A0A093HTE0_STRCA Loading...

Actin, alpha cardiac muscle 1

AlphaFold DB , UniProt , Accession A0A093HTE0, Species STRCA (Struthio camelus australis), Gene n/a, Length 334 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
1G33.4Very low56Low129 Ų129130.3 Ų130.3100%1.3381%0.809SS**  0120.3000000107.6M3G1-M3 PolarHBondContact O-N 2.8Å
2V34.8Very low59.1Low131 Ų131124.2 Ų124.279%0.79476%0.76SS**  trans-69.8114.8179.8179.60000107.5V4V2-V4 VanDerWaalsContact C-N 3.32Å; V2-V4 HydrophobicContact CG1-CG2 4.17Å; V2-V4 PolarHBondContact O-N 2.61Å
3M37.4Very low61.9Low191 Ų191116.9 Ų116.994%0.94172%0.716SS**  trans-68.395.7168.2-95.8-173.1-80.400108.1G1G1-M3 PolarHBondContact O-N 2.8Å
4V43.3Very low64.2Low140 Ų140111.6 Ų111.685%0.84870%0.696SS**  trans-79.3111.8166.3177.10000106.6V2V2-V4 VanDerWaalsContact C-N 3.32Å; V2-V4 HydrophobicContact CG1-CG2 4.17Å; V2-V4 PolarHBondContact O-N 2.61Å
5G45.1Very low66Low76 Ų76113.9 Ų113.978%0.78470%0.702SS**  trans165.23.617900000118.9
6M48.2Very low67.6Low168 Ų168110.7 Ų110.783%0.82868%0.676SS**SBendtrans-101.9121.6165.4-74.9-179.512400108Q8M6-Q8 PolarHBondContact O-N 3.31Å
7G57.6Low69Low67 Ų67104.9 Ų104.969%0.69164%0.643SS**  trans-46.4126.3179.100000110.8K9G7-K9 PolarHBondContact O-N 3.08Å
8Q63.2Low70Confident193 Ų193102.1 Ų102.190%0.90262%0.621SS**  trans-58.4114.1175-104.6178.7-20.200107.8M6M6-Q8 PolarHBondContact O-N 3.31Å
9K77.8Confident70.9Confident113 Ų113101.5 Ų101.549%0.49162%0.622SS.*  trans-88.9140.4166.3-66.7-174.2-173.9171.80107.6G7 S11 Y12 E16G7-K9 PolarHBondContact O-N 3.08Å; K9-S11 VanDerWaalsContact C-N 3.25Å; K9-S11 PolarHBondContact O-N 3.2Å; K9-Y12 HydrophobicContact CB-CE1 4.04Å; K9-Y12 HydrophobicContact CD-CD1 4.27Å; K9-Y12 HydrophobicContact CD-CE1 3.87Å; K9-Y12 HydrophobicContact CG-CE1 4.3Å; K9-E16 IonicContact NZ-OE1 2.81Å; K9-E16 IonicContact NZ-OE2 3.66Å; K9-E16 PolarHBondContact NZ-OE2 3Å
10D84.1Confident71.8Confident172 Ų17298.9 Ų98.992%0.9260%0.601SS**SBendtrans-70.8-22.5178.8-61.5-36.4000112.9
11S90.9Very high72.3Confident53 Ų5397.7 Ų97.737%0.37159%0.586SS.*  trans-151.6155.5176.659.90000112.6K9K9-S11 VanDerWaalsContact C-N 3.25Å; K9-S11 PolarHBondContact O-N 3.2Å
12Y93.4Very high74.5Confident57 Ų5795.2 Ų95.222%0.22456%0.56CS.*  trans-123.6145.1173.8-62-80.9000109.3K9 E16 K20 L24K9-Y12 HydrophobicContact CB-CE1 4.04Å; K9-Y12 HydrophobicContact CD-CD1 4.27Å; K9-Y12 HydrophobicContact CD-CE1 3.87Å; K9-Y12 HydrophobicContact CG-CE1 4.3Å; Y12-E16 HydrophobicContact CD1-CB 4.44Å; Y12-E16 HydrophobicContact CD1-CG 3.7Å; Y12-E16 WeakPolarHBondContact CD1-OE1 3.22Å; Y12-E16 HydrophobicContact CE1-CG 4.27Å; Y12-E16 WeakPolarHBondContact CE1-OE1 3.14Å; Y12-K20 HydrophobicContact CD1-CD 4.3Å; Y12-K20 HydrophobicContact CE1-CD 4.14Å; Y12-K20 HydrophobicContact CE2-CD 4.48Å; Y12-L24 HydrophobicContact CD2-CD1 3.59Å; Y12-L24 HydrophobicContact CD2-CD2 3.69Å; Y12-L24 HydrophobicContact CD2-CG 4.29Å; Y12-L24 HydrophobicContact CE2-CD1 4.44Å; Y12-L24 HydrophobicContact CE2-CD2 3.97Å; Y12-L24 HydrophobicContact CG-CD1 3.98Å
13V95.4Very high77Confident30 Ų3095.9 Ų95.918%0.18256%0.558CS.*  trans-129.6150.2-179.2-178.20000109K43 I44 H47V13-K43 HydrophobicContact CG2-CB 4.32Å; V13-I44 HydrophobicContact CG1-CG1 3.95Å; V13-H47 HydrophobicContact CB-CB 4Å; V13-H47 HydrophobicContact CG1-CB 3.86Å; V13-H47 HydrophobicContact CG2-CB 4.26Å
14G93.7Very high79.4Confident43 Ų4389.1 Ų89.144%0.44353%0.526SS..Hα-helixtrans65.3-140.7173.300000114.1E16 A17 Q18G14-E16 PolarHBondContact O-N 3.44Å; G14-A17 WeakPolarHBondContact O-CB 3.43Å; G14-A17 PolarHBondContact O-N 3.08Å; G14-Q18 PolarHBondContact O-N 3.21Å
15D92Very high81.4Confident145 Ų14588.8 Ų88.878%0.77552%0.524SS*.Hα-helixtrans-62.3-28.7-176.3-66.8-24.8000112.9Q18 S19D15-Q18 PolarHBondContact O-N 2.91Å; D15-S19 WeakPolarHBondContact O-CB 3.42Å; D15-S19 PolarHBondContact O-N 3.15Å; D15-S19 PolarHBondContact O-OG 3.02Å
16E91.4Very high83.5Confident63 Ų6387.6 Ų87.629%0.29450%0.499SS..Hα-helixtrans-67.3-39175.1-162.5-179.1177.300111.1K9 Y12 G14 S19 K20K9-E16 IonicContact NZ-OE1 2.81Å; K9-E16 IonicContact NZ-OE2 3.66Å; K9-E16 PolarHBondContact NZ-OE2 3Å; Y12-E16 HydrophobicContact CD1-CB 4.44Å; Y12-E16 HydrophobicContact CD1-CG 3.7Å; Y12-E16 WeakPolarHBondContact CD1-OE1 3.22Å; Y12-E16 HydrophobicContact CE1-CG 4.27Å; Y12-E16 WeakPolarHBondContact CE1-OE1 3.14Å; G14-E16 PolarHBondContact O-N 3.44Å; E16-S19 PolarHBondContact O-OG 2.75Å; E16-S19 VanDerWaalsContact O-OG 3.04Å; E16-K20 HydrophobicContact CG-CD 4.36Å; E16-K20 WeakPolarHBondContact O-CB 3.21Å; E16-K20 WeakPolarHBondContact O-CG 3.41Å; E16-K20 PolarHBondContact O-N 3.37Å; E16-K20 IonicContact OE1-NZ 3.85Å; E16-K20 PolarHBondContact OE1-NZ 2.7Å
17A91.3Very high85.5Confident13 Ų1386.1 Ų86.111%0.10749%0.488CS..Hα-helixtrans-66.7-42.1173.300000111G14 K20 R21 L24 L26G14-A17 WeakPolarHBondContact O-CB 3.43Å; G14-A17 PolarHBondContact O-N 3.08Å; A17-K20 CarbonylContact O-C 3.58Å; A17-K20 PolarHBondContact O-N 3.4Å; A17-R21 PolarHBondContact O-N 2.82Å; A17-R21 VanDerWaalsContact O-N 3.14Å; A17-L24 HydrophobicContact CB-CD1 4.45Å; A17-L26 HydrophobicContact CB-CD2 4.13Å
18Q87.1Confident87.1Confident53 Ų5388.2 Ų88.225%0.24848%0.476CS..Hα-helixtrans-66.5-43.1-177.6-163.668.6-11.500112.8G14 D15 K20 R21 E166G14-Q18 PolarHBondContact O-N 3.21Å; D15-Q18 PolarHBondContact O-N 2.91Å; Q18-K20 PolarHBondContact O-N 3.43Å; Q18-R21 WeakPolarHBondContact O-CB 3.48Å; Q18-R21 WeakPolarHBondContact O-CD 3.44Å; Q18-R21 VanDerWaalsContact O-CG 3.29Å; Q18-R21 WeakPolarHBondContact O-CG 3.27Å; Q18-R21 PolarHBondContact O-N 3.03Å; Q18-E166 PolarHBondContact NE2-OE2 3.37Å
19S87.5Confident88.6Confident92 Ų9279.6 Ų79.664%0.64344%0.437SS*.Hα-helixtrans-64.8-26.3176.258.90000112.9D15 E16D15-S19 WeakPolarHBondContact O-CB 3.42Å; D15-S19 PolarHBondContact O-N 3.15Å; D15-S19 PolarHBondContact O-OG 3.02Å; E16-S19 PolarHBondContact O-OG 2.75Å; E16-S19 VanDerWaalsContact O-OG 3.04Å
20K87.8Confident89.4Confident49 Ų4977.4 Ų77.421%0.21343%0.43CS..THydrogen-bonded Turntrans-101.514.5179.6-66.5175.3179.5174.90113.7Y12 E16 A17 Q18 G22 I23 L24Y12-K20 HydrophobicContact CD1-CD 4.3Å; Y12-K20 HydrophobicContact CE1-CD 4.14Å; Y12-K20 HydrophobicContact CE2-CD 4.48Å; E16-K20 HydrophobicContact CG-CD 4.36Å; E16-K20 WeakPolarHBondContact O-CB 3.21Å; E16-K20 WeakPolarHBondContact O-CG 3.41Å; E16-K20 PolarHBondContact O-N 3.37Å; E16-K20 IonicContact OE1-NZ 3.85Å; E16-K20 PolarHBondContact OE1-NZ 2.7Å; A17-K20 CarbonylContact O-C 3.58Å; A17-K20 PolarHBondContact O-N 3.4Å; Q18-K20 PolarHBondContact O-N 3.43Å; K20-G22 PolarHBondContact O-N 3.36Å; K20-I23 HydrophobicContact CB-CG1 4.22Å; K20-I23 VanDerWaalsContact O-CG1 3.28Å; K20-I23 WeakPolarHBondContact O-CG1 3.25Å; K20-I23 PolarHBondContact O-N 3.3Å; K20-L24 HydrophobicContact CB-CD1 3.52Å; K20-L24 HydrophobicContact CB-CG 3.91Å; K20-L24 WeakPolarHBondContact O-CG 3.37Å; K20-L24 PolarHBondContact O-N 2.82Å
21R82.8Confident89.6Confident73 Ų7373.8 Ų73.828%0.27541%0.407SS..THydrogen-bonded Turntrans-53.3-24.9-178.368-172.4178.51784.8115.7A17 Q18 I23 L26 A163A17-R21 PolarHBondContact O-N 2.82Å; A17-R21 VanDerWaalsContact O-N 3.14Å; Q18-R21 WeakPolarHBondContact O-CB 3.48Å; Q18-R21 WeakPolarHBondContact O-CD 3.44Å; Q18-R21 VanDerWaalsContact O-CG 3.29Å; Q18-R21 WeakPolarHBondContact O-CG 3.27Å; Q18-R21 PolarHBondContact O-N 3.03Å; R21-I23 VanDerWaalsContact C-N 3.27Å; R21-I23 PolarHBondContact O-N 3.48Å; R21-L26 HydrophobicContact CB-CD1 3.91Å; R21-L26 HydrophobicContact CB-CG 4.43Å; R21-A163 VanDerWaalsContact CZ-O 3.27Å; R21-A163 VanDerWaalsContact NE-CB 3.35Å; R21-A163 VanDerWaalsContact NH1-CA 3.26Å; R21-A163 PolarHBondContact NH1-O 3.35Å; R21-A163 PolarHBondContact NH2-O 3.39Å
22G80.7Confident89.5Confident77 Ų7774.3 Ų74.379%0.79440%0.404SS*.THydrogen-bonded Turntrans-72.4-16.4178.300000114.6K20K20-G22 PolarHBondContact O-N 3.36Å
23I87Confident89.3Confident145 Ų14572.8 Ų72.874%0.74441%0.405SS*.THydrogen-bonded Turntrans-126-0.3-179.161170.6000113K20 R21K20-I23 HydrophobicContact CB-CG1 4.22Å; K20-I23 VanDerWaalsContact O-CG1 3.28Å; K20-I23 WeakPolarHBondContact O-CG1 3.25Å; K20-I23 PolarHBondContact O-N 3.3Å; R21-I23 VanDerWaalsContact C-N 3.27Å; R21-I23 PolarHBondContact O-N 3.48Å
24L86.8Confident89.1Confident50 Ų5072.6 Ų72.626%0.26240%0.403SS..SBendtrans-116.1146.6-179.3-62-179.7000110.8Y12 A17 K20 L26Y12-L24 HydrophobicContact CD2-CD1 3.59Å; Y12-L24 HydrophobicContact CD2-CD2 3.69Å; Y12-L24 HydrophobicContact CD2-CG 4.29Å; Y12-L24 HydrophobicContact CE2-CD1 4.44Å; Y12-L24 HydrophobicContact CE2-CD2 3.97Å; Y12-L24 HydrophobicContact CG-CD1 3.98Å; A17-L24 HydrophobicContact CB-CD1 4.45Å; K20-L24 HydrophobicContact CB-CD1 3.52Å; K20-L24 HydrophobicContact CB-CG 3.91Å; K20-L24 WeakPolarHBondContact O-CG 3.37Å; K20-L24 PolarHBondContact O-N 2.82Å; L24-L26 HydrophobicContact CB-CD2 4.46Å
25T86.1Confident89.1Confident133 Ų13371.4 Ų71.482%0.81639%0.386SS*.  trans-87.5108.4164.3-52.40000108.7
26L88.2Confident89.2Confident50 Ų5068.3 Ų68.326%0.26237%0.373SS..  trans-75138.7178.1-58.9-177.7000110.9A17 R21 L24A17-L26 HydrophobicContact CB-CD2 4.13Å; R21-L26 HydrophobicContact CB-CD1 3.91Å; R21-L26 HydrophobicContact CB-CG 4.43Å; L24-L26 HydrophobicContact CB-CD2 4.46Å
27K90.9Very high89.5Confident138 Ų13867.7 Ų67.760%0.637%0.372SS*.  trans-128.5145.5175.6-64.2-177.8-177.7179.10109.6D40K27-D40 WeakPolarHBondContact CD-OD2 3.46Å
28Y91.5Very high89.7Confident110 Ų11069.3 Ų69.343%0.43138%0.375SS..  trans-114.2105.3177.1-63.9-89.8000108.5I30Y28-I30 PolarHBondContact O-N 3.37Å
29P94.5Very high90.2Very high13 Ų1372.4 Ų72.48%0.08439%0.393CS..SBendtrans-75.4-6.2-175.627.9-32.7000114I35 T36 N37 D40 M41 I44P29-I35 WeakPolarHBondContact O-CA 3.3Å; P29-T36 PolarHBondContact O-N 2.88Å; P29-T36 PolarHBondContact O-OG1 3.49Å; P29-N37 HydrophobicContact CB-CB 4.21Å; P29-N37 WeakPolarHBondContact CB-O 3.32Å; P29-N37 PolarHBondContact O-N 3.29Å; P29-D40 HydrophobicContact CB-CB 3.87Å; P29-D40 HydrophobicContact CG-CB 4.3Å; P29-M41 HydrophobicContact CB-CB 4.41Å; P29-M41 HydrophobicContact CG-SD 4.47Å; P29-I44 HydrophobicContact CG-CD1 3.33Å; P29-I44 HydrophobicContact CG-CG1 4.47Å
30I93.5Very high90.6Very high66 Ų6669.2 Ų69.234%0.33837%0.369SS..EExtended strand (participates in β ladder)trans-121.4119.5175.9-55.3178.4000108.5Y28 I34 I35 M41Y28-I30 PolarHBondContact O-N 3.37Å; I30-I34 WeakPolarHBondContact CA-O 3.46Å; I30-I35 HydrophobicContact CD1-CG1 4.44Å; I30-I35 HydrophobicContact CG1-CG1 4.05Å; I30-M41 HydrophobicContact CD1-CE 4.24Å; I30-M41 HydrophobicContact CD1-SD 3.8Å; I30-M41 HydrophobicContact CG1-SD 3.96Å
31E90.3Very high91.1Very high96 Ų9667.6 Ų67.645%0.44936%0.362SS..EExtended strand (participates in β ladder)trans-120.6128.6175.5-65.9-177.5169.300108.9G33 I34 T36E31-G33 PolarHBondContact O-N 3.05Å; E31-G33 VanDerWaalsContact O-N 3.07Å; E31-I34 PolarHBondContact N-O 3.29Å; E31-I34 PolarHBondContact O-N 3.17Å; E31-T36 HydrophobicContact CB-CG2 4.04Å; E31-T36 HydrophobicContact CG-CG2 4.39Å
32H88.8Confident91.8Very high65 Ų6567.4 Ų67.430%0.30136%0.364SS..THydrogen-bonded Turntrans47.340.1-177.5-53-69.1000114.3I34 G117 R136H32-I34 VanDerWaalsContact C-N 3.3Å; H32-I34 PolarHBondContact O-N 3.29Å; H32-G117 WeakPolarHBondContact CA-O 3.48Å; H32-G117 PolarHBondContact ND1-O 3.11Å; H32-R136 VanDerWaalsContact CB-NH2 3.35Å; H32-R136 PolarHBondContact O-NH2 3.25Å; H32-R136 VanDerWaalsContact O-NH2 3.08Å
33G87.3Confident92.5Very high24 Ų2467.7 Ų67.725%0.24734%0.344CS..THydrogen-bonded Turntrans78.93.7178.600000115.6E31E31-G33 PolarHBondContact O-N 3.05Å; E31-G33 VanDerWaalsContact O-N 3.07Å
34I91.6Very high93Very high27 Ų2763.3 Ų63.314%0.13832%0.322CS..EExtended strand (participates in β ladder)trans-114.1132.9-178.2-53.2-61.3000109.3I30 E31 H32 T36 N74I30-I34 WeakPolarHBondContact CA-O 3.46Å; E31-I34 PolarHBondContact N-O 3.29Å; E31-I34 PolarHBondContact O-N 3.17Å; H32-I34 VanDerWaalsContact C-N 3.3Å; H32-I34 PolarHBondContact O-N 3.29Å; I34-T36 PolarHBondContact O-N 3.32Å; I34-N74 VanDerWaalsContact CG2-ND2 3.26Å; I34-N74 WeakPolarHBondContact CG2-ND2 3.39Å
35I94.6Very high93.6Very high17 Ų1762 Ų629%0.08731%0.313CS..EExtended strand (participates in β ladder)trans-70.4120.9174.5-61.5162.5000108.5P29 I30 W38 M41 W45 N74 M78P29-I35 WeakPolarHBondContact O-CA 3.3Å; I30-I35 HydrophobicContact CD1-CG1 4.44Å; I30-I35 HydrophobicContact CG1-CG1 4.05Å; I35-W38 HydrophobicContact CB-CH2 4.16Å; I35-W38 HydrophobicContact CB-CZ2 4.07Å; I35-W38 HydrophobicContact CB-CZ3 4.49Å; I35-W38 HydrophobicContact CD1-CE3 4.39Å; I35-W38 HydrophobicContact CD1-CH2 3.6Å; I35-W38 HydrophobicContact CD1-CZ2 4.37Å; I35-W38 HydrophobicContact CD1-CZ3 3.63Å; I35-W38 HydrophobicContact CG1-CH2 4.49Å; I35-W38 HydrophobicContact CG2-CD2 3.77Å; I35-W38 HydrophobicContact CG2-CE3 3.89Å; I35-W38 HydrophobicContact CG2-CG 4.3Å; I35-W38 HydrophobicContact CG2-CH2 4.22Å; I35-W38 HydrophobicContact CG2-CZ2 4.07Å; I35-W38 HydrophobicContact CG2-CZ3 4.15Å; I35-M41 HydrophobicContact CD1-CG 4Å; I35-M41 HydrophobicContact CD1-SD 4.47Å; I35-M41 HydrophobicContact CG1-CG 4.25Å; I35-M41 HydrophobicContact CG1-SD 4.34Å; I35-M41 HydrophobicContact CG2-CB 3.96Å; I35-M41 HydrophobicContact CG2-CG 4.17Å; I35-W45 HydrophobicContact CD1-CH2 4.07Å; I35-W45 HydrophobicContact CD1-CZ2 4.32Å; I35-N74 PolarHBondContact O-ND2 3.24Å; I35-M78 HydrophobicContact CD1-CE 3.73Å
36T94.4Very high94.1Very high80 Ų8060 Ų6049%0.49129%0.294SS..  trans-107.2-24179.556.10000112.5P29 E31 I34P29-T36 PolarHBondContact O-N 2.88Å; P29-T36 PolarHBondContact O-OG1 3.49Å; E31-T36 HydrophobicContact CB-CG2 4.04Å; E31-T36 HydrophobicContact CG-CG2 4.39Å; I34-T36 PolarHBondContact O-N 3.32Å
37N96.7Very high94.5Very high51 Ų5159.3 Ų59.327%0.27329%0.29SS..  trans-130.2107.6176.3-171.4-46.3000110.9P29 D39 D40 M41P29-N37 HydrophobicContact CB-CB 4.21Å; P29-N37 WeakPolarHBondContact CB-O 3.32Å; P29-N37 PolarHBondContact O-N 3.29Å; N37-D39 PolarHBondContact OD1-N 3.5Å; N37-D39 VanDerWaalsContact OD1-N 3.13Å; N37-D40 HydrophobicContact CB-CB 4.29Å; N37-D40 PolarHBondContact ND2-OD2 2.92Å; N37-D40 PolarHBondContact OD1-N 3.25Å; N37-M41 WeakPolarHBondContact O-CB 3.47Å; N37-M41 PolarHBondContact O-N 3.08Å; N37-M41 VanDerWaalsContact O-N 3.08Å
38W96.7Very high94.9Very high47 Ų4755.1 Ų55.118%0.17828%0.276CS..Hα-helixtrans-73.8-34.4-177.4-69.8100.1000113.4I35 D40 M41 E42 W45 N74 K77 M78 I81I35-W38 HydrophobicContact CB-CH2 4.16Å; I35-W38 HydrophobicContact CB-CZ2 4.07Å; I35-W38 HydrophobicContact CB-CZ3 4.49Å; I35-W38 HydrophobicContact CD1-CE3 4.39Å; I35-W38 HydrophobicContact CD1-CH2 3.6Å; I35-W38 HydrophobicContact CD1-CZ2 4.37Å; I35-W38 HydrophobicContact CD1-CZ3 3.63Å; I35-W38 HydrophobicContact CG1-CH2 4.49Å; I35-W38 HydrophobicContact CG2-CD2 3.77Å; I35-W38 HydrophobicContact CG2-CE3 3.89Å; I35-W38 HydrophobicContact CG2-CG 4.3Å; I35-W38 HydrophobicContact CG2-CH2 4.22Å; I35-W38 HydrophobicContact CG2-CZ2 4.07Å; I35-W38 HydrophobicContact CG2-CZ3 4.15Å; W38-D40 VanDerWaalsContact C-N 3.34Å; W38-D40 PolarHBondContact O-N 2.65Å; W38-M41 PolarHBondContact O-N 2.93Å; W38-E42 WeakPolarHBondContact O-CB 3.42Å; W38-E42 PolarHBondContact O-N 3.04Å; W38-W45 HydrophobicContact CE3-CZ3 4.44Å; W38-W45 AromaticContact CZ3-CH2 3.93Å; W38-W45 HydrophobicContact CZ3-CH2 3.93Å; W38-W45 HydrophobicContact CZ3-CZ3 4.24Å; W38-N74 HydrophobicContact CH2-CB 4.35Å; W38-N74 WeakPolarHBondContact CH2-O 3.21Å; W38-N74 HydrophobicContact CZ2-CB 3.91Å; W38-K77 HydrophobicContact CD2-CB 4.42Å; W38-K77 HydrophobicContact CD2-CG 3.56Å; W38-K77 HydrophobicContact CE3-CG 3.83Å; W38-K77 HydrophobicContact CG-CG 4.11Å; W38-K77 HydrophobicContact CH2-CB 3.84Å; W38-K77 HydrophobicContact CH2-CG 3.99Å; W38-K77 HydrophobicContact CZ2-CB 3.7Å; W38-K77 HydrophobicContact CZ2-CG 3.77Å; W38-K77 HydrophobicContact CZ3-CB 4.26Å; W38-K77 HydrophobicContact CZ3-CG 4Å; W38-M78 HydrophobicContact CH2-CB 4.04Å; W38-M78 HydrophobicContact CZ3-CB 4.05Å; W38-I81 HydrophobicContact CB-CD1 4.46Å; W38-I81 HydrophobicContact CD2-CD1 4.18Å; W38-I81 HydrophobicContact CE3-CD1 3.35Å; W38-I81 HydrophobicContact CZ3-CD1 3.92Å
39D96.5Very high95.2Very high117 Ų11750.7 Ų50.763%0.62626%0.259SS*.Hα-helixtrans-64.6-41.9178.6-58.5-26.6000111.1N37 K43N37-D39 PolarHBondContact OD1-N 3.5Å; N37-D39 VanDerWaalsContact OD1-N 3.13Å; D39-K43 WeakPolarHBondContact O-CG 3.49Å; D39-K43 PolarHBondContact O-N 3.22Å
40D96.5Very high95.3Very high26 Ų2654.6 Ų54.614%0.13927%0.272CS..Hα-helixtrans-74.8-32.1177.2-71.6-17.6000111.3K27 P29 N37 W38 K43 I44K27-D40 WeakPolarHBondContact CD-OD2 3.46Å; P29-D40 HydrophobicContact CB-CB 3.87Å; P29-D40 HydrophobicContact CG-CB 4.3Å; N37-D40 HydrophobicContact CB-CB 4.29Å; N37-D40 PolarHBondContact ND2-OD2 2.92Å; N37-D40 PolarHBondContact OD1-N 3.25Å; W38-D40 VanDerWaalsContact C-N 3.34Å; W38-D40 PolarHBondContact O-N 2.65Å; D40-K43 PolarHBondContact O-N 3.19Å; D40-K43 IonicContact OD1-NZ 2.65Å; D40-K43 PolarHBondContact OD1-NZ 3.36Å; D40-I44 WeakPolarHBondContact O-CG1 3.29Å; D40-I44 PolarHBondContact O-N 3.46Å; D40-I44 VanDerWaalsContact O-N 3.16Å
41M97.4Very high95.4Very high15 Ų1555.3 Ų55.37%0.07428%0.277CS..Hα-helixtrans-66.9-40.2173.3-167.965.5-149.100112.4P29 I30 I35 N37 W38 K43 I44 W45P29-M41 HydrophobicContact CB-CB 4.41Å; P29-M41 HydrophobicContact CG-SD 4.47Å; I30-M41 HydrophobicContact CD1-CE 4.24Å; I30-M41 HydrophobicContact CD1-SD 3.8Å; I30-M41 HydrophobicContact CG1-SD 3.96Å; I35-M41 HydrophobicContact CD1-CG 4Å; I35-M41 HydrophobicContact CD1-SD 4.47Å; I35-M41 HydrophobicContact CG1-CG 4.25Å; I35-M41 HydrophobicContact CG1-SD 4.34Å; I35-M41 HydrophobicContact CG2-CB 3.96Å; I35-M41 HydrophobicContact CG2-CG 4.17Å; N37-M41 WeakPolarHBondContact O-CB 3.47Å; N37-M41 PolarHBondContact O-N 3.08Å; N37-M41 VanDerWaalsContact O-N 3.08Å; W38-M41 PolarHBondContact O-N 2.93Å; M41-K43 VanDerWaalsContact C-N 3.31Å; M41-K43 PolarHBondContact O-N 3.23Å; M41-I44 HydrophobicContact CE-CB 4.46Å; M41-I44 HydrophobicContact CE-CG2 4.2Å; M41-I44 WeakPolarHBondContact O-CB 3.09Å; M41-I44 PolarHBondContact O-N 2.95Å; M41-I44 VanDerWaalsContact O-N 3.09Å; M41-I44 HydrophobicContact SD-CD1 4.44Å; M41-W45 HydrophobicContact CE-CD2 3.97Å; M41-W45 HydrophobicContact CE-CG 4.3Å; M41-W45 HydrophobicContact CE-CH2 4.45Å; M41-W45 HydrophobicContact CE-CZ2 3.64Å; M41-W45 VanDerWaalsContact CE-NE1 3.31Å; M41-W45 HydrophobicContact CG-CD2 4.16Å; M41-W45 HydrophobicContact CG-CE3 4.03Å; M41-W45 HydrophobicContact CG-CH2 3.72Å; M41-W45 HydrophobicContact CG-CZ2 3.86Å; M41-W45 HydrophobicContact CG-CZ3 3.81Å; M41-W45 PolarHBondContact O-N 3.08Å
42E97.1Very high95.7Very high68 Ų6856.7 Ų56.732%0.31828%0.283SS..Hα-helixtrans-60.7-41.4175.2-170.5179.9128.700111.3W38 I44 W45 H46 I81 T85 F86W38-E42 WeakPolarHBondContact O-CB 3.42Å; W38-E42 PolarHBondContact O-N 3.04Å; E42-I44 VanDerWaalsContact C-N 3.29Å; E42-I44 PolarHBondContact O-N 3.19Å; E42-W45 PolarHBondContact O-N 2.99Å; E42-H46 WeakPolarHBondContact O-CB 3.26Å; E42-H46 PolarHBondContact O-N 3.26Å; E42-I81 HydrophobicContact CG-CG2 4.33Å; E42-T85 HydrophobicContact CG-CG2 4.4Å; E42-T85 WeakPolarHBondContact OE1-CG2 3.42Å; E42-F86 HydrophobicContact CG-CE2 4.01Å; E42-F86 HydrophobicContact CG-CZ 3.86Å
43K96.9Very high96.1Very high83 Ų8358.8 Ų58.836%0.36130%0.296SS..Hα-helixtrans-60.9-37.5173-67167.9-160.8156.90112.3V13 D39 D40 M41 H47V13-K43 HydrophobicContact CG2-CB 4.32Å; D39-K43 WeakPolarHBondContact O-CG 3.49Å; D39-K43 PolarHBondContact O-N 3.22Å; D40-K43 PolarHBondContact O-N 3.19Å; D40-K43 IonicContact OD1-NZ 2.65Å; D40-K43 PolarHBondContact OD1-NZ 3.36Å; M41-K43 VanDerWaalsContact C-N 3.31Å; M41-K43 PolarHBondContact O-N 3.23Å; K43-H47 VanDerWaalsContact O-CB 3.29Å; K43-H47 WeakPolarHBondContact O-CB 3.13Å; K43-H47 PolarHBondContact O-N 3.48Å
44I97.5Very high96.6Very high54 Ų5467.7 Ų67.728%0.27732%0.322SS..Hα-helixtrans-64.5-47175-69.2177.6000110.8V13 P29 D40 M41 E42 H47 T48V13-I44 HydrophobicContact CG1-CG1 3.95Å; P29-I44 HydrophobicContact CG-CD1 3.33Å; P29-I44 HydrophobicContact CG-CG1 4.47Å; D40-I44 WeakPolarHBondContact O-CG1 3.29Å; D40-I44 PolarHBondContact O-N 3.46Å; D40-I44 VanDerWaalsContact O-N 3.16Å; M41-I44 HydrophobicContact CE-CB 4.46Å; M41-I44 HydrophobicContact CE-CG2 4.2Å; M41-I44 WeakPolarHBondContact O-CB 3.09Å; M41-I44 PolarHBondContact O-N 2.95Å; M41-I44 VanDerWaalsContact O-N 3.09Å; M41-I44 HydrophobicContact SD-CD1 4.44Å; E42-I44 VanDerWaalsContact C-N 3.29Å; E42-I44 PolarHBondContact O-N 3.19Å; I44-H47 PolarHBondContact O-N 3.49Å; I44-T48 WeakPolarHBondContact O-CB 3.22Å; I44-T48 PolarHBondContact O-N 2.94Å; I44-T48 PolarHBondContact O-OG1 3.1Å
45W97.9Very high96.9Very high22 Ų2268.5 Ų68.58%0.08333%0.328CS..Hα-helixtrans-64.4-42.3177.2-72.6-41.7000112.5I35 W38 M41 E42 H47 T48 F49 M78 I81 M82 F86I35-W45 HydrophobicContact CD1-CH2 4.07Å; I35-W45 HydrophobicContact CD1-CZ2 4.32Å; W38-W45 HydrophobicContact CE3-CZ3 4.44Å; W38-W45 AromaticContact CZ3-CH2 3.93Å; W38-W45 HydrophobicContact CZ3-CH2 3.93Å; W38-W45 HydrophobicContact CZ3-CZ3 4.24Å; M41-W45 HydrophobicContact CE-CD2 3.97Å; M41-W45 HydrophobicContact CE-CG 4.3Å; M41-W45 HydrophobicContact CE-CH2 4.45Å; M41-W45 HydrophobicContact CE-CZ2 3.64Å; M41-W45 VanDerWaalsContact CE-NE1 3.31Å; M41-W45 HydrophobicContact CG-CD2 4.16Å; M41-W45 HydrophobicContact CG-CE3 4.03Å; M41-W45 HydrophobicContact CG-CH2 3.72Å; M41-W45 HydrophobicContact CG-CZ2 3.86Å; M41-W45 HydrophobicContact CG-CZ3 3.81Å; M41-W45 PolarHBondContact O-N 3.08Å; E42-W45 PolarHBondContact O-N 2.99Å; W45-H47 VanDerWaalsContact C-N 3.32Å; W45-H47 PolarHBondContact O-N 3.3Å; W45-T48 WeakPolarHBondContact O-CB 3.41Å; W45-T48 PolarHBondContact O-N 3.46Å; W45-T48 VanDerWaalsContact O-N 3.11Å; W45-F49 HydrophobicContact CB-CE2 4.34Å; W45-F49 WeakPolarHBondContact O-CD2 3.44Å; W45-F49 PolarHBondContact O-N 3.16Å; W45-M78 HydrophobicContact CH2-CB 4.28Å; W45-M78 HydrophobicContact CH2-CE 4.45Å; W45-M78 HydrophobicContact CH2-CG 3.73Å; W45-M78 HydrophobicContact CZ2-CE 4.29Å; W45-M78 HydrophobicContact CZ2-CG 4.01Å; W45-M78 HydrophobicContact CZ2-SD 4.45Å; W45-I81 HydrophobicContact CE3-CG2 4.03Å; W45-I81 HydrophobicContact CZ3-CB 4.37Å; W45-I81 HydrophobicContact CZ3-CD1 4.15Å; W45-I81 HydrophobicContact CZ3-CG2 3.98Å; W45-M82 HydrophobicContact CB-CE 4.33Å; W45-M82 HydrophobicContact CD2-CE 3.33Å; W45-M82 VanDerWaalsContact CE2-CE 3.45Å; W45-M82 HydrophobicContact CE3-CE 3.7Å; W45-M82 HydrophobicContact CG-CE 3.64Å; W45-M82 HydrophobicContact CH2-CE 4.26Å; W45-M82 HydrophobicContact CZ2-CE 3.93Å; W45-M82 HydrophobicContact CZ3-CE 4.15Å; W45-F86 HydrophobicContact CB-CE2 3.72Å; W45-F86 HydrophobicContact CB-CZ 3.65Å; W45-F86 HydrophobicContact CE3-CE2 4.15Å
46H97.5Very high97Very high92 Ų9268.9 Ų68.943%0.42633%0.334SS..Hα-helixtrans-57.2-47.6173.6-178.5-71.8000111.1E42 T48 F49 Y50 F86E42-H46 WeakPolarHBondContact O-CB 3.26Å; E42-H46 PolarHBondContact O-N 3.26Å; H46-T48 VanDerWaalsContact C-N 3.3Å; H46-T48 PolarHBondContact O-N 3.31Å; H46-F49 PolarHBondContact O-N 2.91Å; H46-Y50 AromaticContact CD2-CD2 3.58Å; H46-Y50 AromaticContact CD2-CE2 3.69Å; H46-Y50 AromaticContact CE1-CD2 3.64Å; H46-Y50 AromaticContact CG-CD2 3.79Å; H46-Y50 AromaticContact ND1-CD2 3.83Å; H46-Y50 AromaticContact NE2-CD2 3.51Å; H46-Y50 AromaticContact NE2-CE2 3.8Å; H46-Y50 WeakPolarHBondContact O-CD2 3.14Å; H46-Y50 PolarHBondContact O-N 3.13Å; H46-F86 HydrophobicContact CB-CE1 4.06Å; H46-F86 HydrophobicContact CB-CZ 4.23Å
47H97.2Very high97.2Very high35 Ų3565 Ų6516%0.16231%0.311CS..Hα-helixtrans-59.9-41.4175.5-177.167.6000112.1V13 K43 I44 W45 N51 E52V13-H47 HydrophobicContact CB-CB 4Å; V13-H47 HydrophobicContact CG1-CB 3.86Å; V13-H47 HydrophobicContact CG2-CB 4.26Å; K43-H47 VanDerWaalsContact O-CB 3.29Å; K43-H47 WeakPolarHBondContact O-CB 3.13Å; K43-H47 PolarHBondContact O-N 3.48Å; I44-H47 PolarHBondContact O-N 3.49Å; W45-H47 VanDerWaalsContact C-N 3.32Å; W45-H47 PolarHBondContact O-N 3.3Å; H47-N51 WeakPolarHBondContact CA-OD1 3.27Å; H47-N51 WeakPolarHBondContact ND1-CB 3.46Å; H47-N51 PolarHBondContact ND1-OD1 3.45Å; H47-N51 VanDerWaalsContact ND1-OD1 3.14Å; H47-N51 WeakPolarHBondContact O-CA 3.42Å; H47-N51 VanDerWaalsContact O-CB 3.27Å; H47-N51 WeakPolarHBondContact O-CB 3.44Å; H47-N51 PolarHBondContact O-N 2.86Å; H47-E52 IonicContact CE1-OE1 3.02Å; H47-E52 IonicContact NE2-OE1 3.97Å; H47-E52 PolarHBondContact NE2-OE1 3.1Å; H47-E52 PolarHBondContact O-N 3.28Å
48T97.9Very high97.2Very high50 Ų5067.1 Ų67.131%0.30732%0.319SS..Iπ-helixtrans-61.6-49.7178.9-55.30000111.6I44 W45 H46 E52 L53I44-T48 WeakPolarHBondContact O-CB 3.22Å; I44-T48 PolarHBondContact O-N 2.94Å; I44-T48 PolarHBondContact O-OG1 3.1Å; W45-T48 WeakPolarHBondContact O-CB 3.41Å; W45-T48 PolarHBondContact O-N 3.46Å; W45-T48 VanDerWaalsContact O-N 3.11Å; H46-T48 VanDerWaalsContact C-N 3.3Å; H46-T48 PolarHBondContact O-N 3.31Å; T48-E52 WeakPolarHBondContact O-CB 3.41Å; T48-L53 HydrophobicContact CG2-CD1 4.23Å; T48-L53 WeakPolarHBondContact O-CB 3.41Å; T48-L53 WeakPolarHBondContact O-CG 3.13Å; T48-L53 PolarHBondContact O-N 3.44Å
49F97.9Very high97.2Very high16 Ų1671.9 Ų71.97%0.0734%0.343CS..Iπ-helixtrans-70-51.7-178.9-68.2-58.7000112.2W45 H46 R54 V55 P57 T62 M82 F86W45-F49 HydrophobicContact CB-CE2 4.34Å; W45-F49 WeakPolarHBondContact O-CD2 3.44Å; W45-F49 PolarHBondContact O-N 3.16Å; H46-F49 PolarHBondContact O-N 2.91Å; F49-R54 WeakPolarHBondContact O-CA 3.46Å; F49-R54 PolarHBondContact O-N 3.12Å; F49-V55 HydrophobicContact CD1-CG2 4.2Å; F49-V55 PolarHBondContact O-N 3.11Å; F49-P57 HydrophobicContact CB-CB 4.5Å; F49-P57 HydrophobicContact CB-CG 4.4Å; F49-P57 HydrophobicContact CD1-CB 4.09Å; F49-P57 HydrophobicContact CD2-CB 3.96Å; F49-P57 HydrophobicContact CD2-CG 4.28Å; F49-P57 HydrophobicContact CE1-CB 4.25Å; F49-P57 HydrophobicContact CE2-CB 4.12Å; F49-P57 HydrophobicContact CG-CB 3.94Å; F49-P57 HydrophobicContact CG-CG 4.3Å; F49-P57 HydrophobicContact CZ-CB 4.26Å; F49-T62 HydrophobicContact CE1-CG2 4.43Å; F49-T62 HydrophobicContact CZ-CG2 4.02Å; F49-M82 HydrophobicContact CE2-CE 4.46Å; F49-M82 HydrophobicContact CE2-SD 4.36Å; F49-M82 HydrophobicContact CZ-SD 4.37Å; F49-F86 HydrophobicContact CD2-CD1 4.02Å; F49-F86 HydrophobicContact CD2-CE1 4.19Å; F49-F86 HydrophobicContact CD2-CG 4.45Å; F49-F86 HydrophobicContact CE2-CD1 4.26Å; F49-F86 HydrophobicContact CE2-CG 4.22Å
50Y97.1Very high97.3Very high95 Ų9570.1 Ų70.137%0.37333%0.331SS..Iπ-helixtrans-90.4-29.9-167.3-65-72.3000114.4H46 P57H46-Y50 AromaticContact CD2-CD2 3.58Å; H46-Y50 AromaticContact CD2-CE2 3.69Å; H46-Y50 AromaticContact CE1-CD2 3.64Å; H46-Y50 AromaticContact CG-CD2 3.79Å; H46-Y50 AromaticContact ND1-CD2 3.83Å; H46-Y50 AromaticContact NE2-CD2 3.51Å; H46-Y50 AromaticContact NE2-CE2 3.8Å; H46-Y50 WeakPolarHBondContact O-CD2 3.14Å; H46-Y50 PolarHBondContact O-N 3.13Å; Y50-P57 HydrophobicContact CE2-CG 4.28Å; Y50-P57 WeakPolarHBondContact OH-CD 3.38Å; Y50-P57 WeakPolarHBondContact OH-CG 3.29Å
