A0A090N8Y6_HUMAN Loading...

Growth hormone-releasing hormone receptor

Receptor for GRF, coupled to G proteins which activate adenylyl cyclase. Stimulates somatotroph cell growth, growth hormone gene transcription and growth hormone secretion.

AlphaFold DB (Q02643), UniProt , Accession A0A090N8Y6, Species HUMAN (Homo sapiens, Human), Gene GHRHR, Length 423 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
1M40.4Very low37.6Very low239 Ų239181.7 Ų181.7100%1.17789%0.886SS**  0102.30-61.7159.697.800106
2D41.6Very low37.1Very low159 Ų159176.3 Ų176.385%0.8588%0.878SS**  cis-146.1133.33.1-117.2-36.6000108
3R40.3Very low36.9Very low250 Ų250173.8 Ų173.894%0.94388%0.877SS**  trans-118.644.5-165.3-148.5-176.9-159.2-1715.5111
4R42.4Very low36.6Very low235 Ų235172.4 Ų172.489%0.88787%0.872SS**  trans-145.476.1-175.8-76.7-173.9176.5-176.8-0.8111.8
5M41.7Very low36.5Very low184 Ų184167.9 Ų167.991%0.90686%0.863SS**  trans-160.744.6161.2-123.1167.271.600111.4
6W36Very low36.4Very low270 Ų270164.9 Ų164.9100%1.02386%0.857SS**SBendtrans-128.380.9170-9256.2000106.4
7G34.6Very low36Very low78 Ų78164.5 Ų164.580%0.80486%0.856SS**SBendtrans-177.714.1-175.200000117.2
8A34.6Very low36.1Very low80 Ų80161.2 Ų161.266%0.66185%0.846SS**SBendtrans-133.83.9-172.300000116.1
9H32.5Very low35.9Very low193 Ų193159.9 Ų159.989%0.89485%0.846SS**SBendtrans-116.411.3179.9-80.7-64.1000115.3
10V37.7Very low36Very low138 Ų138156 Ų15684%0.83683%0.828SS**SBendtrans-113.15.6178.3-177.90000112.1
11F32.5Very low35.8Very low173 Ų173156.1 Ų156.176%0.75983%0.828SS**SBendtrans-116.818.9-172-116.4-86.7000115.8
12C30.9Very low35.5Very low117 Ų117146.4 Ų146.479%0.79179%0.79SS**  trans-115.928178-76.60000114.7
13V34.6Very low35.3Very low144 Ų144145 Ų14587%0.87378%0.778SS**SBendtrans-11728171.6-164.80000111.4
14L32.9Very low35.6Very low153 Ų153135.6 Ų135.680%0.80175%0.745SS**  trans-122.771.1167.6-78.2160.9000107
15S34.7Very low35.9Very low105 Ų105127.1 Ų127.173%0.73472%0.715SS**  trans-106.8137.5162.1-73.70000107.9
16P34.5Very low36.4Very low120 Ų120121.3 Ų121.378%0.77969%0.691SS**  trans-66.8142.1-169.630.7-33.7000109.5
17L30.7Very low37.4Very low158 Ų158113.1 Ų113.183%0.82766%0.664SS**  trans-33.3118.5166.4-113.372000110.5T19L17-T19 PolarHBondContact O-N 2.76Å
18P36.7Very low38.7Very low105 Ų105109.4 Ų109.468%0.68263%0.626SS**  trans-68.3123.2151.9511.4000105.5V20P18-V20 VanDerWaalsContact C-N 3.26Å; P18-V20 PolarHBondContact O-N 3.48Å
19T33.1Very low40.1Very low138 Ų138110.1 Ų110.185%0.84762%0.619SS**  trans-61.692.2168.4-27.30000107.1L17 L21L17-T19 PolarHBondContact O-N 2.76Å; T19-L21 PolarHBondContact O-N 3.06Å
20V37.6Very low42Very low81 Ų81104.5 Ų104.549%0.49159%0.592SS.*  trans-75.6105.7177.9177.40000107.3P18 G22P18-V20 VanDerWaalsContact C-N 3.26Å; P18-V20 PolarHBondContact O-N 3.48Å; V20-G22 PolarHBondContact O-N 3.42Å; V20-G22 VanDerWaalsContact O-N 3.08Å
