A0A087XTS1_POEFO Loading...

Mothers against decapentaplegic homolog

AlphaFold DB , UniProt , Accession A0A087XTS1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 378 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.5Very low84Confident239 Ų239100.4 Ų100.4100%1.17747%0.469SS*.  0106.40-153.2-176.1-146.200108.3R3M1-R3 PolarHBondContact O-N 2.78Å
2F52.8Low85Confident210 Ų210100.7 Ų100.792%0.92146%0.463SS*.PPolyproline II helixtrans-67.1125.1-179.6-71.2-85.1000110T4F2-T4 PolarHBondContact O-N 2.63Å
3R72.8Confident85.9Confident182 Ų18292.9 Ų92.969%0.68743%0.427SS*.PPolyproline II helixtrans-71.7125.8175.7-82179.2167.2177-1.5109.2M1 R11M1-R3 PolarHBondContact O-N 2.78Å; R3-R11 VanDerWaalsContact CZ-CZ 3.4Å
4T87.3Confident86.5Confident90 Ų9088.1 Ų88.155%0.55240%0.404SS*.PPolyproline II helixtrans-67.4147.2174.163.50000110.5F2 R6 S7 G8F2-T4 PolarHBondContact O-N 2.63Å; T4-R6 VanDerWaalsContact C-N 3.3Å; T4-R6 PolarHBondContact O-N 2.95Å; T4-S7 PolarHBondContact N-OG 3.42Å; T4-S7 WeakPolarHBondContact O-CB 2.97Å; T4-S7 PolarHBondContact O-N 3.38Å; T4-S7 PolarHBondContact O-OG 3.46Å; T4-S7 WeakPolarHBondContact OG1-CB 3.23Å; T4-S7 PolarHBondContact OG1-N 3.36Å; T4-G8 PolarHBondContact O-N 3.31Å
5K92.6Very high87Confident119 Ų11993.8 Ų93.852%0.51742%0.42SS..Hα-helixtrans-51.9-46.6177.6-178.5165.7166.4-131.20112.3S7 G8 L9 E70 E74K5-S7 PolarHBondContact O-N 3.05Å; K5-G8 WeakPolarHBondContact O-CA 3.09Å; K5-G8 PolarHBondContact O-N 3.01Å; K5-L9 PolarHBondContact O-N 3.35Å; K5-E70 WeakPolarHBondContact CD-OE1 3.4Å; K5-E70 VanDerWaalsContact CE-OE1 3.23Å; K5-E70 WeakPolarHBondContact CE-OE1 3.45Å; K5-E70 WeakPolarHBondContact CG-OE1 3.47Å; K5-E70 IonicContact NZ-OE1 2.78Å; K5-E70 PolarHBondContact NZ-OE1 3.18Å; K5-E74 WeakPolarHBondContact CE-OE1 3.44Å; K5-E74 IonicContact NZ-OE1 2.63Å; K5-E74 PolarHBondContact NZ-OE1 2.69Å
6R94.1Very high87.5Confident100 Ų10090.3 Ų90.338%0.37741%0.41SS..Hα-helixtrans-50.4-48.9170.6-178.3-178.8-76.1107.1-3.6113.3T4 G8 L9 V10 L73T4-R6 VanDerWaalsContact C-N 3.3Å; T4-R6 PolarHBondContact O-N 2.95Å; R6-G8 PolarHBondContact O-N 3.03Å; R6-L9 PolarHBondContact O-N 3.14Å; R6-V10 HydrophobicContact CG-CG2 4.4Å; R6-V10 WeakPolarHBondContact O-CG2 3.38Å; R6-V10 PolarHBondContact O-N 3Å; R6-L73 HydrophobicContact CG-CD1 4.07Å
7S92.8Very high87.9Confident35 Ų3589 Ų8925%0.24540%0.401CS..Hα-helixtrans-63-28.8179.578.40000112.8T4 K5 R11T4-S7 PolarHBondContact N-OG 3.42Å; T4-S7 WeakPolarHBondContact O-CB 2.97Å; T4-S7 PolarHBondContact O-N 3.38Å; T4-S7 PolarHBondContact O-OG 3.46Å; T4-S7 WeakPolarHBondContact OG1-CB 3.23Å; T4-S7 PolarHBondContact OG1-N 3.36Å; K5-S7 PolarHBondContact O-N 3.05Å; S7-R11 WeakPolarHBondContact O-CB 3.43Å; S7-R11 PolarHBondContact O-N 3.34Å; S7-R11 PolarHBondContact O-NH1 2.75Å
8G95.2Very high88.1Confident24 Ų2484.7 Ų84.725%0.24738%0.384CS..Hα-helixtrans-66.8-50.2171.400000112.3T4 K5 R6 R11 R12T4-G8 PolarHBondContact O-N 3.31Å; K5-G8 WeakPolarHBondContact O-CA 3.09Å; K5-G8 PolarHBondContact O-N 3.01Å; R6-G8 PolarHBondContact O-N 3.03Å; G8-R11 PolarHBondContact O-N 3.3Å; G8-R12 PolarHBondContact O-N 2.99Å
9L96.6Very high87.9Confident15 Ų1585.8 Ų85.88%0.07940%0.401CS..Hα-helixtrans-60.4-49-180-65.9172.5000112.2K5 R6 R11 R12 L13 E70 L73 E74 L77K5-L9 PolarHBondContact O-N 3.35Å; R6-L9 PolarHBondContact O-N 3.14Å; L9-R11 VanDerWaalsContact C-N 3.29Å; L9-R11 PolarHBondContact O-N 3.32Å; L9-R12 PolarHBondContact O-N 3.09Å; L9-R12 VanDerWaalsContact O-N 3.16Å; L9-L13 PolarHBondContact O-N 2.97Å; L9-E70 HydrophobicContact CD1-CG 3.74Å; L9-L73 HydrophobicContact CB-CB 4.34Å; L9-L73 HydrophobicContact CD1-CB 3.95Å; L9-E74 HydrophobicContact CD1-CG 3.79Å; L9-E74 HydrophobicContact CD2-CG 4.09Å; L9-L77 HydrophobicContact CD2-CD2 3.56Å
10V96Very high87.3Confident7 Ų784.1 Ų84.14%0.04240%0.396CS..Hα-helixtrans-58.8-41.4179.5176.40000111.4R6 W14 L65 L73R6-V10 HydrophobicContact CG-CG2 4.4Å; R6-V10 WeakPolarHBondContact O-CG2 3.38Å; R6-V10 PolarHBondContact O-N 3Å; V10-W14 PolarHBondContact O-N 3.17Å; V10-L65 HydrophobicContact CG1-CB 4.17Å; V10-L65 HydrophobicContact CG1-CD1 4.1Å; V10-L65 HydrophobicContact CG2-CB 4.06Å; V10-L73 HydrophobicContact CG2-CD1 4.31Å
11R94.3Very high85.8Confident83 Ų8388.2 Ų88.231%0.31342%0.415SS..Hα-helixtrans-67.4-40.3178.1-170.1-173.2-5994.26.8112R3 S7 G8 L9 R15R3-R11 VanDerWaalsContact CZ-CZ 3.4Å; S7-R11 WeakPolarHBondContact O-CB 3.43Å; S7-R11 PolarHBondContact O-N 3.34Å; S7-R11 PolarHBondContact O-NH1 2.75Å; G8-R11 PolarHBondContact O-N 3.3Å; L9-R11 VanDerWaalsContact C-N 3.29Å; L9-R11 PolarHBondContact O-N 3.32Å; R11-R15 WeakPolarHBondContact O-CG 3.41Å; R11-R15 PolarHBondContact O-N 3.27Å; R11-R15 VanDerWaalsContact O-N 3.17Å
12R96.1Very high85.8Confident104 Ų10480.2 Ų80.239%0.39239%0.393SS..Hα-helixtrans-63.9-48.1175.7-75.717963.3-172.1-2.5111G8 L9 W14 R15 S16 L77 E81G8-R12 PolarHBondContact O-N 2.99Å; L9-R12 PolarHBondContact O-N 3.09Å; L9-R12 VanDerWaalsContact O-N 3.16Å; R12-W14 VanDerWaalsContact C-N 3.35Å; R12-W14 PolarHBondContact O-N 2.82Å; R12-R15 WeakPolarHBondContact O-CB 3.48Å; R12-R15 PolarHBondContact O-N 3.24Å; R12-R15 VanDerWaalsContact O-N 3.09Å; R12-S16 PolarHBondContact O-N 2.88Å; R12-S16 VanDerWaalsContact O-N 3.12Å; R12-S16 PolarHBondContact O-OG 3.01Å; R12-L77 HydrophobicContact CB-CD1 3.79Å; R12-L77 HydrophobicContact CB-CD2 4.08Å; R12-E81 IonicContact CZ-OE1 3.87Å; R12-E81 IonicContact CZ-OE2 3.63Å; R12-E81 IonicContact NE-OE1 3.44Å; R12-E81 PolarHBondContact NE-OE1 3.16Å; R12-E81 IonicContact NH2-OE1 2.75Å; R12-E81 PolarHBondContact NH2-OE1 3.32Å; R12-E81 IonicContact NH2-OE2 3.03Å; R12-E81 PolarHBondContact NH2-OE2 2.94Å
13L96.6Very high85.2Confident0 Ų074.2 Ų74.20%037%0.371CS..Hα-helixtrans-52.3-52.1174.3-79.7168.5000111.4L9 R15 S16 R17 L65 L73 L76 L77 V80 F116L9-L13 PolarHBondContact O-N 2.97Å; L13-R15 VanDerWaalsContact C-N 3.26Å; L13-R15 PolarHBondContact O-N 3.34Å; L13-S16 CarbonylContact O-C 3.45Å; L13-S16 WeakPolarHBondContact O-CA 3.22Å; L13-S16 PolarHBondContact O-N 3.27Å; L13-R17 PolarHBondContact O-N 2.96Å; L13-L65 HydrophobicContact CB-CD1 4.06Å; L13-L65 HydrophobicContact CD1-CD1 4.11Å; L13-L65 HydrophobicContact CD1-CD2 3.99Å; L13-L73 HydrophobicContact CD1-CD2 3.73Å; L13-L76 HydrophobicContact CD1-CD2 4.09Å; L13-L76 HydrophobicContact CD1-CG 4.44Å; L13-L76 HydrophobicContact CD2-CB 4.38Å; L13-L76 HydrophobicContact CD2-CD2 4.13Å; L13-L76 HydrophobicContact CD2-CG 3.77Å; L13-L77 HydrophobicContact CD2-CB 3.91Å; L13-L77 HydrophobicContact CD2-CD1 3.85Å; L13-L77 HydrophobicContact CG-CB 4.16Å; L13-L77 HydrophobicContact CG-CD1 3.88Å; L13-V80 HydrophobicContact CD2-CG2 4.42Å; L13-F116 HydrophobicContact CB-CE1 4.3Å; L13-F116 HydrophobicContact CB-CZ 4.18Å; L13-F116 HydrophobicContact CD2-CE1 4.31Å; L13-F116 HydrophobicContact CD2-CZ 4.13Å; L13-F116 WeakPolarHBondContact O-CE1 3.49Å
14W94.4Very high83.5Confident26 Ų2669.2 Ų69.210%0.09838%0.376CS..Hα-helixtrans-59.5-34.5179.7-174.2-97.6000113.8V10 R12 S16 R17 K58 T61 H62 V115V10-W14 PolarHBondContact O-N 3.17Å; R12-W14 VanDerWaalsContact C-N 3.35Å; R12-W14 PolarHBondContact O-N 2.82Å; W14-S16 VanDerWaalsContact C-N 3.26Å; W14-S16 PolarHBondContact O-N 3.42Å; W14-R17 WeakPolarHBondContact O-CB 3.49Å; W14-R17 WeakPolarHBondContact O-CD 3.4Å; W14-R17 VanDerWaalsContact O-CG 3.3Å; W14-R17 WeakPolarHBondContact O-CG 3.24Å; W14-R17 PolarHBondContact O-N 3.45Å; W14-R17 PolarHBondContact O-NH1 3.02Å; W14-K58 HydrophobicContact CD2-CG 4.16Å; W14-K58 HydrophobicContact CE3-CG 4.34Å; W14-K58 HydrophobicContact CH2-CB 3.37Å; W14-K58 HydrophobicContact CH2-CD 4.31Å; W14-K58 HydrophobicContact CH2-CG 3.62Å; W14-K58 HydrophobicContact CZ2-CB 3.52Å; W14-K58 HydrophobicContact CZ2-CD 3.59Å; W14-K58 HydrophobicContact CZ2-CG 3.38Å; W14-K58 HydrophobicContact CZ3-CB 4.07Å; W14-K58 HydrophobicContact CZ3-CG 4.09Å; W14-T61 HydrophobicContact CE3-CG2 4.05Å; W14-T61 HydrophobicContact CZ3-CG2 3.93Å; W14-H62 AromaticContact CD2-NE2 3.75Å; W14-H62 AromaticContact CE3-CD2 3.98Å; W14-H62 AromaticContact CG-NE2 3.64Å; W14-V115 HydrophobicContact CZ3-CG1 4.26Å
15R94.3Very high80.9Confident173 Ų17373.9 Ų73.965%0.65339%0.392SS*.Hα-helixtrans-69.8-24.7174.4-73.3-171.4-65-173.15.5112.9R11 R12 L13 R17R11-R15 WeakPolarHBondContact O-CG 3.41Å; R11-R15 PolarHBondContact O-N 3.27Å; R11-R15 VanDerWaalsContact O-N 3.17Å; R12-R15 WeakPolarHBondContact O-CB 3.48Å; R12-R15 PolarHBondContact O-N 3.24Å; R12-R15 VanDerWaalsContact O-N 3.09Å; L13-R15 VanDerWaalsContact C-N 3.26Å; L13-R15 PolarHBondContact O-N 3.34Å; R15-R17 VanDerWaalsContact C-N 3.33Å
16S95Very high78.4Confident38 Ų3873 Ų7327%0.26641%0.407SS..THydrogen-bonded Turntrans-91.713177.3-50.40000113.5R12 L13 W14 V80R12-S16 PolarHBondContact O-N 2.88Å; R12-S16 VanDerWaalsContact O-N 3.12Å; R12-S16 PolarHBondContact O-OG 3.01Å; L13-S16 CarbonylContact O-C 3.45Å; L13-S16 WeakPolarHBondContact O-CA 3.22Å; L13-S16 PolarHBondContact O-N 3.27Å; W14-S16 VanDerWaalsContact C-N 3.26Å; W14-S16 PolarHBondContact O-N 3.42Å; S16-V80 WeakPolarHBondContact O-CG1 3.47Å
17R94.6Very high75.4Confident68 Ų6875.8 Ų75.826%0.25743%0.429SS..SBendtrans-61.8154.2173.676.9-173.5-171.1-67.4-6.5111.2L13 W14 R15 D23 V115L13-R17 PolarHBondContact O-N 2.96Å; W14-R17 WeakPolarHBondContact O-CB 3.49Å; W14-R17 WeakPolarHBondContact O-CD 3.4Å; W14-R17 VanDerWaalsContact O-CG 3.3Å; W14-R17 WeakPolarHBondContact O-CG 3.24Å; W14-R17 PolarHBondContact O-N 3.45Å; W14-R17 PolarHBondContact O-NH1 3.02Å; R15-R17 VanDerWaalsContact C-N 3.33Å; R17-D23 IonicContact NH2-OD2 3.24Å; R17-D23 PolarHBondContact NH2-OD2 3.3Å; R17-V115 CarbonylContact C-O 3.53Å; R17-V115 WeakPolarHBondContact CA-O 3.46Å; R17-V115 HydrophobicContact CB-CG1 3.92Å; R17-V115 WeakPolarHBondContact CB-O 3.47Å
18A91.7Very high72.5Confident11 Ų1185.6 Ų85.69%0.09146%0.461CS..PPolyproline II helixtrans-64140.5172.800000110.1V115 P119A18-V115 PolarHBondContact N-O 3.11Å; A18-P119 HydrophobicContact CB-CG 3.8Å
19P84.5Confident69.3Low107 Ų10787.8 Ų87.870%0.69548%0.483SS*.PPolyproline II helixtrans-65.9137.8178.327.7-33.4000110.4
20V75.1Confident66Low50 Ų5094.2 Ų94.230%0.30352%0.523SS..PPolyproline II helixtrans-90.9142.4170.7-174.60000108.1G22 D23 P119V20-G22 PolarHBondContact O-N 2.97Å; V20-D23 PolarHBondContact O-N 2.9Å; V20-P119 HydrophobicContact CG2-CB 4.4Å; V20-P119 HydrophobicContact CG2-CG 4.48Å
21E55.6Low62.9Low172 Ų172103.5 Ų103.580%0.80457%0.566SS**THydrogen-bonded Turntrans-58.3112.2177.3-69.8-158.2157.600110.5
22G48.8Very low59.7Low70 Ų70102.9 Ų102.972%0.72259%0.585SS**THydrogen-bonded Turntrans123.2-9.8-178.200000115.5V20 G24V20-G22 PolarHBondContact O-N 2.97Å; G22-G24 PolarHBondContact O-N 3.42Å
23D41.7Very low56.9Low84 Ų84104.3 Ų104.345%0.44961%0.611SS.*  trans-74.246.5174.2-90-2.4000112.6R17 V20 E25R17-D23 IonicContact NH2-OD2 3.24Å; R17-D23 PolarHBondContact NH2-OD2 3.3Å; V20-D23 PolarHBondContact O-N 2.9Å; D23-E25 VanDerWaalsContact C-N 3.27Å; D23-E25 PolarHBondContact O-N 3.25Å
24G36.2Very low53.8Low77 Ų77109.5 Ų109.579%0.79465%0.647SS**  trans-77.576.9167.700000110.2G22 A26G22-G24 PolarHBondContact O-N 3.42Å; G24-A26 PolarHBondContact O-N 3.44Å
25E33.9Very low50.7Low189 Ų189111.9 Ų111.988%0.88368%0.68SS**  trans-72.8112.7169.4-152.7170.1-161.900108.3D23 D27D23-E25 VanDerWaalsContact C-N 3.27Å; D23-E25 PolarHBondContact O-N 3.25Å; E25-D27 PolarHBondContact O-N 2.88Å
26A39.3Very low47.6Very low101 Ų101107.1 Ų107.184%0.83569%0.685SS**  trans-66.8113171.100000108.5G24G24-A26 PolarHBondContact O-N 3.44Å
27D30.6Very low44.6Very low158 Ų158108.4 Ų108.485%0.84569%0.693SS**  trans-121.1131165-155.18.2000111.9E25 G29E25-D27 PolarHBondContact O-N 2.88Å; D27-G29 PolarHBondContact O-N 3.46Å
28R32.4Very low41.6Very low241 Ų241111.1 Ų111.191%0.90972%0.721SS**  trans-77.9111.9179.3-88.5176.5160.7-168.3-4108.4
29G27.5Very low39.1Very low69 Ų69117.1 Ų117.171%0.71175%0.749SS**  trans55.2101.7141.100000118.9D27D27-G29 PolarHBondContact O-N 3.46Å
30T28.6Very low36.6Very low150 Ų150115.2 Ų115.292%0.9275%0.748SS**  -156.1137.6121.8-23.10000109.6
31H30.6Very low34.6Very low203 Ų203123.1 Ų123.194%0.9478%0.779SS**  trans-57.5133.5-176.5-83.4-82.7000113.8
32G25.9Very low33.4Very low70 Ų70119.3 Ų119.372%0.72278%0.777SS**  trans173.2108.2167.900000111.8S34G32-S34 PolarHBondContact O-N 3.03Å
33S38.5Very low32.5Very low133 Ų133120.4 Ų120.493%0.9378%0.779SS**  trans-55.2117.6-173-170.40000114.5
34S31Very low32.1Very low110 Ų110126.8 Ų126.877%0.76980%0.803SS**  trans-154.1107.5154660000109.7G32 G36G32-S34 PolarHBondContact O-N 3.03Å; S34-G36 PolarHBondContact O-N 3.41Å; S34-G36 VanDerWaalsContact O-N 3.12Å
35G29.4Very low32Very low76 Ų76129.4 Ų129.478%0.78480%0.803SS**  trans-65.5106.7-17600000112.6C37G35-C37 PolarHBondContact O-N 2.95Å
36G28.8Very low32.1Very low73 Ų73124.9 Ų124.975%0.75380%0.798SS**  trans-64.6125.7167.700000110.7S34 C38S34-G36 PolarHBondContact O-N 3.41Å; S34-G36 VanDerWaalsContact O-N 3.12Å; G36-C38 PolarHBondContact O-N 3.3Å; G36-C38 VanDerWaalsContact O-N 3.14Å
37C32.6Very low32.4Very low65 Ų65129.5 Ų129.544%0.43980%0.799SS.*  trans-73.3102.7172.9-71.80000109.1G35 M39G35-C37 PolarHBondContact O-N 2.95Å; C37-M39 PolarHBondContact O-N 3.47Å
38C31.6Very low32.8Very low125 Ų125127.1 Ų127.185%0.84580%0.795SS**  trans-71.3109.3171.852.30000110.2G36G36-C38 PolarHBondContact O-N 3.3Å; G36-C38 VanDerWaalsContact O-N 3.14Å
39M38.3Very low33.4Very low136 Ų136122.9 Ų122.967%0.6779%0.79SS**PPolyproline II helixtrans-74.3142.6166-67.3-67-79.600109.3C37C37-M39 PolarHBondContact O-N 3.47Å
40G32.6Very low34.7Very low67 Ų67124.4 Ų124.469%0.69178%0.782SS**PPolyproline II helixtrans-65.1152-168.500000114.4
41K33.3Very low36.1Very low216 Ų216121.2 Ų121.294%0.93977%0.771SS**PPolyproline II helixtrans-74.1136.2171.7-72.1177.4172.4177.10111.2
42A29.8Very low37.4Very low93 Ų93113.6 Ų113.677%0.76975%0.747SS**  trans-167.9146.313800000113.6
43A29.9Very low39.8Very low92 Ų92112.7 Ų112.776%0.7673%0.73SS**  trans70.6106.2169.100000119.6V45A43-V45 PolarHBondContact O-N 3.44Å
44K32.6Very low41.8Very low219 Ų219109.5 Ų109.595%0.95270%0.7SS**  trans-65.3113.2166-87-177.8173.5178.20110
45V35.9Very low44.4Very low132 Ų132107.1 Ų107.180%0.869%0.687SS**  trans-108.8140.2161.81800000108.6A43 K47A43-V45 PolarHBondContact O-N 3.44Å; V45-K47 PolarHBondContact O-N 3.34Å
46A34.6Very low47.1Very low94 Ų94108 Ų10878%0.77767%0.671SS**  trans-60.6128.3-168.800000113.4S48A46-S48 PolarHBondContact O-N 2.96Å
47K45.6Very low49.9Very low198 Ų198106.5 Ų106.586%0.86165%0.646SS**  trans-77.5106.9171.1-81.2-178169.9-175.50110.1V45V45-K47 PolarHBondContact O-N 3.34Å
48S39.4Very low52.7Low107 Ų107108 Ų10875%0.74864%0.644SS**SBendtrans-15712.3158.963.30000117.2A46A46-S48 PolarHBondContact O-N 2.96Å
49N44.2Very low55.5Low152 Ų152105 Ų10581%0.81363%0.629SS**SBendtrans-140.77.3177.9-108.2-0.1000116
50D55.9Low58Low102 Ų10299.7 Ų99.755%0.54560%0.603SS.*Hα-helixtrans-91.4-24.6-158.7-16036.5000115.3G52 S53 E54D50-G52 PolarHBondContact O-N 3.22Å; D50-S53 PolarHBondContact O-OG 3.07Å; D50-E54 PolarHBondContact O-N 3.5Å
51A57Low60.8Low83 Ų8396.5 Ų96.569%0.68657%0.57SS**Hα-helixtrans-73-30.2-177.100000113.2A55A51-A55 PolarHBondContact O-N 3.36Å
52G59.5Low63.7Low42 Ų4288.6 Ų88.643%0.43354%0.537SS..Hα-helixtrans-72-42.517800000112.4D50 E54 A55 E56D50-G52 PolarHBondContact O-N 3.22Å; G52-E54 PolarHBondContact O-N 3.47Å; G52-A55 PolarHBondContact O-N 2.79Å; G52-E56 WeakPolarHBondContact O-CG 3.43Å; G52-E56 PolarHBondContact O-N 3.4Å; G52-E56 VanDerWaalsContact O-N 3.17Å
53S75.8Confident66.6Low52 Ų5286.7 Ų86.736%0.36452%0.518SS..Hα-helixtrans-64.6-37.5178.2440000112.5D50 L57D50-S53 PolarHBondContact O-OG 3.07Å; S53-L57 WeakPolarHBondContact O-CB 3.36Å; S53-L57 PolarHBondContact O-N 3.5Å
54E81.2Confident69.6Low65 Ų6582.9 Ų82.930%0.30449%0.485SS..Hα-helixtrans-68-43.1178.4-164.6-169.2169.500112.4D50 G52 E56 L57 K58D50-E54 PolarHBondContact O-N 3.5Å; G52-E54 PolarHBondContact O-N 3.47Å; E54-E56 VanDerWaalsContact C-N 3.32Å; E54-E56 PolarHBondContact O-N 3.5Å; E54-L57 PolarHBondContact O-N 2.84Å; E54-K58 WeakPolarHBondContact O-CB 3.43Å; E54-K58 PolarHBondContact O-N 3.41Å
55A84.9Confident72.5Confident61 Ų6172.4 Ų72.450%0.50444%0.439SS..Hα-helixtrans-62.6-40.4177.700000111.8A51 G52 K58 A59A51-A55 PolarHBondContact O-N 3.36Å; G52-A55 PolarHBondContact O-N 2.79Å; A55-K58 WeakPolarHBondContact O-CB 3.49Å; A55-K58 PolarHBondContact O-N 3.06Å; A55-A59 WeakPolarHBondContact O-CB 3.31Å; A55-A59 PolarHBondContact O-N 2.95Å
56E86.2Confident75.1Confident94 Ų9472.8 Ų72.844%0.43943%0.43SS..Hα-helixtrans-67.5-42.9174.9-67.9179.6-168.600112.1G52 E54 K58 A59 L60 V101 G102G52-E56 WeakPolarHBondContact O-CG 3.43Å; G52-E56 PolarHBondContact O-N 3.4Å; G52-E56 VanDerWaalsContact O-N 3.17Å; E54-E56 VanDerWaalsContact C-N 3.32Å; E54-E56 PolarHBondContact O-N 3.5Å; E56-K58 VanDerWaalsContact C-N 3.28Å; E56-K58 PolarHBondContact O-N 3.24Å; E56-A59 PolarHBondContact O-N 3.04Å; E56-L60 WeakPolarHBondContact O-CB 3.5Å; E56-L60 PolarHBondContact O-N 2.79Å; E56-V101 HydrophobicContact CB-CG1 3.64Å; E56-V101 WeakPolarHBondContact OE2-CG1 3.44Å; E56-G102 PolarHBondContact OE2-N 3.45Å; E56-G102 VanDerWaalsContact OE2-N 3.15Å
57L87.4Confident77.8Confident42 Ų4276 Ų7622%0.2243%0.427CS..Hα-helixtrans-59-41.4175.3-176.966.5000111.3S53 E54 T61 V101 Y106 L111 V115S53-L57 WeakPolarHBondContact O-CB 3.36Å; S53-L57 PolarHBondContact O-N 3.5Å; E54-L57 PolarHBondContact O-N 2.84Å; L57-T61 VanDerWaalsContact O-CB 3.31Å; L57-T61 WeakPolarHBondContact O-CB 3.44Å; L57-T61 PolarHBondContact O-N 3.04Å; L57-T61 PolarHBondContact O-OG1 3.02Å; L57-V101 HydrophobicContact CD1-CG2 4.45Å; L57-Y106 HydrophobicContact CD1-CE2 4.38Å; L57-L111 HydrophobicContact CD1-CD1 3.48Å; L57-L111 VanDerWaalsContact CD1-CD1 3.48Å; L57-V115 HydrophobicContact CD1-CG2 4.4Å; L57-V115 HydrophobicContact CD2-CG2 4.49Å; L57-V115 HydrophobicContact CG-CG2 4.39Å
58K90.4Very high80Confident95 Ų9567 Ų6741%0.41339%0.388SS..Hα-helixtrans-61.7-50.3173.6-179.4175-175.9-179.60111.9W14 E54 A55 E56 L60 T61 H62W14-K58 HydrophobicContact CD2-CG 4.16Å; W14-K58 HydrophobicContact CE3-CG 4.34Å; W14-K58 HydrophobicContact CH2-CB 3.37Å; W14-K58 HydrophobicContact CH2-CD 4.31Å; W14-K58 HydrophobicContact CH2-CG 3.62Å; W14-K58 HydrophobicContact CZ2-CB 3.52Å; W14-K58 HydrophobicContact CZ2-CD 3.59Å; W14-K58 HydrophobicContact CZ2-CG 3.38Å; W14-K58 HydrophobicContact CZ3-CB 4.07Å; W14-K58 HydrophobicContact CZ3-CG 4.09Å; E54-K58 WeakPolarHBondContact O-CB 3.43Å; E54-K58 PolarHBondContact O-N 3.41Å; A55-K58 WeakPolarHBondContact O-CB 3.49Å; A55-K58 PolarHBondContact O-N 3.06Å; E56-K58 VanDerWaalsContact C-N 3.28Å; E56-K58 PolarHBondContact O-N 3.24Å; K58-L60 VanDerWaalsContact C-N 3.31Å; K58-L60 PolarHBondContact O-N 2.87Å; K58-T61 PolarHBondContact O-N 3.39Å; K58-H62 WeakPolarHBondContact O-CB 3.41Å; K58-H62 PolarHBondContact O-CD2 3.06Å; K58-H62 PolarHBondContact O-N 3.47Å
59A91.2Very high82.6Confident63 Ų6369.1 Ų69.152%0.52138%0.384SS..Hα-helixtrans-59-44.5179.300000111.5A55 E56 H62 S63A55-A59 WeakPolarHBondContact O-CB 3.31Å; A55-A59 PolarHBondContact O-N 2.95Å; E56-A59 PolarHBondContact O-N 3.04Å; A59-H62 PolarHBondContact O-N 2.96Å; A59-S63 WeakPolarHBondContact O-CB 3.42Å; A59-S63 PolarHBondContact O-N 2.94Å
60L90.7Very high85.1Confident25 Ų2564.6 Ų64.613%0.13136%0.357CS..Hα-helixtrans-63-48.8177.4-174.665.6000111.8E56 K58 H62 S63 V64 A99 V101 Y106 L111E56-L60 WeakPolarHBondContact O-CB 3.5Å; E56-L60 PolarHBondContact O-N 2.79Å; K58-L60 VanDerWaalsContact C-N 3.31Å; K58-L60 PolarHBondContact O-N 2.87Å; L60-H62 VanDerWaalsContact C-N 3.31Å; L60-H62 PolarHBondContact O-N 3.31Å; L60-S63 WeakPolarHBondContact O-CB 3.35Å; L60-S63 PolarHBondContact O-N 3.33Å; L60-S63 VanDerWaalsContact O-N 3.11Å; L60-V64 WeakPolarHBondContact O-CG2 3.41Å; L60-V64 PolarHBondContact O-N 3.12Å; L60-A99 HydrophobicContact CD1-CB 3.75Å; L60-A99 HydrophobicContact CD2-CB 3.62Å; L60-A99 HydrophobicContact CG-CB 3.89Å; L60-V101 HydrophobicContact CB-CG2 3.96Å; L60-V101 HydrophobicContact CD2-CG2 3.27Å; L60-V101 HydrophobicContact CG-CG2 4.23Å; L60-Y106 HydrophobicContact CD2-CD2 4.18Å; L60-L111 HydrophobicContact CD2-CD1 4.18Å; L60-L111 HydrophobicContact CD2-CD2 4.09Å; L60-L111 HydrophobicContact CG-CD2 4.07Å
61T92.4Very high87Confident0 Ų067.8 Ų67.80%037%0.367CS..Hα-helixtrans-57.6-46.4177.8-57.90000110.7W14 L57 K58 S63 V64 L65 V115W14-T61 HydrophobicContact CE3-CG2 4.05Å; W14-T61 HydrophobicContact CZ3-CG2 3.93Å; L57-T61 VanDerWaalsContact O-CB 3.31Å; L57-T61 WeakPolarHBondContact O-CB 3.44Å; L57-T61 PolarHBondContact O-N 3.04Å; L57-T61 PolarHBondContact O-OG1 3.02Å; K58-T61 PolarHBondContact O-N 3.39Å; T61-S63 VanDerWaalsContact C-N 3.34Å; T61-S63 PolarHBondContact O-N 3.21Å; T61-V64 PolarHBondContact O-N 3.09Å; T61-L65 HydrophobicContact CG2-CD1 4Å; T61-L65 HydrophobicContact CG2-CG 4.21Å; T61-L65 WeakPolarHBondContact O-CB 3.24Å; T61-L65 VanDerWaalsContact O-CG 3.28Å; T61-L65 WeakPolarHBondContact O-CG 3.3Å; T61-L65 PolarHBondContact O-N 3.38Å; T61-V115 HydrophobicContact CG2-CG1 4.14Å; T61-V115 HydrophobicContact CG2-CG2 4.22Å; T61-V115 WeakPolarHBondContact OG1-CG2 3.23Å
62H93.4Very high88.8Confident50 Ų5066.3 Ų66.323%0.23135%0.345CS..Hα-helixtrans-62-39.8176.6-87.8-106.4000112.6W14 K58 A59 L60 K66W14-H62 AromaticContact CD2-NE2 3.75Å; W14-H62 AromaticContact CE3-CD2 3.98Å; W14-H62 AromaticContact CG-NE2 3.64Å; K58-H62 WeakPolarHBondContact O-CB 3.41Å; K58-H62 PolarHBondContact O-CD2 3.06Å; K58-H62 PolarHBondContact O-N 3.47Å; A59-H62 PolarHBondContact O-N 2.96Å; L60-H62 VanDerWaalsContact C-N 3.31Å; L60-H62 PolarHBondContact O-N 3.31Å; H62-K66 WeakPolarHBondContact O-CB 3.35Å; H62-K66 WeakPolarHBondContact O-CG 3.42Å; H62-K66 PolarHBondContact O-N 3.17Å
63S91.6Very high90.6Very high53 Ų5364.3 Ų64.337%0.37133%0.325SS..Hα-helixtrans-61.7-44.5175.5-1760000111.5A59 L60 T61 K66 K67A59-S63 WeakPolarHBondContact O-CB 3.42Å; A59-S63 PolarHBondContact O-N 2.94Å; L60-S63 WeakPolarHBondContact O-CB 3.35Å; L60-S63 PolarHBondContact O-N 3.33Å; L60-S63 VanDerWaalsContact O-N 3.11Å; T61-S63 VanDerWaalsContact C-N 3.34Å; T61-S63 PolarHBondContact O-N 3.21Å; S63-K66 PolarHBondContact O-N 3.33Å; S63-K67 WeakPolarHBondContact O-CG 3.5Å
64V91.7Very high91.6Very high11 Ų1165.1 Ų65.17%0.06732%0.323CS..Hα-helixtrans-63.6-52.2176.4165.30000111.3L60 T61 K66 K67 I68 A99 L108 L111L60-V64 WeakPolarHBondContact O-CG2 3.41Å; L60-V64 PolarHBondContact O-N 3.12Å; T61-V64 PolarHBondContact O-N 3.09Å; V64-K66 PolarHBondContact O-N 2.85Å; V64-K67 WeakPolarHBondContact O-CB 3.09Å; V64-K67 PolarHBondContact O-N 3.19Å; V64-I68 HydrophobicContact CG1-CD1 4.42Å; V64-I68 PolarHBondContact O-N 2.76Å; V64-A99 HydrophobicContact CG2-CB 4.11Å; V64-L108 HydrophobicContact CB-CD1 4.47Å; V64-L108 HydrophobicContact CG1-CD1 3.21Å; V64-L108 HydrophobicContact CG2-CD1 4.47Å; V64-L111 HydrophobicContact CB-CD2 4.22Å; V64-L111 HydrophobicContact CG1-CD2 4.47Å; V64-L111 HydrophobicContact CG2-CD2 3.76Å
65L93.5Very high92.3Very high0 Ų063.7 Ų63.70%032%0.319CS..Hα-helixtrans-60.6-33.2-178.5-67.4-179.7000112.2V10 L13 T61 K67 I68 L73 L76 L112V10-L65 HydrophobicContact CG1-CB 4.17Å; V10-L65 HydrophobicContact CG1-CD1 4.1Å; V10-L65 HydrophobicContact CG2-CB 4.06Å; L13-L65 HydrophobicContact CB-CD1 4.06Å; L13-L65 HydrophobicContact CD1-CD1 4.11Å; L13-L65 HydrophobicContact CD1-CD2 3.99Å; T61-L65 HydrophobicContact CG2-CD1 4Å; T61-L65 HydrophobicContact CG2-CG 4.21Å; T61-L65 WeakPolarHBondContact O-CB 3.24Å; T61-L65 VanDerWaalsContact O-CG 3.28Å; T61-L65 WeakPolarHBondContact O-CG 3.3Å; T61-L65 PolarHBondContact O-N 3.38Å; L65-K67 PolarHBondContact O-N 3.02Å; L65-I68 HydrophobicContact CD2-CD1 4.09Å; L65-I68 PolarHBondContact O-N 3.35Å; L65-L73 HydrophobicContact CB-CD2 4.21Å; L65-L73 HydrophobicContact CD2-CD2 3.98Å; L65-L76 HydrophobicContact CD2-CD2 3.78Å; L65-L112 HydrophobicContact CD2-CD2 4.27Å
