A0A077Z8C1_TRITR Loading...

Atg14 domain containing protein

AlphaFold DB , UniProt , Accession A0A077Z8C1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 494 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
1M35.5Very low31.1Very low237 Ų237151.9 Ų151.9100%1.16782%0.82SS**  0113.10-88.9-176.6152.100107.8L3M1-L3 PolarHBondContact O-N 3.17Å
2L27.4Very low31.4Very low184 Ų184145.6 Ų145.696%0.96380%0.804SS**  trans-65.5121.6171.5-76146.3000108
3L35Very low31.6Very low157 Ų157145.7 Ų145.782%0.82280%0.803SS**  trans-109.9143.3166.7-93.9148.4000108.4M1M1-L3 PolarHBondContact O-N 3.17Å
4P28.5Very low31.7Very low108 Ų108141.4 Ų141.470%0.70181%0.809SS**  trans-85.7159.6-145.933.5-36.6000113.7
5P38.5Very low31.8Very low119 Ų119143.3 Ų143.377%0.77380%0.804SS**  trans-77.1158.6170.434.9-30.9000109.8
6E27.4Very low32.1Very low171 Ų171142.3 Ų142.380%0.79981%0.805SS**  trans91.477.1174.8-50.2-169179.500116.9
7L30.2Very low32.1Very low159 Ų159142.5 Ų142.583%0.83280%0.804SS**  trans-122.180.2137.3-95.1159.7000107.8I9L7-I9 VanDerWaalsContact C-N 3.29Å; L7-I9 HydrophobicContact CD2-CD1 4.48Å; L7-I9 HydrophobicContact CD2-CG1 4.38Å; L7-I9 PolarHBondContact O-N 2.81Å
8N26.6Very low32.5Very low140 Ų140139.7 Ų139.775%0.74979%0.794SS**  trans-64.690.2163-87.2-30.4000108.4
9I31.5Very low32.8Very low143 Ų143140.5 Ų140.573%0.73379%0.788SS**  trans-97.491.4164.1-56.9178.9000107L7 S11L7-I9 VanDerWaalsContact C-N 3.29Å; L7-I9 HydrophobicContact CD2-CD1 4.48Å; L7-I9 HydrophobicContact CD2-CG1 4.38Å; L7-I9 PolarHBondContact O-N 2.81Å; I9-S11 PolarHBondContact O-N 3.1Å
10I27.5Very low32.9Very low153 Ų153144.1 Ų144.179%0.78580%0.795SS**  trans-65.5106.9167.6-59.7167.3000106.8
11S33.6Very low33.1Very low100 Ų100145.3 Ų145.370%0.69979%0.789SS**  trans-106.296163.3-177.30000108.4I9I9-S11 PolarHBondContact O-N 3.1Å
12A35.7Very low33.1Very low76 Ų76138 Ų13863%0.62877%0.766SS**  trans-64.5134.8164.400000109
13N33Very low33.5Very low147 Ų147137.5 Ų137.579%0.78676%0.756SS**SBendtrans85.870.8173.8-54.5-21.3000117.3K15N13-K15 PolarHBondContact O-N 2.91Å
14G34.2Very low33.7Very low86 Ų86135.4 Ų135.489%0.88775%0.75SS**SBend59.77.7114.100000120.4
15K32.2Very low33.8Very low170 Ų170141.1 Ų141.174%0.73976%0.757SS**  trans-129.8122.3172.3-72.1-175.4178.7179.20109.4N13 N17N13-K15 PolarHBondContact O-N 2.91Å; K15-N17 PolarHBondContact O-N 3.31Å
16P37.1Very low34Very low126 Ų126139.3 Ų139.382%0.81874%0.744SS**  trans-77.577171.732.8-30.6000108.1C18P16-C18 PolarHBondContact O-N 3.39Å
17N32.7Very low34.4Very low147 Ų147139.5 Ų139.579%0.78675%0.745SS**  trans-74.6104.5161.2-87.3-9000107.2K15K15-N17 PolarHBondContact O-N 3.31Å
18C38.2Very low35Very low91 Ų91134.7 Ų134.762%0.61572%0.724SS**  trans-37.3154145.9-63.40000110.7P16P16-C18 PolarHBondContact O-N 3.39Å
19F37.6Very low36.2Very low156 Ų156134.2 Ų134.268%0.68473%0.729SS**  trans89.474.9175.3-53.2-76.7000116.5Y21F19-Y21 AromaticContact CD1-CD2 3.77Å; F19-Y21 HydrophobicContact CD1-CD2 3.77Å; F19-Y21 AromaticContact CD1-CE2 3.43Å; F19-Y21 HydrophobicContact CD1-CE2 3.43Å; F19-Y21 VanDerWaalsContact CD1-CE2 3.43Å; F19-Y21 AromaticContact CE1-CE2 3.74Å; F19-Y21 HydrophobicContact CE1-CE2 3.74Å
20F35.3Very low37.3Very low212 Ų212130.8 Ų130.893%0.9372%0.715SS**  trans-110.294.9134.3-101.1-88.9000108.2A22F20-A22 PolarHBondContact O-N 2.71Å
21Y37.8Very low38.7Very low170 Ų170128.4 Ų128.467%0.66771%0.709SS**  trans-59.783160.8-89.6-86000108.3F19 F23F19-Y21 AromaticContact CD1-CD2 3.77Å; F19-Y21 HydrophobicContact CD1-CD2 3.77Å; F19-Y21 AromaticContact CD1-CE2 3.43Å; F19-Y21 HydrophobicContact CD1-CE2 3.43Å; F19-Y21 VanDerWaalsContact CD1-CE2 3.43Å; F19-Y21 AromaticContact CE1-CE2 3.74Å; F19-Y21 HydrophobicContact CE1-CE2 3.74Å; Y21-F23 AromaticContact CD1-CD2 3.59Å; Y21-F23 HydrophobicContact CD1-CD2 3.59Å; Y21-F23 AromaticContact CD1-CE2 3.48Å; Y21-F23 HydrophobicContact CD1-CE2 3.48Å; Y21-F23 VanDerWaalsContact CD1-CE2 3.48Å; Y21-F23 HydrophobicContact CE1-CD2 4.3Å; Y21-F23 AromaticContact CE1-CE2 3.71Å; Y21-F23 HydrophobicContact CE1-CE2 3.71Å; Y21-F23 HydrophobicContact CG-CD2 4.45Å; Y21-F23 PolarHBondContact O-N 3.46Å
22A36.2Very low39.7Very low83 Ų83131.9 Ų131.969%0.68671%0.708SS**  trans-76.275.1158.700000107.1F20 V24F20-A22 PolarHBondContact O-N 2.71Å; A22-V24 HydrophobicContact CB-CG2 4.35Å; A22-V24 PolarHBondContact O-N 3.21Å
23F34.1Very low40.4Very low174 Ų174132.1 Ų132.176%0.76370%0.695SS**  trans-6585.6156.1-96.9-78.9000106.1Y21 R25Y21-F23 AromaticContact CD1-CD2 3.59Å; Y21-F23 HydrophobicContact CD1-CD2 3.59Å; Y21-F23 AromaticContact CD1-CE2 3.48Å; Y21-F23 HydrophobicContact CD1-CE2 3.48Å; Y21-F23 VanDerWaalsContact CD1-CE2 3.48Å; Y21-F23 HydrophobicContact CE1-CD2 4.3Å; Y21-F23 AromaticContact CE1-CE2 3.71Å; Y21-F23 HydrophobicContact CE1-CE2 3.71Å; Y21-F23 HydrophobicContact CG-CD2 4.45Å; Y21-F23 PolarHBondContact O-N 3.46Å; F23-R25 PolarHBondContact O-N 2.74Å
24V39.4Very low41.5Very low113 Ų113131.8 Ų131.869%0.68569%0.689SS**  trans-64.591.7167.1173.60000106A22 V26A22-V24 HydrophobicContact CB-CG2 4.35Å; A22-V24 PolarHBondContact O-N 3.21Å; V24-V26 HydrophobicContact CG1-CB 4.21Å; V24-V26 HydrophobicContact CG1-CG2 3.34Å; V24-V26 PolarHBondContact O-N 2.82Å
25R30.8Very low43Very low228 Ų228132.1 Ų132.186%0.8667%0.673SS**  trans-74.774.8174.9-158.5-177.2-157.6177.85.1107.6F23F23-R25 PolarHBondContact O-N 2.74Å
26V43.4Very low44.7Very low81 Ų81130 Ų13049%0.49167%0.67SS.*  trans-96.8108.4172.7169.50000107.4V24 S28 K33V24-V26 HydrophobicContact CG1-CB 4.21Å; V24-V26 HydrophobicContact CG1-CG2 3.34Å; V24-V26 PolarHBondContact O-N 2.82Å; V26-S28 PolarHBondContact O-N 2.77Å; V26-K33 PolarHBondContact O-NZ 3.43Å
27E35.8Very low46.4Very low174 Ų174130 Ų13081%0.81366%0.662SS**  trans-74.399.5172.9-69.2178.6168.500109.1
28S43.1Very low48.4Very low58 Ų58128.5 Ų128.541%0.40665%0.653SS.*  trans-164.3140159.767.20000110.2V26 T30 K33V26-S28 PolarHBondContact O-N 2.77Å; S28-T30 PolarHBondContact O-N 2.98Å; S28-K33 PolarHBondContact O-NZ 2.85Å
29P50.2Low50.3Low131 Ų131127.7 Ų127.785%0.85165%0.645SS**  trans-94.896.6-173.334.7-27.2000109.9
30T56Low52.2Low70 Ų70121.6 Ų121.643%0.42963%0.626SS.*  trans-136.9141.4170.355.20000111.7S28 Y32 K33S28-T30 PolarHBondContact O-N 2.98Å; T30-Y32 PolarHBondContact O-N 3.48Å; T30-Y32 VanDerWaalsContact O-N 3.14Å; T30-K33 PolarHBondContact O-N 2.81Å
31P55.7Low54.3Low103 Ų103118.9 Ų118.967%0.66961%0.611SS**THydrogen-bonded Turntrans-63.9-18.2-178.125.2-34000113.4K33 H34P31-K33 PolarHBondContact O-N 3.47Å; P31-K33 VanDerWaalsContact O-N 3.15Å; P31-H34 PolarHBondContact O-N 3.28Å
32Y54.6Low56.3Low174 Ų174120.1 Ų120.168%0.68261%0.614SS**Hα-helixtrans-58.4-24.4175.5-70.8-79000113.6T30 L36T30-Y32 PolarHBondContact O-N 3.48Å; T30-Y32 VanDerWaalsContact O-N 3.14Å; Y32-L36 WeakPolarHBondContact O-CB 3.43Å; Y32-L36 PolarHBondContact O-N 3.18Å
33K51.9Low58.5Low81 Ų81122.2 Ų122.235%0.35261%0.61SS.*Hα-helixtrans-61.9-43.6177-87.7-179.6175.6165.30113.7V26 S28 T30 P31 L36 L37V26-K33 PolarHBondContact O-NZ 3.43Å; S28-K33 PolarHBondContact O-NZ 2.85Å; T30-K33 PolarHBondContact O-N 2.81Å; P31-K33 PolarHBondContact O-N 3.47Å; P31-K33 VanDerWaalsContact O-N 3.15Å; K33-L36 PolarHBondContact O-N 2.82Å; K33-L37 VanDerWaalsContact O-CB 3.29Å; K33-L37 WeakPolarHBondContact O-CB 3.37Å; K33-L37 WeakPolarHBondContact O-CG 3.33Å; K33-L37 PolarHBondContact O-N 3.21Å
34H56.1Low60.8Low140 Ų140119.4 Ų119.465%0.64860%0.602SS**Hα-helixtrans-65.8-42.6-177.5-79.4-73.8000110.9P31 L37 I38P31-H34 PolarHBondContact O-N 3.28Å; H34-L37 PolarHBondContact O-N 3.48Å; H34-I38 WeakPolarHBondContact O-CB 3.46Å; H34-I38 WeakPolarHBondContact O-CD1 3.31Å; H34-I38 WeakPolarHBondContact O-CG1 3.46Å; H34-I38 PolarHBondContact O-N 3.25Å
35T64.4Low62.8Low92 Ų92117.4 Ų117.456%0.56459%0.587SS**Hα-helixtrans-65.6-44.9177.7-46.20000111.8I38 V39T35-I38 PolarHBondContact O-N 2.84Å; T35-V39 VanDerWaalsContact O-CG2 3.28Å; T35-V39 WeakPolarHBondContact O-CG2 3.31Å; T35-V39 PolarHBondContact O-N 3.29Å
36L67.5Low65.5Low127 Ų127112.8 Ų112.867%0.66557%0.573SS**Hα-helixtrans-63.5-41.1176.5-95.7143.2000112.4Y32 K33 V39 G40Y32-L36 WeakPolarHBondContact O-CB 3.43Å; Y32-L36 PolarHBondContact O-N 3.18Å; K33-L36 PolarHBondContact O-N 2.82Å; L36-V39 PolarHBondContact O-N 2.87Å; L36-G40 PolarHBondContact O-N 2.77Å
37L72.8Confident67.4Low125 Ų125112.6 Ų112.665%0.65458%0.575SS**Hα-helixtrans-62.9-43.1174.4-86.8162000111.9K33 H34 G40 Y41K33-L37 VanDerWaalsContact O-CB 3.29Å; K33-L37 WeakPolarHBondContact O-CB 3.37Å; K33-L37 WeakPolarHBondContact O-CG 3.33Å; K33-L37 PolarHBondContact O-N 3.21Å; H34-L37 PolarHBondContact O-N 3.48Å; L37-G40 PolarHBondContact O-N 3.43Å; L37-Y41 VanDerWaalsContact O-CB 3.28Å; L37-Y41 WeakPolarHBondContact O-CB 3.45Å; L37-Y41 PolarHBondContact O-N 2.92Å
38I76.1Confident69.8Low115 Ų115110.5 Ų110.559%0.5957%0.565SS**Hα-helixtrans-65.2-44.3178.1-68.7163.7000110.9H34 T35 Y41 R42H34-I38 WeakPolarHBondContact O-CB 3.46Å; H34-I38 WeakPolarHBondContact O-CD1 3.31Å; H34-I38 WeakPolarHBondContact O-CG1 3.46Å; H34-I38 PolarHBondContact O-N 3.25Å; T35-I38 PolarHBondContact O-N 2.84Å; I38-Y41 PolarHBondContact O-N 2.8Å; I38-R42 WeakPolarHBondContact O-CB 3.45Å; I38-R42 PolarHBondContact O-N 3.34Å
39V76.7Confident72Confident74 Ų74111.5 Ų111.545%0.44857%0.568SS.*Hα-helixtrans-64-45178173.20000110.8T35 L36 R42 Q43T35-V39 VanDerWaalsContact O-CG2 3.28Å; T35-V39 WeakPolarHBondContact O-CG2 3.31Å; T35-V39 PolarHBondContact O-N 3.29Å; L36-V39 PolarHBondContact O-N 2.87Å; V39-R42 PolarHBondContact O-N 3.36Å; V39-Q43 PolarHBondContact O-N 3.1Å
40G78.6Confident73.9Confident28 Ų28108.6 Ų108.629%0.28954%0.544SS..Hα-helixtrans-62.5-43.6176.500000112.6L36 L37 Q43 L44L36-G40 PolarHBondContact O-N 2.77Å; L37-G40 PolarHBondContact O-N 3.43Å; G40-Q43 PolarHBondContact O-N 3.43Å; G40-L44 WeakPolarHBondContact O-CB 3.27Å; G40-L44 WeakPolarHBondContact O-CG 3.34Å; G40-L44 PolarHBondContact O-N 3.33Å
41Y80.1Confident75.5Confident156 Ų156111 Ų11161%0.61255%0.55SS*.Hα-helixtrans-64.9-40.3176.5-167.2-104.6000111.9L37 I38 L44 L45L37-Y41 VanDerWaalsContact O-CB 3.28Å; L37-Y41 WeakPolarHBondContact O-CB 3.45Å; L37-Y41 PolarHBondContact O-N 2.92Å; I38-Y41 PolarHBondContact O-N 2.8Å; Y41-L44 PolarHBondContact O-N 2.77Å; Y41-L45 HydrophobicContact CD1-CD1 3.61Å; Y41-L45 HydrophobicContact CD1-CG 4.12Å; Y41-L45 HydrophobicContact CE1-CD1 3.31Å; Y41-L45 HydrophobicContact CE1-CD2 4.37Å; Y41-L45 HydrophobicContact CE1-CG 3.86Å; Y41-L45 WeakPolarHBondContact O-CB 3.4Å; Y41-L45 WeakPolarHBondContact O-CG 3.48Å; Y41-L45 PolarHBondContact O-N 2.81Å
42R79.5Confident77.2Confident196 Ų196107.3 Ų107.374%0.7453%0.53SS*.Hα-helixtrans-63.2-41.8174.8-171.2178.5179.7-176.80.1112I38 V39 F46I38-R42 WeakPolarHBondContact O-CB 3.45Å; I38-R42 PolarHBondContact O-N 3.34Å; V39-R42 PolarHBondContact O-N 3.36Å; R42-F46 VanDerWaalsContact O-CB 3.29Å; R42-F46 WeakPolarHBondContact O-CB 3.47Å; R42-F46 PolarHBondContact O-N 3.24Å
43Q81.9Confident79Confident126 Ų126105.7 Ų105.759%0.58952%0.523SS*.Hα-helixtrans-66.8-41.3175.1-83.8172.8-24.500112.3V39 G40 F46 C47V39-Q43 PolarHBondContact O-N 3.1Å; G40-Q43 PolarHBondContact O-N 3.43Å; Q43-F46 PolarHBondContact O-N 2.58Å; Q43-C47 WeakPolarHBondContact O-CB 3.48Å; Q43-C47 PolarHBondContact O-N 2.87Å; Q43-C47 PolarHBondContact O-SG 3.46Å
44L81.2Confident80.9Confident115 Ų115104.1 Ų104.160%0.60252%0.522SS*.Hα-helixtrans-63.4-47.2175.6-78.7168.9000111.9G40 Y41 F46 C47 Q48G40-L44 WeakPolarHBondContact O-CB 3.27Å; G40-L44 WeakPolarHBondContact O-CG 3.34Å; G40-L44 PolarHBondContact O-N 3.33Å; Y41-L44 PolarHBondContact O-N 2.77Å; L44-F46 VanDerWaalsContact C-N 3.32Å; L44-F46 PolarHBondContact O-N 3.36Å; L44-C47 PolarHBondContact O-N 3.47Å; L44-Q48 WeakPolarHBondContact O-CG 3.17Å; L44-Q48 PolarHBondContact O-N 3.19Å
45L82.8Confident82.6Confident71 Ų7199.6 Ų99.637%0.37250%0.504SS..Hα-helixtrans-59.9-43.1174.5-77.6176.8000111.5Y41 Q48 V49Y41-L45 HydrophobicContact CD1-CD1 3.61Å; Y41-L45 HydrophobicContact CD1-CG 4.12Å; Y41-L45 HydrophobicContact CE1-CD1 3.31Å; Y41-L45 HydrophobicContact CE1-CD2 4.37Å; Y41-L45 HydrophobicContact CE1-CG 3.86Å; Y41-L45 WeakPolarHBondContact O-CB 3.4Å; Y41-L45 WeakPolarHBondContact O-CG 3.48Å; Y41-L45 PolarHBondContact O-N 2.81Å; L45-Q48 PolarHBondContact O-N 2.84Å; L45-V49 VanDerWaalsContact O-CG2 3.3Å; L45-V49 WeakPolarHBondContact O-CG2 3.42Å; L45-V49 PolarHBondContact O-N 3.34Å
46F86.2Confident84Confident131 Ų131100.8 Ų100.858%0.57551%0.507SS*.Hα-helixtrans-61.2-45176.1-175.1-94.8000111.5R42 Q43 L44 Q48 V49 E50R42-F46 VanDerWaalsContact O-CB 3.29Å; R42-F46 WeakPolarHBondContact O-CB 3.47Å; R42-F46 PolarHBondContact O-N 3.24Å; Q43-F46 PolarHBondContact O-N 2.58Å; L44-F46 VanDerWaalsContact C-N 3.32Å; L44-F46 PolarHBondContact O-N 3.36Å; F46-Q48 PolarHBondContact O-N 3.44Å; F46-V49 PolarHBondContact O-N 2.98Å; F46-E50 HydrophobicContact CD1-CG 4.16Å; F46-E50 HydrophobicContact CE1-CG 3.67Å; F46-E50 HydrophobicContact CE2-CG 4.26Å; F46-E50 HydrophobicContact CZ-CG 3.73Å; F46-E50 WeakPolarHBondContact O-CB 3.31Å; F46-E50 PolarHBondContact O-N 2.89Å
47C84.3Confident85.2Confident78 Ų78101.5 Ų101.553%0.52751%0.505SS..Hα-helixtrans-62-40.8175.6-69.10000112Q43 L44 H51Q43-C47 WeakPolarHBondContact O-CB 3.48Å; Q43-C47 PolarHBondContact O-N 2.87Å; Q43-C47 PolarHBondContact O-SG 3.46Å; L44-C47 PolarHBondContact O-N 3.47Å; C47-H51 WeakPolarHBondContact O-CB 3.4Å; C47-H51 PolarHBondContact O-N 3.38Å
48Q87.1Confident86.3Confident130 Ų130102 Ų10261%0.60750%0.504SS*.Hα-helixtrans-64.5-41.9175.7-76.9-174.8-22.100112.2L44 L45 F46 G52L44-Q48 WeakPolarHBondContact O-CG 3.17Å; L44-Q48 PolarHBondContact O-N 3.19Å; L45-Q48 PolarHBondContact O-N 2.84Å; F46-Q48 PolarHBondContact O-N 3.44Å; Q48-G52 PolarHBondContact O-N 2.86Å
49V89.1Confident87.1Confident78 Ų78101.2 Ų101.247%0.47350%0.5SS..Hα-helixtrans-67.4-44.9177.8171.60000111.2L45 F46 G52 R53L45-V49 VanDerWaalsContact O-CG2 3.3Å; L45-V49 WeakPolarHBondContact O-CG2 3.42Å; L45-V49 PolarHBondContact O-N 3.34Å; F46-V49 PolarHBondContact O-N 2.98Å; V49-G52 CarbonylContact O-C 3.6Å; V49-G52 PolarHBondContact O-N 3.2Å; V49-R53 WeakPolarHBondContact O-CB 3.42Å; V49-R53 WeakPolarHBondContact O-CG 3.49Å; V49-R53 PolarHBondContact O-N 3.35Å
50E89.7Confident88Confident70 Ų70100.8 Ų100.833%0.32750%0.5SS..Hα-helixtrans-67.6-37.6177.1-75.2-57137.800111.9F46 R53 S54F46-E50 HydrophobicContact CD1-CG 4.16Å; F46-E50 HydrophobicContact CE1-CG 3.67Å; F46-E50 HydrophobicContact CE2-CG 4.26Å; F46-E50 HydrophobicContact CZ-CG 3.73Å; F46-E50 WeakPolarHBondContact O-CB 3.31Å; F46-E50 PolarHBondContact O-N 2.89Å; E50-R53 PolarHBondContact O-N 3.2Å; E50-R53 WeakPolarHBondContact OE1-CD 3.4Å; E50-R53 IonicContact OE1-CZ 3.28Å; E50-R53 IonicContact OE1-NE 2.69Å; E50-R53 IonicContact OE1-NH1 2.94Å; E50-R53 PolarHBondContact OE1-NH1 2.93Å; E50-S54 WeakPolarHBondContact O-CB 3.49Å; E50-S54 PolarHBondContact O-N 3.33Å; E50-S54 PolarHBondContact O-OG 3.39Å
51H89.9Confident88.8Confident121 Ų121103.8 Ų103.856%0.5651%0.509SS*.Hα-helixtrans-61.1-47.5170.6-171.270000110.8C47 R53 S54 T55C47-H51 WeakPolarHBondContact O-CB 3.4Å; C47-H51 PolarHBondContact O-N 3.38Å; H51-R53 VanDerWaalsContact C-N 3.33Å; H51-R53 PolarHBondContact O-N 2.82Å; H51-S54 PolarHBondContact O-N 2.87Å; H51-S54 VanDerWaalsContact O-N 3.14Å; H51-S54 PolarHBondContact O-OG 3.02Å; H51-T55 WeakPolarHBondContact O-CG2 3.26Å; H51-T55 PolarHBondContact O-N 3Å; H51-T55 PolarHBondContact O-OG1 3.43Å
52G91Very high89.5Confident25 Ų25101.8 Ų101.826%0.25850%0.504SS..Hα-helixtrans-58.4-39.4174.200000113.6Q48 V49 T55 L56Q48-G52 PolarHBondContact O-N 2.86Å; V49-G52 CarbonylContact O-C 3.6Å; V49-G52 PolarHBondContact O-N 3.2Å; G52-T55 WeakPolarHBondContact CA-OG1 3.35Å; G52-T55 PolarHBondContact O-OG1 3.24Å; G52-L56 VanDerWaalsContact O-CB 3.32Å; G52-L56 WeakPolarHBondContact O-CB 3.34Å; G52-L56 WeakPolarHBondContact O-CG 3.26Å; G52-L56 PolarHBondContact O-N 2.78Å
53R92.7Very high90.3Very high140 Ų14097.9 Ų97.953%0.52850%0.497SS..Hα-helixtrans-66.1-42.1173.7-77173170.6-173.7-4.9111.8V49 E50 H51 L56 K57V49-R53 WeakPolarHBondContact O-CB 3.42Å; V49-R53 WeakPolarHBondContact O-CG 3.49Å; V49-R53 PolarHBondContact O-N 3.35Å; E50-R53 PolarHBondContact O-N 3.2Å; E50-R53 WeakPolarHBondContact OE1-CD 3.4Å; E50-R53 IonicContact OE1-CZ 3.28Å; E50-R53 IonicContact OE1-NE 2.69Å; E50-R53 IonicContact OE1-NH1 2.94Å; E50-R53 PolarHBondContact OE1-NH1 2.93Å; H51-R53 VanDerWaalsContact C-N 3.33Å; H51-R53 PolarHBondContact O-N 2.82Å; R53-L56 PolarHBondContact O-N 3.37Å; R53-K57 WeakPolarHBondContact O-CB 3.36Å; R53-K57 WeakPolarHBondContact O-CG 3.34Å; R53-K57 PolarHBondContact O-N 3.41Å
54S91.4Very high91Very high48 Ų4897.1 Ų97.134%0.33649%0.494SS..Hα-helixtrans-65.3-42.5178.475.60000111.7E50 H51 K57 Q58E50-S54 WeakPolarHBondContact O-CB 3.49Å; E50-S54 PolarHBondContact O-N 3.33Å; E50-S54 PolarHBondContact O-OG 3.39Å; H51-S54 PolarHBondContact O-N 2.87Å; H51-S54 VanDerWaalsContact O-N 3.14Å; H51-S54 PolarHBondContact O-OG 3.02Å; S54-K57 PolarHBondContact O-N 3.12Å; S54-Q58 WeakPolarHBondContact O-CG 3.32Å; S54-Q58 PolarHBondContact O-N 3.08Å
55T92Very high91.7Very high45 Ų45100.4 Ų100.428%0.27650%0.498SS..Hα-helixtrans-67.7-40.7176.753.90000111.3H51 G52 K57 Q58 L59H51-T55 WeakPolarHBondContact O-CG2 3.26Å; H51-T55 PolarHBondContact O-N 3Å; H51-T55 PolarHBondContact O-OG1 3.43Å; G52-T55 WeakPolarHBondContact CA-OG1 3.35Å; G52-T55 PolarHBondContact O-OG1 3.24Å; T55-K57 PolarHBondContact O-N 2.79Å; T55-Q58 PolarHBondContact O-N 3.4Å; T55-L59 WeakPolarHBondContact O-CB 3.49Å; T55-L59 WeakPolarHBondContact O-CG 3.42Å; T55-L59 PolarHBondContact O-N 3.1Å
56L93.4Very high92.4Very high118 Ų118101.2 Ų101.262%0.61850%0.5SS*.Hα-helixtrans-62.2-40.9173.5-76.2173.1000112.6G52 R53 L59 S60G52-L56 VanDerWaalsContact O-CB 3.32Å; G52-L56 WeakPolarHBondContact O-CB 3.34Å; G52-L56 WeakPolarHBondContact O-CG 3.26Å; G52-L56 PolarHBondContact O-N 2.78Å; R53-L56 PolarHBondContact O-N 3.37Å; L56-L59 PolarHBondContact O-N 3.05Å; L56-S60 PolarHBondContact O-N 3.41Å
57K93.6Very high92.9Very high142 Ų142102.8 Ų102.862%0.61750%0.502SS*.Hα-helixtrans-64.3-40.9173.9-76.6176.7-179.7178.30112.1R53 S54 T55 S60 L61R53-K57 WeakPolarHBondContact O-CB 3.36Å; R53-K57 WeakPolarHBondContact O-CG 3.34Å; R53-K57 PolarHBondContact O-N 3.41Å; S54-K57 PolarHBondContact O-N 3.12Å; T55-K57 PolarHBondContact O-N 2.79Å; K57-S60 PolarHBondContact O-N 3.46Å; K57-S60 PolarHBondContact O-OG 3.42Å; K57-L61 WeakPolarHBondContact O-CG 3.4Å; K57-L61 PolarHBondContact O-N 2.82Å
58Q94.1Very high93.4Very high135 Ų135102.9 Ų102.963%0.63150%0.497SS*.Hα-helixtrans-64.4-42.7175.7-75.1177.5-12.100111.4S54 T55 L61 F62S54-Q58 WeakPolarHBondContact O-CG 3.32Å; S54-Q58 PolarHBondContact O-N 3.08Å; T55-Q58 PolarHBondContact O-N 3.4Å; Q58-L61 PolarHBondContact O-N 3.35Å; Q58-F62 WeakPolarHBondContact O-CB 3.43Å; Q58-F62 PolarHBondContact O-N 3.21Å
59L94.3Very high93.9Very high98 Ų9899.8 Ų99.851%0.51349%0.49SS..Hα-helixtrans-63-42.2174.7-74.5170.5000111.7T55 L56 L61 F62 L63T55-L59 WeakPolarHBondContact O-CB 3.49Å; T55-L59 WeakPolarHBondContact O-CG 3.42Å; T55-L59 PolarHBondContact O-N 3.1Å; L56-L59 PolarHBondContact O-N 3.05Å; L59-L61 PolarHBondContact O-N 3.03Å; L59-F62 PolarHBondContact O-N 3.03Å; L59-L63 WeakPolarHBondContact O-CB 3.26Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.37Å; L59-L63 PolarHBondContact O-N 3.1Å
60S94.9Very high94.2Very high65 Ų65100.4 Ų100.446%0.45549%0.493SS..Hα-helixtrans-63.2-43.5178.273.10000111.9L56 K57 L63 E64L56-S60 PolarHBondContact O-N 3.41Å; K57-S60 PolarHBondContact O-N 3.46Å; K57-S60 PolarHBondContact O-OG 3.42Å; S60-L63 PolarHBondContact O-N 2.71Å; S60-E64 WeakPolarHBondContact O-CB 3.35Å; S60-E64 PolarHBondContact O-N 3.23Å
61L95.7Very high94.5Very high92 Ų92101.7 Ų101.748%0.48250%0.498SS..Hα-helixtrans-64.5-39.2175-71.7172000112.1K57 Q58 L59 E64 R65K57-L61 WeakPolarHBondContact O-CG 3.4Å; K57-L61 PolarHBondContact O-N 2.82Å; Q58-L61 PolarHBondContact O-N 3.35Å; L59-L61 PolarHBondContact O-N 3.03Å; L61-E64 PolarHBondContact O-N 3.39Å; L61-R65 WeakPolarHBondContact O-CG 3.37Å; L61-R65 PolarHBondContact O-N 2.75Å
62F95.6Very high94.8Very high113 Ų11397.9 Ų97.950%0.49649%0.488SS..Hα-helixtrans-62.9-48.7175.3177.9-97.1000111.2Q58 L59 E64 R65 Q66Q58-F62 WeakPolarHBondContact O-CB 3.43Å; Q58-F62 PolarHBondContact O-N 3.21Å; L59-F62 PolarHBondContact O-N 3.03Å; F62-E64 VanDerWaalsContact C-N 3.3Å; F62-E64 PolarHBondContact O-N 2.98Å; F62-R65 PolarHBondContact O-N 2.8Å; F62-Q66 HydrophobicContact CD1-CG 4.11Å; F62-Q66 HydrophobicContact CE1-CG 3.68Å; F62-Q66 HydrophobicContact CE2-CG 4.3Å; F62-Q66 HydrophobicContact CZ-CG 3.8Å; F62-Q66 WeakPolarHBondContact O-CG 3.46Å; F62-Q66 PolarHBondContact O-N 3.34Å
63L96.2Very high95Very high114 Ų11498.7 Ų98.760%0.59749%0.489SS*.Hα-helixtrans-61.7-37.6177.7-70.4176000112.1L59 S60 Q66 R67L59-L63 WeakPolarHBondContact O-CB 3.26Å; L59-L63 VanDerWaalsContact O-CG 3.31Å; L59-L63 WeakPolarHBondContact O-CG 3.37Å; L59-L63 PolarHBondContact O-N 3.1Å; S60-L63 PolarHBondContact O-N 2.71Å; L63-Q66 PolarHBondContact O-N 3.39Å; L63-R67 WeakPolarHBondContact O-CB 3.47Å; L63-R67 PolarHBondContact O-N 3.44Å
64E96.1Very high95.1Very high111 Ų11194.6 Ų94.652%0.51948%0.482SS..Hα-helixtrans-65.9-43.4175.4-173.1171.6-166.100112.2S60 L61 F62 Q66 R67 N68S60-E64 WeakPolarHBondContact O-CB 3.35Å; S60-E64 PolarHBondContact O-N 3.23Å; L61-E64 PolarHBondContact O-N 3.39Å; F62-E64 VanDerWaalsContact C-N 3.3Å; F62-E64 PolarHBondContact O-N 2.98Å; E64-Q66 PolarHBondContact O-N 2.83Å; E64-R67 PolarHBondContact O-N 3.24Å; E64-N68 WeakPolarHBondContact O-CB 3.3Å; E64-N68 VanDerWaalsContact O-CG 3.3Å; E64-N68 PolarHBondContact O-N 3.45Å; E64-N68 PolarHBondContact O-ND2 3.35Å
65R96.5Very high95.4Very high183 Ų18397 Ų9769%0.69149%0.491SS*.Hα-helixtrans-60.2-44.3172.6-74.2177.4-175.4174.61.9111.7L61 F62 N68 S69L61-R65 WeakPolarHBondContact O-CG 3.37Å; L61-R65 PolarHBondContact O-N 2.75Å; F62-R65 PolarHBondContact O-N 2.8Å; R65-N68 PolarHBondContact O-N 3.33Å; R65-S69 WeakPolarHBondContact O-CB 3.38Å; R65-S69 PolarHBondContact O-N 3.07Å
66Q96.7Very high95.6Very high88 Ų88102.1 Ų102.141%0.41151%0.505SS..Hα-helixtrans-62.2-45.3176.2-67.9-55.3-34.300111.2F62 L63 E64 N68 S69 V70F62-Q66 HydrophobicContact CD1-CG 4.11Å; F62-Q66 HydrophobicContact CE1-CG 3.68Å; F62-Q66 HydrophobicContact CE2-CG 4.3Å; F62-Q66 HydrophobicContact CZ-CG 3.8Å; F62-Q66 WeakPolarHBondContact O-CG 3.46Å; F62-Q66 PolarHBondContact O-N 3.34Å; L63-Q66 PolarHBondContact O-N 3.39Å; E64-Q66 PolarHBondContact O-N 2.83Å; Q66-N68 VanDerWaalsContact C-N 3.33Å; Q66-N68 PolarHBondContact O-N 3.01Å; Q66-S69 WeakPolarHBondContact O-CB 3.47Å; Q66-S69 PolarHBondContact O-N 2.78Å; Q66-V70 WeakPolarHBondContact O-CG2 3.24Å; Q66-V70 PolarHBondContact O-N 2.68Å
67R96.1Very high95.7Very high165 Ų165102.4 Ų102.462%0.62351%0.507SS*.Hα-helixtrans-58-44.6175.8-176.6-178.6-176.7-170.6-0.4111.8L63 E64 V70 K71L63-R67 WeakPolarHBondContact O-CB 3.47Å; L63-R67 PolarHBondContact O-N 3.44Å; E64-R67 PolarHBondContact O-N 3.24Å; R67-V70 PolarHBondContact O-N 3.41Å; R67-K71 HydrophobicContact CG-CD 4.47Å; R67-K71 VanDerWaalsContact O-CG 3.31Å; R67-K71 WeakPolarHBondContact O-CG 3.42Å; R67-K71 PolarHBondContact O-N 3.19Å
68N96.2Very high95.9Very high80 Ų80100.2 Ų100.243%0.42850%0.499SS..Hα-helixtrans-69.3-37.7179.2-69.7-19.4000111.9E64 R65 Q66 K71 A72E64-N68 WeakPolarHBondContact O-CB 3.3Å; E64-N68 VanDerWaalsContact O-CG 3.3Å; E64-N68 PolarHBondContact O-N 3.45Å; E64-N68 PolarHBondContact O-ND2 3.35Å; R65-N68 PolarHBondContact O-N 3.33Å; Q66-N68 VanDerWaalsContact C-N 3.33Å; Q66-N68 PolarHBondContact O-N 3.01Å; N68-K71 PolarHBondContact O-N 2.75Å; N68-A72 WeakPolarHBondContact O-CB 3.19Å; N68-A72 PolarHBondContact O-N 3.25Å
69S95.9Very high96Very high64 Ų64100.3 Ų100.345%0.44850%0.499SS..Hα-helixtrans-60.2-47.7172.9-175.30000111.8R65 Q66 K71 A72 S73R65-S69 WeakPolarHBondContact O-CB 3.38Å; R65-S69 PolarHBondContact O-N 3.07Å; Q66-S69 WeakPolarHBondContact O-CB 3.47Å; Q66-S69 PolarHBondContact O-N 2.78Å; S69-K71 PolarHBondContact O-N 3.32Å; S69-A72 PolarHBondContact O-N 2.84Å; S69-S73 PolarHBondContact O-N 2.95Å; S69-S73 PolarHBondContact O-OG 2.8Å
70V96.2Very high96.1Very high91 Ų9199.6 Ų99.655%0.55250%0.499SS*.Hα-helixtrans-64.8-39.5178173.40000111.8Q66 R67 S73 S74Q66-V70 WeakPolarHBondContact O-CG2 3.24Å; Q66-V70 PolarHBondContact O-N 2.68Å; R67-V70 PolarHBondContact O-N 3.41Å; V70-S73 WeakPolarHBondContact CA-OG 3.13Å; V70-S73 PolarHBondContact O-N 2.8Å; V70-S73 PolarHBondContact O-OG 3.16Å; V70-S74 VanDerWaalsContact O-CB 3.32Å; V70-S74 WeakPolarHBondContact O-CB 3.41Å; V70-S74 PolarHBondContact O-N 3.48Å
71K96.3Very high96.2Very high98 Ų98104.4 Ų104.443%0.42651%0.507SS..Hα-helixtrans-62-44.5173.1-76.1174.8178.6179.40111.6R67 N68 S69 S74 N75R67-K71 HydrophobicContact CG-CD 4.47Å; R67-K71 VanDerWaalsContact O-CG 3.31Å; R67-K71 WeakPolarHBondContact O-CG 3.42Å; R67-K71 PolarHBondContact O-N 3.19Å; N68-K71 PolarHBondContact O-N 2.75Å; S69-K71 PolarHBondContact O-N 3.32Å; K71-S74 WeakPolarHBondContact O-CB 3.36Å; K71-S74 PolarHBondContact O-N 2.85Å; K71-N75 VanDerWaalsContact O-CG 3.3Å; K71-N75 PolarHBondContact O-N 3.45Å
72A95.8Very high96.3Very high41 Ų41107.2 Ų107.234%0.33951%0.511SS..Hα-helixtrans-63.5-42.3177.900000111.9N68 S69 N75 R76N68-A72 WeakPolarHBondContact O-CB 3.19Å; N68-A72 PolarHBondContact O-N 3.25Å; S69-A72 PolarHBondContact O-N 2.84Å; A72-N75 PolarHBondContact O-N 3.27Å; A72-R76 WeakPolarHBondContact O-CG 3.37Å; A72-R76 PolarHBondContact O-N 3.26Å