21L32Very low43.7Very low158 Ų158100.9 Ų100.983%0.82757%0.568SS**  trans-64.2101.9164-131.887.9000106.4T19 H23T19-L21 PolarHBondContact O-N 3.06Å; L21-H23 PolarHBondContact O-N 3.35Å
22G34.9Very low45.8Very low36 Ų3694.4 Ų94.437%0.37154%0.542SS..PPolyproline II helixtrans-74.6117.717900000110.3V20V20-G22 PolarHBondContact O-N 3.42Å; V20-G22 VanDerWaalsContact O-N 3.08Å
23H37.5Very low48.1Very low130 Ų13093.2 Ų93.260%0.60253%0.525SS*.PPolyproline II helixtrans-75.7149.9157.2-88.8-5.2000110.1L21 I270L21-H23 PolarHBondContact O-N 3.35Å; H23-I270 CarbonylContact C-O 3.59Å; H23-I270 HydrophobicContact CB-CG2 4.25Å
24M44.9Very low50.4Low52 Ų5288.5 Ų88.526%0.25650%0.495SS..PPolyproline II helixtrans-92.5167.4-154.5-50.7179.782.900111.3C28 T32 C195M24-C28 HydrophobicContact CB-CB 3.36Å; M24-C28 HydrophobicContact CE-CB 4.14Å; M24-C28 HydrophobicContact CG-CB 4.38Å; M24-C28 HydrophobicContact SD-CB 4.34Å; M24-T32 PolarHBondContact SD-OG1 3.26Å; M24-C195 HydrophobicContact CE-CB 3.3Å; M24-C195 WeakPolarHBondContact CE-O 3.15Å
25H49.8Very low52.8Low56 Ų5688.5 Ų88.526%0.25948%0.484SS..PPolyproline II helixtrans-56.6153175.4-161.9-106.4000110.7E27 C28 D29H25-E27 IonicContact ND1-OE2 3.62Å; H25-E27 PolarHBondContact O-N 3.03Å; H25-E27 VanDerWaalsContact O-N 3.14Å; H25-C28 HydrophobicContact CB-CB 4.23Å; H25-C28 CarbonylContact O-C 3.36Å; H25-C28 WeakPolarHBondContact O-CA 3.09Å; H25-C28 WeakPolarHBondContact O-CB 3.49Å; H25-C28 PolarHBondContact O-N 3.1Å; H25-D29 PolarHBondContact O-N 3.44Å
26P52.7Low55.3Low62 Ų6288.6 Ų88.640%0.40347%0.473SS..Hα-helixtrans-59.4-27.1176.321.6-33.3000113.2C28 D29 F30 L275P26-C28 VanDerWaalsContact C-N 3.25Å; P26-C28 PolarHBondContact O-N 3.43Å; P26-D29 WeakPolarHBondContact O-CB 3.4Å; P26-D29 PolarHBondContact O-N 2.78Å; P26-F30 PolarHBondContact O-N 2.87Å; P26-L275 HydrophobicContact CG-CD1 3.71Å
27E56.2Low57.8Low98 Ų9885.7 Ų85.746%0.45845%0.451SS..Hα-helixtrans-67.5-30.3168.6-65.7-169.5154.900112.8H25 F30 I31H25-E27 IonicContact ND1-OE2 3.62Å; H25-E27 PolarHBondContact O-N 3.03Å; H25-E27 VanDerWaalsContact O-N 3.14Å; E27-F30 VanDerWaalsContact C-CE1 3.5Å; E27-F30 VanDerWaalsContact CA-CD1 3.4Å; E27-F30 HydrophobicContact CB-CD1 4.22Å; E27-F30 HydrophobicContact CB-CE1 3.53Å; E27-F30 HydrophobicContact CB-CZ 4.27Å; E27-F30 HydrophobicContact CG-CE1 3.93Å; E27-F30 WeakPolarHBondContact O-CD1 3.26Å; E27-F30 WeakPolarHBondContact O-CE1 3.31Å; E27-F30 WeakPolarHBondContact O-CG 3.49Å; E27-F30 WeakPolarHBondContact O-CZ 3.42Å; E27-I31 VanDerWaalsContact O-CG1 3.31Å; E27-I31 WeakPolarHBondContact O-CG1 2.95Å; E27-I31 PolarHBondContact O-N 3.41Å
