-CD 3.41Å; P280-F282 HydrophobicContact CB-CD2 3.74Å; P280-F282 HydrophobicContact CB-CE2 3.73Å; P280-F282 HydrophobicContact CG-CD2 4.32Å; P280-F282 HydrophobicContact CG-CE2 4.49Å; P280-F282 PolarHBondContact O-N 3.42Å
281S30.6Very low38.2Very low94 Ų94131.6 Ų131.666%0.65771%0.708SS**  trans-77.853.8-172.9-610000110.5T279 L283T279-S281 VanDerWaalsContact C-N 3.32Å; T279-S281 PolarHBondContact O-N 3.02Å; T279-S281 PolarHBondContact O-OG 3.25Å; S281-L283 PolarHBondContact O-N 3.49Å
282F34.7Very low37.2Very low147 Ų147129.1 Ų129.165%0.64571%0.708SS**  trans-63.4102.2165.4-70.8-62.8000107.2P280 Y284 Q721P280-F282 HydrophobicContact CB-CD2 3.74Å; P280-F282 HydrophobicContact CB-CE2 3.73Å; P280-F282 HydrophobicContact CG-CD2 4.32Å; P280-F282 HydrophobicContact CG-CE2 4.49Å; P280-F282 PolarHBondContact O-N 3.42Å; F282-Y284 PolarHBondContact O-N 3.15Å; F282-Q721 VanDerWaalsContact CE2-NE2 3.28Å
283L29.7Very low36.4Very low152 Ų152125.4 Ų125.480%0.79671%0.712SS**  trans-53.3108.9-171.2-62.4166.6000110.4S281 A285S281-L283 PolarHBondContact O-N 3.49Å; L283-A285 HydrophobicContact CB-CB 4.15Å; L283-A285 PolarHBondContact O-N 3.16Å
284Y34.4Very low36.4Very low221 Ų221127.5 Ų127.587%0.86773%0.726SS**  trans-6966.5148.9-100.4-88.5000108F282 H286F282-Y284 PolarHBondContact O-N 3.15Å; Y284-H286 VanDerWaalsContact C-N 3.29Å; Y284-H286 PolarHBondContact O-N 3.24Å
285A33.3Very low36.7Very low73 Ų73129.4 Ų129.460%0.60374%0.736SS**  trans-66.192.6171.500000107.4L283 N287L283-A285 HydrophobicContact CB-CB 4.15Å; L283-A285 PolarHBondContact O-N 3.16Å; A285-N287 PolarHBondContact O-N 3.17Å
286H43.1Very low36.3Very low159 Ų159129.8 Ų129.874%0.73675%0.747SS**  trans-55.5108.7170-91.1-104.9000108.6Y284 S288Y284-H286 VanDerWaalsContact C-N 3.29Å; Y284-H286 PolarHBondContact O-N 3.24Å; H286-S288 PolarHBondContact O-N 2.91Å; H286-S288 PolarHBondContact O-OG 3.48Å
287N34.5Very low36.5Very low174 Ų174129.4 Ų129.493%0.9375%0.753SS**  trans-60.288.7171.7-91.9-30.4000109.8A285A285-N287 PolarHBondContact O-N 3.17Å
288S40Very low36.5Very low94 Ų94129.9 Ų129.966%0.65775%0.753SS**  trans-121.9127.5178.6-51.40000106.8H286H286-S288 PolarHBondContact O-N 2.91Å; H286-S288 PolarHBondContact O-OG 3.48Å
289V40.4Very low36.5Very low147 Ų147136.6 Ų136.689%0.89177%0.768SS**  trans-64.8143.3-164.7175.60000112.4
290S37.9Very low36.4Very low102 Ų102140.2 Ų140.271%0.71378%0.783SS**  trans-59.3142.3-174.7-41.20000115
291Q40.1Very low36.3Very low198 Ų198140 Ų14093%0.92578%0.783SS**  trans-157.1157.1138.3-117.6148.994.700112.2
292A38.5Very low36.8Very low89 Ų89144.7 Ų144.774%0.73679%0.792SS**  trans-85.2156.9-166.300000113.4
293P35.1Very low36.9Very low135 Ų135143.2 Ų143.288%0.87780%0.795SS**  trans-76.2148.3-17831.8-35.9000112.6
294S41.1Very low37.1Very low121 Ų121143.2 Ų143.285%0.84680%0.795SS**  trans-142.7156.5164.560.10000112.1
295V43Very low37.1Very low140 Ų140137.7 Ų137.785%0.84878%0.784SS**  trans-72.4138.6-161176.80000113.4
296S32.5Very low37.2Very low104 Ų104141.3 Ų141.373%0.72779%0.793SS**  trans-79.7145.2167.862.90000112.5
297P39.9Very low36.8Very low124 Ų124138.2 Ų138.281%0.80579%0.789SS**  -132.8164119.734-23.5000113.5
298K35.8Very low36.8Very low187 Ų187135.7 Ų135.781%0.81378%0.784SS**  trans-99.2167.9175.9-66.3179.1179.5175.30111
299Y32.4Very low36.6Very low218 Ų218135.6 Ų135.686%0.85578%0.784SS**  trans66101.5168.1-80.3-85000117.7
300L35.3Very low36.2Very low171 Ų171139.8 Ų139.890%0.89578%0.783SS**  -156.9172.5101.2-106.7164.4000110.8
301S30.8Very low36.2Very low89 Ų89143.5 Ų143.562%0.62279%0.794SS**  trans-112.9179-164.859.60000113.7
302K40.2Very low35.8Very low194 Ų194138.7 Ų138.784%0.84378%0.781SS**  trans93.8148.7173.4-55.3166.7-177.4175.80114.9
303V36Very low35.7Very low116 Ų116143.5 Ų143.570%0.70379%0.786SS**  cis-167.1165.4-14.3128.20000107.9
304L35.7Very low35.9Very low151 Ų151142.6 Ų142.679%0.79178%0.778SS**  trans68.4126.6-179.8-60.3145000113.7
305T32.9Very low35.6Very low105 Ų105142.7 Ų142.764%0.64477%0.769SS**  cis87.1136.131.771.50000116.1
306N36.7Very low35.3Very low149 Ų149144 Ų14480%0.79776%0.763SS**  trans72.5153.3167.3-60-14.8000117.3
307S34.6Very low35.3Very low94 Ų94145.4 Ų145.466%0.65777%0.768SS**  cis179.6169-44.551.60000107.6
308C34.2Very low35.3Very low121 Ų121145 Ų14582%0.81877%0.767SS**  trans64.4168177.8-65.60000116.5
309S34.8Very low35.5Very low93 Ų93140.8 Ų140.865%0.6576%0.762SS**  cis-169.3152.3-46.161.50000110.5
310R32.5Very low35.6Very low234 Ų234136.4 Ų136.488%0.88376%0.762SS**  trans24.4119.8152-78.2-177.3-89.9-168.8-9.3119.2
311I37.1Very low35.6Very low181 Ų181134.1 Ų134.193%0.92876%0.757SS**  trans-149.1160.9135.9-103.9151.6000108.5
312S33.2Very low35.6Very low96 Ų96141.3 Ų141.367%0.67177%0.771SS**  trans-151.5153.1-168.266.10000114.6
313K35.7Very low35.4Very low190 Ų190142.4 Ų142.483%0.82678%0.776SS**  trans87.6165.7162.5-57.3-178.8176.4179.90118.3
314T38.9Very low35.2Very low117 Ų117144.2 Ų144.272%0.71877%0.774SS**  trans76.6100.8163.659.50000120.7
315D35.7Very low35.2Very low122 Ų122145.5 Ų145.565%0.65278%0.781SS**  86.3132.9114-74.829.5000124.4
316K37.2Very low35.3Very low168 Ų168142.1 Ų142.173%0.7377%0.767SS**  trans82.298135.4-74169.1-176.9121.80122.2
317T32.8Very low35.3Very low134 Ų134140.3 Ų140.382%0.82276%0.756SS**  53.9103.8121.358.60000121.8
318S39.6Very low35.3Very low114 Ų114138.6 Ų138.680%0.79775%0.745SS**  trans-172.7149.9140.456.50000109.7
319S38.4Very low35.4Very low100 Ų100143 Ų14370%0.69974%0.744SS**  cis157.3129-33.951.20000107.3
320C35Very low35.4Very low125 Ų125149.3 Ų149.385%0.84575%0.753SS**  trans71.3161.9164.7-59.40000118.8
321P36.2Very low35.6Very low124 Ų124144.6 Ų144.681%0.80574%0.744SS**  cis-126.1160.6-13.230.5-11.6000115.8
322R30.5Very low35.5Very low240 Ų240145.4 Ų145.491%0.90674%0.741SS**  trans-83.9155.6162.1-110.7177.8172.1172.9-2.9110.7
323K34.8Very low35.4Very low217 Ų217145.7 Ų145.794%0.94374%0.743SS**  trans-131.8144148.7-77.3-171.6176178.70110.1
324K32.7Very low35.4Very low154 Ų154145.6 Ų145.667%0.6775%0.745SS**  trans-144.9129-179.7-179.2-157.2-179.9-160.70107.1E442K324-E442 IonicContact NZ-OE1 3.7Å; K324-E442 PolarHBondContact NZ-OE1 2.96Å; K324-E442 IonicContact NZ-OE2 3.66Å; K324-E442 PolarHBondContact NZ-OE2 2.96Å
325L36Very low35.2Very low178 Ų178143.9 Ų143.993%0.93274%0.743SS**  trans-150.5152.4169.3-94.4176.9000110.5
326G34.8Very low35.1Very low34 Ų34145.1 Ų145.135%0.35175%0.75SS.*  trans-167.7159.1175.200000110.1S439G326-S439 CarbonylContact C-O 3.54Å; G326-S439 VanDerWaalsContact CA-O 3.22Å; G326-S439 WeakPolarHBondContact CA-O 3.42Å
327L36.3Very low34.8Very low110 Ų110143.8 Ų143.858%0.57675%0.75SS**  trans-150.4147.3173.5-125.4117.5000112.2R329 S439L327-R329 VanDerWaalsContact CD2-NH2 3.33Å; L327-S439 CarbonylContact C-O 3.51Å; L327-S439 PolarHBondContact N-O 3.01Å; L327-S439 CarbonylContact O-C 3.59Å
328S34.3Very low34.6Very low59 Ų59142.4 Ų142.441%0.41374%0.741SS.*  trans-127156.8178.1-160.40000112.4
329R37.7Very low34.2Very low213 Ų213147.9 Ų147.980%0.80474%0.744SS**  trans169.6111.1160.4-98.6167.3-72.2177.50.6105L327L327-R329 VanDerWaalsContact CD2-NH2 3.33Å
330R33.6Very low33.8Very low225 Ų225146.8 Ų146.885%0.84974%0.737SS**  cis71.413936.8-149.8-162.7179.6-169.60.6113.9
331I36.5Very low33.7Very low135 Ų135147.4 Ų147.469%0.69273%0.731SS**  trans87.4102.9165.7-46.9170.5000115.3
332K34.9Very low33.4Very low199 Ų199147.3 Ų147.387%0.86572%0.723SS**  -152.2145.496.7-98.9-179-175.7179.90111.1
333S31.8Very low33.6Very low102 Ų102145.5 Ų145.571%0.71372%0.717SS**  trans-125.5139178.552.20000108.7
334H36.8Very low33.4Very low188 Ų188140.5 Ų140.587%0.8770%0.7SS**  trans-131.7126.6156.6-89.6-91.7000108.9
335A32.8Very low33.6Very low81 Ų81140.5 Ų140.567%0.66970%0.702SS**  trans-97.8-165.216400000108.6
336N34.8Very low33.5Very low148 Ų148136.4 Ų136.479%0.79169%0.685SS**  trans87.6145.1172.4-60.4-14.2000116.1
337L30.1Very low33.5Very low140 Ų140143.8 Ų143.873%0.73371%0.71SS**  cis-169.8128.3-21.7-163.859.4000110.2
338V29.9Very low33.5Very low104 Ų104142.8 Ų142.863%0.6371%0.713SS**  trans64.4139.5142.2166.40000122.1
339R29.9Very low33.4Very low229 Ų229144.7 Ų144.786%0.86473%0.726SS**  trans68.9154.2158.8-83162.7-169.1169.71.1117.9
340S30.2Very low33.3Very low78 Ų78139.8 Ų139.855%0.54572%0.72SS.*  cis177.7168.5-25.551.80000109.6
341N32.7Very low33.3Very low138 Ų138137.2 Ų137.274%0.73872%0.717SS**  trans72.1149.8156-62.7-5.9000114.9
342L31.1Very low32.9Very low121 Ų121140.2 Ų140.263%0.63473%0.725SS**  cis-165.6155-19.9-143.569.7000107.5
343R33.4Very low32.7Very low203 Ų203142 Ų14277%0.76673%0.727SS**  trans66.7164.4155.6-59.9-159.1162.4125.64.1119.3
344D31.2Very low32.8Very low112 Ų112144.7 Ų144.760%0.59973%0.733SS**  cis-164-167.5-35.7-89.2-22000104.8
345E36.3Very low32.7Very low153 Ų153141.5 Ų141.572%0.71573%0.729SS**  trans72.1133.7159.7-56.2-48103.400119.8
346T33.7Very low32.4Very low93 Ų93148.1 Ų148.157%0.57174%0.737SS**  cis-163.8154.3-28.9-1.20000109.7
347E34.9Very low32.1Very low188 Ų188148.5 Ų148.588%0.87973%0.734SS**  trans58.8160.1150.6-68.6173.8-17500120
348S36.1Very low32.1Very low90 Ų90150 Ų15063%0.62974%0.742SS**  cis-140.3142.5-1.490.70000109
349S32.6Very low31.9Very low98 Ų98149.5 Ų149.569%0.68574%0.743SS**  70.5142.899.397.90000115.5
350T35.6Very low32Very low111 Ų111144.2 Ų144.268%0.68174%0.736SS**  cis-151.3163.517.532.10000114
351H34.7Very low32.3Very low171 Ų171149 Ų14979%0.79275%0.747SS**  trans47.7130156.7-61.4-56.2000122.2
352F27Very low32.6Very low197 Ų197151.2 Ų151.286%0.86475%0.753SS**  cis68.5101.439.5-95.7-88.2000117.4
353R31Very low32.8Very low236 Ų236150.6 Ų150.689%0.89176%0.756SS**  173.1139116.8-99.9179173.4-171.1-2.1114.6
354N34.5Very low32.9Very low159 Ų159148.5 Ų148.585%0.8576%0.76SS**  trans-79.3151.8145.5-91.5-29.2000108.8
355P35.4Very low33Very low122 Ų122147.9 Ų147.979%0.79276%0.764SS**  -147.3-179.6114.139.3-23.6000116
356R26.4Very low33Very low220 Ų220148.5 Ų148.583%0.8377%0.769SS**  trans-65.2164.4-177.6-62.5173.1175.9167.1-5.4115.8
357E26.7Very low33.2Very low156 Ų156147.8 Ų147.873%0.72977%0.768SS**  trans35.2127.9136.4-59.9166.1136.900120.3
358L30.8Very low33.3Very low172 Ų172144.2 Ų144.290%0.90176%0.761SS**  -163161105.5-127.675.6000112.2
359S26.7Very low33.4Very low92 Ų92149.4 Ų149.464%0.64377%0.772SS**  trans-88.8165.517782.20000113.2
360T32.2Very low33.5Very low119 Ų119150.1 Ų150.173%0.7378%0.777SS**  -168.1119.7123.2-79.40000112.7
361K36.5Very low33.9Very low179 Ų179151.2 Ų151.278%0.77879%0.786SS**  trans28.8147.9133.7-43178.4-174.91760119.3
362Q37.6Very low33.8Very low184 Ų184147.3 Ų147.386%0.8678%0.783SS**  cis-151.8175.949-99.5-161-42.400114.6
363P35.3Very low33.9Very low108 Ų108145.8 Ų145.870%0.70178%0.784SS**  trans-121.3-175.8-150.345.6-36.4000116.1
364L36.9Very low34.1Very low159 Ų159140.4 Ų140.483%0.83278%0.782SS**  trans-176.6125.6133.1-89.6164.4000106.4
365S33.2Very low34.2Very low98 Ų98141.4 Ų141.469%0.68578%0.779SS**  66.6131.370.5-174.60000113.2
366M36.3Very low34.5Very low167 Ų167141.6 Ų141.682%0.82378%0.78SS**  cis-167.1170.8-5-103.6-63.9-110.400106.4
367S36.1Very low34.6Very low78 Ų78136.7 Ų136.755%0.54577%0.77SS.*  cis-159.5167.3-3.247.10000109.4
368P38.8Very low35.3Very low113 Ų113138.1 Ų138.173%0.73478%0.776SS**  trans-96.8159.2-178.237.5-35.2000114.8
369F37.5Very low35.4Very low198 Ų198136.8 Ų136.887%0.86877%0.77SS**  trans-143.4136166.2-88.3-76.8000114.1
370S34.3Very low35.6Very low113 Ų113137.4 Ų137.479%0.7977%0.774SS**  trans-122.7151.5155.3-49.50000107.9
371P44.6Very low35.6Very low135 Ų135138 Ų13888%0.87778%0.778SS**  trans-109.5159.7156.135.7-27.9000111.2
372A32.2Very low35.5Very low88 Ų88133.5 Ų133.573%0.72777%0.774SS**  trans-138.1166.4-178.300000111.4
373L29.3Very low35.4Very low166 Ų166129.5 Ų129.587%0.86977%0.766SS**  trans54.9119.7166-87.470.5000118.5
374S34.9Very low35.5Very low122 Ų122131.9 Ų131.985%0.85377%0.768SS**  -161.9150.9112.927.10000111
375K35.9Very low35.7Very low181 Ų181131.2 Ų131.279%0.78776%0.76SS**  trans-95.4165163.3-63.5-176.1178.9-177.90108.3
376P41.9Very low35.9Very low125 Ų125133.1 Ų133.181%0.81276%0.76SS**  -136152.19837.5-28.4000114.1
377N30Very low36Very low118 Ų118131.1 Ų131.163%0.63175%0.753SS**  trans-77.9151.5151.1-68.5-1000107.7
378H40.7Very low36Very low185 Ų185132.4 Ų132.486%0.85676%0.757SS**  -168.2156.5121.2-98.2-64.8000110.8
379N32.4Very low35.9Very low144 Ų144133.1 Ų133.177%0.7776%0.755SS**  trans-81.2162.5-164.3-43.3-32.5000112.8
380S30.4Very low35.9Very low105 Ų105131.6 Ų131.673%0.73475%0.748SS**  139.8112.5110-165.50000117.5
381V33.8Very low36Very low133 Ų133131.7 Ų131.781%0.80674%0.739SS**  trans74.7146.8136.3170.20000121.5
382A34.4Very low35.7Very low83 Ų83131.8 Ų131.869%0.68673%0.728SS**  trans72.1123.2167.700000116.4
383S33.7Very low35.8Very low100 Ų100136.9 Ų136.970%0.69973%0.729SS**  74.3137.268-71.50000112.4