73S95.5Very high96.4Very high42 Ų42104.6 Ų104.629%0.29451%0.506SS..Hα-helixtrans-65.6-38.9174.658.90000112.5S69 V70 R76 L77S69-S73 PolarHBondContact O-N 2.95Å; S69-S73 PolarHBondContact O-OG 2.8Å; V70-S73 WeakPolarHBondContact CA-OG 3.13Å; V70-S73 PolarHBondContact O-N 2.8Å; V70-S73 PolarHBondContact O-OG 3.16Å; S73-R76 PolarHBondContact O-N 3.34Å; S73-L77 WeakPolarHBondContact O-CG 3.31Å; S73-L77 PolarHBondContact O-N 2.69Å
74S95.6Very high96.4Very high53 Ų53104.5 Ų104.537%0.37151%0.505SS..Hα-helixtrans-60.8-45.1174.9-175.10000111.7V70 K71 R76 L77 Q78V70-S74 VanDerWaalsContact O-CB 3.32Å; V70-S74 WeakPolarHBondContact O-CB 3.41Å; V70-S74 PolarHBondContact O-N 3.48Å; K71-S74 WeakPolarHBondContact O-CB 3.36Å; K71-S74 PolarHBondContact O-N 2.85Å; S74-R76 PolarHBondContact O-N 3.4Å; S74-L77 PolarHBondContact O-N 2.79Å; S74-Q78 WeakPolarHBondContact O-CG 3.38Å; S74-Q78 PolarHBondContact O-N 3.37Å
75N96.7Very high96.4Very high99 Ų99103.9 Ų103.953%0.52950%0.503SS..Hα-helixtrans-62.3-41.6176.5-70-11.3000112.1K71 A72 Q78 Q79K71-N75 VanDerWaalsContact O-CG 3.3Å; K71-N75 PolarHBondContact O-N 3.45Å; A72-N75 PolarHBondContact O-N 3.27Å; N75-Q78 PolarHBondContact O-N 2.99Å; N75-Q79 PolarHBondContact O-N 2.85Å
76R97Very high96.4Very high153 Ų153101.7 Ų101.758%0.57750%0.5SS*.Hα-helixtrans-61.2-44.2174.1-72.3-172.1-64.9-116.42.1111.8A72 S73 S74 Q78 Q79 V80A72-R76 WeakPolarHBondContact O-CG 3.37Å; A72-R76 PolarHBondContact O-N 3.26Å; S73-R76 PolarHBondContact O-N 3.34Å; S74-R76 PolarHBondContact O-N 3.4Å; R76-Q78 VanDerWaalsContact C-N 3.35Å; R76-Q78 PolarHBondContact O-N 3.28Å; R76-Q79 WeakPolarHBondContact O-CB 3.39Å; R76-Q79 PolarHBondContact O-N 2.77Å; R76-V80 WeakPolarHBondContact O-CG2 3.47Å; R76-V80 PolarHBondContact O-N 2.77Å
77L95.8Very high96.4Very high124 Ų124103.9 Ų103.965%0.64951%0.508SS*.Hα-helixtrans-62.9-40.3176.4-75.3171.9000112.1S73 S74 Q79 V80 R81S73-L77 WeakPolarHBondContact O-CG 3.31Å; S73-L77 PolarHBondContact O-N 2.69Å; S74-L77 PolarHBondContact O-N 2.79Å; L77-Q79 VanDerWaalsContact C-N 3.31Å; L77-Q79 PolarHBondContact O-N 3.36Å; L77-V80 PolarHBondContact O-N 3.05Å; L77-R81 WeakPolarHBondContact O-CB 3.43Å; L77-R81 PolarHBondContact O-N 3Å
78Q96.7Very high96.4Very high95 Ų95104.5 Ų104.544%0.44451%0.511SS..Hα-helixtrans-64-35.8174.6-73.2-176.5-700112.5S74 N75 R76 R82S74-Q78 WeakPolarHBondContact O-CG 3.38Å; S74-Q78 PolarHBondContact O-N 3.37Å; N75-Q78 PolarHBondContact O-N 2.99Å; R76-Q78 VanDerWaalsContact C-N 3.35Å; R76-Q78 PolarHBondContact O-N 3.28Å; Q78-R82 WeakPolarHBondContact O-CG 3.13Å; Q78-R82 PolarHBondContact O-N 3.39Å
79Q97.1Very high96.4Very high137 Ų137103.5 Ų103.564%0.6451%0.514SS*.Hα-helixtrans-68-43.7175.1-172.5174.211.500111.6N75 R76 L77 R81 R82 C83N75-Q79 PolarHBondContact O-N 2.85Å; R76-Q79 WeakPolarHBondContact O-CB 3.39Å; R76-Q79 PolarHBondContact O-N 2.77Å; L77-Q79 VanDerWaalsContact C-N 3.31Å; L77-Q79 PolarHBondContact O-N 3.36Å; Q79-R81 VanDerWaalsContact C-N 3.33Å; Q79-R81 PolarHBondContact O-N 3.24Å; Q79-R82 PolarHBondContact O-N 2.76Å; Q79-C83 WeakPolarHBondContact O-CB 3.14Å; Q79-C83 PolarHBondContact O-N 2.97Å
80V96.4Very high96.3Very high83 Ų83104.6 Ų104.650%0.50352%0.518SS..Hα-helixtrans-60.9-44.1174.3172.70000110.6R76 L77 R82 C83 L84R76-V80 WeakPolarHBondContact O-CG2 3.47Å; R76-V80 PolarHBondContact O-N 2.77Å; L77-V80 PolarHBondContact O-N 3.05Å; V80-R82 PolarHBondContact O-N 3.24Å; V80-C83 WeakPolarHBondContact O-CB 3.45Å; V80-C83 PolarHBondContact O-N 3.46Å; V80-L84 HydrophobicContact CG1-CD1 4.1Å; V80-L84 HydrophobicContact CG1-CG 4.39Å; V80-L84 WeakPolarHBondContact O-CG 3.38Å; V80-L84 PolarHBondContact O-N 2.95Å
81R97.2Very high96.1Very high166 Ų166104.6 Ų104.663%0.62651%0.513SS*.Hα-helixtrans-57.7-48.5176.3-179.3178.5174.4171.93.9111.9L77 Q79 C83 L84 E85L77-R81 WeakPolarHBondContact O-CB 3.43Å; L77-R81 PolarHBondContact O-N 3Å; Q79-R81 VanDerWaalsContact C-N 3.33Å; Q79-R81 PolarHBondContact O-N 3.24Å; R81-C83 VanDerWaalsContact C-N 3.32Å; R81-C83 PolarHBondContact O-N 2.71Å; R81-L84 PolarHBondContact O-N 3.29Å; R81-E85 WeakPolarHBondContact CG-OE1 3.41Å; R81-E85 IonicContact CZ-OE1 3.96Å; R81-E85 IonicContact NE-OE1 2.8Å; R81-E85 PolarHBondContact NE-OE1 3.24Å; R81-E85 IonicContact NH2-OE1 3.72Å; R81-E85 WeakPolarHBondContact O-CG 3.37Å; R81-E85 PolarHBondContact O-N 2.89Å
82R97.4Very high96.1Very high152 Ų152103.6 Ų103.657%0.57451%0.513SS*.Hα-helixtrans-59.9-41.1176.2-76.6-175.8-111.1172.3-7.2112.3Q78 Q79 V80 E85 Q86Q78-R82 WeakPolarHBondContact O-CG 3.13Å; Q78-R82 PolarHBondContact O-N 3.39Å; Q79-R82 PolarHBondContact O-N 2.76Å; V80-R82 PolarHBondContact O-N 3.24Å; R82-E85 PolarHBondContact O-N 3.37Å; R82-Q86 WeakPolarHBondContact O-CG 3.32Å; R82-Q86 PolarHBondContact O-N 2.88Å
83C97.1Very high96.1Very high58 Ų58110.6 Ų110.639%0.39253%0.53SS..Hα-helixtrans-63.3-41.3176.1-177.60000112Q79 V80 R81 Q86 K87Q79-C83 WeakPolarHBondContact O-CB 3.14Å; Q79-C83 PolarHBondContact O-N 2.97Å; V80-C83 WeakPolarHBondContact O-CB 3.45Å; V80-C83 PolarHBondContact O-N 3.46Å; R81-C83 VanDerWaalsContact C-N 3.32Å; R81-C83 PolarHBondContact O-N 2.71Å; C83-Q86 PolarHBondContact O-N 3.46Å; C83-K87 WeakPolarHBondContact O-CG 3.19Å; C83-K87 PolarHBondContact O-N 2.89Å
84L95.9Very high96Very high111 Ų111112.6 Ų112.658%0.58154%0.537SS*.Hα-helixtrans-66.9-41.2176.3-71.4174.7000112.3V80 R81 Q86 K87 R88V80-L84 HydrophobicContact CG1-CD1 4.1Å; V80-L84 HydrophobicContact CG1-CG 4.39Å; V80-L84 WeakPolarHBondContact O-CG 3.38Å; V80-L84 PolarHBondContact O-N 2.95Å; R81-L84 PolarHBondContact O-N 3.29Å; L84-Q86 VanDerWaalsContact C-N 3.33Å; L84-Q86 PolarHBondContact O-N 3.48Å; L84-K87 PolarHBondContact O-N 3.19Å; L84-R88 WeakPolarHBondContact O-CB 3.28Å; L84-R88 PolarHBondContact O-N 2.99Å
85E97.3Very high95.8Very high98 Ų98115.8 Ų115.846%0.45855%0.546SS..Hα-helixtrans-61.8-41.5175.5-73.3166.6-179.600111.2R81 R82 R88 A89R81-E85 WeakPolarHBondContact CG-OE1 3.41Å; R81-E85 IonicContact CZ-OE1 3.96Å; R81-E85 IonicContact NE-OE1 2.8Å; R81-E85 PolarHBondContact NE-OE1 3.24Å; R81-E85 IonicContact NH2-OE1 3.72Å; R81-E85 WeakPolarHBondContact O-CG 3.37Å; R81-E85 PolarHBondContact O-N 2.89Å; R82-E85 PolarHBondContact O-N 3.37Å; E85-R88 PolarHBondContact O-N 3.28Å; E85-A89 PolarHBondContact O-N 3.05Å; E85-A89 VanDerWaalsContact O-N 3.07Å
86Q96.6Very high95.6Very high138 Ų138115.9 Ų115.965%0.64555%0.55SS**Hα-helixtrans-62.7-45.8173.4-74.1174.2-12.200112.4R82 C83 L84 R88 A89 V90R82-Q86 WeakPolarHBondContact O-CG 3.32Å; R82-Q86 PolarHBondContact O-N 2.88Å; C83-Q86 PolarHBondContact O-N 3.46Å; L84-Q86 VanDerWaalsContact C-N 3.33Å; L84-Q86 PolarHBondContact O-N 3.48Å; Q86-R88 VanDerWaalsContact C-N 3.33Å; Q86-R88 PolarHBondContact O-N 3.45Å; Q86-A89 PolarHBondContact O-N 3.33Å; Q86-V90 WeakPolarHBondContact O-CG2 3.38Å; Q86-V90 PolarHBondContact O-N 3.3Å; Q86-V90 VanDerWaalsContact O-N 3.16Å
87K96.6Very high95.4Very high133 Ų133113.2 Ų113.258%0.57854%0.544SS*.Hα-helixtrans-63-40.5177.4-75.4-168.7176.9-1680111.9C83 L84 V90 I91C83-K87 WeakPolarHBondContact O-CG 3.19Å; C83-K87 PolarHBondContact O-N 2.89Å; L84-K87 PolarHBondContact O-N 3.19Å; K87-V90 PolarHBondContact O-N 2.93Å; K87-I91 WeakPolarHBondContact O-CG1 3.42Å; K87-I91 PolarHBondContact O-N 2.69Å
88R95.4Very high95.1Very high179 Ų179112.6 Ų112.668%0.67554%0.541SS*.Hα-helixtrans-60.3-45.7176.4-172.4173.2-175.7174.42.3111.6L84 E85 Q86 V90 I91 D92L84-R88 WeakPolarHBondContact O-CB 3.28Å; L84-R88 PolarHBondContact O-N 2.99Å; E85-R88 PolarHBondContact O-N 3.28Å; Q86-R88 VanDerWaalsContact C-N 3.33Å; Q86-R88 PolarHBondContact O-N 3.45Å; R88-V90 VanDerWaalsContact C-N 3.26Å; R88-V90 PolarHBondContact O-N 3.48Å; R88-I91 PolarHBondContact O-N 3.4Å; R88-I91 VanDerWaalsContact O-N 3.1Å; R88-D92 VanDerWaalsContact O-CG 3.26Å; R88-D92 PolarHBondContact O-N 3.09Å
89A95.3Very high94.7Very high59 Ų59111.9 Ų111.949%0.48854%0.537SS..Hα-helixtrans-61-34176.500000113.2E85 Q86 R93E85-A89 PolarHBondContact O-N 3.05Å; E85-A89 VanDerWaalsContact O-N 3.07Å; Q86-A89 PolarHBondContact O-N 3.33Å; A89-R93 WeakPolarHBondContact O-CB 3.25Å; A89-R93 PolarHBondContact O-N 2.91Å; A89-R93 VanDerWaalsContact O-N 3.13Å
90V95Very high94.3Very high87 Ų87114.7 Ų114.753%0.52754%0.542SS..Hα-helixtrans-69.1-42173.9174.30000111.3Q86 K87 R88 R93 L94Q86-V90 WeakPolarHBondContact O-CG2 3.38Å; Q86-V90 PolarHBondContact O-N 3.3Å; Q86-V90 VanDerWaalsContact O-N 3.16Å; K87-V90 PolarHBondContact O-N 2.93Å; R88-V90 VanDerWaalsContact C-N 3.26Å; R88-V90 PolarHBondContact O-N 3.48Å; V90-R93 PolarHBondContact O-N 2.61Å; V90-L94 HydrophobicContact CG1-CD1 4.05Å; V90-L94 HydrophobicContact CG1-CG 4.45Å; V90-L94 WeakPolarHBondContact O-CG 3.49Å; V90-L94 PolarHBondContact O-N 2.95Å
91I92.3Very high93.9Very high90 Ų90115.2 Ų115.246%0.46254%0.542SS..Hα-helixtrans-60.7-50.1176.2-66.6170.2000110K87 R88 R93 L94 E95K87-I91 WeakPolarHBondContact O-CG1 3.42Å; K87-I91 PolarHBondContact O-N 2.69Å; R88-I91 PolarHBondContact O-N 3.4Å; R88-I91 VanDerWaalsContact O-N 3.1Å; I91-R93 PolarHBondContact O-N 3.14Å; I91-L94 PolarHBondContact O-N 3.24Å; I91-E95 HydrophobicContact CG2-CG 4.31Å; I91-E95 WeakPolarHBondContact O-CG 3.31Å; I91-E95 PolarHBondContact O-N 3.49Å
92D94.5Very high93.3Very high78 Ų78114 Ų11442%0.41754%0.537SS..Hα-helixtrans-58.2-37.7179.4-61-18.8000111.3R88 V96R88-D92 VanDerWaalsContact O-CG 3.26Å; R88-D92 PolarHBondContact O-N 3.09Å; D92-V96 WeakPolarHBondContact O-CG2 3.26Å; D92-V96 PolarHBondContact O-N 3.46Å
93R95.9Very high92.7Very high188 Ų188110.3 Ų110.371%0.70953%0.532SS*.Hα-helixtrans-65.6-44.4174.8-178.2179.6175.8178.8-0.1112.3A89 V90 I91 V96 E97A89-R93 WeakPolarHBondContact O-CB 3.25Å; A89-R93 PolarHBondContact O-N 2.91Å; A89-R93 VanDerWaalsContact O-N 3.13Å; V90-R93 PolarHBondContact O-N 2.61Å; I91-R93 PolarHBondContact O-N 3.14Å; R93-V96 PolarHBondContact O-N 3.07Å; R93-E97 PolarHBondContact O-N 2.93Å; R93-E97 VanDerWaalsContact O-N 3.13Å
94L93.6Very high92Very high84 Ų84108.7 Ų108.744%0.4453%0.525SS..Hα-helixtrans-67.8-36.7179.8-72.7172.3000111.9V90 I91 V96 E97 I98V90-L94 HydrophobicContact CG1-CD1 4.05Å; V90-L94 HydrophobicContact CG1-CG 4.45Å; V90-L94 WeakPolarHBondContact O-CG 3.49Å; V90-L94 PolarHBondContact O-N 2.95Å; I91-L94 PolarHBondContact O-N 3.24Å; L94-V96 VanDerWaalsContact C-N 3.33Å; L94-V96 PolarHBondContact O-N 2.95Å; L94-E97 PolarHBondContact O-N 3.38Å; L94-I98 WeakPolarHBondContact O-CB 3.44Å; L94-I98 VanDerWaalsContact O-CG1 3.24Å; L94-I98 WeakPolarHBondContact O-CG1 3.34Å; L94-I98 PolarHBondContact O-N 2.85Å
95E91.7Very high91.3Very high120 Ų120109.5 Ų109.556%0.56153%0.525SS*.Hα-helixtrans-60.4-43.3175.7-73.8-179.6168.800111.6I91 E99I91-E95 HydrophobicContact CG2-CG 4.31Å; I91-E95 WeakPolarHBondContact O-CG 3.31Å; I91-E95 PolarHBondContact O-N 3.49Å; E95-E99 WeakPolarHBondContact O-CB 3.24Å; E95-E99 PolarHBondContact O-N 2.84Å
96V93.7Very high90.2Very high100 Ų100107.9 Ų107.961%0.60652%0.52SS*.Hα-helixtrans-65.6-38.5175.6174.80000111.7D92 R93 L94 R100D92-V96 WeakPolarHBondContact O-CG2 3.26Å; D92-V96 PolarHBondContact O-N 3.46Å; R93-V96 PolarHBondContact O-N 3.07Å; L94-V96 VanDerWaalsContact C-N 3.33Å; L94-V96 PolarHBondContact O-N 2.95Å; V96-R100 WeakPolarHBondContact O-CB 3.48Å; V96-R100 PolarHBondContact O-N 3.26Å
97E91.1Very high89.5Confident97 Ų97107.1 Ų107.145%0.45352%0.516SS..Hα-helixtrans-67.7-44.5178.4-167.7164.6-165.200111.8R93 L94 E99 R100 D101R93-E97 PolarHBondContact O-N 2.93Å; R93-E97 VanDerWaalsContact O-N 3.13Å; L94-E97 PolarHBondContact O-N 3.38Å; E97-E99 VanDerWaalsContact C-N 3.34Å; E97-E99 PolarHBondContact O-N 3.29Å; E97-R100 WeakPolarHBondContact O-CB 3.46Å; E97-R100 PolarHBondContact O-N 2.76Å; E97-D101 PolarHBondContact O-N 3.42Å
98I89.5Confident88.7Confident112 Ų112107.9 Ų107.957%0.57452%0.519SS*.Hα-helixtrans-60.3-44.1174.7-69.7165.6000110.9L94 R100 D101 R102L94-I98 WeakPolarHBondContact O-CB 3.44Å; L94-I98 VanDerWaalsContact O-CG1 3.24Å; L94-I98 WeakPolarHBondContact O-CG1 3.34Å; L94-I98 PolarHBondContact O-N 2.85Å; I98-R100 VanDerWaalsContact C-N 3.33Å; I98-R100 PolarHBondContact O-N 2.81Å; I98-D101 PolarHBondContact O-N 3.46Å; I98-R102 WeakPolarHBondContact O-CB 3.49Å; I98-R102 PolarHBondContact O-N 3.24Å
99E88.6Confident87.8Confident80 Ų80103.7 Ų103.737%0.37451%0.51SS..Hα-helixtrans-65.7-39.1178.5-173.956.1-147.800111.4E95 E97 R102 V103E95-E99 WeakPolarHBondContact O-CB 3.24Å; E95-E99 PolarHBondContact O-N 2.84Å; E97-E99 VanDerWaalsContact C-N 3.34Å; E97-E99 PolarHBondContact O-N 3.29Å; E99-R102 VanDerWaalsContact CD-NH2 3.31Å; E99-R102 PolarHBondContact O-N 2.93Å; E99-R102 IonicContact OE1-CZ 2.68Å; E99-R102 IonicContact OE1-NE 3.84Å; E99-R102 PolarHBondContact OE1-NE 3.06Å; E99-R102 IonicContact OE1-NH2 3.95Å; E99-R102 PolarHBondContact OE1-NH2 2.9Å; E99-R102 IonicContact OE2-CZ 3.62Å; E99-R102 VanDerWaalsContact OE2-CZ 3.24Å; E99-R102 IonicContact OE2-NE 3.68Å; E99-R102 PolarHBondContact OE2-NE 3.33Å; E99-R102 VanDerWaalsContact OE2-NE 3.07Å; E99-R102 IonicContact OE2-NH2 3.69Å; E99-R102 PolarHBondContact OE2-NH2 3.28Å; E99-R102 VanDerWaalsContact OE2-NH2 3.14Å; E99-V103 WeakPolarHBondContact O-CG2 3.46Å; E99-V103 PolarHBondContact O-N 3.45Å
100R90Very high86.8Confident196 Ų196108.7 Ų108.774%0.7452%0.516SS*.Hα-helixtrans-63.3-44.1175.6-166.5-176.3-141.8155.35.9112V96 E97 I98 V103 G104V96-R100 WeakPolarHBondContact O-CB 3.48Å; V96-R100 PolarHBondContact O-N 3.26Å; E97-R100 WeakPolarHBondContact O-CB 3.46Å; E97-R100 PolarHBondContact O-N 2.76Å; I98-R100 VanDerWaalsContact C-N 3.33Å; I98-R100 PolarHBondContact O-N 2.81Å; R100-V103 PolarHBondContact O-N 3.34Å; R100-G104 PolarHBondContact O-N 3.42Å
101D87.7Confident86Confident93 Ų93109.5 Ų109.550%0.49752%0.518SS..Hα-helixtrans-65-41.6176.6-76.6-12.5000111.1E97 I98 V103 G104 H105E97-D101 PolarHBondContact O-N 3.42Å; I98-D101 PolarHBondContact O-N 3.46Å; D101-V103 PolarHBondContact O-N 3.16Å; D101-G104 PolarHBondContact O-N 3.28Å; D101-H105 WeakPolarHBondContact O-CB 3.25Å; D101-H105 PolarHBondContact O-CD2 3.28Å; D101-H105 PolarHBondContact O-N 3.45Å
102R84.1Confident84.9Confident140 Ų140111.6 Ų111.653%0.52852%0.521SS..Hα-helixtrans-57.9-49.6175.4-171.8-179.777.5147.92.5111.6I98 E99 G104 H105 D106I98-R102 WeakPolarHBondContact O-CB 3.49Å; I98-R102 PolarHBondContact O-N 3.24Å; E99-R102 VanDerWaalsContact CD-NH2 3.31Å; E99-R102 PolarHBondContact O-N 2.93Å; E99-R102 IonicContact OE1-CZ 2.68Å; E99-R102 IonicContact OE1-NE 3.84Å; E99-R102 PolarHBondContact OE1-NE 3.06Å; E99-R102 IonicContact OE1-NH2 3.95Å; E99-R102 PolarHBondContact OE1-NH2 2.9Å; E99-R102 IonicContact OE2-CZ 3.62Å; E99-R102 VanDerWaalsContact OE2-CZ 3.24Å; E99-R102 IonicContact OE2-NE 3.68Å; E99-R102 PolarHBondContact OE2-NE 3.33Å; E99-R102 VanDerWaalsContact OE2-NE 3.07Å; E99-R102 IonicContact OE2-NH2 3.69Å; E99-R102 PolarHBondContact OE2-NH2 3.28Å; E99-R102 VanDerWaalsContact OE2-NH2 3.14Å; R102-G104 VanDerWaalsContact C-N 3.35Å; R102-G104 PolarHBondContact O-N 3.01Å; R102-H105 PolarHBondContact O-N 3.06Å; R102-D106 PolarHBondContact O-N 2.76Å
103V85.5Confident83.8Confident76 Ų76112.5 Ų112.546%0.46153%0.525SS..Hα-helixtrans-62.7-42.5177.9173.80000111E99 R100 D101 H105 D106 E107E99-V103 WeakPolarHBondContact O-CG2 3.46Å; E99-V103 PolarHBondContact O-N 3.45Å; R100-V103 PolarHBondContact O-N 3.34Å; D101-V103 PolarHBondContact O-N 3.16Å; V103-H105 VanDerWaalsContact C-N 3.35Å; V103-H105 PolarHBondContact O-N 3Å; V103-D106 PolarHBondContact O-N 3.33Å; V103-E107 WeakPolarHBondContact O-CB 3.25Å; V103-E107 PolarHBondContact O-N 3.44Å
104G81.7Confident82.5Confident24 Ų24105.7 Ų105.725%0.24751%0.508CS..Hα-helixtrans-64.3-36.5176.600000113.5R100 D101 R102 K108R100-G104 PolarHBondContact O-N 3.42Å; D101-G104 PolarHBondContact O-N 3.28Å; R102-G104 VanDerWaalsContact C-N 3.35Å; R102-G104 PolarHBondContact O-N 3.01Å; G104-K108 VanDerWaalsContact O-CG 3.31Å; G104-K108 WeakPolarHBondContact O-CG 3.48Å; G104-K108 PolarHBondContact O-N 2.81Å; G104-K108 VanDerWaalsContact O-N 3.13Å
105H80.7Confident81.5Confident128 Ų128107.5 Ų107.559%0.59351%0.514SS*.Hα-helixtrans-67.9-43.1173.1-84.2-67.8000112.1D101 R102 V103 K108 L109D101-H105 WeakPolarHBondContact O-CB 3.25Å; D101-H105 PolarHBondContact O-CD2 3.28Å; D101-H105 PolarHBondContact O-N 3.45Å; R102-H105 PolarHBondContact O-N 3.06Å; V103-H105 VanDerWaalsContact C-N 3.35Å; V103-H105 PolarHBondContact O-N 3Å; H105-K108 PolarHBondContact O-N 3.16Å; H105-L109 VanDerWaalsContact O-CB 3.26Å; H105-L109 WeakPolarHBondContact O-CB 3.18Å; H105-L109 PolarHBondContact O-N 2.84Å
106D75.7Confident80.3Confident63 Ų63108.9 Ų108.934%0.33751%0.514SS..Hα-helixtrans-63-40.9176.6-84-6.5000112.1R102 V103 L109 R110R102-D106 PolarHBondContact O-N 2.76Å; V103-D106 PolarHBondContact O-N 3.33Å; D106-L109 PolarHBondContact O-N 2.79Å; D106-R110 WeakPolarHBondContact O-CB 3.3Å; D106-R110 VanDerWaalsContact O-CG 3.24Å; D106-R110 WeakPolarHBondContact O-CG 3.44Å; D106-R110 PolarHBondContact O-N 2.89Å; D106-R110 IonicContact OD2-NH2 3.75Å
107E81.2Confident78.4Confident123 Ų123111.4 Ų111.458%0.57551%0.514SS*.Hα-helixtrans-64.1-48.8176.4-170.4175.6-167.700111.2V103 L109 R110 D111V103-E107 WeakPolarHBondContact O-CB 3.25Å; V103-E107 PolarHBondContact O-N 3.44Å; E107-L109 VanDerWaalsContact C-N 3.28Å; E107-L109 PolarHBondContact O-N 3.34Å; E107-R110 WeakPolarHBondContact O-CB 3.04Å; E107-R110 PolarHBondContact O-N 3.27Å; E107-D111 PolarHBondContact O-N 3.45Å
108K79.9Confident77Confident148 Ų148114.1 Ų114.164%0.64352%0.524SS*.Hα-helixtrans-58.6-39.5174.1-73.7174.1-176.8172.80112.2G104 H105 Y112G104-K108 VanDerWaalsContact O-CG 3.31Å; G104-K108 WeakPolarHBondContact O-CG 3.48Å; G104-K108 PolarHBondContact O-N 2.81Å; G104-K108 VanDerWaalsContact O-N 3.13Å; H105-K108 PolarHBondContact O-N 3.16Å; K108-Y112 VanDerWaalsContact O-CB 3.29Å; K108-Y112 WeakPolarHBondContact O-CB 3.32Å; K108-Y112 PolarHBondContact O-N 3.08Å
109L76.9Confident75.7Confident91 Ų91115.7 Ų115.748%0.47652%0.523SS..Hα-helixtrans-67.4-43.5177.3-179.161.5000111.2H105 D106 E107 Y112 I113H105-L109 VanDerWaalsContact O-CB 3.26Å; H105-L109 WeakPolarHBondContact O-CB 3.18Å; H105-L109 PolarHBondContact O-N 2.84Å; D106-L109 PolarHBondContact O-N 2.79Å; E107-L109 VanDerWaalsContact C-N 3.28Å; E107-L109 PolarHBondContact O-N 3.34Å; L109-Y112 PolarHBondContact O-N 3.49Å; L109-I113 HydrophobicContact CD1-CD1 4.03Å; L109-I113 HydrophobicContact CD1-CG1 4.27Å; L109-I113 HydrophobicContact CG-CD1 3.87Å; L109-I113 WeakPolarHBondContact O-CB 3.34Å; L109-I113 VanDerWaalsContact O-CG1 3.23Å; L109-I113 WeakPolarHBondContact O-CG1 3.17Å; L109-I113 PolarHBondContact O-N 2.88Å
110R73.5Confident73.9Confident165 Ų165114.9 Ų114.962%0.62353%0.526SS*.Hα-helixtrans-59.7-46174.6-75.5174.4-140.5-94.4-1.2111.2D106 E107 I113 A114D106-R110 WeakPolarHBondContact O-CB 3.3Å; D106-R110 VanDerWaalsContact O-CG 3.24Å; D106-R110 WeakPolarHBondContact O-CG 3.44Å; D106-R110 PolarHBondContact O-N 2.89Å; D106-R110 IonicContact OD2-NH2 3.75Å; E107-R110 WeakPolarHBondContact O-CB 3.04Å; E107-R110 PolarHBondContact O-N 3.27Å; R110-I113 PolarHBondContact O-N 3.35Å; R110-A114 VanDerWaalsContact O-CB 3.26Å; R110-A114 WeakPolarHBondContact O-CB 3.26Å; R110-A114 PolarHBondContact O-N 2.92Å
111D77.7Confident72Confident104 Ų104113.1 Ų113.156%0.55652%0.52SS*.Hα-helixtrans-64.3-41.8177.1-81.4-13000112.1E107 A114 H115E107-D111 PolarHBondContact O-N 3.45Å; D111-A114 PolarHBondContact O-N 3.11Å; D111-H115 WeakPolarHBondContact O-CB 3.27Å; D111-H115 PolarHBondContact O-N 3.42Å
112Y70.6Confident70.3Confident133 Ų133115.7 Ų115.752%0.52253%0.527SS..Hα-helixtrans-61.6-45.6174.6176.3-101.7000111.7K108 L109 R116K108-Y112 VanDerWaalsContact O-CB 3.29Å; K108-Y112 WeakPolarHBondContact O-CB 3.32Å; K108-Y112 PolarHBondContact O-N 3.08Å; L109-Y112 PolarHBondContact O-N 3.49Å; Y112-R116 WeakPolarHBondContact O-CB 3.46Å; Y112-R116 PolarHBondContact O-N 2.73Å; Y112-R116 PolarHBondContact OH-NH1 3.01Å
113I69.8Low68.8Low98 Ų98116 Ų11650%0.50353%0.528SS..Hα-helixtrans-63.5-46.3176.3-68.4167.2000110.2L109 R110 H115 R116 Y117L109-I113 HydrophobicContact CD1-CD1 4.03Å; L109-I113 HydrophobicContact CD1-CG1 4.27Å; L109-I113 HydrophobicContact CG-CD1 3.87Å; L109-I113 WeakPolarHBondContact O-CB 3.34Å; L109-I113 VanDerWaalsContact O-CG1 3.23Å; L109-I113 WeakPolarHBondContact O-CG1 3.17Å; L109-I113 PolarHBondContact O-N 2.88Å; R110-I113 PolarHBondContact O-N 3.35Å; I113-H115 PolarHBondContact O-N 2.75Å; I113-R116 PolarHBondContact O-N 3.06Å; I113-Y117 VanDerWaalsContact O-CB 3.24Å; I113-Y117 WeakPolarHBondContact O-CB 3.38Å; I113-Y117 PolarHBondContact O-N 2.86Å
114A69.6Low66.9Low44 Ų44115.7 Ų115.736%0.36452%0.52SS..Hα-helixtrans-62.8-43.6179.400000111.8R110 D111 Y117 K118R110-A114 VanDerWaalsContact O-CB 3.26Å; R110-A114 WeakPolarHBondContact O-CB 3.26Å; R110-A114 PolarHBondContact O-N 2.92Å; D111-A114 PolarHBondContact O-N 3.11Å; A114-Y117 PolarHBondContact O-N 3.5Å; A114-K118 WeakPolarHBondContact O-CB 3.35Å; A114-K118 WeakPolarHBondContact O-CG 3.36Å; A114-K118 PolarHBondContact O-N 3.26Å
115H72.9Confident65.3Low123 Ų123121.1 Ų121.157%0.56954%0.537SS*.Hα-helixtrans-65.9-43.8175.9-176.6-98000111.6D111 I113 Y117 K118 R119D111-H115 WeakPolarHBondContact O-CB 3.27Å; D111-H115 PolarHBondContact O-N 3.42Å; I113-H115 PolarHBondContact O-N 2.75Å; H115-Y117 VanDerWaalsContact C-N 3.34Å; H115-Y117 PolarHBondContact O-N 3.23Å; H115-K118 PolarHBondContact O-N 2.77Å; H115-R119 WeakPolarHBondContact O-CB 3.49Å; H115-R119 PolarHBondContact O-N 3.49Å
116R65.2Low63.8Low148 Ų148117.4 Ų117.456%0.55853%0.526SS*.Hα-helixtrans-63.8-39.5175.5-171.6174.3-178.894.71.5111.5Y112 I113 S120Y112-R116 WeakPolarHBondContact O-CB 3.46Å; Y112-R116 PolarHBondContact O-N 2.73Å; Y112-R116 PolarHBondContact OH-NH1 3.01Å; I113-R116 PolarHBondContact O-N 3.06Å; R116-S120 WeakPolarHBondContact O-CB 3.44Å; R116-S120 PolarHBondContact O-N 2.94Å; R116-S120 PolarHBondContact O-OG 2.87Å
117Y55.4Low62.7Low153 Ų153121.5 Ų121.560%0.654%0.536SS*.Hα-helixtrans-68.1-45.8176.6-167.2-102.6000111.3I113 A114 H115 R119 S120 R121I113-Y117 VanDerWaalsContact O-CB 3.24Å; I113-Y117 WeakPolarHBondContact O-CB 3.38Å; I113-Y117 PolarHBondContact O-N 2.86Å; A114-Y117 PolarHBondContact O-N 3.5Å; H115-Y117 VanDerWaalsContact C-N 3.34Å; H115-Y117 PolarHBondContact O-N 3.23Å; Y117-R119 PolarHBondContact O-N 2.84Å; Y117-S120 PolarHBondContact O-N 3.13Å; Y117-R121 WeakPolarHBondContact O-CB 3.28Å; Y117-R121 PolarHBondContact O-N 3.47Å
118K61.9Low61.1Low154 Ų154119 Ų11967%0.6752%0.524SS*.Hα-helixtrans-58.2-47.7173.6-78.1179.2-178.5176.40111.8A114 H115 R121 F122A114-K118 WeakPolarHBondContact O-CB 3.35Å; A114-K118 WeakPolarHBondContact O-CG 3.36Å; A114-K118 PolarHBondContact O-N 3.26Å; H115-K118 PolarHBondContact O-N 2.77Å; K118-R121 PolarHBondContact O-N 2.91Å; K118-F122 WeakPolarHBondContact O-CB 3.34Å; K118-F122 PolarHBondContact O-N 2.77Å
119R62.1Low59.6Low145 Ų145113.4 Ų113.455%0.54750%0.503SS..Hα-helixtrans-65.5-39.9179.5-167.6173.8-174.3172.32.7112.2H115 Y117 R123H115-R119 WeakPolarHBondContact O-CB 3.49Å; H115-R119 PolarHBondContact O-N 3.49Å; Y117-R119 PolarHBondContact O-N 2.84Å; R119-R123 PolarHBondContact O-N 2.89Å; R119-R123 VanDerWaalsContact O-N 3.16Å
120S49.4Very low58.7Low64 Ų64112.3 Ų112.345%0.44850%0.5SS..Hα-helixtrans-69.9-43176.8-57.70000111.3R116 Y117 R123 F124R116-S120 WeakPolarHBondContact O-CB 3.44Å; R116-S120 PolarHBondContact O-N 2.94Å; R116-S120 PolarHBondContact O-OG 2.87Å; Y117-S120 PolarHBondContact O-N 3.13Å; S120-R123 PolarHBondContact O-N 2.89Å; S120-F124 WeakPolarHBondContact O-CB 3.2Å; S120-F124 PolarHBondContact O-N 3.23Å
121R50.1Low57.6Low159 Ų159107.8 Ų107.860%0.649%0.485SS*.Hα-helixtrans-64.4-41.1176.7-175.4178.3168.2106.9-3.2111.9Y117 K118 F124 F125Y117-R121 WeakPolarHBondContact O-CB 3.28Å; Y117-R121 PolarHBondContact O-N 3.47Å; K118-R121 PolarHBondContact O-N 2.91Å; R121-F124 PolarHBondContact O-N 2.89Å; R121-F125 WeakPolarHBondContact O-CB 3.48Å; R121-F125 PolarHBondContact O-N 3.04Å
122F51.6Low56.4Low146 Ų146107.4 Ų107.464%0.6448%0.48SS*.Hα-helixtrans-64.7-50.2176.2-175.6-96.1000111.6K118 F124 F125 C126K118-F122 WeakPolarHBondContact O-CB 3.34Å; K118-F122 PolarHBondContact O-N 2.77Å; F122-F124 VanDerWaalsContact C-N 3.26Å; F122-F124 PolarHBondContact O-N 3.27Å; F122-F125 PolarHBondContact O-N 3.05Å; F122-C126 PolarHBondContact O-N 3.34Å; F122-C126 PolarHBondContact O-SG 2.88Å
123R53.1Low55.4Low147 Ų147109.3 Ų109.356%0.55549%0.486SS*.Hα-helixtrans-59.9-38174.6-80.3-179.2171.2170.4-3.9112R119 S120 R127R119-R123 PolarHBondContact O-N 2.89Å; R119-R123 VanDerWaalsContact O-N 3.16Å; S120-R123 PolarHBondContact O-N 2.89Å; R123-R127 WeakPolarHBondContact O-CB 3.42Å; R123-R127 WeakPolarHBondContact O-CG 3.34Å; R123-R127 PolarHBondContact O-N 3.01Å