28C62.1Low60.6Low0 Ų081.9 Ų81.90%043%0.429CS..Hα-helixtrans-80.1-21.5172.7-59.40000112.5M24 H25 P26 I31 T32 C195M24-C28 HydrophobicContact CB-CB 3.36Å; M24-C28 HydrophobicContact CE-CB 4.14Å; M24-C28 HydrophobicContact CG-CB 4.38Å; M24-C28 HydrophobicContact SD-CB 4.34Å; H25-C28 HydrophobicContact CB-CB 4.23Å; H25-C28 CarbonylContact O-C 3.36Å; H25-C28 WeakPolarHBondContact O-CA 3.09Å; H25-C28 WeakPolarHBondContact O-CB 3.49Å; H25-C28 PolarHBondContact O-N 3.1Å; P26-C28 VanDerWaalsContact C-N 3.25Å; P26-C28 PolarHBondContact O-N 3.43Å; C28-I31 PolarHBondContact O-N 2.97Å; C28-T32 WeakPolarHBondContact O-CB 3.3Å; C28-T32 PolarHBondContact O-N 3.31Å; C28-T32 PolarHBondContact O-OG1 3.29Å; C28-C195 VanDerWaalsContact CA-SG 3.58Å; C28-C195 HydrophobicContact CB-CB 3.98Å; C28-C195 WeakPolarHBondContact CB-SG 3.39Å; C28-C195 WeakPolarHBondContact SG-CA 3.25Å; C28-C195 WeakPolarHBondContact SG-CB 3.46Å; C28-C195 PolarHBondContact SG-N 3.36Å; C28-C195 CovalentContact SG-SG 2.05Å; C28-C195 PolarHBondContact SG-SG 2.79Å
29D64.7Low63.1Low95 Ų9579.5 Ų79.551%0.50842%0.415SS..Hα-helixtrans-63.4-45171.9-71.3-17.7000110.1H25 P26 T32 Q33H25-D29 PolarHBondContact O-N 3.44Å; P26-D29 WeakPolarHBondContact O-CB 3.4Å; P26-D29 PolarHBondContact O-N 2.78Å; D29-T32 PolarHBondContact O-N 2.91Å; D29-Q33 VanDerWaalsContact O-CB 3.32Å; D29-Q33 WeakPolarHBondContact O-CB 3.37Å; D29-Q33 PolarHBondContact O-N 3.35Å
30F71.4Confident65.8Low76 Ų7675.5 Ų75.533%0.33340%0.396SS..Hα-helixtrans-67.9-39.117678.6-108.5000112.5P26 E27 T32 Q33 L34 F81P26-F30 PolarHBondContact O-N 2.87Å; E27-F30 VanDerWaalsContact C-CE1 3.5Å; E27-F30 VanDerWaalsContact CA-CD1 3.4Å; E27-F30 HydrophobicContact CB-CD1 4.22Å; E27-F30 HydrophobicContact CB-CE1 3.53Å; E27-F30 HydrophobicContact CB-CZ 4.27Å; E27-F30 HydrophobicContact CG-CE1 3.93Å; E27-F30 WeakPolarHBondContact O-CD1 3.26Å; E27-F30 WeakPolarHBondContact O-CE1 3.31Å; E27-F30 WeakPolarHBondContact O-CG 3.49Å; E27-F30 WeakPolarHBondContact O-CZ 3.42Å; F30-T32 VanDerWaalsContact C-N 3.31Å; F30-T32 PolarHBondContact O-N 3.36Å; F30-Q33 PolarHBondContact O-N 3.37Å; F30-L34 WeakPolarHBondContact O-CB 3.5Å; F30-L34 PolarHBondContact O-N 3.46Å; F30-F81 HydrophobicContact CB-CB 4.17Å
31I73.9Confident68.3Low62 Ų6271.8 Ų71.832%0.31837%0.373SS..Hα-helixtrans-65.6-39.4177.3-66.1172.8000110.3E27 C28 L34 R35E27-I31 VanDerWaalsContact O-CG1 3.31Å; E27-I31 WeakPolarHBondContact O-CG1 2.95Å; E27-I31 PolarHBondContact O-N 3.41Å; C28-I31 PolarHBondContact O-N 2.97Å; I31-L34 PolarHBondContact O-N 2.97Å; I31-R35 WeakPolarHBondContact O-CB 3.5Å; I31-R35 PolarHBondContact O-N 3.34Å
32T75.2Confident71.1Confident37 Ų3768.4 Ų68.423%0.22736%0.356CS..Hα-helixtrans-68.1-45.7178.4-56.90000109.9M24 C28 D29 F30 L34 R35 E36M24-T32 PolarHBondContact SD-OG1 3.26Å; C28-T32 WeakPolarHBondContact O-CB 3.3Å; C28-T32 PolarHBondContact O-N 3.31Å; C28-T32 PolarHBondContact O-OG1 3.29Å; D29-T32 PolarHBondContact O-N 2.91Å; F30-T32 VanDerWaalsContact C-N 3.31Å; F30-T32 PolarHBondContact O-N 3.36Å; T32-L34 VanDerWaalsContact C-N 3.34Å; T32-L34 PolarHBondContact O-N 3.29Å; T32-R35 PolarHBondContact O-N 3.44Å; T32-E36 HydrophobicContact CG2-CG 4.45Å; T32-E36 WeakPolarHBondContact O-CB 3.49Å; T32-E36 WeakPolarHBondContact O-CG 3.37Å; T32-E36 PolarHBondContact O-N 3.1Å