66K91.3Very high92.9Very high139 Ų13960.9 Ų60.960%0.60430%0.295SS*.Hα-helixtrans-65.5-25.5175.6-77.6173.6-178.6-179.50113.5H62 S63 V64H62-K66 WeakPolarHBondContact O-CB 3.35Å; H62-K66 WeakPolarHBondContact O-CG 3.42Å; H62-K66 PolarHBondContact O-N 3.17Å; S63-K66 PolarHBondContact O-N 3.33Å; V64-K66 PolarHBondContact O-N 2.85Å
67K90Very high93.4Very high162 Ų16256.7 Ų56.770%0.70428%0.275SS*.Hα-helixtrans-85-16.5178.6-65.7175.7-177.6-178.30113.2S63 V64 L65S63-K67 WeakPolarHBondContact O-CG 3.5Å; V64-K67 WeakPolarHBondContact O-CB 3.09Å; V64-K67 PolarHBondContact O-N 3.19Å; L65-K67 PolarHBondContact O-N 3.02Å
68I92.5Very high93.8Very high9 Ų959.5 Ų59.55%0.04629%0.287CS..SBendtrans-76.5141.7179-61.4175.6000110.2V64 L65 Q72 L73 L93V64-I68 HydrophobicContact CG1-CD1 4.42Å; V64-I68 PolarHBondContact O-N 2.76Å; L65-I68 HydrophobicContact CD2-CD1 4.09Å; L65-I68 PolarHBondContact O-N 3.35Å; I68-Q72 HydrophobicContact CG2-CB 3.43Å; I68-Q72 VanDerWaalsContact CG2-CB 3.43Å; I68-L73 HydrophobicContact CB-CD2 3.89Å; I68-L73 HydrophobicContact CB-CG 4.04Å; I68-L73 HydrophobicContact CD1-CD2 4.43Å; I68-L73 HydrophobicContact CG2-CD2 4.01Å; I68-L73 HydrophobicContact CG2-CG 3.92Å; I68-L93 HydrophobicContact CD1-CD1 3.79Å; I68-L93 HydrophobicContact CG1-CD1 4.21Å; I68-L93 HydrophobicContact CG1-CD2 4.47Å; I68-L93 HydrophobicContact CG2-CD2 4.32Å
69K94.2Very high94.1Very high152 Ų15255 Ų5566%0.66127%0.268SS*.  trans-62.8148.3177.4-63.4179.8179.5177.40110.5K71 Q72 L73K69-K71 PolarHBondContact O-N 3.46Å; K69-Q72 HydrophobicContact CB-CB 4.39Å; K69-Q72 HydrophobicContact CB-CG 4.36Å; K69-Q72 WeakPolarHBondContact O-CA 3.43Å; K69-Q72 WeakPolarHBondContact O-CB 3.43Å; K69-Q72 PolarHBondContact O-N 3.42Å; K69-L73 PolarHBondContact O-N 3.32Å
70E95.6Very high94.3Very high56 Ų5652.2 Ų52.226%0.26224%0.244SC..Hα-helixtrans-59.2-44.4-173.9-167.1172.4112.600113.2K5 L9 Q72 L73 E74K5-E70 WeakPolarHBondContact CD-OE1 3.4Å; K5-E70 VanDerWaalsContact CE-OE1 3.23Å; K5-E70 WeakPolarHBondContact CE-OE1 3.45Å; K5-E70 WeakPolarHBondContact CG-OE1 3.47Å; K5-E70 IonicContact NZ-OE1 2.78Å; K5-E70 PolarHBondContact NZ-OE1 3.18Å; L9-E70 HydrophobicContact CD1-CG 3.74Å; E70-Q72 VanDerWaalsContact C-N 3.26Å; E70-Q72 PolarHBondContact O-N 3.38Å; E70-L73 WeakPolarHBondContact O-CB 3.22Å; E70-L73 PolarHBondContact O-N 3.1Å; E70-L73 VanDerWaalsContact O-N 3.09Å; E70-E74 PolarHBondContact O-N 3.37Å
71K95.8Very high94.5Very high170 Ų17054.9 Ų54.974%0.73926%0.256SS*.Hα-helixtrans-58.4-37.2174.4-66.4-172.5176-174.60112.8K69 E74 V75K69-K71 PolarHBondContact O-N 3.46Å; K71-E74 PolarHBondContact O-N 2.96Å; K71-V75 WeakPolarHBondContact O-CG2 3.48Å; K71-V75 PolarHBondContact O-N 3Å; K71-V75 VanDerWaalsContact O-N 3.14Å
72Q96.2Very high94.4Very high51 Ų5155.9 Ų55.924%0.23826%0.263CS..Hα-helixtrans-72.6-32.6177.7-74.2178.9-45.200111.9I68 K69 E70 V75 L76 L91 L92I68-Q72 HydrophobicContact CG2-CB 3.43Å; I68-Q72 VanDerWaalsContact CG2-CB 3.43Å; K69-Q72 HydrophobicContact CB-CB 4.39Å; K69-Q72 HydrophobicContact CB-CG 4.36Å; K69-Q72 WeakPolarHBondContact O-CA 3.43Å; K69-Q72 WeakPolarHBondContact O-CB 3.43Å; K69-Q72 PolarHBondContact O-N 3.42Å; E70-Q72 VanDerWaalsContact C-N 3.26Å; E70-Q72 PolarHBondContact O-N 3.38Å; Q72-V75 PolarHBondContact O-N 2.9Å; Q72-L76 WeakPolarHBondContact O-CB 3.46Å; Q72-L76 PolarHBondContact O-N 3.39Å; Q72-L91 HydrophobicContact CB-CD1 3.71Å; Q72-L91 HydrophobicContact CG-CD1 4.09Å; Q72-L92 PolarHBondContact NE2-O 3.06Å
73L96.9Very high94.2Very high0 Ų061.1 Ų61.10%029%0.285CS..Hα-helixtrans-66.4-37.5171.7-71.9172.9000112R6 L9 V10 L13 L65 I68 K69 E70 L76 L77R6-L73 HydrophobicContact CG-CD1 4.07Å; L9-L73 HydrophobicContact CB-CB 4.34Å; L9-L73 HydrophobicContact CD1-CB 3.95Å; V10-L73 HydrophobicContact CG2-CD1 4.31Å; L13-L73 HydrophobicContact CD1-CD2 3.73Å; L65-L73 HydrophobicContact CB-CD2 4.21Å; L65-L73 HydrophobicContact CD2-CD2 3.98Å; I68-L73 HydrophobicContact CB-CD2 3.89Å; I68-L73 HydrophobicContact CB-CG 4.04Å; I68-L73 HydrophobicContact CD1-CD2 4.43Å; I68-L73 HydrophobicContact CG2-CD2 4.01Å; I68-L73 HydrophobicContact CG2-CG 3.92Å; K69-L73 PolarHBondContact O-N 3.32Å; E70-L73 WeakPolarHBondContact O-CB 3.22Å; E70-L73 PolarHBondContact O-N 3.1Å; E70-L73 VanDerWaalsContact O-N 3.09Å; L73-L76 PolarHBondContact O-N 2.87Å; L73-L77 VanDerWaalsContact O-CB 3.24Å; L73-L77 WeakPolarHBondContact O-CB 3.48Å; L73-L77 PolarHBondContact O-N 3.42Å
74E96.8Very high93.9Very high70 Ų7059.1 Ų59.133%0.32727%0.274SS..Hα-helixtrans-63.3-45.6174.4-68.7170.1166.100111.3K5 L9 E70 K71 L77 Q78K5-E74 WeakPolarHBondContact CE-OE1 3.44Å; K5-E74 IonicContact NZ-OE1 2.63Å; K5-E74 PolarHBondContact NZ-OE1 2.69Å; L9-E74 HydrophobicContact CD1-CG 3.79Å; L9-E74 HydrophobicContact CD2-CG 4.09Å; E70-E74 PolarHBondContact O-N 3.37Å; K71-E74 PolarHBondContact O-N 2.96Å; E74-L77 PolarHBondContact O-N 2.84Å; E74-Q78 WeakPolarHBondContact O-CB 3.37Å; E74-Q78 PolarHBondContact O-N 3.15Å
75V96.4Very high93.6Very high35 Ų3558.8 Ų58.821%0.21227%0.272CS..Hα-helixtrans-59.4-47.5174.5168.10000111.4K71 Q72 L77 Q78 A79 P89K71-V75 WeakPolarHBondContact O-CG2 3.48Å; K71-V75 PolarHBondContact O-N 3Å; K71-V75 VanDerWaalsContact O-N 3.14Å; Q72-V75 PolarHBondContact O-N 2.9Å; V75-L77 VanDerWaalsContact C-N 3.31Å; V75-L77 PolarHBondContact O-N 2.75Å; V75-Q78 PolarHBondContact O-N 3.28Å; V75-A79 WeakPolarHBondContact O-CB 3.28Å; V75-A79 PolarHBondContact O-N 2.9Å; V75-P89 HydrophobicContact CG1-CG 3.75Å; V75-P89 HydrophobicContact CG2-CG 4.25Å
76L97.2Very high93.3Very high1 Ų160 Ų601%0.00528%0.282CS..Hα-helixtrans-61-42.7177.2179.857.3000111.2L13 L65 Q72 L73 A79 V80 L91 L112 F116 P148L13-L76 HydrophobicContact CD1-CD2 4.09Å; L13-L76 HydrophobicContact CD1-CG 4.44Å; L13-L76 HydrophobicContact CD2-CB 4.38Å; L13-L76 HydrophobicContact CD2-CD2 4.13Å; L13-L76 HydrophobicContact CD2-CG 3.77Å; L65-L76 HydrophobicContact CD2-CD2 3.78Å; Q72-L76 WeakPolarHBondContact O-CB 3.46Å; Q72-L76 PolarHBondContact O-N 3.39Å; L73-L76 PolarHBondContact O-N 2.87Å; L76-A79 PolarHBondContact O-N 3.45Å; L76-V80 HydrophobicContact CD1-CG2 3.93Å; L76-V80 HydrophobicContact CG-CG2 4.4Å; L76-V80 VanDerWaalsContact O-CG2 3.3Å; L76-V80 WeakPolarHBondContact O-CG2 3.49Å; L76-V80 PolarHBondContact O-N 3.27Å; L76-L91 HydrophobicContact CB-CD2 3.88Å; L76-L91 HydrophobicContact CD1-CD2 3.82Å; L76-L91 HydrophobicContact CD2-CD2 4.15Å; L76-L91 HydrophobicContact CG-CD2 4.14Å; L76-L112 HydrophobicContact CD2-CD2 4.34Å; L76-F116 HydrophobicContact CD1-CD2 4.5Å; L76-F116 HydrophobicContact CD1-CE2 4.44Å; L76-F116 HydrophobicContact CD2-CE2 4.11Å; L76-P148 HydrophobicContact CD1-CG 4.23Å
77L97.2Very high93.1Very high6 Ų661.3 Ų61.33%0.03128%0.283CS..Hα-helixtrans-64.1-45.6-179.7-178.463.8000111.5L9 R12 L13 L73 E74 V75 A79 V80 E81L9-L77 HydrophobicContact CD2-CD2 3.56Å; R12-L77 HydrophobicContact CB-CD1 3.79Å; R12-L77 HydrophobicContact CB-CD2 4.08Å; L13-L77 HydrophobicContact CD2-CB 3.91Å; L13-L77 HydrophobicContact CD2-CD1 3.85Å; L13-L77 HydrophobicContact CG-CB 4.16Å; L13-L77 HydrophobicContact CG-CD1 3.88Å; L73-L77 VanDerWaalsContact O-CB 3.24Å; L73-L77 WeakPolarHBondContact O-CB 3.48Å; L73-L77 PolarHBondContact O-N 3.42Å; E74-L77 PolarHBondContact O-N 2.84Å; V75-L77 VanDerWaalsContact C-N 3.31Å; V75-L77 PolarHBondContact O-N 2.75Å; L77-A79 VanDerWaalsContact C-N 3.32Å; L77-A79 PolarHBondContact O-N 2.95Å; L77-V80 PolarHBondContact O-N 2.91Å; L77-E81 HydrophobicContact CD1-CG 3.85Å; L77-E81 WeakPolarHBondContact CD1-OE1 3.2Å; L77-E81 HydrophobicContact CG-CG 4.32Å; L77-E81 WeakPolarHBondContact O-CB 3.15Å; L77-E81 WeakPolarHBondContact O-CG 3.14Å; L77-E81 PolarHBondContact O-N 3.42Å
78Q95.6Very high93.2Very high101 Ų10154.3 Ų54.347%0.47225%0.254SS..Hα-helixtrans-58.5-45.6174.3-176.2-174.64.600111.2E74 V75 S82E74-Q78 WeakPolarHBondContact O-CB 3.37Å; E74-Q78 PolarHBondContact O-N 3.15Å; V75-Q78 PolarHBondContact O-N 3.28Å; Q78-S82 VanDerWaalsContact O-CB 3.24Å; Q78-S82 WeakPolarHBondContact O-CB 3.45Å; Q78-S82 PolarHBondContact O-N 3.42Å; Q78-S82 PolarHBondContact O-OG 3.48Å
79A95.4Very high93.3Very high0 Ų056.9 Ų56.90%027%0.272CS..Hα-helixtrans-58.5-51.5178.500000111.2V75 L76 L77 S82 S88 H149V75-A79 WeakPolarHBondContact O-CB 3.28Å; V75-A79 PolarHBondContact O-N 2.9Å; L76-A79 PolarHBondContact O-N 3.45Å; L77-A79 VanDerWaalsContact C-N 3.32Å; L77-A79 PolarHBondContact O-N 2.95Å; A79-S82 PolarHBondContact O-N 3.34Å; A79-S82 PolarHBondContact O-OG 3.39Å; A79-S88 WeakPolarHBondContact CB-OG 3.47Å; A79-H149 PolarHBondContact O-CD2 2.97Å; A79-H149 PolarHBondContact O-NE2 2.86Å
80V96Very high93.4Very high5 Ų550.6 Ų50.63%0.0325%0.247CC..Hα-helixtrans-66.8-45.2-177.31750000111.9L13 S16 L76 L77 S82 K83 F116 P148L13-V80 HydrophobicContact CD2-CG2 4.42Å; S16-V80 WeakPolarHBondContact O-CG1 3.47Å; L76-V80 HydrophobicContact CD1-CG2 3.93Å; L76-V80 HydrophobicContact CG-CG2 4.4Å; L76-V80 VanDerWaalsContact O-CG2 3.3Å; L76-V80 WeakPolarHBondContact O-CG2 3.49Å; L76-V80 PolarHBondContact O-N 3.27Å; L77-V80 PolarHBondContact O-N 2.91Å; V80-S82 VanDerWaalsContact C-N 3.3Å; V80-S82 PolarHBondContact O-N 3.36Å; V80-K83 PolarHBondContact O-N 2.73Å; V80-F116 HydrophobicContact CB-CD1 4.45Å; V80-F116 HydrophobicContact CG1-CB 4.32Å; V80-F116 HydrophobicContact CG1-CD1 3.71Å; V80-F116 HydrophobicContact CG1-CE1 4.4Å; V80-F116 HydrophobicContact CG1-CG 4.22Å; V80-F116 HydrophobicContact CG2-CB 3.93Å; V80-F116 HydrophobicContact CG2-CD1 3.86Å; V80-F116 HydrophobicContact CG2-CD2 4.07Å; V80-F116 HydrophobicContact CG2-CE1 4.43Å; V80-F116 HydrophobicContact CG2-CG 3.67Å; V80-P148 HydrophobicContact CG2-CG 4.46Å
81E94.1Very high93.4Very high81 Ų8148 Ų4838%0.37924%0.235SC..Hα-helixtrans-68.3-30.1-179.5-72.8-179.4160.700112.2R12 L77 K83R12-E81 IonicContact CZ-OE1 3.87Å; R12-E81 IonicContact CZ-OE2 3.63Å; R12-E81 IonicContact NE-OE1 3.44Å; R12-E81 PolarHBondContact NE-OE1 3.16Å; R12-E81 IonicContact NH2-OE1 2.75Å; R12-E81 PolarHBondContact NH2-OE1 3.32Å; R12-E81 IonicContact NH2-OE2 3.03Å; R12-E81 PolarHBondContact NH2-OE2 2.94Å; L77-E81 HydrophobicContact CD1-CG 3.85Å; L77-E81 WeakPolarHBondContact CD1-OE1 3.2Å; L77-E81 HydrophobicContact CG-CG 4.32Å; L77-E81 WeakPolarHBondContact O-CB 3.15Å; L77-E81 WeakPolarHBondContact O-CG 3.14Å; L77-E81 PolarHBondContact O-N 3.42Å; E81-K83 PolarHBondContact O-N 3.11Å
82S91.9Very high93.3Very high21 Ų2142.7 Ų42.715%0.14721%0.214CC..Hα-helixtrans-68.5-20.6175.677.60000113.5Q78 A79 V80 G84 G85Q78-S82 VanDerWaalsContact O-CB 3.24Å; Q78-S82 WeakPolarHBondContact O-CB 3.45Å; Q78-S82 PolarHBondContact O-N 3.42Å; Q78-S82 PolarHBondContact O-OG 3.48Å; A79-S82 PolarHBondContact O-N 3.34Å; A79-S82 PolarHBondContact O-OG 3.39Å; V80-S82 VanDerWaalsContact C-N 3.3Å; V80-S82 PolarHBondContact O-N 3.36Å; S82-G84 PolarHBondContact O-N 3.06Å; S82-G84 VanDerWaalsContact O-N 3.1Å; S82-G84 PolarHBondContact OG-N 3.02Å; S82-G85 PolarHBondContact O-N 3.28Å
83K89.2Confident93.1Very high160 Ų16040.5 Ų40.570%0.69620%0.204SC*.THydrogen-bonded Turntrans50.532.1-174.1-59.3-178.7-179.4179.40113.3V80 E81V80-K83 PolarHBondContact O-N 2.73Å; E81-K83 PolarHBondContact O-N 3.11Å
84G85.3Confident92.7Very high12 Ų1244 Ų4412%0.12423%0.227CC..THydrogen-bonded Turntrans81.29.3-176.800000115S82 H149 R287S82-G84 PolarHBondContact O-N 3.06Å; S82-G84 VanDerWaalsContact O-N 3.1Å; S82-G84 PolarHBondContact OG-N 3.02Å; G84-H149 PolarHBondContact N-CE1 3.09Å; G84-H149 PolarHBondContact N-ND1 2.86Å; G84-R287 PolarHBondContact O-NH2 2.79Å
85G85.1Confident91.9Very high4 Ų442.3 Ų42.34%0.04122%0.222CC..SBendtrans-77.8-27.3173.800000114.1S82 L242 Y271S82-G85 PolarHBondContact O-N 3.28Å; G85-L242 WeakPolarHBondContact O-CD1 3.34Å; G85-Y271 VanDerWaalsContact N-CE2 3.34Å
86A86.9Confident90.6Very high24 Ų2449 Ų4920%0.19825%0.249CC..SBendtrans-112.4142.9173.500000109.9S88A86-S88 PolarHBondContact O-N 3.03Å
87R87.1Confident89.1Confident168 Ų16851.5 Ų51.563%0.63426%0.264SS*.  trans-65.9131.2168.1-70.1-169.3175.7-149.7-1.5108.1D237R87-D237 IonicContact NH2-OD2 3.41Å; R87-D237 PolarHBondContact NH2-OD2 2.72Å
88S91.9Very high87.7Confident14 Ų1456.4 Ų56.410%0.09829%0.29CS..  trans-125.6146.1177.649.90000109.6A79 A86 N147 H150A79-S88 WeakPolarHBondContact CB-OG 3.47Å; A86-S88 PolarHBondContact O-N 3.03Å; S88-N147 PolarHBondContact OG-ND2 3.11Å; S88-H150 PolarHBondContact O-CE1 3.22Å; S88-H150 PolarHBondContact O-NE2 3.49Å
89P94.6Very high86.6Confident64 Ų6451.9 Ų51.942%0.41627%0.27SS..  trans-71.2168.7-177.229.2-34.3000111.8V75 L91 N147 H150V75-P89 HydrophobicContact CG1-CG 3.75Å; V75-P89 HydrophobicContact CG2-CG 4.25Å; P89-L91 PolarHBondContact O-N 3.11Å; P89-N147 PolarHBondContact O-ND2 3.45Å; P89-H150 PolarHBondContact O-CE1 3.36Å
90C95.4Very high85.4Confident19 Ų1959.6 Ų59.613%0.12830%0.303CS..  trans-65.6134.7174.3-74.40000111.1L92 E134 C145 H150C90-L92 HydrophobicContact CB-CD2 4.01Å; C90-L92 HydrophobicContact CB-CG 4.16Å; C90-L92 PolarHBondContact O-N 3.03Å; C90-E134 PolarHBondContact SG-N 2.84Å; C90-C145 HydrophobicContact CB-CB 4.31Å; C90-H150 PolarHBondContact N-CE1 3.31Å; C90-H150 PolarHBondContact SG-CE1 2.82Å; C90-H150 PolarHBondContact SG-ND1 3.36Å
91L95.5Very high83.8Confident2 Ų260 Ų601%0.0131%0.306CS..  trans-94.582.7171.5178.464.1000108.8Q72 L76 P89 L93 C145 C146 N147Q72-L91 HydrophobicContact CB-CD1 3.71Å; Q72-L91 HydrophobicContact CG-CD1 4.09Å; L76-L91 HydrophobicContact CB-CD2 3.88Å; L76-L91 HydrophobicContact CD1-CD2 3.82Å; L76-L91 HydrophobicContact CD2-CD2 4.15Å; L76-L91 HydrophobicContact CG-CD2 4.14Å; P89-L91 PolarHBondContact O-N 3.11Å; L91-L93 HydrophobicContact CD1-CD1 4.47Å; L91-L93 HydrophobicContact CD1-CD2 4.24Å; L91-L93 HydrophobicContact CD1-CG 4.35Å; L91-L93 HydrophobicContact CD2-CD1 4.06Å; L91-L93 HydrophobicContact CG-CD1 3.99Å; L91-L93 HydrophobicContact CG-CD2 4.47Å; L91-L93 HydrophobicContact CG-CG 4.03Å; L91-L93 PolarHBondContact O-N 3.39Å; L91-C145 PolarHBondContact N-SG 3.14Å; L91-C145 VanDerWaalsContact N-SG 3.45Å; L91-C145 CarbonylContact O-C 3.54Å; L91-C145 WeakPolarHBondContact O-CA 3.32Å; L91-C146 HydrophobicContact CB-CB 4.49Å; L91-C146 HydrophobicContact CD2-CB 3.98Å; L91-C146 HydrophobicContact CG-CB 4.19Å; L91-C146 PolarHBondContact O-N 3.14Å; L91-N147 HydrophobicContact CB-CB 4.14Å
92L94.4Very high82.5Confident59 Ų5958.9 Ų58.931%0.30932%0.316SS..EExtended strand (participates in β ladder)trans-77.9115.7-178.6-59.1-178.8000110.9Q72 C90 L143 V144 C145Q72-L92 PolarHBondContact NE2-O 3.06Å; C90-L92 HydrophobicContact CB-CD2 4.01Å; C90-L92 HydrophobicContact CB-CG 4.16Å; C90-L92 PolarHBondContact O-N 3.03Å; L92-L143 HydrophobicContact CB-CB 4.41Å; L92-L143 HydrophobicContact CB-CD1 4.45Å; L92-V144 WeakPolarHBondContact CA-O 3.28Å; L92-C145 HydrophobicContact CD2-CB 4.02Å
93L92.3Very high81.2Confident5 Ų567.4 Ų67.43%0.02635%0.353CS..EExtended strand (participates in β ladder)trans-126.8156.5179.1-59.5176.9000110.7I68 L91 S95 L108 L112 L143 V144 C146I68-L93 HydrophobicContact CD1-CD1 3.79Å; I68-L93 HydrophobicContact CG1-CD1 4.21Å; I68-L93 HydrophobicContact CG1-CD2 4.47Å; I68-L93 HydrophobicContact CG2-CD2 4.32Å; L91-L93 HydrophobicContact CD1-CD1 4.47Å; L91-L93 HydrophobicContact CD1-CD2 4.24Å; L91-L93 HydrophobicContact CD1-CG 4.35Å; L91-L93 HydrophobicContact CD2-CD1 4.06Å; L91-L93 HydrophobicContact CG-CD1 3.99Å; L91-L93 HydrophobicContact CG-CD2 4.47Å; L91-L93 HydrophobicContact CG-CG 4.03Å; L91-L93 PolarHBondContact O-N 3.39Å; L93-S95 PolarHBondContact O-N 3.41Å; L93-L108 HydrophobicContact CB-CD2 3.57Å; L93-L108 HydrophobicContact CD1-CD2 3.66Å; L93-L108 HydrophobicContact CD1-CG 4.27Å; L93-L108 HydrophobicContact CG-CD2 4.23Å; L93-L112 HydrophobicContact CD1-CD1 4.42Å; L93-L143 WeakPolarHBondContact O-CA 3.43Å; L93-V144 PolarHBondContact N-O 3.49Å; L93-V144 PolarHBondContact O-N 2.98Å; L93-C146 HydrophobicContact CD1-CB 3.84Å; L93-C146 HydrophobicContact CG-CB 4.35Å
94P89.4Confident80.2Confident73 Ų7364.3 Ų64.347%0.47434%0.341SS..EExtended strand (participates in β ladder)trans-60.6129.6179.5-24.334.8000113K96 V97 D142P94-K96 VanDerWaalsContact C-N 3.32Å; P94-K96 PolarHBondContact O-N 3.27Å; P94-V97 HydrophobicContact CB-CG2 4.27Å; P94-D142 VanDerWaalsContact CA-O 3.31Å; P94-D142 WeakPolarHBondContact CA-O 3.3Å
95S79.3Confident79.8Confident34 Ų3467.5 Ų67.524%0.23836%0.362CS..THydrogen-bonded Turntrans-67.5-26.9-174.2-59.20000114.3L93 V97 D142 V144L93-S95 PolarHBondContact O-N 3.41Å; S95-V97 VanDerWaalsContact C-N 3.29Å; S95-V97 PolarHBondContact O-N 3.41Å; S95-D142 PolarHBondContact N-O 3.14Å; S95-D142 PolarHBondContact OG-O 3.48Å; S95-V144 PolarHBondContact OG-N 3.07Å
96K69.1Low79.6Confident176 Ų17668.3 Ų68.377%0.76536%0.364SS*.THydrogen-bonded Turntrans-86.313.9-171.2-59.2-178.2-177.1174.60114.8P94 D98P94-K96 VanDerWaalsContact C-N 3.32Å; P94-K96 PolarHBondContact O-N 3.27Å; K96-D98 PolarHBondContact O-N 3.26Å
97V66.1Low79.7Confident53 Ų5369.3 Ų69.332%0.32137%0.37SS..  trans-94.186.6179-173.20000108.9P94 S95P94-V97 HydrophobicContact CB-CG2 4.27Å; S95-V97 VanDerWaalsContact C-N 3.29Å; S95-V97 PolarHBondContact O-N 3.41Å
98D67.4Low79.8Confident109 Ų10961.6 Ų61.658%0.58334%0.341SS*.EExtended strand (participates in β ladder)trans-79.7138170.8-70.9-31.8000110.9K96K96-D98 PolarHBondContact O-N 3.26Å
99A71.7Confident79.8Confident6 Ų661.6 Ų61.65%0.0534%0.34CS..EExtended strand (participates in β ladder)trans-120.8123.8-17500000108.3L60 V64 Y106 L111L60-A99 HydrophobicContact CD1-CB 3.75Å; L60-A99 HydrophobicContact CD2-CB 3.62Å; L60-A99 HydrophobicContact CG-CB 3.89Å; V64-A99 HydrophobicContact CG2-CB 4.11Å; A99-Y106 PolarHBondContact N-O 3.25Å; A99-Y106 PolarHBondContact O-N 3.4Å; A99-L111 HydrophobicContact CB-CD2 4.12Å
100K70.9Confident79.7Confident162 Ų16259.5 Ų59.570%0.70433%0.325SS*.EExtended strand (participates in β ladder)trans-106.8135.3-173.9-63.1-175.4178.9-176.20112.1Q104K100-Q104 WeakPolarHBondContact CA-O 3.44Å
101V61.6Low79.5Confident15 Ų1558.6 Ų58.69%0.09132%0.319CS..EExtended strand (participates in β ladder)trans-124.1118168.3174.80000107.3E56 L57 L60 Q103 Q104 Y106E56-V101 HydrophobicContact CB-CG1 3.64Å; E56-V101 WeakPolarHBondContact OE2-CG1 3.44Å; L57-V101 HydrophobicContact CD1-CG2 4.45Å; L60-V101 HydrophobicContact CB-CG2 3.96Å; L60-V101 HydrophobicContact CD2-CG2 3.27Å; L60-V101 HydrophobicContact CG-CG2 4.23Å; V101-Q103 PolarHBondContact O-N 3.3Å; V101-Q103 VanDerWaalsContact O-N 3.16Å; V101-Q104 PolarHBondContact N-O 2.83Å; V101-Q104 WeakPolarHBondContact O-CA 3.47Å; V101-Q104 PolarHBondContact O-N 3.35Å; V101-Q104 VanDerWaalsContact O-O 3.12Å; V101-Y106 HydrophobicContact CB-CE2 3.92Å; V101-Y106 HydrophobicContact CG2-CD2 4.11Å; V101-Y106 HydrophobicContact CG2-CE2 3.72Å
102G66.6Low79.5Confident56 Ų5658.5 Ų58.558%0.57732%0.319SS*.THydrogen-bonded Turntrans47.2-120.9-171.900000113.1E56E56-G102 PolarHBondContact OE2-N 3.45Å; E56-G102 VanDerWaalsContact OE2-N 3.15Å
103Q65.8Low79.5Confident201 Ų20156.1 Ų56.194%0.93931%0.306SS*.THydrogen-bonded Turntrans-86.8-6.9176.1-65.2-62.3-35.200114.1V101V101-Q103 PolarHBondContact O-N 3.3Å; V101-Q103 VanDerWaalsContact O-N 3.16Å
104Q68.5Low79.5Confident94 Ų9457 Ų5744%0.43931%0.309SS..EExtended strand (participates in β ladder)trans-97.1125.5-174.7-163.7166.511.200111.2K100 V101 Y106K100-Q104 WeakPolarHBondContact CA-O 3.44Å; V101-Q104 PolarHBondContact N-O 2.83Å; V101-Q104 WeakPolarHBondContact O-CA 3.47Å; V101-Q104 PolarHBondContact O-N 3.35Å; V101-Q104 VanDerWaalsContact O-O 3.12Å; Q104-Y106 VanDerWaalsContact CD-CE1 3.46Å; Q104-Y106 VanDerWaalsContact CD-CZ 3.43Å; Q104-Y106 HydrophobicContact CG-CD1 4.44Å; Q104-Y106 HydrophobicContact CG-CE1 3.77Å; Q104-Y106 HydrophobicContact CG-CE2 4.32Å; Q104-Y106 PolarHBondContact OE1-OH 3.39Å
105S76.6Confident79.8Confident80 Ų8053.9 Ų53.956%0.55929%0.289SS*.EExtended strand (participates in β ladder)trans-94.4133.9168.453.80000110.4
106Y81.3Confident80.6Confident21 Ų2152.8 Ų52.88%0.08228%0.28CS..EExtended strand (participates in β ladder)trans-114.4131.8170.6-57.4-68.8000109.1L57 L60 A99 V101 Q104 L111 K114L57-Y106 HydrophobicContact CD1-CE2 4.38Å; L60-Y106 HydrophobicContact CD2-CD2 4.18Å; A99-Y106 PolarHBondContact N-O 3.25Å; A99-Y106 PolarHBondContact O-N 3.4Å; V101-Y106 HydrophobicContact CB-CE2 3.92Å; V101-Y106 HydrophobicContact CG2-CD2 4.11Å; V101-Y106 HydrophobicContact CG2-CE2 3.72Å; Q104-Y106 VanDerWaalsContact CD-CE1 3.46Å; Q104-Y106 VanDerWaalsContact CD-CZ 3.43Å; Q104-Y106 HydrophobicContact CG-CD1 4.44Å; Q104-Y106 HydrophobicContact CG-CE1 3.77Å; Q104-Y106 HydrophobicContact CG-CE2 4.32Å; Q104-Y106 PolarHBondContact OE1-OH 3.39Å; Y106-L111 HydrophobicContact CD2-CD1 4.38Å; Y106-K114 HydrophobicContact CD1-CD 4.01Å; Y106-K114 HydrophobicContact CE1-CD 3.65Å
107S87.9Confident81.8Confident45 Ų4546.3 Ų46.332%0.31525%0.251SS..EExtended strand (participates in β ladder)trans-64.3151.9159.767.90000109.3M110 L111S107-M110 WeakPolarHBondContact O-CB 3.35Å; S107-M110 PolarHBondContact O-N 3.47Å; S107-M110 WeakPolarHBondContact OG-CB 3.39Å; S107-M110 VanDerWaalsContact OG-CG 3.28Å; S107-M110 WeakPolarHBondContact OG-CG 3.38Å; S107-L111 PolarHBondContact O-N 2.91Å
108L89.2Confident83.2Confident6 Ų644.6 Ų44.63%0.03124%0.238CC..Hα-helixtrans-51.9-45.6179.9177.262.2000113.9V64 L93 L112V64-L108 HydrophobicContact CB-CD1 4.47Å; V64-L108 HydrophobicContact CG1-CD1 3.21Å; V64-L108 HydrophobicContact CG2-CD1 4.47Å; L93-L108 HydrophobicContact CB-CD2 3.57Å; L93-L108 HydrophobicContact CD1-CD2 3.66Å; L93-L108 HydrophobicContact CD1-CG 4.27Å; L93-L108 HydrophobicContact CG-CD2 4.23Å; L108-L112 HydrophobicContact CD1-CD1 4.04Å; L108-L112 HydrophobicContact CD1-CG 4.43Å; L108-L112 HydrophobicContact CG-CD1 4.28Å; L108-L112 WeakPolarHBondContact O-CG 3.42Å; L108-L112 PolarHBondContact O-N 3.39Å
109P92.1Very high84.4Confident14 Ų1441.5 Ų41.59%0.09122%0.224CC..Hα-helixtrans-60.9-45.4174.5-18.428.8000112.8L111 L112 Y113 V144P109-L111 VanDerWaalsContact C-N 3.33Å; P109-L111 PolarHBondContact O-N 3.4Å; P109-L112 PolarHBondContact O-N 2.75Å; P109-L112 VanDerWaalsContact O-N 3.14Å; P109-Y113 HydrophobicContact CB-CD2 4.35Å; P109-Y113 HydrophobicContact CB-CE1 4.37Å; P109-Y113 HydrophobicContact CB-CE2 3.58Å; P109-Y113 VanDerWaalsContact O-CD1 3.31Å; P109-Y113 WeakPolarHBondContact O-CD1 3.48Å; P109-Y113 WeakPolarHBondContact O-CD2 3.33Å; P109-Y113 PolarHBondContact O-N 3.09Å; P109-V144 HydrophobicContact CG-CB 4.34Å; P109-V144 HydrophobicContact CG-CG1 3.65Å; P109-V144 HydrophobicContact CG-CG2 3.69Å
110M91.4Very high85.3Confident20 Ų2045.6 Ų45.610%0.09925%0.245CC..Hα-helixtrans-59.4-42.6-178.8-79.7-63.9-56.500112.3S107 L112 Y113 K114 L121 L127S107-M110 WeakPolarHBondContact O-CB 3.35Å; S107-M110 PolarHBondContact O-N 3.47Å; S107-M110 WeakPolarHBondContact OG-CB 3.39Å; S107-M110 VanDerWaalsContact OG-CG 3.28Å; S107-M110 WeakPolarHBondContact OG-CG 3.38Å; M110-L112 VanDerWaalsContact C-N 3.35Å; M110-L112 PolarHBondContact O-N 2.87Å; M110-Y113 PolarHBondContact O-N 3.43Å; M110-K114 WeakPolarHBondContact O-CB 3.04Å; M110-K114 WeakPolarHBondContact O-CG 3.4Å; M110-K114 PolarHBondContact O-N 3.39Å; M110-L121 HydrophobicContact CE-CD2 3.5Å; M110-L121 HydrophobicContact CE-CG 3.79Å; M110-L121 HydrophobicContact SD-CD2 3.93Å; M110-L127 HydrophobicContact SD-CD1 4.31Å