384E38Very low36.2Very low159 Ų159134 Ų13474%0.74372%0.717SS**  cis-163.8170.112.6-124.3155.2-137.900112.5
385H40.4Very low36.2Very low144 Ų144134.7 Ų134.767%0.66771%0.712SS**  trans71.1124.7154.4-84.6-138.6000120.4
386M38.6Very low36.2Very low138 Ų138132.9 Ų132.968%0.6871%0.71SS**  81.1147.580.8-64.4-38.2-175.500113.8
387D37.4Very low35.7Very low126 Ų126136 Ų13667%0.67471%0.711SS**  cis-157.5150-12.8-126-23.7000112.8
388V36.2Very low36Very low105 Ų105137.1 Ų137.164%0.63672%0.722SS**  trans33.4147.1132.51640000124.1
389N36.8Very low35.5Very low127 Ų127136.7 Ų136.768%0.67972%0.72SS**  trans77.4153158.7-80-17.7000119.5
390K37.3Very low36.2Very low166 Ų166134.1 Ų134.172%0.72271%0.711SS**  cis-173.5173.9-27.4-127.9179.3-156.8164.10111.4
391N37.4Very low36.4Very low115 Ų115136.2 Ų136.262%0.61571%0.714SS**  trans68.4121.3156.1-72.935.4000117.2
392E37.2Very low36.4Very low138 Ų138134.2 Ų134.265%0.64571%0.706SS**  108.1153.284.3-88.9-164.210300110.3
393R35Very low36.5Very low195 Ų195137.7 Ų137.774%0.73671%0.713SS**  cis179.5169-5.2173.6-150-175.9110.7-4.7108
394V37.9Very low36.5Very low105 Ų105139.7 Ų139.764%0.63672%0.715SS**  trans76.5151.4167-165.40000115.1
395D34Very low36.2Very low136 Ų136138.6 Ų138.673%0.72772%0.719SS**  -164.7-175.7-55.4-79-34.7000105.1
396L36.7Very low36Very low144 Ų144137.5 Ų137.575%0.75473%0.728SS**  cis-147.517615.3-90.596.7000110.8
397F31.2Very low35.9Very low190 Ų190139.3 Ų139.383%0.83374%0.735SS**  trans-5.5153.4142.7-65.4-102000119.3
398V36Very low36Very low142 Ų142139 Ų13986%0.86174%0.737SS**  cis-147.715947.6173.80000112.5
399E31.2Very low36Very low176 Ų176140.7 Ų140.782%0.82274%0.743SS**  trans-108.9-156.9-176.1-149.1-159.1-151.400113.2
400P45.9Very low36.1Very low90 Ų90139.1 Ų139.158%0.58474%0.742SS**  -116.3175.6-12041-25.3000116
401N35.8Very low36.2Very low148 Ų148136.4 Ų136.479%0.79174%0.744SS**  trans-171.1136.2132.7-110.7-66.3000117.6
402S32.7Very low36.5Very low91 Ų91137.9 Ų137.964%0.63675%0.75SS**  trans5.8132.9143.4-38.30000122.5
403L36.8Very low36.7Very low157 Ų157139.6 Ų139.682%0.82276%0.758SS**  166.7158.1110.8-90165.9000116.1
404N34.4Very low37Very low142 Ų142135 Ų13576%0.75976%0.756SS**  trans73.6110.8153.2-66.9-7.9000123.9
405T30.5Very low37.1Very low135 Ų135137.5 Ų137.583%0.82877%0.765SS**  trans-40.2148.3152.749.70000119.2
406S37.5Very low37.3Very low122 Ų122136.9 Ų136.985%0.85377%0.766SS**  trans-157.4171.3138.363.40000112.4
407Q36.3Very low37.2Very low175 Ų175135.6 Ų135.682%0.81877%0.769SS**  trans-82.1-177.9-176.2-60.3160.2-91.900111.7
408V38.5Very low38.6Very low119 Ų119132.4 Ų132.472%0.72177%0.767SS**  cis-160145.827.5-134.70000114.7
409D37.3Very low38.9Very low142 Ų142131.4 Ų131.476%0.75976%0.764SS**  trans72150.7134.8-111.9-59.6000128.4
410S39.6Very low39.3Very low94 Ų94130.9 Ų130.966%0.65777%0.765SS**  trans62.8108.8154-71.90000120.3
411S39Very low39.4Very low108 Ų108132.6 Ų132.676%0.75577%0.774SS**  120.5156.862.8680000107.9
412I43.9Very low39.7Very low147 Ų147130.4 Ų130.475%0.75477%0.767SS**  cis-142.6151.824.1-70.1176.7000111.8
413Q40.6Very low40.5Very low174 Ų174132.3 Ų132.381%0.81378%0.777SS**  trans-3.6149.7157.5-56.2174.8-2.500120.6
414S41Very low40.8Very low98 Ų98131.2 Ų131.269%0.68578%0.777SS**  -173.1138.678.8-68.20000116.9
415L41.1Very low40.7Very low157 Ų157131.3 Ų131.382%0.82278%0.777SS**  trans59.9152.5148.9-57.5171.3000121.3
416T37.2Very low41.4Very low124 Ų124133.8 Ų133.876%0.76178%0.779SS**  -177.4141.7-70.736.60000109
417S35.5Very low41.1Very low116 Ų116135.1 Ų135.181%0.81178%0.777SS**PPolyproline II helixtrans-103.6154.1179.8-53.20000113.4
418P59.5Low41.3Very low123 Ų123132 Ų13280%0.79978%0.78SS**PPolyproline II helixtrans-81153.517733.2-35.2000113.4
419P42.3Very low40.9Very low122 Ų122131.5 Ų131.579%0.79278%0.783SS**PPolyproline II helixtrans-93.2168.6-173.937.4-37.1000115.1
420I39.3Very low40.8Very low165 Ų165132.1 Ų132.185%0.84679%0.786SS**PPolyproline II helixtrans-90.4144.9174.8-64.9168.7000110.5
421V49Very low40.4Very low126 Ų126131.8 Ų131.876%0.76478%0.784SS**  trans-121.6127.5174-179.80000110.2
422P41.8Very low40.1Very low101 Ų101134.2 Ų134.266%0.65679%0.787SS**PPolyproline II helixtrans-93.8147.2171.635.7-31.8000112.3
423P49.8Very low39.3Very low131 Ų131133.8 Ų133.885%0.85179%0.786SS**PPolyproline II helixtrans-79.6158.8165.533.4-33.2000111.9
424V43.4Very low38.8Very low135 Ų135132.1 Ų132.182%0.81879%0.788SS**PPolyproline II helixtrans-95.6154-170.7172.30000112.3
425L32.9Very low38.2Very low144 Ų144135.5 Ų135.575%0.75479%0.791SS**PPolyproline II helixtrans-91.3127.4169.6179.374.5000109.9
426E43.6Very low37.8Very low186 Ų186139 Ų13987%0.86980%0.795SS**  trans-130.4133.6162.1-78.9-166.5134.600110.2
427D32.3Very low37.3Very low151 Ų151138.1 Ų138.181%0.80779%0.794SS**  trans-92.3135.6175.4-72.5-63.9000111.1
428A39.2Very low37.1Very low108 Ų108138 Ų13889%0.89379%0.793SS**  trans-148.8124.8156.900000110.3
429S30.7Very low35.9Very low110 Ų110135.5 Ų135.577%0.76978%0.778SS**  trans-97.5131.5-178.557.60000112.2
430D34.5Very low36.3Very low154 Ų154133.9 Ų133.982%0.82477%0.768SS**  trans-179.1154.6140.6-101.8-33.5000110.9
431S32Very low36.2Very low88 Ų88129.3 Ų129.362%0.61575%0.749SS**  cis-168.4-178.2-48.248.10000107.7
432L33.2Very low35.7Very low158 Ų158130 Ų13083%0.82774%0.744SS**  trans65.591.4167.9-57-179000118.8
433N26.6Very low35.5Very low138 Ų138133.8 Ų133.874%0.73875%0.752SS**  trans-19.8147.6138.3-53.8-62.5000116.4
434T30.9Very low35.2Very low139 Ų139132.7 Ų132.785%0.85375%0.745SS**  -155.1139.5124.1-820000111.6
435F28.4Very low35.1Very low170 Ų170132.3 Ų132.375%0.74675%0.745SS**  trans-70159.1178.9-66.4-109.4000112.1
436Y30.9Very low34.9Very low231 Ų231135.9 Ų135.991%0.90675%0.749SS**  -177.8155.4105.5-98.7-68.7000112.3
437S27.6Very low34.7Very low105 Ų105134.4 Ų134.473%0.73475%0.745SS**  trans-132.7145.6-176.2172.60000111.2
438S31.2Very low34.9Very low112 Ų112135 Ų13578%0.78374%0.743SS**  trans-164154.8157.337.40000111.8
439S34.2Very low34.3Very low72 Ų72134.7 Ų134.750%0.50374%0.741SS.*  trans-153.7164.7-164.1-54.50000111.3G326 L327G326-S439 CarbonylContact C-O 3.54Å; G326-S439 VanDerWaalsContact CA-O 3.22Å; G326-S439 WeakPolarHBondContact CA-O 3.42Å; L327-S439 CarbonylContact C-O 3.51Å; L327-S439 PolarHBondContact N-O 3.01Å; L327-S439 CarbonylContact O-C 3.59Å
440P51.3Low34.6Very low88 Ų88134.8 Ų134.857%0.57174%0.741SS**  trans-87.8-176.5-142.237.9-41.3000117.4
441P37.5Very low34.6Very low68 Ų68136.4 Ų136.444%0.44274%0.744SS.*  trans-147.2175.4134.741.4-28.9000113.6
442E37.8Very low34.5Very low140 Ų140140.7 Ų140.765%0.65475%0.752SS**  cis-143.8-92.1-31.2-106.1163.7148.500110.9K324K324-E442 IonicContact NZ-OE1 3.7Å; K324-E442 PolarHBondContact NZ-OE1 2.96Å; K324-E442 IonicContact NZ-OE2 3.66Å; K324-E442 PolarHBondContact NZ-OE2 2.96Å
443H38Very low34.6Very low182 Ų182140 Ų14084%0.84375%0.754SS**  trans-142-134.1-167.1-78.2-88.8000118.8
444P43.9Very low34.7Very low108 Ų108143.2 Ų143.270%0.70176%0.756SS**  -129.3-157.3-108.343.8-25.7000114.9
445P39.4Very low34.9Very low126 Ų126143.9 Ų143.982%0.81875%0.754SS**  -136.3176.5122.839.5-29.7000115.4
446R30.5Very low35.1Very low220 Ų220141.1 Ų141.183%0.8376%0.756SS**  trans-140.7131.3-175.8166.8-169.1177.5-170.3-0.2109.3
447I37.8Very low35.4Very low155 Ų155134.8 Ų134.880%0.79575%0.751SS**  trans-150.9145.4175.5-58.9-179.7000107
448E36.6Very low35.8Very low164 Ų164136.9 Ų136.977%0.76675%0.754SS**  cis-164-161.2-48.3-112.4161.8156.800108.7
449A27.6Very low36Very low101 Ų101135.2 Ų135.284%0.83576%0.755SS**  trans-143.1137.8-173.600000114.9
450S36.8Very low35.9Very low111 Ų111142.2 Ų142.278%0.77677%0.77SS**  trans-155.7125.1166.642.60000106.3
451E34.4Very low35.3Very low189 Ų189147 Ų14788%0.88378%0.784SS**  104.2156.759.2-85.4-153.3143.700112.6
452F29.2Very low35.2Very low177 Ų177154.6 Ų154.678%0.77680%0.804SS**  trans-72.3145.7-160.3-73.5-108.6000115.8
453V35.8Very low34.7Very low145 Ų145159.5 Ų159.588%0.87982%0.817SS**  -143161.6128.21750000108.4
454R29.4Very low34.6Very low205 Ų205160.7 Ų160.777%0.77482%0.82SS**  trans-108.3179.2-176.3-61.5-178.5-177.7166.81.9113.2
455D34.2Very low34.2Very low152 Ų152160.4 Ų160.481%0.81382%0.821SS**  trans87.1149162.7-59.4-11.1000117.2
456S33.6Very low33.9Very low112 Ų112159.9 Ų159.978%0.78382%0.82SS**  cis-171176.2-28.2-1670000108.7
457A36.7Very low34.6Very low98 Ų98155.9 Ų155.981%0.8182%0.822SS**  trans83145.9166.800000120.9
458D36Very low34.5Very low149 Ų149153.3 Ų153.380%0.79782%0.818SS**  trans-47.5151.2-166.6-91.3-77.8000121.1
459G35.4Very low34.4Very low78 Ų78152.4 Ų152.480%0.80482%0.819SS**  trans-166.774.4168.200000113.6
460R32.6Very low34.8Very low219 Ų219153.9 Ų153.983%0.82682%0.821SS**  trans-66.8130.7-174.9-54.2174.3-171.6168.32.7112.9
461H37.6Very low34.8Very low187 Ų187154.2 Ų154.287%0.86682%0.818SS**  trans-146.4174.8146.6-102.8-76.1000112.6
462R35.2Very low34.9Very low229 Ų229151 Ų15186%0.86481%0.811SS**  trans-88.2146.7-150.6-61.2178.2-175.9166.21.5114.6
463R28.6Very low35.1Very low242 Ų242152.9 Ų152.991%0.91381%0.813SS**  trans-72.6144.9168.8-56.2178.6-171.7172.51.9111
464F35.9Very low35Very low207 Ų207153.5 Ų153.591%0.90881%0.811SS**  trans-114.4167.3149.8-98.1-85000110
465S34.4Very low35.1Very low103 Ų103152.1 Ų152.172%0.7281%0.813SS**  trans-91147.2-158.9510000115.6
466S34.2Very low35.1Very low114 Ų114149.6 Ų149.680%0.79781%0.813SS**  trans-146.6122.3152.7-74.20000108.6S468S466-S468 PolarHBondContact O-N 3.49Å
467P44.1Very low35.1Very low136 Ų136154.2 Ų154.288%0.88382%0.819SS**  trans-80.1115.9176.9-9.827000110.7
468S37.2Very low35.1Very low101 Ų101154.8 Ų154.871%0.70682%0.818SS**  trans-103134174.356.30000112.1S466S466-S468 PolarHBondContact O-N 3.49Å
469D33.5Very low35.2Very low146 Ų146153.2 Ų153.278%0.78182%0.818SS**  trans43.792.8152.5-66.1-25.4000119.9V471D469-V471 VanDerWaalsContact C-N 3.3Å; D469-V471 HydrophobicContact CB-CG2 4.25Å; D469-V471 PolarHBondContact O-N 3.36Å
470C36.6Very low35.2Very low131 Ų131156.8 Ų156.889%0.88582%0.818SS**  trans-79.467.4163.8-66.70000112.4V472C470-V472 PolarHBondContact O-N 3.1Å; C470-V472 VanDerWaalsContact O-N 3.13Å
471V37Very low35.4Very low118 Ų118154.1 Ų154.172%0.71582%0.817SS**  trans-7697.9176179.10000111.1D469 R473D469-V471 VanDerWaalsContact C-N 3.3Å; D469-V471 HydrophobicContact CB-CG2 4.25Å; D469-V471 PolarHBondContact O-N 3.36Å; V471-R473 PolarHBondContact O-N 3.26Å
472V36.2Very low35.8Very low122 Ų122151 Ų15174%0.73981%0.813SS**  trans-78.799.8174.6-176.50000110.5C470 L474C470-V472 PolarHBondContact O-N 3.1Å; C470-V472 VanDerWaalsContact O-N 3.13Å; V472-L474 HydrophobicContact CG1-CD2 4.32Å; V472-L474 HydrophobicContact CG1-CG 4.31Å; V472-L474 PolarHBondContact O-N 3.17Å
473R32.7Very low35.7Very low216 Ų216146.6 Ų146.682%0.81581%0.812SS**  trans-88.986.3-179.3-163.9-177.2-162.9116.7-2.9111.4V471 Q475V471-R473 PolarHBondContact O-N 3.26Å; R473-Q475 PolarHBondContact O-N 3.46Å
474L34Very low36.1Very low159 Ų159140.5 Ų140.583%0.83281%0.806SS**  trans-72.2110.2172.9-67179.4000110.9V472V472-L474 HydrophobicContact CG1-CD2 4.32Å; V472-L474 HydrophobicContact CG1-CG 4.31Å; V472-L474 PolarHBondContact O-N 3.17Å
475Q32.3Very low36Very low176 Ų176137.8 Ų137.882%0.82280%0.801SS**  trans-85.1113.5165.7-70.1-177-68.600109.7R473R473-Q475 PolarHBondContact O-N 3.46Å
476A33.6Very low36Very low98 Ų98140 Ų14081%0.8181%0.81SS**  trans-75.4121.9163.800000109S478A476-S478 PolarHBondContact O-N 3.47Å
477K34.2Very low36.1Very low210 Ų210141.7 Ų141.791%0.91381%0.809SS**  trans-78.9109.3166.5-79.7-171.5173.2-173.10108.9S479K477-S479 PolarHBondContact O-N 3.31Å
478S35.1Very low35.7Very low110 Ų110143.2 Ų143.277%0.76980%0.804SS**  trans-74.2110.4166.252.20000109.8A476A476-S478 PolarHBondContact O-N 3.47Å
479S39Very low35.8Very low116 Ų116144 Ų14481%0.81181%0.806SS**  trans-87.5117.8162.9-164.60000108.1K477K477-S479 PolarHBondContact O-N 3.31Å
480L35.4Very low35.7Very low152 Ų152147.3 Ų147.380%0.79681%0.81SS**  trans-77.4135.7172.5-70.6163.7000109.3
481M37.5Very low35.5Very low163 Ų163150.1 Ų150.180%0.80381%0.81SS**  trans-140.4149.5156.8-81.7-7010500107.9
482P44.5Very low35.7Very low123 Ų123148.9 Ų148.980%0.79980%0.804SS**  trans-76.4166.9-169.7-1632.9000114.4
483V32.9Very low35.7Very low136 Ų136151 Ų15182%0.82481%0.806SS**  trans-99.5138.9-178.3-176.90000111.1
484S36.7Very low35.8Very low114 Ų114148.9 Ų148.980%0.79781%0.81SS**  trans-141.2137.1158.556.10000109.8
485N33.7Very low35.9Very low150 Ų150149.2 Ų149.280%0.80281%0.805SS**  trans-71.7153.7-165.1-50.1-34.7000114.3
486V36Very low35.8Very low150 Ų150146.2 Ų146.291%0.90980%0.804SS**  -173.7159.6124.8143.90000111.3
487L35.5Very low35.7Very low148 Ų148153 Ų15378%0.77581%0.808SS**  trans-57.1147.8-169-117.364000119.2
