A0A087Y8V7_POEFO Loading...

Sphingolipid delta(4)-desaturase DES1

Has sphingolipid-delta-4-desaturase activity. Converts D-erythro-sphinganine to D-erythro-sphingosine (E-sphing-4-enine). Catalyzes the equilibrium isomerization of retinols.

AlphaFold DB , UniProt , Accession A0A087Y8V7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 339 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
1N34Very low34.8Very low216 Ų216152.2 Ų152.2100%1.15584%0.838SS**  0106.80-69.2-8.9000109
2K34.2Very low34.8Very low190 Ų190151.8 Ų151.883%0.82684%0.844SS**  cis-140.6130.311.7-80.5173.9170.4178.80107.7
3A35.8Very low34.9Very low108 Ų108147.3 Ų147.389%0.89384%0.838SS**  trans-72.6120.7157.900000107.1
4V38.5Very low35Very low125 Ų125148.1 Ų148.176%0.75884%0.837SS**  trans-101.2102.3170.31800000106.2
5G29.5Very low35Very low58 Ų58150.6 Ų150.660%0.59884%0.839SS**  trans-68147.2177.800000111.5G7G5-G7 PolarHBondContact O-N 3Å
6V39.8Very low35Very low156 Ų156150.8 Ų150.895%0.94583%0.828SS**THydrogen-bonded Turntrans-68.320.3178.7-179.70000112.4
7G34.4Very low35.3Very low62 Ų62154.1 Ų154.164%0.63984%0.84SS**THydrogen-bonded Turntrans-95.6-9.2-170.900000116.7G5G5-G7 PolarHBondContact O-N 3Å
8E32.3Very low35.6Very low184 Ų184148.3 Ų148.386%0.8682%0.822SS**SBendtrans-111.421.5-164.8-105.9179.7173.600115.9
9R35.6Very low36.1Very low252 Ų252148.5 Ų148.595%0.95182%0.821SS**SBendtrans-114.228171.1-65.4-167.2-146.6-159.75.9114.1
10L35.9Very low36.7Very low156 Ų156149.6 Ų149.682%0.81781%0.813SS**  trans-111.69.5-175.7-114.3143.3000114.8
11H32.8Very low37.5Very low167 Ų167145.6 Ų145.677%0.77379%0.793SS**SBendtrans-110.411.9-173.2-116.3-50.6000117.2
12T35.4Very low38.8Very low148 Ų148137 Ų13791%0.90876%0.756SS**SBendtrans-133.257.7176.5-31.90000112.1
13A35.4Very low40.9Very low93 Ų93130.6 Ų130.677%0.76973%0.726SS**  trans-149.534.8172.400000113
14L36.4Very low43.4Very low159 Ų159133.2 Ų133.283%0.83272%0.72SS**  trans-9720.3179.8-89.4168.3000114.8
15E35.3Very low46Very low185 Ų185131 Ų13186%0.86470%0.703SS**SBendtrans-13381.1170.4-75.2-172.315600110.8
16K34.8Very low49.2Very low153 Ų153128.8 Ų128.867%0.66568%0.677SS**  trans-179.981.1145.9-98.8167.2-1671800109.2G18K16-G18 VanDerWaalsContact C-N 3.26Å; K16-G18 PolarHBondContact O-N 3.1Å
17M40.7Very low51.8Low207 Ų207123.6 Ų123.6100%1.0264%0.643SS**  trans-73.285.3163.9-74.4179.863.100109.5
18G39.3Very low54.8Low51 Ų51124.4 Ų124.453%0.52663%0.627SS.*SBendtrans-143.5140.2155.800000105.9K16 R20K16-G18 VanDerWaalsContact C-N 3.26Å; K16-G18 PolarHBondContact O-N 3.1Å; G18-R20 PolarHBondContact O-N 2.7Å
19N45.5Very low57.7Low151 Ų151117 Ų11781%0.80759%0.594SS**  trans-53.191.5172.3-89.4-18.2000108.9V21N19-V21 PolarHBondContact O-N 3.17Å
20R48.8Very low60.4Low171 Ų171113.5 Ų113.565%0.64558%0.582SS**  trans-79.9114.3173.2-81.4179.8164.7-160-13.4106.2G18 G22G18-R20 PolarHBondContact O-N 2.7Å; R20-G22 PolarHBondContact O-N 3.3Å
21V52.2Low63Low66 Ų66110.6 Ų110.640%0.457%0.571SS.*  trans-63.4113.1166.4-178.70000106N19 R23 E24 C170N19-V21 PolarHBondContact O-N 3.17Å; V21-R23 VanDerWaalsContact CG1-O 3.3Å; V21-R23 WeakPolarHBondContact CG1-O 2.95Å; V21-R23 PolarHBondContact O-N 3.39Å; V21-E24 HydrophobicContact CG1-CG 4.24Å; V21-C170 HydrophobicContact CG1-CB 4.1Å
22G61.6Low65.7Low36 Ų36108 Ų10837%0.37156%0.562SS.*SBendtrans-59.7-32.2-173.400000114.1R20 D320R20-G22 PolarHBondContact O-N 3.3Å; G22-D320 VanDerWaalsContact CA-O 3.24Å; G22-D320 WeakPolarHBondContact CA-O 3.44Å; G22-D320 PolarHBondContact N-O 2.77Å
23R79.3Confident68.4Low55 Ų55101.9 Ų101.921%0.20852%0.524CS..  trans-151.5138.1176.5-70.6-179.2-178.1-112.9-3.6110.3V21 E27 Y325V21-R23 VanDerWaalsContact CG1-O 3.3Å; V21-R23 WeakPolarHBondContact CG1-O 2.95Å; V21-R23 PolarHBondContact O-N 3.39Å; R23-E27 IonicContact CZ-OE2 3.18Å; R23-E27 IonicContact NH1-OE2 2.68Å; R23-E27 PolarHBondContact NH1-OE2 3.07Å; R23-E27 IonicContact NH2-OE2 3.73Å; R23-Y325 VanDerWaalsContact O-CD2 3.29Å; R23-Y325 WeakPolarHBondContact O-CD2 3.42Å
24E87.9Confident71.2Confident163 Ų16399.6 Ų99.676%0.76250%0.501SS*.SBendtrans-101.5-8.7176.2-63.2-178.1171.800113.1V21 Y325V21-E24 HydrophobicContact CG1-CG 4.24Å; E24-Y325 WeakPolarHBondContact O-CE2 3.48Å
25D93.8Very high74.1Confident77 Ų7792 Ų9241%0.41246%0.462SS..SBendtrans-151.5166.2179.2-168.510.4000109.7W28D25-W28 PolarHBondContact OD1-NE1 3.49Å; D25-W28 PolarHBondContact OD2-NE1 3.03Å; D25-W28 VanDerWaalsContact OD2-NE1 3.15Å
26Y95.6Very high76.9Confident12 Ų1284.8 Ų84.85%0.04743%0.433CS..  trans-68.7163.1172.6-49.3-83.5000112.1W28 I160 P161 T162 D163 Y325 R327 K329Y26-W28 PolarHBondContact O-N 3.41Å; Y26-I160 HydrophobicContact CD1-CG2 4.08Å; Y26-I160 HydrophobicContact CE1-CG2 3.7Å; Y26-P161 PolarHBondContact OH-O 3.27Å; Y26-T162 PolarHBondContact OH-O 2.68Å; Y26-D163 VanDerWaalsContact CE2-OD1 3.27Å; Y26-D163 WeakPolarHBondContact CE2-OD1 3.41Å; Y26-D163 PolarHBondContact OH-N 2.6Å; Y26-D163 VanDerWaalsContact OH-N 3.16Å; Y26-Y325 AromaticContact CD1-CD1 3.87Å; Y26-Y325 HydrophobicContact CD1-CD1 3.87Å; Y26-Y325 HydrophobicContact CD2-CD1 4.02Å; Y26-Y325 HydrophobicContact CD2-CE1 4.22Å; Y26-Y325 AromaticContact CE1-CD1 3.71Å; Y26-Y325 HydrophobicContact CE1-CD1 3.71Å; Y26-Y325 HydrophobicContact CE1-CE1 4.29Å; Y26-Y325 AromaticContact CE2-CD1 3.86Å; Y26-Y325 HydrophobicContact CE2-CD1 3.86Å; Y26-Y325 AromaticContact CE2-CE1 3.76Å; Y26-Y325 HydrophobicContact CE2-CE1 3.76Å; Y26-Y325 HydrophobicContact CG-CD1 4.04Å; Y26-Y325 AromaticContact CZ-CD1 3.69Å; Y26-Y325 AromaticContact CZ-CE1 3.79Å; Y26-R327 HydrophobicContact CD1-CB 4.13Å; Y26-K329 HydrophobicContact CD1-CD 3.9Å; Y26-K329 HydrophobicContact CD1-CG 4.19Å; Y26-K329 HydrophobicContact CD2-CD 3.24Å; Y26-K329 HydrophobicContact CD2-CG 4.2Å; Y26-K329 HydrophobicContact CE1-CD 4.27Å; Y26-K329 HydrophobicContact CE2-CD 3.68Å; Y26-K329 HydrophobicContact CG-CD 3.34Å; Y26-K329 HydrophobicContact CG-CG 3.81Å
27E95.6Very high79.8Confident48 Ų4882 Ų8222%0.22443%0.425CS..EExtended strand (participates in β ladder)trans-81.6108.9169.3-168.684.6-16500109.9R23 M251 K254 R327 I328 K329R23-E27 IonicContact CZ-OE2 3.18Å; R23-E27 IonicContact NH1-OE2 2.68Å; R23-E27 PolarHBondContact NH1-OE2 3.07Å; R23-E27 IonicContact NH2-OE2 3.73Å; E27-M251 HydrophobicContact CB-CE 3.46Å; E27-M251 VanDerWaalsContact CB-CE 3.46Å; E27-M251 HydrophobicContact CB-SD 4.37Å; E27-M251 HydrophobicContact CG-CE 3.9Å; E27-M251 HydrophobicContact CG-SD 4.35Å; E27-K254 WeakPolarHBondContact OE1-CE 3.23Å; E27-K254 IonicContact OE1-NZ 2.75Å; E27-R327 PolarHBondContact N-O 3.41Å; E27-I328 HydrophobicContact CB-CG1 4.32Å; E27-I328 CarbonylContact O-C 3.25Å; E27-I328 WeakPolarHBondContact O-CA 3.4Å; E27-K329 PolarHBondContact O-N 3.4Å
28W95.9Very high82.5Confident79 Ų7973.6 Ų73.630%0.29938%0.382SS..EExtended strand (participates in β ladder)trans-84.6124.3176.8-69.392.6000111.8D25 Y26 D154 K329 K331D25-W28 PolarHBondContact OD1-NE1 3.49Å; D25-W28 PolarHBondContact OD2-NE1 3.03Å; D25-W28 VanDerWaalsContact OD2-NE1 3.15Å; Y26-W28 PolarHBondContact O-N 3.41Å; W28-D154 HydrophobicContact CH2-CB 4Å; W28-D154 HydrophobicContact CZ3-CB 4.01Å; W28-K329 WeakPolarHBondContact CA-O 3.44Å; W28-K329 HydrophobicContact CD2-CB 4.02Å; W28-K329 HydrophobicContact CE3-CB 3.78Å; W28-K329 HydrophobicContact CH2-CB 4.08Å; W28-K329 HydrophobicContact CH2-CD 4.17Å; W28-K329 HydrophobicContact CZ2-CB 4.27Å; W28-K329 HydrophobicContact CZ2-CD 4.05Å; W28-K329 HydrophobicContact CZ3-CB 3.81Å; W28-K331 HydrophobicContact CZ3-CG 4.17Å
29V94.4Very high85.3Confident29 Ų2975.3 Ų75.318%0.17637%0.373CS..EExtended strand (participates in β ladder)trans-118.3153.4174.9-57.60000111.7I328 K329 R330V29-I328 HydrophobicContact CB-CG2 4.22Å; V29-I328 HydrophobicContact CG1-CD1 4.38Å; V29-I328 HydrophobicContact CG1-CG2 3.77Å; V29-I328 HydrophobicContact CG2-CG2 3.43Å; V29-I328 VanDerWaalsContact CG2-CG2 3.43Å; V29-K329 PolarHBondContact N-O 3.37Å; V29-R330 HydrophobicContact CG2-CB 4.02Å
30Y90.8Very high87.8Confident177 Ų17775.5 Ų75.569%0.69437%0.367SS*.  trans-111.96.9-178.8-59.2-81.1000113.3K333Y30-K333 PolarHBondContact O-NZ 2.94Å; Y30-K333 VanDerWaalsContact O-NZ 3.16Å
31T90.6Very high90.1Very high95 Ų9572.5 Ų72.558%0.58336%0.36SS*.SBendtrans-94.8156.7173.656.80000110.7
32D90.2Very high92.3Very high112 Ų11269.3 Ų69.360%0.59934%0.341SS*.PPolyproline II helixtrans-71167.1170.6-64.5-34.3000110.9
33Q91.6Very high94.1Very high21 Ų2169.3 Ų69.310%0.09833%0.332CS..PPolyproline II helixtrans-70.5139.1179.263.3106-2000111.5H35 H148 L151Q33-H35 VanDerWaalsContact C-N 3.27Å; Q33-H35 PolarHBondContact O-N 2.73Å; Q33-H35 PolarHBondContact OE1-CD2 3.42Å; Q33-H35 VanDerWaalsContact OE1-N 3.12Å; Q33-H148 PolarHBondContact NE2-O 2.89Å; Q33-L151 HydrophobicContact CB-CB 4.14Å; Q33-L151 HydrophobicContact CB-CD2 4.46Å; Q33-L151 HydrophobicContact CG-CB 4.45Å
34P94.5Very high95Very high45 Ų4570.8 Ų70.829%0.29236%0.356SS..Hα-helixtrans-70.8-19.7-164.727.1-36.8000114.1A36 R38 E257P34-A36 PolarHBondContact O-N 2.98Å; P34-R38 WeakPolarHBondContact O-CB 3.42Å; P34-R38 PolarHBondContact O-N 2.88Å; P34-R38 VanDerWaalsContact O-N 3.08Å; P34-E257 WeakPolarHBondContact CD-OE1 3.33Å; P34-E257 HydrophobicContact CG-CG 4.28Å
35H97.3Very high95.5Very high0 Ų068.5 Ų68.50%034%0.344CS..Hα-helixtrans-73-31.4-170.9-55.4-74.9000113Q33 R38 R39 T258 H279 D280Q33-H35 VanDerWaalsContact C-N 3.27Å; Q33-H35 PolarHBondContact O-N 2.73Å; Q33-H35 PolarHBondContact OE1-CD2 3.42Å; Q33-H35 VanDerWaalsContact OE1-N 3.12Å; H35-R38 PolarHBondContact CE1-NH2 3.31Å; H35-R38 VanDerWaalsContact CE1-NH2 3.28Å; H35-R38 PolarHBondContact ND1-NH2 3.13Å; H35-R39 WeakPolarHBondContact O-CB 3.36Å; H35-R39 PolarHBondContact O-N 3.02Å; H35-T258 PolarHBondContact CE1-OG1 3.15Å; H35-T258 WeakPolarHBondContact NE2-CB 3.45Å; H35-T258 PolarHBondContact NE2-OG1 3.21Å; H35-H279 HydrophobicContact CB-CB 4.19Å; H35-H279 AromaticContact CD2-ND1 3.9Å; H35-H279 WeakPolarHBondContact CE1-CB 3.46Å; H35-H279 VanDerWaalsContact CG-CB 3.47Å; H35-H279 VanDerWaalsContact ND1-CB 3.31Å; H35-H279 WeakPolarHBondContact ND1-CB 3.35Å; H35-H279 AromaticContact NE2-CG 3.83Å; H35-H279 AromaticContact NE2-ND1 3.95Å; H35-D280 VanDerWaalsContact CA-OD1 3.24Å; H35-D280 WeakPolarHBondContact CA-OD1 3.46Å; H35-D280 VanDerWaalsContact CB-OD1 3.22Å; H35-D280 WeakPolarHBondContact CB-OD1 3.42Å; H35-D280 IonicContact CE1-OD1 3.1Å; H35-D280 IonicContact CG-OD1 3.91Å; H35-D280 IonicContact ND1-OD1 3.84Å; H35-D280 PolarHBondContact ND1-OD1 3.21Å
36A94.3Very high95.7Very high33 Ų3367.1 Ų67.127%0.27333%0.333SS..Hα-helixtrans-65.6-45.4179.300000111.9P34 K40P34-A36 PolarHBondContact O-N 2.98Å; A36-K40 PolarHBondContact O-N 3.5Å
37D95.6Very high95.8Very high93 Ų9369.8 Ų69.850%0.49735%0.351SS..Hα-helixtrans-70.4-47.1178.8-70.6-26.3000111R39 K40 E41D37-R39 VanDerWaalsContact C-N 3.34Å; D37-R39 PolarHBondContact O-N 2.94Å; D37-K40 WeakPolarHBondContact O-CA 3.23Å; D37-K40 WeakPolarHBondContact O-CB 3.46Å; D37-K40 PolarHBondContact O-N 3.02Å; D37-E41 PolarHBondContact O-N 3.12Å
38R97.5Very high95.9Very high31 Ų3172 Ų7212%0.11736%0.362CS..Hα-helixtrans-60.6-41.6177.6-170.1163.663.9-127.35.6112.4P34 H35 K40 E41 I42 N276 D280 Y299P34-R38 WeakPolarHBondContact O-CB 3.42Å; P34-R38 PolarHBondContact O-N 2.88Å; P34-R38 VanDerWaalsContact O-N 3.08Å; H35-R38 PolarHBondContact CE1-NH2 3.31Å; H35-R38 VanDerWaalsContact CE1-NH2 3.28Å; H35-R38 PolarHBondContact ND1-NH2 3.13Å; R38-K40 VanDerWaalsContact C-N 3.32Å; R38-K40 PolarHBondContact O-N 2.86Å; R38-E41 PolarHBondContact O-N 3.08Å; R38-I42 HydrophobicContact CG-CD1 3.76Å; R38-I42 HydrophobicContact CG-CG1 4.32Å; R38-I42 WeakPolarHBondContact O-CB 3.47Å; R38-I42 VanDerWaalsContact O-CG1 3.24Å; R38-I42 WeakPolarHBondContact O-CG1 3.15Å; R38-I42 PolarHBondContact O-N 3.24Å; R38-N276 PolarHBondContact NH2-OD1 2.87Å; R38-D280 IonicContact CZ-OD1 3.82Å; R38-D280 IonicContact CZ-OD2 3.98Å; R38-D280 IonicContact NE-OD1 3.3Å; R38-D280 PolarHBondContact NE-OD1 3.23Å; R38-D280 IonicContact NE-OD2 2.71Å; R38-D280 PolarHBondContact NE-OD2 3.09Å; R38-D280 IonicContact NH2-OD1 2.87Å; R38-D280 PolarHBondContact NH2-OD1 2.71Å; R38-D280 IonicContact NH2-OD2 3.88Å; R38-D280 PolarHBondContact NH2-OD2 3.05Å; R38-D280 VanDerWaalsContact NH2-OD2 3.15Å; R38-Y299 HydrophobicContact CG-CD1 3.85Å
39R97.9Very high96Very high87 Ų8768.3 Ų68.333%0.32835%0.348SS..Hα-helixtrans-56.2-45.9171.6-179.1-172.556.1-105.91.5111.4H35 D37 L43 D280 F281H35-R39 WeakPolarHBondContact O-CB 3.36Å; H35-R39 PolarHBondContact O-N 3.02Å; D37-R39 VanDerWaalsContact C-N 3.34Å; D37-R39 PolarHBondContact O-N 2.94Å; R39-L43 HydrophobicContact CG-CD1 3.93Å; R39-L43 HydrophobicContact CG-CG 4.35Å; R39-L43 WeakPolarHBondContact O-CB 3.39Å; R39-L43 VanDerWaalsContact O-CG 3.28Å; R39-L43 WeakPolarHBondContact O-CG 3.4Å; R39-L43 PolarHBondContact O-N 2.85Å; R39-D280 WeakPolarHBondContact CB-O 3.42Å; R39-D280 WeakPolarHBondContact CD-O 3.44Å; R39-D280 VanDerWaalsContact CG-O 3.26Å; R39-D280 WeakPolarHBondContact CG-O 3.43Å; R39-F281 HydrophobicContact CG-CD1 4.02Å; R39-F281 HydrophobicContact CG-CE1 3.6Å; R39-F281 HydrophobicContact CG-CZ 4.03Å
40K97.9Very high96.1Very high155 Ų15572.7 Ų72.767%0.67437%0.365SS*.Hα-helixtrans-62.9-46-178.4-178.5-174.7174.8-1720111.3A36 D37 R38 L43 A44A36-K40 PolarHBondContact O-N 3.5Å; D37-K40 WeakPolarHBondContact O-CA 3.23Å; D37-K40 WeakPolarHBondContact O-CB 3.46Å; D37-K40 PolarHBondContact O-N 3.02Å; R38-K40 VanDerWaalsContact C-N 3.32Å; R38-K40 PolarHBondContact O-N 2.86Å; K40-L43 PolarHBondContact O-N 3.47Å; K40-A44 PolarHBondContact O-N 3.26Å; K40-A44 VanDerWaalsContact O-N 3.11Å
41E98.3Very high96.5Very high108 Ų10868.6 Ų68.651%0.50536%0.362SS..Hα-helixtrans-62.7-49177.6-69.2176.5-176.400111.8D37 R38 L43 A44 K45 Y299D37-E41 PolarHBondContact O-N 3.12Å; R38-E41 PolarHBondContact O-N 3.08Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 3.19Å; E41-A44 WeakPolarHBondContact O-CB 3.3Å; E41-A44 PolarHBondContact O-N 3.34Å; E41-A44 VanDerWaalsContact O-N 3.15Å; E41-K45 PolarHBondContact O-N 3.12Å; E41-K45 VanDerWaalsContact O-N 3.09Å; E41-Y299 HydrophobicContact CB-CE1 4.06Å
42I98.5Very high96.8Very high0 Ų064.9 Ų64.90%034%0.338CS..Hα-helixtrans-59.6-44.5177.9-69.9171.8000110.7R38 A44 K45 Y46 I49 F281 A296 Y299 Y300R38-I42 HydrophobicContact CG-CD1 3.76Å; R38-I42 HydrophobicContact CG-CG1 4.32Å; R38-I42 WeakPolarHBondContact O-CB 3.47Å; R38-I42 VanDerWaalsContact O-CG1 3.24Å; R38-I42 WeakPolarHBondContact O-CG1 3.15Å; R38-I42 PolarHBondContact O-N 3.24Å; I42-A44 VanDerWaalsContact C-N 3.28Å; I42-A44 PolarHBondContact O-N 3.44Å; I42-K45 PolarHBondContact O-N 3.01Å; I42-Y46 HydrophobicContact CG2-CD2 4.41Å; I42-Y46 WeakPolarHBondContact O-CA 3.47Å; I42-Y46 PolarHBondContact O-N 2.76Å; I42-I49 HydrophobicContact CG2-CD1 3.31Å; I42-F281 HydrophobicContact CB-CE2 4.36Å; I42-F281 HydrophobicContact CB-CZ 3.9Å; I42-F281 HydrophobicContact CD1-CE2 4.02Å; I42-F281 HydrophobicContact CD1-CZ 4.41Å; I42-F281 HydrophobicContact CG2-CE2 3.91Å; I42-F281 HydrophobicContact CG2-CZ 3.51Å; I42-A296 HydrophobicContact CD1-CB 4.41Å; I42-A296 HydrophobicContact CG1-CB 4.36Å; I42-A296 HydrophobicContact CG2-CB 4.06Å; I42-Y299 HydrophobicContact CD1-CD1 4.12Å; I42-Y299 HydrophobicContact CD1-CD2 4.14Å; I42-Y299 HydrophobicContact CD1-CG 3.79Å; I42-Y299 HydrophobicContact CG1-CD1 3.76Å; I42-Y299 HydrophobicContact CG1-CD2 3.62Å; I42-Y299 HydrophobicContact CG1-CE1 3.87Å; I42-Y299 HydrophobicContact CG1-CE2 3.72Å; I42-Y299 HydrophobicContact CG1-CG 3.61Å; I42-Y300 HydrophobicContact CD1-CE2 4.15Å; I42-Y300 WeakPolarHBondContact CD1-OH 3.38Å
43L98.3Very high97.1Very high36 Ų3662.5 Ų62.519%0.18832%0.324CS..Hα-helixtrans-67.6-26.8179.3-75.1178.2000113.7R39 K40 E41 P47 K50 M53 F281R39-L43 HydrophobicContact CG-CD1 3.93Å; R39-L43 HydrophobicContact CG-CG 4.35Å; R39-L43 WeakPolarHBondContact O-CB 3.39Å; R39-L43 VanDerWaalsContact O-CG 3.28Å; R39-L43 WeakPolarHBondContact O-CG 3.4Å; R39-L43 PolarHBondContact O-N 2.85Å; K40-L43 PolarHBondContact O-N 3.47Å; E41-L43 VanDerWaalsContact C-N 3.34Å; E41-L43 PolarHBondContact O-N 3.19Å; L43-P47 WeakPolarHBondContact O-CA 3.3Å; L43-K50 HydrophobicContact CD2-CD 4.47Å; L43-K50 HydrophobicContact CD2-CG 3.74Å; L43-M53 HydrophobicContact CD2-CE 4.47Å; L43-F281 HydrophobicContact CD1-CE1 4.26Å; L43-F281 HydrophobicContact CD2-CE1 3.76Å; L43-F281 HydrophobicContact CD2-CZ 4.45Å; L43-F281 HydrophobicContact CG-CE1 3.78Å; L43-F281 HydrophobicContact CG-CZ 4.32Å
44A98.4Very high97.2Very high85 Ų8562.8 Ų62.870%0.70233%0.333SS*.Hα-helixtrans-72.4-3817400000111.3K40 E41 I42K40-A44 PolarHBondContact O-N 3.26Å; K40-A44 VanDerWaalsContact O-N 3.11Å; E41-A44 WeakPolarHBondContact O-CB 3.3Å; E41-A44 PolarHBondContact O-N 3.34Å; E41-A44 VanDerWaalsContact O-N 3.15Å; I42-A44 VanDerWaalsContact C-N 3.28Å; I42-A44 PolarHBondContact O-N 3.44Å
45K98.4Very high97.3Very high116 Ų11663.3 Ų63.350%0.50434%0.336SS..Hα-helixtrans-84.9-36.9-178.5-167174.9-179.8-169.80113.9E41 I42 E298 Y299E41-K45 PolarHBondContact O-N 3.12Å; E41-K45 VanDerWaalsContact O-N 3.09Å; I42-K45 PolarHBondContact O-N 3.01Å; K45-E298 WeakPolarHBondContact CE-OE1 3.4Å; K45-E298 IonicContact NZ-OE1 2.66Å; K45-E298 PolarHBondContact NZ-OE1 3Å; K45-Y299 HydrophobicContact CD-CE2 4.42Å
46Y98.2Very high97.3Very high47 Ų4764 Ų6418%0.18434%0.34CS..  trans-129.264.7-174.6-57.8-68.6000111.2I42 E48 I49 A296 E298 Y299I42-Y46 HydrophobicContact CG2-CD2 4.41Å; I42-Y46 WeakPolarHBondContact O-CA 3.47Å; I42-Y46 PolarHBondContact O-N 2.76Å; Y46-E48 WeakPolarHBondContact CA-OE2 3.42Å; Y46-E48 PolarHBondContact O-N 3.35Å; Y46-E48 VanDerWaalsContact O-N 3.09Å; Y46-I49 WeakPolarHBondContact O-CB 3.49Å; Y46-I49 PolarHBondContact O-N 3.36Å; Y46-I49 VanDerWaalsContact O-N 3.1Å; Y46-A296 HydrophobicContact CD2-CB 3.81Å; Y46-A296 HydrophobicContact CE2-CB 3.94Å; Y46-E298 VanDerWaalsContact CE2-OE1 3.26Å; Y46-E298 WeakPolarHBondContact CE2-OE1 3.45Å; Y46-E298 PolarHBondContact OH-OE1 3.43Å; Y46-Y299 HydrophobicContact CE2-CE2 4.15Å
47P97.7Very high97.3Very high68 Ų6872.3 Ų72.344%0.44236%0.364SS..G310 helixtrans-58.2-25-177.725.1-35.6000113.7L43 I49 K50L43-P47 WeakPolarHBondContact O-CA 3.3Å; P47-I49 PolarHBondContact O-N 2.99Å; P47-K50 WeakPolarHBondContact O-CB 3.47Å; P47-K50 WeakPolarHBondContact O-CG 3.41Å; P47-K50 PolarHBondContact O-N 3.19Å; P47-K50 VanDerWaalsContact O-N 3.16Å
48E97.7Very high97.3Very high96 Ų9674.5 Ų74.545%0.44937%0.366SS..G310 helixtrans-61.5-19.417765.2-91.3-154.100113.8Y46 K50 S51 M295Y46-E48 WeakPolarHBondContact CA-OE2 3.42Å; Y46-E48 PolarHBondContact O-N 3.35Å; Y46-E48 VanDerWaalsContact O-N 3.09Å; E48-K50 PolarHBondContact O-N 3.46Å; E48-K50 VanDerWaalsContact O-N 3.14Å; E48-S51 VanDerWaalsContact O-CB 3.27Å; E48-S51 WeakPolarHBondContact O-CB 3.43Å; E48-S51 PolarHBondContact O-N 3.47Å; E48-S51 PolarHBondContact O-OG 3.39Å; E48-M295 HydrophobicContact CB-CE 4.2Å; E48-M295 HydrophobicContact CG-CE 3.19Å
49I98Very high97.3Very high0 Ų073.2 Ų73.20%036%0.361CS..G310 helixtrans-57.4-28.3173.4-74.9173.6000111.3I42 Y46 P47 S51 L52 F281 I284 M295 A296I42-I49 HydrophobicContact CG2-CD1 3.31Å; Y46-I49 WeakPolarHBondContact O-CB 3.49Å; Y46-I49 PolarHBondContact O-N 3.36Å; Y46-I49 VanDerWaalsContact O-N 3.1Å; P47-I49 PolarHBondContact O-N 2.99Å; I49-S51 PolarHBondContact O-N 3.35Å; I49-S51 VanDerWaalsContact O-N 3.12Å; I49-L52 VanDerWaalsContact O-CB 3.3Å; I49-L52 WeakPolarHBondContact O-CB 3.18Å; I49-L52 PolarHBondContact O-N 3.18Å; I49-F281 HydrophobicContact CG2-CD1 4.08Å; I49-F281 HydrophobicContact CG2-CE1 3.84Å; I49-F281 HydrophobicContact CG2-CE2 4.44Å; I49-F281 HydrophobicContact CG2-CG 4.46Å; I49-F281 HydrophobicContact CG2-CZ 4.05Å; I49-I284 HydrophobicContact CG2-CD1 3.73Å; I49-M295 HydrophobicContact CB-CE 4.49Å; I49-M295 HydrophobicContact CD1-CB 4.24Å; I49-M295 HydrophobicContact CG1-CB 4.2Å; I49-M295 HydrophobicContact CG1-CE 3.6Å; I49-M295 HydrophobicContact CG1-SD 4Å; I49-A296 HydrophobicContact CD1-CB 4.33Å
50K97.3Very high97.3Very high121 Ų12172.1 Ų72.153%0.52636%0.359SS..G310 helixtrans-57.6-26.9174.6-66178.5-178.3174.70112.9L43 P47 E48 L52 M53L43-K50 HydrophobicContact CD2-CD 4.47Å; L43-K50 HydrophobicContact CD2-CG 3.74Å; P47-K50 WeakPolarHBondContact O-CB 3.47Å; P47-K50 WeakPolarHBondContact O-CG 3.41Å; P47-K50 PolarHBondContact O-N 3.19Å; P47-K50 VanDerWaalsContact O-N 3.16Å; E48-K50 PolarHBondContact O-N 3.46Å; E48-K50 VanDerWaalsContact O-N 3.14Å; K50-L52 PolarHBondContact O-N 3.25Å; K50-M53 HydrophobicContact CG-SD 4.45Å; K50-M53 WeakPolarHBondContact O-CB 3.28Å; K50-M53 PolarHBondContact O-N 3.35Å; K50-M53 VanDerWaalsContact O-N 3.13Å
51S97.4Very high97.3Very high91 Ų9173.1 Ų73.164%0.63636%0.358SS*.G310 helixtrans-65.8-20.2175.870.60000113.4E48 I49E48-S51 VanDerWaalsContact O-CB 3.27Å; E48-S51 WeakPolarHBondContact O-CB 3.43Å; E48-S51 PolarHBondContact O-N 3.47Å; E48-S51 PolarHBondContact O-OG 3.39Å; I49-S51 PolarHBondContact O-N 3.35Å; I49-S51 VanDerWaalsContact O-N 3.12Å
52L97.8Very high97.3Very high17 Ų1771 Ų719%0.08935%0.35CS..G310 helixtrans-80.4-18.9176-56.9-178.3000112.4I49 K50 I284 R288 L291 V292 M295I49-L52 VanDerWaalsContact O-CB 3.3Å; I49-L52 WeakPolarHBondContact O-CB 3.18Å; I49-L52 PolarHBondContact O-N 3.18Å; K50-L52 PolarHBondContact O-N 3.25Å; L52-I284 HydrophobicContact CB-CD1 3.85Å; L52-I284 HydrophobicContact CB-CG1 4.11Å; L52-I284 HydrophobicContact CB-CG2 4.02Å; L52-I284 HydrophobicContact CD1-CD1 4.42Å; L52-R288 HydrophobicContact CB-CB 4.5Å; L52-R288 VanDerWaalsContact O-CD 3.32Å; L52-R288 WeakPolarHBondContact O-CD 3.24Å; L52-R288 PolarHBondContact O-NH1 2.93Å; L52-L291 HydrophobicContact CD1-CB 3.83Å; L52-L291 HydrophobicContact CD2-CB 4.36Å; L52-L291 HydrophobicContact CD2-CD1 3.82Å; L52-V292 HydrophobicContact CD1-CG2 3.87Å; L52-M295 HydrophobicContact CD1-SD 3.81Å; L52-M295 HydrophobicContact CG-SD 4.49Å
53M96.9Very high97.3Very high62 Ų6271 Ų7131%0.30535%0.35SS..  trans-71.4139.8179.6-60.4179175.300111L43 K50 F281 S283 I284L43-M53 HydrophobicContact CD2-CE 4.47Å; K50-M53 HydrophobicContact CG-SD 4.45Å; K50-M53 WeakPolarHBondContact O-CB 3.28Å; K50-M53 PolarHBondContact O-N 3.35Å; K50-M53 VanDerWaalsContact O-N 3.13Å; M53-F281 HydrophobicContact CE-CD1 3.68Å; M53-F281 HydrophobicContact CE-CE1 4.22Å; M53-S283 WeakPolarHBondContact CG-OG 3.28Å; M53-S283 PolarHBondContact SD-OG 3.31Å; M53-I284 HydrophobicContact CB-CG1 4.47Å; M53-I284 HydrophobicContact CG-CD1 4.32Å; M53-I284 HydrophobicContact CG-CG1 3.71Å
54G94.1Very high97.3Very high27 Ų2771.6 Ų71.628%0.27836%0.357SS..SBendtrans125.9-175.4177.500000112.9S283 P285G54-S283 PolarHBondContact N-O 2.86Å; G54-P285 WeakPolarHBondContact O-CD 3.23Å; G54-P285 WeakPolarHBondContact O-CG 3.43Å
55P96.6Very high97.3Very high56 Ų5672.8 Ų72.836%0.36435%0.349SS..  trans-72.3149-168.327.1-33.8000113.7T111 R288P55-T111 CarbonylContact C-O 3.57Å; P55-T111 WeakPolarHBondContact CA-O 3.24Å; P55-T111 WeakPolarHBondContact CB-O 3.44Å; P55-R288 PolarHBondContact O-NH2 3.23Å; P55-R288 VanDerWaalsContact O-NH2 3.16Å
56D96.7Very high97.3Very high14 Ų1467.7 Ų67.78%0.07533%0.327CS..  trans-94.3108.2162-171.8-4.3000110.4R58 L59 T111 P285D56-R58 PolarHBondContact O-N 2.83Å; D56-R58 VanDerWaalsContact O-N 3.13Å; D56-R58 WeakPolarHBondContact OD1-CB 3.31Å; D56-R58 PolarHBondContact OD1-N 3.46Å; D56-L59 HydrophobicContact CB-CB 4.24Å; D56-L59 PolarHBondContact O-N 3.2Å; D56-T111 PolarHBondContact N-O 3.25Å; D56-P285 HydrophobicContact CB-CB 3.87Å; D56-P285 HydrophobicContact CB-CG 4.02Å
57R93.7Very high97.3Very high208 Ų20865.6 Ų65.679%0.78532%0.319SS*.THydrogen-bonded Turntrans-62.6-19.9179.9-63.3-176.9178.1-176-0.2113.5
58R96.6Very high97.4Very high140 Ų14064.3 Ų64.353%0.52832%0.318SS..THydrogen-bonded Turntrans-84.1-29.8-179.3-61.6-175.8-179.2-173.7-0.8112.8D56 K60 W61 I62 R287D56-R58 PolarHBondContact O-N 2.83Å; D56-R58 VanDerWaalsContact O-N 3.13Å; D56-R58 WeakPolarHBondContact OD1-CB 3.31Å; D56-R58 PolarHBondContact OD1-N 3.46Å; R58-K60 VanDerWaalsContact C-N 3.31Å; R58-K60 PolarHBondContact O-N 3.11Å; R58-W61 PolarHBondContact O-N 3.21Å; R58-I62 HydrophobicContact CB-CD1 4.3Å; R58-I62 PolarHBondContact O-N 3.15Å; R58-I62 VanDerWaalsContact O-N 3.09Å; R58-R287 VanDerWaalsContact NH1-CZ 3.34Å; R58-R287 VanDerWaalsContact NH1-NH2 3.18Å
59L97.6Very high97.4Very high3 Ų362.6 Ų62.62%0.01631%0.312CS..Hα-helixtrans-53.4-47.7-171.617959.1000111.9D56 W61 I62 V63 E106 I107 T111 A112 F270D56-L59 HydrophobicContact CB-CB 4.24Å; D56-L59 PolarHBondContact O-N 3.2Å; L59-W61 VanDerWaalsContact C-N 3.27Å; L59-W61 PolarHBondContact O-N 3.32Å; L59-I62 PolarHBondContact O-N 3.09Å; L59-V63 HydrophobicContact CD1-CG2 4.06Å; L59-V63 HydrophobicContact CG-CG2 4.46Å; L59-V63 WeakPolarHBondContact O-CG2 3.48Å; L59-V63 PolarHBondContact O-N 2.89Å; L59-E106 HydrophobicContact CD1-CB 4.44Å; L59-E106 HydrophobicContact CD2-CB 3.77Å; L59-I107 HydrophobicContact CD2-CG1 4.18Å; L59-T111 VanDerWaalsContact CD2-OG1 3.32Å; L59-T111 WeakPolarHBondContact CD2-OG1 3.02Å; L59-A112 HydrophobicContact CD2-CB 4.02Å; L59-A112 HydrophobicContact CG-CB 4.43Å; L59-F270 HydrophobicContact CD1-CD1 3.94Å; L59-F270 HydrophobicContact CD1-CE1 3.71Å; L59-F270 HydrophobicContact CD1-CZ 4.45Å
60K97.5Very high97.4Very high65 Ų6562.6 Ų62.628%0.28331%0.312SS..Hα-helixtrans-58.5-36178.867.7-174-179.7-178.50113.7R58 C64 F113 F124R58-K60 VanDerWaalsContact C-N 3.31Å; R58-K60 PolarHBondContact O-N 3.11Å; K60-C64 WeakPolarHBondContact O-CB 3.21Å; K60-C64 PolarHBondContact O-N 2.68Å; K60-C64 PolarHBondContact O-SG 2.88Å; K60-F113 HydrophobicContact CB-CZ 4.26Å; K60-F113 HydrophobicContact CD-CE1 3.96Å; K60-F113 HydrophobicContact CD-CZ 4.25Å; K60-F124 HydrophobicContact CB-CE1 4Å; K60-F124 HydrophobicContact CB-CE2 4.4Å; K60-F124 HydrophobicContact CB-CZ 3.78Å; K60-F124 WeakPolarHBondContact O-CZ 3.33Å
61W98.1Very high97.5Very high175 Ų17560.1 Ų60.166%0.66330%0.301SS*.Hα-helixtrans-76-38.8-179.7-61.6120.8000111.8R58 L59 V63 C64 M65R58-W61 PolarHBondContact O-N 3.21Å; L59-W61 VanDerWaalsContact C-N 3.27Å; L59-W61 PolarHBondContact O-N 3.32Å; W61-V63 VanDerWaalsContact C-N 3.33Å; W61-C64 PolarHBondContact O-N 3.42Å; W61-M65 WeakPolarHBondContact O-CB 3.49Å; W61-M65 PolarHBondContact O-N 3.35Å
62I97.9Very high97.5Very high64 Ų6460.7 Ų60.733%0.32830%0.296SS..Hα-helixtrans-61.9-45.5174.3-63.2168.6000109.8R58 L59 M65 M66 F270R58-I62 HydrophobicContact CB-CD1 4.3Å; R58-I62 PolarHBondContact O-N 3.15Å; R58-I62 VanDerWaalsContact O-N 3.09Å; L59-I62 PolarHBondContact O-N 3.09Å; I62-M65 WeakPolarHBondContact O-CB 3.42Å; I62-M65 PolarHBondContact O-N 2.71Å; I62-M66 HydrophobicContact CG2-CG 4.45Å; I62-M66 HydrophobicContact CG2-SD 3.88Å; I62-M66 WeakPolarHBondContact O-CG 3.43Å; I62-M66 PolarHBondContact O-N 3.35Å; I62-F270 HydrophobicContact CG2-CE1 3.83Å; I62-F270 HydrophobicContact CG2-CZ 3.95Å
63V98.5Very high97.5Very high0 Ų060.4 Ų60.40%030%0.296CS..Hα-helixtrans-63.4-47.1177.4170.20000111.6L59 W61 M65 M66 V67 M100 A103 I107 F124 A128L59-V63 HydrophobicContact CD1-CG2 4.06Å; L59-V63 HydrophobicContact CG-CG2 4.46Å; L59-V63 WeakPolarHBondContact O-CG2 3.48Å; L59-V63 PolarHBondContact O-N 2.89Å; W61-V63 VanDerWaalsContact C-N 3.33Å; V63-M65 VanDerWaalsContact C-N 3.27Å; V63-M65 PolarHBondContact O-N 2.87Å; V63-M66 PolarHBondContact O-N 3.32Å; V63-V67 HydrophobicContact CG1-CG2 4.44Å; V63-V67 WeakPolarHBondContact O-CG2 3.44Å; V63-V67 PolarHBondContact O-N 2.61Å; V63-M100 HydrophobicContact CG1-SD 4.23Å; V63-A103 HydrophobicContact CG2-CB 3.69Å; V63-I107 HydrophobicContact CG2-CD1 4.31Å; V63-F124 HydrophobicContact CB-CE1 3.8Å; V63-F124 HydrophobicContact CB-CZ 3.66Å; V63-F124 HydrophobicContact CG1-CE1 3.66Å; V63-F124 HydrophobicContact CG1-CE2 4.38Å; V63-F124 HydrophobicContact CG1-CZ 3.49Å; V63-F124 VanDerWaalsContact CG1-CZ 3.49Å; V63-F124 HydrophobicContact CG2-CE1 4.22Å; V63-A128 HydrophobicContact CG1-CB 3.64Å
64C98.7Very high97.6Very high49 Ų4957.4 Ų57.433%0.33128%0.282SS..Hα-helixtrans-58.1-40.3175-710000112.3K60 W61 G68K60-C64 WeakPolarHBondContact O-CB 3.21Å; K60-C64 PolarHBondContact O-N 2.68Å; K60-C64 PolarHBondContact O-SG 2.88Å; W61-C64 PolarHBondContact O-N 3.42Å; C64-G68 PolarHBondContact O-N 3.27Å
65M98.5Very high97.8Very high109 Ų10961.5 Ų61.554%0.53729%0.289SS..Hα-helixtrans-63.3-47.3175.4-179.3-165.974.800111.3W61 I62 V63 V67 G68 I69W61-M65 WeakPolarHBondContact O-CB 3.49Å; W61-M65 PolarHBondContact O-N 3.35Å; I62-M65 WeakPolarHBondContact O-CB 3.42Å; I62-M65 PolarHBondContact O-N 2.71Å; V63-M65 VanDerWaalsContact C-N 3.27Å; V63-M65 PolarHBondContact O-N 2.87Å; M65-V67 PolarHBondContact O-N 3.14Å; M65-G68 PolarHBondContact O-N 2.93Å; M65-I69 HydrophobicContact CE-CD1 4.28Å; M65-I69 HydrophobicContact CG-CD1 3.91Å; M65-I69 WeakPolarHBondContact O-CB 3.13Å; M65-I69 VanDerWaalsContact O-CG1 3.3Å; M65-I69 WeakPolarHBondContact O-CG1 3.44Å; M65-I69 PolarHBondContact O-N 2.9Å; M65-I69 HydrophobicContact SD-CD1 4.48Å
66M98.4Very high97.9Very high10 Ų1063.4 Ų63.45%0.04930%0.296CS..Hα-helixtrans-63.7-39.6178.8-71.1169.562.700112.5I62 V63 I69 Q70 I96 S99 M100 F270I62-M66 HydrophobicContact CG2-CG 4.45Å; I62-M66 HydrophobicContact CG2-SD 3.88Å; I62-M66 WeakPolarHBondContact O-CG 3.43Å; I62-M66 PolarHBondContact O-N 3.35Å; V63-M66 PolarHBondContact O-N 3.32Å; M66-I69 PolarHBondContact O-N 3.04Å; M66-Q70 PolarHBondContact O-N 3.29Å; M66-I96 HydrophobicContact CE-CG2 4.31Å; M66-S99 VanDerWaalsContact CE-CB 3.44Å; M66-S99 WeakPolarHBondContact CE-OG 3.48Å; M66-M100 HydrophobicContact CB-CE 3.46Å; M66-M100 VanDerWaalsContact CB-CE 3.46Å; M66-M100 HydrophobicContact CE-CB 4.22Å; M66-M100 HydrophobicContact CE-CE 4.08Å; M66-M100 HydrophobicContact CE-SD 4.48Å; M66-F270 HydrophobicContact SD-CE2 4.4Å; M66-F270 HydrophobicContact SD-CZ 3.85Å