111L92.3Very high86.3Confident0 Ų037.9 Ų37.90%021%0.212CC..Hα-helixtrans-58.8-47.2175.8178.363.6000111.3L57 L60 V64 A99 Y106 S107 P109 K114 V115L57-L111 HydrophobicContact CD1-CD1 3.48Å; L57-L111 VanDerWaalsContact CD1-CD1 3.48Å; L60-L111 HydrophobicContact CD2-CD1 4.18Å; L60-L111 HydrophobicContact CD2-CD2 4.09Å; L60-L111 HydrophobicContact CG-CD2 4.07Å; V64-L111 HydrophobicContact CB-CD2 4.22Å; V64-L111 HydrophobicContact CG1-CD2 4.47Å; V64-L111 HydrophobicContact CG2-CD2 3.76Å; A99-L111 HydrophobicContact CB-CD2 4.12Å; Y106-L111 HydrophobicContact CD2-CD1 4.38Å; S107-L111 PolarHBondContact O-N 2.91Å; P109-L111 VanDerWaalsContact C-N 3.33Å; P109-L111 PolarHBondContact O-N 3.4Å; L111-K114 PolarHBondContact O-N 3.24Å; L111-V115 HydrophobicContact CD1-CG2 4.14Å; L111-V115 WeakPolarHBondContact O-CB 3.49Å; L111-V115 VanDerWaalsContact O-CG2 3.23Å; L111-V115 WeakPolarHBondContact O-CG2 3.5Å; L111-V115 PolarHBondContact O-N 3.46Å
112L94.4Very high87.6Confident0 Ų046 Ų460%024%0.241CC..Hα-helixtrans-69.9-35.9-177.3-61.9169.9000111.8L65 L76 L93 L108 P109 M110 F116 C146L65-L112 HydrophobicContact CD2-CD2 4.27Å; L76-L112 HydrophobicContact CD2-CD2 4.34Å; L93-L112 HydrophobicContact CD1-CD1 4.42Å; L108-L112 HydrophobicContact CD1-CD1 4.04Å; L108-L112 HydrophobicContact CD1-CG 4.43Å; L108-L112 HydrophobicContact CG-CD1 4.28Å; L108-L112 WeakPolarHBondContact O-CG 3.42Å; L108-L112 PolarHBondContact O-N 3.39Å; P109-L112 PolarHBondContact O-N 2.75Å; P109-L112 VanDerWaalsContact O-N 3.14Å; M110-L112 VanDerWaalsContact C-N 3.35Å; M110-L112 PolarHBondContact O-N 2.87Å; L112-F116 HydrophobicContact CB-CD2 4.24Å; L112-F116 HydrophobicContact CB-CE2 4.48Å; L112-F116 HydrophobicContact CD2-CD2 4.27Å; L112-F116 HydrophobicContact CD2-CE2 3.66Å; L112-F116 WeakPolarHBondContact O-CB 3.39Å; L112-F116 VanDerWaalsContact O-CD2 3.22Å; L112-F116 WeakPolarHBondContact O-CD2 3.31Å; L112-F116 PolarHBondContact O-N 3.49Å; L112-C146 HydrophobicContact CD1-CB 3.61Å
113Y94.6Very high88.6Confident8 Ų849 Ų493%0.03124%0.24CC..Hα-helixtrans-66-42.9175.1-55.4-22.6000111.7P109 M110 R117 W118 L127 C145 P148 M151P109-Y113 HydrophobicContact CB-CD2 4.35Å; P109-Y113 HydrophobicContact CB-CE1 4.37Å; P109-Y113 HydrophobicContact CB-CE2 3.58Å; P109-Y113 VanDerWaalsContact O-CD1 3.31Å; P109-Y113 WeakPolarHBondContact O-CD1 3.48Å; P109-Y113 WeakPolarHBondContact O-CD2 3.33Å; P109-Y113 PolarHBondContact O-N 3.09Å; M110-Y113 PolarHBondContact O-N 3.43Å; Y113-R117 PolarHBondContact O-N 3.45Å; Y113-W118 PolarHBondContact O-N 2.97Å; Y113-L127 HydrophobicContact CD2-CD1 3.41Å; Y113-L127 VanDerWaalsContact CD2-CD1 3.41Å; Y113-L127 HydrophobicContact CE2-CD1 3.94Å; Y113-L127 HydrophobicContact CG-CD1 4.29Å; Y113-C145 PolarHBondContact OH-O 3.37Å; Y113-C145 VanDerWaalsContact OH-O 3.11Å; Y113-P148 HydrophobicContact CD1-CB 4.02Å; Y113-P148 HydrophobicContact CD1-CG 4.33Å; Y113-M151 HydrophobicContact CD1-CG 4.48Å; Y113-M151 HydrophobicContact CD2-CG 4.36Å; Y113-M151 HydrophobicContact CE1-CG 3.84Å; Y113-M151 HydrophobicContact CE2-CG 3.69Å; Y113-M151 HydrophobicContact CE2-SD 4.47Å; Y113-M151 WeakPolarHBondContact OH-CG 3.46Å
114K93.2Very high89.7Confident24 Ų2443.7 Ų43.710%0.10423%0.225CC..Hα-helixtrans-58.9-50.9174.9-83.8178.9154.2-75.10112.3Y106 M110 L111 W118 P119 L121Y106-K114 HydrophobicContact CD1-CD 4.01Å; Y106-K114 HydrophobicContact CE1-CD 3.65Å; M110-K114 WeakPolarHBondContact O-CB 3.04Å; M110-K114 WeakPolarHBondContact O-CG 3.4Å; M110-K114 PolarHBondContact O-N 3.39Å; L111-K114 PolarHBondContact O-N 3.24Å; K114-W118 WeakPolarHBondContact CA-O 3.39Å; K114-W118 CarbonylContact O-C 3.54Å; K114-P119 PolarHBondContact NZ-O 3.34Å; K114-P119 VanDerWaalsContact NZ-O 3.16Å; K114-P119 WeakPolarHBondContact O-CA 3.22Å; K114-L121 WeakPolarHBondContact CE-O 3.44Å; K114-L121 HydrophobicContact CG-CB 4.06Å; K114-L121 HydrophobicContact CG-CD2 4.31Å; K114-L121 PolarHBondContact NZ-O 2.81Å
115V94.7Very high90.9Very high7 Ų743.5 Ų43.54%0.04223%0.234CC..Hα-helixtrans-69.2-42.3-174.8172.30000111.8W14 R17 A18 L57 T61 L111W14-V115 HydrophobicContact CZ3-CG1 4.26Å; R17-V115 CarbonylContact C-O 3.53Å; R17-V115 WeakPolarHBondContact CA-O 3.46Å; R17-V115 HydrophobicContact CB-CG1 3.92Å; R17-V115 WeakPolarHBondContact CB-O 3.47Å; A18-V115 PolarHBondContact N-O 3.11Å; L57-V115 HydrophobicContact CD1-CG2 4.4Å; L57-V115 HydrophobicContact CD2-CG2 4.49Å; L57-V115 HydrophobicContact CG-CG2 4.39Å; T61-V115 HydrophobicContact CG2-CG1 4.14Å; T61-V115 HydrophobicContact CG2-CG2 4.22Å; T61-V115 WeakPolarHBondContact OG1-CG2 3.23Å; L111-V115 HydrophobicContact CD1-CG2 4.14Å; L111-V115 WeakPolarHBondContact O-CB 3.49Å; L111-V115 VanDerWaalsContact O-CG2 3.23Å; L111-V115 WeakPolarHBondContact O-CG2 3.5Å; L111-V115 PolarHBondContact O-N 3.46Å
116F96.1Very high91.7Very high12 Ų1240.9 Ų40.95%0.05321%0.213CC..Hα-helixtrans-99-13.4-169.7-63.3-59.2000114.9L13 L76 V80 L112 P148L13-F116 HydrophobicContact CB-CE1 4.3Å; L13-F116 HydrophobicContact CB-CZ 4.18Å; L13-F116 HydrophobicContact CD2-CE1 4.31Å; L13-F116 HydrophobicContact CD2-CZ 4.13Å; L13-F116 WeakPolarHBondContact O-CE1 3.49Å; L76-F116 HydrophobicContact CD1-CD2 4.5Å; L76-F116 HydrophobicContact CD1-CE2 4.44Å; L76-F116 HydrophobicContact CD2-CE2 4.11Å; V80-F116 HydrophobicContact CB-CD1 4.45Å; V80-F116 HydrophobicContact CG1-CB 4.32Å; V80-F116 HydrophobicContact CG1-CD1 3.71Å; V80-F116 HydrophobicContact CG1-CE1 4.4Å; V80-F116 HydrophobicContact CG1-CG 4.22Å; V80-F116 HydrophobicContact CG2-CB 3.93Å; V80-F116 HydrophobicContact CG2-CD1 3.86Å; V80-F116 HydrophobicContact CG2-CD2 4.07Å; V80-F116 HydrophobicContact CG2-CE1 4.43Å; V80-F116 HydrophobicContact CG2-CG 3.67Å; L112-F116 HydrophobicContact CB-CD2 4.24Å; L112-F116 HydrophobicContact CB-CE2 4.48Å; L112-F116 HydrophobicContact CD2-CD2 4.27Å; L112-F116 HydrophobicContact CD2-CE2 3.66Å; L112-F116 WeakPolarHBondContact O-CB 3.39Å; L112-F116 VanDerWaalsContact O-CD2 3.22Å; L112-F116 WeakPolarHBondContact O-CD2 3.31Å; L112-F116 PolarHBondContact O-N 3.49Å; F116-P148 HydrophobicContact CB-CB 4.28Å; F116-P148 HydrophobicContact CB-CG 3.95Å; F116-P148 HydrophobicContact CD2-CG 4.04Å; F116-P148 HydrophobicContact CG-CG 4.41Å
117R95.3Very high92.4Very high40 Ų4040.8 Ų40.815%0.15121%0.213CC..THydrogen-bonded Turntrans-136.2-49.9-177.6-63.3-165.871.2-176.40.7114.8Y113 P148 M151 Y285Y113-R117 PolarHBondContact O-N 3.45Å; R117-P148 VanDerWaalsContact CD-C 3.5Å; R117-P148 WeakPolarHBondContact CD-O 3.49Å; R117-P148 HydrophobicContact CG-CB 3.73Å; R117-P148 PolarHBondContact NH1-O 3.21Å; R117-M151 PolarHBondContact NH1-O 3.19Å; R117-Y285 PolarHBondContact NH1-OH 3.06Å; R117-Y285 PolarHBondContact NH2-OH 3.16Å
118W94.8Very high92.7Very high16 Ų1639.7 Ų39.76%0.06120%0.203CC..  trans-136.283.3-166.8-55.5-59.9000111.9Y113 K114 D120 L121 L127 M151 R153 G315Y113-W118 PolarHBondContact O-N 2.97Å; K114-W118 WeakPolarHBondContact CA-O 3.39Å; K114-W118 CarbonylContact O-C 3.54Å; W118-D120 PolarHBondContact O-N 3.42Å; W118-D120 VanDerWaalsContact O-N 3.16Å; W118-L121 HydrophobicContact CB-CB 3.92Å; W118-L121 WeakPolarHBondContact O-CB 3.42Å; W118-L121 PolarHBondContact O-N 2.85Å; W118-L127 HydrophobicContact CE3-CD2 3.69Å; W118-L127 HydrophobicContact CH2-CD2 4.05Å; W118-L127 HydrophobicContact CZ3-CD2 3.37Å; W118-M151 HydrophobicContact CH2-CB 4.2Å; W118-M151 HydrophobicContact CZ3-CB 4.17Å; W118-R153 HydrophobicContact CD2-CG 3.72Å; W118-R153 HydrophobicContact CE3-CG 4.09Å; W118-R153 HydrophobicContact CG-CG 4.13Å; W118-R153 HydrophobicContact CH2-CG 4.29Å; W118-R153 HydrophobicContact CZ2-CB 4.47Å; W118-R153 HydrophobicContact CZ2-CG 3.94Å; W118-R153 HydrophobicContact CZ3-CG 4.37Å; W118-G315 WeakPolarHBondContact CZ2-O 3.42Å
119P92.9Very high93Very high45 Ų4542.3 Ų42.329%0.29221%0.212SC..THydrogen-bonded Turntrans-55-35-179.4-26.936.2000113.2A18 V20 K114 L121A18-P119 HydrophobicContact CB-CG 3.8Å; V20-P119 HydrophobicContact CG2-CB 4.4Å; V20-P119 HydrophobicContact CG2-CG 4.48Å; K114-P119 PolarHBondContact NZ-O 3.34Å; K114-P119 VanDerWaalsContact NZ-O 3.16Å; K114-P119 WeakPolarHBondContact O-CA 3.22Å; P119-L121 VanDerWaalsContact C-N 3.34Å; P119-L121 PolarHBondContact O-N 2.85Å
120D91.3Very high93.2Very high92 Ų9241.9 Ų41.949%0.49221%0.209SC..THydrogen-bonded Turntrans-78.9-7.4-178.668.7-46.7000114.8W118 R122 R153W118-D120 PolarHBondContact O-N 3.42Å; W118-D120 VanDerWaalsContact O-N 3.16Å; D120-R122 WeakPolarHBondContact O-CG 3.24Å; D120-R122 PolarHBondContact O-N 2.9Å; D120-R153 IonicContact OD1-NH1 3.28Å; D120-R153 PolarHBondContact OD1-NH1 3.12Å; D120-R153 IonicContact OD2-CZ 2.69Å; D120-R153 IonicContact OD2-NH1 2.81Å; D120-R153 PolarHBondContact OD2-NH1 3.49Å; D120-R153 IonicContact OD2-NH2 3.63Å
121L91.4Very high93.2Very high0 Ų042.9 Ų42.90%022%0.218CC..  trans-54.9132.7-180178.668000111.1M110 K114 W118 P119 E126 L127M110-L121 HydrophobicContact CE-CD2 3.5Å; M110-L121 HydrophobicContact CE-CG 3.79Å; M110-L121 HydrophobicContact SD-CD2 3.93Å; K114-L121 WeakPolarHBondContact CE-O 3.44Å; K114-L121 HydrophobicContact CG-CB 4.06Å; K114-L121 HydrophobicContact CG-CD2 4.31Å; K114-L121 PolarHBondContact NZ-O 2.81Å; W118-L121 HydrophobicContact CB-CB 3.92Å; W118-L121 WeakPolarHBondContact O-CB 3.42Å; W118-L121 PolarHBondContact O-N 2.85Å; P119-L121 VanDerWaalsContact C-N 3.34Å; P119-L121 PolarHBondContact O-N 2.85Å; L121-E126 HydrophobicContact CD1-CB 3.92Å; L121-L127 HydrophobicContact CD1-CD1 4.3Å; L121-L127 HydrophobicContact CD1-CD2 3.83Å; L121-L127 HydrophobicContact CD1-CG 3.9Å; L121-L127 HydrophobicContact CD2-CD1 3.77Å; L121-L127 HydrophobicContact CD2-CD2 4.37Å; L121-L127 HydrophobicContact CD2-CG 4.29Å
122R88.8Confident93.2Very high184 Ų18445.4 Ų45.469%0.69424%0.235SC*.  trans-110.3-46-176.6-54-177.6-179.3-177-0.5111.7D120 E126D120-R122 WeakPolarHBondContact O-CG 3.24Å; D120-R122 PolarHBondContact O-N 2.9Å; R122-E126 WeakPolarHBondContact CA-OE1 3.35Å; R122-E126 VanDerWaalsContact CB-OE1 3.31Å; R122-E126 WeakPolarHBondContact CB-OE1 3.41Å; R122-E126 PolarHBondContact N-OE1 2.69Å
123H88.1Confident93.2Very high120 Ų12045.6 Ų45.656%0.55624%0.237SC*.  trans-132.5152.9-171.8-56.8-64.7000112.1S125 E126H123-S125 WeakPolarHBondContact CB-OG 3.43Å; H123-S125 PolarHBondContact O-N 3.44Å; H123-E126 PolarHBondContact N-OE1 2.83Å; H123-E126 WeakPolarHBondContact O-CB 3.43Å; H123-E126 PolarHBondContact O-N 3.15Å
124S89.6Confident93.1Very high90 Ų9051 Ų5163%0.62926%0.262SS*.G310 helixtrans-66.8-22.3175.552.20000113E126 L127S124-E126 PolarHBondContact O-N 2.79Å; S124-L127 WeakPolarHBondContact O-CB 3.21Å; S124-L127 PolarHBondContact O-N 2.93Å; S124-L127 VanDerWaalsContact O-N 3.08Å
125S92Very high93Very high90 Ų9050.8 Ų50.863%0.62926%0.264SS*.G310 helixtrans-64.9-2017654.10000113.4H123 L127H123-S125 WeakPolarHBondContact CB-OG 3.43Å; H123-S125 PolarHBondContact O-N 3.44Å; S125-L127 PolarHBondContact O-N 2.99Å
126E94.2Very high92.9Very high24 Ų2454 Ų5411%0.11228%0.276CS..G310 helixtrans-77-5174.6-59.9176.4-10900112.4L121 R122 H123 S124 R153 L154L121-E126 HydrophobicContact CD1-CB 3.92Å; R122-E126 WeakPolarHBondContact CA-OE1 3.35Å; R122-E126 VanDerWaalsContact CB-OE1 3.31Å; R122-E126 WeakPolarHBondContact CB-OE1 3.41Å; R122-E126 PolarHBondContact N-OE1 2.69Å; H123-E126 PolarHBondContact N-OE1 2.83Å; H123-E126 WeakPolarHBondContact O-CB 3.43Å; H123-E126 PolarHBondContact O-N 3.15Å; S124-E126 PolarHBondContact O-N 2.79Å; E126-R153 CarbonylContact O-C 3.6Å; E126-R153 VanDerWaalsContact O-CA 3.29Å; E126-R153 WeakPolarHBondContact O-CA 3.49Å; E126-R153 IonicContact OE2-CZ 2.64Å; E126-R153 IonicContact OE2-NE 3.44Å; E126-R153 IonicContact OE2-NH2 2.7Å; E126-R153 PolarHBondContact OE2-NH2 3.48Å; E126-L154 PolarHBondContact O-N 3.14Å
127L95.5Very high92.4Very high19 Ų1957.1 Ų57.110%0.09931%0.312CS..EExtended strand (participates in β ladder)trans-114.5141.3-172.9-60.6-178.8000112.2M110 Y113 W118 L121 S124 S125 M151 S152 R153M110-L127 HydrophobicContact SD-CD1 4.31Å; Y113-L127 HydrophobicContact CD2-CD1 3.41Å; Y113-L127 VanDerWaalsContact CD2-CD1 3.41Å; Y113-L127 HydrophobicContact CE2-CD1 3.94Å; Y113-L127 HydrophobicContact CG-CD1 4.29Å; W118-L127 HydrophobicContact CE3-CD2 3.69Å; W118-L127 HydrophobicContact CH2-CD2 4.05Å; W118-L127 HydrophobicContact CZ3-CD2 3.37Å; L121-L127 HydrophobicContact CD1-CD1 4.3Å; L121-L127 HydrophobicContact CD1-CD2 3.83Å; L121-L127 HydrophobicContact CD1-CG 3.9Å; L121-L127 HydrophobicContact CD2-CD1 3.77Å; L121-L127 HydrophobicContact CD2-CD2 4.37Å; L121-L127 HydrophobicContact CD2-CG 4.29Å; S124-L127 WeakPolarHBondContact O-CB 3.21Å; S124-L127 PolarHBondContact O-N 2.93Å; S124-L127 VanDerWaalsContact O-N 3.08Å; S125-L127 PolarHBondContact O-N 2.99Å; L127-M151 HydrophobicContact CB-CE 3.6Å; L127-M151 HydrophobicContact CD1-CE 4.31Å; L127-S152 WeakPolarHBondContact CA-O 3.48Å; L127-R153 HydrophobicContact CD2-CG 3.75Å
128K94.9Very high92Very high22 Ų2262.2 Ų62.210%0.09634%0.335CS..EExtended strand (participates in β ladder)trans-116.3136.7168.3175.9177.8-172.1-61.40110.1M151 S152 L154 E278 W283K128-M151 VanDerWaalsContact C-CE 3.49Å; K128-M151 CarbonylContact O-C 3.59Å; K128-M151 WeakPolarHBondContact O-CA 3.28Å; K128-S152 PolarHBondContact N-O 3.43Å; K128-S152 PolarHBondContact O-N 2.57Å; K128-S152 PolarHBondContact O-OG 3.35Å; K128-L154 HydrophobicContact CB-CD1 4.46Å; K128-L154 HydrophobicContact CB-CD2 3.57Å; K128-L154 HydrophobicContact CB-CG 3.91Å; K128-L154 HydrophobicContact CD-CD2 4.03Å; K128-L154 HydrophobicContact CG-CD2 4.37Å; K128-E278 WeakPolarHBondContact CE-OE2 3.31Å; K128-E278 IonicContact NZ-OE1 3.37Å; K128-E278 PolarHBondContact NZ-OE1 2.73Å; K128-E278 IonicContact NZ-OE2 3.15Å; K128-E278 PolarHBondContact NZ-OE2 3Å; K128-W283 HydrophobicContact CD-CD2 3.99Å; K128-W283 HydrophobicContact CD-CE3 3.64Å; K128-W283 HydrophobicContact CD-CH2 3.79Å; K128-W283 HydrophobicContact CD-CZ2 4.12Å; K128-W283 HydrophobicContact CD-CZ3 3.54Å
129R95.9Very high91.4Very high61 Ų6169.6 Ų69.623%0.2337%0.374CS..EExtended strand (participates in β ladder)trans-76.1134.8170.3-168.4171.3-64.5-116.92.5109.6C133 S135 Y136 M151R129-C133 HydrophobicContact CG-CB 3.81Å; R129-C133 PolarHBondContact NH1-SG 2.89Å; R129-S135 VanDerWaalsContact NH1-CB 3.33Å; R129-Y136 HydrophobicContact CB-CD2 4.26Å; R129-Y136 HydrophobicContact CG-CD2 4.34Å; R129-Y136 VanDerWaalsContact O-CD2 3.31Å; R129-Y136 WeakPolarHBondContact O-CD2 3.37Å; R129-Y136 WeakPolarHBondContact O-CE2 3.44Å; R129-M151 HydrophobicContact CB-CE 4.2Å; R129-M151 HydrophobicContact CB-SD 3.84Å; R129-M151 HydrophobicContact CG-SD 3.99Å
130L95.6Very high91Very high5 Ų571.2 Ų71.23%0.02638%0.38CS..  trans-81.4148.9178-63.8173.7000110.6C132 C133 H150 Y285L130-C132 PolarHBondContact O-N 3.41Å; L130-C133 WeakPolarHBondContact O-CB 3.41Å; L130-C133 PolarHBondContact O-N 2.71Å; L130-H150 PolarHBondContact N-O 2.88Å; L130-Y285 HydrophobicContact CD1-CD1 3.81Å; L130-Y285 HydrophobicContact CD1-CE1 3.46Å; L130-Y285 VanDerWaalsContact CD1-CE1 3.46Å; L130-Y285 HydrophobicContact CD1-CE2 4.35Å; L130-Y285 HydrophobicContact CD1-CG 4.4Å; L130-Y285 HydrophobicContact CD2-CD1 3.93Å; L130-Y285 HydrophobicContact CD2-CD2 4.17Å; L130-Y285 HydrophobicContact CD2-CE1 4.38Å; L130-Y285 HydrophobicContact CD2-CG 3.82Å
131S92.5Very high90.5Very high41 Ų4171.5 Ų71.529%0.28739%0.387SS..THydrogen-bonded Turntrans-62.8-22.2-18056.90000113.6C133 T276S131-C133 PolarHBondContact O-N 2.9Å; S131-T276 WeakPolarHBondContact OG-CG2 3.29Å
132C91.1Very high90.4Very high53 Ų5376.3 Ų76.336%0.35841%0.413SS..THydrogen-bonded Turntrans-70.1-10.4173.767.50000113.9L130L130-C132 PolarHBondContact O-N 3.41Å
133C94.8Very high90.5Very high4 Ų470.6 Ų70.63%0.02740%0.396CS..SBendtrans-81.4127.5175.4-1700000110.2R129 L130 S131 S135 Y136 H150R129-C133 HydrophobicContact CG-CB 3.81Å; R129-C133 PolarHBondContact NH1-SG 2.89Å; L130-C133 WeakPolarHBondContact O-CB 3.41Å; L130-C133 PolarHBondContact O-N 2.71Å; S131-C133 PolarHBondContact O-N 2.9Å; C133-S135 PolarHBondContact O-N 2.87Å; C133-S135 VanDerWaalsContact O-N 3.09Å; C133-Y136 WeakPolarHBondContact O-CB 3.15Å; C133-Y136 PolarHBondContact O-N 2.87Å; C133-H150 HydrophobicContact CB-CB 3.93Å
134E93Very high90.6Very high122 Ų12266.1 Ų66.157%0.5738%0.376SS*.THydrogen-bonded Turntrans-61.4-22.3177.9-64.8171.5-167.100113.6C90 K138C90-E134 PolarHBondContact SG-N 2.84Å; E134-K138 WeakPolarHBondContact O-CD 3.27Å; E134-K138 WeakPolarHBondContact O-CE 3.37Å; E134-K138 PolarHBondContact O-NZ 3.47Å
135S90.7Very high90.9Very high20 Ų2061.9 Ų61.914%0.1435%0.347CS..THydrogen-bonded Turntrans-892.6174.4-41.30000113.5R129 C133 G137 K138R129-S135 VanDerWaalsContact NH1-CB 3.33Å; C133-S135 PolarHBondContact O-N 2.87Å; C133-S135 VanDerWaalsContact O-N 3.09Å; S135-G137 PolarHBondContact O-N 2.91Å; S135-K138 PolarHBondContact O-N 3.27Å; S135-K138 VanDerWaalsContact O-N 3.14Å
136Y91.8Very high91Very high73 Ų7357.6 Ų57.629%0.28632%0.317SS..THydrogen-bonded Turntrans-60.9130.6174.8178.8-90.4000110.1R129 C133 K138 E278R129-Y136 HydrophobicContact CB-CD2 4.26Å; R129-Y136 HydrophobicContact CG-CD2 4.34Å; R129-Y136 VanDerWaalsContact O-CD2 3.31Å; R129-Y136 WeakPolarHBondContact O-CD2 3.37Å; R129-Y136 WeakPolarHBondContact O-CE2 3.44Å; C133-Y136 WeakPolarHBondContact O-CB 3.15Å; C133-Y136 PolarHBondContact O-N 2.87Å; Y136-K138 PolarHBondContact O-N 2.82Å; Y136-K138 VanDerWaalsContact O-N 3.14Å; Y136-E278 PolarHBondContact OH-OE2 3.17Å
137G86.5Confident91.1Very high79 Ų7956.5 Ų56.581%0.81431%0.312SS*.THydrogen-bonded Turntrans67.24.5-175.700000115.5S135S135-G137 PolarHBondContact O-N 2.91Å
138K87.8Confident91.2Very high146 Ų14655.6 Ų55.664%0.63531%0.307SS*.  trans-115.8135.3-178.8-60.7179.2-167.6158.80110.8E134 S135 Y136E134-K138 WeakPolarHBondContact O-CD 3.27Å; E134-K138 WeakPolarHBondContact O-CE 3.37Å; E134-K138 PolarHBondContact O-NZ 3.47Å; S135-K138 PolarHBondContact O-N 3.27Å; S135-K138 VanDerWaalsContact O-N 3.14Å; Y136-K138 PolarHBondContact O-N 2.82Å; Y136-K138 VanDerWaalsContact O-N 3.14Å
139I80.7Confident91.2Very high171 Ų17155.6 Ų55.688%0.87731%0.307SS*.  trans-100.5118.1171.5-57.2175.3000107.4
140N84.4Confident91.2Very high80 Ų8053.1 Ų53.143%0.42830%0.298SS..  trans-119.4115.8169.7-175.6-36.8000108.1D142 L143N140-D142 VanDerWaalsContact C-N 3.28Å; N140-D142 PolarHBondContact O-N 2.92Å; N140-D142 PolarHBondContact OD1-N 3.43Å; N140-L143 WeakPolarHBondContact CB-O 3.4Å; N140-L143 PolarHBondContact OD1-N 3.3Å
141P81.9Confident91.3Very high97 Ų9753.5 Ų53.563%0.6330%0.3SS*.SBendtrans-70.2-24.6-175.927.7-33.9000113
142D87.9Confident91.5Very high101 Ų10151.6 Ų51.654%0.5429%0.287SS..SBendtrans-96.1-38-172.5-64.1-40.3000112.9P94 S95 N140P94-D142 VanDerWaalsContact CA-O 3.31Å; P94-D142 WeakPolarHBondContact CA-O 3.3Å; S95-D142 PolarHBondContact N-O 3.14Å; S95-D142 PolarHBondContact OG-O 3.48Å; N140-D142 VanDerWaalsContact C-N 3.28Å; N140-D142 PolarHBondContact O-N 2.92Å; N140-D142 PolarHBondContact OD1-N 3.43Å
143L90.9Very high91.8Very high65 Ų6550.5 Ų50.534%0.3428%0.275SS..EExtended strand (participates in β ladder)trans-122.5133.8-175.6-64.5176.7000111.9L92 L93 N140L92-L143 HydrophobicContact CB-CB 4.41Å; L92-L143 HydrophobicContact CB-CD1 4.45Å; L93-L143 WeakPolarHBondContact O-CA 3.43Å; N140-L143 WeakPolarHBondContact CB-O 3.4Å; N140-L143 PolarHBondContact OD1-N 3.3Å
144V91.7Very high91.8Very high25 Ų2552.9 Ų52.915%0.15229%0.287CS..EExtended strand (participates in β ladder)trans-122.9135.5175.362.30000110.2L92 L93 S95 P109 C146L92-V144 WeakPolarHBondContact CA-O 3.28Å; L93-V144 PolarHBondContact N-O 3.49Å; L93-V144 PolarHBondContact O-N 2.98Å; S95-V144 PolarHBondContact OG-N 3.07Å; P109-V144 HydrophobicContact CG-CB 4.34Å; P109-V144 HydrophobicContact CG-CG1 3.65Å; P109-V144 HydrophobicContact CG-CG2 3.69Å; V144-C146 PolarHBondContact O-N 3.04Å
145C94.9Very high91.8Very high1 Ų148.2 Ų48.21%0.00727%0.268CS..EExtended strand (participates in β ladder)trans-67.4126.9168.5-173.20000110.1C90 L91 L92 Y113 N147 H150C90-C145 HydrophobicContact CB-CB 4.31Å; L91-C145 PolarHBondContact N-SG 3.14Å; L91-C145 VanDerWaalsContact N-SG 3.45Å; L91-C145 CarbonylContact O-C 3.54Å; L91-C145 WeakPolarHBondContact O-CA 3.32Å; L92-C145 HydrophobicContact CD2-CB 4.02Å; Y113-C145 PolarHBondContact OH-O 3.37Å; Y113-C145 VanDerWaalsContact OH-O 3.11Å; C145-N147 PolarHBondContact SG-N 3.01Å; C145-H150 PolarHBondContact SG-ND1 2.76Å; C145-H150 VanDerWaalsContact SG-ND1 3.36Å
146C94.8Very high91.3Very high0 Ų054.6 Ų54.60%030%0.296CS..  trans-112.311.5179.2-69.10000113.1L91 L93 L112 V144 P148L91-C146 HydrophobicContact CB-CB 4.49Å; L91-C146 HydrophobicContact CD2-CB 3.98Å; L91-C146 HydrophobicContact CG-CB 4.19Å; L91-C146 PolarHBondContact O-N 3.14Å; L93-C146 HydrophobicContact CD1-CB 3.84Å; L93-C146 HydrophobicContact CG-CB 4.35Å; L112-C146 HydrophobicContact CD1-CB 3.61Å; V144-C146 PolarHBondContact O-N 3.04Å; C146-P148 WeakPolarHBondContact O-CD 3.35Å
147N96.6Very high90.4Very high1 Ų155.1 Ų55.11%0.00530%0.303CS..  trans-70.5115.5177.3-177.2-23.3000109.1S88 P89 L91 C145 H149 H150S88-N147 PolarHBondContact OG-ND2 3.11Å; P89-N147 PolarHBondContact O-ND2 3.45Å; L91-N147 HydrophobicContact CB-CB 4.14Å; C145-N147 PolarHBondContact SG-N 3.01Å; N147-H149 PolarHBondContact O-N 2.89Å; N147-H149 VanDerWaalsContact O-N 3.15Å; N147-H149 PolarHBondContact OD1-N 2.79Å; N147-H150 HydrophobicContact CB-CB 4.27Å; N147-H150 PolarHBondContact ND2-NE2 2.83Å; N147-H150 WeakPolarHBondContact O-CB 3.31Å; N147-H150 PolarHBondContact O-N 2.89Å
148P96.1Very high89.1Confident0 Ų059.9 Ų59.90%030%0.304CS..G310 helixtrans-61.6-26.3-176.6-22.634.6000114L76 V80 Y113 F116 R117 C146 H150L76-P148 HydrophobicContact CD1-CG 4.23Å; V80-P148 HydrophobicContact CG2-CG 4.46Å; Y113-P148 HydrophobicContact CD1-CB 4.02Å; Y113-P148 HydrophobicContact CD1-CG 4.33Å; F116-P148 HydrophobicContact CB-CB 4.28Å; F116-P148 HydrophobicContact CB-CG 3.95Å; F116-P148 HydrophobicContact CD2-CG 4.04Å; F116-P148 HydrophobicContact CG-CG 4.41Å; R117-P148 VanDerWaalsContact CD-C 3.5Å; R117-P148 WeakPolarHBondContact CD-O 3.49Å; R117-P148 HydrophobicContact CG-CB 3.73Å; R117-P148 PolarHBondContact NH1-O 3.21Å; C146-P148 WeakPolarHBondContact O-CD 3.35Å; P148-H150 VanDerWaalsContact C-N 3.29Å; P148-H150 PolarHBondContact O-N 2.64Å
149H95.5Very high87Confident22 Ų2258 Ų5810%0.10231%0.31CS..G310 helixtrans-85.12.8179.6-69.4-73.9000114.1A79 G84 N147A79-H149 PolarHBondContact O-CD2 2.97Å; A79-H149 PolarHBondContact O-NE2 2.86Å; G84-H149 PolarHBondContact N-CE1 3.09Å; G84-H149 PolarHBondContact N-ND1 2.86Å; N147-H149 PolarHBondContact O-N 2.89Å; N147-H149 VanDerWaalsContact O-N 3.15Å; N147-H149 PolarHBondContact OD1-N 2.79Å
150H96.6Very high85.5Confident9 Ų954.6 Ų54.64%0.04230%0.298CS..G310 helixtrans-94.93.4170.3-71.9-175.5000113.3S88 P89 C90 L130 C133 C145 N147 P148S88-H150 PolarHBondContact O-CE1 3.22Å; S88-H150 PolarHBondContact O-NE2 3.49Å; P89-H150 PolarHBondContact O-CE1 3.36Å; C90-H150 PolarHBondContact N-CE1 3.31Å; C90-H150 PolarHBondContact SG-CE1 2.82Å; C90-H150 PolarHBondContact SG-ND1 3.36Å; L130-H150 PolarHBondContact N-O 2.88Å; C133-H150 HydrophobicContact CB-CB 3.93Å; C145-H150 PolarHBondContact SG-ND1 2.76Å; C145-H150 VanDerWaalsContact SG-ND1 3.36Å; N147-H150 HydrophobicContact CB-CB 4.27Å; N147-H150 PolarHBondContact ND2-NE2 2.83Å; N147-H150 WeakPolarHBondContact O-CB 3.31Å; N147-H150 PolarHBondContact O-N 2.89Å; P148-H150 VanDerWaalsContact C-N 3.29Å; P148-H150 PolarHBondContact O-N 2.64Å
151M96.4Very high83.6Confident14 Ų1455 Ų557%0.06931%0.306CS..EExtended strand (participates in β ladder)trans-117.6157.9173.9-57.9-59.5-64.700110Y113 R117 W118 L127 K128 R129Y113-M151 HydrophobicContact CD1-CG 4.48Å; Y113-M151 HydrophobicContact CD2-CG 4.36Å; Y113-M151 HydrophobicContact CE1-CG 3.84Å; Y113-M151 HydrophobicContact CE2-CG 3.69Å; Y113-M151 HydrophobicContact CE2-SD 4.47Å; Y113-M151 WeakPolarHBondContact OH-CG 3.46Å; R117-M151 PolarHBondContact NH1-O 3.19Å; W118-M151 HydrophobicContact CH2-CB 4.2Å; W118-M151 HydrophobicContact CZ3-CB 4.17Å; L127-M151 HydrophobicContact CB-CE 3.6Å; L127-M151 HydrophobicContact CD1-CE 4.31Å; K128-M151 VanDerWaalsContact C-CE 3.49Å; K128-M151 CarbonylContact O-C 3.59Å; K128-M151 WeakPolarHBondContact O-CA 3.28Å; R129-M151 HydrophobicContact CB-CE 4.2Å; R129-M151 HydrophobicContact CB-SD 3.84Å; R129-M151 HydrophobicContact CG-SD 3.99Å