488H35.3Very low35.4Very low168 Ų168152.3 Ų152.378%0.77881%0.805SS**  trans58163.5148.2-94.2-72.5000121
489P39.1Very low35.2Very low117 Ų117153.4 Ų153.476%0.7681%0.807SS**  -101.6179.2-51.712.59.9000110.6
490Y31.5Very low34.8Very low217 Ų217153.1 Ų153.185%0.85180%0.8SS**  trans-120.9108.5-173-153.4-96.8000114.1P492Y490-P492 HydrophobicContact CD1-CB 4.39Å; Y490-P492 HydrophobicContact CD1-CG 4.46Å; Y490-P492 HydrophobicContact CE1-CB 3.85Å; Y490-P492 HydrophobicContact CE1-CG 4.28Å
491E33.3Very low34.8Very low189 Ų189151.5 Ų151.588%0.88380%0.797SS**  trans-118119.6164.4-178.2174.7-131.600108.5
492P40.8Very low34.7Very low93 Ų93153.1 Ų153.160%0.60480%0.799SS**  trans-99.1115-174.233-29.7000114Y490Y490-P492 HydrophobicContact CD1-CB 4.39Å; Y490-P492 HydrophobicContact CD1-CG 4.46Å; Y490-P492 HydrophobicContact CE1-CB 3.85Å; Y490-P492 HydrophobicContact CE1-CG 4.28Å
493E36.1Very low34.4Very low165 Ų165153.4 Ų153.477%0.77180%0.799SS**  trans-54.2145.5173.7-58.7176.2121.200114.5K495E493-K495 PolarHBondContact O-N 2.91Å
494L35.6Very low34.8Very low173 Ų173156.6 Ų156.691%0.90680%0.802SS**  trans-70.189.5176.7-75.3166.6000113S496L494-S496 PolarHBondContact O-N 2.73Å; L494-S496 VanDerWaalsContact O-N 3.13Å
495K34.7Very low34.9Very low165 Ų165159.4 Ų159.472%0.71780%0.802SS**  trans-73.7103.2175.3-72.5177.4-179.8171.30112.1E493 W497E493-K495 PolarHBondContact O-N 2.91Å; K495-W497 VanDerWaalsContact O-CD1 3.29Å; K495-W497 PolarHBondContact O-NE1 2.96Å
496S31.8Very low35.3Very low114 Ų114161.9 Ų161.980%0.79781%0.806SS**  trans-69.9143.8176.166.20000112.8L494L494-S496 PolarHBondContact O-N 2.73Å; L494-S496 VanDerWaalsContact O-N 3.13Å
497W30.8Very low35.3Very low240 Ų240161.6 Ų161.691%0.90980%0.799SS**  trans-109.9109.2-177.2-68.483.3000111.7K495K495-W497 VanDerWaalsContact O-CD1 3.29Å; K495-W497 PolarHBondContact O-NE1 2.96Å
498K28.2Very low35.6Very low196 Ų196164.5 Ų164.585%0.85281%0.806SS**  trans-81.8116.7170.2-85.1-179.2175173.40111.2V500K498-V500 PolarHBondContact O-N 3.07Å
499V30.5Very low35.9Very low132 Ų132165.6 Ų165.680%0.881%0.811SS**  trans-78.7116.8169.8178.10000109.4
500V31Very low35.7Very low110 Ų110168.1 Ų168.167%0.66781%0.813SS**  trans-109.6105.4179-179.20000110.7K498 K502K498-V500 PolarHBondContact O-N 3.07Å; V500-K502 HydrophobicContact CG1-CG 4.32Å; V500-K502 PolarHBondContact O-N 3.19Å
501T35Very low35.9Very low118 Ų118168.1 Ų168.172%0.72482%0.817SS**  trans-84.997.8176.339.20000111.5T503T501-T503 PolarHBondContact O-N 3.49Å; T501-T503 VanDerWaalsContact O-N 3.12Å
502K36.3Very low35.9Very low197 Ų197166 Ų16686%0.85781%0.811SS**  trans-79.489.1173.3-70.7-168.8176-175.90111.9V500 K504V500-K502 HydrophobicContact CG1-CG 4.32Å; V500-K502 PolarHBondContact O-N 3.19Å; K502-K504 PolarHBondContact O-N 3.18Å
503T38.2Very low35.7Very low130 Ų130171.4 Ų171.480%0.79883%0.825SS**  trans-69.8123.2168.139.20000110.8T501 Q505T501-T503 PolarHBondContact O-N 3.49Å; T501-T503 VanDerWaalsContact O-N 3.12Å; T503-Q505 PolarHBondContact O-N 3.05Å
504K40.2Very low35.5Very low202 Ų202175.1 Ų175.188%0.87883%0.832SS**  trans-92.986.1-173.9-157.2172.3-169.9174.30110.6K502 K506K502-K504 PolarHBondContact O-N 3.18Å; K504-K506 PolarHBondContact O-N 2.92Å
505Q39.2Very low35.5Very low173 Ų173179.1 Ų179.181%0.80884%0.835SS**  trans-56.2134.7173.9-78.9-175.2-22.400111.1T503T503-Q505 PolarHBondContact O-N 3.05Å
506K42.4Very low35.4Very low202 Ų202177.1 Ų177.188%0.87884%0.842SS**  trans-117.8101.4166.7-88.3-172.1172.2-178.40108.7K504K504-K506 PolarHBondContact O-N 2.92Å
507N36.9Very low35.6Very low145 Ų145175.4 Ų175.478%0.77584%0.842SS**  trans-68134.5170.7-76.5-17.7000110.7
508K41.7Very low35.8Very low208 Ų208171.3 Ų171.390%0.90484%0.838SS**  trans-134.7131.9154.4-97.1-167.6170.6-171.40107.9
509Q40.4Very low36.3Very low192 Ų192168.1 Ų168.190%0.89784%0.84SS**  trans-81.5161.3-166.8-74.1174.6-30.800114
510H34.4Very low36.5Very low170 Ų170171 Ų17179%0.78784%0.842SS**  trans-47.6149.6178.7-65.8-111.5000115.5
511K35.9Very low36.8Very low216 Ų216175.9 Ų175.994%0.93985%0.854SS**  -148.4105.2123.4-137.8164.1-171.7168.80111.5
512L33.7Very low36.7Very low144 Ų144179.6 Ų179.675%0.75486%0.86SS**  trans-93.5133.4175.5-108.3146.1000109.7
513K37.4Very low36.5Very low208 Ų208175.3 Ų175.390%0.90485%0.854SS**  trans-120.5118.4161.6-104.4-172.7174-176.90108.5
514R30.9Very low36.4Very low242 Ų242174.6 Ų174.691%0.91385%0.852SS**  trans-78.9145175.6-76.1172.5146.1170.3-7.5110.7
515R36.3Very low36Very low257 Ų257171.6 Ų171.697%0.9784%0.841SS**  trans-149.6144.3140.7-122.2178176.3-174.3-3.4109.1
516S32.6Very low35.9Very low123 Ų123171.8 Ų171.886%0.8685%0.845SS**  trans-117.1151.1-17151.30000111.7
517G36.5Very low35.5Very low78 Ų78169 Ų16980%0.80483%0.833SS**  trans-152.8114169.600000110.4
518N34.1Very low35.5Very low155 Ų155171.5 Ų171.583%0.82984%0.84SS**  trans-83.1149.7178.7-83.6-34.4000111.9
519S39.8Very low35.2Very low128 Ų128170 Ų17090%0.89583%0.834SS**  trans-154.4140139.5-930000111.5
520K33.4Very low34.8Very low194 Ų194171.3 Ų171.384%0.84384%0.837SS**  trans-103.5153.8-174.1-57.8170.8-178.9172.50110.2
521K38Very low34.8Very low212 Ų212171.8 Ų171.892%0.92284%0.837SS**  trans-151.3125.1145.9-106.8166-172.7-1780110.8
522K33Very low34.6Very low196 Ų196167.7 Ų167.785%0.85282%0.824SS**  trans-87.4177.9161.1-80.3-172.8167.3-1680107.9
523C31Very low34.6Very low106 Ų106165.7 Ų165.772%0.71683%0.828SS**  cis-160-16512.2-1310000106.4
524P37.7Very low34.3Very low116 Ų116162.5 Ų162.575%0.75382%0.821SS**  cis-128.6-177.6-5.539.3-20.9000115.4
525E30.9Very low34.5Very low139 Ų139159.1 Ų159.165%0.6582%0.821SS**  trans-83.3154.7170.7-49.1167.3117.300112.3K527E525-K527 VanDerWaalsContact CD-CE 3.48Å; E525-K527 WeakPolarHBondContact OE2-CE 3.45Å; E525-K527 IonicContact OE2-NZ 2.72Å; E525-K527 PolarHBondContact OE2-NZ 3.25Å
526I37.4Very low34.2Very low177 Ų177151.7 Ų151.791%0.90881%0.808SS**  trans-121.7143.3146.9-68.1-178.3000107.9
527K32.6Very low34.4Very low142 Ų142154 Ų15462%0.61781%0.81SS**  trans-117.5134.8-169.8-67.5161.4179.2151.20110.9E525E525-K527 VanDerWaalsContact CD-CE 3.48Å; E525-K527 WeakPolarHBondContact OE2-CE 3.45Å; E525-K527 IonicContact OE2-NZ 2.72Å; E525-K527 PolarHBondContact OE2-NZ 3.25Å
528Q37.8Very low34.1Very low198 Ų198155.4 Ų155.493%0.92580%0.804SS**  trans-130.1145.1143.4-81.9-169.9-15.200109.5
529K35.7Very low34Very low177 Ų177155.6 Ų155.677%0.7780%0.804SS**  trans-120139.8178.9-64.5174.6177.1176.40108
530F32.4Very low33.6Very low220 Ų220154.3 Ų154.397%0.96580%0.795SS**  trans-129.1150.1139.6-91.9-82000108.8
531K34Very low33.6Very low179 Ų179151 Ų15178%0.77879%0.791SS**  trans-134.6118.1-165.3-179.6-167.9171.8-165.50110.7
532I31Very low33.3Very low130 Ų130147.1 Ų147.167%0.66778%0.78SS**  trans33.9115.4143-45.3168.1000116.9
533A34.6Very low33.2Very low103 Ų103142.7 Ų142.785%0.85177%0.772SS**  -124.7123.6129.900000107.3
534N29.9Very low33.2Very low141 Ų141143.9 Ų143.975%0.75477%0.772SS**  trans-93.3146.7164.1-74.50.5000107.1
535D35.4Very low33.1Very low170 Ų170149 Ų14991%0.90978%0.777SS**  trans-146.6155.6140.5-109.8-38.5000110.5
536S30.7Very low33.1Very low101 Ų101150.8 Ų150.871%0.70679%0.786SS**  trans-98.6146.1-164.157.80000113.8
537L36.5Very low32.8Very low171 Ų171152.2 Ų152.290%0.89578%0.781SS**  trans-155.5153.2136.6-112.1156.4000111.7
538T31Very low32.9Very low109 Ų109151.5 Ų151.567%0.66979%0.788SS**  trans-101.6147-168.350.40000112.1
539N32.1Very low32.4Very low158 Ų158147.9 Ų147.985%0.84578%0.776SS**  -168.5143.5116.5-91.8-19000111.3
540S30.1Very low32.4Very low101 Ų101144.4 Ų144.471%0.70677%0.773SS**  trans-113.9141.5168.9-177.70000108.4
541V34.2Very low32.5Very low124 Ų124139.8 Ų139.875%0.75276%0.763SS**  trans-131.4104.3169.3179.80000107.1
542L30.4Very low32.4Very low131 Ų131136.4 Ų136.469%0.68676%0.762SS**  trans-72.3141.5156.7-9180.2000108D544L542-D544 WeakPolarHBondContact CD2-OD2 3.33Å
543C32.1Very low32.7Very low103 Ų103135.5 Ų135.570%0.69676%0.764SS**  trans-12177.9165-72.80000108.5
544D31.7Very low32.5Very low131 Ų131139.2 Ų139.270%0.70176%0.764SS**  trans-70.7134.8160.5-65.7-58.6000108.6L542L542-D544 WeakPolarHBondContact CD2-OD2 3.33Å
545Y34.7Very low32.7Very low224 Ų224140.3 Ų140.388%0.87877%0.769SS**  trans-118.191.4172.6-103.9-89.2000108.6
546E31Very low32.6Very low176 Ų176141.7 Ų141.782%0.82277%0.767SS**  trans-74.7138.2165-68.2-165.4126.600110V548E546-V548 HydrophobicContact CB-CG2 4.45Å
547Y30.4Very low32.6Very low207 Ų207139.7 Ų139.781%0.81276%0.762SS**  trans-93109.6173.1-178.6-92.9000108.5D549Y547-D549 HydrophobicContact CE1-CB 4Å
548V34.3Very low32.6Very low127 Ų127141.4 Ų141.477%0.7776%0.763SS**  trans-114.7121.3-180-176.90000109.4E546E546-V548 HydrophobicContact CB-CG2 4.45Å
549D28.7Very low32.6Very low123 Ų123140.7 Ų140.766%0.65876%0.762SS**  trans-127.6102-178.9-169.813.5000109.2Y547Y547-D549 HydrophobicContact CE1-CB 4Å
550S35.2Very low32.7Very low103 Ų103140.3 Ų140.372%0.7276%0.76SS**  trans-175.5119.7167.6-87.30000116.5
551V35.1Very low32.8Very low124 Ų124143.3 Ų143.375%0.75277%0.765SS**  65.793.5128.4-170.60000121.2
552S30.5Very low32.5Very low108 Ų108141.3 Ų141.376%0.75576%0.756SS**  68.4-176.8125.6-50.70000120.1
553P37.6Very low32.4Very low110 Ų110143 Ų14371%0.71476%0.761SS**  -135.8175.9-72.542.3-27.8000117.1
554Q30.4Very low32.2Very low181 Ų181144.5 Ų144.585%0.84676%0.762SS**  trans72.1127.3162.7-58.4-166.819.400120.7
555L34.9Very low32.2Very low165 Ų165149.5 Ų149.586%0.86477%0.773SS**  -159.8157119.1-118.7134.4000113.4
556K33.4Very low32Very low199 Ų199145.2 Ų145.287%0.86576%0.761SS**  trans-49.2161.3-176.2-60.9163.6178175.60115.4
557G31.2Very low32Very low58 Ų58145.2 Ų145.260%0.59876%0.758SS**  cis174.8-148.76.900000113
558F34.9Very low32Very low207 Ų207140.3 Ų140.391%0.90875%0.754SS**  trans71.4118.1-164.3-55.7-84000112.6
559S32.4Very low32.1Very low94 Ų94141.5 Ų141.566%0.65776%0.755SS**  cis76.8130.843.982.10000113.1
560D32.9Very low32.3Very low150 Ų150139.1 Ų139.180%0.80275%0.752SS**  cis-160.5175.71.6-143-39.9000110.6
561M32.1Very low32.1Very low164 Ų164144.3 Ų144.381%0.80876%0.757SS**  trans61161.4166.2-67.7178.561.400118.5
562S27.9Very low32.2Very low82 Ų82144.2 Ų144.257%0.57376%0.759SS**  168.7126.7-55.455.10000108.7
563Q29.5Very low32.2Very low166 Ų166146.8 Ų146.878%0.77676%0.759SS**  trans69.2143.8157.2-60.3-176.17.700120.7
564N28.2Very low32.2Very low135 Ų135148.9 Ų148.972%0.72276%0.764SS**  trans59.9120.3152.7-51.5-23.5000119.6
565Y31.8Very low32.2Very low236 Ų236146.9 Ų146.993%0.92576%0.759SS**  -158.6160.697.2-124.2-98.3000112.5
566E29.4Very low32.4Very low135 Ų135143.9 Ų143.963%0.63175%0.75SS**  trans-135.8164.1-176.8-169.1-160-128.800108.3
567K31.9Very low32.5Very low176 Ų176141.4 Ų141.477%0.76575%0.746SS**  trans73.1154.9175.1-57168.2174.5105.50113.6
568S30.4Very low32.4Very low104 Ų104144.7 Ų144.773%0.72775%0.749SS**  cis-154.6170.1-3.325.60000107.4
569I34.7Very low32.3Very low152 Ų152144 Ų14478%0.77974%0.742SS**  -165.1114.962.7-75171.5000106.1
570A33Very low32.2Very low72 Ų72147.9 Ų147.960%0.59575%0.747SS**  66108.8101.800000114.7
571Y31Very low32.2Very low212 Ų212146.5 Ų146.583%0.83174%0.74SS**  82.7154.482.4-75.6-54.3000113.3
572P38.4Very low32.4Very low123 Ų123145.8 Ų145.880%0.79973%0.734SS**  cis-120.9175.913.642.1-29.4000116.5
573E31.3Very low32.7Very low162 Ų162148 Ų14876%0.75775%0.745SS**  trans-85.4167.3168.5-50.8176.1131.300110.8
574D35.8Very low33Very low153 Ų153143.9 Ų143.982%0.81874%0.739SS**  -162.8165.1117.7-128.3-40000114.3
575N31.5Very low33.3Very low139 Ų139144.7 Ų144.774%0.74374%0.743SS**  trans-68156.9-161.1-88.8-79.7000118.5
576P38.4Very low33.4Very low103 Ų103138.4 Ų138.467%0.66973%0.734SS**  trans-88168.8169.538.6-36.1000112.8
577N34.9Very low33.6Very low146 Ų146138.7 Ų138.778%0.78175%0.745SS**  trans-165.5121.2151.3-101.2-40.9000116.3
578L29.2Very low33.7Very low128 Ų128135.3 Ų135.367%0.6775%0.75SS**  trans61.6157.4139.5-96.580000124.3
579Y32.9Very low33.7Very low193 Ų193140.1 Ų140.176%0.75776%0.758SS**  trans63.4118175.8-59.9-80.5000116.6
580K31.8Very low33.6Very low175 Ų175137.9 Ų137.976%0.76176%0.755SS**  cis95.5133.939.4-85.2-166.3172.7-1740113.2
581N32.8Very low33.5Very low120 Ų120143.7 Ų143.764%0.64277%0.766SS**  trans68.6150.1161.6-63.934.3000115.7
582E35.7Very low33.7Very low149 Ų149141.6 Ų141.670%0.69677%0.77SS**  cis-160.2151.1-15.7-116.1164.8155.900110.4
583T33.5Very low33.3Very low129 Ų129143 Ų14379%0.79177%0.77SS**  trans46.9144152.158.90000123.8
584A36.7Very low33.5Very low79 Ų79140.7 Ų140.765%0.65377%0.772SS**  trans108.5101.5136.600000120.5
585N34.1Very low33.3Very low152 Ų152138.7 Ų138.781%0.81377%0.77SS**  84.5152.9127.3-60.7-10.7000122.5
586S33.6Very low33.4Very low105 Ų105140 Ų14073%0.73478%0.776SS**  trans77.879.3155.3-57.70000119.9