67V98.6Very high97.9Very high3 Ų363 Ų632%0.01829%0.294CS..Hα-helixtrans-61.8-48.3172.1174.70000109.9V63 M65 I69 Q70 F71 M100 F127 P131V63-V67 HydrophobicContact CG1-CG2 4.44Å; V63-V67 WeakPolarHBondContact O-CG2 3.44Å; V63-V67 PolarHBondContact O-N 2.61Å; M65-V67 PolarHBondContact O-N 3.14Å; V67-I69 VanDerWaalsContact C-N 3.31Å; V67-I69 PolarHBondContact O-N 2.85Å; V67-Q70 PolarHBondContact O-N 3.43Å; V67-Q70 VanDerWaalsContact O-N 3.11Å; V67-F71 HydrophobicContact CG1-CD2 3.72Å; V67-F71 HydrophobicContact CG1-CE2 3.56Å; V67-F71 VanDerWaalsContact O-CD2 3.27Å; V67-F71 WeakPolarHBondContact O-CD2 3.11Å; V67-F71 PolarHBondContact O-N 3.25Å; V67-M100 HydrophobicContact CG2-CE 3.61Å; V67-M100 HydrophobicContact CG2-SD 4.42Å; V67-F127 HydrophobicContact CB-CE1 4Å; V67-F127 HydrophobicContact CB-CZ 3.87Å; V67-F127 HydrophobicContact CG1-CE1 4.16Å; V67-F127 HydrophobicContact CG1-CE2 3.95Å; V67-F127 HydrophobicContact CG1-CZ 3.59Å; V67-F127 HydrophobicContact CG2-CD1 4.26Å; V67-F127 HydrophobicContact CG2-CE1 3.76Å; V67-F127 HydrophobicContact CG2-CZ 4.08Å; V67-P131 HydrophobicContact CB-CG 4.43Å; V67-P131 HydrophobicContact CG1-CG 4.28Å; V67-P131 HydrophobicContact CG2-CG 4.09Å
68G98.6Very high98.1Very high41 Ų4155.3 Ų55.342%0.42327%0.266SS..Hα-helixtrans-58.4-40.817700000113.5C64 M65 F71 L72C64-G68 PolarHBondContact O-N 3.27Å; M65-G68 PolarHBondContact O-N 2.93Å; G68-F71 PolarHBondContact O-N 3.16Å; G68-L72 PolarHBondContact O-N 3.15Å
69I98.4Very high98.1Very high60 Ų6054 Ų5431%0.30827%0.269SS..Hα-helixtrans-62.3-43.4174.4-73.2168.2000111M65 M66 V67 L72 A73 F92M65-I69 HydrophobicContact CE-CD1 4.28Å; M65-I69 HydrophobicContact CG-CD1 3.91Å; M65-I69 WeakPolarHBondContact O-CB 3.13Å; M65-I69 VanDerWaalsContact O-CG1 3.3Å; M65-I69 WeakPolarHBondContact O-CG1 3.44Å; M65-I69 PolarHBondContact O-N 2.9Å; M65-I69 HydrophobicContact SD-CD1 4.48Å; M66-I69 PolarHBondContact O-N 3.04Å; V67-I69 VanDerWaalsContact C-N 3.31Å; V67-I69 PolarHBondContact O-N 2.85Å; I69-L72 PolarHBondContact O-N 2.98Å; I69-A73 PolarHBondContact O-N 3.02Å; I69-F92 HydrophobicContact CG2-CE1 4Å; I69-F92 HydrophobicContact CG2-CZ 3.54Å
70Q97.9Very high98.2Very high0 Ų056.3 Ų56.30%028%0.282CS..Hα-helixtrans-66.9-38.1176.8-75.9-71.347.600112.6M66 V67 L72 A73 F74 I96 N97 P131 Y227M66-Q70 PolarHBondContact O-N 3.29Å; V67-Q70 PolarHBondContact O-N 3.43Å; V67-Q70 VanDerWaalsContact O-N 3.11Å; Q70-L72 VanDerWaalsContact C-N 3.32Å; Q70-L72 PolarHBondContact O-N 3.32Å; Q70-A73 WeakPolarHBondContact O-CB 3.42Å; Q70-A73 PolarHBondContact O-N 3.07Å; Q70-A73 VanDerWaalsContact O-N 3.16Å; Q70-F74 HydrophobicContact CB-CE2 4.3Å; Q70-F74 HydrophobicContact CB-CZ 4.15Å; Q70-F74 WeakPolarHBondContact O-CD1 3.11Å; Q70-F74 WeakPolarHBondContact O-CD2 3.41Å; Q70-F74 WeakPolarHBondContact O-CG 3.25Å; Q70-F74 PolarHBondContact O-N 3.47Å; Q70-I96 HydrophobicContact CG-CB 4.3Å; Q70-I96 HydrophobicContact CG-CG2 3.47Å; Q70-I96 VanDerWaalsContact CG-CG2 3.47Å; Q70-N97 PolarHBondContact NE2-OD1 3.41Å; Q70-P131 HydrophobicContact CB-CB 3.72Å; Q70-P131 HydrophobicContact CB-CG 3.98Å; Q70-P131 HydrophobicContact CG-CB 3.76Å; Q70-P131 HydrophobicContact CG-CG 4.28Å; Q70-Y227 PolarHBondContact OE1-OH 3.47Å
71F98.2Very high98.2Very high69 Ų6958 Ų5830%0.30329%0.294SS..Hα-helixtrans-61.2-41.5173.6-90.2-111.6000112.1V67 G68 F74 Y75 L130 F212V67-F71 HydrophobicContact CG1-CD2 3.72Å; V67-F71 HydrophobicContact CG1-CE2 3.56Å; V67-F71 VanDerWaalsContact O-CD2 3.27Å; V67-F71 WeakPolarHBondContact O-CD2 3.11Å; V67-F71 PolarHBondContact O-N 3.25Å; G68-F71 PolarHBondContact O-N 3.16Å; F71-F74 PolarHBondContact O-N 3.05Å; F71-Y75 PolarHBondContact O-N 3.11Å; F71-Y75 VanDerWaalsContact O-N 3.09Å; F71-L130 HydrophobicContact CZ-CD1 4.44Å; F71-F212 AromaticContact CE1-CE2 3.55Å; F71-F212 HydrophobicContact CE1-CE2 3.55Å; F71-F212 HydrophobicContact CE1-CZ 4.05Å; F71-F212 AromaticContact CE2-CE2 3.88Å; F71-F212 HydrophobicContact CE2-CE2 3.88Å; F71-F212 AromaticContact CE2-CZ 3.77Å; F71-F212 HydrophobicContact CE2-CZ 3.77Å; F71-F212 HydrophobicContact CZ-CD2 4.1Å; F71-F212 AromaticContact CZ-CE2 3.12Å; F71-F212 HydrophobicContact CZ-CE2 3.12Å; F71-F212 AromaticContact CZ-CZ 3.51Å; F71-F212 HydrophobicContact CZ-CZ 3.51Å
72L98.4Very high98.2Very high102 Ų10255.8 Ų55.853%0.53429%0.285SS..Hα-helixtrans-62.5-44.5172.7178.161.1000111.1G68 I69 Q70 F74 Y75 L76G68-L72 PolarHBondContact O-N 3.15Å; I69-L72 PolarHBondContact O-N 2.98Å; Q70-L72 VanDerWaalsContact C-N 3.32Å; Q70-L72 PolarHBondContact O-N 3.32Å; L72-F74 VanDerWaalsContact C-N 3.34Å; L72-F74 PolarHBondContact O-N 3.24Å; L72-Y75 PolarHBondContact O-N 3.2Å; L72-L76 HydrophobicContact CD1-CD1 4.2Å; L72-L76 HydrophobicContact CD1-CG 4.2Å; L72-L76 HydrophobicContact CG-CD1 3.99Å; L72-L76 HydrophobicContact CG-CG 4.41Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.16Å; L72-L76 PolarHBondContact O-N 2.99Å
73A98.3Very high98.2Very high11 Ų1159.3 Ų59.39%0.09130%0.299CS..Hα-helixtrans-59.5-44.4177.100000111.7I69 Q70 Y75 L76 V77 F92 Y227I69-A73 PolarHBondContact O-N 3.02Å; Q70-A73 WeakPolarHBondContact O-CB 3.42Å; Q70-A73 PolarHBondContact O-N 3.07Å; Q70-A73 VanDerWaalsContact O-N 3.16Å; A73-Y75 VanDerWaalsContact C-N 3.33Å; A73-Y75 PolarHBondContact O-N 2.93Å; A73-L76 PolarHBondContact O-N 2.76Å; A73-L76 VanDerWaalsContact O-N 3.14Å; A73-V77 WeakPolarHBondContact O-CG1 3.38Å; A73-V77 WeakPolarHBondContact O-CG2 3.27Å; A73-V77 PolarHBondContact O-N 3.11Å; A73-F92 HydrophobicContact CB-CE1 4.16Å; A73-Y227 HydrophobicContact CB-CE1 4.18Å
74F98.4Very high98.2Very high0 Ų065 Ų650%032%0.32CS..Hα-helixtrans-56.2-45.1174.6-63.6-24.7000112.3Q70 F71 L72 V77 P131 F212 L216 W220 P224 Y227 M228Q70-F74 HydrophobicContact CB-CE2 4.3Å; Q70-F74 HydrophobicContact CB-CZ 4.15Å; Q70-F74 WeakPolarHBondContact O-CD1 3.11Å; Q70-F74 WeakPolarHBondContact O-CD2 3.41Å; Q70-F74 WeakPolarHBondContact O-CG 3.25Å; Q70-F74 PolarHBondContact O-N 3.47Å; F71-F74 PolarHBondContact O-N 3.05Å; L72-F74 VanDerWaalsContact C-N 3.34Å; L72-F74 PolarHBondContact O-N 3.24Å; F74-V77 WeakPolarHBondContact O-CG2 3.29Å; F74-P131 HydrophobicContact CE2-CB 4.43Å; F74-P131 HydrophobicContact CZ-CB 4.03Å; F74-F212 HydrophobicContact CD2-CZ 4.31Å; F74-F212 HydrophobicContact CE2-CE1 4.17Å; F74-F212 AromaticContact CE2-CZ 3.97Å; F74-F212 HydrophobicContact CE2-CZ 3.97Å; F74-L216 HydrophobicContact CB-CD1 4.06Å; F74-L216 HydrophobicContact CD2-CD1 3.97Å; F74-L216 HydrophobicContact CD2-CD2 4.24Å; F74-L216 HydrophobicContact CE2-CD2 4.44Å; F74-L216 HydrophobicContact CG-CD1 4.2Å; F74-L216 HydrophobicContact CG-CD2 4.42Å; F74-W220 HydrophobicContact CB-CE3 3.89Å; F74-W220 HydrophobicContact CB-CZ3 3.66Å; F74-P224 HydrophobicContact CB-CB 3.97Å; F74-P224 HydrophobicContact CD1-CB 4.47Å; F74-P224 HydrophobicContact CG-CB 4.45Å; F74-P224 VanDerWaalsContact O-CG 3.22Å; F74-P224 WeakPolarHBondContact O-CG 3.37Å; F74-Y227 AromaticContact CD1-CD1 3.55Å; F74-Y227 HydrophobicContact CD1-CD1 3.55Å; F74-Y227 AromaticContact CD1-CE1 3.74Å; F74-Y227 HydrophobicContact CD1-CE1 3.74Å; F74-Y227 AromaticContact CE1-CD1 3.54Å; F74-Y227 HydrophobicContact CE1-CD1 3.54Å; F74-Y227 AromaticContact CE1-CE1 3.61Å; F74-Y227 HydrophobicContact CE1-CE1 3.61Å; F74-M228 HydrophobicContact CE1-CB 3.78Å; F74-M228 HydrophobicContact CE1-CG 4.18Å; F74-M228 HydrophobicContact CE1-SD 4.5Å; F74-M228 HydrophobicContact CE2-SD 4.31Å; F74-M228 HydrophobicContact CZ-CB 4.03Å; F74-M228 HydrophobicContact CZ-CG 3.93Å; F74-M228 HydrophobicContact CZ-SD 3.84Å
75Y98.3Very high98.2Very high112 Ų11262.6 Ų62.644%0.43930%0.304SS..Hα-helixtrans-63.6-41.3176177.1-99.3000112.2F71 L72 A73 K78 W220F71-Y75 PolarHBondContact O-N 3.11Å; F71-Y75 VanDerWaalsContact O-N 3.09Å; L72-Y75 PolarHBondContact O-N 3.2Å; A73-Y75 VanDerWaalsContact C-N 3.33Å; A73-Y75 PolarHBondContact O-N 2.93Å; Y75-K78 HydrophobicContact CD2-CD 4.12Å; Y75-K78 HydrophobicContact CE2-CD 4.31Å; Y75-K78 VanDerWaalsContact O-CD 3.25Å; Y75-K78 WeakPolarHBondContact O-CD 3.5Å; Y75-K78 WeakPolarHBondContact O-CE 3.38Å; Y75-K78 WeakPolarHBondContact O-CG 3.31Å; Y75-W220 AromaticContact CD2-CE2 3.87Å; Y75-W220 AromaticContact CD2-CZ2 3.99Å; Y75-W220 HydrophobicContact CD2-CZ2 3.99Å; Y75-W220 AromaticContact CD2-NE1 3.85Å
76L98.2Very high98.1Very high96 Ų9662 Ų6250%0.50330%0.303SS..Hα-helixtrans-70.4-40.7-177.9-67.3173.3000112.8L72 A73 K78L72-L76 HydrophobicContact CD1-CD1 4.2Å; L72-L76 HydrophobicContact CD1-CG 4.2Å; L72-L76 HydrophobicContact CG-CD1 3.99Å; L72-L76 HydrophobicContact CG-CG 4.41Å; L72-L76 VanDerWaalsContact O-CG 3.31Å; L72-L76 WeakPolarHBondContact O-CG 3.16Å; L72-L76 PolarHBondContact O-N 2.99Å; A73-L76 PolarHBondContact O-N 2.76Å; A73-L76 VanDerWaalsContact O-N 3.14Å; L76-K78 PolarHBondContact O-N 3.14Å
77V98.2Very high98.1Very high5 Ų566.5 Ų66.53%0.0332%0.322CS..Hα-helixtrans-70-17.7-175.9-62.60000113.7A73 F74 D79 L80 V85 P224 Y227A73-V77 WeakPolarHBondContact O-CG1 3.38Å; A73-V77 WeakPolarHBondContact O-CG2 3.27Å; A73-V77 PolarHBondContact O-N 3.11Å; F74-V77 WeakPolarHBondContact O-CG2 3.29Å; V77-D79 PolarHBondContact O-N 2.93Å; V77-L80 HydrophobicContact CB-CD1 4.46Å; V77-L80 HydrophobicContact CG1-CD1 4.21Å; V77-L80 PolarHBondContact O-N 3.23Å; V77-V85 HydrophobicContact CB-CG2 4.48Å; V77-P224 HydrophobicContact CG2-CB 4.11Å; V77-P224 HydrophobicContact CG2-CG 4.07Å; V77-Y227 HydrophobicContact CG1-CD2 3.83Å; V77-Y227 HydrophobicContact CG1-CE2 4.13Å; V77-Y227 HydrophobicContact CG1-CG 4.26Å; V77-Y227 HydrophobicContact CG2-CG 4.16Å
78K97.6Very high98.1Very high47 Ų4772 Ų7220%0.20434%0.342CS..THydrogen-bonded Turntrans-60.9-32.1-179.986-169.2169.560.30112.6Y75 L76 W220 K223 P224Y75-K78 HydrophobicContact CD2-CD 4.12Å; Y75-K78 HydrophobicContact CE2-CD 4.31Å; Y75-K78 VanDerWaalsContact O-CD 3.25Å; Y75-K78 WeakPolarHBondContact O-CD 3.5Å; Y75-K78 WeakPolarHBondContact O-CE 3.38Å; Y75-K78 WeakPolarHBondContact O-CG 3.31Å; L76-K78 PolarHBondContact O-N 3.14Å; K78-W220 HydrophobicContact CB-CB 4.16Å; K78-W220 HydrophobicContact CD-CB 4.06Å; K78-W220 HydrophobicContact CD-CG 3.93Å; K78-K223 VanDerWaalsContact O-CD 3.31Å; K78-K223 WeakPolarHBondContact O-CD 3.3Å; K78-K223 PolarHBondContact O-NZ 2.85Å; K78-P224 HydrophobicContact CB-CG 3.92Å
79D96.9Very high98Very high112 Ų11270 Ų7060%0.59932%0.322SS*.THydrogen-bonded Turntrans-96.9-2.1-176.5-60.5-34.8000113.1V77V77-D79 PolarHBondContact O-N 2.93Å
80L98Very high97.9Very high52 Ų5272 Ų7227%0.27233%0.327SS..SBendtrans-84.5152.4-177.9-63.8-176.9000113V77 W84 V85 K223V77-L80 HydrophobicContact CB-CD1 4.46Å; V77-L80 HydrophobicContact CG1-CD1 4.21Å; V77-L80 PolarHBondContact O-N 3.23Å; L80-W84 HydrophobicContact CB-CB 4.18Å; L80-W84 HydrophobicContact CD1-CB 4.22Å; L80-V85 HydrophobicContact CB-CG2 4.03Å; L80-K223 WeakPolarHBondContact O-CD 3.42Å; L80-K223 VanDerWaalsContact O-CE 3.23Å; L80-K223 WeakPolarHBondContact O-CE 3.46Å; L80-K223 PolarHBondContact O-NZ 3.39Å
81D98.3Very high97.8Very high101 Ų10174.2 Ų74.254%0.5435%0.345SS..  trans-61.3148164.9-66.1-32.8000111.1K83 W84 V85D81-K83 VanDerWaalsContact C-N 3.25Å; D81-K83 HydrophobicContact CB-CG 4.18Å; D81-K83 PolarHBondContact O-N 2.86Å; D81-K83 VanDerWaalsContact O-N 3.13Å; D81-W84 WeakPolarHBondContact O-CA 3.41Å; D81-W84 WeakPolarHBondContact O-CB 3.3Å; D81-W84 PolarHBondContact O-N 2.94Å; D81-V85 PolarHBondContact O-N 3.23Å
82W98.3Very high97.8Very high128 Ų12874.6 Ų74.649%0.48535%0.347SS..Hα-helixtrans-52.7-38.4-178.6-80.2110.7000114.4W84 V85 L86 K223 V226W82-W84 PolarHBondContact O-N 3.13Å; W82-V85 HydrophobicContact CE3-CB 4.34Å; W82-V85 HydrophobicContact CE3-CG1 4.39Å; W82-V85 HydrophobicContact CZ3-CG1 4.44Å; W82-V85 WeakPolarHBondContact O-CB 3.35Å; W82-V85 PolarHBondContact O-N 3.48Å; W82-L86 WeakPolarHBondContact O-CG 3.42Å; W82-L86 PolarHBondContact O-N 3.37Å; W82-K223 HydrophobicContact CD2-CG 4.4Å; W82-K223 HydrophobicContact CE3-CG 4.37Å; W82-K223 HydrophobicContact CH2-CB 4.41Å; W82-K223 HydrophobicContact CH2-CG 3.76Å; W82-K223 HydrophobicContact CZ2-CG 3.77Å; W82-K223 HydrophobicContact CZ3-CG 4.05Å; W82-V226 HydrophobicContact CH2-CB 4.31Å; W82-V226 HydrophobicContact CH2-CG2 3.96Å; W82-V226 HydrophobicContact CZ3-CB 3.98Å; W82-V226 HydrophobicContact CZ3-CG1 3.93Å; W82-V226 HydrophobicContact CZ3-CG2 4.07Å
83K97.9Very high97.7Very high139 Ų13969.8 Ų69.860%0.60432%0.321SS*.Hα-helixtrans-58.2-38.317666.9-176.5179.5-177.60112.4D81 F87D81-K83 VanDerWaalsContact C-N 3.25Å; D81-K83 HydrophobicContact CB-CG 4.18Å; D81-K83 PolarHBondContact O-N 2.86Å; D81-K83 VanDerWaalsContact O-N 3.13Å; K83-F87 WeakPolarHBondContact O-CB 3.44Å; K83-F87 PolarHBondContact O-N 3.4Å
84W98Very high97.6Very high118 Ų11869.2 Ų69.245%0.44732%0.317SS..Hα-helixtrans-79-33.9178.7-66.1125.5000111.7L80 D81 W82 L86 F87 W88L80-W84 HydrophobicContact CB-CB 4.18Å; L80-W84 HydrophobicContact CD1-CB 4.22Å; D81-W84 WeakPolarHBondContact O-CA 3.41Å; D81-W84 WeakPolarHBondContact O-CB 3.3Å; D81-W84 PolarHBondContact O-N 2.94Å; W82-W84 PolarHBondContact O-N 3.13Å; W84-L86 VanDerWaalsContact C-N 3.35Å; W84-F87 HydrophobicContact CE3-CB 4.28Å; W84-F87 HydrophobicContact CE3-CD1 4.12Å; W84-F87 HydrophobicContact CE3-CG 4.29Å; W84-F87 HydrophobicContact CZ3-CD1 4.3Å; W84-F87 HydrophobicContact CZ3-CG 4.46Å; W84-F87 PolarHBondContact O-N 2.9Å; W84-W88 WeakPolarHBondContact O-CB 3.47Å; W84-W88 PolarHBondContact O-N 2.84Å
85V98.4Very high97.5Very high0 Ų070.9 Ų70.90%033%0.328CS..Hα-helixtrans-56.4-51.6169.6179.30000109.8V77 L80 D81 W82 W88 T89 K223V77-V85 HydrophobicContact CB-CG2 4.48Å; L80-V85 HydrophobicContact CB-CG2 4.03Å; D81-V85 PolarHBondContact O-N 3.23Å; W82-V85 HydrophobicContact CE3-CB 4.34Å; W82-V85 HydrophobicContact CE3-CG1 4.39Å; W82-V85 HydrophobicContact CZ3-CG1 4.44Å; W82-V85 WeakPolarHBondContact O-CB 3.35Å; W82-V85 PolarHBondContact O-N 3.48Å; V85-W88 PolarHBondContact O-N 2.94Å; V85-T89 VanDerWaalsContact O-CB 3.3Å; V85-T89 WeakPolarHBondContact O-CB 3.4Å; V85-T89 PolarHBondContact O-N 3.17Å; V85-T89 PolarHBondContact O-OG1 3.06Å; V85-K223 HydrophobicContact CG2-CB 4.22Å; V85-K223 HydrophobicContact CG2-CD 4.04Å; V85-K223 HydrophobicContact CG2-CG 4.25Å
86L97.7Very high97.4Very high97 Ų9767 Ų6751%0.50831%0.314SS..Hα-helixtrans-64.1-42.8-180-65.5177.3000112.4W82 W84 T89 Y90W82-L86 WeakPolarHBondContact O-CG 3.42Å; W82-L86 PolarHBondContact O-N 3.37Å; W84-L86 VanDerWaalsContact C-N 3.35Å; L86-T89 WeakPolarHBondContact O-CB 3.26Å; L86-T89 PolarHBondContact O-N 2.82Å; L86-Y90 PolarHBondContact O-N 3.33Å; L86-Y90 VanDerWaalsContact O-N 3.14Å
87F97.4Very high97.3Very high104 Ų10462.5 Ų62.546%0.45629%0.291SS..Hα-helixtrans-57.7-52175.7174.3-96.6000111.8K83 W84 T89 Y90 A91K83-F87 WeakPolarHBondContact O-CB 3.44Å; K83-F87 PolarHBondContact O-N 3.4Å; W84-F87 HydrophobicContact CE3-CB 4.28Å; W84-F87 HydrophobicContact CE3-CD1 4.12Å; W84-F87 HydrophobicContact CE3-CG 4.29Å; W84-F87 HydrophobicContact CZ3-CD1 4.3Å; W84-F87 HydrophobicContact CZ3-CG 4.46Å; W84-F87 PolarHBondContact O-N 2.9Å; F87-T89 VanDerWaalsContact C-N 3.32Å; F87-T89 PolarHBondContact O-N 3.01Å; F87-Y90 PolarHBondContact O-N 3.27Å; F87-A91 HydrophobicContact CE1-CB 4.36Å; F87-A91 HydrophobicContact CZ-CB 4.32Å; F87-A91 WeakPolarHBondContact O-CB 3.27Å; F87-A91 PolarHBondContact O-N 3.28Å
88W98Very high97.2Very high117 Ų11762.3 Ų62.344%0.44329%0.29SS..Hα-helixtrans-69.7-30.1-179.8-73.5119.8000112.9W84 V85 Y90 F92 G93 Y227W84-W88 WeakPolarHBondContact O-CB 3.47Å; W84-W88 PolarHBondContact O-N 2.84Å; V85-W88 PolarHBondContact O-N 2.94Å; W88-Y90 VanDerWaalsContact C-N 3.32Å; W88-Y90 PolarHBondContact O-N 3.48Å; W88-F92 HydrophobicContact CE3-CB 3.97Å; W88-F92 WeakPolarHBondContact O-CA 3.43Å; W88-F92 WeakPolarHBondContact O-CB 3.33Å; W88-F92 PolarHBondContact O-N 3.14Å; W88-G93 PolarHBondContact O-N 3.45Å; W88-Y227 HydrophobicContact CB-CE2 4.43Å
89T97.8Very high97.2Very high0 Ų060.6 Ų60.60%028%0.284CS..Iπ-helixtrans-57.2-47.6172-60.50000110.6V85 L86 F87 G93 S94 Y227 A230 L234V85-T89 VanDerWaalsContact O-CB 3.3Å; V85-T89 WeakPolarHBondContact O-CB 3.4Å; V85-T89 PolarHBondContact O-N 3.17Å; V85-T89 PolarHBondContact O-OG1 3.06Å; L86-T89 WeakPolarHBondContact O-CB 3.26Å; L86-T89 PolarHBondContact O-N 2.82Å; F87-T89 VanDerWaalsContact C-N 3.32Å; F87-T89 PolarHBondContact O-N 3.01Å; T89-G93 CarbonylContact O-C 3.41Å; T89-G93 WeakPolarHBondContact O-CA 3.29Å; T89-G93 PolarHBondContact O-N 3.32Å; T89-S94 WeakPolarHBondContact O-CB 3.45Å; T89-S94 PolarHBondContact O-N 3.16Å; T89-S94 PolarHBondContact O-OG 3.22Å; T89-Y227 VanDerWaalsContact OG1-CD2 3.27Å; T89-Y227 WeakPolarHBondContact OG1-CD2 3.46Å; T89-A230 HydrophobicContact CG2-CB 3.83Å; T89-L234 HydrophobicContact CG2-CD1 4.11Å
90Y96.4Very high97.2Very high103 Ų10355.2 Ų55.240%0.40426%0.255SS..Iπ-helixtrans-75.2-51.3179.1-175.5-100000112.1L86 F87 W88 F92 S94 L234L86-Y90 PolarHBondContact O-N 3.33Å; L86-Y90 VanDerWaalsContact O-N 3.14Å; F87-Y90 PolarHBondContact O-N 3.27Å; W88-Y90 VanDerWaalsContact C-N 3.32Å; W88-Y90 PolarHBondContact O-N 3.48Å; Y90-F92 PolarHBondContact O-N 2.84Å; Y90-S94 WeakPolarHBondContact O-CB 3.41Å; Y90-L234 HydrophobicContact CD2-CB 4.25Å; Y90-L234 HydrophobicContact CD2-CD1 4.25Å; Y90-L234 HydrophobicContact CD2-CD2 4.48Å
91A95.8Very high97.1Very high46 Ų4653.2 Ų53.238%0.3825%0.245SC..Iπ-helixtrans-70-32.7-171.600000113.7F87F87-A91 HydrophobicContact CE1-CB 4.36Å; F87-A91 HydrophobicContact CZ-CB 4.32Å; F87-A91 WeakPolarHBondContact O-CB 3.27Å; F87-A91 PolarHBondContact O-N 3.28Å
92F97Very high97.1Very high77 Ų7748.8 Ų48.834%0.33822%0.221SC..Iπ-helixtrans-123.2-53.9-173.4-176.7-102.3000112.5I69 A73 W88 Y90 S94 C95 I96 Y227I69-F92 HydrophobicContact CG2-CE1 4Å; I69-F92 HydrophobicContact CG2-CZ 3.54Å; A73-F92 HydrophobicContact CB-CE1 4.16Å; W88-F92 HydrophobicContact CE3-CB 3.97Å; W88-F92 WeakPolarHBondContact O-CA 3.43Å; W88-F92 WeakPolarHBondContact O-CB 3.33Å; W88-F92 PolarHBondContact O-N 3.14Å; Y90-F92 PolarHBondContact O-N 2.84Å; F92-S94 VanDerWaalsContact C-N 3.32Å; F92-S94 PolarHBondContact O-N 3.45Å; F92-C95 WeakPolarHBondContact O-CB 3.43Å; F92-C95 PolarHBondContact O-N 3.11Å; F92-C95 VanDerWaalsContact O-N 3.17Å; F92-I96 HydrophobicContact CE1-CG1 4.13Å; F92-I96 HydrophobicContact CE2-CD1 4.44Å; F92-I96 HydrophobicContact CE2-CG1 4.16Å; F92-I96 HydrophobicContact CZ-CD1 4.42Å; F92-I96 HydrophobicContact CZ-CG1 3.94Å; F92-I96 PolarHBondContact O-N 3.47Å; F92-I96 VanDerWaalsContact O-N 3.08Å; F92-Y227 WeakPolarHBondContact CD1-OH 3.3Å
93G97.1Very high97.1Very high0 Ų042.7 Ų42.70%020%0.198CC..Iπ-helixtrans-58.9-42.4-176.200000113.1W88 T89 I96 N97 Y227W88-G93 PolarHBondContact O-N 3.45Å; T89-G93 CarbonylContact O-C 3.41Å; T89-G93 WeakPolarHBondContact O-CA 3.29Å; T89-G93 PolarHBondContact O-N 3.32Å; G93-I96 PolarHBondContact O-N 3.34Å; G93-N97 VanDerWaalsContact O-CB 3.31Å; G93-N97 WeakPolarHBondContact O-CB 3.48Å; G93-N97 PolarHBondContact O-N 2.98Å; G93-Y227 WeakPolarHBondContact CA-OH 3.4Å; G93-Y227 PolarHBondContact N-OH 2.98Å
94S96.4Very high97.1Very high0 Ų036.1 Ų36.10%017%0.17CC..Hα-helixtrans-65.7-39.6178.6-59.50000112T89 Y90 F92 H98 G231 L234T89-S94 WeakPolarHBondContact O-CB 3.45Å; T89-S94 PolarHBondContact O-N 3.16Å; T89-S94 PolarHBondContact O-OG 3.22Å; Y90-S94 WeakPolarHBondContact O-CB 3.41Å; F92-S94 VanDerWaalsContact C-N 3.32Å; F92-S94 PolarHBondContact O-N 3.45Å; S94-H98 WeakPolarHBondContact O-CB 3.47Å; S94-H98 PolarHBondContact O-N 2.97Å; S94-G231 WeakPolarHBondContact CA-O 3.3Å; S94-G231 PolarHBondContact OG-O 2.83Å; S94-L234 WeakPolarHBondContact OG-CB 3.06Å
95C96Very high97.1Very high35 Ų3531.1 Ų31.124%0.23615%0.151CC..Hα-helixtrans-62.5-47.8175.3-67.80000111.6F92 S99 H239F92-C95 WeakPolarHBondContact O-CB 3.43Å; F92-C95 PolarHBondContact O-N 3.11Å; F92-C95 VanDerWaalsContact O-N 3.17Å; C95-S99 WeakPolarHBondContact O-CB 3.3Å; C95-S99 PolarHBondContact O-N 3.32Å; C95-H239 VanDerWaalsContact SG-CE1 3.57Å; C95-H239 PolarHBondContact SG-NE2 2.91Å
96I96.2Very high97.1Very high30 Ų3031.4 Ų31.415%0.15415%0.153CC..Hα-helixtrans-70.8-40.1-179.1-59.4-63.8000111.2M66 Q70 F92 G93 S99 M100M66-I96 HydrophobicContact CE-CG2 4.31Å; Q70-I96 HydrophobicContact CG-CB 4.3Å; Q70-I96 HydrophobicContact CG-CG2 3.47Å; Q70-I96 VanDerWaalsContact CG-CG2 3.47Å; F92-I96 HydrophobicContact CE1-CG1 4.13Å; F92-I96 HydrophobicContact CE2-CD1 4.44Å; F92-I96 HydrophobicContact CE2-CG1 4.16Å; F92-I96 HydrophobicContact CZ-CD1 4.42Å; F92-I96 HydrophobicContact CZ-CG1 3.94Å; F92-I96 PolarHBondContact O-N 3.47Å; F92-I96 VanDerWaalsContact O-N 3.08Å; G93-I96 PolarHBondContact O-N 3.34Å; I96-S99 PolarHBondContact O-N 2.55Å; I96-M100 VanDerWaalsContact O-CB 3.31Å; I96-M100 WeakPolarHBondContact O-CB 3.07Å; I96-M100 PolarHBondContact O-N 2.78Å
97N95.7Very high97.2Very high1 Ų126.8 Ų26.81%0.00513%0.128CC..Hα-helixtrans-62.8-44.2176.2-816.6000111.3Q70 G93 S99 M100 T101 P131 I132 M228 S232Q70-N97 PolarHBondContact NE2-OD1 3.41Å; G93-N97 VanDerWaalsContact O-CB 3.31Å; G93-N97 WeakPolarHBondContact O-CB 3.48Å; G93-N97 PolarHBondContact O-N 2.98Å; N97-S99 PolarHBondContact O-N 2.83Å; N97-M100 WeakPolarHBondContact O-CB 3.26Å; N97-M100 PolarHBondContact O-N 3.43Å; N97-M100 VanDerWaalsContact O-N 3.13Å; N97-T101 WeakPolarHBondContact O-CG2 3.21Å; N97-T101 PolarHBondContact O-N 3.05Å; N97-P131 PolarHBondContact ND2-O 3.41Å; N97-P131 PolarHBondContact OD1-O 2.82Å; N97-P131 VanDerWaalsContact OD1-O 3.06Å; N97-I132 HydrophobicContact CB-CD1 4.06Å; N97-I132 WeakPolarHBondContact O-CD1 3.43Å; N97-M228 PolarHBondContact ND2-O 3.24Å; N97-M228 VanDerWaalsContact ND2-O 3.16Å; N97-S232 PolarHBondContact ND2-N 3.31Å; N97-S232 PolarHBondContact ND2-OG 2.88Å
98H96Very high97.2Very high1 Ų122 Ų221%0.00511%0.108CC..Hα-helixtrans-62.6-42.9175.2-164.2100.9000111.9S94 M100 T101 L102 G235 I241 H244 F245S94-H98 WeakPolarHBondContact O-CB 3.47Å; S94-H98 PolarHBondContact O-N 2.97Å; H98-M100 VanDerWaalsContact C-N 3.28Å; H98-M100 PolarHBondContact O-N 3.42Å; H98-T101 PolarHBondContact O-N 3.34Å; H98-T101 PolarHBondContact O-OG1 3.42Å; H98-L102 PolarHBondContact O-N 2.65Å; H98-G235 PolarHBondContact ND1-O 3.36Å; H98-I241 WeakPolarHBondContact CD2-CG2 3.27Å; H98-I241 VanDerWaalsContact NE2-CG2 3.34Å; H98-I241 WeakPolarHBondContact NE2-CG2 3.48Å; H98-H244 AromaticContact CE1-CD2 3.43Å; H98-H244 PolarHBondContact CE1-CD2 2.87Å; H98-H244 VanDerWaalsContact CE1-CD2 3.43Å; H98-H244 AromaticContact CE1-NE2 3.26Å; H98-H244 PolarHBondContact CE1-NE2 3.46Å; H98-H244 VanDerWaalsContact CE1-NE2 3.26Å; H98-H244 AromaticContact NE2-CD2 3.09Å; H98-H244 PolarHBondContact NE2-CD2 3.4Å; H98-H244 AromaticContact NE2-NE2 3.06Å; H98-H244 PolarHBondContact NE2-NE2 3.06Å; H98-F245 AromaticContact CE1-CE2 3.76Å
99S97.1Very high97.2Very high11 Ų1117.3 Ų17.38%0.0779%0.091CC..Hα-helixtrans-60.6-40.1173.3-172.40000111.6M66 C95 I96 N97 T101 L102 A103 L268 F270M66-S99 VanDerWaalsContact CE-CB 3.44Å; M66-S99 WeakPolarHBondContact CE-OG 3.48Å; C95-S99 WeakPolarHBondContact O-CB 3.3Å; C95-S99 PolarHBondContact O-N 3.32Å; I96-S99 PolarHBondContact O-N 2.55Å; N97-S99 PolarHBondContact O-N 2.83Å; S99-T101 PolarHBondContact O-N 3.14Å; S99-L102 PolarHBondContact O-N 2.86Å; S99-A103 PolarHBondContact O-N 3.22Å; S99-L268 WeakPolarHBondContact CB-O 3.49Å; S99-L268 PolarHBondContact OG-O 3.37Å; S99-F270 WeakPolarHBondContact O-CE2 3.27Å
100M97.8Very high97.2Very high0 Ų018 Ų180%010%0.095CC..Hα-helixtrans-66.8-35179.3-169.463.974.600112.6V63 M66 V67 I96 N97 H98 L102 A103 I104 A128 P131 I132V63-M100 HydrophobicContact CG1-SD 4.23Å; M66-M100 HydrophobicContact CB-CE 3.46Å; M66-M100 VanDerWaalsContact CB-CE 3.46Å; M66-M100 HydrophobicContact CE-CB 4.22Å; M66-M100 HydrophobicContact CE-CE 4.08Å; M66-M100 HydrophobicContact CE-SD 4.48Å; V67-M100 HydrophobicContact CG2-CE 3.61Å; V67-M100 HydrophobicContact CG2-SD 4.42Å; I96-M100 VanDerWaalsContact O-CB 3.31Å; I96-M100 WeakPolarHBondContact O-CB 3.07Å; I96-M100 PolarHBondContact O-N 2.78Å; N97-M100 WeakPolarHBondContact O-CB 3.26Å; N97-M100 PolarHBondContact O-N 3.43Å; N97-M100 VanDerWaalsContact O-N 3.13Å; H98-M100 VanDerWaalsContact C-N 3.28Å; H98-M100 PolarHBondContact O-N 3.42Å; M100-L102 VanDerWaalsContact C-N 3.28Å; M100-L102 PolarHBondContact O-N 2.83Å; M100-A103 WeakPolarHBondContact O-CB 3.46Å; M100-A103 PolarHBondContact O-N 3.36Å; M100-A103 HydrophobicContact SD-CB 4.3Å; M100-I104 WeakPolarHBondContact O-CG1 3.26Å; M100-I104 PolarHBondContact O-N 2.94Å; M100-A128 WeakPolarHBondContact CG-O 3.47Å; M100-A128 HydrophobicContact SD-CB 3.87Å; M100-A128 VanDerWaalsContact SD-O 3.35Å; M100-P131 HydrophobicContact CE-CG 4.38Å; M100-I132 HydrophobicContact CB-CD1 4.04Å; M100-I132 HydrophobicContact CG-CD1 4.21Å; M100-I132 HydrophobicContact CG-CG1 4.44Å
101T97Very high97.2Very high10 Ų1013.3 Ų13.36%0.0618%0.077CC..Hα-helixtrans-63.6-38.5173.761.10000111.7N97 H98 S99 I104 H105 I132 Y136 M236N97-T101 WeakPolarHBondContact O-CG2 3.21Å; N97-T101 PolarHBondContact O-N 3.05Å; H98-T101 PolarHBondContact O-N 3.34Å; H98-T101 PolarHBondContact O-OG1 3.42Å; S99-T101 PolarHBondContact O-N 3.14Å; T101-I104 WeakPolarHBondContact O-CB 3.24Å; T101-I104 PolarHBondContact O-N 3.02Å; T101-H105 PolarHBondContact O-N 3.1Å; T101-I132 HydrophobicContact CG2-CD1 3.81Å; T101-Y136 WeakPolarHBondContact CA-OH 2.95Å; T101-Y136 VanDerWaalsContact CB-OH 3.3Å; T101-Y136 WeakPolarHBondContact CB-OH 3.49Å; T101-Y136 WeakPolarHBondContact CG2-OH 3.3Å; T101-M236 HydrophobicContact CG2-CG 4.32Å; T101-M236 HydrophobicContact CG2-SD 3.82Å
102L97.4Very high97.3Very high8 Ų811.4 Ų11.44%0.0426%0.06CC..Hα-helixtrans-73.3-27.4175.3-62.3178.5000113.3H98 S99 M100 H105 E106 T269 F270 V272H98-L102 PolarHBondContact O-N 2.65Å; S99-L102 PolarHBondContact O-N 2.86Å; M100-L102 VanDerWaalsContact C-N 3.28Å; M100-L102 PolarHBondContact O-N 2.83Å; L102-H105 WeakPolarHBondContact O-CB 3.39Å; L102-H105 PolarHBondContact O-N 3.49Å; L102-E106 PolarHBondContact O-N 3.48Å; L102-T269 HydrophobicContact CD1-CG2 3.28Å; L102-F270 HydrophobicContact CB-CD2 4.22Å; L102-V272 HydrophobicContact CD1-CG1 3.8Å; L102-V272 HydrophobicContact CD2-CB 4.35Å; L102-V272 HydrophobicContact CD2-CG1 4.14Å; L102-V272 HydrophobicContact CD2-CG2 4.18Å
103A98.2Very high97.3Very high0 Ų09.9 Ų9.90%05%0.054CC..Hα-helixtrans-66.2-41.9167.900000111.6V63 S99 M100 H105 E106 I107 F270V63-A103 HydrophobicContact CG2-CB 3.69Å; S99-A103 PolarHBondContact O-N 3.22Å; M100-A103 WeakPolarHBondContact O-CB 3.46Å; M100-A103 PolarHBondContact O-N 3.36Å; M100-A103 HydrophobicContact SD-CB 4.3Å; A103-H105 VanDerWaalsContact C-N 3.29Å; A103-H105 PolarHBondContact O-N 2.8Å; A103-E106 PolarHBondContact O-N 3.02Å; A103-I107 WeakPolarHBondContact O-CD1 3.29Å; A103-I107 WeakPolarHBondContact O-CG1 3.45Å; A103-I107 PolarHBondContact O-N 3Å; A103-F270 HydrophobicContact CB-CD2 4.35Å; A103-F270 HydrophobicContact CB-CE2 3.66Å; A103-F270 HydrophobicContact CB-CZ 3.85Å
104I98.6Very high97.3Very high1 Ų110.4 Ų10.41%0.0056%0.059CC..Hα-helixtrans-62.9-39.5174.2-69.5163.6000110.4M100 T101 I107 S108 A128 N129 I132 Y136 F140M100-I104 WeakPolarHBondContact O-CG1 3.26Å; M100-I104 PolarHBondContact O-N 2.94Å; T101-I104 WeakPolarHBondContact O-CB 3.24Å; T101-I104 PolarHBondContact O-N 3.02Å; I104-I107 PolarHBondContact O-N 2.9Å; I104-S108 WeakPolarHBondContact O-CB 3.49Å; I104-S108 PolarHBondContact O-N 3.39Å; I104-A128 HydrophobicContact CD1-CB 4.35Å; I104-A128 HydrophobicContact CG1-CB 3.79Å; I104-N129 HydrophobicContact CD1-CB 4.12Å; I104-I132 HydrophobicContact CD1-CG1 4.38Å; I104-Y136 HydrophobicContact CD1-CE1 3.7Å; I104-Y136 WeakPolarHBondContact CD1-OH 3.38Å; I104-F140 HydrophobicContact CG2-CD1 4.26Å
105H98.1Very high97.2Very high12 Ų1215.5 Ų15.56%0.0569%0.087CC..Hα-helixtrans-53.1-53.6169.9165.6-82.8000111.7T101 L102 A103 I107 S108 H109 F140 H144 H278T101-H105 PolarHBondContact O-N 3.1Å; L102-H105 WeakPolarHBondContact O-CB 3.39Å; L102-H105 PolarHBondContact O-N 3.49Å; A103-H105 VanDerWaalsContact C-N 3.29Å; A103-H105 PolarHBondContact O-N 2.8Å; H105-I107 PolarHBondContact O-N 3.49Å; H105-S108 VanDerWaalsContact O-CB 3.27Å; H105-S108 WeakPolarHBondContact O-CB 3.12Å; H105-S108 PolarHBondContact O-N 3.24Å; H105-S108 VanDerWaalsContact O-N 3.08Å; H105-S108 PolarHBondContact O-OG 3.32Å; H105-H109 AromaticContact CE1-NE2 3.84Å; H105-H109 AromaticContact NE2-NE2 3.63Å; H105-H109 PolarHBondContact O-CD2 3.36Å; H105-H109 VanDerWaalsContact O-CD2 3.23Å; H105-F140 HydrophobicContact CB-CE1 4.09Å; H105-F140 HydrophobicContact CB-CZ 4.11Å; H105-H144 AromaticContact CD2-CD2 3.89Å; H105-H144 AromaticContact CD2-CE1 3.24Å; H105-H144 PolarHBondContact CD2-CE1 3.36Å; H105-H144 AromaticContact CD2-NE2 3.04Å; H105-H144 PolarHBondContact CD2-NE2 3.17Å; H105-H144 AromaticContact NE2-CE1 3.3Å; H105-H144 PolarHBondContact NE2-CE1 3.39Å; H105-H144 VanDerWaalsContact NE2-CE1 3.3Å; H105-H144 AromaticContact NE2-NE2 3.05Å; H105-H144 PolarHBondContact NE2-NE2 2.94Å; H105-H278 AromaticContact CE1-CD2 3.79Å; H105-H278 AromaticContact CE1-CE1 3.41Å; H105-H278 PolarHBondContact CE1-CE1 3.45Å; H105-H278 VanDerWaalsContact CE1-CE1 3.41Å; H105-H278 AromaticContact CE1-NE2 3.11Å; H105-H278 PolarHBondContact CE1-NE2 2.86Å; H105-H278 AromaticContact NE2-CD2 3.77Å; H105-H278 AromaticContact NE2-CE1 3.76Å; H105-H278 AromaticContact NE2-NE2 3.04Å; H105-H278 PolarHBondContact NE2-NE2 3.44Å
106E97.9Very high97.2Very high7 Ų721.9 Ų21.93%0.03312%0.118CC..Hα-helixtrans-58.1-46.2176.6-74.1-65.999.500112.3L59 L102 A103 S108 H109 T111 F270 G286L59-E106 HydrophobicContact CD1-CB 4.44Å; L59-E106 HydrophobicContact CD2-CB 3.77Å; L102-E106 PolarHBondContact O-N 3.48Å; A103-E106 PolarHBondContact O-N 3.02Å; E106-S108 PolarHBondContact O-N 3.36Å; E106-H109 WeakPolarHBondContact O-CB 3.47Å; E106-H109 PolarHBondContact O-N 3.43Å; E106-H109 VanDerWaalsContact O-N 3.12Å; E106-T111 PolarHBondContact O-OG1 2.99Å; E106-F270 HydrophobicContact CG-CB 3.98Å; E106-F270 HydrophobicContact CG-CG 4.42Å; E106-G286 PolarHBondContact OE2-N 3Å
107I98.4Very high97.2Very high0 Ų025.2 Ų25.20%013%0.132CC..Hα-helixtrans-62.4-30.6179.1-62.5159.4000111.3L59 V63 A103 I104 H105 H109 N110 A112 N121 F124 A125 A128L59-I107 HydrophobicContact CD2-CG1 4.18Å; V63-I107 HydrophobicContact CG2-CD1 4.31Å; A103-I107 WeakPolarHBondContact O-CD1 3.29Å; A103-I107 WeakPolarHBondContact O-CG1 3.45Å; A103-I107 PolarHBondContact O-N 3Å; I104-I107 PolarHBondContact O-N 2.9Å; H105-I107 PolarHBondContact O-N 3.49Å; I107-H109 PolarHBondContact O-N 3.28Å; I107-N110 WeakPolarHBondContact O-CA 3.34Å; I107-N110 PolarHBondContact O-N 3.49Å; I107-A112 HydrophobicContact CG1-CB 4.13Å; I107-N121 HydrophobicContact CG2-CB 3.88Å; I107-N121 WeakPolarHBondContact CG2-O 3.45Å; I107-F124 HydrophobicContact CD1-CD1 3.6Å; I107-F124 HydrophobicContact CD1-CE1 3.79Å; I107-F124 HydrophobicContact CG1-CD1 4.06Å; I107-F124 HydrophobicContact CG1-CE1 4.36Å; I107-F124 HydrophobicContact CG2-CD1 4.45Å; I107-A125 HydrophobicContact CB-CB 4.45Å; I107-A125 HydrophobicContact CG2-CB 3.8Å; I107-A128 HydrophobicContact CD1-CB 3.97Å