51N95.4Very high97.3Very high81 Ų8171.8 Ų71.843%0.43334%0.343SS..Iπ-helixtrans-100.2-48.6-177.5-59.9110.9000112.6H47 R54H47-N51 WeakPolarHBondContact CA-OD1 3.27Å; H47-N51 WeakPolarHBondContact ND1-CB 3.46Å; H47-N51 PolarHBondContact ND1-OD1 3.45Å; H47-N51 VanDerWaalsContact ND1-OD1 3.14Å; H47-N51 WeakPolarHBondContact O-CA 3.42Å; H47-N51 VanDerWaalsContact O-CB 3.27Å; H47-N51 WeakPolarHBondContact O-CB 3.44Å; H47-N51 PolarHBondContact O-N 2.86Å; N51-R54 WeakPolarHBondContact O-CG 3.26Å
52E96.6Very high97.3Very high126 Ų12671.9 Ų71.959%0.58934%0.344SS*.Iπ-helixtrans-77.4-61.7-177.4-65.1-60.5128.400111.1H47 T48H47-E52 IonicContact CE1-OE1 3.02Å; H47-E52 IonicContact NE2-OE1 3.97Å; H47-E52 PolarHBondContact NE2-OE1 3.1Å; H47-E52 PolarHBondContact O-N 3.28Å; T48-E52 WeakPolarHBondContact O-CB 3.41Å
53L97.1Very high97.4Very high109 Ų10970.8 Ų70.857%0.57134%0.34SS*.Iπ-helixtrans-80.9-25.7-176.9-62.3179.2000113.1T48 V55T48-L53 HydrophobicContact CG2-CD1 4.23Å; T48-L53 WeakPolarHBondContact O-CB 3.41Å; T48-L53 WeakPolarHBondContact O-CG 3.13Å; T48-L53 PolarHBondContact O-N 3.44Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 HydrophobicContact CB-CG1 4.41Å; L53-V55 HydrophobicContact CB-CG2 3.9Å; L53-V55 PolarHBondContact O-N 3.39Å
54R97.8Very high97.4Very high211 Ų21167.8 Ų67.880%0.79633%0.328SS*.  trans5644.8-177.6-53.4-179.7-177.7-178.90.7112.8F49 N51F49-R54 WeakPolarHBondContact O-CA 3.46Å; F49-R54 PolarHBondContact O-N 3.12Å; N51-R54 WeakPolarHBondContact O-CG 3.26Å
55V97.7Very high97.3Very high43 Ų4367.7 Ų67.726%0.26133%0.33SS..  trans-119.9155.8178.7-62.10000111F49 L53 P57F49-V55 HydrophobicContact CD1-CG2 4.2Å; F49-V55 PolarHBondContact O-N 3.11Å; L53-V55 VanDerWaalsContact C-N 3.33Å; L53-V55 HydrophobicContact CB-CG1 4.41Å; L53-V55 HydrophobicContact CB-CG2 3.9Å; L53-V55 PolarHBondContact O-N 3.39Å; V55-P57 WeakPolarHBondContact O-CD 3.44Å
56A97.5Very high97.2Very high25 Ų2567 Ų6721%0.20733%0.328CS..  trans-86110.9170.800000109E58 E59 H60A56-E58 HydrophobicContact CB-CG 4.28Å; A56-E58 PolarHBondContact O-N 2.97Å; A56-E58 VanDerWaalsContact O-N 3.12Å; A56-E59 HydrophobicContact CB-CG 4.15Å; A56-E59 PolarHBondContact O-N 3.32Å; A56-H60 PolarHBondContact O-CD2 3.11Å; A56-H60 VanDerWaalsContact O-CD2 3.32Å
57P97.8Very high96.9Very high0 Ų062.7 Ų62.70%031%0.308CS..G310 helixtrans-56.8-28.9-176.422.3-32.6000113.5F49 Y50 V55 E59 H60 F86 V88 P89F49-P57 HydrophobicContact CB-CB 4.5Å; F49-P57 HydrophobicContact CB-CG 4.4Å; F49-P57 HydrophobicContact CD1-CB 4.09Å; F49-P57 HydrophobicContact CD2-CB 3.96Å; F49-P57 HydrophobicContact CD2-CG 4.28Å; F49-P57 HydrophobicContact CE1-CB 4.25Å; F49-P57 HydrophobicContact CE2-CB 4.12Å; F49-P57 HydrophobicContact CG-CB 3.94Å; F49-P57 HydrophobicContact CG-CG 4.3Å; F49-P57 HydrophobicContact CZ-CB 4.26Å; Y50-P57 HydrophobicContact CE2-CG 4.28Å; Y50-P57 WeakPolarHBondContact OH-CD 3.38Å; Y50-P57 WeakPolarHBondContact OH-CG 3.29Å; V55-P57 WeakPolarHBondContact O-CD 3.44Å; P57-E59 PolarHBondContact O-N 2.86Å; P57-H60 PolarHBondContact O-N 3.15Å; P57-H60 VanDerWaalsContact O-N 3.15Å; P57-F86 HydrophobicContact CB-CB 4.17Å; P57-F86 HydrophobicContact CG-CB 4.25Å; P57-F86 HydrophobicContact CG-CD1 4.15Å; P57-V88 HydrophobicContact CB-CG1 4.19Å; P57-P89 WeakPolarHBondContact O-CD 3.41Å
58E97.6Very high96.5Very high95 Ų9561.1 Ų61.144%0.44430%0.301SS..G310 helixtrans-64.9-15.9176.362.7-92.5-141.600114.5A56 N87 P89A56-E58 HydrophobicContact CB-CG 4.28Å; A56-E58 PolarHBondContact O-N 2.97Å; A56-E58 VanDerWaalsContact O-N 3.12Å; E58-N87 WeakPolarHBondContact CA-O 3.2Å; E58-N87 HydrophobicContact CB-CB 4.28Å; E58-P89 WeakPolarHBondContact O-CD 3.48Å
59E97.4Very high95.9Very high146 Ų14663.6 Ų63.668%0.68231%0.312SS*.G310 helixtrans-98.4-5.1177.4-60.7-173.2167.800112.9A56 P57A56-E59 HydrophobicContact CB-CG 4.15Å; A56-E59 PolarHBondContact O-N 3.32Å; P57-E59 PolarHBondContact O-N 2.86Å
60H97.4Very high95.5Very high81 Ų8163.5 Ų63.538%0.37531%0.312SS..SBendtrans-129.7121.9-167.9-70.8-77.4000114A56 P57 T62 P89A56-H60 PolarHBondContact O-CD2 3.11Å; A56-H60 VanDerWaalsContact O-CD2 3.32Å; P57-H60 PolarHBondContact O-N 3.15Å; P57-H60 VanDerWaalsContact O-N 3.15Å; H60-T62 PolarHBondContact O-N 3.34Å; H60-T62 PolarHBondContact O-OG1 3.44Å; H60-P89 WeakPolarHBondContact O-CD 3.3Å
61P97.2Very high95.3Very high60 Ų6061.9 Ų61.939%0.3931%0.313SS..  trans-58135.2165.2-22.933.8000111.3P89 A90 W315P61-P89 HydrophobicContact CG-CG 4.35Å; P61-A90 CarbonylContact C-O 3.43Å; P61-A90 VanDerWaalsContact CA-O 3.26Å; P61-A90 WeakPolarHBondContact CA-O 3.23Å; P61-A90 HydrophobicContact CB-CB 4.29Å; P61-W315 HydrophobicContact CB-CD2 4.39Å; P61-W315 HydrophobicContact CB-CE3 3.82Å; P61-W315 HydrophobicContact CB-CH2 3.69Å; P61-W315 HydrophobicContact CB-CZ2 4.27Å; P61-W315 HydrophobicContact CB-CZ3 3.45Å; P61-W315 VanDerWaalsContact CB-CZ3 3.45Å; P61-W315 HydrophobicContact CG-CE3 4.06Å; P61-W315 HydrophobicContact CG-CH2 3.74Å; P61-W315 HydrophobicContact CG-CZ3 3.33Å
62T97.8Very high95.2Very high17 Ų1765 Ų6510%0.10432%0.323CS..EExtended strand (participates in β ladder)trans-117.7120.3-171.7-610000112.1F49 H60 L64 M82 A90 M91 Y92F49-T62 HydrophobicContact CE1-CG2 4.43Å; F49-T62 HydrophobicContact CZ-CG2 4.02Å; H60-T62 PolarHBondContact O-N 3.34Å; H60-T62 PolarHBondContact O-OG1 3.44Å; T62-L64 HydrophobicContact CG2-CD2 4.12Å; T62-L64 HydrophobicContact CG2-CG 4.01Å; T62-M82 HydrophobicContact CG2-SD 4.39Å; T62-A90 PolarHBondContact N-O 2.93Å; T62-M91 CarbonylContact O-C 3.58Å; T62-M91 WeakPolarHBondContact O-CA 3.35Å; T62-M91 VanDerWaalsContact O-CB 3.27Å; T62-M91 WeakPolarHBondContact O-CB 3.35Å; T62-Y92 PolarHBondContact O-N 3.2Å
63L97.8Very high95.2Very high45 Ų4562 Ų6224%0.23632%0.319CS..EExtended strand (participates in β ladder)trans-92.4123.1167.5-174.8155.4000109.4T65 Y92 L99 L305 A306 F311L63-T65 HydrophobicContact CD2-CG2 4.15Å; L63-Y92 WeakPolarHBondContact CA-O 3.39Å; L63-L99 HydrophobicContact CD2-CD1 4.23Å; L63-L305 HydrophobicContact CD1-CD2 4.26Å; L63-A306 HydrophobicContact CD1-CB 4.22Å; L63-F311 HydrophobicContact CD1-CE1 3.85Å; L63-F311 HydrophobicContact CD1-CZ 3.89Å
64L97.5Very high95.1Very high21 Ų2158 Ų5811%0.1130%0.299CS..EExtended strand (participates in β ladder)trans-110.6160.5174.5-66.5165.1000110.6T62 M78 M82 M91 Y92 V93 A94T62-L64 HydrophobicContact CG2-CD2 4.12Å; T62-L64 HydrophobicContact CG2-CG 4.01Å; L64-M78 HydrophobicContact CB-SD 3.94Å; L64-M78 HydrophobicContact CD1-CG 3.75Å; L64-M78 HydrophobicContact CD1-SD 3.69Å; L64-M78 HydrophobicContact CG-SD 4.36Å; L64-M82 HydrophobicContact CD1-CE 3.63Å; L64-M82 HydrophobicContact CD1-CG 3.57Å; L64-M82 HydrophobicContact CD1-SD 3.83Å; L64-M82 HydrophobicContact CD2-CE 3.84Å; L64-M82 HydrophobicContact CG-CE 4.35Å; L64-M91 HydrophobicContact CD1-CE 3.68Å; L64-Y92 PolarHBondContact N-O 3.04Å; L64-V93 HydrophobicContact CB-CG2 4.49Å; L64-V93 WeakPolarHBondContact O-CA 3.39Å; L64-A94 PolarHBondContact O-N 3.4Å
65T96.3Very high95Very high51 Ų5149.6 Ų49.631%0.31327%0.267SS..EExtended strand (participates in β ladder)trans-121.8151176.274.30000110.7L63 A94 L99 V298L63-T65 HydrophobicContact CD2-CG2 4.15Å; T65-A94 VanDerWaalsContact CA-O 3.24Å; T65-A94 WeakPolarHBondContact CA-O 3.43Å; T65-L99 HydrophobicContact CG2-CD1 3.58Å; T65-V298 HydrophobicContact CG2-CG1 3.97Å
66E94.3Very high95Very high9 Ų950.5 Ų50.54%0.04227%0.269CS..EExtended strand (participates in β ladder)trans-137.9159.7173.362.2167-146.700111.8N70 R75 V93 A94 Q96E66-N70 HydrophobicContact CB-CB 4.34Å; E66-N70 HydrophobicContact CG-CB 4.48Å; E66-N70 PolarHBondContact OE2-ND2 2.96Å; E66-R75 IonicContact OE1-CZ 3.96Å; E66-R75 IonicContact OE1-NE 2.7Å; E66-R75 PolarHBondContact OE1-NE 3.3Å; E66-R75 IonicContact OE1-NH2 3.23Å; E66-R75 PolarHBondContact OE1-NH2 2.94Å; E66-R75 WeakPolarHBondContact OE2-CG 3.38Å; E66-R75 IonicContact OE2-CZ 3.78Å; E66-R75 IonicContact OE2-NE 3.8Å; E66-R75 PolarHBondContact OE2-NE 3.05Å; E66-R75 IonicContact OE2-NH2 2.74Å; E66-V93 HydrophobicContact CB-CG1 4.16Å; E66-V93 HydrophobicContact CG-CG1 3.62Å; E66-A94 PolarHBondContact N-O 3.11Å; E66-Q96 VanDerWaalsContact O-CG 3.3Å; E66-Q96 WeakPolarHBondContact O-CG 3.39Å; E66-Q96 PolarHBondContact O-N 3.03Å
67A91.4Very high95Very high1 Ų152.8 Ų52.81%0.00827%0.274CS..  trans-66.9149.6172.700000111N70A67-N70 WeakPolarHBondContact O-CB 3.4Å; A67-N70 PolarHBondContact O-N 2.87Å
68P89Confident95Very high1 Ų153.2 Ų53.21%0.00628%0.276CS..THydrogen-bonded Turntrans-53.7143.8168.2-22.232.4000111.7N70 I95 H120 V122 I134P68-N70 PolarHBondContact O-N 2.81Å; P68-I95 HydrophobicContact CG-CG2 4.05Å; P68-H120 HydrophobicContact CG-CB 4.09Å; P68-V122 HydrophobicContact CB-CG2 4.07Å; P68-V122 HydrophobicContact CG-CG2 3.49Å; P68-V122 VanDerWaalsContact CG-CG2 3.49Å; P68-I134 HydrophobicContact CB-CD1 4.16Å; P68-I134 HydrophobicContact CB-CG2 4.03Å
69L86.3Confident95Very high102 Ų10248.7 Ų48.753%0.53426%0.255SS..THydrogen-bonded Turntrans59.225.9179.6-51.3174.2000114.4I134L69-I134 HydrophobicContact CD1-CB 4.27Å; L69-I134 HydrophobicContact CD1-CG2 3.96Å; L69-I134 HydrophobicContact CD2-CD1 4.24Å; L69-I134 HydrophobicContact CG-CD1 4.34Å; L69-I134 HydrophobicContact CG-CG2 4.21Å
70N89.4Confident95Very high14 Ų1444.4 Ų44.48%0.07524%0.235CC..  trans-56.4134.6172.3-171.533.2000110.8E66 A67 P68 K72E66-N70 HydrophobicContact CB-CB 4.34Å; E66-N70 HydrophobicContact CG-CB 4.48Å; E66-N70 PolarHBondContact OE2-ND2 2.96Å; A67-N70 WeakPolarHBondContact O-CB 3.4Å; A67-N70 PolarHBondContact O-N 2.87Å; P68-N70 PolarHBondContact O-N 2.81Å; N70-K72 PolarHBondContact O-N 2.85Å
71P92.7Very high95Very high62 Ų6240.8 Ų40.840%0.40322%0.218SC..  trans-52.3134.5175.2-29.936.2000112A73 N74 R75P71-A73 PolarHBondContact O-N 2.94Å; P71-N74 HydrophobicContact CB-CB 4.38Å; P71-N74 WeakPolarHBondContact O-CB 3.48Å; P71-N74 PolarHBondContact O-N 2.57Å; P71-R75 PolarHBondContact O-N 3.34Å
72K93.8Very high95.1Very high145 Ų14538 Ų3863%0.6320%0.2SC*.Hα-helixtrans-53.9-43.2-179.7-73.2-169.7179.8-1760112.5N70 N74 R75 E76 H330N70-K72 PolarHBondContact O-N 2.85Å; K72-N74 VanDerWaalsContact C-N 3.26Å; K72-N74 PolarHBondContact O-N 3.38Å; K72-R75 WeakPolarHBondContact O-CB 3.34Å; K72-R75 PolarHBondContact O-N 3.36Å; K72-R75 VanDerWaalsContact O-N 3.08Å; K72-E76 PolarHBondContact O-N 3.38Å; K72-H330 WeakPolarHBondContact CB-NE2 3.31Å
73A95.7Very high95.1Very high63 Ų6337.1 Ų37.152%0.52120%0.195SC..Hα-helixtrans-58.7-35.3176.500000113.1P71 E76 K77P71-A73 PolarHBondContact O-N 2.94Å; A73-E76 PolarHBondContact O-N 2.91Å; A73-K77 VanDerWaalsContact O-CB 3.32Å; A73-K77 WeakPolarHBondContact O-CB 3.42Å; A73-K77 PolarHBondContact O-N 2.99Å
74N95.4Very high95.1Very high27 Ų2739.7 Ų39.714%0.14421%0.205CC..Hα-helixtrans-70.1-40.4176.3-76.815.4000111.2I34 I35 W38 P71 K72 K77 M78I34-N74 VanDerWaalsContact CG2-ND2 3.26Å; I34-N74 WeakPolarHBondContact CG2-ND2 3.39Å; I35-N74 PolarHBondContact O-ND2 3.24Å; W38-N74 HydrophobicContact CH2-CB 4.35Å; W38-N74 WeakPolarHBondContact CH2-O 3.21Å; W38-N74 HydrophobicContact CZ2-CB 3.91Å; P71-N74 HydrophobicContact CB-CB 4.38Å; P71-N74 WeakPolarHBondContact O-CB 3.48Å; P71-N74 PolarHBondContact O-N 2.57Å; K72-N74 VanDerWaalsContact C-N 3.26Å; K72-N74 PolarHBondContact O-N 3.38Å; N74-K77 PolarHBondContact O-N 3.21Å; N74-M78 WeakPolarHBondContact O-CB 3.36Å; N74-M78 PolarHBondContact O-N 3.43Å
75R95.5Very high95.1Very high33 Ų3341.9 Ų41.913%0.12522%0.22CC..Hα-helixtrans-61.4-45.7174.7-164.1-176.2-62.2168.92.8111E66 P71 K72 K77 M78 T79 V93 V329 C333E66-R75 IonicContact OE1-CZ 3.96Å; E66-R75 IonicContact OE1-NE 2.7Å; E66-R75 PolarHBondContact OE1-NE 3.3Å; E66-R75 IonicContact OE1-NH2 3.23Å; E66-R75 PolarHBondContact OE1-NH2 2.94Å; E66-R75 WeakPolarHBondContact OE2-CG 3.38Å; E66-R75 IonicContact OE2-CZ 3.78Å; E66-R75 IonicContact OE2-NE 3.8Å; E66-R75 PolarHBondContact OE2-NE 3.05Å; E66-R75 IonicContact OE2-NH2 2.74Å; P71-R75 PolarHBondContact O-N 3.34Å; K72-R75 WeakPolarHBondContact O-CB 3.34Å; K72-R75 PolarHBondContact O-N 3.36Å; K72-R75 VanDerWaalsContact O-N 3.08Å; R75-K77 PolarHBondContact O-N 3.16Å; R75-M78 PolarHBondContact O-N 3.45Å; R75-T79 PolarHBondContact O-N 3.08Å; R75-T79 PolarHBondContact O-OG1 3.22Å; R75-T79 VanDerWaalsContact O-OG1 3.11Å; R75-V93 HydrophobicContact CG-CG1 4.31Å; R75-V329 HydrophobicContact CB-CG1 4.44Å; R75-V329 HydrophobicContact CG-CG1 3.85Å; R75-V329 HydrophobicContact CG-CG2 3.82Å; R75-C333 PolarHBondContact NH1-O 3.2Å
76E97.3Very high95.2Very high63 Ų6339.8 Ų39.829%0.29421%0.206SC..Hα-helixtrans-61.1-42.9174.8-70.9179.5162.400112.1K72 A73 T79 Q80 P326 V329 H330K72-E76 PolarHBondContact O-N 3.38Å; A73-E76 PolarHBondContact O-N 2.91Å; E76-T79 WeakPolarHBondContact O-CB 3.47Å; E76-T79 PolarHBondContact O-N 3.4Å; E76-Q80 WeakPolarHBondContact O-CB 3.2Å; E76-Q80 PolarHBondContact O-N 2.97Å; E76-P326 HydrophobicContact CB-CB 3.77Å; E76-P326 HydrophobicContact CG-CB 4.07Å; E76-V329 HydrophobicContact CG-CG1 4.34Å; E76-H330 WeakPolarHBondContact CG-NE2 3.37Å; E76-H330 IonicContact OE1-CD2 3.84Å; E76-H330 PolarHBondContact OE1-CD2 2.84Å; E76-H330 IonicContact OE1-NE2 2.78Å; E76-H330 PolarHBondContact OE1-NE2 3.12Å
77K97.5Very high95.4Very high73 Ų7343.9 Ų43.932%0.31723%0.229SC..Hα-helixtrans-65.9-39.2179.4-174.361.5-177.2174.60112.6W38 A73 N74 R75 Q80 I81W38-K77 HydrophobicContact CD2-CB 4.42Å; W38-K77 HydrophobicContact CD2-CG 3.56Å; W38-K77 HydrophobicContact CE3-CG 3.83Å; W38-K77 HydrophobicContact CG-CG 4.11Å; W38-K77 HydrophobicContact CH2-CB 3.84Å; W38-K77 HydrophobicContact CH2-CG 3.99Å; W38-K77 HydrophobicContact CZ2-CB 3.7Å; W38-K77 HydrophobicContact CZ2-CG 3.77Å; W38-K77 HydrophobicContact CZ3-CB 4.26Å; W38-K77 HydrophobicContact CZ3-CG 4Å; A73-K77 VanDerWaalsContact O-CB 3.32Å; A73-K77 WeakPolarHBondContact O-CB 3.42Å; A73-K77 PolarHBondContact O-N 2.99Å; N74-K77 PolarHBondContact O-N 3.21Å; R75-K77 PolarHBondContact O-N 3.16Å; K77-Q80 WeakPolarHBondContact O-CB 3.48Å; K77-Q80 PolarHBondContact O-N 3.38Å; K77-I81 HydrophobicContact CG-CD1 4.22Å; K77-I81 WeakPolarHBondContact O-CG1 3.39Å; K77-I81 PolarHBondContact O-N 3.09Å
78M96.9Very high95.7Very high8 Ų843.9 Ų43.94%0.03923%0.228CC..Hα-helixtrans-60.9-46.4172.2179.3-175.4-57.300111.1I35 W38 W45 L64 N74 R75 Q80 I81 M82 V93I35-M78 HydrophobicContact CD1-CE 3.73Å; W38-M78 HydrophobicContact CH2-CB 4.04Å; W38-M78 HydrophobicContact CZ3-CB 4.05Å; W45-M78 HydrophobicContact CH2-CB 4.28Å; W45-M78 HydrophobicContact CH2-CE 4.45Å; W45-M78 HydrophobicContact CH2-CG 3.73Å; W45-M78 HydrophobicContact CZ2-CE 4.29Å; W45-M78 HydrophobicContact CZ2-CG 4.01Å; W45-M78 HydrophobicContact CZ2-SD 4.45Å; L64-M78 HydrophobicContact CB-SD 3.94Å; L64-M78 HydrophobicContact CD1-CG 3.75Å; L64-M78 HydrophobicContact CD1-SD 3.69Å; L64-M78 HydrophobicContact CG-SD 4.36Å; N74-M78 WeakPolarHBondContact O-CB 3.36Å; N74-M78 PolarHBondContact O-N 3.43Å; R75-M78 PolarHBondContact O-N 3.45Å; M78-Q80 VanDerWaalsContact C-N 3.33Å; M78-Q80 PolarHBondContact O-N 3.15Å; M78-I81 PolarHBondContact O-N 3.25Å; M78-M82 VanDerWaalsContact O-CG 3.27Å; M78-M82 WeakPolarHBondContact O-CG 3.39Å; M78-M82 PolarHBondContact O-N 2.89Å; M78-M82 VanDerWaalsContact O-N 3.11Å; M78-V93 HydrophobicContact SD-CG2 4.34Å
79T97.4Very high96.1Very high0 Ų046.2 Ų46.20%024%0.243CC..Hα-helixtrans-60.3-43.4175.6-62.60000111.8R75 E76 M82 F83 M91 Y321 V329R75-T79 PolarHBondContact O-N 3.08Å; R75-T79 PolarHBondContact O-OG1 3.22Å; R75-T79 VanDerWaalsContact O-OG1 3.11Å; E76-T79 WeakPolarHBondContact O-CB 3.47Å; E76-T79 PolarHBondContact O-N 3.4Å; T79-M82 PolarHBondContact O-N 2.98Å; T79-F83 HydrophobicContact CG2-CD2 3.72Å; T79-F83 HydrophobicContact CG2-CE2 3.82Å; T79-F83 WeakPolarHBondContact O-CD2 3.41Å; T79-F83 PolarHBondContact O-N 2.83Å; T79-F83 VanDerWaalsContact O-N 3.15Å; T79-M91 HydrophobicContact CG2-SD 3.94Å; T79-Y321 HydrophobicContact CG2-CD2 3.8Å; T79-Y321 HydrophobicContact CG2-CE2 3.86Å; T79-V329 HydrophobicContact CG2-CB 4.5Å
80Q97.9Very high96.7Very high57 Ų5741.8 Ų41.827%0.26622%0.222SC..Hα-helixtrans-57-53176.6-171.9-168.16.100111.2E76 K77 M78 M82 F83 E84 P326E76-Q80 WeakPolarHBondContact O-CB 3.2Å; E76-Q80 PolarHBondContact O-N 2.97Å; K77-Q80 WeakPolarHBondContact O-CB 3.48Å; K77-Q80 PolarHBondContact O-N 3.38Å; M78-Q80 VanDerWaalsContact C-N 3.33Å; M78-Q80 PolarHBondContact O-N 3.15Å; Q80-M82 VanDerWaalsContact C-N 3.31Å; Q80-M82 PolarHBondContact O-N 3.3Å; Q80-F83 PolarHBondContact O-N 3.44Å; Q80-E84 HydrophobicContact CG-CG 4.15Å; Q80-E84 WeakPolarHBondContact CG-OE2 3.39Å; Q80-E84 PolarHBondContact NE2-OE2 2.99Å; Q80-E84 VanDerWaalsContact O-CB 3.27Å; Q80-E84 WeakPolarHBondContact O-CB 3.27Å; Q80-E84 WeakPolarHBondContact O-CG 3.26Å; Q80-E84 PolarHBondContact O-N 2.89Å; Q80-P326 HydrophobicContact CB-CG 4.43Å
81I98.1Very high97Very high5 Ų541.1 Ų41.13%0.02622%0.218CC..Hα-helixtrans-60.7-41.8-177.6-69.3165.4000111.2W38 E42 W45 K77 M78 F83 T85 F86W38-I81 HydrophobicContact CB-CD1 4.46Å; W38-I81 HydrophobicContact CD2-CD1 4.18Å; W38-I81 HydrophobicContact CE3-CD1 3.35Å; W38-I81 HydrophobicContact CZ3-CD1 3.92Å; E42-I81 HydrophobicContact CG-CG2 4.33Å; W45-I81 HydrophobicContact CE3-CG2 4.03Å; W45-I81 HydrophobicContact CZ3-CB 4.37Å; W45-I81 HydrophobicContact CZ3-CD1 4.15Å; W45-I81 HydrophobicContact CZ3-CG2 3.98Å; K77-I81 HydrophobicContact CG-CD1 4.22Å; K77-I81 WeakPolarHBondContact O-CG1 3.39Å; K77-I81 PolarHBondContact O-N 3.09Å; M78-I81 PolarHBondContact O-N 3.25Å; I81-F83 PolarHBondContact O-N 2.93Å; I81-T85 WeakPolarHBondContact O-CA 3.37Å; I81-T85 WeakPolarHBondContact O-CB 3.47Å; I81-T85 PolarHBondContact O-N 3.36Å; I81-F86 HydrophobicContact CG2-CD2 3.82Å; I81-F86 HydrophobicContact CG2-CE2 3.62Å; I81-F86 PolarHBondContact O-N 3.42Å; I81-F86 VanDerWaalsContact O-N 3.1Å
82M98.3Very high97.3Very high0 Ų039.2 Ų39.20%020%0.203CC..Hα-helixtrans-63.3-42-179.7-71.1-73.3159.900112.6W45 F49 T62 L64 M78 T79 Q80 F86 N87 V88 M91W45-M82 HydrophobicContact CB-CE 4.33Å; W45-M82 HydrophobicContact CD2-CE 3.33Å; W45-M82 VanDerWaalsContact CE2-CE 3.45Å; W45-M82 HydrophobicContact CE3-CE 3.7Å; W45-M82 HydrophobicContact CG-CE 3.64Å; W45-M82 HydrophobicContact CH2-CE 4.26Å; W45-M82 HydrophobicContact CZ2-CE 3.93Å; W45-M82 HydrophobicContact CZ3-CE 4.15Å; F49-M82 HydrophobicContact CE2-CE 4.46Å; F49-M82 HydrophobicContact CE2-SD 4.36Å; F49-M82 HydrophobicContact CZ-SD 4.37Å; T62-M82 HydrophobicContact CG2-SD 4.39Å; L64-M82 HydrophobicContact CD1-CE 3.63Å; L64-M82 HydrophobicContact CD1-CG 3.57Å; L64-M82 HydrophobicContact CD1-SD 3.83Å; L64-M82 HydrophobicContact CD2-CE 3.84Å; L64-M82 HydrophobicContact CG-CE 4.35Å; M78-M82 VanDerWaalsContact O-CG 3.27Å; M78-M82 WeakPolarHBondContact O-CG 3.39Å; M78-M82 PolarHBondContact O-N 2.89Å; M78-M82 VanDerWaalsContact O-N 3.11Å; T79-M82 PolarHBondContact O-N 2.98Å; Q80-M82 VanDerWaalsContact C-N 3.31Å; Q80-M82 PolarHBondContact O-N 3.3Å; M82-F86 HydrophobicContact CE-CD2 4.44Å; M82-F86 CarbonylContact O-C 3.52Å; M82-F86 HydrophobicContact SD-CD2 4.24Å; M82-N87 PolarHBondContact O-N 3.45Å; M82-N87 VanDerWaalsContact O-N 3.11Å; M82-V88 HydrophobicContact CB-CG2 3.99Å; M82-V88 WeakPolarHBondContact O-CG2 3.47Å; M82-V88 PolarHBondContact O-N 3.08Å; M82-V88 VanDerWaalsContact O-N 3.1Å; M82-V88 HydrophobicContact SD-CG1 4.43Å; M82-M91 HydrophobicContact CB-CE 4.21Å; M82-M91 HydrophobicContact CB-SD 3.6Å; M82-M91 VanDerWaalsContact CB-SD 3.6Å; M82-M91 HydrophobicContact CG-CE 4.15Å; M82-M91 HydrophobicContact CG-SD 4.19Å
83F98.4Very high97.4Very high0 Ų032.5 Ų32.50%017%0.174CC..Hα-helixtrans-86.4-31.4-178.8-76.8-58.3000115T79 Q80 I81 N87 V88 M91 I316 K318 Y321T79-F83 HydrophobicContact CG2-CD2 3.72Å; T79-F83 HydrophobicContact CG2-CE2 3.82Å; T79-F83 WeakPolarHBondContact O-CD2 3.41Å; T79-F83 PolarHBondContact O-N 2.83Å; T79-F83 VanDerWaalsContact O-N 3.15Å; Q80-F83 PolarHBondContact O-N 3.44Å; I81-F83 PolarHBondContact O-N 2.93Å; F83-N87 PolarHBondContact O-OD1 2.76Å; F83-V88 HydrophobicContact CD1-CG2 3.86Å; F83-V88 VanDerWaalsContact CD1-O 3.29Å; F83-V88 WeakPolarHBondContact CD1-O 3.48Å; F83-V88 HydrophobicContact CE1-CG2 3.98Å; F83-V88 WeakPolarHBondContact CE1-O 3.09Å; F83-M91 HydrophobicContact CD2-CG 4.4Å; F83-M91 HydrophobicContact CD2-SD 3.87Å; F83-M91 HydrophobicContact CE1-CG 4.4Å; F83-M91 HydrophobicContact CE2-CG 3.57Å; F83-M91 HydrophobicContact CE2-SD 3.58Å; F83-M91 VanDerWaalsContact CE2-SD 3.58Å; F83-M91 HydrophobicContact CZ-CG 3.59Å; F83-M91 HydrophobicContact CZ-SD 4.14Å; F83-I316 HydrophobicContact CE2-CB 4.48Å; F83-I316 HydrophobicContact CE2-CG2 3.83Å; F83-I316 HydrophobicContact CZ-CB 4.28Å; F83-I316 HydrophobicContact CZ-CG2 3.84Å; F83-I316 WeakPolarHBondContact CZ-O 3.46Å; F83-K318 HydrophobicContact CB-CD 4.22Å; F83-K318 HydrophobicContact CD1-CB 4.22Å; F83-K318 HydrophobicContact CD1-CD 3.67Å; F83-K318 HydrophobicContact CE1-CB 4.1Å; F83-K318 HydrophobicContact CE1-CD 4.36Å; F83-K318 HydrophobicContact CG-CD 4.24Å; F83-K318 PolarHBondContact O-NZ 2.88Å; F83-Y321 HydrophobicContact CB-CD1 3.74Å; F83-Y321 HydrophobicContact CB-CD2 4.34Å; F83-Y321 HydrophobicContact CB-CE1 3.8Å; F83-Y321 HydrophobicContact CB-CE2 4.36Å; F83-Y321 HydrophobicContact CB-CG 4.02Å; F83-Y321 HydrophobicContact CD2-CD1 4.01Å; F83-Y321 AromaticContact CD2-CD2 3.3Å; F83-Y321 HydrophobicContact CD2-CD2 3.3Å; F83-Y321 AromaticContact CD2-CE2 3.87Å; F83-Y321 HydrophobicContact CD2-CE2 3.87Å; F83-Y321 AromaticContact CD2-CG 3.36Å; F83-Y321 HydrophobicContact CD2-CG 3.36Å; F83-Y321 AromaticContact CE2-CD2 3.8Å; F83-Y321 HydrophobicContact CE2-CD2 3.8Å; F83-Y321 AromaticContact CE2-CG 3.84Å; F83-Y321 HydrophobicContact CE2-CG 3.84Å; F83-Y321 AromaticContact CG-CD1 3.97Å; F83-Y321 HydrophobicContact CG-CD1 3.97Å; F83-Y321 HydrophobicContact CG-CD2 4.09Å; F83-Y321 HydrophobicContact CG-CE1 4.46Å; F83-Y321 AromaticContact CG-CG 3.77Å; F83-Y321 HydrophobicContact CG-CG 3.77Å
84E98.1Very high97.4Very high98 Ų9829.8 Ų29.846%0.45815%0.152SC..Hα-helixtrans-96.2-34.1-175-64.4-179-172.700112.8Q80 Y321Q80-E84 HydrophobicContact CG-CG 4.15Å; Q80-E84 WeakPolarHBondContact CG-OE2 3.39Å; Q80-E84 PolarHBondContact NE2-OE2 2.99Å; Q80-E84 VanDerWaalsContact O-CB 3.27Å; Q80-E84 WeakPolarHBondContact O-CB 3.27Å; Q80-E84 WeakPolarHBondContact O-CG 3.26Å; Q80-E84 PolarHBondContact O-N 2.89Å; E84-Y321 HydrophobicContact CG-CE1 4.09Å; E84-Y321 PolarHBondContact OE1-OH 2.82Å
85T97.8Very high97.3Very high67 Ų6729.3 Ų29.341%0.41115%0.149SC..THydrogen-bonded Turntrans-97.4-48.1-179.4-53.50000111.5E42 I81E42-T85 HydrophobicContact CG-CG2 4.4Å; E42-T85 WeakPolarHBondContact OE1-CG2 3.42Å; I81-T85 WeakPolarHBondContact O-CA 3.37Å; I81-T85 WeakPolarHBondContact O-CB 3.47Å; I81-T85 PolarHBondContact O-N 3.36Å
86F98Very high97.3Very high8 Ų830 Ų304%0.03515%0.153CC..SBendtrans-92.6-5.7-177.9-66.4-68.8000114.2E42 W45 H46 F49 P57 I81 M82 V88E42-F86 HydrophobicContact CG-CE2 4.01Å; E42-F86 HydrophobicContact CG-CZ 3.86Å; W45-F86 HydrophobicContact CB-CE2 3.72Å; W45-F86 HydrophobicContact CB-CZ 3.65Å; W45-F86 HydrophobicContact CE3-CE2 4.15Å; H46-F86 HydrophobicContact CB-CE1 4.06Å; H46-F86 HydrophobicContact CB-CZ 4.23Å; F49-F86 HydrophobicContact CD2-CD1 4.02Å; F49-F86 HydrophobicContact CD2-CE1 4.19Å; F49-F86 HydrophobicContact CD2-CG 4.45Å; F49-F86 HydrophobicContact CE2-CD1 4.26Å; F49-F86 HydrophobicContact CE2-CG 4.22Å; P57-F86 HydrophobicContact CB-CB 4.17Å; P57-F86 HydrophobicContact CG-CB 4.25Å; P57-F86 HydrophobicContact CG-CD1 4.15Å; I81-F86 HydrophobicContact CG2-CD2 3.82Å; I81-F86 HydrophobicContact CG2-CE2 3.62Å; I81-F86 PolarHBondContact O-N 3.42Å; I81-F86 VanDerWaalsContact O-N 3.1Å; M82-F86 HydrophobicContact CE-CD2 4.44Å; M82-F86 CarbonylContact O-C 3.52Å; M82-F86 HydrophobicContact SD-CD2 4.24Å; F86-V88 HydrophobicContact CB-CG1 4.14Å; F86-V88 PolarHBondContact O-N 3.41Å; F86-V88 VanDerWaalsContact O-N 3.12Å
87N98Very high97.2Very high95 Ų9527 Ų2751%0.50814%0.14SC..  trans50.235.4177.6-67.6-32.4000114.6E58 M82 F83E58-N87 WeakPolarHBondContact CA-O 3.2Å; E58-N87 HydrophobicContact CB-CB 4.28Å; M82-N87 PolarHBondContact O-N 3.45Å; M82-N87 VanDerWaalsContact O-N 3.11Å; F83-N87 PolarHBondContact O-OD1 2.76Å
88V98.3Very high97.1Very high0 Ų024.4 Ų24.40%013%0.13CC..  trans-61.5140.8-179.2-570000110.8P57 M82 F83 F86 A90 M91P57-V88 HydrophobicContact CB-CG1 4.19Å; M82-V88 HydrophobicContact CB-CG2 3.99Å; M82-V88 WeakPolarHBondContact O-CG2 3.47Å; M82-V88 PolarHBondContact O-N 3.08Å; M82-V88 VanDerWaalsContact O-N 3.1Å; M82-V88 HydrophobicContact SD-CG1 4.43Å; F83-V88 HydrophobicContact CD1-CG2 3.86Å; F83-V88 VanDerWaalsContact CD1-O 3.29Å; F83-V88 WeakPolarHBondContact CD1-O 3.48Å; F83-V88 HydrophobicContact CE1-CG2 3.98Å; F83-V88 WeakPolarHBondContact CE1-O 3.09Å; F86-V88 HydrophobicContact CB-CG1 4.14Å; F86-V88 PolarHBondContact O-N 3.41Å; F86-V88 VanDerWaalsContact O-N 3.12Å; V88-A90 VanDerWaalsContact C-N 3.32Å; V88-A90 PolarHBondContact O-N 2.93Å; V88-M91 HydrophobicContact CG2-CB 4.17Å
89P97.6Very high97.1Very high50 Ų5024 Ų2433%0.32513%0.128SC..SBendtrans-70.3-32.1-177.226.9-34.3000112.2P57 E58 H60 P61 K318P57-P89 WeakPolarHBondContact O-CD 3.41Å; E58-P89 WeakPolarHBondContact O-CD 3.48Å; H60-P89 WeakPolarHBondContact O-CD 3.3Å; P61-P89 HydrophobicContact CG-CG 4.35Å; P89-K318 PolarHBondContact O-N 2.89Å
90A97.6Very high97.1Very high9 Ų924 Ų247%0.07413%0.128CC..EExtended strand (participates in β ladder)trans-157157.9175.700000110.5P61 T62 V88 W315 I316P61-A90 CarbonylContact C-O 3.43Å; P61-A90 VanDerWaalsContact CA-O 3.26Å; P61-A90 WeakPolarHBondContact CA-O 3.23Å; P61-A90 HydrophobicContact CB-CB 4.29Å; T62-A90 PolarHBondContact N-O 2.93Å; V88-A90 VanDerWaalsContact C-N 3.32Å; V88-A90 PolarHBondContact O-N 2.93Å; A90-W315 HydrophobicContact CB-CB 4.17Å; A90-W315 HydrophobicContact CB-CE3 3.93Å; A90-I316 CarbonylContact C-O 3.57Å; A90-I316 WeakPolarHBondContact CA-O 3.24Å; A90-I316 WeakPolarHBondContact CB-O 3.35Å
91M97.6Very high97Very high1 Ų121.4 Ų21.41%0.00512%0.116CC..EExtended strand (participates in β ladder)trans-148166.6174.367.9176.7-71.200113.4T62 L64 T79 M82 F83 V88 V93 I316T62-M91 CarbonylContact O-C 3.58Å; T62-M91 WeakPolarHBondContact O-CA 3.35Å; T62-M91 VanDerWaalsContact O-CB 3.27Å; T62-M91 WeakPolarHBondContact O-CB 3.35Å; L64-M91 HydrophobicContact CD1-CE 3.68Å; T79-M91 HydrophobicContact CG2-SD 3.94Å; M82-M91 HydrophobicContact CB-CE 4.21Å; M82-M91 HydrophobicContact CB-SD 3.6Å; M82-M91 VanDerWaalsContact CB-SD 3.6Å; M82-M91 HydrophobicContact CG-CE 4.15Å; M82-M91 HydrophobicContact CG-SD 4.19Å; F83-M91 HydrophobicContact CD2-CG 4.4Å; F83-M91 HydrophobicContact CD2-SD 3.87Å; F83-M91 HydrophobicContact CE1-CG 4.4Å; F83-M91 HydrophobicContact CE2-CG 3.57Å; F83-M91 HydrophobicContact CE2-SD 3.58Å; F83-M91 VanDerWaalsContact CE2-SD 3.58Å; F83-M91 HydrophobicContact CZ-CG 3.59Å; F83-M91 HydrophobicContact CZ-SD 4.14Å; V88-M91 HydrophobicContact CG2-CB 4.17Å; M91-V93 HydrophobicContact CE-CG2 3.7Å; M91-I316 PolarHBondContact N-O 3.07Å; M91-I316 PolarHBondContact O-N 3.45Å