33Q79Confident73.7Confident92 Ų9272.7 Ų72.743%0.4337%0.366SS..Hα-helixtrans-56.6-47.5173.8-17463.444.800111.4D29 F30 R35 E36 D37D29-Q33 VanDerWaalsContact O-CB 3.32Å; D29-Q33 WeakPolarHBondContact O-CB 3.37Å; D29-Q33 PolarHBondContact O-N 3.35Å; F30-Q33 PolarHBondContact O-N 3.37Å; Q33-R35 VanDerWaalsContact C-N 3.3Å; Q33-R35 PolarHBondContact O-N 3.41Å; Q33-E36 PolarHBondContact O-N 3.36Å; Q33-D37 PolarHBondContact NE2-OD1 3.48Å; Q33-D37 WeakPolarHBondContact O-CB 3.1Å; Q33-D37 PolarHBondContact O-N 2.87Å
34L83.5Confident76Confident45 Ų4568.5 Ų68.524%0.23635%0.354CS..Hα-helixtrans-63.2-37.2179.8-164.574.2000112.2F30 I31 T32 E38 W59 F81F30-L34 WeakPolarHBondContact O-CB 3.5Å; F30-L34 PolarHBondContact O-N 3.46Å; I31-L34 PolarHBondContact O-N 2.97Å; T32-L34 VanDerWaalsContact C-N 3.34Å; T32-L34 PolarHBondContact O-N 3.29Å; L34-E38 WeakPolarHBondContact O-CB 3.21Å; L34-E38 PolarHBondContact O-N 3.33Å; L34-W59 HydrophobicContact CD1-CH2 4.1Å; L34-W59 HydrophobicContact CD1-CZ2 4.04Å; L34-W59 HydrophobicContact CG-CZ2 4.17Å; L34-F81 HydrophobicContact CD1-CE1 4.03Å
35R84.4Confident77.9Confident152 Ų15267.8 Ų67.857%0.57436%0.356SS*.Hα-helixtrans-71-37.8175.7-178177.8-73.7140.1-3112I31 T32 Q33 S39I31-R35 WeakPolarHBondContact O-CB 3.5Å; I31-R35 PolarHBondContact O-N 3.34Å; T32-R35 PolarHBondContact O-N 3.44Å; Q33-R35 VanDerWaalsContact C-N 3.3Å; Q33-R35 PolarHBondContact O-N 3.41Å; R35-S39 WeakPolarHBondContact O-CB 3.42Å; R35-S39 PolarHBondContact O-N 3.06Å; R35-S39 PolarHBondContact O-OG 2.87Å
36E86.2Confident79.4Confident108 Ų10873.2 Ų73.251%0.50538%0.381SS..Hα-helixtrans-63.1-46.5173.3-75.2-179.5-179.200110.3T32 Q33 E38 S39 A40T32-E36 HydrophobicContact CG2-CG 4.45Å; T32-E36 WeakPolarHBondContact O-CB 3.49Å; T32-E36 WeakPolarHBondContact O-CG 3.37Å; T32-E36 PolarHBondContact O-N 3.1Å; Q33-E36 PolarHBondContact O-N 3.36Å; E36-E38 PolarHBondContact O-N 3.11Å; E36-S39 PolarHBondContact O-N 2.84Å; E36-S39 PolarHBondContact O-OG 3.46Å; E36-A40 WeakPolarHBondContact O-CB 3.37Å; E36-A40 PolarHBondContact O-N 3.5Å
37D86.7Confident80.6Confident58 Ų5878.2 Ų78.231%0.3140%0.4SS..Hα-helixtrans-61.4-43.2176.6-67.3-15000111.9Q33 A40 C41 W59Q33-D37 PolarHBondContact NE2-OD1 3.48Å; Q33-D37 WeakPolarHBondContact O-CB 3.1Å; Q33-D37 PolarHBondContact O-N 2.87Å; D37-A40 PolarHBondContact O-N 3.28Å; D37-C41 WeakPolarHBondContact O-CB 3.31Å; D37-C41 PolarHBondContact O-N 2.84Å; D37-W59 HydrophobicContact CB-CH2 3.92Å; D37-W59 HydrophobicContact CB-CZ3 4.16Å