587T33.3Very low32.9Very low140 Ų140141.3 Ų141.386%0.85978%0.783SS**  23.6110.2123.555.40000119.2
588A35.1Very low32.6Very low106 Ų106140.4 Ų140.488%0.87679%0.787SS**  trans-153.1153.9142.700000112.4
589F31Very low32.6Very low205 Ų205140.6 Ų140.690%0.89979%0.793SS**  trans-64.5176.8-169.8-110-112.6000118.3
590C32.1Very low32.6Very low104 Ų104137.1 Ų137.170%0.70379%0.794SS**  trans84.4101.2156.2-70.20000120.3
591K31.2Very low32.5Very low194 Ų194135 Ų13584%0.84380%0.796SS**  32.9127.5126.1-59.6-179.1179.2-177.30119.1
592N34.5Very low32.4Very low168 Ų168138.8 Ų138.890%0.89881%0.807SS**  trans-142.2153.8136.6-100-34.8000109.7
593D30.4Very low32.1Very low152 Ų152140.5 Ų140.581%0.81382%0.817SS**  trans-85.3-170.8179.7-74.6-68.9000112.6
594S35.6Very low31.9Very low114 Ų114139.1 Ų139.180%0.79782%0.819SS**  trans87118.6169.875.70000117.9
595S31Very low31.7Very low111 Ų111141.2 Ų141.278%0.77682%0.819SS**  trans-27.2140.7157.3520000117.5
596L32.8Very low31.7Very low167 Ų167145.2 Ų145.287%0.87482%0.823SS**  trans-149144.1135.5-110.7174.8000111.1
597T28.3Very low31.5Very low131 Ų131149.4 Ų149.480%0.80483%0.828SS**  trans-81.2149.617231.90000110.8
598C28.2Very low31.5Very low127 Ų127148.2 Ų148.286%0.85883%0.825SS**  trans-139.3126.5169.4-83.50000110.6
599T30Very low31.3Very low132 Ų132150.8 Ų150.881%0.8182%0.823SS**PPolyproline II helixtrans-86.7148.8166.337.70000110.3
600P33.1Very low31.3Very low120 Ų120151.1 Ų151.178%0.77983%0.825SS**PPolyproline II helixtrans-78.2137.8-175.430.7-34.7000112.5
601V30.3Very low31.4Very low131 Ų131154.9 Ų154.979%0.79483%0.829SS**PPolyproline II helixtrans-92.5124.6170.2175.70000109.4
602F29.3Very low31.6Very low199 Ų199150.1 Ų150.187%0.87382%0.82SS**PPolyproline II helixtrans-75.5127.1168.1-95.1-91.9000110.6
603M30.6Very low31.6Very low184 Ų184149.6 Ų149.691%0.90681%0.812SS**PPolyproline II helixtrans-89.8132.1167.5-65.9-17373.800110.4
604A29.5Very low31.9Very low100 Ų100147.6 Ų147.683%0.82680%0.801SS**  trans-150.9105.5170.800000111.6
605D32Very low31.9Very low124 Ų124147.7 Ų147.766%0.66379%0.793SS**  trans-163.5130.6148.9-166.225.6000111.6
606R34.7Very low32.2Very low235 Ų235151.5 Ų151.589%0.88779%0.79SS**  -179148.8114.6-96.3172.8-179.2-169.2-0.3112.6
607K29.5Very low32.5Very low194 Ų194148.5 Ų148.584%0.84378%0.779SS**  trans-115.3139.3-170.5-57.4164.5-174.4166.50111.6
608S33.4Very low32.7Very low114 Ų114149.9 Ų149.980%0.79778%0.782SS**  trans-159.8104.1151.156.90000108.7
609L29.4Very low33.1Very low161 Ų161147.2 Ų147.284%0.84378%0.776SS**  74103.970.1-172.279000113
610F32.4Very low33.4Very low212 Ų212146.5 Ų146.593%0.9378%0.776SS**  trans-145.6164.4153-112.6-83.5000110.9
611K34.2Very low33.4Very low183 Ų183146.1 Ų146.180%0.79677%0.772SS**  trans-92.6142.2-162.7-89.9179.8178.3-175.90113.5
612S33.6Very low33.8Very low93 Ų93149 Ų14965%0.6578%0.779SS**  54.6142.393.981.30000114.7
613E36.2Very low33.9Very low157 Ų157142.7 Ų142.773%0.73477%0.77SS**  cis-154.8163.841.8-75.1-179.457.400115.3
614N35.7Very low34.1Very low110 Ų110139.7 Ų139.759%0.58877%0.767SS**  trans43.3152.2135.9-56.1-26.4000121.7
615D36.1Very low34.1Very low116 Ų116140.1 Ų140.162%0.6276%0.764SS**  cis-143.1150.213.8-106.4-41.2000109.6
616R37Very low34.2Very low191 Ų191142 Ų14272%0.72177%0.774SS**  60139.483.3-64.8-165.7-175.7108.5-9.3115.4
617T38.1Very low34Very low105 Ų105136.9 Ų136.964%0.64477%0.768SS**  cis-166.1149.49.113.70000114.6
618N34.2Very low34.2Very low159 Ų159137 Ų13785%0.8577%0.769SS**  trans64.8147.2139.3-60.2-7.1000125.4
619G35.3Very low33.9Very low72 Ų72139.8 Ų139.874%0.74277%0.769SS**  trans121.299.1170.100000113
620S36Very low34.2Very low116 Ų116137.1 Ų137.181%0.81176%0.764SS**  cis68.2131.840.7-1010000114.1
621T34.8Very low34.2Very low113 Ų113134.4 Ų134.469%0.69375%0.754SS**  cis-162.9162.76.8-20.40000112.9
622M36.9Very low34.1Very low190 Ų190132.7 Ų132.794%0.93675%0.752SS**  trans66.7159.1159.3-62.3-170.6-178.200119
623G32Very low34.1Very low67 Ų67133.9 Ų133.969%0.69176%0.76SS**  cis165.9156.7-8.800000113.7
624S34.9Very low33.9Very low121 Ų121134.4 Ų134.485%0.84676%0.762SS**  trans62.1137.5-174.6-780000116.1
625S30.4Very low33.8Very low109 Ų109137.1 Ų137.176%0.76278%0.777SS**  cis79.8108.835.6-167.70000114.8
626L33.3Very low33.7Very low164 Ų164136.5 Ų136.586%0.85977%0.773SS**  trans-169.2158.5142.5-106172.9000110.3
627V31.2Very low33.8Very low127 Ų127136.5 Ų136.577%0.7778%0.783SS**  trans-112135.2-178.7177.60000109.8
628F33.9Very low33.6Very low196 Ų196138.9 Ų138.986%0.8679%0.786SS**  trans-152.2150.1162.4-103.6-74.5000112.6
629Q27.1Very low33.6Very low174 Ų174136.9 Ų136.981%0.81378%0.78SS**  trans-142.4115-179.1174.5-178-7.300109.4
630S34.3Very low33.6Very low104 Ų104141.1 Ų141.173%0.72779%0.786SS**  trans-160.596.7175.158.70000114.3
631H33.5Very low33.4Very low156 Ų156138.7 Ų138.772%0.72278%0.78SS**  37.5134.4125.2-78.6-81.7000123.5
632I31.4Very low33.3Very low146 Ų146139.5 Ų139.575%0.74979%0.788SS**  trans75115.4137.4-62.7164.3000118.5
633S34.2Very low32.9Very low118 Ų118139.7 Ų139.783%0.82578%0.78SS**  -164.1146.1111.3-780000111.7
634H30.8Very low32.9Very low168 Ų168144.9 Ų144.978%0.77878%0.784SS**  trans-78.1157.2165.4-98.4-109.3000109.9
635D34.4Very low32.8Very low167 Ų167144.4 Ų144.489%0.89377%0.772SS**  trans-146.5156.1135.7-136-29.7000111.6
636I34.7Very low32.8Very low104 Ų104146.9 Ų146.953%0.53377%0.771SS.*  trans-128.1127.6-164.6-63172.1000111.1
637M39Very low32.9Very low190 Ų190148 Ų14894%0.93678%0.775SS**  trans-133.1119.7159-78.2-64.8-85.900111
638H32.7Very low32.8Very low155 Ų155148.5 Ų148.572%0.71877%0.773SS**  trans-76.2152.9178-69.5-112.9000111.7
639T35.3Very low32.5Very low118 Ų118144.8 Ų144.872%0.72477%0.771SS**  178.7132.7104.527.80000113.5
640N35.3Very low32.9Very low160 Ų160142.4 Ų142.486%0.85677%0.771SS**  trans57.5134150.5-48.8-18.7000119.3
641G30.8Very low33Very low66 Ų66144.1 Ų144.168%0.6878%0.777SS**  cis148.5154.9-0.300000111.7
642C33Very low32.9Very low130 Ų130143.9 Ų143.988%0.87878%0.776SS**  trans68.6111.5-177.3-53.40000114.3
643Y28.2Very low33.1Very low194 Ų194145.1 Ų145.176%0.76178%0.784SS**  cis80.6149.229.5-145.2-75.8000114.3
644F31.6Very low33Very low175 Ų175145 Ų14577%0.76877%0.774SS**  trans78.9134.3-172.2-75.3-95.7000116.8
645D34.4Very low33.2Very low112 Ų112145.6 Ų145.660%0.59978%0.782SS**  cis-167.8168.5-31.7-115.66.5000110.8
646E30Very low32.9Very low160 Ų160142.3 Ų142.375%0.74877%0.772SS**  trans-72127.1171.6-178.8-176.3176.200112.3
647M34.9Very low32.8Very low189 Ų189143.3 Ų143.393%0.93178%0.783SS**  trans-145.9106.9157.3-81.9-154.5173.200112.8
648N29Very low32.3Very low137 Ų137142.1 Ų142.173%0.73378%0.775SS**  trans-77.9123.2159.8-82.9-64.6000110.3
649S27.1Very low32.1Very low117 Ų117140.6 Ų140.682%0.81878%0.777SS**  trans-174.4139.8140.8-86.10000112.5
650P37.4Very low31.8Very low125 Ų125140.4 Ų140.481%0.81278%0.78SS**  trans-87.8153.2174.135.9-33.9000112.2
651T34.9Very low31.5Very low139 Ų139140.5 Ų140.585%0.85378%0.781SS**  trans-130.3126.5161.953.50000109.7
652H32.6Very low31.7Very low152 Ų152142.8 Ų142.870%0.70479%0.786SS**  trans-57.1152.6171-73.8-107.3000111.3N654H652-N654 PolarHBondContact ND1-ND2 3.34Å; H652-N654 PolarHBondContact ND1-OD1 2.95Å
653D35.5Very low31.5Very low171 Ų171145.4 Ų145.491%0.91479%0.785SS**  -134.5131.6117.5-112.1-33.6000108.9
654N31.8Very low31.7Very low115 Ų115143.4 Ų143.462%0.61579%0.787SS**  trans-94.3144.2-176.1-59.5-51.8000110.2H652H652-N654 PolarHBondContact ND1-ND2 3.34Å; H652-N654 PolarHBondContact ND1-OD1 2.95Å
655L33.6Very low31.6Very low181 Ų181144.3 Ų144.395%0.94879%0.785SS**  trans-151.8116.1142.5-110.1168.3000109.5
656S28.7Very low31.4Very low99 Ų99146.7 Ų146.769%0.69279%0.791SS**  trans-108.1-156-178.753.60000110.4
657V32.3Very low31.5Very low125 Ų125144.6 Ų144.676%0.75879%0.794SS**  trans75.6100.5-173.5-169.50000111.3
658E28.3Very low31.3Very low165 Ų165139 Ų13977%0.77178%0.784SS**  cis77.5128.748.4-58.9-159.3117.100115.8
659T29.3Very low31.5Very low122 Ų122141.7 Ų141.775%0.74879%0.79SS**  trans32.3120.4150.159.90000120.3
660S29.9Very low32Very low114 Ų114143 Ų14380%0.79779%0.787SS**  178.8155.593.839.50000112.2
661D29.2Very low31.8Very low163 Ų163144.7 Ų144.787%0.87278%0.784SS**  trans-71.9133.5173.9-68.6-71.9000111.7
662S33.2Very low31.8Very low114 Ų114142.2 Ų142.280%0.79777%0.772SS**  trans-159.6112.6162.1-760000110.2
663H29.7Very low31.9Very low185 Ų185142.3 Ų142.386%0.85678%0.778SS**  trans-62.3146.9150.7-83-109.7000108.7
664L32.7Very low31.9Very low152 Ų152138.4 Ų138.480%0.79676%0.764SS**  trans171.4141.2134-89.5159.2000111.2
665W28.7Very low32.2Very low193 Ų193139.9 Ų139.973%0.73177%0.772SS**  trans-47.8153.9158.857.2-7.1000113.5
666F30.7Very low32.3Very low163 Ų163140.5 Ų140.572%0.71577%0.767SS**  -166.7173.576.1-121.2-69.8000113.8
667S31.1Very low32.7Very low116 Ų116140.9 Ų140.981%0.81177%0.769SS**  trans-103.1162-170-40.90000116.4
668G31.4Very low32.7Very low71 Ų71140 Ų14073%0.73276%0.764SS**  trans121.7158155.900000115.1
669K33.9Very low32.8Very low194 Ų194142.3 Ų142.384%0.84377%0.768SS**  cis-154.5172.1-1.6-65-172.3179.8175.40108.3
670L36.2Very low33.2Very low144 Ų144141.5 Ų141.575%0.75476%0.764SS**  cis-101-104.5-4.6-69.472.9000109.6
671E33.2Very low33.1Very low161 Ų161142.9 Ų142.975%0.75277%0.767SS**  cis-168.1151.4-15.6-146.6161.4104.100108.9
672S35.8Very low33.4Very low87 Ų87145 Ų14561%0.60877%0.765SS**  cis-153.1169.9-43.564.80000109.7
673N34.4Very low33.4Very low153 Ų153143.9 Ų143.982%0.81876%0.762SS**  trans62.7137.6175.2-63.6-27.6000118.8
674S36.4Very low33.9Very low89 Ų89142.3 Ų142.362%0.62276%0.755SS**  cis-164.6153.5-20.552.60000111.2
675N37.7Very low34Very low146 Ų146142.5 Ų142.578%0.78175%0.752SS**  trans68.2146.5163.4-55.8-38.4000119.8
676K35.4Very low34.4Very low194 Ų194139.2 Ų139.284%0.84375%0.749SS**  cis-167168.8-30.1-152.2171.3-179.8178.70109.6
677S36.5Very low34.6Very low107 Ų107136.4 Ų136.475%0.74874%0.744SS**  trans90.199.5175-1560000115.1
678T34.2Very low34.9Very low106 Ų106138 Ų13865%0.6574%0.744SS**  85101.263.9-61.70000111.5
679Y28.4Very low35.3Very low215 Ų215139 Ų13984%0.84374%0.74SS**  83.6158.463.6-70-49.1000113.5
680P38.8Very low35.6Very low104 Ų104137 Ų13768%0.67574%0.737SS**  cis-131.2-177.42.139.8-22.4000116.2
681V26.8Very low35.7Very low143 Ų143136.3 Ų136.387%0.86773%0.734SS**  trans-130.9147.8156.5172.30000107.6
682Y35.9Very low35.9Very low209 Ų209132.2 Ų132.282%0.8272%0.724SS**  trans-101.6147.8179.8-92.1-87.9000113.2
683A34.2Very low35.9Very low90 Ų90136.5 Ų136.574%0.74473%0.734SS**  trans-158.6149.217200000111.7
684H38.7Very low36Very low152 Ų152134.5 Ų134.570%0.70473%0.732SS**  trans-155.5125.7166-86.8-81.5000106.7
685Q36.7Very low36Very low156 Ų156138.4 Ų138.473%0.72975%0.745SS**  71.414385.4-70.2178.4-16.300113.7
686N36.2Very low35.6Very low124 Ų124137.5 Ų137.566%0.66375%0.745SS**  cis-159.2145.815.1-13725.1000115.2
687V35.5Very low35.8Very low103 Ų103134.4 Ų134.462%0.62474%0.743SS**  trans35.3161147.6-55.50000126.5
688D37.3Very low35.9Very low149 Ų149137.7 Ų137.780%0.79775%0.746SS**  trans79142.1156.7-61.9-26.4000120.7
689S40Very low36.1Very low92 Ų92140 Ų14064%0.64375%0.754SS**  cis-170.3145.6-17.3-173.20000112.1
690L39.9Very low36.6Very low152 Ų152135.3 Ų135.380%0.79675%0.749SS**  trans61.5153.1161.8-69.9164.6000118.9
691D37.7Very low36.2Very low130 Ų130136.2 Ų136.270%0.69576%0.758SS**  cis-153.6161.4-11-152.5-32000111.4
692S37.2Very low36.8Very low76 Ų76134.4 Ų134.453%0.53175%0.752SS.*  trans54.7113.4148-78.20000124.7
693Q36.4Very low36.9Very low176 Ų176130.8 Ų130.882%0.82275%0.752SS**  68.8106.4128.5-60.3173.969.500121.1
694S36.2Very low37.1Very low112 Ų112131.5 Ų131.578%0.78375%0.747SS**  177.8153.110545.60000114.7
695L36.2Very low36.8Very low170 Ų170127.5 Ų127.589%0.8974%0.736SS**  trans48.494.7158.1-70.8160.4000119.4
696T29.8Very low36.8Very low128 Ų128125.7 Ų125.779%0.78574%0.737SS**  trans-88.2125.4169510000112.8
697T38.9Very low36.9Very low129 Ų129125 Ų12579%0.79174%0.742SS**  trans-112.2127.2165.4-47.80000108.9L699T697-L699 PolarHBondContact O-N 3.11Å
698H38.8Very low37Very low175 Ų175124 Ų12481%0.8174%0.74SS**PPolyproline II helixtrans-76.9118.2-171.5-73.2-105.8000112.5
699L38.6Very low36.8Very low155 Ų155122.6 Ų122.681%0.81273%0.732SS**PPolyproline II helixtrans-83.9128.3159.4-83.179.8000109.6T697T697-L699 PolarHBondContact O-N 3.11Å
700P38.2Very low36.3Very low116 Ų116126 Ų12675%0.75374%0.743SS**PPolyproline II helixtrans-72.6128.9168.430-32.3000110S702P700-S702 PolarHBondContact O-N 2.95Å
701S32.2Very low36Very low123 Ų123123.5 Ų123.586%0.8673%0.73SS**  trans-72.798177.4-700000111.3T703S701-T703 PolarHBondContact O-N 2.89Å
702S38.7Very low35.7Very low106 Ų106120 Ų12074%0.74173%0.725SS**  trans-75.9100.1172.645.10000110.8P700 V704P700-S702 PolarHBondContact O-N 2.95Å; S702-V704 VanDerWaalsContact C-N 3.34Å; S702-V704 PolarHBondContact O-N 2.81Å