92Y97.1Very high96.7Very high22 Ų2225.4 Ų25.49%0.08613%0.131CC..EExtended strand (participates in β ladder)trans-144.6145.3168.6-170.5-94.4000110.3T62 L63 L64 A94 F311 M314 C333T62-Y92 PolarHBondContact O-N 3.2Å; L63-Y92 WeakPolarHBondContact CA-O 3.39Å; L64-Y92 PolarHBondContact N-O 3.04Å; Y92-A94 HydrophobicContact CD1-CB 4.1Å; Y92-A94 HydrophobicContact CE1-CB 3.94Å; Y92-F311 AromaticContact CD1-CE2 3.87Å; Y92-F311 HydrophobicContact CD1-CE2 3.87Å; Y92-F311 AromaticContact CD1-CZ 3.48Å; Y92-F311 HydrophobicContact CD1-CZ 3.48Å; Y92-F311 VanDerWaalsContact CD1-CZ 3.48Å; Y92-F311 HydrophobicContact CD2-CE2 4.19Å; Y92-F311 HydrophobicContact CD2-CZ 4.14Å; Y92-F311 AromaticContact CE1-CE2 3.96Å; Y92-F311 HydrophobicContact CE1-CE2 3.96Å; Y92-F311 HydrophobicContact CE1-CZ 4.05Å; Y92-F311 HydrophobicContact CE2-CE2 4.28Å; Y92-F311 AromaticContact CG-CE2 3.98Å; Y92-F311 HydrophobicContact CG-CE2 3.98Å; Y92-F311 AromaticContact CG-CZ 3.52Å; Y92-F311 HydrophobicContact CG-CZ 3.52Å; Y92-M314 HydrophobicContact CD2-CB 4.29Å; Y92-M314 WeakPolarHBondContact CD2-O 3.3Å; Y92-M314 HydrophobicContact CE2-CB 4.05Å; Y92-M314 HydrophobicContact CE2-CE 4.39Å; Y92-C333 VanDerWaalsContact CD2-SG 3.55Å; Y92-C333 HydrophobicContact CE2-CB 4.31Å; Y92-C333 VanDerWaalsContact CE2-SG 3.56Å
93V96.9Very high96.6Very high4 Ų426.8 Ų26.82%0.02414%0.143CC..EExtended strand (participates in β ladder)trans-112.6122.7174.3-177.80000108.9L64 E66 R75 M78 M91 V329 C333L64-V93 HydrophobicContact CB-CG2 4.49Å; L64-V93 WeakPolarHBondContact O-CA 3.39Å; E66-V93 HydrophobicContact CB-CG1 4.16Å; E66-V93 HydrophobicContact CG-CG1 3.62Å; R75-V93 HydrophobicContact CG-CG1 4.31Å; M78-V93 HydrophobicContact SD-CG2 4.34Å; M91-V93 HydrophobicContact CE-CG2 3.7Å; V93-V329 HydrophobicContact CB-CG2 4.31Å; V93-V329 HydrophobicContact CG2-CG2 3.98Å; V93-C333 HydrophobicContact CB-CB 4.39Å; V93-C333 PolarHBondContact N-SG 2.78Å; V93-C333 VanDerWaalsContact N-SG 3.38Å; V93-C333 VanDerWaalsContact O-CB 3.31Å; V93-C333 WeakPolarHBondContact O-CB 3.49Å
94A95.3Very high96.3Very high6 Ų628 Ų285%0.0515%0.152CC..EExtended strand (participates in β ladder)trans-116.7145.7-17900000112.2L64 T65 E66 Y92 L99L64-A94 PolarHBondContact O-N 3.4Å; T65-A94 VanDerWaalsContact CA-O 3.24Å; T65-A94 WeakPolarHBondContact CA-O 3.43Å; E66-A94 PolarHBondContact N-O 3.11Å; Y92-A94 HydrophobicContact CD1-CB 4.1Å; Y92-A94 HydrophobicContact CE1-CB 3.94Å; A94-L99 HydrophobicContact CB-CD1 3.81Å; A94-L99 HydrophobicContact CB-CD2 3.83Å; A94-L99 HydrophobicContact CB-CG 3.88Å
95I93.9Very high96Very high16 Ų1626.8 Ų26.88%0.08217%0.165CC..EExtended strand (participates in β ladder)trans-73.3130.1173.1-61.8172.5000109.1P68 A97 V98 L99 A129 F334P68-I95 HydrophobicContact CG-CG2 4.05Å; I95-A97 HydrophobicContact CG2-CB 4.46Å; I95-A97 PolarHBondContact O-N 3.15Å; I95-V98 HydrophobicContact CB-CB 4.36Å; I95-V98 HydrophobicContact CB-CG2 3.99Å; I95-V98 HydrophobicContact CG2-CG2 4.26Å; I95-V98 WeakPolarHBondContact O-CB 3.44Å; I95-V98 PolarHBondContact O-N 3.43Å; I95-V98 VanDerWaalsContact O-N 3.11Å; I95-L99 PolarHBondContact O-N 2.85Å; I95-A129 HydrophobicContact CD1-CB 4.28Å; I95-F334 WeakPolarHBondContact CD1-OXT 3.3Å
96Q95.5Very high95.9Very high47 Ų4726.6 Ų26.622%0.2216%0.157CC..Hα-helixtrans-52.6-49.7-176.1-70.4165.9-9.400113.3E66 V98 L99 S100 V298E66-Q96 VanDerWaalsContact O-CG 3.3Å; E66-Q96 WeakPolarHBondContact O-CG 3.39Å; E66-Q96 PolarHBondContact O-N 3.03Å; Q96-V98 VanDerWaalsContact C-N 3.31Å; Q96-V98 PolarHBondContact O-N 3.44Å; Q96-L99 WeakPolarHBondContact O-CB 3.3Å; Q96-L99 PolarHBondContact O-N 2.95Å; Q96-S100 PolarHBondContact O-N 2.94Å; Q96-V298 HydrophobicContact CB-CG1 3.98Å; Q96-V298 HydrophobicContact CB-CG2 3.97Å; Q96-V298 HydrophobicContact CG-CG1 3.92Å
97A95.5Very high95.7Very high1 Ų129.8 Ų29.81%0.00818%0.177CC..Hα-helixtrans-61.3-36.8-179.800000113.5I95 L99 S100 L101 V111 V122I95-A97 HydrophobicContact CG2-CB 4.46Å; I95-A97 PolarHBondContact O-N 3.15Å; A97-L99 VanDerWaalsContact C-N 3.34Å; A97-S100 PolarHBondContact O-N 3.01Å; A97-L101 PolarHBondContact O-N 3.47Å; A97-V111 HydrophobicContact CB-CB 3.98Å; A97-V111 HydrophobicContact CB-CG1 4.09Å; A97-V111 HydrophobicContact CB-CG2 4.49Å; A97-V111 WeakPolarHBondContact O-CG2 3.34Å; A97-V122 HydrophobicContact CB-CB 3.52Å; A97-V122 HydrophobicContact CB-CG1 3.96Å; A97-V122 HydrophobicContact CB-CG2 3.54Å
98V95.4Very high95.7Very high19 Ų1926.3 Ų26.312%0.11516%0.159CC..Hα-helixtrans-62.9-45.1177.7174.60000109.9I95 Q96 S100 L101 Y102 I124 A129I95-V98 HydrophobicContact CB-CB 4.36Å; I95-V98 HydrophobicContact CB-CG2 3.99Å; I95-V98 HydrophobicContact CG2-CG2 4.26Å; I95-V98 WeakPolarHBondContact O-CB 3.44Å; I95-V98 PolarHBondContact O-N 3.43Å; I95-V98 VanDerWaalsContact O-N 3.11Å; Q96-V98 VanDerWaalsContact C-N 3.31Å; Q96-V98 PolarHBondContact O-N 3.44Å; V98-S100 PolarHBondContact O-N 2.85Å; V98-L101 PolarHBondContact O-N 2.78Å; V98-Y102 HydrophobicContact CG1-CD2 3.71Å; V98-Y102 HydrophobicContact CG1-CE2 3.49Å; V98-Y102 VanDerWaalsContact CG1-CE2 3.49Å; V98-Y102 WeakPolarHBondContact O-CD2 3.5Å; V98-Y102 PolarHBondContact O-N 2.83Å; V98-I124 HydrophobicContact CB-CD1 4.44Å; V98-I124 HydrophobicContact CG2-CD1 4Å; V98-I124 HydrophobicContact CG2-CG1 4.24Å; V98-A129 HydrophobicContact CG2-CB 4.06Å
99L96.6Very high95.6Very high0 Ų026.3 Ų26.30%016%0.159CC..Hα-helixtrans-62-43.1175.5-60.3-178.6000112.2L63 T65 A94 I95 Q96 A97 L101 Y102 A103 V298 G301 L305L63-L99 HydrophobicContact CD2-CD1 4.23Å; T65-L99 HydrophobicContact CG2-CD1 3.58Å; A94-L99 HydrophobicContact CB-CD1 3.81Å; A94-L99 HydrophobicContact CB-CD2 3.83Å; A94-L99 HydrophobicContact CB-CG 3.88Å; I95-L99 PolarHBondContact O-N 2.85Å; Q96-L99 WeakPolarHBondContact O-CB 3.3Å; Q96-L99 PolarHBondContact O-N 2.95Å; A97-L99 VanDerWaalsContact C-N 3.34Å; L99-L101 VanDerWaalsContact C-N 3.31Å; L99-L101 PolarHBondContact O-N 3.22Å; L99-Y102 PolarHBondContact O-N 3.17Å; L99-A103 PolarHBondContact O-N 3.3Å; L99-V298 HydrophobicContact CB-CG1 4.41Å; L99-V298 WeakPolarHBondContact CB-O 3.19Å; L99-V298 HydrophobicContact CD1-CG1 4.1Å; L99-G301 WeakPolarHBondContact O-CA 3.44Å; L99-L305 HydrophobicContact CD2-CB 4.39Å; L99-L305 HydrophobicContact CD2-CD2 3.64Å
100S96.8Very high95.7Very high0 Ų024 Ų240%014%0.143CC..Hα-helixtrans-61.4-37.6177-73.10000113.1Q96 A97 V98 A103 S104 S259 V298Q96-S100 PolarHBondContact O-N 2.94Å; A97-S100 PolarHBondContact O-N 3.01Å; V98-S100 PolarHBondContact O-N 2.85Å; S100-A103 PolarHBondContact O-N 3.46Å; S100-S104 PolarHBondContact O-N 3.46Å; S100-S259 WeakPolarHBondContact OG-CB 3.3Å; S100-S259 PolarHBondContact OG-OG 3.31Å; S100-V298 WeakPolarHBondContact OG-CG2 3.41Å; S100-V298 PolarHBondContact OG-N 3.41Å
101L95.9Very high95.7Very high2 Ų223.5 Ų23.51%0.0114%0.14CC..Hα-helixtrans-66.3-45.2175-170.365.2000111.2A97 V98 L99 A103 S104 R106 V111 I124 V257A97-L101 PolarHBondContact O-N 3.47Å; V98-L101 PolarHBondContact O-N 2.78Å; L99-L101 VanDerWaalsContact C-N 3.31Å; L99-L101 PolarHBondContact O-N 3.22Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.05Å; L101-S104 WeakPolarHBondContact O-CA 3.41Å; L101-S104 WeakPolarHBondContact O-CB 3.43Å; L101-S104 PolarHBondContact O-N 3.49Å; L101-S104 PolarHBondContact O-OG 2.65Å; L101-R106 CarbonylContact C-O 3.58Å; L101-R106 HydrophobicContact CD1-CB 3.74Å; L101-R106 HydrophobicContact CG-CB 3.96Å; L101-R106 PolarHBondContact O-N 2.88Å; L101-V111 HydrophobicContact CB-CG2 3.81Å; L101-V111 HydrophobicContact CD1-CG2 4.18Å; L101-V111 HydrophobicContact CG-CG2 4.49Å; L101-I124 HydrophobicContact CB-CD1 3.9Å; L101-I124 HydrophobicContact CD2-CB 3.65Å; L101-I124 HydrophobicContact CD2-CD1 3.72Å; L101-I124 HydrophobicContact CD2-CG1 4.3Å; L101-I124 HydrophobicContact CD2-CG2 3.67Å; L101-I124 HydrophobicContact CG-CD1 4.44Å; L101-V257 HydrophobicContact CD1-CB 4.43Å; L101-V257 HydrophobicContact CD1-CG2 3.74Å
102Y92.8Very high95.8Very high89 Ų8923.8 Ų23.835%0.34914%0.141SC..Hα-helixtrans-59.1-41.7175.9-85.1-62.7000112.3V98 L99 S104 G105 T107V98-Y102 HydrophobicContact CG1-CD2 3.71Å; V98-Y102 HydrophobicContact CG1-CE2 3.49Å; V98-Y102 VanDerWaalsContact CG1-CE2 3.49Å; V98-Y102 WeakPolarHBondContact O-CD2 3.5Å; V98-Y102 PolarHBondContact O-N 2.83Å; L99-Y102 PolarHBondContact O-N 3.17Å; Y102-S104 PolarHBondContact O-N 2.9Å; Y102-S104 VanDerWaalsContact O-N 3.16Å; Y102-G105 PolarHBondContact O-N 3.12Å; Y102-T107 HydrophobicContact CE1-CG2 4.21Å
103A94.8Very high95.8Very high29 Ų2923.2 Ų23.224%0.2414%0.14CC..Hα-helixtrans-59.3-26.9175.800000112.8L99 S100 L101 G105 S297 I300L99-A103 PolarHBondContact O-N 3.3Å; S100-A103 PolarHBondContact O-N 3.46Å; L101-A103 VanDerWaalsContact C-N 3.33Å; L101-A103 PolarHBondContact O-N 3.05Å; A103-G105 VanDerWaalsContact C-N 3.29Å; A103-S297 VanDerWaalsContact CB-O 3.3Å; A103-S297 WeakPolarHBondContact CB-O 3.47Å; A103-I300 HydrophobicContact CB-CB 4.3Å; A103-I300 HydrophobicContact CB-CG2 4.1Å
104S92.7Very high95.9Very high26 Ų2623.2 Ų23.218%0.18214%0.14CC..THydrogen-bonded Turntrans-83.4-1.7175.786.90000113.9S100 L101 Y102 R106S100-S104 PolarHBondContact O-N 3.46Å; L101-S104 WeakPolarHBondContact O-CA 3.41Å; L101-S104 WeakPolarHBondContact O-CB 3.43Å; L101-S104 PolarHBondContact O-N 3.49Å; L101-S104 PolarHBondContact O-OG 2.65Å; Y102-S104 PolarHBondContact O-N 2.9Å; Y102-S104 VanDerWaalsContact O-N 3.16Å; S104-R106 PolarHBondContact O-NH1 3.17Å; S104-R106 PolarHBondContact OG-NH1 3.22Å
105G93Very high95.9Very high71 Ų7124 Ų2473%0.73215%0.149SC*.THydrogen-bonded Turntrans74.431.9-176.700000113.6Y102 A103Y102-G105 PolarHBondContact O-N 3.12Å; A103-G105 VanDerWaalsContact C-N 3.29Å
106R94.6Very high95.9Very high64 Ų6426.6 Ų26.624%0.24216%0.163CC..  trans-126.8152.5-178.4-68.9174.2-178.46716.2111.3L101 S104 N255L101-R106 CarbonylContact C-O 3.58Å; L101-R106 HydrophobicContact CD1-CB 3.74Å; L101-R106 HydrophobicContact CG-CB 3.96Å; L101-R106 PolarHBondContact O-N 2.88Å; S104-R106 PolarHBondContact O-NH1 3.17Å; S104-R106 PolarHBondContact OG-NH1 3.22Å; R106-N255 VanDerWaalsContact CD-OD1 3.32Å; R106-N255 WeakPolarHBondContact CD-OD1 3.2Å; R106-N255 PolarHBondContact NE-OD1 3.09Å
107T93.6Very high95.8Very high75 Ų7524.8 Ų24.846%0.4616%0.157SC..SBendtrans-114.1-18.8174.252.20000112.6Y102 E126 G127Y102-T107 HydrophobicContact CE1-CG2 4.21Å; T107-E126 PolarHBondContact O-N 3.44Å; T107-G127 PolarHBondContact O-N 2.88Å
108T97.3Very high95.8Very high21 Ų2125.3 Ų25.313%0.12916%0.16CC..SBendtrans-127.2133.8177.3-61.90000110I124 Y125 E126 D251T108-I124 WeakPolarHBondContact CA-O 3.41Å; T108-Y125 HydrophobicContact CG2-CD2 3.58Å; T108-Y125 HydrophobicContact CG2-CE2 4.12Å; T108-E126 PolarHBondContact OG1-N 2.98Å; T108-D251 HydrophobicContact CG2-CB 3.81Å
109G98.1Very high95.9Very high0 Ų024.4 Ų24.40%015%0.154CC..EExtended strand (participates in β ladder)trans161.3177.7-18000000111.8I124 L252 N255G109-I124 PolarHBondContact N-O 2.92Å; G109-I124 PolarHBondContact O-N 3.32Å; G109-L252 VanDerWaalsContact C-CD2 3.45Å; G109-L252 WeakPolarHBondContact O-CD2 3.36Å; G109-N255 CarbonylContact C-O 3.21Å; G109-N255 VanDerWaalsContact CA-O 3.3Å; G109-N255 WeakPolarHBondContact CA-O 3.45Å
110I98.6Very high95.9Very high1 Ų124.5 Ų24.51%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-112.9134.2171.6-176168.3000108.9N121 P123 T237 I241 L252 N255 N256 V257I110-N121 HydrophobicContact CD1-CB 4.28Å; I110-P123 HydrophobicContact CD1-CB 4.49Å; I110-P123 HydrophobicContact CG1-CB 4.41Å; I110-T237 HydrophobicContact CD1-CG2 4.01Å; I110-T237 HydrophobicContact CG2-CG2 4.46Å; I110-I241 HydrophobicContact CD1-CD1 4.36Å; I110-I241 HydrophobicContact CD1-CG1 3.69Å; I110-I241 HydrophobicContact CG2-CD1 4.15Å; I110-I241 HydrophobicContact CG2-CG1 4.33Å; I110-L252 HydrophobicContact CB-CD2 4.47Å; I110-N255 PolarHBondContact N-O 3.35Å; I110-N256 HydrophobicContact CG2-CB 4.19Å; I110-N256 WeakPolarHBondContact CG2-OD1 3.39Å; I110-N256 CarbonylContact O-C 3.49Å; I110-N256 WeakPolarHBondContact O-CA 3.34Å; I110-V257 PolarHBondContact O-N 3.42Å
111V98.5Very high96Very high0 Ų024.5 Ų24.50%016%0.155CC..EExtended strand (participates in β ladder)trans-105.9121.5176.9-178.60000109A97 L101 D113 N121 V122 I124 V257A97-V111 HydrophobicContact CB-CB 3.98Å; A97-V111 HydrophobicContact CB-CG1 4.09Å; A97-V111 HydrophobicContact CB-CG2 4.49Å; A97-V111 WeakPolarHBondContact O-CG2 3.34Å; L101-V111 HydrophobicContact CB-CG2 3.81Å; L101-V111 HydrophobicContact CD1-CG2 4.18Å; L101-V111 HydrophobicContact CG-CG2 4.49Å; V111-D113 HydrophobicContact CG1-CB 4.19Å; V111-N121 WeakPolarHBondContact O-CA 3.25Å; V111-V122 PolarHBondContact N-O 3.42Å; V111-V122 PolarHBondContact O-N 2.94Å; V111-I124 HydrophobicContact CG2-CD1 3.98Å; V111-V257 CarbonylContact C-O 3.46Å; V111-V257 VanDerWaalsContact CA-O 3.32Å; V111-V257 WeakPolarHBondContact CA-O 3.49Å; V111-V257 HydrophobicContact CG2-CB 4.29Å
112L98.4Very high96.1Very high6 Ų624.4 Ų24.43%0.03115%0.154CC..EExtended strand (participates in β ladder)trans-92101.4163.5172.261.9000107.2T119 H120 N121 I233 V257 L258 S259 M272L112-T119 HydrophobicContact CD1-CG2 3.56Å; L112-H120 WeakPolarHBondContact CA-O 3.28Å; L112-N121 WeakPolarHBondContact CD1-OD1 3.5Å; L112-I233 HydrophobicContact CD1-CB 4.3Å; L112-I233 HydrophobicContact CD1-CG2 4.44Å; L112-I233 HydrophobicContact CD2-CB 4.17Å; L112-I233 HydrophobicContact CD2-CD1 4.12Å; L112-V257 PolarHBondContact N-O 2.74Å; L112-L258 HydrophobicContact CB-CD2 3.92Å; L112-L258 HydrophobicContact CD2-CD2 3.84Å; L112-L258 HydrophobicContact CG-CD2 4.24Å; L112-S259 PolarHBondContact O-N 3.41Å; L112-M272 HydrophobicContact CD2-CE 3.74Å; L112-M272 HydrophobicContact CD2-SD 4.22Å
113D97.9Very high96.3Very high11 Ų1120.1 Ų20.16%0.05914%0.138CC..EExtended strand (participates in β ladder)trans-103.7115.5179-162.65000109.7V111 T119 H120 S259 G260V111-D113 HydrophobicContact CG1-CB 4.19Å; D113-T119 CarbonylContact O-C 3.59Å; D113-T119 VanDerWaalsContact O-CA 3.25Å; D113-T119 WeakPolarHBondContact O-CA 3.46Å; D113-H120 PolarHBondContact N-O 3.14Å; D113-H120 PolarHBondContact O-N 2.83Å; D113-S259 WeakPolarHBondContact CA-O 3.48Å; D113-S259 VanDerWaalsContact OD1-C 3.25Å; D113-S259 WeakPolarHBondContact OD1-CB 3.31Å; D113-S259 PolarHBondContact OD1-OG 3.49Å; D113-G260 PolarHBondContact OD1-N 2.84Å
114S98Very high96.5Very high3 Ų318.8 Ų18.82%0.02113%0.126CC..EExtended strand (participates in β ladder)trans-125.2106.1179.9-168.50000110.5T119 S259 G260 G261 T262S114-T119 WeakPolarHBondContact CB-OG1 3.21Å; S114-T119 PolarHBondContact OG-OG1 3.2Å; S114-S259 PolarHBondContact N-O 3.22Å; S114-G260 CarbonylContact O-C 3.58Å; S114-G260 WeakPolarHBondContact O-CA 3.31Å; S114-G261 PolarHBondContact O-N 3.45Å; S114-T262 WeakPolarHBondContact O-CB 3.27Å; S114-T262 PolarHBondContact O-N 2.88Å; S114-T262 WeakPolarHBondContact OG-CB 3.42Å; S114-T262 WeakPolarHBondContact OG-CG2 3.29Å
115G96.3Very high96.7Very high24 Ų2421.5 Ų21.525%0.24713%0.133CC..  trans-96.4-147.7-176.600000113.4V118 A140 G141 T262G115-V118 PolarHBondContact N-O 3.06Å; G115-A140 WeakPolarHBondContact O-CB 3.34Å; G115-G141 PolarHBondContact O-N 3.49Å; G115-G141 VanDerWaalsContact O-N 3.07Å; G115-T262 PolarHBondContact O-OG1 3.19Å
116D94.9Very high96.7Very high70 Ų7024.1 Ų24.137%0.37413%0.127SC..SBendtrans-80.8-44.7174.3-176.162.1000112.2A140 G141 R142D116-A140 CarbonylContact O-C 3.52Å; D116-A140 VanDerWaalsContact O-CB 3.29Å; D116-A140 WeakPolarHBondContact O-CB 3.38Å; D116-G141 PolarHBondContact O-N 3.2Å; D116-G141 VanDerWaalsContact O-N 3.13Å; D116-R142 WeakPolarHBondContact O-CB 3.39Å; D116-R142 PolarHBondContact O-N 3.28Å; D116-R142 IonicContact OD2-CZ 2.96Å; D116-R142 IonicContact OD2-NE 2.94Å; D116-R142 PolarHBondContact OD2-NE 3.31Å; D116-R142 IonicContact OD2-NH2 2.91Å; D116-R142 PolarHBondContact OD2-NH2 3.02Å
117G93.3Very high96.5Very high9 Ų921.7 Ų21.79%0.09312%0.121CC..SBendtrans-107.5-14.8-173.200000116.1H32 A140H32-G117 WeakPolarHBondContact CA-O 3.48Å; H32-G117 PolarHBondContact ND1-O 3.11Å; G117-A140 VanDerWaalsContact C-CB 3.46Å
118V95.4Very high96.3Very high11 Ų1125.7 Ų25.77%0.06713%0.129CC..  trans-154150.1-173.664.50000111.8G115 H120 R136G115-V118 PolarHBondContact N-O 3.06Å; V118-H120 WeakPolarHBondContact CG1-CE1 3.34Å; V118-H120 WeakPolarHBondContact CG2-CE1 3.39Å; V118-R136 HydrophobicContact CG2-CG 3.96Å
119T97.1Very high96.2Very high0 Ų025.4 Ų25.40%013%0.129CC..EExtended strand (participates in β ladder)trans-117.5134.8171.2-61.40000110.2L112 D113 S114 L137 L139 I233L112-T119 HydrophobicContact CD1-CG2 3.56Å; D113-T119 CarbonylContact O-C 3.59Å; D113-T119 VanDerWaalsContact O-CA 3.25Å; D113-T119 WeakPolarHBondContact O-CA 3.46Å; S114-T119 WeakPolarHBondContact CB-OG1 3.21Å; S114-T119 PolarHBondContact OG-OG1 3.2Å; T119-L137 PolarHBondContact N-O 3.22Å; T119-L137 PolarHBondContact O-N 3.29Å; T119-L139 WeakPolarHBondContact CB-O 3.43Å; T119-L139 PolarHBondContact OG1-O 2.88Å; T119-I233 HydrophobicContact CG2-CG2 4.03Å
120H96.8Very high96.1Very high2 Ų227 Ų271%0.00914%0.137CC..EExtended strand (participates in β ladder)trans-129.4143.1178.2-62.5101.3000111.6P68 L112 D113 V118 V122 M135P68-H120 HydrophobicContact CG-CB 4.09Å; L112-H120 WeakPolarHBondContact CA-O 3.28Å; D113-H120 PolarHBondContact N-O 3.14Å; D113-H120 PolarHBondContact O-N 2.83Å; V118-H120 WeakPolarHBondContact CG1-CE1 3.34Å; V118-H120 WeakPolarHBondContact CG2-CE1 3.39Å; H120-V122 HydrophobicContact CB-CG2 4.03Å; H120-M135 CarbonylContact C-O 3.57Å; H120-M135 WeakPolarHBondContact CA-O 3.39Å
121N98Very high95.9Very high0 Ų030.9 Ų30.90%016%0.162CC..EExtended strand (participates in β ladder)trans-109.7115.1162.4-65.6-84.5000108.2I110 V111 L112 I134 M135 T236 T237I110-N121 HydrophobicContact CD1-CB 4.28Å; V111-N121 WeakPolarHBondContact O-CA 3.25Å; L112-N121 WeakPolarHBondContact CD1-OD1 3.5Å; N121-I134 WeakPolarHBondContact O-CA 3.12Å; N121-M135 HydrophobicContact CB-CB 4.17Å; N121-M135 PolarHBondContact N-O 3.01Å; N121-M135 PolarHBondContact O-N 2.85Å; N121-T236 WeakPolarHBondContact ND2-CB 3.46Å; N121-T236 PolarHBondContact ND2-OG1 3.48Å; N121-T237 VanDerWaalsContact OD1-CA 3.32Å; N121-T237 WeakPolarHBondContact OD1-CA 3.33Å; N121-T237 WeakPolarHBondContact OD1-CB 3.31Å; N121-T237 PolarHBondContact OD1-OG1 3.05Å
122V98.1Very high95.8Very high0 Ų036.3 Ų36.30%019%0.188CC..EExtended strand (participates in β ladder)trans-120.7104.8-176.7-1730000108.8P68 A97 V111 H120 I124 A129 I134P68-V122 HydrophobicContact CB-CG2 4.07Å; P68-V122 HydrophobicContact CG-CG2 3.49Å; P68-V122 VanDerWaalsContact CG-CG2 3.49Å; A97-V122 HydrophobicContact CB-CB 3.52Å; A97-V122 HydrophobicContact CB-CG1 3.96Å; A97-V122 HydrophobicContact CB-CG2 3.54Å; V111-V122 PolarHBondContact N-O 3.42Å; V111-V122 PolarHBondContact O-N 2.94Å; H120-V122 HydrophobicContact CB-CG2 4.03Å; V122-I124 HydrophobicContact CG1-CD1 4.44Å; V122-I124 HydrophobicContact CG1-CG1 4.05Å; V122-A129 HydrophobicContact CG1-CB 3.86Å; V122-I134 HydrophobicContact CG1-CD1 4.25Å; V122-I134 HydrophobicContact CG1-CG1 4.19Å; V122-I134 HydrophobicContact CG2-CG2 4.35Å
123P98.2Very high95.7Very high0 Ų036 Ų360%019%0.186CC..EExtended strand (participates in β ladder)trans-77.3132.9171.827.8-24.9000109.2I110 L130 A133 S240 L252I110-P123 HydrophobicContact CD1-CB 4.49Å; I110-P123 HydrophobicContact CG1-CB 4.41Å; P123-L130 HydrophobicContact CB-CD1 4.35Å; P123-L130 HydrophobicContact CG-CB 4.22Å; P123-L130 PolarHBondContact O-N 2.75Å; P123-A133 HydrophobicContact CG-CB 3.49Å; P123-A133 VanDerWaalsContact CG-CB 3.49Å; P123-S240 WeakPolarHBondContact CD-OG 3.4Å; P123-S240 WeakPolarHBondContact CG-OG 3.33Å; P123-L252 HydrophobicContact CB-CD1 4.06Å; P123-L252 HydrophobicContact CB-CD2 4.21Å
124I97.9Very high95.7Very high1 Ų136.2 Ų36.21%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-128.7132.8-175.4-59.9157.6000107.7V98 L101 T108 G109 V111 V122 Y128 A129V98-I124 HydrophobicContact CB-CD1 4.44Å; V98-I124 HydrophobicContact CG2-CD1 4Å; V98-I124 HydrophobicContact CG2-CG1 4.24Å; L101-I124 HydrophobicContact CB-CD1 3.9Å; L101-I124 HydrophobicContact CD2-CB 3.65Å; L101-I124 HydrophobicContact CD2-CD1 3.72Å; L101-I124 HydrophobicContact CD2-CG1 4.3Å; L101-I124 HydrophobicContact CD2-CG2 3.67Å; L101-I124 HydrophobicContact CG-CD1 4.44Å; T108-I124 WeakPolarHBondContact CA-O 3.41Å; G109-I124 PolarHBondContact N-O 2.92Å; G109-I124 PolarHBondContact O-N 3.32Å; V111-I124 HydrophobicContact CG2-CD1 3.98Å; V122-I124 HydrophobicContact CG1-CD1 4.44Å; V122-I124 HydrophobicContact CG1-CG1 4.05Å; I124-Y128 CarbonylContact C-O 3.47Å; I124-Y128 VanDerWaalsContact CA-O 3.3Å; I124-Y128 WeakPolarHBondContact CA-O 3.25Å; I124-A129 HydrophobicContact CG1-CB 4.36Å
125Y96.7Very high95.7Very high82 Ų8237.9 Ų37.932%0.32220%0.195SC..EExtended strand (participates in β ladder)trans-129.2123177.9-172.3-101.4000109.5T108 G127 Y128 I248T108-Y125 HydrophobicContact CG2-CD2 3.58Å; T108-Y125 HydrophobicContact CG2-CE2 4.12Å; Y125-G127 PolarHBondContact O-N 3.41Å; Y125-G127 VanDerWaalsContact O-N 3.12Å; Y125-Y128 PolarHBondContact N-O 3.32Å; Y125-Y128 PolarHBondContact O-N 2.94Å; Y125-I248 HydrophobicContact CD2-CB 3.95Å; Y125-I248 HydrophobicContact CD2-CD1 4.41Å; Y125-I248 HydrophobicContact CD2-CG2 3.61Å; Y125-I248 HydrophobicContact CE1-CG2 4.44Å; Y125-I248 HydrophobicContact CE2-CB 4.03Å; Y125-I248 HydrophobicContact CE2-CG2 3.36Å; Y125-I248 HydrophobicContact CG-CG2 4.27Å
126E93.7Very high95.6Very high127 Ų12741 Ų4159%0.59320%0.199SC*.THydrogen-bonded Turntrans50.437.2-179-61-168.2149.400114.2T107 T108 Y128T107-E126 PolarHBondContact O-N 3.44Å; T108-E126 PolarHBondContact OG1-N 2.98Å; E126-Y128 WeakPolarHBondContact O-CD2 3.48Å
127G89Confident95.6Very high13 Ų1338 Ų3813%0.13418%0.183CC..THydrogen-bonded Turntrans89-7179.500000115T107 Y125T107-G127 PolarHBondContact O-N 2.88Å; Y125-G127 PolarHBondContact O-N 3.41Å; Y125-G127 VanDerWaalsContact O-N 3.12Å
128Y90.9Very high95.7Very high159 Ų15940.8 Ų40.862%0.62420%0.196SC*.EExtended strand (participates in β ladder)trans-102124.6179.2-61.7-85.1000111.3I124 Y125 E126I124-Y128 CarbonylContact C-O 3.47Å; I124-Y128 VanDerWaalsContact CA-O 3.3Å; I124-Y128 WeakPolarHBondContact CA-O 3.25Å; Y125-Y128 PolarHBondContact N-O 3.32Å; Y125-Y128 PolarHBondContact O-N 2.94Å; E126-Y128 WeakPolarHBondContact O-CD2 3.48Å
129A95.2Very high95.7Very high15 Ų1540.3 Ų40.312%0.12419%0.193CC..EExtended strand (participates in β ladder)trans-66.2140.6169.600000110I95 V98 V122 I124 P131I95-A129 HydrophobicContact CD1-CB 4.28Å; V98-A129 HydrophobicContact CG2-CB 4.06Å; V122-A129 HydrophobicContact CG1-CB 3.86Å; I124-A129 HydrophobicContact CG1-CB 4.36Å; A129-P131 WeakPolarHBondContact O-CD 3.49Å
130L95.9Very high95.6Very high32 Ų3240.3 Ų40.317%0.16819%0.193CC..  trans-97.596.1-179.8-58.7176.3000110.2P123 H132 A133 I134 I248P123-L130 HydrophobicContact CB-CD1 4.35Å; P123-L130 HydrophobicContact CG-CB 4.22Å; P123-L130 PolarHBondContact O-N 2.75Å; L130-H132 VanDerWaalsContact C-N 3.31Å; L130-H132 PolarHBondContact O-N 2.87Å; L130-A133 HydrophobicContact CB-CB 4.41Å; L130-A133 PolarHBondContact O-N 2.93Å; L130-I134 PolarHBondContact O-N 3.46Å; L130-I248 HydrophobicContact CD1-CD1 3.49Å; L130-I248 VanDerWaalsContact CD1-CD1 3.49Å
131P94.1Very high95.7Very high83 Ų8340.2 Ų40.254%0.53919%0.193SC..G310 helixtrans-65.3-32.8-163.9-23.136.7000113.9A129 A133 I134A129-P131 WeakPolarHBondContact O-CD 3.49Å; P131-A133 PolarHBondContact O-N 3.04Å; P131-I134 HydrophobicContact CB-CD1 4.49Å; P131-I134 PolarHBondContact O-N 3.11Å
132H95.6Very high95.5Very high114 Ų11442.4 Ų42.453%0.52820%0.201SC..G310 helixtrans-67.5-20.4179.462.3-88.8000113.4L130L130-H132 VanDerWaalsContact C-N 3.31Å; L130-H132 PolarHBondContact O-N 2.87Å
133A97.6Very high95.5Very high0 Ų044.1 Ų44.10%021%0.21CC..G310 helixtrans-106.72.4-177.600000113.1P123 L130 P131 M135 S240 K243 C244P123-A133 HydrophobicContact CG-CB 3.49Å; P123-A133 VanDerWaalsContact CG-CB 3.49Å; L130-A133 HydrophobicContact CB-CB 4.41Å; L130-A133 PolarHBondContact O-N 2.93Å; P131-A133 PolarHBondContact O-N 3.04Å; A133-M135 PolarHBondContact O-N 3.16Å; A133-S240 WeakPolarHBondContact O-CB 3.18Å; A133-S240 PolarHBondContact O-OG 2.82Å; A133-K243 HydrophobicContact CB-CB 3.75Å; A133-C244 WeakPolarHBondContact CB-SG 3.22Å
134I97.4Very high95.4Very high16 Ų1644.1 Ų44.18%0.08221%0.21CC..  trans-67.9130.9174.9-62.3175.9000109.4P68 L69 N121 V122 L130 P131P68-I134 HydrophobicContact CB-CD1 4.16Å; P68-I134 HydrophobicContact CB-CG2 4.03Å; L69-I134 HydrophobicContact CD1-CB 4.27Å; L69-I134 HydrophobicContact CD1-CG2 3.96Å; L69-I134 HydrophobicContact CD2-CD1 4.24Å; L69-I134 HydrophobicContact CG-CD1 4.34Å; L69-I134 HydrophobicContact CG-CG2 4.21Å; N121-I134 WeakPolarHBondContact O-CA 3.12Å; V122-I134 HydrophobicContact CG1-CD1 4.25Å; V122-I134 HydrophobicContact CG1-CG1 4.19Å; V122-I134 HydrophobicContact CG2-CG2 4.35Å; L130-I134 PolarHBondContact O-N 3.46Å; P131-I134 HydrophobicContact CB-CD1 4.49Å; P131-I134 PolarHBondContact O-N 3.11Å
135M97.3Very high95.4Very high37 Ų3744.1 Ų44.118%0.18221%0.211CC..EExtended strand (participates in β ladder)trans-112.5129171.5-57.8-69.2-69.900108.7H120 N121 A133 N239 K243H120-M135 CarbonylContact C-O 3.57Å; H120-M135 WeakPolarHBondContact CA-O 3.39Å; N121-M135 HydrophobicContact CB-CB 4.17Å; N121-M135 PolarHBondContact N-O 3.01Å; N121-M135 PolarHBondContact O-N 2.85Å; A133-M135 PolarHBondContact O-N 3.16Å; M135-N239 HydrophobicContact CE-CB 4.28Å; M135-K243 HydrophobicContact SD-CD 4.08Å; M135-K243 PolarHBondContact SD-NZ 3.35Å
136R94.8Very high95.4Very high89 Ų8943.5 Ų43.534%0.33621%0.213SC..EExtended strand (participates in β ladder)trans-111.2137.5175.2174.9174.1167.3156.82109.2H32 V118 D138H32-R136 VanDerWaalsContact CB-NH2 3.35Å; H32-R136 PolarHBondContact O-NH2 3.25Å; H32-R136 VanDerWaalsContact O-NH2 3.08Å; V118-R136 HydrophobicContact CG2-CG 3.96Å; R136-D138 IonicContact CZ-OD1 3.73Å; R136-D138 VanDerWaalsContact CZ-OD1 3.26Å; R136-D138 IonicContact NE-OD1 3.32Å; R136-D138 PolarHBondContact NE-OD1 2.85Å; R136-D138 IonicContact NE-OD2 2.85Å; R136-D138 IonicContact NH2-OD1 2.91Å; R136-D138 PolarHBondContact NH2-OD1 2.91Å; R136-D138 IonicContact NH2-OD2 3Å
137L95Very high95.5Very high8 Ų838.2 Ų38.24%0.04219%0.187CC..EExtended strand (participates in β ladder)trans-132115.4175.7176.266.7000108T119 L139 M228 S230 I233T119-L137 PolarHBondContact N-O 3.22Å; T119-L137 PolarHBondContact O-N 3.29Å; L137-L139 HydrophobicContact CD1-CB 4.22Å; L137-L139 HydrophobicContact CD2-CB 4.1Å; L137-L139 HydrophobicContact CD2-CD2 4.37Å; L137-L139 HydrophobicContact CG-CB 3.84Å; L137-L139 PolarHBondContact O-N 2.67Å; L137-M228 HydrophobicContact CD1-CE 4.44Å; L137-S230 WeakPolarHBondContact CD1-OG 3.34Å; L137-I233 HydrophobicContact CD2-CG2 4.19Å