124F45.7Very low54.7Low69 Ų69112.9 Ų112.930%0.30349%0.493SS..Hα-helixtrans-65.5-49.1175.7179.9-105000111.4S120 R121 F122 C126 R127 F128 L197S120-F124 WeakPolarHBondContact O-CB 3.2Å; S120-F124 PolarHBondContact O-N 3.23Å; R121-F124 PolarHBondContact O-N 2.89Å; F122-F124 VanDerWaalsContact C-N 3.26Å; F122-F124 PolarHBondContact O-N 3.27Å; F124-C126 VanDerWaalsContact C-N 3.34Å; F124-C126 PolarHBondContact O-N 2.98Å; F124-R127 CarbonylContact O-C 3.5Å; F124-R127 PolarHBondContact O-N 2.78Å; F124-F128 HydrophobicContact CD1-CB 4.47Å; F124-F128 HydrophobicContact CE1-CB 4.16Å; F124-F128 HydrophobicContact CE1-CD2 4.31Å; F124-F128 HydrophobicContact CE1-CG 4.31Å; F124-F128 HydrophobicContact CE2-CB 4.42Å; F124-F128 HydrophobicContact CE2-CD2 4.49Å; F124-F128 HydrophobicContact CZ-CB 4.15Å; F124-F128 AromaticContact CZ-CD2 3.84Å; F124-F128 HydrophobicContact CZ-CD2 3.84Å; F124-F128 HydrophobicContact CZ-CG 4.23Å; F124-F128 WeakPolarHBondContact O-CA 3.18Å; F124-F128 WeakPolarHBondContact O-CB 2.88Å; F124-F128 PolarHBondContact O-N 2.86Å; F124-L197 HydrophobicContact CD2-CD1 3.65Å; F124-L197 HydrophobicContact CD2-CD2 3.5Å; F124-L197 VanDerWaalsContact CD2-CD2 3.5Å; F124-L197 HydrophobicContact CD2-CG 4.17Å; F124-L197 HydrophobicContact CE2-CB 4.4Å; F124-L197 HydrophobicContact CE2-CD1 3.74Å; F124-L197 HydrophobicContact CE2-CD2 3.16Å; F124-L197 HydrophobicContact CE2-CG 3.91Å; F124-L197 HydrophobicContact CZ-CD2 3.93Å
125F48.6Very low53.7Low138 Ų138112.3 Ų112.361%0.60549%0.486SS*.Hα-helixtrans-61-42.2179.6-171.7-95.5000111.7R121 F122 S129R121-F125 WeakPolarHBondContact O-CB 3.48Å; R121-F125 PolarHBondContact O-N 3.04Å; F122-F125 PolarHBondContact O-N 3.05Å; F125-S129 VanDerWaalsContact O-CB 3.31Å; F125-S129 WeakPolarHBondContact O-CB 3.13Å; F125-S129 PolarHBondContact O-N 2.96Å; F125-S129 PolarHBondContact O-OG 2.77Å
126C49.4Very low52.7Low51 Ų51109.2 Ų109.235%0.34548%0.478SS..Hα-helixtrans-62.6-48.6174.3-68.60000111.7F122 F124 S129 T130F122-C126 PolarHBondContact O-N 3.34Å; F122-C126 PolarHBondContact O-SG 2.88Å; F124-C126 VanDerWaalsContact C-N 3.34Å; F124-C126 PolarHBondContact O-N 2.98Å; C126-S129 PolarHBondContact O-OG 2.87Å; C126-T130 PolarHBondContact O-N 3.43Å; C126-T130 VanDerWaalsContact O-N 3.1Å; C126-T130 PolarHBondContact O-OG1 2.88Å
127R52.6Low52.2Low149 Ų149104.6 Ų104.656%0.56247%0.472SS*.Hα-helixtrans-65.5-40.8178.1-77.5-178.4174.5169.2-4112.4R123 F124 T130 F131 V189R123-R127 WeakPolarHBondContact O-CB 3.42Å; R123-R127 WeakPolarHBondContact O-CG 3.34Å; R123-R127 PolarHBondContact O-N 3.01Å; F124-R127 CarbonylContact O-C 3.5Å; F124-R127 PolarHBondContact O-N 2.78Å; R127-T130 PolarHBondContact O-N 2.94Å; R127-F131 VanDerWaalsContact O-CB 3.24Å; R127-F131 WeakPolarHBondContact O-CB 3.14Å; R127-F131 PolarHBondContact O-N 3.19Å; R127-V189 VanDerWaalsContact NH1-CG2 3.3Å
128F46.6Very low52.3Low71 Ų71101.8 Ų101.831%0.31147%0.467SS..Hα-helixtrans-65.3-45.6177.6-177.1-94.7000110.9F124 T130 F131 H132 F201F124-F128 HydrophobicContact CD1-CB 4.47Å; F124-F128 HydrophobicContact CE1-CB 4.16Å; F124-F128 HydrophobicContact CE1-CD2 4.31Å; F124-F128 HydrophobicContact CE1-CG 4.31Å; F124-F128 HydrophobicContact CE2-CB 4.42Å; F124-F128 HydrophobicContact CE2-CD2 4.49Å; F124-F128 HydrophobicContact CZ-CB 4.15Å; F124-F128 AromaticContact CZ-CD2 3.84Å; F124-F128 HydrophobicContact CZ-CD2 3.84Å; F124-F128 HydrophobicContact CZ-CG 4.23Å; F124-F128 WeakPolarHBondContact O-CA 3.18Å; F124-F128 WeakPolarHBondContact O-CB 2.88Å; F124-F128 PolarHBondContact O-N 2.86Å; F128-T130 VanDerWaalsContact C-N 3.26Å; F128-T130 PolarHBondContact O-N 3.43Å; F128-F131 PolarHBondContact O-N 3.47Å; F128-H132 HydrophobicContact CE1-CB 4.38Å; F128-H132 WeakPolarHBondContact O-CB 3.18Å; F128-H132 PolarHBondContact O-N 3.11Å; F128-F201 HydrophobicContact CE2-CD2 4.26Å
129S49.1Very low51.8Low30 Ų3097.8 Ų97.821%0.2146%0.458CS..Hα-helixtrans-63.1-34.6176.374.80000112.3F125 C126 R133F125-S129 VanDerWaalsContact O-CB 3.31Å; F125-S129 WeakPolarHBondContact O-CB 3.13Å; F125-S129 PolarHBondContact O-N 2.96Å; F125-S129 PolarHBondContact O-OG 2.77Å; C126-S129 PolarHBondContact O-OG 2.87Å; S129-R133 WeakPolarHBondContact O-CB 3.49Å; S129-R133 VanDerWaalsContact O-CG 3.3Å; S129-R133 WeakPolarHBondContact O-CG 3.2Å; S129-R133 PolarHBondContact O-N 2.7Å; S129-R133 VanDerWaalsContact O-N 3.1Å; S129-R133 PolarHBondContact O-NE 3.18Å
130T57.1Low51.8Low67 Ų6793.9 Ų93.941%0.41145%0.452SS..Hα-helixtrans-72.2-42.1176.2-48.80000110.8C126 R127 F128 R134C126-T130 PolarHBondContact O-N 3.43Å; C126-T130 VanDerWaalsContact O-N 3.1Å; C126-T130 PolarHBondContact O-OG1 2.88Å; R127-T130 PolarHBondContact O-N 2.94Å; F128-T130 VanDerWaalsContact C-N 3.26Å; F128-T130 PolarHBondContact O-N 3.43Å; T130-R134 WeakPolarHBondContact O-CG 3.27Å; T130-R134 PolarHBondContact O-N 3.39Å; T130-R134 VanDerWaalsContact O-N 3.08Å
131F52.1Low52.1Low71 Ų7195.7 Ų95.731%0.31146%0.457SS..Hα-helixtrans-66.3-48.4176.6179.9-102.1000111.7R127 F128 R133 R134 C135 L184 F201R127-F131 VanDerWaalsContact O-CB 3.24Å; R127-F131 WeakPolarHBondContact O-CB 3.14Å; R127-F131 PolarHBondContact O-N 3.19Å; F128-F131 PolarHBondContact O-N 3.47Å; F131-R133 VanDerWaalsContact C-N 3.32Å; F131-R133 PolarHBondContact O-N 3.14Å; F131-R134 CarbonylContact O-C 3.55Å; F131-R134 WeakPolarHBondContact O-CA 3.26Å; F131-R134 WeakPolarHBondContact O-CB 3.27Å; F131-R134 PolarHBondContact O-N 2.9Å; F131-C135 WeakPolarHBondContact CE1-SG 3.48Å; F131-C135 WeakPolarHBondContact CZ-SG 3.39Å; F131-C135 PolarHBondContact O-N 2.99Å; F131-L184 HydrophobicContact CE2-CD1 4.26Å; F131-F201 HydrophobicContact CD1-CE2 4.39Å; F131-F201 HydrophobicContact CE1-CD1 4.38Å; F131-F201 AromaticContact CE1-CD2 3.94Å; F131-F201 HydrophobicContact CE1-CD2 3.94Å; F131-F201 HydrophobicContact CE1-CE1 4.22Å; F131-F201 AromaticContact CE1-CE2 3.76Å; F131-F201 HydrophobicContact CE1-CE2 3.76Å; F131-F201 HydrophobicContact CE1-CG 4.25Å; F131-F201 AromaticContact CE1-CZ 3.91Å; F131-F201 HydrophobicContact CE1-CZ 3.91Å
132H51Low52.3Low95 Ų9593.8 Ų93.844%0.4445%0.449SS..Hα-helixtrans-56.3-45.7175.3-175.2-78.6000110.8F128 R134 C135 S136F128-H132 HydrophobicContact CE1-CB 4.38Å; F128-H132 WeakPolarHBondContact O-CB 3.18Å; F128-H132 PolarHBondContact O-N 3.11Å; H132-R134 VanDerWaalsContact C-N 3.33Å; H132-R134 PolarHBondContact O-N 3.38Å; H132-C135 PolarHBondContact O-N 3.49Å; H132-S136 PolarHBondContact CE1-OG 3.37Å; H132-S136 WeakPolarHBondContact O-CB 3.13Å; H132-S136 PolarHBondContact O-N 3.16Å; H132-S136 PolarHBondContact O-OG 2.97Å; H132-S136 VanDerWaalsContact O-OG 3.05Å
133R50.8Low52.7Low174 Ų17493.7 Ų93.766%0.65745%0.451SS*.Hα-helixtrans-58.5-42.5173.8-81-173.9-105.2-157.7-4.3112.6S129 F131 A137S129-R133 WeakPolarHBondContact O-CB 3.49Å; S129-R133 VanDerWaalsContact O-CG 3.3Å; S129-R133 WeakPolarHBondContact O-CG 3.2Å; S129-R133 PolarHBondContact O-N 2.7Å; S129-R133 VanDerWaalsContact O-N 3.1Å; S129-R133 PolarHBondContact O-NE 3.18Å; F131-R133 VanDerWaalsContact C-N 3.32Å; F131-R133 PolarHBondContact O-N 3.14Å; R133-A137 WeakPolarHBondContact O-CB 3.26Å; R133-A137 PolarHBondContact O-N 3.14Å
134R55.4Low53Low172 Ų17291.9 Ų91.965%0.64945%0.449SS*.Hα-helixtrans-66.6-41.5175.6-72.7177.6179.6-176.3-0.7112.4T130 F131 H132 A137 L138T130-R134 WeakPolarHBondContact O-CG 3.27Å; T130-R134 PolarHBondContact O-N 3.39Å; T130-R134 VanDerWaalsContact O-N 3.08Å; F131-R134 CarbonylContact O-C 3.55Å; F131-R134 WeakPolarHBondContact O-CA 3.26Å; F131-R134 WeakPolarHBondContact O-CB 3.27Å; F131-R134 PolarHBondContact O-N 2.9Å; H132-R134 VanDerWaalsContact C-N 3.33Å; H132-R134 PolarHBondContact O-N 3.38Å; R134-A137 PolarHBondContact O-N 3.26Å; R134-L138 WeakPolarHBondContact O-CB 3.14Å; R134-L138 WeakPolarHBondContact O-CG 3.15Å; R134-L138 PolarHBondContact O-N 2.83Å
135C47.3Very low53.9Low32 Ų3293.3 Ų93.322%0.21646%0.459CS..Hα-helixtrans-64.9-45.8176.4-75.90000111.6F131 H132 A137 L138 S139F131-C135 WeakPolarHBondContact CE1-SG 3.48Å; F131-C135 WeakPolarHBondContact CZ-SG 3.39Å; F131-C135 PolarHBondContact O-N 2.99Å; H132-C135 PolarHBondContact O-N 3.49Å; C135-A137 VanDerWaalsContact C-N 3.31Å; C135-A137 PolarHBondContact O-N 2.95Å; C135-L138 PolarHBondContact O-N 3.21Å; C135-S139 WeakPolarHBondContact O-CB 3.23Å; C135-S139 PolarHBondContact O-N 3.39Å; C135-S139 PolarHBondContact O-OG 3.46Å; C135-S139 VanDerWaalsContact O-OG 3.12Å
136S51.2Low54.6Low58 Ų5891 Ų9141%0.40646%0.456SS..Hα-helixtrans-60.2-41.9175-58.60000111.6H132 S139 C140H132-S136 PolarHBondContact CE1-OG 3.37Å; H132-S136 WeakPolarHBondContact O-CB 3.13Å; H132-S136 PolarHBondContact O-N 3.16Å; H132-S136 PolarHBondContact O-OG 2.97Å; H132-S136 VanDerWaalsContact O-OG 3.05Å; S136-S139 PolarHBondContact O-N 2.9Å; S136-C140 WeakPolarHBondContact O-CB 3.5Å; S136-C140 PolarHBondContact O-N 2.84Å
137A56.7Low55.3Low52 Ų5296.5 Ų96.543%0.4347%0.47SS..Hα-helixtrans-64.1-41.9174.700000112.4R133 R134 C135 C140 L141R133-A137 WeakPolarHBondContact O-CB 3.26Å; R133-A137 PolarHBondContact O-N 3.14Å; R134-A137 PolarHBondContact O-N 3.26Å; C135-A137 VanDerWaalsContact C-N 3.31Å; C135-A137 PolarHBondContact O-N 2.95Å; A137-C140 PolarHBondContact O-N 3.44Å; A137-L141 WeakPolarHBondContact O-CG 3.39Å; A137-L141 PolarHBondContact O-N 3.2Å
138L57.2Low55.6Low93 Ų9392.4 Ų92.449%0.48746%0.461SS..Hα-helixtrans-66.7-40.7176.2-80.5164.2000112.4R134 C135 C140 L141 R142R134-L138 WeakPolarHBondContact O-CB 3.14Å; R134-L138 WeakPolarHBondContact O-CG 3.15Å; R134-L138 PolarHBondContact O-N 2.83Å; C135-L138 PolarHBondContact O-N 3.21Å; L138-C140 VanDerWaalsContact C-N 3.33Å; L138-L141 PolarHBondContact O-N 3.49Å; L138-R142 VanDerWaalsContact O-CB 3.26Å; L138-R142 WeakPolarHBondContact O-CB 3.4Å; L138-R142 PolarHBondContact O-N 2.91Å
139S51.3Low56.3Low70 Ų7092.9 Ų92.949%0.4947%0.467SS..Hα-helixtrans-61.3-43.7174.2-65.40000110.7C135 S136 R142 E143C135-S139 WeakPolarHBondContact O-CB 3.23Å; C135-S139 PolarHBondContact O-N 3.39Å; C135-S139 PolarHBondContact O-OG 3.46Å; C135-S139 VanDerWaalsContact O-OG 3.12Å; S136-S139 PolarHBondContact O-N 2.9Å; S139-R142 PolarHBondContact O-N 3.39Å; S139-E143 WeakPolarHBondContact O-CG 3.25Å; S139-E143 PolarHBondContact O-N 2.64Å
140C60.8Low57Low63 Ų6393.7 Ų93.743%0.42648%0.475SS..Hα-helixtrans-61.2-47.6174.8-176.40000112S136 A137 L138 R142 E143 Q144S136-C140 WeakPolarHBondContact O-CB 3.5Å; S136-C140 PolarHBondContact O-N 2.84Å; A137-C140 PolarHBondContact O-N 3.44Å; L138-C140 VanDerWaalsContact C-N 3.33Å; C140-R142 VanDerWaalsContact C-N 3.26Å; C140-R142 PolarHBondContact O-N 3.09Å; C140-E143 PolarHBondContact O-N 3.05Å; C140-Q144 WeakPolarHBondContact O-CG 3.33Å; C140-Q144 PolarHBondContact O-N 3.47Å
141L56.5Low57.6Low103 Ų10394.2 Ų94.254%0.53947%0.473SS..Hα-helixtrans-61.9-34.5174.9-75.1169.3000112.3A137 L138 Q144 L145A137-L141 WeakPolarHBondContact O-CG 3.39Å; A137-L141 PolarHBondContact O-N 3.2Å; L138-L141 PolarHBondContact O-N 3.49Å; L141-Q144 WeakPolarHBondContact O-CB 3.45Å; L141-Q144 PolarHBondContact O-N 3.02Å; L141-L145 WeakPolarHBondContact O-CB 3.47Å; L141-L145 PolarHBondContact O-N 3.26Å
142R55Low58.4Low118 Ų11895.3 Ų95.345%0.44548%0.482SS..Hα-helixtrans-72.1-41.1178.5-167.9179.2-175.4-158.61111.5L138 S139 C140 Q144 L145 V146L138-R142 VanDerWaalsContact O-CB 3.26Å; L138-R142 WeakPolarHBondContact O-CB 3.4Å; L138-R142 PolarHBondContact O-N 2.91Å; S139-R142 PolarHBondContact O-N 3.39Å; C140-R142 VanDerWaalsContact C-N 3.26Å; C140-R142 PolarHBondContact O-N 3.09Å; R142-Q144 VanDerWaalsContact C-N 3.3Å; R142-L145 PolarHBondContact O-N 3.21Å; R142-V146 VanDerWaalsContact O-CG2 3.32Å; R142-V146 WeakPolarHBondContact O-CG2 3.47Å; R142-V146 PolarHBondContact O-N 3.42Å
143E59.2Low59.2Low144 Ų14494.1 Ų94.167%0.67348%0.481SS*.Hα-helixtrans-60.4-43171.9-76.2179-176.300110.9S139 C140 L145 V146 W147S139-E143 WeakPolarHBondContact O-CG 3.25Å; S139-E143 PolarHBondContact O-N 2.64Å; C140-E143 PolarHBondContact O-N 3.05Å; E143-L145 VanDerWaalsContact C-N 3.35Å; E143-L145 PolarHBondContact O-N 2.86Å; E143-V146 PolarHBondContact O-N 3.48Å; E143-W147 WeakPolarHBondContact O-CB 3.26Å; E143-W147 PolarHBondContact O-N 3.28Å
144Q59.3Low60.3Low109 Ų10990.6 Ų90.651%0.50948%0.475SS..Hα-helixtrans-59.4-44.4172.1-71.6176.2-9.200111.6C140 L141 R142 W147 V148C140-Q144 WeakPolarHBondContact O-CG 3.33Å; C140-Q144 PolarHBondContact O-N 3.47Å; L141-Q144 WeakPolarHBondContact O-CB 3.45Å; L141-Q144 PolarHBondContact O-N 3.02Å; R142-Q144 VanDerWaalsContact C-N 3.3Å; Q144-W147 PolarHBondContact O-N 3.19Å; Q144-V148 WeakPolarHBondContact O-CB 3.43Å; Q144-V148 VanDerWaalsContact O-CG2 3.26Å; Q144-V148 WeakPolarHBondContact O-CG2 3.31Å; Q144-V148 PolarHBondContact O-N 3.45Å
145L63.9Low60.9Low99 Ų9989.7 Ų89.752%0.51847%0.472SS..Hα-helixtrans-67.1-38.9178.4-173.668.4000112.6L141 R142 E143 W147 V148 N149L141-L145 WeakPolarHBondContact O-CB 3.47Å; L141-L145 PolarHBondContact O-N 3.26Å; R142-L145 PolarHBondContact O-N 3.21Å; E143-L145 VanDerWaalsContact C-N 3.35Å; E143-L145 PolarHBondContact O-N 2.86Å; L145-W147 VanDerWaalsContact C-N 3.33Å; L145-V148 PolarHBondContact O-N 3.33Å; L145-N149 VanDerWaalsContact O-CB 3.26Å; L145-N149 WeakPolarHBondContact O-CB 3.32Å; L145-N149 PolarHBondContact O-N 2.69Å; L145-N149 PolarHBondContact O-ND2 2.76Å
146V63.4Low61.7Low90 Ų9095 Ų9555%0.54549%0.487SS..Hα-helixtrans-64.2-42.7174.9169.90000109.9R142 E143 N149 A150R142-V146 VanDerWaalsContact O-CG2 3.32Å; R142-V146 WeakPolarHBondContact O-CG2 3.47Å; R142-V146 PolarHBondContact O-N 3.42Å; E143-V146 PolarHBondContact O-N 3.48Å; V146-N149 PolarHBondContact O-N 2.81Å; V146-A150 WeakPolarHBondContact O-CB 3.36Å; V146-A150 PolarHBondContact O-N 3.35Å
147W65.4Low62.2Low166 Ų16697.3 Ų97.363%0.62949%0.49SS*.Hα-helixtrans-61.3-48.5174.7-174.990.5000111.4E143 Q144 L145 N149 A150 Q151E143-W147 WeakPolarHBondContact O-CB 3.26Å; E143-W147 PolarHBondContact O-N 3.28Å; Q144-W147 PolarHBondContact O-N 3.19Å; L145-W147 VanDerWaalsContact C-N 3.33Å; W147-N149 VanDerWaalsContact C-N 3.35Å; W147-N149 PolarHBondContact O-N 2.84Å; W147-A150 WeakPolarHBondContact O-CB 3.48Å; W147-A150 PolarHBondContact O-N 2.8Å; W147-Q151 HydrophobicContact CD2-CG 4.1Å; W147-Q151 HydrophobicContact CE3-CG 4.08Å; W147-Q151 HydrophobicContact CH2-CG 3.99Å; W147-Q151 HydrophobicContact CZ2-CG 4Å; W147-Q151 HydrophobicContact CZ3-CG 4.03Å; W147-Q151 WeakPolarHBondContact O-CG 3.37Å; W147-Q151 PolarHBondContact O-N 2.98Å
148V58.7Low62.7Low63 Ų63100.3 Ų100.338%0.38250%0.495SS..Hα-helixtrans-60.5-44.5175.8170.80000110.9Q144 L145 A150 Q151 L152Q144-V148 WeakPolarHBondContact O-CB 3.43Å; Q144-V148 VanDerWaalsContact O-CG2 3.26Å; Q144-V148 WeakPolarHBondContact O-CG2 3.31Å; Q144-V148 PolarHBondContact O-N 3.45Å; L145-V148 PolarHBondContact O-N 3.33Å; V148-A150 PolarHBondContact O-N 3.07Å; V148-Q151 PolarHBondContact O-N 3.43Å; V148-L152 HydrophobicContact CG1-CD1 4Å; V148-L152 HydrophobicContact CG1-CG 4.31Å; V148-L152 WeakPolarHBondContact O-CB 3.31Å; V148-L152 VanDerWaalsContact O-CG 3.31Å; V148-L152 WeakPolarHBondContact O-CG 3.33Å; V148-L152 PolarHBondContact O-N 2.94Å
149N60.3Low62.8Low82 Ų82102.9 Ų102.944%0.43951%0.506SS..Hα-helixtrans-62.7-43.7177.3-84.7-34.9000111L145 V146 W147 Q151 L152 T153L145-N149 VanDerWaalsContact O-CB 3.26Å; L145-N149 WeakPolarHBondContact O-CB 3.32Å; L145-N149 PolarHBondContact O-N 2.69Å; L145-N149 PolarHBondContact O-ND2 2.76Å; V146-N149 PolarHBondContact O-N 2.81Å; W147-N149 VanDerWaalsContact C-N 3.35Å; W147-N149 PolarHBondContact O-N 2.84Å; N149-Q151 VanDerWaalsContact C-N 3.33Å; N149-Q151 PolarHBondContact O-N 3.18Å; N149-L152 CarbonylContact O-C 3.51Å; N149-L152 PolarHBondContact O-N 3.47Å; N149-T153 PolarHBondContact O-N 3.42Å; N149-T153 PolarHBondContact O-OG1 2.83Å
150A64.3Low62.9Low46 Ų46102.5 Ų102.538%0.3850%0.501SS..Hα-helixtrans-58.6-44.9175.300000111.3V146 W147 V148 T153 L154V146-A150 WeakPolarHBondContact O-CB 3.36Å; V146-A150 PolarHBondContact O-N 3.35Å; W147-A150 WeakPolarHBondContact O-CB 3.48Å; W147-A150 PolarHBondContact O-N 2.8Å; V148-A150 PolarHBondContact O-N 3.07Å; A150-T153 PolarHBondContact O-N 3.46Å; A150-T153 VanDerWaalsContact O-N 3.1Å; A150-L154 WeakPolarHBondContact O-CG 3.45Å; A150-L154 PolarHBondContact O-N 3.34Å
151Q70.7Confident62.5Low78 Ų78106.2 Ų106.236%0.36452%0.517SS..Hα-helixtrans-61.4-44.7174.5-68-58.2-34.500112W147 V148 N149 T153 L154 R155W147-Q151 HydrophobicContact CD2-CG 4.1Å; W147-Q151 HydrophobicContact CE3-CG 4.08Å; W147-Q151 HydrophobicContact CH2-CG 3.99Å; W147-Q151 HydrophobicContact CZ2-CG 4Å; W147-Q151 HydrophobicContact CZ3-CG 4.03Å; W147-Q151 WeakPolarHBondContact O-CG 3.37Å; W147-Q151 PolarHBondContact O-N 2.98Å; V148-Q151 PolarHBondContact O-N 3.43Å; N149-Q151 VanDerWaalsContact C-N 3.33Å; N149-Q151 PolarHBondContact O-N 3.18Å; Q151-T153 VanDerWaalsContact C-N 3.25Å; Q151-T153 PolarHBondContact O-N 2.94Å; Q151-L154 PolarHBondContact O-N 3Å; Q151-R155 WeakPolarHBondContact O-CB 3.49Å; Q151-R155 WeakPolarHBondContact O-CG 3.49Å; Q151-R155 PolarHBondContact O-N 3.41Å
152L67.4Low62.2Low94 Ų94112.1 Ų112.149%0.49253%0.532SS..Hα-helixtrans-62.8-32.5173.5-70.7173000112V148 N149 R156V148-L152 HydrophobicContact CG1-CD1 4Å; V148-L152 HydrophobicContact CG1-CG 4.31Å; V148-L152 WeakPolarHBondContact O-CB 3.31Å; V148-L152 VanDerWaalsContact O-CG 3.31Å; V148-L152 WeakPolarHBondContact O-CG 3.33Å; V148-L152 PolarHBondContact O-N 2.94Å; N149-L152 CarbonylContact O-C 3.51Å; N149-L152 PolarHBondContact O-N 3.47Å; L152-R156 WeakPolarHBondContact O-CB 3.4Å; L152-R156 PolarHBondContact O-N 3.08Å
153T69.4Low61.5Low70 Ų70111.9 Ų111.943%0.42954%0.543SS..Hα-helixtrans-74.7-37.9178.5-28.50000110.6N149 A150 Q151 R156 K157N149-T153 PolarHBondContact O-N 3.42Å; N149-T153 PolarHBondContact O-OG1 2.83Å; A150-T153 PolarHBondContact O-N 3.46Å; A150-T153 VanDerWaalsContact O-N 3.1Å; Q151-T153 VanDerWaalsContact C-N 3.25Å; Q151-T153 PolarHBondContact O-N 2.94Å; T153-R156 PolarHBondContact O-N 3.04Å; T153-K157 WeakPolarHBondContact O-CB 3.36Å; T153-K157 WeakPolarHBondContact O-CG 3.38Å; T153-K157 PolarHBondContact O-N 3.2Å
154L73.1Confident60.6Low101 Ų101108 Ų10853%0.52954%0.541SS..Hα-helixtrans-64.6-46.7172.3-70.2173.1000111A150 Q151 R156 K157 E158A150-L154 WeakPolarHBondContact O-CG 3.45Å; A150-L154 PolarHBondContact O-N 3.34Å; Q151-L154 PolarHBondContact O-N 3Å; L154-R156 VanDerWaalsContact C-N 3.34Å; L154-R156 PolarHBondContact O-N 3.32Å; L154-K157 CarbonylContact O-C 3.51Å; L154-K157 WeakPolarHBondContact O-CB 3.05Å; L154-K157 PolarHBondContact O-N 2.82Å; L154-E158 WeakPolarHBondContact O-CB 3.31Å; L154-E158 PolarHBondContact O-N 2.84Å
155R66.9Low59.7Low152 Ų152111.6 Ų111.657%0.57456%0.558SS**Hα-helixtrans-62.7-39.4174.5-72.6-62.1-169-171.64112.5Q151 E158 M159Q151-R155 WeakPolarHBondContact O-CB 3.49Å; Q151-R155 WeakPolarHBondContact O-CG 3.49Å; Q151-R155 PolarHBondContact O-N 3.41Å; R155-E158 WeakPolarHBondContact CD-OE2 3.36Å; R155-E158 IonicContact CZ-OE2 3.74Å; R155-E158 IonicContact NE-OE2 3.99Å; R155-E158 IonicContact NH1-OE1 3.87Å; R155-E158 IonicContact NH1-OE2 2.77Å; R155-E158 PolarHBondContact NH1-OE2 3.03Å; R155-E158 PolarHBondContact O-N 2.81Å; R155-M159 WeakPolarHBondContact O-CG 3.35Å; R155-M159 PolarHBondContact O-N 2.87Å
156R64.9Low58.5Low143 Ų143114.3 Ų114.354%0.5457%0.572SS.*Hα-helixtrans-63.2-44.8173.1-172.8-178.6-61.4175.11.7110.5L152 T153 L154 E158 M159 T160L152-R156 WeakPolarHBondContact O-CB 3.4Å; L152-R156 PolarHBondContact O-N 3.08Å; T153-R156 PolarHBondContact O-N 3.04Å; L154-R156 VanDerWaalsContact C-N 3.34Å; L154-R156 PolarHBondContact O-N 3.32Å; R156-E158 VanDerWaalsContact C-N 3.31Å; R156-E158 PolarHBondContact O-N 3.46Å; R156-M159 CarbonylContact O-C 3.58Å; R156-M159 PolarHBondContact O-N 3.05Å; R156-T160 HydrophobicContact CG-CG2 4.01Å; R156-T160 WeakPolarHBondContact O-CB 3.2Å; R156-T160 VanDerWaalsContact O-CG2 3.27Å; R156-T160 WeakPolarHBondContact O-CG2 3.34Å; R156-T160 PolarHBondContact O-N 2.86Å; R156-T160 PolarHBondContact O-OG1 3.32Å
157K61.8Low57.2Low108 Ų108118.5 Ų118.547%0.4758%0.583SS.*Hα-helixtrans-60.8-39.1174.1-78.2-178.9177.3-174.50112.3T153 L154 M159 T160 N161T153-K157 WeakPolarHBondContact O-CB 3.36Å; T153-K157 WeakPolarHBondContact O-CG 3.38Å; T153-K157 PolarHBondContact O-N 3.2Å; L154-K157 CarbonylContact O-C 3.51Å; L154-K157 WeakPolarHBondContact O-CB 3.05Å; L154-K157 PolarHBondContact O-N 2.82Å; K157-M159 VanDerWaalsContact C-N 3.35Å; K157-T160 VanDerWaalsContact CA-OG1 3.31Å; K157-T160 WeakPolarHBondContact CA-OG1 3.47Å; K157-T160 CarbonylContact O-C 3.59Å; K157-T160 PolarHBondContact O-N 3.26Å; K157-T160 PolarHBondContact O-OG1 2.96Å; K157-N161 VanDerWaalsContact O-CB 3.31Å; K157-N161 WeakPolarHBondContact O-CB 3.49Å; K157-N161 PolarHBondContact O-N 3.25Å; K157-N161 PolarHBondContact O-OD1 2.79Å
158E68.1Low55.9Low114 Ų114115.9 Ų115.953%0.53359%0.585SS.*Hα-helixtrans-65.2-38.1175.6-160.9173.7-160.600111.6L154 R155 R156L154-E158 WeakPolarHBondContact O-CB 3.31Å; L154-E158 PolarHBondContact O-N 2.84Å; R155-E158 WeakPolarHBondContact CD-OE2 3.36Å; R155-E158 IonicContact CZ-OE2 3.74Å; R155-E158 IonicContact NE-OE2 3.99Å; R155-E158 IonicContact NH1-OE1 3.87Å; R155-E158 IonicContact NH1-OE2 2.77Å; R155-E158 PolarHBondContact NH1-OE2 3.03Å; R155-E158 PolarHBondContact O-N 2.81Å; R156-E158 VanDerWaalsContact C-N 3.31Å; R156-E158 PolarHBondContact O-N 3.46Å
159M59.1Low54.8Low147 Ų147119.4 Ų119.472%0.72461%0.606SS**Hα-helixtrans-73.4-39.4171.9-71.6-169.8-175.500113.2R155 R156 K157 R162R155-M159 WeakPolarHBondContact O-CG 3.35Å; R155-M159 PolarHBondContact O-N 2.87Å; R156-M159 CarbonylContact O-C 3.58Å; R156-M159 PolarHBondContact O-N 3.05Å; K157-M159 VanDerWaalsContact C-N 3.35Å; M159-R162 WeakPolarHBondContact O-CB 3.21Å; M159-R162 PolarHBondContact O-N 3.33Å
160T53.3Low53.5Low62 Ų62123 Ų12338%0.3862%0.621SS.*Hα-helixtrans-82.8-10.9-179.961.80000112.6R156 K157 R162 V163R156-T160 HydrophobicContact CG-CG2 4.01Å; R156-T160 WeakPolarHBondContact O-CB 3.2Å; R156-T160 VanDerWaalsContact O-CG2 3.27Å; R156-T160 WeakPolarHBondContact O-CG2 3.34Å; R156-T160 PolarHBondContact O-N 2.86Å; R156-T160 PolarHBondContact O-OG1 3.32Å; K157-T160 VanDerWaalsContact CA-OG1 3.31Å; K157-T160 WeakPolarHBondContact CA-OG1 3.47Å; K157-T160 CarbonylContact O-C 3.59Å; K157-T160 PolarHBondContact O-N 3.26Å; K157-T160 PolarHBondContact O-OG1 2.96Å; T160-R162 PolarHBondContact O-N 3.48Å; T160-R162 VanDerWaalsContact O-N 3.1Å; T160-V163 CarbonylContact O-C 3.54Å; T160-V163 WeakPolarHBondContact O-CA 3.37Å; T160-V163 PolarHBondContact O-N 2.7Å
161N52.2Low51.9Low141 Ų141130 Ų13075%0.75464%0.637SS**THydrogen-bonded Turntrans-64.5-7161.9-78.5-7.7000111.4K157K157-N161 VanDerWaalsContact O-CB 3.31Å; K157-N161 WeakPolarHBondContact O-CB 3.49Å; K157-N161 PolarHBondContact O-N 3.25Å; K157-N161 PolarHBondContact O-OD1 2.79Å
162R50.4Low50Low227 Ų227134.6 Ų134.686%0.85766%0.661SS**THydrogen-bonded Turntrans-92.9-9.5163.9-60.6-174.3170.1-176.5-3.5114.5M159 T160M159-R162 WeakPolarHBondContact O-CB 3.21Å; M159-R162 PolarHBondContact O-N 3.33Å; T160-R162 PolarHBondContact O-N 3.48Å; T160-R162 VanDerWaalsContact O-N 3.1Å
163V39.7Very low48.4Very low114 Ų114134.1 Ų134.169%0.69167%0.67SS**SBendtrans-144.890.2175.6-173.60000108.3T160T160-V163 CarbonylContact O-C 3.54Å; T160-V163 WeakPolarHBondContact O-CA 3.37Å; T160-V163 PolarHBondContact O-N 2.7Å
164G40.4Very low46.7Very low61 Ų61135.9 Ų135.963%0.62968%0.681SS**  trans-56.4151.6-171.900000115
165E40.3Very low44.9Very low186 Ų186136 Ų13687%0.86969%0.686SS**  trans41.4104.3152-61.6-172.7159.900117.1
166I38Very low43.6Very low155 Ų155134 Ų13480%0.79570%0.695SS**  trans175.9130.5137.4-86.5147.7000107.2
167F36.2Very low42.4Very low179 Ų179133.3 Ų133.379%0.78570%0.701SS**  trans83.376179-69.3-80000119.9
168V39.4Very low41.2Very low110 Ų110132 Ų13267%0.66770%0.699SS**  trans-121.3-11.9159.3178.40000114.7
169V35.7Very low39.7Very low138 Ų138129.3 Ų129.384%0.83669%0.691SS**SBendtrans-85.9-22.8-173.5-174.40000114.6R171V169-R171 PolarHBondContact O-N 3.42Å
170Q32.6Very low38.7Very low157 Ų157129.1 Ų129.173%0.73469%0.687SS**THydrogen-bonded Turntrans-79.4-16.8-173.9-152.888.2-5.300114.9
171R31.2Very low37.7Very low192 Ų192134.7 Ų134.773%0.72571%0.706SS**THydrogen-bonded Turntrans-94.6-7.7-166.2-140.7176.2-176.6144.81.4115.7V169V169-R171 PolarHBondContact O-N 3.42Å
172M30.4Very low36.6Very low176 Ų176137.7 Ų137.787%0.86771%0.707SS**SBendtrans-85.5-14.3178.3-76.3-165.9165.200114.2
173A34.1Very low35.8Very low83 Ų83132.9 Ų132.969%0.68670%0.697SS**SBendtrans-85.9-21.8-177.900000114.4
174T33Very low35.6Very low108 Ų108131.4 Ų131.466%0.66368%0.684SS**THydrogen-bonded Turntrans-92.7-1.6-17650.30000114.7
175V35.2Very low35.2Very low103 Ų103134.3 Ų134.362%0.62469%0.69SS**THydrogen-bonded Turntrans-83.4-11.4179.2-179.50000112.9
176S40.2Very low34.7Very low111 Ų111131.6 Ų131.678%0.77669%0.686SS**SBendtrans-92.6-9.7-175.3-155.20000115.1
177I39.3Very low34.4Very low127 Ų127129 Ų12965%0.65168%0.677SS**SBendtrans-134.554.6-177.4-41.5177000111.8
178D36.1Very low34.4Very low81 Ų81127.3 Ų127.343%0.43368%0.681SS.*  trans178.9130.2148.1-127.8-15.4000108.8R182D178-R182 IonicContact OD2-NE 3.79Å
179P37.4Very low34.2Very low57 Ų57123.9 Ų123.937%0.3766%0.66SS.*SBend-146.129.261.738.5-16.2000114.8F181P179-F181 PolarHBondContact O-N 3.45Å
180F37.7Very low34.6Very low143 Ų143123.2 Ų123.263%0.62765%0.652SS**THydrogen-bonded Turntrans-66.7-21.6171.9-83.3-82.8000112.3
181F32.2Very low35.3Very low179 Ų179122.1 Ų122.179%0.78565%0.651SS**THydrogen-bonded Turntrans-82.3-31-175.9-113.5-92.2000113.8P179P179-F181 PolarHBondContact O-N 3.45Å
182R30.2Very low36Very low204 Ų204122.7 Ų122.777%0.7765%0.653SS**THydrogen-bonded Turntrans-87.5-26.4-170.5-78.8-173.6176.1-143.9-3.3116.2D178D178-R182 IonicContact OD2-NE 3.79Å
183I32.7Very low36.7Very low127 Ų127117.8 Ų117.865%0.65163%0.633SS**THydrogen-bonded Turntrans-86.7-4.5-170.4-69.4176.5000114.1
184L35.7Very low37.4Very low82 Ų82116.8 Ų116.843%0.42961%0.611SS.*THydrogen-bonded Turntrans-117.533.4-171.9-148.677.1000115.7F131 F198F131-L184 HydrophobicContact CE2-CD1 4.26Å; L184-F198 HydrophobicContact CD2-CB 4.36Å; L184-F198 HydrophobicContact CD2-CD2 3.27Å; L184-F198 HydrophobicContact CD2-CE2 3.8Å; L184-F198 HydrophobicContact CD2-CG 4.09Å