703T38.1Very low35.4Very low132 Ų132122.3 Ų122.381%0.8174%0.741SS**  trans-69.390.9171-48.30000110S701 S705S701-T703 PolarHBondContact O-N 2.89Å; T703-S705 PolarHBondContact O-N 3.12Å; T703-S705 VanDerWaalsContact O-N 3.15Å
704V37.5Very low35.4Very low106 Ų106122.2 Ų122.264%0.64274%0.738SS**  trans-55.8118176.6178.20000109.4S702 S708S702-V704 VanDerWaalsContact C-N 3.34Å; S702-V704 PolarHBondContact O-N 2.81Å; V704-S708 WeakPolarHBondContact CG1-OG 3.45Å
705S32.5Very low35.8Very low67 Ų67121.6 Ų121.647%0.46973%0.732SS.*  trans-76139.6173.3-64.60000109.3T703 S707T703-S705 PolarHBondContact O-N 3.12Å; T703-S705 VanDerWaalsContact O-N 3.15Å; S705-S707 PolarHBondContact O-N 3.01Å
706P38.3Very low36.7Very low118 Ų118117.8 Ų117.877%0.76671%0.708SS**THydrogen-bonded Turntrans-72.121.8-171.530.5-37.3000114.8
707S37.2Very low38.4Very low110 Ų110114 Ų11477%0.76969%0.686SS**THydrogen-bonded Turntrans-86.6-11.4172.947.50000113.6S705S705-S707 PolarHBondContact O-N 3.01Å
708S37.4Very low40.2Very low83 Ų83112.1 Ų112.158%0.5867%0.671SS**  trans-9933.2179.767.40000113.7V704 D710V704-S708 WeakPolarHBondContact CG1-OG 3.45Å; S708-D710 PolarHBondContact O-N 2.64Å; S708-D710 VanDerWaalsContact O-N 3.13Å
709L34.1Very low42.4Very low118 Ų118105 Ų10562%0.61864%0.64SS**  trans-7991.7170.6-73.5179.6000109.4L711L709-L711 HydrophobicContact CB-CD1 3.85Å; L709-L711 PolarHBondContact O-N 3.19Å; L709-L711 VanDerWaalsContact O-N 3.09Å
710D29.2Very low44.6Very low163 Ų163100.1 Ų100.187%0.87262%0.617SS**  trans-7487.1176.6-169.623.3000110.3S708S708-D710 PolarHBondContact O-N 2.64Å; S708-D710 VanDerWaalsContact O-N 3.13Å
711L32.6Very low46.9Very low100 Ų10098.5 Ų98.552%0.52460%0.599SS.*  trans-108.2105.6178.5-91.781.8000111.4L709 A733L709-L711 HydrophobicContact CB-CD1 3.85Å; L709-L711 PolarHBondContact O-N 3.19Å; L709-L711 VanDerWaalsContact O-N 3.09Å; L711-A733 HydrophobicContact CD2-CB 3.81Å
712G31.4Very low49.7Very low57 Ų5792.8 Ų92.859%0.58856%0.559SS**  trans70.5105.514500000116.9F714G712-F714 PolarHBondContact O-N 3Å
713S31.3Very low52.3Low125 Ų12591.3 Ų91.387%0.87455%0.545SS*.  trans-64.283.3176.4-56.60000114.4
714F37.4Very low55Low173 Ų17387.5 Ų87.576%0.75952%0.52SS*.  trans-127.2126.1156-76.4-82.7000109.6G712 F716G712-F714 PolarHBondContact O-N 3Å; F714-F716 VanDerWaalsContact C-N 3.33Å; F714-F716 PolarHBondContact O-N 2.92Å
715P44.2Very low57.7Low100 Ų10086.7 Ų86.765%0.64951%0.509SS*.  trans-73.591.7172.430.9-31.9000108.2P717P715-P717 WeakPolarHBondContact O-CD 3.27Å; P715-P717 VanDerWaalsContact O-N 3.14Å
716F55Low60.6Low89 Ų8986 Ų8639%0.3950%0.498SS..  trans-49.7121.8175.9-73.9-84.9000109.5F714 W722 Y730F714-F716 VanDerWaalsContact C-N 3.33Å; F714-F716 PolarHBondContact O-N 2.92Å; F716-W722 HydrophobicContact CB-CZ2 3.83Å; F716-W722 HydrophobicContact CD1-CH2 4.36Å; F716-W722 AromaticContact CD1-CZ2 3.86Å; F716-W722 HydrophobicContact CD1-CZ2 3.86Å; F716-W722 HydrophobicContact CG-CZ2 4.08Å; F716-Y730 HydrophobicContact CE1-CD2 4.47Å
717P64.4Low63.2Low50 Ų5080.4 Ų80.433%0.32546%0.462SS..  trans-68.7-176179.225-29000110.6P715 P719 W722 E726P715-P717 WeakPolarHBondContact O-CD 3.27Å; P715-P717 VanDerWaalsContact O-N 3.14Å; P717-P719 WeakPolarHBondContact O-CD 3.46Å; P717-W722 PolarHBondContact O-NE1 3.4Å; P717-E726 WeakPolarHBondContact CD-OE1 3.21Å
718N77.6Confident66Low88 Ų8877.7 Ų77.747%0.47144%0.435SS..  trans-52128.1174.8175.8-4.9000109.7T720 Q721N718-T720 VanDerWaalsContact CG-OG1 3.29Å; N718-T720 PolarHBondContact ND2-OG1 2.88Å; N718-T720 VanDerWaalsContact ND2-OG1 3.1Å; N718-T720 PolarHBondContact O-N 2.78Å; N718-T720 PolarHBondContact OD1-N 3.15Å; N718-T720 VanDerWaalsContact OD1-N 3.14Å; N718-T720 PolarHBondContact OD1-OG1 3.21Å; N718-Q721 HydrophobicContact CB-CG 4.35Å; N718-Q721 WeakPolarHBondContact O-CA 3.32Å; N718-Q721 WeakPolarHBondContact O-CB 3.45Å; N718-Q721 PolarHBondContact O-N 2.69Å
719P84.2Confident68.5Low25 Ų2577.8 Ų77.816%0.16243%0.429CS..THydrogen-bonded Turntrans-56.3-14.2-179.2-28.235.9000115.8P717 Q721 W722 G752 L756 L784P717-P719 WeakPolarHBondContact O-CD 3.46Å; P719-Q721 PolarHBondContact O-N 3.03Å; P719-W722 HydrophobicContact CB-CD2 4.24Å; P719-W722 HydrophobicContact CB-CZ2 4.21Å; P719-W722 HydrophobicContact CG-CH2 4.35Å; P719-W722 HydrophobicContact CG-CZ2 3.81Å; P719-G752 CarbonylContact O-C 3.43Å; P719-G752 WeakPolarHBondContact O-CA 3.34Å; P719-L756 HydrophobicContact CB-CD1 4.17Å; P719-L784 HydrophobicContact CB-CD2 4.23Å; P719-L784 HydrophobicContact CG-CD2 3.9Å
720T85.9Confident71.3Confident54 Ų5472.5 Ų72.533%0.33140%0.401SS..THydrogen-bonded Turntrans-771.6168.8680000114.4N718 Q753 L756N718-T720 VanDerWaalsContact CG-OG1 3.29Å; N718-T720 PolarHBondContact ND2-OG1 2.88Å; N718-T720 VanDerWaalsContact ND2-OG1 3.1Å; N718-T720 PolarHBondContact O-N 2.78Å; N718-T720 PolarHBondContact OD1-N 3.15Å; N718-T720 VanDerWaalsContact OD1-N 3.14Å; N718-T720 PolarHBondContact OD1-OG1 3.21Å; T720-Q753 WeakPolarHBondContact O-CG 3.38Å; T720-Q753 PolarHBondContact O-NE2 2.76Å; T720-L756 HydrophobicContact CG2-CD1 3.62Å
721Q85.2Confident74.3Confident82 Ų8264.8 Ų64.838%0.38336%0.359SS..SBendtrans-121.2-4.6-177.5-62.4173.4-34.700112.9F282 N718 P719 T723F282-Q721 VanDerWaalsContact CE2-NE2 3.28Å; N718-Q721 HydrophobicContact CB-CG 4.35Å; N718-Q721 WeakPolarHBondContact O-CA 3.32Å; N718-Q721 WeakPolarHBondContact O-CB 3.45Å; N718-Q721 PolarHBondContact O-N 2.69Å; P719-Q721 PolarHBondContact O-N 3.03Å; Q721-T723 PolarHBondContact O-N 2.77Å
722W91.5Very high77.1Confident2 Ų261.6 Ų61.61%0.00834%0.344CS..  trans-66129.9-177.3-66-1.7000111.6F716 P717 P719 E726 V727 Y730 G752 L755 L784 L789F716-W722 HydrophobicContact CB-CZ2 3.83Å; F716-W722 HydrophobicContact CD1-CH2 4.36Å; F716-W722 AromaticContact CD1-CZ2 3.86Å; F716-W722 HydrophobicContact CD1-CZ2 3.86Å; F716-W722 HydrophobicContact CG-CZ2 4.08Å; P717-W722 PolarHBondContact O-NE1 3.4Å; P719-W722 HydrophobicContact CB-CD2 4.24Å; P719-W722 HydrophobicContact CB-CZ2 4.21Å; P719-W722 HydrophobicContact CG-CH2 4.35Å; P719-W722 HydrophobicContact CG-CZ2 3.81Å; W722-E726 HydrophobicContact CB-CB 3.98Å; W722-E726 HydrophobicContact CG-CB 4.27Å; W722-V727 HydrophobicContact CB-CG2 4.05Å; W722-V727 HydrophobicContact CE3-CG2 4.22Å; W722-Y730 HydrophobicContact CE3-CG 4.49Å; W722-Y730 HydrophobicContact CH2-CD1 4.09Å; W722-Y730 AromaticContact CH2-CD2 3.41Å; W722-Y730 HydrophobicContact CH2-CD2 3.41Å; W722-Y730 VanDerWaalsContact CH2-CD2 3.41Å; W722-Y730 HydrophobicContact CH2-CE1 4.43Å; W722-Y730 AromaticContact CH2-CE2 3.78Å; W722-Y730 HydrophobicContact CH2-CE2 3.78Å; W722-Y730 AromaticContact CH2-CG 3.58Å; W722-Y730 HydrophobicContact CH2-CG 3.58Å; W722-Y730 HydrophobicContact CZ2-CD2 4.42Å; W722-Y730 AromaticContact CZ3-CD1 3.66Å; W722-Y730 HydrophobicContact CZ3-CD1 3.66Å; W722-Y730 AromaticContact CZ3-CD2 3.8Å; W722-Y730 HydrophobicContact CZ3-CD2 3.8Å; W722-Y730 HydrophobicContact CZ3-CE1 4.25Å; W722-Y730 HydrophobicContact CZ3-CE2 4.35Å; W722-Y730 AromaticContact CZ3-CG 3.42Å; W722-Y730 HydrophobicContact CZ3-CG 3.42Å; W722-Y730 VanDerWaalsContact CZ3-CG 3.42Å; W722-G752 PolarHBondContact O-N 3.14Å; W722-L755 HydrophobicContact CE3-CD2 4.03Å; W722-L755 HydrophobicContact CZ3-CD2 4.07Å; W722-L784 HydrophobicContact CH2-CD2 3.4Å; W722-L784 VanDerWaalsContact CH2-CD2 3.4Å; W722-L784 HydrophobicContact CZ2-CD2 4.15Å; W722-L784 HydrophobicContact CZ3-CD1 4.23Å; W722-L784 HydrophobicContact CZ3-CD2 3.85Å; W722-L789 HydrophobicContact CH2-CD1 4.08Å; W722-L789 HydrophobicContact CZ2-CD1 4.07Å
723T93.3Very high79.9Confident75 Ų7561 Ų6146%0.4633%0.333SS..  trans-65.7163.6166.260.40000111.6Q721 E725 E726 V727Q721-T723 PolarHBondContact O-N 2.77Å; T723-E725 PolarHBondContact O-N 2.8Å; T723-E726 WeakPolarHBondContact CB-OE2 3.31Å; T723-E726 WeakPolarHBondContact CG2-OE2 3.48Å; T723-E726 PolarHBondContact N-OE2 3.05Å; T723-E726 PolarHBondContact O-N 2.59Å; T723-E726 VanDerWaalsContact O-N 3.1Å; T723-E726 WeakPolarHBondContact OG1-CG 3.19Å; T723-E726 PolarHBondContact OG1-N 3.06Å; T723-E726 PolarHBondContact OG1-OE2 3.18Å; T723-V727 WeakPolarHBondContact O-CG2 3.32Å; T723-V727 PolarHBondContact O-N 3.4Å
724I95.2Very high82.6Confident53 Ų5360.5 Ų60.527%0.27231%0.312SS..Hα-helixtrans-56.7-35176.5-57.5158.9000111.2Y728 K746 E749 D751I724-Y728 WeakPolarHBondContact O-CB 3.42Å; I724-Y728 PolarHBondContact O-N 3.11Å; I724-K746 HydrophobicContact CG2-CB 4.3Å; I724-K746 HydrophobicContact CG2-CG 4.18Å; I724-E749 HydrophobicContact CD1-CB 3.85Å; I724-E749 HydrophobicContact CD1-CG 4.28Å; I724-D751 HydrophobicContact CG1-CB 4.36Å
725E93.9Very high85Confident89 Ų8954.1 Ų54.142%0.41629%0.286SS..Hα-helixtrans-72.2-39.4176.8-60.5-68-172.400112.4T723 V727 Y728 N729 K746T723-E725 PolarHBondContact O-N 2.8Å; E725-V727 VanDerWaalsContact C-N 3.34Å; E725-Y728 PolarHBondContact O-N 3.19Å; E725-N729 VanDerWaalsContact O-CB 3.29Å; E725-N729 WeakPolarHBondContact O-CB 3.36Å; E725-N729 PolarHBondContact O-N 3.11Å; E725-N729 PolarHBondContact O-ND2 2.91Å; E725-N729 VanDerWaalsContact O-ND2 3.12Å; E725-K746 WeakPolarHBondContact OE1-CE 3.09Å; E725-K746 IonicContact OE1-NZ 2.66Å; E725-K746 PolarHBondContact OE1-NZ 3.18Å; E725-K746 WeakPolarHBondContact OE2-CE 3.09Å; E725-K746 IonicContact OE2-NZ 2.62Å; E725-K746 PolarHBondContact OE2-NZ 2.97Å
726E92.6Very high87.1Confident53 Ų5353.2 Ų53.225%0.24829%0.288CS..Hα-helixtrans-64.9-37.7173.2-73.9164.4107.800111.9P717 W722 T723 Y730P717-E726 WeakPolarHBondContact CD-OE1 3.21Å; W722-E726 HydrophobicContact CB-CB 3.98Å; W722-E726 HydrophobicContact CG-CB 4.27Å; T723-E726 WeakPolarHBondContact CB-OE2 3.31Å; T723-E726 WeakPolarHBondContact CG2-OE2 3.48Å; T723-E726 PolarHBondContact N-OE2 3.05Å; T723-E726 PolarHBondContact O-N 2.59Å; T723-E726 VanDerWaalsContact O-N 3.1Å; T723-E726 WeakPolarHBondContact OG1-CG 3.19Å; T723-E726 PolarHBondContact OG1-N 3.06Å; T723-E726 PolarHBondContact OG1-OE2 3.18Å; E726-Y730 WeakPolarHBondContact O-CB 3.33Å; E726-Y730 PolarHBondContact O-N 3.33Å
727V94.1Very high88.9Confident0 Ų053.5 Ų53.50%030%0.297CS..Hα-helixtrans-61.5-48.5171.6171.80000110.9W722 T723 E725 Y730 I731 F745 L755W722-V727 HydrophobicContact CB-CG2 4.05Å; W722-V727 HydrophobicContact CE3-CG2 4.22Å; T723-V727 WeakPolarHBondContact O-CG2 3.32Å; T723-V727 PolarHBondContact O-N 3.4Å; E725-V727 VanDerWaalsContact C-N 3.34Å; V727-Y730 PolarHBondContact O-N 3.43Å; V727-I731 HydrophobicContact CG1-CD1 3.69Å; V727-I731 WeakPolarHBondContact O-CD1 3.3Å; V727-I731 WeakPolarHBondContact O-CG1 3.45Å; V727-I731 PolarHBondContact O-N 2.69Å; V727-F745 HydrophobicContact CG1-CD1 4.02Å; V727-L755 HydrophobicContact CG1-CD1 4.45Å; V727-L755 HydrophobicContact CG1-CD2 4.13Å; V727-L755 HydrophobicContact CG2-CB 4.47Å; V727-L755 HydrophobicContact CG2-CD2 4.03Å
728Y94.7Very high90.2Very high53 Ų5351.2 Ų51.221%0.20828%0.282CS..Hα-helixtrans-59.2-48.2177.4177.2-88.1000112.1I724 E725 I731 T732 L739 A742 E743 K746I724-Y728 WeakPolarHBondContact O-CB 3.42Å; I724-Y728 PolarHBondContact O-N 3.11Å; E725-Y728 PolarHBondContact O-N 3.19Å; Y728-I731 PolarHBondContact O-N 2.71Å; Y728-T732 HydrophobicContact CE1-CG2 4.2Å; Y728-T732 HydrophobicContact CE2-CG2 4.4Å; Y728-T732 WeakPolarHBondContact O-CG2 3.36Å; Y728-T732 PolarHBondContact O-N 2.96Å; Y728-T732 PolarHBondContact O-OG1 2.76Å; Y728-L739 WeakPolarHBondContact OH-CD1 3.49Å; Y728-A742 HydrophobicContact CD2-CB 3.64Å; Y728-A742 HydrophobicContact CE2-CB 3.83Å; Y728-A742 HydrophobicContact CG-CB 4.4Å; Y728-E743 HydrophobicContact CE2-CG 4.25Å; Y728-K746 HydrophobicContact CD2-CB 4.14Å; Y728-K746 HydrophobicContact CD2-CD 4.11Å; Y728-K746 HydrophobicContact CG-CD 4.39Å
729N91.6Very high90.9Very high84 Ų8450.6 Ų50.645%0.44928%0.278SS..Hα-helixtrans-65.3-42.7179.4-70.9-28.9000111.7E725 I731 T732 A733E725-N729 VanDerWaalsContact O-CB 3.29Å; E725-N729 WeakPolarHBondContact O-CB 3.36Å; E725-N729 PolarHBondContact O-N 3.11Å; E725-N729 PolarHBondContact O-ND2 2.91Å; E725-N729 VanDerWaalsContact O-ND2 3.12Å; N729-I731 PolarHBondContact O-N 2.82Å; N729-T732 PolarHBondContact O-OG1 3.36Å; N729-A733 WeakPolarHBondContact O-CB 3.46Å; N729-A733 PolarHBondContact O-N 3.32Å