138D94.1Very high95.9Very high68 Ų6837.6 Ų37.636%0.36418%0.181SC..SBendtrans-80.253.6176.2-65.5-30.1000110.5R136R136-D138 IonicContact CZ-OD1 3.73Å; R136-D138 VanDerWaalsContact CZ-OD1 3.26Å; R136-D138 IonicContact NE-OD1 3.32Å; R136-D138 PolarHBondContact NE-OD1 2.85Å; R136-D138 IonicContact NE-OD2 2.85Å; R136-D138 IonicContact NH2-OD1 2.91Å; R136-D138 PolarHBondContact NH2-OD1 2.91Å; R136-D138 IonicContact NH2-OD2 3Å
139L95.6Very high96.2Very high0 Ų031.2 Ų31.20%016%0.157CC..  trans-138.7120.8173.2165.459000107.7T119 L137 D143 L144 T219 L220 P223 I226 M228T119-L139 WeakPolarHBondContact CB-O 3.43Å; T119-L139 PolarHBondContact OG1-O 2.88Å; L137-L139 HydrophobicContact CD1-CB 4.22Å; L137-L139 HydrophobicContact CD2-CB 4.1Å; L137-L139 HydrophobicContact CD2-CD2 4.37Å; L137-L139 HydrophobicContact CG-CB 3.84Å; L137-L139 PolarHBondContact O-N 2.67Å; L139-D143 HydrophobicContact CD1-CB 3.61Å; L139-L144 HydrophobicContact CD1-CD2 4.38Å; L139-T219 HydrophobicContact CD1-CG2 4.29Å; L139-T219 HydrophobicContact CD2-CG2 4.24Å; L139-T219 WeakPolarHBondContact CD2-O 3.42Å; L139-L220 HydrophobicContact CG-CD2 4.46Å; L139-P223 HydrophobicContact CD2-CB 3.94Å; L139-P223 HydrophobicContact CD2-CG 3.88Å; L139-I226 HydrophobicContact CD1-CD1 3.51Å; L139-I226 HydrophobicContact CD2-CD1 4.32Å; L139-I226 HydrophobicContact CG-CD1 4.43Å; L139-M228 HydrophobicContact CB-CE 4.25Å; L139-M228 HydrophobicContact CB-SD 4.12Å
140A96.9Very high96.2Very high0 Ų036.1 Ų36.10%018%0.176CC..SBendtrans-156.3-161.5-176.300000112.2G115 D116 G117 R142 D143 L144G115-A140 WeakPolarHBondContact O-CB 3.34Å; D116-A140 CarbonylContact O-C 3.52Å; D116-A140 VanDerWaalsContact O-CB 3.29Å; D116-A140 WeakPolarHBondContact O-CB 3.38Å; G117-A140 VanDerWaalsContact C-CB 3.46Å; A140-R142 PolarHBondContact O-N 3.34Å; A140-R142 VanDerWaalsContact O-N 3.16Å; A140-D143 PolarHBondContact N-OD2 3.48Å; A140-D143 PolarHBondContact O-N 3.05Å; A140-L144 WeakPolarHBondContact O-CG 3.3Å; A140-L144 PolarHBondContact O-N 3.28Å; A140-L144 VanDerWaalsContact O-N 3.14Å
141G97.1Very high96.2Very high1 Ų134.7 Ų34.71%0.0117%0.168CC..Hα-helixtrans-58-31.9-170.800000114.9G115 D116 T145 K172 T262G115-G141 PolarHBondContact O-N 3.49Å; G115-G141 VanDerWaalsContact O-N 3.07Å; D116-G141 PolarHBondContact O-N 3.2Å; D116-G141 VanDerWaalsContact O-N 3.13Å; G141-T145 PolarHBondContact O-N 2.95Å; G141-T145 PolarHBondContact O-OG1 3.06Å; G141-K172 PolarHBondContact O-NZ 3.2Å; G141-T262 WeakPolarHBondContact CA-OG1 3.46Å; G141-T262 PolarHBondContact N-OG1 3.17Å; G141-T262 VanDerWaalsContact N-OG1 3.15Å
142R95.4Very high96.3Very high45 Ų4530.8 Ų30.817%0.1714%0.143CC..Hα-helixtrans-66.1-50.2178.9-171.5178.9-62.5176.21.6111D116 A140 L144 T145 D146 R165D116-R142 WeakPolarHBondContact O-CB 3.39Å; D116-R142 PolarHBondContact O-N 3.28Å; D116-R142 IonicContact OD2-CZ 2.96Å; D116-R142 IonicContact OD2-NE 2.94Å; D116-R142 PolarHBondContact OD2-NE 3.31Å; D116-R142 IonicContact OD2-NH2 2.91Å; D116-R142 PolarHBondContact OD2-NH2 3.02Å; A140-R142 PolarHBondContact O-N 3.34Å; A140-R142 VanDerWaalsContact O-N 3.16Å; R142-L144 VanDerWaalsContact C-N 3.27Å; R142-L144 PolarHBondContact O-N 3.11Å; R142-T145 WeakPolarHBondContact O-CB 3.32Å; R142-T145 PolarHBondContact O-N 3.14Å; R142-T145 VanDerWaalsContact O-N 3.08Å; R142-D146 PolarHBondContact O-N 2.87Å; R142-R165 PolarHBondContact O-NH2 2.99Å; R142-R165 VanDerWaalsContact O-NH2 3.15Å
143D96.3Very high96.3Very high37 Ų3728.6 Ų28.620%0.19814%0.137CC..Hα-helixtrans-62.7-37.5178.7-45.5-78.2000111L139 A140 T145 D146 Y147L139-D143 HydrophobicContact CD1-CB 3.61Å; A140-D143 PolarHBondContact N-OD2 3.48Å; A140-D143 PolarHBondContact O-N 3.05Å; D143-T145 PolarHBondContact O-N 3.13Å; D143-D146 PolarHBondContact O-N 2.93Å; D143-Y147 WeakPolarHBondContact O-CB 3.46Å; D143-Y147 PolarHBondContact O-N 3.02Å
144L97.9Very high96Very high0 Ų034.3 Ų34.30%016%0.164CC..Hα-helixtrans-64.8-37.4174.4-63.1-175.1000112.6L139 A140 R142 L148 K172 C216 T219 L220 T262 Y265L139-L144 HydrophobicContact CD1-CD2 4.38Å; A140-L144 WeakPolarHBondContact O-CG 3.3Å; A140-L144 PolarHBondContact O-N 3.28Å; A140-L144 VanDerWaalsContact O-N 3.14Å; R142-L144 VanDerWaalsContact C-N 3.27Å; R142-L144 PolarHBondContact O-N 3.11Å; L144-L148 WeakPolarHBondContact O-CB 3.42Å; L144-L148 PolarHBondContact O-N 2.89Å; L144-K172 HydrophobicContact CB-CD 4.05Å; L144-C216 PolarHBondContact O-SG 2.71Å; L144-T219 HydrophobicContact CD2-CG2 4.25Å; L144-L220 HydrophobicContact CD1-CD1 4.08Å; L144-L220 HydrophobicContact CD1-CD2 4.04Å; L144-L220 HydrophobicContact CD1-CG 3.95Å; L144-L220 HydrophobicContact CD2-CD2 4.45Å; L144-L220 HydrophobicContact CD2-CG 4.33Å; L144-T262 HydrophobicContact CD1-CG2 3.66Å; L144-Y265 HydrophobicContact CD1-CE2 3.7Å; L144-Y265 WeakPolarHBondContact CD1-OH 3.35Å
145T97.4Very high95.7Very high1 Ų137.7 Ų37.71%0.00618%0.176CC..Hα-helixtrans-63.8-44.9173.3-69.80000110.5G141 R142 D143 L148 M149 R165 V168 R169 K172G141-T145 PolarHBondContact O-N 2.95Å; G141-T145 PolarHBondContact O-OG1 3.06Å; R142-T145 WeakPolarHBondContact O-CB 3.32Å; R142-T145 PolarHBondContact O-N 3.14Å; R142-T145 VanDerWaalsContact O-N 3.08Å; D143-T145 PolarHBondContact O-N 3.13Å; T145-L148 PolarHBondContact O-N 3.13Å; T145-M149 WeakPolarHBondContact O-CG 3.36Å; T145-M149 PolarHBondContact O-N 3.01Å; T145-R165 HydrophobicContact CG2-CG 3.99Å; T145-V168 HydrophobicContact CG2-CG1 4.43Å; T145-R169 HydrophobicContact CG2-CB 4.05Å; T145-K172 PolarHBondContact OG1-NZ 3.1Å
146D95.5Very high95.5Very high68 Ų6839 Ų3936%0.36420%0.199SC..Hα-helixtrans-67.7-38.3-179.2-63.3-34.1000111.9R142 D143 M149 K150 R165R142-D146 PolarHBondContact O-N 2.87Å; D143-D146 PolarHBondContact O-N 2.93Å; D146-M149 WeakPolarHBondContact O-CB 3.34Å; D146-M149 PolarHBondContact O-N 3Å; D146-K150 PolarHBondContact O-N 3.31Å; D146-K150 VanDerWaalsContact O-N 3.1Å; D146-R165 IonicContact OD1-CZ 3.77Å; D146-R165 VanDerWaalsContact OD1-CZ 3.23Å; D146-R165 IonicContact OD1-NE 2.57Å; D146-R165 PolarHBondContact OD1-NE 3.43Å; D146-R165 IonicContact OD1-NH2 3.26Å; D146-R165 PolarHBondContact OD1-NH2 2.98Å; D146-R165 IonicContact OD2-CZ 2.84Å; D146-R165 IonicContact OD2-NH2 3.85Å; D146-R165 PolarHBondContact OD2-NH2 3.14Å
147Y97.3Very high95.4Very high16 Ų1637.5 Ų37.56%0.06319%0.194CC..Hα-helixtrans-64.9-41.6172.4179.1-121.4000112.1D143 M149 K150 I151 T219 F225 I226D143-Y147 WeakPolarHBondContact O-CB 3.46Å; D143-Y147 PolarHBondContact O-N 3.02Å; Y147-M149 VanDerWaalsContact C-N 3.32Å; Y147-M149 PolarHBondContact O-N 3.33Å; Y147-K150 WeakPolarHBondContact O-CB 3.26Å; Y147-K150 PolarHBondContact O-N 3.38Å; Y147-K150 VanDerWaalsContact O-N 3.15Å; Y147-I151 HydrophobicContact CD1-CD1 4.45Å; Y147-I151 HydrophobicContact CD2-CG2 4.15Å; Y147-I151 HydrophobicContact CE1-CD1 4.1Å; Y147-I151 HydrophobicContact CE1-CG2 4.29Å; Y147-I151 HydrophobicContact CE2-CG2 3.55Å; Y147-I151 PolarHBondContact O-N 3.43Å; Y147-T219 WeakPolarHBondContact CD1-OG1 3.41Å; Y147-T219 WeakPolarHBondContact CE1-OG1 3.13Å; Y147-F225 HydrophobicContact CE1-CB 4.48Å; Y147-F225 HydrophobicContact CE1-CD2 4.34Å; Y147-F225 HydrophobicContact CE2-CB 4.41Å; Y147-F225 WeakPolarHBondContact OH-CD2 3.31Å; Y147-I226 HydrophobicContact CD1-CG2 4.47Å; Y147-I226 HydrophobicContact CD2-CG2 3.56Å; Y147-I226 HydrophobicContact CE2-CG2 4.29Å; Y147-I226 HydrophobicContact CG-CG2 3.67Å
148L97.6Very high95.1Very high0 Ų040.9 Ų40.90%022%0.218CC..Hα-helixtrans-61.1-41.6175.2-176.259.3000111.4L144 T145 K150 I151 L152 V168 I171 K172 E212 C216L144-L148 WeakPolarHBondContact O-CB 3.42Å; L144-L148 PolarHBondContact O-N 2.89Å; T145-L148 PolarHBondContact O-N 3.13Å; L148-K150 VanDerWaalsContact C-N 3.29Å; L148-K150 PolarHBondContact O-N 2.9Å; L148-I151 HydrophobicContact CD1-CD1 4.03Å; L148-I151 HydrophobicContact CD1-CG1 4.1Å; L148-I151 WeakPolarHBondContact O-CG1 3.32Å; L148-I151 PolarHBondContact O-N 2.96Å; L148-L152 HydrophobicContact CD1-CD1 4.06Å; L148-L152 HydrophobicContact CD1-CG 4.01Å; L148-L152 HydrophobicContact CD2-CD1 4.49Å; L148-L152 HydrophobicContact CG-CD1 3.82Å; L148-L152 HydrophobicContact CG-CG 4.24Å; L148-L152 WeakPolarHBondContact O-CB 3.39Å; L148-L152 WeakPolarHBondContact O-CG 3.38Å; L148-L152 PolarHBondContact O-N 3.47Å; L148-V168 HydrophobicContact CB-CG1 3.82Å; L148-V168 HydrophobicContact CD2-CG1 3.66Å; L148-V168 HydrophobicContact CG-CG1 3.61Å; L148-I171 HydrophobicContact CD2-CG2 4.16Å; L148-K172 HydrophobicContact CD2-CB 3.7Å; L148-K172 HydrophobicContact CD2-CG 4.39Å; L148-E212 HydrophobicContact CD1-CB 3.99Å; L148-C216 HydrophobicContact CB-CB 4.32Å; L148-C216 HydrophobicContact CD1-CB 4.05Å
149M96.2Very high94.9Very high25 Ų2538.6 Ų38.612%0.12320%0.204CC..Hα-helixtrans-57.3-43.9174.1-70.8176.969.100111.6T145 D146 Y147 T153 F159 R165 V168T145-M149 WeakPolarHBondContact O-CG 3.36Å; T145-M149 PolarHBondContact O-N 3.01Å; D146-M149 WeakPolarHBondContact O-CB 3.34Å; D146-M149 PolarHBondContact O-N 3Å; Y147-M149 VanDerWaalsContact C-N 3.32Å; Y147-M149 PolarHBondContact O-N 3.33Å; M149-T153 PolarHBondContact O-N 2.64Å; M149-T153 PolarHBondContact O-OG1 3.03Å; M149-F159 HydrophobicContact CE-CB 4.06Å; M149-F159 WeakPolarHBondContact CE-O 3.27Å; M149-R165 HydrophobicContact CE-CB 4.09Å; M149-R165 HydrophobicContact SD-CB 3.74Å; M149-R165 HydrophobicContact SD-CG 3.59Å; M149-R165 VanDerWaalsContact SD-CG 3.59Å; M149-V168 HydrophobicContact CB-CG1 4.45Å; M149-V168 HydrophobicContact CG-CB 3.7Å; M149-V168 HydrophobicContact CG-CG1 3.58Å; M149-V168 HydrophobicContact CG-CG2 3.76Å
150K95.4Very high94.4Very high119 Ų11944.1 Ų44.152%0.51724%0.238SC..Hα-helixtrans-61-52.8178.3-178.5-175.4172.4-173.10112D146 Y147 L148 L152 T153 E154D146-K150 PolarHBondContact O-N 3.31Å; D146-K150 VanDerWaalsContact O-N 3.1Å; Y147-K150 WeakPolarHBondContact O-CB 3.26Å; Y147-K150 PolarHBondContact O-N 3.38Å; Y147-K150 VanDerWaalsContact O-N 3.15Å; L148-K150 VanDerWaalsContact C-N 3.29Å; L148-K150 PolarHBondContact O-N 2.9Å; K150-L152 VanDerWaalsContact C-N 3.32Å; K150-L152 PolarHBondContact O-N 2.94Å; K150-T153 WeakPolarHBondContact O-CB 3.43Å; K150-T153 PolarHBondContact O-N 2.97Å; K150-T153 VanDerWaalsContact O-N 3.1Å; K150-E154 PolarHBondContact O-N 3.2Å; K150-E154 VanDerWaalsContact O-N 3.1Å
151I96.4Very high93.9Very high2 Ų247.3 Ų47.31%0.0126%0.258CS..Hα-helixtrans-71.7-25.1-177.465-177.5000113Y147 L148 E154 R155 E212 R215 C216Y147-I151 HydrophobicContact CD1-CD1 4.45Å; Y147-I151 HydrophobicContact CD2-CG2 4.15Å; Y147-I151 HydrophobicContact CE1-CD1 4.1Å; Y147-I151 HydrophobicContact CE1-CG2 4.29Å; Y147-I151 HydrophobicContact CE2-CG2 3.55Å; Y147-I151 PolarHBondContact O-N 3.43Å; L148-I151 HydrophobicContact CD1-CD1 4.03Å; L148-I151 HydrophobicContact CD1-CG1 4.1Å; L148-I151 WeakPolarHBondContact O-CG1 3.32Å; L148-I151 PolarHBondContact O-N 2.96Å; I151-E154 PolarHBondContact O-N 2.93Å; I151-R155 PolarHBondContact O-N 3.15Å; I151-E212 HydrophobicContact CB-CG 4.34Å; I151-E212 HydrophobicContact CD1-CB 3.66Å; I151-E212 HydrophobicContact CD1-CG 3.95Å; I151-E212 HydrophobicContact CG1-CB 4Å; I151-E212 HydrophobicContact CG1-CG 3.87Å; I151-R215 HydrophobicContact CD1-CB 4.36Å; I151-C216 HydrophobicContact CD1-CB 4.3Å
152L96.2Very high93.2Very high0 Ų051.6 Ų51.60%028%0.284CS..Hα-helixtrans-69.7-34.9169.3-72.4174.6000112L148 K150 E154 R155 G156 Y157 F159 V168 I209 E212L148-L152 HydrophobicContact CD1-CD1 4.06Å; L148-L152 HydrophobicContact CD1-CG 4.01Å; L148-L152 HydrophobicContact CD2-CD1 4.49Å; L148-L152 HydrophobicContact CG-CD1 3.82Å; L148-L152 HydrophobicContact CG-CG 4.24Å; L148-L152 WeakPolarHBondContact O-CB 3.39Å; L148-L152 WeakPolarHBondContact O-CG 3.38Å; L148-L152 PolarHBondContact O-N 3.47Å; K150-L152 VanDerWaalsContact C-N 3.32Å; K150-L152 PolarHBondContact O-N 2.94Å; L152-E154 VanDerWaalsContact C-N 3.34Å; L152-R155 WeakPolarHBondContact O-CB 3.44Å; L152-R155 PolarHBondContact O-N 2.99Å; L152-G156 PolarHBondContact O-N 3.26Å; L152-Y157 CarbonylContact C-O 3.58Å; L152-Y157 HydrophobicContact CD2-CD2 4.35Å; L152-Y157 PolarHBondContact O-N 3.39Å; L152-F159 HydrophobicContact CB-CD2 4.34Å; L152-F159 HydrophobicContact CB-CE2 4.16Å; L152-F159 HydrophobicContact CD1-CD2 4.33Å; L152-F159 HydrophobicContact CD1-CE2 3.86Å; L152-V168 HydrophobicContact CD1-CG1 4.04Å; L152-V168 HydrophobicContact CD1-CG2 4.24Å; L152-I209 HydrophobicContact CD2-CD1 3.69Å; L152-I209 HydrophobicContact CD2-CG2 4.25Å; L152-E212 HydrophobicContact CD2-CB 4.46Å; L152-E212 HydrophobicContact CD2-CG 4.29Å
153T94.5Very high92.5Very high68 Ų6850.7 Ų50.742%0.41729%0.286SS..Hα-helixtrans-64.9-39.5173.4-55.80000111.2M149 K150 R155 G156 Y157M149-T153 PolarHBondContact O-N 2.64Å; M149-T153 PolarHBondContact O-OG1 3.03Å; K150-T153 WeakPolarHBondContact O-CB 3.43Å; K150-T153 PolarHBondContact O-N 2.97Å; K150-T153 VanDerWaalsContact O-N 3.1Å; T153-R155 PolarHBondContact O-N 2.8Å; T153-G156 WeakPolarHBondContact O-CA 3.47Å; T153-G156 PolarHBondContact O-N 2.85Å; T153-Y157 WeakPolarHBondContact CA-O 3.22Å; T153-Y157 PolarHBondContact N-O 3.28Å; T153-Y157 PolarHBondContact OG1-O 3.45Å
154E92.6Very high92.2Very high120 Ų12051.9 Ų51.956%0.56129%0.29SS*.Hα-helixtrans-60-32.2173.2-66.4168.7-169.500112.5K150 I151 L152 G156K150-E154 PolarHBondContact O-N 3.2Å; K150-E154 VanDerWaalsContact O-N 3.1Å; I151-E154 PolarHBondContact O-N 2.93Å; L152-E154 VanDerWaalsContact C-N 3.34Å; E154-G156 VanDerWaalsContact C-N 3.28Å
155R90.5Very high91.9Very high88 Ų8853.8 Ų53.833%0.33230%0.298SS..THydrogen-bonded Turntrans-78-10.2174.6-158.2-174.9-176.9107.7-1113.4I151 L152 T153 Y157 E196 T208 E212I151-R155 PolarHBondContact O-N 3.15Å; L152-R155 WeakPolarHBondContact O-CB 3.44Å; L152-R155 PolarHBondContact O-N 2.99Å; T153-R155 PolarHBondContact O-N 2.8Å; R155-Y157 HydrophobicContact CB-CD2 4.48Å; R155-Y157 HydrophobicContact CG-CE2 4.48Å; R155-E196 IonicContact NH2-OE1 2.82Å; R155-E196 PolarHBondContact NH2-OE1 2.8Å; R155-T208 PolarHBondContact NE-O 2.8Å; R155-E212 VanDerWaalsContact CD-OE1 3.25Å; R155-E212 WeakPolarHBondContact CD-OE1 3.38Å; R155-E212 IonicContact CZ-OE1 3.39Å; R155-E212 IonicContact CZ-OE2 3.85Å; R155-E212 IonicContact NE-OE1 2.81Å; R155-E212 VanDerWaalsContact NH1-CD 3.27Å; R155-E212 IonicContact NH1-OE1 2.71Å; R155-E212 PolarHBondContact NH1-OE1 3.29Å; R155-E212 IonicContact NH1-OE2 2.92Å; R155-E212 PolarHBondContact NH1-OE2 2.88Å
156G92.8Very high91.5Very high64 Ų6455 Ų5566%0.6630%0.303SS*.THydrogen-bonded Turntrans103.65.3179.300000115.5L152 T153 E154L152-G156 PolarHBondContact O-N 3.26Å; T153-G156 WeakPolarHBondContact O-CA 3.47Å; T153-G156 PolarHBondContact O-N 2.85Å; E154-G156 VanDerWaalsContact C-N 3.28Å
157Y92.1Very high91.4Very high58 Ų5853 Ų5323%0.22729%0.292CS..  trans-96.5111.3172.9-57.6-62.2000110.6L152 T153 R155 I207 T208L152-Y157 CarbonylContact C-O 3.58Å; L152-Y157 HydrophobicContact CD2-CD2 4.35Å; L152-Y157 PolarHBondContact O-N 3.39Å; T153-Y157 WeakPolarHBondContact CA-O 3.22Å; T153-Y157 PolarHBondContact N-O 3.28Å; T153-Y157 PolarHBondContact OG1-O 3.45Å; R155-Y157 HydrophobicContact CB-CD2 4.48Å; R155-Y157 HydrophobicContact CG-CE2 4.48Å; Y157-I207 HydrophobicContact CD1-CB 4.35Å; Y157-I207 HydrophobicContact CD1-CG2 3.88Å; Y157-I207 HydrophobicContact CE1-CB 3.81Å; Y157-I207 HydrophobicContact CE1-CG2 3.55Å; Y157-I207 HydrophobicContact CE2-CB 4.25Å; Y157-T208 WeakPolarHBondContact CE2-O 3.17Å; Y157-T208 PolarHBondContact OH-N 2.88Å; Y157-T208 VanDerWaalsContact OH-N 3.1Å; Y157-T208 PolarHBondContact OH-O 3.15Å
158S90.3Very high91.3Very high79 Ų7952.3 Ų52.355%0.55229%0.289SS*.  trans-93.3120.7-179.3-165.90000111.3V160S158-V160 WeakPolarHBondContact OG-CG2 3.22Å
159F89.8Confident91.3Very high19 Ų1955.7 Ų55.78%0.08330%0.302CS..  trans-121.4110.3173.2-61.4-71.1000107.7M149 L152 E164 V168 L201 I207M149-F159 HydrophobicContact CE-CB 4.06Å; M149-F159 WeakPolarHBondContact CE-O 3.27Å; L152-F159 HydrophobicContact CB-CD2 4.34Å; L152-F159 HydrophobicContact CB-CE2 4.16Å; L152-F159 HydrophobicContact CD1-CD2 4.33Å; L152-F159 HydrophobicContact CD1-CE2 3.86Å; F159-E164 HydrophobicContact CB-CB 3.86Å; F159-E164 HydrophobicContact CD1-CB 3.83Å; F159-E164 HydrophobicContact CD1-CG 4.13Å; F159-E164 HydrophobicContact CG-CB 4.31Å; F159-V168 HydrophobicContact CB-CG2 4.06Å; F159-V168 HydrophobicContact CD1-CG2 4.16Å; F159-V168 HydrophobicContact CD2-CG2 3.51Å; F159-V168 HydrophobicContact CE1-CG2 4.48Å; F159-V168 HydrophobicContact CE2-CG2 3.91Å; F159-V168 HydrophobicContact CG-CG2 3.64Å; F159-V168 HydrophobicContact CZ-CG2 4.37Å; F159-L201 HydrophobicContact CE1-CD2 4.22Å; F159-L201 HydrophobicContact CZ-CD2 4.44Å; F159-I207 HydrophobicContact CZ-CD1 4.01Å
160V85.4Confident91.3Very high116 Ų11656.2 Ų56.270%0.70331%0.306SS*.  trans-115.3-34.3-169-173.60000111.8S158 E164S158-V160 WeakPolarHBondContact OG-CG2 3.22Å; V160-E164 PolarHBondContact N-OE2 3.28Å
161T85.6Confident91.4Very high67 Ų6750.6 Ų50.641%0.41128%0.281SS..SBendtrans-83.5156.3-174.265.10000111.8A163 E164 R165T161-A163 PolarHBondContact O-N 3.11Å; T161-A163 VanDerWaalsContact O-N 3.12Å; T161-A163 PolarHBondContact OG1-N 3.31Å; T161-E164 WeakPolarHBondContact CB-OE2 2.95Å; T161-E164 PolarHBondContact N-OE2 3.02Å; T161-E164 PolarHBondContact O-N 3.11Å; T161-E164 VanDerWaalsContact O-N 3.15Å; T161-E164 WeakPolarHBondContact OG1-CB 3.28Å; T161-E164 VanDerWaalsContact OG1-CG 3.24Å; T161-E164 WeakPolarHBondContact OG1-CG 3.48Å; T161-E164 PolarHBondContact OG1-N 3.06Å; T161-E164 VanDerWaalsContact OG1-N 3.14Å; T161-E164 PolarHBondContact OG1-OE2 2.97Å; T161-R165 PolarHBondContact O-N 3.44Å
162T81.5Confident91.5Very high91 Ų9151 Ų5156%0.55828%0.283SS*.Hα-helixtrans-57.3-25.8168.554.50000111.9
163A82.5Confident91.5Very high27 Ų2755.7 Ų55.722%0.22331%0.305CS..Hα-helixtrans-69.2-44.817800000112.8R21 T161 E166R21-A163 VanDerWaalsContact CZ-O 3.27Å; R21-A163 VanDerWaalsContact NE-CB 3.35Å; R21-A163 VanDerWaalsContact NH1-CA 3.26Å; R21-A163 PolarHBondContact NH1-O 3.35Å; R21-A163 PolarHBondContact NH2-O 3.39Å; T161-A163 PolarHBondContact O-N 3.11Å; T161-A163 VanDerWaalsContact O-N 3.12Å; T161-A163 PolarHBondContact OG1-N 3.31Å; A163-E166 PolarHBondContact O-N 3.29Å
164E88.5Confident91.7Very high61 Ų6158.9 Ų58.929%0.28531%0.313SS..Hα-helixtrans-72.3-32178.2-73.9159161.400112.3F159 V160 T161 E166 I167 V168F159-E164 HydrophobicContact CB-CB 3.86Å; F159-E164 HydrophobicContact CD1-CB 3.83Å; F159-E164 HydrophobicContact CD1-CG 4.13Å; F159-E164 HydrophobicContact CG-CB 4.31Å; V160-E164 PolarHBondContact N-OE2 3.28Å; T161-E164 WeakPolarHBondContact CB-OE2 2.95Å; T161-E164 PolarHBondContact N-OE2 3.02Å; T161-E164 PolarHBondContact O-N 3.11Å; T161-E164 VanDerWaalsContact O-N 3.15Å; T161-E164 WeakPolarHBondContact OG1-CB 3.28Å; T161-E164 VanDerWaalsContact OG1-CG 3.24Å; T161-E164 WeakPolarHBondContact OG1-CG 3.48Å; T161-E164 PolarHBondContact OG1-N 3.06Å; T161-E164 VanDerWaalsContact OG1-N 3.14Å; T161-E164 PolarHBondContact OG1-OE2 2.97Å; E164-E166 PolarHBondContact O-N 3.24Å; E164-I167 WeakPolarHBondContact O-CA 3.11Å; E164-I167 VanDerWaalsContact O-CB 3.3Å; E164-I167 WeakPolarHBondContact O-CB 3.33Å; E164-I167 PolarHBondContact O-N 3.24Å; E164-V168 PolarHBondContact O-N 3.2Å
165R91.3Very high91.9Very high41 Ų4154.3 Ų54.316%0.15529%0.292CS..Hα-helixtrans-52.7-38.7172.7179.8173-165.9-71.1-7.3112.9R142 T145 D146 M149 T161 V168 R169R142-R165 PolarHBondContact O-NH2 2.99Å; R142-R165 VanDerWaalsContact O-NH2 3.15Å; T145-R165 HydrophobicContact CG2-CG 3.99Å; D146-R165 IonicContact OD1-CZ 3.77Å; D146-R165 VanDerWaalsContact OD1-CZ 3.23Å; D146-R165 IonicContact OD1-NE 2.57Å; D146-R165 PolarHBondContact OD1-NE 3.43Å; D146-R165 IonicContact OD1-NH2 3.26Å; D146-R165 PolarHBondContact OD1-NH2 2.98Å; D146-R165 IonicContact OD2-CZ 2.84Å; D146-R165 IonicContact OD2-NH2 3.85Å; D146-R165 PolarHBondContact OD2-NH2 3.14Å; M149-R165 HydrophobicContact CE-CB 4.09Å; M149-R165 HydrophobicContact SD-CB 3.74Å; M149-R165 HydrophobicContact SD-CG 3.59Å; M149-R165 VanDerWaalsContact SD-CG 3.59Å; T161-R165 PolarHBondContact O-N 3.44Å; R165-V168 PolarHBondContact O-N 2.78Å; R165-R169 PolarHBondContact O-N 2.87Å
166E90.1Very high92.3Very high27 Ų2750.3 Ų50.313%0.12628%0.278CS..Hα-helixtrans-70.2-32.3177-70.4-65.2119.100113.4Q18 A163 E164 V168 R169 D170Q18-E166 PolarHBondContact NE2-OE2 3.37Å; A163-E166 PolarHBondContact O-N 3.29Å; E164-E166 PolarHBondContact O-N 3.24Å; E166-V168 VanDerWaalsContact C-N 3.28Å; E166-R169 WeakPolarHBondContact O-CB 3.41Å; E166-R169 PolarHBondContact O-N 2.93Å; E166-R169 IonicContact OE1-NE 2.78Å; E166-R169 IonicContact OE2-CZ 2.73Å; E166-R169 IonicContact OE2-NE 3.81Å; E166-R169 PolarHBondContact OE2-NE 3.05Å; E166-R169 IonicContact OE2-NH2 3.38Å; E166-R169 PolarHBondContact OE2-NH2 3.04Å; E166-D170 PolarHBondContact O-N 3.32Å
167I92.8Very high92.6Very high26 Ų2648.9 Ų48.913%0.13325%0.253CS..Hα-helixtrans-63.6-43.6172.5-56.3173.4000108.5E164 R169 D170 I171 Y199 L201 P202E164-I167 WeakPolarHBondContact O-CA 3.11Å; E164-I167 VanDerWaalsContact O-CB 3.3Å; E164-I167 WeakPolarHBondContact O-CB 3.33Å; E164-I167 PolarHBondContact O-N 3.24Å; I167-R169 VanDerWaalsContact C-N 3.32Å; I167-R169 PolarHBondContact O-N 3.04Å; I167-D170 PolarHBondContact O-N 3.33Å; I167-D170 VanDerWaalsContact O-N 3.11Å; I167-I171 HydrophobicContact CG2-CD1 4.16Å; I167-I171 WeakPolarHBondContact O-CG1 3.15Å; I167-I171 PolarHBondContact O-N 3.47Å; I167-Y199 HydrophobicContact CG2-CE1 3.9Å; I167-L201 HydrophobicContact CG2-CD2 3.63Å; I167-P202 HydrophobicContact CD1-CG 3.86Å; I167-P202 HydrophobicContact CG1-CG 4.25Å
168V96.4Very high92.9Very high0 Ų046.3 Ų46.30%024%0.243CC..Hα-helixtrans-65.5-35.2176.6-177.90000112.2T145 L148 M149 L152 F159 E164 R165 E166 I171 K172T145-V168 HydrophobicContact CG2-CG1 4.43Å; L148-V168 HydrophobicContact CB-CG1 3.82Å; L148-V168 HydrophobicContact CD2-CG1 3.66Å; L148-V168 HydrophobicContact CG-CG1 3.61Å; M149-V168 HydrophobicContact CB-CG1 4.45Å; M149-V168 HydrophobicContact CG-CB 3.7Å; M149-V168 HydrophobicContact CG-CG1 3.58Å; M149-V168 HydrophobicContact CG-CG2 3.76Å; L152-V168 HydrophobicContact CD1-CG1 4.04Å; L152-V168 HydrophobicContact CD1-CG2 4.24Å; F159-V168 HydrophobicContact CB-CG2 4.06Å; F159-V168 HydrophobicContact CD1-CG2 4.16Å; F159-V168 HydrophobicContact CD2-CG2 3.51Å; F159-V168 HydrophobicContact CE1-CG2 4.48Å; F159-V168 HydrophobicContact CE2-CG2 3.91Å; F159-V168 HydrophobicContact CG-CG2 3.64Å; F159-V168 HydrophobicContact CZ-CG2 4.37Å; E164-V168 PolarHBondContact O-N 3.2Å; R165-V168 PolarHBondContact O-N 2.78Å; E166-V168 VanDerWaalsContact C-N 3.28Å; V168-I171 PolarHBondContact O-N 2.73Å; V168-K172 WeakPolarHBondContact O-CB 3.48Å; V168-K172 PolarHBondContact O-N 3.05Å
169R96.3Very high93.2Very high72 Ų7242.7 Ų42.727%0.27222%0.218SC..Hα-helixtrans-61.2-42.5170-172.9-17560.870.32.6111.9T145 R165 E166 I167 K172 E173T145-R169 HydrophobicContact CG2-CB 4.05Å; R165-R169 PolarHBondContact O-N 2.87Å; E166-R169 WeakPolarHBondContact O-CB 3.41Å; E166-R169 PolarHBondContact O-N 2.93Å; E166-R169 IonicContact OE1-NE 2.78Å; E166-R169 IonicContact OE2-CZ 2.73Å; E166-R169 IonicContact OE2-NE 3.81Å; E166-R169 PolarHBondContact OE2-NE 3.05Å; E166-R169 IonicContact OE2-NH2 3.38Å; E166-R169 PolarHBondContact OE2-NH2 3.04Å; I167-R169 VanDerWaalsContact C-N 3.32Å; I167-R169 PolarHBondContact O-N 3.04Å; R169-K172 WeakPolarHBondContact O-CB 3.45Å; R169-K172 PolarHBondContact O-N 3.15Å; R169-E173 WeakPolarHBondContact CG-OE1 3.34Å; R169-E173 IonicContact CZ-OE1 3.64Å; R169-E173 VanDerWaalsContact NH1-CD 3.33Å; R169-E173 IonicContact NH1-OE1 3.63Å; R169-E173 PolarHBondContact NH1-OE1 2.84Å; R169-E173 IonicContact NH1-OE2 2.78Å; R169-E173 PolarHBondContact NH1-OE2 2.78Å; R169-E173 WeakPolarHBondContact O-CG 3.29Å; R169-E173 PolarHBondContact O-N 3.12Å
170D96.1Very high93.6Very high36 Ų3646 Ų4619%0.19324%0.236CC..Hα-helixtrans-67.4-40.2177-175.172.6000112.2E166 I167 K172 E173 K174 Y199E166-D170 PolarHBondContact O-N 3.32Å; I167-D170 PolarHBondContact O-N 3.33Å; I167-D170 VanDerWaalsContact O-N 3.11Å; D170-K172 VanDerWaalsContact C-N 3.32Å; D170-K172 PolarHBondContact O-N 2.74Å; D170-E173 PolarHBondContact O-N 3.15Å; D170-K174 VanDerWaalsContact CG-NZ 3.3Å; D170-K174 WeakPolarHBondContact O-CB 3.41Å; D170-K174 WeakPolarHBondContact O-CG 3.49Å; D170-K174 PolarHBondContact O-N 3Å; D170-K174 WeakPolarHBondContact OD1-CE 3.39Å; D170-K174 IonicContact OD1-NZ 3.88Å; D170-K174 PolarHBondContact OD1-NZ 2.85Å; D170-K174 WeakPolarHBondContact OD2-CD 3.39Å; D170-K174 VanDerWaalsContact OD2-CE 3.3Å; D170-K174 WeakPolarHBondContact OD2-CE 3.4Å; D170-K174 IonicContact OD2-NZ 3.04Å; D170-K174 PolarHBondContact OD2-NZ 3.27Å; D170-Y199 VanDerWaalsContact OD2-CE2 3.29Å; D170-Y199 WeakPolarHBondContact OD2-CE2 3.39Å; D170-Y199 VanDerWaalsContact OD2-CZ 3.31Å; D170-Y199 PolarHBondContact OD2-OH 3.48Å
171I97.4Very high94.2Very high0 Ų043.9 Ų43.90%022%0.221CC..Hα-helixtrans-57.2-47.2171.3-68.3166.2000110.2L148 I167 V168 E173 K174 L175 Y199 I207 I209L148-I171 HydrophobicContact CD2-CG2 4.16Å; I167-I171 HydrophobicContact CG2-CD1 4.16Å; I167-I171 WeakPolarHBondContact O-CG1 3.15Å; I167-I171 PolarHBondContact O-N 3.47Å; V168-I171 PolarHBondContact O-N 2.73Å; I171-E173 PolarHBondContact O-N 3.35Å; I171-K174 PolarHBondContact O-N 3.21Å; I171-L175 HydrophobicContact CG2-CD1 4.33Å; I171-L175 WeakPolarHBondContact O-CB 3.48Å; I171-L175 PolarHBondContact O-N 3.13Å; I171-Y199 HydrophobicContact CD1-CD1 4.06Å; I171-Y199 HydrophobicContact CD1-CE1 4.2Å; I171-Y199 HydrophobicContact CD1-CG 4.38Å; I171-Y199 HydrophobicContact CG1-CD1 3.79Å; I171-Y199 HydrophobicContact CG1-CD2 3.75Å; I171-Y199 HydrophobicContact CG1-CE1 3.81Å; I171-Y199 HydrophobicContact CG1-CE2 3.75Å; I171-Y199 HydrophobicContact CG1-CG 3.77Å; I171-I207 HydrophobicContact CD1-CD1 3.82Å; I171-I209 HydrophobicContact CG2-CD1 4.49Å; I171-I209 HydrophobicContact CG2-CG1 4.04Å
172K98.1Very high94.7Very high10 Ų1041.5 Ų41.54%0.04321%0.205CC..Hα-helixtrans-56.6-48.3177.4-176.3-166.477.6-173.20111.3G141 L144 T145 L148 V168 R169 D170 C176 Y265G141-K172 PolarHBondContact O-NZ 3.2Å; L144-K172 HydrophobicContact CB-CD 4.05Å; T145-K172 PolarHBondContact OG1-NZ 3.1Å; L148-K172 HydrophobicContact CD2-CB 3.7Å; L148-K172 HydrophobicContact CD2-CG 4.39Å; V168-K172 WeakPolarHBondContact O-CB 3.48Å; V168-K172 PolarHBondContact O-N 3.05Å; R169-K172 WeakPolarHBondContact O-CB 3.45Å; R169-K172 PolarHBondContact O-N 3.15Å; D170-K172 VanDerWaalsContact C-N 3.32Å; D170-K172 PolarHBondContact O-N 2.74Å; K172-C176 VanDerWaalsContact O-CB 3.23Å; K172-C176 WeakPolarHBondContact O-CB 3.44Å; K172-C176 PolarHBondContact O-N 3.21Å; K172-Y265 WeakPolarHBondContact CD-OH 3.45Å; K172-Y265 HydrophobicContact CG-CE1 4.14Å; K172-Y265 WeakPolarHBondContact CG-OH 3.39Å
173E97.4Very high95.4Very high99 Ų9943.3 Ų43.346%0.46321%0.207SC..Hα-helixtrans-69.9-35.2-177.3-72.4174.6-155.200112.9R169 D170 I171R169-E173 WeakPolarHBondContact CG-OE1 3.34Å; R169-E173 IonicContact CZ-OE1 3.64Å; R169-E173 VanDerWaalsContact NH1-CD 3.33Å; R169-E173 IonicContact NH1-OE1 3.63Å; R169-E173 PolarHBondContact NH1-OE1 2.84Å; R169-E173 IonicContact NH1-OE2 2.78Å; R169-E173 PolarHBondContact NH1-OE2 2.78Å; R169-E173 WeakPolarHBondContact O-CG 3.29Å; R169-E173 PolarHBondContact O-N 3.12Å; D170-E173 PolarHBondContact O-N 3.15Å; I171-E173 PolarHBondContact O-N 3.35Å