108S97.9Very high97.2Very high4 Ų426.7 Ų26.73%0.02814%0.144CC..Hα-helixtrans-62.8-29.8178.286.80000112.4I104 H105 E106 N110 K141 H144I104-S108 WeakPolarHBondContact O-CB 3.49Å; I104-S108 PolarHBondContact O-N 3.39Å; H105-S108 VanDerWaalsContact O-CB 3.27Å; H105-S108 WeakPolarHBondContact O-CB 3.12Å; H105-S108 PolarHBondContact O-N 3.24Å; H105-S108 VanDerWaalsContact O-N 3.08Å; H105-S108 PolarHBondContact O-OG 3.32Å; E106-S108 PolarHBondContact O-N 3.36Å; S108-N110 PolarHBondContact O-N 2.75Å; S108-K141 PolarHBondContact O-NZ 2.77Å; S108-H144 PolarHBondContact OG-CD2 3.41Å
109H97.8Very high97.3Very high17 Ų1730.9 Ų30.98%0.07917%0.165CC..THydrogen-bonded Turntrans-81.19.3171.5-64-69.2000113.8H105 E106 I107 T111 H144 H148 H278 P282H105-H109 AromaticContact CE1-NE2 3.84Å; H105-H109 AromaticContact NE2-NE2 3.63Å; H105-H109 PolarHBondContact O-CD2 3.36Å; H105-H109 VanDerWaalsContact O-CD2 3.23Å; E106-H109 WeakPolarHBondContact O-CB 3.47Å; E106-H109 PolarHBondContact O-N 3.43Å; E106-H109 VanDerWaalsContact O-N 3.12Å; I107-H109 PolarHBondContact O-N 3.28Å; H109-T111 HydrophobicContact CB-CG2 3.9Å; H109-T111 PolarHBondContact O-N 3.47Å; H109-H144 AromaticContact CE1-CD2 3.72Å; H109-H144 AromaticContact CE1-NE2 3.47Å; H109-H144 PolarHBondContact CE1-NE2 3.16Å; H109-H144 AromaticContact NE2-CD2 3.38Å; H109-H144 PolarHBondContact NE2-CD2 3.01Å; H109-H144 AromaticContact NE2-NE2 2.9Å; H109-H144 PolarHBondContact NE2-NE2 2.91Å; H109-H148 AromaticContact CE1-CD2 3.41Å; H109-H148 PolarHBondContact CE1-CD2 3.41Å; H109-H148 VanDerWaalsContact CE1-CD2 3.41Å; H109-H148 AromaticContact CE1-NE2 3.4Å; H109-H148 PolarHBondContact CE1-NE2 3.07Å; H109-H148 AromaticContact NE2-CD2 3.93Å; H109-H148 AromaticContact NE2-NE2 3.51Å; H109-H278 AromaticContact CD2-CE1 3.57Å; H109-H278 AromaticContact CE1-CE1 3.76Å; H109-H278 AromaticContact CE1-NE2 3.93Å; H109-H278 AromaticContact NE2-CE1 3.21Å; H109-H278 PolarHBondContact NE2-CE1 3.15Å; H109-H278 AromaticContact NE2-NE2 3.33Å; H109-H278 PolarHBondContact NE2-NE2 2.87Å; H109-P282 WeakPolarHBondContact CB-O 3.45Å; H109-P282 PolarHBondContact ND1-O 2.91Å
110N97.6Very high97.4Very high16 Ų1637.4 Ų37.49%0.08619%0.188CC..THydrogen-bonded Turntrans60.124.7-176.9-50.9-44.4000114I107 S108 A112 G114 N115 N121 R122I107-N110 WeakPolarHBondContact O-CA 3.34Å; I107-N110 PolarHBondContact O-N 3.49Å; S108-N110 PolarHBondContact O-N 2.75Å; N110-A112 VanDerWaalsContact C-N 3.29Å; N110-A112 PolarHBondContact O-N 3.44Å; N110-G114 CarbonylContact O-C 3.16Å; N110-G114 WeakPolarHBondContact O-CA 3.27Å; N110-G114 PolarHBondContact O-N 3.46Å; N110-N115 WeakPolarHBondContact CB-OD1 3.45Å; N110-N115 PolarHBondContact ND2-OD1 2.94Å; N110-N121 WeakPolarHBondContact CA-OD1 3.44Å; N110-N121 PolarHBondContact O-OD1 3.36Å; N110-R122 VanDerWaalsContact OD1-CZ 3.28Å; N110-R122 PolarHBondContact OD1-NH1 3.42Å; N110-R122 PolarHBondContact OD1-NH2 2.87Å
111T97Very high97.4Very high4 Ų437.4 Ų37.43%0.02519%0.188CC..THydrogen-bonded Turntrans-75.4-15.3-174.861.90000113.1P55 D56 L59 E106 H109 P285P55-T111 CarbonylContact C-O 3.57Å; P55-T111 WeakPolarHBondContact CA-O 3.24Å; P55-T111 WeakPolarHBondContact CB-O 3.44Å; D56-T111 PolarHBondContact N-O 3.25Å; L59-T111 VanDerWaalsContact CD2-OG1 3.32Å; L59-T111 WeakPolarHBondContact CD2-OG1 3.02Å; E106-T111 PolarHBondContact O-OG1 2.99Å; H109-T111 HydrophobicContact CB-CG2 3.9Å; H109-T111 PolarHBondContact O-N 3.47Å; T111-P285 HydrophobicContact CG2-CB 4.24Å; T111-P285 HydrophobicContact CG2-CG 4.05Å
112A97.5Very high97.5Very high5 Ų538.4 Ų38.44%0.04119%0.191CC..THydrogen-bonded Turntrans-75.3-43178.800000113L59 I107 N110 N121 F124L59-A112 HydrophobicContact CD2-CB 4.02Å; L59-A112 HydrophobicContact CG-CB 4.43Å; I107-A112 HydrophobicContact CG1-CB 4.13Å; N110-A112 VanDerWaalsContact C-N 3.29Å; N110-A112 PolarHBondContact O-N 3.44Å; A112-N121 WeakPolarHBondContact CB-OD1 3.22Å; A112-N121 PolarHBondContact N-OD1 2.56Å; A112-F124 HydrophobicContact CB-CD1 4.18Å; A112-F124 HydrophobicContact CB-CE1 4.45Å
113F97.8Very high97.5Very high46 Ų4644.1 Ų44.120%0.20221%0.213CC..THydrogen-bonded Turntrans-123.2-4.1-177.6-57.6-86.9000114.8K60 K117 W120 N121 F124K60-F113 HydrophobicContact CB-CZ 4.26Å; K60-F113 HydrophobicContact CD-CE1 3.96Å; K60-F113 HydrophobicContact CD-CZ 4.25Å; F113-K117 HydrophobicContact CB-CB 3.92Å; F113-W120 HydrophobicContact CB-CB 4.24Å; F113-W120 HydrophobicContact CD1-CB 4.48Å; F113-W120 AromaticContact CD1-CE3 3.93Å; F113-W120 HydrophobicContact CD1-CE3 3.93Å; F113-W120 HydrophobicContact CD2-CB 4.07Å; F113-W120 HydrophobicContact CE1-CE3 4.12Å; F113-W120 HydrophobicContact CG-CB 4.01Å; F113-N121 PolarHBondContact N-OD1 2.8Å; F113-F124 HydrophobicContact CD2-CB 4.44Å; F113-F124 HydrophobicContact CE2-CB 3.56Å; F113-F124 AromaticContact CE2-CD1 3.79Å; F113-F124 HydrophobicContact CE2-CD1 3.79Å; F113-F124 HydrophobicContact CE2-CD2 4.16Å; F113-F124 AromaticContact CE2-CG 3.56Å; F113-F124 HydrophobicContact CE2-CG 3.56Å; F113-F124 HydrophobicContact CZ-CB 4.33Å; F113-F124 HydrophobicContact CZ-CD1 4.46Å; F113-F124 HydrophobicContact CZ-CD2 4.22Å; F113-F124 HydrophobicContact CZ-CG 4.09Å
114G96.4Very high97.5Very high11 Ų1145.2 Ų45.211%0.11322%0.217CC..  trans83.4166.4-176.700000113.5N110 N116 K117 N121N110-G114 CarbonylContact O-C 3.16Å; N110-G114 WeakPolarHBondContact O-CA 3.27Å; N110-G114 PolarHBondContact O-N 3.46Å; G114-N116 VanDerWaalsContact C-N 3.32Å; G114-N116 PolarHBondContact O-N 3.14Å; G114-K117 CarbonylContact O-C 3.49Å; G114-K117 PolarHBondContact O-N 2.97Å; G114-K117 VanDerWaalsContact O-N 3.14Å; G114-N121 PolarHBondContact O-ND2 3.15Å
115N94.8Very high97.5Very high107 Ų10745.5 Ų45.557%0.57222%0.22SC*.G310 helixtrans-63.3-34.4-177-69.3-41.4000113.3N110 K117 A118N110-N115 WeakPolarHBondContact CB-OD1 3.45Å; N110-N115 PolarHBondContact ND2-OD1 2.94Å; N115-K117 PolarHBondContact O-N 2.92Å; N115-K117 VanDerWaalsContact O-N 3.09Å; N115-A118 PolarHBondContact O-N 3.2Å
116N95.7Very high97.6Very high169 Ų16945.2 Ų45.290%0.90422%0.219SC*.G310 helixtrans-64-16.1177.9-62.3-7.5000113.1G114G114-N116 VanDerWaalsContact C-N 3.32Å; G114-N116 PolarHBondContact O-N 3.14Å
117K96.8Very high97.6Very high99 Ų9948.4 Ų48.443%0.4323%0.233SC..G310 helixtrans-123.644.3177.8-61.2-173178.9-170.70110.6F113 G114 N115 M119 W120 N121F113-K117 HydrophobicContact CB-CB 3.92Å; G114-K117 CarbonylContact O-C 3.49Å; G114-K117 PolarHBondContact O-N 2.97Å; G114-K117 VanDerWaalsContact O-N 3.14Å; N115-K117 PolarHBondContact O-N 2.92Å; N115-K117 VanDerWaalsContact O-N 3.09Å; K117-M119 VanDerWaalsContact C-N 3.27Å; K117-M119 PolarHBondContact O-N 3.28Å; K117-W120 HydrophobicContact CB-CB 4.1Å; K117-W120 HydrophobicContact CB-CD2 4.49Å; K117-W120 HydrophobicContact CB-CG 4.05Å; K117-W120 HydrophobicContact CD-CD2 4.1Å; K117-W120 HydrophobicContact CD-CE3 4.16Å; K117-W120 WeakPolarHBondContact O-CB 3.39Å; K117-W120 PolarHBondContact O-N 2.95Å; K117-N121 PolarHBondContact O-N 3.02Å; K117-N121 PolarHBondContact O-ND2 3.4Å
118A96.1Very high97.6Very high33 Ų3348.4 Ų48.427%0.27323%0.233SC..Hα-helixtrans-51.3-44-177.900000112.9N115 W120 N121 R122N115-A118 PolarHBondContact O-N 3.2Å; A118-W120 VanDerWaalsContact C-N 3.32Å; A118-W120 PolarHBondContact O-N 3.45Å; A118-N121 WeakPolarHBondContact O-CB 3.4Å; A118-N121 PolarHBondContact O-N 3.41Å; A118-N121 VanDerWaalsContact O-N 3.13Å; A118-R122 PolarHBondContact O-N 2.96Å; A118-R122 VanDerWaalsContact O-N 3.15Å
119M97.9Very high97.7Very high89 Ų8948.2 Ų48.244%0.43823%0.231SC..Hα-helixtrans-64.4-32.4178.6-70.2-57.2-64.800113.8K117 N121 R122 Y123 L201K117-M119 VanDerWaalsContact C-N 3.27Å; K117-M119 PolarHBondContact O-N 3.28Å; M119-N121 VanDerWaalsContact C-N 3.29Å; M119-N121 PolarHBondContact O-N 3.23Å; M119-R122 WeakPolarHBondContact O-CB 3.4Å; M119-R122 PolarHBondContact O-N 3.26Å; M119-R122 VanDerWaalsContact O-N 3.12Å; M119-R122 HydrophobicContact SD-CG 4.28Å; M119-Y123 HydrophobicContact CB-CE2 4.47Å; M119-Y123 HydrophobicContact CE-CE2 3.95Å; M119-Y123 VanDerWaalsContact O-CD2 3.23Å; M119-Y123 WeakPolarHBondContact O-CD2 3.29Å; M119-Y123 PolarHBondContact O-N 2.73Å; M119-Y123 VanDerWaalsContact O-N 3.09Å; M119-L201 HydrophobicContact CE-CD2 3.91Å
120W98.2Very high97.7Very high147 Ų14748.3 Ų48.356%0.55723%0.232SC*.Hα-helixtrans-66.6-36.8175.8-67.933.4000110.5F113 K117 A118 R122 F124F113-W120 HydrophobicContact CB-CB 4.24Å; F113-W120 HydrophobicContact CD1-CB 4.48Å; F113-W120 AromaticContact CD1-CE3 3.93Å; F113-W120 HydrophobicContact CD1-CE3 3.93Å; F113-W120 HydrophobicContact CD2-CB 4.07Å; F113-W120 HydrophobicContact CE1-CE3 4.12Å; F113-W120 HydrophobicContact CG-CB 4.01Å; K117-W120 HydrophobicContact CB-CB 4.1Å; K117-W120 HydrophobicContact CB-CD2 4.49Å; K117-W120 HydrophobicContact CB-CG 4.05Å; K117-W120 HydrophobicContact CD-CD2 4.1Å; K117-W120 HydrophobicContact CD-CE3 4.16Å; K117-W120 WeakPolarHBondContact O-CB 3.39Å; K117-W120 PolarHBondContact O-N 2.95Å; A118-W120 VanDerWaalsContact C-N 3.32Å; A118-W120 PolarHBondContact O-N 3.45Å; W120-R122 VanDerWaalsContact C-N 3.33Å; W120-F124 WeakPolarHBondContact O-CB 3.3Å; W120-F124 PolarHBondContact O-N 3.47Å
121N98.4Very high97.7Very high0 Ų047.6 Ų47.60%023%0.228CC..Hα-helixtrans-64.6-36.4172-64.2-86.7000111.6I107 N110 A112 F113 G114 K117 A118 M119 A125I107-N121 HydrophobicContact CG2-CB 3.88Å; I107-N121 WeakPolarHBondContact CG2-O 3.45Å; N110-N121 WeakPolarHBondContact CA-OD1 3.44Å; N110-N121 PolarHBondContact O-OD1 3.36Å; A112-N121 WeakPolarHBondContact CB-OD1 3.22Å; A112-N121 PolarHBondContact N-OD1 2.56Å; F113-N121 PolarHBondContact N-OD1 2.8Å; G114-N121 PolarHBondContact O-ND2 3.15Å; K117-N121 PolarHBondContact O-N 3.02Å; K117-N121 PolarHBondContact O-ND2 3.4Å; A118-N121 WeakPolarHBondContact O-CB 3.4Å; A118-N121 PolarHBondContact O-N 3.41Å; A118-N121 VanDerWaalsContact O-N 3.13Å; M119-N121 VanDerWaalsContact C-N 3.29Å; M119-N121 PolarHBondContact O-N 3.23Å; N121-A125 VanDerWaalsContact O-CB 3.29Å; N121-A125 WeakPolarHBondContact O-CB 3.47Å; N121-A125 PolarHBondContact O-N 2.92Å
122R98.1Very high97.7Very high32 Ų3247.4 Ų47.412%0.12123%0.227CC..Hα-helixtrans-63.2-51.9177.2-56.9-61.6161.3-91-25.7112N110 A118 M119 W120 F124 A125 M126 L201N110-R122 VanDerWaalsContact OD1-CZ 3.28Å; N110-R122 PolarHBondContact OD1-NH1 3.42Å; N110-R122 PolarHBondContact OD1-NH2 2.87Å; A118-R122 PolarHBondContact O-N 2.96Å; A118-R122 VanDerWaalsContact O-N 3.15Å; M119-R122 WeakPolarHBondContact O-CB 3.4Å; M119-R122 PolarHBondContact O-N 3.26Å; M119-R122 VanDerWaalsContact O-N 3.12Å; M119-R122 HydrophobicContact SD-CG 4.28Å; W120-R122 VanDerWaalsContact C-N 3.33Å; R122-F124 VanDerWaalsContact C-N 3.31Å; R122-F124 PolarHBondContact O-N 2.91Å; R122-A125 WeakPolarHBondContact O-CB 3.37Å; R122-A125 PolarHBondContact O-N 2.98Å; R122-M126 WeakPolarHBondContact O-CG 3.36Å; R122-M126 PolarHBondContact O-N 3.26Å; R122-M126 VanDerWaalsContact O-N 3.1Å; R122-L201 HydrophobicContact CB-CD1 4.38Å; R122-L201 HydrophobicContact CB-CD2 4.2Å; R122-L201 HydrophobicContact CG-CD1 3.97Å
123Y98.6Very high97.6Very high128 Ų12847.3 Ų47.350%0.50223%0.227SC..Hα-helixtrans-66.2-36.1178.8-63.5-54.7000112.2M119 A125 M126 F127M119-Y123 HydrophobicContact CB-CE2 4.47Å; M119-Y123 HydrophobicContact CE-CE2 3.95Å; M119-Y123 VanDerWaalsContact O-CD2 3.23Å; M119-Y123 WeakPolarHBondContact O-CD2 3.29Å; M119-Y123 PolarHBondContact O-N 2.73Å; M119-Y123 VanDerWaalsContact O-N 3.09Å; Y123-A125 VanDerWaalsContact C-N 3.34Å; Y123-M126 HydrophobicContact CD1-SD 4.17Å; Y123-M126 PolarHBondContact O-N 3.4Å; Y123-F127 PolarHBondContact O-N 3.01Å
124F98.8Very high97.5Very high23 Ų2349.2 Ų49.210%0.10124%0.239CC..Hα-helixtrans-68.3-33.7175.3-168.4-112.3000112.9K60 V63 I107 A112 F113 W120 R122 F127 A128K60-F124 HydrophobicContact CB-CE1 4Å; K60-F124 HydrophobicContact CB-CE2 4.4Å; K60-F124 HydrophobicContact CB-CZ 3.78Å; K60-F124 WeakPolarHBondContact O-CZ 3.33Å; V63-F124 HydrophobicContact CB-CE1 3.8Å; V63-F124 HydrophobicContact CB-CZ 3.66Å; V63-F124 HydrophobicContact CG1-CE1 3.66Å; V63-F124 HydrophobicContact CG1-CE2 4.38Å; V63-F124 HydrophobicContact CG1-CZ 3.49Å; V63-F124 VanDerWaalsContact CG1-CZ 3.49Å; V63-F124 HydrophobicContact CG2-CE1 4.22Å; I107-F124 HydrophobicContact CD1-CD1 3.6Å; I107-F124 HydrophobicContact CD1-CE1 3.79Å; I107-F124 HydrophobicContact CG1-CD1 4.06Å; I107-F124 HydrophobicContact CG1-CE1 4.36Å; I107-F124 HydrophobicContact CG2-CD1 4.45Å; A112-F124 HydrophobicContact CB-CD1 4.18Å; A112-F124 HydrophobicContact CB-CE1 4.45Å; F113-F124 HydrophobicContact CD2-CB 4.44Å; F113-F124 HydrophobicContact CE2-CB 3.56Å; F113-F124 AromaticContact CE2-CD1 3.79Å; F113-F124 HydrophobicContact CE2-CD1 3.79Å; F113-F124 HydrophobicContact CE2-CD2 4.16Å; F113-F124 AromaticContact CE2-CG 3.56Å; F113-F124 HydrophobicContact CE2-CG 3.56Å; F113-F124 HydrophobicContact CZ-CB 4.33Å; F113-F124 HydrophobicContact CZ-CD1 4.46Å; F113-F124 HydrophobicContact CZ-CD2 4.22Å; F113-F124 HydrophobicContact CZ-CG 4.09Å; W120-F124 WeakPolarHBondContact O-CB 3.3Å; W120-F124 PolarHBondContact O-N 3.47Å; R122-F124 VanDerWaalsContact C-N 3.31Å; R122-F124 PolarHBondContact O-N 2.91Å; F124-F127 HydrophobicContact CD2-CD1 4.09Å; F124-F127 AromaticContact CE2-CD1 3.79Å; F124-F127 HydrophobicContact CE2-CD1 3.79Å; F124-F127 HydrophobicContact CE2-CE1 4.21Å; F124-F127 WeakPolarHBondContact O-CB 3.47Å; F124-F127 PolarHBondContact O-N 2.77Å; F124-A128 WeakPolarHBondContact O-CB 3.46Å; F124-A128 PolarHBondContact O-N 3Å
125A98.7Very high97.5Very high7 Ų750.6 Ų50.66%0.05825%0.245CC..Hα-helixtrans-64-40.3171.600000111.3I107 N121 R122 Y123 F127 A128 N129I107-A125 HydrophobicContact CB-CB 4.45Å; I107-A125 HydrophobicContact CG2-CB 3.8Å; N121-A125 VanDerWaalsContact O-CB 3.29Å; N121-A125 WeakPolarHBondContact O-CB 3.47Å; N121-A125 PolarHBondContact O-N 2.92Å; R122-A125 WeakPolarHBondContact O-CB 3.37Å; R122-A125 PolarHBondContact O-N 2.98Å; Y123-A125 VanDerWaalsContact C-N 3.34Å; A125-F127 VanDerWaalsContact C-N 3.33Å; A125-F127 PolarHBondContact O-N 2.97Å; A125-A128 CarbonylContact O-C 3.42Å; A125-A128 WeakPolarHBondContact O-CB 3.45Å; A125-A128 PolarHBondContact O-N 3.1Å; A125-N129 VanDerWaalsContact O-CB 3.32Å; A125-N129 WeakPolarHBondContact O-CB 3.39Å; A125-N129 PolarHBondContact O-N 2.83Å
126M98.8Very high97.5Very high6 Ų648 Ų483%0.0323%0.228CC..Hα-helixtrans-63.5-37.9174-63.2174.3-171.100112.1R122 Y123 N129 L130 A138 L201 T204 N205R122-M126 WeakPolarHBondContact O-CG 3.36Å; R122-M126 PolarHBondContact O-N 3.26Å; R122-M126 VanDerWaalsContact O-N 3.1Å; Y123-M126 HydrophobicContact CD1-SD 4.17Å; Y123-M126 PolarHBondContact O-N 3.4Å; M126-N129 VanDerWaalsContact O-CB 3.28Å; M126-N129 WeakPolarHBondContact O-CB 3.36Å; M126-N129 PolarHBondContact O-N 3.25Å; M126-L130 PolarHBondContact O-N 3.43Å; M126-A138 HydrophobicContact CE-CB 4.47Å; M126-L201 HydrophobicContact CE-CB 4.15Å; M126-L201 HydrophobicContact CE-CD2 3.76Å; M126-L201 WeakPolarHBondContact CE-O 3.26Å; M126-T204 HydrophobicContact CE-CG2 4.33Å; M126-T204 HydrophobicContact SD-CG2 3.94Å; M126-N205 HydrophobicContact CE-CB 4.09Å; M126-N205 HydrophobicContact CG-CB 4.1Å; M126-N205 HydrophobicContact SD-CB 4.28Å
127F98.8Very high97.6Very high74 Ų7440.2 Ų40.233%0.32519%0.187SC..Hα-helixtrans-64.3-45172.5171-101.1000112.1V67 Y123 F124 A125 N129 L130V67-F127 HydrophobicContact CB-CE1 4Å; V67-F127 HydrophobicContact CB-CZ 3.87Å; V67-F127 HydrophobicContact CG1-CE1 4.16Å; V67-F127 HydrophobicContact CG1-CE2 3.95Å; V67-F127 HydrophobicContact CG1-CZ 3.59Å; V67-F127 HydrophobicContact CG2-CD1 4.26Å; V67-F127 HydrophobicContact CG2-CE1 3.76Å; V67-F127 HydrophobicContact CG2-CZ 4.08Å; Y123-F127 PolarHBondContact O-N 3.01Å; F124-F127 HydrophobicContact CD2-CD1 4.09Å; F124-F127 AromaticContact CE2-CD1 3.79Å; F124-F127 HydrophobicContact CE2-CD1 3.79Å; F124-F127 HydrophobicContact CE2-CE1 4.21Å; F124-F127 WeakPolarHBondContact O-CB 3.47Å; F124-F127 PolarHBondContact O-N 2.77Å; A125-F127 VanDerWaalsContact C-N 3.33Å; A125-F127 PolarHBondContact O-N 2.97Å; F127-N129 PolarHBondContact O-N 2.97Å; F127-L130 HydrophobicContact CD2-CD1 4.02Å; F127-L130 HydrophobicContact CE2-CD1 4.48Å; F127-L130 WeakPolarHBondContact O-CG 3.27Å; F127-L130 PolarHBondContact O-N 2.97Å
128A98.6Very high97.7Very high0 Ų036.1 Ų36.10%017%0.171CC..Hα-helixtrans-62.8-27.1173.800000112.2V63 M100 I104 I107 F124 A125 L130 P131V63-A128 HydrophobicContact CG1-CB 3.64Å; M100-A128 WeakPolarHBondContact CG-O 3.47Å; M100-A128 HydrophobicContact SD-CB 3.87Å; M100-A128 VanDerWaalsContact SD-O 3.35Å; I104-A128 HydrophobicContact CD1-CB 4.35Å; I104-A128 HydrophobicContact CG1-CB 3.79Å; I107-A128 HydrophobicContact CD1-CB 3.97Å; F124-A128 WeakPolarHBondContact O-CB 3.46Å; F124-A128 PolarHBondContact O-N 3Å; A125-A128 CarbonylContact O-C 3.42Å; A125-A128 WeakPolarHBondContact O-CB 3.45Å; A125-A128 PolarHBondContact O-N 3.1Å; A128-L130 VanDerWaalsContact C-N 3.33Å; A128-P131 VanDerWaalsContact O-CD 3.26Å; A128-P131 WeakPolarHBondContact O-CD 3.41Å
129N98.6Very high97.7Very high0 Ų036.2 Ų36.20%017%0.17CC..Hα-helixtrans-71.5-24.5178.8-161.4120.2000112.9I104 A125 M126 F127 P131 I132 L134 Y136 S137 Q209I104-N129 HydrophobicContact CD1-CB 4.12Å; A125-N129 VanDerWaalsContact O-CB 3.32Å; A125-N129 WeakPolarHBondContact O-CB 3.39Å; A125-N129 PolarHBondContact O-N 2.83Å; M126-N129 VanDerWaalsContact O-CB 3.28Å; M126-N129 WeakPolarHBondContact O-CB 3.36Å; M126-N129 PolarHBondContact O-N 3.25Å; F127-N129 PolarHBondContact O-N 2.97Å; N129-P131 VanDerWaalsContact C-N 3.33Å; N129-P131 VanDerWaalsContact O-N 3.15Å; N129-I132 VanDerWaalsContact O-CB 3.27Å; N129-I132 WeakPolarHBondContact O-CB 3.48Å; N129-I132 PolarHBondContact O-N 3.46Å; N129-L134 PolarHBondContact ND2-O 3.44Å; N129-L134 PolarHBondContact OD1-O 2.88Å; N129-Y136 WeakPolarHBondContact OD1-CD1 3.22Å; N129-Y136 WeakPolarHBondContact OD1-CE1 3.25Å; N129-Y136 PolarHBondContact OD1-N 3.14Å; N129-S137 VanDerWaalsContact OD1-CB 3.24Å; N129-S137 WeakPolarHBondContact OD1-CB 3.15Å; N129-S137 PolarHBondContact OD1-N 3.17Å; N129-Q209 PolarHBondContact ND2-OE1 3.36Å; N129-Q209 PolarHBondContact O-OE1 2.84Å; N129-Q209 VanDerWaalsContact O-OE1 3.11Å
130L98.5Very high97.7Very high19 Ų1934.4 Ų34.410%0.09916%0.16CC..G310 helixtrans-49.4-47-172.9-62177.5000113.4F71 M126 F127 A128 I132 G133 V208 Q209 F212 M228F71-L130 HydrophobicContact CZ-CD1 4.44Å; M126-L130 PolarHBondContact O-N 3.43Å; F127-L130 HydrophobicContact CD2-CD1 4.02Å; F127-L130 HydrophobicContact CE2-CD1 4.48Å; F127-L130 WeakPolarHBondContact O-CG 3.27Å; F127-L130 PolarHBondContact O-N 2.97Å; A128-L130 VanDerWaalsContact C-N 3.33Å; L130-I132 PolarHBondContact O-N 2.77Å; L130-I132 VanDerWaalsContact O-N 3.14Å; L130-G133 PolarHBondContact O-N 2.94Å; L130-V208 HydrophobicContact CD2-CG1 3.81Å; L130-Q209 PolarHBondContact O-NE2 3.09Å; L130-F212 HydrophobicContact CB-CD1 4.01Å; L130-F212 HydrophobicContact CB-CE1 4.06Å; L130-F212 HydrophobicContact CB-CG 4.29Å; L130-F212 HydrophobicContact CB-CZ 4.42Å; L130-F212 HydrophobicContact CD1-CD2 4.45Å; L130-F212 HydrophobicContact CD2-CB 3.77Å; L130-F212 HydrophobicContact CD2-CD1 4.19Å; L130-F212 HydrophobicContact CD2-CD2 4.4Å; L130-F212 HydrophobicContact CD2-CG 3.84Å; L130-F212 HydrophobicContact CG-CG 4.48Å; L130-F212 WeakPolarHBondContact O-CE1 3.18Å; L130-M228 VanDerWaalsContact O-SD 3.36Å
131P97.3Very high97.6Very high0 Ų028.1 Ų28.10%014%0.136CC..G310 helixtrans-73.2-1-179.2-17.835.1000115.7V67 Q70 F74 N97 M100 A128 N129 M228V67-P131 HydrophobicContact CB-CG 4.43Å; V67-P131 HydrophobicContact CG1-CG 4.28Å; V67-P131 HydrophobicContact CG2-CG 4.09Å; Q70-P131 HydrophobicContact CB-CB 3.72Å; Q70-P131 HydrophobicContact CB-CG 3.98Å; Q70-P131 HydrophobicContact CG-CB 3.76Å; Q70-P131 HydrophobicContact CG-CG 4.28Å; F74-P131 HydrophobicContact CE2-CB 4.43Å; F74-P131 HydrophobicContact CZ-CB 4.03Å; N97-P131 PolarHBondContact ND2-O 3.41Å; N97-P131 PolarHBondContact OD1-O 2.82Å; N97-P131 VanDerWaalsContact OD1-O 3.06Å; M100-P131 HydrophobicContact CE-CG 4.38Å; A128-P131 VanDerWaalsContact O-CD 3.26Å; A128-P131 WeakPolarHBondContact O-CD 3.41Å; N129-P131 VanDerWaalsContact C-N 3.33Å; N129-P131 VanDerWaalsContact O-N 3.15Å; P131-M228 VanDerWaalsContact O-CG 3.28Å; P131-M228 WeakPolarHBondContact O-CG 3.46Å
132I97.2Very high97.5Very high1 Ų129.8 Ų29.81%0.00514%0.142CC..G310 helixtrans-87-30.1178.6-57.2-61.7000111.3N97 M100 T101 I104 N129 L130 L134 Y136 S232N97-I132 HydrophobicContact CB-CD1 4.06Å; N97-I132 WeakPolarHBondContact O-CD1 3.43Å; M100-I132 HydrophobicContact CB-CD1 4.04Å; M100-I132 HydrophobicContact CG-CD1 4.21Å; M100-I132 HydrophobicContact CG-CG1 4.44Å; T101-I132 HydrophobicContact CG2-CD1 3.81Å; I104-I132 HydrophobicContact CD1-CG1 4.38Å; N129-I132 VanDerWaalsContact O-CB 3.27Å; N129-I132 WeakPolarHBondContact O-CB 3.48Å; N129-I132 PolarHBondContact O-N 3.46Å; L130-I132 PolarHBondContact O-N 2.77Å; L130-I132 VanDerWaalsContact O-N 3.14Å; I132-L134 VanDerWaalsContact C-N 3.27Å; I132-L134 PolarHBondContact O-N 2.67Å; I132-Y136 HydrophobicContact CB-CE1 4.44Å; I132-Y136 HydrophobicContact CG1-CE1 4.17Å; I132-Y136 HydrophobicContact CG2-CD1 4.13Å; I132-Y136 HydrophobicContact CG2-CE1 3.99Å; I132-S232 WeakPolarHBondContact CA-OG 3.07Å; I132-S232 WeakPolarHBondContact O-CB 3.45Å; I132-S232 PolarHBondContact O-OG 3.46Å
133G96.2Very high97.4Very high3 Ų329.2 Ų29.23%0.03114%0.141CC..SBendtrans77.82.2-179.400000115.4L130 Q209 L229L130-G133 PolarHBondContact O-N 2.94Å; G133-Q209 VanDerWaalsContact CA-NE2 3.31Å; G133-L229 WeakPolarHBondContact O-CD2 3.33Å
134L95.8Very high97.4Very high86 Ų8624.1 Ų24.145%0.4512%0.121SC..SBendtrans-134.6128.5178.3-68.6173.9000110.2N129 I132 Y136 L229N129-L134 PolarHBondContact ND2-O 3.44Å; N129-L134 PolarHBondContact OD1-O 2.88Å; I132-L134 VanDerWaalsContact C-N 3.27Å; I132-L134 PolarHBondContact O-N 2.67Å; L134-Y136 VanDerWaalsContact C-N 3.33Å; L134-Y136 PolarHBondContact O-N 2.68Å; L134-L229 HydrophobicContact CD2-CD2 4.38Å; L134-L229 HydrophobicContact CG-CD2 4.31Å
135P96Very high97.3Very high40 Ų4025.2 Ų25.226%0.2613%0.128SC..  trans-78.871.2-170.131.7-36.1000113.2N205 V206 Q209P135-N205 HydrophobicContact CB-CB 4.41Å; P135-V206 HydrophobicContact CB-CB 4.38Å; P135-V206 HydrophobicContact CB-CG2 3.96Å; P135-V206 HydrophobicContact CG-CB 4.32Å; P135-V206 HydrophobicContact CG-CG2 3.71Å; P135-Q209 HydrophobicContact CB-CB 3.74Å; P135-Q209 HydrophobicContact CB-CG 4.23Å; P135-Q209 HydrophobicContact CG-CB 4.43Å
136Y95.3Very high97.2Very high53 Ų5325.2 Ų25.221%0.20813%0.127CC..  trans-105.5-19.8-170.188.7-70.7000114.6T101 I104 N129 I132 L134 A138 S139 F140T101-Y136 WeakPolarHBondContact CA-OH 2.95Å; T101-Y136 VanDerWaalsContact CB-OH 3.3Å; T101-Y136 WeakPolarHBondContact CB-OH 3.49Å; T101-Y136 WeakPolarHBondContact CG2-OH 3.3Å; I104-Y136 HydrophobicContact CD1-CE1 3.7Å; I104-Y136 WeakPolarHBondContact CD1-OH 3.38Å; N129-Y136 WeakPolarHBondContact OD1-CD1 3.22Å; N129-Y136 WeakPolarHBondContact OD1-CE1 3.25Å; N129-Y136 PolarHBondContact OD1-N 3.14Å; I132-Y136 HydrophobicContact CB-CE1 4.44Å; I132-Y136 HydrophobicContact CG1-CE1 4.17Å; I132-Y136 HydrophobicContact CG2-CD1 4.13Å; I132-Y136 HydrophobicContact CG2-CE1 3.99Å; L134-Y136 VanDerWaalsContact C-N 3.33Å; L134-Y136 PolarHBondContact O-N 2.68Å; Y136-A138 VanDerWaalsContact C-N 3.3Å; Y136-A138 PolarHBondContact O-N 3.16Å; Y136-A138 VanDerWaalsContact O-N 3.16Å; Y136-S139 PolarHBondContact O-N 3.24Å; Y136-F140 HydrophobicContact CD2-CB 3.61Å; Y136-F140 HydrophobicContact CD2-CD2 4.07Å; Y136-F140 HydrophobicContact CD2-CG 4.07Å; Y136-F140 HydrophobicContact CE2-CB 3.77Å; Y136-F140 AromaticContact CE2-CD2 3.71Å; Y136-F140 HydrophobicContact CE2-CD2 3.71Å; Y136-F140 AromaticContact CE2-CG 3.75Å; Y136-F140 HydrophobicContact CE2-CG 3.75Å; Y136-F140 VanDerWaalsContact O-CB 3.24Å; Y136-F140 WeakPolarHBondContact O-CB 2.98Å; Y136-F140 PolarHBondContact O-N 2.93Å
137S97.8Very high97.1Very high5 Ų525.5 Ų25.54%0.03513%0.128CC..Hα-helixtrans-57.1-36.9-169.769.70000114.9N129 K141 N205N129-S137 VanDerWaalsContact OD1-CB 3.24Å; N129-S137 WeakPolarHBondContact OD1-CB 3.15Å; N129-S137 PolarHBondContact OD1-N 3.17Å; S137-K141 PolarHBondContact O-N 3.48Å; S137-N205 PolarHBondContact N-OD1 2.82Å; S137-N205 PolarHBondContact OG-OD1 3.2Å
138A97.6Very high97Very high13 Ų1322.7 Ų22.711%0.10712%0.116CC..Hα-helixtrans-67.8-50.117800000112M126 Y136 L201 E202 N205M126-A138 HydrophobicContact CE-CB 4.47Å; Y136-A138 VanDerWaalsContact C-N 3.3Å; Y136-A138 PolarHBondContact O-N 3.16Å; Y136-A138 VanDerWaalsContact O-N 3.16Å; A138-L201 HydrophobicContact CB-CB 4.26Å; A138-E202 HydrophobicContact CB-CG 3.79Å; A138-N205 HydrophobicContact CB-CB 4.03Å; A138-N205 PolarHBondContact N-OD1 3.09Å; A138-N205 VanDerWaalsContact N-OD1 3.13Å
139S96.6Very high96.8Very high34 Ų3429 Ų2924%0.23814%0.14CC..Hα-helixtrans-67.3-42.4177.6-57.90000111.8Y136 K141 R142 Y143 E202Y136-S139 PolarHBondContact O-N 3.24Å; S139-K141 VanDerWaalsContact C-N 3.28Å; S139-K141 PolarHBondContact O-N 3.02Å; S139-R142 PolarHBondContact O-N 3.03Å; S139-Y143 VanDerWaalsContact O-CD2 3.24Å; S139-Y143 WeakPolarHBondContact O-CD2 3.35Å; S139-Y143 PolarHBondContact O-N 2.93Å; S139-E202 WeakPolarHBondContact CB-OE1 3.39Å; S139-E202 WeakPolarHBondContact OG-CG 3.04Å; S139-E202 PolarHBondContact OG-OE1 2.97Å
140F97.2Very high96.6Very high52 Ų5230.4 Ų30.423%0.22815%0.145CC..Hα-helixtrans-49.5-51179.9175.1-93.3000110.9I104 H105 Y136 R142 Y143 H144I104-F140 HydrophobicContact CG2-CD1 4.26Å; H105-F140 HydrophobicContact CB-CE1 4.09Å; H105-F140 HydrophobicContact CB-CZ 4.11Å; Y136-F140 HydrophobicContact CD2-CB 3.61Å; Y136-F140 HydrophobicContact CD2-CD2 4.07Å; Y136-F140 HydrophobicContact CD2-CG 4.07Å; Y136-F140 HydrophobicContact CE2-CB 3.77Å; Y136-F140 AromaticContact CE2-CD2 3.71Å; Y136-F140 HydrophobicContact CE2-CD2 3.71Å; Y136-F140 AromaticContact CE2-CG 3.75Å; Y136-F140 HydrophobicContact CE2-CG 3.75Å; Y136-F140 VanDerWaalsContact O-CB 3.24Å; Y136-F140 WeakPolarHBondContact O-CB 2.98Å; Y136-F140 PolarHBondContact O-N 2.93Å; F140-R142 VanDerWaalsContact C-N 3.31Å; F140-R142 PolarHBondContact O-N 3.26Å; F140-Y143 PolarHBondContact O-N 2.83Å; F140-H144 HydrophobicContact CD1-CB 4.21Å; F140-H144 HydrophobicContact CE1-CB 3.76Å; F140-H144 AromaticContact CE1-CD2 3.96Å; F140-H144 AromaticContact CE1-CG 3.74Å; F140-H144 HydrophobicContact CE2-CB 4.41Å; F140-H144 HydrophobicContact CZ-CB 3.89Å; F140-H144 AromaticContact CZ-CG 3.69Å; F140-H144 AromaticContact CZ-ND1 3.86Å; F140-H144 WeakPolarHBondContact O-CB 3.1Å; F140-H144 PolarHBondContact O-N 2.7Å
141K96.9Very high96.5Very high14 Ų1429.6 Ų29.66%0.06114%0.141CC..Hα-helixtrans-54.9-46.6179171.7179.8168.193.90112.4S108 S137 S139 H144 L145S108-K141 PolarHBondContact O-NZ 2.77Å; S137-K141 PolarHBondContact O-N 3.48Å; S139-K141 VanDerWaalsContact C-N 3.28Å; S139-K141 PolarHBondContact O-N 3.02Å; K141-H144 PolarHBondContact O-N 3.18Å; K141-L145 HydrophobicContact CG-CD1 4.14Å; K141-L145 HydrophobicContact CG-CG 4.18Å; K141-L145 WeakPolarHBondContact O-CB 3.43Å; K141-L145 WeakPolarHBondContact O-CG 3.39Å; K141-L145 PolarHBondContact O-N 3.2Å
142R95.9Very high96.4Very high35 Ų3529.7 Ų29.713%0.13214%0.142CC..Hα-helixtrans-62-47.8-174.1-65.3176.968.8-168.65.2110.4S139 F140 D146 K196 P197 E202 E339S139-R142 PolarHBondContact O-N 3.03Å; F140-R142 VanDerWaalsContact C-N 3.31Å; F140-R142 PolarHBondContact O-N 3.26Å; R142-D146 PolarHBondContact O-N 3.08Å; R142-K196 HydrophobicContact CB-CD 4.06Å; R142-P197 PolarHBondContact NH1-O 3.3Å; R142-E202 IonicContact NH1-OE1 3.84Å; R142-E202 IonicContact NH1-OE2 3.67Å; R142-E202 PolarHBondContact NH1-OE2 3.26Å; R142-E202 VanDerWaalsContact NH1-OE2 3.07Å; R142-E339 PolarHBondContact NE-O 2.74Å; R142-E339 VanDerWaalsContact NE-O 3.09Å; R142-E339 PolarHBondContact NH2-O 3.43Å
143Y97.5Very high96.4Very high21 Ų2129.6 Ų29.68%0.08214%0.141CC..Hα-helixtrans-69.6-38177.8-68-65.7000112.5S139 F140 D146 H147 V158 P190 N194 K196S139-Y143 VanDerWaalsContact O-CD2 3.24Å; S139-Y143 WeakPolarHBondContact O-CD2 3.35Å; S139-Y143 PolarHBondContact O-N 2.93Å; F140-Y143 PolarHBondContact O-N 2.83Å; Y143-D146 WeakPolarHBondContact O-CB 3.32Å; Y143-D146 PolarHBondContact O-N 3.06Å; Y143-H147 WeakPolarHBondContact O-CB 2.99Å; Y143-H147 PolarHBondContact O-N 3.22Å; Y143-V158 HydrophobicContact CD1-CB 4.41Å; Y143-V158 HydrophobicContact CD1-CG1 3.87Å; Y143-V158 HydrophobicContact CD1-CG2 3.63Å; Y143-V158 HydrophobicContact CE1-CG1 4.11Å; Y143-V158 HydrophobicContact CE1-CG2 4.49Å; Y143-V158 HydrophobicContact CG-CG2 3.82Å; Y143-P190 HydrophobicContact CD1-CB 4.18Å; Y143-P190 HydrophobicContact CD2-CB 4.02Å; Y143-P190 HydrophobicContact CE1-CB 3.89Å; Y143-P190 HydrophobicContact CE2-CB 3.73Å; Y143-P190 HydrophobicContact CG-CB 4.24Å; Y143-N194 VanDerWaalsContact CE1-O 3.27Å; Y143-N194 WeakPolarHBondContact CE1-O 3.44Å; Y143-N194 PolarHBondContact OH-O 2.84Å; Y143-K196 HydrophobicContact CD1-CD 4.1Å; Y143-K196 HydrophobicContact CE1-CD 3.59Å; Y143-K196 HydrophobicContact CE1-CG 3.79Å; Y143-K196 HydrophobicContact CE2-CD 4.34Å; Y143-K196 PolarHBondContact OH-N 3.09Å; Y143-K196 VanDerWaalsContact OH-N 3.17Å