185V31.8Very low38.2Very low123 Ų123116 Ų11675%0.74560%0.602SS**SBendtrans-96.3-13.8172.4177.20000113.1
186V29.5Very low38.8Very low128 Ų128113.7 Ų113.778%0.77659%0.589SS**  trans-116.5103.5-173-170.90000110.9
187V32.7Very low39.3Very low102 Ų102111.7 Ų111.762%0.61857%0.569SS**SBendtrans-175.2160.4137.4166.20000105R194V187-R194 VanDerWaalsContact CB-NH2 3.25Å; V187-R194 VanDerWaalsContact CG1-NH2 3.31Å; V187-R194 PolarHBondContact O-NE 2.73Å; V187-R194 PolarHBondContact O-NH1 3.44Å; V187-R194 PolarHBondContact O-NH2 2.98Å
188V35.2Very low40Very low143 Ų143108.4 Ų108.487%0.86755%0.55SS**  trans-94.7106-176.2177.80000110.1
189V35.1Very low40.8Very low38 Ų38104.6 Ų104.623%0.2353%0.53CS..SBendtrans-153.6130.8162.6-177.90000106.4R127 D191 R194R127-V189 VanDerWaalsContact NH1-CG2 3.3Å; V189-D191 PolarHBondContact O-N 3.36Å; V189-R194 HydrophobicContact CB-CG 4.29Å; V189-R194 WeakPolarHBondContact O-CD 3.37Å; V189-R194 WeakPolarHBondContact O-CG 3.41Å; V189-R194 PolarHBondContact O-NE 3.24Å
190D43.8Very low41.6Very low124 Ų124106.7 Ų106.766%0.66353%0.533SS*.  trans-14.7111.7172.4-131.7-55000114.2R192 V193 R194D190-R192 PolarHBondContact O-N 3.16Å; D190-V193 HydrophobicContact CB-CG2 4.32Å; D190-V193 PolarHBondContact O-N 3.24Å; D190-R194 PolarHBondContact O-N 3.47Å
191D47.1Very low42.3Very low133 Ų133101.9 Ų101.971%0.71151%0.512SS*.Hα-helixtrans-53.6-32.5-168.3-71.8-32.5000112.9V189 R194 L195V189-D191 PolarHBondContact O-N 3.36Å; D191-R194 PolarHBondContact O-N 3.04Å; D191-L195 WeakPolarHBondContact O-CB 3.45Å; D191-L195 PolarHBondContact O-N 3.38Å
192R46Very low43.3Very low205 Ų20595.4 Ų95.477%0.77448%0.484SS*.Hα-helixtrans-65.8-45.4178.2-63.6-171.1-178.1-168.82.1112.2D190 R194 L195 T196D190-R192 PolarHBondContact O-N 3.16Å; R192-R194 VanDerWaalsContact C-N 3.34Å; R192-L195 PolarHBondContact O-N 2.89Å; R192-T196 PolarHBondContact O-N 3.41Å; R192-T196 PolarHBondContact O-OG1 3.07Å
193V46.8Very low44.7Very low72 Ų7286.7 Ų86.744%0.43645%0.453SS..Hα-helixtrans-66.6-40.4179.6-179.90000109.9D190 T196 L197D190-V193 HydrophobicContact CB-CG2 4.32Å; D190-V193 PolarHBondContact O-N 3.24Å; V193-T196 PolarHBondContact O-N 3.27Å; V193-L197 HydrophobicContact CG1-CD1 3.85Å; V193-L197 HydrophobicContact CG1-CG 4.09Å; V193-L197 VanDerWaalsContact O-CB 3.3Å; V193-L197 WeakPolarHBondContact O-CB 3.3Å; V193-L197 WeakPolarHBondContact O-CG 3.43Å; V193-L197 PolarHBondContact O-N 3.12Å
194R47.6Very low45.6Very low62 Ų6283.2 Ų83.223%0.23444%0.439CS..Hα-helixtrans-61.1-48.4174.6-76.6177.5-178.4-107.5-27.2112.5V187 V189 D190 D191 R192 T196 L197 F198V187-R194 VanDerWaalsContact CB-NH2 3.25Å; V187-R194 VanDerWaalsContact CG1-NH2 3.31Å; V187-R194 PolarHBondContact O-NE 2.73Å; V187-R194 PolarHBondContact O-NH1 3.44Å; V187-R194 PolarHBondContact O-NH2 2.98Å; V189-R194 HydrophobicContact CB-CG 4.29Å; V189-R194 WeakPolarHBondContact O-CD 3.37Å; V189-R194 WeakPolarHBondContact O-CG 3.41Å; V189-R194 PolarHBondContact O-NE 3.24Å; D190-R194 PolarHBondContact O-N 3.47Å; D191-R194 PolarHBondContact O-N 3.04Å; R192-R194 VanDerWaalsContact C-N 3.34Å; R194-T196 VanDerWaalsContact C-N 3.33Å; R194-T196 PolarHBondContact O-N 3.2Å; R194-L197 PolarHBondContact O-N 3.48Å; R194-F198 WeakPolarHBondContact O-CB 3.5Å; R194-F198 PolarHBondContact O-N 3.01Å
195L50.4Low46.3Very low91 Ų9181.5 Ų81.548%0.47643%0.432SS..Hα-helixtrans-60-48.7179.9-170.170.2000109.3D191 R192 L197 F198 L199D191-L195 WeakPolarHBondContact O-CB 3.45Å; D191-L195 PolarHBondContact O-N 3.38Å; R192-L195 PolarHBondContact O-N 2.89Å; L195-L197 PolarHBondContact O-N 3.19Å; L195-F198 PolarHBondContact O-N 3.4Å; L195-L199 HydrophobicContact CD1-CD1 4.44Å; L195-L199 HydrophobicContact CD2-CD1 4.47Å; L195-L199 HydrophobicContact CG-CD1 3.83Å; L195-L199 HydrophobicContact CG-CG 4.39Å; L195-L199 VanDerWaalsContact O-CB 3.26Å; L195-L199 WeakPolarHBondContact O-CB 3.48Å; L195-L199 WeakPolarHBondContact O-CD1 3.39Å; L195-L199 WeakPolarHBondContact O-CG 3.5Å; L195-L199 PolarHBondContact O-N 2.85Å
196T48Very low47.4Very low55 Ų5576.4 Ų76.434%0.33740%0.4SS..Hα-helixtrans-59.7-44.5176.4-53.80000112.4R192 V193 R194 L199 F200R192-T196 PolarHBondContact O-N 3.41Å; R192-T196 PolarHBondContact O-OG1 3.07Å; V193-T196 PolarHBondContact O-N 3.27Å; R194-T196 VanDerWaalsContact C-N 3.33Å; R194-T196 PolarHBondContact O-N 3.2Å; T196-L199 PolarHBondContact O-N 3.32Å; T196-F200 VanDerWaalsContact O-CB 3.28Å; T196-F200 WeakPolarHBondContact O-CB 3.45Å; T196-F200 PolarHBondContact O-N 2.84Å
197L49.1Very low48.6Very low69 Ų6971.1 Ų71.136%0.36137%0.368SS..Hα-helixtrans-69.2-36.9179.3-70.2-177.6000113F124 V193 R194 L195 F200 F201F124-L197 HydrophobicContact CD2-CD1 3.65Å; F124-L197 HydrophobicContact CD2-CD2 3.5Å; F124-L197 VanDerWaalsContact CD2-CD2 3.5Å; F124-L197 HydrophobicContact CD2-CG 4.17Å; F124-L197 HydrophobicContact CE2-CB 4.4Å; F124-L197 HydrophobicContact CE2-CD1 3.74Å; F124-L197 HydrophobicContact CE2-CD2 3.16Å; F124-L197 HydrophobicContact CE2-CG 3.91Å; F124-L197 HydrophobicContact CZ-CD2 3.93Å; V193-L197 HydrophobicContact CG1-CD1 3.85Å; V193-L197 HydrophobicContact CG1-CG 4.09Å; V193-L197 VanDerWaalsContact O-CB 3.3Å; V193-L197 WeakPolarHBondContact O-CB 3.3Å; V193-L197 WeakPolarHBondContact O-CG 3.43Å; V193-L197 PolarHBondContact O-N 3.12Å; R194-L197 PolarHBondContact O-N 3.48Å; L195-L197 PolarHBondContact O-N 3.19Å; L197-F200 PolarHBondContact O-N 3.03Å; L197-F201 WeakPolarHBondContact O-CB 3.42Å; L197-F201 PolarHBondContact O-N 2.91Å
198F54Low49.4Very low58 Ų5869.4 Ų69.425%0.25436%0.36SS..Hα-helixtrans-66.1-44.8174.5176.7-102.2000110.7L184 R194 L195 F200 F201 Q202L184-F198 HydrophobicContact CD2-CB 4.36Å; L184-F198 HydrophobicContact CD2-CD2 3.27Å; L184-F198 HydrophobicContact CD2-CE2 3.8Å; L184-F198 HydrophobicContact CD2-CG 4.09Å; R194-F198 WeakPolarHBondContact O-CB 3.5Å; R194-F198 PolarHBondContact O-N 3.01Å; L195-F198 PolarHBondContact O-N 3.4Å; F198-F200 VanDerWaalsContact C-N 3.33Å; F198-F201 PolarHBondContact O-N 2.89Å; F198-Q202 HydrophobicContact CD1-CG 4.34Å; F198-Q202 VanDerWaalsContact CE1-CD 3.49Å; F198-Q202 HydrophobicContact CE1-CG 3.95Å; F198-Q202 HydrophobicContact CE2-CG 4.48Å; F198-Q202 HydrophobicContact CZ-CG 4.04Å; F198-Q202 WeakPolarHBondContact O-CG 3.3Å; F198-Q202 PolarHBondContact O-N 3.03Å
199L54.6Low50Low2 Ų266.4 Ų66.41%0.0134%0.336CS..Hα-helixtrans-63.8-40.4174.7-68.4166.6000111.3L195 T196 Q202 L203 V267 R270 I271L195-L199 HydrophobicContact CD1-CD1 4.44Å; L195-L199 HydrophobicContact CD2-CD1 4.47Å; L195-L199 HydrophobicContact CG-CD1 3.83Å; L195-L199 HydrophobicContact CG-CG 4.39Å; L195-L199 VanDerWaalsContact O-CB 3.26Å; L195-L199 WeakPolarHBondContact O-CB 3.48Å; L195-L199 WeakPolarHBondContact O-CD1 3.39Å; L195-L199 WeakPolarHBondContact O-CG 3.5Å; L195-L199 PolarHBondContact O-N 2.85Å; T196-L199 PolarHBondContact O-N 3.32Å; L199-Q202 PolarHBondContact O-N 3.49Å; L199-L203 WeakPolarHBondContact O-CB 3.46Å; L199-L203 PolarHBondContact O-N 3.17Å; L199-V267 HydrophobicContact CB-CG1 4.12Å; L199-V267 HydrophobicContact CD2-CB 4.28Å; L199-V267 HydrophobicContact CD2-CG1 4.1Å; L199-V267 HydrophobicContact CD2-CG2 4.04Å; L199-V267 VanDerWaalsContact O-CG1 3.31Å; L199-V267 WeakPolarHBondContact O-CG1 3.21Å; L199-R270 HydrophobicContact CD1-CB 3.3Å; L199-R270 HydrophobicContact CD1-CG 4.36Å; L199-R270 HydrophobicContact CD2-CB 4.16Å; L199-R270 HydrophobicContact CG-CB 4.37Å; L199-I271 HydrophobicContact CB-CD1 4.08Å; L199-I271 HydrophobicContact CB-CG1 3.59Å; L199-I271 HydrophobicContact CD1-CG1 4.38Å
200F52.7Low50.5Low100 Ų10065.3 Ų65.344%0.43933%0.33SS..Hα-helixtrans-65.3-39.1174.8-161.5-92.5000111.4T196 L197 F198 L203 C204T196-F200 VanDerWaalsContact O-CB 3.28Å; T196-F200 WeakPolarHBondContact O-CB 3.45Å; T196-F200 PolarHBondContact O-N 2.84Å; L197-F200 PolarHBondContact O-N 3.03Å; F198-F200 VanDerWaalsContact C-N 3.33Å; F200-L203 CarbonylContact O-C 2.96Å; F200-L203 PolarHBondContact O-N 3.39Å; F200-C204 WeakPolarHBondContact CE1-SG 3.26Å; F200-C204 WeakPolarHBondContact O-CB 3.45Å; F200-C204 PolarHBondContact O-N 3.25Å; F200-C204 PolarHBondContact O-SG 3.08Å
201F52.3Low50.5Low43 Ų4364 Ų6419%0.18932%0.316CS..Hα-helixtrans-64.7-45.5172.8179.3-97.9000111.7F128 F131 L197 F198 L203 C204 V205F128-F201 HydrophobicContact CE2-CD2 4.26Å; F131-F201 HydrophobicContact CD1-CE2 4.39Å; F131-F201 HydrophobicContact CE1-CD1 4.38Å; F131-F201 AromaticContact CE1-CD2 3.94Å; F131-F201 HydrophobicContact CE1-CD2 3.94Å; F131-F201 HydrophobicContact CE1-CE1 4.22Å; F131-F201 AromaticContact CE1-CE2 3.76Å; F131-F201 HydrophobicContact CE1-CE2 3.76Å; F131-F201 HydrophobicContact CE1-CG 4.25Å; F131-F201 AromaticContact CE1-CZ 3.91Å; F131-F201 HydrophobicContact CE1-CZ 3.91Å; L197-F201 WeakPolarHBondContact O-CB 3.42Å; L197-F201 PolarHBondContact O-N 2.91Å; F198-F201 PolarHBondContact O-N 2.89Å; F201-L203 VanDerWaalsContact C-N 3.28Å; F201-L203 PolarHBondContact O-N 3.3Å; F201-C204 PolarHBondContact O-N 2.71Å; F201-V205 HydrophobicContact CD1-CG2 4.13Å; F201-V205 HydrophobicContact CE1-CG2 3.66Å; F201-V205 HydrophobicContact CE2-CG2 4.11Å; F201-V205 HydrophobicContact CZ-CG2 3.66Å; F201-V205 WeakPolarHBondContact O-CG2 3.44Å; F201-V205 PolarHBondContact O-N 3.41Å
202Q54Low49.9Very low42 Ų4260.3 Ų60.320%0.19630%0.304CS..Hα-helixtrans-58.2-43173.4-74.9-160.3-47.300110.8F198 L199 V205 Y206 H263 V267F198-Q202 HydrophobicContact CD1-CG 4.34Å; F198-Q202 VanDerWaalsContact CE1-CD 3.49Å; F198-Q202 HydrophobicContact CE1-CG 3.95Å; F198-Q202 HydrophobicContact CE2-CG 4.48Å; F198-Q202 HydrophobicContact CZ-CG 4.04Å; F198-Q202 WeakPolarHBondContact O-CG 3.3Å; F198-Q202 PolarHBondContact O-N 3.03Å; L199-Q202 PolarHBondContact O-N 3.49Å; Q202-V205 PolarHBondContact O-N 3.03Å; Q202-Y206 WeakPolarHBondContact O-CB 3.45Å; Q202-Y206 PolarHBondContact O-N 3.34Å; Q202-H263 PolarHBondContact OE1-CE1 2.9Å; Q202-V267 HydrophobicContact CB-CG2 4.41Å
203L58.8Low49.8Very low22 Ų2256.3 Ų56.312%0.11529%0.289CS..Hα-helixtrans-63.2-44.9174.5-175.867.4000111.5L199 F200 F201 Y206 V207 L264 V267 L268 I271 L366L199-L203 WeakPolarHBondContact O-CB 3.46Å; L199-L203 PolarHBondContact O-N 3.17Å; F200-L203 CarbonylContact O-C 2.96Å; F200-L203 PolarHBondContact O-N 3.39Å; F201-L203 VanDerWaalsContact C-N 3.28Å; F201-L203 PolarHBondContact O-N 3.3Å; L203-Y206 PolarHBondContact O-N 3.14Å; L203-V207 HydrophobicContact CD1-CG2 3.96Å; L203-V207 HydrophobicContact CG-CG2 4.08Å; L203-V207 VanDerWaalsContact O-CB 3.26Å; L203-V207 WeakPolarHBondContact O-CB 2.95Å; L203-V207 WeakPolarHBondContact O-CG2 3.35Å; L203-V207 PolarHBondContact O-N 3.38Å; L203-L264 HydrophobicContact CD1-CD1 3.48Å; L203-L264 VanDerWaalsContact CD1-CD1 3.48Å; L203-V267 HydrophobicContact CB-CG1 4.15Å; L203-L268 HydrophobicContact CD1-CD2 3.74Å; L203-L268 HydrophobicContact CD1-CG 4.39Å; L203-L268 HydrophobicContact CD2-CD2 4.02Å; L203-I271 HydrophobicContact CB-CD1 3.97Å; L203-I271 HydrophobicContact CD2-CD1 3.71Å; L203-I271 HydrophobicContact CG-CD1 4.39Å; L203-L366 HydrophobicContact CD1-CD2 4.39Å
204C51.4Low49.5Very low53 Ų5356 Ų5636%0.35829%0.287SS..Hα-helixtrans-62.1-44.5177.3-74.80000111.9F200 F201 Y206 S208F200-C204 WeakPolarHBondContact CE1-SG 3.26Å; F200-C204 WeakPolarHBondContact O-CB 3.45Å; F200-C204 PolarHBondContact O-N 3.25Å; F200-C204 PolarHBondContact O-SG 3.08Å; F201-C204 PolarHBondContact O-N 2.71Å; C204-Y206 VanDerWaalsContact C-N 3.33Å; C204-S208 WeakPolarHBondContact O-CB 3.29Å; C204-S208 PolarHBondContact O-N 2.79Å; C204-S208 PolarHBondContact O-OG 3.07Å; C204-S208 VanDerWaalsContact O-OG 3.05Å
205V51.8Low48.9Very low47 Ų4759.8 Ų59.829%0.28531%0.307SS..Hα-helixtrans-60.1-49.2174.9171.40000109.1F201 Q202 V207 S208 E209F201-V205 HydrophobicContact CD1-CG2 4.13Å; F201-V205 HydrophobicContact CE1-CG2 3.66Å; F201-V205 HydrophobicContact CE2-CG2 4.11Å; F201-V205 HydrophobicContact CZ-CG2 3.66Å; F201-V205 WeakPolarHBondContact O-CG2 3.44Å; F201-V205 PolarHBondContact O-N 3.41Å; Q202-V205 PolarHBondContact O-N 3.03Å; V205-V207 PolarHBondContact O-N 3.2Å; V205-S208 WeakPolarHBondContact CA-OG 3.49Å; V205-S208 PolarHBondContact O-N 3.27Å; V205-S208 PolarHBondContact O-OG 2.81Å; V205-E209 HydrophobicContact CG1-CG 4.41Å; V205-E209 WeakPolarHBondContact O-CB 3.26Å; V205-E209 WeakPolarHBondContact O-CG 3.29Å; V205-E209 PolarHBondContact O-N 2.81Å
206Y55Low48.3Very low15 Ų1561.3 Ų61.36%0.05932%0.315CS..Hα-helixtrans-60.3-48.4179.9-153.6-79.4000112.4Q202 L203 C204 E209 T210 I235 V236 H260 T261 L264Q202-Y206 WeakPolarHBondContact O-CB 3.45Å; Q202-Y206 PolarHBondContact O-N 3.34Å; L203-Y206 PolarHBondContact O-N 3.14Å; C204-Y206 VanDerWaalsContact C-N 3.33Å; Y206-E209 PolarHBondContact O-N 3.05Å; Y206-T210 HydrophobicContact CD1-CG2 3.87Å; Y206-T210 HydrophobicContact CE1-CG2 3.89Å; Y206-T210 WeakPolarHBondContact O-CB 3.45Å; Y206-T210 VanDerWaalsContact O-CG2 3.27Å; Y206-T210 WeakPolarHBondContact O-CG2 3.14Å; Y206-T210 PolarHBondContact O-N 3.16Å; Y206-T210 PolarHBondContact O-OG1 3.27Å; Y206-T210 VanDerWaalsContact O-OG1 3.06Å; Y206-I235 HydrophobicContact CE1-CD1 3.76Å; Y206-I235 HydrophobicContact CE1-CG1 3.62Å; Y206-I235 WeakPolarHBondContact OH-CD1 3.12Å; Y206-I235 WeakPolarHBondContact OH-CG1 3.47Å; Y206-V236 HydrophobicContact CE2-CG2 4.3Å; Y206-H260 HydrophobicContact CE2-CB 4.28Å; Y206-H260 VanDerWaalsContact OH-CB 3.27Å; Y206-H260 WeakPolarHBondContact OH-CB 3.44Å; Y206-H260 PolarHBondContact OH-O 3.29Å; Y206-T261 PolarHBondContact OH-N 3Å; Y206-L264 HydrophobicContact CD1-CB 4.37Å; Y206-L264 HydrophobicContact CD1-CD1 3.89Å; Y206-L264 HydrophobicContact CD1-CD2 4.09Å; Y206-L264 HydrophobicContact CD1-CG 4.34Å; Y206-L264 HydrophobicContact CE1-CB 3.88Å; Y206-L264 HydrophobicContact CE1-CD1 4.19Å; Y206-L264 HydrophobicContact CE1-CD2 3.71Å; Y206-L264 HydrophobicContact CE1-CG 4.14Å; Y206-L264 HydrophobicContact CE2-CB 4.26Å; Y206-L264 HydrophobicContact CG-CD1 4.24Å
207V54.1Low47.9Very low18 Ų1861.8 Ų61.811%0.10932%0.316CS..Hα-helixtrans-64.5-39.3177.2170.40000111.1L203 V205 T210 R211 L366 T370L203-V207 HydrophobicContact CD1-CG2 3.96Å; L203-V207 HydrophobicContact CG-CG2 4.08Å; L203-V207 VanDerWaalsContact O-CB 3.26Å; L203-V207 WeakPolarHBondContact O-CB 2.95Å; L203-V207 WeakPolarHBondContact O-CG2 3.35Å; L203-V207 PolarHBondContact O-N 3.38Å; V205-V207 PolarHBondContact O-N 3.2Å; V207-T210 VanDerWaalsContact CA-OG1 3.27Å; V207-T210 WeakPolarHBondContact CA-OG1 3.24Å; V207-T210 PolarHBondContact O-N 2.96Å; V207-T210 PolarHBondContact O-OG1 3.45Å; V207-R211 HydrophobicContact CG1-CG 4.06Å; V207-R211 WeakPolarHBondContact O-CB 3.44Å; V207-R211 VanDerWaalsContact O-CG 3.26Å; V207-R211 WeakPolarHBondContact O-CG 3.16Å; V207-R211 PolarHBondContact O-N 3.44Å; V207-L366 HydrophobicContact CG2-CD2 3.94Å; V207-T370 HydrophobicContact CG1-CG2 4.49Å
208S49.1Very low47.4Very low65 Ų6565 Ų6546%0.45533%0.334SS..Hα-helixtrans-67.6-41.1177.270.30000111.7C204 V205 A212C204-S208 WeakPolarHBondContact O-CB 3.29Å; C204-S208 PolarHBondContact O-N 2.79Å; C204-S208 PolarHBondContact O-OG 3.07Å; C204-S208 VanDerWaalsContact O-OG 3.05Å; V205-S208 WeakPolarHBondContact CA-OG 3.49Å; V205-S208 PolarHBondContact O-N 3.27Å; V205-S208 PolarHBondContact O-OG 2.81Å; S208-A212 WeakPolarHBondContact O-CB 3.45Å; S208-A212 PolarHBondContact O-N 3.38Å
209E47.4Very low46.5Very low80 Ų8067.5 Ų67.537%0.37435%0.354SS..Hα-helixtrans-70.6-33.6176.6-73.6-177.1178.900112.2V205 Y206 R213V205-E209 HydrophobicContact CG1-CG 4.41Å; V205-E209 WeakPolarHBondContact O-CB 3.26Å; V205-E209 WeakPolarHBondContact O-CG 3.29Å; V205-E209 PolarHBondContact O-N 2.81Å; Y206-E209 PolarHBondContact O-N 3.05Å; E209-R213 WeakPolarHBondContact O-CG 3.47Å
210T45.8Very low45.4Very low15 Ų1576.9 Ų76.99%0.09239%0.389CS..Hα-helixtrans-73.4-47.4172.556.80000111.3Y206 V207 R213 V214 I235Y206-T210 HydrophobicContact CD1-CG2 3.87Å; Y206-T210 HydrophobicContact CE1-CG2 3.89Å; Y206-T210 WeakPolarHBondContact O-CB 3.45Å; Y206-T210 VanDerWaalsContact O-CG2 3.27Å; Y206-T210 WeakPolarHBondContact O-CG2 3.14Å; Y206-T210 PolarHBondContact O-N 3.16Å; Y206-T210 PolarHBondContact O-OG1 3.27Å; Y206-T210 VanDerWaalsContact O-OG1 3.06Å; V207-T210 VanDerWaalsContact CA-OG1 3.27Å; V207-T210 WeakPolarHBondContact CA-OG1 3.24Å; V207-T210 PolarHBondContact O-N 2.96Å; V207-T210 PolarHBondContact O-OG1 3.45Å; T210-R213 PolarHBondContact O-N 2.75Å; T210-V214 WeakPolarHBondContact O-CG2 3.3Å; T210-V214 PolarHBondContact O-N 2.86Å; T210-I235 HydrophobicContact CG2-CG1 4.2Å
211R44.1Very low44.7Very low96 Ų9677.4 Ų77.436%0.36240%0.402SS..Hα-helixtrans-63.5-47.7-178.7-81.5-177.6171.7-167.3-9.1112.8V207 R213 V214 Q215 T370V207-R211 HydrophobicContact CG1-CG 4.06Å; V207-R211 WeakPolarHBondContact O-CB 3.44Å; V207-R211 VanDerWaalsContact O-CG 3.26Å; V207-R211 WeakPolarHBondContact O-CG 3.16Å; V207-R211 PolarHBondContact O-N 3.44Å; R211-R213 PolarHBondContact O-N 2.92Å; R211-V214 PolarHBondContact O-N 3.26Å; R211-Q215 PolarHBondContact O-N 3.07Å; R211-T370 PolarHBondContact NH2-OG1 3.14Å
212A35.6Very low44.1Very low56 Ų5681.2 Ų81.246%0.46343%0.429SS..Hα-helixtrans-59.4-19.1179.600000112.8S208 L216S208-A212 WeakPolarHBondContact O-CB 3.45Å; S208-A212 PolarHBondContact O-N 3.38Å; A212-L216 VanDerWaalsContact O-CD1 3.28Å; A212-L216 WeakPolarHBondContact O-CD1 3.43Å; A212-L216 WeakPolarHBondContact O-CG 3.3Å
213R42.9Very low43.4Very low121 Ų12183.4 Ų83.446%0.45745%0.449SS..Hα-helixtrans-105.1-22.5-177.8-66.8-176.8178.6175.34114.3E209 T210 R211 V236E209-R213 WeakPolarHBondContact O-CG 3.47Å; T210-R213 PolarHBondContact O-N 2.75Å; R211-R213 PolarHBondContact O-N 2.92Å; R213-V236 PolarHBondContact NH1-O 2.94Å
214V40.9Very low42.4Very low66 Ų6691.1 Ų91.140%0.448%0.481SS..Hα-helixtrans-67.8-42.8169.5172.10000110.2T210 R211 L216 L374T210-V214 WeakPolarHBondContact O-CG2 3.3Å; T210-V214 PolarHBondContact O-N 2.86Å; R211-V214 PolarHBondContact O-N 3.26Å; V214-L216 PolarHBondContact O-N 2.97Å; V214-L374 HydrophobicContact CG1-CD1 4.49Å; V214-L374 HydrophobicContact CG1-CD2 4.34Å
215Q35.8Very low42.1Very low141 Ų14191.8 Ų91.866%0.65949%0.485SS*.THydrogen-bonded Turntrans-71.2-22.4-179.2-90.1168.8-36.200115.4R211R211-Q215 PolarHBondContact O-N 3.07Å
216L37.4Very low42.3Very low123 Ų123101.2 Ų101.264%0.64452%0.516SS*.THydrogen-bonded Turntrans-78.9-19.7-178.9-76.5171.1000113.4A212 V214A212-L216 VanDerWaalsContact O-CD1 3.28Å; A212-L216 WeakPolarHBondContact O-CD1 3.43Å; A212-L216 WeakPolarHBondContact O-CG 3.3Å; V214-L216 PolarHBondContact O-N 2.97Å
217D39.9Very low42.4Very low65 Ų65101.8 Ų101.835%0.34852%0.521SS..SBendtrans-82.8-13.2-175.6-129.3-8.2000113.1R234D217-R234 IonicContact OD1-NH2 3.46Å; D217-R234 IonicContact OD2-CZ 2.71Å; D217-R234 IonicContact OD2-NE 3.83Å; D217-R234 PolarHBondContact OD2-NE 3.04Å; D217-R234 IonicContact OD2-NH2 3.26Å; D217-R234 PolarHBondContact OD2-NH2 3.21Å
218D38.5Very low42.8Very low138 Ų138105.1 Ų105.174%0.73856%0.56SS**SBendtrans-83.5-20.6177.8-79.2-30.1000114.4
219T34.4Very low43.4Very low110 Ų110103.1 Ų103.168%0.67555%0.546SS*.SBendtrans-120.24.4-168.256.80000117
220R31.2Very low44.1Very low199 Ų199103.8 Ų103.875%0.75156%0.559SS**  trans-172.3116.2162.6-104.8149.5-168.7-170.95.1109.9T222R220-T222 PolarHBondContact O-N 3.47Å
221P38.1Very low44.6Very low111 Ų111106.6 Ų106.672%0.72158%0.578SS**  trans-73.179.5174.830.4-32.7000109.2S223P221-S223 VanDerWaalsContact C-N 3.31Å; P221-S223 PolarHBondContact O-N 2.85Å
222T39.3Very low45.4Very low123 Ų123104.6 Ų104.676%0.75557%0.574SS**SBendtrans-7396.7163.652.20000106.6R220R220-T222 PolarHBondContact O-N 3.47Å
223S40.6Very low46.9Very low87 Ų87105.6 Ų105.661%0.60857%0.566SS**SBendtrans76.7120.8-170.175.70000114.5P221P221-S223 VanDerWaalsContact C-N 3.31Å; P221-S223 PolarHBondContact O-N 2.85Å
224K37.5Very low47.7Very low184 Ų184103.6 Ų103.680%0.856%0.559SS**  trans-43141.9162.9-75.4175.6174.9176.40109.2R226K224-R226 PolarHBondContact O-N 3.42Å; K224-R226 VanDerWaalsContact O-N 3.13Å
225P45.2Very low48.6Very low67 Ų67100.6 Ų100.644%0.43554%0.54SS..  trans-54.6126.9173.126.7-34.7000107.9C227 L232P225-C227 WeakPolarHBondContact CB-O 3.37Å; P225-C227 PolarHBondContact O-N 3.45Å; P225-L232 HydrophobicContact CB-CD1 3.88Å
226R54.6Low50.1Low246 Ų24695.3 Ų95.393%0.92852%0.517SS*.SBendtrans-56-19.6-176.1-69.6-176.6175.8-160.4-1.7112.5K224K224-R226 PolarHBondContact O-N 3.42Å; K224-R226 VanDerWaalsContact O-N 3.13Å
227C58.5Low51.1Low26 Ų2690.6 Ų90.618%0.17650%0.498CS..SBendtrans-129.3136.4176.651.80000109.2P225 C229 H239 H249P225-C227 WeakPolarHBondContact CB-O 3.37Å; P225-C227 PolarHBondContact O-N 3.45Å; C227-C229 PolarHBondContact O-N 3.07Å; C227-H239 PolarHBondContact SG-CD2 3.02Å; C227-H239 PolarHBondContact SG-NE2 3.24Å; C227-H249 WeakPolarHBondContact CB-CE1 3.14Å; C227-H249 PolarHBondContact SG-CE1 3.03Å
228G61.2Low52.4Low89 Ų8989.6 Ų89.692%0.91849%0.493SS*.  trans-7440.8-179.600000115
229C63.5Low53.7Low23 Ų2383.4 Ų83.416%0.15546%0.459CS..  trans-90.8134.6-176.6-60.90000111.9C227 H249C227-C229 PolarHBondContact O-N 3.07Å; C229-H249 PolarHBondContact SG-NE2 3Å
230S62Low55.3Low93 Ų9378.3 Ų78.365%0.6543%0.428SS*.SBendtrans-129.5142.9167.259.50000109.8
231P55.4Low57Low75 Ų7569 Ų6949%0.48739%0.393SS..SBendcis-69.1155.3-12.330.8-35.4000113Y233P231-Y233 HydrophobicContact CB-CE2 4Å; P231-Y233 HydrophobicContact CG-CD2 4.25Å; P231-Y233 HydrophobicContact CG-CE2 3.62Å
232L61.7Low58.5Low53 Ų5365.4 Ų65.428%0.27737%0.368SS..  trans-103.293.2-174.1-157.7103.5000111.4P225 R234 H239P225-L232 HydrophobicContact CB-CD1 3.88Å; L232-R234 HydrophobicContact CD2-CG 4.22Å; L232-R234 VanDerWaalsContact CD2-NE 3.28Å; L232-H239 VanDerWaalsContact CD1-CE1 3.49Å; L232-H239 WeakPolarHBondContact CD1-CE1 3.3Å
233Y65.5Low60Low78 Ų7860.8 Ų60.831%0.30634%0.343SS..  trans-90.4138.4173.3-67.1-71.8000111.7P231 H239 L240 L359 A360 A363P231-Y233 HydrophobicContact CB-CE2 4Å; P231-Y233 HydrophobicContact CG-CD2 4.25Å; P231-Y233 HydrophobicContact CG-CE2 3.62Å; Y233-H239 PolarHBondContact O-ND1 3.22Å; Y233-L240 PolarHBondContact O-N 2.93Å; Y233-L240 VanDerWaalsContact O-N 3.09Å; Y233-L359 HydrophobicContact CD1-CD2 3.83Å; Y233-L359 HydrophobicContact CG-CB 4.32Å; Y233-L359 HydrophobicContact CG-CD2 3.88Å; Y233-A360 HydrophobicContact CD2-CB 4.45Å; Y233-A360 HydrophobicContact CE2-CB 3.75Å; Y233-A363 HydrophobicContact CD1-CB 4.22Å; Y233-A363 HydrophobicContact CE1-CB 3.94Å
234R60.1Low61.2Low79 Ų7962.5 Ų62.530%0.29834%0.341SS..EExtended strand (participates in β ladder)trans-130141177.1-57.2-172.9-166.9-140.211.6112D217 L232 L238 H239D217-R234 IonicContact OD1-NH2 3.46Å; D217-R234 IonicContact OD2-CZ 2.71Å; D217-R234 IonicContact OD2-NE 3.83Å; D217-R234 PolarHBondContact OD2-NE 3.04Å; D217-R234 IonicContact OD2-NH2 3.26Å; D217-R234 PolarHBondContact OD2-NH2 3.21Å; L232-R234 HydrophobicContact CD2-CG 4.22Å; L232-R234 VanDerWaalsContact CD2-NE 3.28Å; R234-L238 CarbonylContact C-O 3.57Å; R234-L238 WeakPolarHBondContact CA-O 3.34Å; R234-L238 WeakPolarHBondContact CB-O 3.26Å; R234-H239 HydrophobicContact CG-CB 4.48Å
235I61.2Low62.6Low3 Ų357 Ų572%0.01532%0.317CS..EExtended strand (participates in β ladder)trans-125.1122.3175.2-156.5162000108.9Y206 T210 G237 L238 A257 H260 T261 L359Y206-I235 HydrophobicContact CE1-CD1 3.76Å; Y206-I235 HydrophobicContact CE1-CG1 3.62Å; Y206-I235 WeakPolarHBondContact OH-CD1 3.12Å; Y206-I235 WeakPolarHBondContact OH-CG1 3.47Å; T210-I235 HydrophobicContact CG2-CG1 4.2Å; I235-G237 PolarHBondContact O-N 3.42Å; I235-G237 VanDerWaalsContact O-N 3.11Å; I235-L238 PolarHBondContact N-O 3.28Å; I235-L238 WeakPolarHBondContact O-CB 3.49Å; I235-L238 PolarHBondContact O-N 3.45Å; I235-A257 HydrophobicContact CG2-CB 3.66Å; I235-H260 HydrophobicContact CG1-CB 4.44Å; I235-H260 HydrophobicContact CG2-CB 4.24Å; I235-T261 VanDerWaalsContact CD1-OG1 3.31Å; I235-T261 WeakPolarHBondContact CD1-OG1 3.44Å; I235-L359 HydrophobicContact CB-CD1 3.93Å; I235-L359 HydrophobicContact CG2-CD1 4.4Å
236V66Low64.1Low29 Ų2954.3 Ų54.318%0.17630%0.298CS..THydrogen-bonded Turntrans51.337.3-172.2-164.90000111.3Y206 R213 L238 H260Y206-V236 HydrophobicContact CE2-CG2 4.3Å; R213-V236 PolarHBondContact NH1-O 2.94Å; V236-L238 PolarHBondContact O-N 3.01Å; V236-H260 HydrophobicContact CG2-CB 4.41Å
237G59.6Low64.8Low24 Ų2448 Ų4825%0.24728%0.282CS..THydrogen-bonded Turntrans74.1-3-178.500000116.6I235I235-G237 PolarHBondContact O-N 3.42Å; I235-G237 VanDerWaalsContact O-N 3.11Å
238L66.7Low65.5Low44 Ų4457.2 Ų57.223%0.2331%0.313CS..EExtended strand (participates in β ladder)trans-85.6132.4175.2-58.3173.5000109.8R234 I235 V236 L240 E253 T256 A257R234-L238 CarbonylContact C-O 3.57Å; R234-L238 WeakPolarHBondContact CA-O 3.34Å; R234-L238 WeakPolarHBondContact CB-O 3.26Å; I235-L238 PolarHBondContact N-O 3.28Å; I235-L238 WeakPolarHBondContact O-CB 3.49Å; I235-L238 PolarHBondContact O-N 3.45Å; V236-L238 PolarHBondContact O-N 3.01Å; L238-L240 PolarHBondContact O-N 3.15Å; L238-E253 HydrophobicContact CB-CG 4.31Å; L238-E253 HydrophobicContact CD2-CG 4.27Å; L238-T256 HydrophobicContact CD1-CG2 3.46Å; L238-T256 VanDerWaalsContact CD1-CG2 3.46Å; L238-A257 HydrophobicContact CB-CB 4.05Å; L238-A257 HydrophobicContact CD1-CB 4.39Å