174K97.5Very high96Very high135 Ų13546.7 Ų46.759%0.58722%0.221SC*.Hα-helixtrans-86.8-37.4-176.4-72.9176.5179.8160.90114.4D170 I171 Y199D170-K174 VanDerWaalsContact CG-NZ 3.3Å; D170-K174 WeakPolarHBondContact O-CB 3.41Å; D170-K174 WeakPolarHBondContact O-CG 3.49Å; D170-K174 PolarHBondContact O-N 3Å; D170-K174 WeakPolarHBondContact OD1-CE 3.39Å; D170-K174 IonicContact OD1-NZ 3.88Å; D170-K174 PolarHBondContact OD1-NZ 2.85Å; D170-K174 WeakPolarHBondContact OD2-CD 3.39Å; D170-K174 VanDerWaalsContact OD2-CE 3.3Å; D170-K174 WeakPolarHBondContact OD2-CE 3.4Å; D170-K174 IonicContact OD2-NZ 3.04Å; D170-K174 PolarHBondContact OD2-NZ 3.27Å; I171-K174 PolarHBondContact O-N 3.21Å; K174-Y199 HydrophobicContact CD-CE2 4.21Å
175L97.9Very high96.4Very high24 Ų2445.8 Ų45.813%0.12622%0.217CC..Hα-helixtrans-111.7-24.9-166-59.7-170.1000114.3I171 K197 Y199 I209 R213I171-L175 HydrophobicContact CG2-CD1 4.33Å; I171-L175 WeakPolarHBondContact O-CB 3.48Å; I171-L175 PolarHBondContact O-N 3.13Å; L175-K197 HydrophobicContact CD1-CB 4.22Å; L175-K197 HydrophobicContact CD2-CB 4.2Å; L175-Y199 HydrophobicContact CD1-CD2 4.18Å; L175-Y199 HydrophobicContact CD1-CG 4.49Å; L175-I209 HydrophobicContact CD1-CB 4.35Å; L175-I209 HydrophobicContact CD1-CG1 3.92Å; L175-R213 HydrophobicContact CB-CG 4.4Å; L175-R213 VanDerWaalsContact O-CZ 3.27Å; L175-R213 PolarHBondContact O-NE 3.21Å; L175-R213 PolarHBondContact O-NH2 3.09Å
176C98.4Very high96.7Very high5 Ų546.4 Ų46.43%0.03422%0.222CC..  trans-75.7153-176.9-69.40000112.9K172 R213 P217 Y265K172-C176 VanDerWaalsContact O-CB 3.23Å; K172-C176 WeakPolarHBondContact O-CB 3.44Å; K172-C176 PolarHBondContact O-N 3.21Å; C176-R213 WeakPolarHBondContact CA-O 3.39Å; C176-R213 WeakPolarHBondContact CB-O 3.3Å; C176-R213 PolarHBondContact SG-O 3.22Å; C176-P217 HydrophobicContact CB-CG 4.37Å; C176-Y265 HydrophobicContact CB-CD1 3.93Å; C176-Y265 HydrophobicContact CB-CE1 3.59Å
177Y98.6Very high97Very high34 Ų3447.8 Ų47.813%0.13324%0.238CC..  trans-153.5156.3178.366.2-80.9000110.1E185 R213 F214 P217Y177-E185 WeakPolarHBondContact CE2-OE1 3.18Å; Y177-E185 PolarHBondContact OH-OE1 3.06Å; Y177-R213 HydrophobicContact CD1-CB 4.1Å; Y177-R213 HydrophobicContact CE1-CB 3.85Å; Y177-R213 PolarHBondContact N-O 3.38Å; Y177-R213 VanDerWaalsContact N-O 3.11Å; Y177-F214 HydrophobicContact CD2-CB 4.33Å; Y177-F214 HydrophobicContact CE1-CB 4.16Å; Y177-F214 HydrophobicContact CE1-CD1 4.21Å; Y177-F214 HydrophobicContact CE2-CB 3.98Å; Y177-F214 HydrophobicContact CE2-CD1 4.5Å; Y177-F214 AromaticContact CZ-CD1 3.79Å; Y177-F214 VanDerWaalsContact O-CA 3.27Å; Y177-F214 WeakPolarHBondContact O-CA 3.5Å; Y177-F214 WeakPolarHBondContact O-CB 3.41Å; Y177-F214 WeakPolarHBondContact OH-CD1 3.5Å; Y177-P217 WeakPolarHBondContact O-CG 3.42Å
178V98.6Very high97.1Very high4 Ų448.8 Ų48.82%0.02425%0.245CC..  trans-92.1123.3175.2172.80000108.9P217 F221 Y265 P266 I268 R271V178-P217 HydrophobicContact CG2-CB 3.84Å; V178-P217 HydrophobicContact CG2-CG 4.24Å; V178-F221 HydrophobicContact CG1-CE2 3.64Å; V178-F221 HydrophobicContact CG1-CZ 4.07Å; V178-F221 HydrophobicContact CG2-CE2 4.18Å; V178-Y265 HydrophobicContact CG2-CD2 4.46Å; V178-Y265 HydrophobicContact CG2-CG 4.33Å; V178-P266 PolarHBondContact N-O 3.08Å; V178-I268 HydrophobicContact CB-CB 4.37Å; V178-I268 HydrophobicContact CG2-CB 4.04Å; V178-I268 HydrophobicContact CG2-CG1 4.23Å; V178-R271 HydrophobicContact CG1-CB 3.54Å; V178-R271 HydrophobicContact CG1-CG 3.73Å
179A98Very high97Very high3 Ų350 Ų503%0.02526%0.256CS..  trans-76.3142.3173.600000111E185 F214 R271A179-E185 HydrophobicContact CB-CB 3.81Å; A179-E185 HydrophobicContact CB-CG 3.83Å; A179-F214 HydrophobicContact CB-CB 4.35Å; A179-F214 HydrophobicContact CB-CD2 4.44Å; A179-R271 WeakPolarHBondContact O-CD 3.16Å; A179-R271 PolarHBondContact O-NH1 2.94Å
180L97.4Very high96.9Very high89 Ų8951 Ų5147%0.46628%0.279SS..SBendtrans-71.4-33.8175.7-175.965.5000112.2D270 R271 K274L180-D270 HydrophobicContact CD1-CB 4.24Å; L180-R271 WeakPolarHBondContact O-CD 3.29Å; L180-K274 HydrophobicContact CD1-CB 4.04Å; L180-K274 HydrophobicContact CD1-CD 3.8Å; L180-K274 HydrophobicContact CG-CD 4.08Å; L180-K274 PolarHBondContact O-NZ 2.98Å
181D97.2Very high96.7Very high71 Ų7154 Ų5438%0.3830%0.303SS..SBendtrans-134.8101.6175.1-165.8-55.2000108.6E183 N184 E185 K274D181-E183 PolarHBondContact O-N 3.39Å; D181-E183 PolarHBondContact OD1-N 3.16Å; D181-N184 HydrophobicContact CB-CB 4.11Å; D181-N184 PolarHBondContact OD1-N 3.07Å; D181-N184 VanDerWaalsContact OD1-N 3.12Å; D181-E185 WeakPolarHBondContact O-CB 3.46Å; D181-E185 PolarHBondContact O-N 2.79Å; D181-K274 IonicContact OD2-NZ 3.36Å; D181-K274 PolarHBondContact OD2-NZ 3.5Å
182F96.4Very high96.4Very high16 Ų1656.4 Ų56.47%0.0732%0.32CS..Hα-helixtrans-63.1-42-172.7177.9-101.8000112.7E185 M186 F214 R215 E218 F225F182-E185 PolarHBondContact O-N 3.5Å; F182-M186 HydrophobicContact CD1-CG 4.28Å; F182-M186 HydrophobicContact CE1-CG 3.8Å; F182-M186 HydrophobicContact CE2-CG 4.15Å; F182-M186 HydrophobicContact CE2-SD 4.36Å; F182-M186 HydrophobicContact CZ-CG 3.72Å; F182-M186 HydrophobicContact CZ-SD 4.01Å; F182-M186 WeakPolarHBondContact O-CG 3.13Å; F182-M186 PolarHBondContact O-N 3.23Å; F182-F214 AromaticContact CD2-CD2 3.82Å; F182-F214 HydrophobicContact CD2-CD2 3.82Å; F182-F214 HydrophobicContact CD2-CE2 4.09Å; F182-F214 AromaticContact CE2-CD2 3.71Å; F182-F214 HydrophobicContact CE2-CD2 3.71Å; F182-F214 AromaticContact CE2-CE2 3.82Å; F182-F214 HydrophobicContact CE2-CE2 3.82Å; F182-R215 HydrophobicContact CE2-CG 3.92Å; F182-R215 HydrophobicContact CZ-CG 3.99Å; F182-E218 HydrophobicContact CB-CG 4.47Å; F182-E218 HydrophobicContact CD1-CG 4.27Å; F182-E218 HydrophobicContact CD2-CB 3.82Å; F182-E218 HydrophobicContact CD2-CG 3.5Å; F182-E218 VanDerWaalsContact CD2-CG 3.5Å; F182-E218 HydrophobicContact CE1-CG 4.42Å; F182-E218 HydrophobicContact CE2-CB 3.77Å; F182-E218 HydrophobicContact CE2-CG 3.7Å; F182-E218 HydrophobicContact CG-CG 3.81Å; F182-E218 HydrophobicContact CZ-CG 4.16Å; F182-F225 HydrophobicContact CE1-CE2 4.39Å; F182-F225 AromaticContact CE1-CZ 3.94Å; F182-F225 HydrophobicContact CE1-CZ 3.94Å; F182-F225 HydrophobicContact CE2-CE2 4.45Å; F182-F225 AromaticContact CZ-CE2 3.89Å; F182-F225 HydrophobicContact CZ-CE2 3.89Å; F182-F225 AromaticContact CZ-CZ 3.89Å; F182-F225 HydrophobicContact CZ-CZ 3.89Å
183E96.3Very high96.1Very high129 Ų12960 Ų6060%0.60335%0.346SS*.Hα-helixtrans-67.3-42.8-177.5-64.1-57.6146.200111.6D181 E185 M186 A187D181-E183 PolarHBondContact O-N 3.39Å; D181-E183 PolarHBondContact OD1-N 3.16Å; E183-E185 VanDerWaalsContact C-N 3.35Å; E183-M186 PolarHBondContact O-N 3.13Å; E183-A187 PolarHBondContact O-N 3.45Å
184N95.9Very high95.8Very high99 Ų9959.2 Ų59.253%0.52935%0.352SS..Hα-helixtrans-67-37175.5-173.145.4000112.2D181 A187 T188D181-N184 HydrophobicContact CB-CB 4.11Å; D181-N184 PolarHBondContact OD1-N 3.07Å; D181-N184 VanDerWaalsContact OD1-N 3.12Å; N184-A187 PolarHBondContact O-N 2.97Å; N184-T188 PolarHBondContact O-N 2.97Å; N184-T188 PolarHBondContact O-OG1 3.39Å
185E96.8Very high95.5Very high41 Ų4154.2 Ų54.219%0.19233%0.331CS..Hα-helixtrans-64.7-40.3175.4-160.378.8-172.200111.2Y177 A179 D181 F182 E183 T188 A189 L195 F214Y177-E185 WeakPolarHBondContact CE2-OE1 3.18Å; Y177-E185 PolarHBondContact OH-OE1 3.06Å; A179-E185 HydrophobicContact CB-CB 3.81Å; A179-E185 HydrophobicContact CB-CG 3.83Å; D181-E185 WeakPolarHBondContact O-CB 3.46Å; D181-E185 PolarHBondContact O-N 2.79Å; F182-E185 PolarHBondContact O-N 3.5Å; E183-E185 VanDerWaalsContact C-N 3.35Å; E185-T188 PolarHBondContact O-N 2.73Å; E185-A189 WeakPolarHBondContact O-CB 3.4Å; E185-A189 PolarHBondContact O-N 3.32Å; E185-L195 HydrophobicContact CG-CD1 4.25Å; E185-F214 HydrophobicContact CB-CD2 4.22Å; E185-F214 HydrophobicContact CB-CE2 3.9Å; E185-F214 HydrophobicContact CB-CZ 4.08Å; E185-F214 HydrophobicContact CG-CD1 3.8Å; E185-F214 HydrophobicContact CG-CD2 3.91Å; E185-F214 HydrophobicContact CG-CE1 3.67Å; E185-F214 HydrophobicContact CG-CE2 3.8Å; E185-F214 HydrophobicContact CG-CG 3.91Å; E185-F214 HydrophobicContact CG-CZ 3.68Å
186M96.8Very high95.4Very high55 Ų5557 Ų5727%0.27134%0.344SS..Hα-helixtrans-60.8-44.7172.8-78.3-60.3-63.900112.2F182 E183 T188 A189 A190 N211 F214 R215F182-M186 HydrophobicContact CD1-CG 4.28Å; F182-M186 HydrophobicContact CE1-CG 3.8Å; F182-M186 HydrophobicContact CE2-CG 4.15Å; F182-M186 HydrophobicContact CE2-SD 4.36Å; F182-M186 HydrophobicContact CZ-CG 3.72Å; F182-M186 HydrophobicContact CZ-SD 4.01Å; F182-M186 WeakPolarHBondContact O-CG 3.13Å; F182-M186 PolarHBondContact O-N 3.23Å; E183-M186 PolarHBondContact O-N 3.13Å; M186-T188 VanDerWaalsContact C-N 3.31Å; M186-T188 PolarHBondContact O-N 2.67Å; M186-A189 PolarHBondContact O-N 3.07Å; M186-A190 PolarHBondContact O-N 3.2Å; M186-N211 HydrophobicContact SD-CB 4.33Å; M186-F214 HydrophobicContact CG-CE2 3.82Å; M186-F214 HydrophobicContact CG-CZ 4.28Å; M186-F214 HydrophobicContact SD-CE2 3.51Å; M186-F214 VanDerWaalsContact SD-CE2 3.51Å; M186-F214 HydrophobicContact SD-CZ 3.7Å; M186-R215 HydrophobicContact SD-CG 3.84Å
187A96.4Very high95.3Very high56 Ų5662 Ų6246%0.46337%0.365SS..Hα-helixtrans-63.2-37.9176.400000112.3E183 N184 A190 S191E183-A187 PolarHBondContact O-N 3.45Å; N184-A187 PolarHBondContact O-N 2.97Å; A187-A190 PolarHBondContact O-N 3.21Å; A187-S191 PolarHBondContact O-N 2.89Å; A187-S191 PolarHBondContact O-OG 2.87Å
188T95.2Very high95.2Very high46 Ų4664 Ų6428%0.28238%0.384SS..Hα-helixtrans-66.5-44.1175.5-570000111.1N184 E185 M186 A190 S191 S192 L195N184-T188 PolarHBondContact O-N 2.97Å; N184-T188 PolarHBondContact O-OG1 3.39Å; E185-T188 PolarHBondContact O-N 2.73Å; M186-T188 VanDerWaalsContact C-N 3.31Å; M186-T188 PolarHBondContact O-N 2.67Å; T188-A190 VanDerWaalsContact C-N 3.27Å; T188-A190 PolarHBondContact O-N 3.45Å; T188-S191 PolarHBondContact O-N 3.25Å; T188-S191 VanDerWaalsContact O-N 3.14Å; T188-S191 PolarHBondContact O-OG 3.37Å; T188-S191 VanDerWaalsContact O-OG 3.13Å; T188-S192 PolarHBondContact O-N 3.48Å; T188-L195 HydrophobicContact CG2-CD1 3.98Å; T188-L195 HydrophobicContact CG2-CG 4.43Å
189A94.3Very high95.1Very high26 Ų2665.2 Ų65.222%0.21539%0.389CS..Hα-helixtrans-64.5-30.417700000113.1E185 M186 S191 L195 N211 F214E185-A189 WeakPolarHBondContact O-CB 3.4Å; E185-A189 PolarHBondContact O-N 3.32Å; M186-A189 PolarHBondContact O-N 3.07Å; A189-S191 VanDerWaalsContact C-N 3.34Å; A189-L195 HydrophobicContact CB-CD1 3.99Å; A189-N211 HydrophobicContact CB-CB 3.9Å; A189-F214 HydrophobicContact CB-CE1 4.11Å; A189-F214 HydrophobicContact CB-CZ 4.01Å
190A94.1Very high95Very high92 Ų9271.7 Ų71.776%0.7642%0.418SS*.Hα-helixtrans-73.8-24.9175.500000113.2M186 A187 T188M186-A190 PolarHBondContact O-N 3.2Å; A187-A190 PolarHBondContact O-N 3.21Å; T188-A190 VanDerWaalsContact C-N 3.27Å; T188-A190 PolarHBondContact O-N 3.45Å
191S93Very high94.8Very high101 Ų10168.3 Ų68.371%0.70640%0.401SS*.Hα-helixtrans-104.3-12.8-175.855.30000114A187 T188 A189A187-S191 PolarHBondContact O-N 2.89Å; A187-S191 PolarHBondContact O-OG 2.87Å; T188-S191 PolarHBondContact O-N 3.25Å; T188-S191 VanDerWaalsContact O-N 3.14Å; T188-S191 PolarHBondContact O-OG 3.37Å; T188-S191 VanDerWaalsContact O-OG 3.13Å; A189-S191 VanDerWaalsContact C-N 3.34Å
192S91.3Very high94.4Very high50 Ų5070.2 Ų70.235%0.3542%0.417SS..  trans-148142.9-174.6-174.60000112.9T188 S194T188-S192 PolarHBondContact O-N 3.48Å; S192-S194 VanDerWaalsContact C-N 3.3Å; S192-S194 VanDerWaalsContact OG-CB 3.3Å; S192-S194 WeakPolarHBondContact OG-CB 3.3Å; S192-S194 PolarHBondContact OG-N 2.92Å; S192-S194 VanDerWaalsContact OG-N 3.09Å; S192-S194 PolarHBondContact OG-OG 3.23Å
193S90.8Very high94.1Very high84 Ų8475 Ų7559%0.58744%0.443SS*.SBendtrans-86.24.2168.756.40000113.8L195 E196S193-L195 PolarHBondContact O-N 3.42Å; S193-L195 VanDerWaalsContact O-N 3.13Å; S193-E196 WeakPolarHBondContact O-CB 3.35Å; S193-E196 WeakPolarHBondContact O-CG 3.32Å; S193-E196 PolarHBondContact O-N 3.44Å
194S90.7Very high93.9Very high84 Ų8470.9 Ų70.959%0.58744%0.435SS*.THydrogen-bonded Turntrans-61.5-22.3-178.655.90000114.3S192S192-S194 VanDerWaalsContact C-N 3.3Å; S192-S194 VanDerWaalsContact OG-CB 3.3Å; S192-S194 WeakPolarHBondContact OG-CB 3.3Å; S192-S194 PolarHBondContact OG-N 2.92Å; S192-S194 VanDerWaalsContact OG-N 3.09Å; S192-S194 PolarHBondContact OG-OG 3.23Å
195L92Very high93.8Very high30 Ų3071.1 Ų71.116%0.15743%0.433CS..THydrogen-bonded Turntrans-86.7-7.8177.1-57.7179.5000112.9E185 T188 A189 S193 R213 F214E185-L195 HydrophobicContact CG-CD1 4.25Å; T188-L195 HydrophobicContact CG2-CD1 3.98Å; T188-L195 HydrophobicContact CG2-CG 4.43Å; A189-L195 HydrophobicContact CB-CD1 3.99Å; S193-L195 PolarHBondContact O-N 3.42Å; S193-L195 VanDerWaalsContact O-N 3.13Å; L195-R213 PolarHBondContact O-NH1 3.15Å; L195-F214 HydrophobicContact CD1-CE1 4.3Å
196E94.9Very high93.7Very high82 Ų8273.2 Ų73.238%0.38345%0.449SS..  trans-72.8143.1179.1-60.9-166.2142.900111.6R155 S193 T208 I209R155-E196 IonicContact NH2-OE1 2.82Å; R155-E196 PolarHBondContact NH2-OE1 2.8Å; S193-E196 WeakPolarHBondContact O-CB 3.35Å; S193-E196 WeakPolarHBondContact O-CG 3.32Å; S193-E196 PolarHBondContact O-N 3.44Å; E196-T208 HydrophobicContact CB-CG2 3.79Å; E196-T208 HydrophobicContact CG-CG2 4.22Å; E196-I209 WeakPolarHBondContact CA-O 3.08Å
197K96.6Very high93.7Very high109 Ų10970.7 Ų70.747%0.47444%0.436SS..EExtended strand (participates in β ladder)trans-132.5140.5173.2-74.4-69.6-176.8178.80110.2L175 I209 R213L175-K197 HydrophobicContact CD1-CB 4.22Å; L175-K197 HydrophobicContact CD2-CB 4.2Å; K197-I209 PolarHBondContact N-O 2.78Å; K197-I209 PolarHBondContact O-N 2.9Å; K197-R213 VanDerWaalsContact CG-CZ 3.44Å
198S96.3Very high93.6Very high78 Ų7870 Ų7055%0.54543%0.426SS..EExtended strand (participates in β ladder)trans-87.7146.8173.6-57.20000111I207S198-I207 CarbonylContact C-O 3.54Å; S198-I207 VanDerWaalsContact CA-O 3.27Å; S198-I207 WeakPolarHBondContact CA-O 3.38Å
199Y96.8Very high93.7Very high29 Ų2967.8 Ų67.811%0.11441%0.412CS..EExtended strand (participates in β ladder)trans-132.7134174.7-176.9-88000109I167 D170 I171 K174 L175 L201 V206 I207I167-Y199 HydrophobicContact CG2-CE1 3.9Å; D170-Y199 VanDerWaalsContact OD2-CE2 3.29Å; D170-Y199 WeakPolarHBondContact OD2-CE2 3.39Å; D170-Y199 VanDerWaalsContact OD2-CZ 3.31Å; D170-Y199 PolarHBondContact OD2-OH 3.48Å; I171-Y199 HydrophobicContact CD1-CD1 4.06Å; I171-Y199 HydrophobicContact CD1-CE1 4.2Å; I171-Y199 HydrophobicContact CD1-CG 4.38Å; I171-Y199 HydrophobicContact CG1-CD1 3.79Å; I171-Y199 HydrophobicContact CG1-CD2 3.75Å; I171-Y199 HydrophobicContact CG1-CE1 3.81Å; I171-Y199 HydrophobicContact CG1-CE2 3.75Å; I171-Y199 HydrophobicContact CG1-CG 3.77Å; K174-Y199 HydrophobicContact CD-CE2 4.21Å; L175-Y199 HydrophobicContact CD1-CD2 4.18Å; L175-Y199 HydrophobicContact CD1-CG 4.49Å; Y199-L201 HydrophobicContact CD1-CD2 4.11Å; Y199-L201 HydrophobicContact CE1-CD2 4.06Å; Y199-V206 CarbonylContact O-C 3.5Å; Y199-V206 WeakPolarHBondContact O-CA 3.34Å; Y199-I207 HydrophobicContact CD1-CD1 4.42Å; Y199-I207 HydrophobicContact CD1-CG1 4.34Å; Y199-I207 PolarHBondContact N-O 2.94Å; Y199-I207 PolarHBondContact O-N 2.98Å
200E96Very high93.8Very high139 Ų13966.7 Ų66.765%0.6540%0.404SS*.EExtended strand (participates in β ladder)trans-93.8119.6177.2-171.6178.4166.300109.9V206E200-V206 HydrophobicContact CB-CG2 4.47Å; E200-V206 HydrophobicContact CG-CG2 4.4Å
201L93Very high93.9Very high18 Ų1864.1 Ų64.19%0.09438%0.377CS..  trans-73.4160.6176.1-66.7177.9000111.1F159 I167 Y199 D203 G204 Q205 I207F159-L201 HydrophobicContact CE1-CD2 4.22Å; F159-L201 HydrophobicContact CZ-CD2 4.44Å; I167-L201 HydrophobicContact CG2-CD2 3.63Å; Y199-L201 HydrophobicContact CD1-CD2 4.11Å; Y199-L201 HydrophobicContact CE1-CD2 4.06Å; L201-D203 WeakPolarHBondContact CB-OD1 3.37Å; L201-D203 PolarHBondContact O-N 3.15Å; L201-D203 VanDerWaalsContact O-N 3.07Å; L201-G204 PolarHBondContact O-N 2.95Å; L201-Q205 HydrophobicContact CB-CB 4.41Å; L201-Q205 VanDerWaalsContact CB-O 3.29Å; L201-Q205 WeakPolarHBondContact CB-O 3.39Å; L201-Q205 HydrophobicContact CD1-CB 4.13Å; L201-Q205 HydrophobicContact CD1-CG 4.32Å; L201-Q205 WeakPolarHBondContact CG-O 3.43Å; L201-Q205 PolarHBondContact N-O 3.14Å; L201-I207 HydrophobicContact CD1-CG2 3.7Å; L201-I207 HydrophobicContact CD2-CD1 4Å; L201-I207 HydrophobicContact CG-CD1 4.38Å; L201-I207 HydrophobicContact CG-CG1 4.45Å; L201-I207 HydrophobicContact CG-CG2 4.13Å
202P89.9Confident94.1Very high110 Ų11059.7 Ų59.771%0.71435%0.345SS*.THydrogen-bonded Turntrans-60-19.4-179.7-25.735.7000115.6I167 G204I167-P202 HydrophobicContact CD1-CG 3.86Å; I167-P202 HydrophobicContact CG1-CG 4.25Å; P202-G204 VanDerWaalsContact C-N 3.32Å
203D89.4Confident94.4Very high117 Ų11758.8 Ų58.863%0.62633%0.334SS*.THydrogen-bonded Turntrans-88.11.1175.262.4-0.7000113.3L201 Q205L201-D203 WeakPolarHBondContact CB-OD1 3.37Å; L201-D203 PolarHBondContact O-N 3.15Å; L201-D203 VanDerWaalsContact O-N 3.07Å; D203-Q205 VanDerWaalsContact C-N 3.34Å; D203-Q205 VanDerWaalsContact OD1-CB 3.27Å; D203-Q205 WeakPolarHBondContact OD1-CB 3.34Å; D203-Q205 PolarHBondContact OD1-N 2.7Å
204G91.9Very high94.8Very high42 Ų4254.8 Ų54.843%0.43331%0.306SS..SBendtrans85.8-1.1-177.100000114.2L201 P202 V206L201-G204 PolarHBondContact O-N 2.95Å; P202-G204 VanDerWaalsContact C-N 3.32Å; G204-V206 PolarHBondContact O-N 3.28Å
205Q93.6Very high95.1Very high104 Ų10453.3 Ų53.349%0.48629%0.288SS..  trans-71.4130.2175.6179.7178.7-6.300110.4L201 D203 I207L201-Q205 HydrophobicContact CB-CB 4.41Å; L201-Q205 VanDerWaalsContact CB-O 3.29Å; L201-Q205 WeakPolarHBondContact CB-O 3.39Å; L201-Q205 HydrophobicContact CD1-CB 4.13Å; L201-Q205 HydrophobicContact CD1-CG 4.32Å; L201-Q205 WeakPolarHBondContact CG-O 3.43Å; L201-Q205 PolarHBondContact N-O 3.14Å; D203-Q205 VanDerWaalsContact C-N 3.34Å; D203-Q205 VanDerWaalsContact OD1-CB 3.27Å; D203-Q205 WeakPolarHBondContact OD1-CB 3.34Å; D203-Q205 PolarHBondContact OD1-N 2.7Å; Q205-I207 HydrophobicContact CG-CG2 4.47Å
206V95.5Very high95.4Very high86 Ų8651.9 Ų51.952%0.52128%0.28SS..EExtended strand (participates in β ladder)trans-94.3123.5175.7-177.30000110Y199 E200 G204Y199-V206 CarbonylContact O-C 3.5Å; Y199-V206 WeakPolarHBondContact O-CA 3.34Å; E200-V206 HydrophobicContact CB-CG2 4.47Å; E200-V206 HydrophobicContact CG-CG2 4.4Å; G204-V206 PolarHBondContact O-N 3.28Å
207I95.3Very high95.6Very high1 Ų148 Ų481%0.00526%0.262CS..EExtended strand (participates in β ladder)trans-109.1150.7174.564.8172.9000110.7Y157 F159 I171 S198 Y199 L201 Q205 I209Y157-I207 HydrophobicContact CD1-CB 4.35Å; Y157-I207 HydrophobicContact CD1-CG2 3.88Å; Y157-I207 HydrophobicContact CE1-CB 3.81Å; Y157-I207 HydrophobicContact CE1-CG2 3.55Å; Y157-I207 HydrophobicContact CE2-CB 4.25Å; F159-I207 HydrophobicContact CZ-CD1 4.01Å; I171-I207 HydrophobicContact CD1-CD1 3.82Å; S198-I207 CarbonylContact C-O 3.54Å; S198-I207 VanDerWaalsContact CA-O 3.27Å; S198-I207 WeakPolarHBondContact CA-O 3.38Å; Y199-I207 HydrophobicContact CD1-CD1 4.42Å; Y199-I207 HydrophobicContact CD1-CG1 4.34Å; Y199-I207 PolarHBondContact N-O 2.94Å; Y199-I207 PolarHBondContact O-N 2.98Å; L201-I207 HydrophobicContact CD1-CG2 3.7Å; L201-I207 HydrophobicContact CD2-CD1 4Å; L201-I207 HydrophobicContact CG-CD1 4.38Å; L201-I207 HydrophobicContact CG-CG1 4.45Å; L201-I207 HydrophobicContact CG-CG2 4.13Å; Q205-I207 HydrophobicContact CG-CG2 4.47Å; I207-I209 HydrophobicContact CD1-CD1 3.65Å; I207-I209 HydrophobicContact CG1-CD1 3.92Å
208T96.1Very high95.6Very high41 Ų4142.8 Ų42.825%0.25224%0.24SC..EExtended strand (participates in β ladder)trans-107.4123.7177-60.90000110.6R155 Y157 E196R155-T208 PolarHBondContact NE-O 2.8Å; Y157-T208 WeakPolarHBondContact CE2-O 3.17Å; Y157-T208 PolarHBondContact OH-N 2.88Å; Y157-T208 VanDerWaalsContact OH-N 3.1Å; Y157-T208 PolarHBondContact OH-O 3.15Å; E196-T208 HydrophobicContact CB-CG2 3.79Å; E196-T208 HydrophobicContact CG-CG2 4.22Å
209I96.6Very high95.7Very high0 Ų039 Ų390%021%0.214CC..EExtended strand (participates in β ladder)trans-106.6125175.5-42.1-49.5000108.5L152 I171 L175 E196 K197 I207 E212 R213L152-I209 HydrophobicContact CD2-CD1 3.69Å; L152-I209 HydrophobicContact CD2-CG2 4.25Å; I171-I209 HydrophobicContact CG2-CD1 4.49Å; I171-I209 HydrophobicContact CG2-CG1 4.04Å; L175-I209 HydrophobicContact CD1-CB 4.35Å; L175-I209 HydrophobicContact CD1-CG1 3.92Å; E196-I209 WeakPolarHBondContact CA-O 3.08Å; K197-I209 PolarHBondContact N-O 2.78Å; K197-I209 PolarHBondContact O-N 2.9Å; I207-I209 HydrophobicContact CD1-CD1 3.65Å; I207-I209 HydrophobicContact CG1-CD1 3.92Å; I209-E212 HydrophobicContact CG2-CB 4.07Å; I209-R213 HydrophobicContact CB-CG 4.07Å; I209-R213 HydrophobicContact CG2-CG 3.55Å; I209-R213 WeakPolarHBondContact O-CD 3.4Å
210G96Very high95.8Very high3 Ų337.8 Ų37.83%0.03121%0.209CC..  trans-109.2-115.3-17700000112E212 R213G210-E212 VanDerWaalsContact C-OE2 3.23Å; G210-E212 WeakPolarHBondContact CA-OE2 3.41Å; G210-E212 PolarHBondContact N-OE2 3.43Å; G210-E212 PolarHBondContact O-N 3.44Å; G210-R213 WeakPolarHBondContact O-CB 3.46Å; G210-R213 WeakPolarHBondContact O-CD 3.32Å; G210-R213 WeakPolarHBondContact O-CG 3.37Å; G210-R213 PolarHBondContact O-N 3.16Å
211N96.6Very high95.9Very high39 Ų3931.4 Ų31.421%0.20918%0.179CC..THydrogen-bonded Turntrans-67.3-15.8-176.267.725.2000114.1M186 A189 R213 F214 R215M186-N211 HydrophobicContact SD-CB 4.33Å; A189-N211 HydrophobicContact CB-CB 3.9Å; N211-R213 PolarHBondContact O-N 2.89Å; N211-R213 VanDerWaalsContact O-N 3.14Å; N211-F214 VanDerWaalsContact CA-CE1 3.49Å; N211-F214 HydrophobicContact CB-CE1 3.69Å; N211-F214 HydrophobicContact CB-CZ 3.67Å; N211-F214 PolarHBondContact O-N 3.08Å; N211-R215 WeakPolarHBondContact O-CB 3.42Å; N211-R215 VanDerWaalsContact O-CG 3.28Å; N211-R215 WeakPolarHBondContact O-CG 3.47Å; N211-R215 PolarHBondContact O-N 3.43Å; N211-R215 VanDerWaalsContact OD1-CD 3.25Å; N211-R215 WeakPolarHBondContact OD1-CD 3.29Å; N211-R215 PolarHBondContact OD1-NH1 2.92Å
212E97.3Very high96.1Very high8 Ų833.4 Ų33.44%0.03719%0.188CC..Hα-helixtrans-58.9-27.8175.3-55.578.5-16900111.2L148 I151 L152 R155 I209 G210 F214 C216L148-E212 HydrophobicContact CD1-CB 3.99Å; I151-E212 HydrophobicContact CB-CG 4.34Å; I151-E212 HydrophobicContact CD1-CB 3.66Å; I151-E212 HydrophobicContact CD1-CG 3.95Å; I151-E212 HydrophobicContact CG1-CB 4Å; I151-E212 HydrophobicContact CG1-CG 3.87Å; L152-E212 HydrophobicContact CD2-CB 4.46Å; L152-E212 HydrophobicContact CD2-CG 4.29Å; R155-E212 VanDerWaalsContact CD-OE1 3.25Å; R155-E212 WeakPolarHBondContact CD-OE1 3.38Å; R155-E212 IonicContact CZ-OE1 3.39Å; R155-E212 IonicContact CZ-OE2 3.85Å; R155-E212 IonicContact NE-OE1 2.81Å; R155-E212 VanDerWaalsContact NH1-CD 3.27Å; R155-E212 IonicContact NH1-OE1 2.71Å; R155-E212 PolarHBondContact NH1-OE1 3.29Å; R155-E212 IonicContact NH1-OE2 2.92Å; R155-E212 PolarHBondContact NH1-OE2 2.88Å; I209-E212 HydrophobicContact CG2-CB 4.07Å; G210-E212 VanDerWaalsContact C-OE2 3.23Å; G210-E212 WeakPolarHBondContact CA-OE2 3.41Å; G210-E212 PolarHBondContact N-OE2 3.43Å; G210-E212 PolarHBondContact O-N 3.44Å; E212-F214 VanDerWaalsContact C-N 3.28Å; E212-F214 PolarHBondContact O-N 3.4Å; E212-C216 VanDerWaalsContact O-CB 3.27Å; E212-C216 WeakPolarHBondContact O-CB 3.1Å; E212-C216 PolarHBondContact O-N 3.49Å
213R98Very high96.4Very high31 Ų3128.4 Ų28.412%0.11716%0.155CC..Hα-helixtrans-56.5-38.9178.6-64.8176.764.3-137.3-11.2112.8L175 C176 Y177 L195 K197 I209 G210 N211 P217L175-R213 HydrophobicContact CB-CG 4.4Å; L175-R213 VanDerWaalsContact O-CZ 3.27Å; L175-R213 PolarHBondContact O-NE 3.21Å; L175-R213 PolarHBondContact O-NH2 3.09Å; C176-R213 WeakPolarHBondContact CA-O 3.39Å; C176-R213 WeakPolarHBondContact CB-O 3.3Å; C176-R213 PolarHBondContact SG-O 3.22Å; Y177-R213 HydrophobicContact CD1-CB 4.1Å; Y177-R213 HydrophobicContact CE1-CB 3.85Å; Y177-R213 PolarHBondContact N-O 3.38Å; Y177-R213 VanDerWaalsContact N-O 3.11Å; L195-R213 PolarHBondContact O-NH1 3.15Å; K197-R213 VanDerWaalsContact CG-CZ 3.44Å; I209-R213 HydrophobicContact CB-CG 4.07Å; I209-R213 HydrophobicContact CG2-CG 3.55Å; I209-R213 WeakPolarHBondContact O-CD 3.4Å; G210-R213 WeakPolarHBondContact O-CB 3.46Å; G210-R213 WeakPolarHBondContact O-CD 3.32Å; G210-R213 WeakPolarHBondContact O-CG 3.37Å; G210-R213 PolarHBondContact O-N 3.16Å; N211-R213 PolarHBondContact O-N 2.89Å; N211-R213 VanDerWaalsContact O-N 3.14Å; R213-P217 WeakPolarHBondContact O-CD 3.38Å
214F98.1Very high96.8Very high0 Ų026.6 Ų26.60%015%0.152CC..Hα-helixtrans-108.8-22.6179.764.6-94.9000113.4Y177 A179 F182 E185 M186 A189 L195 N211 E212 C216 P217 E218Y177-F214 HydrophobicContact CD2-CB 4.33Å; Y177-F214 HydrophobicContact CE1-CB 4.16Å; Y177-F214 HydrophobicContact CE1-CD1 4.21Å; Y177-F214 HydrophobicContact CE2-CB 3.98Å; Y177-F214 HydrophobicContact CE2-CD1 4.5Å; Y177-F214 AromaticContact CZ-CD1 3.79Å; Y177-F214 VanDerWaalsContact O-CA 3.27Å; Y177-F214 WeakPolarHBondContact O-CA 3.5Å; Y177-F214 WeakPolarHBondContact O-CB 3.41Å; Y177-F214 WeakPolarHBondContact OH-CD1 3.5Å; A179-F214 HydrophobicContact CB-CB 4.35Å; A179-F214 HydrophobicContact CB-CD2 4.44Å; F182-F214 AromaticContact CD2-CD2 3.82Å; F182-F214 HydrophobicContact CD2-CD2 3.82Å; F182-F214 HydrophobicContact CD2-CE2 4.09Å; F182-F214 AromaticContact CE2-CD2 3.71Å; F182-F214 HydrophobicContact CE2-CD2 3.71Å; F182-F214 AromaticContact CE2-CE2 3.82Å; F182-F214 HydrophobicContact CE2-CE2 3.82Å; E185-F214 HydrophobicContact CB-CD2 4.22Å; E185-F214 HydrophobicContact CB-CE2 3.9Å; E185-F214 HydrophobicContact CB-CZ 4.08Å; E185-F214 HydrophobicContact CG-CD1 3.8Å; E185-F214 HydrophobicContact CG-CD2 3.91Å; E185-F214 HydrophobicContact CG-CE1 3.67Å; E185-F214 HydrophobicContact CG-CE2 3.8Å; E185-F214 HydrophobicContact CG-CG 3.91Å; E185-F214 HydrophobicContact CG-CZ 3.68Å; M186-F214 HydrophobicContact CG-CE2 3.82Å; M186-F214 HydrophobicContact CG-CZ 4.28Å; M186-F214 HydrophobicContact SD-CE2 3.51Å; M186-F214 VanDerWaalsContact SD-CE2 3.51Å; M186-F214 HydrophobicContact SD-CZ 3.7Å; A189-F214 HydrophobicContact CB-CE1 4.11Å; A189-F214 HydrophobicContact CB-CZ 4.01Å; L195-F214 HydrophobicContact CD1-CE1 4.3Å; N211-F214 VanDerWaalsContact CA-CE1 3.49Å; N211-F214 HydrophobicContact CB-CE1 3.69Å; N211-F214 HydrophobicContact CB-CZ 3.67Å; N211-F214 PolarHBondContact O-N 3.08Å; E212-F214 VanDerWaalsContact C-N 3.28Å; E212-F214 PolarHBondContact O-N 3.4Å; F214-C216 VanDerWaalsContact C-N 3.33Å; F214-C216 PolarHBondContact O-N 2.93Å; F214-P217 WeakPolarHBondContact O-CD 3.28Å; F214-E218 PolarHBondContact O-N 2.81Å