144H97.5Very high96.4Very high20 Ų2033 Ų339%0.09316%0.159CC..Hα-helixtrans-66.7-38.5179.6-173.658.3000112.9H105 S108 H109 F140 K141 H147 H148H105-H144 AromaticContact CD2-CD2 3.89Å; H105-H144 AromaticContact CD2-CE1 3.24Å; H105-H144 PolarHBondContact CD2-CE1 3.36Å; H105-H144 AromaticContact CD2-NE2 3.04Å; H105-H144 PolarHBondContact CD2-NE2 3.17Å; H105-H144 AromaticContact NE2-CE1 3.3Å; H105-H144 PolarHBondContact NE2-CE1 3.39Å; H105-H144 VanDerWaalsContact NE2-CE1 3.3Å; H105-H144 AromaticContact NE2-NE2 3.05Å; H105-H144 PolarHBondContact NE2-NE2 2.94Å; S108-H144 PolarHBondContact OG-CD2 3.41Å; H109-H144 AromaticContact CE1-CD2 3.72Å; H109-H144 AromaticContact CE1-NE2 3.47Å; H109-H144 PolarHBondContact CE1-NE2 3.16Å; H109-H144 AromaticContact NE2-CD2 3.38Å; H109-H144 PolarHBondContact NE2-CD2 3.01Å; H109-H144 AromaticContact NE2-NE2 2.9Å; H109-H144 PolarHBondContact NE2-NE2 2.91Å; F140-H144 HydrophobicContact CD1-CB 4.21Å; F140-H144 HydrophobicContact CE1-CB 3.76Å; F140-H144 AromaticContact CE1-CD2 3.96Å; F140-H144 AromaticContact CE1-CG 3.74Å; F140-H144 HydrophobicContact CE2-CB 4.41Å; F140-H144 HydrophobicContact CZ-CB 3.89Å; F140-H144 AromaticContact CZ-CG 3.69Å; F140-H144 AromaticContact CZ-ND1 3.86Å; F140-H144 WeakPolarHBondContact O-CB 3.1Å; F140-H144 PolarHBondContact O-N 2.7Å; K141-H144 PolarHBondContact O-N 3.18Å; H144-H147 WeakPolarHBondContact O-CB 3.19Å; H144-H147 PolarHBondContact O-N 3.41Å; H144-H148 AromaticContact CD2-CD2 3.83Å; H144-H148 AromaticContact CD2-NE2 3.96Å; H144-H148 AromaticContact CE1-CD2 3.47Å; H144-H148 PolarHBondContact CE1-CD2 3.08Å; H144-H148 VanDerWaalsContact CE1-CD2 3.47Å; H144-H148 AromaticContact CE1-NE2 3.09Å; H144-H148 PolarHBondContact CE1-NE2 2.96Å; H144-H148 AromaticContact NE2-CD2 3.3Å; H144-H148 PolarHBondContact NE2-CD2 2.82Å; H144-H148 VanDerWaalsContact NE2-CD2 3.3Å; H144-H148 AromaticContact NE2-NE2 2.98Å; H144-H148 PolarHBondContact NE2-NE2 3.45Å; H144-H148 PolarHBondContact O-CD2 3.17Å; H144-H148 PolarHBondContact O-N 2.85Å
145L96.4Very high96.3Very high47 Ų4730.4 Ų30.425%0.24615%0.153CC..Hα-helixtrans-67.2-37.9173.2-70-171.5000112.3K141 H147 H148 R149K141-L145 HydrophobicContact CG-CD1 4.14Å; K141-L145 HydrophobicContact CG-CG 4.18Å; K141-L145 WeakPolarHBondContact O-CB 3.43Å; K141-L145 WeakPolarHBondContact O-CG 3.39Å; K141-L145 PolarHBondContact O-N 3.2Å; L145-H147 VanDerWaalsContact C-N 3.32Å; L145-H148 PolarHBondContact O-N 3.49Å; L145-R149 VanDerWaalsContact O-CB 3.32Å; L145-R149 WeakPolarHBondContact O-CB 3.35Å; L145-R149 PolarHBondContact O-N 3.17Å
146D96.5Very high96.3Very high7 Ų729.5 Ų29.54%0.03715%0.146CC..Hα-helixtrans-62.2-42.7172.7-75.7-4.8000110.7R142 Y143 H148 R149 Y150 I156 K196 Q338R142-D146 PolarHBondContact O-N 3.08Å; Y143-D146 WeakPolarHBondContact O-CB 3.32Å; Y143-D146 PolarHBondContact O-N 3.06Å; D146-H148 PolarHBondContact O-N 3.09Å; D146-R149 PolarHBondContact O-N 3.44Å; D146-Y150 WeakPolarHBondContact O-CA 3.23Å; D146-Y150 WeakPolarHBondContact O-CB 3.24Å; D146-Y150 PolarHBondContact O-N 3.17Å; D146-I156 HydrophobicContact CB-CG2 4.24Å; D146-K196 IonicContact OD1-NZ 2.89Å; D146-K196 WeakPolarHBondContact OD2-CE 3.32Å; D146-K196 IonicContact OD2-NZ 3.71Å; D146-K196 PolarHBondContact OD2-NZ 2.76Å; D146-Q338 WeakPolarHBondContact OD2-CG 3.27Å; D146-Q338 PolarHBondContact OD2-NE2 3.09Å
147H96.9Very high96.4Very high11 Ų1127.1 Ų27.15%0.05114%0.136CC..Hα-helixtrans-58.5-45.8175.9169.875000112.6Y143 H144 L145 R149 L151 D157 D159 H249 H279Y143-H147 WeakPolarHBondContact O-CB 2.99Å; Y143-H147 PolarHBondContact O-N 3.22Å; H144-H147 WeakPolarHBondContact O-CB 3.19Å; H144-H147 PolarHBondContact O-N 3.41Å; L145-H147 VanDerWaalsContact C-N 3.32Å; H147-R149 VanDerWaalsContact C-N 3.32Å; H147-R149 PolarHBondContact O-N 3.04Å; H147-L151 WeakPolarHBondContact CE1-CD1 3.42Å; H147-L151 WeakPolarHBondContact O-CA 3.17Å; H147-L151 WeakPolarHBondContact O-CB 3.25Å; H147-L151 PolarHBondContact O-N 3.4Å; H147-D157 IonicContact CE1-OD1 3.34Å; H147-D157 IonicContact CE1-OD2 3.38Å; H147-D157 IonicContact CG-OD1 2.86Å; H147-D157 VanDerWaalsContact ND1-CG 3.28Å; H147-D157 IonicContact ND1-OD1 3.15Å; H147-D157 PolarHBondContact ND1-OD1 3.18Å; H147-D157 IonicContact ND1-OD2 3.37Å; H147-D157 PolarHBondContact ND1-OD2 3.35Å; H147-D157 VanDerWaalsContact ND1-OD2 3.09Å; H147-D159 IonicContact CE1-OD2 3.94Å; H147-H249 AromaticContact CE1-CD2 3.4Å; H147-H249 PolarHBondContact CE1-CD2 3Å; H147-H249 VanDerWaalsContact CE1-CD2 3.4Å; H147-H249 AromaticContact CE1-NE2 3.36Å; H147-H249 PolarHBondContact CE1-NE2 3.33Å; H147-H249 AromaticContact NE2-CD2 3.44Å; H147-H249 PolarHBondContact NE2-CD2 3.22Å; H147-H249 AromaticContact NE2-CE1 3.9Å; H147-H249 AromaticContact NE2-NE2 3Å; H147-H249 PolarHBondContact NE2-NE2 3.48Å; H147-H279 AromaticContact CD2-CE1 3.76Å; H147-H279 AromaticContact NE2-CE1 3.31Å; H147-H279 PolarHBondContact NE2-CE1 2.98Å; H147-H279 VanDerWaalsContact NE2-CE1 3.31Å; H147-H279 AromaticContact NE2-NE2 3.64Å
148H96.6Very high96.3Very high15 Ų1527.4 Ų27.47%0.06914%0.138CC..Hα-helixtrans-65.5-35.5175.1-83.2-68.7000113.7Q33 H109 H144 L145 D146 H278 H279Q33-H148 PolarHBondContact NE2-O 2.89Å; H109-H148 AromaticContact CE1-CD2 3.41Å; H109-H148 PolarHBondContact CE1-CD2 3.41Å; H109-H148 VanDerWaalsContact CE1-CD2 3.41Å; H109-H148 AromaticContact CE1-NE2 3.4Å; H109-H148 PolarHBondContact CE1-NE2 3.07Å; H109-H148 AromaticContact NE2-CD2 3.93Å; H109-H148 AromaticContact NE2-NE2 3.51Å; H144-H148 AromaticContact CD2-CD2 3.83Å; H144-H148 AromaticContact CD2-NE2 3.96Å; H144-H148 AromaticContact CE1-CD2 3.47Å; H144-H148 PolarHBondContact CE1-CD2 3.08Å; H144-H148 VanDerWaalsContact CE1-CD2 3.47Å; H144-H148 AromaticContact CE1-NE2 3.09Å; H144-H148 PolarHBondContact CE1-NE2 2.96Å; H144-H148 AromaticContact NE2-CD2 3.3Å; H144-H148 PolarHBondContact NE2-CD2 2.82Å; H144-H148 VanDerWaalsContact NE2-CD2 3.3Å; H144-H148 AromaticContact NE2-NE2 2.98Å; H144-H148 PolarHBondContact NE2-NE2 3.45Å; H144-H148 PolarHBondContact O-CD2 3.17Å; H144-H148 PolarHBondContact O-N 2.85Å; L145-H148 PolarHBondContact O-N 3.49Å; D146-H148 PolarHBondContact O-N 3.09Å; H148-H278 AromaticContact CE1-CD2 3.33Å; H148-H278 PolarHBondContact CE1-CD2 2.68Å; H148-H278 AromaticContact CE1-NE2 3.09Å; H148-H278 PolarHBondContact CE1-NE2 3.31Å; H148-H278 AromaticContact NE2-CD2 3.71Å; H148-H278 AromaticContact NE2-CE1 3.93Å; H148-H278 AromaticContact NE2-NE2 3.01Å; H148-H278 PolarHBondContact NE2-NE2 2.84Å; H148-H279 AromaticContact CE1-CD2 3.51Å; H148-H279 AromaticContact CE1-CE1 3.5Å; H148-H279 PolarHBondContact CE1-CE1 3.5Å; H148-H279 VanDerWaalsContact CE1-CE1 3.5Å; H148-H279 AromaticContact CE1-CG 3.75Å; H148-H279 AromaticContact CE1-ND1 3.75Å; H148-H279 AromaticContact CE1-NE2 3.29Å; H148-H279 PolarHBondContact CE1-NE2 3.44Å; H148-H279 VanDerWaalsContact CE1-NE2 3.29Å; H148-H279 AromaticContact ND1-CD2 3.84Å; H148-H279 AromaticContact ND1-CE1 3.34Å; H148-H279 PolarHBondContact ND1-CE1 3.17Å; H148-H279 VanDerWaalsContact ND1-CE1 3.34Å; H148-H279 AromaticContact ND1-CG 3.61Å; H148-H279 AromaticContact ND1-ND1 3.3Å; H148-H279 PolarHBondContact ND1-ND1 3.24Å; H148-H279 AromaticContact ND1-NE2 3.63Å
149R94.6Very high96.2Very high133 Ų13327.9 Ų27.950%0.50214%0.139SC..Hα-helixtrans-79.6-42.8-175.3-174172.8-172.5172.39.6112.2L145 D146 H147 K337L145-R149 VanDerWaalsContact O-CB 3.32Å; L145-R149 WeakPolarHBondContact O-CB 3.35Å; L145-R149 PolarHBondContact O-N 3.17Å; D146-R149 PolarHBondContact O-N 3.44Å; H147-R149 VanDerWaalsContact C-N 3.32Å; H147-R149 PolarHBondContact O-N 3.04Å; R149-K337 PolarHBondContact NH1-O 3.1Å
150Y95.2Very high96.2Very high29 Ų2926.5 Ų26.511%0.11413%0.129CC..SBendtrans-122.839-172.1-57-65.7000110.6D146 G152 G153 I156 L332 V336 K337D146-Y150 WeakPolarHBondContact O-CA 3.23Å; D146-Y150 WeakPolarHBondContact O-CB 3.24Å; D146-Y150 PolarHBondContact O-N 3.17Å; Y150-G152 PolarHBondContact O-N 2.95Å; Y150-G153 VanDerWaalsContact O-CA 3.32Å; Y150-G153 WeakPolarHBondContact O-CA 3.47Å; Y150-G153 PolarHBondContact O-N 2.94Å; Y150-I156 HydrophobicContact CD2-CG2 3.76Å; Y150-I156 HydrophobicContact CG-CG2 4.03Å; Y150-L332 HydrophobicContact CD1-CD1 3.95Å; Y150-L332 HydrophobicContact CD1-CD2 4.03Å; Y150-L332 HydrophobicContact CG-CD1 4.15Å; Y150-V336 HydrophobicContact CD2-CG1 4.43Å; Y150-V336 HydrophobicContact CE2-CG1 3.96Å; Y150-K337 PolarHBondContact OH-N 2.94Å
151L95.8Very high96.2Very high3 Ų324.1 Ų24.12%0.01612%0.118CC..THydrogen-bonded Turntrans-41.8135.9176.5179.664000109.3Q33 H147 G153 E257 R330Q33-L151 HydrophobicContact CB-CB 4.14Å; Q33-L151 HydrophobicContact CB-CD2 4.46Å; Q33-L151 HydrophobicContact CG-CB 4.45Å; H147-L151 WeakPolarHBondContact CE1-CD1 3.42Å; H147-L151 WeakPolarHBondContact O-CA 3.17Å; H147-L151 WeakPolarHBondContact O-CB 3.25Å; H147-L151 PolarHBondContact O-N 3.4Å; L151-G153 PolarHBondContact O-N 3.13Å; L151-E257 HydrophobicContact CD2-CG 4.45Å; L151-R330 VanDerWaalsContact O-CD 3.3Å; L151-R330 WeakPolarHBondContact O-CD 3.34Å; L151-R330 PolarHBondContact O-NH1 3.14Å
152G96Very high96.1Very high1 Ų125.2 Ų25.21%0.0113%0.127CC..THydrogen-bonded Turntrans67.7-2.3179.400000115.3Y150 D154 D157 K329 R330Y150-G152 PolarHBondContact O-N 2.95Å; G152-D154 PolarHBondContact O-N 3.29Å; G152-D157 PolarHBondContact N-OD2 3.35Å; G152-K329 CarbonylContact O-C 3.38Å; G152-K329 VanDerWaalsContact O-CA 3.29Å; G152-K329 WeakPolarHBondContact O-CA 3.3Å; G152-R330 WeakPolarHBondContact O-CG 3.47Å; G152-R330 PolarHBondContact O-N 2.75Å
153G96.5Very high96.1Very high0 Ų028 Ų280%014%0.144CC..BIsolated β-bridgetrans-68.6117.1-172.400000111.9Y150 L151 G155 I156 D157Y150-G153 VanDerWaalsContact O-CA 3.32Å; Y150-G153 WeakPolarHBondContact O-CA 3.47Å; Y150-G153 PolarHBondContact O-N 2.94Å; L151-G153 PolarHBondContact O-N 3.13Å; G153-G155 PolarHBondContact O-N 3.23Å; G153-I156 PolarHBondContact O-N 3.44Å; G153-I156 VanDerWaalsContact O-N 3.07Å; G153-D157 PolarHBondContact O-N 3.47Å
154D95.5Very high96Very high74 Ų7432.5 Ų32.540%0.39616%0.164SC..THydrogen-bonded Turntrans-58.6133-179.5-173.436.3000112W28 G152 I156 K329 R330W28-D154 HydrophobicContact CH2-CB 4Å; W28-D154 HydrophobicContact CZ3-CB 4.01Å; G152-D154 PolarHBondContact O-N 3.29Å; D154-I156 PolarHBondContact O-N 2.93Å; D154-K329 WeakPolarHBondContact OD1-CE 3.27Å; D154-K329 IonicContact OD1-NZ 2.78Å; D154-K329 PolarHBondContact OD1-NZ 3.47Å; D154-R330 PolarHBondContact N-O 3.16Å
155G94.8Very high96Very high32 Ų3231.8 Ų31.833%0.3316%0.161SC..THydrogen-bonded Turntrans69.30.3-176.700000115.8G153 N194G153-G155 PolarHBondContact O-N 3.23Å; G155-N194 WeakPolarHBondContact O-CB 3.28Å
156I95.6Very high95.9Very high20 Ų2029.5 Ų29.510%0.10315%0.149CC..THydrogen-bonded Turntrans-121.4-49.8-176.8-60-60.1000111.6D146 Y150 G153 D154 V158 L332 V336D146-I156 HydrophobicContact CB-CG2 4.24Å; Y150-I156 HydrophobicContact CD2-CG2 3.76Å; Y150-I156 HydrophobicContact CG-CG2 4.03Å; G153-I156 PolarHBondContact O-N 3.44Å; G153-I156 VanDerWaalsContact O-N 3.07Å; D154-I156 PolarHBondContact O-N 2.93Å; I156-V158 PolarHBondContact O-N 3.37Å; I156-V158 VanDerWaalsContact O-N 3.13Å; I156-L332 HydrophobicContact CB-CD1 4.01Å; I156-L332 HydrophobicContact CG1-CD1 3.58Å; I156-L332 HydrophobicContact CG2-CD1 4.46Å; I156-V336 HydrophobicContact CD1-CG1 3.84Å; I156-V336 HydrophobicContact CG1-CG1 4.12Å
157D96.3Very high95.8Very high3 Ų336.9 Ų36.92%0.01618%0.176CC..  trans-78.696.4177.8-174.72.9000110.2H147 G152 G153 D159 I160H147-D157 IonicContact CE1-OD1 3.34Å; H147-D157 IonicContact CE1-OD2 3.38Å; H147-D157 IonicContact CG-OD1 2.86Å; H147-D157 VanDerWaalsContact ND1-CG 3.28Å; H147-D157 IonicContact ND1-OD1 3.15Å; H147-D157 PolarHBondContact ND1-OD1 3.18Å; H147-D157 IonicContact ND1-OD2 3.37Å; H147-D157 PolarHBondContact ND1-OD2 3.35Å; H147-D157 VanDerWaalsContact ND1-OD2 3.09Å; G152-D157 PolarHBondContact N-OD2 3.35Å; G153-D157 PolarHBondContact O-N 3.47Å; D157-D159 PolarHBondContact O-N 3.49Å; D157-D159 VanDerWaalsContact OD1-CB 3.28Å; D157-D159 WeakPolarHBondContact OD1-CB 3.39Å; D157-D159 PolarHBondContact OD1-N 2.96Å; D157-D159 VanDerWaalsContact OD1-N 3.08Å; D157-I160 HydrophobicContact CB-CD1 4.19Å; D157-I160 HydrophobicContact CB-CG1 4.42Å; D157-I160 PolarHBondContact O-N 2.92Å
158V96.1Very high95.7Very high12 Ų1239.6 Ų39.67%0.07319%0.188CC..THydrogen-bonded Turntrans-76.3-1.3-178.6-55.40000113.2Y143 I156 I160 R189 P190 I193 N194Y143-V158 HydrophobicContact CD1-CB 4.41Å; Y143-V158 HydrophobicContact CD1-CG1 3.87Å; Y143-V158 HydrophobicContact CD1-CG2 3.63Å; Y143-V158 HydrophobicContact CE1-CG1 4.11Å; Y143-V158 HydrophobicContact CE1-CG2 4.49Å; Y143-V158 HydrophobicContact CG-CG2 3.82Å; I156-V158 PolarHBondContact O-N 3.37Å; I156-V158 VanDerWaalsContact O-N 3.13Å; V158-I160 VanDerWaalsContact C-N 3.26Å; V158-R189 WeakPolarHBondContact O-CD 3.16Å; V158-P190 HydrophobicContact CB-CB 4.16Å; V158-P190 HydrophobicContact CB-CG 4.18Å; V158-P190 HydrophobicContact CG1-CB 4.25Å; V158-P190 HydrophobicContact CG2-CB 4.03Å; V158-P190 HydrophobicContact CG2-CG 3.86Å; V158-I193 HydrophobicContact CG1-CB 4.17Å; V158-I193 HydrophobicContact CG1-CG2 4.17Å; V158-N194 HydrophobicContact CG1-CB 3.73Å
159D95.6Very high95.7Very high22 Ų2239.4 Ų39.412%0.11819%0.187CC..THydrogen-bonded Turntrans-72.6-23.1173.1-173.463.5000112H147 D157 Y186 R189 R327H147-D159 IonicContact CE1-OD2 3.94Å; D157-D159 PolarHBondContact O-N 3.49Å; D157-D159 VanDerWaalsContact OD1-CB 3.28Å; D157-D159 WeakPolarHBondContact OD1-CB 3.39Å; D157-D159 PolarHBondContact OD1-N 2.96Å; D157-D159 VanDerWaalsContact OD1-N 3.08Å; D159-Y186 WeakPolarHBondContact OD1-CE1 3.27Å; D159-Y186 VanDerWaalsContact OD1-CZ 3.23Å; D159-Y186 PolarHBondContact OD1-OH 2.85Å; D159-R189 PolarHBondContact O-NH1 3.36Å; D159-R327 PolarHBondContact O-NH1 3.09Å; D159-R327 VanDerWaalsContact O-NH1 3.1Å; D159-R327 IonicContact OD2-CZ 3.49Å; D159-R327 IonicContact OD2-NH1 2.73Å; D159-R327 PolarHBondContact OD2-NH1 3.23Å; D159-R327 IonicContact OD2-NH2 3.52Å; D159-R327 PolarHBondContact OD2-NH2 3.15Å
160I96.5Very high95.6Very high5 Ų533.8 Ų33.83%0.02617%0.168CC..SBendtrans-75.5126.3179.5-52.6173.4000109.7Y26 D157 V158 R189 I193 R327 K329Y26-I160 HydrophobicContact CD1-CG2 4.08Å; Y26-I160 HydrophobicContact CE1-CG2 3.7Å; D157-I160 HydrophobicContact CB-CD1 4.19Å; D157-I160 HydrophobicContact CB-CG1 4.42Å; D157-I160 PolarHBondContact O-N 2.92Å; V158-I160 VanDerWaalsContact C-N 3.26Å; I160-R189 WeakPolarHBondContact O-CD 3.31Å; I160-I193 WeakPolarHBondContact O-CD1 3.49Å; I160-R327 HydrophobicContact CG2-CB 4.14Å; I160-R327 HydrophobicContact CG2-CG 4.34Å; I160-K329 HydrophobicContact CD1-CG 3.87Å; I160-K329 HydrophobicContact CG2-CD 4.27Å; I160-K329 HydrophobicContact CG2-CG 4.18Å
161P96.5Very high95.6Very high2 Ų234.1 Ų34.11%0.01317%0.173CC..PPolyproline II helixtrans-54.3152.6176.1-25.135.4000112.8Y26 E165 W178 Y250 P324Y26-P161 PolarHBondContact OH-O 3.27Å; P161-E165 HydrophobicContact CB-CB 3.75Å; P161-E165 HydrophobicContact CB-CG 4.48Å; P161-W178 HydrophobicContact CG-CZ2 4.06Å; P161-Y250 HydrophobicContact CG-CE1 4.43Å; P161-Y250 WeakPolarHBondContact CG-OH 3.34Å; P161-P324 HydrophobicContact CB-CB 3.82Å; P161-P324 HydrophobicContact CG-CB 3.85Å
162T96.6Very high95.6Very high38 Ų3839.7 Ų39.723%0.23319%0.194CC..PPolyproline II helixtrans-68.4163.3172.458.90000112.7Y26 F164 E165 G166 R189 I193Y26-T162 PolarHBondContact OH-O 2.68Å; T162-F164 PolarHBondContact O-N 2.85Å; T162-E165 PolarHBondContact N-OE1 2.78Å; T162-E165 WeakPolarHBondContact O-CB 3Å; T162-E165 PolarHBondContact O-N 2.85Å; T162-E165 WeakPolarHBondContact OG1-CG 3.26Å; T162-E165 PolarHBondContact OG1-N 3.16Å; T162-E165 PolarHBondContact OG1-OE1 2.87Å; T162-E165 VanDerWaalsContact OG1-OE1 3.07Å; T162-G166 PolarHBondContact O-N 3.1Å; T162-R189 HydrophobicContact CG2-CG 4.17Å; T162-I193 HydrophobicContact CG2-CD1 4.07Å; T162-I193 HydrophobicContact CG2-CG1 4.09Å
163D95.3Very high95.6Very high93 Ų9345.8 Ų45.850%0.49723%0.226SC..Hα-helixtrans-57.2-38.8174.5-72.4-55.7000111.8Y26 E165 G166 W167 Y325Y26-D163 VanDerWaalsContact CE2-OD1 3.27Å; Y26-D163 WeakPolarHBondContact CE2-OD1 3.41Å; Y26-D163 PolarHBondContact OH-N 2.6Å; Y26-D163 VanDerWaalsContact OH-N 3.16Å; D163-E165 VanDerWaalsContact C-N 3.35Å; D163-E165 PolarHBondContact O-N 3.08Å; D163-G166 PolarHBondContact O-N 3.17Å; D163-W167 VanDerWaalsContact O-CB 3.3Å; D163-W167 WeakPolarHBondContact O-CB 3.33Å; D163-W167 PolarHBondContact O-N 3.11Å; D163-Y325 PolarHBondContact O-OH 3.18Å
164F95.5Very high95.6Very high116 Ų11650.6 Ų50.651%0.50924%0.244SC..Hα-helixtrans-60.6-44.6174.5172.7-99.2000111.6T162 W167 F168 F169T162-F164 PolarHBondContact O-N 2.85Å; F164-W167 HydrophobicContact CD2-CE3 4.13Å; F164-W167 HydrophobicContact CD2-CZ3 4.19Å; F164-W167 HydrophobicContact CE2-CE3 4.36Å; F164-W167 HydrophobicContact CE2-CZ3 4.06Å; F164-W167 PolarHBondContact O-N 3.48Å; F164-F168 HydrophobicContact CD2-CB 4.31Å; F164-F168 HydrophobicContact CE1-CB 4.34Å; F164-F168 HydrophobicContact CE2-CB 3.92Å; F164-F168 HydrophobicContact CE2-CD2 4.33Å; F164-F168 HydrophobicContact CE2-CG 4.14Å; F164-F168 HydrophobicContact CZ-CB 3.93Å; F164-F168 HydrophobicContact CZ-CD1 4.18Å; F164-F168 HydrophobicContact CZ-CD2 4.34Å; F164-F168 AromaticContact CZ-CG 3.9Å; F164-F168 HydrophobicContact CZ-CG 3.9Å; F164-F168 WeakPolarHBondContact O-CB 3.45Å; F164-F168 PolarHBondContact O-N 3.01Å; F164-F169 HydrophobicContact CE1-CE2 4.32Å
165E96.4Very high95.7Very high4 Ų447.1 Ų47.12%0.01923%0.225CC..Hα-helixtrans-61.3-46177.2-73171.8-94.100111.2P161 T162 D163 F169 W178 F185 R189 P324P161-E165 HydrophobicContact CB-CB 3.75Å; P161-E165 HydrophobicContact CB-CG 4.48Å; T162-E165 PolarHBondContact N-OE1 2.78Å; T162-E165 WeakPolarHBondContact O-CB 3Å; T162-E165 PolarHBondContact O-N 2.85Å; T162-E165 WeakPolarHBondContact OG1-CG 3.26Å; T162-E165 PolarHBondContact OG1-N 3.16Å; T162-E165 PolarHBondContact OG1-OE1 2.87Å; T162-E165 VanDerWaalsContact OG1-OE1 3.07Å; D163-E165 VanDerWaalsContact C-N 3.35Å; D163-E165 PolarHBondContact O-N 3.08Å; E165-F169 HydrophobicContact CB-CD2 4.36Å; E165-F169 WeakPolarHBondContact O-CB 3.17Å; E165-F169 WeakPolarHBondContact O-CD2 3.27Å; E165-F169 PolarHBondContact O-N 3.32Å; E165-F169 VanDerWaalsContact O-N 3.08Å; E165-W178 PolarHBondContact OE2-NE1 3.48Å; E165-F185 HydrophobicContact CG-CD1 4.3Å; E165-F185 HydrophobicContact CG-CE1 4.39Å; E165-F185 WeakPolarHBondContact OE2-CG 3.2Å; E165-R189 IonicContact OE1-CZ 3.96Å; E165-R189 IonicContact OE1-NE 3.4Å; E165-R189 PolarHBondContact OE1-NE 3.19Å; E165-R189 IonicContact OE1-NH2 3.8Å; E165-R189 IonicContact OE2-CZ 3.86Å; E165-R189 IonicContact OE2-NE 3.47Å; E165-R189 IonicContact OE2-NH2 2.75Å; E165-R189 PolarHBondContact OE2-NH2 2.83Å; E165-P324 HydrophobicContact CB-CB 4.46Å; E165-P324 WeakPolarHBondContact O-CG 3.4Å
166G94.5Very high95.8Very high0 Ų049.2 Ų49.20%023%0.225CC..Hα-helixtrans-57.2-52175.900000113.3T162 D163 Y325T162-G166 PolarHBondContact O-N 3.1Å; D163-G166 PolarHBondContact O-N 3.17Å; G166-Y325 WeakPolarHBondContact O-CD2 3.31Å; G166-Y325 WeakPolarHBondContact O-CE2 3.47Å
167W94.6Very high95.9Very high161 Ų16151 Ų5161%0.6124%0.237SC*.Hα-helixtrans-69.9-46.5-176.8167.779.8000112.4D163 F164 C170 Y325D163-W167 VanDerWaalsContact O-CB 3.3Å; D163-W167 WeakPolarHBondContact O-CB 3.33Å; D163-W167 PolarHBondContact O-N 3.11Å; F164-W167 HydrophobicContact CD2-CE3 4.13Å; F164-W167 HydrophobicContact CD2-CZ3 4.19Å; F164-W167 HydrophobicContact CE2-CE3 4.36Å; F164-W167 HydrophobicContact CE2-CZ3 4.06Å; F164-W167 PolarHBondContact O-N 3.48Å; W167-C170 PolarHBondContact O-SG 3.21Å; W167-Y325 HydrophobicContact CB-CE2 4.22Å; W167-Y325 PolarHBondContact N-OH 2.71Å
168F95.7Very high95.9Very high69 Ų6950.8 Ų50.830%0.30324%0.236SC..Hα-helixtrans-75.3-46-172.5-174.9-103.7000111.8F164 C170 R174F164-F168 HydrophobicContact CD2-CB 4.31Å; F164-F168 HydrophobicContact CE1-CB 4.34Å; F164-F168 HydrophobicContact CE2-CB 3.92Å; F164-F168 HydrophobicContact CE2-CD2 4.33Å; F164-F168 HydrophobicContact CE2-CG 4.14Å; F164-F168 HydrophobicContact CZ-CB 3.93Å; F164-F168 HydrophobicContact CZ-CD1 4.18Å; F164-F168 HydrophobicContact CZ-CD2 4.34Å; F164-F168 AromaticContact CZ-CG 3.9Å; F164-F168 HydrophobicContact CZ-CG 3.9Å; F164-F168 WeakPolarHBondContact O-CB 3.45Å; F164-F168 PolarHBondContact O-N 3.01Å; F168-C170 VanDerWaalsContact C-N 3.27Å; F168-C170 PolarHBondContact O-N 3.3Å; F168-R174 WeakPolarHBondContact O-CD 3Å; F168-R174 PolarHBondContact O-NH1 3.06Å; F168-R174 VanDerWaalsContact O-NH1 3.1Å
169F96.1Very high95.9Very high11 Ų1150.2 Ų50.25%0.04823%0.232CC..THydrogen-bonded Turntrans-91.144.7-174.4-57.8-79.3000113F164 E165 R174 K175 V177 W178 F185 P324F164-F169 HydrophobicContact CE1-CE2 4.32Å; E165-F169 HydrophobicContact CB-CD2 4.36Å; E165-F169 WeakPolarHBondContact O-CB 3.17Å; E165-F169 WeakPolarHBondContact O-CD2 3.27Å; E165-F169 PolarHBondContact O-N 3.32Å; E165-F169 VanDerWaalsContact O-N 3.08Å; F169-R174 HydrophobicContact CB-CB 4.38Å; F169-R174 HydrophobicContact CD1-CB 3.91Å; F169-R174 WeakPolarHBondContact CD1-O 3.42Å; F169-K175 WeakPolarHBondContact O-CG 3.27Å; F169-V177 HydrophobicContact CE1-CG1 4.3Å; F169-W178 HydrophobicContact CB-CB 3.82Å; F169-W178 HydrophobicContact CB-CG 4.02Å; F169-W178 HydrophobicContact CD1-CB 3.61Å; F169-W178 HydrophobicContact CD1-CG 4.3Å; F169-W178 HydrophobicContact CD2-CB 4.22Å; F169-W178 AromaticContact CD2-CD1 3.29Å; F169-W178 HydrophobicContact CD2-CG 4.03Å; F169-W178 HydrophobicContact CE1-CB 4.14Å; F169-W178 AromaticContact CE2-CD1 3.67Å; F169-W178 HydrophobicContact CG-CB 3.64Å; F169-W178 AromaticContact CG-CD1 3.62Å; F169-W178 AromaticContact CG-CG 3.89Å; F169-W178 HydrophobicContact CG-CG 3.89Å; F169-F185 HydrophobicContact CE2-CE1 4.32Å; F169-F185 HydrophobicContact CE2-CE2 4.06Å; F169-F185 AromaticContact CE2-CZ 3.54Å; F169-F185 HydrophobicContact CE2-CZ 3.54Å; F169-F185 HydrophobicContact CZ-CE2 4.13Å; F169-F185 AromaticContact CZ-CZ 3.58Å; F169-F185 HydrophobicContact CZ-CZ 3.58Å; F169-P324 HydrophobicContact CB-CG 4.04Å; F169-P324 WeakPolarHBondContact O-CD 3.11Å
170C93Very high95.8Very high15 Ų1552.5 Ų52.510%0.10124%0.244CC..  trans-96.2-1.4-177.463.10000115.2V21 W167 F168V21-C170 HydrophobicContact CG1-CB 4.1Å; W167-C170 PolarHBondContact O-SG 3.21Å; F168-C170 VanDerWaalsContact C-N 3.27Å; F168-C170 PolarHBondContact O-N 3.3Å
171T94.3Very high95.8Very high36 Ų3655.2 Ų55.222%0.22126%0.258CS..SBendtrans-110.4157.1177.863.30000110.9L173 R174 K175T171-L173 PolarHBondContact O-N 3.12Å; T171-R174 CarbonylContact O-C 3.56Å; T171-R174 PolarHBondContact O-N 3.25Å; T171-R174 WeakPolarHBondContact OG1-CB 3.31Å; T171-R174 WeakPolarHBondContact OG1-CD 3.42Å; T171-R174 VanDerWaalsContact OG1-CG 3.23Å; T171-R174 WeakPolarHBondContact OG1-CG 3.5Å; T171-K175 WeakPolarHBondContact O-CG 3.45Å; T171-K175 PolarHBondContact O-N 3.43Å
172R96.1Very high95.6Very high120 Ų12055.1 Ų55.145%0.45326%0.258SS..Hα-helixtrans-51.2-51.7-176.4-53.1-173.9-171.4167.50.2113.8R174 K175 F176 I317 M318 D320R172-R174 VanDerWaalsContact C-N 3.32Å; R172-R174 PolarHBondContact O-N 2.92Å; R172-K175 PolarHBondContact O-N 3.31Å; R172-F176 PolarHBondContact O-N 3.11Å; R172-I317 WeakPolarHBondContact CA-O 3.39Å; R172-I317 HydrophobicContact CB-CG2 4.47Å; R172-I317 WeakPolarHBondContact CB-O 3.47Å; R172-I317 WeakPolarHBondContact CG-O 3.1Å; R172-M318 PolarHBondContact NE-O 3.14Å; R172-D320 WeakPolarHBondContact CG-OD1 3.38Å; R172-D320 IonicContact CZ-OD1 2.85Å; R172-D320 IonicContact CZ-OD2 3.6Å; R172-D320 IonicContact NE-OD1 2.68Å; R172-D320 PolarHBondContact NE-OD1 3.36Å; R172-D320 IonicContact NE-OD2 2.68Å; R172-D320 PolarHBondContact NE-OD2 3.19Å; R172-D320 IonicContact NH2-OD1 3.98Å; R172-D320 IonicContact NH2-OD2 3.2Å; R172-D320 PolarHBondContact NH2-OD2 3.4Å
173L96.6Very high95.4Very high128 Ų12854.1 Ų54.167%0.6725%0.252SS*.Hα-helixtrans-61.5-41.6178.6177.661.5000111.6T171 F176 V177T171-L173 PolarHBondContact O-N 3.12Å; L173-F176 WeakPolarHBondContact O-CB 3.37Å; L173-F176 PolarHBondContact O-N 2.86Å; L173-V177 WeakPolarHBondContact O-CG2 3.45Å; L173-V177 PolarHBondContact O-N 3.4Å; L173-V177 VanDerWaalsContact O-N 3.07Å
174R96.7Very high95.3Very high102 Ų10254.1 Ų54.139%0.38525%0.251SS..Hα-helixtrans-70.9-40.4179.9-63-177.9-168.7172.5-1.1111.1F168 F169 T171 R172 F176 V177 W178F168-R174 WeakPolarHBondContact O-CD 3Å; F168-R174 PolarHBondContact O-NH1 3.06Å; F168-R174 VanDerWaalsContact O-NH1 3.1Å; F169-R174 HydrophobicContact CB-CB 4.38Å; F169-R174 HydrophobicContact CD1-CB 3.91Å; F169-R174 WeakPolarHBondContact CD1-O 3.42Å; T171-R174 CarbonylContact O-C 3.56Å; T171-R174 PolarHBondContact O-N 3.25Å; T171-R174 WeakPolarHBondContact OG1-CB 3.31Å; T171-R174 WeakPolarHBondContact OG1-CD 3.42Å; T171-R174 VanDerWaalsContact OG1-CG 3.23Å; T171-R174 WeakPolarHBondContact OG1-CG 3.5Å; R172-R174 VanDerWaalsContact C-N 3.32Å; R172-R174 PolarHBondContact O-N 2.92Å; R174-F176 VanDerWaalsContact C-N 3.28Å; R174-F176 PolarHBondContact O-N 2.75Å; R174-V177 CarbonylContact O-C 3.55Å; R174-V177 PolarHBondContact O-N 3.32Å; R174-V177 VanDerWaalsContact O-N 3.12Å; R174-W178 WeakPolarHBondContact O-CB 3.47Å; R174-W178 PolarHBondContact O-N 3.33Å
175K97Very high95.2Very high0 Ų050.1 Ų50.10%023%0.234CC..Hα-helixtrans-58.1-40.7172.4-72.2-173.2-64.61770112.3F169 T171 R172 W178 I179 F316 I317 D319 L322F169-K175 WeakPolarHBondContact O-CG 3.27Å; T171-K175 WeakPolarHBondContact O-CG 3.45Å; T171-K175 PolarHBondContact O-N 3.43Å; R172-K175 PolarHBondContact O-N 3.31Å; K175-W178 WeakPolarHBondContact O-CB 3.24Å; K175-W178 PolarHBondContact O-N 3.39Å; K175-I179 PolarHBondContact O-N 3.09Å; K175-F316 HydrophobicContact CB-CD1 4.36Å; K175-F316 HydrophobicContact CB-CE1 4.12Å; K175-F316 HydrophobicContact CD-CD1 4.36Å; K175-F316 HydrophobicContact CD-CE1 4.1Å; K175-F316 HydrophobicContact CD-CZ 4.47Å; K175-F316 VanDerWaalsContact CD-O 3.28Å; K175-F316 WeakPolarHBondContact CD-O 3.45Å; K175-F316 WeakPolarHBondContact CE-O 3.29Å; K175-F316 HydrophobicContact CG-CE1 4.12Å; K175-F316 PolarHBondContact NZ-O 2.79Å; K175-I317 WeakPolarHBondContact CE-O 3.36Å; K175-I317 PolarHBondContact NZ-O 3.38Å; K175-D319 PolarHBondContact NZ-O 2.97Å; K175-L322 VanDerWaalsContact CD-O 3.31Å; K175-L322 WeakPolarHBondContact CD-O 3.35Å; K175-L322 PolarHBondContact NZ-O 3.29Å
176F97.1Very high95Very high77 Ų7752.7 Ų52.734%0.33824%0.243SC..Hα-helixtrans-60.3-47.2173.3174.6-105.3000112R172 L173 R174 W178 I179 I180 L238 I317R172-F176 PolarHBondContact O-N 3.11Å; L173-F176 WeakPolarHBondContact O-CB 3.37Å; L173-F176 PolarHBondContact O-N 2.86Å; R174-F176 VanDerWaalsContact C-N 3.28Å; R174-F176 PolarHBondContact O-N 2.75Å; F176-W178 VanDerWaalsContact C-N 3.3Å; F176-W178 PolarHBondContact O-N 2.93Å; F176-I179 PolarHBondContact O-N 3.13Å; F176-I180 HydrophobicContact CD1-CD1 4.08Å; F176-I180 HydrophobicContact CE1-CD1 3.56Å; F176-I180 HydrophobicContact CE2-CD1 4.43Å; F176-I180 HydrophobicContact CZ-CD1 3.77Å; F176-I180 PolarHBondContact O-N 3.48Å; F176-L238 HydrophobicContact CD2-CD1 4.48Å; F176-L238 HydrophobicContact CE2-CD1 4.03Å; F176-L238 HydrophobicContact CE2-CD2 3.57Å; F176-L238 HydrophobicContact CE2-CG 4.46Å; F176-L238 HydrophobicContact CZ-CD2 3.84Å; F176-I317 HydrophobicContact CB-CD1 4.36Å; F176-I317 HydrophobicContact CB-CG1 4.45Å; F176-I317 HydrophobicContact CB-CG2 4.31Å; F176-I317 HydrophobicContact CD2-CD1 3.93Å
177V96.9Very high94.9Very high56 Ų5655.5 Ų55.534%0.33927%0.267SS..Hα-helixtrans-62.8-37.6174.5173.30000111.6F169 L173 R174 I179 I180 L181F169-V177 HydrophobicContact CE1-CG1 4.3Å; L173-V177 WeakPolarHBondContact O-CG2 3.45Å; L173-V177 PolarHBondContact O-N 3.4Å; L173-V177 VanDerWaalsContact O-N 3.07Å; R174-V177 CarbonylContact O-C 3.55Å; R174-V177 PolarHBondContact O-N 3.32Å; R174-V177 VanDerWaalsContact O-N 3.12Å; V177-I179 PolarHBondContact O-N 2.79Å; V177-I180 WeakPolarHBondContact O-CB 3.19Å; V177-I180 PolarHBondContact O-N 2.92Å; V177-L181 HydrophobicContact CG1-CD1 3.83Å; V177-L181 HydrophobicContact CG1-CG 4.3Å; V177-L181 WeakPolarHBondContact O-CG 3.11Å; V177-L181 PolarHBondContact O-N 3.35Å
178W96.4Very high94.9Very high0 Ų051 Ų510%026%0.257CS..Hα-helixtrans-61.6-42.6177.8-175.979000111.8P161 E165 F169 R174 K175 F176 I180 L181 Q182 F185 I246 Y250 F316 P324P161-W178 HydrophobicContact CG-CZ2 4.06Å; E165-W178 PolarHBondContact OE2-NE1 3.48Å; F169-W178 HydrophobicContact CB-CB 3.82Å; F169-W178 HydrophobicContact CB-CG 4.02Å; F169-W178 HydrophobicContact CD1-CB 3.61Å; F169-W178 HydrophobicContact CD1-CG 4.3Å; F169-W178 HydrophobicContact CD2-CB 4.22Å; F169-W178 AromaticContact CD2-CD1 3.29Å; F169-W178 HydrophobicContact CD2-CG 4.03Å; F169-W178 HydrophobicContact CE1-CB 4.14Å; F169-W178 AromaticContact CE2-CD1 3.67Å; F169-W178 HydrophobicContact CG-CB 3.64Å; F169-W178 AromaticContact CG-CD1 3.62Å; F169-W178 AromaticContact CG-CG 3.89Å; F169-W178 HydrophobicContact CG-CG 3.89Å; R174-W178 WeakPolarHBondContact O-CB 3.47Å; R174-W178 PolarHBondContact O-N 3.33Å; K175-W178 WeakPolarHBondContact O-CB 3.24Å; K175-W178 PolarHBondContact O-N 3.39Å; F176-W178 VanDerWaalsContact C-N 3.3Å; F176-W178 PolarHBondContact O-N 2.93Å; W178-I180 VanDerWaalsContact C-N 3.34Å; W178-I180 PolarHBondContact O-N 3.11Å; W178-L181 CarbonylContact O-C 3.59Å; W178-L181 PolarHBondContact O-N 2.82Å; W178-Q182 PolarHBondContact O-N 3.35Å; W178-F185 AromaticContact CD1-CD2 3.57Å; W178-F185 AromaticContact CD1-CE2 3.19Å; W178-F185 HydrophobicContact CG-CD2 4.38Å; W178-F185 HydrophobicContact CG-CE2 4Å; W178-F185 AromaticContact NE1-CD2 3.44Å; W178-F185 AromaticContact NE1-CE2 3.59Å; W178-I246 HydrophobicContact CZ3-CD1 4.11Å; W178-I246 HydrophobicContact CZ3-CG1 4.13Å; W178-Y250 AromaticContact CH2-CZ 3.86Å; W178-Y250 WeakPolarHBondContact CH2-OH 3.3Å; W178-Y250 WeakPolarHBondContact CZ2-OH 3.24Å; W178-F316 AromaticContact CE3-CE1 3.74Å; W178-F316 HydrophobicContact CE3-CE1 3.74Å; W178-F316 HydrophobicContact CE3-CZ 4.11Å; W178-F316 AromaticContact CZ3-CE1 3.88Å; W178-F316 HydrophobicContact CZ3-CE1 3.88Å; W178-F316 AromaticContact CZ3-CZ 3.96Å; W178-F316 HydrophobicContact CZ3-CZ 3.96Å; W178-P324 HydrophobicContact CD2-CG 4.24Å; W178-P324 HydrophobicContact CG-CG 4.48Å
179I95.7Very high94.9Very high0 Ų047.9 Ų47.90%024%0.243CC..Hα-helixtrans-61.2-42174.2-73.3164.3000111.3K175 F176 V177 L181 Q182 G237 L238 I246 L313 F316 I317K175-I179 PolarHBondContact O-N 3.09Å; F176-I179 PolarHBondContact O-N 3.13Å; V177-I179 PolarHBondContact O-N 2.79Å; I179-L181 VanDerWaalsContact C-N 3.27Å; I179-L181 PolarHBondContact O-N 2.63Å; I179-Q182 VanDerWaalsContact O-CB 3.26Å; I179-Q182 WeakPolarHBondContact O-CB 3.24Å; I179-Q182 PolarHBondContact O-N 2.98Å; I179-G237 CarbonylContact O-C 3.41Å; I179-G237 VanDerWaalsContact O-CA 3.24Å; I179-G237 WeakPolarHBondContact O-CA 3.38Å; I179-L238 HydrophobicContact CG2-CB 4.34Å; I179-L238 HydrophobicContact CG2-CD1 3.94Å; I179-I246 HydrophobicContact CD1-CD1 3.96Å; I179-I246 HydrophobicContact CG1-CD1 3.88Å; I179-L313 HydrophobicContact CD1-CD2 4Å; I179-L313 HydrophobicContact CG1-CD2 4.45Å; I179-L313 HydrophobicContact CG2-CD2 4.24Å; I179-F316 HydrophobicContact CD1-CD1 3.96Å; I179-F316 HydrophobicContact CG1-CD1 4.46Å; I179-I317 HydrophobicContact CD1-CD1 3.69Å; I179-I317 HydrophobicContact CD1-CG1 3.58Å