730Y91.6Very high91.3Very high8 Ų853.5 Ų53.53%0.03129%0.289CS..Hα-helixtrans-59.7-47.3175.3171.5-94000111.9F716 W722 E726 V727 R734 L780 L784 L789F716-Y730 HydrophobicContact CE1-CD2 4.47Å; W722-Y730 HydrophobicContact CE3-CG 4.49Å; W722-Y730 HydrophobicContact CH2-CD1 4.09Å; W722-Y730 AromaticContact CH2-CD2 3.41Å; W722-Y730 HydrophobicContact CH2-CD2 3.41Å; W722-Y730 VanDerWaalsContact CH2-CD2 3.41Å; W722-Y730 HydrophobicContact CH2-CE1 4.43Å; W722-Y730 AromaticContact CH2-CE2 3.78Å; W722-Y730 HydrophobicContact CH2-CE2 3.78Å; W722-Y730 AromaticContact CH2-CG 3.58Å; W722-Y730 HydrophobicContact CH2-CG 3.58Å; W722-Y730 HydrophobicContact CZ2-CD2 4.42Å; W722-Y730 AromaticContact CZ3-CD1 3.66Å; W722-Y730 HydrophobicContact CZ3-CD1 3.66Å; W722-Y730 AromaticContact CZ3-CD2 3.8Å; W722-Y730 HydrophobicContact CZ3-CD2 3.8Å; W722-Y730 HydrophobicContact CZ3-CE1 4.25Å; W722-Y730 HydrophobicContact CZ3-CE2 4.35Å; W722-Y730 AromaticContact CZ3-CG 3.42Å; W722-Y730 HydrophobicContact CZ3-CG 3.42Å; W722-Y730 VanDerWaalsContact CZ3-CG 3.42Å; E726-Y730 WeakPolarHBondContact O-CB 3.33Å; E726-Y730 PolarHBondContact O-N 3.33Å; V727-Y730 PolarHBondContact O-N 3.43Å; Y730-R734 WeakPolarHBondContact O-CB 3.17Å; Y730-R734 PolarHBondContact O-N 3.23Å; Y730-L780 HydrophobicContact CE1-CB 4.44Å; Y730-L784 HydrophobicContact CE1-CD1 3.98Å; Y730-L784 HydrophobicContact CE1-CD2 4.4Å; Y730-L784 HydrophobicContact CE1-CG 4.4Å; Y730-L784 HydrophobicContact CE2-CD2 4.39Å; Y730-L789 HydrophobicContact CE2-CD1 4.25Å; Y730-L789 HydrophobicContact CE2-CD2 3.78Å; Y730-L789 WeakPolarHBondContact OH-CD2 3.43Å
731I92.5Very high91.6Very high0 Ų051.1 Ų51.10%028%0.275CS..Hα-helixtrans-63.3-49.3-178.4-65.8162.1000110.5V727 Y728 N729 R734 D735 L738 A742 F745 M777V727-I731 HydrophobicContact CG1-CD1 3.69Å; V727-I731 WeakPolarHBondContact O-CD1 3.3Å; V727-I731 WeakPolarHBondContact O-CG1 3.45Å; V727-I731 PolarHBondContact O-N 2.69Å; Y728-I731 PolarHBondContact O-N 2.71Å; N729-I731 PolarHBondContact O-N 2.82Å; I731-R734 PolarHBondContact O-N 2.92Å; I731-D735 PolarHBondContact O-N 2.65Å; I731-L738 HydrophobicContact CG2-CB 3.68Å; I731-L738 HydrophobicContact CG2-CD1 4.26Å; I731-A742 HydrophobicContact CB-CB 4.15Å; I731-A742 HydrophobicContact CG2-CB 3.91Å; I731-F745 HydrophobicContact CD1-CD1 3.67Å; I731-F745 HydrophobicContact CD1-CE1 4.08Å; I731-F745 HydrophobicContact CD1-CG 4.2Å; I731-M777 HydrophobicContact CD1-CE 3.44Å; I731-M777 VanDerWaalsContact CD1-CE 3.44Å; I731-M777 HydrophobicContact CD1-SD 4.42Å; I731-M777 HydrophobicContact CG1-CE 3.78Å; I731-M777 HydrophobicContact CG1-SD 4.33Å; I731-M777 HydrophobicContact CG2-CE 4.3Å; I731-M777 HydrophobicContact CG2-SD 3.86Å
732T92.3Very high92Very high33 Ų3347.2 Ų47.220%0.20226%0.257CS..Hα-helixtrans-68.3-37.4-17751.20000112.7Y728 N729 A736 L739 A742Y728-T732 HydrophobicContact CE1-CG2 4.2Å; Y728-T732 HydrophobicContact CE2-CG2 4.4Å; Y728-T732 WeakPolarHBondContact O-CG2 3.36Å; Y728-T732 PolarHBondContact O-N 2.96Å; Y728-T732 PolarHBondContact O-OG1 2.76Å; N729-T732 PolarHBondContact O-OG1 3.36Å; T732-A736 PolarHBondContact O-N 2.69Å; T732-L739 HydrophobicContact CG2-CD1 3.72Å; T732-A742 HydrophobicContact CG2-CB 3.7Å
733A89Confident92.2Very high44 Ų4452 Ų5236%0.36428%0.279SS..Hα-helixtrans-69.3-30.8174.500000113.4L711 N729L711-A733 HydrophobicContact CD2-CB 3.81Å; N729-A733 WeakPolarHBondContact O-CB 3.46Å; N729-A733 PolarHBondContact O-N 3.32Å
734R87.6Confident92.2Very high115 Ų11551.2 Ų51.243%0.43427%0.269SS..Hα-helixtrans-84.6-31.4-179.9-134.968.7167.1123.7-13.4113.7Y730 I731 L780Y730-R734 WeakPolarHBondContact O-CB 3.17Å; Y730-R734 PolarHBondContact O-N 3.23Å; I731-R734 PolarHBondContact O-N 2.92Å; R734-L780 HydrophobicContact CB-CD2 4.15Å; R734-L780 HydrophobicContact CG-CD2 3.89Å
735D88.9Confident92.2Very high39 Ų3948.7 Ų48.721%0.20926%0.257CS..  trans-157.799.8175-171.7-24.6000111.4I731 T737 L738 K776I731-D735 PolarHBondContact O-N 2.65Å; D735-T737 PolarHBondContact O-N 3.49Å; D735-T737 WeakPolarHBondContact OD1-CB 3.17Å; D735-T737 PolarHBondContact OD1-N 3.4Å; D735-T737 PolarHBondContact OD1-OG1 2.94Å; D735-L738 HydrophobicContact CB-CD1 3.78Å; D735-L738 HydrophobicContact CB-CG 3.96Å; D735-L738 WeakPolarHBondContact O-CB 3.38Å; D735-L738 PolarHBondContact O-N 3.36Å; D735-K776 IonicContact OD1-NZ 3.32Å; D735-K776 PolarHBondContact OD1-NZ 3.22Å; D735-K776 VanDerWaalsContact OD2-CD 3.31Å; D735-K776 WeakPolarHBondContact OD2-CD 3.12Å; D735-K776 VanDerWaalsContact OD2-CE 3.32Å; D735-K776 WeakPolarHBondContact OD2-CE 3.45Å; D735-K776 IonicContact OD2-NZ 3.39Å; D735-K776 PolarHBondContact OD2-NZ 3.44Å
736A88.7Confident92.2Very high82 Ų8248.6 Ų48.668%0.67826%0.255SS*.G310 helixtrans-58.2-18.6-179.800000114.3T732 L738 L739T732-A736 PolarHBondContact O-N 2.69Å; A736-L738 PolarHBondContact O-N 3.38Å; A736-L739 PolarHBondContact O-N 3.23Å
737T91.8Very high92.3Very high95 Ų9553.1 Ų53.158%0.58328%0.275SS*.G310 helixtrans-74.2-2.8174.4720000113.5D735 K776D735-T737 PolarHBondContact O-N 3.49Å; D735-T737 WeakPolarHBondContact OD1-CB 3.17Å; D735-T737 PolarHBondContact OD1-N 3.4Å; D735-T737 PolarHBondContact OD1-OG1 2.94Å; T737-K776 PolarHBondContact OG1-NZ 2.84Å
738L92.5Very high92.3Very high1 Ų157.3 Ų57.31%0.00530%0.295CS..G310 helixtrans-99.110.5177.6-57.4179.9000113.6I731 D735 A736 E740 A741 A742 P773 K776 M777 L780I731-L738 HydrophobicContact CG2-CB 3.68Å; I731-L738 HydrophobicContact CG2-CD1 4.26Å; D735-L738 HydrophobicContact CB-CD1 3.78Å; D735-L738 HydrophobicContact CB-CG 3.96Å; D735-L738 WeakPolarHBondContact O-CB 3.38Å; D735-L738 PolarHBondContact O-N 3.36Å; A736-L738 PolarHBondContact O-N 3.38Å; L738-E740 PolarHBondContact O-N 3.24Å; L738-A741 CarbonylContact O-C 3.34Å; L738-A741 WeakPolarHBondContact O-CA 3.2Å; L738-A741 WeakPolarHBondContact O-CB 3.4Å; L738-A741 PolarHBondContact O-N 2.92Å; L738-A742 PolarHBondContact O-N 2.88Å; L738-P773 HydrophobicContact CD2-CB 3.78Å; L738-K776 HydrophobicContact CD1-CB 4Å; L738-K776 HydrophobicContact CD2-CB 3.9Å; L738-K776 HydrophobicContact CD2-CD 3.79Å; L738-K776 HydrophobicContact CD2-CG 4.49Å; L738-K776 HydrophobicContact CG-CD 4.38Å; L738-M777 HydrophobicContact CD1-SD 3.74Å; L738-L780 HydrophobicContact CD1-CD1 3.68Å
739L92.3Very high92.3Very high75 Ų7561.9 Ų61.939%0.39332%0.318SS..Hα-helixtrans-52.1-49.2178.9-172.564000112.9Y728 T732 A736 A741 A742 E743Y728-L739 WeakPolarHBondContact OH-CD1 3.49Å; T732-L739 HydrophobicContact CG2-CD1 3.72Å; A736-L739 PolarHBondContact O-N 3.23Å; L739-A741 PolarHBondContact O-N 3.12Å; L739-A742 PolarHBondContact O-N 2.77Å; L739-E743 WeakPolarHBondContact O-CG 3.34Å; L739-E743 PolarHBondContact O-N 3.43Å
740E91.8Very high92.5Very high87 Ų8758.7 Ų58.741%0.40730%0.301SS..Hα-helixtrans-58-23.6175.8-160.6-147.1120.300112.9L738 K744 K770L738-E740 PolarHBondContact O-N 3.24Å; E740-K744 VanDerWaalsContact O-CD 3.26Å; E740-K744 WeakPolarHBondContact O-CD 3.39Å; E740-K744 VanDerWaalsContact O-CG 3.29Å; E740-K744 WeakPolarHBondContact O-CG 3.17Å; E740-K744 IonicContact OE1-NZ 3.45Å; E740-K744 PolarHBondContact OE1-NZ 3.31Å; E740-K770 IonicContact OE2-NZ 2.72Å; E740-K770 PolarHBondContact OE2-NZ 2.89Å
741A92.5Very high92.6Very high3 Ų360.8 Ų60.83%0.02531%0.313CS..Hα-helixtrans-89.6-39.3175.400000111.8L738 L739 K744 F745 I769 M777L738-A741 CarbonylContact O-C 3.34Å; L738-A741 WeakPolarHBondContact O-CA 3.2Å; L738-A741 WeakPolarHBondContact O-CB 3.4Å; L738-A741 PolarHBondContact O-N 2.92Å; L739-A741 PolarHBondContact O-N 3.12Å; A741-K744 PolarHBondContact O-N 3.24Å; A741-F745 WeakPolarHBondContact O-CD2 3.47Å; A741-F745 PolarHBondContact O-N 3.41Å; A741-I769 HydrophobicContact CB-CD1 4.16Å; A741-M777 HydrophobicContact CB-CG 4.45Å
742A94.1Very high92.6Very high0 Ų060.8 Ų60.80%031%0.313CS..Hα-helixtrans-62.6-43.3174.900000111.6Y728 I731 T732 L738 L739 K744 F745 K746Y728-A742 HydrophobicContact CD2-CB 3.64Å; Y728-A742 HydrophobicContact CE2-CB 3.83Å; Y728-A742 HydrophobicContact CG-CB 4.4Å; I731-A742 HydrophobicContact CB-CB 4.15Å; I731-A742 HydrophobicContact CG2-CB 3.91Å; T732-A742 HydrophobicContact CG2-CB 3.7Å; L738-A742 PolarHBondContact O-N 2.88Å; L739-A742 PolarHBondContact O-N 2.77Å; A742-K744 VanDerWaalsContact C-N 3.31Å; A742-K744 PolarHBondContact O-N 3.48Å; A742-F745 WeakPolarHBondContact O-CB 3.18Å; A742-F745 PolarHBondContact O-N 2.85Å; A742-F745 VanDerWaalsContact O-N 3.13Å; A742-K746 PolarHBondContact O-N 3.43Å
743E94.4Very high92.4Very high103 Ų10364.7 Ų64.748%0.48133%0.329SS..Hα-helixtrans-57.4-42.5172.8-70.9172.3162.900111.9Y728 L739 K746 H747Y728-E743 HydrophobicContact CE2-CG 4.25Å; L739-E743 WeakPolarHBondContact O-CG 3.34Å; L739-E743 PolarHBondContact O-N 3.43Å; E743-K746 PolarHBondContact O-N 2.56Å; E743-H747 WeakPolarHBondContact O-CB 3.25Å; E743-H747 PolarHBondContact O-N 2.98Å
744K93.7Very high92.6Very high58 Ų5863.9 Ų63.925%0.25232%0.322SS..Hα-helixtrans-67.6-34.6175.5-73.9171.8-175.9173.30112.8E740 A741 A742 H748 I769E740-K744 VanDerWaalsContact O-CD 3.26Å; E740-K744 WeakPolarHBondContact O-CD 3.39Å; E740-K744 VanDerWaalsContact O-CG 3.29Å; E740-K744 WeakPolarHBondContact O-CG 3.17Å; E740-K744 IonicContact OE1-NZ 3.45Å; E740-K744 PolarHBondContact OE1-NZ 3.31Å; A741-K744 PolarHBondContact O-N 3.24Å; A742-K744 VanDerWaalsContact C-N 3.31Å; A742-K744 PolarHBondContact O-N 3.48Å; K744-H748 WeakPolarHBondContact O-CB 3.21Å; K744-H748 PolarHBondContact O-CD2 3.1Å; K744-H748 PolarHBondContact O-N 3.23Å; K744-I769 HydrophobicContact CD-CG1 4.47Å
745F94.9Very high92.9Very high1 Ų158.5 Ų58.50%0.00430%0.302CS..Hα-helixtrans-67.4-42.6174.7-84.8-137.4000110.8V727 I731 A741 A742 H748 E749 I750 L755 L758 L763 M767 I769 M777V727-F745 HydrophobicContact CG1-CD1 4.02Å; I731-F745 HydrophobicContact CD1-CD1 3.67Å; I731-F745 HydrophobicContact CD1-CE1 4.08Å; I731-F745 HydrophobicContact CD1-CG 4.2Å; A741-F745 WeakPolarHBondContact O-CD2 3.47Å; A741-F745 PolarHBondContact O-N 3.41Å; A742-F745 WeakPolarHBondContact O-CB 3.18Å; A742-F745 PolarHBondContact O-N 2.85Å; A742-F745 VanDerWaalsContact O-N 3.13Å; F745-H748 CarbonylContact O-C 3.6Å; F745-H748 PolarHBondContact O-N 2.76Å; F745-E749 PolarHBondContact O-N 2.66Å; F745-E749 VanDerWaalsContact O-N 3.07Å; F745-I750 HydrophobicContact CB-CB 3.99Å; F745-I750 HydrophobicContact CB-CG1 4.14Å; F745-I750 HydrophobicContact CD1-CB 3.86Å; F745-I750 HydrophobicContact CD1-CG1 4.21Å; F745-I750 HydrophobicContact CD1-CG2 3.56Å; F745-I750 HydrophobicContact CE1-CG2 3.98Å; F745-I750 HydrophobicContact CG-CB 4.07Å; F745-I750 HydrophobicContact CG-CG1 4.07Å; F745-I750 HydrophobicContact CG-CG2 4.26Å; F745-I750 PolarHBondContact O-N 2.79Å; F745-L755 HydrophobicContact CD1-CD1 4.34Å; F745-L755 HydrophobicContact CE1-CD1 3.69Å; F745-L758 HydrophobicContact CD1-CD1 4.29Å; F745-L758 HydrophobicContact CE1-CD1 3.37Å; F745-L758 HydrophobicContact CE2-CD1 4.18Å; F745-L758 HydrophobicContact CZ-CD1 3.31Å; F745-L763 HydrophobicContact CE2-CD2 3.75Å; F745-L763 HydrophobicContact CZ-CD2 3.6Å; F745-M767 HydrophobicContact CD2-SD 3.74Å; F745-M767 HydrophobicContact CE2-CE 4.09Å; F745-M767 HydrophobicContact CE2-SD 3.55Å; F745-M767 VanDerWaalsContact CE2-SD 3.55Å; F745-M767 HydrophobicContact CZ-CE 4.45Å; F745-M767 HydrophobicContact CZ-SD 4.44Å; F745-I769 HydrophobicContact CE2-CD1 3.91Å; F745-M777 HydrophobicContact CD1-CE 4.09Å; F745-M777 HydrophobicContact CE1-CE 3.31Å; F745-M777 HydrophobicContact CE2-CE 4.02Å; F745-M777 HydrophobicContact CZ-CE 3.25Å
746K94.9Very high93Very high86 Ų8658.2 Ų58.237%0.37430%0.3SS..Hα-helixtrans-63.1-42.5174.1-174.6166.2-178.1162.90112.2I724 E725 Y728 A742 E743 H748 E749I724-K746 HydrophobicContact CG2-CB 4.3Å; I724-K746 HydrophobicContact CG2-CG 4.18Å; E725-K746 WeakPolarHBondContact OE1-CE 3.09Å; E725-K746 IonicContact OE1-NZ 2.66Å; E725-K746 PolarHBondContact OE1-NZ 3.18Å; E725-K746 WeakPolarHBondContact OE2-CE 3.09Å; E725-K746 IonicContact OE2-NZ 2.62Å; E725-K746 PolarHBondContact OE2-NZ 2.97Å; Y728-K746 HydrophobicContact CD2-CB 4.14Å; Y728-K746 HydrophobicContact CD2-CD 4.11Å; Y728-K746 HydrophobicContact CG-CD 4.39Å; A742-K746 PolarHBondContact O-N 3.43Å; E743-K746 PolarHBondContact O-N 2.56Å; K746-H748 VanDerWaalsContact C-N 3.31Å; K746-H748 PolarHBondContact O-N 2.97Å; K746-E749 PolarHBondContact O-N 3.29Å
747H93.9Very high93.1Very high148 Ų14861.2 Ų61.269%0.68530%0.304SS*.Hα-helixtrans-68-26.3175.3179.960.5000114.1E743E743-H747 WeakPolarHBondContact O-CB 3.25Å; E743-H747 PolarHBondContact O-N 2.98Å
748H94.2Very high93.1Very high89 Ų8957.7 Ų57.741%0.41228%0.282SS..THydrogen-bonded Turntrans-99.316175.1-69.2-50.1000113.4K744 F745 K746 I750K744-H748 WeakPolarHBondContact O-CB 3.21Å; K744-H748 PolarHBondContact O-CD2 3.1Å; K744-H748 PolarHBondContact O-N 3.23Å; F745-H748 CarbonylContact O-C 3.6Å; F745-H748 PolarHBondContact O-N 2.76Å; K746-H748 VanDerWaalsContact C-N 3.31Å; K746-H748 PolarHBondContact O-N 2.97Å; H748-I750 HydrophobicContact CB-CD1 4.18Å; H748-I750 HydrophobicContact CB-CG1 4.03Å; H748-I750 PolarHBondContact O-N 2.91Å; H748-I750 VanDerWaalsContact O-N 3.12Å
749E95.2Very high93Very high149 Ų14960 Ų6070%0.69630%0.297SS*.THydrogen-bonded Turntrans52.735.7175-57.6-179.1137.300113.6I724 F745 K746 D751I724-E749 HydrophobicContact CD1-CB 3.85Å; I724-E749 HydrophobicContact CD1-CG 4.28Å; F745-E749 PolarHBondContact O-N 2.66Å; F745-E749 VanDerWaalsContact O-N 3.07Å; K746-E749 PolarHBondContact O-N 3.29Å; E749-D751 PolarHBondContact O-N 3.39Å