215R97.9Very high96.8Very high52 Ų5227.3 Ų27.320%0.19614%0.143CC..Hα-helixtrans-63.2-37.7170.3-71.9173.865.3-154.1-3112.8I151 F182 M186 N211 E218I151-R215 HydrophobicContact CD1-CB 4.36Å; F182-R215 HydrophobicContact CE2-CG 3.92Å; F182-R215 HydrophobicContact CZ-CG 3.99Å; M186-R215 HydrophobicContact SD-CG 3.84Å; N211-R215 WeakPolarHBondContact O-CB 3.42Å; N211-R215 VanDerWaalsContact O-CG 3.28Å; N211-R215 WeakPolarHBondContact O-CG 3.47Å; N211-R215 PolarHBondContact O-N 3.43Å; N211-R215 VanDerWaalsContact OD1-CD 3.25Å; N211-R215 WeakPolarHBondContact OD1-CD 3.29Å; N211-R215 PolarHBondContact OD1-NH1 2.92Å; R215-E218 PolarHBondContact O-N 3.4Å
216C98.1Very high96.9Very high0 Ų025 Ų250%013%0.133CC..Hα-helixtrans-57.5-60.9178.3168.60000112.2L144 L148 I151 E212 F214 E218 T219L144-C216 PolarHBondContact O-SG 2.71Å; L148-C216 HydrophobicContact CB-CB 4.32Å; L148-C216 HydrophobicContact CD1-CB 4.05Å; I151-C216 HydrophobicContact CD1-CB 4.3Å; E212-C216 VanDerWaalsContact O-CB 3.27Å; E212-C216 WeakPolarHBondContact O-CB 3.1Å; E212-C216 PolarHBondContact O-N 3.49Å; F214-C216 VanDerWaalsContact C-N 3.33Å; F214-C216 PolarHBondContact O-N 2.93Å; C216-E218 VanDerWaalsContact C-N 3.26Å; C216-E218 PolarHBondContact O-N 3.35Å; C216-T219 VanDerWaalsContact O-CB 3.3Å; C216-T219 WeakPolarHBondContact O-CB 3.3Å; C216-T219 PolarHBondContact O-N 3.48Å; C216-T219 PolarHBondContact O-OG1 2.85Å
217P98.1Very high96.8Very high0 Ų024 Ų240%014%0.141CC..Hα-helixtrans-72.1-14.5-179.229.9-37000114.2C176 Y177 V178 R213 F214 T219 L220 Y265C176-P217 HydrophobicContact CB-CG 4.37Å; Y177-P217 WeakPolarHBondContact O-CG 3.42Å; V178-P217 HydrophobicContact CG2-CB 3.84Å; V178-P217 HydrophobicContact CG2-CG 4.24Å; R213-P217 WeakPolarHBondContact O-CD 3.38Å; F214-P217 WeakPolarHBondContact O-CD 3.28Å; P217-T219 PolarHBondContact O-N 2.87Å; P217-L220 WeakPolarHBondContact O-CB 3.46Å; P217-L220 PolarHBondContact O-N 3.11Å; P217-L220 VanDerWaalsContact O-N 3.09Å; P217-Y265 HydrophobicContact CB-CD1 4.27Å; P217-Y265 HydrophobicContact CB-CD2 3.84Å; P217-Y265 HydrophobicContact CB-CE1 4.27Å; P217-Y265 HydrophobicContact CB-CE2 3.82Å; P217-Y265 HydrophobicContact CB-CG 4.07Å
218E98.3Very high96.8Very high0 Ų026.6 Ų26.60%015%0.154CC..Hα-helixtrans-58.3-27.2170.4-171.764.5-16100111.6F182 F214 R215 C216 L220 F221 Q222 F225 R271F182-E218 HydrophobicContact CB-CG 4.47Å; F182-E218 HydrophobicContact CD1-CG 4.27Å; F182-E218 HydrophobicContact CD2-CB 3.82Å; F182-E218 HydrophobicContact CD2-CG 3.5Å; F182-E218 VanDerWaalsContact CD2-CG 3.5Å; F182-E218 HydrophobicContact CE1-CG 4.42Å; F182-E218 HydrophobicContact CE2-CB 3.77Å; F182-E218 HydrophobicContact CE2-CG 3.7Å; F182-E218 HydrophobicContact CG-CG 3.81Å; F182-E218 HydrophobicContact CZ-CG 4.16Å; F214-E218 PolarHBondContact O-N 2.81Å; R215-E218 PolarHBondContact O-N 3.4Å; C216-E218 VanDerWaalsContact C-N 3.26Å; C216-E218 PolarHBondContact O-N 3.35Å; E218-L220 PolarHBondContact O-N 2.89Å; E218-L220 VanDerWaalsContact O-N 3.08Å; E218-F221 CarbonylContact O-C 3.56Å; E218-F221 WeakPolarHBondContact O-CA 3.5Å; E218-F221 PolarHBondContact O-N 3.38Å; E218-Q222 HydrophobicContact CG-CG 4.3Å; E218-Q222 PolarHBondContact O-N 3.12Å; E218-Q222 PolarHBondContact OE1-NE2 3.32Å; E218-F225 HydrophobicContact CB-CE2 4.03Å; E218-F225 HydrophobicContact CG-CE2 3.87Å; E218-F225 HydrophobicContact CG-CZ 4.24Å; E218-R271 IonicContact OE1-CZ 3.07Å; E218-R271 IonicContact OE1-NH1 3.35Å; E218-R271 IonicContact OE1-NH2 2.75Å; E218-R271 PolarHBondContact OE1-NH2 2.82Å; E218-R271 IonicContact OE2-CZ 3.63Å; E218-R271 IonicContact OE2-NH1 3.5Å; E218-R271 PolarHBondContact OE2-NH1 2.82Å; E218-R271 IonicContact OE2-NH2 2.86Å
219T97.6Very high96.7Very high0 Ų034.6 Ų34.60%019%0.188CC..THydrogen-bonded Turntrans-54.4-29.2174.9-45.20000112.8L139 L144 Y147 C216 P217 F221 Q222 P223 F225 I226L139-T219 HydrophobicContact CD1-CG2 4.29Å; L139-T219 HydrophobicContact CD2-CG2 4.24Å; L139-T219 WeakPolarHBondContact CD2-O 3.42Å; L144-T219 HydrophobicContact CD2-CG2 4.25Å; Y147-T219 WeakPolarHBondContact CD1-OG1 3.41Å; Y147-T219 WeakPolarHBondContact CE1-OG1 3.13Å; C216-T219 VanDerWaalsContact O-CB 3.3Å; C216-T219 WeakPolarHBondContact O-CB 3.3Å; C216-T219 PolarHBondContact O-N 3.48Å; C216-T219 PolarHBondContact O-OG1 2.85Å; P217-T219 PolarHBondContact O-N 2.87Å; T219-F221 VanDerWaalsContact C-N 3.26Å; T219-F221 PolarHBondContact O-N 2.83Å; T219-Q222 CarbonylContact O-C 3.37Å; T219-Q222 PolarHBondContact O-N 2.93Å; T219-P223 WeakPolarHBondContact O-CA 3.21Å; T219-P223 VanDerWaalsContact O-N 3.15Å; T219-F225 HydrophobicContact CG2-CB 4.34Å; T219-I226 HydrophobicContact CG2-CB 4.3Å; T219-I226 HydrophobicContact CG2-CD1 3.76Å; T219-I226 HydrophobicContact CG2-CG1 3.68Å; T219-I226 HydrophobicContact CG2-CG2 3.74Å
220L98.3Very high96.6Very high2 Ų236.5 Ų36.51%0.0120%0.202CC..THydrogen-bonded Turntrans-64-32.8174.3-66.3172.9000112.3L139 L144 P217 E218 G232 I233 T262 Y265 I268L139-L220 HydrophobicContact CG-CD2 4.46Å; L144-L220 HydrophobicContact CD1-CD1 4.08Å; L144-L220 HydrophobicContact CD1-CD2 4.04Å; L144-L220 HydrophobicContact CD1-CG 3.95Å; L144-L220 HydrophobicContact CD2-CD2 4.45Å; L144-L220 HydrophobicContact CD2-CG 4.33Å; P217-L220 WeakPolarHBondContact O-CB 3.46Å; P217-L220 PolarHBondContact O-N 3.11Å; P217-L220 VanDerWaalsContact O-N 3.09Å; E218-L220 PolarHBondContact O-N 2.89Å; E218-L220 VanDerWaalsContact O-N 3.08Å; L220-G232 CarbonylContact O-C 3.15Å; L220-G232 VanDerWaalsContact O-CA 3.28Å; L220-G232 WeakPolarHBondContact O-CA 3.44Å; L220-I233 HydrophobicContact CB-CD1 3.92Å; L220-I233 HydrophobicContact CB-CG1 4.15Å; L220-I233 HydrophobicContact CB-CG2 4.19Å; L220-I233 HydrophobicContact CD1-CD1 4.41Å; L220-I233 HydrophobicContact CD2-CG2 4.35Å; L220-I233 PolarHBondContact O-N 3.12Å; L220-T262 HydrophobicContact CD1-CG2 3.91Å; L220-T262 HydrophobicContact CD2-CG2 4.02Å; L220-Y265 HydrophobicContact CD1-CD2 4.25Å; L220-Y265 HydrophobicContact CD1-CE2 4.19Å; L220-I268 HydrophobicContact CD1-CD1 4.46Å
221F98.3Very high96.6Very high5 Ų537.8 Ų37.82%0.02221%0.212CC..THydrogen-bonded Turntrans-90.7-32.8177.4-60.8-91.3000111.2V178 E218 T219 P223 I233 H234 I268 R271 M272 E275V178-F221 HydrophobicContact CG1-CE2 3.64Å; V178-F221 HydrophobicContact CG1-CZ 4.07Å; V178-F221 HydrophobicContact CG2-CE2 4.18Å; E218-F221 CarbonylContact O-C 3.56Å; E218-F221 WeakPolarHBondContact O-CA 3.5Å; E218-F221 PolarHBondContact O-N 3.38Å; T219-F221 VanDerWaalsContact C-N 3.26Å; T219-F221 PolarHBondContact O-N 2.83Å; F221-P223 WeakPolarHBondContact O-CD 3.14Å; F221-I233 HydrophobicContact CD1-CG1 4.2Å; F221-I233 HydrophobicContact CE1-CD1 4.06Å; F221-I233 HydrophobicContact CE1-CG1 4.01Å; F221-I233 HydrophobicContact CE2-CD1 4.11Å; F221-I233 HydrophobicContact CZ-CD1 3.77Å; F221-I233 HydrophobicContact CZ-CG1 4.21Å; F221-H234 HydrophobicContact CD1-CB 4.26Å; F221-H234 AromaticContact CD1-CG 3.99Å; F221-H234 AromaticContact CD1-ND1 3.49Å; F221-H234 WeakPolarHBondContact CD1-ND1 3.17Å; F221-H234 HydrophobicContact CE1-CB 4.37Å; F221-H234 PolarHBondContact O-CE1 3.31Å; F221-H234 VanDerWaalsContact O-CE1 3.32Å; F221-I268 HydrophobicContact CZ-CG1 4.31Å; F221-R271 HydrophobicContact CD1-CG 4.14Å; F221-R271 HydrophobicContact CE1-CB 4.4Å; F221-R271 HydrophobicContact CE1-CG 3.53Å; F221-R271 HydrophobicContact CE2-CG 4.01Å; F221-R271 HydrophobicContact CZ-CB 4.02Å; F221-R271 HydrophobicContact CZ-CG 3.46Å; F221-R271 VanDerWaalsContact CZ-CG 3.46Å; F221-M272 HydrophobicContact CE1-CG 4.33Å; F221-M272 HydrophobicContact CE1-SD 3.86Å; F221-M272 HydrophobicContact CZ-CG 4.34Å; F221-M272 HydrophobicContact CZ-SD 4.33Å; F221-E275 HydrophobicContact CD1-CG 4.21Å; F221-E275 HydrophobicContact CE1-CG 4.24Å
222Q97.4Very high96.7Very high60 Ų6036 Ų3628%0.2820%0.203SC..  trans-125.979.8-179.5-57.2-174.726.200111.1E218 T219 S224 F225E218-Q222 HydrophobicContact CG-CG 4.3Å; E218-Q222 PolarHBondContact O-N 3.12Å; E218-Q222 PolarHBondContact OE1-NE2 3.32Å; T219-Q222 CarbonylContact O-C 3.37Å; T219-Q222 PolarHBondContact O-N 2.93Å; Q222-S224 PolarHBondContact O-N 2.88Å; Q222-F225 HydrophobicContact CB-CD1 4.24Å; Q222-F225 HydrophobicContact CB-CE1 4.22Å; Q222-F225 PolarHBondContact O-N 3.14Å; Q222-F225 VanDerWaalsContact O-N 3.15Å
223P97.2Very high96.7Very high5 Ų535.8 Ų35.83%0.03220%0.202CC..G310 helixtrans-60.3-16.7179.6-27.138.1000114.2L139 T219 F221 F225 I226 M228 S230L139-P223 HydrophobicContact CD2-CB 3.94Å; L139-P223 HydrophobicContact CD2-CG 3.88Å; T219-P223 WeakPolarHBondContact O-CA 3.21Å; T219-P223 VanDerWaalsContact O-N 3.15Å; F221-P223 WeakPolarHBondContact O-CD 3.14Å; P223-F225 PolarHBondContact O-N 3.14Å; P223-F225 VanDerWaalsContact O-N 3.13Å; P223-I226 WeakPolarHBondContact O-CG1 3.48Å; P223-I226 PolarHBondContact O-N 3.37Å; P223-I226 VanDerWaalsContact O-N 3.13Å; P223-M228 CarbonylContact C-O 3.31Å; P223-M228 HydrophobicContact CB-CB 3.8Å; P223-M228 PolarHBondContact O-N 3.41Å; P223-M228 VanDerWaalsContact O-N 3.14Å; P223-S230 WeakPolarHBondContact CB-OG 3.42Å; P223-S230 VanDerWaalsContact CG-O 3.32Å; P223-S230 WeakPolarHBondContact CG-O 3.37Å
224S96.5Very high96.7Very high80 Ų8035.1 Ų35.156%0.55920%0.2SC*.G310 helixtrans-57.7-23.6174.2590000113.6Q222 I226 G227 M228Q222-S224 PolarHBondContact O-N 2.88Å; S224-I226 PolarHBondContact O-N 3.34Å; S224-G227 PolarHBondContact O-N 2.89Å; S224-M228 PolarHBondContact N-O 3.46Å
225F92.7Very high96.8Very high57 Ų5738.9 Ų38.925%0.2522%0.218CC..G310 helixtrans-61.5-26.1177-7915000113.4Y147 F182 E218 T219 Q222 P223Y147-F225 HydrophobicContact CE1-CB 4.48Å; Y147-F225 HydrophobicContact CE1-CD2 4.34Å; Y147-F225 HydrophobicContact CE2-CB 4.41Å; Y147-F225 WeakPolarHBondContact OH-CD2 3.31Å; F182-F225 HydrophobicContact CE1-CE2 4.39Å; F182-F225 AromaticContact CE1-CZ 3.94Å; F182-F225 HydrophobicContact CE1-CZ 3.94Å; F182-F225 HydrophobicContact CE2-CE2 4.45Å; F182-F225 AromaticContact CZ-CE2 3.89Å; F182-F225 HydrophobicContact CZ-CE2 3.89Å; F182-F225 AromaticContact CZ-CZ 3.89Å; F182-F225 HydrophobicContact CZ-CZ 3.89Å; E218-F225 HydrophobicContact CB-CE2 4.03Å; E218-F225 HydrophobicContact CG-CE2 3.87Å; E218-F225 HydrophobicContact CG-CZ 4.24Å; T219-F225 HydrophobicContact CG2-CB 4.34Å; Q222-F225 HydrophobicContact CB-CD1 4.24Å; Q222-F225 HydrophobicContact CB-CE1 4.22Å; Q222-F225 PolarHBondContact O-N 3.14Å; Q222-F225 VanDerWaalsContact O-N 3.15Å; P223-F225 PolarHBondContact O-N 3.14Å; P223-F225 VanDerWaalsContact O-N 3.13Å
226I95.1Very high96.8Very high54 Ų5436.8 Ų36.828%0.27721%0.211SC..G310 helixtrans-107.913.8174.956.8171.5000112.2L139 Y147 T219 P223 S224 M228L139-I226 HydrophobicContact CD1-CD1 3.51Å; L139-I226 HydrophobicContact CD2-CD1 4.32Å; L139-I226 HydrophobicContact CG-CD1 4.43Å; Y147-I226 HydrophobicContact CD1-CG2 4.47Å; Y147-I226 HydrophobicContact CD2-CG2 3.56Å; Y147-I226 HydrophobicContact CE2-CG2 4.29Å; Y147-I226 HydrophobicContact CG-CG2 3.67Å; T219-I226 HydrophobicContact CG2-CB 4.3Å; T219-I226 HydrophobicContact CG2-CD1 3.76Å; T219-I226 HydrophobicContact CG2-CG1 3.68Å; T219-I226 HydrophobicContact CG2-CG2 3.74Å; P223-I226 WeakPolarHBondContact O-CG1 3.48Å; P223-I226 PolarHBondContact O-N 3.37Å; P223-I226 VanDerWaalsContact O-N 3.13Å; S224-I226 PolarHBondContact O-N 3.34Å; I226-M228 VanDerWaalsContact C-N 3.35Å; I226-M228 HydrophobicContact CD1-CG 3.99Å; I226-M228 HydrophobicContact CD1-SD 3.4Å; I226-M228 WeakPolarHBondContact CD1-SD 3.37Å; I226-M228 HydrophobicContact CG1-CB 4.38Å; I226-M228 HydrophobicContact CG1-CG 3.94Å; I226-M228 HydrophobicContact CG1-SD 4.02Å
227G94.4Very high96.8Very high66 Ų6636.9 Ų36.968%0.6821%0.211SC*.THydrogen-bonded Turntrans76.318179.400000114.4S224S224-G227 PolarHBondContact O-N 2.89Å
228M94.3Very high96.8Very high56 Ų5639.6 Ų39.628%0.27622%0.222SC..  trans-89.5127.5175.2-68.4179.874.100111L137 L139 P223 S224 I226 S230L137-M228 HydrophobicContact CD1-CE 4.44Å; L139-M228 HydrophobicContact CB-CE 4.25Å; L139-M228 HydrophobicContact CB-SD 4.12Å; P223-M228 CarbonylContact C-O 3.31Å; P223-M228 HydrophobicContact CB-CB 3.8Å; P223-M228 PolarHBondContact O-N 3.41Å; P223-M228 VanDerWaalsContact O-N 3.14Å; S224-M228 PolarHBondContact N-O 3.46Å; I226-M228 VanDerWaalsContact C-N 3.35Å; I226-M228 HydrophobicContact CD1-CG 3.99Å; I226-M228 HydrophobicContact CD1-SD 3.4Å; I226-M228 WeakPolarHBondContact CD1-SD 3.37Å; I226-M228 HydrophobicContact CG1-CB 4.38Å; I226-M228 HydrophobicContact CG1-CG 3.94Å; I226-M228 HydrophobicContact CG1-SD 4.02Å; M228-S230 PolarHBondContact O-N 3.27Å
229E93.8Very high96.8Very high209 Ų20942.5 Ų42.598%0.97724%0.237SC*.  trans-87.539.2173.6-61-173.616800112
230S94.2Very high96.8Very high40 Ų4042.5 Ų42.528%0.2824%0.237SC..SBendtrans-106.5151.3177.658.30000111.2L137 P223 M228L137-S230 WeakPolarHBondContact CD1-OG 3.34Å; P223-S230 WeakPolarHBondContact CB-OG 3.42Å; P223-S230 VanDerWaalsContact CG-O 3.32Å; P223-S230 WeakPolarHBondContact CG-O 3.37Å; M228-S230 PolarHBondContact O-N 3.27Å
231A97.1Very high96.8Very high30 Ų3042.4 Ų42.425%0.24824%0.237CC..  trans-63.3147.5170.500000111.7E235 T236A231-E235 HydrophobicContact CB-CB 3.88Å; A231-E235 VanDerWaalsContact CB-OE2 3.27Å; A231-E235 WeakPolarHBondContact CB-OE2 3.45Å; A231-T236 HydrophobicContact CB-CG2 3.93Å
232G97.8Very high96.8Very high2 Ų244.5 Ų44.52%0.02125%0.247CC..  trans-71.3175.8176.500000113.8L220 H234 E235 T236L220-G232 CarbonylContact O-C 3.15Å; L220-G232 VanDerWaalsContact O-CA 3.28Å; L220-G232 WeakPolarHBondContact O-CA 3.44Å; G232-H234 VanDerWaalsContact C-N 3.32Å; G232-H234 PolarHBondContact O-N 2.86Å; G232-E235 PolarHBondContact O-N 2.98Å; G232-T236 WeakPolarHBondContact O-CB 3.5Å; G232-T236 WeakPolarHBondContact O-CG2 3.32Å; G232-T236 PolarHBondContact O-N 3.33Å; G232-T236 PolarHBondContact O-OG1 2.96Å
233I98.3Very high96.8Very high3 Ų346.6 Ų46.62%0.01526%0.255CS..Hα-helixtrans-59.8-39.7-177.958.8169.9000112.9L112 T119 L137 L220 F221 T236 T237 I268 M272L112-I233 HydrophobicContact CD1-CB 4.3Å; L112-I233 HydrophobicContact CD1-CG2 4.44Å; L112-I233 HydrophobicContact CD2-CB 4.17Å; L112-I233 HydrophobicContact CD2-CD1 4.12Å; T119-I233 HydrophobicContact CG2-CG2 4.03Å; L137-I233 HydrophobicContact CD2-CG2 4.19Å; L220-I233 HydrophobicContact CB-CD1 3.92Å; L220-I233 HydrophobicContact CB-CG1 4.15Å; L220-I233 HydrophobicContact CB-CG2 4.19Å; L220-I233 HydrophobicContact CD1-CD1 4.41Å; L220-I233 HydrophobicContact CD2-CG2 4.35Å; L220-I233 PolarHBondContact O-N 3.12Å; F221-I233 HydrophobicContact CD1-CG1 4.2Å; F221-I233 HydrophobicContact CE1-CD1 4.06Å; F221-I233 HydrophobicContact CE1-CG1 4.01Å; F221-I233 HydrophobicContact CE2-CD1 4.11Å; F221-I233 HydrophobicContact CZ-CD1 3.77Å; F221-I233 HydrophobicContact CZ-CG1 4.21Å; I233-T236 VanDerWaalsContact CA-OG1 3.3Å; I233-T236 WeakPolarHBondContact CA-OG1 3.19Å; I233-T236 PolarHBondContact O-N 3.05Å; I233-T236 PolarHBondContact O-OG1 3.49Å; I233-T237 WeakPolarHBondContact O-CB 3.24Å; I233-T237 PolarHBondContact O-N 3.2Å; I233-T237 PolarHBondContact O-OG1 2.91Å; I233-I268 HydrophobicContact CD1-CD1 4.24Å; I233-M272 HydrophobicContact CD1-SD 3.87Å; I233-M272 HydrophobicContact CG1-SD 3.9Å
234H98.4Very high96.9Very high16 Ų1646.4 Ų46.47%0.07425%0.254CS..Hα-helixtrans-65.7-47.9179.261.5-65.1000112.5F221 G232 T237 Y238 M272 E275 I276F221-H234 HydrophobicContact CD1-CB 4.26Å; F221-H234 AromaticContact CD1-CG 3.99Å; F221-H234 AromaticContact CD1-ND1 3.49Å; F221-H234 WeakPolarHBondContact CD1-ND1 3.17Å; F221-H234 HydrophobicContact CE1-CB 4.37Å; F221-H234 PolarHBondContact O-CE1 3.31Å; F221-H234 VanDerWaalsContact O-CE1 3.32Å; G232-H234 VanDerWaalsContact C-N 3.32Å; G232-H234 PolarHBondContact O-N 2.86Å; H234-T237 PolarHBondContact O-N 3.22Å; H234-Y238 PolarHBondContact O-N 3.27Å; H234-M272 HydrophobicContact CB-CE 4.49Å; H234-M272 HydrophobicContact CB-SD 3.91Å; H234-E275 HydrophobicContact CB-CB 3.59Å; H234-E275 HydrophobicContact CB-CG 4.1Å; H234-E275 IonicContact CD2-OE2 2.85Å; H234-I276 HydrophobicContact CB-CD1 4.31Å; H234-I276 WeakPolarHBondContact O-CD1 3.46Å
235E98.2Very high96.9Very high80 Ų8048 Ų4837%0.37426%0.256SS..Hα-helixtrans-64.4-42.2175.1-75.6178.4-152.900112A231 G232 T237 Y238 N239 L279A231-E235 HydrophobicContact CB-CB 3.88Å; A231-E235 VanDerWaalsContact CB-OE2 3.27Å; A231-E235 WeakPolarHBondContact CB-OE2 3.45Å; G232-E235 PolarHBondContact O-N 2.98Å; E235-T237 VanDerWaalsContact C-N 3.35Å; E235-T237 PolarHBondContact O-N 2.91Å; E235-Y238 PolarHBondContact O-N 2.83Å; E235-N239 VanDerWaalsContact O-CB 3.26Å; E235-N239 WeakPolarHBondContact O-CB 3.38Å; E235-N239 PolarHBondContact O-N 2.78Å; E235-N239 PolarHBondContact O-ND2 2.73Å; E235-N239 VanDerWaalsContact O-ND2 3.15Å; E235-L279 HydrophobicContact CG-CD1 4.34Å
236T98.1Very high97Very high8 Ų851.1 Ų51.15%0.04928%0.275CS..Hα-helixtrans-66.2-35.8178.452.40000112.3N121 A231 G232 I233 S240N121-T236 WeakPolarHBondContact ND2-CB 3.46Å; N121-T236 PolarHBondContact ND2-OG1 3.48Å; A231-T236 HydrophobicContact CB-CG2 3.93Å; G232-T236 WeakPolarHBondContact O-CB 3.5Å; G232-T236 WeakPolarHBondContact O-CG2 3.32Å; G232-T236 PolarHBondContact O-N 3.33Å; G232-T236 PolarHBondContact O-OG1 2.96Å; I233-T236 VanDerWaalsContact CA-OG1 3.3Å; I233-T236 WeakPolarHBondContact CA-OG1 3.19Å; I233-T236 PolarHBondContact O-N 3.05Å; I233-T236 PolarHBondContact O-OG1 3.49Å; T236-S240 VanDerWaalsContact O-CB 3.31Å; T236-S240 WeakPolarHBondContact O-CB 3.17Å; T236-S240 PolarHBondContact O-N 3.14Å
237T98.5Very high97.1Very high1 Ų155.7 Ų55.71%0.00630%0.3CS..Hα-helixtrans-61.1-50.9169.4-57.20000110.9I110 N121 I233 H234 E235 N239 S240 I241 N256 M272 I276I110-T237 HydrophobicContact CD1-CG2 4.01Å; I110-T237 HydrophobicContact CG2-CG2 4.46Å; N121-T237 VanDerWaalsContact OD1-CA 3.32Å; N121-T237 WeakPolarHBondContact OD1-CA 3.33Å; N121-T237 WeakPolarHBondContact OD1-CB 3.31Å; N121-T237 PolarHBondContact OD1-OG1 3.05Å; I233-T237 WeakPolarHBondContact O-CB 3.24Å; I233-T237 PolarHBondContact O-N 3.2Å; I233-T237 PolarHBondContact O-OG1 2.91Å; H234-T237 PolarHBondContact O-N 3.22Å; E235-T237 VanDerWaalsContact C-N 3.35Å; E235-T237 PolarHBondContact O-N 2.91Å; T237-N239 PolarHBondContact O-N 3.29Å; T237-S240 WeakPolarHBondContact O-CB 3.36Å; T237-S240 PolarHBondContact O-N 3.38Å; T237-I241 HydrophobicContact CG2-CD1 4.34Å; T237-I241 WeakPolarHBondContact O-CG1 3.43Å; T237-I241 PolarHBondContact O-N 2.81Å; T237-I241 VanDerWaalsContact O-N 3.11Å; T237-N256 VanDerWaalsContact CG2-OD1 3.29Å; T237-N256 WeakPolarHBondContact CG2-OD1 3.32Å; T237-M272 HydrophobicContact CG2-CE 4.45Å; T237-I276 HydrophobicContact CG2-CD1 4.1Å
238Y98.4Very high97.3Very high57 Ų5753.4 Ų53.422%0.22427%0.271CS..Hα-helixtrans-58.7-47.5178.3172.3-95.3000112.3H234 E235 S240 I241 M242 Y253 L279H234-Y238 PolarHBondContact O-N 3.27Å; E235-Y238 PolarHBondContact O-N 2.83Å; Y238-S240 VanDerWaalsContact C-N 3.3Å; Y238-S240 PolarHBondContact O-N 3.1Å; Y238-I241 PolarHBondContact O-N 2.92Å; Y238-I241 VanDerWaalsContact O-N 3.15Å; Y238-M242 HydrophobicContact CD1-CG 4.06Å; Y238-M242 HydrophobicContact CD2-CE 4.4Å; Y238-M242 HydrophobicContact CD2-CG 4.44Å; Y238-M242 HydrophobicContact CE1-CG 3.57Å; Y238-M242 HydrophobicContact CE2-CE 3.71Å; Y238-M242 HydrophobicContact CE2-CG 4.03Å; Y238-M242 HydrophobicContact CE2-SD 4.44Å; Y238-M242 HydrophobicContact CG-CG 4.47Å; Y238-M242 WeakPolarHBondContact O-CG 3.17Å; Y238-M242 PolarHBondContact O-N 3.04Å; Y238-Y253 WeakPolarHBondContact CD2-OH 3.11Å; Y238-Y253 VanDerWaalsContact CE2-OH 3.22Å; Y238-Y253 WeakPolarHBondContact CE2-OH 3.41Å; Y238-L279 HydrophobicContact CD2-CB 3.68Å; Y238-L279 HydrophobicContact CE2-CB 4Å; Y238-L279 WeakPolarHBondContact CE2-O 3.27Å; Y238-L279 HydrophobicContact CG-CB 4.01Å; Y238-L279 HydrophobicContact CG-CD1 4.2Å
239N98.3Very high97.4Very high61 Ų6153.1 Ų53.133%0.32627%0.267SS..Hα-helixtrans-62.4-37.7179.7-71.9-26.6000111.8M135 E235 T237 M242 K243M135-N239 HydrophobicContact CE-CB 4.28Å; E235-N239 VanDerWaalsContact O-CB 3.26Å; E235-N239 WeakPolarHBondContact O-CB 3.38Å; E235-N239 PolarHBondContact O-N 2.78Å; E235-N239 PolarHBondContact O-ND2 2.73Å; E235-N239 VanDerWaalsContact O-ND2 3.15Å; T237-N239 PolarHBondContact O-N 3.29Å; N239-M242 PolarHBondContact O-N 3.43Å; N239-K243 WeakPolarHBondContact O-CG 3.1Å; N239-K243 PolarHBondContact O-N 2.96Å
240S98.4Very high97.6Very high0 Ų050 Ų500%025%0.251CS..Hα-helixtrans-61-46.6173.3-177.30000111.4P123 A133 T236 T237 Y238 M242 K243 C244P123-S240 WeakPolarHBondContact CD-OG 3.4Å; P123-S240 WeakPolarHBondContact CG-OG 3.33Å; A133-S240 WeakPolarHBondContact O-CB 3.18Å; A133-S240 PolarHBondContact O-OG 2.82Å; T236-S240 VanDerWaalsContact O-CB 3.31Å; T236-S240 WeakPolarHBondContact O-CB 3.17Å; T236-S240 PolarHBondContact O-N 3.14Å; T237-S240 WeakPolarHBondContact O-CB 3.36Å; T237-S240 PolarHBondContact O-N 3.38Å; Y238-S240 VanDerWaalsContact C-N 3.3Å; Y238-S240 PolarHBondContact O-N 3.1Å; S240-M242 VanDerWaalsContact C-N 3.31Å; S240-M242 PolarHBondContact O-N 3.46Å; S240-K243 PolarHBondContact O-N 2.96Å; S240-C244 PolarHBondContact O-SG 3.41Å
241I98.2Very high97.7Very high0 Ų051.3 Ų51.30%025%0.254CS..Hα-helixtrans-63.3-37.7175.6-61.3170.9000111.3I110 T237 Y238 K243 C244 R249 L252 Y253I110-I241 HydrophobicContact CD1-CD1 4.36Å; I110-I241 HydrophobicContact CD1-CG1 3.69Å; I110-I241 HydrophobicContact CG2-CD1 4.15Å; I110-I241 HydrophobicContact CG2-CG1 4.33Å; T237-I241 HydrophobicContact CG2-CD1 4.34Å; T237-I241 WeakPolarHBondContact O-CG1 3.43Å; T237-I241 PolarHBondContact O-N 2.81Å; T237-I241 VanDerWaalsContact O-N 3.11Å; Y238-I241 PolarHBondContact O-N 2.92Å; Y238-I241 VanDerWaalsContact O-N 3.15Å; I241-K243 VanDerWaalsContact C-N 3.29Å; I241-K243 PolarHBondContact O-N 3.31Å; I241-C244 WeakPolarHBondContact O-CB 3.47Å; I241-C244 PolarHBondContact O-N 3.1Å; I241-C244 VanDerWaalsContact O-N 3.17Å; I241-R249 HydrophobicContact CG2-CB 3.9Å; I241-R249 HydrophobicContact CG2-CG 3.96Å; I241-R249 PolarHBondContact O-NE 2.91Å; I241-L252 HydrophobicContact CD1-CB 4.43Å; I241-L252 HydrophobicContact CG1-CB 4.12Å; I241-L252 HydrophobicContact CG1-CD1 4.49Å; I241-L252 HydrophobicContact CG2-CB 4.25Å; I241-L252 HydrophobicContact CG2-CD1 4.34Å; I241-Y253 HydrophobicContact CD1-CD1 3.51Å; I241-Y253 HydrophobicContact CD1-CE1 3.5Å; I241-Y253 VanDerWaalsContact CD1-CE1 3.5Å; I241-Y253 HydrophobicContact CD1-CG 4.23Å; I241-Y253 HydrophobicContact CG2-CD1 4.5Å; I241-Y253 HydrophobicContact CG2-CD2 4.12Å; I241-Y253 HydrophobicContact CG2-CE1 4.15Å; I241-Y253 HydrophobicContact CG2-CE2 3.73Å; I241-Y253 HydrophobicContact CG2-CG 4.49Å
242M97.8Very high97.8Very high49 Ų4949.9 Ų49.924%0.24124%0.242CC..Hα-helixtrans-70.6-21.5178.5-73.9-62.4132.600114Y238 N239 S240 C244 R249 Y253Y238-M242 HydrophobicContact CD1-CG 4.06Å; Y238-M242 HydrophobicContact CD2-CE 4.4Å; Y238-M242 HydrophobicContact CD2-CG 4.44Å; Y238-M242 HydrophobicContact CE1-CG 3.57Å; Y238-M242 HydrophobicContact CE2-CE 3.71Å; Y238-M242 HydrophobicContact CE2-CG 4.03Å; Y238-M242 HydrophobicContact CE2-SD 4.44Å; Y238-M242 HydrophobicContact CG-CG 4.47Å; Y238-M242 WeakPolarHBondContact O-CG 3.17Å; Y238-M242 PolarHBondContact O-N 3.04Å; N239-M242 PolarHBondContact O-N 3.43Å; S240-M242 VanDerWaalsContact C-N 3.31Å; S240-M242 PolarHBondContact O-N 3.46Å; M242-C244 VanDerWaalsContact C-N 3.31Å; M242-R249 PolarHBondContact O-NH2 3.28Å; M242-R249 PolarHBondContact SD-NH1 2.83Å; M242-Y253 HydrophobicContact CE-CE2 4.1Å; M242-Y253 WeakPolarHBondContact CE-OH 3.38Å
243K98.2Very high97.8Very high104 Ų10449.8 Ų49.845%0.45224%0.241SC..Hα-helixtrans-76.7-18.5171.2-75.2179.1174.6-174.20113.2A133 M135 N239 S240 I241A133-K243 HydrophobicContact CB-CB 3.75Å; M135-K243 HydrophobicContact SD-CD 4.08Å; M135-K243 PolarHBondContact SD-NZ 3.35Å; N239-K243 WeakPolarHBondContact O-CG 3.1Å; N239-K243 PolarHBondContact O-N 2.96Å; S240-K243 PolarHBondContact O-N 2.96Å; I241-K243 VanDerWaalsContact C-N 3.29Å; I241-K243 PolarHBondContact O-N 3.31Å
244C97.9Very high97.8Very high1 Ų150.8 Ų50.81%0.00725%0.251CS..SBendtrans-80.3158.9176.9-65.60000112.3A133 S240 I241 M242 I248 R249 L252A133-C244 WeakPolarHBondContact CB-SG 3.22Å; S240-C244 PolarHBondContact O-SG 3.41Å; I241-C244 WeakPolarHBondContact O-CB 3.47Å; I241-C244 PolarHBondContact O-N 3.1Å; I241-C244 VanDerWaalsContact O-N 3.17Å; M242-C244 VanDerWaalsContact C-N 3.31Å; C244-I248 HydrophobicContact CB-CD1 3.84Å; C244-I248 HydrophobicContact CB-CG1 4Å; C244-R249 VanDerWaalsContact O-CZ 3.29Å; C244-R249 PolarHBondContact O-NE 3.03Å; C244-R249 PolarHBondContact O-NH2 2.85Å; C244-L252 HydrophobicContact CB-CD1 3.76Å; C244-L252 VanDerWaalsContact SG-CD1 3.59Å
245D96.9Very high97.7Very high113 Ų11351.6 Ų51.660%0.60426%0.255SS*.  trans-58.8144.1175.1-65.6-33.9000111.8D247 I248 R249D245-D247 PolarHBondContact O-N 2.95Å; D245-I248 HydrophobicContact CB-CG1 4.39Å; D245-I248 WeakPolarHBondContact O-CG1 3.27Å; D245-I248 PolarHBondContact O-N 3.39Å; D245-R249 WeakPolarHBondContact O-CG 3.18Å; D245-R249 PolarHBondContact O-N 3.15Å
246I95.9Very high97.7Very high124 Ų12448 Ų4864%0.63624%0.239SC*.Hα-helixtrans-56.3-38.8-173-65.8172.4000111.6I248 R249I246-I248 VanDerWaalsContact C-N 3.26Å; I246-I248 PolarHBondContact O-N 3.44Å; I246-R249 PolarHBondContact O-N 3.27Å
247D96.4Very high97.8Very high150 Ų15047.7 Ų47.780%0.80224%0.237SC*.Hα-helixtrans-65.3-27.9-174.1-63.6-25.4000113.1D245D245-D247 PolarHBondContact O-N 2.95Å
248I97.3Very high97.8Very high17 Ų1747.7 Ų47.79%0.08724%0.237CC..Hα-helixtrans-95.9-14-177.766.6166.8000113.2Y125 L130 C244 D245 I246 K250 D251 L252Y125-I248 HydrophobicContact CD2-CB 3.95Å; Y125-I248 HydrophobicContact CD2-CD1 4.41Å; Y125-I248 HydrophobicContact CD2-CG2 3.61Å; Y125-I248 HydrophobicContact CE1-CG2 4.44Å; Y125-I248 HydrophobicContact CE2-CB 4.03Å; Y125-I248 HydrophobicContact CE2-CG2 3.36Å; Y125-I248 HydrophobicContact CG-CG2 4.27Å; L130-I248 HydrophobicContact CD1-CD1 3.49Å; L130-I248 VanDerWaalsContact CD1-CD1 3.49Å; C244-I248 HydrophobicContact CB-CD1 3.84Å; C244-I248 HydrophobicContact CB-CG1 4Å; D245-I248 HydrophobicContact CB-CG1 4.39Å; D245-I248 WeakPolarHBondContact O-CG1 3.27Å; D245-I248 PolarHBondContact O-N 3.39Å; I246-I248 VanDerWaalsContact C-N 3.26Å; I246-I248 PolarHBondContact O-N 3.44Å; I248-K250 VanDerWaalsContact C-N 3.25Å; I248-K250 PolarHBondContact O-N 2.96Å; I248-D251 PolarHBondContact O-N 3.42Å; I248-L252 HydrophobicContact CD1-CD1 4.28Å; I248-L252 HydrophobicContact CG1-CD1 4.32Å; I248-L252 WeakPolarHBondContact O-CG 3.13Å; I248-L252 PolarHBondContact O-N 3.43Å; I248-L252 VanDerWaalsContact O-N 3.12Å
249R97.7Very high97.7Very high51 Ų5145 Ų4519%0.19223%0.226CC..Hα-helixtrans-59.2-36-175.3-61.9-174.1-171.7178.30.7112.9I241 M242 C244 D245 I246 D251 L252 Y253I241-R249 HydrophobicContact CG2-CB 3.9Å; I241-R249 HydrophobicContact CG2-CG 3.96Å; I241-R249 PolarHBondContact O-NE 2.91Å; M242-R249 PolarHBondContact O-NH2 3.28Å; M242-R249 PolarHBondContact SD-NH1 2.83Å; C244-R249 VanDerWaalsContact O-CZ 3.29Å; C244-R249 PolarHBondContact O-NE 3.03Å; C244-R249 PolarHBondContact O-NH2 2.85Å; D245-R249 WeakPolarHBondContact O-CG 3.18Å; D245-R249 PolarHBondContact O-N 3.15Å; I246-R249 PolarHBondContact O-N 3.27Å; R249-D251 VanDerWaalsContact C-N 3.29Å; R249-D251 PolarHBondContact O-N 3.3Å; R249-L252 PolarHBondContact O-N 3.03Å; R249-Y253 HydrophobicContact CB-CD2 4.37Å; R249-Y253 HydrophobicContact CB-CE2 4.34Å; R249-Y253 WeakPolarHBondContact O-CB 3.41Å; R249-Y253 WeakPolarHBondContact O-CD2 3.19Å; R249-Y253 PolarHBondContact O-N 3.41Å