180I94.9Very high94.9Very high70 Ų7048.1 Ų48.136%0.35925%0.246SC..Hα-helixtrans-61.4-40176.5-66.6167.8000110.9F176 V177 W178 Q182 P183 L238F176-I180 HydrophobicContact CD1-CD1 4.08Å; F176-I180 HydrophobicContact CE1-CD1 3.56Å; F176-I180 HydrophobicContact CE2-CD1 4.43Å; F176-I180 HydrophobicContact CZ-CD1 3.77Å; F176-I180 PolarHBondContact O-N 3.48Å; V177-I180 WeakPolarHBondContact O-CB 3.19Å; V177-I180 PolarHBondContact O-N 2.92Å; W178-I180 VanDerWaalsContact C-N 3.34Å; W178-I180 PolarHBondContact O-N 3.11Å; I180-Q182 VanDerWaalsContact C-N 3.35Å; I180-P183 WeakPolarHBondContact O-CD 3.35Å; I180-L238 HydrophobicContact CG1-CB 3.98Å; I180-L238 HydrophobicContact CG1-CD2 4.39Å
181L95.1Very high94.9Very high62 Ų6252.9 Ų52.933%0.32527%0.27SS..Hα-helixtrans-87.9-0.3-178.3-63.7178.8000113.8V177 W178 I179 P183 L184 F185V177-L181 HydrophobicContact CG1-CD1 3.83Å; V177-L181 HydrophobicContact CG1-CG 4.3Å; V177-L181 WeakPolarHBondContact O-CG 3.11Å; V177-L181 PolarHBondContact O-N 3.35Å; W178-L181 CarbonylContact O-C 3.59Å; W178-L181 PolarHBondContact O-N 2.82Å; I179-L181 VanDerWaalsContact C-N 3.27Å; I179-L181 PolarHBondContact O-N 2.63Å; L181-P183 VanDerWaalsContact C-N 3.33Å; L181-L184 WeakPolarHBondContact O-CA 3.2Å; L181-L184 VanDerWaalsContact O-CB 3.3Å; L181-L184 WeakPolarHBondContact O-CB 3.28Å; L181-L184 PolarHBondContact O-N 3.29Å; L181-F185 HydrophobicContact CB-CD2 4.19Å; L181-F185 HydrophobicContact CB-CE2 3.53Å; L181-F185 HydrophobicContact CB-CZ 3.94Å; L181-F185 HydrophobicContact CD1-CZ 4.27Å; L181-F185 WeakPolarHBondContact O-CD2 3.42Å; L181-F185 PolarHBondContact O-N 3.28Å; L181-F185 VanDerWaalsContact O-N 3.14Å
182Q92.9Very high95Very high0 Ų055.4 Ų55.40%029%0.288CS..Hα-helixtrans-50.2-44.1-178.7-176179.547.100113.9W178 I179 I180 L184 F185 Y186 M236 F245W178-Q182 PolarHBondContact O-N 3.35Å; I179-Q182 VanDerWaalsContact O-CB 3.26Å; I179-Q182 WeakPolarHBondContact O-CB 3.24Å; I179-Q182 PolarHBondContact O-N 2.98Å; I180-Q182 VanDerWaalsContact C-N 3.35Å; Q182-L184 PolarHBondContact O-N 3.41Å; Q182-F185 PolarHBondContact O-N 3.14Å; Q182-F185 VanDerWaalsContact O-N 3.11Å; Q182-Y186 HydrophobicContact CG-CD2 3.63Å; Q182-Y186 HydrophobicContact CG-CE2 3.66Å; Q182-Y186 WeakPolarHBondContact O-CD2 3.24Å; Q182-Y186 PolarHBondContact O-N 2.85Å; Q182-M236 PolarHBondContact OE1-O 3.06Å; Q182-F245 VanDerWaalsContact OE1-CD2 3.27Å
183P92.6Very high94.9Very high17 Ų1751.9 Ų51.911%0.1128%0.277CS..Hα-helixtrans-57.9-37.2177.5-1623.6000112.7I180 L181 A187 M233 M236I180-P183 WeakPolarHBondContact O-CD 3.35Å; L181-P183 VanDerWaalsContact C-N 3.33Å; P183-A187 PolarHBondContact O-N 2.98Å; P183-A187 VanDerWaalsContact O-N 3.13Å; P183-M233 WeakPolarHBondContact CG-O 3.47Å; P183-M236 HydrophobicContact CB-CB 4Å; P183-M236 HydrophobicContact CB-CE 4.28Å; P183-M236 HydrophobicContact CG-CB 3.75Å
184L92.9Very high94.9Very high93 Ų9346.9 Ų46.949%0.48725%0.251SS..Hα-helixtrans-68.5-42.9178.1-179.964.9000110.8L181 Q182 A187 V188L181-L184 WeakPolarHBondContact O-CA 3.2Å; L181-L184 VanDerWaalsContact O-CB 3.3Å; L181-L184 WeakPolarHBondContact O-CB 3.28Å; L181-L184 PolarHBondContact O-N 3.29Å; Q182-L184 PolarHBondContact O-N 3.41Å; L184-A187 PolarHBondContact O-N 3.16Å; L184-V188 HydrophobicContact CD1-CG2 3.94Å; L184-V188 HydrophobicContact CG-CG2 4.42Å; L184-V188 WeakPolarHBondContact O-CG2 3.32Å; L184-V188 PolarHBondContact O-N 3.28Å
185F94.6Very high94.8Very high32 Ų3246.1 Ų46.114%0.1426%0.259CS..Hα-helixtrans-63.3-43.9176.4-61.6-50.3000111.5E165 F169 W178 L181 Q182 A187 V188 R189E165-F185 HydrophobicContact CG-CD1 4.3Å; E165-F185 HydrophobicContact CG-CE1 4.39Å; E165-F185 WeakPolarHBondContact OE2-CG 3.2Å; F169-F185 HydrophobicContact CE2-CE1 4.32Å; F169-F185 HydrophobicContact CE2-CE2 4.06Å; F169-F185 AromaticContact CE2-CZ 3.54Å; F169-F185 HydrophobicContact CE2-CZ 3.54Å; F169-F185 HydrophobicContact CZ-CE2 4.13Å; F169-F185 AromaticContact CZ-CZ 3.58Å; F169-F185 HydrophobicContact CZ-CZ 3.58Å; W178-F185 AromaticContact CD1-CD2 3.57Å; W178-F185 AromaticContact CD1-CE2 3.19Å; W178-F185 HydrophobicContact CG-CD2 4.38Å; W178-F185 HydrophobicContact CG-CE2 4Å; W178-F185 AromaticContact NE1-CD2 3.44Å; W178-F185 AromaticContact NE1-CE2 3.59Å; L181-F185 HydrophobicContact CB-CD2 4.19Å; L181-F185 HydrophobicContact CB-CE2 3.53Å; L181-F185 HydrophobicContact CB-CZ 3.94Å; L181-F185 HydrophobicContact CD1-CZ 4.27Å; L181-F185 WeakPolarHBondContact O-CD2 3.42Å; L181-F185 PolarHBondContact O-N 3.28Å; L181-F185 VanDerWaalsContact O-N 3.14Å; Q182-F185 PolarHBondContact O-N 3.14Å; Q182-F185 VanDerWaalsContact O-N 3.11Å; F185-A187 PolarHBondContact O-N 3.09Å; F185-V188 PolarHBondContact O-N 2.96Å; F185-R189 WeakPolarHBondContact O-CA 3.5Å; F185-R189 WeakPolarHBondContact O-CB 3.49Å; F185-R189 PolarHBondContact O-N 3.14Å
186Y91.6Very high94.7Very high57 Ų5747.3 Ų47.322%0.22427%0.265CS..Hα-helixtrans-60.9-31.8175.7-90.9-95.4000113.2D159 Q182 P190 F245D159-Y186 WeakPolarHBondContact OD1-CE1 3.27Å; D159-Y186 VanDerWaalsContact OD1-CZ 3.23Å; D159-Y186 PolarHBondContact OD1-OH 2.85Å; Q182-Y186 HydrophobicContact CG-CD2 3.63Å; Q182-Y186 HydrophobicContact CG-CE2 3.66Å; Q182-Y186 WeakPolarHBondContact O-CD2 3.24Å; Q182-Y186 PolarHBondContact O-N 2.85Å; Y186-P190 VanDerWaalsContact O-CD 3.22Å; Y186-P190 WeakPolarHBondContact O-CD 3.3Å; Y186-P190 WeakPolarHBondContact O-CG 3.4Å; Y186-F245 HydrophobicContact CE1-CD1 4.17Å; Y186-F245 HydrophobicContact CE1-CE1 4.35Å; Y186-F245 HydrophobicContact CE2-CB 4.49Å; Y186-F245 HydrophobicContact CE2-CD1 4.15Å; Y186-F245 HydrophobicContact CE2-CG 4.4Å; Y186-F245 AromaticContact CZ-CD1 3.75Å
187A92.2Very high94.6Very high60 Ų6048.6 Ų48.650%0.49628%0.281SS..Hα-helixtrans-75.3-40.9176.200000113P183 L184 F185P183-A187 PolarHBondContact O-N 2.98Å; P183-A187 VanDerWaalsContact O-N 3.13Å; L184-A187 PolarHBondContact O-N 3.16Å; F185-A187 PolarHBondContact O-N 3.09Å
188V94Very high94.6Very high65 Ų6551 Ų5139%0.39430%0.295SS..Hα-helixtrans-91.7-39.6-171175.60000112.6L184 F185 P190 L191 C192L184-V188 HydrophobicContact CD1-CG2 3.94Å; L184-V188 HydrophobicContact CG-CG2 4.42Å; L184-V188 WeakPolarHBondContact O-CG2 3.32Å; L184-V188 PolarHBondContact O-N 3.28Å; F185-V188 PolarHBondContact O-N 2.96Å; V188-P190 VanDerWaalsContact C-CD 3.44Å; V188-L191 WeakPolarHBondContact O-CA 3.37Å; V188-L191 VanDerWaalsContact O-CB 3.27Å; V188-L191 WeakPolarHBondContact O-CB 3.2Å; V188-L191 PolarHBondContact O-N 2.82Å; V188-C192 PolarHBondContact O-N 3.07Å
189R95.9Very high94.5Very high5 Ų552.7 Ų52.72%0.01931%0.307CS..Hα-helixtrans-54.3-40.8-173.2-177.6-164.1-63.6150.22.8113.7V158 D159 I160 T162 E165 F185 L191 C192 I193V158-R189 WeakPolarHBondContact O-CD 3.16Å; D159-R189 PolarHBondContact O-NH1 3.36Å; I160-R189 WeakPolarHBondContact O-CD 3.31Å; T162-R189 HydrophobicContact CG2-CG 4.17Å; E165-R189 IonicContact OE1-CZ 3.96Å; E165-R189 IonicContact OE1-NE 3.4Å; E165-R189 PolarHBondContact OE1-NE 3.19Å; E165-R189 IonicContact OE1-NH2 3.8Å; E165-R189 IonicContact OE2-CZ 3.86Å; E165-R189 IonicContact OE2-NE 3.47Å; E165-R189 IonicContact OE2-NH2 2.75Å; E165-R189 PolarHBondContact OE2-NH2 2.83Å; F185-R189 WeakPolarHBondContact O-CA 3.5Å; F185-R189 WeakPolarHBondContact O-CB 3.49Å; F185-R189 PolarHBondContact O-N 3.14Å; R189-L191 PolarHBondContact O-N 3.18Å; R189-C192 PolarHBondContact O-N 2.84Å; R189-I193 HydrophobicContact CG-CD1 3.44Å; R189-I193 VanDerWaalsContact CG-CD1 3.44Å; R189-I193 HydrophobicContact CG-CG1 4Å; R189-I193 PolarHBondContact O-N 2.68Å
190P95.8Very high94.6Very high15 Ų1559.6 Ų59.610%0.09734%0.34CS..Hα-helixtrans-58.4-34.1175.8-24.935.4000113.4Y143 V158 Y186 V188 C192 N194Y143-P190 HydrophobicContact CD1-CB 4.18Å; Y143-P190 HydrophobicContact CD2-CB 4.02Å; Y143-P190 HydrophobicContact CE1-CB 3.89Å; Y143-P190 HydrophobicContact CE2-CB 3.73Å; Y143-P190 HydrophobicContact CG-CB 4.24Å; V158-P190 HydrophobicContact CB-CB 4.16Å; V158-P190 HydrophobicContact CB-CG 4.18Å; V158-P190 HydrophobicContact CG1-CB 4.25Å; V158-P190 HydrophobicContact CG2-CB 4.03Å; V158-P190 HydrophobicContact CG2-CG 3.86Å; Y186-P190 VanDerWaalsContact O-CD 3.22Å; Y186-P190 WeakPolarHBondContact O-CD 3.3Å; Y186-P190 WeakPolarHBondContact O-CG 3.4Å; V188-P190 VanDerWaalsContact C-CD 3.44Å; P190-C192 VanDerWaalsContact C-N 3.29Å; P190-C192 PolarHBondContact O-N 2.85Å; P190-N194 CarbonylContact O-C 3.48Å; P190-N194 PolarHBondContact O-N 3.48Å
191L94.3Very high94.7Very high116 Ų11658.4 Ų58.461%0.60733%0.333SS*.Hα-helixtrans-71.8-24.3178.2-51.1178000112.5V188 R189V188-L191 WeakPolarHBondContact O-CA 3.37Å; V188-L191 VanDerWaalsContact O-CB 3.27Å; V188-L191 WeakPolarHBondContact O-CB 3.2Å; V188-L191 PolarHBondContact O-N 2.82Å; R189-L191 PolarHBondContact O-N 3.18Å
192C95.6Very high94.9Very high88 Ų8856.2 Ų56.260%0.59532%0.322SS*.Hα-helixtrans-88.5-38.4178.2-59.80000112.6V188 R189 P190V188-C192 PolarHBondContact O-N 3.07Å; R189-C192 PolarHBondContact O-N 2.84Å; P190-C192 VanDerWaalsContact C-N 3.29Å; P190-C192 PolarHBondContact O-N 2.85Å
193I95.2Very high95.1Very high47 Ų4760.5 Ų60.524%0.24134%0.344CS..Hα-helixtrans-87.9-48.9-173.5-63.1-176.8000111.4V158 I160 T162 R189V158-I193 HydrophobicContact CG1-CB 4.17Å; V158-I193 HydrophobicContact CG1-CG2 4.17Å; I160-I193 WeakPolarHBondContact O-CD1 3.49Å; T162-I193 HydrophobicContact CG2-CD1 4.07Å; T162-I193 HydrophobicContact CG2-CG1 4.09Å; R189-I193 HydrophobicContact CG-CD1 3.44Å; R189-I193 VanDerWaalsContact CG-CD1 3.44Å; R189-I193 HydrophobicContact CG-CG1 4Å; R189-I193 PolarHBondContact O-N 2.68Å
194N96Very high95.4Very high22 Ų2262.2 Ų62.212%0.11835%0.354CS..  trans-14767.1-171.2-177.923.5000110.9Y143 G155 V158 P190 K196 Q338Y143-N194 VanDerWaalsContact CE1-O 3.27Å; Y143-N194 WeakPolarHBondContact CE1-O 3.44Å; Y143-N194 PolarHBondContact OH-O 2.84Å; G155-N194 WeakPolarHBondContact O-CB 3.28Å; V158-N194 HydrophobicContact CG1-CB 3.73Å; P190-N194 CarbonylContact O-C 3.48Å; P190-N194 PolarHBondContact O-N 3.48Å; N194-K196 PolarHBondContact O-N 3.07Å; N194-K196 VanDerWaalsContact O-N 3.07Å; N194-Q338 PolarHBondContact ND2-NE2 2.64Å
195P95.3Very high95.7Very high86 Ų8657.8 Ų57.856%0.55833%0.331SS*.  trans-63.2114.2-17725.5-33.6000110.9
196K94.4Very high95.9Very high25 Ų2559 Ų5911%0.10934%0.341CS..PPolyproline II helixtrans-85.7147.3175.6-68.8176.8-179.8-1020111.8R142 Y143 D146 N194 V198 E339R142-K196 HydrophobicContact CB-CD 4.06Å; Y143-K196 HydrophobicContact CD1-CD 4.1Å; Y143-K196 HydrophobicContact CE1-CD 3.59Å; Y143-K196 HydrophobicContact CE1-CG 3.79Å; Y143-K196 HydrophobicContact CE2-CD 4.34Å; Y143-K196 PolarHBondContact OH-N 3.09Å; Y143-K196 VanDerWaalsContact OH-N 3.17Å; D146-K196 IonicContact OD1-NZ 2.89Å; D146-K196 WeakPolarHBondContact OD2-CE 3.32Å; D146-K196 IonicContact OD2-NZ 3.71Å; D146-K196 PolarHBondContact OD2-NZ 2.76Å; N194-K196 PolarHBondContact O-N 3.07Å; N194-K196 VanDerWaalsContact O-N 3.07Å; K196-V198 PolarHBondContact O-N 2.69Å; K196-E339 PolarHBondContact NZ-O 2.62Å
197P95Very high96.2Very high105 Ų10558.9 Ų58.968%0.68235%0.351SS*.PPolyproline II helixtrans-58.3137.8170.3-2332.8000111.5R142 S199R142-P197 PolarHBondContact NH1-O 3.3Å; P197-S199 PolarHBondContact O-N 3.08Å
198V95.7Very high96.5Very high105 Ų10558.9 Ų58.964%0.63635%0.345SS*.PPolyproline II helixtrans-67.5123.9179.7-178.30000110K196 E202 L203K196-V198 PolarHBondContact O-N 2.69Å; V198-E202 HydrophobicContact CG1-CB 4.18Å; V198-L203 HydrophobicContact CG1-CD2 3.77Å; V198-L203 HydrophobicContact CG1-CG 3.89Å
199S95.9Very high96.7Very high36 Ų3655.8 Ų55.825%0.25233%0.327SS..PPolyproline II helixtrans-93.9165179690000112.6P197 L201 E202 L203P197-S199 PolarHBondContact O-N 3.08Å; S199-L201 PolarHBondContact O-N 3.13Å; S199-E202 VanDerWaalsContact CB-OE2 3.3Å; S199-E202 WeakPolarHBondContact CB-OE2 2.99Å; S199-E202 PolarHBondContact N-OE2 2.82Å; S199-E202 PolarHBondContact O-N 3.43Å; S199-E202 VanDerWaalsContact O-N 3.13Å; S199-E202 WeakPolarHBondContact OG-CG 3.35Å; S199-E202 PolarHBondContact OG-N 2.75Å; S199-E202 PolarHBondContact OG-OE2 3.29Å; S199-L203 PolarHBondContact O-N 2.91Å; S199-L203 VanDerWaalsContact O-N 3.08Å
200Q97.1Very high96.8Very high146 Ų14660 Ų6068%0.68235%0.349SS*.Hα-helixtrans-60.6-32.1173.5-65.4-60.8-2300112.9T204Q200-T204 WeakPolarHBondContact O-CB 3.28Å; Q200-T204 PolarHBondContact O-N 2.92Å; Q200-T204 PolarHBondContact O-OG1 3.3Å
201L97.6Very high97Very high44 Ų4463 Ų6323%0.2337%0.37CS..Hα-helixtrans-68.9-36.4175.9-74.2175000111.9M119 R122 M126 A138 S199 T204 N205M119-L201 HydrophobicContact CE-CD2 3.91Å; R122-L201 HydrophobicContact CB-CD1 4.38Å; R122-L201 HydrophobicContact CB-CD2 4.2Å; R122-L201 HydrophobicContact CG-CD1 3.97Å; M126-L201 HydrophobicContact CE-CB 4.15Å; M126-L201 HydrophobicContact CE-CD2 3.76Å; M126-L201 WeakPolarHBondContact CE-O 3.26Å; A138-L201 HydrophobicContact CB-CB 4.26Å; S199-L201 PolarHBondContact O-N 3.13Å; L201-T204 PolarHBondContact O-N 3.35Å; L201-N205 WeakPolarHBondContact O-CB 3.36Å; L201-N205 PolarHBondContact O-N 2.89Å
202E97.4Very high97.2Very high16 Ų1658.7 Ų58.78%0.07535%0.346CS..Hα-helixtrans-69.1-43.3176-71.8160.5132.100110.7A138 S139 R142 V198 S199 T204 N205 V206A138-E202 HydrophobicContact CB-CG 3.79Å; S139-E202 WeakPolarHBondContact CB-OE1 3.39Å; S139-E202 WeakPolarHBondContact OG-CG 3.04Å; S139-E202 PolarHBondContact OG-OE1 2.97Å; R142-E202 IonicContact NH1-OE1 3.84Å; R142-E202 IonicContact NH1-OE2 3.67Å; R142-E202 PolarHBondContact NH1-OE2 3.26Å; R142-E202 VanDerWaalsContact NH1-OE2 3.07Å; V198-E202 HydrophobicContact CG1-CB 4.18Å; S199-E202 VanDerWaalsContact CB-OE2 3.3Å; S199-E202 WeakPolarHBondContact CB-OE2 2.99Å; S199-E202 PolarHBondContact N-OE2 2.82Å; S199-E202 PolarHBondContact O-N 3.43Å; S199-E202 VanDerWaalsContact O-N 3.13Å; S199-E202 WeakPolarHBondContact OG-CG 3.35Å; S199-E202 PolarHBondContact OG-N 2.75Å; S199-E202 PolarHBondContact OG-OE2 3.29Å; E202-T204 VanDerWaalsContact C-N 3.31Å; E202-T204 PolarHBondContact O-N 3.27Å; E202-N205 PolarHBondContact O-N 3.4Å; E202-V206 VanDerWaalsContact O-CG2 3.3Å; E202-V206 WeakPolarHBondContact O-CG2 3.46Å; E202-V206 PolarHBondContact O-N 3.35Å
203L98.4Very high97.3Very high91 Ų9155.6 Ų55.648%0.47632%0.324SS..Hα-helixtrans-59.5-42.2172.8-64.7176.9000112V198 S199 V206 A207V198-L203 HydrophobicContact CG1-CD2 3.77Å; V198-L203 HydrophobicContact CG1-CG 3.89Å; S199-L203 PolarHBondContact O-N 2.91Å; S199-L203 VanDerWaalsContact O-N 3.08Å; L203-V206 PolarHBondContact O-N 2.8Å; L203-A207 WeakPolarHBondContact O-CB 3.41Å; L203-A207 PolarHBondContact O-N 3.01Å
204T98.5Very high97.5Very high52 Ų5258 Ų5832%0.31934%0.34SS..Hα-helixtrans-65.2-43.1177.1-56.80000111.2M126 Q200 L201 E202 V206 A207 V208M126-T204 HydrophobicContact CE-CG2 4.33Å; M126-T204 HydrophobicContact SD-CG2 3.94Å; Q200-T204 WeakPolarHBondContact O-CB 3.28Å; Q200-T204 PolarHBondContact O-N 2.92Å; Q200-T204 PolarHBondContact O-OG1 3.3Å; L201-T204 PolarHBondContact O-N 3.35Å; E202-T204 VanDerWaalsContact C-N 3.31Å; E202-T204 PolarHBondContact O-N 3.27Å; T204-V206 VanDerWaalsContact C-N 3.33Å; T204-V206 PolarHBondContact O-N 2.98Å; T204-A207 PolarHBondContact O-N 3.25Å; T204-V208 HydrophobicContact CG2-CG2 4.32Å; T204-V208 WeakPolarHBondContact O-CB 3.33Å; T204-V208 VanDerWaalsContact O-CG2 3.3Å; T204-V208 WeakPolarHBondContact O-CG2 3.43Å; T204-V208 PolarHBondContact O-N 2.88Å
205N98.5Very high97.6Very high1 Ų161.7 Ų61.71%0.00536%0.359CS..Hα-helixtrans-61.4-43.7177.3-164.5165.5000111M126 P135 S137 A138 L201 E202 V208 Q209M126-N205 HydrophobicContact CE-CB 4.09Å; M126-N205 HydrophobicContact CG-CB 4.1Å; M126-N205 HydrophobicContact SD-CB 4.28Å; P135-N205 HydrophobicContact CB-CB 4.41Å; S137-N205 PolarHBondContact N-OD1 2.82Å; S137-N205 PolarHBondContact OG-OD1 3.2Å; A138-N205 HydrophobicContact CB-CB 4.03Å; A138-N205 PolarHBondContact N-OD1 3.09Å; A138-N205 VanDerWaalsContact N-OD1 3.13Å; L201-N205 WeakPolarHBondContact O-CB 3.36Å; L201-N205 PolarHBondContact O-N 2.89Å; E202-N205 PolarHBondContact O-N 3.4Å; N205-V208 PolarHBondContact O-N 2.68Å; N205-Q209 WeakPolarHBondContact O-CB 3.15Å; N205-Q209 PolarHBondContact O-N 3.3Å
206V98.6Very high97.8Very high58 Ų5857.8 Ų57.835%0.35233%0.334SS..Hα-helixtrans-60.2-50.4176.3170.40000110.4P135 E202 L203 T204 V208 Q209 L210P135-V206 HydrophobicContact CB-CB 4.38Å; P135-V206 HydrophobicContact CB-CG2 3.96Å; P135-V206 HydrophobicContact CG-CB 4.32Å; P135-V206 HydrophobicContact CG-CG2 3.71Å; E202-V206 VanDerWaalsContact O-CG2 3.3Å; E202-V206 WeakPolarHBondContact O-CG2 3.46Å; E202-V206 PolarHBondContact O-N 3.35Å; L203-V206 PolarHBondContact O-N 2.8Å; T204-V206 VanDerWaalsContact C-N 3.33Å; T204-V206 PolarHBondContact O-N 2.98Å; V206-V208 PolarHBondContact O-N 2.78Å; V206-Q209 PolarHBondContact O-N 3.28Å; V206-L210 HydrophobicContact CG1-CD1 3.65Å; V206-L210 HydrophobicContact CG1-CG 4.19Å; V206-L210 WeakPolarHBondContact O-CB 3.16Å; V206-L210 VanDerWaalsContact O-CG 3.3Å; V206-L210 WeakPolarHBondContact O-CG 3.44Å; V206-L210 PolarHBondContact O-N 3.4Å
207A98.7Very high98Very high53 Ų5363.3 Ų63.344%0.43836%0.355SS..Hα-helixtrans-59.2-47.5179.500000111.9L203 T204 C211L203-A207 WeakPolarHBondContact O-CB 3.41Å; L203-A207 PolarHBondContact O-N 3.01Å; T204-A207 PolarHBondContact O-N 3.25Å; A207-C211 VanDerWaalsContact O-CB 3.24Å; A207-C211 WeakPolarHBondContact O-CB 3.32Å; A207-C211 PolarHBondContact O-N 3.37Å; A207-C211 PolarHBondContact O-SG 3.18Å
208V98.6Very high98.1Very high61 Ų6168.1 Ų68.137%0.3736%0.359SS..Hα-helixtrans-62.2-45.9179.3169.70000111.6L130 T204 N205 V206 F212L130-V208 HydrophobicContact CD2-CG1 3.81Å; T204-V208 HydrophobicContact CG2-CG2 4.32Å; T204-V208 WeakPolarHBondContact O-CB 3.33Å; T204-V208 VanDerWaalsContact O-CG2 3.3Å; T204-V208 WeakPolarHBondContact O-CG2 3.43Å; T204-V208 PolarHBondContact O-N 2.88Å; N205-V208 PolarHBondContact O-N 2.68Å; V206-V208 PolarHBondContact O-N 2.78Å; V208-F212 WeakPolarHBondContact O-CB 3.43Å; V208-F212 PolarHBondContact O-N 2.75Å
209Q98.8Very high98.2Very high0 Ų066.7 Ų66.70%035%0.351CS..Hα-helixtrans-67.4-47.4-179.1-170.766.154.200111.6N129 L130 G133 P135 N205 V206 C211 F212 D213N129-Q209 PolarHBondContact ND2-OE1 3.36Å; N129-Q209 PolarHBondContact O-OE1 2.84Å; N129-Q209 VanDerWaalsContact O-OE1 3.11Å; L130-Q209 PolarHBondContact O-NE2 3.09Å; G133-Q209 VanDerWaalsContact CA-NE2 3.31Å; P135-Q209 HydrophobicContact CB-CB 3.74Å; P135-Q209 HydrophobicContact CB-CG 4.23Å; P135-Q209 HydrophobicContact CG-CB 4.43Å; N205-Q209 WeakPolarHBondContact O-CB 3.15Å; N205-Q209 PolarHBondContact O-N 3.3Å; V206-Q209 PolarHBondContact O-N 3.28Å; Q209-C211 VanDerWaalsContact C-N 3.34Å; Q209-C211 PolarHBondContact O-N 2.79Å; Q209-F212 WeakPolarHBondContact O-CB 3.34Å; Q209-F212 PolarHBondContact O-N 2.64Å; Q209-F212 VanDerWaalsContact O-N 3.1Å; Q209-D213 PolarHBondContact NE2-OD1 3.27Å; Q209-D213 PolarHBondContact O-N 2.81Å
210L98.5Very high98.3Very high94 Ų9468.7 Ų68.749%0.49235%0.353SS..Hα-helixtrans-63.3-41179.9-69.2-179.9000111.7V206 F212 D213 V214V206-L210 HydrophobicContact CG1-CD1 3.65Å; V206-L210 HydrophobicContact CG1-CG 4.19Å; V206-L210 WeakPolarHBondContact O-CB 3.16Å; V206-L210 VanDerWaalsContact O-CG 3.3Å; V206-L210 WeakPolarHBondContact O-CG 3.44Å; V206-L210 PolarHBondContact O-N 3.4Å; L210-F212 VanDerWaalsContact C-N 3.31Å; L210-F212 PolarHBondContact O-N 3.33Å; L210-D213 PolarHBondContact O-N 3.13Å; L210-V214 WeakPolarHBondContact O-CB 3.5Å; L210-V214 VanDerWaalsContact O-CG2 3.26Å; L210-V214 WeakPolarHBondContact O-CG2 3.25Å; L210-V214 PolarHBondContact O-N 3.49Å
211C98.7Very high98.4Very high78 Ų7863 Ų6353%0.52733%0.334SS..Hα-helixtrans-59.1-44.4172.7-75.20000111.3A207 Q209 L215A207-C211 VanDerWaalsContact O-CB 3.24Å; A207-C211 WeakPolarHBondContact O-CB 3.32Å; A207-C211 PolarHBondContact O-N 3.37Å; A207-C211 PolarHBondContact O-SG 3.18Å; Q209-C211 VanDerWaalsContact C-N 3.34Å; Q209-C211 PolarHBondContact O-N 2.79Å; C211-L215 WeakPolarHBondContact O-CB 3.31Å; C211-L215 WeakPolarHBondContact O-CG 3.27Å; C211-L215 PolarHBondContact O-N 3.16Å
212F98.6Very high98.4Very high24 Ų2463.1 Ų63.111%0.10534%0.341CS..Hα-helixtrans-63.1-47.6177.3178.3-106.3000112.5F71 F74 L130 V208 Q209 L210 V214 L215 L216 M228F71-F212 AromaticContact CE1-CE2 3.55Å; F71-F212 HydrophobicContact CE1-CE2 3.55Å; F71-F212 HydrophobicContact CE1-CZ 4.05Å; F71-F212 AromaticContact CE2-CE2 3.88Å; F71-F212 HydrophobicContact CE2-CE2 3.88Å; F71-F212 AromaticContact CE2-CZ 3.77Å; F71-F212 HydrophobicContact CE2-CZ 3.77Å; F71-F212 HydrophobicContact CZ-CD2 4.1Å; F71-F212 AromaticContact CZ-CE2 3.12Å; F71-F212 HydrophobicContact CZ-CE2 3.12Å; F71-F212 AromaticContact CZ-CZ 3.51Å; F71-F212 HydrophobicContact CZ-CZ 3.51Å; F74-F212 HydrophobicContact CD2-CZ 4.31Å; F74-F212 HydrophobicContact CE2-CE1 4.17Å; F74-F212 AromaticContact CE2-CZ 3.97Å; F74-F212 HydrophobicContact CE2-CZ 3.97Å; L130-F212 HydrophobicContact CB-CD1 4.01Å; L130-F212 HydrophobicContact CB-CE1 4.06Å; L130-F212 HydrophobicContact CB-CG 4.29Å; L130-F212 HydrophobicContact CB-CZ 4.42Å; L130-F212 HydrophobicContact CD1-CD2 4.45Å; L130-F212 HydrophobicContact CD2-CB 3.77Å; L130-F212 HydrophobicContact CD2-CD1 4.19Å; L130-F212 HydrophobicContact CD2-CD2 4.4Å; L130-F212 HydrophobicContact CD2-CG 3.84Å; L130-F212 HydrophobicContact CG-CG 4.48Å; L130-F212 WeakPolarHBondContact O-CE1 3.18Å; V208-F212 WeakPolarHBondContact O-CB 3.43Å; V208-F212 PolarHBondContact O-N 2.75Å; Q209-F212 WeakPolarHBondContact O-CB 3.34Å; Q209-F212 PolarHBondContact O-N 2.64Å; Q209-F212 VanDerWaalsContact O-N 3.1Å; L210-F212 VanDerWaalsContact C-N 3.31Å; L210-F212 PolarHBondContact O-N 3.33Å; F212-V214 VanDerWaalsContact C-N 3.34Å; F212-V214 PolarHBondContact O-N 2.83Å; F212-L215 PolarHBondContact O-N 3.47Å; F212-L216 HydrophobicContact CE1-CD2 4.33Å; F212-L216 HydrophobicContact CZ-CD1 4.45Å; F212-L216 WeakPolarHBondContact O-CB 3.43Å; F212-L216 PolarHBondContact O-N 3.39Å; F212-M228 HydrophobicContact CD1-SD 4.45Å; F212-M228 HydrophobicContact CE1-SD 3.9Å
213D98.6Very high98.5Very high24 Ų2464.7 Ų64.713%0.12835%0.348CS..Hα-helixtrans-61.9-42.5-179.1-62.4-11.5000111.4Q209 L210 L216 Y217 M228Q209-D213 PolarHBondContact NE2-OD1 3.27Å; Q209-D213 PolarHBondContact O-N 2.81Å; L210-D213 PolarHBondContact O-N 3.13Å; D213-L216 PolarHBondContact O-N 2.7Å; D213-Y217 WeakPolarHBondContact O-CB 3.49Å; D213-Y217 PolarHBondContact O-N 3.1Å; D213-M228 HydrophobicContact CB-CE 4.47Å; D213-M228 WeakPolarHBondContact OD1-CE 3.16Å
214V98.6Very high98.5Very high97 Ų9760.4 Ų60.459%0.58833%0.325SS*.Hα-helixtrans-65.1-44.4176.1169.80000111.1L210 F212 L216 Y217 W218L210-V214 WeakPolarHBondContact O-CB 3.5Å; L210-V214 VanDerWaalsContact O-CG2 3.26Å; L210-V214 WeakPolarHBondContact O-CG2 3.25Å; L210-V214 PolarHBondContact O-N 3.49Å; F212-V214 VanDerWaalsContact C-N 3.34Å; F212-V214 PolarHBondContact O-N 2.83Å; V214-L216 VanDerWaalsContact C-N 3.32Å; V214-L216 PolarHBondContact O-N 3.49Å; V214-Y217 PolarHBondContact O-N 3.5Å; V214-W218 VanDerWaalsContact O-CB 3.27Å; V214-W218 WeakPolarHBondContact O-CB 3.32Å; V214-W218 PolarHBondContact O-N 2.97Å
215L98.5Very high98.5Very high99 Ų9959.1 Ų59.152%0.51832%0.318SS..Hα-helixtrans-63.6-40.1176.6-74171.8000111.4C211 F212 W218 T219C211-L215 WeakPolarHBondContact O-CB 3.31Å; C211-L215 WeakPolarHBondContact O-CG 3.27Å; C211-L215 PolarHBondContact O-N 3.16Å; F212-L215 PolarHBondContact O-N 3.47Å; L215-W218 PolarHBondContact O-N 3.29Å; L215-T219 WeakPolarHBondContact O-CB 3.46Å; L215-T219 VanDerWaalsContact O-CG2 3.27Å; L215-T219 WeakPolarHBondContact O-CG2 3.37Å; L215-T219 PolarHBondContact O-N 3.39Å; L215-T219 PolarHBondContact O-OG1 3.31Å
216L98.4Very high98.5Very high4 Ų461.6 Ų61.62%0.02133%0.333CS..Hα-helixtrans-62.1-46.9176.7-171.268.8000111.1F74 F212 D213 V214 T219 W220 P224 V225 M228F74-L216 HydrophobicContact CB-CD1 4.06Å; F74-L216 HydrophobicContact CD2-CD1 3.97Å; F74-L216 HydrophobicContact CD2-CD2 4.24Å; F74-L216 HydrophobicContact CE2-CD2 4.44Å; F74-L216 HydrophobicContact CG-CD1 4.2Å; F74-L216 HydrophobicContact CG-CD2 4.42Å; F212-L216 HydrophobicContact CE1-CD2 4.33Å; F212-L216 HydrophobicContact CZ-CD1 4.45Å; F212-L216 WeakPolarHBondContact O-CB 3.43Å; F212-L216 PolarHBondContact O-N 3.39Å; D213-L216 PolarHBondContact O-N 2.7Å; V214-L216 VanDerWaalsContact C-N 3.32Å; V214-L216 PolarHBondContact O-N 3.49Å; L216-T219 PolarHBondContact O-OG1 2.99Å; L216-W220 HydrophobicContact CD1-CD2 4.44Å; L216-W220 HydrophobicContact CD1-CE3 3.36Å; L216-W220 HydrophobicContact CD1-CZ3 3.57Å; L216-W220 PolarHBondContact O-N 3.13Å; L216-P224 HydrophobicContact CD1-CB 4.28Å; L216-P224 HydrophobicContact CD2-CB 4.22Å; L216-P224 HydrophobicContact CG-CB 4.17Å; L216-V225 HydrophobicContact CB-CG2 4.5Å; L216-V225 HydrophobicContact CD2-CG2 4.21Å; L216-V225 HydrophobicContact CG-CG2 4.32Å; L216-M228 HydrophobicContact CD2-CE 3.84Å; L216-M228 HydrophobicContact CD2-SD 4.1Å
217Y98.6Very high98.5Very high142 Ų14258.9 Ų58.956%0.55732%0.316SS*.Hα-helixtrans-61.6-47.6175.5179.8-100000112.1D213 V214 T219 G221 A222 V225D213-Y217 WeakPolarHBondContact O-CB 3.49Å; D213-Y217 PolarHBondContact O-N 3.1Å; V214-Y217 PolarHBondContact O-N 3.5Å; Y217-T219 VanDerWaalsContact C-N 3.31Å; Y217-T219 PolarHBondContact O-N 3.47Å; Y217-G221 WeakPolarHBondContact O-CA 3.38Å; Y217-G221 PolarHBondContact O-N 3.34Å; Y217-A222 HydrophobicContact CD2-CB 4.49Å; Y217-A222 HydrophobicContact CE2-CB 4.06Å; Y217-V225 HydrophobicContact CD2-CG2 4.33Å
218W98.4Very high98.4Very high205 Ų20556.4 Ų56.478%0.77730%0.295SS*.Hα-helixtrans-67.8-32.6-175.3-173.767.1000112.5V214 L215V214-W218 VanDerWaalsContact O-CB 3.27Å; V214-W218 WeakPolarHBondContact O-CB 3.32Å; V214-W218 PolarHBondContact O-N 2.97Å; L215-W218 PolarHBondContact O-N 3.29Å
219T97.9Very high98.3Very high76 Ų7656.5 Ų56.547%0.46629%0.293SS..Hα-helixtrans-86.9-40.8-178.754.30000113.5L215 L216 Y217L215-T219 WeakPolarHBondContact O-CB 3.46Å; L215-T219 VanDerWaalsContact O-CG2 3.27Å; L215-T219 WeakPolarHBondContact O-CG2 3.37Å; L215-T219 PolarHBondContact O-N 3.39Å; L215-T219 PolarHBondContact O-OG1 3.31Å; L216-T219 PolarHBondContact O-OG1 2.99Å; Y217-T219 VanDerWaalsContact C-N 3.31Å; Y217-T219 PolarHBondContact O-N 3.47Å
220W98.3Very high98.2Very high78 Ų7857.7 Ų57.730%0.29530%0.303SS..Hα-helixtrans-125.65.3-171.8-60-28.9000114.6F74 Y75 K78 L216 P224F74-W220 HydrophobicContact CB-CE3 3.89Å; F74-W220 HydrophobicContact CB-CZ3 3.66Å; Y75-W220 AromaticContact CD2-CE2 3.87Å; Y75-W220 AromaticContact CD2-CZ2 3.99Å; Y75-W220 HydrophobicContact CD2-CZ2 3.99Å; Y75-W220 AromaticContact CD2-NE1 3.85Å; K78-W220 HydrophobicContact CB-CB 4.16Å; K78-W220 HydrophobicContact CD-CB 4.06Å; K78-W220 HydrophobicContact CD-CG 3.93Å; L216-W220 HydrophobicContact CD1-CD2 4.44Å; L216-W220 HydrophobicContact CD1-CE3 3.36Å; L216-W220 HydrophobicContact CD1-CZ3 3.57Å; L216-W220 PolarHBondContact O-N 3.13Å; W220-P224 HydrophobicContact CB-CG 3.79Å
221G98Very high98.1Very high27 Ų2753.2 Ų53.228%0.27828%0.28SS..  trans79.5-163.7174.100000114.4Y217 P224Y217-G221 WeakPolarHBondContact O-CA 3.38Å; Y217-G221 PolarHBondContact O-N 3.34Å; G221-P224 WeakPolarHBondContact O-CD 3.45Å
222A98.3Very high97.8Very high46 Ų4649.6 Ų49.638%0.3826%0.255SS..Hα-helixtrans-74.3-31.7-17100000114.5Y217 V225 V226Y217-A222 HydrophobicContact CD2-CB 4.49Å; Y217-A222 HydrophobicContact CE2-CB 4.06Å; A222-V225 PolarHBondContact O-N 3.5Å; A222-V226 WeakPolarHBondContact O-CG2 3.38Å; A222-V226 PolarHBondContact O-N 3.04Å
223K98.6Very high97.6Very high49 Ų4953.9 Ų53.921%0.21328%0.277CS..Hα-helixtrans-61-45.2-171.7-66.3172.9-171.61690113.3K78 L80 W82 V85 V225 V226 Y227K78-K223 VanDerWaalsContact O-CD 3.31Å; K78-K223 WeakPolarHBondContact O-CD 3.3Å; K78-K223 PolarHBondContact O-NZ 2.85Å; L80-K223 WeakPolarHBondContact O-CD 3.42Å; L80-K223 VanDerWaalsContact O-CE 3.23Å; L80-K223 WeakPolarHBondContact O-CE 3.46Å; L80-K223 PolarHBondContact O-NZ 3.39Å; W82-K223 HydrophobicContact CD2-CG 4.4Å; W82-K223 HydrophobicContact CE3-CG 4.37Å; W82-K223 HydrophobicContact CH2-CB 4.41Å; W82-K223 HydrophobicContact CH2-CG 3.76Å; W82-K223 HydrophobicContact CZ2-CG 3.77Å; W82-K223 HydrophobicContact CZ3-CG 4.05Å; V85-K223 HydrophobicContact CG2-CB 4.22Å; V85-K223 HydrophobicContact CG2-CD 4.04Å; V85-K223 HydrophobicContact CG2-CG 4.25Å; K223-V225 VanDerWaalsContact C-N 3.33Å; K223-V225 PolarHBondContact O-N 3.44Å; K223-V226 PolarHBondContact O-N 2.98Å; K223-Y227 WeakPolarHBondContact O-CB 3.18Å; K223-Y227 PolarHBondContact O-N 3Å
224P98.4Very high97.3Very high0 Ų055.9 Ų55.90%029%0.288CS..Hα-helixtrans-66-34.9177.3-2236.2000113.1F74 V77 K78 L216 W220 G221 Y227 M228F74-P224 HydrophobicContact CB-CB 3.97Å; F74-P224 HydrophobicContact CD1-CB 4.47Å; F74-P224 HydrophobicContact CG-CB 4.45Å; F74-P224 VanDerWaalsContact O-CG 3.22Å; F74-P224 WeakPolarHBondContact O-CG 3.37Å; V77-P224 HydrophobicContact CG2-CB 4.11Å; V77-P224 HydrophobicContact CG2-CG 4.07Å; K78-P224 HydrophobicContact CB-CG 3.92Å; L216-P224 HydrophobicContact CD1-CB 4.28Å; L216-P224 HydrophobicContact CD2-CB 4.22Å; L216-P224 HydrophobicContact CG-CB 4.17Å; W220-P224 HydrophobicContact CB-CG 3.79Å; G221-P224 WeakPolarHBondContact O-CD 3.45Å; P224-Y227 PolarHBondContact O-N 2.9Å; P224-M228 WeakPolarHBondContact O-CB 3.32Å; P224-M228 PolarHBondContact O-N 3.3Å
225V98.4Very high97Very high26 Ų2651.3 Ų51.316%0.15826%0.26CS..Hα-helixtrans-64.7-45175.1-179.60000110.8L216 Y217 A222 K223 M228 L229L216-V225 HydrophobicContact CB-CG2 4.5Å; L216-V225 HydrophobicContact CD2-CG2 4.21Å; L216-V225 HydrophobicContact CG-CG2 4.32Å; Y217-V225 HydrophobicContact CD2-CG2 4.33Å; A222-V225 PolarHBondContact O-N 3.5Å; K223-V225 VanDerWaalsContact C-N 3.33Å; K223-V225 PolarHBondContact O-N 3.44Å; V225-M228 PolarHBondContact O-N 3.05Å; V225-L229 HydrophobicContact CG1-CD1 3.96Å; V225-L229 PolarHBondContact O-N 2.89Å