239H64.6Low66.1Low8 Ų853.9 Ų53.94%0.03727%0.273CS..EExtended strand (participates in β ladder)trans-77.6123.3176.8176.549.7000110C227 L232 Y233 R234 H249 E253C227-H239 PolarHBondContact SG-CD2 3.02Å; C227-H239 PolarHBondContact SG-NE2 3.24Å; L232-H239 VanDerWaalsContact CD1-CE1 3.49Å; L232-H239 WeakPolarHBondContact CD1-CE1 3.3Å; Y233-H239 PolarHBondContact O-ND1 3.22Å; R234-H239 HydrophobicContact CG-CB 4.48Å; H239-H249 AromaticContact CD2-CE1 3.45Å; H239-H249 PolarHBondContact CD2-CE1 3.43Å; H239-H249 VanDerWaalsContact CD2-CE1 3.45Å; H239-H249 AromaticContact CD2-ND1 3.69Å; H239-H249 AromaticContact NE2-CE1 3.47Å; H239-H249 PolarHBondContact NE2-CE1 3.35Å; H239-E253 PolarHBondContact N-OE1 3.38Å; H239-E253 VanDerWaalsContact N-OE1 3.08Å
240L69.1Low66.8Low3 Ų357.3 Ų57.32%0.01629%0.29CS..  trans-111.7105.2172.1-170.262.7000108.4Y233 L238 Y246 V254 A257 L258 L359Y233-L240 PolarHBondContact O-N 2.93Å; Y233-L240 VanDerWaalsContact O-N 3.09Å; L238-L240 PolarHBondContact O-N 3.15Å; L240-Y246 HydrophobicContact CD1-CD1 4.46Å; L240-Y246 HydrophobicContact CD1-CE1 3.51Å; L240-Y246 HydrophobicContact CG-CE1 4.19Å; L240-V254 HydrophobicContact CD1-CG1 4.08Å; L240-A257 HydrophobicContact CB-CB 3.97Å; L240-A257 HydrophobicContact CD1-CB 3.83Å; L240-A257 HydrophobicContact CD2-CB 4.36Å; L240-A257 HydrophobicContact CG-CB 4.27Å; L240-L258 HydrophobicContact CD1-CD2 4.27Å; L240-L258 HydrophobicContact CD1-CG 4.03Å; L240-L258 HydrophobicContact CD2-CD2 4.08Å; L240-L359 HydrophobicContact CB-CD1 3.78Å; L240-L359 HydrophobicContact CD2-CB 4.29Å; L240-L359 HydrophobicContact CD2-CD1 4.17Å
241P66Low67.5Low4 Ų457 Ų573%0.02628%0.278CS..  trans-74.317417534.9-38.8000110.7K245 Y246 H249P241-K245 HydrophobicContact CB-CB 4Å; P241-K245 HydrophobicContact CG-CB 4.45Å; P241-Y246 HydrophobicContact CG-CD1 3.77Å; P241-Y246 HydrophobicContact CG-CE1 4.07Å; P241-Y246 WeakPolarHBondContact O-CE1 3.13Å; P241-H249 HydrophobicContact CG-CB 4.45Å
242D70.5Confident68.6Low35 Ų3559 Ų5919%0.18728%0.283CS..  trans-61.1153.8171.9-53.7-46.6000111.3E244 K245D242-E244 PolarHBondContact O-N 3.16Å; D242-K245 PolarHBondContact O-N 3.24Å; D242-K245 IonicContact OD2-NZ 3.14Å
243A69.6Low69.2Low27 Ų2759 Ų5922%0.22328%0.281CS..G310 helixtrans-55.5-31.1-171.900000114.5K245 Y246 V321 R356A243-K245 VanDerWaalsContact C-N 3.3Å; A243-K245 PolarHBondContact O-N 3.23Å; A243-Y246 VanDerWaalsContact CA-CE2 3.42Å; A243-Y246 HydrophobicContact CB-CD2 4.29Å; A243-Y246 HydrophobicContact CB-CE2 3.79Å; A243-Y246 VanDerWaalsContact O-CD2 3.29Å; A243-Y246 WeakPolarHBondContact O-CD2 3.38Å; A243-V321 HydrophobicContact CB-CG1 4.29Å; A243-R356 WeakPolarHBondContact CB-O 3.42Å; A243-R356 PolarHBondContact N-O 3.01Å
244E66.6Low69.8Low123 Ų12355.4 Ų55.458%0.57527%0.267SS*.G310 helixtrans-68.5-27.1178.1-60.6-176.7175.200113.5D242 R356D242-E244 PolarHBondContact O-N 3.16Å; E244-R356 WeakPolarHBondContact OE1-CD 3.45Å; E244-R356 IonicContact OE1-CZ 3.07Å; E244-R356 IonicContact OE1-NE 3.21Å; E244-R356 IonicContact OE1-NH1 2.69Å; E244-R356 PolarHBondContact OE1-NH1 2.94Å
245K67.9Low70.7Confident69 Ų6951.9 Ų51.930%0.326%0.255SS..G310 helixtrans-93.7-3.3-174.4-68172.4-171.3156.70112.6P241 D242 A243 I247 R248 H249P241-K245 HydrophobicContact CB-CB 4Å; P241-K245 HydrophobicContact CG-CB 4.45Å; D242-K245 PolarHBondContact O-N 3.24Å; D242-K245 IonicContact OD2-NZ 3.14Å; A243-K245 VanDerWaalsContact C-N 3.3Å; A243-K245 PolarHBondContact O-N 3.23Å; K245-I247 PolarHBondContact O-N 3.16Å; K245-R248 PolarHBondContact O-N 2.92Å; K245-H249 PolarHBondContact O-CD2 3.38Å
246Y74.8Confident71.4Confident10 Ų1053.6 Ų53.64%0.03927%0.266CS..G310 helixtrans-52.7-32.2-178.6-69.3-28.2000114.3L240 P241 A243 R248 H249 V254 L258 F317 V321 T358L240-Y246 HydrophobicContact CD1-CD1 4.46Å; L240-Y246 HydrophobicContact CD1-CE1 3.51Å; L240-Y246 HydrophobicContact CG-CE1 4.19Å; P241-Y246 HydrophobicContact CG-CD1 3.77Å; P241-Y246 HydrophobicContact CG-CE1 4.07Å; P241-Y246 WeakPolarHBondContact O-CE1 3.13Å; A243-Y246 VanDerWaalsContact CA-CE2 3.42Å; A243-Y246 HydrophobicContact CB-CD2 4.29Å; A243-Y246 HydrophobicContact CB-CE2 3.79Å; A243-Y246 VanDerWaalsContact O-CD2 3.29Å; A243-Y246 WeakPolarHBondContact O-CD2 3.38Å; Y246-R248 PolarHBondContact O-N 3.5Å; Y246-H249 PolarHBondContact O-N 3.02Å; Y246-V254 HydrophobicContact CD1-CB 4.34Å; Y246-V254 HydrophobicContact CD1-CG1 3.44Å; Y246-V254 VanDerWaalsContact CD1-CG1 3.44Å; Y246-V254 HydrophobicContact CD1-CG2 3.88Å; Y246-V254 HydrophobicContact CD2-CG1 4.17Å; Y246-V254 HydrophobicContact CE1-CG1 3.74Å; Y246-V254 HydrophobicContact CE2-CG1 4.37Å; Y246-V254 HydrophobicContact CG-CG1 3.72Å; Y246-L258 HydrophobicContact CE2-CD1 4.29Å; Y246-F317 AromaticContact CD2-CE1 3.65Å; Y246-F317 HydrophobicContact CD2-CE1 3.65Å; Y246-F317 AromaticContact CD2-CZ 3.66Å; Y246-F317 HydrophobicContact CD2-CZ 3.66Å; Y246-F317 HydrophobicContact CE2-CE1 4.39Å; Y246-F317 HydrophobicContact CE2-CZ 4.1Å; Y246-F317 HydrophobicContact CG-CE1 4.4Å; Y246-F317 HydrophobicContact CG-CZ 4.37Å; Y246-V321 HydrophobicContact CE2-CG1 4.15Å; Y246-V321 HydrophobicContact CE2-CG2 4.11Å; Y246-T358 PolarHBondContact OH-OG1 3.46Å
247I70.1Confident71.8Confident112 Ų11252.2 Ų52.257%0.57426%0.257SS*.G310 helixtrans-61.7-29.7179.1-56.2168.5000112.1K245 H249K245-I247 PolarHBondContact O-N 3.16Å; I247-H249 VanDerWaalsContact C-N 3.3Å; I247-H249 PolarHBondContact O-N 2.64Å
248R73.5Confident72.8Confident220 Ų22051.1 Ų51.183%0.8325%0.245SC*.G310 helixtrans-86.50.2-177.3-61.4-173.3-178.5-124.62113.5K245 Y246K245-R248 PolarHBondContact O-N 2.92Å; Y246-R248 PolarHBondContact O-N 3.5Å
249H74.3Confident73.3Confident20 Ų2049.1 Ų49.19%0.09324%0.236CC..SBendtrans-122.2164.8-173.2-67.6-115.5000111.1C227 C229 H239 P241 K245 Y246 I247 H251 V254C227-H249 WeakPolarHBondContact CB-CE1 3.14Å; C227-H249 PolarHBondContact SG-CE1 3.03Å; C229-H249 PolarHBondContact SG-NE2 3Å; H239-H249 AromaticContact CD2-CE1 3.45Å; H239-H249 PolarHBondContact CD2-CE1 3.43Å; H239-H249 VanDerWaalsContact CD2-CE1 3.45Å; H239-H249 AromaticContact CD2-ND1 3.69Å; H239-H249 AromaticContact NE2-CE1 3.47Å; H239-H249 PolarHBondContact NE2-CE1 3.35Å; P241-H249 HydrophobicContact CG-CB 4.45Å; K245-H249 PolarHBondContact O-CD2 3.38Å; Y246-H249 PolarHBondContact O-N 3.02Å; I247-H249 VanDerWaalsContact C-N 3.3Å; I247-H249 PolarHBondContact O-N 2.64Å; H249-H251 PolarHBondContact O-N 3.4Å; H249-H251 VanDerWaalsContact O-N 3.16Å; H249-V254 HydrophobicContact CB-CG2 3.93Å
250N76.8Confident73.7Confident95 Ų9551.8 Ų51.851%0.50825%0.248SC..  trans-63.3119177.2-175.9-5.1000110.3M252 E253 V254N250-M252 PolarHBondContact O-N 3Å; N250-M252 VanDerWaalsContact O-N 3.14Å; N250-M252 PolarHBondContact OD1-N 3.22Å; N250-E253 HydrophobicContact CB-CB 4.04Å; N250-E253 WeakPolarHBondContact O-CB 3.32Å; N250-E253 PolarHBondContact O-N 3Å; N250-V254 PolarHBondContact O-N 3.12Å
251H78.2Confident74.2Confident85 Ų8551.6 Ų51.639%0.39425%0.247SC..Hα-helixtrans-51.5-37.1177.4-66-73.2000112.6H249 S255 S309H249-H251 PolarHBondContact O-N 3.4Å; H249-H251 VanDerWaalsContact O-N 3.16Å; H251-S255 VanDerWaalsContact O-CB 3.25Å; H251-S255 WeakPolarHBondContact O-CB 3.38Å; H251-S255 PolarHBondContact O-N 3.18Å; H251-S255 PolarHBondContact O-OG 3.33Å; H251-S309 WeakPolarHBondContact CB-OG 3.35Å; H251-S309 WeakPolarHBondContact ND1-CB 3.45Å; H251-S309 PolarHBondContact ND1-OG 2.98Å
252M77.4Confident75Confident119 Ų11951.4 Ų51.459%0.58625%0.246SC*.Hα-helixtrans-70-38.2178.4-70.2-62.4-6700112.7N250 T256N250-M252 PolarHBondContact O-N 3Å; N250-M252 VanDerWaalsContact O-N 3.14Å; N250-M252 PolarHBondContact OD1-N 3.22Å; M252-T256 WeakPolarHBondContact O-CB 3.44Å; M252-T256 PolarHBondContact O-N 2.89Å; M252-T256 PolarHBondContact O-OG1 2.89Å
253E75Confident75.4Confident53 Ų5352.2 Ų52.225%0.24825%0.249CC..Hα-helixtrans-66.2-49.2177.6-177.4173.1-170.600110.3L238 H239 N250 S255 T256 A257L238-E253 HydrophobicContact CB-CG 4.31Å; L238-E253 HydrophobicContact CD2-CG 4.27Å; H239-E253 PolarHBondContact N-OE1 3.38Å; H239-E253 VanDerWaalsContact N-OE1 3.08Å; N250-E253 HydrophobicContact CB-CB 4.04Å; N250-E253 WeakPolarHBondContact O-CB 3.32Å; N250-E253 PolarHBondContact O-N 3Å; E253-S255 PolarHBondContact O-N 2.93Å; E253-T256 PolarHBondContact O-N 2.74Å; E253-A257 WeakPolarHBondContact O-CB 3.31Å; E253-A257 PolarHBondContact O-N 3.18Å
254V78.5Confident75.8Confident1 Ų151 Ų511%0.00624%0.238CC..Hα-helixtrans-59-46.9176.71740000111.2L240 Y246 H249 N250 T256 A257 L258 F317L240-V254 HydrophobicContact CD1-CG1 4.08Å; Y246-V254 HydrophobicContact CD1-CB 4.34Å; Y246-V254 HydrophobicContact CD1-CG1 3.44Å; Y246-V254 VanDerWaalsContact CD1-CG1 3.44Å; Y246-V254 HydrophobicContact CD1-CG2 3.88Å; Y246-V254 HydrophobicContact CD2-CG1 4.17Å; Y246-V254 HydrophobicContact CE1-CG1 3.74Å; Y246-V254 HydrophobicContact CE2-CG1 4.37Å; Y246-V254 HydrophobicContact CG-CG1 3.72Å; H249-V254 HydrophobicContact CB-CG2 3.93Å; N250-V254 PolarHBondContact O-N 3.12Å; V254-T256 VanDerWaalsContact C-N 3.33Å; V254-T256 PolarHBondContact O-N 3.27Å; V254-A257 PolarHBondContact O-N 2.84Å; V254-L258 HydrophobicContact CG1-CD1 3.84Å; V254-L258 HydrophobicContact CG1-CG 4.36Å; V254-L258 WeakPolarHBondContact O-CB 3.39Å; V254-L258 WeakPolarHBondContact O-CG 3.36Å; V254-L258 PolarHBondContact O-N 3.37Å; V254-F317 HydrophobicContact CG1-CZ 4.17Å
255S78.6Confident76.4Confident5 Ų545.2 Ų45.24%0.03521%0.211CC..Hα-helixtrans-64.3-38-179.4-560000112.2H251 E253 G259 S285 F308H251-S255 VanDerWaalsContact O-CB 3.25Å; H251-S255 WeakPolarHBondContact O-CB 3.38Å; H251-S255 PolarHBondContact O-N 3.18Å; H251-S255 PolarHBondContact O-OG 3.33Å; E253-S255 PolarHBondContact O-N 2.93Å; S255-G259 PolarHBondContact O-N 2.68Å; S255-S285 WeakPolarHBondContact CB-O 3.24Å; S255-F308 VanDerWaalsContact OG-CA 3.25Å; S255-F308 WeakPolarHBondContact OG-CA 3.33Å; S255-F308 VanDerWaalsContact OG-CB 3.31Å; S255-F308 WeakPolarHBondContact OG-CB 3.44Å
256T75.2Confident77Confident40 Ų4042.3 Ų42.325%0.24520%0.199CC..Hα-helixtrans-70.1-43.2177.6-52.30000110.8L238 M252 E253 V254 G259 H260 S285L238-T256 HydrophobicContact CD1-CG2 3.46Å; L238-T256 VanDerWaalsContact CD1-CG2 3.46Å; M252-T256 WeakPolarHBondContact O-CB 3.44Å; M252-T256 PolarHBondContact O-N 2.89Å; M252-T256 PolarHBondContact O-OG1 2.89Å; E253-T256 PolarHBondContact O-N 2.74Å; V254-T256 VanDerWaalsContact C-N 3.33Å; V254-T256 PolarHBondContact O-N 3.27Å; T256-G259 PolarHBondContact O-N 3.13Å; T256-H260 PolarHBondContact O-CD2 3.06Å; T256-H260 PolarHBondContact O-N 3.49Å; T256-S285 WeakPolarHBondContact OG1-CB 3.42Å
257A74.4Confident77Confident0 Ų042 Ų420%020%0.198CC..Hα-helixtrans-63-45175.600000112.1I235 L238 L240 E253 V254 G259 H260 T261I235-A257 HydrophobicContact CG2-CB 3.66Å; L238-A257 HydrophobicContact CB-CB 4.05Å; L238-A257 HydrophobicContact CD1-CB 4.39Å; L240-A257 HydrophobicContact CB-CB 3.97Å; L240-A257 HydrophobicContact CD1-CB 3.83Å; L240-A257 HydrophobicContact CD2-CB 4.36Å; L240-A257 HydrophobicContact CG-CB 4.27Å; E253-A257 WeakPolarHBondContact O-CB 3.31Å; E253-A257 PolarHBondContact O-N 3.18Å; V254-A257 PolarHBondContact O-N 2.84Å; A257-G259 VanDerWaalsContact C-N 3.33Å; A257-G259 PolarHBondContact O-N 2.94Å; A257-H260 WeakPolarHBondContact O-CB 3.4Å; A257-H260 PolarHBondContact O-N 2.88Å; A257-T261 PolarHBondContact O-N 3.42Å; A257-T261 PolarHBondContact O-OG1 3.32Å; A257-T261 VanDerWaalsContact O-OG1 3.05Å
258L80.4Confident77.1Confident0 Ų036.6 Ų36.60%017%0.171CC..Hα-helixtrans-62.9-38.4173.5-74.4172.1000112.5L240 Y246 V254 H260 T261 A262 L307 F317 V321 L324 T358L240-L258 HydrophobicContact CD1-CD2 4.27Å; L240-L258 HydrophobicContact CD1-CG 4.03Å; L240-L258 HydrophobicContact CD2-CD2 4.08Å; Y246-L258 HydrophobicContact CE2-CD1 4.29Å; V254-L258 HydrophobicContact CG1-CD1 3.84Å; V254-L258 HydrophobicContact CG1-CG 4.36Å; V254-L258 WeakPolarHBondContact O-CB 3.39Å; V254-L258 WeakPolarHBondContact O-CG 3.36Å; V254-L258 PolarHBondContact O-N 3.37Å; L258-H260 VanDerWaalsContact C-N 3.33Å; L258-T261 WeakPolarHBondContact O-CB 3.47Å; L258-T261 PolarHBondContact O-N 3.38Å; L258-A262 VanDerWaalsContact O-CB 3.31Å; L258-A262 WeakPolarHBondContact O-CB 3.36Å; L258-A262 PolarHBondContact O-N 3.34Å; L258-L307 HydrophobicContact CB-CB 4.26Å; L258-L307 WeakPolarHBondContact CD1-O 3.36Å; L258-F317 HydrophobicContact CD1-CE2 3.61Å; L258-F317 HydrophobicContact CD1-CZ 3.79Å; L258-V321 HydrophobicContact CD1-CG2 3.81Å; L258-V321 HydrophobicContact CD2-CG2 4.38Å; L258-L324 HydrophobicContact CD2-CD2 4.32Å; L258-T358 HydrophobicContact CD2-CG2 4.31Å
259G77.8Confident77.1Confident3 Ų326.6 Ų26.63%0.03113%0.134CC..Hα-helixtrans-60.8-42.2173.800000112.7S255 T256 A257 H263 G284S255-G259 PolarHBondContact O-N 2.68Å; T256-G259 PolarHBondContact O-N 3.13Å; A257-G259 VanDerWaalsContact C-N 3.33Å; A257-G259 PolarHBondContact O-N 2.94Å; G259-H263 PolarHBondContact O-N 3.18Å; G259-G284 VanDerWaalsContact CA-O 3.24Å; G259-G284 WeakPolarHBondContact CA-O 3.31Å
260H73.5Confident77.1Confident63 Ų6330.7 Ų30.729%0.29215%0.149SC..Hα-helixtrans-62.8-46.6171.5-80-61000111Y206 I235 V236 T256 A257 L258 A262 H263 L264Y206-H260 HydrophobicContact CE2-CB 4.28Å; Y206-H260 VanDerWaalsContact OH-CB 3.27Å; Y206-H260 WeakPolarHBondContact OH-CB 3.44Å; Y206-H260 PolarHBondContact OH-O 3.29Å; I235-H260 HydrophobicContact CG1-CB 4.44Å; I235-H260 HydrophobicContact CG2-CB 4.24Å; V236-H260 HydrophobicContact CG2-CB 4.41Å; T256-H260 PolarHBondContact O-CD2 3.06Å; T256-H260 PolarHBondContact O-N 3.49Å; A257-H260 WeakPolarHBondContact O-CB 3.4Å; A257-H260 PolarHBondContact O-N 2.88Å; L258-H260 VanDerWaalsContact C-N 3.33Å; H260-A262 VanDerWaalsContact C-N 3.34Å; H260-A262 PolarHBondContact O-N 3.1Å; H260-H263 WeakPolarHBondContact O-CB 3.43Å; H260-H263 PolarHBondContact O-N 3.24Å; H260-H263 VanDerWaalsContact O-N 3.14Å; H260-L264 PolarHBondContact O-N 3.36Å
261T78.8Confident76.7Confident0 Ų027.4 Ų27.40%013%0.131CC..Hα-helixtrans-58.5-45.9178.2-580000111.6Y206 I235 A257 L258 H263 L264 V265 L324 I328 V362Y206-T261 PolarHBondContact OH-N 3Å; I235-T261 VanDerWaalsContact CD1-OG1 3.31Å; I235-T261 WeakPolarHBondContact CD1-OG1 3.44Å; A257-T261 PolarHBondContact O-N 3.42Å; A257-T261 PolarHBondContact O-OG1 3.32Å; A257-T261 VanDerWaalsContact O-OG1 3.05Å; L258-T261 WeakPolarHBondContact O-CB 3.47Å; L258-T261 PolarHBondContact O-N 3.38Å; T261-H263 VanDerWaalsContact C-N 3.29Å; T261-H263 PolarHBondContact O-N 3.37Å; T261-L264 WeakPolarHBondContact O-CB 3.37Å; T261-L264 PolarHBondContact O-N 3.17Å; T261-L264 VanDerWaalsContact O-N 3.16Å; T261-V265 WeakPolarHBondContact O-CG2 3.35Å; T261-V265 PolarHBondContact O-N 2.88Å; T261-L324 HydrophobicContact CG2-CD2 4.2Å; T261-I328 HydrophobicContact CG2-CD1 4.29Å; T261-V362 HydrophobicContact CG2-CG2 3.76Å
262A82.6Confident76.3Confident0 Ų026.6 Ų26.60%013%0.127CC..Hα-helixtrans-56.6-42.2174.900000112.3L258 H260 S266 V280 L282 L307 L324L258-A262 VanDerWaalsContact O-CB 3.31Å; L258-A262 WeakPolarHBondContact O-CB 3.36Å; L258-A262 PolarHBondContact O-N 3.34Å; H260-A262 VanDerWaalsContact C-N 3.34Å; H260-A262 PolarHBondContact O-N 3.1Å; A262-S266 WeakPolarHBondContact O-CB 3.43Å; A262-S266 PolarHBondContact O-N 3.04Å; A262-V280 HydrophobicContact CB-CG1 3.75Å; A262-L282 HydrophobicContact CB-CD2 4.17Å; A262-L307 HydrophobicContact CB-CD1 3.78Å; A262-L324 HydrophobicContact CB-CD1 4.35Å
263H79.9Confident76.1Confident52 Ų5227.4 Ų27.424%0.24113%0.133CC..Hα-helixtrans-63.5-45.4175.1-171.8-84.7000111.9Q202 G259 H260 T261 V265 S266 V267 L282Q202-H263 PolarHBondContact OE1-CE1 2.9Å; G259-H263 PolarHBondContact O-N 3.18Å; H260-H263 WeakPolarHBondContact O-CB 3.43Å; H260-H263 PolarHBondContact O-N 3.24Å; H260-H263 VanDerWaalsContact O-N 3.14Å; T261-H263 VanDerWaalsContact C-N 3.29Å; T261-H263 PolarHBondContact O-N 3.37Å; H263-V265 PolarHBondContact O-N 3.47Å; H263-S266 WeakPolarHBondContact O-CB 3.26Å; H263-S266 PolarHBondContact O-N 2.86Å; H263-V267 WeakPolarHBondContact O-CG2 3.43Å; H263-V267 PolarHBondContact O-N 2.82Å; H263-L282 HydrophobicContact CB-CD2 4.15Å
264L77Confident76.1Confident2 Ų225.7 Ų25.71%0.0113%0.126CC..Hα-helixtrans-59.4-48.2177.1176.663.6000111.7L203 Y206 H260 T261 S266 V267 L268 V362 L366L203-L264 HydrophobicContact CD1-CD1 3.48Å; L203-L264 VanDerWaalsContact CD1-CD1 3.48Å; Y206-L264 HydrophobicContact CD1-CB 4.37Å; Y206-L264 HydrophobicContact CD1-CD1 3.89Å; Y206-L264 HydrophobicContact CD1-CD2 4.09Å; Y206-L264 HydrophobicContact CD1-CG 4.34Å; Y206-L264 HydrophobicContact CE1-CB 3.88Å; Y206-L264 HydrophobicContact CE1-CD1 4.19Å; Y206-L264 HydrophobicContact CE1-CD2 3.71Å; Y206-L264 HydrophobicContact CE1-CG 4.14Å; Y206-L264 HydrophobicContact CE2-CB 4.26Å; Y206-L264 HydrophobicContact CG-CD1 4.24Å; H260-L264 PolarHBondContact O-N 3.36Å; T261-L264 WeakPolarHBondContact O-CB 3.37Å; T261-L264 PolarHBondContact O-N 3.17Å; T261-L264 VanDerWaalsContact O-N 3.16Å; L264-S266 VanDerWaalsContact C-N 3.29Å; L264-S266 PolarHBondContact O-N 3.43Å; L264-V267 PolarHBondContact O-N 3.28Å; L264-V267 VanDerWaalsContact O-N 3.14Å; L264-L268 HydrophobicContact CD1-CD1 4.23Å; L264-L268 HydrophobicContact CD1-CG 4.22Å; L264-L268 HydrophobicContact CG-CD1 4.06Å; L264-L268 HydrophobicContact CG-CG 4.45Å; L264-L268 WeakPolarHBondContact O-CG 3.33Å; L264-L268 PolarHBondContact O-N 2.97Å; L264-V362 HydrophobicContact CD2-CG1 3.43Å; L264-V362 VanDerWaalsContact CD2-CG1 3.43Å; L264-L366 HydrophobicContact CD1-CD2 4.42Å; L264-L366 HydrophobicContact CD2-CD1 4Å; L264-L366 HydrophobicContact CD2-CD2 4.26Å; L264-L366 HydrophobicContact CD2-CG 4.33Å
265V79.7Confident76.2Confident1 Ų130.1 Ų30.11%0.00616%0.155CC..Hα-helixtrans-60.3-40.8177.9174.20000111.1T261 H263 L268 S269 L276 L324 N327 I328T261-V265 WeakPolarHBondContact O-CG2 3.35Å; T261-V265 PolarHBondContact O-N 2.88Å; H263-V265 PolarHBondContact O-N 3.47Å; V265-L268 PolarHBondContact O-N 3.48Å; V265-S269 WeakPolarHBondContact O-CB 3.15Å; V265-S269 PolarHBondContact O-N 2.93Å; V265-S269 PolarHBondContact O-OG 2.91Å; V265-L276 HydrophobicContact CG1-CD1 4.36Å; V265-L276 HydrophobicContact CG1-CD2 4.14Å; V265-L324 HydrophobicContact CG2-CD1 4.36Å; V265-N327 HydrophobicContact CG1-CB 4.17Å; V265-I328 HydrophobicContact CG2-CD1 4.13Å; V265-I328 HydrophobicContact CG2-CG1 3.49Å; V265-I328 VanDerWaalsContact CG2-CG1 3.49Å
266S80.1Confident76.4Confident7 Ų731.2 Ų31.25%0.04916%0.16CC..Hα-helixtrans-62.1-45174.8-1710000111.7A262 H263 L264 S269 R270A262-S266 WeakPolarHBondContact O-CB 3.43Å; A262-S266 PolarHBondContact O-N 3.04Å; H263-S266 WeakPolarHBondContact O-CB 3.26Å; H263-S266 PolarHBondContact O-N 2.86Å; L264-S266 VanDerWaalsContact C-N 3.29Å; L264-S266 PolarHBondContact O-N 3.43Å; S266-S269 PolarHBondContact O-N 3.48Å; S266-S269 PolarHBondContact O-OG 3.25Å; S266-R270 WeakPolarHBondContact O-CG 3.42Å; S266-R270 PolarHBondContact O-N 2.71Å; S266-R270 VanDerWaalsContact O-N 3.11Å
267V75.1Confident76.9Confident3 Ų335.8 Ų35.82%0.01817%0.173CC..Hα-helixtrans-60.4-48.5176.8169.80000111L199 Q202 L203 H263 L264 S269 R270 I271L199-V267 HydrophobicContact CB-CG1 4.12Å; L199-V267 HydrophobicContact CD2-CB 4.28Å; L199-V267 HydrophobicContact CD2-CG1 4.1Å; L199-V267 HydrophobicContact CD2-CG2 4.04Å; L199-V267 VanDerWaalsContact O-CG1 3.31Å; L199-V267 WeakPolarHBondContact O-CG1 3.21Å; Q202-V267 HydrophobicContact CB-CG2 4.41Å; L203-V267 HydrophobicContact CB-CG1 4.15Å; H263-V267 WeakPolarHBondContact O-CG2 3.43Å; H263-V267 PolarHBondContact O-N 2.82Å; L264-V267 PolarHBondContact O-N 3.28Å; L264-V267 VanDerWaalsContact O-N 3.14Å; V267-S269 PolarHBondContact O-N 3.46Å; V267-R270 PolarHBondContact O-N 3.27Å; V267-I271 HydrophobicContact CG1-CD1 3.7Å; V267-I271 HydrophobicContact CG1-CG1 4.36Å; V267-I271 WeakPolarHBondContact O-CG1 3.4Å; V267-I271 PolarHBondContact O-N 3.45Å
268L72.3Confident77.6Confident0 Ų036.2 Ų36.20%018%0.175CC..Hα-helixtrans-60.4-46178.2-69.2174.3000111.9L203 L264 V265 R270 I271 F272 V331 L365 L369L203-L268 HydrophobicContact CD1-CD2 3.74Å; L203-L268 HydrophobicContact CD1-CG 4.39Å; L203-L268 HydrophobicContact CD2-CD2 4.02Å; L264-L268 HydrophobicContact CD1-CD1 4.23Å; L264-L268 HydrophobicContact CD1-CG 4.22Å; L264-L268 HydrophobicContact CG-CD1 4.06Å; L264-L268 HydrophobicContact CG-CG 4.45Å; L264-L268 WeakPolarHBondContact O-CG 3.33Å; L264-L268 PolarHBondContact O-N 2.97Å; V265-L268 PolarHBondContact O-N 3.48Å; L268-R270 PolarHBondContact O-N 3.35Å; L268-I271 PolarHBondContact O-N 3.44Å; L268-F272 HydrophobicContact CD2-CE2 4.15Å; L268-F272 VanDerWaalsContact O-CD2 3.26Å; L268-F272 WeakPolarHBondContact O-CD2 3.06Å; L268-F272 PolarHBondContact O-N 3.25Å; L268-V331 HydrophobicContact CB-CG1 4.39Å; L268-L365 HydrophobicContact CD1-CD2 3.48Å; L268-L365 VanDerWaalsContact CD1-CD2 3.48Å; L268-L365 HydrophobicContact CD1-CG 4.21Å; L268-L369 HydrophobicContact CD1-CD1 4.38Å; L268-L369 HydrophobicContact CD2-CD1 3.65Å
269S74.7Confident78Confident9 Ų938.5 Ų38.56%0.06319%0.189CC..Hα-helixtrans-57.1-38.9177.7750000112V265 S266 V267 N273 L274V265-S269 WeakPolarHBondContact O-CB 3.15Å; V265-S269 PolarHBondContact O-N 2.93Å; V265-S269 PolarHBondContact O-OG 2.91Å; S266-S269 PolarHBondContact O-N 3.48Å; S266-S269 PolarHBondContact O-OG 3.25Å; V267-S269 PolarHBondContact O-N 3.46Å; S269-N273 CarbonylContact O-C 3.54Å; S269-N273 PolarHBondContact O-N 3.12Å; S269-N273 VanDerWaalsContact O-N 3.12Å; S269-L274 WeakPolarHBondContact CB-O 3.23Å; S269-L274 PolarHBondContact O-N 3.3Å
270R72.6Confident78.4Confident107 Ų10739.5 Ų39.540%0.40420%0.195SC..Hα-helixtrans-75.8-37.5178.4-66.3171.2-179.7169-0.9112.7L199 S266 V267 L268 F272 N273L199-R270 HydrophobicContact CD1-CB 3.3Å; L199-R270 HydrophobicContact CD1-CG 4.36Å; L199-R270 HydrophobicContact CD2-CB 4.16Å; L199-R270 HydrophobicContact CG-CB 4.37Å; S266-R270 WeakPolarHBondContact O-CG 3.42Å; S266-R270 PolarHBondContact O-N 2.71Å; S266-R270 VanDerWaalsContact O-N 3.11Å; V267-R270 PolarHBondContact O-N 3.27Å; L268-R270 PolarHBondContact O-N 3.35Å; R270-F272 VanDerWaalsContact C-N 3.32Å; R270-F272 PolarHBondContact O-N 3.44Å; R270-N273 PolarHBondContact O-N 3.05Å
271I68.5Low78.9Confident26 Ų2642.2 Ų42.213%0.13320%0.202CC..Hα-helixtrans-60.3-45.1176.2-70.3169.2000110.5L199 L203 V267 L268 N273L199-I271 HydrophobicContact CB-CD1 4.08Å; L199-I271 HydrophobicContact CB-CG1 3.59Å; L199-I271 HydrophobicContact CD1-CG1 4.38Å; L203-I271 HydrophobicContact CB-CD1 3.97Å; L203-I271 HydrophobicContact CD2-CD1 3.71Å; L203-I271 HydrophobicContact CG-CD1 4.39Å; V267-I271 HydrophobicContact CG1-CD1 3.7Å; V267-I271 HydrophobicContact CG1-CG1 4.36Å; V267-I271 WeakPolarHBondContact O-CG1 3.4Å; V267-I271 PolarHBondContact O-N 3.45Å; L268-I271 PolarHBondContact O-N 3.44Å; I271-N273 VanDerWaalsContact C-N 3.29Å; I271-N273 PolarHBondContact O-N 3.2Å
272F69.7Low79Confident67 Ų6744.7 Ų44.729%0.29422%0.215SC..THydrogen-bonded Turntrans-87.56.7-179.3-66.6-70.1000113.6L268 R270 L274 I335 L369L268-F272 HydrophobicContact CD2-CE2 4.15Å; L268-F272 VanDerWaalsContact O-CD2 3.26Å; L268-F272 WeakPolarHBondContact O-CD2 3.06Å; L268-F272 PolarHBondContact O-N 3.25Å; R270-F272 VanDerWaalsContact C-N 3.32Å; R270-F272 PolarHBondContact O-N 3.44Å; F272-L274 HydrophobicContact CB-CD1 3.74Å; F272-L274 HydrophobicContact CB-CD2 4.41Å; F272-L274 HydrophobicContact CB-CG 3.63Å; F272-L274 PolarHBondContact O-N 3.36Å; F272-I335 HydrophobicContact CD1-CG1 4.17Å; F272-I335 HydrophobicContact CD2-CD1 3.66Å; F272-I335 HydrophobicContact CD2-CG1 3.88Å; F272-I335 HydrophobicContact CE1-CG1 4.35Å; F272-I335 HydrophobicContact CE1-CG2 4.41Å; F272-I335 HydrophobicContact CE2-CD1 3.6Å; F272-I335 HydrophobicContact CE2-CG1 4.09Å; F272-I335 HydrophobicContact CG-CD1 4.26Å; F272-I335 HydrophobicContact CG-CG1 3.95Å; F272-I335 HydrophobicContact CZ-CD1 4.15Å; F272-I335 HydrophobicContact CZ-CG1 4.34Å; F272-I335 HydrophobicContact CZ-CG2 4.49Å; F272-L369 HydrophobicContact CE1-CD2 4.44Å; F272-L369 HydrophobicContact CE2-CD1 4.12Å; F272-L369 HydrophobicContact CE2-CD2 3.86Å; F272-L369 HydrophobicContact CZ-CD1 4.48Å; F272-L369 HydrophobicContact CZ-CD2 3.43Å; F272-L369 VanDerWaalsContact CZ-CD2 3.43Å
273N73.5Confident78.9Confident136 Ų13648.1 Ų48.173%0.72723%0.23SC*.THydrogen-bonded Turntrans50.238.7-175.5-65.1-53.2000113.6S269 R270 I271S269-N273 CarbonylContact O-C 3.54Å; S269-N273 PolarHBondContact O-N 3.12Å; S269-N273 VanDerWaalsContact O-N 3.12Å; R270-N273 PolarHBondContact O-N 3.05Å; I271-N273 VanDerWaalsContact C-N 3.29Å; I271-N273 PolarHBondContact O-N 3.2Å
274L74.7Confident78.8Confident18 Ų1847.6 Ų47.69%0.09424%0.239CC..PPolyproline II helixtrans-94.4117.4179.9-56.8179000110.3S269 F272 L276 V331 R334 I335S269-L274 WeakPolarHBondContact CB-O 3.23Å; S269-L274 PolarHBondContact O-N 3.3Å; F272-L274 HydrophobicContact CB-CD1 3.74Å; F272-L274 HydrophobicContact CB-CD2 4.41Å; F272-L274 HydrophobicContact CB-CG 3.63Å; F272-L274 PolarHBondContact O-N 3.36Å; L274-L276 PolarHBondContact O-N 2.69Å; L274-V331 HydrophobicContact CD1-CB 4.5Å; L274-V331 HydrophobicContact CD1-CG1 4.34Å; L274-V331 HydrophobicContact CD1-CG2 4.34Å; L274-R334 HydrophobicContact CD1-CB 3.57Å; L274-R334 HydrophobicContact CD1-CG 4.22Å; L274-R334 HydrophobicContact CD2-CB 3.52Å; L274-R334 HydrophobicContact CD2-CG 3.85Å; L274-R334 HydrophobicContact CG-CB 4.17Å; L274-I335 HydrophobicContact CD1-CG1 4.35Å
275P81.3Confident78.7Confident93 Ų9349.3 Ų49.360%0.60425%0.251SS*.PPolyproline II helixtrans-69.4118.4168.828.1-32000109.3R277 Q330P275-R277 PolarHBondContact O-N 2.94Å; P275-Q330 PolarHBondContact O-NE2 3.07Å