750I94.9Very high93Very high17 Ų1759 Ų599%0.08729%0.292CS..  trans-74.297-178.4-54.9-61.5000109.7F745 H748 A754 L755 L758F745-I750 HydrophobicContact CB-CB 3.99Å; F745-I750 HydrophobicContact CB-CG1 4.14Å; F745-I750 HydrophobicContact CD1-CB 3.86Å; F745-I750 HydrophobicContact CD1-CG1 4.21Å; F745-I750 HydrophobicContact CD1-CG2 3.56Å; F745-I750 HydrophobicContact CE1-CG2 3.98Å; F745-I750 HydrophobicContact CG-CB 4.07Å; F745-I750 HydrophobicContact CG-CG1 4.07Å; F745-I750 HydrophobicContact CG-CG2 4.26Å; F745-I750 PolarHBondContact O-N 2.79Å; H748-I750 HydrophobicContact CB-CD1 4.18Å; H748-I750 HydrophobicContact CB-CG1 4.03Å; H748-I750 PolarHBondContact O-N 2.91Å; H748-I750 VanDerWaalsContact O-N 3.12Å; I750-A754 HydrophobicContact CD1-CB 4.25Å; I750-A754 HydrophobicContact CG2-CB 3.94Å; I750-L755 HydrophobicContact CG2-CB 4.15Å; I750-L758 HydrophobicContact CG2-CD1 4Å
751D94.2Very high92.9Very high52 Ų5260.7 Ų60.728%0.27830%0.299SS..  trans-74.7179.9168.187.1-41.9000112.1I724 E749 Q753 A754 L755I724-D751 HydrophobicContact CG1-CB 4.36Å; E749-D751 PolarHBondContact O-N 3.39Å; D751-Q753 VanDerWaalsContact C-N 3.32Å; D751-Q753 PolarHBondContact O-N 3.34Å; D751-Q753 PolarHBondContact OD1-N 3.05Å; D751-Q753 WeakPolarHBondContact OD2-CB 3.34Å; D751-Q753 PolarHBondContact OD2-N 3.05Å; D751-A754 PolarHBondContact O-N 2.79Å; D751-A754 WeakPolarHBondContact OD1-CB 3.34Å; D751-A754 PolarHBondContact OD1-N 3.24Å; D751-L755 VanDerWaalsContact O-CB 3.25Å; D751-L755 WeakPolarHBondContact O-CB 3.46Å; D751-L755 PolarHBondContact O-N 3.09Å
752G92.2Very high92.8Very high0 Ų061.9 Ų61.90%031%0.308CS..Hα-helixtrans-61.4-34.6178.400000114.3P719 W722 L756P719-G752 CarbonylContact O-C 3.43Å; P719-G752 WeakPolarHBondContact O-CA 3.34Å; W722-G752 PolarHBondContact O-N 3.14Å; G752-L756 WeakPolarHBondContact O-CG 3.46Å; G752-L756 PolarHBondContact O-N 2.92Å
753Q89.4Confident92.7Very high114 Ų11461.9 Ų61.953%0.53331%0.308SS..Hα-helixtrans-71.4-46.8177.6-57.7-168.819.300111T720 D751 L755 L756 L757T720-Q753 WeakPolarHBondContact O-CG 3.38Å; T720-Q753 PolarHBondContact O-NE2 2.76Å; D751-Q753 VanDerWaalsContact C-N 3.32Å; D751-Q753 PolarHBondContact O-N 3.34Å; D751-Q753 PolarHBondContact OD1-N 3.05Å; D751-Q753 WeakPolarHBondContact OD2-CB 3.34Å; D751-Q753 PolarHBondContact OD2-N 3.05Å; Q753-L755 PolarHBondContact O-N 2.98Å; Q753-L756 PolarHBondContact O-N 3.49Å; Q753-L757 WeakPolarHBondContact O-CG 3.27Å; Q753-L757 PolarHBondContact O-N 3.23Å
754A93.1Very high92.6Very high28 Ų2862.8 Ų62.823%0.23131%0.307CS..Hα-helixtrans-59.1-45.3173.600000111.4I750 D751 L756 L757 L758I750-A754 HydrophobicContact CD1-CB 4.25Å; I750-A754 HydrophobicContact CG2-CB 3.94Å; D751-A754 PolarHBondContact O-N 2.79Å; D751-A754 WeakPolarHBondContact OD1-CB 3.34Å; D751-A754 PolarHBondContact OD1-N 3.24Å; A754-L756 PolarHBondContact O-N 2.86Å; A754-L757 CarbonylContact O-C 3.39Å; A754-L757 WeakPolarHBondContact O-CA 3.31Å; A754-L757 PolarHBondContact O-N 3.13Å; A754-L758 WeakPolarHBondContact O-CG 3.48Å; A754-L758 PolarHBondContact O-N 3.21Å
755L93.8Very high92.3Very high2 Ų263.7 Ų63.71%0.0132%0.315CS..Hα-helixtrans-52.1-41.8174.8174.766.9000112.1W722 V727 F745 I750 D751 Q753 M777 I781 L784W722-L755 HydrophobicContact CE3-CD2 4.03Å; W722-L755 HydrophobicContact CZ3-CD2 4.07Å; V727-L755 HydrophobicContact CG1-CD1 4.45Å; V727-L755 HydrophobicContact CG1-CD2 4.13Å; V727-L755 HydrophobicContact CG2-CB 4.47Å; V727-L755 HydrophobicContact CG2-CD2 4.03Å; F745-L755 HydrophobicContact CD1-CD1 4.34Å; F745-L755 HydrophobicContact CE1-CD1 3.69Å; I750-L755 HydrophobicContact CG2-CB 4.15Å; D751-L755 VanDerWaalsContact O-CB 3.25Å; D751-L755 WeakPolarHBondContact O-CB 3.46Å; D751-L755 PolarHBondContact O-N 3.09Å; Q753-L755 PolarHBondContact O-N 2.98Å; L755-M777 HydrophobicContact CD1-CE 4.47Å; L755-I781 HydrophobicContact CD1-CD1 3.99Å; L755-I781 HydrophobicContact CD1-CG1 3.65Å; L755-I781 HydrophobicContact CG-CG1 4.29Å; L755-L784 HydrophobicContact CD2-CD1 3.65Å; L755-L784 HydrophobicContact CG-CD1 4.19Å
756L91Very high92Very high32 Ų3272.3 Ų72.317%0.16835%0.348CS..Hα-helixtrans-76.2-19.6176.1-67.6171000113.4P719 T720 G752 Q753 A754 L784 K785P719-L756 HydrophobicContact CB-CD1 4.17Å; T720-L756 HydrophobicContact CG2-CD1 3.62Å; G752-L756 WeakPolarHBondContact O-CG 3.46Å; G752-L756 PolarHBondContact O-N 2.92Å; Q753-L756 PolarHBondContact O-N 3.49Å; A754-L756 PolarHBondContact O-N 2.86Å; L756-L784 HydrophobicContact CD2-CB 4.05Å; L756-K785 HydrophobicContact CD2-CG 3.8Å; L756-K785 WeakPolarHBondContact O-CE 3.29Å; L756-K785 PolarHBondContact O-NZ 2.89Å
757L91.1Very high91.7Very high145 Ų14569 Ų6976%0.75933%0.334SS*.Hα-helixtrans-88.3-18174.1-66.3174000113.4Q753 A754Q753-L757 WeakPolarHBondContact O-CG 3.27Å; Q753-L757 PolarHBondContact O-N 3.23Å; A754-L757 CarbonylContact O-C 3.39Å; A754-L757 WeakPolarHBondContact O-CA 3.31Å; A754-L757 PolarHBondContact O-N 3.13Å
758L91.8Very high91.6Very high22 Ų2270 Ų7012%0.11534%0.337CS..  trans-59.5137.2-177.4-75.5179.3000114.2F745 I750 A754 L763 M767 I781F745-L758 HydrophobicContact CD1-CD1 4.29Å; F745-L758 HydrophobicContact CE1-CD1 3.37Å; F745-L758 HydrophobicContact CE2-CD1 4.18Å; F745-L758 HydrophobicContact CZ-CD1 3.31Å; I750-L758 HydrophobicContact CG2-CD1 4Å; A754-L758 WeakPolarHBondContact O-CG 3.48Å; A754-L758 PolarHBondContact O-N 3.21Å; L758-L763 HydrophobicContact CD1-CD2 4.26Å; L758-M767 HydrophobicContact CD1-CE 3.76Å; L758-M767 HydrophobicContact CD2-CE 3.34Å; L758-M767 HydrophobicContact CG-CE 4.19Å; L758-I781 HydrophobicContact CB-CD1 4.04Å
759S90.2Very high91.4Very high48 Ų4866.1 Ų66.134%0.33632%0.319SS..  trans-111.7162.9177.381.40000112.2E761 S762 L763S759-E761 PolarHBondContact O-N 2.98Å; S759-E761 PolarHBondContact OG-N 3.45Å; S759-S762 PolarHBondContact N-OG 3.26Å; S759-S762 PolarHBondContact O-N 2.63Å; S759-S762 VanDerWaalsContact O-N 3.16Å; S759-S762 PolarHBondContact OG-N 3.25Å; S759-S762 PolarHBondContact OG-OG 3.01Å; S759-L763 WeakPolarHBondContact O-CG 3.22Å; S759-L763 PolarHBondContact O-N 3.12Å; S759-L763 VanDerWaalsContact O-N 3.15Å
760M91.3Very high91.3Very high56 Ų5665.4 Ų65.428%0.27631%0.314SS..Hα-helixtrans-56-33.2171.117983.2-72.700112.4L763 R764 A774 L775 V778M760-L763 HydrophobicContact CE-CB 4.49Å; M760-L763 HydrophobicContact CE-CD1 4.26Å; M760-R764 HydrophobicContact CE-CG 4.14Å; M760-R764 WeakPolarHBondContact O-CG 3.32Å; M760-R764 PolarHBondContact O-N 3.07Å; M760-A774 HydrophobicContact CE-CB 3.46Å; M760-A774 VanDerWaalsContact CE-CB 3.46Å; M760-A774 WeakPolarHBondContact CE-O 3.26Å; M760-L775 HydrophobicContact SD-CD2 3.86Å; M760-L775 HydrophobicContact SD-CG 4.48Å; M760-V778 HydrophobicContact CB-CG2 4.06Å; M760-V778 HydrophobicContact CE-CG2 3.74Å; M760-V778 HydrophobicContact SD-CG2 4.04Å
761E89.8Confident91.1Very high121 Ų12169.3 Ų69.357%0.56533%0.334SS*.Hα-helixtrans-71.6-45.5177.2-168174.817400111.1S759 L763 R764 N765S759-E761 PolarHBondContact O-N 2.98Å; S759-E761 PolarHBondContact OG-N 3.45Å; E761-L763 VanDerWaalsContact C-N 3.3Å; E761-L763 PolarHBondContact O-N 3.47Å; E761-R764 PolarHBondContact O-N 2.72Å; E761-R764 VanDerWaalsContact O-N 3.13Å; E761-N765 HydrophobicContact CG-CB 4.4Å; E761-N765 WeakPolarHBondContact CG-ND2 3.45Å; E761-N765 WeakPolarHBondContact O-CB 3.09Å; E761-N765 PolarHBondContact O-N 3.13Å; E761-N765 PolarHBondContact OE1-ND2 3.13Å; E761-N765 VanDerWaalsContact OE1-ND2 3.15Å
762S90.1Very high90.9Very high29 Ų2968.9 Ų68.920%0.20334%0.342CS..Hα-helixtrans-57.1-43.5179.2-46.70000112.1S759 R764 Y766 M767S759-S762 PolarHBondContact N-OG 3.26Å; S759-S762 PolarHBondContact O-N 2.63Å; S759-S762 VanDerWaalsContact O-N 3.16Å; S759-S762 PolarHBondContact OG-N 3.25Å; S759-S762 PolarHBondContact OG-OG 3.01Å; S762-R764 PolarHBondContact O-N 3.27Å; S762-Y766 PolarHBondContact O-N 2.92Å; S762-M767 PolarHBondContact O-N 2.95Å
763L92.7Very high91Very high0 Ų070.8 Ų70.80%035%0.354CS..Hα-helixtrans-63.4-38.8178.4-66164.5000112.7F745 L758 S759 M760 E761 M767 K768 I769 A774 M777 V778F745-L763 HydrophobicContact CE2-CD2 3.75Å; F745-L763 HydrophobicContact CZ-CD2 3.6Å; L758-L763 HydrophobicContact CD1-CD2 4.26Å; S759-L763 WeakPolarHBondContact O-CG 3.22Å; S759-L763 PolarHBondContact O-N 3.12Å; S759-L763 VanDerWaalsContact O-N 3.15Å; M760-L763 HydrophobicContact CE-CB 4.49Å; M760-L763 HydrophobicContact CE-CD1 4.26Å; E761-L763 VanDerWaalsContact C-N 3.3Å; E761-L763 PolarHBondContact O-N 3.47Å; L763-M767 HydrophobicContact CD2-CE 3.85Å; L763-K768 PolarHBondContact O-N 3.05Å; L763-I769 HydrophobicContact CD2-CD1 3.88Å; L763-I769 WeakPolarHBondContact O-CB 3.29Å; L763-I769 PolarHBondContact O-N 2.93Å; L763-A774 HydrophobicContact CB-CB 4.12Å; L763-M777 HydrophobicContact CD1-CB 4.08Å; L763-M777 HydrophobicContact CD2-CB 4.31Å; L763-V778 HydrophobicContact CD1-CG2 3.57Å
764R91.6Very high91.2Very high121 Ų12165.3 Ų65.346%0.45733%0.329SS..Hα-helixtrans-88.6-39.9-175.7-69.7-176.968.8-100-0.5113.6M760 E761 S762 K768 A774M760-R764 HydrophobicContact CE-CG 4.14Å; M760-R764 WeakPolarHBondContact O-CG 3.32Å; M760-R764 PolarHBondContact O-N 3.07Å; E761-R764 PolarHBondContact O-N 2.72Å; E761-R764 VanDerWaalsContact O-N 3.13Å; S762-R764 PolarHBondContact O-N 3.27Å; R764-K768 WeakPolarHBondContact O-CA 3.35Å; R764-A774 HydrophobicContact CG-CB 4.23Å
765N89.1Confident91.2Very high78 Ų7868.5 Ų68.542%0.41734%0.342SS..Hα-helixtrans-89.3-45.8-170.3-66.54.8000111.7E761E761-N765 HydrophobicContact CG-CB 4.4Å; E761-N765 WeakPolarHBondContact CG-ND2 3.45Å; E761-N765 WeakPolarHBondContact O-CB 3.09Å; E761-N765 PolarHBondContact O-N 3.13Å; E761-N765 PolarHBondContact OE1-ND2 3.13Å; E761-N765 VanDerWaalsContact OE1-ND2 3.15Å
766Y88.4Confident91.1Very high181 Ų18172.3 Ų72.371%0.7136%0.358SS*.THydrogen-bonded Turntrans-88.1-55.5-179.5-58.4-59.5000111.8S762 K768S762-Y766 PolarHBondContact O-N 2.92Å; Y766-K768 VanDerWaalsContact C-N 3.29Å; Y766-K768 PolarHBondContact O-N 2.85Å
767M88.8Confident91.2Very high17 Ų1770.8 Ų70.88%0.08435%0.35CS..SBendtrans-79.9-4.6-178.8-68.1-176.3-103.300114.8F745 L758 S762 L763 I769F745-M767 HydrophobicContact CD2-SD 3.74Å; F745-M767 HydrophobicContact CE2-CE 4.09Å; F745-M767 HydrophobicContact CE2-SD 3.55Å; F745-M767 VanDerWaalsContact CE2-SD 3.55Å; F745-M767 HydrophobicContact CZ-CE 4.45Å; F745-M767 HydrophobicContact CZ-SD 4.44Å; L758-M767 HydrophobicContact CD1-CE 3.76Å; L758-M767 HydrophobicContact CD2-CE 3.34Å; L758-M767 HydrophobicContact CG-CE 4.19Å; S762-M767 PolarHBondContact O-N 2.95Å; L763-M767 HydrophobicContact CD2-CE 3.85Å; M767-I769 HydrophobicContact CB-CD1 3.88Å; M767-I769 HydrophobicContact CB-CG1 3.82Å; M767-I769 PolarHBondContact O-N 3.24Å; M767-I769 VanDerWaalsContact O-N 3.12Å; M767-I769 HydrophobicContact SD-CD1 4.21Å
768K90.2Very high91.3Very high168 Ų16865.9 Ų65.973%0.7333%0.326SS*.  trans53.532.3176.9-59.4173.9-175.8171.20113.9L763 R764 Y766L763-K768 PolarHBondContact O-N 3.05Å; R764-K768 WeakPolarHBondContact O-CA 3.35Å; Y766-K768 VanDerWaalsContact C-N 3.29Å; Y766-K768 PolarHBondContact O-N 2.85Å
769I91.8Very high91.2Very high9 Ų970.2 Ų70.25%0.04635%0.345CS..  trans-76.7132.4-178.5-56.9174.8000109.6A741 K744 F745 L763 M767 P773 A774A741-I769 HydrophobicContact CB-CD1 4.16Å; K744-I769 HydrophobicContact CD-CG1 4.47Å; F745-I769 HydrophobicContact CE2-CD1 3.91Å; L763-I769 HydrophobicContact CD2-CD1 3.88Å; L763-I769 WeakPolarHBondContact O-CB 3.29Å; L763-I769 PolarHBondContact O-N 2.93Å; M767-I769 HydrophobicContact CB-CD1 3.88Å; M767-I769 HydrophobicContact CB-CG1 3.82Å; M767-I769 PolarHBondContact O-N 3.24Å; M767-I769 VanDerWaalsContact O-N 3.12Å; M767-I769 HydrophobicContact SD-CD1 4.21Å; I769-P773 HydrophobicContact CG2-CB 3.82Å; I769-A774 HydrophobicContact CB-CB 4.2Å; I769-A774 HydrophobicContact CG2-CB 3.9Å
770K92.3Very high91.3Very high134 Ų13468.6 Ų68.658%0.58333%0.333SS*.  trans-57.4148177.1-65.6165.1-171.7144.60110.6E740 G772 P773 A774E740-K770 IonicContact OE2-NZ 2.72Å; E740-K770 PolarHBondContact OE2-NZ 2.89Å; K770-G772 VanDerWaalsContact C-N 3.31Å; K770-G772 PolarHBondContact O-N 3.47Å; K770-G772 VanDerWaalsContact O-N 3.17Å; K770-P773 WeakPolarHBondContact O-CD 3.37Å; K770-A774 VanDerWaalsContact O-CB 3.32Å; K770-A774 WeakPolarHBondContact O-CB 3.2Å; K770-A774 PolarHBondContact O-N 3.06Å
771L89.5Confident91.2Very high98 Ų9866.1 Ų66.151%0.51332%0.321SS..Hα-helixtrans-55-40.5-171-17862.2000113.9A774 L775L771-A774 PolarHBondContact O-N 3.35Å; L771-L775 HydrophobicContact CD1-CD1 4.03Å; L771-L775 HydrophobicContact CD1-CG 4.04Å; L771-L775 HydrophobicContact CG-CD1 3.94Å; L771-L775 HydrophobicContact CG-CG 4.39Å; L771-L775 WeakPolarHBondContact O-CB 3.46Å; L771-L775 VanDerWaalsContact O-CG 3.26Å; L771-L775 WeakPolarHBondContact O-CG 3.38Å; L771-L775 PolarHBondContact O-N 2.83Å