152S97.2Very high81.5Confident0 Ų053.1 Ų53.10%029%0.293CS..EExtended strand (participates in β ladder)trans-130.9152.6165.1570000109L127 K128 G315 S317L127-S152 WeakPolarHBondContact CA-O 3.48Å; K128-S152 PolarHBondContact N-O 3.43Å; K128-S152 PolarHBondContact O-N 2.57Å; K128-S152 PolarHBondContact O-OG 3.35Å; S152-G315 WeakPolarHBondContact CA-O 3.5Å; S152-G315 WeakPolarHBondContact CB-O 3.48Å; S152-S317 WeakPolarHBondContact CB-OG 2.87Å; S152-S317 VanDerWaalsContact OG-CB 3.32Å; S152-S317 WeakPolarHBondContact OG-CB 3.49Å; S152-S317 PolarHBondContact OG-OG 2.67Å
153R97Very high79.6Confident30 Ų3054.2 Ų54.211%0.11331%0.306CS..EExtended strand (participates in β ladder)trans-71.4150163.5-76.3-175.480.1177.95.2110.2W118 D120 E126 L127 G315 F316 S317W118-R153 HydrophobicContact CD2-CG 3.72Å; W118-R153 HydrophobicContact CE3-CG 4.09Å; W118-R153 HydrophobicContact CG-CG 4.13Å; W118-R153 HydrophobicContact CH2-CG 4.29Å; W118-R153 HydrophobicContact CZ2-CB 4.47Å; W118-R153 HydrophobicContact CZ2-CG 3.94Å; W118-R153 HydrophobicContact CZ3-CG 4.37Å; D120-R153 IonicContact OD1-NH1 3.28Å; D120-R153 PolarHBondContact OD1-NH1 3.12Å; D120-R153 IonicContact OD2-CZ 2.69Å; D120-R153 IonicContact OD2-NH1 2.81Å; D120-R153 PolarHBondContact OD2-NH1 3.49Å; D120-R153 IonicContact OD2-NH2 3.63Å; E126-R153 CarbonylContact O-C 3.6Å; E126-R153 VanDerWaalsContact O-CA 3.29Å; E126-R153 WeakPolarHBondContact O-CA 3.49Å; E126-R153 IonicContact OE2-CZ 2.64Å; E126-R153 IonicContact OE2-NE 3.44Å; E126-R153 IonicContact OE2-NH2 2.7Å; E126-R153 PolarHBondContact OE2-NH2 3.48Å; L127-R153 HydrophobicContact CD2-CG 3.75Å; R153-G315 PolarHBondContact N-O 3.13Å; R153-F316 HydrophobicContact CB-CD1 3.51Å; R153-F316 HydrophobicContact CB-CD2 4.03Å; R153-F316 HydrophobicContact CB-CE1 3.5Å; R153-F316 HydrophobicContact CB-CE2 4.01Å; R153-F316 HydrophobicContact CB-CG 3.79Å; R153-F316 HydrophobicContact CB-CZ 3.76Å; R153-F316 HydrophobicContact CG-CE1 4.37Å; R153-F316 HydrophobicContact CG-CE2 4.5Å; R153-F316 HydrophobicContact CG-CZ 4.24Å; R153-F316 CarbonylContact O-C 3.56Å; R153-F316 WeakPolarHBondContact O-CA 3.42Å; R153-S317 PolarHBondContact O-N 2.71Å
154L95.6Very high77.6Confident54 Ų5460.1 Ų60.128%0.28333%0.325SS..EExtended strand (participates in β ladder)trans-83.3131.4171.5-73.7171.1000108.8E126 K128 E156 W283 F316E126-L154 PolarHBondContact O-N 3.14Å; K128-L154 HydrophobicContact CB-CD1 4.46Å; K128-L154 HydrophobicContact CB-CD2 3.57Å; K128-L154 HydrophobicContact CB-CG 3.91Å; K128-L154 HydrophobicContact CD-CD2 4.03Å; K128-L154 HydrophobicContact CG-CD2 4.37Å; L154-E156 PolarHBondContact O-N 3.39Å; L154-W283 HydrophobicContact CD2-CH2 3.81Å; L154-W283 HydrophobicContact CD2-CZ3 3.59Å; L154-F316 WeakPolarHBondContact O-CD1 3.3Å
155C92.7Very high75.4Confident25 Ų2562.1 Ų62.117%0.16934%0.34CS..  trans-70.7113.5168.7-165.30000107.7L157 S317 I318C155-L157 PolarHBondContact O-N 2.57Å; C155-S317 WeakPolarHBondContact CB-O 3.38Å; C155-S317 PolarHBondContact N-O 3.46Å; C155-I318 HydrophobicContact CB-CB 3.93Å; C155-I318 HydrophobicContact CB-CD1 4.4Å; C155-I318 HydrophobicContact CB-CG1 4.24Å
156E80.2Confident72.9Confident154 Ų15472.4 Ų72.472%0.7238%0.378SS*.  trans-67.8121.9169-64.8-176.4177.300107.5L154 E158L154-E156 PolarHBondContact O-N 3.39Å; E156-E158 PolarHBondContact O-N 3.32Å; E156-E158 VanDerWaalsContact O-N 3.13Å
157L73.4Confident70.1Confident83 Ų8382.4 Ų82.444%0.43542%0.418SS..  trans-70.2105.4165.8-67.9169.8000105.1C155 S159 L299 H310 I318C155-L157 PolarHBondContact O-N 2.57Å; L157-S159 PolarHBondContact O-N 2.7Å; L157-S159 VanDerWaalsContact O-N 3.08Å; L157-L299 HydrophobicContact CD2-CD2 4.31Å; L157-H310 VanDerWaalsContact CD2-CE1 3.46Å; L157-H310 WeakPolarHBondContact CD2-CE1 3.44Å; L157-H310 WeakPolarHBondContact CD2-ND1 3.41Å; L157-I318 HydrophobicContact CD2-CD1 3.97Å
158E58.6Low67.3Low180 Ų18087.2 Ų87.284%0.84145%0.449SS*.PPolyproline II helixtrans-51.9121.9173.5-78179.8171.500107.6E156E156-E158 PolarHBondContact O-N 3.32Å; E156-E158 VanDerWaalsContact O-N 3.13Å
159S44.1Very low64.6Low107 Ų10796 Ų9675%0.74849%0.492SS*.PPolyproline II helixtrans-49.3130.6169.5-55.40000107.1L157L157-S159 PolarHBondContact O-N 2.7Å; L157-S159 VanDerWaalsContact O-N 3.08Å
160P49.5Very low62.1Low99 Ų99101 Ų10164%0.64352%0.52SS*.PPolyproline II helixtrans-50.1137.1-179.819.9-31.1000108.2
161P43Very low59.5Low89 Ų89111.6 Ų111.658%0.57856%0.561SS**PPolyproline II helixtrans-54.4138.4-178.624.3-33.5000107.7
162P38.5Very low57Low57 Ų57119 Ų11937%0.3760%0.6SS.*PPolyproline II helixtrans-53.4149.5-173.820.8-32.8000110.4Y164 S165P162-Y164 HydrophobicContact CB-CD1 4.02Å; P162-Y164 HydrophobicContact CB-CE1 3.43Å; P162-Y164 VanDerWaalsContact CB-CE1 3.43Å; P162-Y164 HydrophobicContact CB-CE2 4.25Å; P162-Y164 HydrophobicContact CG-CD1 4.45Å; P162-Y164 HydrophobicContact CG-CD2 4.41Å; P162-Y164 HydrophobicContact CG-CE1 3.7Å; P162-Y164 HydrophobicContact CG-CE2 3.63Å; P162-Y164 WeakPolarHBondContact CG-OH 3.44Å; P162-Y164 PolarHBondContact O-N 3.29Å; P162-S165 PolarHBondContact O-N 3.15Å; P162-S165 PolarHBondContact O-OG 3.31Å
163P48Very low53.8Low124 Ų124128 Ų12881%0.80564%0.639SS**G310 helixtrans-57.1-8.3-159.915.7-29.6000116.5
164Y49.4Very low51Low189 Ų189131.3 Ų131.374%0.74167%0.665SS**G310 helixtrans-84.7-2173.850.4-99.7000115.1P162 R166P162-Y164 HydrophobicContact CB-CD1 4.02Å; P162-Y164 HydrophobicContact CB-CE1 3.43Å; P162-Y164 VanDerWaalsContact CB-CE1 3.43Å; P162-Y164 HydrophobicContact CB-CE2 4.25Å; P162-Y164 HydrophobicContact CG-CD1 4.45Å; P162-Y164 HydrophobicContact CG-CD2 4.41Å; P162-Y164 HydrophobicContact CG-CE1 3.7Å; P162-Y164 HydrophobicContact CG-CE2 3.63Å; P162-Y164 WeakPolarHBondContact CG-OH 3.44Å; P162-Y164 PolarHBondContact O-N 3.29Å; Y164-R166 PolarHBondContact O-N 3.1Å
165S45.1Very low48.3Very low67 Ų67134.6 Ų134.647%0.46969%0.689SS.*G310 helixtrans-81.47.7172.6-53.40000114.2P162 Y167P162-S165 PolarHBondContact O-N 3.15Å; P162-S165 PolarHBondContact O-OG 3.31Å; S165-Y167 PolarHBondContact O-N 3.17Å; S165-Y167 VanDerWaalsContact O-N 3.12Å
166R42.1Very low45.5Very low216 Ų216140.9 Ų140.982%0.81572%0.721SS**  trans-69.1108.3163.7-70-156.9-169.7172.87.1108.4Y164Y164-R166 PolarHBondContact O-N 3.1Å
167Y36.6Very low43.4Very low210 Ų210138.8 Ų138.882%0.82472%0.724SS**  trans-48.4133156.6-91.5-95.2000108.6S165 M169S165-Y167 PolarHBondContact O-N 3.17Å; S165-Y167 VanDerWaalsContact O-N 3.12Å; Y167-M169 PolarHBondContact O-N 2.95Å
168P38Very low42Very low102 Ų102140.9 Ų140.966%0.66274%0.742SS**  trans-58117.1179.5-21.631.3000109.8D170P168-D170 HydrophobicContact CB-CB 4.34Å; P168-D170 PolarHBondContact O-N 3.17Å
169M40.2Very low40.9Very low185 Ų185139.3 Ų139.391%0.91174%0.739SS**  trans-75.565.5162.9-78.1-74.9-72.800108.1Y167Y167-M169 PolarHBondContact O-N 2.95Å
170D41.3Very low40.4Very low128 Ų128139.2 Ų139.268%0.68474%0.739SS**  trans-116.355.5176.3-74.4-32.6000110.3P168P168-D170 HydrophobicContact CB-CB 4.34Å; P168-D170 PolarHBondContact O-N 3.17Å
171Y43.6Very low39.5Very low230 Ų230138 Ų13890%0.90274%0.744SS**SBendtrans-150.955.5163.2-89.6-73.2000111.4
172L42.5Very low39.4Very low171 Ų171139.9 Ų139.990%0.89576%0.756SS**  trans-150.970.2149.1-75.1-173.9000107.9P174L172-P174 WeakPolarHBondContact O-CD 3.46Å
173K31Very low39Very low188 Ų188142.3 Ų142.382%0.81778%0.775SS**PPolyproline II helixtrans-77.5117.5159.3-170.7174.6-175.1179.10106.5
174P37.7Very low38.1Very low100 Ų100141.2 Ų141.265%0.64977%0.77SS**PPolyproline II helixtrans-69.3135.4165.21.714.1000107.4L172 D176L172-P174 WeakPolarHBondContact O-CD 3.46Å; P174-D176 PolarHBondContact O-N 3.39Å
175P38.4Very low37.3Very low122 Ų122137 Ų13779%0.79277%0.769SS**PPolyproline II helixtrans-70.2123.516628-28.8000108.6
176D34.1Very low36.6Very low158 Ų158142.3 Ų142.385%0.84579%0.786SS**PPolyproline II helixtrans-55.5133.5165.6-63.4-56.1000110.1P174P174-D176 PolarHBondContact O-N 3.39Å
177S37.2Very low36.2Very low110 Ų110138.6 Ų138.677%0.76979%0.787SS**  trans-131.6130.2158.859.50000108.4
178P43.4Very low35.8Very low126 Ų126132.1 Ų132.182%0.81878%0.784SS**  trans-91.1142.1-179.336.4-32.2000112.2
179D34.4Very low35.5Very low147 Ų147131.1 Ų131.179%0.78679%0.793SS**  113.9131.2127-144.633.3000120.9
180S34.8Very low35Very low105 Ų105128.1 Ų128.173%0.73479%0.785SS**  trans57.5120.7154.6-63.10000119.5
181G31Very low34.5Very low73 Ų73127.8 Ų127.875%0.75379%0.788SS**  cis163.2-169.343.900000110.2
182P41.1Very low33.8Very low129 Ų129127.1 Ų127.184%0.83879%0.785SS**  -119.2171.3-111.340.9-33.8000118.5
183S28.5Very low33.2Very low109 Ų109124.3 Ų124.376%0.76278%0.78SS**  trans69.1139.5155.6-154.50000116.5
184S30.5Very low33.2Very low100 Ų100119.6 Ų119.670%0.69978%0.776SS**  -170.5150.751.4-53.40000113.5
185S31.7Very low33Very low102 Ų102121 Ų12171%0.71379%0.785SS**  trans39.7128.5144.9-1.70000125.8
186E30.9Very low32.9Very low178 Ų178122.6 Ų122.683%0.83279%0.792SS**  80.4122.3119.7-72-168.8148.500124.4
187T34.2Very low32.8Very low138 Ų138118 Ų11885%0.84778%0.782SS**  trans30.4136.6140.832.70000123.1
188G28.4Very low32.5Very low73 Ų73121.3 Ų121.375%0.75379%0.79SS**  trans160.687.615000000114.5
189G29.9Very low32.2Very low82 Ų82120.5 Ų120.585%0.84579%0.788SS**  trans-69142.2168.500000111.7
190T30.1Very low32.2Very low122 Ų122119.4 Ų119.475%0.74878%0.782SS**  trans-113.3110167.336.30000109.5
191T30.6Very low32.1Very low121 Ų121120 Ų12074%0.74279%0.786SS**  trans-69.6123.5170.5-50.10000109.3
192Y29.3Very low32.7Very low215 Ų215124.6 Ų124.684%0.84379%0.792SS**  trans-115.7100.9155.4-72.1-77.5000108
193S29.9Very low32.4Very low112 Ų112122.3 Ų122.378%0.78378%0.784SS**  trans-68.5129170.2-53.40000109.6
194A31.5Very low33.1Very low90 Ų90125.4 Ų125.474%0.74479%0.791SS**  trans-110148.6158.300000108.5
195P33.2Very low33.2Very low129 Ų129128.4 Ų128.484%0.83879%0.794SS**  trans-81.6150-147.231.3-35.7000114.9
196V37.2Very low33.7Very low156 Ų156132.7 Ų132.795%0.94580%0.803SS**  trans-71136168.3177.90000110.3
197G30.3Very low34Very low61 Ų61127.5 Ų127.563%0.62979%0.786SS**  trans155.6121.9165.500000108.9
198L31.5Very low34.6Very low179 Ų179125.1 Ų125.194%0.93779%0.789SS**  cis-148.114517.4-80.2154.9000108.4
199S37.9Very low35.5Very low110 Ų110129.1 Ų129.177%0.76979%0.788SS**  trans-74.7154169.4-1630000110.8
200D34.2Very low36.8Very low124 Ų124129.2 Ų129.266%0.66377%0.774SS**  trans82.8102.7149.6-113.7-20.3000119.6
201S32.4Very low39.4Very low117 Ų117127.6 Ų127.682%0.81877%0.773SS**  trans-151.678.4145.5-62.40000108.2A203S201-A203 PolarHBondContact O-N 3.27Å
202L44.3Very low42.3Very low170 Ų170124.6 Ų124.689%0.8975%0.751SS**  trans-5995.1150.4-73.4170.3000107.8
203A33.2Very low45.4Very low81 Ų81114.8 Ų114.867%0.66971%0.712SS**  trans-127.9107167.600000108.3S201 Q205S201-A203 PolarHBondContact O-N 3.27Å; A203-Q205 PolarHBondContact O-N 3.03Å
204L43.8Very low48.5Very low173 Ų173109.5 Ų109.591%0.90668%0.675SS**  trans-16115.3155.8-80.2141.4000113.6
205Q32.6Very low51.6Low164 Ų164106 Ų10677%0.76664%0.644SS**  trans-136.880.2151-155.8165.712.800109.3A203 S207A203-Q205 PolarHBondContact O-N 3.03Å; Q205-S207 PolarHBondContact O-N 2.86Å
206E41.9Very low54.7Low192 Ų19299.8 Ų99.890%0.89760%0.604SS**  trans-62.694.3141.9-73.1-164.4156.100107.1
207S38Very low57.6Low68 Ų6892.5 Ų92.548%0.47656%0.56SS.*  trans-118.6107.2158.558.60000107.3Q205 E209Q205-S207 PolarHBondContact O-N 2.86Å; S207-E209 PolarHBondContact O-N 2.89Å
208G46.5Very low60.9Low88 Ų8889.6 Ų89.691%0.90753%0.53SS*.  trans-67.760.3177.600000113.5
209E48.2Very low64.1Low157 Ų15783.8 Ų83.873%0.73450%0.496SS*.  trans-76.3135.3158.8-74.7-158.6153.100108.9S207 A211S207-E209 PolarHBondContact O-N 2.89Å; E209-A211 PolarHBondContact O-N 2.92Å
210P56.6Low66.9Low84 Ų8478.5 Ų78.555%0.54546%0.459SS..  trans-55.7118.9171.4-17.527.5000108.9H212 Q232P210-H212 PolarHBondContact O-N 3.17Å; P210-Q232 HydrophobicContact CB-CG 4.23Å; P210-Q232 PolarHBondContact O-NE2 2.98Å
211A83.6Confident69.9Low89 Ų8975.6 Ų75.674%0.73644%0.441SS*.  trans-58.6115.3177.800000108.9E209E209-A211 PolarHBondContact O-N 2.92Å
212H91.6Very high73Confident58 Ų5877.8 Ų77.827%0.26944%0.436SS..  trans-60.6140.5171.759.1-85.4000108.7P210 V215 V231 Q232 N376P210-H212 PolarHBondContact O-N 3.17Å; H212-V215 VanDerWaalsContact CD2-CG2 3.41Å; H212-V215 WeakPolarHBondContact CD2-CG2 3.34Å; H212-V215 WeakPolarHBondContact NE2-CG2 3.21Å; H212-V231 CarbonylContact C-O 3.52Å; H212-V231 WeakPolarHBondContact CA-O 3.28Å; H212-V231 VanDerWaalsContact CB-O 3.27Å; H212-V231 WeakPolarHBondContact CB-O 3.42Å; H212-Q232 HydrophobicContact CB-CG 4.19Å; H212-N376 PolarHBondContact CD2-ND2 2.98Å; H212-N376 PolarHBondContact NE2-ND2 2.91Å; H212-N376 PolarHBondContact O-ND2 2.95Å
213W94.4Very high75.4Confident9 Ų973.9 Ų73.93%0.03442%0.419CS..SBendtrans-93.3-18.3-177.362.5-93000112.6V231 E233 L275 R277 V282 F375 N376W213-V231 HydrophobicContact CZ2-CB 4.32Å; W213-V231 HydrophobicContact CZ2-CG1 3.74Å; W213-V231 PolarHBondContact N-O 2.96Å; W213-V231 PolarHBondContact NE1-O 2.99Å; W213-E233 PolarHBondContact NE1-O 2.83Å; W213-L275 HydrophobicContact CH2-CD2 3.47Å; W213-L275 VanDerWaalsContact CH2-CD2 3.47Å; W213-L275 HydrophobicContact CH2-CG 3.78Å; W213-L275 HydrophobicContact CZ2-CD2 4.28Å; W213-L275 HydrophobicContact CZ3-CD2 4.13Å; W213-R277 HydrophobicContact CD2-CB 4.06Å; W213-R277 HydrophobicContact CD2-CG 4.45Å; W213-R277 HydrophobicContact CE3-CB 4.08Å; W213-R277 HydrophobicContact CE3-CG 4.38Å; W213-R277 HydrophobicContact CH2-CB 4.02Å; W213-R277 HydrophobicContact CZ2-CB 4.04Å; W213-R277 HydrophobicContact CZ3-CB 4.04Å; W213-V282 HydrophobicContact CE3-CG2 4.48Å; W213-V282 HydrophobicContact CH2-CG1 3.94Å; W213-V282 HydrophobicContact CZ3-CG1 3.77Å; W213-V282 HydrophobicContact CZ3-CG2 3.85Å; W213-F375 HydrophobicContact CE3-CD1 4.15Å; W213-F375 HydrophobicContact CE3-CE1 4.39Å; W213-F375 AromaticContact CZ3-CD1 4Å; W213-F375 HydrophobicContact CZ3-CD1 4Å; W213-F375 AromaticContact CZ3-CE1 3.77Å; W213-F375 HydrophobicContact CZ3-CE1 3.77Å; W213-N376 PolarHBondContact O-N 2.71Å; W213-N376 VanDerWaalsContact O-N 3.16Å
214C95.9Very high78.5Confident0 Ų076.2 Ų76.20%041%0.411CS..EExtended strand (participates in β ladder)trans-151.2165.6167.974.50000112.2V231 V373 I374 F375C214-V231 PolarHBondContact O-N 3.35Å; C214-V231 WeakPolarHBondContact SG-CG2 3.29Å; C214-V373 HydrophobicContact CB-CG1 4.13Å; C214-I374 CarbonylContact C-O 3.56Å; C214-I374 WeakPolarHBondContact CA-O 3.44Å; C214-I374 VanDerWaalsContact CB-O 3.27Å; C214-I374 WeakPolarHBondContact CB-O 3.49Å; C214-F375 HydrophobicContact CB-CD1 3.6Å; C214-F375 HydrophobicContact CB-CE1 3.97Å
215V96.8Very high81Confident16 Ų1668.5 Ų68.510%0.09737%0.371CS..EExtended strand (participates in β ladder)trans-123.4136.5171.5-178.30000108.4H212 L228 Y229 I374H212-V215 VanDerWaalsContact CD2-CG2 3.41Å; H212-V215 WeakPolarHBondContact CD2-CG2 3.34Å; H212-V215 WeakPolarHBondContact NE2-CG2 3.21Å; V215-L228 HydrophobicContact CG1-CB 3.63Å; V215-L228 HydrophobicContact CG1-CD1 4.13Å; V215-L228 HydrophobicContact CG1-CD2 4.02Å; V215-L228 HydrophobicContact CG1-CG 4.12Å; V215-Y229 WeakPolarHBondContact CA-O 3.3Å; V215-I374 PolarHBondContact N-O 3.45Å; V215-I374 PolarHBondContact O-N 2.96Å
216V98.3Very high84Confident0 Ų062.4 Ų62.40%035%0.352CS..EExtended strand (participates in β ladder)trans-113129.7178.5-173.10000110.3Y229 V231 L236 I238 F248 L371 E372 V373V216-Y229 PolarHBondContact N-O 2.84Å; V216-Y229 PolarHBondContact O-N 2.92Å; V216-V231 HydrophobicContact CG2-CG2 4.09Å; V216-L236 HydrophobicContact CG2-CD2 4.1Å; V216-I238 HydrophobicContact CG1-CD1 4.09Å; V216-I238 HydrophobicContact CG2-CD1 4.35Å; V216-F248 HydrophobicContact CB-CD1 4.33Å; V216-F248 HydrophobicContact CB-CE1 4.33Å; V216-F248 HydrophobicContact CG1-CD1 4.06Å; V216-F248 HydrophobicContact CG1-CE1 3.98Å; V216-L371 HydrophobicContact CG1-CB 4.49Å; V216-L371 HydrophobicContact CG1-CD2 3.97Å; V216-E372 WeakPolarHBondContact CA-O 3.16Å; V216-V373 HydrophobicContact CG1-CG2 4.38Å; V216-V373 HydrophobicContact CG2-CG1 4.33Å; V216-V373 HydrophobicContact CG2-CG2 4.33Å
217A98.2Very high86.5Confident2 Ų263.8 Ų63.82%0.01735%0.349CS..EExtended strand (participates in β ladder)trans-112.3135.3170.200000110.3L228 L371 E372A217-L228 HydrophobicContact CB-CD2 3.6Å; A217-L371 VanDerWaalsContact O-CA 3.3Å; A217-L371 WeakPolarHBondContact O-CA 3.3Å; A217-E372 HydrophobicContact CB-CB 4.3Å; A217-E372 PolarHBondContact N-O 3.41Å; A217-E372 PolarHBondContact O-N 2.8Å
218Y98.6Very high89.3Confident1 Ų165 Ų650%0.00435%0.35CS..EExtended strand (participates in β ladder)trans-102.7138.9173.2176.7-114.5000110.9E220 V225 L250 L253 R266 C369 W370 L371Y218-E220 HydrophobicContact CE1-CG 3.74Å; Y218-E220 WeakPolarHBondContact CE1-OE1 3.3Å; Y218-E220 PolarHBondContact OH-OE1 3.3Å; Y218-V225 HydrophobicContact CD1-CB 3.74Å; Y218-V225 HydrophobicContact CD1-CG1 4.02Å; Y218-V225 HydrophobicContact CE1-CB 4.03Å; Y218-V225 HydrophobicContact CE1-CG1 4.11Å; Y218-V225 PolarHBondContact O-N 3.39Å; Y218-L250 HydrophobicContact CD1-CD2 4.24Å; Y218-L250 HydrophobicContact CD2-CD1 4.02Å; Y218-L250 HydrophobicContact CD2-CD2 3.89Å; Y218-L250 HydrophobicContact CE2-CD1 3.98Å; Y218-L250 HydrophobicContact CE2-CD2 4.47Å; Y218-L250 HydrophobicContact CG-CD2 3.75Å; Y218-L253 HydrophobicContact CD1-CD1 3.5Å; Y218-L253 HydrophobicContact CE1-CD1 4.28Å; Y218-L253 HydrophobicContact CG-CD1 4.11Å; Y218-R266 VanDerWaalsContact CE1-NH1 3.32Å; Y218-R266 PolarHBondContact OH-NH1 3.39Å; Y218-R266 VanDerWaalsContact OH-NH1 3.15Å; Y218-C369 HydrophobicContact CE2-CB 4.03Å; Y218-C369 PolarHBondContact OH-SG 2.89Å; Y218-W370 WeakPolarHBondContact CD2-O 3.24Å; Y218-L371 HydrophobicContact CD2-CD2 3.78Å; Y218-L371 HydrophobicContact CG-CD2 4.38Å
219W98.5Very high91.7Very high56 Ų5664.4 Ų64.421%0.21232%0.321CS..EExtended strand (participates in β ladder)trans-134.3141.4-174.5-62.187.9000110.9T223 R224 C369 W370W219-T223 WeakPolarHBondContact CA-O 3.5Å; W219-R224 HydrophobicContact CD2-CB 4.08Å; W219-R224 HydrophobicContact CD2-CG 4.44Å; W219-R224 HydrophobicContact CE3-CB 3.76Å; W219-R224 VanDerWaalsContact CE3-N 3.27Å; W219-R224 HydrophobicContact CH2-CB 3.87Å; W219-R224 HydrophobicContact CH2-CG 4.48Å; W219-R224 HydrophobicContact CZ2-CB 4.18Å; W219-R224 HydrophobicContact CZ2-CG 4.34Å; W219-R224 HydrophobicContact CZ3-CB 3.65Å; W219-C369 WeakPolarHBondContact O-CA 3.44Å; W219-W370 HydrophobicContact CB-CD2 3.67Å; W219-W370 HydrophobicContact CB-CE3 4.35Å; W219-W370 HydrophobicContact CB-CG 4.04Å; W219-W370 HydrophobicContact CB-CH2 4.21Å; W219-W370 HydrophobicContact CB-CZ2 3.51Å; W219-W370 VanDerWaalsContact CB-NE1 3.29Å; W219-W370 AromaticContact CD1-CE3 3.93Å; W219-W370 AromaticContact CD1-CH2 3.59Å; W219-W370 AromaticContact CD1-CZ2 3.81Å; W219-W370 AromaticContact CD1-CZ3 3.68Å; W219-W370 AromaticContact CD2-CH2 3.84Å; W219-W370 HydrophobicContact CD2-CH2 3.84Å; W219-W370 AromaticContact CD2-CZ2 3.65Å; W219-W370 HydrophobicContact CD2-CZ2 3.65Å; W219-W370 AromaticContact CE2-CH2 3.95Å; W219-W370 HydrophobicContact CE3-CZ2 4.07Å; W219-W370 HydrophobicContact CG-CD2 4.07Å; W219-W370 AromaticContact CG-CE2 3.62Å; W219-W370 HydrophobicContact CG-CE3 4.29Å; W219-W370 AromaticContact CG-CH2 3.65Å; W219-W370 HydrophobicContact CG-CH2 3.65Å; W219-W370 AromaticContact CG-CZ2 3.39Å; W219-W370 HydrophobicContact CG-CZ2 3.39Å; W219-W370 HydrophobicContact CG-CZ3 4.12Å; W219-W370 PolarHBondContact N-O 3.37Å; W219-W370 AromaticContact NE1-CH2 3.75Å; W219-W370 AromaticContact NE1-CZ3 3.99Å; W219-W370 PolarHBondContact O-N 3.46Å
220E98.1Very high94Very high0 Ų060.1 Ų60.10%031%0.308CS..EExtended strand (participates in β ladder)trans-116.8108.8168.8-68176.9179.700108.1Y218 K222 T223 V225 S255 N257 V262 R266 P368Y218-E220 HydrophobicContact CE1-CG 3.74Å; Y218-E220 WeakPolarHBondContact CE1-OE1 3.3Å; Y218-E220 PolarHBondContact OH-OE1 3.3Å; E220-K222 PolarHBondContact O-N 3.45Å; E220-T223 PolarHBondContact N-O 2.91Å; E220-T223 PolarHBondContact O-N 3.44Å; E220-V225 HydrophobicContact CB-CG2 3.97Å; E220-V225 HydrophobicContact CG-CG2 3.82Å; E220-S255 WeakPolarHBondContact OE1-CB 3.5Å; E220-S255 PolarHBondContact OE1-OG 3.41Å; E220-S255 WeakPolarHBondContact OE2-CB 3.33Å; E220-S255 PolarHBondContact OE2-OG 2.95Å; E220-N257 WeakPolarHBondContact OE2-CB 3.07Å; E220-V262 HydrophobicContact CB-CG1 4.06Å; E220-V262 HydrophobicContact CG-CG1 3.8Å; E220-R266 VanDerWaalsContact OE1-CD 3.28Å; E220-R266 WeakPolarHBondContact OE1-CD 3.41Å; E220-R266 IonicContact OE1-CZ 2.73Å; E220-R266 IonicContact OE1-NE 3.76Å; E220-R266 IonicContact OE1-NH1 3.56Å; E220-R266 PolarHBondContact OE1-NH1 3.45Å; E220-P368 VanDerWaalsContact CA-O 3.26Å; E220-P368 WeakPolarHBondContact CA-O 3.07Å
221E96.9Very high95.9Very high63 Ų6356.3 Ų56.329%0.29428%0.283SS..THydrogen-bonded Turntrans54.7-111.5-171-58.3168.9154.200110.9N257 V262 S365 C367 P368 W370E221-N257 PolarHBondContact OE2-ND2 3.28Å; E221-V262 HydrophobicContact CG-CG2 4.07Å; E221-S365 CarbonylContact C-O 3.6Å; E221-S365 VanDerWaalsContact CA-O 3.25Å; E221-S365 WeakPolarHBondContact CA-O 3.17Å; E221-S365 WeakPolarHBondContact O-CA 3.01Å; E221-C367 VanDerWaalsContact CA-O 3.28Å; E221-C367 WeakPolarHBondContact CA-O 3.41Å; E221-C367 PolarHBondContact N-O 3.17Å; E221-P368 PolarHBondContact N-O 3.42Å; E221-W370 PolarHBondContact O-NE1 3.5Å
222K96.2Very high96.4Very high163 Ų16356.5 Ų56.571%0.70927%0.269SS*.THydrogen-bonded Turntrans-96.1-4.5179.7-69.3174.3-177.8-176.30113.6E220E220-K222 PolarHBondContact O-N 3.45Å
223T96.5Very high96.5Very high87 Ų8760.1 Ų60.153%0.53429%0.286SS..EExtended strand (participates in β ladder)trans-105.8127.4-169.1-56.40000110.6W219 E220W219-T223 WeakPolarHBondContact CA-O 3.5Å; E220-T223 PolarHBondContact N-O 2.91Å; E220-T223 PolarHBondContact O-N 3.44Å
224R96.9Very high96.5Very high131 Ų13163.3 Ų63.349%0.49431%0.308SS..EExtended strand (participates in β ladder)trans-72.7131.2172.7-172.7172.862.392.2-3.8109.4W219 G226W219-R224 HydrophobicContact CD2-CB 4.08Å; W219-R224 HydrophobicContact CD2-CG 4.44Å; W219-R224 HydrophobicContact CE3-CB 3.76Å; W219-R224 VanDerWaalsContact CE3-N 3.27Å; W219-R224 HydrophobicContact CH2-CB 3.87Å; W219-R224 HydrophobicContact CH2-CG 4.48Å; W219-R224 HydrophobicContact CZ2-CB 4.18Å; W219-R224 HydrophobicContact CZ2-CG 4.34Å; W219-R224 HydrophobicContact CZ3-CB 3.65Å; R224-G226 PolarHBondContact NH1-O 2.88Å
225V97.5Very high96.4Very high10 Ų1064.9 Ų64.96%0.06132%0.319CS..  trans-118.8121.8-177.6177.30000109.3Y218 E220 L253 C254Y218-V225 HydrophobicContact CD1-CB 3.74Å; Y218-V225 HydrophobicContact CD1-CG1 4.02Å; Y218-V225 HydrophobicContact CE1-CB 4.03Å; Y218-V225 HydrophobicContact CE1-CG1 4.11Å; Y218-V225 PolarHBondContact O-N 3.39Å; E220-V225 HydrophobicContact CB-CG2 3.97Å; E220-V225 HydrophobicContact CG-CG2 3.82Å; V225-L253 HydrophobicContact CG1-CB 4.01Å; V225-L253 HydrophobicContact CG1-CD1 4.45Å; V225-C254 WeakPolarHBondContact CG1-O 3.22Å
226G95.6Very high96.4Very high36 Ų3664.6 Ų64.637%0.37132%0.316SS..SBendtrans80.8-175.1-176.600000114.6R224R224-G226 PolarHBondContact NH1-O 2.88Å
227R94.7Very high96.3Very high221 Ų22164.8 Ų64.883%0.83432%0.318SS*.  trans-84.8164.3177.3-63.3-178.4-178.3179.8-0.1110.8
228L96Very high96.3Very high94 Ų9464.7 Ų64.749%0.49232%0.317SS..  trans-65.1137.3166.9-66.7178.1000109.6V215 A217V215-L228 HydrophobicContact CG1-CB 3.63Å; V215-L228 HydrophobicContact CG1-CD1 4.13Å; V215-L228 HydrophobicContact CG1-CD2 4.02Å; V215-L228 HydrophobicContact CG1-CG 4.12Å; A217-L228 HydrophobicContact CB-CD2 3.6Å