226V98.3Very high96.7Very high53 Ų5347.9 Ų47.932%0.32124%0.241SC..Hα-helixtrans-62.3-46.6174.7172.70000110.7W82 A222 K223 M228 L229 A230W82-V226 HydrophobicContact CH2-CB 4.31Å; W82-V226 HydrophobicContact CH2-CG2 3.96Å; W82-V226 HydrophobicContact CZ3-CB 3.98Å; W82-V226 HydrophobicContact CZ3-CG1 3.93Å; W82-V226 HydrophobicContact CZ3-CG2 4.07Å; A222-V226 WeakPolarHBondContact O-CG2 3.38Å; A222-V226 PolarHBondContact O-N 3.04Å; K223-V226 PolarHBondContact O-N 2.98Å; V226-M228 VanDerWaalsContact C-N 3.28Å; V226-M228 PolarHBondContact O-N 3.3Å; V226-L229 PolarHBondContact O-N 3.41Å; V226-A230 HydrophobicContact CG1-CB 4.49Å; V226-A230 WeakPolarHBondContact O-CB 3.42Å; V226-A230 PolarHBondContact O-N 2.86Å
227Y98.5Very high96.4Very high1 Ų147.7 Ų47.70%0.00424%0.24CC..Hα-helixtrans-56.2-43.1176.2167.6-85.3000111.9Q70 A73 F74 V77 W88 T89 F92 G93 K223 P224 G231Q70-Y227 PolarHBondContact OE1-OH 3.47Å; A73-Y227 HydrophobicContact CB-CE1 4.18Å; F74-Y227 AromaticContact CD1-CD1 3.55Å; F74-Y227 HydrophobicContact CD1-CD1 3.55Å; F74-Y227 AromaticContact CD1-CE1 3.74Å; F74-Y227 HydrophobicContact CD1-CE1 3.74Å; F74-Y227 AromaticContact CE1-CD1 3.54Å; F74-Y227 HydrophobicContact CE1-CD1 3.54Å; F74-Y227 AromaticContact CE1-CE1 3.61Å; F74-Y227 HydrophobicContact CE1-CE1 3.61Å; V77-Y227 HydrophobicContact CG1-CD2 3.83Å; V77-Y227 HydrophobicContact CG1-CE2 4.13Å; V77-Y227 HydrophobicContact CG1-CG 4.26Å; V77-Y227 HydrophobicContact CG2-CG 4.16Å; W88-Y227 HydrophobicContact CB-CE2 4.43Å; T89-Y227 VanDerWaalsContact OG1-CD2 3.27Å; T89-Y227 WeakPolarHBondContact OG1-CD2 3.46Å; F92-Y227 WeakPolarHBondContact CD1-OH 3.3Å; G93-Y227 WeakPolarHBondContact CA-OH 3.4Å; G93-Y227 PolarHBondContact N-OH 2.98Å; K223-Y227 WeakPolarHBondContact O-CB 3.18Å; K223-Y227 PolarHBondContact O-N 3Å; P224-Y227 PolarHBondContact O-N 2.9Å; Y227-G231 WeakPolarHBondContact O-CA 3.17Å; Y227-G231 PolarHBondContact O-N 3.27Å
228M97.8Very high96Very high0 Ų044 Ų440%023%0.23CC..Hα-helixtrans-64.4-55.7178.8-178170.964.300112.2F74 N97 L130 P131 F212 D213 L216 P224 V225 V226 G231 S232F74-M228 HydrophobicContact CE1-CB 3.78Å; F74-M228 HydrophobicContact CE1-CG 4.18Å; F74-M228 HydrophobicContact CE1-SD 4.5Å; F74-M228 HydrophobicContact CE2-SD 4.31Å; F74-M228 HydrophobicContact CZ-CB 4.03Å; F74-M228 HydrophobicContact CZ-CG 3.93Å; F74-M228 HydrophobicContact CZ-SD 3.84Å; N97-M228 PolarHBondContact ND2-O 3.24Å; N97-M228 VanDerWaalsContact ND2-O 3.16Å; L130-M228 VanDerWaalsContact O-SD 3.36Å; P131-M228 VanDerWaalsContact O-CG 3.28Å; P131-M228 WeakPolarHBondContact O-CG 3.46Å; F212-M228 HydrophobicContact CD1-SD 4.45Å; F212-M228 HydrophobicContact CE1-SD 3.9Å; D213-M228 HydrophobicContact CB-CE 4.47Å; D213-M228 WeakPolarHBondContact OD1-CE 3.16Å; L216-M228 HydrophobicContact CD2-CE 3.84Å; L216-M228 HydrophobicContact CD2-SD 4.1Å; P224-M228 WeakPolarHBondContact O-CB 3.32Å; P224-M228 PolarHBondContact O-N 3.3Å; V225-M228 PolarHBondContact O-N 3.05Å; V226-M228 VanDerWaalsContact C-N 3.28Å; V226-M228 PolarHBondContact O-N 3.3Å; M228-G231 PolarHBondContact O-N 3.09Å; M228-S232 PolarHBondContact O-N 3.47Å; M228-S232 VanDerWaalsContact O-N 3.11Å; M228-S232 PolarHBondContact O-OG 3.04Å
229L96.7Very high95.8Very high63 Ų6334.7 Ų34.733%0.3320%0.195SC..Hα-helixtrans-69.1-44.9-175.9-68.1173.4000112.1G133 L134 V225 V226 G231 S232 M233G133-L229 WeakPolarHBondContact O-CD2 3.33Å; L134-L229 HydrophobicContact CD2-CD2 4.38Å; L134-L229 HydrophobicContact CG-CD2 4.31Å; V225-L229 HydrophobicContact CG1-CD1 3.96Å; V225-L229 PolarHBondContact O-N 2.89Å; V226-L229 PolarHBondContact O-N 3.41Å; L229-G231 VanDerWaalsContact C-N 3.32Å; L229-G231 PolarHBondContact O-N 3.49Å; L229-S232 WeakPolarHBondContact O-CB 3.48Å; L229-S232 PolarHBondContact O-N 3.23Å; L229-M233 WeakPolarHBondContact O-CG 3.42Å; L229-M233 PolarHBondContact O-N 3.3Å
230A96Very high95.7Very high25 Ų2533.4 Ų33.421%0.20719%0.188CC..Hα-helixtrans-68.1-3417800000111.4T89 V226 S232 M233 L234T89-A230 HydrophobicContact CG2-CB 3.83Å; V226-A230 HydrophobicContact CG1-CB 4.49Å; V226-A230 WeakPolarHBondContact O-CB 3.42Å; V226-A230 PolarHBondContact O-N 2.86Å; A230-S232 VanDerWaalsContact C-N 3.32Å; A230-S232 PolarHBondContact O-N 3.24Å; A230-M233 PolarHBondContact O-N 3.05Å; A230-L234 VanDerWaalsContact O-CB 3.29Å; A230-L234 WeakPolarHBondContact O-CB 3.48Å; A230-L234 VanDerWaalsContact O-CG 3.25Å; A230-L234 WeakPolarHBondContact O-CG 3.34Å; A230-L234 PolarHBondContact O-N 3.41Å
231G95.9Very high95.5Very high0 Ų029.9 Ų29.90%018%0.175CC..Hα-helixtrans-62.4-39.8173.500000112.1S94 Y227 M228 L229 G235S94-G231 WeakPolarHBondContact CA-O 3.3Å; S94-G231 PolarHBondContact OG-O 2.83Å; Y227-G231 WeakPolarHBondContact O-CA 3.17Å; Y227-G231 PolarHBondContact O-N 3.27Å; M228-G231 PolarHBondContact O-N 3.09Å; L229-G231 VanDerWaalsContact C-N 3.32Å; L229-G231 PolarHBondContact O-N 3.49Å; G231-G235 WeakPolarHBondContact O-CA 3.47Å; G231-G235 PolarHBondContact O-N 3.03Å
232S94.1Very high95.3Very high2 Ų228.6 Ų28.61%0.01416%0.162CC..Hα-helixtrans-64.9-46.5173.3-66.10000112.4N97 I132 M228 L229 A230 M236N97-S232 PolarHBondContact ND2-N 3.31Å; N97-S232 PolarHBondContact ND2-OG 2.88Å; I132-S232 WeakPolarHBondContact CA-OG 3.07Å; I132-S232 WeakPolarHBondContact O-CB 3.45Å; I132-S232 PolarHBondContact O-OG 3.46Å; M228-S232 PolarHBondContact O-N 3.47Å; M228-S232 VanDerWaalsContact O-N 3.11Å; M228-S232 PolarHBondContact O-OG 3.04Å; L229-S232 WeakPolarHBondContact O-CB 3.48Å; L229-S232 PolarHBondContact O-N 3.23Å; A230-S232 VanDerWaalsContact C-N 3.32Å; A230-S232 PolarHBondContact O-N 3.24Å; S232-M236 WeakPolarHBondContact O-CB 3.29Å; S232-M236 VanDerWaalsContact O-CE 3.26Å; S232-M236 WeakPolarHBondContact O-CE 3.39Å; S232-M236 PolarHBondContact O-N 3.25Å
233M92.4Very high95.2Very high115 Ų11526.4 Ų26.457%0.56714%0.144SC*.Hα-helixtrans-64-45.6178.5-69.8-173.372.700112.6P183 L229 A230 G237P183-M233 WeakPolarHBondContact CG-O 3.47Å; L229-M233 WeakPolarHBondContact O-CG 3.42Å; L229-M233 PolarHBondContact O-N 3.3Å; A230-M233 PolarHBondContact O-N 3.05Å; M233-G237 WeakPolarHBondContact O-CA 3.42Å; M233-G237 PolarHBondContact O-N 3.02Å
234L93.1Very high95.1Very high66 Ų6624.3 Ų24.335%0.34614%0.135SC..Hα-helixtrans-70.2-45.8-179.6-69.5169000110.9T89 Y90 S94 A230 M236 G237 H239T89-L234 HydrophobicContact CG2-CD1 4.11Å; Y90-L234 HydrophobicContact CD2-CB 4.25Å; Y90-L234 HydrophobicContact CD2-CD1 4.25Å; Y90-L234 HydrophobicContact CD2-CD2 4.48Å; S94-L234 WeakPolarHBondContact OG-CB 3.06Å; A230-L234 VanDerWaalsContact O-CB 3.29Å; A230-L234 WeakPolarHBondContact O-CB 3.48Å; A230-L234 VanDerWaalsContact O-CG 3.25Å; A230-L234 WeakPolarHBondContact O-CG 3.34Å; A230-L234 PolarHBondContact O-N 3.41Å; L234-M236 PolarHBondContact O-N 3.37Å; L234-G237 PolarHBondContact O-N 3.45Å; L234-G237 VanDerWaalsContact O-N 3.14Å; L234-H239 WeakPolarHBondContact O-CB 3.02Å
235G93.1Very high94.8Very high0 Ų025.5 Ų25.50%014%0.14CC..Hα-helixtrans-63.2-37.5-17900000113.7H98 G231H98-G235 PolarHBondContact ND1-O 3.36Å; G231-G235 WeakPolarHBondContact O-CA 3.47Å; G231-G235 PolarHBondContact O-N 3.03Å
236M91.8Very high94.7Very high28 Ų2824.3 Ų24.314%0.13813%0.132CC..Hα-helixtrans-89.8-5.3175.7-65.7-176.5-73.600113.6T101 Q182 P183 S232 L234 F245T101-M236 HydrophobicContact CG2-CG 4.32Å; T101-M236 HydrophobicContact CG2-SD 3.82Å; Q182-M236 PolarHBondContact OE1-O 3.06Å; P183-M236 HydrophobicContact CB-CB 4Å; P183-M236 HydrophobicContact CB-CE 4.28Å; P183-M236 HydrophobicContact CG-CB 3.75Å; S232-M236 WeakPolarHBondContact O-CB 3.29Å; S232-M236 VanDerWaalsContact O-CE 3.26Å; S232-M236 WeakPolarHBondContact O-CE 3.39Å; S232-M236 PolarHBondContact O-N 3.25Å; L234-M236 PolarHBondContact O-N 3.37Å; M236-F245 HydrophobicContact CB-CE2 4.12Å; M236-F245 HydrophobicContact CB-CZ 4.47Å; M236-F245 HydrophobicContact CG-CE2 4.34Å; M236-F245 HydrophobicContact CG-CZ 4.31Å
237G92.6Very high94.6Very high0 Ų021.9 Ų21.90%012%0.118CC..SBendtrans-104.5-119.1-179.100000111.4I179 M233 L234 H239 S242I179-G237 CarbonylContact O-C 3.41Å; I179-G237 VanDerWaalsContact O-CA 3.24Å; I179-G237 WeakPolarHBondContact O-CA 3.38Å; M233-G237 WeakPolarHBondContact O-CA 3.42Å; M233-G237 PolarHBondContact O-N 3.02Å; L234-G237 PolarHBondContact O-N 3.45Å; L234-G237 VanDerWaalsContact O-N 3.14Å; G237-H239 PolarHBondContact O-N 3.22Å; G237-S242 VanDerWaalsContact O-CB 3.24Å; G237-S242 WeakPolarHBondContact O-CB 3.5Å; G237-S242 PolarHBondContact O-OG 3.33Å
238L89.6Confident94.5Very high63 Ų6322.8 Ų22.833%0.3312%0.122SC..SBendtrans-79.887.4177.1-172.769.4000111.1F176 I179 I180F176-L238 HydrophobicContact CD2-CD1 4.48Å; F176-L238 HydrophobicContact CE2-CD1 4.03Å; F176-L238 HydrophobicContact CE2-CD2 3.57Å; F176-L238 HydrophobicContact CE2-CG 4.46Å; F176-L238 HydrophobicContact CZ-CD2 3.84Å; I179-L238 HydrophobicContact CG2-CB 4.34Å; I179-L238 HydrophobicContact CG2-CD1 3.94Å; I180-L238 HydrophobicContact CG1-CB 3.98Å; I180-L238 HydrophobicContact CG1-CD2 4.39Å
239H94.9Very high94.4Very high10 Ų1023 Ų235%0.04612%0.123CC..SBendtrans-146145.5177.5-170.7-98000110.7C95 L234 G237 I241 S242 L313C95-H239 VanDerWaalsContact SG-CE1 3.57Å; C95-H239 PolarHBondContact SG-NE2 2.91Å; L234-H239 WeakPolarHBondContact O-CB 3.02Å; G237-H239 PolarHBondContact O-N 3.22Å; H239-I241 PolarHBondContact ND1-N 2.88Å; H239-I241 PolarHBondContact O-N 2.95Å; H239-S242 PolarHBondContact N-OG 3.45Å; H239-S242 PolarHBondContact O-N 3.22Å; H239-S242 PolarHBondContact O-OG 2.95Å; H239-L313 WeakPolarHBondContact O-CD1 3.44Å
240P94.1Very high94.4Very high50 Ų5020 Ų2033%0.32511%0.108SC..G310 helixtrans-51.6-33.2-179-33.439.1000115.6W309 V310P240-W309 WeakPolarHBondContact O-CB 3.17Å; P240-V310 HydrophobicContact CB-CG2 3.62Å; P240-V310 HydrophobicContact CG-CG2 4.26Å
241I95.1Very high94.3Very high4 Ų418.9 Ų18.92%0.02110%0.098CC..G310 helixtrans-76.3-33.1-178.4-48.7175.9000111.5H98 H239 G243 H244 L265 L268 T269 W309H98-I241 WeakPolarHBondContact CD2-CG2 3.27Å; H98-I241 VanDerWaalsContact NE2-CG2 3.34Å; H98-I241 WeakPolarHBondContact NE2-CG2 3.48Å; H239-I241 PolarHBondContact ND1-N 2.88Å; H239-I241 PolarHBondContact O-N 2.95Å; I241-G243 PolarHBondContact O-N 2.67Å; I241-H244 PolarHBondContact O-CD2 2.91Å; I241-H244 VanDerWaalsContact O-CD2 3.31Å; I241-H244 PolarHBondContact O-N 2.98Å; I241-L265 HydrophobicContact CG1-CD2 4.36Å; I241-L268 HydrophobicContact CD1-CD1 4.29Å; I241-T269 HydrophobicContact CG2-CG2 3.33Å; I241-W309 HydrophobicContact CG2-CE3 4.17Å; I241-W309 HydrophobicContact CG2-CZ3 3.83Å
242S94.7Very high94.3Very high0 Ų021.3 Ų21.30%011%0.109CC..G310 helixtrans-66.5-9.6-17669.60000114.7G237 H239 H244 F245G237-S242 VanDerWaalsContact O-CB 3.24Å; G237-S242 WeakPolarHBondContact O-CB 3.5Å; G237-S242 PolarHBondContact O-OG 3.33Å; H239-S242 PolarHBondContact N-OG 3.45Å; H239-S242 PolarHBondContact O-N 3.22Å; H239-S242 PolarHBondContact O-OG 2.95Å; S242-H244 PolarHBondContact O-N 3.07Å; S242-F245 WeakPolarHBondContact O-CD2 3.48Å; S242-F245 PolarHBondContact O-N 3.18Å; S242-F245 VanDerWaalsContact O-N 3.08Å
243G95.9Very high94.2Very high0 Ų025.6 Ų25.60%013%0.131CC..G310 helixtrans-57.3-19171.800000113.6I241 F245 I246 A247I241-G243 PolarHBondContact O-N 2.67Å; G243-F245 VanDerWaalsContact C-N 3.35Å; G243-F245 PolarHBondContact O-N 2.79Å; G243-I246 PolarHBondContact O-N 3.07Å; G243-A247 VanDerWaalsContact O-CB 3.27Å; G243-A247 WeakPolarHBondContact O-CB 3.45Å; G243-A247 PolarHBondContact O-N 3.45Å
244H94.9Very high94.2Very high5 Ų527 Ų272%0.02313%0.134CC..Hα-helixtrans-60.5-40.1173.487.189.9000112.7H98 I241 S242 I246 A247 E248 W309H98-H244 AromaticContact CE1-CD2 3.43Å; H98-H244 PolarHBondContact CE1-CD2 2.87Å; H98-H244 VanDerWaalsContact CE1-CD2 3.43Å; H98-H244 AromaticContact CE1-NE2 3.26Å; H98-H244 PolarHBondContact CE1-NE2 3.46Å; H98-H244 VanDerWaalsContact CE1-NE2 3.26Å; H98-H244 AromaticContact NE2-CD2 3.09Å; H98-H244 PolarHBondContact NE2-CD2 3.4Å; H98-H244 AromaticContact NE2-NE2 3.06Å; H98-H244 PolarHBondContact NE2-NE2 3.06Å; I241-H244 PolarHBondContact O-CD2 2.91Å; I241-H244 VanDerWaalsContact O-CD2 3.31Å; I241-H244 PolarHBondContact O-N 2.98Å; S242-H244 PolarHBondContact O-N 3.07Å; H244-I246 PolarHBondContact O-N 3.3Å; H244-A247 PolarHBondContact O-N 3.19Å; H244-A247 VanDerWaalsContact O-N 3.09Å; H244-E248 IonicContact CE1-OE1 2.84Å; H244-E248 IonicContact CG-OE1 3.93Å; H244-E248 VanDerWaalsContact ND1-CD 3.31Å; H244-E248 IonicContact ND1-OE1 3.58Å; H244-E248 PolarHBondContact ND1-OE1 2.88Å; H244-E248 IonicContact ND1-OE2 3.96Å; H244-E248 PolarHBondContact ND1-OE2 3.27Å; H244-E248 WeakPolarHBondContact O-CB 3.42Å; H244-E248 WeakPolarHBondContact O-CG 3.41Å; H244-E248 PolarHBondContact O-N 3.23Å; H244-W309 HydrophobicContact CB-CD2 3.89Å; H244-W309 VanDerWaalsContact CB-CE2 3.42Å; H244-W309 HydrophobicContact CB-CE3 4.2Å; H244-W309 HydrophobicContact CB-CH2 3.75Å; H244-W309 HydrophobicContact CB-CZ2 3.36Å; H244-W309 HydrophobicContact CB-CZ3 4.16Å
245F93.4Very high94Very high25 Ų2526.6 Ų26.611%0.1115%0.146CC..Hα-helixtrans-58.6-24.2178.2-67.9-62.1000113.6H98 Q182 Y186 M236 S242 G243H98-F245 AromaticContact CE1-CE2 3.76Å; Q182-F245 VanDerWaalsContact OE1-CD2 3.27Å; Y186-F245 HydrophobicContact CE1-CD1 4.17Å; Y186-F245 HydrophobicContact CE1-CE1 4.35Å; Y186-F245 HydrophobicContact CE2-CB 4.49Å; Y186-F245 HydrophobicContact CE2-CD1 4.15Å; Y186-F245 HydrophobicContact CE2-CG 4.4Å; Y186-F245 AromaticContact CZ-CD1 3.75Å; M236-F245 HydrophobicContact CB-CE2 4.12Å; M236-F245 HydrophobicContact CB-CZ 4.47Å; M236-F245 HydrophobicContact CG-CE2 4.34Å; M236-F245 HydrophobicContact CG-CZ 4.31Å; S242-F245 WeakPolarHBondContact O-CD2 3.48Å; S242-F245 PolarHBondContact O-N 3.18Å; S242-F245 VanDerWaalsContact O-N 3.08Å; G243-F245 VanDerWaalsContact C-N 3.35Å; G243-F245 PolarHBondContact O-N 2.79Å
246I95.8Very high94Very high0 Ų029.4 Ų29.40%016%0.159CC..Hα-helixtrans-94.5-47.1172.8-68.9161.8000110.3W178 I179 G243 H244 E248 Y250 F252 V312 L313 F316W178-I246 HydrophobicContact CZ3-CD1 4.11Å; W178-I246 HydrophobicContact CZ3-CG1 4.13Å; I179-I246 HydrophobicContact CD1-CD1 3.96Å; I179-I246 HydrophobicContact CG1-CD1 3.88Å; G243-I246 PolarHBondContact O-N 3.07Å; H244-I246 PolarHBondContact O-N 3.3Å; I246-E248 PolarHBondContact O-N 2.67Å; I246-Y250 VanDerWaalsContact CA-CD2 3.49Å; I246-Y250 HydrophobicContact CB-CD2 4.2Å; I246-Y250 HydrophobicContact CG1-CD2 4.43Å; I246-Y250 HydrophobicContact CG1-CE2 4.33Å; I246-Y250 HydrophobicContact CG2-CD2 4.06Å; I246-Y250 HydrophobicContact CG2-CG 3.97Å; I246-Y250 VanDerWaalsContact O-CB 3.25Å; I246-Y250 WeakPolarHBondContact O-CB 3.38Å; I246-Y250 WeakPolarHBondContact O-CD2 3.19Å; I246-Y250 PolarHBondContact O-N 2.89Å; I246-Y250 VanDerWaalsContact O-N 3.12Å; I246-F252 HydrophobicContact CG2-CE2 3.57Å; I246-F252 HydrophobicContact CG2-CZ 3.83Å; I246-V312 HydrophobicContact CB-CG1 4.03Å; I246-V312 HydrophobicContact CG2-CG1 3.69Å; I246-L313 HydrophobicContact CD1-CD2 3.89Å; I246-F316 HydrophobicContact CD1-CB 4.26Å; I246-F316 HydrophobicContact CD1-CD1 3.8Å; I246-F316 HydrophobicContact CD1-CD2 4.4Å; I246-F316 HydrophobicContact CD1-CE1 4.22Å; I246-F316 HydrophobicContact CD1-CG 3.89Å; I246-F316 HydrophobicContact CG2-CB 4.15Å; I246-F316 HydrophobicContact CG2-CD2 3.69Å; I246-F316 HydrophobicContact CG2-CE2 4.32Å; I246-F316 HydrophobicContact CG2-CG 4.01Å
247A95.9Very high94.1Very high2 Ų229.2 Ų29.22%0.01716%0.157CC..Hα-helixtrans-55.6-39.1-175.300000112.2G243 H244 Y259 Y306 V312G243-A247 VanDerWaalsContact O-CB 3.27Å; G243-A247 WeakPolarHBondContact O-CB 3.45Å; G243-A247 PolarHBondContact O-N 3.45Å; H244-A247 PolarHBondContact O-N 3.19Å; H244-A247 VanDerWaalsContact O-N 3.09Å; A247-Y259 WeakPolarHBondContact O-CB 3.3Å; A247-Y259 WeakPolarHBondContact O-CD2 3.43Å; A247-Y306 HydrophobicContact CB-CD2 3.77Å; A247-Y306 HydrophobicContact CB-CE2 3.86Å; A247-Y306 WeakPolarHBondContact O-CE2 3.38Å; A247-V312 HydrophobicContact CB-CB 4.45Å; A247-V312 HydrophobicContact CB-CG1 3.96Å; A247-V312 HydrophobicContact CB-CG2 4.02Å
248E95.6Very high94.3Very high21 Ų2129.5 Ų29.510%0.09816%0.16CC..THydrogen-bonded Turntrans-63.9-46.8-169.5-78169.2-17400112.9H244 I246 T258 Y259 H275H244-E248 IonicContact CE1-OE1 2.84Å; H244-E248 IonicContact CG-OE1 3.93Å; H244-E248 VanDerWaalsContact ND1-CD 3.31Å; H244-E248 IonicContact ND1-OE1 3.58Å; H244-E248 PolarHBondContact ND1-OE1 2.88Å; H244-E248 IonicContact ND1-OE2 3.96Å; H244-E248 PolarHBondContact ND1-OE2 3.27Å; H244-E248 WeakPolarHBondContact O-CB 3.42Å; H244-E248 WeakPolarHBondContact O-CG 3.41Å; H244-E248 PolarHBondContact O-N 3.23Å; I246-E248 PolarHBondContact O-N 2.67Å; E248-T258 CarbonylContact O-C 3.5Å; E248-T258 WeakPolarHBondContact O-CA 3.43Å; E248-Y259 PolarHBondContact O-N 3.43Å; E248-H275 VanDerWaalsContact CB-CD2 3.43Å; E248-H275 WeakPolarHBondContact CB-CD2 3.39Å; E248-H275 WeakPolarHBondContact CB-NE2 3.22Å; E248-H275 HydrophobicContact CG-CB 4.26Å; E248-H275 VanDerWaalsContact CG-CD2 3.46Å; E248-H275 WeakPolarHBondContact CG-CD2 3.43Å; E248-H275 IonicContact OE2-CE1 3.09Å; E248-H275 IonicContact OE2-NE2 3.75Å
249H96.9Very high94.7Very high4 Ų426.8 Ų26.82%0.01915%0.145CC..THydrogen-bonded Turntrans-131.42.3-169.3-69.6-56.6000116.8H147 E257 T258 H275 H279 R327H147-H249 AromaticContact CE1-CD2 3.4Å; H147-H249 PolarHBondContact CE1-CD2 3Å; H147-H249 VanDerWaalsContact CE1-CD2 3.4Å; H147-H249 AromaticContact CE1-NE2 3.36Å; H147-H249 PolarHBondContact CE1-NE2 3.33Å; H147-H249 AromaticContact NE2-CD2 3.44Å; H147-H249 PolarHBondContact NE2-CD2 3.22Å; H147-H249 AromaticContact NE2-CE1 3.9Å; H147-H249 AromaticContact NE2-NE2 3Å; H147-H249 PolarHBondContact NE2-NE2 3.48Å; H249-E257 VanDerWaalsContact CA-O 3.31Å; H249-E257 WeakPolarHBondContact CA-O 3.34Å; H249-E257 PolarHBondContact ND1-O 3.48Å; H249-T258 PolarHBondContact CE1-OG1 3.06Å; H249-T258 PolarHBondContact ND1-OG1 3.41Å; H249-H275 AromaticContact CD2-NE2 3.64Å; H249-H275 AromaticContact CE1-CD2 3.85Å; H249-H275 AromaticContact CE1-NE2 3.39Å; H249-H275 PolarHBondContact CE1-NE2 2.94Å; H249-H275 AromaticContact NE2-CD2 3.72Å; H249-H275 AromaticContact NE2-CE1 3.85Å; H249-H275 AromaticContact NE2-NE2 2.85Å; H249-H275 PolarHBondContact NE2-NE2 2.93Å; H249-H279 AromaticContact CE1-CE1 3.47Å; H249-H279 PolarHBondContact CE1-CE1 3.28Å; H249-H279 VanDerWaalsContact CE1-CE1 3.47Å; H249-H279 AromaticContact CE1-NE2 3.47Å; H249-H279 PolarHBondContact CE1-NE2 2.55Å; H249-H279 AromaticContact NE2-CE1 3.39Å; H249-H279 PolarHBondContact NE2-CE1 2.91Å; H249-H279 AromaticContact NE2-NE2 3.16Å; H249-H279 PolarHBondContact NE2-NE2 2.8Å; H249-H279 VanDerWaalsContact NE2-NE2 3.16Å; H249-R327 VanDerWaalsContact O-CD 3.24Å; H249-R327 WeakPolarHBondContact O-CD 3.4Å; H249-R327 PolarHBondContact O-NE 3.47Å
250Y96.3Very high94.9Very high0 Ų026.4 Ų26.40%014%0.143CC..  trans-84.5130.2175.3-73.9-105.9000110.9P161 W178 I246 F252 Y259 F316 S326 R327P161-Y250 HydrophobicContact CG-CE1 4.43Å; P161-Y250 WeakPolarHBondContact CG-OH 3.34Å; W178-Y250 AromaticContact CH2-CZ 3.86Å; W178-Y250 WeakPolarHBondContact CH2-OH 3.3Å; W178-Y250 WeakPolarHBondContact CZ2-OH 3.24Å; I246-Y250 VanDerWaalsContact CA-CD2 3.49Å; I246-Y250 HydrophobicContact CB-CD2 4.2Å; I246-Y250 HydrophobicContact CG1-CD2 4.43Å; I246-Y250 HydrophobicContact CG1-CE2 4.33Å; I246-Y250 HydrophobicContact CG2-CD2 4.06Å; I246-Y250 HydrophobicContact CG2-CG 3.97Å; I246-Y250 VanDerWaalsContact O-CB 3.25Å; I246-Y250 WeakPolarHBondContact O-CB 3.38Å; I246-Y250 WeakPolarHBondContact O-CD2 3.19Å; I246-Y250 PolarHBondContact O-N 2.89Å; I246-Y250 VanDerWaalsContact O-N 3.12Å; Y250-F252 VanDerWaalsContact C-N 3.33Å; Y250-F252 WeakPolarHBondContact O-CD2 3.16Å; Y250-F252 PolarHBondContact O-N 3.34Å; Y250-Y259 WeakPolarHBondContact O-CE2 3.47Å; Y250-F316 HydrophobicContact CD1-CD2 4.47Å; Y250-F316 AromaticContact CD1-CE2 3.72Å; Y250-F316 HydrophobicContact CD1-CE2 3.72Å; Y250-F316 AromaticContact CE1-CE2 3.91Å; Y250-F316 HydrophobicContact CE1-CE2 3.91Å; Y250-F316 HydrophobicContact CE1-CZ 4.25Å; Y250-F316 HydrophobicContact CG-CE2 4.49Å; Y250-S326 CarbonylContact C-O 3.5Å; Y250-S326 VanDerWaalsContact CA-O 3.23Å; Y250-S326 WeakPolarHBondContact CA-O 3.45Å; Y250-R327 HydrophobicContact CD1-CG 4.15Å; Y250-R327 HydrophobicContact CE1-CG 3.94Å
251M94.9Very high95.1Very high2 Ų224.3 Ų24.31%0.0113%0.129CC..  trans-78.180.7-177.3-174.7175.653.600110.7E27 L253 K254 G255 H256 S326 I328E27-M251 HydrophobicContact CB-CE 3.46Å; E27-M251 VanDerWaalsContact CB-CE 3.46Å; E27-M251 HydrophobicContact CB-SD 4.37Å; E27-M251 HydrophobicContact CG-CE 3.9Å; E27-M251 HydrophobicContact CG-SD 4.35Å; M251-L253 VanDerWaalsContact C-N 3.29Å; M251-L253 WeakPolarHBondContact CG-O 3.41Å; M251-K254 HydrophobicContact SD-CG 4.42Å; M251-G255 PolarHBondContact SD-N 3.16Å; M251-H256 WeakPolarHBondContact CB-O 3.26Å; M251-H256 VanDerWaalsContact CG-O 3.32Å; M251-H256 WeakPolarHBondContact CG-O 3.33Å; M251-S326 PolarHBondContact N-O 2.89Å; M251-I328 HydrophobicContact CE-CG1 4.48Å; M251-I328 HydrophobicContact SD-CD1 3.94Å; M251-I328 HydrophobicContact SD-CG1 3.95Å
252F94.5Very high95.2Very high51 Ų5126.4 Ų26.422%0.22414%0.137CC..SBendtrans-72.1-26.6172-82.6-122.5000112.2I246 Y250 Y259 Y306 V312 D315 F316 L322I246-F252 HydrophobicContact CG2-CE2 3.57Å; I246-F252 HydrophobicContact CG2-CZ 3.83Å; Y250-F252 VanDerWaalsContact C-N 3.33Å; Y250-F252 WeakPolarHBondContact O-CD2 3.16Å; Y250-F252 PolarHBondContact O-N 3.34Å; F252-Y259 PolarHBondContact N-OH 3.35Å; F252-Y259 VanDerWaalsContact N-OH 3.16Å; F252-Y306 VanDerWaalsContact CB-OH 3.26Å; F252-Y306 WeakPolarHBondContact CB-OH 3.36Å; F252-Y306 HydrophobicContact CD1-CE1 4.38Å; F252-Y306 WeakPolarHBondContact CD2-OH 3.44Å; F252-Y306 WeakPolarHBondContact CG-OH 3.29Å; F252-V312 HydrophobicContact CE1-CG1 4.43Å; F252-V312 HydrophobicContact CE2-CG1 4.31Å; F252-V312 HydrophobicContact CZ-CG1 3.76Å; F252-D315 HydrophobicContact CE1-CB 3.94Å; F252-F316 HydrophobicContact CE2-CD2 4.4Å; F252-F316 HydrophobicContact CZ-CB 4.04Å; F252-F316 HydrophobicContact CZ-CD2 4.36Å; F252-L322 HydrophobicContact CD1-CD1 3.52Å; F252-L322 HydrophobicContact CD2-CD1 4.26Å; F252-L322 HydrophobicContact CD2-CD2 4.37Å; F252-L322 HydrophobicContact CE1-CD1 3.33Å; F252-L322 HydrophobicContact CE2-CD1 4.09Å; F252-L322 HydrophobicContact CG-CD1 4.01Å; F252-L322 HydrophobicContact CG-CD2 4.26Å; F252-L322 HydrophobicContact CZ-CD1 3.65Å
253L93.6Very high95.3Very high92 Ų9227.2 Ų27.248%0.48215%0.146SC..SBendtrans-123.2123.2174-176.763.8000108.3M251 G255 H256 Y259 P304M251-L253 VanDerWaalsContact C-N 3.29Å; M251-L253 WeakPolarHBondContact CG-O 3.41Å; L253-G255 PolarHBondContact O-N 2.74Å; L253-H256 PolarHBondContact O-N 3.3Å; L253-H256 VanDerWaalsContact O-N 3.11Å; L253-Y259 PolarHBondContact N-OH 3.05Å; L253-Y259 PolarHBondContact O-OH 3.48Å; L253-P304 HydrophobicContact CD2-CB 4.48Å; L253-P304 HydrophobicContact CD2-CG 3.75Å
254K90.4Very high95.3Very high144 Ų14431.8 Ų31.863%0.62618%0.177SC*.THydrogen-bonded Turntrans-53.5132.3-177-170.9173.6-176.4172.10111.1E27 M251E27-K254 WeakPolarHBondContact OE1-CE 3.23Å; E27-K254 IonicContact OE1-NZ 2.75Å; M251-K254 HydrophobicContact SD-CG 4.42Å
255G89.6Confident95.3Very high58 Ų5833.1 Ų33.160%0.59818%0.184SC*.THydrogen-bonded Turntrans89.8-3.7179.400000115M251 L253M251-G255 PolarHBondContact SD-N 3.16Å; L253-G255 PolarHBondContact O-N 2.74Å
256H93.4Very high95.4Very high59 Ų5932.4 Ų32.427%0.27318%0.181SC..  trans-112.3123.1175.7-64.5-87.2000110.8M251 L253 Y259 P304M251-H256 WeakPolarHBondContact CB-O 3.26Å; M251-H256 VanDerWaalsContact CG-O 3.32Å; M251-H256 WeakPolarHBondContact CG-O 3.33Å; L253-H256 PolarHBondContact O-N 3.3Å; L253-H256 VanDerWaalsContact O-N 3.11Å; H256-Y259 HydrophobicContact CB-CE1 4.09Å; H256-Y259 HydrophobicContact CB-CE2 4.25Å; H256-Y259 WeakPolarHBondContact CB-OH 3.41Å; H256-Y259 WeakPolarHBondContact O-CE2 3.39Å; H256-Y259 PolarHBondContact O-OH 3.18Å; H256-P304 HydrophobicContact CB-CG 4.49Å; H256-P304 WeakPolarHBondContact CE1-CD 3.49Å; H256-P304 WeakPolarHBondContact ND1-CD 3.15Å
257E94Very high95.3Very high23 Ų2339.5 Ų39.511%0.10722%0.218CC..  trans-110.3-5.8-177.364-179.1120.600114.7P34 L151 H249 I328 R330P34-E257 WeakPolarHBondContact CD-OE1 3.33Å; P34-E257 HydrophobicContact CG-CG 4.28Å; L151-E257 HydrophobicContact CD2-CG 4.45Å; H249-E257 VanDerWaalsContact CA-O 3.31Å; H249-E257 WeakPolarHBondContact CA-O 3.34Å; H249-E257 PolarHBondContact ND1-O 3.48Å; E257-I328 HydrophobicContact CB-CB 4.11Å; E257-I328 HydrophobicContact CB-CD1 3.76Å; E257-I328 HydrophobicContact CB-CG1 3.85Å; E257-R330 IonicContact OE1-CZ 3.05Å; E257-R330 IonicContact OE1-NH1 3.57Å; E257-R330 IonicContact OE1-NH2 2.76Å; E257-R330 PolarHBondContact OE1-NH2 3.2Å; E257-R330 IonicContact OE2-CZ 3.75Å; E257-R330 IonicContact OE2-NH1 2.75Å; E257-R330 PolarHBondContact OE2-NH1 2.89Å; E257-R330 IonicContact OE2-NH2 3.59Å; E257-R330 PolarHBondContact OE2-NH2 3.12Å
258T97.1Very high95.2Very high7 Ų743.5 Ų43.54%0.04324%0.239CC..  trans-142.3129.6179.2-51.70000110H35 E248 H249 N276H35-T258 PolarHBondContact CE1-OG1 3.15Å; H35-T258 WeakPolarHBondContact NE2-CB 3.45Å; H35-T258 PolarHBondContact NE2-OG1 3.21Å; E248-T258 CarbonylContact O-C 3.5Å; E248-T258 WeakPolarHBondContact O-CA 3.43Å; H249-T258 PolarHBondContact CE1-OG1 3.06Å; H249-T258 PolarHBondContact ND1-OG1 3.41Å; T258-N276 PolarHBondContact O-ND2 3.25Å
259Y98Very high95.2Very high6 Ų642.6 Ų42.62%0.02423%0.234CC..  trans-126.4142.3-179.5-56.8-105.2000111A247 E248 Y250 F252 L253 H256 H275 P304 Y306A247-Y259 WeakPolarHBondContact O-CB 3.3Å; A247-Y259 WeakPolarHBondContact O-CD2 3.43Å; E248-Y259 PolarHBondContact O-N 3.43Å; Y250-Y259 WeakPolarHBondContact O-CE2 3.47Å; F252-Y259 PolarHBondContact N-OH 3.35Å; F252-Y259 VanDerWaalsContact N-OH 3.16Å; L253-Y259 PolarHBondContact N-OH 3.05Å; L253-Y259 PolarHBondContact O-OH 3.48Å; H256-Y259 HydrophobicContact CB-CE1 4.09Å; H256-Y259 HydrophobicContact CB-CE2 4.25Å; H256-Y259 WeakPolarHBondContact CB-OH 3.41Å; H256-Y259 WeakPolarHBondContact O-CE2 3.39Å; H256-Y259 PolarHBondContact O-OH 3.18Å; Y259-H275 WeakPolarHBondContact O-CB 3.37Å; Y259-P304 HydrophobicContact CD1-CB 3.72Å; Y259-P304 HydrophobicContact CE1-CB 3.63Å; Y259-P304 HydrophobicContact CE1-CG 4.38Å; Y259-Y306 VanDerWaalsContact CB-CE2 3.44Å; Y259-Y306 AromaticContact CD1-CE2 3.79Å; Y259-Y306 HydrophobicContact CD1-CE2 3.79Å; Y259-Y306 HydrophobicContact CD2-CE2 4.25Å; Y259-Y306 HydrophobicContact CG-CD2 4.36Å; Y259-Y306 AromaticContact CG-CE2 3.57Å; Y259-Y306 HydrophobicContact CG-CE2 3.57Å
260S98.4Very high95.2Very high2 Ų244.2 Ų44.21%0.01424%0.242CC..EExtended strand (participates in β ladder)trans-94.4149.7169.6-620000110.8Y262 G273 H275 N276 E277 Q305 Y306S260-Y262 WeakPolarHBondContact CB-OH 3.32Å; S260-G273 CarbonylContact C-O 3.1Å; S260-G273 WeakPolarHBondContact CA-O 3.42Å; S260-G273 VanDerWaalsContact CB-O 3.29Å; S260-G273 WeakPolarHBondContact CB-O 3.48Å; S260-H275 PolarHBondContact OG-N 2.91Å; S260-N276 PolarHBondContact N-ND2 3.08Å; S260-N276 WeakPolarHBondContact OG-CB 3.32Å; S260-N276 PolarHBondContact OG-N 3.31Å; S260-N276 PolarHBondContact OG-ND2 3.38Å; S260-E277 PolarHBondContact OG-OE2 3.33Å; S260-Q305 CarbonylContact O-C 3.45Å; S260-Q305 WeakPolarHBondContact O-CA 3.38Å; S260-Q305 WeakPolarHBondContact O-CB 3.33Å; S260-Y306 PolarHBondContact O-N 2.93Å
261Y98.1Very high95.3Very high6 Ų645.8 Ų45.82%0.02425%0.25CC..EExtended strand (participates in β ladder)trans-113.8123.9169.6164.9-96.1000110.2G263 C264 L265 N266 G273 Y306 T307 W309Y261-G263 WeakPolarHBondContact CE1-O 3.45Å; Y261-G263 VanDerWaalsContact OH-CA 3.25Å; Y261-G263 WeakPolarHBondContact OH-CA 3.47Å; Y261-C264 PolarHBondContact OH-N 3.31Å; Y261-L265 HydrophobicContact CE1-CB 3.96Å; Y261-L265 WeakPolarHBondContact OH-CB 3.13Å; Y261-L265 WeakPolarHBondContact OH-CG 3.48Å; Y261-L265 PolarHBondContact OH-N 3.15Å; Y261-L265 VanDerWaalsContact OH-N 3.16Å; Y261-N266 PolarHBondContact O-ND2 2.7Å; Y261-G273 PolarHBondContact N-O 3.42Å; Y261-G273 CarbonylContact O-C 3.43Å; Y261-G273 VanDerWaalsContact O-C 3.25Å; Y261-G273 WeakPolarHBondContact O-CA 3.44Å; Y261-Y306 WeakPolarHBondContact CA-O 3.27Å; Y261-T307 VanDerWaalsContact CE2-O 3.32Å; Y261-T307 WeakPolarHBondContact CE2-O 3.1Å; Y261-W309 VanDerWaalsContact CB-NE1 3.31Å; Y261-W309 HydrophobicContact CD1-CD2 4.06Å; Y261-W309 AromaticContact CD1-CE2 3.48Å; Y261-W309 VanDerWaalsContact CD1-CE2 3.48Å; Y261-W309 HydrophobicContact CD1-CE3 4.49Å; Y261-W309 AromaticContact CD1-CH2 3.89Å; Y261-W309 HydrophobicContact CD1-CH2 3.89Å; Y261-W309 AromaticContact CD1-CZ2 3.4Å; Y261-W309 HydrophobicContact CD1-CZ2 3.4Å; Y261-W309 HydrophobicContact CD1-CZ3 4.41Å; Y261-W309 AromaticContact CD1-NE1 3.92Å; Y261-W309 AromaticContact CD2-CD1 3.72Å; Y261-W309 HydrophobicContact CD2-CD2 4.2Å; Y261-W309 AromaticContact CD2-CE2 3.94Å; Y261-W309 HydrophobicContact CD2-CG 4.06Å; Y261-W309 AromaticContact CD2-NE1 3.64Å; Y261-W309 HydrophobicContact CE1-CD2 4.14Å; Y261-W309 HydrophobicContact CE1-CE3 4.25Å; Y261-W309 HydrophobicContact CE1-CH2 4.14Å; Y261-W309 HydrophobicContact CE1-CZ2 4.04Å; Y261-W309 HydrophobicContact CE1-CZ3 4.23Å; Y261-W309 HydrophobicContact CE2-CD2 4.25Å; Y261-W309 HydrophobicContact CE2-CG 4.13Å; Y261-W309 AromaticContact CG-CD1 3.94Å; Y261-W309 HydrophobicContact CG-CD2 4.1Å; Y261-W309 AromaticContact CG-CE2 3.44Å; Y261-W309 VanDerWaalsContact CG-CE2 3.44Å; Y261-W309 HydrophobicContact CG-CG 4.37Å; Y261-W309 AromaticContact CG-CZ2 3.76Å; Y261-W309 HydrophobicContact CG-CZ2 3.76Å; Y261-W309 AromaticContact CG-NE1 3.35Å; Y261-W309 VanDerWaalsContact CG-NE1 3.35Å
262Y97.2Very high95.4Very high47 Ų4745.9 Ų45.918%0.18425%0.251CS..  trans-116.752.4178.8-53.4-61000111.7S260 Y274 E277 K293 Q305 Y306S260-Y262 WeakPolarHBondContact CB-OH 3.32Å; Y262-Y274 AromaticContact CD1-CD1 3.94Å; Y262-Y274 HydrophobicContact CD1-CD1 3.94Å; Y262-Y274 HydrophobicContact CD1-CD2 4.3Å; Y262-Y274 AromaticContact CD1-CE1 3.59Å; Y262-Y274 HydrophobicContact CD1-CE1 3.59Å; Y262-Y274 HydrophobicContact CD1-CE2 4.03Å; Y262-Y274 HydrophobicContact CD1-CG 4.26Å; Y262-Y274 AromaticContact CD1-CZ 3.65Å; Y262-Y274 AromaticContact CE1-CD1 3.42Å; Y262-Y274 HydrophobicContact CE1-CD1 3.42Å; Y262-Y274 VanDerWaalsContact CE1-CD1 3.42Å; Y262-Y274 HydrophobicContact CE1-CD2 4.43Å; Y262-Y274 AromaticContact CE1-CE1 3.43Å; Y262-Y274 HydrophobicContact CE1-CE1 3.43Å; Y262-Y274 VanDerWaalsContact CE1-CE1 3.43Å; Y262-Y274 HydrophobicContact CE1-CE2 4.48Å; Y262-Y274 AromaticContact CE1-CG 3.93Å; Y262-Y274 HydrophobicContact CE1-CG 3.93Å; Y262-E277 WeakPolarHBondContact CE1-OE1 3.42Å; Y262-E277 PolarHBondContact OH-OE1 2.97Å; Y262-E277 PolarHBondContact OH-OE2 3.09Å; Y262-K293 HydrophobicContact CD1-CD 4.42Å; Y262-K293 HydrophobicContact CE1-CD 3.69Å; Y262-K293 HydrophobicContact CE2-CD 4.29Å; Y262-K293 VanDerWaalsContact CZ-NZ 3.29Å; Y262-K293 PolarHBondContact OH-NZ 3.23Å; Y262-Q305 HydrophobicContact CD2-CB 3.98Å; Y262-Q305 HydrophobicContact CD2-CG 4.3Å; Y262-Q305 HydrophobicContact CE2-CB 3.86Å; Y262-Q305 HydrophobicContact CE2-CG 4.39Å; Y262-Y306 PolarHBondContact N-O 2.8Å