38E89.6Confident81.3Confident78 Ų7878.1 Ų78.136%0.36440%0.4SS..Hα-helixtrans-57.9-50.2172.4176.2177.6-157.300110.7L34 E36 A40 C41 L42 W59L34-E38 WeakPolarHBondContact O-CB 3.21Å; L34-E38 PolarHBondContact O-N 3.33Å; E36-E38 PolarHBondContact O-N 3.11Å; E38-A40 PolarHBondContact O-N 2.99Å; E38-C41 WeakPolarHBondContact O-CB 3.35Å; E38-C41 PolarHBondContact O-N 3.46Å; E38-L42 HydrophobicContact CG-CD1 4.08Å; E38-L42 HydrophobicContact CG-CG 4.48Å; E38-L42 WeakPolarHBondContact O-CG 3.42Å; E38-L42 PolarHBondContact O-N 3.5Å; E38-W59 HydrophobicContact CB-CD2 4.18Å; E38-W59 HydrophobicContact CB-CZ2 3.92Å; E38-W59 HydrophobicContact CG-CD2 4.37Å; E38-W59 HydrophobicContact CG-CG 4.23Å
39S90.5Very high81.4Confident56 Ų5683 Ų8339%0.39243%0.432SS..Hα-helixtrans-63.7-40.4-177.875.40000112.6R35 E36 C41 L42 Q43R35-S39 WeakPolarHBondContact O-CB 3.42Å; R35-S39 PolarHBondContact O-N 3.06Å; R35-S39 PolarHBondContact O-OG 2.87Å; E36-S39 PolarHBondContact O-N 2.84Å; E36-S39 PolarHBondContact O-OG 3.46Å; S39-C41 VanDerWaalsContact C-N 3.34Å; S39-L42 PolarHBondContact O-N 3.49Å; S39-Q43 WeakPolarHBondContact O-CB 3.42Å; S39-Q43 VanDerWaalsContact O-CG 3.3Å; S39-Q43 WeakPolarHBondContact O-CG 3.42Å; S39-Q43 PolarHBondContact O-N 2.79Å
40A89.8Confident81.2Confident54 Ų5486.4 Ų86.445%0.44645%0.45SS..Hα-helixtrans-65.5-39.3176.100000111.2E36 D37 E38 A44E36-A40 WeakPolarHBondContact O-CB 3.37Å; E36-A40 PolarHBondContact O-N 3.5Å; D37-A40 PolarHBondContact O-N 3.28Å; E38-A40 PolarHBondContact O-N 2.99Å; A40-A44 WeakPolarHBondContact O-CB 3.28Å; A40-A44 PolarHBondContact O-N 3.49Å
41C90.2Very high80.7Confident3 Ų388.3 Ų88.32%0.0247%0.468CS..Hα-helixtrans-63.9-47.2176.7-1690000112.2D37 E38 S39 A44 A45 W59 C64D37-C41 WeakPolarHBondContact O-CB 3.31Å; D37-C41 PolarHBondContact O-N 2.84Å; E38-C41 WeakPolarHBondContact O-CB 3.35Å; E38-C41 PolarHBondContact O-N 3.46Å; S39-C41 VanDerWaalsContact C-N 3.34Å; C41-A44 PolarHBondContact O-N 3.35Å; C41-A45 WeakPolarHBondContact O-CB 3.44Å; C41-A45 PolarHBondContact O-N 2.86Å; C41-W59 HydrophobicContact CB-CB 4.49Å; C41-W59 HydrophobicContact CB-CE3 3.9Å; C41-C64 WeakPolarHBondContact CA-SG 3.22Å; C41-C64 HydrophobicContact CB-CB 3.53Å; C41-C64 WeakPolarHBondContact CB-SG 3.47Å; C41-C64 WeakPolarHBondContact SG-CA 3.32Å; C41-C64 WeakPolarHBondContact SG-CB 3.43Å; C41-C64 CovalentContact SG-SG 2.03Å; C41-C64 PolarHBondContact SG-SG 3.25Å
42L90.2Very high80Confident87 Ų8791.7 Ų91.746%0.45549%0.492SS..Hα-helixtrans-65.6-39.5-179.2-66.3178.2000111.6E38 S39 A45 E46 W59E38-L42 HydrophobicContact CG-CD1 4.08Å; E38-L42 HydrophobicContact CG-CG 4.48Å; E38-L42 WeakPolarHBondContact O-CG 3.42Å; E38-L42 PolarHBondContact O-N 3.5Å; S39-L42 PolarHBondContact O-N 3.49Å; L42-A45 PolarHBondContact O-N 3.37Å; L42-E46 PolarHBondContact O-N 2.68Å; L42-W59 HydrophobicContact CD2-CB 4.49Å
43Q89.3Confident80Confident125 Ų12597.1 Ų97.158%0.58452%0.519SS*.Hα-helixtrans-62-46.4173.4-73.8176.26.600111.8S39 A45 E46 E47S39-Q43 WeakPolarHBondContact O-CB 3.42Å; S39-Q43 VanDerWaalsContact O-CG 3.3Å; S39-Q43 WeakPolarHBondContact O-CG 3.42Å; S39-Q43 PolarHBondContact O-N 2.79Å; Q43-A45 VanDerWaalsContact C-N 3.26Å; Q43-A45 PolarHBondContact O-N 3.15Å; Q43-E46 PolarHBondContact O-N 2.96Å; Q43-E47 PolarHBondContact O-N 2.58Å