772G91.7Very high91.1Very high44 Ų4462.3 Ų62.345%0.45431%0.308SS..Hα-helixtrans-60.3-63.4178.500000113.2K770 A774 L775 K776K770-G772 VanDerWaalsContact C-N 3.31Å; K770-G772 PolarHBondContact O-N 3.47Å; K770-G772 VanDerWaalsContact O-N 3.17Å; G772-A774 VanDerWaalsContact C-N 3.27Å; G772-A774 PolarHBondContact O-N 2.93Å; G772-L775 PolarHBondContact O-N 3.42Å; G772-L775 VanDerWaalsContact O-N 3.17Å; G772-K776 PolarHBondContact O-N 2.96Å; G772-K776 VanDerWaalsContact O-N 3.1Å
773P93.1Very high90.8Very high39 Ų3964.8 Ų64.825%0.25331%0.312SS..Hα-helixtrans-55.1-38.4173.6-28.836.1000113.6L738 I769 K770 L775 K776 M777L738-P773 HydrophobicContact CD2-CB 3.78Å; I769-P773 HydrophobicContact CG2-CB 3.82Å; K770-P773 WeakPolarHBondContact O-CD 3.37Å; P773-L775 PolarHBondContact O-N 2.79Å; P773-K776 WeakPolarHBondContact O-CB 3.44Å; P773-K776 PolarHBondContact O-N 3.1Å; P773-M777 WeakPolarHBondContact O-CG 3.49Å; P773-M777 PolarHBondContact O-N 3.23Å
774A93.9Very high90.5Very high0 Ų065.3 Ų65.30%032%0.315CS..Hα-helixtrans-65.9-36.4178.300000112.8M760 L763 R764 I769 K770 L771 G772 M777 V778M760-A774 HydrophobicContact CE-CB 3.46Å; M760-A774 VanDerWaalsContact CE-CB 3.46Å; M760-A774 WeakPolarHBondContact CE-O 3.26Å; L763-A774 HydrophobicContact CB-CB 4.12Å; R764-A774 HydrophobicContact CG-CB 4.23Å; I769-A774 HydrophobicContact CB-CB 4.2Å; I769-A774 HydrophobicContact CG2-CB 3.9Å; K770-A774 VanDerWaalsContact O-CB 3.32Å; K770-A774 WeakPolarHBondContact O-CB 3.2Å; K770-A774 PolarHBondContact O-N 3.06Å; L771-A774 PolarHBondContact O-N 3.35Å; G772-A774 VanDerWaalsContact C-N 3.27Å; G772-A774 PolarHBondContact O-N 2.93Å; A774-M777 PolarHBondContact O-N 3.01Å; A774-V778 WeakPolarHBondContact O-CG2 3.45Å; A774-V778 PolarHBondContact O-N 2.92Å
775L92.3Very high90Very high95 Ų9565.1 Ų65.150%0.49732%0.318SS..Hα-helixtrans-67.6-39.5172.9-75.8168.5000112M760 L771 G772 P773 V778 H779M760-L775 HydrophobicContact SD-CD2 3.86Å; M760-L775 HydrophobicContact SD-CG 4.48Å; L771-L775 HydrophobicContact CD1-CD1 4.03Å; L771-L775 HydrophobicContact CD1-CG 4.04Å; L771-L775 HydrophobicContact CG-CD1 3.94Å; L771-L775 HydrophobicContact CG-CG 4.39Å; L771-L775 WeakPolarHBondContact O-CB 3.46Å; L771-L775 VanDerWaalsContact O-CG 3.26Å; L771-L775 WeakPolarHBondContact O-CG 3.38Å; L771-L775 PolarHBondContact O-N 2.83Å; G772-L775 PolarHBondContact O-N 3.42Å; G772-L775 VanDerWaalsContact O-N 3.17Å; P773-L775 PolarHBondContact O-N 2.79Å; L775-V778 PolarHBondContact O-N 3.06Å; L775-H779 PolarHBondContact O-N 3.42Å
776K92.8Very high89.3Confident81 Ų8169 Ų6935%0.35233%0.327SS..Hα-helixtrans-60.2-45.5172.6-71-179.7162.5-154.90111.4D735 T737 L738 G772 P773 V778 H779 L780D735-K776 IonicContact OD1-NZ 3.32Å; D735-K776 PolarHBondContact OD1-NZ 3.22Å; D735-K776 VanDerWaalsContact OD2-CD 3.31Å; D735-K776 WeakPolarHBondContact OD2-CD 3.12Å; D735-K776 VanDerWaalsContact OD2-CE 3.32Å; D735-K776 WeakPolarHBondContact OD2-CE 3.45Å; D735-K776 IonicContact OD2-NZ 3.39Å; D735-K776 PolarHBondContact OD2-NZ 3.44Å; T737-K776 PolarHBondContact OG1-NZ 2.84Å; L738-K776 HydrophobicContact CD1-CB 4Å; L738-K776 HydrophobicContact CD2-CB 3.9Å; L738-K776 HydrophobicContact CD2-CD 3.79Å; L738-K776 HydrophobicContact CD2-CG 4.49Å; L738-K776 HydrophobicContact CG-CD 4.38Å; G772-K776 PolarHBondContact O-N 2.96Å; G772-K776 VanDerWaalsContact O-N 3.1Å; P773-K776 WeakPolarHBondContact O-CB 3.44Å; P773-K776 PolarHBondContact O-N 3.1Å; K776-V778 PolarHBondContact O-N 3.5Å; K776-H779 WeakPolarHBondContact O-CB 3.38Å; K776-H779 PolarHBondContact O-N 3.22Å; K776-H779 VanDerWaalsContact O-N 3.11Å; K776-L780 PolarHBondContact O-N 2.82Å
777M93.5Very high88.3Confident1 Ų163.6 Ų63.61%0.00533%0.325CS..Hα-helixtrans-60.2-45.1174.9-71.9-54.1-70.200112.4I731 L738 A741 F745 L755 L763 P773 A774 H779 L780 I781I731-M777 HydrophobicContact CD1-CE 3.44Å; I731-M777 VanDerWaalsContact CD1-CE 3.44Å; I731-M777 HydrophobicContact CD1-SD 4.42Å; I731-M777 HydrophobicContact CG1-CE 3.78Å; I731-M777 HydrophobicContact CG1-SD 4.33Å; I731-M777 HydrophobicContact CG2-CE 4.3Å; I731-M777 HydrophobicContact CG2-SD 3.86Å; L738-M777 HydrophobicContact CD1-SD 3.74Å; A741-M777 HydrophobicContact CB-CG 4.45Å; F745-M777 HydrophobicContact CD1-CE 4.09Å; F745-M777 HydrophobicContact CE1-CE 3.31Å; F745-M777 HydrophobicContact CE2-CE 4.02Å; F745-M777 HydrophobicContact CZ-CE 3.25Å; L755-M777 HydrophobicContact CD1-CE 4.47Å; L763-M777 HydrophobicContact CD1-CB 4.08Å; L763-M777 HydrophobicContact CD2-CB 4.31Å; P773-M777 WeakPolarHBondContact O-CG 3.49Å; P773-M777 PolarHBondContact O-N 3.23Å; A774-M777 PolarHBondContact O-N 3.01Å; M777-H779 VanDerWaalsContact C-N 3.27Å; M777-H779 PolarHBondContact O-N 3.31Å; M777-L780 PolarHBondContact O-N 3.03Å; M777-L780 HydrophobicContact SD-CD1 4.29Å; M777-I781 WeakPolarHBondContact O-CB 3.25Å; M777-I781 WeakPolarHBondContact O-CD1 3.39Å; M777-I781 VanDerWaalsContact O-CG1 3.27Å; M777-I781 WeakPolarHBondContact O-CG1 3.36Å; M777-I781 PolarHBondContact O-N 3.42Å
778V92.3Very high86.6Confident42 Ų4267.2 Ų67.226%0.25535%0.345SS..Hα-helixtrans-60.9-35.8174.1171.10000111.8M760 L763 A774 L775 K776 S782M760-V778 HydrophobicContact CB-CG2 4.06Å; M760-V778 HydrophobicContact CE-CG2 3.74Å; M760-V778 HydrophobicContact SD-CG2 4.04Å; L763-V778 HydrophobicContact CD1-CG2 3.57Å; A774-V778 WeakPolarHBondContact O-CG2 3.45Å; A774-V778 PolarHBondContact O-N 2.92Å; L775-V778 PolarHBondContact O-N 3.06Å; K776-V778 PolarHBondContact O-N 3.5Å; V778-S782 WeakPolarHBondContact O-CB 3.43Å; V778-S782 PolarHBondContact O-N 2.82Å; V778-S782 PolarHBondContact O-OG 3.38Å
779H89.8Confident84.6Confident112 Ų11262.3 Ų62.352%0.51933%0.326SS..Hα-helixtrans-65.8-46.7174.7179.786.1000112.1L775 K776 M777 S782 R783L775-H779 PolarHBondContact O-N 3.42Å; K776-H779 WeakPolarHBondContact O-CB 3.38Å; K776-H779 PolarHBondContact O-N 3.22Å; K776-H779 VanDerWaalsContact O-N 3.11Å; M777-H779 VanDerWaalsContact C-N 3.27Å; M777-H779 PolarHBondContact O-N 3.31Å; H779-S782 WeakPolarHBondContact O-CB 3.35Å; H779-S782 PolarHBondContact O-N 2.85Å; H779-R783 PolarHBondContact O-N 3.43Å
780L91.5Very high84.2Confident15 Ų1565 Ų658%0.07934%0.34CS..Hα-helixtrans-60.2-49.2176-68.3176.5000111.6Y730 R734 L738 K776 M777 S782 R783 L784Y730-L780 HydrophobicContact CE1-CB 4.44Å; R734-L780 HydrophobicContact CB-CD2 4.15Å; R734-L780 HydrophobicContact CG-CD2 3.89Å; L738-L780 HydrophobicContact CD1-CD1 3.68Å; K776-L780 PolarHBondContact O-N 2.82Å; M777-L780 PolarHBondContact O-N 3.03Å; M777-L780 HydrophobicContact SD-CD1 4.29Å; L780-S782 PolarHBondContact O-N 3.36Å; L780-R783 WeakPolarHBondContact O-CB 3.39Å; L780-R783 PolarHBondContact O-N 2.87Å; L780-L784 WeakPolarHBondContact O-CG 3.35Å; L780-L784 PolarHBondContact O-N 3.45Å
781I90.8Very high83.8Confident4 Ų461.3 Ų61.32%0.02133%0.327CS..Hα-helixtrans-59.5-36.3175.2-64.4161.9000111.2L755 L758 M777 R783 L784 K785L755-I781 HydrophobicContact CD1-CD1 3.99Å; L755-I781 HydrophobicContact CD1-CG1 3.65Å; L755-I781 HydrophobicContact CG-CG1 4.29Å; L758-I781 HydrophobicContact CB-CD1 4.04Å; M777-I781 WeakPolarHBondContact O-CB 3.25Å; M777-I781 WeakPolarHBondContact O-CD1 3.39Å; M777-I781 VanDerWaalsContact O-CG1 3.27Å; M777-I781 WeakPolarHBondContact O-CG1 3.36Å; M777-I781 PolarHBondContact O-N 3.42Å; I781-R783 VanDerWaalsContact C-N 3.34Å; I781-L784 PolarHBondContact O-N 2.95Å; I781-K785 HydrophobicContact CG2-CD 4.06Å; I781-K785 WeakPolarHBondContact O-CB 3.5Å; I781-K785 VanDerWaalsContact O-CG 3.3Å; I781-K785 WeakPolarHBondContact O-CG 3.41Å; I781-K785 PolarHBondContact O-N 2.82Å
782S86.1Confident83.5Confident41 Ų4159.3 Ų59.329%0.28732%0.317SS..Hα-helixtrans-71.4-24.5175.9-61.50000113.7V778 H779 L780 R786V778-S782 WeakPolarHBondContact O-CB 3.43Å; V778-S782 PolarHBondContact O-N 2.82Å; V778-S782 PolarHBondContact O-OG 3.38Å; H779-S782 WeakPolarHBondContact O-CB 3.35Å; H779-S782 PolarHBondContact O-N 2.85Å; L780-S782 PolarHBondContact O-N 3.36Å; S782-R786 WeakPolarHBondContact O-CD 3.41Å; S782-R786 WeakPolarHBondContact O-CG 3.19Å; S782-R786 PolarHBondContact O-NE 3.28Å
783R84.5Confident83Confident80 Ų8060.2 Ų60.230%0.30231%0.309SS..Hα-helixtrans-76.1-46171.1-74.3-174.261.1171.6-1.8111.2H779 L780 I781 K785 R786 G787 L788H779-R783 PolarHBondContact O-N 3.43Å; L780-R783 WeakPolarHBondContact O-CB 3.39Å; L780-R783 PolarHBondContact O-N 2.87Å; I781-R783 VanDerWaalsContact C-N 3.34Å; R783-K785 PolarHBondContact O-N 3.37Å; R783-R786 PolarHBondContact O-N 3.4Å; R783-R786 VanDerWaalsContact O-N 3.09Å; R783-G787 PolarHBondContact O-N 3.1Å; R783-L788 HydrophobicContact CB-CB 4.44Å; R783-L788 VanDerWaalsContact CZ-O 3.3Å; R783-L788 PolarHBondContact NE-O 3.12Å; R783-L788 PolarHBondContact NH2-O 2.84Å; R783-L788 PolarHBondContact O-N 3.28Å
784L86.6Confident82.4Confident11 Ų1161.5 Ų61.56%0.05831%0.312CS..Hα-helixtrans-52.3-52.7174.8-70.1167000111.3P719 W722 Y730 L755 L756 L780 I781 R786 G787 L789P719-L784 HydrophobicContact CB-CD2 4.23Å; P719-L784 HydrophobicContact CG-CD2 3.9Å; W722-L784 HydrophobicContact CH2-CD2 3.4Å; W722-L784 VanDerWaalsContact CH2-CD2 3.4Å; W722-L784 HydrophobicContact CZ2-CD2 4.15Å; W722-L784 HydrophobicContact CZ3-CD1 4.23Å; W722-L784 HydrophobicContact CZ3-CD2 3.85Å; Y730-L784 HydrophobicContact CE1-CD1 3.98Å; Y730-L784 HydrophobicContact CE1-CD2 4.4Å; Y730-L784 HydrophobicContact CE1-CG 4.4Å; Y730-L784 HydrophobicContact CE2-CD2 4.39Å; L755-L784 HydrophobicContact CD2-CD1 3.65Å; L755-L784 HydrophobicContact CG-CD1 4.19Å; L756-L784 HydrophobicContact CD2-CB 4.05Å; L780-L784 WeakPolarHBondContact O-CG 3.35Å; L780-L784 PolarHBondContact O-N 3.45Å; I781-L784 PolarHBondContact O-N 2.95Å; L784-R786 PolarHBondContact O-N 2.89Å; L784-G787 PolarHBondContact O-N 2.88Å; L784-G787 VanDerWaalsContact O-N 3.12Å; L784-L789 HydrophobicContact CD2-CD1 3.61Å; L784-L789 HydrophobicContact CD2-CD2 3.78Å; L784-L789 HydrophobicContact CD2-CG 3.91Å; L784-L789 HydrophobicContact CG-CD2 4.4Å
785K81.5Confident81.6Confident117 Ų11765.6 Ų65.651%0.50933%0.333SS..THydrogen-bonded Turntrans-61.1-10.6179.2-74.1176.6178.7-177.80115.9L756 I781 R783L756-K785 HydrophobicContact CD2-CG 3.8Å; L756-K785 WeakPolarHBondContact O-CE 3.29Å; L756-K785 PolarHBondContact O-NZ 2.89Å; I781-K785 HydrophobicContact CG2-CD 4.06Å; I781-K785 WeakPolarHBondContact O-CB 3.5Å; I781-K785 VanDerWaalsContact O-CG 3.3Å; I781-K785 WeakPolarHBondContact O-CG 3.41Å; I781-K785 PolarHBondContact O-N 2.82Å; R783-K785 PolarHBondContact O-N 3.37Å
786R74.2Confident80.8Confident161 Ų16163.5 Ų63.561%0.60832%0.321SS*.THydrogen-bonded Turntrans-109.7-1.5-179.2-67.3173.6-174.6-172.81.6113.2S782 R783 L784 L788S782-R786 WeakPolarHBondContact O-CD 3.41Å; S782-R786 WeakPolarHBondContact O-CG 3.19Å; S782-R786 PolarHBondContact O-NE 3.28Å; R783-R786 PolarHBondContact O-N 3.4Å; R783-R786 VanDerWaalsContact O-N 3.09Å; L784-R786 PolarHBondContact O-N 2.89Å; R786-L788 HydrophobicContact CB-CB 4.3Å; R786-L788 HydrophobicContact CB-CD1 3.76Å; R786-L788 HydrophobicContact CB-CG 3.74Å; R786-L788 HydrophobicContact CG-CD1 4.42Å; R786-L788 PolarHBondContact O-N 2.98Å
787G67.7Low79.9Confident66 Ų6662.2 Ų62.268%0.6832%0.319SS*.THydrogen-bonded Turntrans65.225.2-167.600000113.1R783 L784 L789R783-G787 PolarHBondContact O-N 3.1Å; L784-G787 PolarHBondContact O-N 2.88Å; L784-G787 VanDerWaalsContact O-N 3.12Å; G787-L789 VanDerWaalsContact C-N 3.33Å; G787-L789 PolarHBondContact O-N 2.67Å
788L52.2Low78.8Confident94 Ų9467.3 Ų67.349%0.49235%0.345SS..  trans-9847-178.6-65.8175.4000111.8R783 R786R783-L788 HydrophobicContact CB-CB 4.44Å; R783-L788 VanDerWaalsContact CZ-O 3.3Å; R783-L788 PolarHBondContact NE-O 3.12Å; R783-L788 PolarHBondContact NH2-O 2.84Å; R783-L788 PolarHBondContact O-N 3.28Å; R786-L788 HydrophobicContact CB-CB 4.3Å; R786-L788 HydrophobicContact CB-CD1 3.76Å; R786-L788 HydrophobicContact CB-CG 3.74Å; R786-L788 HydrophobicContact CG-CD1 4.42Å; R786-L788 PolarHBondContact O-N 2.98Å
789L48.2Very low77.5Confident64 Ų6469.5 Ų69.534%0.33535%0.353SS..  trans-92.40164.1-67.9-166.5000109.8R210 W722 Y730 L784 G787R210-L789 PolarHBondContact NH2-O 2.64Å; R210-L789 PolarHBondContact NH2-OXT 2.66Å; W722-L789 HydrophobicContact CH2-CD1 4.08Å; W722-L789 HydrophobicContact CZ2-CD1 4.07Å; Y730-L789 HydrophobicContact CE2-CD1 4.25Å; Y730-L789 HydrophobicContact CE2-CD2 3.78Å; Y730-L789 WeakPolarHBondContact OH-CD2 3.43Å; L784-L789 HydrophobicContact CD2-CD1 3.61Å; L784-L789 HydrophobicContact CD2-CD2 3.78Å; L784-L789 HydrophobicContact CD2-CG 3.91Å; L784-L789 HydrophobicContact CG-CD2 4.4Å; G787-L789 VanDerWaalsContact C-N 3.33Å; G787-L789 PolarHBondContact O-N 2.67Å

Retrieved 789 of 789 residues in 1131.9 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).