263G96.3Very high95.5Very high18 Ų1843.5 Ų43.519%0.18624%0.24CC..SBendtrans-115.3-178.3175.800000113.9Y261 L265 N266Y261-G263 WeakPolarHBondContact CE1-O 3.45Å; Y261-G263 VanDerWaalsContact OH-CA 3.25Å; Y261-G263 WeakPolarHBondContact OH-CA 3.47Å; G263-L265 VanDerWaalsContact C-N 3.28Å; G263-L265 PolarHBondContact O-N 2.85Å; G263-N266 WeakPolarHBondContact O-CB 3.36Å; G263-N266 PolarHBondContact O-N 2.75Å; G263-N266 PolarHBondContact O-ND2 2.95Å
264C95.9Very high95.7Very high96 Ų9641.1 Ų41.165%0.64923%0.225SC*.G310 helixtrans-68-21.9-170.760.60000114.5Y261 N266 L267Y261-C264 PolarHBondContact OH-N 3.31Å; C264-N266 PolarHBondContact O-N 3.44Å; C264-N266 VanDerWaalsContact O-N 3.14Å; C264-L267 WeakPolarHBondContact O-CB 3.29Å; C264-L267 WeakPolarHBondContact O-CG 3.48Å; C264-L267 PolarHBondContact O-N 3.12Å; C264-L267 VanDerWaalsContact O-N 3.09Å
265L96.1Very high96.1Very high33 Ų3334.4 Ų34.417%0.17320%0.196CC..G310 helixtrans-66.2-16.6-179.7-62.1175.7000112.3I241 Y261 G263 L267 L268 T269 W309I241-L265 HydrophobicContact CG1-CD2 4.36Å; Y261-L265 HydrophobicContact CE1-CB 3.96Å; Y261-L265 WeakPolarHBondContact OH-CB 3.13Å; Y261-L265 WeakPolarHBondContact OH-CG 3.48Å; Y261-L265 PolarHBondContact OH-N 3.15Å; Y261-L265 VanDerWaalsContact OH-N 3.16Å; G263-L265 VanDerWaalsContact C-N 3.28Å; G263-L265 PolarHBondContact O-N 2.85Å; L265-L267 PolarHBondContact O-N 3.02Å; L265-L267 VanDerWaalsContact O-N 3.14Å; L265-L268 PolarHBondContact O-N 3.28Å; L265-T269 VanDerWaalsContact C-OG1 3.28Å; L265-T269 WeakPolarHBondContact O-CB 3.38Å; L265-T269 WeakPolarHBondContact O-CG2 3.18Å; L265-T269 PolarHBondContact O-N 3.24Å; L265-T269 PolarHBondContact O-OG1 3.01Å; L265-W309 HydrophobicContact CB-CE3 3.77Å; L265-W309 HydrophobicContact CB-CZ3 3.65Å; L265-W309 HydrophobicContact CD1-CB 4.33Å; L265-W309 HydrophobicContact CD1-CD2 4.4Å; L265-W309 HydrophobicContact CD1-CE3 3.6Å; L265-W309 HydrophobicContact CD1-CZ3 4.32Å; L265-W309 HydrophobicContact CG-CE3 4.33Å
266N96.3Very high96.6Very high9 Ų931.9 Ų31.95%0.04817%0.169CC..G310 helixtrans-53.1-30.5169.7-83.4-38.4000113.2Y261 G263 C264 L268 T269 F270 N271 G273Y261-N266 PolarHBondContact O-ND2 2.7Å; G263-N266 WeakPolarHBondContact O-CB 3.36Å; G263-N266 PolarHBondContact O-N 2.75Å; G263-N266 PolarHBondContact O-ND2 2.95Å; C264-N266 PolarHBondContact O-N 3.44Å; C264-N266 VanDerWaalsContact O-N 3.14Å; N266-L268 PolarHBondContact O-N 3.3Å; N266-T269 WeakPolarHBondContact CA-OG1 3.33Å; N266-T269 PolarHBondContact N-OG1 3.09Å; N266-T269 PolarHBondContact O-N 3.32Å; N266-F270 PolarHBondContact O-N 3.33Å; N266-N271 PolarHBondContact O-N 3.11Å; N266-N271 VanDerWaalsContact O-N 3.07Å; N266-N271 WeakPolarHBondContact OD1-CA 3.31Å; N266-G273 VanDerWaalsContact OD1-CA 3.26Å; N266-G273 WeakPolarHBondContact OD1-CA 3.39Å; N266-G273 PolarHBondContact OD1-N 3.38Å
267L92.4Very high96.8Very high150 Ų15029 Ų2979%0.78516%0.156SC*.G310 helixtrans-62.6-28.9176.3-64.6173.8000113.1C264 L265C264-L267 WeakPolarHBondContact O-CB 3.29Å; C264-L267 WeakPolarHBondContact O-CG 3.48Å; C264-L267 PolarHBondContact O-N 3.12Å; C264-L267 VanDerWaalsContact O-N 3.09Å; L265-L267 PolarHBondContact O-N 3.02Å; L265-L267 VanDerWaalsContact O-N 3.14Å
268L93.5Very high97Very high86 Ų8628 Ų2845%0.4515%0.151SC..G310 helixtrans-98.6-9179.3-58.7179000112.5S99 I241 L265 N266S99-L268 WeakPolarHBondContact CB-O 3.49Å; S99-L268 PolarHBondContact OG-O 3.37Å; I241-L268 HydrophobicContact CD1-CD1 4.29Å; L265-L268 PolarHBondContact O-N 3.28Å; N266-L268 PolarHBondContact O-N 3.3Å
269T95.9Very high97.1Very high1 Ų127.9 Ų27.91%0.00615%0.15CC..THydrogen-bonded Turntrans-126.624.3-165.854.40000112.5L102 I241 L265 N266 N271 V272 W309L102-T269 HydrophobicContact CD1-CG2 3.28Å; I241-T269 HydrophobicContact CG2-CG2 3.33Å; L265-T269 VanDerWaalsContact C-OG1 3.28Å; L265-T269 WeakPolarHBondContact O-CB 3.38Å; L265-T269 WeakPolarHBondContact O-CG2 3.18Å; L265-T269 PolarHBondContact O-N 3.24Å; L265-T269 PolarHBondContact O-OG1 3.01Å; N266-T269 WeakPolarHBondContact CA-OG1 3.33Å; N266-T269 PolarHBondContact N-OG1 3.09Å; N266-T269 PolarHBondContact O-N 3.32Å; T269-N271 PolarHBondContact O-N 3.21Å; T269-V272 WeakPolarHBondContact O-CB 3.14Å; T269-V272 PolarHBondContact O-N 3.41Å; T269-W309 HydrophobicContact CG2-CH2 4.16Å; T269-W309 HydrophobicContact CG2-CZ3 3.83Å
270F96.9Very high97.1Very high38 Ų3827.6 Ų27.617%0.16715%0.149CC..THydrogen-bonded Turntrans53.930.2176.7-58.4-87.3000113.6L59 I62 M66 S99 L102 A103 E106 N266 V272 G286L59-F270 HydrophobicContact CD1-CD1 3.94Å; L59-F270 HydrophobicContact CD1-CE1 3.71Å; L59-F270 HydrophobicContact CD1-CZ 4.45Å; I62-F270 HydrophobicContact CG2-CE1 3.83Å; I62-F270 HydrophobicContact CG2-CZ 3.95Å; M66-F270 HydrophobicContact SD-CE2 4.4Å; M66-F270 HydrophobicContact SD-CZ 3.85Å; S99-F270 WeakPolarHBondContact O-CE2 3.27Å; L102-F270 HydrophobicContact CB-CD2 4.22Å; A103-F270 HydrophobicContact CB-CD2 4.35Å; A103-F270 HydrophobicContact CB-CE2 3.66Å; A103-F270 HydrophobicContact CB-CZ 3.85Å; E106-F270 HydrophobicContact CG-CB 3.98Å; E106-F270 HydrophobicContact CG-CG 4.42Å; N266-F270 PolarHBondContact O-N 3.33Å; F270-V272 VanDerWaalsContact C-N 3.27Å; F270-V272 PolarHBondContact O-N 3.4Å; F270-G286 CarbonylContact O-C 3.58Å; F270-G286 WeakPolarHBondContact O-CA 3.39Å
271N98.1Very high97.1Very high33 Ų3327.5 Ų27.518%0.17615%0.148CC..THydrogen-bonded Turntrans58.727-173-57.8-38.3000115.2N266 T269 G273 Y274 G286N266-N271 PolarHBondContact O-N 3.11Å; N266-N271 VanDerWaalsContact O-N 3.07Å; N266-N271 WeakPolarHBondContact OD1-CA 3.31Å; T269-N271 PolarHBondContact O-N 3.21Å; N271-G273 PolarHBondContact O-N 3.36Å; N271-Y274 HydrophobicContact CB-CD2 3.81Å; N271-Y274 HydrophobicContact CB-CE2 4.3Å; N271-Y274 PolarHBondContact O-N 3.12Å; N271-G286 VanDerWaalsContact CB-O 3.3Å; N271-G286 WeakPolarHBondContact CB-O 3.34Å; N271-G286 PolarHBondContact ND2-O 3.01Å
272V96.9Very high97Very high4 Ų429 Ų292%0.02416%0.159CC..THydrogen-bonded Turntrans-54.7-28.1175.575.70000112.2L102 T269 F270 Y274 H275 W309L102-V272 HydrophobicContact CD1-CG1 3.8Å; L102-V272 HydrophobicContact CD2-CB 4.35Å; L102-V272 HydrophobicContact CD2-CG1 4.14Å; L102-V272 HydrophobicContact CD2-CG2 4.18Å; T269-V272 WeakPolarHBondContact O-CB 3.14Å; T269-V272 PolarHBondContact O-N 3.41Å; F270-V272 VanDerWaalsContact C-N 3.27Å; F270-V272 PolarHBondContact O-N 3.4Å; V272-Y274 PolarHBondContact O-N 3.33Å; V272-H275 PolarHBondContact O-N 3.41Å; V272-W309 HydrophobicContact CG1-CH2 3.89Å; V272-W309 HydrophobicContact CG1-CZ2 4.31Å
273G97.7Very high96.9Very high1 Ų128.8 Ų28.81%0.0116%0.164CC..THydrogen-bonded Turntrans-59.3-18.9175.300000114.2S260 Y261 N266 N271 H275S260-G273 CarbonylContact C-O 3.1Å; S260-G273 WeakPolarHBondContact CA-O 3.42Å; S260-G273 VanDerWaalsContact CB-O 3.29Å; S260-G273 WeakPolarHBondContact CB-O 3.48Å; Y261-G273 PolarHBondContact N-O 3.42Å; Y261-G273 CarbonylContact O-C 3.43Å; Y261-G273 VanDerWaalsContact O-C 3.25Å; Y261-G273 WeakPolarHBondContact O-CA 3.44Å; N266-G273 VanDerWaalsContact OD1-CA 3.26Å; N266-G273 WeakPolarHBondContact OD1-CA 3.39Å; N266-G273 PolarHBondContact OD1-N 3.38Å; N271-G273 PolarHBondContact O-N 3.36Å; G273-H275 PolarHBondContact O-N 3.23Å
274Y98.5Very high97Very high42 Ų4227.9 Ų27.917%0.16516%0.155CC..  trans-74.856.4167.1-72.1-104.4000110.2Y262 N271 V272 E277 H278 L289 P290 K293Y262-Y274 AromaticContact CD1-CD1 3.94Å; Y262-Y274 HydrophobicContact CD1-CD1 3.94Å; Y262-Y274 HydrophobicContact CD1-CD2 4.3Å; Y262-Y274 AromaticContact CD1-CE1 3.59Å; Y262-Y274 HydrophobicContact CD1-CE1 3.59Å; Y262-Y274 HydrophobicContact CD1-CE2 4.03Å; Y262-Y274 HydrophobicContact CD1-CG 4.26Å; Y262-Y274 AromaticContact CD1-CZ 3.65Å; Y262-Y274 AromaticContact CE1-CD1 3.42Å; Y262-Y274 HydrophobicContact CE1-CD1 3.42Å; Y262-Y274 VanDerWaalsContact CE1-CD1 3.42Å; Y262-Y274 HydrophobicContact CE1-CD2 4.43Å; Y262-Y274 AromaticContact CE1-CE1 3.43Å; Y262-Y274 HydrophobicContact CE1-CE1 3.43Å; Y262-Y274 VanDerWaalsContact CE1-CE1 3.43Å; Y262-Y274 HydrophobicContact CE1-CE2 4.48Å; Y262-Y274 AromaticContact CE1-CG 3.93Å; Y262-Y274 HydrophobicContact CE1-CG 3.93Å; N271-Y274 HydrophobicContact CB-CD2 3.81Å; N271-Y274 HydrophobicContact CB-CE2 4.3Å; N271-Y274 PolarHBondContact O-N 3.12Å; V272-Y274 PolarHBondContact O-N 3.33Å; Y274-E277 WeakPolarHBondContact CA-OE2 3.45Å; Y274-E277 HydrophobicContact CD1-CG 4.38Å; Y274-E277 WeakPolarHBondContact O-CB 3.47Å; Y274-E277 PolarHBondContact O-N 2.93Å; Y274-H278 WeakPolarHBondContact O-CB 3.34Å; Y274-H278 PolarHBondContact O-N 3.05Å; Y274-L289 HydrophobicContact CD1-CB 4.41Å; Y274-L289 HydrophobicContact CG-CB 4.04Å; Y274-P290 HydrophobicContact CD1-CG 4.45Å; Y274-P290 HydrophobicContact CD2-CG 4.32Å; Y274-P290 HydrophobicContact CE1-CB 3.94Å; Y274-P290 HydrophobicContact CE1-CG 4.02Å; Y274-P290 HydrophobicContact CE2-CG 3.83Å; Y274-K293 HydrophobicContact CD1-CB 4.42Å; Y274-K293 HydrophobicContact CE1-CB 4.31Å; Y274-K293 HydrophobicContact CE1-CD 4.11Å
275H98.4Very high97.1Very high3 Ų323.3 Ų23.31%0.01412%0.124CC..Hα-helixtrans-78.7-36.6-160.7-162.357.1000113.2E248 H249 Y259 S260 V272 G273 E277 H278 H279E248-H275 VanDerWaalsContact CB-CD2 3.43Å; E248-H275 WeakPolarHBondContact CB-CD2 3.39Å; E248-H275 WeakPolarHBondContact CB-NE2 3.22Å; E248-H275 HydrophobicContact CG-CB 4.26Å; E248-H275 VanDerWaalsContact CG-CD2 3.46Å; E248-H275 WeakPolarHBondContact CG-CD2 3.43Å; E248-H275 IonicContact OE2-CE1 3.09Å; E248-H275 IonicContact OE2-NE2 3.75Å; H249-H275 AromaticContact CD2-NE2 3.64Å; H249-H275 AromaticContact CE1-CD2 3.85Å; H249-H275 AromaticContact CE1-NE2 3.39Å; H249-H275 PolarHBondContact CE1-NE2 2.94Å; H249-H275 AromaticContact NE2-CD2 3.72Å; H249-H275 AromaticContact NE2-CE1 3.85Å; H249-H275 AromaticContact NE2-NE2 2.85Å; H249-H275 PolarHBondContact NE2-NE2 2.93Å; Y259-H275 WeakPolarHBondContact O-CB 3.37Å; S260-H275 PolarHBondContact OG-N 2.91Å; V272-H275 PolarHBondContact O-N 3.41Å; G273-H275 PolarHBondContact O-N 3.23Å; H275-E277 VanDerWaalsContact C-N 3.32Å; H275-E277 PolarHBondContact O-N 2.95Å; H275-H278 AromaticContact ND1-CD2 3.94Å; H275-H278 WeakPolarHBondContact O-CB 3.37Å; H275-H278 PolarHBondContact O-N 3.4Å; H275-H279 AromaticContact CD2-CD2 3.69Å; H275-H279 AromaticContact CD2-NE2 3.89Å; H275-H279 AromaticContact CE1-CD2 3.32Å; H275-H279 PolarHBondContact CE1-CD2 3.01Å; H275-H279 AromaticContact CE1-NE2 3.13Å; H275-H279 PolarHBondContact CE1-NE2 3.31Å; H275-H279 AromaticContact CG-CD2 3.96Å; H275-H279 AromaticContact ND1-CD2 3.73Å; H275-H279 AromaticContact NE2-CD2 3.24Å; H275-H279 PolarHBondContact NE2-CD2 2.76Å; H275-H279 AromaticContact NE2-NE2 2.99Å; H275-H279 PolarHBondContact NE2-NE2 3.08Å; H275-H279 PolarHBondContact O-CD2 3.36Å; H275-H279 PolarHBondContact O-N 3.5Å
276N98.5Very high97.1Very high5 Ų521.8 Ų21.83%0.02712%0.116CC..Hα-helixtrans-60.6-45.4169.7-84.3-74000110.8R38 T258 S260 H278 H279 D280 Y300 L303R38-N276 PolarHBondContact NH2-OD1 2.87Å; T258-N276 PolarHBondContact O-ND2 3.25Å; S260-N276 PolarHBondContact N-ND2 3.08Å; S260-N276 WeakPolarHBondContact OG-CB 3.32Å; S260-N276 PolarHBondContact OG-N 3.31Å; S260-N276 PolarHBondContact OG-ND2 3.38Å; N276-H278 VanDerWaalsContact C-N 3.3Å; N276-H278 PolarHBondContact O-N 2.62Å; N276-H279 PolarHBondContact O-N 2.83Å; N276-D280 WeakPolarHBondContact O-CB 3.32Å; N276-D280 PolarHBondContact O-N 3.06Å; N276-Y300 HydrophobicContact CB-CD1 4.18Å; N276-Y300 HydrophobicContact CB-CE1 4.24Å; N276-L303 HydrophobicContact CB-CD1 4.25Å
277E98.6Very high97.1Very high0 Ų027.2 Ų27.20%014%0.136CC..Hα-helixtrans-61.6-40.5177.3-60.584.7156.500111.4S260 Y262 Y274 H275 D280 F281 L289 V292 K293 Y300S260-E277 PolarHBondContact OG-OE2 3.33Å; Y262-E277 WeakPolarHBondContact CE1-OE1 3.42Å; Y262-E277 PolarHBondContact OH-OE1 2.97Å; Y262-E277 PolarHBondContact OH-OE2 3.09Å; Y274-E277 WeakPolarHBondContact CA-OE2 3.45Å; Y274-E277 HydrophobicContact CD1-CG 4.38Å; Y274-E277 WeakPolarHBondContact O-CB 3.47Å; Y274-E277 PolarHBondContact O-N 2.93Å; H275-E277 VanDerWaalsContact C-N 3.32Å; H275-E277 PolarHBondContact O-N 2.95Å; E277-D280 PolarHBondContact O-N 3.03Å; E277-F281 PolarHBondContact O-N 3.24Å; E277-L289 HydrophobicContact CB-CB 4.39Å; E277-L289 HydrophobicContact CB-CD2 4.2Å; E277-V292 HydrophobicContact CB-CB 4.34Å; E277-V292 HydrophobicContact CB-CG1 4.22Å; E277-V292 HydrophobicContact CG-CB 4.39Å; E277-V292 HydrophobicContact CG-CG1 4.27Å; E277-K293 HydrophobicContact CG-CB 4.27Å; E277-K293 WeakPolarHBondContact OE1-CB 3.35Å; E277-Y300 HydrophobicContact CB-CE1 4.35Å; E277-Y300 HydrophobicContact CG-CD1 3.98Å; E277-Y300 HydrophobicContact CG-CD2 4.36Å; E277-Y300 HydrophobicContact CG-CE1 3.71Å; E277-Y300 HydrophobicContact CG-CE2 4.11Å; E277-Y300 HydrophobicContact CG-CG 4.29Å
278H98.4Very high97.4Very high1 Ų123.2 Ų23.21%0.00511%0.11CC..Hα-helixtrans-63.2-49.4176.3177.253.9000112.1H105 H109 H148 Y274 H275 N276 D280 F281 P282 L289H105-H278 AromaticContact CE1-CD2 3.79Å; H105-H278 AromaticContact CE1-CE1 3.41Å; H105-H278 PolarHBondContact CE1-CE1 3.45Å; H105-H278 VanDerWaalsContact CE1-CE1 3.41Å; H105-H278 AromaticContact CE1-NE2 3.11Å; H105-H278 PolarHBondContact CE1-NE2 2.86Å; H105-H278 AromaticContact NE2-CD2 3.77Å; H105-H278 AromaticContact NE2-CE1 3.76Å; H105-H278 AromaticContact NE2-NE2 3.04Å; H105-H278 PolarHBondContact NE2-NE2 3.44Å; H109-H278 AromaticContact CD2-CE1 3.57Å; H109-H278 AromaticContact CE1-CE1 3.76Å; H109-H278 AromaticContact CE1-NE2 3.93Å; H109-H278 AromaticContact NE2-CE1 3.21Å; H109-H278 PolarHBondContact NE2-CE1 3.15Å; H109-H278 AromaticContact NE2-NE2 3.33Å; H109-H278 PolarHBondContact NE2-NE2 2.87Å; H148-H278 AromaticContact CE1-CD2 3.33Å; H148-H278 PolarHBondContact CE1-CD2 2.68Å; H148-H278 AromaticContact CE1-NE2 3.09Å; H148-H278 PolarHBondContact CE1-NE2 3.31Å; H148-H278 AromaticContact NE2-CD2 3.71Å; H148-H278 AromaticContact NE2-CE1 3.93Å; H148-H278 AromaticContact NE2-NE2 3.01Å; H148-H278 PolarHBondContact NE2-NE2 2.84Å; Y274-H278 WeakPolarHBondContact O-CB 3.34Å; Y274-H278 PolarHBondContact O-N 3.05Å; H275-H278 AromaticContact ND1-CD2 3.94Å; H275-H278 WeakPolarHBondContact O-CB 3.37Å; H275-H278 PolarHBondContact O-N 3.4Å; N276-H278 VanDerWaalsContact C-N 3.3Å; N276-H278 PolarHBondContact O-N 2.62Å; H278-D280 VanDerWaalsContact C-N 3.31Å; H278-D280 PolarHBondContact O-N 2.93Å; H278-F281 CarbonylContact O-C 3.49Å; H278-F281 PolarHBondContact O-N 2.96Å; H278-F281 VanDerWaalsContact O-N 3.15Å; H278-P282 WeakPolarHBondContact O-CA 3.49Å; H278-P282 VanDerWaalsContact O-CD 3.29Å; H278-P282 WeakPolarHBondContact O-CD 3.2Å; H278-L289 HydrophobicContact CB-CD1 3.78Å
279H98.1Very high97.7Very high4 Ų419.1 Ų19.12%0.0199%0.089CC..Hα-helixtrans-65.1-34.5177.6-88.8-102.4000113.1H35 H147 H148 H249 H275 N276 F281H35-H279 HydrophobicContact CB-CB 4.19Å; H35-H279 AromaticContact CD2-ND1 3.9Å; H35-H279 WeakPolarHBondContact CE1-CB 3.46Å; H35-H279 VanDerWaalsContact CG-CB 3.47Å; H35-H279 VanDerWaalsContact ND1-CB 3.31Å; H35-H279 WeakPolarHBondContact ND1-CB 3.35Å; H35-H279 AromaticContact NE2-CG 3.83Å; H35-H279 AromaticContact NE2-ND1 3.95Å; H147-H279 AromaticContact CD2-CE1 3.76Å; H147-H279 AromaticContact NE2-CE1 3.31Å; H147-H279 PolarHBondContact NE2-CE1 2.98Å; H147-H279 VanDerWaalsContact NE2-CE1 3.31Å; H147-H279 AromaticContact NE2-NE2 3.64Å; H148-H279 AromaticContact CE1-CD2 3.51Å; H148-H279 AromaticContact CE1-CE1 3.5Å; H148-H279 PolarHBondContact CE1-CE1 3.5Å; H148-H279 VanDerWaalsContact CE1-CE1 3.5Å; H148-H279 AromaticContact CE1-CG 3.75Å; H148-H279 AromaticContact CE1-ND1 3.75Å; H148-H279 AromaticContact CE1-NE2 3.29Å; H148-H279 PolarHBondContact CE1-NE2 3.44Å; H148-H279 VanDerWaalsContact CE1-NE2 3.29Å; H148-H279 AromaticContact ND1-CD2 3.84Å; H148-H279 AromaticContact ND1-CE1 3.34Å; H148-H279 PolarHBondContact ND1-CE1 3.17Å; H148-H279 VanDerWaalsContact ND1-CE1 3.34Å; H148-H279 AromaticContact ND1-CG 3.61Å; H148-H279 AromaticContact ND1-ND1 3.3Å; H148-H279 PolarHBondContact ND1-ND1 3.24Å; H148-H279 AromaticContact ND1-NE2 3.63Å; H249-H279 AromaticContact CE1-CE1 3.47Å; H249-H279 PolarHBondContact CE1-CE1 3.28Å; H249-H279 VanDerWaalsContact CE1-CE1 3.47Å; H249-H279 AromaticContact CE1-NE2 3.47Å; H249-H279 PolarHBondContact CE1-NE2 2.55Å; H249-H279 AromaticContact NE2-CE1 3.39Å; H249-H279 PolarHBondContact NE2-CE1 2.91Å; H249-H279 AromaticContact NE2-NE2 3.16Å; H249-H279 PolarHBondContact NE2-NE2 2.8Å; H249-H279 VanDerWaalsContact NE2-NE2 3.16Å; H275-H279 AromaticContact CD2-CD2 3.69Å; H275-H279 AromaticContact CD2-NE2 3.89Å; H275-H279 AromaticContact CE1-CD2 3.32Å; H275-H279 PolarHBondContact CE1-CD2 3.01Å; H275-H279 AromaticContact CE1-NE2 3.13Å; H275-H279 PolarHBondContact CE1-NE2 3.31Å; H275-H279 AromaticContact CG-CD2 3.96Å; H275-H279 AromaticContact ND1-CD2 3.73Å; H275-H279 AromaticContact NE2-CD2 3.24Å; H275-H279 PolarHBondContact NE2-CD2 2.76Å; H275-H279 AromaticContact NE2-NE2 2.99Å; H275-H279 PolarHBondContact NE2-NE2 3.08Å; H275-H279 PolarHBondContact O-CD2 3.36Å; H275-H279 PolarHBondContact O-N 3.5Å; N276-H279 PolarHBondContact O-N 2.83Å; H279-F281 VanDerWaalsContact C-N 3.35Å
280D98.3Very high97.8Very high0 Ų020.9 Ų20.90%010%0.101CC..Hα-helixtrans-67.3-39.9173.5-65-13.7000110.5H35 R38 R39 N276 E277 H278 Y300H35-D280 VanDerWaalsContact CA-OD1 3.24Å; H35-D280 WeakPolarHBondContact CA-OD1 3.46Å; H35-D280 VanDerWaalsContact CB-OD1 3.22Å; H35-D280 WeakPolarHBondContact CB-OD1 3.42Å; H35-D280 IonicContact CE1-OD1 3.1Å; H35-D280 IonicContact CG-OD1 3.91Å; H35-D280 IonicContact ND1-OD1 3.84Å; H35-D280 PolarHBondContact ND1-OD1 3.21Å; R38-D280 IonicContact CZ-OD1 3.82Å; R38-D280 IonicContact CZ-OD2 3.98Å; R38-D280 IonicContact NE-OD1 3.3Å; R38-D280 PolarHBondContact NE-OD1 3.23Å; R38-D280 IonicContact NE-OD2 2.71Å; R38-D280 PolarHBondContact NE-OD2 3.09Å; R38-D280 IonicContact NH2-OD1 2.87Å; R38-D280 PolarHBondContact NH2-OD1 2.71Å; R38-D280 IonicContact NH2-OD2 3.88Å; R38-D280 PolarHBondContact NH2-OD2 3.05Å; R38-D280 VanDerWaalsContact NH2-OD2 3.15Å; R39-D280 WeakPolarHBondContact CB-O 3.42Å; R39-D280 WeakPolarHBondContact CD-O 3.44Å; R39-D280 VanDerWaalsContact CG-O 3.26Å; R39-D280 WeakPolarHBondContact CG-O 3.43Å; N276-D280 WeakPolarHBondContact O-CB 3.32Å; N276-D280 PolarHBondContact O-N 3.06Å; E277-D280 PolarHBondContact O-N 3.03Å; H278-D280 VanDerWaalsContact C-N 3.31Å; H278-D280 PolarHBondContact O-N 2.93Å; D280-Y300 VanDerWaalsContact OD2-CE1 3.24Å; D280-Y300 WeakPolarHBondContact OD2-CE1 3.3Å; D280-Y300 PolarHBondContact OD2-OH 3.15Å
281F98.1Very high97.8Very high1 Ų122.9 Ų22.90%0.00411%0.113CC..  trans-133.866.9-173.5-59.7-79.8000114.1R39 I42 L43 I49 M53 E277 H278 H279 S283 I284 V292R39-F281 HydrophobicContact CG-CD1 4.02Å; R39-F281 HydrophobicContact CG-CE1 3.6Å; R39-F281 HydrophobicContact CG-CZ 4.03Å; I42-F281 HydrophobicContact CB-CE2 4.36Å; I42-F281 HydrophobicContact CB-CZ 3.9Å; I42-F281 HydrophobicContact CD1-CE2 4.02Å; I42-F281 HydrophobicContact CD1-CZ 4.41Å; I42-F281 HydrophobicContact CG2-CE2 3.91Å; I42-F281 HydrophobicContact CG2-CZ 3.51Å; L43-F281 HydrophobicContact CD1-CE1 4.26Å; L43-F281 HydrophobicContact CD2-CE1 3.76Å; L43-F281 HydrophobicContact CD2-CZ 4.45Å; L43-F281 HydrophobicContact CG-CE1 3.78Å; L43-F281 HydrophobicContact CG-CZ 4.32Å; I49-F281 HydrophobicContact CG2-CD1 4.08Å; I49-F281 HydrophobicContact CG2-CE1 3.84Å; I49-F281 HydrophobicContact CG2-CE2 4.44Å; I49-F281 HydrophobicContact CG2-CG 4.46Å; I49-F281 HydrophobicContact CG2-CZ 4.05Å; M53-F281 HydrophobicContact CE-CD1 3.68Å; M53-F281 HydrophobicContact CE-CE1 4.22Å; E277-F281 PolarHBondContact O-N 3.24Å; H278-F281 CarbonylContact O-C 3.49Å; H278-F281 PolarHBondContact O-N 2.96Å; H278-F281 VanDerWaalsContact O-N 3.15Å; H279-F281 VanDerWaalsContact C-N 3.35Å; F281-S283 PolarHBondContact O-N 3.43Å; F281-I284 HydrophobicContact CB-CB 4.26Å; F281-I284 HydrophobicContact CB-CD1 3.51Å; F281-I284 HydrophobicContact CB-CG1 3.85Å; F281-I284 HydrophobicContact CD1-CD1 4.17Å; F281-I284 HydrophobicContact CG-CD1 3.85Å; F281-I284 WeakPolarHBondContact O-CB 3.47Å; F281-I284 PolarHBondContact O-N 2.83Å; F281-V292 HydrophobicContact CD2-CG1 3.71Å; F281-V292 HydrophobicContact CE2-CG1 3.9Å
282P96.3Very high97.9Very high37 Ų3721.3 Ų21.324%0.2410%0.104CC..THydrogen-bonded Turntrans-68.7-8-173.826.1-35.5000113.7H109 H278H109-P282 WeakPolarHBondContact CB-O 3.45Å; H109-P282 PolarHBondContact ND1-O 2.91Å; H278-P282 WeakPolarHBondContact O-CA 3.49Å; H278-P282 VanDerWaalsContact O-CD 3.29Å; H278-P282 WeakPolarHBondContact O-CD 3.2Å
283S95.3Very high97.9Very high42 Ų4222.6 Ų22.629%0.29411%0.109SC..THydrogen-bonded Turntrans-89.4-4.3174.161.30000113.8M53 G54 F281M53-S283 WeakPolarHBondContact CG-OG 3.28Å; M53-S283 PolarHBondContact SD-OG 3.31Å; G54-S283 PolarHBondContact N-O 2.86Å; F281-S283 PolarHBondContact O-N 3.43Å
284I98.2Very high98Very high0 Ų030.5 Ų30.50%014%0.143CC..SBendtrans-93.5122.1174.6-63.6179.7000107.9I49 L52 M53 F281 R288 L289 V292I49-I284 HydrophobicContact CG2-CD1 3.73Å; L52-I284 HydrophobicContact CB-CD1 3.85Å; L52-I284 HydrophobicContact CB-CG1 4.11Å; L52-I284 HydrophobicContact CB-CG2 4.02Å; L52-I284 HydrophobicContact CD1-CD1 4.42Å; M53-I284 HydrophobicContact CB-CG1 4.47Å; M53-I284 HydrophobicContact CG-CD1 4.32Å; M53-I284 HydrophobicContact CG-CG1 3.71Å; F281-I284 HydrophobicContact CB-CB 4.26Å; F281-I284 HydrophobicContact CB-CD1 3.51Å; F281-I284 HydrophobicContact CB-CG1 3.85Å; F281-I284 HydrophobicContact CD1-CD1 4.17Å; F281-I284 HydrophobicContact CG-CD1 3.85Å; F281-I284 WeakPolarHBondContact O-CB 3.47Å; F281-I284 PolarHBondContact O-N 2.83Å; I284-R288 HydrophobicContact CG2-CB 3.64Å; I284-L289 HydrophobicContact CB-CD2 4.14Å; I284-L289 HydrophobicContact CG2-CD2 3.99Å; I284-V292 HydrophobicContact CD1-CG2 3.57Å; I284-V292 HydrophobicContact CG2-CG2 4.22Å
285P97.7Very high98Very high0 Ų030.9 Ų30.90%015%0.147CC..  trans-60.2146.6176.7-20.129.8000112G54 D56 T111 R287 R288 L289G54-P285 WeakPolarHBondContact O-CD 3.23Å; G54-P285 WeakPolarHBondContact O-CG 3.43Å; D56-P285 HydrophobicContact CB-CB 3.87Å; D56-P285 HydrophobicContact CB-CG 4.02Å; T111-P285 HydrophobicContact CG2-CB 4.24Å; T111-P285 HydrophobicContact CG2-CG 4.05Å; P285-R287 PolarHBondContact O-N 2.73Å; P285-R288 WeakPolarHBondContact O-CA 3.24Å; P285-R288 PolarHBondContact O-N 3.46Å; P285-L289 PolarHBondContact O-N 3.3Å
286G97.4Very high97.9Very high0 Ų030.8 Ų30.80%015%0.147CC..G310 helixtrans-49-39.9-178.100000114.2E106 F270 N271 R288 L289 P290E106-G286 PolarHBondContact OE2-N 3Å; F270-G286 CarbonylContact O-C 3.58Å; F270-G286 WeakPolarHBondContact O-CA 3.39Å; N271-G286 VanDerWaalsContact CB-O 3.3Å; N271-G286 WeakPolarHBondContact CB-O 3.34Å; N271-G286 PolarHBondContact ND2-O 3.01Å; G286-R288 PolarHBondContact O-N 3.2Å; G286-L289 WeakPolarHBondContact O-CB 3.13Å; G286-L289 PolarHBondContact O-N 2.86Å; G286-L289 VanDerWaalsContact O-N 3.08Å; G286-P290 WeakPolarHBondContact O-CD 3.22Å
287R97Very high97.9Very high123 Ų12332.6 Ų32.646%0.46416%0.159SC..G310 helixtrans-54.5-28.7175.3-177.4173.1174.2-122.9-11.7114R58 P285R58-R287 VanDerWaalsContact NH1-CZ 3.34Å; R58-R287 VanDerWaalsContact NH1-NH2 3.18Å; P285-R287 PolarHBondContact O-N 2.73Å
288R98.3Very high97.9Very high66 Ų6636.1 Ų36.125%0.24918%0.175CC..G310 helixtrans-99.7-9.8-178-63.3-178.8-170156.57.3113.4L52 P55 I284 P285 G286 P290 L291 V292L52-R288 HydrophobicContact CB-CB 4.5Å; L52-R288 VanDerWaalsContact O-CD 3.32Å; L52-R288 WeakPolarHBondContact O-CD 3.24Å; L52-R288 PolarHBondContact O-NH1 2.93Å; P55-R288 PolarHBondContact O-NH2 3.23Å; P55-R288 VanDerWaalsContact O-NH2 3.16Å; I284-R288 HydrophobicContact CG2-CB 3.64Å; P285-R288 WeakPolarHBondContact O-CA 3.24Å; P285-R288 PolarHBondContact O-N 3.46Å; G286-R288 PolarHBondContact O-N 3.2Å; R288-P290 VanDerWaalsContact C-CD 3.42Å; R288-P290 VanDerWaalsContact C-N 3.32Å; R288-L291 VanDerWaalsContact O-CB 3.29Å; R288-L291 WeakPolarHBondContact O-CB 3.29Å; R288-L291 PolarHBondContact O-N 3.13Å; R288-V292 PolarHBondContact O-N 3.01Å
289L98.4Very high97.8Very high0 Ų038.3 Ų38.30%018%0.184CC..Hα-helixtrans-57-34.7177-62.3177.3000114.4Y274 E277 H278 I284 P285 G286 L291 V292 K293Y274-L289 HydrophobicContact CD1-CB 4.41Å; Y274-L289 HydrophobicContact CG-CB 4.04Å; E277-L289 HydrophobicContact CB-CB 4.39Å; E277-L289 HydrophobicContact CB-CD2 4.2Å; H278-L289 HydrophobicContact CB-CD1 3.78Å; I284-L289 HydrophobicContact CB-CD2 4.14Å; I284-L289 HydrophobicContact CG2-CD2 3.99Å; P285-L289 PolarHBondContact O-N 3.3Å; G286-L289 WeakPolarHBondContact O-CB 3.13Å; G286-L289 PolarHBondContact O-N 2.86Å; G286-L289 VanDerWaalsContact O-N 3.08Å; L289-L291 PolarHBondContact O-N 3.37Å; L289-L291 VanDerWaalsContact O-N 3.15Å; L289-V292 HydrophobicContact CD2-CG2 4.45Å; L289-V292 WeakPolarHBondContact O-CB 3.12Å; L289-V292 PolarHBondContact O-N 3.22Å; L289-K293 PolarHBondContact O-N 3.41Å
290P98.3Very high97.9Very high39 Ų3938.1 Ų38.125%0.25318%0.183SC..Hα-helixtrans-57.9-29172.1-25.733.7000114.1Y274 G286 R288 K294Y274-P290 HydrophobicContact CD1-CG 4.45Å; Y274-P290 HydrophobicContact CD2-CG 4.32Å; Y274-P290 HydrophobicContact CE1-CB 3.94Å; Y274-P290 HydrophobicContact CE1-CG 4.02Å; Y274-P290 HydrophobicContact CE2-CG 3.83Å; G286-P290 WeakPolarHBondContact O-CD 3.22Å; R288-P290 VanDerWaalsContact C-CD 3.42Å; R288-P290 VanDerWaalsContact C-N 3.32Å; P290-K294 PolarHBondContact O-N 3.5Å
291L98.5Very high97.8Very high80 Ų8042.4 Ų42.442%0.41921%0.206SC..Hα-helixtrans-73.3-34.8175.8-61.3172.9000111.4L52 R288 L289 K294 M295L52-L291 HydrophobicContact CD1-CB 3.83Å; L52-L291 HydrophobicContact CD2-CB 4.36Å; L52-L291 HydrophobicContact CD2-CD1 3.82Å; R288-L291 VanDerWaalsContact O-CB 3.29Å; R288-L291 WeakPolarHBondContact O-CB 3.29Å; R288-L291 PolarHBondContact O-N 3.13Å; L289-L291 PolarHBondContact O-N 3.37Å; L289-L291 VanDerWaalsContact O-N 3.15Å; L291-K294 PolarHBondContact O-N 2.96Å; L291-M295 WeakPolarHBondContact O-CB 3.26Å; L291-M295 WeakPolarHBondContact O-CG 3.42Å; L291-M295 PolarHBondContact O-N 2.95Å
292V98.4Very high97.7Very high0 Ų049.6 Ų49.60%024%0.244CC..Hα-helixtrans-58.4-51174.7-179.50000110L52 E277 F281 I284 R288 L289 K294 M295 A296 Y300L52-V292 HydrophobicContact CD1-CG2 3.87Å; E277-V292 HydrophobicContact CB-CB 4.34Å; E277-V292 HydrophobicContact CB-CG1 4.22Å; E277-V292 HydrophobicContact CG-CB 4.39Å; E277-V292 HydrophobicContact CG-CG1 4.27Å; F281-V292 HydrophobicContact CD2-CG1 3.71Å; F281-V292 HydrophobicContact CE2-CG1 3.9Å; I284-V292 HydrophobicContact CD1-CG2 3.57Å; I284-V292 HydrophobicContact CG2-CG2 4.22Å; R288-V292 PolarHBondContact O-N 3.01Å; L289-V292 HydrophobicContact CD2-CG2 4.45Å; L289-V292 WeakPolarHBondContact O-CB 3.12Å; L289-V292 PolarHBondContact O-N 3.22Å; V292-K294 VanDerWaalsContact C-N 3.28Å; V292-K294 PolarHBondContact O-N 3.08Å; V292-M295 PolarHBondContact O-N 3.49Å; V292-A296 PolarHBondContact O-N 2.9Å; V292-Y300 HydrophobicContact CG1-CE2 3.96Å; V292-Y300 WeakPolarHBondContact CG1-OH 3.37Å
293K98.1Very high97.7Very high30 Ų3049.8 Ų49.813%0.1324%0.243CC..Hα-helixtrans-57.2-42175.6-170.6-179.7-179.1670112.2Y262 Y274 E277 L289 M295 A296 P297 Y300 N301Y262-K293 HydrophobicContact CD1-CD 4.42Å; Y262-K293 HydrophobicContact CE1-CD 3.69Å; Y262-K293 HydrophobicContact CE2-CD 4.29Å; Y262-K293 VanDerWaalsContact CZ-NZ 3.29Å; Y262-K293 PolarHBondContact OH-NZ 3.23Å; Y274-K293 HydrophobicContact CD1-CB 4.42Å; Y274-K293 HydrophobicContact CE1-CB 4.31Å; Y274-K293 HydrophobicContact CE1-CD 4.11Å; E277-K293 HydrophobicContact CG-CB 4.27Å; E277-K293 WeakPolarHBondContact OE1-CB 3.35Å; L289-K293 PolarHBondContact O-N 3.41Å; K293-M295 VanDerWaalsContact C-N 3.35Å; K293-A296 CarbonylContact O-C 3.56Å; K293-P297 VanDerWaalsContact O-CA 3.24Å; K293-P297 WeakPolarHBondContact O-CA 3.33Å; K293-Y300 HydrophobicContact CB-CD2 4.44Å; K293-Y300 HydrophobicContact CG-CD2 4.36Å; K293-Y300 HydrophobicContact CG-CG 4.49Å; K293-Y300 PolarHBondContact NZ-O 3.37Å; K293-N301 WeakPolarHBondContact CE-OD1 3.19Å; K293-N301 PolarHBondContact NZ-OD1 3.3Å
294K98.4Very high97.7Very high168 Ų16849.3 Ų49.373%0.7324%0.239SC*.Hα-helixtrans-67.2-34.1-179.9-174.4177.9177.7-178.50112.9P290 L291 V292P290-K294 PolarHBondContact O-N 3.5Å; L291-K294 PolarHBondContact O-N 2.96Å; V292-K294 VanDerWaalsContact C-N 3.28Å; V292-K294 PolarHBondContact O-N 3.08Å
295M98.4Very high97.7Very high50 Ų5053.5 Ų53.525%0.24626%0.259CS..Hα-helixtrans-80.7-32.1-177.3-69.5168.275.800112.6E48 I49 L52 L291 V292 K293 P297E48-M295 HydrophobicContact CB-CE 4.2Å; E48-M295 HydrophobicContact CG-CE 3.19Å; I49-M295 HydrophobicContact CB-CE 4.49Å; I49-M295 HydrophobicContact CD1-CB 4.24Å; I49-M295 HydrophobicContact CG1-CB 4.2Å; I49-M295 HydrophobicContact CG1-CE 3.6Å; I49-M295 HydrophobicContact CG1-SD 4Å; L52-M295 HydrophobicContact CD1-SD 3.81Å; L52-M295 HydrophobicContact CG-SD 4.49Å; L291-M295 WeakPolarHBondContact O-CB 3.26Å; L291-M295 WeakPolarHBondContact O-CG 3.42Å; L291-M295 PolarHBondContact O-N 2.95Å; V292-M295 PolarHBondContact O-N 3.49Å; K293-M295 VanDerWaalsContact C-N 3.35Å; M295-P297 WeakPolarHBondContact O-CD 3.21Å
296A98.1Very high97.7Very high0 Ų055.1 Ų55.10%027%0.265CS..SBendtrans-126.653.8-178.600000112.1I42 Y46 I49 V292 K293 E298 Y299 Y300I42-A296 HydrophobicContact CD1-CB 4.41Å; I42-A296 HydrophobicContact CG1-CB 4.36Å; I42-A296 HydrophobicContact CG2-CB 4.06Å; Y46-A296 HydrophobicContact CD2-CB 3.81Å; Y46-A296 HydrophobicContact CE2-CB 3.94Å; I49-A296 HydrophobicContact CD1-CB 4.33Å; V292-A296 PolarHBondContact O-N 2.9Å; K293-A296 CarbonylContact O-C 3.56Å; A296-E298 VanDerWaalsContact C-N 3.27Å; A296-E298 PolarHBondContact O-N 3.3Å; A296-Y299 HydrophobicContact CB-CD2 3.86Å; A296-Y299 PolarHBondContact O-N 3.28Å; A296-Y299 VanDerWaalsContact O-N 3.14Å; A296-Y300 HydrophobicContact CB-CE2 4.13Å; A296-Y300 WeakPolarHBondContact O-CD2 3.07Å