276L82.7Confident78.7Confident29 Ų2955.5 Ų55.515%0.15228%0.275CS..PPolyproline II helixtrans-65.5130.4174.2-67.5177.9000110V265 L274 Y278 V280 N327 V331V265-L276 HydrophobicContact CG1-CD1 4.36Å; V265-L276 HydrophobicContact CG1-CD2 4.14Å; L274-L276 PolarHBondContact O-N 2.69Å; L276-Y278 VanDerWaalsContact C-N 3.26Å; L276-Y278 PolarHBondContact O-N 2.92Å; L276-V280 HydrophobicContact CD1-CG2 4.06Å; L276-N327 HydrophobicContact CD2-CB 4.08Å; L276-V331 HydrophobicContact CD2-CG2 4Å
277R85.5Confident78.9Confident135 Ų13555.2 Ų55.251%0.50927%0.273SS..SBendtrans-63.1-35.6177.4-178.9174-180170.42.8111.8P275 Y293P275-R277 PolarHBondContact O-N 2.94Å; R277-Y293 HydrophobicContact CG-CE2 3.63Å
278Y89.7Confident79.4Confident10 Ų1055.5 Ų55.54%0.03928%0.275CS..SBendtrans-116.598.2175.1-50-77.4000108.4L276 W290 D291 Y293 L323 K326 N327L276-Y278 VanDerWaalsContact C-N 3.26Å; L276-Y278 PolarHBondContact O-N 2.92Å; Y278-W290 CarbonylContact C-O 3.55Å; Y278-W290 WeakPolarHBondContact CA-O 3.26Å; Y278-D291 HydrophobicContact CD1-CB 4.42Å; Y278-Y293 HydrophobicContact CD1-CD2 4.46Å; Y278-Y293 AromaticContact CE1-CD2 3.96Å; Y278-Y293 HydrophobicContact CE1-CD2 3.96Å; Y278-Y293 HydrophobicContact CE1-CE2 4.4Å; Y278-L323 HydrophobicContact CD1-CD1 4.48Å; Y278-L323 HydrophobicContact CD1-CD2 3.78Å; Y278-L323 HydrophobicContact CD2-CD2 4.35Å; Y278-L323 HydrophobicContact CE1-CD2 3.7Å; Y278-L323 HydrophobicContact CE2-CD2 4.32Å; Y278-L323 HydrophobicContact CG-CB 4.3Å; Y278-L323 HydrophobicContact CG-CD2 4.09Å; Y278-K326 HydrophobicContact CD2-CB 4.03Å; Y278-K326 HydrophobicContact CE2-CB 3.6Å; Y278-K326 HydrophobicContact CE2-CD 3.65Å; Y278-K326 HydrophobicContact CE2-CG 4.29Å; Y278-K326 WeakPolarHBondContact OH-CD 3.41Å; Y278-N327 WeakPolarHBondContact CD2-OD1 3.45Å; Y278-N327 PolarHBondContact N-OD1 3.45Å; Y278-N327 VanDerWaalsContact N-OD1 3.07Å; Y278-N327 PolarHBondContact O-ND2 3.12Å; Y278-N327 PolarHBondContact O-OD1 2.82Å
279P87.6Confident80.2Confident48 Ų4855.5 Ų55.531%0.31228%0.275SS..  trans-59143.5-175.5-26.837.2000112.4W290P279-W290 HydrophobicContact CB-CE3 3.95Å; P279-W290 WeakPolarHBondContact CD-O 3.09Å; P279-W290 HydrophobicContact CG-CE3 3.65Å; P279-W290 HydrophobicContact CG-CZ3 4.11Å; P279-W290 PolarHBondContact O-N 3.36Å
280V86.3Confident80.9Confident23 Ų2360.6 Ų60.614%0.13929%0.293CS..EExtended strand (participates in β ladder)trans-109.3126.4-176.2-178.40000109.6A262 L276 L282 V289A262-V280 HydrophobicContact CB-CG1 3.75Å; L276-V280 HydrophobicContact CD1-CG2 4.06Å; V280-L282 HydrophobicContact CG1-CD2 3.85Å; V280-V289 HydrophobicContact CG2-CG2 4.4Å
281R84.1Confident81.6Confident121 Ų12155.8 Ų55.846%0.45728%0.276SS..EExtended strand (participates in β ladder)trans-94.8115172.5-165.8-179.7-68.2174-8.5109.7F283 S287 A288R281-F283 HydrophobicContact CG-CD2 3.87Å; R281-F283 HydrophobicContact CG-CE2 3.54Å; R281-F283 HydrophobicContact CG-CZ 4.14Å; R281-S287 WeakPolarHBondContact O-CA 3.45Å; R281-S287 WeakPolarHBondContact O-CB 3.41Å; R281-A288 PolarHBondContact N-O 2.87Å; R281-A288 PolarHBondContact O-N 3.13Å
282L81.2Confident82.3Confident51 Ų5157 Ų5727%0.26729%0.285SS..  trans-89.7115.6-173.8-60.1172.6000110.8A262 H263 V280A262-L282 HydrophobicContact CB-CD2 4.17Å; H263-L282 HydrophobicContact CB-CD2 4.15Å; V280-L282 HydrophobicContact CG1-CD2 3.85Å
283F81.7Confident83Confident72 Ų7260.4 Ų60.432%0.31630%0.297SS..  trans-139.238.6174.9-71.4-57.9000111.7R281 S285 R286 S287R281-F283 HydrophobicContact CG-CD2 3.87Å; R281-F283 HydrophobicContact CG-CE2 3.54Å; R281-F283 HydrophobicContact CG-CZ 4.14Å; F283-S285 PolarHBondContact O-N 3.39Å; F283-R286 HydrophobicContact CB-CB 4.08Å; F283-R286 PolarHBondContact O-N 2.9Å; F283-S287 PolarHBondContact N-OG 3.49Å
284G76.6Confident83.1Confident41 Ų4157.6 Ų57.642%0.42328%0.28SS..G310 helixtrans58.9-126.1-176.100000110.9G259 R286 S287G259-G284 VanDerWaalsContact CA-O 3.24Å; G259-G284 WeakPolarHBondContact CA-O 3.31Å; G284-R286 PolarHBondContact O-N 3.46Å; G284-R286 VanDerWaalsContact O-N 3.09Å; G284-S287 PolarHBondContact N-OG 3.01Å; G284-S287 WeakPolarHBondContact O-CB 3.5Å; G284-S287 PolarHBondContact O-N 2.98Å; G284-S287 PolarHBondContact O-OG 3.09Å
285S75Confident82.7Confident39 Ų3968.6 Ų68.627%0.27332%0.32SS..G310 helixtrans-63.7-10.6176.560.70000114.5S255 T256 F283 F308S255-S285 WeakPolarHBondContact CB-O 3.24Å; T256-S285 WeakPolarHBondContact OG1-CB 3.42Å; F283-S285 PolarHBondContact O-N 3.39Å; S285-F308 WeakPolarHBondContact O-CB 3.45Å
286R80.9Confident81.7Confident131 Ų13166.2 Ų66.249%0.49431%0.306SS..G310 helixtrans-107.622.3177.4-57.4-173.3-59.5168.63.9113.4F283 G284 F308F283-R286 HydrophobicContact CB-CB 4.08Å; F283-R286 PolarHBondContact O-N 2.9Å; G284-R286 PolarHBondContact O-N 3.46Å; G284-R286 VanDerWaalsContact O-N 3.09Å; R286-F308 HydrophobicContact CB-CD1 4.21Å; R286-F308 HydrophobicContact CB-CE1 4.09Å; R286-F308 WeakPolarHBondContact O-CE1 3.34Å
287S83.8Confident80.7Confident1 Ų174.6 Ų74.61%0.00734%0.344CS..  trans-62.9153.6-179.4-61.20000111.8R281 F283 G284 L307R281-S287 WeakPolarHBondContact O-CA 3.45Å; R281-S287 WeakPolarHBondContact O-CB 3.41Å; F283-S287 PolarHBondContact N-OG 3.49Å; G284-S287 PolarHBondContact N-OG 3.01Å; G284-S287 WeakPolarHBondContact O-CB 3.5Å; G284-S287 PolarHBondContact O-N 2.98Å; G284-S287 PolarHBondContact O-OG 3.09Å; S287-L307 WeakPolarHBondContact O-CB 3.5Å; S287-L307 PolarHBondContact O-N 3.46Å
288A85.5Confident79.4Confident8 Ų871.4 Ų71.47%0.06634%0.343CS..EExtended strand (participates in β ladder)trans-144.6154.6-177.600000111.3R281 I304 F305R281-A288 PolarHBondContact N-O 2.87Å; R281-A288 PolarHBondContact O-N 3.13Å; A288-I304 HydrophobicContact CB-CG2 3.67Å; A288-F305 CarbonylContact C-O 3.57Å; A288-F305 VanDerWaalsContact CA-O 3.26Å; A288-F305 WeakPolarHBondContact CA-O 3.26Å; A288-F305 WeakPolarHBondContact CB-O 3.45Å
289V88.9Confident78Confident1 Ų173.1 Ų73.11%0.00636%0.363CS..EExtended strand (participates in β ladder)trans-111.1138.9177.9-173.80000109.4V280 F305 L307 L323 L324V280-V289 HydrophobicContact CG2-CG2 4.4Å; V289-F305 PolarHBondContact N-O 3.22Å; V289-F305 PolarHBondContact O-N 3.44Å; V289-L307 HydrophobicContact CG2-CD1 3.92Å; V289-L307 HydrophobicContact CG2-CD2 3.92Å; V289-L307 HydrophobicContact CG2-CG 4.02Å; V289-L323 HydrophobicContact CB-CB 4.37Å; V289-L323 HydrophobicContact CG1-CB 3.72Å; V289-L323 HydrophobicContact CG1-CD1 4.11Å; V289-L324 HydrophobicContact CG2-CB 4.26Å
290W88.7Confident76.6Confident115 Ų11576.2 Ų76.244%0.43638%0.383SS..EExtended strand (participates in β ladder)trans-103129178.7-18042.3000110.8Y278 P279 P292 H303Y278-W290 CarbonylContact C-O 3.55Å; Y278-W290 WeakPolarHBondContact CA-O 3.26Å; P279-W290 HydrophobicContact CB-CE3 3.95Å; P279-W290 WeakPolarHBondContact CD-O 3.09Å; P279-W290 HydrophobicContact CG-CE3 3.65Å; P279-W290 HydrophobicContact CG-CZ3 4.11Å; P279-W290 PolarHBondContact O-N 3.36Å; W290-P292 HydrophobicContact CH2-CB 4.11Å; W290-P292 HydrophobicContact CZ2-CB 3.97Å; W290-P292 WeakPolarHBondContact O-CD 3.37Å; W290-H303 CarbonylContact C-O 3.54Å; W290-H303 WeakPolarHBondContact CA-O 3.49Å; W290-H303 AromaticContact NE1-CG 3.98Å
291D88.9Confident75.2Confident7 Ų782 Ų824%0.03740%0.402CS..  trans-102.699.7170.5-171.95.2000112Y278 Y293 M294 H303 F305 Y319 L323Y278-D291 HydrophobicContact CD1-CB 4.42Å; D291-Y293 PolarHBondContact O-N 3.22Å; D291-Y293 WeakPolarHBondContact OD1-CB 3.31Å; D291-Y293 PolarHBondContact OD1-N 3.5Å; D291-M294 HydrophobicContact CB-CB 4.39Å; D291-H303 PolarHBondContact N-O 3.01Å; D291-H303 WeakPolarHBondContact O-CB 3.29Å; D291-H303 PolarHBondContact O-ND1 3.02Å; D291-F305 HydrophobicContact CB-CD2 4.31Å; D291-F305 HydrophobicContact CB-CE2 3.78Å; D291-Y319 PolarHBondContact OD2-OH 3.13Å; D291-Y319 VanDerWaalsContact OD2-OH 3.06Å; D291-L323 HydrophobicContact CB-CD1 3.86Å
292P83.2Confident74.3Confident50 Ų5077.6 Ų77.633%0.32539%0.393SS..THydrogen-bonded Turntrans-71.9-9.4176.930.8-34.7000113.5W290W290-P292 HydrophobicContact CH2-CB 4.11Å; W290-P292 HydrophobicContact CZ2-CB 3.97Å; W290-P292 WeakPolarHBondContact O-CD 3.37Å
293Y82.6Confident74.4Confident140 Ų14076.6 Ų76.655%0.54939%0.386SS..THydrogen-bonded Turntrans-101.3-8-174.9-54.3-74000114.1R277 Y278 D291 R295R277-Y293 HydrophobicContact CG-CE2 3.63Å; Y278-Y293 HydrophobicContact CD1-CD2 4.46Å; Y278-Y293 AromaticContact CE1-CD2 3.96Å; Y278-Y293 HydrophobicContact CE1-CD2 3.96Å; Y278-Y293 HydrophobicContact CE1-CE2 4.4Å; D291-Y293 PolarHBondContact O-N 3.22Å; D291-Y293 WeakPolarHBondContact OD1-CB 3.31Å; D291-Y293 PolarHBondContact OD1-N 3.5Å; Y293-R295 PolarHBondContact O-N 2.99Å
294M77.2Confident74.5Confident76 Ų7675.3 Ų75.337%0.37438%0.382SS..  trans-63.4126.1177.5-161.9-177.4-163.200109.8D291 S296 H303 F305D291-M294 HydrophobicContact CB-CB 4.39Å; M294-S296 PolarHBondContact O-N 3.01Å; M294-H303 PolarHBondContact O-CE1 2.83Å; M294-F305 HydrophobicContact CE-CZ 4.27Å; M294-F305 HydrophobicContact SD-CE2 4.34Å; M294-F305 HydrophobicContact SD-CZ 3.61Å
295R64.9Low75.1Confident250 Ų25073.9 Ų73.994%0.94336%0.364SS*.  trans-86.480.8173-64.5-177.6-178.6-1510.5108.4Y293Y293-R295 PolarHBondContact O-N 2.99Å
296S61.9Low75.7Confident42 Ų4272.9 Ų72.929%0.29436%0.357SS..  trans-117.6132.5172-168.20000109.5M294 S298M294-S296 PolarHBondContact O-N 3.01Å; S296-S298 VanDerWaalsContact C-N 3.27Å; S296-S298 PolarHBondContact OG-OG 2.85Å
297E61.4Low76Confident205 Ų20566.7 Ų66.796%0.95833%0.334SS*.SBendtrans-77.3-17.2174.4-68.3177.6173.200112.1
298S56.8Low75.9Confident69 Ų6968.1 Ų68.148%0.48334%0.34SS..SBendtrans-73.1127.4169.757.50000108.8S296 A302S296-S298 VanDerWaalsContact C-N 3.27Å; S296-S298 PolarHBondContact OG-OG 2.85Å; S298-A302 WeakPolarHBondContact O-CB 3.21Å; S298-A302 WeakPolarHBondContact OG-CB 3.29Å
299G60.3Low75.5Confident46 Ų4669 Ų6947%0.47435%0.345SS..  trans-56.7-165.6-162.500000118.3R301 A302G299-R301 PolarHBondContact O-N 3.14Å; G299-A302 WeakPolarHBondContact O-CB 3.42Å; G299-A302 PolarHBondContact O-N 3.21Å
300P58.9Low74.7Confident112 Ų11275.2 Ų75.273%0.72737%0.369SS*.G310 helixtrans-57.7-19.5-16220-32.5000116.2
301R57.3Low73.3Confident144 Ų14478.8 Ų78.854%0.54339%0.39SS..G310 helixtrans-72.9-26.9174.1-75-174.8173139.910.7114.1G299 H303 I304 E453G299-R301 PolarHBondContact O-N 3.14Å; R301-H303 PolarHBondContact O-N 2.69Å; R301-I304 PolarHBondContact O-N 3.07Å; R301-I304 VanDerWaalsContact O-N 3.08Å; R301-E453 IonicContact CZ-OE2 3.24Å; R301-E453 PolarHBondContact NH1-O 2.84Å; R301-E453 VanDerWaalsContact NH2-CB 3.33Å; R301-E453 IonicContact NH2-OE2 3.34Å; R301-E453 PolarHBondContact NH2-OE2 3.14Å
302A65.6Low71.8Confident30 Ų3087.1 Ų87.125%0.24843%0.428CS..G310 helixtrans-64.6-11.2-179.600000113.4S298 G299S298-A302 WeakPolarHBondContact O-CB 3.21Å; S298-A302 WeakPolarHBondContact OG-CB 3.29Å; G299-A302 WeakPolarHBondContact O-CB 3.42Å; G299-A302 PolarHBondContact O-N 3.21Å
303H81.8Confident71.4Confident30 Ų3087.5 Ų87.514%0.13943%0.428CS..G310 helixtrans-95.5-5.4-180-59.5-93.9000113.3W290 D291 M294 R301 F305W290-H303 CarbonylContact C-O 3.54Å; W290-H303 WeakPolarHBondContact CA-O 3.49Å; W290-H303 AromaticContact NE1-CG 3.98Å; D291-H303 PolarHBondContact N-O 3.01Å; D291-H303 WeakPolarHBondContact O-CB 3.29Å; D291-H303 PolarHBondContact O-ND1 3.02Å; M294-H303 PolarHBondContact O-CE1 2.83Å; R301-H303 PolarHBondContact O-N 2.69Å; H303-F305 VanDerWaalsContact O-CD2 3.32Å; H303-F305 WeakPolarHBondContact O-CD2 3.31Å; H303-F305 VanDerWaalsContact O-CE2 3.31Å; H303-F305 WeakPolarHBondContact O-CE2 3.34Å
304I85.4Confident71.3Confident44 Ų4486.1 Ų86.123%0.22643%0.425CS..EExtended strand (participates in β ladder)trans-100.4118.9-175.2-57.9174.9000109.6A288 R301A288-I304 HydrophobicContact CB-CG2 3.67Å; R301-I304 PolarHBondContact O-N 3.07Å; R301-I304 VanDerWaalsContact O-N 3.08Å
305F88.8Confident71.6Confident11 Ų1189 Ų895%0.04844%0.441CS..EExtended strand (participates in β ladder)trans-110.4116-176.7-62-78.5000110.8A288 V289 D291 M294 H303 M316 Y319 L323A288-F305 CarbonylContact C-O 3.57Å; A288-F305 VanDerWaalsContact CA-O 3.26Å; A288-F305 WeakPolarHBondContact CA-O 3.26Å; A288-F305 WeakPolarHBondContact CB-O 3.45Å; V289-F305 PolarHBondContact N-O 3.22Å; V289-F305 PolarHBondContact O-N 3.44Å; D291-F305 HydrophobicContact CB-CD2 4.31Å; D291-F305 HydrophobicContact CB-CE2 3.78Å; M294-F305 HydrophobicContact CE-CZ 4.27Å; M294-F305 HydrophobicContact SD-CE2 4.34Å; M294-F305 HydrophobicContact SD-CZ 3.61Å; H303-F305 VanDerWaalsContact O-CD2 3.32Å; H303-F305 WeakPolarHBondContact O-CD2 3.31Å; H303-F305 VanDerWaalsContact O-CE2 3.31Å; H303-F305 WeakPolarHBondContact O-CE2 3.34Å; F305-M316 HydrophobicContact CD1-CB 4.09Å; F305-M316 HydrophobicContact CD1-CG 4.45Å; F305-Y319 AromaticContact CD1-CD1 3.52Å; F305-Y319 HydrophobicContact CD1-CD1 3.52Å; F305-Y319 HydrophobicContact CD1-CE1 4.34Å; F305-Y319 HydrophobicContact CD1-CG 4.4Å; F305-Y319 AromaticContact CD2-CD1 3.79Å; F305-Y319 HydrophobicContact CD2-CD1 3.79Å; F305-Y319 AromaticContact CD2-CE1 3.95Å; F305-Y319 HydrophobicContact CD2-CE1 3.95Å; F305-Y319 AromaticContact CE1-CD1 3.42Å; F305-Y319 HydrophobicContact CE1-CD1 3.42Å; F305-Y319 VanDerWaalsContact CE1-CD1 3.42Å; F305-Y319 AromaticContact CE1-CE1 3.94Å; F305-Y319 HydrophobicContact CE1-CE1 3.94Å; F305-Y319 HydrophobicContact CE1-CG 4.37Å; F305-Y319 AromaticContact CE2-CD1 3.71Å; F305-Y319 HydrophobicContact CE2-CD1 3.71Å; F305-Y319 AromaticContact CE2-CE1 3.53Å; F305-Y319 HydrophobicContact CE2-CE1 3.53Å; F305-Y319 AromaticContact CG-CD1 3.69Å; F305-Y319 HydrophobicContact CG-CD1 3.69Å; F305-Y319 HydrophobicContact CG-CE1 4.33Å; F305-Y319 AromaticContact CZ-CD1 3.51Å; F305-Y319 HydrophobicContact CZ-CD1 3.51Å; F305-Y319 AromaticContact CZ-CE1 3.52Å; F305-Y319 HydrophobicContact CZ-CE1 3.52Å; F305-L323 HydrophobicContact CD2-CD1 3.71Å; F305-L323 HydrophobicContact CE2-CD1 4.24Å; F305-L323 HydrophobicContact CG-CD1 4.39Å
306P87.7Confident72.6Confident18 Ų1881.4 Ų81.412%0.11742%0.417CS..EExtended strand (participates in β ladder)trans-69.7139.4-177.828.9-34000111.5F308 F317P306-F308 HydrophobicContact CB-CD1 3.69Å; P306-F308 HydrophobicContact CB-CD2 4.32Å; P306-F308 HydrophobicContact CB-CE1 3.39Å; P306-F308 HydrophobicContact CB-CE2 4.04Å; P306-F308 HydrophobicContact CB-CG 4.16Å; P306-F308 HydrophobicContact CB-CZ 3.59Å; P306-F308 PolarHBondContact O-N 3.3Å; P306-F317 WeakPolarHBondContact O-CA 3.35Å
307L85.6Confident73.7Confident1 Ų179.9 Ų79.91%0.00541%0.405CS..SBendtrans-90.619.1169.9-61.8175.1000112.2L258 A262 S287 V289 F317 G320 V321 L324L258-L307 HydrophobicContact CB-CB 4.26Å; L258-L307 WeakPolarHBondContact CD1-O 3.36Å; A262-L307 HydrophobicContact CB-CD1 3.78Å; S287-L307 WeakPolarHBondContact O-CB 3.5Å; S287-L307 PolarHBondContact O-N 3.46Å; V289-L307 HydrophobicContact CG2-CD1 3.92Å; V289-L307 HydrophobicContact CG2-CD2 3.92Å; V289-L307 HydrophobicContact CG2-CG 4.02Å; L307-F317 WeakPolarHBondContact O-CE2 3.24Å; L307-G320 VanDerWaalsContact CD2-C 3.48Å; L307-G320 WeakPolarHBondContact CD2-O 3.26Å; L307-V321 HydrophobicContact CD2-CG2 4.27Å; L307-L324 HydrophobicContact CD1-CD2 4.04Å; L307-L324 HydrophobicContact CD2-CB 4.35Å; L307-L324 HydrophobicContact CD2-CD2 4.32Å
308F83.5Confident74.8Confident32 Ų3274.3 Ų74.314%0.1438%0.379CS..SBendtrans-127.5140.5176.358.5-87.7000109.3S255 S285 R286 P306 R310S255-F308 VanDerWaalsContact OG-CA 3.25Å; S255-F308 WeakPolarHBondContact OG-CA 3.33Å; S255-F308 VanDerWaalsContact OG-CB 3.31Å; S255-F308 WeakPolarHBondContact OG-CB 3.44Å; S285-F308 WeakPolarHBondContact O-CB 3.45Å; R286-F308 HydrophobicContact CB-CD1 4.21Å; R286-F308 HydrophobicContact CB-CE1 4.09Å; R286-F308 WeakPolarHBondContact O-CE1 3.34Å; P306-F308 HydrophobicContact CB-CD1 3.69Å; P306-F308 HydrophobicContact CB-CD2 4.32Å; P306-F308 HydrophobicContact CB-CE1 3.39Å; P306-F308 HydrophobicContact CB-CE2 4.04Å; P306-F308 HydrophobicContact CB-CG 4.16Å; P306-F308 HydrophobicContact CB-CZ 3.59Å; P306-F308 PolarHBondContact O-N 3.3Å; F308-R310 HydrophobicContact CD2-CG 4.14Å; F308-R310 HydrophobicContact CE2-CG 3.94Å; F308-R310 PolarHBondContact O-N 3.04Å
309S75.3Confident76.3Confident25 Ų2574.7 Ų74.718%0.17537%0.371CS..  trans-82.7116.1-179.922.90000109.7H251H251-S309 WeakPolarHBondContact CB-OG 3.35Å; H251-S309 WeakPolarHBondContact ND1-CB 3.45Å; H251-S309 PolarHBondContact ND1-OG 2.98Å
310R72.1Confident77.6Confident133 Ų13372.5 Ų72.550%0.50235%0.348SS..  trans-96.3152.9156.7-77.2-176176.4138.9-3.8108.7F308 Q312 D313F308-R310 HydrophobicContact CD2-CG 4.14Å; F308-R310 HydrophobicContact CE2-CG 3.94Å; F308-R310 PolarHBondContact O-N 3.04Å; R310-Q312 PolarHBondContact O-N 3.44Å; R310-D313 PolarHBondContact O-N 3.34Å
311H60.1Low78.9Confident189 Ų18967.3 Ų67.388%0.87532%0.315SS*.THydrogen-bonded Turntrans-59.1-22.8-175.5-65.736.9000112.8
312Q58Low80.3Confident182 Ų18264.1 Ų64.185%0.8531%0.305SS*.THydrogen-bonded Turntrans-98.2-15.6-174.7-69.8176.83.100115.1R310R310-Q312 PolarHBondContact O-N 3.44Å
313D74.3Confident81.4Confident59 Ų5962.7 Ų62.732%0.31629%0.293SS..  trans-124.244-167.3-63.1-38.6000114.3R310 L315 M316 F317R310-D313 PolarHBondContact O-N 3.34Å; D313-L315 VanDerWaalsContact C-N 3.32Å; D313-L315 PolarHBondContact O-N 2.89Å; D313-M316 HydrophobicContact CB-CB 4.22Å; D313-M316 HydrophobicContact CB-CG 4.42Å; D313-M316 HydrophobicContact CB-SD 4.42Å; D313-M316 PolarHBondContact O-N 3.13Å; D313-F317 PolarHBondContact O-N 3.1Å
314K81.1Confident81.6Confident110 Ų11061.2 Ų61.248%0.47829%0.286SS..Hα-helixtrans-56.2-43.2-178.4-174.8-178.7169.4-167.20112.9F317 E318K314-F317 WeakPolarHBondContact O-CB 3.46Å; K314-F317 PolarHBondContact O-N 2.99Å; K314-E318 WeakPolarHBondContact CE-OE1 3.48Å; K314-E318 IonicContact NZ-OE1 2.88Å; K314-E318 WeakPolarHBondContact O-CG 3.37Å; K314-E318 PolarHBondContact O-N 3.04Å
315L82.7Confident81.6Confident138 Ų13859.2 Ų59.272%0.72328%0.276SS*.Hα-helixtrans-66-40.1-179.5-68.1173.7000112.5D313 F317 E318 Y319D313-L315 VanDerWaalsContact C-N 3.32Å; D313-L315 PolarHBondContact O-N 2.89Å; L315-F317 VanDerWaalsContact C-N 3.32Å; L315-E318 PolarHBondContact O-N 3.23Å; L315-Y319 WeakPolarHBondContact O-CB 3.44Å; L315-Y319 PolarHBondContact O-N 3.32Å
316M85.2Confident81.4Confident90 Ų9062 Ų6244%0.44329%0.288SS..Hα-helixtrans-67.2-37.5176.8-63.5-169.1179.600111.4F305 D313 G320F305-M316 HydrophobicContact CD1-CB 4.09Å; F305-M316 HydrophobicContact CD1-CG 4.45Å; D313-M316 HydrophobicContact CB-CB 4.22Å; D313-M316 HydrophobicContact CB-CG 4.42Å; D313-M316 HydrophobicContact CB-SD 4.42Å; D313-M316 PolarHBondContact O-N 3.13Å; M316-G320 PolarHBondContact O-N 2.91Å
317F86.1Confident81.3Confident10 Ų1061.2 Ų61.24%0.04428%0.282CS..Hα-helixtrans-63-50174.2167.9-103.5000112Y246 V254 L258 P306 L307 D313 K314 L315 Y319 G320 V321Y246-F317 AromaticContact CD2-CE1 3.65Å; Y246-F317 HydrophobicContact CD2-CE1 3.65Å; Y246-F317 AromaticContact CD2-CZ 3.66Å; Y246-F317 HydrophobicContact CD2-CZ 3.66Å; Y246-F317 HydrophobicContact CE2-CE1 4.39Å; Y246-F317 HydrophobicContact CE2-CZ 4.1Å; Y246-F317 HydrophobicContact CG-CE1 4.4Å; Y246-F317 HydrophobicContact CG-CZ 4.37Å; V254-F317 HydrophobicContact CG1-CZ 4.17Å; L258-F317 HydrophobicContact CD1-CE2 3.61Å; L258-F317 HydrophobicContact CD1-CZ 3.79Å; P306-F317 WeakPolarHBondContact O-CA 3.35Å; L307-F317 WeakPolarHBondContact O-CE2 3.24Å; D313-F317 PolarHBondContact O-N 3.1Å; K314-F317 WeakPolarHBondContact O-CB 3.46Å; K314-F317 PolarHBondContact O-N 2.99Å; L315-F317 VanDerWaalsContact C-N 3.32Å; F317-Y319 VanDerWaalsContact C-N 3.29Å; F317-Y319 PolarHBondContact O-N 3.29Å; F317-G320 PolarHBondContact O-N 3.21Å; F317-G320 VanDerWaalsContact O-N 3.16Å; F317-V321 HydrophobicContact CD2-CG2 4.41Å; F317-V321 HydrophobicContact CE1-CG2 4.43Å; F317-V321 HydrophobicContact CE2-CG2 3.98Å; F317-V321 HydrophobicContact CZ-CG2 3.99Å; F317-V321 WeakPolarHBondContact O-CG2 3.38Å; F317-V321 PolarHBondContact O-N 2.98Å
318E84.7Confident81.2Confident87 Ų8761.2 Ų61.241%0.40728%0.282SS..Hα-helixtrans-59.5-40.9177.1-74176.4174.400111.7K314 L315 V321 F322K314-E318 WeakPolarHBondContact CE-OE1 3.48Å; K314-E318 IonicContact NZ-OE1 2.88Å; K314-E318 WeakPolarHBondContact O-CG 3.37Å; K314-E318 PolarHBondContact O-N 3.04Å; L315-E318 PolarHBondContact O-N 3.23Å; E318-V321 PolarHBondContact O-N 3.3Å; E318-F322 PolarHBondContact O-N 3.47Å
319Y86.8Confident81Confident77 Ų7760.9 Ų60.930%0.30229%0.286SS..Hα-helixtrans-65.8-41.7174.7-169.7-108.4000112.5D291 F305 L315 F317 V321 F322 L323D291-Y319 PolarHBondContact OD2-OH 3.13Å; D291-Y319 VanDerWaalsContact OD2-OH 3.06Å; F305-Y319 AromaticContact CD1-CD1 3.52Å; F305-Y319 HydrophobicContact CD1-CD1 3.52Å; F305-Y319 HydrophobicContact CD1-CE1 4.34Å; F305-Y319 HydrophobicContact CD1-CG 4.4Å; F305-Y319 AromaticContact CD2-CD1 3.79Å; F305-Y319 HydrophobicContact CD2-CD1 3.79Å; F305-Y319 AromaticContact CD2-CE1 3.95Å; F305-Y319 HydrophobicContact CD2-CE1 3.95Å; F305-Y319 AromaticContact CE1-CD1 3.42Å; F305-Y319 HydrophobicContact CE1-CD1 3.42Å; F305-Y319 VanDerWaalsContact CE1-CD1 3.42Å; F305-Y319 AromaticContact CE1-CE1 3.94Å; F305-Y319 HydrophobicContact CE1-CE1 3.94Å; F305-Y319 HydrophobicContact CE1-CG 4.37Å; F305-Y319 AromaticContact CE2-CD1 3.71Å; F305-Y319 HydrophobicContact CE2-CD1 3.71Å; F305-Y319 AromaticContact CE2-CE1 3.53Å; F305-Y319 HydrophobicContact CE2-CE1 3.53Å; F305-Y319 AromaticContact CG-CD1 3.69Å; F305-Y319 HydrophobicContact CG-CD1 3.69Å; F305-Y319 HydrophobicContact CG-CE1 4.33Å; F305-Y319 AromaticContact CZ-CD1 3.51Å; F305-Y319 HydrophobicContact CZ-CD1 3.51Å; F305-Y319 AromaticContact CZ-CE1 3.52Å; F305-Y319 HydrophobicContact CZ-CE1 3.52Å; L315-Y319 WeakPolarHBondContact O-CB 3.44Å; L315-Y319 PolarHBondContact O-N 3.32Å; F317-Y319 VanDerWaalsContact C-N 3.29Å; F317-Y319 PolarHBondContact O-N 3.29Å; Y319-V321 VanDerWaalsContact C-N 3.33Å; Y319-V321 PolarHBondContact O-N 3.34Å; Y319-F322 HydrophobicContact CD2-CD1 4.17Å; Y319-F322 HydrophobicContact CE2-CD1 4.09Å; Y319-F322 HydrophobicContact CE2-CE1 4.36Å; Y319-F322 WeakPolarHBondContact O-CB 3.46Å; Y319-F322 PolarHBondContact O-N 3.07Å; Y319-F322 VanDerWaalsContact O-N 3.15Å; Y319-L323 HydrophobicContact CD1-CD1 3.93Å; Y319-L323 HydrophobicContact CD1-CG 4.17Å; Y319-L323 HydrophobicContact CE1-CD1 3.61Å; Y319-L323 HydrophobicContact CE1-CD2 4.08Å; Y319-L323 HydrophobicContact CE1-CG 3.91Å; Y319-L323 HydrophobicContact CE2-CD2 4.49Å; Y319-L323 WeakPolarHBondContact O-CG 3.33Å; Y319-L323 PolarHBondContact O-N 3.44Å
320G88.7Confident81.3Confident0 Ų061.4 Ų61.40%029%0.286CS..Hα-helixtrans-59-43175.300000112.7L307 M316 F317 L323 L324L307-G320 VanDerWaalsContact CD2-C 3.48Å; L307-G320 WeakPolarHBondContact CD2-O 3.26Å; M316-G320 PolarHBondContact O-N 2.91Å; F317-G320 PolarHBondContact O-N 3.21Å; F317-G320 VanDerWaalsContact O-N 3.16Å; G320-L323 PolarHBondContact O-N 3.16Å; G320-L324 PolarHBondContact O-N 3.27Å
321V86.6Confident81.4Confident4 Ų455.1 Ų55.12%0.02426%0.262CS..Hα-helixtrans-63-42.8174.3174.30000111.1A243 Y246 L258 L307 F317 E318 Y319 L323 L324 N325 T358A243-V321 HydrophobicContact CB-CG1 4.29Å; Y246-V321 HydrophobicContact CE2-CG1 4.15Å; Y246-V321 HydrophobicContact CE2-CG2 4.11Å; L258-V321 HydrophobicContact CD1-CG2 3.81Å; L258-V321 HydrophobicContact CD2-CG2 4.38Å; L307-V321 HydrophobicContact CD2-CG2 4.27Å; F317-V321 HydrophobicContact CD2-CG2 4.41Å; F317-V321 HydrophobicContact CE1-CG2 4.43Å; F317-V321 HydrophobicContact CE2-CG2 3.98Å; F317-V321 HydrophobicContact CZ-CG2 3.99Å; F317-V321 WeakPolarHBondContact O-CG2 3.38Å; F317-V321 PolarHBondContact O-N 2.98Å; E318-V321 PolarHBondContact O-N 3.3Å; Y319-V321 VanDerWaalsContact C-N 3.33Å; Y319-V321 PolarHBondContact O-N 3.34Å; V321-L323 PolarHBondContact O-N 3.01Å; V321-L324 WeakPolarHBondContact O-CB 3.42Å; V321-L324 PolarHBondContact O-N 2.99Å; V321-N325 PolarHBondContact O-N 3.42Å; V321-N325 PolarHBondContact O-ND2 3.47Å; V321-T358 HydrophobicContact CG1-CG2 3.53Å
322F85.5Confident81.9Confident76 Ų7647 Ų4733%0.33322%0.224SC..Hα-helixtrans-59.8-42.9175.9169.9-104.2000112.8E318 Y319 N325 K326 L355E318-F322 PolarHBondContact O-N 3.47Å; Y319-F322 HydrophobicContact CD2-CD1 4.17Å; Y319-F322 HydrophobicContact CE2-CD1 4.09Å; Y319-F322 HydrophobicContact CE2-CE1 4.36Å; Y319-F322 WeakPolarHBondContact O-CB 3.46Å; Y319-F322 PolarHBondContact O-N 3.07Å; Y319-F322 VanDerWaalsContact O-N 3.15Å; F322-N325 PolarHBondContact O-N 3.42Å; F322-K326 HydrophobicContact CE1-CD 4.06Å; F322-K326 VanDerWaalsContact CE1-CE 3.43Å; F322-K326 HydrophobicContact CZ-CD 4.21Å; F322-K326 HydrophobicContact CZ-CG 4.5Å; F322-K326 PolarHBondContact O-N 2.88Å; F322-L355 HydrophobicContact CE2-CD1 4.15Å
323L89.1Confident82.5Confident0 Ų044 Ų440%021%0.214CC..Hα-helixtrans-65.1-39.7175.8-65.3-179.4000112.2Y278 V289 D291 F305 Y319 G320 V321 N325 K326 N327Y278-L323 HydrophobicContact CD1-CD1 4.48Å; Y278-L323 HydrophobicContact CD1-CD2 3.78Å; Y278-L323 HydrophobicContact CD2-CD2 4.35Å; Y278-L323 HydrophobicContact CE1-CD2 3.7Å; Y278-L323 HydrophobicContact CE2-CD2 4.32Å; Y278-L323 HydrophobicContact CG-CB 4.3Å; Y278-L323 HydrophobicContact CG-CD2 4.09Å; V289-L323 HydrophobicContact CB-CB 4.37Å; V289-L323 HydrophobicContact CG1-CB 3.72Å; V289-L323 HydrophobicContact CG1-CD1 4.11Å; D291-L323 HydrophobicContact CB-CD1 3.86Å; F305-L323 HydrophobicContact CD2-CD1 3.71Å; F305-L323 HydrophobicContact CE2-CD1 4.24Å; F305-L323 HydrophobicContact CG-CD1 4.39Å; Y319-L323 HydrophobicContact CD1-CD1 3.93Å; Y319-L323 HydrophobicContact CD1-CG 4.17Å; Y319-L323 HydrophobicContact CE1-CD1 3.61Å; Y319-L323 HydrophobicContact CE1-CD2 4.08Å; Y319-L323 HydrophobicContact CE1-CG 3.91Å; Y319-L323 HydrophobicContact CE2-CD2 4.49Å; Y319-L323 WeakPolarHBondContact O-CG 3.33Å; Y319-L323 PolarHBondContact O-N 3.44Å; G320-L323 PolarHBondContact O-N 3.16Å; V321-L323 PolarHBondContact O-N 3.01Å; L323-N325 VanDerWaalsContact C-N 3.29Å; L323-N325 PolarHBondContact O-N 3.49Å; L323-K326 WeakPolarHBondContact O-CB 3.45Å; L323-K326 PolarHBondContact O-N 3.2Å; L323-N327 PolarHBondContact O-N 3.41Å