229Y96.6Very high96.3Very high76 Ų7665.1 Ų65.130%0.29832%0.319SS..EExtended strand (participates in β ladder)trans-106.1108.1178.8-168.3-74.2000109.6V215 V216 V231 L236 F248V215-Y229 WeakPolarHBondContact CA-O 3.3Å; V216-Y229 PolarHBondContact N-O 2.84Å; V216-Y229 PolarHBondContact O-N 2.92Å; Y229-V231 HydrophobicContact CD1-CG2 3.99Å; Y229-V231 HydrophobicContact CE1-CG2 4.34Å; Y229-L236 HydrophobicContact CD1-CD1 4.39Å; Y229-L236 HydrophobicContact CD1-CD2 3.98Å; Y229-L236 HydrophobicContact CE1-CD1 3.61Å; Y229-L236 HydrophobicContact CE1-CD2 3.99Å; Y229-L236 HydrophobicContact CE1-CG 4.47Å; Y229-F248 HydrophobicContact CD1-CB 4.48Å; Y229-F248 HydrophobicContact CD2-CB 3.87Å; Y229-F248 HydrophobicContact CD2-CD1 4.24Å; Y229-F248 AromaticContact CD2-CD2 3.65Å; Y229-F248 HydrophobicContact CD2-CD2 3.65Å; Y229-F248 HydrophobicContact CD2-CE2 4.21Å; Y229-F248 AromaticContact CD2-CG 3.67Å; Y229-F248 HydrophobicContact CD2-CG 3.67Å; Y229-F248 HydrophobicContact CE2-CB 3.95Å; Y229-F248 HydrophobicContact CE2-CD2 4.25Å; Y229-F248 HydrophobicContact CE2-CG 4.23Å; Y229-F248 HydrophobicContact CG-CB 4.15Å; Y229-F248 HydrophobicContact CG-CD1 4.04Å; Y229-F248 HydrophobicContact CG-CD2 4.27Å; Y229-F248 HydrophobicContact CG-CE1 4.5Å; Y229-F248 AromaticContact CG-CG 3.92Å; Y229-F248 HydrophobicContact CG-CG 3.92Å
230S96.2Very high96.2Very high66 Ų6666 Ų6646%0.46232%0.322SS..EExtended strand (participates in β ladder)trans-82133.6178.3-560000111.1
231V96.4Very high95.8Very high4 Ų470.8 Ų70.82%0.02435%0.348CS..EExtended strand (participates in β ladder)trans-114115-173.7-164.10000111.1H212 W213 C214 V216 Y229 L236H212-V231 CarbonylContact C-O 3.52Å; H212-V231 WeakPolarHBondContact CA-O 3.28Å; H212-V231 VanDerWaalsContact CB-O 3.27Å; H212-V231 WeakPolarHBondContact CB-O 3.42Å; W213-V231 HydrophobicContact CZ2-CB 4.32Å; W213-V231 HydrophobicContact CZ2-CG1 3.74Å; W213-V231 PolarHBondContact N-O 2.96Å; W213-V231 PolarHBondContact NE1-O 2.99Å; C214-V231 PolarHBondContact O-N 3.35Å; C214-V231 WeakPolarHBondContact SG-CG2 3.29Å; V216-V231 HydrophobicContact CG2-CG2 4.09Å; Y229-V231 HydrophobicContact CD1-CG2 3.99Å; Y229-V231 HydrophobicContact CE1-CG2 4.34Å; V231-L236 HydrophobicContact CG1-CB 3.92Å; V231-L236 HydrophobicContact CG1-CD2 4.34Å; V231-L236 HydrophobicContact CG2-CD2 3.59Å
232Q94.3Very high95.4Very high93 Ų9368.5 Ų68.544%0.43534%0.338SS..  trans-99.1-46.4175.8-67.8174.6-10.300111.6P210 H212P210-Q232 HydrophobicContact CB-CG 4.23Å; P210-Q232 PolarHBondContact O-NE2 2.98Å; H212-Q232 HydrophobicContact CB-CG 4.19Å
233E94.3Very high94.5Very high134 Ų13465.3 Ų65.363%0.62633%0.334SS*.SBendtrans-61.1146.6178.9-67.1-58.5145.400112.3W213 S235W213-E233 PolarHBondContact NE1-O 2.83Å; E233-S235 PolarHBondContact O-N 2.84Å
234P93.9Very high93.6Very high77 Ų7768.5 Ų68.550%0.534%0.343SS..SBendtrans-65.4-11.8-177.528-35.9000113.5T276 R277P234-T276 CarbonylContact O-C 3.42Å; P234-T276 WeakPolarHBondContact O-CA 3.5Å; P234-R277 PolarHBondContact O-N 2.85Å
235S95.1Very high92.7Very high33 Ų3363.6 Ų63.623%0.23133%0.333CS..EExtended strand (participates in β ladder)trans-139.1141.3177.3-168.70000111.5E233 Q274 L275 T276E233-S235 PolarHBondContact O-N 2.84Å; S235-Q274 WeakPolarHBondContact OG-CG 3.18Å; S235-L275 CarbonylContact C-O 3.59Å; S235-L275 VanDerWaalsContact CA-O 3.24Å; S235-L275 WeakPolarHBondContact CA-O 3.48Å; S235-L275 PolarHBondContact OG-O 3.03Å; S235-T276 PolarHBondContact OG-OG1 2.87Å
236L96.4Very high92.1Very high9 Ų970 Ų705%0.04737%0.367CS..EExtended strand (participates in β ladder)trans-131.7125.8176.5174.765.6000110.1V216 Y229 V231 I238 F248 Q274 L275V216-L236 HydrophobicContact CG2-CD2 4.1Å; Y229-L236 HydrophobicContact CD1-CD1 4.39Å; Y229-L236 HydrophobicContact CD1-CD2 3.98Å; Y229-L236 HydrophobicContact CE1-CD1 3.61Å; Y229-L236 HydrophobicContact CE1-CD2 3.99Å; Y229-L236 HydrophobicContact CE1-CG 4.47Å; V231-L236 HydrophobicContact CG1-CB 3.92Å; V231-L236 HydrophobicContact CG1-CD2 4.34Å; V231-L236 HydrophobicContact CG2-CD2 3.59Å; L236-I238 HydrophobicContact CD2-CD1 3.98Å; L236-I238 HydrophobicContact CD2-CG1 3.75Å; L236-I238 HydrophobicContact CG-CD1 4.5Å; L236-I238 HydrophobicContact CG-CG1 3.85Å; L236-F248 HydrophobicContact CD1-CB 4.3Å; L236-F248 HydrophobicContact CD2-CB 4.41Å; L236-Q274 CarbonylContact O-C 3.45Å; L236-Q274 WeakPolarHBondContact O-CA 3.4Å; L236-L275 PolarHBondContact N-O 2.91Å; L236-L275 PolarHBondContact O-N 3.39Å
237D96.4Very high92Very high5 Ų569.2 Ų69.23%0.02736%0.359CS..EExtended strand (participates in β ladder)trans-85.9129.8165.9-67-40.3000109.4R87 F239 G247 F248 Q274 R287R87-D237 IonicContact NH2-OD2 3.41Å; R87-D237 PolarHBondContact NH2-OD2 2.72Å; D237-F239 HydrophobicContact CB-CD1 4.09Å; D237-F239 HydrophobicContact CB-CE1 4.35Å; D237-G247 CarbonylContact O-C 3.59Å; D237-G247 WeakPolarHBondContact O-CA 3.33Å; D237-F248 PolarHBondContact O-N 2.85Å; D237-Q274 WeakPolarHBondContact OD1-CB 3.47Å; D237-Q274 WeakPolarHBondContact OD1-CG 3.47Å; D237-Q274 PolarHBondContact OD1-NE2 3.02Å; D237-R287 IonicContact OD1-NH1 2.82Å; D237-R287 PolarHBondContact OD1-NH1 3.27Å; D237-R287 IonicContact OD2-NH1 2.81Å; D237-R287 PolarHBondContact OD2-NH1 3.41Å; D237-R287 VanDerWaalsContact OD2-NH1 3.15Å
238I97.9Very high92.1Very high0 Ų059.2 Ų59.20%032%0.322CS..EExtended strand (participates in β ladder)trans-122.2115.7176.2-50.8172.1000107.9V216 L236 F248 L250 G272 I273 L371V216-I238 HydrophobicContact CG1-CD1 4.09Å; V216-I238 HydrophobicContact CG2-CD1 4.35Å; L236-I238 HydrophobicContact CD2-CD1 3.98Å; L236-I238 HydrophobicContact CD2-CG1 3.75Å; L236-I238 HydrophobicContact CG-CD1 4.5Å; L236-I238 HydrophobicContact CG-CG1 3.85Å; I238-F248 WeakPolarHBondContact CA-O 3.46Å; I238-F248 HydrophobicContact CG1-CB 4.18Å; I238-F248 HydrophobicContact CG2-CB 4.26Å; I238-F248 HydrophobicContact CG2-CD1 4.16Å; I238-F248 HydrophobicContact CG2-CG 4.43Å; I238-L250 HydrophobicContact CG2-CD1 3.97Å; I238-L250 HydrophobicContact CG2-CD2 4.09Å; I238-L250 HydrophobicContact CG2-CG 3.99Å; I238-G272 CarbonylContact O-C 3.52Å; I238-G272 VanDerWaalsContact O-CA 3.3Å; I238-G272 WeakPolarHBondContact O-CA 3.31Å; I238-I273 HydrophobicContact CB-CG1 3.98Å; I238-I273 HydrophobicContact CD1-CD1 4.21Å; I238-I273 HydrophobicContact CD1-CG1 4.32Å; I238-I273 HydrophobicContact CG1-CG1 4.47Å; I238-I273 PolarHBondContact N-O 2.9Å; I238-I273 PolarHBondContact O-N 2.96Å; I238-L371 HydrophobicContact CD1-CD1 3.88Å; I238-L371 HydrophobicContact CG2-CD1 4.03Å; I238-L371 HydrophobicContact CG2-CD2 4.39Å
239F97.4Very high92.2Very high9 Ų955.7 Ų55.74%0.03930%0.304CS..EExtended strand (participates in β ladder)trans-149.2165.2-165.958.5-89.9000112.3D237 L242 F248 C249 L250D237-F239 HydrophobicContact CB-CD1 4.09Å; D237-F239 HydrophobicContact CB-CE1 4.35Å; F239-L242 HydrophobicContact CB-CB 4.13Å; F239-L242 HydrophobicContact CD1-CB 4.13Å; F239-L242 HydrophobicContact CD1-CD2 3.79Å; F239-L242 HydrophobicContact CD2-CB 3.26Å; F239-L242 HydrophobicContact CD2-CD2 4.47Å; F239-L242 HydrophobicContact CD2-CG 4.48Å; F239-L242 HydrophobicContact CE1-CB 4.38Å; F239-L242 HydrophobicContact CE1-CD2 4.05Å; F239-L242 HydrophobicContact CE2-CB 3.56Å; F239-L242 HydrophobicContact CG-CB 3.58Å; F239-L242 HydrophobicContact CG-CD2 4Å; F239-L242 HydrophobicContact CG-CG 4.43Å; F239-L242 HydrophobicContact CZ-CB 4.11Å; F239-L242 HydrophobicContact CZ-CD2 4.49Å; F239-F248 PolarHBondContact N-O 2.83Å; F239-F248 VanDerWaalsContact N-O 3.09Å; F239-C249 HydrophobicContact CD2-CB 4.33Å; F239-C249 HydrophobicContact CE2-CB 3.67Å; F239-C249 HydrophobicContact CZ-CB 3.87Å; F239-C249 CarbonylContact O-C 3.55Å; F239-C249 WeakPolarHBondContact O-CA 3.44Å; F239-L250 PolarHBondContact O-N 2.92Å
240Y96Very high92.2Very high75 Ų7552 Ų5229%0.29429%0.29SS..SBendtrans-100.4-44.2172.1-175.7-88.9000112R266 G270Y240-R266 HydrophobicContact CD2-CB 4.11Å; Y240-R266 WeakPolarHBondContact CD2-O 3.39Å; Y240-R266 HydrophobicContact CE2-CB 3.7Å; Y240-R266 HydrophobicContact CE2-CG 4.47Å; Y240-R266 VanDerWaalsContact CG-O 3.25Å; Y240-G270 PolarHBondContact N-O 2.84Å
241D89.9Confident92.1Very high100 Ų10050.3 Ų50.354%0.53528%0.282SS..  trans-137.5118.3176.1179.114.4000108.5G270 Y271D241-G270 PolarHBondContact N-O 2.89Å; D241-G270 CarbonylContact O-C 3.55Å; D241-Y271 VanDerWaalsContact O-CD1 3.28Å; D241-Y271 WeakPolarHBondContact O-CD1 3.4Å
242L88.3Confident91.9Very high15 Ų1557.8 Ų57.88%0.07932%0.317CS..  trans-145.4108.1177.6-170.361.9000108.8G85 F239 Q244 G245 Y271G85-L242 WeakPolarHBondContact O-CD1 3.34Å; F239-L242 HydrophobicContact CB-CB 4.13Å; F239-L242 HydrophobicContact CD1-CB 4.13Å; F239-L242 HydrophobicContact CD1-CD2 3.79Å; F239-L242 HydrophobicContact CD2-CB 3.26Å; F239-L242 HydrophobicContact CD2-CD2 4.47Å; F239-L242 HydrophobicContact CD2-CG 4.48Å; F239-L242 HydrophobicContact CE1-CB 4.38Å; F239-L242 HydrophobicContact CE1-CD2 4.05Å; F239-L242 HydrophobicContact CE2-CB 3.56Å; F239-L242 HydrophobicContact CG-CB 3.58Å; F239-L242 HydrophobicContact CG-CD2 4Å; F239-L242 HydrophobicContact CG-CG 4.43Å; F239-L242 HydrophobicContact CZ-CB 4.11Å; F239-L242 HydrophobicContact CZ-CD2 4.49Å; L242-Q244 PolarHBondContact O-N 2.79Å; L242-G245 PolarHBondContact O-N 2.9Å; L242-Y271 HydrophobicContact CD1-CD1 3.53Å; L242-Y271 HydrophobicContact CD1-CE1 4.06Å; L242-Y271 HydrophobicContact CD1-CG 3.96Å
243P77.1Confident91.9Very high97 Ų9754.9 Ų54.963%0.6330%0.304SS*.THydrogen-bonded Turntrans-56.7-24.4-167.9-29.834.8000116.3
244Q79.3Confident91.7Very high153 Ų15353.9 Ų53.972%0.71531%0.311SS*.THydrogen-bonded Turntrans-136.831177.4-61.8178.92.100110.8L242L242-Q244 PolarHBondContact O-N 2.79Å
245G77.7Confident91.4Very high29 Ų2952 Ų5230%0.29930%0.3SS..  trans-74.2133.2-177.800000112.3L242L242-G245 PolarHBondContact O-N 2.9Å
246N85.5Confident91.1Very high143 Ų14358 Ų5877%0.76533%0.329SS*.  trans-113.2135.8160.6-173.111.5000108
247G93.5Very high90.7Very high20 Ų2059 Ų5921%0.20634%0.335CS..EExtended strand (participates in β ladder)trans138.1-149.2-176.600000112.4D237 C249D237-G247 CarbonylContact O-C 3.59Å; D237-G247 WeakPolarHBondContact O-CA 3.33Å; G247-C249 PolarHBondContact O-N 2.82Å
248F96.8Very high90.4Very high12 Ų1267.9 Ų67.95%0.05337%0.373CS..EExtended strand (participates in β ladder)trans-91.295.9-173.3-170-167.9000111.4V216 Y229 L236 D237 I238 F239 L250 L253V216-F248 HydrophobicContact CB-CD1 4.33Å; V216-F248 HydrophobicContact CB-CE1 4.33Å; V216-F248 HydrophobicContact CG1-CD1 4.06Å; V216-F248 HydrophobicContact CG1-CE1 3.98Å; Y229-F248 HydrophobicContact CD1-CB 4.48Å; Y229-F248 HydrophobicContact CD2-CB 3.87Å; Y229-F248 HydrophobicContact CD2-CD1 4.24Å; Y229-F248 AromaticContact CD2-CD2 3.65Å; Y229-F248 HydrophobicContact CD2-CD2 3.65Å; Y229-F248 HydrophobicContact CD2-CE2 4.21Å; Y229-F248 AromaticContact CD2-CG 3.67Å; Y229-F248 HydrophobicContact CD2-CG 3.67Å; Y229-F248 HydrophobicContact CE2-CB 3.95Å; Y229-F248 HydrophobicContact CE2-CD2 4.25Å; Y229-F248 HydrophobicContact CE2-CG 4.23Å; Y229-F248 HydrophobicContact CG-CB 4.15Å; Y229-F248 HydrophobicContact CG-CD1 4.04Å; Y229-F248 HydrophobicContact CG-CD2 4.27Å; Y229-F248 HydrophobicContact CG-CE1 4.5Å; Y229-F248 AromaticContact CG-CG 3.92Å; Y229-F248 HydrophobicContact CG-CG 3.92Å; L236-F248 HydrophobicContact CD1-CB 4.3Å; L236-F248 HydrophobicContact CD2-CB 4.41Å; D237-F248 PolarHBondContact O-N 2.85Å; I238-F248 WeakPolarHBondContact CA-O 3.46Å; I238-F248 HydrophobicContact CG1-CB 4.18Å; I238-F248 HydrophobicContact CG2-CB 4.26Å; I238-F248 HydrophobicContact CG2-CD1 4.16Å; I238-F248 HydrophobicContact CG2-CG 4.43Å; F239-F248 PolarHBondContact N-O 2.83Å; F239-F248 VanDerWaalsContact N-O 3.09Å; F248-L250 HydrophobicContact CD1-CD2 4.21Å; F248-L250 HydrophobicContact CD2-CD2 4.31Å; F248-L250 HydrophobicContact CE1-CD2 4.01Å; F248-L250 HydrophobicContact CE2-CD2 4.12Å; F248-L250 HydrophobicContact CG-CD2 4.36Å; F248-L250 HydrophobicContact CZ-CD2 3.96Å; F248-L250 PolarHBondContact O-N 2.81Å; F248-L253 HydrophobicContact CE2-CD1 3.91Å; F248-L253 HydrophobicContact CE2-CD2 4.18Å; F248-L253 HydrophobicContact CE2-CG 4.36Å; F248-L253 HydrophobicContact CZ-CD1 4.01Å
249C96.4Very high90.4Very high19 Ų1969.4 Ų69.413%0.12838%0.384CS..EExtended strand (participates in β ladder)trans-84102.7178.6-173.30000111.9F239 G247 G251 Q252F239-C249 HydrophobicContact CD2-CB 4.33Å; F239-C249 HydrophobicContact CE2-CB 3.67Å; F239-C249 HydrophobicContact CZ-CB 3.87Å; F239-C249 CarbonylContact O-C 3.55Å; F239-C249 WeakPolarHBondContact O-CA 3.44Å; G247-C249 PolarHBondContact O-N 2.82Å; C249-G251 PolarHBondContact O-N 3.3Å; C249-Q252 HydrophobicContact CB-CB 4.49Å; C249-Q252 HydrophobicContact CB-CG 4.19Å; C249-Q252 PolarHBondContact O-N 3.5Å
250L96.8Very high90.3Very high0 Ų076.2 Ų76.20%042%0.416CS..G310 helixtrans-67.6-24.2177.8-54.9179.5000112.5Y218 I238 F239 F248 Q252 L253 R266 I269 F351 L371Y218-L250 HydrophobicContact CD1-CD2 4.24Å; Y218-L250 HydrophobicContact CD2-CD1 4.02Å; Y218-L250 HydrophobicContact CD2-CD2 3.89Å; Y218-L250 HydrophobicContact CE2-CD1 3.98Å; Y218-L250 HydrophobicContact CE2-CD2 4.47Å; Y218-L250 HydrophobicContact CG-CD2 3.75Å; I238-L250 HydrophobicContact CG2-CD1 3.97Å; I238-L250 HydrophobicContact CG2-CD2 4.09Å; I238-L250 HydrophobicContact CG2-CG 3.99Å; F239-L250 PolarHBondContact O-N 2.92Å; F248-L250 HydrophobicContact CD1-CD2 4.21Å; F248-L250 HydrophobicContact CD2-CD2 4.31Å; F248-L250 HydrophobicContact CE1-CD2 4.01Å; F248-L250 HydrophobicContact CE2-CD2 4.12Å; F248-L250 HydrophobicContact CG-CD2 4.36Å; F248-L250 HydrophobicContact CZ-CD2 3.96Å; F248-L250 PolarHBondContact O-N 2.81Å; L250-Q252 PolarHBondContact O-N 3.16Å; L250-L253 HydrophobicContact CD2-CD1 3.92Å; L250-L253 WeakPolarHBondContact O-CB 3.43Å; L250-L253 PolarHBondContact O-N 2.87Å; L250-R266 PolarHBondContact O-NH2 3.08Å; L250-I269 HydrophobicContact CD1-CD1 3.84Å; L250-I269 HydrophobicContact CD1-CG2 4.44Å; L250-F351 HydrophobicContact CD1-CE2 3.89Å; L250-F351 HydrophobicContact CD1-CZ 4.1Å; L250-L371 HydrophobicContact CD2-CD2 4.46Å
251G93.8Very high90.3Very high29 Ų2974.9 Ų74.930%0.29941%0.413SS..G310 helixtrans-67-23.3176.700000113.7C249C249-G251 PolarHBondContact O-N 3.3Å
252Q93.6Very high90.7Very high161 Ų16170.1 Ų70.175%0.75239%0.388SS*.G310 helixtrans-86.6-9.4177.2-70.1173.7-12.700113.2C249 L250C249-Q252 HydrophobicContact CB-CB 4.49Å; C249-Q252 HydrophobicContact CB-CG 4.19Å; C249-Q252 PolarHBondContact O-N 3.5Å; L250-Q252 PolarHBondContact O-N 3.16Å
253L93.9Very high91Very high32 Ų3274.5 Ų74.517%0.16841%0.408CS..SBendtrans-75.6129.9178.2-60.5179.7000110.4Y218 V225 F248 L250 S255 R266Y218-L253 HydrophobicContact CD1-CD1 3.5Å; Y218-L253 HydrophobicContact CE1-CD1 4.28Å; Y218-L253 HydrophobicContact CG-CD1 4.11Å; V225-L253 HydrophobicContact CG1-CB 4.01Å; V225-L253 HydrophobicContact CG1-CD1 4.45Å; F248-L253 HydrophobicContact CE2-CD1 3.91Å; F248-L253 HydrophobicContact CE2-CD2 4.18Å; F248-L253 HydrophobicContact CE2-CG 4.36Å; F248-L253 HydrophobicContact CZ-CD1 4.01Å; L250-L253 HydrophobicContact CD2-CD1 3.92Å; L250-L253 WeakPolarHBondContact O-CB 3.43Å; L250-L253 PolarHBondContact O-N 2.87Å; L253-S255 PolarHBondContact O-N 3.23Å; L253-R266 PolarHBondContact O-NH2 3.22Å
254C89.2Confident91.9Very high114 Ų11474.9 Ų74.977%0.7740%0.403SS*.  trans-67.6117.2171.5-65.40000109.1V225V225-C254 WeakPolarHBondContact CG1-O 3.22Å
255S88.3Confident92.8Very high38 Ų3867.7 Ų67.727%0.26637%0.369SS..  trans-107.3119.6174.2169.20000108.9E220 L253 N257E220-S255 WeakPolarHBondContact OE1-CB 3.5Å; E220-S255 PolarHBondContact OE1-OG 3.41Å; E220-S255 WeakPolarHBondContact OE2-CB 3.33Å; E220-S255 PolarHBondContact OE2-OG 2.95Å; L253-S255 PolarHBondContact O-N 3.23Å; S255-N257 PolarHBondContact OG-N 3.23Å
256D89.3Confident93.7Very high157 Ų15767 Ų6784%0.8436%0.358SS*.  trans-85.2-0.4170.3-62.2-39.6000111.9K258D256-K258 PolarHBondContact O-N 3.41Å
257N86.9Confident94.1Very high32 Ų3263.3 Ų63.317%0.17135%0.347CS..  trans-77.5113.5-175.9-163.6-34.2000110.8E220 E221 S255 S259 V262E220-N257 WeakPolarHBondContact OE2-CB 3.07Å; E221-N257 PolarHBondContact OE2-ND2 3.28Å; S255-N257 PolarHBondContact OG-N 3.23Å; N257-S259 VanDerWaalsContact C-N 3.27Å; N257-S259 PolarHBondContact O-N 3.28Å; N257-S259 WeakPolarHBondContact OD1-CB 3.32Å; N257-S259 PolarHBondContact OD1-N 3.05Å; N257-V262 HydrophobicContact CB-CG1 4.37Å
258K91.8Very high94.3Very high190 Ų19066.2 Ų66.283%0.82635%0.354SS*.  trans-82.50.5180-60.7-178.6-178.2177.20113.6D256 Q260D256-K258 PolarHBondContact O-N 3.41Å; K258-Q260 PolarHBondContact O-N 3.24Å
259S96.3Very high94.4Very high32 Ų3265.7 Ų65.722%0.22435%0.351CS..  trans-63.5118.2178.9178.30000110.8N257 L261 V262 Q263N257-S259 VanDerWaalsContact C-N 3.27Å; N257-S259 PolarHBondContact O-N 3.28Å; N257-S259 WeakPolarHBondContact OD1-CB 3.32Å; N257-S259 PolarHBondContact OD1-N 3.05Å; S259-L261 PolarHBondContact O-N 3.22Å; S259-V262 WeakPolarHBondContact O-CB 3.43Å; S259-V262 PolarHBondContact O-N 2.88Å; S259-V262 VanDerWaalsContact O-N 3.11Å; S259-Q263 PolarHBondContact O-N 3.47Å; S259-Q263 VanDerWaalsContact O-N 3.11Å
260Q96.4Very high94.3Very high152 Ų15265.8 Ų65.871%0.7136%0.356SS*.Hα-helixtrans-58.1-34.5176.1-67.9-178.4-12.100111.6K258 Q263 M264K258-Q260 PolarHBondContact O-N 3.24Å; Q260-Q263 PolarHBondContact O-N 2.94Å; Q260-M264 WeakPolarHBondContact O-CB 3.47Å; Q260-M264 VanDerWaalsContact O-CG 3.29Å; Q260-M264 WeakPolarHBondContact O-CG 3.36Å; Q260-M264 PolarHBondContact O-N 3.08Å
261L96.4Very high94.3Very high47 Ų4769 Ų6925%0.24637%0.368CS..Hα-helixtrans-67.2-39.4178.3-178.362000112S259 M264 V265 R361 P368S259-L261 PolarHBondContact O-N 3.22Å; L261-M264 HydrophobicContact CB-CE 4.48Å; L261-M264 HydrophobicContact CD1-CE 3.99Å; L261-M264 PolarHBondContact O-N 3.11Å; L261-V265 HydrophobicContact CD1-CG2 4.33Å; L261-V265 WeakPolarHBondContact O-CG2 3.39Å; L261-V265 PolarHBondContact O-N 3.29Å; L261-R361 VanDerWaalsContact CD2-NH2 3.27Å; L261-P368 HydrophobicContact CD1-CG 4.47Å; L261-P368 HydrophobicContact CD2-CG 3.63Å; L261-P368 HydrophobicContact CG-CB 4.23Å; L261-P368 HydrophobicContact CG-CG 3.63Å
262V97.3Very high94.5Very high0 Ų067.6 Ų67.60%035%0.354CS..Hα-helixtrans-62.5-50.2175.1173.30000109.9E220 E221 N257 S259 M264 V265 R266 P368E220-V262 HydrophobicContact CB-CG1 4.06Å; E220-V262 HydrophobicContact CG-CG1 3.8Å; E221-V262 HydrophobicContact CG-CG2 4.07Å; N257-V262 HydrophobicContact CB-CG1 4.37Å; S259-V262 WeakPolarHBondContact O-CB 3.43Å; S259-V262 PolarHBondContact O-N 2.88Å; S259-V262 VanDerWaalsContact O-N 3.11Å; V262-M264 VanDerWaalsContact C-N 3.32Å; V262-M264 PolarHBondContact O-N 2.96Å; V262-V265 PolarHBondContact O-N 3.42Å; V262-V265 VanDerWaalsContact O-N 3.08Å; V262-R266 HydrophobicContact CG1-CG 4.24Å; V262-R266 WeakPolarHBondContact O-CB 3.46Å; V262-R266 WeakPolarHBondContact O-CG 3.27Å; V262-R266 PolarHBondContact O-N 3.34Å; V262-P368 HydrophobicContact CB-CB 4.47Å; V262-P368 HydrophobicContact CG2-CB 3.88Å
263Q95.3Very high94.7Very high107 Ų10759.9 Ų59.950%0.532%0.318SS..Hα-helixtrans-58.3-43178-65.8176.2-2.600112.3S259 Q260 V265 R266 A267S259-Q263 PolarHBondContact O-N 3.47Å; S259-Q263 VanDerWaalsContact O-N 3.11Å; Q260-Q263 PolarHBondContact O-N 2.94Å; Q263-V265 PolarHBondContact O-N 3.47Å; Q263-R266 PolarHBondContact O-N 3.11Å; Q263-A267 PolarHBondContact O-N 2.82Å; Q263-A267 VanDerWaalsContact O-N 3.14Å
264M96.4Very high94.8Very high106 Ų10658.8 Ų58.852%0.52231%0.312SS..Hα-helixtrans-62.7-40.5174.8-77-167-6700113Q260 L261 V262 K268Q260-M264 WeakPolarHBondContact O-CB 3.47Å; Q260-M264 VanDerWaalsContact O-CG 3.29Å; Q260-M264 WeakPolarHBondContact O-CG 3.36Å; Q260-M264 PolarHBondContact O-N 3.08Å; L261-M264 HydrophobicContact CB-CE 4.48Å; L261-M264 HydrophobicContact CD1-CE 3.99Å; L261-M264 PolarHBondContact O-N 3.11Å; V262-M264 VanDerWaalsContact C-N 3.32Å; V262-M264 PolarHBondContact O-N 2.96Å; M264-K268 WeakPolarHBondContact O-CG 3.38Å; M264-K268 PolarHBondContact O-N 3.23Å
265V97.8Very high95.2Very high2 Ų253.5 Ų53.51%0.01228%0.276CS..Hα-helixtrans-72.4-41.6178.91710000111L261 V262 Q263 A267 K268 I269 F351 V352 K353 P368 C369L261-V265 HydrophobicContact CD1-CG2 4.33Å; L261-V265 WeakPolarHBondContact O-CG2 3.39Å; L261-V265 PolarHBondContact O-N 3.29Å; V262-V265 PolarHBondContact O-N 3.42Å; V262-V265 VanDerWaalsContact O-N 3.08Å; Q263-V265 PolarHBondContact O-N 3.47Å; V265-A267 VanDerWaalsContact C-N 3.34Å; V265-A267 PolarHBondContact O-N 3.14Å; V265-K268 CarbonylContact O-C 3.43Å; V265-K268 WeakPolarHBondContact O-CA 3.48Å; V265-K268 WeakPolarHBondContact O-CB 3.38Å; V265-K268 PolarHBondContact O-N 2.85Å; V265-I269 PolarHBondContact O-N 3.07Å; V265-F351 HydrophobicContact CG1-CB 4.28Å; V265-V352 HydrophobicContact CG1-CB 4.08Å; V265-V352 HydrophobicContact CG1-CG2 3.99Å; V265-V352 HydrophobicContact CG2-CB 4.35Å; V265-K353 HydrophobicContact CG2-CG 4.16Å; V265-P368 HydrophobicContact CB-CB 4.04Å; V265-P368 HydrophobicContact CG1-CB 4.41Å; V265-P368 HydrophobicContact CG2-CB 3.94Å; V265-P368 HydrophobicContact CG2-CG 3.99Å; V265-C369 HydrophobicContact CG1-CB 3.73Å
266R96.4Very high95.7Very high15 Ų1552.1 Ų52.16%0.05727%0.266CS..Hα-helixtrans-50.7-52.5173.6-76.4177.268.6734111.4Y218 E220 Y240 L250 L253 V262 Q263 K268 I269 C369Y218-R266 VanDerWaalsContact CE1-NH1 3.32Å; Y218-R266 PolarHBondContact OH-NH1 3.39Å; Y218-R266 VanDerWaalsContact OH-NH1 3.15Å; E220-R266 VanDerWaalsContact OE1-CD 3.28Å; E220-R266 WeakPolarHBondContact OE1-CD 3.41Å; E220-R266 IonicContact OE1-CZ 2.73Å; E220-R266 IonicContact OE1-NE 3.76Å; E220-R266 IonicContact OE1-NH1 3.56Å; E220-R266 PolarHBondContact OE1-NH1 3.45Å; Y240-R266 HydrophobicContact CD2-CB 4.11Å; Y240-R266 WeakPolarHBondContact CD2-O 3.39Å; Y240-R266 HydrophobicContact CE2-CB 3.7Å; Y240-R266 HydrophobicContact CE2-CG 4.47Å; Y240-R266 VanDerWaalsContact CG-O 3.25Å; L250-R266 PolarHBondContact O-NH2 3.08Å; L253-R266 PolarHBondContact O-NH2 3.22Å; V262-R266 HydrophobicContact CG1-CG 4.24Å; V262-R266 WeakPolarHBondContact O-CB 3.46Å; V262-R266 WeakPolarHBondContact O-CG 3.27Å; V262-R266 PolarHBondContact O-N 3.34Å; Q263-R266 PolarHBondContact O-N 3.11Å; R266-K268 PolarHBondContact O-N 3.23Å; R266-K268 VanDerWaalsContact O-N 3.17Å; R266-I269 WeakPolarHBondContact O-CB 3.16Å; R266-I269 PolarHBondContact O-N 3.4Å; R266-I269 VanDerWaalsContact O-N 3.1Å; R266-C369 VanDerWaalsContact CG-SG 3.6Å
267A94.6Very high96Very high65 Ų6548.7 Ų48.754%0.53724%0.242SC..Hα-helixtrans-61.2-25.6178.100000113.6Q263 V265Q263-A267 PolarHBondContact O-N 2.82Å; Q263-A267 VanDerWaalsContact O-N 3.14Å; V265-A267 VanDerWaalsContact C-N 3.34Å; V265-A267 PolarHBondContact O-N 3.14Å
268K97.4Very high96.4Very high81 Ų8148 Ų4835%0.35224%0.238SC..Hα-helixtrans-85.7-12.3178.6-75.5-178.6176.8-178.10114.2M264 V265 R266 G270 S288 Y290 V352M264-K268 WeakPolarHBondContact O-CG 3.38Å; M264-K268 PolarHBondContact O-N 3.23Å; V265-K268 CarbonylContact O-C 3.43Å; V265-K268 WeakPolarHBondContact O-CA 3.48Å; V265-K268 WeakPolarHBondContact O-CB 3.38Å; V265-K268 PolarHBondContact O-N 2.85Å; R266-K268 PolarHBondContact O-N 3.23Å; R266-K268 VanDerWaalsContact O-N 3.17Å; K268-G270 VanDerWaalsContact C-N 3.27Å; K268-G270 PolarHBondContact O-N 3.32Å; K268-S288 PolarHBondContact O-OG 2.97Å; K268-Y290 HydrophobicContact CB-CD2 3.71Å; K268-Y290 HydrophobicContact CB-CE2 3.61Å; K268-Y290 HydrophobicContact CB-CG 4.45Å; K268-Y290 HydrophobicContact CD-CD2 4.42Å; K268-Y290 HydrophobicContact CD-CE1 4.09Å; K268-Y290 HydrophobicContact CD-CE2 3.91Å; K268-Y290 HydrophobicContact CG-CD2 4.13Å; K268-Y290 HydrophobicContact CG-CE2 3.53Å; K268-Y290 WeakPolarHBondContact O-CD2 3.32Å; K268-V352 HydrophobicContact CB-CG2 3.76Å; K268-V352 HydrophobicContact CD-CG1 4.27Å