297P97.8Very high97.6Very high44 Ų4460 Ų6029%0.28630%0.295SS..G310 helixtrans-60.7-32.1-17025.2-34.9000113.9K293 M295 Y299 Y300 N301K293-P297 VanDerWaalsContact O-CA 3.24Å; K293-P297 WeakPolarHBondContact O-CA 3.33Å; M295-P297 WeakPolarHBondContact O-CD 3.21Å; P297-Y299 PolarHBondContact O-N 3.18Å; P297-Y300 PolarHBondContact O-N 2.79Å; P297-Y300 VanDerWaalsContact O-N 3.12Å; P297-N301 WeakPolarHBondContact CB-ND2 3.46Å; P297-N301 VanDerWaalsContact O-CB 3.28Å; P297-N301 WeakPolarHBondContact O-CB 3.24Å; P297-N301 PolarHBondContact O-N 2.71Å
298E97.8Very high97.6Very high74 Ų7456.2 Ų56.235%0.34629%0.288SS..G310 helixtrans-65.5-19.318071-85.7-152.400113.6K45 Y46 A296K45-E298 WeakPolarHBondContact CE-OE1 3.4Å; K45-E298 IonicContact NZ-OE1 2.66Å; K45-E298 PolarHBondContact NZ-OE1 3Å; Y46-E298 VanDerWaalsContact CE2-OE1 3.26Å; Y46-E298 WeakPolarHBondContact CE2-OE1 3.45Å; Y46-E298 PolarHBondContact OH-OE1 3.43Å; A296-E298 VanDerWaalsContact C-N 3.27Å; A296-E298 PolarHBondContact O-N 3.3Å
299Y97.9Very high97.5Very high46 Ų4653.1 Ų53.118%0.1828%0.276CS..G310 helixtrans-87.2-15.1176.7-68.2-89.2000112.9R38 E41 I42 K45 Y46 A296 P297 L303R38-Y299 HydrophobicContact CG-CD1 3.85Å; E41-Y299 HydrophobicContact CB-CE1 4.06Å; I42-Y299 HydrophobicContact CD1-CD1 4.12Å; I42-Y299 HydrophobicContact CD1-CD2 4.14Å; I42-Y299 HydrophobicContact CD1-CG 3.79Å; I42-Y299 HydrophobicContact CG1-CD1 3.76Å; I42-Y299 HydrophobicContact CG1-CD2 3.62Å; I42-Y299 HydrophobicContact CG1-CE1 3.87Å; I42-Y299 HydrophobicContact CG1-CE2 3.72Å; I42-Y299 HydrophobicContact CG1-CG 3.61Å; K45-Y299 HydrophobicContact CD-CE2 4.42Å; Y46-Y299 HydrophobicContact CE2-CE2 4.15Å; A296-Y299 HydrophobicContact CB-CD2 3.86Å; A296-Y299 PolarHBondContact O-N 3.28Å; A296-Y299 VanDerWaalsContact O-N 3.14Å; P297-Y299 PolarHBondContact O-N 3.18Å; Y299-L303 WeakPolarHBondContact O-CD1 2.98Å
300Y98.2Very high97.5Very high0 Ų056.8 Ų56.80%030%0.298CS..THydrogen-bonded Turntrans-126.7-22.7-170.5-56.4-69.9000114.8I42 N276 E277 D280 V292 K293 A296 P297 L303I42-Y300 HydrophobicContact CD1-CE2 4.15Å; I42-Y300 WeakPolarHBondContact CD1-OH 3.38Å; N276-Y300 HydrophobicContact CB-CD1 4.18Å; N276-Y300 HydrophobicContact CB-CE1 4.24Å; E277-Y300 HydrophobicContact CB-CE1 4.35Å; E277-Y300 HydrophobicContact CG-CD1 3.98Å; E277-Y300 HydrophobicContact CG-CD2 4.36Å; E277-Y300 HydrophobicContact CG-CE1 3.71Å; E277-Y300 HydrophobicContact CG-CE2 4.11Å; E277-Y300 HydrophobicContact CG-CG 4.29Å; D280-Y300 VanDerWaalsContact OD2-CE1 3.24Å; D280-Y300 WeakPolarHBondContact OD2-CE1 3.3Å; D280-Y300 PolarHBondContact OD2-OH 3.15Å; V292-Y300 HydrophobicContact CG1-CE2 3.96Å; V292-Y300 WeakPolarHBondContact CG1-OH 3.37Å; K293-Y300 HydrophobicContact CB-CD2 4.44Å; K293-Y300 HydrophobicContact CG-CD2 4.36Å; K293-Y300 HydrophobicContact CG-CG 4.49Å; K293-Y300 PolarHBondContact NZ-O 3.37Å; A296-Y300 HydrophobicContact CB-CE2 4.13Å; A296-Y300 WeakPolarHBondContact O-CD2 3.07Å; P297-Y300 PolarHBondContact O-N 2.79Å; P297-Y300 VanDerWaalsContact O-N 3.12Å; Y300-L303 HydrophobicContact CD1-CD1 4.28Å; Y300-L303 PolarHBondContact O-N 3.15Å
301N96.6Very high97.4Very high91 Ų9162.7 Ų62.749%0.48732%0.315SS..SBendtrans-74.1-27.7-173.7-75.7-8.8000113.5K293 P297K293-N301 WeakPolarHBondContact CE-OD1 3.19Å; K293-N301 PolarHBondContact NZ-OD1 3.3Å; P297-N301 WeakPolarHBondContact CB-ND2 3.46Å; P297-N301 VanDerWaalsContact O-CB 3.28Å; P297-N301 WeakPolarHBondContact O-CB 3.24Å; P297-N301 PolarHBondContact O-N 2.71Å
302D95.7Very high97.4Very high151 Ų15158.9 Ų58.981%0.80730%0.296SS*.SBendtrans-94.3-3.3178.7-60.8-40.3000112.6
303L96.9Very high97.3Very high41 Ų4159.5 Ų59.522%0.21530%0.299CS..SBendtrans-74.9142.9174.3-65.7-177.7000110.7N276 Y299 Y300 Q305N276-L303 HydrophobicContact CB-CD1 4.25Å; Y299-L303 WeakPolarHBondContact O-CD1 2.98Å; Y300-L303 HydrophobicContact CD1-CD1 4.28Å; Y300-L303 PolarHBondContact O-N 3.15Å; L303-Q305 PolarHBondContact O-N 2.92Å
304P96.3Very high97.3Very high32 Ų3264.7 Ų64.721%0.20832%0.319CS..  trans-56.6137.5170.9-24.634.6000111.8L253 H256 Y259L253-P304 HydrophobicContact CD2-CB 4.48Å; L253-P304 HydrophobicContact CD2-CG 3.75Å; H256-P304 HydrophobicContact CB-CG 4.49Å; H256-P304 WeakPolarHBondContact CE1-CD 3.49Å; H256-P304 WeakPolarHBondContact ND1-CD 3.15Å; Y259-P304 HydrophobicContact CD1-CB 3.72Å; Y259-P304 HydrophobicContact CE1-CB 3.63Å; Y259-P304 HydrophobicContact CE1-CG 4.38Å
305Q96.6Very high97.2Very high89 Ų8958.7 Ų58.742%0.41629%0.294SS..EExtended strand (participates in β ladder)trans-144.1155.8-174.860176.247.700111.7S260 Y262 L303S260-Q305 CarbonylContact O-C 3.45Å; S260-Q305 WeakPolarHBondContact O-CA 3.38Å; S260-Q305 WeakPolarHBondContact O-CB 3.33Å; Y262-Q305 HydrophobicContact CD2-CB 3.98Å; Y262-Q305 HydrophobicContact CD2-CG 4.3Å; Y262-Q305 HydrophobicContact CE2-CB 3.86Å; Y262-Q305 HydrophobicContact CE2-CG 4.39Å; L303-Q305 PolarHBondContact O-N 2.92Å
306Y97.5Very high97.2Very high33 Ų3356.3 Ų56.313%0.12928%0.283CS..EExtended strand (participates in β ladder)trans-105.9154175-61.2-71.7000112.1A247 F252 Y259 S260 Y261 Y262 V312A247-Y306 HydrophobicContact CB-CD2 3.77Å; A247-Y306 HydrophobicContact CB-CE2 3.86Å; A247-Y306 WeakPolarHBondContact O-CE2 3.38Å; F252-Y306 VanDerWaalsContact CB-OH 3.26Å; F252-Y306 WeakPolarHBondContact CB-OH 3.36Å; F252-Y306 HydrophobicContact CD1-CE1 4.38Å; F252-Y306 WeakPolarHBondContact CD2-OH 3.44Å; F252-Y306 WeakPolarHBondContact CG-OH 3.29Å; Y259-Y306 VanDerWaalsContact CB-CE2 3.44Å; Y259-Y306 AromaticContact CD1-CE2 3.79Å; Y259-Y306 HydrophobicContact CD1-CE2 3.79Å; Y259-Y306 HydrophobicContact CD2-CE2 4.25Å; Y259-Y306 HydrophobicContact CG-CD2 4.36Å; Y259-Y306 AromaticContact CG-CE2 3.57Å; Y259-Y306 HydrophobicContact CG-CE2 3.57Å; S260-Y306 PolarHBondContact O-N 2.93Å; Y261-Y306 WeakPolarHBondContact CA-O 3.27Å; Y262-Y306 PolarHBondContact N-O 2.8Å; Y306-V312 HydrophobicContact CD1-CG2 3.39Å; Y306-V312 HydrophobicContact CD2-CG2 4.11Å; Y306-V312 HydrophobicContact CE1-CG2 3.6Å; Y306-V312 HydrophobicContact CE2-CG2 4.28Å; Y306-V312 HydrophobicContact CG-CG2 3.65Å
307T95.3Very high97.1Very high102 Ų10257.2 Ų57.263%0.62629%0.287SS*.SBendtrans-121.1-8.9171.356.80000112.8Y261Y261-T307 VanDerWaalsContact CE2-O 3.32Å; Y261-T307 WeakPolarHBondContact CE2-O 3.1Å
308S97Very high97.1Very high45 Ų4558.9 Ų58.932%0.31529%0.292SS..  trans-146.4114.5178.1177.10000112V310 R311 V312S308-V310 VanDerWaalsContact C-N 3.33Å; S308-R311 WeakPolarHBondContact O-CB 3.33Å; S308-R311 PolarHBondContact O-N 3.13Å; S308-R311 PolarHBondContact OG-N 3.24Å; S308-V312 PolarHBondContact O-N 3.14Å
309W97.5Very high96.9Very high1 Ų158.5 Ų58.50%0.00429%0.292CS..Hα-helixtrans-69.7-28.3172.3-74.7-29.9000113.3P240 I241 H244 Y261 L265 T269 V272 R311 V312 L313P240-W309 WeakPolarHBondContact O-CB 3.17Å; I241-W309 HydrophobicContact CG2-CE3 4.17Å; I241-W309 HydrophobicContact CG2-CZ3 3.83Å; H244-W309 HydrophobicContact CB-CD2 3.89Å; H244-W309 VanDerWaalsContact CB-CE2 3.42Å; H244-W309 HydrophobicContact CB-CE3 4.2Å; H244-W309 HydrophobicContact CB-CH2 3.75Å; H244-W309 HydrophobicContact CB-CZ2 3.36Å; H244-W309 HydrophobicContact CB-CZ3 4.16Å; Y261-W309 VanDerWaalsContact CB-NE1 3.31Å; Y261-W309 HydrophobicContact CD1-CD2 4.06Å; Y261-W309 AromaticContact CD1-CE2 3.48Å; Y261-W309 VanDerWaalsContact CD1-CE2 3.48Å; Y261-W309 HydrophobicContact CD1-CE3 4.49Å; Y261-W309 AromaticContact CD1-CH2 3.89Å; Y261-W309 HydrophobicContact CD1-CH2 3.89Å; Y261-W309 AromaticContact CD1-CZ2 3.4Å; Y261-W309 HydrophobicContact CD1-CZ2 3.4Å; Y261-W309 HydrophobicContact CD1-CZ3 4.41Å; Y261-W309 AromaticContact CD1-NE1 3.92Å; Y261-W309 AromaticContact CD2-CD1 3.72Å; Y261-W309 HydrophobicContact CD2-CD2 4.2Å; Y261-W309 AromaticContact CD2-CE2 3.94Å; Y261-W309 HydrophobicContact CD2-CG 4.06Å; Y261-W309 AromaticContact CD2-NE1 3.64Å; Y261-W309 HydrophobicContact CE1-CD2 4.14Å; Y261-W309 HydrophobicContact CE1-CE3 4.25Å; Y261-W309 HydrophobicContact CE1-CH2 4.14Å; Y261-W309 HydrophobicContact CE1-CZ2 4.04Å; Y261-W309 HydrophobicContact CE1-CZ3 4.23Å; Y261-W309 HydrophobicContact CE2-CD2 4.25Å; Y261-W309 HydrophobicContact CE2-CG 4.13Å; Y261-W309 AromaticContact CG-CD1 3.94Å; Y261-W309 HydrophobicContact CG-CD2 4.1Å; Y261-W309 AromaticContact CG-CE2 3.44Å; Y261-W309 VanDerWaalsContact CG-CE2 3.44Å; Y261-W309 HydrophobicContact CG-CG 4.37Å; Y261-W309 AromaticContact CG-CZ2 3.76Å; Y261-W309 HydrophobicContact CG-CZ2 3.76Å; Y261-W309 AromaticContact CG-NE1 3.35Å; Y261-W309 VanDerWaalsContact CG-NE1 3.35Å; L265-W309 HydrophobicContact CB-CE3 3.77Å; L265-W309 HydrophobicContact CB-CZ3 3.65Å; L265-W309 HydrophobicContact CD1-CB 4.33Å; L265-W309 HydrophobicContact CD1-CD2 4.4Å; L265-W309 HydrophobicContact CD1-CE3 3.6Å; L265-W309 HydrophobicContact CD1-CZ3 4.32Å; L265-W309 HydrophobicContact CG-CE3 4.33Å; T269-W309 HydrophobicContact CG2-CH2 4.16Å; T269-W309 HydrophobicContact CG2-CZ3 3.83Å; V272-W309 HydrophobicContact CG1-CH2 3.89Å; V272-W309 HydrophobicContact CG1-CZ2 4.31Å; W309-R311 VanDerWaalsContact C-N 3.26Å; W309-R311 PolarHBondContact O-N 3.25Å; W309-V312 WeakPolarHBondContact O-CB 3.29Å; W309-V312 PolarHBondContact O-N 3.22Å; W309-V312 VanDerWaalsContact O-N 3.17Å; W309-L313 WeakPolarHBondContact O-CG 3.5Å; W309-L313 PolarHBondContact O-N 2.99Å
310V97.2Very high96.7Very high77 Ų7759.2 Ų59.247%0.46730%0.3SS..Hα-helixtrans-60.5-41.8170.7176.90000110.4P240 S308 L313 Y314P240-V310 HydrophobicContact CB-CG2 3.62Å; P240-V310 HydrophobicContact CG-CG2 4.26Å; S308-V310 VanDerWaalsContact C-N 3.33Å; V310-L313 PolarHBondContact O-N 3.49Å; V310-Y314 PolarHBondContact O-N 3.15Å
311R97.3Very high96.4Very high162 Ų16263.2 Ų63.261%0.61132%0.324SS*.Hα-helixtrans-65.7-39.4175.7-177.6173.5177.1-165.84.1111.6S308 W309 L313 Y314 D315S308-R311 WeakPolarHBondContact O-CB 3.33Å; S308-R311 PolarHBondContact O-N 3.13Å; S308-R311 PolarHBondContact OG-N 3.24Å; W309-R311 VanDerWaalsContact C-N 3.26Å; W309-R311 PolarHBondContact O-N 3.25Å; R311-L313 VanDerWaalsContact C-N 3.33Å; R311-L313 PolarHBondContact O-N 3.12Å; R311-Y314 PolarHBondContact O-N 3.23Å; R311-D315 VanDerWaalsContact CG-OD2 3.3Å; R311-D315 WeakPolarHBondContact CG-OD2 3.24Å; R311-D315 IonicContact CZ-OD2 2.68Å; R311-D315 IonicContact NE-OD1 3.63Å; R311-D315 IonicContact NE-OD2 3.84Å; R311-D315 PolarHBondContact NE-OD2 2.8Å; R311-D315 VanDerWaalsContact NE-OD2 3.1Å; R311-D315 IonicContact NH2-OD2 3.07Å; R311-D315 WeakPolarHBondContact O-CB 3.44Å; R311-D315 VanDerWaalsContact O-CG 3.3Å; R311-D315 PolarHBondContact O-N 3.47Å
312V97.5Very high96.3Very high1 Ų159.1 Ų59.11%0.00630%0.302CS..Hα-helixtrans-57.4-46.9174.3174.30000111.3I246 A247 F252 Y306 S308 W309 Y314 D315 F316I246-V312 HydrophobicContact CB-CG1 4.03Å; I246-V312 HydrophobicContact CG2-CG1 3.69Å; A247-V312 HydrophobicContact CB-CB 4.45Å; A247-V312 HydrophobicContact CB-CG1 3.96Å; A247-V312 HydrophobicContact CB-CG2 4.02Å; F252-V312 HydrophobicContact CE1-CG1 4.43Å; F252-V312 HydrophobicContact CE2-CG1 4.31Å; F252-V312 HydrophobicContact CZ-CG1 3.76Å; Y306-V312 HydrophobicContact CD1-CG2 3.39Å; Y306-V312 HydrophobicContact CD2-CG2 4.11Å; Y306-V312 HydrophobicContact CE1-CG2 3.6Å; Y306-V312 HydrophobicContact CE2-CG2 4.28Å; Y306-V312 HydrophobicContact CG-CG2 3.65Å; S308-V312 PolarHBondContact O-N 3.14Å; W309-V312 WeakPolarHBondContact O-CB 3.29Å; W309-V312 PolarHBondContact O-N 3.22Å; W309-V312 VanDerWaalsContact O-N 3.17Å; V312-Y314 PolarHBondContact O-N 3.27Å; V312-D315 PolarHBondContact O-N 2.95Å; V312-F316 VanDerWaalsContact O-CB 3.27Å; V312-F316 WeakPolarHBondContact O-CB 3.46Å; V312-F316 PolarHBondContact O-N 3.06Å
313L97.5Very high96.3Very high13 Ų1352 Ų527%0.06826%0.264CS..Hα-helixtrans-60.1-46.4176.5-67.5172.9000111.7I179 H239 I246 W309 V310 R311 I317I179-L313 HydrophobicContact CD1-CD2 4Å; I179-L313 HydrophobicContact CG1-CD2 4.45Å; I179-L313 HydrophobicContact CG2-CD2 4.24Å; H239-L313 WeakPolarHBondContact O-CD1 3.44Å; I246-L313 HydrophobicContact CD1-CD2 3.89Å; W309-L313 WeakPolarHBondContact O-CG 3.5Å; W309-L313 PolarHBondContact O-N 2.99Å; V310-L313 PolarHBondContact O-N 3.49Å; R311-L313 VanDerWaalsContact C-N 3.33Å; R311-L313 PolarHBondContact O-N 3.12Å; L313-I317 WeakPolarHBondContact O-CD1 3.28Å; L313-I317 VanDerWaalsContact O-CG1 3.29Å; L313-I317 WeakPolarHBondContact O-CG1 3.5Å; L313-I317 PolarHBondContact O-N 3.18Å; L313-I317 VanDerWaalsContact O-N 3.09Å
314Y97.8Very high96.2Very high139 Ų13950 Ų5055%0.54525%0.254SS..Hα-helixtrans-61.7-51.2178.6178.2-90.2000111.9V310 R311 V312 F316 I317 M318V310-Y314 PolarHBondContact O-N 3.15Å; R311-Y314 PolarHBondContact O-N 3.23Å; V312-Y314 PolarHBondContact O-N 3.27Å; Y314-F316 VanDerWaalsContact C-N 3.34Å; Y314-F316 PolarHBondContact O-N 2.93Å; Y314-I317 PolarHBondContact O-N 3.18Å; Y314-I317 VanDerWaalsContact O-N 3.15Å; Y314-M318 HydrophobicContact CD1-CG 4.31Å; Y314-M318 HydrophobicContact CD2-CG 4.08Å; Y314-M318 HydrophobicContact CE1-CB 4.15Å; Y314-M318 HydrophobicContact CE1-CG 3.96Å; Y314-M318 HydrophobicContact CE2-CE 4.04Å; Y314-M318 HydrophobicContact CE2-CG 3.73Å; Y314-M318 HydrophobicContact CG-CG 4.36Å; Y314-M318 WeakPolarHBondContact O-CB 3.37Å; Y314-M318 WeakPolarHBondContact O-CG 3.42Å; Y314-M318 PolarHBondContact O-N 3.09Å
315D97.3Very high96.2Very high41 Ų4149.2 Ų49.222%0.21925%0.247CC..Hα-helixtrans-62.7-42.2-179.2-70.6-12.4000109.8F252 R311 V312 I317 M318 D319F252-D315 HydrophobicContact CE1-CB 3.94Å; R311-D315 VanDerWaalsContact CG-OD2 3.3Å; R311-D315 WeakPolarHBondContact CG-OD2 3.24Å; R311-D315 IonicContact CZ-OD2 2.68Å; R311-D315 IonicContact NE-OD1 3.63Å; R311-D315 IonicContact NE-OD2 3.84Å; R311-D315 PolarHBondContact NE-OD2 2.8Å; R311-D315 VanDerWaalsContact NE-OD2 3.1Å; R311-D315 IonicContact NH2-OD2 3.07Å; R311-D315 WeakPolarHBondContact O-CB 3.44Å; R311-D315 VanDerWaalsContact O-CG 3.3Å; R311-D315 PolarHBondContact O-N 3.47Å; V312-D315 PolarHBondContact O-N 2.95Å; D315-I317 VanDerWaalsContact C-N 3.31Å; D315-I317 PolarHBondContact O-N 3.2Å; D315-M318 PolarHBondContact O-N 2.98Å; D315-D319 WeakPolarHBondContact O-CB 3.24Å; D315-D319 PolarHBondContact O-N 3.14Å
316F96.9Very high96.2Very high0 Ų045 Ų450%023%0.227CC..Hα-helixtrans-57.6-41.6174.3-174-98.9000112.4K175 W178 I179 I246 Y250 F252 V312 Y314 L322 P324K175-F316 HydrophobicContact CB-CD1 4.36Å; K175-F316 HydrophobicContact CB-CE1 4.12Å; K175-F316 HydrophobicContact CD-CD1 4.36Å; K175-F316 HydrophobicContact CD-CE1 4.1Å; K175-F316 HydrophobicContact CD-CZ 4.47Å; K175-F316 VanDerWaalsContact CD-O 3.28Å; K175-F316 WeakPolarHBondContact CD-O 3.45Å; K175-F316 WeakPolarHBondContact CE-O 3.29Å; K175-F316 HydrophobicContact CG-CE1 4.12Å; K175-F316 PolarHBondContact NZ-O 2.79Å; W178-F316 AromaticContact CE3-CE1 3.74Å; W178-F316 HydrophobicContact CE3-CE1 3.74Å; W178-F316 HydrophobicContact CE3-CZ 4.11Å; W178-F316 AromaticContact CZ3-CE1 3.88Å; W178-F316 HydrophobicContact CZ3-CE1 3.88Å; W178-F316 AromaticContact CZ3-CZ 3.96Å; W178-F316 HydrophobicContact CZ3-CZ 3.96Å; I179-F316 HydrophobicContact CD1-CD1 3.96Å; I179-F316 HydrophobicContact CG1-CD1 4.46Å; I246-F316 HydrophobicContact CD1-CB 4.26Å; I246-F316 HydrophobicContact CD1-CD1 3.8Å; I246-F316 HydrophobicContact CD1-CD2 4.4Å; I246-F316 HydrophobicContact CD1-CE1 4.22Å; I246-F316 HydrophobicContact CD1-CG 3.89Å; I246-F316 HydrophobicContact CG2-CB 4.15Å; I246-F316 HydrophobicContact CG2-CD2 3.69Å; I246-F316 HydrophobicContact CG2-CE2 4.32Å; I246-F316 HydrophobicContact CG2-CG 4.01Å; Y250-F316 HydrophobicContact CD1-CD2 4.47Å; Y250-F316 AromaticContact CD1-CE2 3.72Å; Y250-F316 HydrophobicContact CD1-CE2 3.72Å; Y250-F316 AromaticContact CE1-CE2 3.91Å; Y250-F316 HydrophobicContact CE1-CE2 3.91Å; Y250-F316 HydrophobicContact CE1-CZ 4.25Å; Y250-F316 HydrophobicContact CG-CE2 4.49Å; F252-F316 HydrophobicContact CE2-CD2 4.4Å; F252-F316 HydrophobicContact CZ-CB 4.04Å; F252-F316 HydrophobicContact CZ-CD2 4.36Å; V312-F316 VanDerWaalsContact O-CB 3.27Å; V312-F316 WeakPolarHBondContact O-CB 3.46Å; V312-F316 PolarHBondContact O-N 3.06Å; Y314-F316 VanDerWaalsContact C-N 3.34Å; Y314-F316 PolarHBondContact O-N 2.93Å; F316-L322 HydrophobicContact CD2-CB 4.29Å; F316-P324 HydrophobicContact CZ-CG 4.36Å
317I97Very high96.2Very high19 Ų1943.6 Ų43.610%0.09722%0.221CC..Hα-helixtrans-72-45.6179.2-68.2162000111.1R172 K175 F176 I179 L313 Y314 D315R172-I317 WeakPolarHBondContact CA-O 3.39Å; R172-I317 HydrophobicContact CB-CG2 4.47Å; R172-I317 WeakPolarHBondContact CB-O 3.47Å; R172-I317 WeakPolarHBondContact CG-O 3.1Å; K175-I317 WeakPolarHBondContact CE-O 3.36Å; K175-I317 PolarHBondContact NZ-O 3.38Å; F176-I317 HydrophobicContact CB-CD1 4.36Å; F176-I317 HydrophobicContact CB-CG1 4.45Å; F176-I317 HydrophobicContact CB-CG2 4.31Å; F176-I317 HydrophobicContact CD2-CD1 3.93Å; I179-I317 HydrophobicContact CD1-CD1 3.69Å; I179-I317 HydrophobicContact CD1-CG1 3.58Å; L313-I317 WeakPolarHBondContact O-CD1 3.28Å; L313-I317 VanDerWaalsContact O-CG1 3.29Å; L313-I317 WeakPolarHBondContact O-CG1 3.5Å; L313-I317 PolarHBondContact O-N 3.18Å; L313-I317 VanDerWaalsContact O-N 3.09Å; Y314-I317 PolarHBondContact O-N 3.18Å; Y314-I317 VanDerWaalsContact O-N 3.15Å; D315-I317 VanDerWaalsContact C-N 3.31Å; D315-I317 PolarHBondContact O-N 3.2Å
318M97.1Very high96.2Very high80 Ų8039.2 Ų39.239%0.39419%0.194SC..Hα-helixtrans-90.8-24.9-165.5-65.3-61.6-177.400114.3R172 Y314 D315 D320R172-M318 PolarHBondContact NE-O 3.14Å; Y314-M318 HydrophobicContact CD1-CG 4.31Å; Y314-M318 HydrophobicContact CD2-CG 4.08Å; Y314-M318 HydrophobicContact CE1-CB 4.15Å; Y314-M318 HydrophobicContact CE1-CG 3.96Å; Y314-M318 HydrophobicContact CE2-CE 4.04Å; Y314-M318 HydrophobicContact CE2-CG 3.73Å; Y314-M318 HydrophobicContact CG-CG 4.36Å; Y314-M318 WeakPolarHBondContact O-CB 3.37Å; Y314-M318 WeakPolarHBondContact O-CG 3.42Å; Y314-M318 PolarHBondContact O-N 3.09Å; D315-M318 PolarHBondContact O-N 2.98Å; M318-D320 PolarHBondContact O-N 3.01Å
319D94.9Very high96.1Very high65 Ų6538.1 Ų38.135%0.34818%0.184SC..  trans-82113177.8-170.8-25.1000110.4K175 D315 T321 L322K175-D319 PolarHBondContact NZ-O 2.97Å; D315-D319 WeakPolarHBondContact O-CB 3.24Å; D315-D319 PolarHBondContact O-N 3.14Å; D319-T321 VanDerWaalsContact CG-OG1 3.24Å; D319-T321 PolarHBondContact O-N 2.94Å; D319-T321 WeakPolarHBondContact OD1-CA 3.36Å; D319-T321 VanDerWaalsContact OD1-CB 3.29Å; D319-T321 WeakPolarHBondContact OD1-CB 3.32Å; D319-T321 WeakPolarHBondContact OD1-CG2 3.26Å; D319-T321 PolarHBondContact OD1-N 3.5Å; D319-T321 PolarHBondContact OD1-OG1 2.92Å; D319-T321 PolarHBondContact OD2-OG1 3.13Å; D319-L322 HydrophobicContact CB-CB 4.46Å; D319-L322 HydrophobicContact CB-CD1 3.95Å; D319-L322 HydrophobicContact CB-CG 4.04Å; D319-L322 PolarHBondContact O-N 3.38Å; D319-L322 VanDerWaalsContact O-N 3.11Å
320D92.4Very high96Very high62 Ų6238.5 Ų38.533%0.33219%0.185SC..THydrogen-bonded Turntrans-70.7-9.4-178.3-59.7-40.1000113.2G22 R172 M318 L322G22-D320 VanDerWaalsContact CA-O 3.24Å; G22-D320 WeakPolarHBondContact CA-O 3.44Å; G22-D320 PolarHBondContact N-O 2.77Å; R172-D320 WeakPolarHBondContact CG-OD1 3.38Å; R172-D320 IonicContact CZ-OD1 2.85Å; R172-D320 IonicContact CZ-OD2 3.6Å; R172-D320 IonicContact NE-OD1 2.68Å; R172-D320 PolarHBondContact NE-OD1 3.36Å; R172-D320 IonicContact NE-OD2 2.68Å; R172-D320 PolarHBondContact NE-OD2 3.19Å; R172-D320 IonicContact NH2-OD1 3.98Å; R172-D320 IonicContact NH2-OD2 3.2Å; R172-D320 PolarHBondContact NH2-OD2 3.4Å; M318-D320 PolarHBondContact O-N 3.01Å; D320-L322 VanDerWaalsContact C-N 3.33Å
321T91.6Very high95.8Very high83 Ų8341.6 Ų41.651%0.50919%0.192SC..THydrogen-bonded Turntrans-82-13172.273.70000113.1D319D319-T321 VanDerWaalsContact CG-OG1 3.24Å; D319-T321 PolarHBondContact O-N 2.94Å; D319-T321 WeakPolarHBondContact OD1-CA 3.36Å; D319-T321 VanDerWaalsContact OD1-CB 3.29Å; D319-T321 WeakPolarHBondContact OD1-CB 3.32Å; D319-T321 WeakPolarHBondContact OD1-CG2 3.26Å; D319-T321 PolarHBondContact OD1-N 3.5Å; D319-T321 PolarHBondContact OD1-OG1 2.92Å; D319-T321 PolarHBondContact OD2-OG1 3.13Å
322L94.9Very high95.4Very high5 Ų536.5 Ų36.53%0.02618%0.177CC..  trans-101.7138.7178.4-59.1178.7000111.7K175 F252 F316 D319 D320 S326K175-L322 VanDerWaalsContact CD-O 3.31Å; K175-L322 WeakPolarHBondContact CD-O 3.35Å; K175-L322 PolarHBondContact NZ-O 3.29Å; F252-L322 HydrophobicContact CD1-CD1 3.52Å; F252-L322 HydrophobicContact CD2-CD1 4.26Å; F252-L322 HydrophobicContact CD2-CD2 4.37Å; F252-L322 HydrophobicContact CE1-CD1 3.33Å; F252-L322 HydrophobicContact CE2-CD1 4.09Å; F252-L322 HydrophobicContact CG-CD1 4.01Å; F252-L322 HydrophobicContact CG-CD2 4.26Å; F252-L322 HydrophobicContact CZ-CD1 3.65Å; F316-L322 HydrophobicContact CD2-CB 4.29Å; D319-L322 HydrophobicContact CB-CB 4.46Å; D319-L322 HydrophobicContact CB-CD1 3.95Å; D319-L322 HydrophobicContact CB-CG 4.04Å; D319-L322 PolarHBondContact O-N 3.38Å; D319-L322 VanDerWaalsContact O-N 3.11Å; D320-L322 VanDerWaalsContact C-N 3.33Å; L322-S326 WeakPolarHBondContact CA-OG 3.49Å
323S95.4Very high94.6Very high1 Ų143.8 Ų43.81%0.00721%0.208CC..SBendtrans-155.9179.4174.772.80000110.1Y325 S326S323-Y325 PolarHBondContact O-N 3.33Å; S323-Y325 VanDerWaalsContact O-N 3.11Å; S323-Y325 WeakPolarHBondContact OG-CB 3.16Å; S323-Y325 PolarHBondContact OG-N 3.05Å; S323-S326 PolarHBondContact N-OG 2.81Å; S323-S326 VanDerWaalsContact N-OG 3.17Å; S323-S326 VanDerWaalsContact O-CB 3.27Å; S323-S326 WeakPolarHBondContact O-CB 3.49Å; S323-S326 PolarHBondContact O-N 3.16Å; S323-S326 PolarHBondContact O-OG 2.66Å
324P96.1Very high93.8Very high0 Ų046.5 Ų46.50%024%0.24CC..THydrogen-bonded Turntrans-60.6-17.5172.6-21.533.2000114.1P161 E165 F169 W178 F316 S326P161-P324 HydrophobicContact CB-CB 3.82Å; P161-P324 HydrophobicContact CG-CB 3.85Å; E165-P324 HydrophobicContact CB-CB 4.46Å; E165-P324 WeakPolarHBondContact O-CG 3.4Å; F169-P324 HydrophobicContact CB-CG 4.04Å; F169-P324 WeakPolarHBondContact O-CD 3.11Å; W178-P324 HydrophobicContact CD2-CG 4.24Å; W178-P324 HydrophobicContact CG-CG 4.48Å; F316-P324 HydrophobicContact CZ-CG 4.36Å; P324-S326 VanDerWaalsContact C-N 3.28Å; P324-S326 PolarHBondContact O-N 2.87Å
325Y96.4Very high92.9Very high15 Ų1547.8 Ų47.86%0.05925%0.251CS..THydrogen-bonded Turntrans-75-9.2170.1-73.6-57.5000114.5R23 E24 Y26 D163 G166 W167 S323 R327R23-Y325 VanDerWaalsContact O-CD2 3.29Å; R23-Y325 WeakPolarHBondContact O-CD2 3.42Å; E24-Y325 WeakPolarHBondContact O-CE2 3.48Å; Y26-Y325 AromaticContact CD1-CD1 3.87Å; Y26-Y325 HydrophobicContact CD1-CD1 3.87Å; Y26-Y325 HydrophobicContact CD2-CD1 4.02Å; Y26-Y325 HydrophobicContact CD2-CE1 4.22Å; Y26-Y325 AromaticContact CE1-CD1 3.71Å; Y26-Y325 HydrophobicContact CE1-CD1 3.71Å; Y26-Y325 HydrophobicContact CE1-CE1 4.29Å; Y26-Y325 AromaticContact CE2-CD1 3.86Å; Y26-Y325 HydrophobicContact CE2-CD1 3.86Å; Y26-Y325 AromaticContact CE2-CE1 3.76Å; Y26-Y325 HydrophobicContact CE2-CE1 3.76Å; Y26-Y325 HydrophobicContact CG-CD1 4.04Å; Y26-Y325 AromaticContact CZ-CD1 3.69Å; Y26-Y325 AromaticContact CZ-CE1 3.79Å; D163-Y325 PolarHBondContact O-OH 3.18Å; G166-Y325 WeakPolarHBondContact O-CD2 3.31Å; G166-Y325 WeakPolarHBondContact O-CE2 3.47Å; W167-Y325 HydrophobicContact CB-CE2 4.22Å; W167-Y325 PolarHBondContact N-OH 2.71Å; S323-Y325 PolarHBondContact O-N 3.33Å; S323-Y325 VanDerWaalsContact O-N 3.11Å; S323-Y325 WeakPolarHBondContact OG-CB 3.16Å; S323-Y325 PolarHBondContact OG-N 3.05Å; Y325-R327 PolarHBondContact O-N 3.11Å
326S96.2Very high92.4Very high0 Ų048.6 Ų48.60%026%0.257CS..  trans-73.257.4177.5-62.10000111.6Y250 M251 L322 S323 P324Y250-S326 CarbonylContact C-O 3.5Å; Y250-S326 VanDerWaalsContact CA-O 3.23Å; Y250-S326 WeakPolarHBondContact CA-O 3.45Å; M251-S326 PolarHBondContact N-O 2.89Å; L322-S326 WeakPolarHBondContact CA-OG 3.49Å; S323-S326 PolarHBondContact N-OG 2.81Å; S323-S326 VanDerWaalsContact N-OG 3.17Å; S323-S326 VanDerWaalsContact O-CB 3.27Å; S323-S326 WeakPolarHBondContact O-CB 3.49Å; S323-S326 PolarHBondContact O-N 3.16Å; S323-S326 PolarHBondContact O-OG 2.66Å; P324-S326 VanDerWaalsContact C-N 3.28Å; P324-S326 PolarHBondContact O-N 2.87Å
327R96.2Very high91.8Very high4 Ų454.5 Ų54.52%0.01528%0.283CS..SBendtrans-135154.8-179.6-63.3-68.7-64.6-106-2.1109.1Y26 E27 D159 I160 H249 Y250 Y325Y26-R327 HydrophobicContact CD1-CB 4.13Å; E27-R327 PolarHBondContact N-O 3.41Å; D159-R327 PolarHBondContact O-NH1 3.09Å; D159-R327 VanDerWaalsContact O-NH1 3.1Å; D159-R327 IonicContact OD2-CZ 3.49Å; D159-R327 IonicContact OD2-NH1 2.73Å; D159-R327 PolarHBondContact OD2-NH1 3.23Å; D159-R327 IonicContact OD2-NH2 3.52Å; D159-R327 PolarHBondContact OD2-NH2 3.15Å; I160-R327 HydrophobicContact CG2-CB 4.14Å; I160-R327 HydrophobicContact CG2-CG 4.34Å; H249-R327 VanDerWaalsContact O-CD 3.24Å; H249-R327 WeakPolarHBondContact O-CD 3.4Å; H249-R327 PolarHBondContact O-NE 3.47Å; Y250-R327 HydrophobicContact CD1-CG 4.15Å; Y250-R327 HydrophobicContact CE1-CG 3.94Å; Y325-R327 PolarHBondContact O-N 3.11Å
328I95.8Very high91Very high10 Ų1057.2 Ų57.25%0.05130%0.295CS..EExtended strand (participates in β ladder)trans-92132.4170.2-59.4-155.4000109.1E27 V29 M251 E257E27-I328 HydrophobicContact CB-CG1 4.32Å; E27-I328 CarbonylContact O-C 3.25Å; E27-I328 WeakPolarHBondContact O-CA 3.4Å; V29-I328 HydrophobicContact CB-CG2 4.22Å; V29-I328 HydrophobicContact CG1-CD1 4.38Å; V29-I328 HydrophobicContact CG1-CG2 3.77Å; V29-I328 HydrophobicContact CG2-CG2 3.43Å; V29-I328 VanDerWaalsContact CG2-CG2 3.43Å; M251-I328 HydrophobicContact CE-CG1 4.48Å; M251-I328 HydrophobicContact SD-CD1 3.94Å; M251-I328 HydrophobicContact SD-CG1 3.95Å; E257-I328 HydrophobicContact CB-CB 4.11Å; E257-I328 HydrophobicContact CB-CD1 3.76Å; E257-I328 HydrophobicContact CB-CG1 3.85Å
329K96Very high89.5Confident22 Ų2261.7 Ų61.710%0.09632%0.315CS..EExtended strand (participates in β ladder)trans-116.5149.2169.2-72.6-173.277.3176.90110.7Y26 E27 W28 V29 G152 D154 I160Y26-K329 HydrophobicContact CD1-CD 3.9Å; Y26-K329 HydrophobicContact CD1-CG 4.19Å; Y26-K329 HydrophobicContact CD2-CD 3.24Å; Y26-K329 HydrophobicContact CD2-CG 4.2Å; Y26-K329 HydrophobicContact CE1-CD 4.27Å; Y26-K329 HydrophobicContact CE2-CD 3.68Å; Y26-K329 HydrophobicContact CG-CD 3.34Å; Y26-K329 HydrophobicContact CG-CG 3.81Å; E27-K329 PolarHBondContact O-N 3.4Å; W28-K329 WeakPolarHBondContact CA-O 3.44Å; W28-K329 HydrophobicContact CD2-CB 4.02Å; W28-K329 HydrophobicContact CE3-CB 3.78Å; W28-K329 HydrophobicContact CH2-CB 4.08Å; W28-K329 HydrophobicContact CH2-CD 4.17Å; W28-K329 HydrophobicContact CZ2-CB 4.27Å; W28-K329 HydrophobicContact CZ2-CD 4.05Å; W28-K329 HydrophobicContact CZ3-CB 3.81Å; V29-K329 PolarHBondContact N-O 3.37Å; G152-K329 CarbonylContact O-C 3.38Å; G152-K329 VanDerWaalsContact O-CA 3.29Å; G152-K329 WeakPolarHBondContact O-CA 3.3Å; D154-K329 WeakPolarHBondContact OD1-CE 3.27Å; D154-K329 IonicContact OD1-NZ 2.78Å; D154-K329 PolarHBondContact OD1-NZ 3.47Å; I160-K329 HydrophobicContact CD1-CG 3.87Å; I160-K329 HydrophobicContact CG2-CD 4.27Å; I160-K329 HydrophobicContact CG2-CG 4.18Å
330R94.8Very high89.2Confident9 Ų961.5 Ų61.53%0.03431%0.313CS..EExtended strand (participates in β ladder)trans-140.8145.3178.155.9-174.459.392.29.8111.4V29 L151 G152 D154 E257V29-R330 HydrophobicContact CG2-CB 4.02Å; L151-R330 VanDerWaalsContact O-CD 3.3Å; L151-R330 WeakPolarHBondContact O-CD 3.34Å; L151-R330 PolarHBondContact O-NH1 3.14Å; G152-R330 WeakPolarHBondContact O-CG 3.47Å; G152-R330 PolarHBondContact O-N 2.75Å; D154-R330 PolarHBondContact N-O 3.16Å; E257-R330 IonicContact OE1-CZ 3.05Å; E257-R330 IonicContact OE1-NH1 3.57Å; E257-R330 IonicContact OE1-NH2 2.76Å; E257-R330 PolarHBondContact OE1-NH2 3.2Å; E257-R330 IonicContact OE2-CZ 3.75Å; E257-R330 IonicContact OE2-NH1 2.75Å; E257-R330 PolarHBondContact OE2-NH1 2.89Å; E257-R330 IonicContact OE2-NH2 3.59Å; E257-R330 PolarHBondContact OE2-NH2 3.12Å
331K92.9Very high89Confident143 Ų14361.5 Ų61.562%0.62231%0.312SS*.  trans-81121.1168.5-67.1-172.6178.3-177.80108.6W28W28-K331 HydrophobicContact CZ3-CG 4.17Å
332L89.3Confident88.9Confident55 Ų5560.3 Ų60.329%0.28830%0.301SS..  trans-70.3142.7178.5-61178.3000110.5Y150 I156 V336Y150-L332 HydrophobicContact CD1-CD1 3.95Å; Y150-L332 HydrophobicContact CD1-CD2 4.03Å; Y150-L332 HydrophobicContact CG-CD1 4.15Å; I156-L332 HydrophobicContact CB-CD1 4.01Å; I156-L332 HydrophobicContact CG1-CD1 3.58Å; I156-L332 HydrophobicContact CG2-CD1 4.46Å; L332-V336 HydrophobicContact CB-CG2 4.35Å; L332-V336 HydrophobicContact CD1-CG2 3.81Å
333K80.9Confident88.5Confident153 Ų15363.5 Ų63.567%0.66532%0.318SS*.  trans-108.6137.4176.1-63.5174.8-171.61610109.3Y30Y30-K333 PolarHBondContact O-NZ 2.94Å; Y30-K333 VanDerWaalsContact O-NZ 3.16Å
334G79.7Confident88.1Confident71 Ų7167.4 Ų67.473%0.73234%0.337SS*.SBendtrans79.2-167.717800000114.3V336G334-V336 PolarHBondContact O-N 3.27Å
335E80Confident87.5Confident165 Ų16571.9 Ų71.977%0.77136%0.36SS*.  trans-73.2125.3-177.6-70.1-177.1170.500112.3
336V85.4Confident86.9Confident59 Ų5976 Ų7636%0.35838%0.381SS..  trans-80.9127171.1-179.10000108.9Y150 I156 L332 G334 Q338Y150-V336 HydrophobicContact CD2-CG1 4.43Å; Y150-V336 HydrophobicContact CE2-CG1 3.96Å; I156-V336 HydrophobicContact CD1-CG1 3.84Å; I156-V336 HydrophobicContact CG1-CG1 4.12Å; L332-V336 HydrophobicContact CB-CG2 4.35Å; L332-V336 HydrophobicContact CD1-CG2 3.81Å; G334-V336 PolarHBondContact O-N 3.27Å; V336-Q338 HydrophobicContact CG1-CG 3.93Å
337K84.1Confident86.2Confident123 Ų12381.8 Ų81.854%0.53541%0.41SS..  trans-115.8102.1-177.3-67.2-175.6-179.4-175.20109.2R149 Y150R149-K337 PolarHBondContact NH1-O 3.1Å; Y150-K337 PolarHBondContact OH-N 2.94Å
338Q80Confident85.4Confident76 Ų7688.3 Ų88.336%0.35544%0.443SS..  trans-111146.2179.1-67.7175.8-63.200110.9D146 N194 V336D146-Q338 WeakPolarHBondContact OD2-CG 3.27Å; D146-Q338 PolarHBondContact OD2-NE2 3.09Å; N194-Q338 PolarHBondContact ND2-NE2 2.64Å; V336-Q338 HydrophobicContact CG1-CG 3.93Å
339E65.5Low84.4Confident174 Ų17495.5 Ų95.581%0.81348%0.479SS*.  trans-87.20172.3-71.2-173.817300113.3R142 K196R142-E339 PolarHBondContact NE-O 2.74Å; R142-E339 VanDerWaalsContact NE-O 3.09Å; R142-E339 PolarHBondContact NH2-O 3.43Å; K196-E339 PolarHBondContact NZ-O 2.62Å

Retrieved 339 of 339 residues in 90.8 ms (Link to these results)

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