324L87.3Confident82.2Confident0 Ų047.1 Ų47.10%022%0.221CC..Hα-helixtrans-59.1-42.3174.1-179.162.9000111.1L258 T261 A262 V265 V289 L307 G320 V321 N327 I328L258-L324 HydrophobicContact CD2-CD2 4.32Å; T261-L324 HydrophobicContact CG2-CD2 4.2Å; A262-L324 HydrophobicContact CB-CD1 4.35Å; V265-L324 HydrophobicContact CG2-CD1 4.36Å; V289-L324 HydrophobicContact CG2-CB 4.26Å; L307-L324 HydrophobicContact CD1-CD2 4.04Å; L307-L324 HydrophobicContact CD2-CB 4.35Å; L307-L324 HydrophobicContact CD2-CD2 4.32Å; G320-L324 PolarHBondContact O-N 3.27Å; V321-L324 WeakPolarHBondContact O-CB 3.42Å; V321-L324 PolarHBondContact O-N 2.99Å; L324-N327 WeakPolarHBondContact O-CB 3.41Å; L324-N327 PolarHBondContact O-N 2.96Å; L324-N327 VanDerWaalsContact O-N 3.16Å; L324-I328 HydrophobicContact CG-CD1 4.31Å; L324-I328 WeakPolarHBondContact O-CG1 3.42Å; L324-I328 PolarHBondContact O-N 3.34Å
325N85Confident81.5Confident1 Ų141.9 Ų41.91%0.00520%0.198CC..Hα-helixtrans-68.1-34176.9-69.4-28.5000113.1V321 F322 L323 N327 I328 A329 L355 T358V321-N325 PolarHBondContact O-N 3.42Å; V321-N325 PolarHBondContact O-ND2 3.47Å; F322-N325 PolarHBondContact O-N 3.42Å; L323-N325 VanDerWaalsContact C-N 3.29Å; L323-N325 PolarHBondContact O-N 3.49Å; N325-N327 VanDerWaalsContact C-N 3.31Å; N325-N327 PolarHBondContact O-N 3.34Å; N325-I328 PolarHBondContact O-N 3.04Å; N325-I328 WeakPolarHBondContact OD1-CD1 3.43Å; N325-A329 PolarHBondContact O-N 2.94Å; N325-L355 HydrophobicContact CB-CD2 4Å; N325-L355 WeakPolarHBondContact CB-O 3.37Å; N325-L355 VanDerWaalsContact CG-O 3.25Å; N325-L355 PolarHBondContact ND2-O 3.46Å; N325-T358 WeakPolarHBondContact ND2-CG2 3.31Å; N325-T358 VanDerWaalsContact OD1-CA 3.26Å; N325-T358 WeakPolarHBondContact OD1-CA 3.45Å; N325-T358 WeakPolarHBondContact OD1-CB 3.49Å; N325-T358 WeakPolarHBondContact OD1-CG2 3.47Å
326K84.8Confident80.2Confident71 Ų7135.9 Ų35.931%0.30917%0.17SC..Hα-helixtrans-62.1-38.2169.7-76.2-168169.6173.10112.7Y278 F322 L323 A329 Q330 L355Y278-K326 HydrophobicContact CD2-CB 4.03Å; Y278-K326 HydrophobicContact CE2-CB 3.6Å; Y278-K326 HydrophobicContact CE2-CD 3.65Å; Y278-K326 HydrophobicContact CE2-CG 4.29Å; Y278-K326 WeakPolarHBondContact OH-CD 3.41Å; F322-K326 HydrophobicContact CE1-CD 4.06Å; F322-K326 VanDerWaalsContact CE1-CE 3.43Å; F322-K326 HydrophobicContact CZ-CD 4.21Å; F322-K326 HydrophobicContact CZ-CG 4.5Å; F322-K326 PolarHBondContact O-N 2.88Å; L323-K326 WeakPolarHBondContact O-CB 3.45Å; L323-K326 PolarHBondContact O-N 3.2Å; K326-A329 PolarHBondContact O-N 2.9Å; K326-Q330 WeakPolarHBondContact O-CB 3.42Å; K326-Q330 PolarHBondContact O-N 3.2Å; K326-L355 HydrophobicContact CG-CD2 4.43Å
327N85.4Confident78.8Confident0 Ų035.2 Ų35.20%018%0.178CC..Hα-helixtrans-65.2-41.5173.6-76.5-28.5000111.8V265 L276 Y278 L323 L324 N325 Q330 V331V265-N327 HydrophobicContact CG1-CB 4.17Å; L276-N327 HydrophobicContact CD2-CB 4.08Å; Y278-N327 WeakPolarHBondContact CD2-OD1 3.45Å; Y278-N327 PolarHBondContact N-OD1 3.45Å; Y278-N327 VanDerWaalsContact N-OD1 3.07Å; Y278-N327 PolarHBondContact O-ND2 3.12Å; Y278-N327 PolarHBondContact O-OD1 2.82Å; L323-N327 PolarHBondContact O-N 3.41Å; L324-N327 WeakPolarHBondContact O-CB 3.41Å; L324-N327 PolarHBondContact O-N 2.96Å; L324-N327 VanDerWaalsContact O-N 3.16Å; N325-N327 VanDerWaalsContact C-N 3.31Å; N325-N327 PolarHBondContact O-N 3.34Å; N327-Q330 WeakPolarHBondContact O-CB 3.39Å; N327-Q330 PolarHBondContact O-N 2.99Å; N327-V331 WeakPolarHBondContact O-CG2 3.48Å; N327-V331 PolarHBondContact O-N 3.32Å
328I82Confident77.1Confident1 Ų137.2 Ų37.21%0.00519%0.191CC..Hα-helixtrans-59.5-48.4176.2-67.1160.5000110.1T261 V265 L324 N325 Q330 V331 Y332 N361 V362T261-I328 HydrophobicContact CG2-CD1 4.29Å; V265-I328 HydrophobicContact CG2-CD1 4.13Å; V265-I328 HydrophobicContact CG2-CG1 3.49Å; V265-I328 VanDerWaalsContact CG2-CG1 3.49Å; L324-I328 HydrophobicContact CG-CD1 4.31Å; L324-I328 WeakPolarHBondContact O-CG1 3.42Å; L324-I328 PolarHBondContact O-N 3.34Å; N325-I328 PolarHBondContact O-N 3.04Å; N325-I328 WeakPolarHBondContact OD1-CD1 3.43Å; I328-Q330 VanDerWaalsContact C-N 3.31Å; I328-Q330 PolarHBondContact O-N 3.49Å; I328-V331 PolarHBondContact O-N 3.44Å; I328-V331 VanDerWaalsContact O-N 3.16Å; I328-Y332 PolarHBondContact O-N 3.21Å; I328-N361 HydrophobicContact CG2-CB 3.84Å; I328-V362 HydrophobicContact CD1-CG2 3.74Å; I328-V362 HydrophobicContact CG1-CG2 4.3Å
329A79.7Confident75.4Confident26 Ų2640.8 Ų40.822%0.21521%0.213CC..Hα-helixtrans-60.2-39.1176.200000112.3N325 K326 Y332 D333 T352 L355N325-A329 PolarHBondContact O-N 2.94Å; K326-A329 PolarHBondContact O-N 2.9Å; A329-Y332 WeakPolarHBondContact O-CB 3.44Å; A329-Y332 PolarHBondContact O-N 3.48Å; A329-D333 PolarHBondContact O-N 3.32Å; A329-T352 HydrophobicContact CB-CG2 4.08Å; A329-L355 HydrophobicContact CB-CD2 4.42Å
330Q81.5Confident73.6Confident36 Ų3646.2 Ų46.217%0.16824%0.239CC..Hα-helixtrans-62.9-42.7174.8-178-166-9.400112.1P275 K326 N327 I328 Y332 D333 R334P275-Q330 PolarHBondContact O-NE2 3.07Å; K326-Q330 WeakPolarHBondContact O-CB 3.42Å; K326-Q330 PolarHBondContact O-N 3.2Å; N327-Q330 WeakPolarHBondContact O-CB 3.39Å; N327-Q330 PolarHBondContact O-N 2.99Å; I328-Q330 VanDerWaalsContact C-N 3.31Å; I328-Q330 PolarHBondContact O-N 3.49Å; Q330-Y332 VanDerWaalsContact C-N 3.32Å; Q330-D333 WeakPolarHBondContact O-CA 3.45Å; Q330-D333 PolarHBondContact O-N 2.86Å; Q330-R334 HydrophobicContact CG-CG 4.44Å; Q330-R334 VanDerWaalsContact O-CG 3.26Å; Q330-R334 WeakPolarHBondContact O-CG 3.45Å; Q330-R334 PolarHBondContact O-N 2.88Å
331V75.2Confident71.3Confident1 Ų148 Ų481%0.00625%0.248CC..Hα-helixtrans-63.4-43.6178.8169.50000109.9L268 L274 L276 N327 I328 R334 I335 L365L268-V331 HydrophobicContact CB-CG1 4.39Å; L274-V331 HydrophobicContact CD1-CB 4.5Å; L274-V331 HydrophobicContact CD1-CG1 4.34Å; L274-V331 HydrophobicContact CD1-CG2 4.34Å; L276-V331 HydrophobicContact CD2-CG2 4Å; N327-V331 WeakPolarHBondContact O-CG2 3.48Å; N327-V331 PolarHBondContact O-N 3.32Å; I328-V331 PolarHBondContact O-N 3.44Å; I328-V331 VanDerWaalsContact O-N 3.16Å; V331-R334 PolarHBondContact O-N 2.95Å; V331-I335 HydrophobicContact CG1-CD1 3.45Å; V331-I335 VanDerWaalsContact CG1-CD1 3.45Å; V331-I335 HydrophobicContact CG1-CG1 4.33Å; V331-I335 WeakPolarHBondContact O-CD1 3.36Å; V331-I335 WeakPolarHBondContact O-CG1 3.36Å; V331-I335 PolarHBondContact O-N 3.42Å; V331-L365 HydrophobicContact CG1-CD1 4.2Å; V331-L365 HydrophobicContact CG1-CD2 4.07Å
332Y70Confident69.1Low17 Ų1752.2 Ų52.27%0.06728%0.276CS..Hα-helixtrans-58-51.9174.4-157.9-123.1000111.7I328 A329 Q330 R334 I335 G336 L348 L365I328-Y332 PolarHBondContact O-N 3.21Å; A329-Y332 WeakPolarHBondContact O-CB 3.44Å; A329-Y332 PolarHBondContact O-N 3.48Å; Q330-Y332 VanDerWaalsContact C-N 3.32Å; Y332-R334 PolarHBondContact O-N 2.91Å; Y332-I335 PolarHBondContact O-N 2.95Å; Y332-G336 PolarHBondContact O-N 3.21Å; Y332-L348 HydrophobicContact CD1-CD2 3.18Å; Y332-L348 HydrophobicContact CD1-CG 3.62Å; Y332-L348 HydrophobicContact CD2-CD2 3.61Å; Y332-L348 HydrophobicContact CD2-CG 4.3Å; Y332-L348 HydrophobicContact CE1-CB 4.22Å; Y332-L348 HydrophobicContact CE1-CD1 3.84Å; Y332-L348 HydrophobicContact CE1-CD2 3.29Å; Y332-L348 HydrophobicContact CE1-CG 3.13Å; Y332-L348 HydrophobicContact CE2-CD1 3.75Å; Y332-L348 HydrophobicContact CE2-CD2 3.63Å; Y332-L348 HydrophobicContact CE2-CG 3.83Å; Y332-L348 HydrophobicContact CG-CD2 3.36Å; Y332-L348 HydrophobicContact CG-CG 4.19Å; Y332-L348 VanDerWaalsContact CZ-CD2 3.45Å; Y332-L348 WeakPolarHBondContact O-CD2 3.42Å; Y332-L348 WeakPolarHBondContact OH-CD1 3.32Å; Y332-L348 WeakPolarHBondContact OH-CG 3.5Å; Y332-L365 HydrophobicContact CD2-CB 4.38Å; Y332-L365 HydrophobicContact CD2-CD1 3.9Å
333D70.4Confident67.4Low120 Ų12053.3 Ų53.364%0.64229%0.285SS*.Hα-helixtrans-28.5-68.8162.3165.9130.3000114.6A329 Q330 A337A329-D333 PolarHBondContact O-N 3.32Å; Q330-D333 WeakPolarHBondContact O-CA 3.45Å; Q330-D333 PolarHBondContact O-N 2.86Å; D333-A337 PolarHBondContact O-N 2.91Å
334R69.3Low65.1Low124 Ų12453.7 Ų53.747%0.46829%0.287SS..Hα-helixtrans-73.3-37.6-169.3-70.3-88.8-173.7166.9-4.6113.1L274 Q330 V331 Y332 G336 A337 T338L274-R334 HydrophobicContact CD1-CB 3.57Å; L274-R334 HydrophobicContact CD1-CG 4.22Å; L274-R334 HydrophobicContact CD2-CB 3.52Å; L274-R334 HydrophobicContact CD2-CG 3.85Å; L274-R334 HydrophobicContact CG-CB 4.17Å; Q330-R334 HydrophobicContact CG-CG 4.44Å; Q330-R334 VanDerWaalsContact O-CG 3.26Å; Q330-R334 WeakPolarHBondContact O-CG 3.45Å; Q330-R334 PolarHBondContact O-N 2.88Å; V331-R334 PolarHBondContact O-N 2.95Å; Y332-R334 PolarHBondContact O-N 2.91Å; R334-G336 VanDerWaalsContact C-N 3.33Å; R334-A337 PolarHBondContact O-N 3.44Å; R334-T338 PolarHBondContact O-N 2.89Å
335I65.4Low63Low1 Ų163.3 Ų63.31%0.00532%0.323CS..Hα-helixtrans-67-40.3179.8-63.1163000109.3F272 L274 V331 Y332 A337 T338 L344 L365 L369F272-I335 HydrophobicContact CD1-CG1 4.17Å; F272-I335 HydrophobicContact CD2-CD1 3.66Å; F272-I335 HydrophobicContact CD2-CG1 3.88Å; F272-I335 HydrophobicContact CE1-CG1 4.35Å; F272-I335 HydrophobicContact CE1-CG2 4.41Å; F272-I335 HydrophobicContact CE2-CD1 3.6Å; F272-I335 HydrophobicContact CE2-CG1 4.09Å; F272-I335 HydrophobicContact CG-CD1 4.26Å; F272-I335 HydrophobicContact CG-CG1 3.95Å; F272-I335 HydrophobicContact CZ-CD1 4.15Å; F272-I335 HydrophobicContact CZ-CG1 4.34Å; F272-I335 HydrophobicContact CZ-CG2 4.49Å; L274-I335 HydrophobicContact CD1-CG1 4.35Å; V331-I335 HydrophobicContact CG1-CD1 3.45Å; V331-I335 VanDerWaalsContact CG1-CD1 3.45Å; V331-I335 HydrophobicContact CG1-CG1 4.33Å; V331-I335 WeakPolarHBondContact O-CD1 3.36Å; V331-I335 WeakPolarHBondContact O-CG1 3.36Å; V331-I335 PolarHBondContact O-N 3.42Å; Y332-I335 PolarHBondContact O-N 2.95Å; I335-A337 PolarHBondContact O-N 3.3Å; I335-T338 PolarHBondContact O-N 2.91Å; I335-T338 VanDerWaalsContact O-N 3.1Å; I335-T338 PolarHBondContact O-OG1 3.22Å; I335-L344 HydrophobicContact CB-CD2 4.03Å; I335-L344 HydrophobicContact CG2-CD2 3.46Å; I335-L344 VanDerWaalsContact CG2-CD2 3.46Å; I335-L365 HydrophobicContact CD1-CD1 3.85Å; I335-L369 HydrophobicContact CD1-CD1 4.48Å; I335-L369 HydrophobicContact CD1-CD2 4.19Å; I335-L369 HydrophobicContact CG2-CD2 4.04Å
336G56.4Low61Low12 Ų1272.1 Ų72.112%0.12436%0.357CS..Hα-helixtrans-62.9-25.2174.400000114.5Y332 R334Y332-G336 PolarHBondContact O-N 3.21Å; R334-G336 VanDerWaalsContact C-N 3.33Å
337A54.5Low59.2Low75 Ų7571.8 Ų71.862%0.6236%0.363SS*.THydrogen-bonded Turntrans-85.1-10.4176.100000114D333 R334 I335D333-A337 PolarHBondContact O-N 2.91Å; R334-A337 PolarHBondContact O-N 3.44Å; I335-A337 PolarHBondContact O-N 3.3Å
338T50.8Low57.2Low52 Ų5272.8 Ų72.832%0.31937%0.368SS..SBendtrans-78.7134175.857.30000110.9R334 I335 F340 L341R334-T338 PolarHBondContact O-N 2.89Å; I335-T338 PolarHBondContact O-N 2.91Å; I335-T338 VanDerWaalsContact O-N 3.1Å; I335-T338 PolarHBondContact O-OG1 3.22Å; T338-F340 PolarHBondContact O-N 3.33Å; T338-L341 PolarHBondContact O-N 3.48Å
339D49.1Very low55.3Low162 Ų16276.1 Ų76.187%0.86640%0.403SS*.THydrogen-bonded Turntrans-57.1-11.8178.4-60.5-39.4000114L341D339-L341 VanDerWaalsContact C-N 3.33Å; D339-L341 PolarHBondContact O-N 3.49Å
340F48Very low53.3Low191 Ų19181.1 Ų81.184%0.83843%0.425SS*.THydrogen-bonded Turntrans-72.5-18.9-179.8-80.8-85.4000114.2T338T338-F340 PolarHBondContact O-N 3.33Å
341L41.4Very low51.4Low38 Ų3884.5 Ų84.520%0.19945%0.45CS..  trans-143.574.7-175.8-100147.1000111.7T338 D339 D343 L344T338-L341 PolarHBondContact O-N 3.48Å; D339-L341 VanDerWaalsContact C-N 3.33Å; D339-L341 PolarHBondContact O-N 3.49Å; L341-D343 VanDerWaalsContact C-N 3.3Å; L341-D343 PolarHBondContact O-N 3.4Å; L341-L344 HydrophobicContact CB-CB 4.13Å; L341-L344 VanDerWaalsContact O-CB 3.31Å; L341-L344 WeakPolarHBondContact O-CB 3.34Å; L341-L344 PolarHBondContact O-N 3.24Å
342P40.7Very low50.2Low92 Ų9285.3 Ų85.360%0.59746%0.455SS*.Hα-helixtrans-66.3-27.1-17825.2-33.5000113.9L344 R345P342-L344 VanDerWaalsContact C-N 3.27Å; P342-L344 PolarHBondContact O-N 2.87Å; P342-R345 PolarHBondContact O-N 2.92Å
343D48.5Very low49.3Very low100 Ų10090.1 Ų90.154%0.53549%0.492SS..Hα-helixtrans-69.8-25177.3-75.5-45.4000113.1L341 R345 R346L341-D343 VanDerWaalsContact C-N 3.3Å; L341-D343 PolarHBondContact O-N 3.4Å; D343-R345 VanDerWaalsContact C-N 3.33Å; D343-R345 PolarHBondContact O-N 3.35Å; D343-R346 PolarHBondContact O-N 2.87Å; D343-R346 IonicContact OD1-CZ 3.62Å; D343-R346 VanDerWaalsContact OD1-CZ 3.28Å; D343-R346 IonicContact OD1-NH1 2.88Å; D343-R346 PolarHBondContact OD1-NH1 2.98Å; D343-R346 IonicContact OD1-NH2 3.69Å; D343-R346 PolarHBondContact OD1-NH2 3.39Å
344L42Very low48.4Very low8 Ų887.1 Ų87.14%0.04248%0.475CS..Hα-helixtrans-62.8-42177.3-163.963.9000110.5I335 L341 P342 R346 S347 L348 H368I335-L344 HydrophobicContact CB-CD2 4.03Å; I335-L344 HydrophobicContact CG2-CD2 3.46Å; I335-L344 VanDerWaalsContact CG2-CD2 3.46Å; L341-L344 HydrophobicContact CB-CB 4.13Å; L341-L344 VanDerWaalsContact O-CB 3.31Å; L341-L344 WeakPolarHBondContact O-CB 3.34Å; L341-L344 PolarHBondContact O-N 3.24Å; P342-L344 VanDerWaalsContact C-N 3.27Å; P342-L344 PolarHBondContact O-N 2.87Å; L344-R346 PolarHBondContact O-N 2.91Å; L344-R346 VanDerWaalsContact O-N 3.12Å; L344-S347 PolarHBondContact O-N 3.39Å; L344-L348 HydrophobicContact CD1-CD1 3.34Å; L344-L348 HydrophobicContact CD1-CD2 4.46Å; L344-L348 HydrophobicContact CD1-CG 4.49Å; L344-L348 HydrophobicContact CG-CD1 3.61Å; L344-L348 HydrophobicContact CG-CD2 4.08Å; L344-L348 HydrophobicContact CG-CG 4.38Å; L344-L348 VanDerWaalsContact O-CB 3.29Å; L344-L348 WeakPolarHBondContact O-CB 3.47Å; L344-L348 WeakPolarHBondContact O-CD1 3.34Å; L344-L348 PolarHBondContact O-N 3.49Å; L344-H368 HydrophobicContact CD1-CB 3.49Å; L344-H368 VanDerWaalsContact CD1-CB 3.49Å; L344-H368 WeakPolarHBondContact CD1-CD2 3.31Å
345R42Very low47.8Very low201 Ų20184 Ų8476%0.75847%0.468SS*.Hα-helixtrans-55.8-33.7-179.7-173.4177.3177.5176.50.3114P342 D343P342-R345 PolarHBondContact O-N 2.92Å; D343-R345 VanDerWaalsContact C-N 3.33Å; D343-R345 PolarHBondContact O-N 3.35Å
346R42.9Very low47.3Very low187 Ų18790.4 Ų90.471%0.70649%0.492SS*.Hα-helixtrans-76.3-36.3-177.6-113.8-175.1-75.297.5-0.6112.8D343 L344D343-R346 PolarHBondContact O-N 2.87Å; D343-R346 IonicContact OD1-CZ 3.62Å; D343-R346 VanDerWaalsContact OD1-CZ 3.28Å; D343-R346 IonicContact OD1-NH1 2.88Å; D343-R346 PolarHBondContact OD1-NH1 2.98Å; D343-R346 IonicContact OD1-NH2 3.69Å; D343-R346 PolarHBondContact OD1-NH2 3.39Å; L344-R346 PolarHBondContact O-N 2.91Å; L344-R346 VanDerWaalsContact O-N 3.12Å
347S48.1Very low47.4Very low63 Ų6391.2 Ų91.244%0.44150%0.495SS..Hα-helixtrans-74.8-32.5175.8-178.60000111.5L344 H368L344-S347 PolarHBondContact O-N 3.39Å; S347-H368 PolarHBondContact OG-NE2 2.68Å
348L44Very low47.5Very low22 Ų2287.7 Ų87.712%0.11547%0.466CS..  trans-92.5-0.8-166.7-93.676.7000117.9Y332 L344 L350Y332-L348 HydrophobicContact CD1-CD2 3.18Å; Y332-L348 HydrophobicContact CD1-CG 3.62Å; Y332-L348 HydrophobicContact CD2-CD2 3.61Å; Y332-L348 HydrophobicContact CD2-CG 4.3Å; Y332-L348 HydrophobicContact CE1-CB 4.22Å; Y332-L348 HydrophobicContact CE1-CD1 3.84Å; Y332-L348 HydrophobicContact CE1-CD2 3.29Å; Y332-L348 HydrophobicContact CE1-CG 3.13Å; Y332-L348 HydrophobicContact CE2-CD1 3.75Å; Y332-L348 HydrophobicContact CE2-CD2 3.63Å; Y332-L348 HydrophobicContact CE2-CG 3.83Å; Y332-L348 HydrophobicContact CG-CD2 3.36Å; Y332-L348 HydrophobicContact CG-CG 4.19Å; Y332-L348 VanDerWaalsContact CZ-CD2 3.45Å; Y332-L348 WeakPolarHBondContact O-CD2 3.42Å; Y332-L348 WeakPolarHBondContact OH-CD1 3.32Å; Y332-L348 WeakPolarHBondContact OH-CG 3.5Å; L344-L348 HydrophobicContact CD1-CD1 3.34Å; L344-L348 HydrophobicContact CD1-CD2 4.46Å; L344-L348 HydrophobicContact CD1-CG 4.49Å; L344-L348 HydrophobicContact CG-CD1 3.61Å; L344-L348 HydrophobicContact CG-CD2 4.08Å; L344-L348 HydrophobicContact CG-CG 4.38Å; L344-L348 VanDerWaalsContact O-CB 3.29Å; L344-L348 WeakPolarHBondContact O-CB 3.47Å; L344-L348 WeakPolarHBondContact O-CD1 3.34Å; L344-L348 PolarHBondContact O-N 3.49Å; L348-L350 CarbonylContact O-C 3.58Å; L348-L350 PolarHBondContact O-N 3.42Å
349G41.7Very low47.8Very low71 Ų7185.9 Ų85.973%0.73245%0.454SS*.SBendtrans-58-5.2176.500000114.4
350L37.7Very low48.2Very low131 Ų13179 Ų7969%0.68642%0.42SS*.SBendtrans-94.3120.8171.2-68157.5000109.2L348 T352L348-L350 CarbonylContact O-C 3.58Å; L348-L350 PolarHBondContact O-N 3.42Å; L350-T352 PolarHBondContact O-N 3.3Å
351P42.3Very low48.8Very low107 Ų10770.1 Ų70.170%0.69538%0.381SS*.  trans-51.4146.1164.225.2-33.1000107.9S353P351-S353 VanDerWaalsContact C-N 3.34Å; P351-S353 VanDerWaalsContact O-CA 3.29Å; P351-S353 WeakPolarHBondContact O-CA 3.38Å; P351-S353 PolarHBondContact O-N 2.91Å
352T50Low49.7Very low17 Ų1768.4 Ų68.410%0.10437%0.372CS..  trans-41.7104.4170.547.10000107.5A329 L350 D354 N361A329-T352 HydrophobicContact CB-CG2 4.08Å; L350-T352 PolarHBondContact O-N 3.3Å; T352-D354 PolarHBondContact O-N 2.85Å; T352-N361 HydrophobicContact CG2-CB 4.31Å
353S49.8Very low50.4Low119 Ų11964.9 Ų64.983%0.83235%0.351SS*.SBendtrans-61.7-27.7-160.646.90000110.8P351P351-S353 VanDerWaalsContact C-N 3.34Å; P351-S353 VanDerWaalsContact O-CA 3.29Å; P351-S353 WeakPolarHBondContact O-CA 3.38Å; P351-S353 PolarHBondContact O-N 2.91Å
354D52.3Low50.9Low56 Ų5663.3 Ų63.330%0.29934%0.341SS..  trans-130.6112.2168.6-156.5-14.3000111.8T352 R356 C357 N361T352-D354 PolarHBondContact O-N 2.85Å; D354-R356 PolarHBondContact O-N 3Å; D354-R356 VanDerWaalsContact O-N 3.12Å; D354-R356 WeakPolarHBondContact OD1-CB 3.39Å; D354-R356 VanDerWaalsContact OD1-CD 3.31Å; D354-R356 WeakPolarHBondContact OD1-CD 3.35Å; D354-R356 WeakPolarHBondContact OD1-CG 3.42Å; D354-R356 PolarHBondContact OD1-N 3.23Å; D354-R356 IonicContact OD1-NE 3.84Å; D354-C357 PolarHBondContact O-N 2.87Å; D354-N361 PolarHBondContact O-ND2 3.49Å
355L56.4Low51.6Low59 Ų5963.1 Ų63.131%0.30934%0.34SS..THydrogen-bonded Turntrans-66-2.5169-77.9158.6000112F322 N325 K326 A329F322-L355 HydrophobicContact CE2-CD1 4.15Å; N325-L355 HydrophobicContact CB-CD2 4Å; N325-L355 WeakPolarHBondContact CB-O 3.37Å; N325-L355 VanDerWaalsContact CG-O 3.25Å; N325-L355 PolarHBondContact ND2-O 3.46Å; K326-L355 HydrophobicContact CG-CD2 4.43Å; A329-L355 HydrophobicContact CB-CD2 4.42Å
356R55.5Low52.4Low136 Ų13654.5 Ų54.551%0.51331%0.309SS..THydrogen-bonded Turntrans-86.2-25.1177-58.6168.1-159.8-164.56.1112.9A243 E244 D354 T358A243-R356 WeakPolarHBondContact CB-O 3.42Å; A243-R356 PolarHBondContact N-O 3.01Å; E244-R356 WeakPolarHBondContact OE1-CD 3.45Å; E244-R356 IonicContact OE1-CZ 3.07Å; E244-R356 IonicContact OE1-NE 3.21Å; E244-R356 IonicContact OE1-NH1 2.69Å; E244-R356 PolarHBondContact OE1-NH1 2.94Å; D354-R356 PolarHBondContact O-N 3Å; D354-R356 VanDerWaalsContact O-N 3.12Å; D354-R356 WeakPolarHBondContact OD1-CB 3.39Å; D354-R356 VanDerWaalsContact OD1-CD 3.31Å; D354-R356 WeakPolarHBondContact OD1-CD 3.35Å; D354-R356 WeakPolarHBondContact OD1-CG 3.42Å; D354-R356 PolarHBondContact OD1-N 3.23Å; D354-R356 IonicContact OD1-NE 3.84Å; R356-T358 PolarHBondContact O-N 3.26Å; R356-T358 VanDerWaalsContact O-N 3.07Å
357C57.4Low53.1Low28 Ų2848.5 Ų48.519%0.18929%0.289CS..  trans-87.867.5-175.1-57.40000111.9D354 L359 A360 N361D354-C357 PolarHBondContact O-N 2.87Å; C357-L359 VanDerWaalsContact C-N 3.33Å; C357-L359 PolarHBondContact O-N 2.95Å; C357-A360 HydrophobicContact CB-CB 3.7Å; C357-A360 PolarHBondContact O-N 3.4Å; C357-N361 VanDerWaalsContact O-CG 3.3Å; C357-N361 PolarHBondContact O-N 3.39Å; C357-N361 PolarHBondContact O-ND2 3.45Å
358T57.3Low53.2Low1 Ų148 Ų481%0.00628%0.279CS..Hα-helixtrans-44.7-52.5-175.352.90000113.2Y246 L258 V321 N325 R356 V362Y246-T358 PolarHBondContact OH-OG1 3.46Å; L258-T358 HydrophobicContact CD2-CG2 4.31Å; V321-T358 HydrophobicContact CG1-CG2 3.53Å; N325-T358 WeakPolarHBondContact ND2-CG2 3.31Å; N325-T358 VanDerWaalsContact OD1-CA 3.26Å; N325-T358 WeakPolarHBondContact OD1-CA 3.45Å; N325-T358 WeakPolarHBondContact OD1-CB 3.49Å; N325-T358 WeakPolarHBondContact OD1-CG2 3.47Å; R356-T358 PolarHBondContact O-N 3.26Å; R356-T358 VanDerWaalsContact O-N 3.07Å; T358-V362 VanDerWaalsContact O-CG2 3.26Å; T358-V362 WeakPolarHBondContact O-CG2 3.33Å; T358-V362 PolarHBondContact O-N 2.91Å
359L56.2Low53.6Low14 Ų1448.8 Ų48.87%0.07328%0.284CS..Hα-helixtrans-82.8-32.9-175.7-149.7161.4000112.7Y233 I235 L240 C357 N361 V362 A363Y233-L359 HydrophobicContact CD1-CD2 3.83Å; Y233-L359 HydrophobicContact CG-CB 4.32Å; Y233-L359 HydrophobicContact CG-CD2 3.88Å; I235-L359 HydrophobicContact CB-CD1 3.93Å; I235-L359 HydrophobicContact CG2-CD1 4.4Å; L240-L359 HydrophobicContact CB-CD1 3.78Å; L240-L359 HydrophobicContact CD2-CB 4.29Å; L240-L359 HydrophobicContact CD2-CD1 4.17Å; C357-L359 VanDerWaalsContact C-N 3.33Å; C357-L359 PolarHBondContact O-N 2.95Å; L359-N361 PolarHBondContact O-N 3.05Å; L359-V362 CarbonylContact O-C 3.58Å; L359-V362 WeakPolarHBondContact O-CA 3.49Å; L359-V362 WeakPolarHBondContact O-CB 3.35Å; L359-V362 PolarHBondContact O-N 2.89Å; L359-A363 HydrophobicContact CD2-CB 4.23Å; L359-A363 WeakPolarHBondContact O-CB 3.41Å; L359-A363 PolarHBondContact O-N 2.86Å
360A57.7Low53.9Low17 Ų1747.6 Ų47.614%0.1426%0.262CS..Hα-helixtrans-58.5-41.9172.700000110.6Y233 C357 V362 A363 M364Y233-A360 HydrophobicContact CD2-CB 4.45Å; Y233-A360 HydrophobicContact CE2-CB 3.75Å; C357-A360 HydrophobicContact CB-CB 3.7Å; C357-A360 PolarHBondContact O-N 3.4Å; A360-V362 VanDerWaalsContact C-N 3.31Å; A360-V362 PolarHBondContact O-N 3.39Å; A360-A363 PolarHBondContact O-N 3.39Å; A360-M364 WeakPolarHBondContact O-CB 3.43Å; A360-M364 WeakPolarHBondContact O-CG 3.36Å; A360-M364 PolarHBondContact O-N 2.86Å
361N60.3Low54.3Low6 Ų648.9 Ų48.93%0.03227%0.265CS..Hα-helixtrans-63.4-36174.6-67.1-31.3000112.2I328 T352 D354 C357 L359 L365I328-N361 HydrophobicContact CG2-CB 3.84Å; T352-N361 HydrophobicContact CG2-CB 4.31Å; D354-N361 PolarHBondContact O-ND2 3.49Å; C357-N361 VanDerWaalsContact O-CG 3.3Å; C357-N361 PolarHBondContact O-N 3.39Å; C357-N361 PolarHBondContact O-ND2 3.45Å; L359-N361 PolarHBondContact O-N 3.05Å; N361-L365 VanDerWaalsContact O-CB 3.3Å; N361-L365 WeakPolarHBondContact O-CB 3.35Å; N361-L365 PolarHBondContact O-N 3.27Å; N361-L365 VanDerWaalsContact O-N 3.08Å
362V60.8Low54Low2 Ų247.5 Ų47.51%0.01225%0.254CS..Hα-helixtrans-72.2-40.9174.8172.10000112T261 L264 I328 T358 L359 A360 L365 L366T261-V362 HydrophobicContact CG2-CG2 3.76Å; L264-V362 HydrophobicContact CD2-CG1 3.43Å; L264-V362 VanDerWaalsContact CD2-CG1 3.43Å; I328-V362 HydrophobicContact CD1-CG2 3.74Å; I328-V362 HydrophobicContact CG1-CG2 4.3Å; T358-V362 VanDerWaalsContact O-CG2 3.26Å; T358-V362 WeakPolarHBondContact O-CG2 3.33Å; T358-V362 PolarHBondContact O-N 2.91Å; L359-V362 CarbonylContact O-C 3.58Å; L359-V362 WeakPolarHBondContact O-CA 3.49Å; L359-V362 WeakPolarHBondContact O-CB 3.35Å; L359-V362 PolarHBondContact O-N 2.89Å; A360-V362 VanDerWaalsContact C-N 3.31Å; A360-V362 PolarHBondContact O-N 3.39Å; V362-L365 WeakPolarHBondContact O-CB 3.22Å; V362-L365 PolarHBondContact O-N 3.36Å; V362-L366 HydrophobicContact CG1-CD1 4.09Å; V362-L366 HydrophobicContact CG1-CG 4.32Å; V362-L366 WeakPolarHBondContact O-CB 3.32Å; V362-L366 WeakPolarHBondContact O-CG 3.46Å; V362-L366 PolarHBondContact O-N 2.89Å
363A56.1Low53Low18 Ų1850.9 Ų50.915%0.14928%0.276CS..Hα-helixtrans-63.5-47.6178.500000109.9Y233 L359 A360 L365 L366 E367Y233-A363 HydrophobicContact CD1-CB 4.22Å; Y233-A363 HydrophobicContact CE1-CB 3.94Å; L359-A363 HydrophobicContact CD2-CB 4.23Å; L359-A363 WeakPolarHBondContact O-CB 3.41Å; L359-A363 PolarHBondContact O-N 2.86Å; A360-A363 PolarHBondContact O-N 3.39Å; A363-L365 VanDerWaalsContact C-N 3.31Å; A363-L365 PolarHBondContact O-N 2.95Å; A363-L366 PolarHBondContact O-N 3.48Å; A363-E367 VanDerWaalsContact O-CB 3.3Å; A363-E367 WeakPolarHBondContact O-CB 3.35Å; A363-E367 PolarHBondContact O-N 2.94Å
364M58.2Low52.4Low66 Ų6649.1 Ų49.133%0.32526%0.257SS..Hα-helixtrans-58.2-42.9172.4-70.6-161.5-5200112A360 H368A360-M364 WeakPolarHBondContact O-CB 3.43Å; A360-M364 WeakPolarHBondContact O-CG 3.36Å; A360-M364 PolarHBondContact O-N 2.86Å; M364-H368 WeakPolarHBondContact O-CB 3.42Å; M364-H368 PolarHBondContact O-N 2.73Å; M364-H368 VanDerWaalsContact O-N 3.07Å; M364-H368 PolarHBondContact O-ND1 2.95Å
365L56.9Low51.2Low4 Ų453.4 Ų53.42%0.02128%0.28CS..Hα-helixtrans-61.2-44.1176176.666.8000111.7L268 V331 Y332 I335 N361 V362 A363 L369L268-L365 HydrophobicContact CD1-CD2 3.48Å; L268-L365 VanDerWaalsContact CD1-CD2 3.48Å; L268-L365 HydrophobicContact CD1-CG 4.21Å; V331-L365 HydrophobicContact CG1-CD1 4.2Å; V331-L365 HydrophobicContact CG1-CD2 4.07Å; Y332-L365 HydrophobicContact CD2-CB 4.38Å; Y332-L365 HydrophobicContact CD2-CD1 3.9Å; I335-L365 HydrophobicContact CD1-CD1 3.85Å; N361-L365 VanDerWaalsContact O-CB 3.3Å; N361-L365 WeakPolarHBondContact O-CB 3.35Å; N361-L365 PolarHBondContact O-N 3.27Å; N361-L365 VanDerWaalsContact O-N 3.08Å; V362-L365 WeakPolarHBondContact O-CB 3.22Å; V362-L365 PolarHBondContact O-N 3.36Å; A363-L365 VanDerWaalsContact C-N 3.31Å; A363-L365 PolarHBondContact O-N 2.95Å; L365-L369 HydrophobicContact CD1-CD1 4.13Å; L365-L369 HydrophobicContact CD1-CG 4.4Å; L365-L369 HydrophobicContact CG-CD1 4.11Å; L365-L369 VanDerWaalsContact O-CB 3.3Å; L365-L369 WeakPolarHBondContact O-CB 3.49Å; L365-L369 WeakPolarHBondContact O-CG 3.17Å; L365-L369 PolarHBondContact O-N 3.49Å