269I97.8Very high96.5Very high0 Ų045.3 Ų45.30%024%0.239CC..Hα-helixtrans-58.9-44.5177-64.6174.5000109.7L250 V265 R266 Y271 G272 S288 F351 C369L250-I269 HydrophobicContact CD1-CD1 3.84Å; L250-I269 HydrophobicContact CD1-CG2 4.44Å; V265-I269 PolarHBondContact O-N 3.07Å; R266-I269 WeakPolarHBondContact O-CB 3.16Å; R266-I269 PolarHBondContact O-N 3.4Å; R266-I269 VanDerWaalsContact O-N 3.1Å; I269-Y271 PolarHBondContact O-N 3.01Å; I269-G272 WeakPolarHBondContact O-CA 3.49Å; I269-G272 PolarHBondContact O-N 2.97Å; I269-S288 VanDerWaalsContact O-CB 3.3Å; I269-S288 WeakPolarHBondContact O-CB 3.38Å; I269-S288 PolarHBondContact O-OG 3.42Å; I269-F351 HydrophobicContact CD1-CB 4.46Å; I269-F351 HydrophobicContact CD1-CD2 3.81Å; I269-F351 HydrophobicContact CD1-CE2 4.1Å; I269-F351 HydrophobicContact CD1-CG 4.06Å; I269-F351 HydrophobicContact CG1-CB 3.93Å; I269-F351 HydrophobicContact CG1-CD1 4.06Å; I269-F351 HydrophobicContact CG1-CD2 4.07Å; I269-F351 HydrophobicContact CG1-CG 3.77Å; I269-F351 HydrophobicContact CG2-CD1 4.06Å; I269-F351 HydrophobicContact CG2-CE1 3.87Å; I269-F351 HydrophobicContact CG2-CZ 4.2Å; I269-C369 HydrophobicContact CD1-CB 4.3Å
270G95.8Very high96.3Very high22 Ų2247.2 Ų47.223%0.22725%0.247CC..THydrogen-bonded Turntrans57.7-128.1178.100000111.7Y240 D241 K268 G272Y240-G270 PolarHBondContact N-O 2.84Å; D241-G270 PolarHBondContact N-O 2.89Å; D241-G270 CarbonylContact O-C 3.55Å; K268-G270 VanDerWaalsContact C-N 3.27Å; K268-G270 PolarHBondContact O-N 3.32Å; G270-G272 PolarHBondContact O-N 3.23Å; G270-G272 VanDerWaalsContact O-N 3.11Å
271Y96.1Very high96.2Very high66 Ų6640 Ų4026%0.25921%0.213SC..THydrogen-bonded Turntrans-66.1-8.1175.7-56-22.9000114G85 D241 L242 I269 I273G85-Y271 VanDerWaalsContact N-CE2 3.34Å; D241-Y271 VanDerWaalsContact O-CD1 3.28Å; D241-Y271 WeakPolarHBondContact O-CD1 3.4Å; L242-Y271 HydrophobicContact CD1-CD1 3.53Å; L242-Y271 HydrophobicContact CD1-CE1 4.06Å; L242-Y271 HydrophobicContact CD1-CG 3.96Å; I269-Y271 PolarHBondContact O-N 3.01Å; Y271-I273 PolarHBondContact O-N 2.89Å
272G97.3Very high96.3Very high0 Ų037.7 Ų37.70%020%0.201CC..  trans60.9-127170.600000114I238 I269 G270 R287 S288I238-G272 CarbonylContact O-C 3.52Å; I238-G272 VanDerWaalsContact O-CA 3.3Å; I238-G272 WeakPolarHBondContact O-CA 3.31Å; I269-G272 WeakPolarHBondContact O-CA 3.49Å; I269-G272 PolarHBondContact O-N 2.97Å; G270-G272 PolarHBondContact O-N 3.23Å; G270-G272 VanDerWaalsContact O-N 3.11Å; G272-R287 CarbonylContact O-C 3.48Å; G272-R287 WeakPolarHBondContact O-CA 3Å; G272-R287 WeakPolarHBondContact O-CB 3.32Å; G272-R287 PolarHBondContact O-N 2.73Å; G272-S288 PolarHBondContact O-N 2.83Å
273I97.9Very high96.3Very high0 Ų039.3 Ų39.30%021%0.207CC..EExtended strand (participates in β ladder)trans-131.9159.7-17663.7172.8000111.5I238 Y271 V284 Y285 I292 I349 F351 L371I238-I273 HydrophobicContact CB-CG1 3.98Å; I238-I273 HydrophobicContact CD1-CD1 4.21Å; I238-I273 HydrophobicContact CD1-CG1 4.32Å; I238-I273 HydrophobicContact CG1-CG1 4.47Å; I238-I273 PolarHBondContact N-O 2.9Å; I238-I273 PolarHBondContact O-N 2.96Å; Y271-I273 PolarHBondContact O-N 2.89Å; I273-V284 HydrophobicContact CB-CG1 4.18Å; I273-V284 HydrophobicContact CD1-CG1 4.1Å; I273-V284 HydrophobicContact CG2-CG1 4.24Å; I273-Y285 CarbonylContact C-O 3.35Å; I273-Y285 VanDerWaalsContact CA-O 3.29Å; I273-Y285 WeakPolarHBondContact CA-O 3.36Å; I273-I292 HydrophobicContact CG2-CD1 3.57Å; I273-I292 HydrophobicContact CG2-CG2 4.06Å; I273-I349 HydrophobicContact CD1-CD1 3.84Å; I273-I349 HydrophobicContact CD1-CG2 4.47Å; I273-F351 HydrophobicContact CG2-CE1 4.13Å; I273-L371 HydrophobicContact CD1-CD1 3.84Å
274Q97Very high96.5Very high9 Ų934.2 Ų34.24%0.04218%0.183CC..EExtended strand (participates in β ladder)trans-115.5123.9164.4179.3173.482.900108.9S235 L236 D237 V284 Y285S235-Q274 WeakPolarHBondContact OG-CG 3.18Å; L236-Q274 CarbonylContact O-C 3.45Å; L236-Q274 WeakPolarHBondContact O-CA 3.4Å; D237-Q274 WeakPolarHBondContact OD1-CB 3.47Å; D237-Q274 WeakPolarHBondContact OD1-CG 3.47Å; D237-Q274 PolarHBondContact OD1-NE2 3.02Å; Q274-V284 WeakPolarHBondContact O-CA 3.4Å; Q274-Y285 HydrophobicContact CB-CD1 4.32Å; Q274-Y285 PolarHBondContact N-O 3.04Å; Q274-Y285 PolarHBondContact O-N 3.47Å
275L97.9Very high96.5Very high3 Ų329.9 Ų29.92%0.01616%0.161CC..EExtended strand (participates in β ladder)trans-95.5131.3172.5-169.373.3000108.3W213 S235 L236 V282 W283 V284 V373W213-L275 HydrophobicContact CH2-CD2 3.47Å; W213-L275 VanDerWaalsContact CH2-CD2 3.47Å; W213-L275 HydrophobicContact CH2-CG 3.78Å; W213-L275 HydrophobicContact CZ2-CD2 4.28Å; W213-L275 HydrophobicContact CZ3-CD2 4.13Å; S235-L275 CarbonylContact C-O 3.59Å; S235-L275 VanDerWaalsContact CA-O 3.24Å; S235-L275 WeakPolarHBondContact CA-O 3.48Å; S235-L275 PolarHBondContact OG-O 3.03Å; L236-L275 PolarHBondContact N-O 2.91Å; L236-L275 PolarHBondContact O-N 3.39Å; L275-V282 HydrophobicContact CD1-CG1 3.5Å; L275-V282 HydrophobicContact CD2-CG1 4.42Å; L275-V282 HydrophobicContact CG-CG1 3.82Å; L275-W283 WeakPolarHBondContact CA-O 3.35Å; L275-V284 HydrophobicContact CD1-CG2 3.59Å; L275-V373 HydrophobicContact CD2-CG1 3.94Å
276T97.4Very high96.6Very high8 Ų829.8 Ų29.85%0.04916%0.161CC..EExtended strand (participates in β ladder)trans-136128.6179.4-55.70000110.8S131 P234 S235 E278 V282 W283S131-T276 WeakPolarHBondContact OG-CG2 3.29Å; P234-T276 CarbonylContact O-C 3.42Å; P234-T276 WeakPolarHBondContact O-CA 3.5Å; S235-T276 PolarHBondContact OG-OG1 2.87Å; T276-E278 HydrophobicContact CG2-CG 3.72Å; T276-V282 CarbonylContact O-C 3.55Å; T276-V282 WeakPolarHBondContact O-CA 3.36Å; T276-W283 PolarHBondContact N-O 3.35Å; T276-W283 PolarHBondContact O-N 3.47Å
277R96.2Very high96.5Very high86 Ų8630.6 Ų30.633%0.32516%0.164SC..EExtended strand (participates in β ladder)trans-84.8111.9168.3-177.3178.6174.7-167-0.9108.9W213 P234W213-R277 HydrophobicContact CD2-CB 4.06Å; W213-R277 HydrophobicContact CD2-CG 4.45Å; W213-R277 HydrophobicContact CE3-CB 4.08Å; W213-R277 HydrophobicContact CE3-CG 4.38Å; W213-R277 HydrophobicContact CH2-CB 4.02Å; W213-R277 HydrophobicContact CZ2-CB 4.04Å; W213-R277 HydrophobicContact CZ3-CB 4.04Å; P234-R277 PolarHBondContact O-N 2.85Å
278E95Very high96.6Very high18 Ų1827.8 Ų27.88%0.08414%0.14CC..EExtended strand (participates in β ladder)trans-110.5167.5177.5-60.7-172.1-167.100109.7K128 Y136 T276 D280 G281 W283K128-E278 WeakPolarHBondContact CE-OE2 3.31Å; K128-E278 IonicContact NZ-OE1 3.37Å; K128-E278 PolarHBondContact NZ-OE1 2.73Å; K128-E278 IonicContact NZ-OE2 3.15Å; K128-E278 PolarHBondContact NZ-OE2 3Å; Y136-E278 PolarHBondContact OH-OE2 3.17Å; T276-E278 HydrophobicContact CG2-CG 3.72Å; E278-D280 PolarHBondContact O-N 3.48Å; E278-G281 CarbonylContact C-O 3.5Å; E278-G281 WeakPolarHBondContact CA-O 3.42Å; E278-G281 PolarHBondContact N-O 2.93Å; E278-G281 PolarHBondContact O-N 2.92Å; E278-G281 VanDerWaalsContact O-O 3.07Å; E278-W283 VanDerWaalsContact CD-CD1 3.47Å
279P93.2Very high96.5Very high133 Ų13327.7 Ų27.786%0.86415%0.149SC*.THydrogen-bonded Turntrans-58.3-32.6-178.3-27.236.4000114
280D93.1Very high96.5Very high71 Ų7131 Ų3138%0.3816%0.162SC..THydrogen-bonded Turntrans-87.5-18.3-178.173.3-39.8000113E278 W283 K319E278-D280 PolarHBondContact O-N 3.48Å; D280-W283 PolarHBondContact OD1-NE1 3.07Å; D280-W283 PolarHBondContact OD2-NE1 3.48Å; D280-K319 VanDerWaalsContact C-CE 3.43Å; D280-K319 WeakPolarHBondContact O-CE 3.28Å; D280-K319 PolarHBondContact O-NZ 2.81Å; D280-K319 WeakPolarHBondContact OD2-CD 3.34Å; D280-K319 VanDerWaalsContact OD2-CE 3.31Å; D280-K319 WeakPolarHBondContact OD2-CE 3.26Å; D280-K319 IonicContact OD2-NZ 2.71Å; D280-K319 PolarHBondContact OD2-NZ 3Å
281G95.1Very high96.6Very high0 Ų031.2 Ų31.20%016%0.159CC..EExtended strand (participates in β ladder)trans160.5-162.3-177.300000113.4E278 F321E278-G281 CarbonylContact C-O 3.5Å; E278-G281 WeakPolarHBondContact CA-O 3.42Å; E278-G281 PolarHBondContact N-O 2.93Å; E278-G281 PolarHBondContact O-N 2.92Å; E278-G281 VanDerWaalsContact O-O 3.07Å; G281-F321 CarbonylContact C-O 3.46Å; G281-F321 WeakPolarHBondContact CA-O 3.43Å
282V97.2Very high96.7Very high0 Ų028.1 Ų28.10%015%0.147CC..EExtended strand (participates in β ladder)trans-106.1125.6178.6-169.70000110W213 L275 T276 K319 A320 F321 Y323 F375W213-V282 HydrophobicContact CE3-CG2 4.48Å; W213-V282 HydrophobicContact CH2-CG1 3.94Å; W213-V282 HydrophobicContact CZ3-CG1 3.77Å; W213-V282 HydrophobicContact CZ3-CG2 3.85Å; L275-V282 HydrophobicContact CD1-CG1 3.5Å; L275-V282 HydrophobicContact CD2-CG1 4.42Å; L275-V282 HydrophobicContact CG-CG1 3.82Å; T276-V282 CarbonylContact O-C 3.55Å; T276-V282 WeakPolarHBondContact O-CA 3.36Å; V282-K319 CarbonylContact O-C 3.59Å; V282-A320 PolarHBondContact O-N 3.01Å; V282-F321 HydrophobicContact CB-CB 3.86Å; V282-F321 HydrophobicContact CG2-CB 4.12Å; V282-F321 HydrophobicContact CG2-CD1 4.18Å; V282-F321 PolarHBondContact N-O 3.44Å; V282-F321 PolarHBondContact O-N 3.14Å; V282-F321 VanDerWaalsContact O-N 3.1Å; V282-Y323 HydrophobicContact CG2-CE2 3.89Å; V282-F375 HydrophobicContact CB-CE1 4.13Å; V282-F375 HydrophobicContact CB-CZ 4.24Å; V282-F375 HydrophobicContact CG1-CE1 3.96Å; V282-F375 HydrophobicContact CG1-CZ 4.22Å; V282-F375 HydrophobicContact CG2-CD1 4.11Å; V282-F375 HydrophobicContact CG2-CE1 3.74Å; V282-F375 HydrophobicContact CG2-CZ 4.21Å
283W97.9Very high96.7Very high34 Ų3428.6 Ų28.613%0.12915%0.149CC..EExtended strand (participates in β ladder)trans-105.1142.8-179.1-71.181.5000111.4K128 L154 L275 T276 E278 D280 I318 K319K128-W283 HydrophobicContact CD-CD2 3.99Å; K128-W283 HydrophobicContact CD-CE3 3.64Å; K128-W283 HydrophobicContact CD-CH2 3.79Å; K128-W283 HydrophobicContact CD-CZ2 4.12Å; K128-W283 HydrophobicContact CD-CZ3 3.54Å; L154-W283 HydrophobicContact CD2-CH2 3.81Å; L154-W283 HydrophobicContact CD2-CZ3 3.59Å; L275-W283 WeakPolarHBondContact CA-O 3.35Å; T276-W283 PolarHBondContact N-O 3.35Å; T276-W283 PolarHBondContact O-N 3.47Å; E278-W283 VanDerWaalsContact CD-CD1 3.47Å; D280-W283 PolarHBondContact OD1-NE1 3.07Å; D280-W283 PolarHBondContact OD2-NE1 3.48Å; W283-I318 WeakPolarHBondContact CA-O 3.36Å; W283-K319 HydrophobicContact CD2-CB 3.93Å; W283-K319 HydrophobicContact CD2-CG 4.35Å; W283-K319 HydrophobicContact CE3-CB 4.07Å; W283-K319 VanDerWaalsContact CE3-N 3.33Å; W283-K319 HydrophobicContact CH2-CB 3.88Å; W283-K319 HydrophobicContact CZ2-CB 3.73Å; W283-K319 HydrophobicContact CZ2-CD 4.27Å; W283-K319 HydrophobicContact CZ2-CG 4.12Å; W283-K319 HydrophobicContact CZ3-CB 4.04Å
284V98.6Very high96.7Very high0 Ų028.6 Ų28.60%015%0.149CC..EExtended strand (participates in β ladder)trans-115.9121.3171.4176.60000108.4I273 Q274 L275 I292 I294 S317 I318 A320 I349I273-V284 HydrophobicContact CB-CG1 4.18Å; I273-V284 HydrophobicContact CD1-CG1 4.1Å; I273-V284 HydrophobicContact CG2-CG1 4.24Å; Q274-V284 WeakPolarHBondContact O-CA 3.4Å; L275-V284 HydrophobicContact CD1-CG2 3.59Å; V284-I292 HydrophobicContact CG1-CD1 3.68Å; V284-I294 HydrophobicContact CB-CD1 3.91Å; V284-I294 HydrophobicContact CG1-CD1 3.8Å; V284-I294 HydrophobicContact CG2-CD1 4.14Å; V284-S317 WeakPolarHBondContact O-CA 3.47Å; V284-I318 HydrophobicContact CB-CG2 4.3Å; V284-I318 PolarHBondContact N-O 3.37Å; V284-I318 PolarHBondContact O-N 2.73Å; V284-A320 HydrophobicContact CB-CB 4.36Å; V284-A320 HydrophobicContact CG2-CB 3.63Å; V284-I349 HydrophobicContact CG1-CD1 4.42Å; V284-I349 HydrophobicContact CG2-CD1 3.92Å
285Y98Very high96.5Very high15 Ų1531.1 Ų31.16%0.05916%0.16CC..EExtended strand (participates in β ladder)trans-106.2120.7173.6171.1-132.7000110.3R117 L130 I273 Q274 R287 S317R117-Y285 PolarHBondContact NH1-OH 3.06Å; R117-Y285 PolarHBondContact NH2-OH 3.16Å; L130-Y285 HydrophobicContact CD1-CD1 3.81Å; L130-Y285 HydrophobicContact CD1-CE1 3.46Å; L130-Y285 VanDerWaalsContact CD1-CE1 3.46Å; L130-Y285 HydrophobicContact CD1-CE2 4.35Å; L130-Y285 HydrophobicContact CD1-CG 4.4Å; L130-Y285 HydrophobicContact CD2-CD1 3.93Å; L130-Y285 HydrophobicContact CD2-CD2 4.17Å; L130-Y285 HydrophobicContact CD2-CE1 4.38Å; L130-Y285 HydrophobicContact CD2-CG 3.82Å; I273-Y285 CarbonylContact C-O 3.35Å; I273-Y285 VanDerWaalsContact CA-O 3.29Å; I273-Y285 WeakPolarHBondContact CA-O 3.36Å; Q274-Y285 HydrophobicContact CB-CD1 4.32Å; Q274-Y285 PolarHBondContact N-O 3.04Å; Q274-Y285 PolarHBondContact O-N 3.47Å; Y285-R287 HydrophobicContact CD1-CG 3.56Å; Y285-R287 HydrophobicContact CE1-CG 3.45Å; Y285-R287 VanDerWaalsContact CE1-CG 3.45Å; Y285-R287 HydrophobicContact CG-CG 4.4Å; Y285-R287 PolarHBondContact O-N 2.84Å; Y285-S317 WeakPolarHBondContact CB-OG 3.16Å; Y285-S317 WeakPolarHBondContact CD2-OG 3.44Å
286N98Very high96.2Very high0 Ų031 Ų310%016%0.16CC..EExtended strand (participates in β ladder)trans-81.8110.6179-173.63.1000111.3S288 Y290 I292 V312 F313 G315 F316N286-S288 VanDerWaalsContact OD1-CB 3.24Å; N286-S288 WeakPolarHBondContact OD1-CB 3.5Å; N286-S288 PolarHBondContact OD1-N 2.8Å; N286-Y290 PolarHBondContact ND2-O 2.74Å; N286-I292 HydrophobicContact CB-CD1 3.97Å; N286-I292 HydrophobicContact CB-CG1 4.3Å; N286-V312 HydrophobicContact CB-CG1 4.17Å; N286-V312 PolarHBondContact ND2-O 3.15Å; N286-F313 PolarHBondContact ND2-O 2.84Å; N286-G315 WeakPolarHBondContact O-CA 3.08Å; N286-G315 PolarHBondContact O-N 3.09Å; N286-F316 PolarHBondContact N-O 3.16Å
287R96.1Very high95.8Very high32 Ų3231.5 Ų31.512%0.12117%0.165CC..  trans-97.5-11.3177.1-62.9175.165.5-172.8-3.8112.7G84 D237 G272 Y285G84-R287 PolarHBondContact O-NH2 2.79Å; D237-R287 IonicContact OD1-NH1 2.82Å; D237-R287 PolarHBondContact OD1-NH1 3.27Å; D237-R287 IonicContact OD2-NH1 2.81Å; D237-R287 PolarHBondContact OD2-NH1 3.41Å; D237-R287 VanDerWaalsContact OD2-NH1 3.15Å; G272-R287 CarbonylContact O-C 3.48Å; G272-R287 WeakPolarHBondContact O-CA 3Å; G272-R287 WeakPolarHBondContact O-CB 3.32Å; G272-R287 PolarHBondContact O-N 2.73Å; Y285-R287 HydrophobicContact CD1-CG 3.56Å; Y285-R287 HydrophobicContact CE1-CG 3.45Å; Y285-R287 VanDerWaalsContact CE1-CG 3.45Å; Y285-R287 HydrophobicContact CG-CG 4.4Å; Y285-R287 PolarHBondContact O-N 2.84Å
288S95.6Very high95.5Very high5 Ų527.7 Ų27.74%0.03515%0.151CC..SBendtrans-67.3160178-1730000111.4K268 I269 G272 N286 Y290 P314K268-S288 PolarHBondContact O-OG 2.97Å; I269-S288 VanDerWaalsContact O-CB 3.3Å; I269-S288 WeakPolarHBondContact O-CB 3.38Å; I269-S288 PolarHBondContact O-OG 3.42Å; G272-S288 PolarHBondContact O-N 2.83Å; N286-S288 VanDerWaalsContact OD1-CB 3.24Å; N286-S288 WeakPolarHBondContact OD1-CB 3.5Å; N286-S288 PolarHBondContact OD1-N 2.8Å; S288-Y290 PolarHBondContact OG-N 2.63Å; S288-P314 WeakPolarHBondContact O-CB 3.3Å; S288-P314 WeakPolarHBondContact O-CG 3.3Å
289C95.3Very high95.1Very high79 Ų7927.5 Ų27.553%0.53415%0.15SC..SBendtrans-79.8-3.3167.8-59.10000112.9P314C289-P314 WeakPolarHBondContact O-CG 3.34Å
290Y97.3Very high94.5Very high69 Ų6921.8 Ų21.827%0.27111%0.113SC..SBendtrans-119.8155179.7-62.6-83.2000112.1K268 N286 S288 V352K268-Y290 HydrophobicContact CB-CD2 3.71Å; K268-Y290 HydrophobicContact CB-CE2 3.61Å; K268-Y290 HydrophobicContact CB-CG 4.45Å; K268-Y290 HydrophobicContact CD-CD2 4.42Å; K268-Y290 HydrophobicContact CD-CE1 4.09Å; K268-Y290 HydrophobicContact CD-CE2 3.91Å; K268-Y290 HydrophobicContact CG-CD2 4.13Å; K268-Y290 HydrophobicContact CG-CE2 3.53Å; K268-Y290 WeakPolarHBondContact O-CD2 3.32Å; N286-Y290 PolarHBondContact ND2-O 2.74Å; S288-Y290 PolarHBondContact OG-N 2.63Å; Y290-V352 HydrophobicContact CG-CG2 4.26Å
291P97.9Very high93.5Very high28 Ų2823 Ų2318%0.18212%0.119CC..  trans-62.1148.6173.2-21.132.9000112.4F293 K311 V312 F313 V352P291-F293 HydrophobicContact CB-CE2 4.23Å; P291-F293 HydrophobicContact CB-CZ 4.3Å; P291-K311 HydrophobicContact CB-CD 4.46Å; P291-K311 HydrophobicContact CB-CG 4.01Å; P291-V312 WeakPolarHBondContact CA-O 3.36Å; P291-F313 HydrophobicContact CG-CD1 4.09Å; P291-F313 HydrophobicContact CG-CE1 4.34Å; P291-V352 WeakPolarHBondContact O-CA 3.46Å; P291-V352 PolarHBondContact O-N 3.08Å
292I98.6Very high92.1Very high1 Ų127.6 Ų27.61%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-110.5162.1164.665-179.8000109I273 V284 N286 I294 V312 I349 S350 F351I273-I292 HydrophobicContact CG2-CD1 3.57Å; I273-I292 HydrophobicContact CG2-CG2 4.06Å; V284-I292 HydrophobicContact CG1-CD1 3.68Å; N286-I292 HydrophobicContact CB-CD1 3.97Å; N286-I292 HydrophobicContact CB-CG1 4.3Å; I292-I294 HydrophobicContact CD1-CD1 3.91Å; I292-I294 HydrophobicContact CD1-CG1 4.35Å; I292-I294 HydrophobicContact CG1-CD1 4.4Å; I292-I294 HydrophobicContact CG1-CG1 4.39Å; I292-V312 HydrophobicContact CD1-CB 4.24Å; I292-V312 HydrophobicContact CG1-CB 3.71Å; I292-V312 HydrophobicContact CG1-CG1 4.42Å; I292-V312 HydrophobicContact CG1-CG2 4.36Å; I292-V312 PolarHBondContact N-O 2.83Å; I292-V312 PolarHBondContact O-N 3.32Å; I292-I349 HydrophobicContact CB-CG2 4.28Å; I292-I349 HydrophobicContact CD1-CG2 4.34Å; I292-S350 CarbonylContact C-O 3.54Å; I292-S350 WeakPolarHBondContact CA-O 3.17Å; I292-F351 HydrophobicContact CG2-CD1 3.87Å; I292-F351 HydrophobicContact CG2-CE1 4.36Å
293F97.8Very high90.6Very high9 Ų934.3 Ų34.34%0.03919%0.185CC..EExtended strand (participates in β ladder)trans-129.1127.5-177-60.9-95.3000108.3P291 V309 H310 K311 I349 S350 V352 K353 G354 W355 Y359P291-F293 HydrophobicContact CB-CE2 4.23Å; P291-F293 HydrophobicContact CB-CZ 4.3Å; F293-V309 HydrophobicContact CB-CG1 3.76Å; F293-V309 HydrophobicContact CD1-CG1 4.39Å; F293-H310 CarbonylContact C-O 3.34Å; F293-H310 WeakPolarHBondContact CA-O 3.22Å; F293-K311 HydrophobicContact CD1-CB 3.96Å; F293-K311 HydrophobicContact CD1-CG 4.05Å; F293-K311 HydrophobicContact CE1-CB 3.88Å; F293-K311 HydrophobicContact CE1-CD 3.76Å; F293-K311 HydrophobicContact CE1-CG 3.57Å; F293-K311 HydrophobicContact CZ-CD 4.13Å; F293-K311 HydrophobicContact CZ-CG 4.04Å; F293-I349 CarbonylContact O-C 3.6Å; F293-I349 VanDerWaalsContact O-CA 3.3Å; F293-I349 WeakPolarHBondContact O-CA 3.35Å; F293-S350 PolarHBondContact N-O 3.25Å; F293-S350 PolarHBondContact O-N 3.39Å; F293-V352 WeakPolarHBondContact CE2-O 3.3Å; F293-K353 WeakPolarHBondContact CD2-O 3.46Å; F293-K353 VanDerWaalsContact CE2-C 3.48Å; F293-G354 VanDerWaalsContact CD1-CA 3.41Å; F293-G354 VanDerWaalsContact CE2-N 3.3Å; F293-W355 HydrophobicContact CB-CE3 4.02Å; F293-W355 HydrophobicContact CB-CZ3 3.58Å; F293-W355 WeakPolarHBondContact O-CH2 3.4Å; F293-W355 VanDerWaalsContact O-CZ3 3.28Å; F293-W355 WeakPolarHBondContact O-CZ3 3.26Å; F293-Y359 HydrophobicContact CD1-CE1 4.15Å; F293-Y359 AromaticContact CD1-CZ 3.82Å; F293-Y359 AromaticContact CE1-CE1 3.56Å; F293-Y359 HydrophobicContact CE1-CE1 3.56Å; F293-Y359 AromaticContact CE1-CZ 3.6Å; F293-Y359 VanDerWaalsContact CE1-OH 3.27Å; F293-Y359 WeakPolarHBondContact CE1-OH 3.4Å; F293-Y359 HydrophobicContact CZ-CE1 4.34Å
294I96.7Very high89.1Confident0 Ų035 Ų350%020%0.195CC..EExtended strand (participates in β ladder)trans-125.4135.2-169.6-57.8-171000109.9V284 I292 L299 V309 H310 V312 I318 A320 V347 Q348 I349V284-I294 HydrophobicContact CB-CD1 3.91Å; V284-I294 HydrophobicContact CG1-CD1 3.8Å; V284-I294 HydrophobicContact CG2-CD1 4.14Å; I292-I294 HydrophobicContact CD1-CD1 3.91Å; I292-I294 HydrophobicContact CD1-CG1 4.35Å; I292-I294 HydrophobicContact CG1-CD1 4.4Å; I292-I294 HydrophobicContact CG1-CG1 4.39Å; I294-L299 HydrophobicContact CG2-CD1 3.89Å; I294-V309 CarbonylContact O-C 3.41Å; I294-V309 WeakPolarHBondContact O-CA 3.29Å; I294-H310 PolarHBondContact N-O 3.16Å; I294-H310 PolarHBondContact O-N 3.46Å; I294-V312 HydrophobicContact CD1-CG2 4.02Å; I294-V312 HydrophobicContact CG1-CG2 4.29Å; I294-I318 HydrophobicContact CD1-CG2 3.74Å; I294-A320 HydrophobicContact CG2-CB 4.24Å; I294-V347 HydrophobicContact CG2-CG1 3.9Å; I294-Q348 CarbonylContact C-O 3.49Å; I294-Q348 WeakPolarHBondContact CA-O 3.44Å; I294-I349 HydrophobicContact CD1-CD1 4.39Å; I294-I349 HydrophobicContact CD1-CG1 4.36Å; I294-I349 HydrophobicContact CG1-CG1 4.13Å; I294-I349 HydrophobicContact CG1-CG2 4.09Å; I294-I349 HydrophobicContact CG2-CG1 4.44Å
295K93.1Very high87.5Confident62 Ų6246.6 Ų46.627%0.2724%0.239SC..EExtended strand (participates in β ladder)trans-126.8131.4170.9-172.7-177.5-179.7-173.10109.1L307 V309 Q348 W355K295-L307 HydrophobicContact CD-CB 4.45Å; K295-L307 HydrophobicContact CG-CB 4.27Å; K295-V309 HydrophobicContact CB-CG2 4.28Å; K295-V309 HydrophobicContact CD-CG2 4.36Å; K295-V309 HydrophobicContact CG-CG2 4.5Å; K295-Q348 HydrophobicContact CB-CB 4.34Å; K295-Q348 PolarHBondContact N-O 2.92Å; K295-Q348 PolarHBondContact O-N 2.83Å; K295-W355 HydrophobicContact CB-CH2 3.98Å; K295-W355 HydrophobicContact CB-CZ2 3.46Å; K295-W355 VanDerWaalsContact CB-CZ2 3.46Å; K295-W355 HydrophobicContact CD-CZ2 4.14Å; K295-W355 HydrophobicContact CG-CZ2 4.43Å
296S92.3Very high86Confident2 Ų248.8 Ų48.81%0.01425%0.254CS..EExtended strand (participates in β ladder)trans-154.4142.5-179-177.10000109.8T298 L299 A320 V347S296-T298 PolarHBondContact O-N 2.85Å; S296-T298 PolarHBondContact OG-OG1 3.34Å; S296-L299 PolarHBondContact O-N 3.1Å; S296-A320 WeakPolarHBondContact CB-O 3.3Å; S296-A320 PolarHBondContact OG-O 3.39Å; S296-V347 WeakPolarHBondContact OG-CG2 3.35Å
297A87.9Confident84.8Confident18 Ų1852.6 Ų52.615%0.14927%0.273CS..THydrogen-bonded Turntrans-62.1-27.1177.700000113.1L329A297-L329 HydrophobicContact CB-CD1 4.05Å
298T89.9Confident84.2Confident5 Ų554.2 Ų54.23%0.03128%0.284CS..THydrogen-bonded Turntrans-91.9-5-173.566.80000114S296 A320 F321 D322 K325 A326S296-T298 PolarHBondContact O-N 2.85Å; S296-T298 PolarHBondContact OG-OG1 3.34Å; T298-A320 PolarHBondContact OG1-O 2.8Å; T298-F321 HydrophobicContact CG2-CD2 3.89Å; T298-F321 HydrophobicContact CG2-CE2 3.81Å; T298-F321 VanDerWaalsContact OG1-CA 3.3Å; T298-F321 WeakPolarHBondContact OG1-CA 3.46Å; T298-D322 WeakPolarHBondContact CG2-O 3.34Å; T298-D322 PolarHBondContact OG1-N 2.73Å; T298-K325 HydrophobicContact CG2-CB 4.11Å; T298-K325 WeakPolarHBondContact O-CD 3.31Å; T298-A326 HydrophobicContact CG2-CB 3.8Å
299L88.1Confident84Confident14 Ų1455.2 Ų55.27%0.07329%0.29CS..THydrogen-bonded Turntrans-82.5-29.9178.4-78175.8000112.4L157 I294 S296 I318 K319L157-L299 HydrophobicContact CD2-CD2 4.31Å; I294-L299 HydrophobicContact CG2-CD1 3.89Å; S296-L299 PolarHBondContact O-N 3.1Å; L299-I318 HydrophobicContact CD1-CD1 4.16Å; L299-I318 HydrophobicContact CD2-CD1 3.79Å; L299-I318 HydrophobicContact CD2-CG1 3.96Å; L299-K319 WeakPolarHBondContact CD2-O 3.25Å
300D80.1Confident83.9Confident14 Ų1452.7 Ų52.78%0.07527%0.27CS..SBendtrans-94.6163.1-175.6-59.1-48.4000111.3L307 L308 H310D300-L307 HydrophobicContact CB-CD2 4.26Å; D300-L307 WeakPolarHBondContact OD2-CA 2.83Å; D300-L307 WeakPolarHBondContact OD2-CD2 3.29Å; D300-L308 WeakPolarHBondContact OD1-CB 3.39Å; D300-L308 PolarHBondContact OD2-N 3.03Å; D300-H310 IonicContact OD1-CE1 3.72Å; D300-H310 IonicContact OD1-NE2 2.92Å; D300-H310 PolarHBondContact OD1-NE2 2.76Å
301N71.1Confident83.8Confident95 Ų9553.4 Ų53.451%0.50828%0.275SS..  trans-62.7133.3171.7-177.8-27.5000108.9D303 S304N301-D303 PolarHBondContact O-N 3.48Å; N301-D303 VanDerWaalsContact O-N 3.1Å; N301-D303 WeakPolarHBondContact OD1-CB 3.49Å; N301-D303 PolarHBondContact OD1-N 2.88Å; N301-S304 WeakPolarHBondContact O-CB 3.28Å; N301-S304 PolarHBondContact O-N 3.03Å
302P67.1Low83.8Confident98 Ų9852.1 Ų52.164%0.63627%0.266SS*.THydrogen-bonded Turntrans-53.3-2817521.9-35.3000114S304 L329P302-S304 VanDerWaalsContact C-N 3.29Å; P302-S304 PolarHBondContact O-N 3.37Å; P302-L329 HydrophobicContact CB-CD2 4.11Å