44A85.4Confident80.2Confident43 Ų4394.5 Ų94.536%0.35552%0.517SS..Hα-helixtrans-63.7-32.1177.400000112.7A40 C41A40-A44 WeakPolarHBondContact O-CB 3.28Å; A40-A44 PolarHBondContact O-N 3.49Å; C41-A44 PolarHBondContact O-N 3.35Å
45A84.6Confident80.4Confident36 Ų3692.6 Ų92.630%0.29851%0.507SS..Hα-helixtrans-71-34175.600000112.6C41 L42 Q43 A57C41-A45 WeakPolarHBondContact O-CB 3.44Å; C41-A45 PolarHBondContact O-N 2.86Å; L42-A45 PolarHBondContact O-N 3.37Å; Q43-A45 VanDerWaalsContact C-N 3.26Å; Q43-A45 PolarHBondContact O-N 3.15Å; A45-A57 HydrophobicContact CB-CB 4.11Å
46E82.5Confident80.6Confident170 Ų17089.6 Ų89.679%0.79451%0.507SS*.Hα-helixtrans-73-33.7176.9-76.1-174.5168.200113.3L42 Q43 M48L42-E46 PolarHBondContact O-N 2.68Å; Q43-E46 PolarHBondContact O-N 2.96Å; E46-M48 PolarHBondContact O-N 3.47Å
47E77.8Confident80.7Confident168 Ų16885.3 Ų85.379%0.78549%0.49SS*.SBendtrans-72-14.3-179.9-71-175.116900113.5Q43Q43-E47 PolarHBondContact O-N 2.58Å
48M70.5Confident80.9Confident95 Ų9585 Ų8547%0.46849%0.49SS..SBendtrans-88.4120.2-172.1-123.8153.6-108.900112.1E46 N50 T67E46-M48 PolarHBondContact O-N 3.47Å; M48-N50 PolarHBondContact O-N 3.34Å; M48-T67 HydrophobicContact CG-CG2 4.5Å; M48-T67 HydrophobicContact SD-CG2 3.59Å; M48-T67 VanDerWaalsContact SD-CG2 3.59Å
49P63.9Low80.9Confident102 Ų10283.1 Ų83.166%0.66248%0.48SS*.  trans-66135.6-179.324.8-31.6000110.8T51P49-T51 VanDerWaalsContact C-N 3.31Å; P49-T51 PolarHBondContact O-N 2.96Å; P49-T51 PolarHBondContact O-OG1 3.06Å
50N60.9Low80.8Confident167 Ų16782.7 Ų82.789%0.89347%0.473SS*.  trans-49.387177.8-84.6-20.1000112.1M48M48-N50 PolarHBondContact O-N 3.34Å
51T59.9Low80.6Confident116 Ų11681.9 Ų81.971%0.71247%0.47SS*.  trans-92.3111.3176.9-48.40000106.7P49 L53P49-T51 VanDerWaalsContact C-N 3.31Å; P49-T51 PolarHBondContact O-N 2.96Å; P49-T51 PolarHBondContact O-OG1 3.06Å; T51-L53 PolarHBondContact O-N 2.81Å
52T60.9Low80.5Confident133 Ų13383.8 Ų83.882%0.81648%0.48SS*.THydrogen-bonded Turntrans-75.110.6-159.937.60000116.2
53L74.1Confident80.5Confident151 Ų15180.6 Ų80.679%0.79146%0.463SS*.THydrogen-bonded Turntrans-131.330-169.4-114.997.4000116.1T51T51-L53 PolarHBondContact O-N 2.81Å
54G83.5Confident80.6Confident38 Ų3876.8 Ų76.839%0.39245%0.45SS..EExtended strand (participates in β ladder)trans-160.8-171177.800000113.6A68G54-A68 CarbonylContact C-O 3.03Å; G54-A68 VanDerWaalsContact CA-O 3.24Å; G54-A68 WeakPolarHBondContact CA-O 2.98Å
55C87.6Confident80.9Confident4 Ų474.8 Ų74.83%0.02743%0.433CS..EExtended strand (participates in β ladder)trans-89.9128.5175.9-57.60000109.5T67 A68 C96 G100 W101C55-T67 WeakPolarHBondContact O-CA 3.41Å; C55-A68 PolarHBondContact N-O 3.42Å; C55-A68 PolarHBondContact O-N 2.92Å; C55-C96 HydrophobicContact CB-CB 3.85Å; C55-C96 WeakPolarHBondContact CB-SG 3.18Å; C55-C96 PolarHBondContact N-SG 3.29Å; C55-C96 WeakPolarHBondContact SG-CA 3.28Å; C55-C96 WeakPolarHBondContact SG-CB 3.32Å; C55-C96 CovalentContact SG-SG 2.04Å; C55-C96 PolarHBondContact SG-SG 2.78Å; C55-G100 VanDerWaalsContact SG-C 3.5Å; C55-W101 HydrophobicContact CB-CD2 3.88Å; C55-W101 HydrophobicContact CB-CG 4.13Å; C55-W101 HydrophobicContact CB-CZ2 3.72Å