366L59.4Low50Low21 Ų2155.3 Ų55.311%0.1130%0.298CS..Hα-helixtrans-70.8-39.8179.6-73178.8000112.8L203 V207 L264 V362 A363 L369 T370L203-L366 HydrophobicContact CD1-CD2 4.39Å; V207-L366 HydrophobicContact CG2-CD2 3.94Å; L264-L366 HydrophobicContact CD1-CD2 4.42Å; L264-L366 HydrophobicContact CD2-CD1 4Å; L264-L366 HydrophobicContact CD2-CD2 4.26Å; L264-L366 HydrophobicContact CD2-CG 4.33Å; V362-L366 HydrophobicContact CG1-CD1 4.09Å; V362-L366 HydrophobicContact CG1-CG 4.32Å; V362-L366 WeakPolarHBondContact O-CB 3.32Å; V362-L366 WeakPolarHBondContact O-CG 3.46Å; V362-L366 PolarHBondContact O-N 2.89Å; A363-L366 PolarHBondContact O-N 3.48Å; L366-L369 PolarHBondContact O-N 3.48Å; L366-T370 WeakPolarHBondContact O-CB 3.48Å; L366-T370 VanDerWaalsContact O-CG2 3.3Å; L366-T370 WeakPolarHBondContact O-CG2 3.46Å; L366-T370 PolarHBondContact O-N 2.85Å; L366-T370 VanDerWaalsContact O-N 3.16Å; L366-T370 PolarHBondContact O-OG1 2.92Å
367E56Low48.6Very low61 Ų6156 Ų5629%0.28531%0.312SS..Hα-helixtrans-59.8-50.5176.6-175.3171.8-159.100110.4A363 L369 T370 E371 P373 L374A363-E367 VanDerWaalsContact O-CB 3.3Å; A363-E367 WeakPolarHBondContact O-CB 3.35Å; A363-E367 PolarHBondContact O-N 2.94Å; E367-L369 PolarHBondContact O-N 3.14Å; E367-T370 PolarHBondContact O-N 3.39Å; E367-T370 VanDerWaalsContact O-N 3.14Å; E367-T370 PolarHBondContact O-OG1 2.84Å; E367-E371 PolarHBondContact O-N 3.29Å; E367-P373 WeakPolarHBondContact OE1-CA 3.3Å; E367-L374 PolarHBondContact OE1-N 2.89Å
368H51.6Low47.1Very low51 Ų5159.8 Ų59.824%0.23635%0.346CS..Hα-helixtrans-64.4-37.9176.9-78.289.5000113.4L344 S347 M364 T370L344-H368 HydrophobicContact CD1-CB 3.49Å; L344-H368 VanDerWaalsContact CD1-CB 3.49Å; L344-H368 WeakPolarHBondContact CD1-CD2 3.31Å; S347-H368 PolarHBondContact OG-NE2 2.68Å; M364-H368 WeakPolarHBondContact O-CB 3.42Å; M364-H368 PolarHBondContact O-N 2.73Å; M364-H368 VanDerWaalsContact O-N 3.07Å; M364-H368 PolarHBondContact O-ND1 2.95Å; H368-T370 PolarHBondContact O-N 3.31Å
369L52.5Low45.6Very low40 Ų4065.2 Ų65.221%0.20938%0.384CS..Hα-helixtrans-67.8-16.9176.7-79.9177.8000113.8L268 F272 I335 L365 L366 E367L268-L369 HydrophobicContact CD1-CD1 4.38Å; L268-L369 HydrophobicContact CD2-CD1 3.65Å; F272-L369 HydrophobicContact CE1-CD2 4.44Å; F272-L369 HydrophobicContact CE2-CD1 4.12Å; F272-L369 HydrophobicContact CE2-CD2 3.86Å; F272-L369 HydrophobicContact CZ-CD1 4.48Å; F272-L369 HydrophobicContact CZ-CD2 3.43Å; F272-L369 VanDerWaalsContact CZ-CD2 3.43Å; I335-L369 HydrophobicContact CD1-CD1 4.48Å; I335-L369 HydrophobicContact CD1-CD2 4.19Å; I335-L369 HydrophobicContact CG2-CD2 4.04Å; L365-L369 HydrophobicContact CD1-CD1 4.13Å; L365-L369 HydrophobicContact CD1-CG 4.4Å; L365-L369 HydrophobicContact CG-CD1 4.11Å; L365-L369 VanDerWaalsContact O-CB 3.3Å; L365-L369 WeakPolarHBondContact O-CB 3.49Å; L365-L369 WeakPolarHBondContact O-CG 3.17Å; L365-L369 PolarHBondContact O-N 3.49Å; L366-L369 PolarHBondContact O-N 3.48Å; E367-L369 PolarHBondContact O-N 3.14Å
370T47.5Very low44.4Very low45 Ų4569.7 Ų69.728%0.27642%0.416SS..Hα-helixtrans-116.21.3-172.861.90000114.7V207 R211 L366 E367 H368 V372V207-T370 HydrophobicContact CG1-CG2 4.49Å; R211-T370 PolarHBondContact NH2-OG1 3.14Å; L366-T370 WeakPolarHBondContact O-CB 3.48Å; L366-T370 VanDerWaalsContact O-CG2 3.3Å; L366-T370 WeakPolarHBondContact O-CG2 3.46Å; L366-T370 PolarHBondContact O-N 2.85Å; L366-T370 VanDerWaalsContact O-N 3.16Å; L366-T370 PolarHBondContact O-OG1 2.92Å; E367-T370 PolarHBondContact O-N 3.39Å; E367-T370 VanDerWaalsContact O-N 3.14Å; E367-T370 PolarHBondContact O-OG1 2.84Å; H368-T370 PolarHBondContact O-N 3.31Å; T370-V372 WeakPolarHBondContact O-CG2 3.29Å; T370-V372 PolarHBondContact O-N 2.81Å
371E45.5Very low42.8Very low159 Ų15974.1 Ų74.174%0.74345%0.446SS*.THydrogen-bonded Turntrans49.323.5177.4-64.7-178.6-177.800114.9E367E367-E371 PolarHBondContact O-N 3.29Å
372V37Very low41.1Very low78 Ų7878.6 Ų78.647%0.47348%0.478SS..  trans-120.7109.3176.1178.30000107.9T370T370-V372 WeakPolarHBondContact O-CG2 3.29Å; T370-V372 PolarHBondContact O-N 2.81Å
373P28.6Very low39.3Very low87 Ų8785.6 Ų85.657%0.56551%0.514SS*.  trans-57.2136172.4-20.731.7000110.5E367 D375E367-P373 WeakPolarHBondContact OE1-CA 3.3Å; P373-D375 PolarHBondContact O-N 3.2Å
374L36.6Very low37.7Very low83 Ų8395.3 Ų95.344%0.43555%0.547SS..  trans-79.595.4166.7-69.2170.6000107.1V214 E367 S376V214-L374 HydrophobicContact CG1-CD1 4.49Å; V214-L374 HydrophobicContact CG1-CD2 4.34Å; E367-L374 PolarHBondContact OE1-N 2.89Å; L374-S376 PolarHBondContact O-N 3.19Å
375D28.4Very low36.1Very low145 Ų14598.3 Ų98.378%0.77557%0.572SS**  trans-48.3113.9-176.9-74.7-36.6000112P373P373-D375 PolarHBondContact O-N 3.2Å
376S30Very low34.6Very low100 Ų100104 Ų10470%0.69961%0.609SS**  trans-80.6141.8149.5-61.30000107.7L374L374-S376 PolarHBondContact O-N 3.19Å
377D25.7Very low32.8Very low151 Ų151111.7 Ų111.781%0.80765%0.646SS**  trans91.173.8167.5-49.6-29000117.9
378A26.6Very low31.1Very low107 Ų107114.3 Ų114.388%0.88467%0.671SS**  trans-114.453141.800000110.3
379S26.3Very low29.9Very low115 Ų115117.8 Ų117.880%0.80470%0.699SS**  trans-132.959.7167.8-63.30000110.8
380S29.8Very low28.4Very low108 Ų108120 Ų12076%0.75572%0.722SS**  trans-145.598.114451.70000109.1
381S24.2Very low27.2Very low110 Ų110123.2 Ų123.277%0.76975%0.747SS**  trans-16132.3147.750.40000115
382S24.5Very low26.3Very low100 Ų100120.6 Ų120.670%0.69975%0.746SS**  46.5111.8128.9-167.20000116.4
383L23Very low25.7Very low149 Ų149126.6 Ų126.678%0.7877%0.769SS**  175.8114.2115.4-88.4160.5000111.3
384R22.5Very low25.4Very low221 Ų221125.7 Ų125.783%0.83478%0.775SS**  trans66.7126.6146.5-76.3178.9168.8-122.8-1.2120.7
385P26Very low24.6Very low130 Ų130126.5 Ų126.584%0.84479%0.788SS**  trans-86.3137.7160.833.6-26.8000110.6
386P24Very low24.3Very low124 Ų124132.2 Ų132.281%0.80580%0.799SS**  trans-110.4133.4150.127.7-13.5000109.9
387M22.2Very low23.9Very low182 Ų182131.6 Ų131.690%0.89780%0.795SS**  trans-54.6148.8176-65.3160.26200112.3
388S21.3Very low23.6Very low115 Ų115129.5 Ų129.580%0.80479%0.788SS**  trans-53.7155.9168.7-45.60000113
389P25.3Very low23.4Very low125 Ų125137.1 Ų137.181%0.81279%0.794SS**  -132.9137.4114.933.2-20.9000113.8
390A21.3Very low23.1Very low86 Ų86137.1 Ų137.171%0.71179%0.789SS**  trans15.3133.6144.400000122.1
391S23.2Very low22.7Very low112 Ų112136.5 Ų136.578%0.78378%0.784SS**  102.5142128.274.20000121
392S25.9Very low22.5Very low105 Ų105139.3 Ų139.373%0.73479%0.786SS**  trans75.597.4164.861.50000120.8
393Q23.4Very low22.5Very low203 Ų203141.7 Ų141.795%0.94979%0.791SS**  39.5126.9114.9-68.7-178-13.800120.3
394G23.1Very low22.4Very low68 Ų68139.1 Ų139.170%0.70179%0.785SS**  trans15975.2160.700000110.2
395S19.3Very low22.4Very low101 Ų101139.7 Ų139.771%0.70679%0.787SS**  46.393.594.9-161.30000113.8
396W22.5Very low22.2Very low264 Ų264137 Ų137100%178%0.783SS**  trans-119.588.2148.1-78-10.8000108.4
397S21.4Very low22.3Very low88 Ų88139.4 Ų139.462%0.61579%0.787SS**  trans-69137163.9480000111.4
398T19.8Very low22.2Very low106 Ų106141.6 Ų141.665%0.6579%0.785SS**  trans6796.7137-44.10000118.2T400T398-T400 HydrophobicContact CG2-CG2 3.93Å; T398-T400 VanDerWaalsContact CG2-OG1 3.26Å; T398-T400 WeakPolarHBondContact CG2-OG1 3.46Å
399W21.5Very low22.3Very low268 Ų268141.3 Ų141.3100%1.01578%0.784SS**  trans-99.899.1146.3-71.876000107.9
400T20.8Very low22.2Very low114 Ų114141.9 Ų141.970%0.69978%0.784SS**  trans-128147.6165.951.60000109.5T398T398-T400 HydrophobicContact CG2-CG2 3.93Å; T398-T400 VanDerWaalsContact CG2-OG1 3.26Å; T398-T400 WeakPolarHBondContact CG2-OG1 3.46Å
401S20.9Very low22.1Very low95 Ų95141.2 Ų141.266%0.66479%0.786SS**  trans76.8110.1168.3-96.20000119.1
402E20.2Very low22.3Very low170 Ų170140.7 Ų140.779%0.79479%0.788SS**  56.1109.1122.3-71.9164133.400118.2
403N25.2Very low22.1Very low150 Ų150141.6 Ų141.680%0.80280%0.795SS**  -149.2123.1116.8-132.6-0.1000113
404S20.7Very low22.3Very low95 Ų95137.2 Ų137.266%0.66479%0.786SS**  trans-50.2139.8160.4-620000111.9
405R22.2Very low22.3Very low233 Ų233138.9 Ų138.988%0.87979%0.787SS**  162.1109.3124.2-85.7163.4-164.9161.85.9111.9
406G21.5Very low22.7Very low73 Ų73142.3 Ų142.375%0.75379%0.792SS**  63.4101.8127.200000119.7
407I27Very low22.6Very low174 Ų174140.5 Ų140.589%0.89279%0.785SS**  trans-129.5118.2134.7-61.4-177.9000108
408R19.5Very low22.6Very low228 Ų228143 Ų14386%0.8679%0.791SS**  trans-89.1150172.2-75.1178.6178.5-142.2-1.1110
409S22.6Very low22.7Very low110 Ų110145.7 Ų145.777%0.76980%0.797SS**  trans65.3138.8157.370.90000116.1
410V23.4Very low22.7Very low136 Ų136140.6 Ų140.682%0.82479%0.785SS**  cis-149.4148.548.7168.30000109.5
411G20.5Very low22.8Very low73 Ų73140.9 Ų140.975%0.75379%0.789SS**  trans-69.2153.7-174.200000115.7
412A27Very low23Very low100 Ų100143.5 Ų143.583%0.82679%0.794SS**  trans-129.6115.5149.200000106.8S414A412-S414 PolarHBondContact O-N 2.85Å
413S21.9Very low23Very low124 Ų124141.3 Ų141.387%0.86780%0.798SS**  trans-61.5115.5173.7-177.40000109.4
414S27Very low23.2Very low111 Ų111139.2 Ų139.278%0.77679%0.79SS**  trans-14994.1158.1-154.80000108.9A412 Q416A412-S414 PolarHBondContact O-N 2.85Å; S414-Q416 PolarHBondContact O-N 2.88Å
415S24.2Very low23.4Very low103 Ų103142 Ų14272%0.7280%0.797SS**  trans2.486.1161.6-55.40000115.8W417S415-W417 PolarHBondContact O-N 3.29Å
416Q26.1Very low23.8Very low174 Ų174141 Ų14181%0.81379%0.793SS**  trans-73.3110.9164.7-139.9168.310.300107.2S414 I418S414-Q416 PolarHBondContact O-N 2.88Å; Q416-I418 PolarHBondContact O-N 2.9Å
417W21.3Very low24.3Very low225 Ų225142.5 Ų142.585%0.85279%0.792SS**  trans-63.289.4169.6-69.582.9000108.5S415 M419S415-W417 PolarHBondContact O-N 3.29Å; W417-M419 PolarHBondContact O-N 3.46Å
418I22.2Very low24.5Very low142 Ų142139 Ų13973%0.72878%0.783SS**  trans-68.4100.3169.3-63.1173.9000106.2Q416 Q420Q416-I418 PolarHBondContact O-N 2.9Å; I418-Q420 PolarHBondContact O-N 2.8Å
419M22Very low25.2Very low161 Ų161131.5 Ų131.579%0.79377%0.766SS**  trans-64.899.3171.2-77.6-77.4148.400108.6W417W417-M419 PolarHBondContact O-N 3.46Å
420Q20.6Very low25.7Very low161 Ų161131.2 Ų131.275%0.75276%0.755SS**  trans-72.7128.9164-74.2-174.7-18.200108.8I418 I422I418-Q420 PolarHBondContact O-N 2.8Å; Q420-I422 PolarHBondContact O-N 2.99Å; Q420-I422 VanDerWaalsContact O-N 3.13Å
421P23.6Very low26.3Very low121 Ų121129 Ų12979%0.78674%0.744SS**  trans-69.2110.617626.8-30.7000109.1S423P421-S423 PolarHBondContact O-N 3.18Å; P421-S423 VanDerWaalsContact O-N 3.09Å
422I23.6Very low26.9Very low150 Ų150131 Ų13177%0.76974%0.737SS**  trans-68.4106.5170.7-60.1169.9000107Q420 V424Q420-I422 PolarHBondContact O-N 2.99Å; Q420-I422 VanDerWaalsContact O-N 3.13Å; I422-V424 HydrophobicContact CG2-CG2 3.7Å; I422-V424 PolarHBondContact O-N 3.28Å
423S21.6Very low27.2Very low124 Ų124131.3 Ų131.387%0.86772%0.724SS**  trans-6298.5164.9-69.50000108.8P421P421-S423 PolarHBondContact O-N 3.18Å; P421-S423 VanDerWaalsContact O-N 3.09Å
424V28.8Very low28Very low105 Ų105133.6 Ų133.664%0.63672%0.715SS**  trans-102.8115.7163.4-174.70000106.6I422 R426I422-V424 HydrophobicContact CG2-CG2 3.7Å; I422-V424 PolarHBondContact O-N 3.28Å; V424-R426 PolarHBondContact O-N 2.88Å
425D24.1Very low28.5Very low153 Ų153134.7 Ų134.782%0.81871%0.708SS**  trans-50.9102.2173.8-106.8-34.1000110.2S427D425-S427 PolarHBondContact O-N 3.26Å
426R30.5Very low29.1Very low212 Ų212139.2 Ų139.280%0.871%0.709SS**  trans-95.882177.2-79.5-175.9177178.60.3108.9V424 L430V424-R426 PolarHBondContact O-N 2.88Å; R426-L430 HydrophobicContact CB-CD1 4.46Å; R426-L430 HydrophobicContact CG-CD1 4.31Å
427S33.3Very low29.6Very low105 Ų105134.6 Ų134.673%0.73469%0.692SS**SBendtrans-143.7-14.4165.862.10000116.7D425D425-S427 PolarHBondContact O-N 3.26Å
428S31.5Very low30.5Very low100 Ų100126.8 Ų126.870%0.69967%0.67SS**SBendtrans-123.5-12.3-172.959.20000118.3
429S32.6Very low31.1Very low72 Ų72122.8 Ų122.850%0.50366%0.657SS.*SBendtrans-114.3-9.6-174.262.70000116.7L432 L433S429-L432 PolarHBondContact O-N 3.36Å; S429-L433 PolarHBondContact O-N 2.87Å
430L34.3Very low31.7Very low103 Ų103117.9 Ų117.954%0.53964%0.642SS.*Hα-helixtrans-65.9-38.4-179.8-90.8156.2000114.8R426 L432 L433 Y434R426-L430 HydrophobicContact CB-CD1 4.46Å; R426-L430 HydrophobicContact CG-CD1 4.31Å; L430-L432 VanDerWaalsContact C-N 3.32Å; L430-L432 PolarHBondContact O-N 2.95Å; L430-L433 PolarHBondContact O-N 2.88Å; L430-Y434 WeakPolarHBondContact O-CB 3.41Å; L430-Y434 PolarHBondContact O-N 2.85Å
431P36.3Very low32.3Very low90 Ų90115.7 Ų115.758%0.58463%0.632SS**Hα-helixtrans-63.4-37.2177.3-23.834.6000112.9Y434 Q435P431-Y434 PolarHBondContact O-N 3.46Å; P431-Q435 WeakPolarHBondContact O-CB 3.4Å; P431-Q435 PolarHBondContact O-N 2.94Å
432L33.2Very low32.8Very low116 Ų116112.8 Ų112.861%0.60762%0.618SS**Hα-helixtrans-73.6-35.7-179.2-72.4170.8000112.6S429 L430 R436S429-L432 PolarHBondContact O-N 3.36Å; L430-L432 VanDerWaalsContact C-N 3.32Å; L430-L432 PolarHBondContact O-N 2.95Å; L432-R436 WeakPolarHBondContact O-CB 3.45Å; L432-R436 WeakPolarHBondContact O-CG 3.28Å; L432-R436 PolarHBondContact O-N 3.34Å
433L33.1Very low33.2Very low106 Ų106108.1 Ų108.156%0.55560%0.603SS**Hα-helixtrans-67.5-41.9172.4-88.6165.7000111.5S429 L430 R436 V437S429-L433 PolarHBondContact O-N 2.87Å; L430-L433 PolarHBondContact O-N 2.88Å; L433-R436 PolarHBondContact O-N 3.37Å; L433-V437 VanDerWaalsContact O-CG2 3.3Å; L433-V437 WeakPolarHBondContact O-CG2 3.4Å; L433-V437 PolarHBondContact O-N 3.34Å
434Y37.6Very low33.9Very low171 Ų171105.1 Ų105.167%0.67159%0.585SS**Hα-helixtrans-63.4-44.8176.3-173.2-103.4000111.6L430 P431 R436 V437 V438L430-Y434 WeakPolarHBondContact O-CB 3.41Å; L430-Y434 PolarHBondContact O-N 2.85Å; P431-Y434 PolarHBondContact O-N 3.46Å; Y434-R436 VanDerWaalsContact C-N 3.31Å; Y434-R436 PolarHBondContact O-N 2.89Å; Y434-V437 PolarHBondContact O-N 2.9Å; Y434-V438 HydrophobicContact CD1-CG2 4.02Å; Y434-V438 HydrophobicContact CE1-CG2 3.69Å; Y434-V438 HydrophobicContact CE2-CG2 4.24Å; Y434-V438 HydrophobicContact CG-CG2 4.43Å; Y434-V438 WeakPolarHBondContact O-CB 3.33Å; Y434-V438 VanDerWaalsContact O-CG2 3.25Å; Y434-V438 WeakPolarHBondContact O-CG2 3.28Å; Y434-V438 PolarHBondContact O-N 3.43Å
435Q39Very low34.1Very low135 Ų135105.3 Ų105.363%0.63159%0.59SS**Hα-helixtrans-65.7-34.3177.8-163.4169.710.100112.3P431 A439P431-Q435 WeakPolarHBondContact O-CB 3.4Å; P431-Q435 PolarHBondContact O-N 2.94Å; Q435-A439 WeakPolarHBondContact O-CB 3.44Å; Q435-A439 PolarHBondContact O-N 3.44Å
436R35.7Very low34.4Very low197 Ų197103.9 Ų103.974%0.74358%0.582SS**Hα-helixtrans-67.1-39.9171.7-85.1-178.1150.6179-5.4113L432 L433 Y434 A440L432-R436 WeakPolarHBondContact O-CB 3.45Å; L432-R436 WeakPolarHBondContact O-CG 3.28Å; L432-R436 PolarHBondContact O-N 3.34Å; L433-R436 PolarHBondContact O-N 3.37Å; Y434-R436 VanDerWaalsContact C-N 3.31Å; Y434-R436 PolarHBondContact O-N 2.89Å; R436-A440 VanDerWaalsContact O-CB 3.23Å; R436-A440 WeakPolarHBondContact O-CB 3.29Å; R436-A440 PolarHBondContact O-N 3.49Å
437V37.5Very low34.4Very low77 Ų7796.5 Ų96.547%0.46757%0.572SS.*Hα-helixtrans-67.7-44.6177172.50000110.6L433 Y434 A440 E441L433-V437 VanDerWaalsContact O-CG2 3.3Å; L433-V437 WeakPolarHBondContact O-CG2 3.4Å; L433-V437 PolarHBondContact O-N 3.34Å; Y434-V437 PolarHBondContact O-N 2.9Å; V437-A440 PolarHBondContact O-N 2.91Å; V437-E441 WeakPolarHBondContact O-CG 3.17Å; V437-E441 PolarHBondContact O-N 3.47Å
438V39.2Very low34.3Very low62 Ų6295.6 Ų95.638%0.37657%0.571SS.*Hα-helixtrans-65.1-41.3177.2174.70000111.2Y434 A440 E441 A442Y434-V438 HydrophobicContact CD1-CG2 4.02Å; Y434-V438 HydrophobicContact CE1-CG2 3.69Å; Y434-V438 HydrophobicContact CE2-CG2 4.24Å; Y434-V438 HydrophobicContact CG-CG2 4.43Å; Y434-V438 WeakPolarHBondContact O-CB 3.33Å; Y434-V438 VanDerWaalsContact O-CG2 3.25Å; Y434-V438 WeakPolarHBondContact O-CG2 3.28Å; Y434-V438 PolarHBondContact O-N 3.43Å; V438-A440 VanDerWaalsContact C-N 3.34Å; V438-E441 PolarHBondContact O-N 2.83Å; V438-A442 WeakPolarHBondContact O-CB 3.45Å; V438-A442 PolarHBondContact O-N 2.98Å
439A34.8Very low34.1Very low57 Ų5795.8 Ų95.847%0.47156%0.564SS.*Hα-helixtrans-65.8-37.1174.700000112Q435 A442 A443Q435-A439 WeakPolarHBondContact O-CB 3.44Å; Q435-A439 PolarHBondContact O-N 3.44Å; A439-A442 PolarHBondContact O-N 2.87Å; A439-A443 VanDerWaalsContact O-CB 3.26Å; A439-A443 WeakPolarHBondContact O-CB 3.48Å; A439-A443 PolarHBondContact O-N 2.94Å
440A35.4Very low34.2Very low58 Ų5897.1 Ų97.148%0.47956%0.561SS.*Hα-helixtrans-67.9-36.8174.600000112.2R436 V437 V438 A444R436-A440 VanDerWaalsContact O-CB 3.23Å; R436-A440 WeakPolarHBondContact O-CB 3.29Å; R436-A440 PolarHBondContact O-N 3.49Å; V437-A440 PolarHBondContact O-N 2.91Å; V438-A440 VanDerWaalsContact C-N 3.34Å; A440-A444 VanDerWaalsContact O-CB 3.25Å; A440-A444 WeakPolarHBondContact O-CB 3.4Å; A440-A444 PolarHBondContact O-N 2.84Å
441E33.7Very low33.9Very low115 Ų11598 Ų9854%0.53757%0.566SS.*Hα-helixtrans-67.5-43.7173.4-75.5-176.616000111.5V437 V438 A443 A444 C445V437-E441 WeakPolarHBondContact O-CG 3.17Å; V437-E441 PolarHBondContact O-N 3.47Å; V438-E441 PolarHBondContact O-N 2.83Å; E441-A443 VanDerWaalsContact C-N 3.34Å; E441-A443 PolarHBondContact O-N 3.32Å; E441-A444 PolarHBondContact O-N 3.06Å; E441-C445 PolarHBondContact O-N 3.47Å; E441-C445 PolarHBondContact O-SG 3.44Å; E441-C445 VanDerWaalsContact O-SG 3.35Å
442A33.6Very low33.6Very low60 Ų60103.6 Ų103.650%0.49658%0.575SS.*Hα-helixtrans-63.8-38.3175.100000112.2V438 A439 C445V438-A442 WeakPolarHBondContact O-CB 3.45Å; V438-A442 PolarHBondContact O-N 2.98Å; A439-A442 PolarHBondContact O-N 2.87Å; A442-C445 PolarHBondContact O-N 2.93Å
443A32.6Very low33.5Very low53 Ų53102.6 Ų102.644%0.43857%0.568SS.*Hα-helixtrans-69-36.2174.500000112.2A439 E441 C445 N446A439-A443 VanDerWaalsContact O-CB 3.26Å; A439-A443 WeakPolarHBondContact O-CB 3.48Å; A439-A443 PolarHBondContact O-N 2.94Å; E441-A443 VanDerWaalsContact C-N 3.34Å; E441-A443 PolarHBondContact O-N 3.32Å; A443-C445 VanDerWaalsContact C-N 3.3Å; A443-C445 PolarHBondContact O-N 2.92Å; A443-N446 PolarHBondContact O-N 2.89Å
444A35.3Very low33.6Very low61 Ų61102.3 Ų102.350%0.50457%0.566SS.*Hα-helixtrans-69.7-25.6176.900000113.2A440 E441 N446A440-A444 VanDerWaalsContact O-CB 3.25Å; A440-A444 WeakPolarHBondContact O-CB 3.4Å; A440-A444 PolarHBondContact O-N 2.84Å; E441-A444 PolarHBondContact O-N 3.06Å; A444-N446 VanDerWaalsContact C-N 3.29Å
445C33.1Very low33.1Very low108 Ų108100.3 Ų100.373%0.7357%0.567SS**Hα-helixtrans-73.2-18.2173.4-70.60000113.6E441 A442 A443 G447E441-C445 PolarHBondContact O-N 3.47Å; E441-C445 PolarHBondContact O-SG 3.44Å; E441-C445 VanDerWaalsContact O-SG 3.35Å; A442-C445 PolarHBondContact O-N 2.93Å; A443-C445 VanDerWaalsContact C-N 3.3Å; A443-C445 PolarHBondContact O-N 2.92Å; C445-G447 PolarHBondContact O-N 3.23Å
446N30.2Very low32.5Very low123 Ų123100.7 Ų100.766%0.65857%0.573SS**SBendtrans-86.191169.6-75.9-23000109A443 A444 A448A443-N446 PolarHBondContact O-N 2.89Å; A444-N446 VanDerWaalsContact C-N 3.29Å; N446-A448 PolarHBondContact O-N 2.67Å
447G31.3Very low32.1Very low57 Ų5797.6 Ų97.659%0.58857%0.572SS**THydrogen-bonded Turntrans-60.717.8-174.300000117.9C445C445-G447 PolarHBondContact O-N 3.23Å
448A30.4Very low31.8Very low87 Ų87100.5 Ų100.572%0.71959%0.592SS**THydrogen-bonded Turntrans-87.2-21.4178.300000113.9N446N446-A448 PolarHBondContact O-N 2.67Å
449L28.6Very low31.2Very low103 Ų103102.6 Ų102.654%0.53961%0.609SS.*SBendtrans-85.8-16.6-177.9-112.6158.6000113.8
450F33.8Very low30.8Very low100 Ų100105.1 Ų105.144%0.43962%0.623SS.*THydrogen-bonded Turntrans-79.2-33.9-173.6-153.7-93.1000113.6L454F450-L454 HydrophobicContact CD1-CD1 4.32Å; F450-L454 HydrophobicContact CE1-CD1 3.86Å; F450-L454 HydrophobicContact CZ-CD1 4.24Å
451D27.7Very low30.2Very low122 Ų122108.9 Ų108.965%0.65264%0.641SS**THydrogen-bonded Turntrans-80.6-21.5-179.1-72.3-22.9000112.9
452R30.7Very low29.9Very low208 Ų208109 Ų10979%0.78565%0.652SS**THydrogen-bonded Turntrans-87.1-23.1-175.6-147.1174.591.7135.62.7114.5
453E29.6Very low29.5Very low95 Ų95112.2 Ų112.244%0.44467%0.667SS.*SBendtrans-104.2-1.6-170.7-94.4171.9178.600115.3R301R301-E453 IonicContact CZ-OE2 3.24Å; R301-E453 PolarHBondContact NH1-O 2.84Å; R301-E453 VanDerWaalsContact NH2-CB 3.33Å; R301-E453 IonicContact NH2-OE2 3.34Å; R301-E453 PolarHBondContact NH2-OE2 3.14Å
454L35.8Very low29Very low100 Ų100114.5 Ų114.552%0.52468%0.68SS.*SBendtrans-102.2-16.5171.1-82.9160.2000113.3F450F450-L454 HydrophobicContact CD1-CD1 4.32Å; F450-L454 HydrophobicContact CE1-CD1 3.86Å; F450-L454 HydrophobicContact CZ-CD1 4.24Å
455N27.8Very low28.4Very low128 Ų128116.6 Ų116.668%0.68469%0.691SS**  trans-10235.3-176.2-73.1-12.6000113.8D457N455-D457 PolarHBondContact O-N 3.3Å
456N26.3Very low28.1Very low143 Ų143118 Ų11877%0.76570%0.696SS**  trans-91.584.7166.2-83.8-12000109
457D27Very low27.7Very low133 Ų133118.7 Ų118.771%0.71170%0.7SS**  trans-70.8131.6163.5-86.2-37.7000109.4N455 S459N455-D457 PolarHBondContact O-N 3.3Å; D457-S459 PolarHBondContact O-N 3.15Å
458P32.2Very low27.3Very low138 Ų138122.4 Ų122.490%0.89671%0.706SS**SBendtrans-72.413.7-176.1-14.428.7000115.8
459S25.4Very low26.9Very low105 Ų105122.9 Ų122.973%0.73470%0.704SS**  trans-122.868.7-177.7650000111.8D457D457-S459 PolarHBondContact O-N 3.15Å
460S26.2Very low26.7Very low110 Ų110125.3 Ų125.377%0.76972%0.723SS**  trans-152.2111.1153.652.60000110.2
461T24.2Very low26.2Very low137 Ų137124 Ų12484%0.8474%0.737SS**PPolyproline II helixtrans-63.2147.2167.922.60000110.6
462P25.8Very low25.9Very low118 Ų118126.5 Ų126.577%0.76675%0.745SS**PPolyproline II helixtrans-79.3137.2-167.931.4-33.3000111.5S464P462-S464 PolarHBondContact O-N 3.26Å
463P26.6Very low25.6Very low127 Ų127125.9 Ų125.983%0.82575%0.751SS**PPolyproline II helixtrans-79.6123.2172.130-28.1000110.3
464S21.9Very low25.2Very low101 Ų101128.6 Ų128.671%0.70676%0.764SS**PPolyproline II helixtrans-59.5139.8165.548.10000113.1P462P462-S464 PolarHBondContact O-N 3.26Å
465S21.7Very low24.8Very low106 Ų106129.7 Ų129.774%0.74178%0.78SS**  trans15112.6142.658.30000118.7
466V27.7Very low24.5Very low136 Ų136132.3 Ų132.382%0.82479%0.788SS**  trans-149.7106.8135.6-176.80000108.7
467D21.9Very low24.3Very low138 Ų138128.9 Ų128.974%0.73879%0.786SS**  trans30.2132134.2-62.2-30.4000123.9
468D22.8Very low24.2Very low136 Ų136132.1 Ų132.173%0.72779%0.794SS**  88.1107.2126.5-82-37.3000122.5
469S22.2Very low23.7Very low97 Ų97132.6 Ų132.668%0.67879%0.788SS**  65.6108115.5-62.30000118.8
470V23.7Very low23.8Very low153 Ų153136.2 Ų136.293%0.92780%0.798SS**  163.2127.4115.7164.90000108.9
471G22.9Very low23.6Very low72 Ų72136.1 Ų136.174%0.74280%0.797SS**  trans147.456.1161.300000117.1Q473G471-Q473 PolarHBondContact O-N 3.47Å
472Q21.3Very low23.6Very low175 Ų175132.7 Ų132.782%0.81879%0.79SS**  trans-56.7124.1156.6-88.5173.8-3700110.1
473Q24.9Very low23.6Very low196 Ų196136.2 Ų136.292%0.91680%0.796SS**  trans-137.4111.1144.1-79-165.2-18.300109.9G471G471-Q473 PolarHBondContact O-N 3.47Å
474H21Very low23.4Very low152 Ų152141 Ų14170%0.70480%0.797SS**  trans-65.6136.2164.7-92.3-101.4000110.8
475S27.4Very low23.8Very low123 Ų123142 Ų14286%0.8680%0.801SS**  trans-161.194.5137.656.50000109.6
476E20.6Very low24Very low182 Ų182144.1 Ų144.185%0.8580%0.804SS**  trans-71.2150.5158.7-65.9176.6134.200110.1
477G23.2Very low23.8Very low71 Ų71144 Ų14473%0.73280%0.803SS**  trans154.5106153.900000118.6
478K24.7Very low24.1Very low202 Ų202145.2 Ų145.288%0.87881%0.809SS**  trans84.2106.7146.3-67.5172.7174.5174.50118.6
479L21.2Very low24.5Very low148 Ų148143.6 Ų143.678%0.77581%0.806SS**  56.395.276.8-89150.6000114.2
480L27.3Very low24.8Very low181 Ų181146.6 Ų146.695%0.94881%0.813SS**  trans-14082.8143.7-78.7178.4000109
481S22.2Very low24.9Very low107 Ų107151 Ų15175%0.74881%0.813SS**  trans-72.3118153.250.40000108.1
482G25Very low24.8Very low66 Ų66151.6 Ų151.668%0.6881%0.811SS**  trans-145.5100.4-179.200000112.3
483H25.5Very low24.9Very low192 Ų192150.6 Ų150.689%0.88981%0.811SS**  trans60.594.6155.2-73.1-61.4000120.6
484R22.5Very low25.4Very low227 Ų227153 Ų15386%0.85783%0.83SS**PPolyproline II helixtrans-73.9131.6141.2-139.6-179-170.4-175.21.4108
485P30.3Very low25.6Very low121 Ų121153.1 Ų153.179%0.78684%0.837SS**PPolyproline II helixtrans-79126165.525.7-20.7000109
486D26.7Very low25.5Very low151 Ų151154.6 Ų154.681%0.80784%0.835SS**PPolyproline II helixtrans-61.2144.6177.3-75.5-47.8000112.5
487V23.6Very low25.7Very low133 Ų133153.1 Ų153.181%0.80683%0.834SS**PPolyproline II helixtrans-61.2128163.9173.20000108.7
488L26.2Very low25.9Very low165 Ų165157.9 Ų157.986%0.86484%0.84SS**  trans-115.8127.3159-86.2168.9000109.4
489P31.2Very low26Very low102 Ų102155.2 Ų155.266%0.66284%0.838SS**  trans-96142-178.636.3-29.8000111.1
490I29.6Very low26.3Very low160 Ų160155.7 Ų155.782%0.82184%0.842SS**  trans-13198.2170.4-60177.8000109
491W25.9Very low26.2Very low245 Ų245153.9 Ų153.993%0.92884%0.835SS**  trans44.3116.4146-62.8-6.5000121.9
492A21.6Very low26.5Very low84 Ų84157.5 Ų157.569%0.69484%0.841SS**  trans-80.7161.6141.900000110.4
493D22.4Very low26.6Very low155 Ų155165.1 Ų165.183%0.82986%0.855SS**  trans84.492.3167.8-55.3-22.1000117.4
494D34.4Very low26.8Very low246 Ų246162.6 Ų162.6100%1.31685%0.852SS**  -1530118-95.2-24000110.3

Retrieved 494 of 494 residues in 166.2 ms (Link to these results)