250K97.4Very high97.7Very high143 Ų14342.5 Ų42.562%0.62222%0.215SC*.Hα-helixtrans-58.5-43.5177.7-178.7-174.7174.4-172.40111.4I248 A254 M284I248-K250 VanDerWaalsContact C-N 3.25Å; I248-K250 PolarHBondContact O-N 2.96Å; K250-A254 WeakPolarHBondContact O-CB 3.42Å; K250-A254 PolarHBondContact O-N 2.76Å; K250-A254 VanDerWaalsContact O-N 3.1Å; K250-M284 HydrophobicContact CB-SD 4.16Å; K250-M284 HydrophobicContact CG-SD 4.44Å
251D97.3Very high97.6Very high67 Ų6744.2 Ų44.236%0.35823%0.232SC..Hα-helixtrans-72.9-36.9-179.5-66.3-24.1000111.5T108 I248 R249 A254 N255T108-D251 HydrophobicContact CG2-CB 3.81Å; I248-D251 PolarHBondContact O-N 3.42Å; R249-D251 VanDerWaalsContact C-N 3.29Å; R249-D251 PolarHBondContact O-N 3.3Å; D251-A254 PolarHBondContact O-N 3.05Å; D251-N255 WeakPolarHBondContact O-CB 3.36Å; D251-N255 PolarHBondContact O-N 3.33Å; D251-N255 VanDerWaalsContact O-N 3.14Å; D251-N255 PolarHBondContact O-ND2 2.9Å
252L97.9Very high97.6Very high0 Ų044.6 Ų44.60%024%0.235CC..Hα-helixtrans-62.5-46.4173.8-60.8179.2000111.3G109 I110 P123 I241 C244 I248 R249 A254 N255 N256G109-L252 VanDerWaalsContact C-CD2 3.45Å; G109-L252 WeakPolarHBondContact O-CD2 3.36Å; I110-L252 HydrophobicContact CB-CD2 4.47Å; P123-L252 HydrophobicContact CB-CD1 4.06Å; P123-L252 HydrophobicContact CB-CD2 4.21Å; I241-L252 HydrophobicContact CD1-CB 4.43Å; I241-L252 HydrophobicContact CG1-CB 4.12Å; I241-L252 HydrophobicContact CG1-CD1 4.49Å; I241-L252 HydrophobicContact CG2-CB 4.25Å; I241-L252 HydrophobicContact CG2-CD1 4.34Å; C244-L252 HydrophobicContact CB-CD1 3.76Å; C244-L252 VanDerWaalsContact SG-CD1 3.59Å; I248-L252 HydrophobicContact CD1-CD1 4.28Å; I248-L252 HydrophobicContact CG1-CD1 4.32Å; I248-L252 WeakPolarHBondContact O-CG 3.13Å; I248-L252 PolarHBondContact O-N 3.43Å; I248-L252 VanDerWaalsContact O-N 3.12Å; R249-L252 PolarHBondContact O-N 3.03Å; L252-A254 VanDerWaalsContact C-N 3.32Å; L252-A254 PolarHBondContact O-N 3.3Å; L252-N255 CarbonylContact O-C 3.35Å; L252-N255 VanDerWaalsContact O-C 3.31Å; L252-N255 PolarHBondContact O-N 2.93Å; L252-N255 VanDerWaalsContact O-N 3.12Å; L252-N256 PolarHBondContact O-ND2 3Å; L252-N256 VanDerWaalsContact O-ND2 3.11Å
253Y98.2Very high97.7Very high0 Ų042.3 Ų42.30%022%0.223CC..Hα-helixtrans-61.9-36.7176.2-81.1-52.8000113.7Y238 I241 M242 R249 N255 N256 I276 A280 M284 K285 I286 K287Y238-Y253 WeakPolarHBondContact CD2-OH 3.11Å; Y238-Y253 VanDerWaalsContact CE2-OH 3.22Å; Y238-Y253 WeakPolarHBondContact CE2-OH 3.41Å; I241-Y253 HydrophobicContact CD1-CD1 3.51Å; I241-Y253 HydrophobicContact CD1-CE1 3.5Å; I241-Y253 VanDerWaalsContact CD1-CE1 3.5Å; I241-Y253 HydrophobicContact CD1-CG 4.23Å; I241-Y253 HydrophobicContact CG2-CD1 4.5Å; I241-Y253 HydrophobicContact CG2-CD2 4.12Å; I241-Y253 HydrophobicContact CG2-CE1 4.15Å; I241-Y253 HydrophobicContact CG2-CE2 3.73Å; I241-Y253 HydrophobicContact CG2-CG 4.49Å; M242-Y253 HydrophobicContact CE-CE2 4.1Å; M242-Y253 WeakPolarHBondContact CE-OH 3.38Å; R249-Y253 HydrophobicContact CB-CD2 4.37Å; R249-Y253 HydrophobicContact CB-CE2 4.34Å; R249-Y253 WeakPolarHBondContact O-CB 3.41Å; R249-Y253 WeakPolarHBondContact O-CD2 3.19Å; R249-Y253 PolarHBondContact O-N 3.41Å; Y253-N255 PolarHBondContact O-N 3.11Å; Y253-N256 WeakPolarHBondContact CA-ND2 3.43Å; Y253-N256 PolarHBondContact O-ND2 3.02Å; Y253-I276 HydrophobicContact CD1-CG2 4.02Å; Y253-I276 HydrophobicContact CE1-CG2 3.92Å; Y253-A280 HydrophobicContact CD1-CB 4.35Å; Y253-A280 HydrophobicContact CE1-CB 3.74Å; Y253-A280 HydrophobicContact CE2-CB 4.37Å; Y253-M284 HydrophobicContact CD2-CB 4.04Å; Y253-M284 HydrophobicContact CD2-CG 3.78Å; Y253-M284 HydrophobicContact CD2-SD 4Å; Y253-M284 HydrophobicContact CE2-CG 4.03Å; Y253-M284 HydrophobicContact CG-CB 4.42Å; Y253-K285 CarbonylContact C-O 3.58Å; Y253-I286 HydrophobicContact CD1-CD1 3.37Å; Y253-I286 HydrophobicContact CD2-CD1 4.44Å; Y253-I286 HydrophobicContact CE1-CD1 4.04Å; Y253-I286 HydrophobicContact CG-CD1 3.6Å; Y253-K287 PolarHBondContact O-N 3.36Å
254A97.6Very high97.7Very high25 Ų2540.8 Ų40.821%0.20722%0.219CC..Hα-helixtrans-77.2-9.8177.900000113.6K250 D251 L252 K287K250-A254 WeakPolarHBondContact O-CB 3.42Å; K250-A254 PolarHBondContact O-N 2.76Å; K250-A254 VanDerWaalsContact O-N 3.1Å; D251-A254 PolarHBondContact O-N 3.05Å; L252-A254 VanDerWaalsContact C-N 3.32Å; L252-A254 PolarHBondContact O-N 3.3Å; A254-K287 WeakPolarHBondContact O-CB 3.33Å
255N97.9Very high97.7Very high33 Ų3341.4 Ų41.418%0.17622%0.221CC..  trans-138.163.1-175.8-61.7-73.2000111.5R106 G109 I110 D251 L252 Y253 I289R106-N255 VanDerWaalsContact CD-OD1 3.32Å; R106-N255 WeakPolarHBondContact CD-OD1 3.2Å; R106-N255 PolarHBondContact NE-OD1 3.09Å; G109-N255 CarbonylContact C-O 3.21Å; G109-N255 VanDerWaalsContact CA-O 3.3Å; G109-N255 WeakPolarHBondContact CA-O 3.45Å; I110-N255 PolarHBondContact N-O 3.35Å; D251-N255 WeakPolarHBondContact O-CB 3.36Å; D251-N255 PolarHBondContact O-N 3.33Å; D251-N255 VanDerWaalsContact O-N 3.14Å; D251-N255 PolarHBondContact O-ND2 2.9Å; L252-N255 CarbonylContact O-C 3.35Å; L252-N255 VanDerWaalsContact O-C 3.31Å; L252-N255 PolarHBondContact O-N 2.93Å; L252-N255 VanDerWaalsContact O-N 3.12Å; Y253-N255 PolarHBondContact O-N 3.11Å; N255-I289 HydrophobicContact CB-CD1 4.49Å
256N98.1Very high97.8Very high5 Ų540 Ų403%0.02722%0.218CC..EExtended strand (participates in β ladder)trans-87.7106.8170.4-71.4-99.6000109.2I110 T237 L252 Y253 K287 I288 I289I110-N256 HydrophobicContact CG2-CB 4.19Å; I110-N256 WeakPolarHBondContact CG2-OD1 3.39Å; I110-N256 CarbonylContact O-C 3.49Å; I110-N256 WeakPolarHBondContact O-CA 3.34Å; T237-N256 VanDerWaalsContact CG2-OD1 3.29Å; T237-N256 WeakPolarHBondContact CG2-OD1 3.32Å; L252-N256 PolarHBondContact O-ND2 3Å; L252-N256 VanDerWaalsContact O-ND2 3.11Å; Y253-N256 WeakPolarHBondContact CA-ND2 3.43Å; Y253-N256 PolarHBondContact O-ND2 3.02Å; N256-K287 WeakPolarHBondContact CB-O 3.45Å; N256-K287 PolarHBondContact N-O 3.25Å; N256-K287 VanDerWaalsContact N-O 3.14Å; N256-I288 HydrophobicContact CB-CD1 3.57Å; N256-I288 CarbonylContact O-C 3.6Å; N256-I289 PolarHBondContact O-N 2.87Å
257V98.5Very high97.9Very high0 Ų035.4 Ų35.40%020%0.202CC..EExtended strand (participates in β ladder)trans-101.1127.2-177.9-179.10000110.1L101 I110 V111 L112 I289L101-V257 HydrophobicContact CD1-CB 4.43Å; L101-V257 HydrophobicContact CD1-CG2 3.74Å; I110-V257 PolarHBondContact O-N 3.42Å; V111-V257 CarbonylContact C-O 3.46Å; V111-V257 VanDerWaalsContact CA-O 3.32Å; V111-V257 WeakPolarHBondContact CA-O 3.49Å; V111-V257 HydrophobicContact CG2-CB 4.29Å; L112-V257 PolarHBondContact N-O 2.74Å; V257-I289 WeakPolarHBondContact CA-O 3.33Å; V257-I289 HydrophobicContact CG2-CB 4.23Å; V257-I289 HydrophobicContact CG2-CD1 4Å; V257-I289 HydrophobicContact CG2-CG2 4.48Å
258L98.5Very high98Very high2 Ų228.4 Ų28.41%0.0116%0.164CC..EExtended strand (participates in β ladder)trans-89.4133.4174.3-55.5-169.4000110.5L112 T263 I268 A269 I288 I289 A290 R294L112-L258 HydrophobicContact CB-CD2 3.92Å; L112-L258 HydrophobicContact CD2-CD2 3.84Å; L112-L258 HydrophobicContact CG-CD2 4.24Å; L258-T263 HydrophobicContact CB-CG2 4.38Å; L258-I268 HydrophobicContact CD1-CG2 4.02Å; L258-A269 HydrophobicContact CD1-CB 4.35Å; L258-I288 HydrophobicContact CD1-CG2 3.88Å; L258-I288 HydrophobicContact CD2-CG2 4.16Å; L258-I288 HydrophobicContact CG-CG2 3.86Å; L258-I289 PolarHBondContact N-O 3.38Å; L258-A290 HydrophobicContact CB-CB 4.39Å; L258-A290 HydrophobicContact CD1-CB 3.98Å; L258-A290 HydrophobicContact CG-CB 4.37Å; L258-R294 WeakPolarHBondContact O-CB 3.43Å
259S98.1Very high98Very high0 Ų028.8 Ų28.80%017%0.17CC..EExtended strand (participates in β ladder)trans-136.5153.1178.8172.80000110.9S100 L112 D113 S114 T263S100-S259 WeakPolarHBondContact OG-CB 3.3Å; S100-S259 PolarHBondContact OG-OG 3.31Å; L112-S259 PolarHBondContact O-N 3.41Å; D113-S259 WeakPolarHBondContact CA-O 3.48Å; D113-S259 VanDerWaalsContact OD1-C 3.25Å; D113-S259 WeakPolarHBondContact OD1-CB 3.31Å; D113-S259 PolarHBondContact OD1-OG 3.49Å; S114-S259 PolarHBondContact N-O 3.22Å; S259-T263 WeakPolarHBondContact O-CG2 3.32Å; S259-T263 PolarHBondContact O-OG1 3.2Å
260G97Very high98Very high8 Ų831.5 Ų31.58%0.08219%0.188CC..SBendtrans92.3155.1171.500000113.9D113 S114 T262 T263 R294D113-G260 PolarHBondContact OD1-N 2.84Å; S114-G260 CarbonylContact O-C 3.58Å; S114-G260 WeakPolarHBondContact O-CA 3.31Å; G260-T262 VanDerWaalsContact C-N 3.29Å; G260-T262 PolarHBondContact O-N 3.19Å; G260-T263 PolarHBondContact O-N 2.79Å; G260-T263 VanDerWaalsContact O-N 3.09Å; G260-T263 PolarHBondContact O-OG1 2.86Å; G260-R294 PolarHBondContact N-O 3.14Å
261G97.3Very high98.1Very high36 Ų3625.3 Ų25.337%0.37116%0.161SC..G310 helixtrans-60.8-32.3-170.700000114.4S114 T263 M264S114-G261 PolarHBondContact O-N 3.45Å; G261-T263 PolarHBondContact O-N 2.78Å; G261-M264 WeakPolarHBondContact O-CB 3.23Å; G261-M264 VanDerWaalsContact O-CG 3.22Å; G261-M264 WeakPolarHBondContact O-CG 3.38Å; G261-M264 PolarHBondContact O-N 2.98Å; G261-M264 VanDerWaalsContact O-N 3.11Å
262T98.3Very high98.2Very high8 Ų822.2 Ų22.25%0.04915%0.145CC..G310 helixtrans-75.8-14.5-179-620000112.1S114 G115 G141 L144 L220 G260 M264 Y265S114-T262 WeakPolarHBondContact O-CB 3.27Å; S114-T262 PolarHBondContact O-N 2.88Å; S114-T262 WeakPolarHBondContact OG-CB 3.42Å; S114-T262 WeakPolarHBondContact OG-CG2 3.29Å; G115-T262 PolarHBondContact O-OG1 3.19Å; G141-T262 WeakPolarHBondContact CA-OG1 3.46Å; G141-T262 PolarHBondContact N-OG1 3.17Å; G141-T262 VanDerWaalsContact N-OG1 3.15Å; L144-T262 HydrophobicContact CD1-CG2 3.66Å; L220-T262 HydrophobicContact CD1-CG2 3.91Å; L220-T262 HydrophobicContact CD2-CG2 4.02Å; G260-T262 VanDerWaalsContact C-N 3.29Å; G260-T262 PolarHBondContact O-N 3.19Å; T262-M264 PolarHBondContact O-N 2.85Å; T262-Y265 HydrophobicContact CG2-CE2 4.05Å; T262-Y265 WeakPolarHBondContact O-CD2 3.46Å; T262-Y265 WeakPolarHBondContact O-CE2 3.18Å
263T98.4Very high98.2Very high1 Ų125.2 Ų25.21%0.00616%0.158CC..G310 helixtrans-83.96.8169.573.70000113.4L258 S259 G260 G261 Y265 I268 R294L258-T263 HydrophobicContact CB-CG2 4.38Å; S259-T263 WeakPolarHBondContact O-CG2 3.32Å; S259-T263 PolarHBondContact O-OG1 3.2Å; G260-T263 PolarHBondContact O-N 2.79Å; G260-T263 VanDerWaalsContact O-N 3.09Å; G260-T263 PolarHBondContact O-OG1 2.86Å; G261-T263 PolarHBondContact O-N 2.78Å; T263-Y265 VanDerWaalsContact C-N 3.33Å; T263-I268 WeakPolarHBondContact O-CG2 3.4Å; T263-R294 PolarHBondContact O-NE 3.3Å; T263-R294 PolarHBondContact O-NH2 3.11Å; T263-R294 WeakPolarHBondContact OG1-CD 3.42Å
264M98.3Very high98.2Very high73 Ų7329.3 Ų29.336%0.3618%0.176SC..G310 helixtrans-80.9-9.5-179.1-66.5-63.4-67.500114G261 T262 R294 K295G261-M264 WeakPolarHBondContact O-CB 3.23Å; G261-M264 VanDerWaalsContact O-CG 3.22Å; G261-M264 WeakPolarHBondContact O-CG 3.38Å; G261-M264 PolarHBondContact O-N 2.98Å; G261-M264 VanDerWaalsContact O-N 3.11Å; T262-M264 PolarHBondContact O-N 2.85Å; M264-R294 HydrophobicContact SD-CG 3.41Å; M264-R294 WeakPolarHBondContact SD-CG 3.41Å; M264-K295 HydrophobicContact CG-CB 4.29Å; M264-K295 HydrophobicContact SD-CB 4.21Å
265Y98.3Very high98.2Very high13 Ų1330 Ų305%0.05118%0.175CC..SBendtrans-56.4130.7179.8-66.8-63.8000112L144 K172 C176 V178 P217 L220 T262 T263 G267 I268L144-Y265 HydrophobicContact CD1-CE2 3.7Å; L144-Y265 WeakPolarHBondContact CD1-OH 3.35Å; K172-Y265 WeakPolarHBondContact CD-OH 3.45Å; K172-Y265 HydrophobicContact CG-CE1 4.14Å; K172-Y265 WeakPolarHBondContact CG-OH 3.39Å; C176-Y265 HydrophobicContact CB-CD1 3.93Å; C176-Y265 HydrophobicContact CB-CE1 3.59Å; V178-Y265 HydrophobicContact CG2-CD2 4.46Å; V178-Y265 HydrophobicContact CG2-CG 4.33Å; P217-Y265 HydrophobicContact CB-CD1 4.27Å; P217-Y265 HydrophobicContact CB-CD2 3.84Å; P217-Y265 HydrophobicContact CB-CE1 4.27Å; P217-Y265 HydrophobicContact CB-CE2 3.82Å; P217-Y265 HydrophobicContact CB-CG 4.07Å; L220-Y265 HydrophobicContact CD1-CD2 4.25Å; L220-Y265 HydrophobicContact CD1-CE2 4.19Å; T262-Y265 HydrophobicContact CG2-CE2 4.05Å; T262-Y265 WeakPolarHBondContact O-CD2 3.46Å; T262-Y265 WeakPolarHBondContact O-CE2 3.18Å; T263-Y265 VanDerWaalsContact C-N 3.33Å; Y265-G267 PolarHBondContact O-N 3.49Å; Y265-I268 WeakPolarHBondContact O-CB 3.12Å; Y265-I268 WeakPolarHBondContact O-CG2 3.3Å; Y265-I268 PolarHBondContact O-N 3.14Å
266P98.5Very high98.2Very high84 Ų8428.4 Ų28.455%0.54517%0.167SC..THydrogen-bonded Turntrans-54.9139.6169.4-24.634.4000110.8V178 I268V178-P266 PolarHBondContact N-O 3.08Å; P266-I268 VanDerWaalsContact C-N 3.31Å; P266-I268 PolarHBondContact O-N 3.01Å
267G98.1Very high98.2Very high28 Ų2831.8 Ų31.829%0.28919%0.188SC..THydrogen-bonded Turntrans82.9-9.4179.300000115.9Y265 A269 D270 R271Y265-G267 PolarHBondContact O-N 3.49Å; G267-A269 VanDerWaalsContact C-N 3.32Å; G267-A269 PolarHBondContact O-N 2.88Å; G267-D270 PolarHBondContact O-N 2.74Å; G267-R271 PolarHBondContact O-N 2.75Å
268I98.5Very high98.1Very high2 Ų235.7 Ų35.71%0.0122%0.22CC..Hα-helixtrans-62.8-37.9-177.3-164.2176.5000112.9V178 L220 F221 I233 L258 T263 Y265 P266 M272V178-I268 HydrophobicContact CB-CB 4.37Å; V178-I268 HydrophobicContact CG2-CB 4.04Å; V178-I268 HydrophobicContact CG2-CG1 4.23Å; L220-I268 HydrophobicContact CD1-CD1 4.46Å; F221-I268 HydrophobicContact CZ-CG1 4.31Å; I233-I268 HydrophobicContact CD1-CD1 4.24Å; L258-I268 HydrophobicContact CD1-CG2 4.02Å; T263-I268 WeakPolarHBondContact O-CG2 3.4Å; Y265-I268 WeakPolarHBondContact O-CB 3.12Å; Y265-I268 WeakPolarHBondContact O-CG2 3.3Å; Y265-I268 PolarHBondContact O-N 3.14Å; P266-I268 VanDerWaalsContact C-N 3.31Å; P266-I268 PolarHBondContact O-N 3.01Å; I268-M272 HydrophobicContact CG1-CG 4.42Å; I268-M272 VanDerWaalsContact O-CB 3.31Å; I268-M272 WeakPolarHBondContact O-CB 3.49Å; I268-M272 VanDerWaalsContact O-CG 3.3Å; I268-M272 WeakPolarHBondContact O-CG 3.34Å; I268-M272 PolarHBondContact O-N 3.49Å
269A98.3Very high98.1Very high26 Ų2638.7 Ų38.722%0.21524%0.235CC..Hα-helixtrans-66.6-42.3179.700000111.3L258 G267 M272 Q273 I288 A290L258-A269 HydrophobicContact CD1-CB 4.35Å; G267-A269 VanDerWaalsContact C-N 3.32Å; G267-A269 PolarHBondContact O-N 2.88Å; A269-M272 PolarHBondContact O-N 2.99Å; A269-Q273 VanDerWaalsContact O-CB 3.28Å; A269-Q273 WeakPolarHBondContact O-CB 3.43Å; A269-Q273 PolarHBondContact O-N 3.07Å; A269-I288 HydrophobicContact CB-CG2 4.1Å; A269-A290 HydrophobicContact CB-CB 4.01Å
270D98.4Very high98Very high108 Ų10839.1 Ų39.158%0.57824%0.239SC*.Hα-helixtrans-68.6-41.5178.8-59-43000111.3L180 G267 Q273 K274L180-D270 HydrophobicContact CD1-CB 4.24Å; G267-D270 PolarHBondContact O-N 2.74Å; D270-Q273 WeakPolarHBondContact O-CB 3.44Å; D270-Q273 PolarHBondContact O-N 3.1Å; D270-K274 PolarHBondContact O-N 3.37Å
271R98.5Very high97.8Very high13 Ų1341.7 Ų41.75%0.04925%0.254CS..Hα-helixtrans-62.6-49174-177.562.9177.7-76-8111.3V178 A179 L180 E218 F221 G267 Q273 K274 E275V178-R271 HydrophobicContact CG1-CB 3.54Å; V178-R271 HydrophobicContact CG1-CG 3.73Å; A179-R271 WeakPolarHBondContact O-CD 3.16Å; A179-R271 PolarHBondContact O-NH1 2.94Å; L180-R271 WeakPolarHBondContact O-CD 3.29Å; E218-R271 IonicContact OE1-CZ 3.07Å; E218-R271 IonicContact OE1-NH1 3.35Å; E218-R271 IonicContact OE1-NH2 2.75Å; E218-R271 PolarHBondContact OE1-NH2 2.82Å; E218-R271 IonicContact OE2-CZ 3.63Å; E218-R271 IonicContact OE2-NH1 3.5Å; E218-R271 PolarHBondContact OE2-NH1 2.82Å; E218-R271 IonicContact OE2-NH2 2.86Å; F221-R271 HydrophobicContact CD1-CG 4.14Å; F221-R271 HydrophobicContact CE1-CB 4.4Å; F221-R271 HydrophobicContact CE1-CG 3.53Å; F221-R271 HydrophobicContact CE2-CG 4.01Å; F221-R271 HydrophobicContact CZ-CB 4.02Å; F221-R271 HydrophobicContact CZ-CG 3.46Å; F221-R271 VanDerWaalsContact CZ-CG 3.46Å; G267-R271 PolarHBondContact O-N 2.75Å; R271-Q273 VanDerWaalsContact C-N 3.28Å; R271-Q273 PolarHBondContact O-N 2.92Å; R271-K274 PolarHBondContact O-N 3.44Å; R271-E275 HydrophobicContact CG-CG 4.3Å; R271-E275 IonicContact CZ-OE1 3.07Å; R271-E275 IonicContact NE-OE1 2.8Å; R271-E275 PolarHBondContact NE-OE1 3.07Å; R271-E275 IonicContact NH2-OE1 3.73Å; R271-E275 PolarHBondContact NH2-OE1 2.95Å; R271-E275 VanDerWaalsContact O-CG 3.31Å; R271-E275 WeakPolarHBondContact O-CG 3.37Å; R271-E275 PolarHBondContact O-N 3.27Å
272M98.4Very high97.7Very high2 Ų246 Ų461%0.0128%0.279CS..Hα-helixtrans-58-40.6174.4-78.3-65.5-65.800112L112 F221 I233 H234 T237 I268 A269 K274 E275 I276 I288L112-M272 HydrophobicContact CD2-CE 3.74Å; L112-M272 HydrophobicContact CD2-SD 4.22Å; F221-M272 HydrophobicContact CE1-CG 4.33Å; F221-M272 HydrophobicContact CE1-SD 3.86Å; F221-M272 HydrophobicContact CZ-CG 4.34Å; F221-M272 HydrophobicContact CZ-SD 4.33Å; I233-M272 HydrophobicContact CD1-SD 3.87Å; I233-M272 HydrophobicContact CG1-SD 3.9Å; H234-M272 HydrophobicContact CB-CE 4.49Å; H234-M272 HydrophobicContact CB-SD 3.91Å; T237-M272 HydrophobicContact CG2-CE 4.45Å; I268-M272 HydrophobicContact CG1-CG 4.42Å; I268-M272 VanDerWaalsContact O-CB 3.31Å; I268-M272 WeakPolarHBondContact O-CB 3.49Å; I268-M272 VanDerWaalsContact O-CG 3.3Å; I268-M272 WeakPolarHBondContact O-CG 3.34Å; I268-M272 PolarHBondContact O-N 3.49Å; A269-M272 PolarHBondContact O-N 2.99Å; M272-K274 PolarHBondContact O-N 3.43Å; M272-E275 PolarHBondContact O-N 2.88Å; M272-I276 HydrophobicContact CE-CD1 4.16Å; M272-I276 HydrophobicContact CE-CG1 4.02Å; M272-I276 WeakPolarHBondContact O-CB 3.23Å; M272-I276 VanDerWaalsContact O-CG1 3.23Å; M272-I276 WeakPolarHBondContact O-CG1 3.4Å; M272-I276 PolarHBondContact O-N 3.27Å; M272-I288 HydrophobicContact CB-CD1 4.24Å; M272-I288 HydrophobicContact CB-CG1 4.08Å; M272-I288 HydrophobicContact CB-CG2 4.41Å
273Q98.4Very high97.4Very high62 Ų6251.5 Ų51.529%0.2931%0.313SS..Hα-helixtrans-61.1-45.6177.1-177.171.256.900111A269 D270 R271 T277 I286 I288A269-Q273 VanDerWaalsContact O-CB 3.28Å; A269-Q273 WeakPolarHBondContact O-CB 3.43Å; A269-Q273 PolarHBondContact O-N 3.07Å; D270-Q273 WeakPolarHBondContact O-CB 3.44Å; D270-Q273 PolarHBondContact O-N 3.1Å; R271-Q273 VanDerWaalsContact C-N 3.28Å; R271-Q273 PolarHBondContact O-N 2.92Å; Q273-T277 PolarHBondContact NE2-OG1 3.09Å; Q273-T277 VanDerWaalsContact O-CB 3.22Å; Q273-T277 WeakPolarHBondContact O-CB 3.46Å; Q273-T277 PolarHBondContact O-N 3.14Å; Q273-T277 VanDerWaalsContact O-N 3.14Å; Q273-T277 PolarHBondContact O-OG1 3.38Å; Q273-I286 PolarHBondContact NE2-O 3.45Å; Q273-I288 HydrophobicContact CB-CG1 3.85Å; Q273-I288 VanDerWaalsContact OE1-N 3.12Å
274K98.1Very high97.3Very high87 Ų8754 Ų5438%0.37833%0.325SS..Hα-helixtrans-61.4-51.7175.8179-178.4170.1-173.50111.6L180 D181 D270 R271 M272 T277 A278L180-K274 HydrophobicContact CD1-CB 4.04Å; L180-K274 HydrophobicContact CD1-CD 3.8Å; L180-K274 HydrophobicContact CG-CD 4.08Å; L180-K274 PolarHBondContact O-NZ 2.98Å; D181-K274 IonicContact OD2-NZ 3.36Å; D181-K274 PolarHBondContact OD2-NZ 3.5Å; D270-K274 PolarHBondContact O-N 3.37Å; R271-K274 PolarHBondContact O-N 3.44Å; M272-K274 PolarHBondContact O-N 3.43Å; K274-T277 PolarHBondContact O-N 3.45Å; K274-A278 PolarHBondContact O-N 2.9Å; K274-A278 VanDerWaalsContact O-N 3.09Å
275E98.3Very high97.2Very high39 Ų3958.4 Ų58.418%0.18234%0.342CS..Hα-helixtrans-63.6-49.2-175.7-65.9-66.9177.600112.2F221 H234 R271 M272 T277 A278 L279F221-E275 HydrophobicContact CD1-CG 4.21Å; F221-E275 HydrophobicContact CE1-CG 4.24Å; H234-E275 HydrophobicContact CB-CB 3.59Å; H234-E275 HydrophobicContact CB-CG 4.1Å; H234-E275 IonicContact CD2-OE2 2.85Å; R271-E275 HydrophobicContact CG-CG 4.3Å; R271-E275 IonicContact CZ-OE1 3.07Å; R271-E275 IonicContact NE-OE1 2.8Å; R271-E275 PolarHBondContact NE-OE1 3.07Å; R271-E275 IonicContact NH2-OE1 3.73Å; R271-E275 PolarHBondContact NH2-OE1 2.95Å; R271-E275 VanDerWaalsContact O-CG 3.31Å; R271-E275 WeakPolarHBondContact O-CG 3.37Å; R271-E275 PolarHBondContact O-N 3.27Å; M272-E275 PolarHBondContact O-N 2.88Å; E275-T277 VanDerWaalsContact C-N 3.3Å; E275-T277 PolarHBondContact O-N 3.11Å; E275-A278 PolarHBondContact O-N 3.41Å; E275-A278 VanDerWaalsContact O-N 3.14Å; E275-L279 WeakPolarHBondContact O-CG 3.25Å; E275-L279 PolarHBondContact O-N 3Å; E275-L279 VanDerWaalsContact O-N 3.14Å
276I97.9Very high97.2Very high0 Ų058.6 Ų58.60%034%0.344CS..Hα-helixtrans-66.4-34.7-179.9-59.6-63.1000111.1H234 T237 Y253 M272 A278 L279 A280 I286H234-I276 HydrophobicContact CB-CD1 4.31Å; H234-I276 WeakPolarHBondContact O-CD1 3.46Å; T237-I276 HydrophobicContact CG2-CD1 4.1Å; Y253-I276 HydrophobicContact CD1-CG2 4.02Å; Y253-I276 HydrophobicContact CE1-CG2 3.92Å; M272-I276 HydrophobicContact CE-CD1 4.16Å; M272-I276 HydrophobicContact CE-CG1 4.02Å; M272-I276 WeakPolarHBondContact O-CB 3.23Å; M272-I276 VanDerWaalsContact O-CG1 3.23Å; M272-I276 WeakPolarHBondContact O-CG1 3.4Å; M272-I276 PolarHBondContact O-N 3.27Å; I276-A278 VanDerWaalsContact C-N 3.29Å; I276-A278 PolarHBondContact O-N 3.44Å; I276-L279 PolarHBondContact O-N 3.32Å; I276-A280 WeakPolarHBondContact O-CB 3.11Å; I276-A280 PolarHBondContact O-N 2.98Å; I276-I286 HydrophobicContact CB-CG2 3.96Å; I276-I286 HydrophobicContact CG2-CD1 4.15Å; I276-I286 HydrophobicContact CG2-CG1 4.28Å; I276-I286 HydrophobicContact CG2-CG2 3.62Å
277T97.9Very high97.2Very high76 Ų7659.2 Ų59.247%0.46634%0.338SS..Hα-helixtrans-65.3-33.9175.2-57.50000112Q273 K274 E275Q273-T277 PolarHBondContact NE2-OG1 3.09Å; Q273-T277 VanDerWaalsContact O-CB 3.22Å; Q273-T277 WeakPolarHBondContact O-CB 3.46Å; Q273-T277 PolarHBondContact O-N 3.14Å; Q273-T277 VanDerWaalsContact O-N 3.14Å; Q273-T277 PolarHBondContact O-OG1 3.38Å; K274-T277 PolarHBondContact O-N 3.45Å; E275-T277 VanDerWaalsContact C-N 3.3Å; E275-T277 PolarHBondContact O-N 3.11Å
278A97.6Very high97.2Very high82 Ų8259 Ų5968%0.67833%0.33SS*.Hα-helixtrans-72-33.4176.600000112.8K274 E275 I276K274-A278 PolarHBondContact O-N 2.9Å; K274-A278 VanDerWaalsContact O-N 3.09Å; E275-A278 PolarHBondContact O-N 3.41Å; E275-A278 VanDerWaalsContact O-N 3.14Å; I276-A278 VanDerWaalsContact C-N 3.29Å; I276-A278 PolarHBondContact O-N 3.44Å
279L97.1Very high97.2Very high64 Ų6459.9 Ų59.934%0.33534%0.335SS..Hα-helixtrans-83.9-33.9179.9-66174.5000113.5E235 Y238 E275 I276E235-L279 HydrophobicContact CG-CD1 4.34Å; Y238-L279 HydrophobicContact CD2-CB 3.68Å; Y238-L279 HydrophobicContact CE2-CB 4Å; Y238-L279 WeakPolarHBondContact CE2-O 3.27Å; Y238-L279 HydrophobicContact CG-CB 4.01Å; Y238-L279 HydrophobicContact CG-CD1 4.2Å; E275-L279 WeakPolarHBondContact O-CG 3.25Å; E275-L279 PolarHBondContact O-N 3Å; E275-L279 VanDerWaalsContact O-N 3.14Å; I276-L279 PolarHBondContact O-N 3.32Å
280A95.8Very high97.1Very high10 Ų1060.3 Ų60.38%0.08334%0.338CS..SBendtrans-77.6154.2-175.100000112.8Y253 I276 S282 I286Y253-A280 HydrophobicContact CD1-CB 4.35Å; Y253-A280 HydrophobicContact CE1-CB 3.74Å; Y253-A280 HydrophobicContact CE2-CB 4.37Å; I276-A280 WeakPolarHBondContact O-CB 3.11Å; I276-A280 PolarHBondContact O-N 2.98Å; A280-S282 PolarHBondContact O-N 3.26Å; A280-I286 HydrophobicContact CB-CD1 3.65Å; A280-I286 HydrophobicContact CB-CG1 4.25Å
281P94.6Very high97Very high61 Ų6156.6 Ų56.640%0.39632%0.32SS..  trans-56.6138.3170.5-22.833.1000111.5T283 M284P281-T283 PolarHBondContact O-N 3.17Å; P281-M284 HydrophobicContact CB-CG 4.26Å; P281-M284 HydrophobicContact CG-CG 4.38Å; P281-M284 WeakPolarHBondContact O-CB 3.1Å; P281-M284 PolarHBondContact O-N 2.9Å
282S93.2Very high96.9Very high128 Ų12860.8 Ų60.890%0.89535%0.349SS*.THydrogen-bonded Turntrans-61-15.6-175.357.20000115.1A280 M284A280-S282 PolarHBondContact O-N 3.26Å; S282-M284 VanDerWaalsContact C-N 3.35Å
283T94.1Very high96.7Very high123 Ų12366.1 Ų66.176%0.75537%0.373SS*.THydrogen-bonded Turntrans-80.6-14174.954.60000113.5P281P281-T283 PolarHBondContact O-N 3.17Å
284M95.1Very high96.6Very high53 Ų5364.5 Ų64.526%0.26137%0.365SS..SBendtrans-83.6136.2-178.9-65.8-64.5179.600111.1K250 Y253 P281 S282 I286K250-M284 HydrophobicContact CB-SD 4.16Å; K250-M284 HydrophobicContact CG-SD 4.44Å; Y253-M284 HydrophobicContact CD2-CB 4.04Å; Y253-M284 HydrophobicContact CD2-CG 3.78Å; Y253-M284 HydrophobicContact CD2-SD 4Å; Y253-M284 HydrophobicContact CE2-CG 4.03Å; Y253-M284 HydrophobicContact CG-CB 4.42Å; P281-M284 HydrophobicContact CB-CG 4.26Å; P281-M284 HydrophobicContact CG-CG 4.38Å; P281-M284 WeakPolarHBondContact O-CB 3.1Å; P281-M284 PolarHBondContact O-N 2.9Å; S282-M284 VanDerWaalsContact C-N 3.35Å; M284-I286 HydrophobicContact CB-CD1 3.97Å
285K96.3Very high96.5Very high166 Ų16665.3 Ų65.372%0.72237%0.368SS*.  trans-89.4109.3171.3-176.3178.5-180177.40109.3Y253Y253-K285 CarbonylContact C-O 3.58Å
286I97.9Very high96.5Very high17 Ų1769.3 Ų69.39%0.08738%0.383CS..  trans-87.4132.7178.5-49.1-47.5000109.5Y253 Q273 I276 A280 M284 I288Y253-I286 HydrophobicContact CD1-CD1 3.37Å; Y253-I286 HydrophobicContact CD2-CD1 4.44Å; Y253-I286 HydrophobicContact CE1-CD1 4.04Å; Y253-I286 HydrophobicContact CG-CD1 3.6Å; Q273-I286 PolarHBondContact NE2-O 3.45Å; I276-I286 HydrophobicContact CB-CG2 3.96Å; I276-I286 HydrophobicContact CG2-CD1 4.15Å; I276-I286 HydrophobicContact CG2-CG1 4.28Å; I276-I286 HydrophobicContact CG2-CG2 3.62Å; A280-I286 HydrophobicContact CB-CD1 3.65Å; A280-I286 HydrophobicContact CB-CG1 4.25Å; M284-I286 HydrophobicContact CB-CD1 3.97Å; I286-I288 HydrophobicContact CG2-CD1 4.31Å
287K98.2Very high96.4Very high97 Ų9769.6 Ų69.642%0.42238%0.384SS..  trans-140.5116.6173.6-179.5-176.2-179.9-177.90110.6Y253 A254 N256 I289Y253-K287 PolarHBondContact O-N 3.36Å; A254-K287 WeakPolarHBondContact O-CB 3.33Å; N256-K287 WeakPolarHBondContact CB-O 3.45Å; N256-K287 PolarHBondContact N-O 3.25Å; N256-K287 VanDerWaalsContact N-O 3.14Å; K287-I289 HydrophobicContact CD-CG1 4.31Å; K287-I289 HydrophobicContact CG-CG1 4.17Å
288I98.4Very high96.4Very high22 Ų2267.2 Ų67.211%0.11337%0.37CS..EExtended strand (participates in β ladder)trans-90.3132.3169.9-49-52.4000109.8N256 L258 A269 M272 Q273 I286N256-I288 HydrophobicContact CB-CD1 3.57Å; N256-I288 CarbonylContact O-C 3.6Å; L258-I288 HydrophobicContact CD1-CG2 3.88Å; L258-I288 HydrophobicContact CD2-CG2 4.16Å; L258-I288 HydrophobicContact CG-CG2 3.86Å; A269-I288 HydrophobicContact CB-CG2 4.1Å; M272-I288 HydrophobicContact CB-CD1 4.24Å; M272-I288 HydrophobicContact CB-CG1 4.08Å; M272-I288 HydrophobicContact CB-CG2 4.41Å; Q273-I288 HydrophobicContact CB-CG1 3.85Å; Q273-I288 VanDerWaalsContact OE1-N 3.12Å; I286-I288 HydrophobicContact CG2-CD1 4.31Å
289I98.2Very high96.4Very high22 Ų2272.4 Ų72.411%0.11337%0.372CS..EExtended strand (participates in β ladder)trans-119.9111.8-177.8-59.2156000107N255 N256 V257 L258 K287 P291N255-I289 HydrophobicContact CB-CD1 4.49Å; N256-I289 PolarHBondContact O-N 2.87Å; V257-I289 WeakPolarHBondContact CA-O 3.33Å; V257-I289 HydrophobicContact CG2-CB 4.23Å; V257-I289 HydrophobicContact CG2-CD1 4Å; V257-I289 HydrophobicContact CG2-CG2 4.48Å; L258-I289 PolarHBondContact N-O 3.38Å; K287-I289 HydrophobicContact CD-CG1 4.31Å; K287-I289 HydrophobicContact CG-CG1 4.17Å; I289-P291 HydrophobicContact CG2-CG 4.4Å; I289-P291 WeakPolarHBondContact O-CD 3.25Å