56P87.9Confident81.2Confident89 Ų8975.8 Ų75.858%0.57844%0.437SS*.PPolyproline II helixtrans-70160.5-179.930.4-35.2000111.1T58 W101P56-T58 PolarHBondContact O-N 3.41Å; P56-W101 PolarHBondContact O-NE1 3.04Å
57A89.1Confident81.5Confident18 Ų1871.2 Ų71.215%0.14942%0.42CS..PPolyproline II helixtrans-61.4137170.600000110A45 W65 T67A45-A57 HydrophobicContact CB-CB 4.11Å; A57-W65 CarbonylContact C-O 3.54Å; A57-W65 WeakPolarHBondContact CA-O 3.5Å; A57-W65 WeakPolarHBondContact CB-O 3.08Å; A57-T67 HydrophobicContact CB-CG2 4.16Å
58T90.1Very high82Confident51 Ų5163.6 Ų63.631%0.31339%0.386SS..EExtended strand (participates in β ladder)trans-148.2143.5-176.3-165.20000112P56 W65 W101P56-T58 PolarHBondContact O-N 3.41Å; T58-W65 HydrophobicContact CG2-CB 4Å; T58-W65 HydrophobicContact CG2-CG 4.45Å; T58-W65 PolarHBondContact N-O 3.1Å; T58-W65 WeakPolarHBondContact O-CB 3.45Å; T58-W65 PolarHBondContact O-N 3.15Å; T58-W101 VanDerWaalsContact CG2-CD1 3.5Å; T58-W101 HydrophobicContact CG2-CG 4.3Å
59W90.5Very high82.8Confident40 Ų4060.6 Ų60.615%0.15238%0.38CS..EExtended strand (participates in β ladder)trans-93.6126.9171.4-178.9-112000109.3L34 D37 E38 C41 L42 L62 C64L34-W59 HydrophobicContact CD1-CH2 4.1Å; L34-W59 HydrophobicContact CD1-CZ2 4.04Å; L34-W59 HydrophobicContact CG-CZ2 4.17Å; D37-W59 HydrophobicContact CB-CH2 3.92Å; D37-W59 HydrophobicContact CB-CZ3 4.16Å; E38-W59 HydrophobicContact CB-CD2 4.18Å; E38-W59 HydrophobicContact CB-CZ2 3.92Å; E38-W59 HydrophobicContact CG-CD2 4.37Å; E38-W59 HydrophobicContact CG-CG 4.23Å; C41-W59 HydrophobicContact CB-CB 4.49Å; C41-W59 HydrophobicContact CB-CE3 3.9Å; L42-W59 HydrophobicContact CD2-CB 4.49Å; W59-L62 VanDerWaalsContact CH2-C 3.45Å; W59-L62 VanDerWaalsContact CH2-O 3.25Å; W59-L62 WeakPolarHBondContact CH2-O 3.46Å; W59-C64 HydrophobicContact CE3-CB 4.02Å; W59-C64 HydrophobicContact CZ3-CB 4.2Å
60D88.3Confident83.9Confident47 Ų4759.1 Ų59.125%0.25137%0.372SS..  trans-1049.6-179.174.7-7.2000114.2L62 L63 W65 R94 Y108D60-L62 PolarHBondContact OD1-N 3.12Å; D60-L63 PolarHBondContact N-O 3.04Å; D60-L63 PolarHBondContact OD1-N 3.44Å; D60-W65 VanDerWaalsContact CG-NE1 3.3Å; D60-W65 PolarHBondContact OD2-NE1 3.4Å; D60-R94 IonicContact OD2-NH1 3.8Å; D60-Y108 VanDerWaalsContact CG-OH 3.27Å; D60-Y108 PolarHBondContact OD1-OH 3.4Å; D60-Y108 WeakPolarHBondContact OD2-CE2 3.47Å; D60-Y108 PolarHBondContact OD2-OH 3.49Å
61G85.9Confident85.1Confident37 Ų3753.7 Ų53.738%0.38136%0.356SS..SBendtrans97.9-14.8-17600000114.3