303D64.8Low83.7Confident140 Ų14055.9 Ų55.975%0.74928%0.283SS*.THydrogen-bonded Turntrans-80.1-9.8177.3-59.6-37.3000113.3N301 R305N301-D303 PolarHBondContact O-N 3.48Å; N301-D303 VanDerWaalsContact O-N 3.1Å; N301-D303 WeakPolarHBondContact OD1-CB 3.49Å; N301-D303 PolarHBondContact OD1-N 2.88Å; D303-R305 PolarHBondContact O-N 3.29Å
304S67.6Low83.7Confident49 Ų4956.9 Ų56.934%0.34329%0.29SS..  trans-71.6125177.6-172.80000110.4N301 P302 T306N301-S304 WeakPolarHBondContact O-CB 3.28Å; N301-S304 PolarHBondContact O-N 3.03Å; P302-S304 VanDerWaalsContact C-N 3.29Å; P302-S304 PolarHBondContact O-N 3.37Å; S304-T306 PolarHBondContact O-N 3.33Å; S304-T306 PolarHBondContact OG-N 3.2Å; S304-T306 PolarHBondContact OG-O 3.3Å
305R64.3Low83.6Confident244 Ų24457.1 Ų57.192%0.92129%0.293SS*.SBendtrans-76.4-8.9175.9-62.7-173.7-177.8-177-0113.4D303D303-R305 PolarHBondContact O-N 3.29Å
306T66.5Low83.9Confident61 Ų6155.9 Ų55.937%0.37429%0.287SS..SBendtrans-133.8123.7-176.252.90000110.7S304S304-T306 PolarHBondContact O-N 3.33Å; S304-T306 PolarHBondContact OG-N 3.2Å; S304-T306 PolarHBondContact OG-O 3.3Å
307L72.3Confident84.1Confident79 Ų7955.9 Ų55.941%0.41429%0.288SS..  trans-73.6124.7172.1-66.1-179.7000110.4K295 D300K295-L307 HydrophobicContact CD-CB 4.45Å; K295-L307 HydrophobicContact CG-CB 4.27Å; D300-L307 HydrophobicContact CB-CD2 4.26Å; D300-L307 WeakPolarHBondContact OD2-CA 2.83Å; D300-L307 WeakPolarHBondContact OD2-CD2 3.29Å
308L85.3Confident84.6Confident67 Ų6755.3 Ų55.335%0.35128%0.282SS..  trans-88.6156.7-177.4-60.3178.2000111.4D300D300-L308 WeakPolarHBondContact OD1-CB 3.39Å; D300-L308 PolarHBondContact OD2-N 3.03Å
309V90.9Very high84.9Confident25 Ų2557.6 Ų57.615%0.15229%0.291CS..  trans-104.5109.8173.5179.40000108.3F293 I294 K295 W355F293-V309 HydrophobicContact CB-CG1 3.76Å; F293-V309 HydrophobicContact CD1-CG1 4.39Å; I294-V309 CarbonylContact O-C 3.41Å; I294-V309 WeakPolarHBondContact O-CA 3.29Å; K295-V309 HydrophobicContact CB-CG2 4.28Å; K295-V309 HydrophobicContact CD-CG2 4.36Å; K295-V309 HydrophobicContact CG-CG2 4.5Å; V309-W355 WeakPolarHBondContact CB-O 3.47Å; V309-W355 HydrophobicContact CG1-CD2 4.14Å; V309-W355 HydrophobicContact CG1-CE3 3.89Å; V309-W355 HydrophobicContact CG1-CH2 4.02Å; V309-W355 HydrophobicContact CG1-CZ2 4.27Å; V309-W355 HydrophobicContact CG1-CZ3 3.82Å; V309-W355 HydrophobicContact CG2-CD2 4.05Å; V309-W355 HydrophobicContact CG2-CG 4.42Å; V309-W355 HydrophobicContact CG2-CH2 4.49Å; V309-W355 HydrophobicContact CG2-CZ2 3.92Å; V309-W355 VanDerWaalsContact CG2-O 3.23Å; V309-W355 WeakPolarHBondContact CG2-O 3.4Å
310H92.9Very high85.3Confident26 Ų2657 Ų5712%0.1229%0.288CS..EExtended strand (participates in β ladder)trans-88125.3-176.1-65.8-85.2000110.4L157 F293 I294 D300 I318L157-H310 VanDerWaalsContact CD2-CE1 3.46Å; L157-H310 WeakPolarHBondContact CD2-CE1 3.44Å; L157-H310 WeakPolarHBondContact CD2-ND1 3.41Å; F293-H310 CarbonylContact C-O 3.34Å; F293-H310 WeakPolarHBondContact CA-O 3.22Å; I294-H310 PolarHBondContact N-O 3.16Å; I294-H310 PolarHBondContact O-N 3.46Å; D300-H310 IonicContact OD1-CE1 3.72Å; D300-H310 IonicContact OD1-NE2 2.92Å; D300-H310 PolarHBondContact OD1-NE2 2.76Å; H310-I318 HydrophobicContact CB-CD1 4.08Å
311K95.5Very high86Confident85 Ų8556.3 Ų56.337%0.3729%0.285SS..EExtended strand (participates in β ladder)trans-89.8121.8178.4-177.9-178.6-178.2-1770110.2P291 F293 F313P291-K311 HydrophobicContact CB-CD 4.46Å; P291-K311 HydrophobicContact CB-CG 4.01Å; F293-K311 HydrophobicContact CD1-CB 3.96Å; F293-K311 HydrophobicContact CD1-CG 4.05Å; F293-K311 HydrophobicContact CE1-CB 3.88Å; F293-K311 HydrophobicContact CE1-CD 3.76Å; F293-K311 HydrophobicContact CE1-CG 3.57Å; F293-K311 HydrophobicContact CZ-CD 4.13Å; F293-K311 HydrophobicContact CZ-CG 4.04Å; K311-F313 HydrophobicContact CD-CE1 4.41Å; K311-F313 HydrophobicContact CD-CE2 4.41Å; K311-F313 HydrophobicContact CD-CZ 4.02Å
312V97.1Very high87.1Confident0 Ų052.6 Ų52.60%027%0.265CS..EExtended strand (participates in β ladder)trans-112116.4-179.1-173.40000109.9N286 P291 I292 I294 F316 I318N286-V312 HydrophobicContact CB-CG1 4.17Å; N286-V312 PolarHBondContact ND2-O 3.15Å; P291-V312 WeakPolarHBondContact CA-O 3.36Å; I292-V312 HydrophobicContact CD1-CB 4.24Å; I292-V312 HydrophobicContact CG1-CB 3.71Å; I292-V312 HydrophobicContact CG1-CG1 4.42Å; I292-V312 HydrophobicContact CG1-CG2 4.36Å; I292-V312 PolarHBondContact N-O 2.83Å; I292-V312 PolarHBondContact O-N 3.32Å; I294-V312 HydrophobicContact CD1-CG2 4.02Å; I294-V312 HydrophobicContact CG1-CG2 4.29Å; V312-F316 HydrophobicContact CG1-CB 3.84Å; V312-I318 HydrophobicContact CG2-CB 4.2Å; V312-I318 HydrophobicContact CG2-CD1 4.31Å; V312-I318 HydrophobicContact CG2-CG2 3.71Å
313F96.9Very high88.2Confident80 Ų8049.3 Ų49.335%0.35124%0.24SC..  trans-75.8159.9-178.1-71-82.6000113.2N286 P291 K311 G315 F316N286-F313 PolarHBondContact ND2-O 2.84Å; P291-F313 HydrophobicContact CG-CD1 4.09Å; P291-F313 HydrophobicContact CG-CE1 4.34Å; K311-F313 HydrophobicContact CD-CE1 4.41Å; K311-F313 HydrophobicContact CD-CE2 4.41Å; K311-F313 HydrophobicContact CD-CZ 4.02Å; F313-G315 PolarHBondContact O-N 3.43Å; F313-F316 HydrophobicContact CB-CD2 3.7Å; F313-F316 HydrophobicContact CB-CE2 3.98Å; F313-F316 HydrophobicContact CB-CG 4.33Å; F313-F316 WeakPolarHBondContact O-CB 3.11Å; F313-F316 PolarHBondContact O-N 3.43Å; F313-F316 VanDerWaalsContact O-N 3.07Å
314P96.6Very high89.4Confident31 Ų3149.1 Ų49.120%0.20124%0.239CC..THydrogen-bonded Turntrans-47.9129.1170.7-33.640.3000113.3S288 C289 F316S288-P314 WeakPolarHBondContact O-CB 3.3Å; S288-P314 WeakPolarHBondContact O-CG 3.3Å; C289-P314 WeakPolarHBondContact O-CG 3.34Å; P314-F316 VanDerWaalsContact C-N 3.29Å; P314-F316 WeakPolarHBondContact O-CD2 3.3Å; P314-F316 PolarHBondContact O-N 2.94Å
315G96.3Very high90.5Very high5 Ų551.4 Ų51.45%0.05224%0.243CC..THydrogen-bonded Turntrans81.11.8-179.900000115.2W118 S152 R153 N286 F313W118-G315 WeakPolarHBondContact CZ2-O 3.42Å; S152-G315 WeakPolarHBondContact CA-O 3.5Å; S152-G315 WeakPolarHBondContact CB-O 3.48Å; R153-G315 PolarHBondContact N-O 3.13Å; N286-G315 WeakPolarHBondContact O-CA 3.08Å; N286-G315 PolarHBondContact O-N 3.09Å; F313-G315 PolarHBondContact O-N 3.43Å
316F97.8Very high91.6Very high35 Ų3539.8 Ų39.815%0.15420%0.199CC..EExtended strand (participates in β ladder)trans-97.1152.7175.2-72.2-114.5000111.7R153 L154 N286 V312 F313 P314R153-F316 HydrophobicContact CB-CD1 3.51Å; R153-F316 HydrophobicContact CB-CD2 4.03Å; R153-F316 HydrophobicContact CB-CE1 3.5Å; R153-F316 HydrophobicContact CB-CE2 4.01Å; R153-F316 HydrophobicContact CB-CG 3.79Å; R153-F316 HydrophobicContact CB-CZ 3.76Å; R153-F316 HydrophobicContact CG-CE1 4.37Å; R153-F316 HydrophobicContact CG-CE2 4.5Å; R153-F316 HydrophobicContact CG-CZ 4.24Å; R153-F316 CarbonylContact O-C 3.56Å; R153-F316 WeakPolarHBondContact O-CA 3.42Å; L154-F316 WeakPolarHBondContact O-CD1 3.3Å; N286-F316 PolarHBondContact N-O 3.16Å; V312-F316 HydrophobicContact CG1-CB 3.84Å; F313-F316 HydrophobicContact CB-CD2 3.7Å; F313-F316 HydrophobicContact CB-CE2 3.98Å; F313-F316 HydrophobicContact CB-CG 4.33Å; F313-F316 WeakPolarHBondContact O-CB 3.11Å; F313-F316 PolarHBondContact O-N 3.43Å; F313-F316 VanDerWaalsContact O-N 3.07Å; P314-F316 VanDerWaalsContact C-N 3.29Å; P314-F316 WeakPolarHBondContact O-CD2 3.3Å; P314-F316 PolarHBondContact O-N 2.94Å
317S98.1Very high92.5Very high3 Ų340.1 Ų40.12%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-120.7146.7172.8-65.70000110.8S152 R153 C155 V284 Y285S152-S317 WeakPolarHBondContact CB-OG 2.87Å; S152-S317 VanDerWaalsContact OG-CB 3.32Å; S152-S317 WeakPolarHBondContact OG-CB 3.49Å; S152-S317 PolarHBondContact OG-OG 2.67Å; R153-S317 PolarHBondContact O-N 2.71Å; C155-S317 WeakPolarHBondContact CB-O 3.38Å; C155-S317 PolarHBondContact N-O 3.46Å; V284-S317 WeakPolarHBondContact O-CA 3.47Å; Y285-S317 WeakPolarHBondContact CB-OG 3.16Å; Y285-S317 WeakPolarHBondContact CD2-OG 3.44Å
318I97.3Very high92.9Very high6 Ų640.9 Ų40.93%0.03122%0.215CC..EExtended strand (participates in β ladder)trans-134.8143.3173.5-169.6173.7000109.6C155 L157 W283 V284 I294 L299 H310 V312 A320C155-I318 HydrophobicContact CB-CB 3.93Å; C155-I318 HydrophobicContact CB-CD1 4.4Å; C155-I318 HydrophobicContact CB-CG1 4.24Å; L157-I318 HydrophobicContact CD2-CD1 3.97Å; W283-I318 WeakPolarHBondContact CA-O 3.36Å; V284-I318 HydrophobicContact CB-CG2 4.3Å; V284-I318 PolarHBondContact N-O 3.37Å; V284-I318 PolarHBondContact O-N 2.73Å; I294-I318 HydrophobicContact CD1-CG2 3.74Å; L299-I318 HydrophobicContact CD1-CD1 4.16Å; L299-I318 HydrophobicContact CD2-CD1 3.79Å; L299-I318 HydrophobicContact CD2-CG1 3.96Å; H310-I318 HydrophobicContact CB-CD1 4.08Å; V312-I318 HydrophobicContact CG2-CB 4.2Å; V312-I318 HydrophobicContact CG2-CD1 4.31Å; V312-I318 HydrophobicContact CG2-CG2 3.71Å; I318-A320 VanDerWaalsContact C-N 3.3Å; I318-A320 HydrophobicContact CG2-CB 4.46Å; I318-A320 PolarHBondContact O-N 3.19Å
319K96.6Very high92.5Very high52 Ų5240.8 Ų40.823%0.22622%0.215CC..EExtended strand (participates in β ladder)trans-76.883.9170.2-170.4-174.8-176.3-175.60108.6D280 V282 W283 L299 F321 D322D280-K319 VanDerWaalsContact C-CE 3.43Å; D280-K319 WeakPolarHBondContact O-CE 3.28Å; D280-K319 PolarHBondContact O-NZ 2.81Å; D280-K319 WeakPolarHBondContact OD2-CD 3.34Å; D280-K319 VanDerWaalsContact OD2-CE 3.31Å; D280-K319 WeakPolarHBondContact OD2-CE 3.26Å; D280-K319 IonicContact OD2-NZ 2.71Å; D280-K319 PolarHBondContact OD2-NZ 3Å; V282-K319 CarbonylContact O-C 3.59Å; W283-K319 HydrophobicContact CD2-CB 3.93Å; W283-K319 HydrophobicContact CD2-CG 4.35Å; W283-K319 HydrophobicContact CE3-CB 4.07Å; W283-K319 VanDerWaalsContact CE3-N 3.33Å; W283-K319 HydrophobicContact CH2-CB 3.88Å; W283-K319 HydrophobicContact CZ2-CB 3.73Å; W283-K319 HydrophobicContact CZ2-CD 4.27Å; W283-K319 HydrophobicContact CZ2-CG 4.12Å; W283-K319 HydrophobicContact CZ3-CB 4.04Å; L299-K319 WeakPolarHBondContact CD2-O 3.25Å; K319-F321 VanDerWaalsContact C-N 3.26Å; K319-F321 PolarHBondContact O-N 2.64Å; K319-D322 WeakPolarHBondContact CE-OD2 3.14Å; K319-D322 IonicContact NZ-OD2 3.67Å; K319-D322 PolarHBondContact NZ-OD2 2.89Å
320A96.2Very high91.3Very high1 Ų144.6 Ų44.61%0.00823%0.231CC..EExtended strand (participates in β ladder)trans-67.9-24.2-172.200000113.6V282 V284 I294 S296 T298 I318 V347V282-A320 PolarHBondContact O-N 3.01Å; V284-A320 HydrophobicContact CB-CB 4.36Å; V284-A320 HydrophobicContact CG2-CB 3.63Å; I294-A320 HydrophobicContact CG2-CB 4.24Å; S296-A320 WeakPolarHBondContact CB-O 3.3Å; S296-A320 PolarHBondContact OG-O 3.39Å; T298-A320 PolarHBondContact OG1-O 2.8Å; I318-A320 VanDerWaalsContact C-N 3.3Å; I318-A320 HydrophobicContact CG2-CB 4.46Å; I318-A320 PolarHBondContact O-N 3.19Å; A320-V347 HydrophobicContact CB-CG1 4.24Å; A320-V347 HydrophobicContact CB-CG2 4.35Å; A320-V347 WeakPolarHBondContact O-CG2 3.48Å
321F95.3Very high89.7Confident0 Ų052.3 Ų52.30%026%0.259CS..EExtended strand (participates in β ladder)trans-141.6142.1-179.5-166.7-108000112.5G281 V282 T298 K319 Y323 A326 G344 F345 V347 F375G281-F321 CarbonylContact C-O 3.46Å; G281-F321 WeakPolarHBondContact CA-O 3.43Å; V282-F321 HydrophobicContact CB-CB 3.86Å; V282-F321 HydrophobicContact CG2-CB 4.12Å; V282-F321 HydrophobicContact CG2-CD1 4.18Å; V282-F321 PolarHBondContact N-O 3.44Å; V282-F321 PolarHBondContact O-N 3.14Å; V282-F321 VanDerWaalsContact O-N 3.1Å; T298-F321 HydrophobicContact CG2-CD2 3.89Å; T298-F321 HydrophobicContact CG2-CE2 3.81Å; T298-F321 VanDerWaalsContact OG1-CA 3.3Å; T298-F321 WeakPolarHBondContact OG1-CA 3.46Å; K319-F321 VanDerWaalsContact C-N 3.26Å; K319-F321 PolarHBondContact O-N 2.64Å; F321-Y323 HydrophobicContact CD1-CD1 4.32Å; F321-Y323 HydrophobicContact CD1-CD2 4.38Å; F321-Y323 HydrophobicContact CD1-CE1 4.3Å; F321-Y323 HydrophobicContact CD1-CE2 4.36Å; F321-Y323 HydrophobicContact CD1-CG 4.36Å; F321-Y323 AromaticContact CE1-CD1 3.65Å; F321-Y323 HydrophobicContact CE1-CD1 3.65Å; F321-Y323 HydrophobicContact CE1-CD2 4.45Å; F321-Y323 AromaticContact CE1-CE1 3.81Å; F321-Y323 HydrophobicContact CE1-CE1 3.81Å; F321-Y323 AromaticContact CE1-CG 3.99Å; F321-Y323 HydrophobicContact CE1-CG 3.99Å; F321-A326 HydrophobicContact CE1-CB 4.17Å; F321-A326 HydrophobicContact CE2-CB 3.72Å; F321-A326 HydrophobicContact CZ-CB 3.31Å; F321-G344 VanDerWaalsContact CE2-O 3.3Å; F321-G344 WeakPolarHBondContact CE2-O 3.28Å; F321-F345 HydrophobicContact CE1-CD1 4.29Å; F321-F345 HydrophobicContact CE1-CE1 4.48Å; F321-F345 HydrophobicContact CZ-CB 4.49Å; F321-F345 AromaticContact CZ-CD1 3.65Å; F321-F345 HydrophobicContact CZ-CD1 3.65Å; F321-F345 AromaticContact CZ-CE1 4Å; F321-F345 HydrophobicContact CZ-CE1 4Å; F321-F345 HydrophobicContact CZ-CG 4.16Å; F321-V347 HydrophobicContact CB-CG2 4.12Å; F321-V347 HydrophobicContact CD2-CG2 4.2Å; F321-F375 HydrophobicContact CB-CD2 4.28Å; F321-F375 HydrophobicContact CB-CE2 3.65Å; F321-F375 HydrophobicContact CB-CZ 3.92Å; F321-F375 AromaticContact CD1-CD2 3.66Å; F321-F375 HydrophobicContact CD1-CD2 3.66Å; F321-F375 AromaticContact CD1-CE2 3.92Å; F321-F375 HydrophobicContact CD1-CE2 3.92Å; F321-F375 HydrophobicContact CD1-CG 4.02Å; F321-F375 HydrophobicContact CD1-CZ 4.49Å; F321-F375 AromaticContact CD2-CD2 3.63Å; F321-F375 HydrophobicContact CD2-CD2 3.63Å; F321-F375 AromaticContact CD2-CE2 3.57Å; F321-F375 HydrophobicContact CD2-CE2 3.57Å; F321-F375 HydrophobicContact CE1-CB 4.17Å; F321-F375 AromaticContact CE1-CD2 3.78Å; F321-F375 HydrophobicContact CE1-CD2 3.78Å; F321-F375 HydrophobicContact CE1-CE2 4.47Å; F321-F375 HydrophobicContact CE1-CG 4.03Å; F321-F375 AromaticContact CE2-CD2 3.75Å; F321-F375 HydrophobicContact CE2-CD2 3.75Å; F321-F375 HydrophobicContact CE2-CE2 4.16Å; F321-F375 AromaticContact CG-CD2 3.57Å; F321-F375 HydrophobicContact CG-CD2 3.57Å; F321-F375 AromaticContact CG-CE2 3.42Å; F321-F375 HydrophobicContact CG-CE2 3.42Å; F321-F375 VanDerWaalsContact CG-CE2 3.42Å; F321-F375 HydrophobicContact CG-CG 4.35Å; F321-F375 HydrophobicContact CG-CZ 4.11Å; F321-F375 HydrophobicContact CZ-CB 4.42Å; F321-F375 AromaticContact CZ-CD2 3.82Å; F321-F375 HydrophobicContact CZ-CD2 3.82Å; F321-F375 HydrophobicContact CZ-CG 4.38Å
322D93.9Very high87.4Confident18 Ų1853.7 Ų53.710%0.09628%0.276CS..  trans-131.6115.5176.5-173.4-50.4000109.1T298 K319 D324 K325 A326T298-D322 WeakPolarHBondContact CG2-O 3.34Å; T298-D322 PolarHBondContact OG1-N 2.73Å; K319-D322 WeakPolarHBondContact CE-OD2 3.14Å; K319-D322 IonicContact NZ-OD2 3.67Å; K319-D322 PolarHBondContact NZ-OD2 2.89Å; D322-D324 VanDerWaalsContact C-N 3.33Å; D322-D324 PolarHBondContact O-N 2.84Å; D322-D324 PolarHBondContact OD1-N 2.69Å; D322-D324 VanDerWaalsContact OD1-N 3.09Å; D322-K325 HydrophobicContact CB-CB 4.03Å; D322-K325 HydrophobicContact CB-CD 3.96Å; D322-K325 HydrophobicContact CB-CG 4.01Å; D322-K325 PolarHBondContact O-N 2.92Å; D322-K325 PolarHBondContact OD1-N 2.83Å; D322-K325 VanDerWaalsContact OD1-N 3.13Å; D322-A326 WeakPolarHBondContact O-CB 3.47Å; D322-A326 PolarHBondContact O-N 2.83Å
323Y91.2Very high85Confident28 Ų2860.2 Ų60.211%0.1131%0.312CS..Hα-helixtrans-63.3-39.2-173.9-73.5-83.1000112.1V282 F321 A326 C327V282-Y323 HydrophobicContact CG2-CE2 3.89Å; F321-Y323 HydrophobicContact CD1-CD1 4.32Å; F321-Y323 HydrophobicContact CD1-CD2 4.38Å; F321-Y323 HydrophobicContact CD1-CE1 4.3Å; F321-Y323 HydrophobicContact CD1-CE2 4.36Å; F321-Y323 HydrophobicContact CD1-CG 4.36Å; F321-Y323 AromaticContact CE1-CD1 3.65Å; F321-Y323 HydrophobicContact CE1-CD1 3.65Å; F321-Y323 HydrophobicContact CE1-CD2 4.45Å; F321-Y323 AromaticContact CE1-CE1 3.81Å; F321-Y323 HydrophobicContact CE1-CE1 3.81Å; F321-Y323 AromaticContact CE1-CG 3.99Å; F321-Y323 HydrophobicContact CE1-CG 3.99Å; Y323-A326 PolarHBondContact O-N 2.93Å; Y323-C327 PolarHBondContact O-N 2.81Å; Y323-C327 PolarHBondContact O-SG 3.07Å
324D89.9Confident82.7Confident136 Ų13661 Ų6173%0.72732%0.319SS*.Hα-helixtrans-70.3-41.4-176.9-62.6-27.1000110.3D322 C327 S328D322-D324 VanDerWaalsContact C-N 3.33Å; D322-D324 PolarHBondContact O-N 2.84Å; D322-D324 PolarHBondContact OD1-N 2.69Å; D322-D324 VanDerWaalsContact OD1-N 3.09Å; D324-C327 PolarHBondContact O-N 3.44Å; D324-S328 PolarHBondContact O-N 3.36Å; D324-S328 VanDerWaalsContact O-N 3.11Å
325K89.1Confident80.4Confident97 Ų9767.3 Ų67.342%0.42235%0.346SS..Hα-helixtrans-64.4-39.3172.6-65.2-174.8-175.3-177.70112.4T298 D322 C327 S328 L329T298-K325 HydrophobicContact CG2-CB 4.11Å; T298-K325 WeakPolarHBondContact O-CD 3.31Å; D322-K325 HydrophobicContact CB-CB 4.03Å; D322-K325 HydrophobicContact CB-CD 3.96Å; D322-K325 HydrophobicContact CB-CG 4.01Å; D322-K325 PolarHBondContact O-N 2.92Å; D322-K325 PolarHBondContact OD1-N 2.83Å; D322-K325 VanDerWaalsContact OD1-N 3.13Å; K325-C327 VanDerWaalsContact C-N 3.32Å; K325-C327 PolarHBondContact O-N 3.02Å; K325-S328 PolarHBondContact O-N 2.68Å; K325-S328 PolarHBondContact O-OG 3.28Å; K325-L329 VanDerWaalsContact O-CG 3.24Å; K325-L329 WeakPolarHBondContact O-CG 3.43Å; K325-L329 PolarHBondContact O-N 3.32Å; K325-L329 VanDerWaalsContact O-N 3.16Å
326A88.2Confident77.7Confident1 Ų175.5 Ų75.51%0.00838%0.383CS..Hα-helixtrans-65-38.6179.200000111.9T298 F321 D322 Y323 L329 F345T298-A326 HydrophobicContact CG2-CB 3.8Å; F321-A326 HydrophobicContact CE1-CB 4.17Å; F321-A326 HydrophobicContact CE2-CB 3.72Å; F321-A326 HydrophobicContact CZ-CB 3.31Å; D322-A326 WeakPolarHBondContact O-CB 3.47Å; D322-A326 PolarHBondContact O-N 2.83Å; Y323-A326 PolarHBondContact O-N 2.93Å; A326-L329 PolarHBondContact O-N 3.28Å; A326-F345 HydrophobicContact CB-CD1 4.45Å; A326-F345 HydrophobicContact CB-CD2 4.42Å; A326-F345 HydrophobicContact CB-CE1 3.96Å; A326-F345 HydrophobicContact CB-CE2 3.89Å; A326-F345 HydrophobicContact CB-CZ 3.65Å
327C84.6Confident75Confident68 Ų6881.3 Ų81.346%0.45941%0.408SS..Hα-helixtrans-66-41.5175.1-70.70000112.2Y323 D324 K325 L329 Q330Y323-C327 PolarHBondContact O-N 2.81Å; Y323-C327 PolarHBondContact O-SG 3.07Å; D324-C327 PolarHBondContact O-N 3.44Å; K325-C327 VanDerWaalsContact C-N 3.32Å; K325-C327 PolarHBondContact O-N 3.02Å; C327-L329 VanDerWaalsContact C-N 3.27Å; C327-L329 PolarHBondContact O-N 2.97Å; C327-Q330 WeakPolarHBondContact O-CB 3.32Å; C327-Q330 PolarHBondContact O-N 3.22Å
328S82.4Confident72.2Confident94 Ų9487.1 Ų87.166%0.65744%0.444SS*.Hα-helixtrans-70.7-22179.667.50000113.9D324 K325 Q330D324-S328 PolarHBondContact O-N 3.36Å; D324-S328 VanDerWaalsContact O-N 3.11Å; K325-S328 PolarHBondContact O-N 2.68Å; K325-S328 PolarHBondContact O-OG 3.28Å; S328-Q330 VanDerWaalsContact C-N 3.3Å
329L76.6Confident69.4Low65 Ų6595.8 Ų95.834%0.3448%0.484SS..THydrogen-bonded Turntrans-77.8-11.1174.4-70.6170.9000113.5A297 P302 K325 A326 C327 R331A297-L329 HydrophobicContact CB-CD1 4.05Å; P302-L329 HydrophobicContact CB-CD2 4.11Å; K325-L329 VanDerWaalsContact O-CG 3.24Å; K325-L329 WeakPolarHBondContact O-CG 3.43Å; K325-L329 PolarHBondContact O-N 3.32Å; K325-L329 VanDerWaalsContact O-N 3.16Å; A326-L329 PolarHBondContact O-N 3.28Å; C327-L329 VanDerWaalsContact C-N 3.27Å; C327-L329 PolarHBondContact O-N 2.97Å; L329-R331 PolarHBondContact O-N 3.49Å
330Q65.6Low66.6Low105 Ų105100 Ų10049%0.49150%0.504SS..  trans-67.4117.8176-65.8-175.6-6.900109.8C327 S328 F345C327-Q330 WeakPolarHBondContact O-CB 3.32Å; C327-Q330 PolarHBondContact O-N 3.22Å; S328-Q330 VanDerWaalsContact C-N 3.3Å; Q330-F345 HydrophobicContact CG-CE2 4.3Å
331R58.3Low64.1Low188 Ų188104 Ų10471%0.70953%0.531SS*.  trans-82.6139.7175.4-67.2-176.9-179.8175.61.2109.7L329 N333 D334L329-R331 PolarHBondContact O-N 3.49Å; R331-N333 PolarHBondContact O-N 3.16Å; R331-D334 PolarHBondContact O-N 3.38Å
332P48.1Very low62.3Low114 Ų114112 Ų11274%0.7456%0.561SS**THydrogen-bonded Turntrans-56.6-21.9-179.6-25.732.7000115.6H335P332-H335 PolarHBondContact O-CD2 3.48Å
333N45.4Very low60.8Low138 Ų138116.5 Ų116.574%0.73859%0.589SS**THydrogen-bonded Turntrans-102.37.8-176.9-77.31.4000114.8R331 H335R331-N333 PolarHBondContact O-N 3.16Å; N333-H335 PolarHBondContact O-N 3Å
334D48.6Very low60.1Low96 Ų96115.9 Ų115.951%0.51359%0.591SS.*G310 helixtrans-70.3-0.2179-81.9-18.8000113.7R331 E336 F337R331-D334 PolarHBondContact O-N 3.38Å; D334-E336 PolarHBondContact O-N 3.43Å; D334-F337 PolarHBondContact O-N 3.37Å
335H49.4Very low60.1Low164 Ų164109.8 Ų109.876%0.75956%0.559SS**G310 helixtrans-63.1-24.1174.6-70.3-72.4000113.8P332 N333 T338P332-H335 PolarHBondContact O-CD2 3.48Å; N333-H335 PolarHBondContact O-N 3Å; H335-T338 PolarHBondContact O-OG1 3.11Å
336E39.5Very low60.3Low176 Ų176106 Ų10682%0.82254%0.544SS*.G310 helixtrans-80.6-15-177.5-72.2-108.7112.100114D334D334-E336 PolarHBondContact O-N 3.43Å
337F40Very low60.7Low157 Ų157106 Ų10669%0.68954%0.544SS*.  trans-10958.1179.1-78.5-86.3000111.7D334 Q339D334-F337 PolarHBondContact O-N 3.37Å; F337-Q339 PolarHBondContact O-N 3.46Å
338T39.7Very low61.3Low125 Ų125104.9 Ų104.977%0.76753%0.531SS*.THydrogen-bonded Turntrans-69.96.4-176.8-12.50000114.7H335H335-T338 PolarHBondContact O-OG1 3.11Å
339Q38.1Very low62.1Low188 Ų188100.4 Ų100.488%0.87950%0.5SS*.THydrogen-bonded Turntrans-115-5.8-174.9-67-73.2-28.600114.1F337F337-Q339 PolarHBondContact O-N 3.46Å
340Q38.7Very low63.1Low140 Ų14097.3 Ų97.365%0.65448%0.484SS*.SBendtrans-100.4136.1176.9-148.182.642.700109.3R342Q340-R342 PolarHBondContact O-N 3.02Å
341P44.1Very low64.7Low87 Ų8792.4 Ų92.457%0.56546%0.461SS*.  trans-51137.6174.2-24.231.6000110T343P341-T343 VanDerWaalsContact O-CG2 3.3Å; P341-T343 WeakPolarHBondContact O-CG2 3.49Å; P341-T343 PolarHBondContact O-N 2.68Å
342R55.9Low66.6Low168 Ų16884.5 Ų84.563%0.63443%0.434SS*.  trans-58.889176.5-70.4-176.8-177.1175.80.4109.3Q340 G344 F345 T346 T377Q340-R342 PolarHBondContact O-N 3.02Å; R342-G344 PolarHBondContact O-N 3.32Å; R342-G344 VanDerWaalsContact O-N 3.07Å; R342-F345 PolarHBondContact O-N 3.45Å; R342-T346 PolarHBondContact O-OG1 3.13Å; R342-T377 PolarHBondContact NH1-OG1 3.35Å
343T63.6Low68.9Low111 Ų11182.8 Ų82.868%0.68141%0.414SS*.G310 helixtrans-59.7-27.2-170.255.50000111.9P341 F345P341-T343 VanDerWaalsContact O-CG2 3.3Å; P341-T343 WeakPolarHBondContact O-CG2 3.49Å; P341-T343 PolarHBondContact O-N 2.68Å; T343-F345 VanDerWaalsContact C-N 3.34Å; T343-F345 PolarHBondContact O-N 3.48Å
344G76.9Confident71.2Confident16 Ų1676.6 Ų76.617%0.16538%0.383CS..G310 helixtrans-71.5-16.2177.600000115.9F321 R342F321-G344 VanDerWaalsContact CE2-O 3.3Å; F321-G344 WeakPolarHBondContact CE2-O 3.28Å; R342-G344 PolarHBondContact O-N 3.32Å; R342-G344 VanDerWaalsContact O-N 3.07Å
345F90.1Very high73.4Confident8 Ų872.3 Ų72.34%0.03536%0.36CS..G310 helixtrans-114.723.1-177.9-76.9-99.2000112.7F321 A326 Q330 R342 T343 F375 T377F321-F345 HydrophobicContact CE1-CD1 4.29Å; F321-F345 HydrophobicContact CE1-CE1 4.48Å; F321-F345 HydrophobicContact CZ-CB 4.49Å; F321-F345 AromaticContact CZ-CD1 3.65Å; F321-F345 HydrophobicContact CZ-CD1 3.65Å; F321-F345 AromaticContact CZ-CE1 4Å; F321-F345 HydrophobicContact CZ-CE1 4Å; F321-F345 HydrophobicContact CZ-CG 4.16Å; A326-F345 HydrophobicContact CB-CD1 4.45Å; A326-F345 HydrophobicContact CB-CD2 4.42Å; A326-F345 HydrophobicContact CB-CE1 3.96Å; A326-F345 HydrophobicContact CB-CE2 3.89Å; A326-F345 HydrophobicContact CB-CZ 3.65Å; Q330-F345 HydrophobicContact CG-CE2 4.3Å; R342-F345 PolarHBondContact O-N 3.45Å; T343-F345 VanDerWaalsContact C-N 3.34Å; T343-F345 PolarHBondContact O-N 3.48Å; F345-F375 HydrophobicContact CD1-CB 4.39Å; F345-F375 VanDerWaalsContact O-CD2 3.29Å; F345-F375 WeakPolarHBondContact O-CD2 3.28Å; F345-F375 PolarHBondContact O-N 2.94Å; F345-T377 HydrophobicContact CD1-CG2 3.73Å; F345-T377 HydrophobicContact CD2-CG2 4.2Å; F345-T377 HydrophobicContact CE1-CG2 3.48Å; F345-T377 VanDerWaalsContact CE1-CG2 3.48Å; F345-T377 HydrophobicContact CE2-CG2 3.99Å; F345-T377 HydrophobicContact CG-CG2 4.1Å; F345-T377 HydrophobicContact CZ-CG2 3.62Å