290A97.6Very high96.4Very high35 Ų3572 Ų7229%0.28937%0.37SS..  trans-119.387.3179.200000109.6L258 A269L258-A290 HydrophobicContact CB-CB 4.39Å; L258-A290 HydrophobicContact CD1-CB 3.98Å; L258-A290 HydrophobicContact CG-CB 4.37Å; A269-A290 HydrophobicContact CB-CB 4.01Å
291P96.4Very high96.5Very high29 Ų2971.5 Ų71.519%0.18837%0.366CS..  trans-56.3143.9175.6-22.834000110.8I289 E293 R294I289-P291 HydrophobicContact CG2-CG 4.4Å; I289-P291 WeakPolarHBondContact O-CD 3.25Å; P291-E293 VanDerWaalsContact C-N 3.29Å; P291-E293 PolarHBondContact O-N 3.3Å; P291-R294 HydrophobicContact CB-CB 4.29Å; P291-R294 WeakPolarHBondContact O-CB 3.41Å; P291-R294 VanDerWaalsContact O-CD 3.27Å; P291-R294 WeakPolarHBondContact O-CD 3.1Å; P291-R294 WeakPolarHBondContact O-CG 3.27Å; P291-R294 PolarHBondContact O-N 3.21Å; P291-R294 PolarHBondContact O-NH1 3.04Å
292P95.9Very high96.5Very high102 Ų10268.9 Ų68.966%0.66235%0.35SS*.THydrogen-bonded Turntrans-62.2-39.117923.2-31.9000111.8R294P292-R294 PolarHBondContact O-N 3.24Å
293E94.6Very high96.7Very high113 Ų11365.4 Ų65.453%0.52833%0.325SS..THydrogen-bonded Turntrans-83.518.7179.2-56.7-57.4152.100113.6P291 K295 Y296 S297 I300P291-E293 VanDerWaalsContact C-N 3.29Å; P291-E293 PolarHBondContact O-N 3.3Å; E293-K295 PolarHBondContact O-N 3.3Å; E293-Y296 PolarHBondContact O-N 2.97Å; E293-S297 PolarHBondContact O-N 2.8Å; E293-I300 HydrophobicContact CB-CD1 3.92Å
294R96.8Very high96.7Very high28 Ų2863.3 Ų63.311%0.10631%0.309CS..G310 helixtrans-63.4-16.5-171.465.7-171.2173.2-77.81.1115.6L258 G260 T263 M264 P291 P292 Y296 S297L258-R294 WeakPolarHBondContact O-CB 3.43Å; G260-R294 PolarHBondContact N-O 3.14Å; T263-R294 PolarHBondContact O-NE 3.3Å; T263-R294 PolarHBondContact O-NH2 3.11Å; T263-R294 WeakPolarHBondContact OG1-CD 3.42Å; M264-R294 HydrophobicContact SD-CG 3.41Å; M264-R294 WeakPolarHBondContact SD-CG 3.41Å; P291-R294 HydrophobicContact CB-CB 4.29Å; P291-R294 WeakPolarHBondContact O-CB 3.41Å; P291-R294 VanDerWaalsContact O-CD 3.27Å; P291-R294 WeakPolarHBondContact O-CD 3.1Å; P291-R294 WeakPolarHBondContact O-CG 3.27Å; P291-R294 PolarHBondContact O-N 3.21Å; P291-R294 PolarHBondContact O-NH1 3.04Å; P292-R294 PolarHBondContact O-N 3.24Å; R294-Y296 PolarHBondContact O-N 2.85Å; R294-S297 WeakPolarHBondContact CA-OG 3.28Å; R294-S297 PolarHBondContact O-N 2.84Å
295K95.7Very high96.6Very high105 Ų10562.1 Ų62.146%0.45730%0.303SS..G310 helixtrans-59.1-29.3167.8-178175.4175.7177.90112.2M264 E293M264-K295 HydrophobicContact CG-CB 4.29Å; M264-K295 HydrophobicContact SD-CB 4.21Å; E293-K295 PolarHBondContact O-N 3.3Å
296Y96.8Very high96.5Very high123 Ų12356.1 Ų56.148%0.48229%0.285SS..G310 helixtrans-116.39.9-178-52.4-58.1000113.2E293 R294 V298 W299 I300E293-Y296 PolarHBondContact O-N 2.97Å; R294-Y296 PolarHBondContact O-N 2.85Å; Y296-V298 VanDerWaalsContact C-N 3.27Å; Y296-V298 PolarHBondContact O-N 3.34Å; Y296-W299 PolarHBondContact O-N 2.83Å; Y296-I300 WeakPolarHBondContact O-CG1 3.28Å; Y296-I300 PolarHBondContact O-N 3.31Å
297S97.1Very high96.2Very high5 Ų559.8 Ų59.84%0.03531%0.312CS..Hα-helixtrans-53.2-42-176.8-87.20000113.5A103 E293 R294 W299 I300 G301A103-S297 VanDerWaalsContact CB-O 3.3Å; A103-S297 WeakPolarHBondContact CB-O 3.47Å; E293-S297 PolarHBondContact O-N 2.8Å; R294-S297 WeakPolarHBondContact CA-OG 3.28Å; R294-S297 PolarHBondContact O-N 2.84Å; S297-W299 VanDerWaalsContact C-N 3.33Å; S297-W299 PolarHBondContact O-N 3.4Å; S297-I300 PolarHBondContact O-N 3.21Å; S297-G301 PolarHBondContact O-N 3.23Å
298V97.2Very high95.8Very high27 Ų2759 Ų5916%0.16431%0.312CS..Hα-helixtrans-57.4-48.7176177.10000110.7T65 Q96 L99 S100 Y296 G301 G302T65-V298 HydrophobicContact CG2-CG1 3.97Å; Q96-V298 HydrophobicContact CB-CG1 3.98Å; Q96-V298 HydrophobicContact CB-CG2 3.97Å; Q96-V298 HydrophobicContact CG-CG1 3.92Å; L99-V298 HydrophobicContact CB-CG1 4.41Å; L99-V298 WeakPolarHBondContact CB-O 3.19Å; L99-V298 HydrophobicContact CD1-CG1 4.1Å; S100-V298 WeakPolarHBondContact OG-CG2 3.41Å; S100-V298 PolarHBondContact OG-N 3.41Å; Y296-V298 VanDerWaalsContact C-N 3.27Å; Y296-V298 PolarHBondContact O-N 3.34Å; V298-G301 PolarHBondContact O-N 2.98Å; V298-G302 PolarHBondContact O-N 3.21Å
299W97.7Very high95.3Very high191 Ų19162.5 Ų62.572%0.72334%0.338SS*.Hα-helixtrans-68.8-42.7-177.1-171.788.5000111.8Y296 S297 G301 G302 S303Y296-W299 PolarHBondContact O-N 2.83Å; S297-W299 VanDerWaalsContact C-N 3.33Å; S297-W299 PolarHBondContact O-N 3.4Å; W299-G301 VanDerWaalsContact C-N 3.32Å; W299-G301 PolarHBondContact O-N 2.9Å; W299-G302 PolarHBondContact O-N 2.96Å; W299-S303 PolarHBondContact O-N 2.86Å
300I97.6Very high94.8Very high55 Ų5565.9 Ų65.928%0.28236%0.36SS..Hα-helixtrans-59.4-45174.8-66.1167.4000110.1A103 E293 Y296 S297 G302 S303 I304A103-I300 HydrophobicContact CB-CB 4.3Å; A103-I300 HydrophobicContact CB-CG2 4.1Å; E293-I300 HydrophobicContact CB-CD1 3.92Å; Y296-I300 WeakPolarHBondContact O-CG1 3.28Å; Y296-I300 PolarHBondContact O-N 3.31Å; S297-I300 PolarHBondContact O-N 3.21Å; I300-G302 PolarHBondContact O-N 3.28Å; I300-S303 PolarHBondContact O-N 3.39Å; I300-I304 HydrophobicContact CG2-CD1 3.88Å; I300-I304 WeakPolarHBondContact O-CG1 3.44Å; I300-I304 PolarHBondContact O-N 3.48Å
301G96.4Very high94.3Very high0 Ų064.7 Ų64.70%035%0.348CS..Hα-helixtrans-61.3-42.8176.700000112.7L99 S297 V298 W299 I304 L305L99-G301 WeakPolarHBondContact O-CA 3.44Å; S297-G301 PolarHBondContact O-N 3.23Å; V298-G301 PolarHBondContact O-N 2.98Å; W299-G301 VanDerWaalsContact C-N 3.32Å; W299-G301 PolarHBondContact O-N 2.9Å; G301-I304 PolarHBondContact O-N 3.31Å; G301-L305 VanDerWaalsContact O-CB 3.31Å; G301-L305 WeakPolarHBondContact O-CB 3.22Å; G301-L305 PolarHBondContact O-N 2.92Å
302G96.3Very high93.8Very high6 Ų669.2 Ų69.26%0.06237%0.367CS..Hα-helixtrans-61.4-43.7173.600000112.7V298 W299 I300 L305 A306V298-G302 PolarHBondContact O-N 3.21Å; W299-G302 PolarHBondContact O-N 2.96Å; I300-G302 PolarHBondContact O-N 3.28Å; G302-L305 PolarHBondContact O-N 3.33Å; G302-A306 WeakPolarHBondContact O-CB 3.27Å; G302-A306 PolarHBondContact O-N 2.96Å
303S96.9Very high93.4Very high55 Ų5572 Ų7239%0.38537%0.371SS..Hα-helixtrans-63-43176.9174.10000112.3W299 I300 S307W299-S303 PolarHBondContact O-N 2.86Å; I300-S303 PolarHBondContact O-N 3.39Å; S303-S307 WeakPolarHBondContact O-CB 3.18Å; S303-S307 PolarHBondContact O-N 3.17Å; S303-S307 PolarHBondContact O-OG 2.61Å
304I94.1Very high93.2Very high79 Ų7970.4 Ų70.441%0.40536%0.364SS..Hα-helixtrans-62-51.2175.2-67.7165.4000109.7I300 G301 A306 S307 L308I300-I304 HydrophobicContact CG2-CD1 3.88Å; I300-I304 WeakPolarHBondContact O-CG1 3.44Å; I300-I304 PolarHBondContact O-N 3.48Å; G301-I304 PolarHBondContact O-N 3.31Å; I304-A306 PolarHBondContact O-N 3.39Å; I304-S307 PolarHBondContact O-N 3.35Å; I304-S307 VanDerWaalsContact O-N 3.13Å; I304-L308 PolarHBondContact O-N 3.48Å
305L92.6Very high93.1Very high28 Ų2871.9 Ų71.915%0.14737%0.37CS..Hα-helixtrans-59.7-46.9-178.3-176.364.9000111.8L63 L99 G301 G302 S307 L308 F311L63-L305 HydrophobicContact CD1-CD2 4.26Å; L99-L305 HydrophobicContact CD2-CB 4.39Å; L99-L305 HydrophobicContact CD2-CD2 3.64Å; G301-L305 VanDerWaalsContact O-CB 3.31Å; G301-L305 WeakPolarHBondContact O-CB 3.22Å; G301-L305 PolarHBondContact O-N 2.92Å; G302-L305 PolarHBondContact O-N 3.33Å; L305-S307 PolarHBondContact O-N 2.96Å; L305-L308 HydrophobicContact CD1-CD1 4.33Å; L305-L308 PolarHBondContact O-N 3.12Å; L305-L308 VanDerWaalsContact O-N 3.16Å; L305-F311 HydrophobicContact CD1-CD2 3.68Å; L305-F311 HydrophobicContact CD1-CE2 4.02Å; L305-F311 HydrophobicContact CD1-CG 4.13Å; L305-F311 HydrophobicContact CD2-CD2 4.14Å; L305-F311 HydrophobicContact CD2-CE2 3.6Å; L305-F311 HydrophobicContact CD2-CZ 3.8Å; L305-F311 HydrophobicContact CG-CD1 4.2Å; L305-F311 HydrophobicContact CG-CD2 3.67Å; L305-F311 HydrophobicContact CG-CE1 4.16Å; L305-F311 HydrophobicContact CG-CE2 3.62Å; L305-F311 HydrophobicContact CG-CG 3.96Å; L305-F311 HydrophobicContact CG-CZ 3.87Å; L305-F311 VanDerWaalsContact O-CB 3.25Å; L305-F311 WeakPolarHBondContact O-CB 3.47Å; L305-F311 VanDerWaalsContact O-CD1 3.28Å; L305-F311 WeakPolarHBondContact O-CD1 3.29Å; L305-F311 WeakPolarHBondContact O-CG 3.29Å
306A93.8Very high93.2Very high40 Ų4066.9 Ų66.933%0.33135%0.348SS..Hα-helixtrans-62-24.9178.500000113.4L63 G302 I304L63-A306 HydrophobicContact CD1-CB 4.22Å; G302-A306 WeakPolarHBondContact O-CB 3.27Å; G302-A306 PolarHBondContact O-N 2.96Å; I304-A306 PolarHBondContact O-N 3.39Å
307S92.4Very high93.2Very high94 Ų9462.8 Ų62.866%0.65734%0.338SS*.THydrogen-bonded Turntrans-86.3-8.3-179.7-56.40000113.6S303 I304 L305S303-S307 WeakPolarHBondContact O-CB 3.18Å; S303-S307 PolarHBondContact O-N 3.17Å; S303-S307 PolarHBondContact O-OG 2.61Å; I304-S307 PolarHBondContact O-N 3.35Å; I304-S307 VanDerWaalsContact O-N 3.13Å; L305-S307 PolarHBondContact O-N 2.96Å
308L90.1Very high93.2Very high81 Ų8165.3 Ų65.342%0.42435%0.348SS..  trans-77.9129.7178.7-60.8179000110.7I304 L305 T310 F311I304-L308 PolarHBondContact O-N 3.48Å; L305-L308 HydrophobicContact CD1-CD1 4.33Å; L305-L308 PolarHBondContact O-N 3.12Å; L305-L308 VanDerWaalsContact O-N 3.16Å; L308-T310 PolarHBondContact O-N 3.14Å; L308-F311 HydrophobicContact CB-CB 4.07Å; L308-F311 WeakPolarHBondContact O-CB 3.47Å; L308-F311 PolarHBondContact O-N 3.3Å
309S87.1Confident93.2Very high94 Ų9470.2 Ų70.266%0.65737%0.369SS*.G310 helixtrans-60.6-35177.453.80000112.8F311 Q312S309-F311 PolarHBondContact O-N 2.94Å; S309-Q312 PolarHBondContact O-N 3.5Å
310T88.3Confident93.2Very high94 Ų9463.9 Ų63.958%0.57735%0.348SS*.G310 helixtrans-66.3-24.7176.150.40000112.9L308 Q312 Q313L308-T310 PolarHBondContact O-N 3.14Å; T310-Q312 VanDerWaalsContact C-N 3.3Å; T310-Q312 PolarHBondContact O-N 3.07Å; T310-Q313 PolarHBondContact O-N 2.53Å
311F87.3Confident93.2Very high10 Ų1061.6 Ų61.64%0.04434%0.335CS..G310 helixtrans-74-21.3-177.6-176.1-115.4000112.9L63 Y92 L305 L308 S309 Q313 M314 W315L63-F311 HydrophobicContact CD1-CE1 3.85Å; L63-F311 HydrophobicContact CD1-CZ 3.89Å; Y92-F311 AromaticContact CD1-CE2 3.87Å; Y92-F311 HydrophobicContact CD1-CE2 3.87Å; Y92-F311 AromaticContact CD1-CZ 3.48Å; Y92-F311 HydrophobicContact CD1-CZ 3.48Å; Y92-F311 VanDerWaalsContact CD1-CZ 3.48Å; Y92-F311 HydrophobicContact CD2-CE2 4.19Å; Y92-F311 HydrophobicContact CD2-CZ 4.14Å; Y92-F311 AromaticContact CE1-CE2 3.96Å; Y92-F311 HydrophobicContact CE1-CE2 3.96Å; Y92-F311 HydrophobicContact CE1-CZ 4.05Å; Y92-F311 HydrophobicContact CE2-CE2 4.28Å; Y92-F311 AromaticContact CG-CE2 3.98Å; Y92-F311 HydrophobicContact CG-CE2 3.98Å; Y92-F311 AromaticContact CG-CZ 3.52Å; Y92-F311 HydrophobicContact CG-CZ 3.52Å; L305-F311 HydrophobicContact CD1-CD2 3.68Å; L305-F311 HydrophobicContact CD1-CE2 4.02Å; L305-F311 HydrophobicContact CD1-CG 4.13Å; L305-F311 HydrophobicContact CD2-CD2 4.14Å; L305-F311 HydrophobicContact CD2-CE2 3.6Å; L305-F311 HydrophobicContact CD2-CZ 3.8Å; L305-F311 HydrophobicContact CG-CD1 4.2Å; L305-F311 HydrophobicContact CG-CD2 3.67Å; L305-F311 HydrophobicContact CG-CE1 4.16Å; L305-F311 HydrophobicContact CG-CE2 3.62Å; L305-F311 HydrophobicContact CG-CG 3.96Å; L305-F311 HydrophobicContact CG-CZ 3.87Å; L305-F311 VanDerWaalsContact O-CB 3.25Å; L305-F311 WeakPolarHBondContact O-CB 3.47Å; L305-F311 VanDerWaalsContact O-CD1 3.28Å; L305-F311 WeakPolarHBondContact O-CD1 3.29Å; L305-F311 WeakPolarHBondContact O-CG 3.29Å; L308-F311 HydrophobicContact CB-CB 4.07Å; L308-F311 WeakPolarHBondContact O-CB 3.47Å; L308-F311 PolarHBondContact O-N 3.3Å; S309-F311 PolarHBondContact O-N 2.94Å; F311-Q313 PolarHBondContact O-N 2.71Å; F311-Q313 VanDerWaalsContact O-N 3.15Å; F311-M314 HydrophobicContact CD2-CB 3.93Å; F311-M314 HydrophobicContact CD2-CG 4.16Å; F311-M314 HydrophobicContact CE2-CB 4.04Å; F311-M314 WeakPolarHBondContact O-CB 3.37Å; F311-M314 PolarHBondContact O-N 3.1Å; F311-W315 AromaticContact CD1-CD1 3.84Å; F311-W315 AromaticContact CD1-NE1 3.06Å; F311-W315 AromaticContact CE1-CD1 3.68Å; F311-W315 AromaticContact CE1-NE1 3.12Å; F311-W315 AromaticContact CG-NE1 3.93Å; F311-W315 PolarHBondContact O-NE1 2.82Å
312Q85.5Confident93.2Very high123 Ų12366.6 Ų66.658%0.57536%0.362SS*.G310 helixtrans-58.4-29.4176-65.7-178.3-3.300112.9S309 T310 M314 W315S309-Q312 PolarHBondContact O-N 3.5Å; T310-Q312 VanDerWaalsContact C-N 3.3Å; T310-Q312 PolarHBondContact O-N 3.07Å; Q312-M314 VanDerWaalsContact C-N 3.25Å; Q312-M314 PolarHBondContact O-N 2.95Å; Q312-W315 HydrophobicContact CG-CH2 3.97Å; Q312-W315 HydrophobicContact CG-CZ2 3.99Å; Q312-W315 HydrophobicContact CG-CZ3 4.31Å; Q312-W315 PolarHBondContact O-N 2.8Å
313Q87.6Confident93.2Very high161 Ų16173.1 Ų73.175%0.75239%0.391SS*.G310 helixtrans-71.9-21.2177.6-61.9179.3-3.900112.8T310 F311T310-Q313 PolarHBondContact O-N 2.53Å; F311-Q313 PolarHBondContact O-N 2.71Å; F311-Q313 VanDerWaalsContact O-N 3.15Å
314M90.1Very high93.2Very high79 Ų7972.1 Ų72.139%0.38939%0.386SS..G310 helixtrans-85.1-15.4-179.5-62.4-65.2-67.500112.6Y92 F311 Q312Y92-M314 HydrophobicContact CD2-CB 4.29Å; Y92-M314 WeakPolarHBondContact CD2-O 3.3Å; Y92-M314 HydrophobicContact CE2-CB 4.05Å; Y92-M314 HydrophobicContact CE2-CE 4.39Å; F311-M314 HydrophobicContact CD2-CB 3.93Å; F311-M314 HydrophobicContact CD2-CG 4.16Å; F311-M314 HydrophobicContact CE2-CB 4.04Å; F311-M314 WeakPolarHBondContact O-CB 3.37Å; F311-M314 PolarHBondContact O-N 3.1Å; Q312-M314 VanDerWaalsContact C-N 3.25Å; Q312-M314 PolarHBondContact O-N 2.95Å
315W94.4Very high93.3Very high59 Ų5969.4 Ų69.422%0.22338%0.377CS..SBendtrans-64.1147.7-178.3-61.7-3.8000111.1P61 A90 F311 Q312 K332P61-W315 HydrophobicContact CB-CD2 4.39Å; P61-W315 HydrophobicContact CB-CE3 3.82Å; P61-W315 HydrophobicContact CB-CH2 3.69Å; P61-W315 HydrophobicContact CB-CZ2 4.27Å; P61-W315 HydrophobicContact CB-CZ3 3.45Å; P61-W315 VanDerWaalsContact CB-CZ3 3.45Å; P61-W315 HydrophobicContact CG-CE3 4.06Å; P61-W315 HydrophobicContact CG-CH2 3.74Å; P61-W315 HydrophobicContact CG-CZ3 3.33Å; A90-W315 HydrophobicContact CB-CB 4.17Å; A90-W315 HydrophobicContact CB-CE3 3.93Å; F311-W315 AromaticContact CD1-CD1 3.84Å; F311-W315 AromaticContact CD1-NE1 3.06Å; F311-W315 AromaticContact CE1-CD1 3.68Å; F311-W315 AromaticContact CE1-NE1 3.12Å; F311-W315 AromaticContact CG-NE1 3.93Å; F311-W315 PolarHBondContact O-NE1 2.82Å; Q312-W315 HydrophobicContact CG-CH2 3.97Å; Q312-W315 HydrophobicContact CG-CZ2 3.99Å; Q312-W315 HydrophobicContact CG-CZ3 4.31Å; Q312-W315 PolarHBondContact O-N 2.8Å; W315-K332 PolarHBondContact O-NZ 3.48Å
316I97.4Very high93.5Very high0 Ų069.9 Ų69.90%038%0.383CS..EExtended strand (participates in β ladder)trans-88.9116.2166-58161.6000105.2F83 A90 M91 I328 V329 K332F83-I316 HydrophobicContact CE2-CB 4.48Å; F83-I316 HydrophobicContact CE2-CG2 3.83Å; F83-I316 HydrophobicContact CZ-CB 4.28Å; F83-I316 HydrophobicContact CZ-CG2 3.84Å; F83-I316 WeakPolarHBondContact CZ-O 3.46Å; A90-I316 CarbonylContact C-O 3.57Å; A90-I316 WeakPolarHBondContact CA-O 3.24Å; A90-I316 WeakPolarHBondContact CB-O 3.35Å; M91-I316 PolarHBondContact N-O 3.07Å; M91-I316 PolarHBondContact O-N 3.45Å; I316-I328 HydrophobicContact CD1-CG2 4.41Å; I316-I328 HydrophobicContact CG2-CG1 4.1Å; I316-I328 HydrophobicContact CG2-CG2 3.54Å; I316-V329 HydrophobicContact CD1-CB 3.96Å; I316-V329 HydrophobicContact CD1-CG2 3.87Å; I316-K332 HydrophobicContact CD1-CB 4.39Å; I316-K332 HydrophobicContact CG1-CB 3.92Å; I316-K332 HydrophobicContact CG1-CD 4Å; I316-K332 HydrophobicContact CG1-CG 4.31Å
317S97.6Very high93.6Very high37 Ų3770 Ų7026%0.25938%0.381SS..EExtended strand (participates in β ladder)trans-81.1158.7173.863.50000111.3Q319 E320 Y321S317-Q319 PolarHBondContact O-N 2.81Å; S317-E320 PolarHBondContact N-OE2 2.81Å; S317-E320 PolarHBondContact O-N 2.92Å; S317-E320 VanDerWaalsContact O-N 3.17Å; S317-E320 VanDerWaalsContact OG-CG 3.3Å; S317-E320 WeakPolarHBondContact OG-CG 3.42Å; S317-E320 PolarHBondContact OG-N 3Å; S317-E320 PolarHBondContact OG-OE2 2.81Å; S317-E320 VanDerWaalsContact OG-OE2 3.11Å; S317-Y321 PolarHBondContact O-N 3.32Å
318K97Very high93.7Very high59 Ų5966.2 Ų66.226%0.25735%0.353SS..Hα-helixtrans-55.3-38.4172.3179.757.1175.8155.70112.2F83 P89 Y321 D322F83-K318 HydrophobicContact CB-CD 4.22Å; F83-K318 HydrophobicContact CD1-CB 4.22Å; F83-K318 HydrophobicContact CD1-CD 3.67Å; F83-K318 HydrophobicContact CE1-CB 4.1Å; F83-K318 HydrophobicContact CE1-CD 4.36Å; F83-K318 HydrophobicContact CG-CD 4.24Å; F83-K318 PolarHBondContact O-NZ 2.88Å; P89-K318 PolarHBondContact O-N 2.89Å; K318-Y321 HydrophobicContact CD-CD1 4.48Å; K318-Y321 WeakPolarHBondContact O-CB 3.47Å; K318-Y321 PolarHBondContact O-N 3.45Å; K318-D322 VanDerWaalsContact CE-OD1 3.25Å; K318-D322 WeakPolarHBondContact CE-OD1 3.18Å; K318-D322 WeakPolarHBondContact CE-OD2 3.35Å; K318-D322 IonicContact NZ-OD1 3.4Å; K318-D322 PolarHBondContact NZ-OD1 2.62Å; K318-D322 IonicContact NZ-OD2 3.37Å; K318-D322 VanDerWaalsContact O-CG 3.24Å; K318-D322 PolarHBondContact O-N 3.02Å
319Q97Very high94Very high130 Ų13062.4 Ų62.461%0.60733%0.333SS*.Hα-helixtrans-60.2-49175.7-177.1-177.1-600112S317 Y321 D322 E323S317-Q319 PolarHBondContact O-N 2.81Å; Q319-Y321 VanDerWaalsContact C-N 3.26Å; Q319-Y321 PolarHBondContact O-N 3.36Å; Q319-D322 PolarHBondContact O-N 3.34Å; Q319-E323 WeakPolarHBondContact CG-OE1 3.46Å; Q319-E323 PolarHBondContact NE2-OE1 3.49Å; Q319-E323 WeakPolarHBondContact O-CG 3.44Å; Q319-E323 PolarHBondContact O-N 3.03Å; Q319-E323 VanDerWaalsContact O-N 3.08Å
320E96.9Very high94.2Very high57 Ų5759.8 Ų59.827%0.26631%0.311SS..Hα-helixtrans-63.4-35.3178.9-71.2170.8128.300112S317 A324 I328 K332S317-E320 PolarHBondContact N-OE2 2.81Å; S317-E320 PolarHBondContact O-N 2.92Å; S317-E320 VanDerWaalsContact O-N 3.17Å; S317-E320 VanDerWaalsContact OG-CG 3.3Å; S317-E320 WeakPolarHBondContact OG-CG 3.42Å; S317-E320 PolarHBondContact OG-N 3Å; S317-E320 PolarHBondContact OG-OE2 2.81Å; S317-E320 VanDerWaalsContact OG-OE2 3.11Å; E320-A324 WeakPolarHBondContact O-CB 3.34Å; E320-A324 PolarHBondContact O-N 2.85Å; E320-I328 HydrophobicContact CB-CG1 4.39Å; E320-K332 WeakPolarHBondContact OE1-CE 3.34Å; E320-K332 IonicContact OE1-NZ 2.87Å; E320-K332 PolarHBondContact OE1-NZ 3.35Å; E320-K332 IonicContact OE2-NZ 3.33Å; E320-K332 PolarHBondContact OE2-NZ 3.41Å
321Y97.8Very high94.3Very high7 Ų763.2 Ų63.23%0.02731%0.313CS..Hα-helixtrans-64.8-45.7173.1175.9-92.8000112T79 F83 E84 S317 K318 Q319 E323 A324 G325 P326 I328T79-Y321 HydrophobicContact CG2-CD2 3.8Å; T79-Y321 HydrophobicContact CG2-CE2 3.86Å; F83-Y321 HydrophobicContact CB-CD1 3.74Å; F83-Y321 HydrophobicContact CB-CD2 4.34Å; F83-Y321 HydrophobicContact CB-CE1 3.8Å; F83-Y321 HydrophobicContact CB-CE2 4.36Å; F83-Y321 HydrophobicContact CB-CG 4.02Å; F83-Y321 HydrophobicContact CD2-CD1 4.01Å; F83-Y321 AromaticContact CD2-CD2 3.3Å; F83-Y321 HydrophobicContact CD2-CD2 3.3Å; F83-Y321 AromaticContact CD2-CE2 3.87Å; F83-Y321 HydrophobicContact CD2-CE2 3.87Å; F83-Y321 AromaticContact CD2-CG 3.36Å; F83-Y321 HydrophobicContact CD2-CG 3.36Å; F83-Y321 AromaticContact CE2-CD2 3.8Å; F83-Y321 HydrophobicContact CE2-CD2 3.8Å; F83-Y321 AromaticContact CE2-CG 3.84Å; F83-Y321 HydrophobicContact CE2-CG 3.84Å; F83-Y321 AromaticContact CG-CD1 3.97Å; F83-Y321 HydrophobicContact CG-CD1 3.97Å; F83-Y321 HydrophobicContact CG-CD2 4.09Å; F83-Y321 HydrophobicContact CG-CE1 4.46Å; F83-Y321 AromaticContact CG-CG 3.77Å; F83-Y321 HydrophobicContact CG-CG 3.77Å; E84-Y321 HydrophobicContact CG-CE1 4.09Å; E84-Y321 PolarHBondContact OE1-OH 2.82Å; S317-Y321 PolarHBondContact O-N 3.32Å; K318-Y321 HydrophobicContact CD-CD1 4.48Å; K318-Y321 WeakPolarHBondContact O-CB 3.47Å; K318-Y321 PolarHBondContact O-N 3.45Å; Q319-Y321 VanDerWaalsContact C-N 3.26Å; Q319-Y321 PolarHBondContact O-N 3.36Å; Y321-E323 PolarHBondContact O-N 2.9Å; Y321-A324 PolarHBondContact O-N 2.89Å; Y321-G325 WeakPolarHBondContact O-CA 3.45Å; Y321-G325 PolarHBondContact O-N 3.29Å; Y321-P326 HydrophobicContact CE2-CB 4.19Å; Y321-P326 HydrophobicContact CE2-CG 3.84Å; Y321-I328 HydrophobicContact CD2-CG2 4.46Å
322D97.1Very high94.4Very high106 Ų10664.8 Ų64.857%0.56732%0.32SS*.Hα-helixtrans-65.3-28.8-179.3-67-22.8000112K318 Q319K318-D322 VanDerWaalsContact CE-OD1 3.25Å; K318-D322 WeakPolarHBondContact CE-OD1 3.18Å; K318-D322 WeakPolarHBondContact CE-OD2 3.35Å; K318-D322 IonicContact NZ-OD1 3.4Å; K318-D322 PolarHBondContact NZ-OD1 2.62Å; K318-D322 IonicContact NZ-OD2 3.37Å; K318-D322 VanDerWaalsContact O-CG 3.24Å; K318-D322 PolarHBondContact O-N 3.02Å; Q319-D322 PolarHBondContact O-N 3.34Å
323E97Very high94.5Very high143 Ų14359 Ų5967%0.66829%0.293SS*.Hα-helixtrans-81.6-40.1177.3-70175-165.500113.7Q319 Y321Q319-E323 WeakPolarHBondContact CG-OE1 3.46Å; Q319-E323 PolarHBondContact NE2-OE1 3.49Å; Q319-E323 WeakPolarHBondContact O-CG 3.44Å; Q319-E323 PolarHBondContact O-N 3.03Å; Q319-E323 VanDerWaalsContact O-N 3.08Å; Y321-E323 PolarHBondContact O-N 2.9Å
324A96.3Very high93.9Very high33 Ų3358.6 Ų58.627%0.27329%0.289SS..Hα-helixtrans-111.4-6.4-171.300000114.7E320 Y321 S327 I328E320-A324 WeakPolarHBondContact O-CB 3.34Å; E320-A324 PolarHBondContact O-N 2.85Å; Y321-A324 PolarHBondContact O-N 2.89Å; A324-S327 PolarHBondContact O-OG 2.82Å; A324-I328 HydrophobicContact CB-CB 4.04Å; A324-I328 HydrophobicContact CB-CD1 4.15Å; A324-I328 HydrophobicContact CB-CG1 4.41Å
325G96.4Very high94.1Very high22 Ų2257.6 Ų57.623%0.22728%0.284CS..  trans65.3-168.6-173.600000113.7Y321 S327 I328Y321-G325 WeakPolarHBondContact O-CA 3.45Å; Y321-G325 PolarHBondContact O-N 3.29Å; G325-S327 PolarHBondContact O-N 3.13Å; G325-S327 VanDerWaalsContact O-N 3.08Å; G325-I328 WeakPolarHBondContact O-CG2 3.46Å; G325-I328 PolarHBondContact O-N 2.73Å
326P95.7Very high94Very high39 Ų3957.5 Ų57.525%0.25329%0.287SS..G310 helixtrans-56.1-29-178-26.232.8000115E76 Q80 Y321 I328 V329E76-P326 HydrophobicContact CB-CB 3.77Å; E76-P326 HydrophobicContact CG-CB 4.07Å; Q80-P326 HydrophobicContact CB-CG 4.43Å; Y321-P326 HydrophobicContact CE2-CB 4.19Å; Y321-P326 HydrophobicContact CE2-CG 3.84Å; P326-I328 PolarHBondContact O-N 3.14Å; P326-V329 VanDerWaalsContact O-CG1 3.29Å; P326-V329 WeakPolarHBondContact O-CG1 3.38Å; P326-V329 PolarHBondContact O-N 2.98Å
327S96.1Very high93.9Very high43 Ų4360.7 Ų60.730%0.30130%0.303SS..G310 helixtrans-61.1-17.4-17876.30000114.2A324 G325 V329 H330A324-S327 PolarHBondContact O-OG 2.82Å; G325-S327 PolarHBondContact O-N 3.13Å; G325-S327 VanDerWaalsContact O-N 3.08Å; S327-V329 PolarHBondContact O-N 2.92Å; S327-V329 VanDerWaalsContact O-N 3.16Å; S327-H330 PolarHBondContact O-N 2.92Å; S327-H330 VanDerWaalsContact O-N 3.08Å
328I95.7Very high93.6Very high14 Ų1462.1 Ų62.17%0.07231%0.306CS..G310 helixtrans-55.7-30.7176.2-169.456.9000112.5I316 E320 Y321 A324 G325 P326 H330 R331 K332I316-I328 HydrophobicContact CD1-CG2 4.41Å; I316-I328 HydrophobicContact CG2-CG1 4.1Å; I316-I328 HydrophobicContact CG2-CG2 3.54Å; E320-I328 HydrophobicContact CB-CG1 4.39Å; Y321-I328 HydrophobicContact CD2-CG2 4.46Å; A324-I328 HydrophobicContact CB-CB 4.04Å; A324-I328 HydrophobicContact CB-CD1 4.15Å; A324-I328 HydrophobicContact CB-CG1 4.41Å; G325-I328 WeakPolarHBondContact O-CG2 3.46Å; G325-I328 PolarHBondContact O-N 2.73Å; P326-I328 PolarHBondContact O-N 3.14Å; I328-H330 PolarHBondContact O-N 2.96Å; I328-R331 HydrophobicContact CD1-CB 4.4Å; I328-R331 PolarHBondContact O-N 2.9Å; I328-K332 PolarHBondContact O-N 3.26Å
329V95Very high93.4Very high0 Ų062.3 Ų62.30%031%0.309CS..Hα-helixtrans-60.6-29.5179.576.20000112.5R75 E76 T79 V93 I316 P326 S327 R331 C333R75-V329 HydrophobicContact CB-CG1 4.44Å; R75-V329 HydrophobicContact CG-CG1 3.85Å; R75-V329 HydrophobicContact CG-CG2 3.82Å; E76-V329 HydrophobicContact CG-CG1 4.34Å; T79-V329 HydrophobicContact CG2-CB 4.5Å; V93-V329 HydrophobicContact CB-CG2 4.31Å; V93-V329 HydrophobicContact CG2-CG2 3.98Å; I316-V329 HydrophobicContact CD1-CB 3.96Å; I316-V329 HydrophobicContact CD1-CG2 3.87Å; P326-V329 VanDerWaalsContact O-CG1 3.29Å; P326-V329 WeakPolarHBondContact O-CG1 3.38Å; P326-V329 PolarHBondContact O-N 2.98Å; S327-V329 PolarHBondContact O-N 2.92Å; S327-V329 VanDerWaalsContact O-N 3.16Å; V329-R331 VanDerWaalsContact C-N 3.29Å; V329-R331 PolarHBondContact O-N 3.09Å; V329-C333 HydrophobicContact CG2-CB 4.1Å; V329-C333 VanDerWaalsContact O-CB 3.26Å; V329-C333 WeakPolarHBondContact O-CB 3.37Å; V329-C333 PolarHBondContact O-N 3.13Å
330H93.1Very high93.2Very high40 Ų4057.8 Ų57.819%0.18529%0.289CS..Hα-helixtrans-78.4-13177.1-61.5-45.6000114K72 E76 S327 I328K72-H330 WeakPolarHBondContact CB-NE2 3.31Å; E76-H330 WeakPolarHBondContact CG-NE2 3.37Å; E76-H330 IonicContact OE1-CD2 3.84Å; E76-H330 PolarHBondContact OE1-CD2 2.84Å; E76-H330 IonicContact OE1-NE2 2.78Å; E76-H330 PolarHBondContact OE1-NE2 3.12Å; S327-H330 PolarHBondContact O-N 2.92Å; S327-H330 VanDerWaalsContact O-N 3.08Å; I328-H330 PolarHBondContact O-N 2.96Å
331R90.1Very high92.9Very high166 Ų16657.9 Ų57.963%0.62629%0.291SS*.Hα-helixtrans-94.9-27.2177.8-57.6-177.1-171.4171.64.5112.5I328 V329 F334I328-R331 HydrophobicContact CD1-CB 4.4Å; I328-R331 PolarHBondContact O-N 2.9Å; V329-R331 VanDerWaalsContact C-N 3.29Å; V329-R331 PolarHBondContact O-N 3.09Å; R331-F334 WeakPolarHBondContact O-CE2 3.27Å; R331-F334 WeakPolarHBondContact O-CZ 3.32Å
332K89.3Confident92.6Very high42 Ų4261.8 Ų61.818%0.18331%0.311CS..Hα-helixtrans-107-31.3-177.1-74.1-148.7176.4-176.60114.7W315 I316 E320 I328W315-K332 PolarHBondContact O-NZ 3.48Å; I316-K332 HydrophobicContact CD1-CB 4.39Å; I316-K332 HydrophobicContact CG1-CB 3.92Å; I316-K332 HydrophobicContact CG1-CD 4Å; I316-K332 HydrophobicContact CG1-CG 4.31Å; E320-K332 WeakPolarHBondContact OE1-CE 3.34Å; E320-K332 IonicContact OE1-NZ 2.87Å; E320-K332 PolarHBondContact OE1-NZ 3.35Å; E320-K332 IonicContact OE2-NZ 3.33Å; E320-K332 PolarHBondContact OE2-NZ 3.41Å; I328-K332 PolarHBondContact O-N 3.26Å
333C86.9Confident92.2Very high3 Ų358.1 Ų58.12%0.0229%0.29CS..  trans-103.3108.8-177-58.50000110.4R75 Y92 V93 V329R75-C333 PolarHBondContact NH1-O 3.2Å; Y92-C333 VanDerWaalsContact CD2-SG 3.55Å; Y92-C333 HydrophobicContact CE2-CB 4.31Å; Y92-C333 VanDerWaalsContact CE2-SG 3.56Å; V93-C333 HydrophobicContact CB-CB 4.39Å; V93-C333 PolarHBondContact N-SG 2.78Å; V93-C333 VanDerWaalsContact N-SG 3.38Å; V93-C333 VanDerWaalsContact O-CB 3.31Å; V93-C333 WeakPolarHBondContact O-CB 3.49Å; V329-C333 HydrophobicContact CG2-CB 4.1Å; V329-C333 VanDerWaalsContact O-CB 3.26Å; V329-C333 WeakPolarHBondContact O-CB 3.37Å; V329-C333 PolarHBondContact O-N 3.13Å
334F74.7Confident91.7Very high152 Ų15250.4 Ų50.467%0.66726%0.255SS*.  trans-108.50-179.5-63.6-75000112.7I95 R331I95-F334 WeakPolarHBondContact CD1-OXT 3.3Å; R331-F334 WeakPolarHBondContact O-CE2 3.27Å; R331-F334 WeakPolarHBondContact O-CZ 3.32Å

Retrieved 334 of 334 residues in 161.5 ms (Link to these results)

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