346T92.3Very high75.3Confident18 Ų1865.1 Ų65.111%0.1133%0.33CS..EExtended strand (participates in β ladder)trans-123.4136.4-178.3-55.20000110.7R342 E372 V373 I374R342-T346 PolarHBondContact O-OG1 3.13Å; T346-E372 HydrophobicContact CG2-CG 3.47Å; T346-E372 VanDerWaalsContact CG2-CG 3.47Å; T346-V373 CarbonylContact C-O 3.57Å; T346-V373 VanDerWaalsContact CA-O 3.28Å; T346-V373 WeakPolarHBondContact CA-O 3.37Å; T346-I374 HydrophobicContact CG2-CG1 4.47Å
347V96.1Very high77.3Confident1 Ų163.8 Ų63.81%0.00632%0.324CS..EExtended strand (participates in β ladder)trans-113.4130.6168.6165.40000108.9I294 S296 A320 F321 I349 V373 F375I294-V347 HydrophobicContact CG2-CG1 3.9Å; S296-V347 WeakPolarHBondContact OG-CG2 3.35Å; A320-V347 HydrophobicContact CB-CG1 4.24Å; A320-V347 HydrophobicContact CB-CG2 4.35Å; A320-V347 WeakPolarHBondContact O-CG2 3.48Å; F321-V347 HydrophobicContact CB-CG2 4.12Å; F321-V347 HydrophobicContact CD2-CG2 4.2Å; V347-I349 HydrophobicContact CG1-CD1 3.95Å; V347-I349 HydrophobicContact CG1-CG1 3.68Å; V347-V373 HydrophobicContact CB-CB 4.34Å; V347-V373 PolarHBondContact N-O 3.36Å; V347-V373 PolarHBondContact O-N 3.12Å; V347-F375 HydrophobicContact CB-CE2 3.96Å; V347-F375 HydrophobicContact CB-CZ 4.23Å; V347-F375 HydrophobicContact CG2-CE2 3.53Å; V347-F375 HydrophobicContact CG2-CZ 3.99Å
348Q97.6Very high79.4Confident44 Ų4461.8 Ų61.821%0.20633%0.328CS..EExtended strand (participates in β ladder)trans-108.2126.5178.9-82.1-176.7-1300109.8I294 K295 W355 I364 L371I294-Q348 CarbonylContact C-O 3.49Å; I294-Q348 WeakPolarHBondContact CA-O 3.44Å; K295-Q348 HydrophobicContact CB-CB 4.34Å; K295-Q348 PolarHBondContact N-O 2.92Å; K295-Q348 PolarHBondContact O-N 2.83Å; Q348-W355 HydrophobicContact CB-CH2 4.43Å; Q348-W355 HydrophobicContact CB-CZ2 4.26Å; Q348-I364 HydrophobicContact CB-CD1 3.54Å; Q348-I364 HydrophobicContact CG-CD1 3.95Å; Q348-L371 WeakPolarHBondContact CA-O 3.44Å
349I98.6Very high81.7Confident0 Ų059.1 Ų59.10%031%0.305CS..EExtended strand (participates in β ladder)trans-130.4118.4-174.5-50.8178.4000110.4I273 V284 I292 F293 I294 V347 W370 L371 V373I273-I349 HydrophobicContact CD1-CD1 3.84Å; I273-I349 HydrophobicContact CD1-CG2 4.47Å; V284-I349 HydrophobicContact CG1-CD1 4.42Å; V284-I349 HydrophobicContact CG2-CD1 3.92Å; I292-I349 HydrophobicContact CB-CG2 4.28Å; I292-I349 HydrophobicContact CD1-CG2 4.34Å; F293-I349 CarbonylContact O-C 3.6Å; F293-I349 VanDerWaalsContact O-CA 3.3Å; F293-I349 WeakPolarHBondContact O-CA 3.35Å; I294-I349 HydrophobicContact CD1-CD1 4.39Å; I294-I349 HydrophobicContact CD1-CG1 4.36Å; I294-I349 HydrophobicContact CG1-CG1 4.13Å; I294-I349 HydrophobicContact CG1-CG2 4.09Å; I294-I349 HydrophobicContact CG2-CG1 4.44Å; V347-I349 HydrophobicContact CG1-CD1 3.95Å; V347-I349 HydrophobicContact CG1-CG1 3.68Å; I349-W370 CarbonylContact O-C 3.11Å; I349-W370 WeakPolarHBondContact O-CA 3.49Å; I349-W370 VanDerWaalsContact O-CB 3.3Å; I349-W370 WeakPolarHBondContact O-CB 3.16Å; I349-L371 HydrophobicContact CB-CB 4.31Å; I349-L371 PolarHBondContact N-O 2.87Å; I349-L371 PolarHBondContact O-N 3.1Å; I349-V373 HydrophobicContact CD1-CG2 4.35Å
350S98.6Very high84.2Confident0 Ų056.8 Ų56.80%030%0.303CS..EExtended strand (participates in β ladder)trans-102.8139.4172.8-179.20000111.7I292 F293 K353 C367I292-S350 CarbonylContact C-O 3.54Å; I292-S350 WeakPolarHBondContact CA-O 3.17Å; F293-S350 PolarHBondContact N-O 3.25Å; F293-S350 PolarHBondContact O-N 3.39Å; S350-K353 VanDerWaalsContact CB-O 3.28Å; S350-K353 WeakPolarHBondContact CB-O 3.37Å; S350-K353 PolarHBondContact OG-O 3.3Å; S350-C367 VanDerWaalsContact OG-CB 3.3Å; S350-C367 WeakPolarHBondContact OG-CB 3.15Å; S350-C367 PolarHBondContact OG-SG 3.36Å; S350-C367 VanDerWaalsContact OG-SG 3.39Å
351F98.7Very high86.7Confident1 Ų153.3 Ų53.30%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-89.8134.4174.6-63.6-78.7000111.1L250 V265 I269 I273 I292 K353 C369 L371L250-F351 HydrophobicContact CD1-CE2 3.89Å; L250-F351 HydrophobicContact CD1-CZ 4.1Å; V265-F351 HydrophobicContact CG1-CB 4.28Å; I269-F351 HydrophobicContact CD1-CB 4.46Å; I269-F351 HydrophobicContact CD1-CD2 3.81Å; I269-F351 HydrophobicContact CD1-CE2 4.1Å; I269-F351 HydrophobicContact CD1-CG 4.06Å; I269-F351 HydrophobicContact CG1-CB 3.93Å; I269-F351 HydrophobicContact CG1-CD1 4.06Å; I269-F351 HydrophobicContact CG1-CD2 4.07Å; I269-F351 HydrophobicContact CG1-CG 3.77Å; I269-F351 HydrophobicContact CG2-CD1 4.06Å; I269-F351 HydrophobicContact CG2-CE1 3.87Å; I269-F351 HydrophobicContact CG2-CZ 4.2Å; I273-F351 HydrophobicContact CG2-CE1 4.13Å; I292-F351 HydrophobicContact CG2-CD1 3.87Å; I292-F351 HydrophobicContact CG2-CE1 4.36Å; F351-K353 PolarHBondContact O-N 3.45Å; F351-C369 HydrophobicContact CD2-CB 4.3Å; F351-C369 PolarHBondContact N-O 2.86Å; F351-L371 HydrophobicContact CE2-CD1 3.81Å; F351-L371 HydrophobicContact CE2-CD2 4.31Å; F351-L371 HydrophobicContact CE2-CG 3.72Å; F351-L371 HydrophobicContact CZ-CD1 3.63Å; F351-L371 HydrophobicContact CZ-CG 4.1Å
352V97.8Very high89Confident23 Ų2353.9 Ų53.914%0.13928%0.279CS..SBendtrans66.4-36.2171.3-171.50000115.4V265 K268 Y290 P291 F293V265-V352 HydrophobicContact CG1-CB 4.08Å; V265-V352 HydrophobicContact CG1-CG2 3.99Å; V265-V352 HydrophobicContact CG2-CB 4.35Å; K268-V352 HydrophobicContact CB-CG2 3.76Å; K268-V352 HydrophobicContact CD-CG1 4.27Å; Y290-V352 HydrophobicContact CG-CG2 4.26Å; P291-V352 WeakPolarHBondContact O-CA 3.46Å; P291-V352 PolarHBondContact O-N 3.08Å; F293-V352 WeakPolarHBondContact CE2-O 3.3Å
353K97.1Very high90.8Very high77 Ų7752.7 Ų52.734%0.33528%0.279SS..  trans-116125.1-174.3-59-58.4-175.2178.10110.7V265 F293 S350 F351 P368V265-K353 HydrophobicContact CG2-CG 4.16Å; F293-K353 WeakPolarHBondContact CD2-O 3.46Å; F293-K353 VanDerWaalsContact CE2-C 3.48Å; S350-K353 VanDerWaalsContact CB-O 3.28Å; S350-K353 WeakPolarHBondContact CB-O 3.37Å; S350-K353 PolarHBondContact OG-O 3.3Å; F351-K353 PolarHBondContact O-N 3.45Å; K353-P368 HydrophobicContact CG-CG 4.11Å
354G93.6Very high92.3Very high8 Ų848.2 Ų48.28%0.08225%0.251CS..  trans-83.4164.6173.900000112.9F293F293-G354 VanDerWaalsContact CD1-CA 3.41Å; F293-G354 VanDerWaalsContact CE2-N 3.3Å
355W94.9Very high93.3Very high7 Ų749.1 Ų49.13%0.02726%0.255CS..  trans-144.3169.4174.978.9100000111.1F293 K295 V309 Q348 Y359 R361 I364F293-W355 HydrophobicContact CB-CE3 4.02Å; F293-W355 HydrophobicContact CB-CZ3 3.58Å; F293-W355 WeakPolarHBondContact O-CH2 3.4Å; F293-W355 VanDerWaalsContact O-CZ3 3.28Å; F293-W355 WeakPolarHBondContact O-CZ3 3.26Å; K295-W355 HydrophobicContact CB-CH2 3.98Å; K295-W355 HydrophobicContact CB-CZ2 3.46Å; K295-W355 VanDerWaalsContact CB-CZ2 3.46Å; K295-W355 HydrophobicContact CD-CZ2 4.14Å; K295-W355 HydrophobicContact CG-CZ2 4.43Å; V309-W355 WeakPolarHBondContact CB-O 3.47Å; V309-W355 HydrophobicContact CG1-CD2 4.14Å; V309-W355 HydrophobicContact CG1-CE3 3.89Å; V309-W355 HydrophobicContact CG1-CH2 4.02Å; V309-W355 HydrophobicContact CG1-CZ2 4.27Å; V309-W355 HydrophobicContact CG1-CZ3 3.82Å; V309-W355 HydrophobicContact CG2-CD2 4.05Å; V309-W355 HydrophobicContact CG2-CG 4.42Å; V309-W355 HydrophobicContact CG2-CH2 4.49Å; V309-W355 HydrophobicContact CG2-CZ2 3.92Å; V309-W355 VanDerWaalsContact CG2-O 3.23Å; V309-W355 WeakPolarHBondContact CG2-O 3.4Å; Q348-W355 HydrophobicContact CB-CH2 4.43Å; Q348-W355 HydrophobicContact CB-CZ2 4.26Å; W355-Y359 VanDerWaalsContact C-CD2 3.43Å; W355-Y359 WeakPolarHBondContact O-CD2 3.24Å; W355-R361 CarbonylContact C-O 3.54Å; W355-R361 WeakPolarHBondContact CA-O 3.27Å; W355-R361 HydrophobicContact CB-CB 3.95Å; W355-R361 WeakPolarHBondContact CB-O 3.37Å; W355-I364 HydrophobicContact CD2-CB 4.15Å; W355-I364 HydrophobicContact CD2-CG1 4.25Å; W355-I364 HydrophobicContact CE3-CG1 4.43Å; W355-I364 HydrophobicContact CG-CB 4.34Å; W355-I364 HydrophobicContact CH2-CD1 3.77Å; W355-I364 HydrophobicContact CH2-CG1 4.4Å; W355-I364 HydrophobicContact CZ2-CB 4.22Å; W355-I364 HydrophobicContact CZ2-CD1 3.71Å; W355-I364 HydrophobicContact CZ2-CG1 4.18Å; W355-I364 HydrophobicContact CZ3-CD1 4.24Å
356G88.7Confident93.6Very high13 Ų1350.8 Ų50.813%0.13427%0.267CS..SBendtrans102.2-169-177.700000112.4C358 Y359 R361G356-C358 PolarHBondContact O-N 3.07Å; G356-C358 VanDerWaalsContact O-N 3.13Å; G356-Y359 PolarHBondContact O-N 3.18Å; G356-Y359 VanDerWaalsContact O-O 3.12Å; G356-R361 PolarHBondContact N-O 3.39Å
357Q82Confident93.9Very high148 Ų14849.9 Ų49.969%0.69226%0.262SS*.THydrogen-bonded Turntrans-58.7-31.4-168.8-65.9174.3-2.300114Y359Q357-Y359 VanDerWaalsContact C-N 3.29Å; Q357-Y359 PolarHBondContact O-N 3.01Å
358C84.2Confident94Very high115 Ų11549.9 Ų49.978%0.77726%0.261SS*.THydrogen-bonded Turntrans-87.97.1179.9-53.70000113.6G356G356-C358 PolarHBondContact O-N 3.07Å; G356-C358 VanDerWaalsContact O-N 3.13Å
359Y89.4Confident94Very high69 Ų6947.8 Ų47.827%0.27125%0.252SS..SBendtrans-133.3159.9-173.5-59-85.8000111.3F293 W355 G356 Q357 R361 Q362F293-Y359 HydrophobicContact CD1-CE1 4.15Å; F293-Y359 AromaticContact CD1-CZ 3.82Å; F293-Y359 AromaticContact CE1-CE1 3.56Å; F293-Y359 HydrophobicContact CE1-CE1 3.56Å; F293-Y359 AromaticContact CE1-CZ 3.6Å; F293-Y359 VanDerWaalsContact CE1-OH 3.27Å; F293-Y359 WeakPolarHBondContact CE1-OH 3.4Å; F293-Y359 HydrophobicContact CZ-CE1 4.34Å; W355-Y359 VanDerWaalsContact C-CD2 3.43Å; W355-Y359 WeakPolarHBondContact O-CD2 3.24Å; G356-Y359 PolarHBondContact O-N 3.18Å; G356-Y359 VanDerWaalsContact O-O 3.12Å; Q357-Y359 VanDerWaalsContact C-N 3.29Å; Q357-Y359 PolarHBondContact O-N 3.01Å; Y359-R361 PolarHBondContact O-N 2.76Å; Y359-Q362 PolarHBondContact O-NE2 3.26Å
360T89.4Confident94Very high139 Ų13948.4 Ų48.485%0.85325%0.254SS*.SBendtrans-66.2-30.1175.853.60000112.4
361R92.3Very high94Very high66 Ų6648.4 Ų48.425%0.24925%0.254CS..  trans-86.1121.1176.5-61.9-179.4-175.4-65.4-13.3108.9L261 W355 G356 Y359 S366L261-R361 VanDerWaalsContact CD2-NH2 3.27Å; W355-R361 CarbonylContact C-O 3.54Å; W355-R361 WeakPolarHBondContact CA-O 3.27Å; W355-R361 HydrophobicContact CB-CB 3.95Å; W355-R361 WeakPolarHBondContact CB-O 3.37Å; G356-R361 PolarHBondContact N-O 3.39Å; Y359-R361 PolarHBondContact O-N 2.76Å; R361-S366 WeakPolarHBondContact CD-O 3.36Å; R361-S366 PolarHBondContact NH1-O 3.28Å
362Q91.7Very high94Very high100 Ų10050 Ų5047%0.46726%0.262SS..  trans-86.2-32.4179.6-62.6-52.5-47.700112.9Y359Y359-Q362 PolarHBondContact O-NE2 3.26Å
363F93.6Very high94Very high143 Ų14348.9 Ų48.963%0.62726%0.255SS*.SBendtrans-115148-176.7-56.4-77.8000111.4S365 S366F363-S365 PolarHBondContact O-N 3.47Å; F363-S366 VanDerWaalsContact O-CB 3.26Å; F363-S366 WeakPolarHBondContact O-CB 3.23Å; F363-S366 PolarHBondContact O-N 2.95Å
364I95.6Very high93.9Very high16 Ų1648.3 Ų48.38%0.08226%0.255CS..G310 helixtrans-63.1-31.2176.2-169.2165.6000112.2Q348 W355 S366 C367 W370Q348-I364 HydrophobicContact CB-CD1 3.54Å; Q348-I364 HydrophobicContact CG-CD1 3.95Å; W355-I364 HydrophobicContact CD2-CB 4.15Å; W355-I364 HydrophobicContact CD2-CG1 4.25Å; W355-I364 HydrophobicContact CE3-CG1 4.43Å; W355-I364 HydrophobicContact CG-CB 4.34Å; W355-I364 HydrophobicContact CH2-CD1 3.77Å; W355-I364 HydrophobicContact CH2-CG1 4.4Å; W355-I364 HydrophobicContact CZ2-CB 4.22Å; W355-I364 HydrophobicContact CZ2-CD1 3.71Å; W355-I364 HydrophobicContact CZ2-CG1 4.18Å; W355-I364 HydrophobicContact CZ3-CD1 4.24Å; I364-S366 PolarHBondContact O-N 2.88Å; I364-S366 VanDerWaalsContact O-N 3.14Å; I364-C367 WeakPolarHBondContact O-CA 3.39Å; I364-C367 WeakPolarHBondContact O-CB 3.36Å; I364-C367 PolarHBondContact O-N 3.13Å; I364-W370 HydrophobicContact CD1-CB 4.08Å; I364-W370 HydrophobicContact CD1-CD2 3.74Å; I364-W370 HydrophobicContact CD1-CE3 3.33Å; I364-W370 HydrophobicContact CD1-CG 4.08Å; I364-W370 HydrophobicContact CD1-CZ3 4Å; I364-W370 HydrophobicContact CG1-CB 4.04Å; I364-W370 HydrophobicContact CG1-CD2 3.6Å; I364-W370 HydrophobicContact CG1-CE3 3.72Å; I364-W370 HydrophobicContact CG1-CG 3.76Å; I364-W370 HydrophobicContact CG1-CZ3 4.39Å; I364-W370 HydrophobicContact CG2-CE3 4.41Å; I364-W370 HydrophobicContact CG2-CH2 4.28Å; I364-W370 HydrophobicContact CG2-CZ2 4.41Å; I364-W370 HydrophobicContact CG2-CZ3 4.26Å
365S96.6Very high93.9Very high36 Ų3648.2 Ų48.225%0.25225%0.252SS..G310 helixtrans-69.2-8.8175.961.40000113.6E221 F363 C367E221-S365 CarbonylContact C-O 3.6Å; E221-S365 VanDerWaalsContact CA-O 3.25Å; E221-S365 WeakPolarHBondContact CA-O 3.17Å; E221-S365 WeakPolarHBondContact O-CA 3.01Å; F363-S365 PolarHBondContact O-N 3.47Å; S365-C367 VanDerWaalsContact C-N 3.34Å
366S96.9Very high93.6Very high42 Ų4250.7 Ų50.729%0.29427%0.266SS..G310 helixtrans-84.2-8.7166-55.10000112.3R361 F363 I364R361-S366 WeakPolarHBondContact CD-O 3.36Å; R361-S366 PolarHBondContact NH1-O 3.28Å; F363-S366 VanDerWaalsContact O-CB 3.26Å; F363-S366 WeakPolarHBondContact O-CB 3.23Å; F363-S366 PolarHBondContact O-N 2.95Å; I364-S366 PolarHBondContact O-N 2.88Å; I364-S366 VanDerWaalsContact O-N 3.14Å
367C97.9Very high92.7Very high0 Ų052.6 Ų52.60%028%0.275CS..SBendtrans-79.2138.9178.8-68.90000111E221 S350 I364 S365 C369E221-C367 VanDerWaalsContact CA-O 3.28Å; E221-C367 WeakPolarHBondContact CA-O 3.41Å; E221-C367 PolarHBondContact N-O 3.17Å; S350-C367 VanDerWaalsContact OG-CB 3.3Å; S350-C367 WeakPolarHBondContact OG-CB 3.15Å; S350-C367 PolarHBondContact OG-SG 3.36Å; S350-C367 VanDerWaalsContact OG-SG 3.39Å; I364-C367 WeakPolarHBondContact O-CA 3.39Å; I364-C367 WeakPolarHBondContact O-CB 3.36Å; I364-C367 PolarHBondContact O-N 3.13Å; S365-C367 VanDerWaalsContact C-N 3.34Å; C367-C369 PolarHBondContact O-N 2.93Å
368P98.1Very high91.6Very high0 Ų058 Ų580%029%0.289CS..SBendtrans-64.9-37.7-175-23.635.4000113.9E220 E221 L261 V262 V265 K353E220-P368 VanDerWaalsContact CA-O 3.26Å; E220-P368 WeakPolarHBondContact CA-O 3.07Å; E221-P368 PolarHBondContact N-O 3.42Å; L261-P368 HydrophobicContact CD1-CG 4.47Å; L261-P368 HydrophobicContact CD2-CG 3.63Å; L261-P368 HydrophobicContact CG-CB 4.23Å; L261-P368 HydrophobicContact CG-CG 3.63Å; V262-P368 HydrophobicContact CB-CB 4.47Å; V262-P368 HydrophobicContact CG2-CB 3.88Å; V265-P368 HydrophobicContact CB-CB 4.04Å; V265-P368 HydrophobicContact CG1-CB 4.41Å; V265-P368 HydrophobicContact CG2-CB 3.94Å; V265-P368 HydrophobicContact CG2-CG 3.99Å; K353-P368 HydrophobicContact CG-CG 4.11Å
369C98.6Very high92Very high0 Ų055.2 Ų55.20%027%0.265CS..SBendtrans-143.2123.1-180-56.90000109.3Y218 W219 V265 R266 I269 F351 C367Y218-C369 HydrophobicContact CE2-CB 4.03Å; Y218-C369 PolarHBondContact OH-SG 2.89Å; W219-C369 WeakPolarHBondContact O-CA 3.44Å; V265-C369 HydrophobicContact CG1-CB 3.73Å; R266-C369 VanDerWaalsContact CG-SG 3.6Å; I269-C369 HydrophobicContact CD1-CB 4.3Å; F351-C369 HydrophobicContact CD2-CB 4.3Å; F351-C369 PolarHBondContact N-O 2.86Å; C367-C369 PolarHBondContact O-N 2.93Å
370W98.7Very high92.1Very high13 Ų1354.4 Ų54.45%0.04926%0.264CS..EExtended strand (participates in β ladder)trans-149.9164.2-179.663.5-80.3000112.1Y218 W219 E221 I349 I364 E372Y218-W370 WeakPolarHBondContact CD2-O 3.24Å; W219-W370 HydrophobicContact CB-CD2 3.67Å; W219-W370 HydrophobicContact CB-CE3 4.35Å; W219-W370 HydrophobicContact CB-CG 4.04Å; W219-W370 HydrophobicContact CB-CH2 4.21Å; W219-W370 HydrophobicContact CB-CZ2 3.51Å; W219-W370 VanDerWaalsContact CB-NE1 3.29Å; W219-W370 AromaticContact CD1-CE3 3.93Å; W219-W370 AromaticContact CD1-CH2 3.59Å; W219-W370 AromaticContact CD1-CZ2 3.81Å; W219-W370 AromaticContact CD1-CZ3 3.68Å; W219-W370 AromaticContact CD2-CH2 3.84Å; W219-W370 HydrophobicContact CD2-CH2 3.84Å; W219-W370 AromaticContact CD2-CZ2 3.65Å; W219-W370 HydrophobicContact CD2-CZ2 3.65Å; W219-W370 AromaticContact CE2-CH2 3.95Å; W219-W370 HydrophobicContact CE3-CZ2 4.07Å; W219-W370 HydrophobicContact CG-CD2 4.07Å; W219-W370 AromaticContact CG-CE2 3.62Å; W219-W370 HydrophobicContact CG-CE3 4.29Å; W219-W370 AromaticContact CG-CH2 3.65Å; W219-W370 HydrophobicContact CG-CH2 3.65Å; W219-W370 AromaticContact CG-CZ2 3.39Å; W219-W370 HydrophobicContact CG-CZ2 3.39Å; W219-W370 HydrophobicContact CG-CZ3 4.12Å; W219-W370 PolarHBondContact N-O 3.37Å; W219-W370 AromaticContact NE1-CH2 3.75Å; W219-W370 AromaticContact NE1-CZ3 3.99Å; W219-W370 PolarHBondContact O-N 3.46Å; E221-W370 PolarHBondContact O-NE1 3.5Å; I349-W370 CarbonylContact O-C 3.11Å; I349-W370 WeakPolarHBondContact O-CA 3.49Å; I349-W370 VanDerWaalsContact O-CB 3.3Å; I349-W370 WeakPolarHBondContact O-CB 3.16Å; I364-W370 HydrophobicContact CD1-CB 4.08Å; I364-W370 HydrophobicContact CD1-CD2 3.74Å; I364-W370 HydrophobicContact CD1-CE3 3.33Å; I364-W370 HydrophobicContact CD1-CG 4.08Å; I364-W370 HydrophobicContact CD1-CZ3 4Å; I364-W370 HydrophobicContact CG1-CB 4.04Å; I364-W370 HydrophobicContact CG1-CD2 3.6Å; I364-W370 HydrophobicContact CG1-CE3 3.72Å; I364-W370 HydrophobicContact CG1-CG 3.76Å; I364-W370 HydrophobicContact CG1-CZ3 4.39Å; I364-W370 HydrophobicContact CG2-CE3 4.41Å; I364-W370 HydrophobicContact CG2-CH2 4.28Å; I364-W370 HydrophobicContact CG2-CZ2 4.41Å; I364-W370 HydrophobicContact CG2-CZ3 4.26Å; W370-E372 HydrophobicContact CZ3-CB 3.9Å
371L98.8Very high92.3Very high0 Ų049.7 Ų49.70%023%0.232CC..EExtended strand (participates in β ladder)trans-119.2144.7178.9-59.4170.1000109.9V216 A217 Y218 I238 L250 I273 Q348 I349 F351V216-L371 HydrophobicContact CG1-CB 4.49Å; V216-L371 HydrophobicContact CG1-CD2 3.97Å; A217-L371 VanDerWaalsContact O-CA 3.3Å; A217-L371 WeakPolarHBondContact O-CA 3.3Å; Y218-L371 HydrophobicContact CD2-CD2 3.78Å; Y218-L371 HydrophobicContact CG-CD2 4.38Å; I238-L371 HydrophobicContact CD1-CD1 3.88Å; I238-L371 HydrophobicContact CG2-CD1 4.03Å; I238-L371 HydrophobicContact CG2-CD2 4.39Å; L250-L371 HydrophobicContact CD2-CD2 4.46Å; I273-L371 HydrophobicContact CD1-CD1 3.84Å; Q348-L371 WeakPolarHBondContact CA-O 3.44Å; I349-L371 HydrophobicContact CB-CB 4.31Å; I349-L371 PolarHBondContact N-O 2.87Å; I349-L371 PolarHBondContact O-N 3.1Å; F351-L371 HydrophobicContact CE2-CD1 3.81Å; F351-L371 HydrophobicContact CE2-CD2 4.31Å; F351-L371 HydrophobicContact CE2-CG 3.72Å; F351-L371 HydrophobicContact CZ-CD1 3.63Å; F351-L371 HydrophobicContact CZ-CG 4.1Å
372E98.1Very high92.3Very high35 Ų3548.8 Ų48.816%0.16423%0.231CC..EExtended strand (participates in β ladder)trans-113.8121.2163-168.4168.7-122.500108.1V216 A217 T346 W370 I374V216-E372 WeakPolarHBondContact CA-O 3.16Å; A217-E372 HydrophobicContact CB-CB 4.3Å; A217-E372 PolarHBondContact N-O 3.41Å; A217-E372 PolarHBondContact O-N 2.8Å; T346-E372 HydrophobicContact CG2-CG 3.47Å; T346-E372 VanDerWaalsContact CG2-CG 3.47Å; W370-E372 HydrophobicContact CZ3-CB 3.9Å; E372-I374 HydrophobicContact CG-CG1 4.19Å
373V98Very high92.3Very high0 Ų045.6 Ų45.60%022%0.216CC..EExtended strand (participates in β ladder)trans-110.7119.3177.9-174.20000107.7C214 V216 L275 T346 V347 I349 F375C214-V373 HydrophobicContact CB-CG1 4.13Å; V216-V373 HydrophobicContact CG1-CG2 4.38Å; V216-V373 HydrophobicContact CG2-CG1 4.33Å; V216-V373 HydrophobicContact CG2-CG2 4.33Å; L275-V373 HydrophobicContact CD2-CG1 3.94Å; T346-V373 CarbonylContact C-O 3.57Å; T346-V373 VanDerWaalsContact CA-O 3.28Å; T346-V373 WeakPolarHBondContact CA-O 3.37Å; V347-V373 HydrophobicContact CB-CB 4.34Å; V347-V373 PolarHBondContact N-O 3.36Å; V347-V373 PolarHBondContact O-N 3.12Å; I349-V373 HydrophobicContact CD1-CG2 4.35Å; V373-F375 HydrophobicContact CB-CZ 4.25Å; V373-F375 HydrophobicContact CG1-CD1 4.33Å; V373-F375 HydrophobicContact CG1-CE1 3.54Å; V373-F375 HydrophobicContact CG1-CE2 4.38Å; V373-F375 HydrophobicContact CG1-CZ 3.59Å
374I95.5Very high92.2Very high64 Ų6439.1 Ų39.133%0.32819%0.188SC..EExtended strand (participates in β ladder)trans-110.9121.4-175.4-55.3167.6000107.6C214 V215 T346 E372C214-I374 CarbonylContact C-O 3.56Å; C214-I374 WeakPolarHBondContact CA-O 3.44Å; C214-I374 VanDerWaalsContact CB-O 3.27Å; C214-I374 WeakPolarHBondContact CB-O 3.49Å; V215-I374 PolarHBondContact N-O 3.45Å; V215-I374 PolarHBondContact O-N 2.96Å; T346-I374 HydrophobicContact CG2-CG1 4.47Å; E372-I374 HydrophobicContact CG-CG1 4.19Å
375F93.3Very high92Very high6 Ų640.7 Ų40.73%0.02620%0.196CC..EExtended strand (participates in β ladder)trans-95.4139.7-178.8-55.6-69.1000111.4W213 C214 V282 F321 F345 V347 V373W213-F375 HydrophobicContact CE3-CD1 4.15Å; W213-F375 HydrophobicContact CE3-CE1 4.39Å; W213-F375 AromaticContact CZ3-CD1 4Å; W213-F375 HydrophobicContact CZ3-CD1 4Å; W213-F375 AromaticContact CZ3-CE1 3.77Å; W213-F375 HydrophobicContact CZ3-CE1 3.77Å; C214-F375 HydrophobicContact CB-CD1 3.6Å; C214-F375 HydrophobicContact CB-CE1 3.97Å; V282-F375 HydrophobicContact CB-CE1 4.13Å; V282-F375 HydrophobicContact CB-CZ 4.24Å; V282-F375 HydrophobicContact CG1-CE1 3.96Å; V282-F375 HydrophobicContact CG1-CZ 4.22Å; V282-F375 HydrophobicContact CG2-CD1 4.11Å; V282-F375 HydrophobicContact CG2-CE1 3.74Å; V282-F375 HydrophobicContact CG2-CZ 4.21Å; F321-F375 HydrophobicContact CB-CD2 4.28Å; F321-F375 HydrophobicContact CB-CE2 3.65Å; F321-F375 HydrophobicContact CB-CZ 3.92Å; F321-F375 AromaticContact CD1-CD2 3.66Å; F321-F375 HydrophobicContact CD1-CD2 3.66Å; F321-F375 AromaticContact CD1-CE2 3.92Å; F321-F375 HydrophobicContact CD1-CE2 3.92Å; F321-F375 HydrophobicContact CD1-CG 4.02Å; F321-F375 HydrophobicContact CD1-CZ 4.49Å; F321-F375 AromaticContact CD2-CD2 3.63Å; F321-F375 HydrophobicContact CD2-CD2 3.63Å; F321-F375 AromaticContact CD2-CE2 3.57Å; F321-F375 HydrophobicContact CD2-CE2 3.57Å; F321-F375 HydrophobicContact CE1-CB 4.17Å; F321-F375 AromaticContact CE1-CD2 3.78Å; F321-F375 HydrophobicContact CE1-CD2 3.78Å; F321-F375 HydrophobicContact CE1-CE2 4.47Å; F321-F375 HydrophobicContact CE1-CG 4.03Å; F321-F375 AromaticContact CE2-CD2 3.75Å; F321-F375 HydrophobicContact CE2-CD2 3.75Å; F321-F375 HydrophobicContact CE2-CE2 4.16Å; F321-F375 AromaticContact CG-CD2 3.57Å; F321-F375 HydrophobicContact CG-CD2 3.57Å; F321-F375 AromaticContact CG-CE2 3.42Å; F321-F375 HydrophobicContact CG-CE2 3.42Å; F321-F375 VanDerWaalsContact CG-CE2 3.42Å; F321-F375 HydrophobicContact CG-CG 4.35Å; F321-F375 HydrophobicContact CG-CZ 4.11Å; F321-F375 HydrophobicContact CZ-CB 4.42Å; F321-F375 AromaticContact CZ-CD2 3.82Å; F321-F375 HydrophobicContact CZ-CD2 3.82Å; F321-F375 HydrophobicContact CZ-CG 4.38Å; F345-F375 HydrophobicContact CD1-CB 4.39Å; F345-F375 VanDerWaalsContact O-CD2 3.29Å; F345-F375 WeakPolarHBondContact O-CD2 3.28Å; F345-F375 PolarHBondContact O-N 2.94Å; V347-F375 HydrophobicContact CB-CE2 3.96Å; V347-F375 HydrophobicContact CB-CZ 4.23Å; V347-F375 HydrophobicContact CG2-CE2 3.53Å; V347-F375 HydrophobicContact CG2-CZ 3.99Å; V373-F375 HydrophobicContact CB-CZ 4.25Å; V373-F375 HydrophobicContact CG1-CD1 4.33Å; V373-F375 HydrophobicContact CG1-CE1 3.54Å; V373-F375 HydrophobicContact CG1-CE2 4.38Å; V373-F375 HydrophobicContact CG1-CZ 3.59Å
376N87.4Confident91.6Very high60 Ų6041.1 Ų41.132%0.32119%0.192SC..PPolyproline II helixtrans-77.1130.1172.9-72.3-12.3000109.8H212 W213 R378H212-N376 PolarHBondContact CD2-ND2 2.98Å; H212-N376 PolarHBondContact NE2-ND2 2.91Å; H212-N376 PolarHBondContact O-ND2 2.95Å; W213-N376 PolarHBondContact O-N 2.71Å; W213-N376 VanDerWaalsContact O-N 3.16Å; N376-R378 PolarHBondContact O-N 3.07Å
377T71.6Confident91.2Very high53 Ų5341 Ų4133%0.32518%0.183SC..PPolyproline II helixtrans-66.5127.5163.446.50000107.2R342 F345R342-T377 PolarHBondContact NH1-OG1 3.35Å; F345-T377 HydrophobicContact CD1-CG2 3.73Å; F345-T377 HydrophobicContact CD2-CG2 4.2Å; F345-T377 HydrophobicContact CE1-CG2 3.48Å; F345-T377 VanDerWaalsContact CE1-CG2 3.48Å; F345-T377 HydrophobicContact CE2-CG2 3.99Å; F345-T377 HydrophobicContact CG-CG2 4.1Å; F345-T377 HydrophobicContact CZ-CG2 3.62Å
378R58Low90.5Very high261 Ų26144.7 Ų44.799%0.98520%0.2SC*.  trans-55.20179-71.2-173.2-173.4-172.24.3112.3N376N376-R378 PolarHBondContact O-N 3.07Å

Retrieved 378 of 378 residues in 141.3 ms (Link to these results)