62L87.6Confident86.5Confident43 Ų4353.1 Ų53.123%0.22535%0.345CS..SBendtrans-132.4-42.9-179.7-78.9157.3000112.8W59 D60 P79 F81 F82 Y108W59-L62 VanDerWaalsContact CH2-C 3.45Å; W59-L62 VanDerWaalsContact CH2-O 3.25Å; W59-L62 WeakPolarHBondContact CH2-O 3.46Å; D60-L62 PolarHBondContact OD1-N 3.12Å; L62-P79 HydrophobicContact CD2-CG 4.49Å; L62-F81 HydrophobicContact CD2-CE1 4.4Å; L62-F81 HydrophobicContact CD2-CZ 3.93Å; L62-F82 HydrophobicContact CD2-CE2 4.2Å; L62-F82 HydrophobicContact CD2-CZ 4.4Å; L62-Y108 HydrophobicContact CB-CE1 3.96Å; L62-Y108 HydrophobicContact CB-CE2 4.5Å; L62-Y108 HydrophobicContact CD1-CD1 3.69Å; L62-Y108 HydrophobicContact CD1-CD2 3.81Å; L62-Y108 HydrophobicContact CD1-CE1 3.82Å; L62-Y108 HydrophobicContact CD1-CE2 3.93Å; L62-Y108 HydrophobicContact CD1-CG 3.69Å
63L90.9Very high87.9Confident19 Ų1954 Ų5410%0.09933%0.333CS..  trans-128.8147.6-175.1-70174000111.5D60 L76 P77 P79 V92 Y108D60-L63 PolarHBondContact N-O 3.04Å; D60-L63 PolarHBondContact OD1-N 3.44Å; L63-L76 HydrophobicContact CB-CD1 4.29Å; L63-L76 HydrophobicContact CD1-CB 3.99Å; L63-P77 WeakPolarHBondContact CD1-O 3.36Å; L63-P77 WeakPolarHBondContact CD2-O 3.39Å; L63-P79 HydrophobicContact CD2-CG 3.72Å; L63-P79 HydrophobicContact CG-CG 4.16Å; L63-V92 HydrophobicContact CD1-CB 4.48Å; L63-Y108 HydrophobicContact CD1-CE1 3.93Å; L63-Y108 WeakPolarHBondContact CD1-OH 3.25Å; L63-Y108 HydrophobicContact CG-CE1 4.34Å
64C91.8Very high88.8Confident46 Ų4647.7 Ų47.731%0.31130%0.301SS..EExtended strand (participates in β ladder)trans-88.7109.4170.9-1700000110.2C41 W59 L76C41-C64 WeakPolarHBondContact CA-SG 3.22Å; C41-C64 HydrophobicContact CB-CB 3.53Å; C41-C64 WeakPolarHBondContact CB-SG 3.47Å; C41-C64 WeakPolarHBondContact SG-CA 3.32Å; C41-C64 WeakPolarHBondContact SG-CB 3.43Å; C41-C64 CovalentContact SG-SG 2.03Å; C41-C64 PolarHBondContact SG-SG 3.25Å; W59-C64 HydrophobicContact CE3-CB 4.02Å; W59-C64 HydrophobicContact CZ3-CB 4.2Å; C64-L76 VanDerWaalsContact O-CD1 3.3Å; C64-L76 WeakPolarHBondContact O-CD1 3.45Å
65W91.7Very high89.3Confident0 Ų049.3 Ų49.30%030%0.303CS..EExtended strand (participates in β ladder)trans-80.9121.7176.4-66.388.4000109.8A57 T58 D60 V74 L76 V92 R94 W101A57-W65 CarbonylContact C-O 3.54Å; A57-W65 WeakPolarHBondContact CA-O 3.5Å; A57-W65 WeakPolarHBondContact CB-O 3.08Å; T58-W65 HydrophobicContact CG2-CB 4Å; T58-W65 HydrophobicContact CG2-CG 4.45Å; T58-W65 PolarHBondContact N-O 3.1Å; T58-W65 WeakPolarHBondContact O-CB 3.45Å; T58-W65 PolarHBondContact O-N 3.15Å; D60-W65 VanDerWaalsContact CG-NE1 3.3Å; D60-W65 PolarHBondContact OD2-NE1 3.4Å; W65-V74 HydrophobicContact CE3-CB 4.24Å; W65-V74 HydrophobicContact CE3-CG1 4.11Å; W65-V74 HydrophobicContact CZ3-CB 4.16Å; W65-V74 HydrophobicContact CZ3-CG1 4.12Å; W65-L76 HydrophobicContact CD2-CD1 4.04Å; W65-L76 HydrophobicContact CE3-CD1 3.96Å; W65-L76 HydrophobicContact CE3-CG 4.49Å; W65-L76 HydrophobicContact CH2-CD1 4.47Å; W65-L76 HydrophobicContact CZ3-CD1 4.19Å; W65-L76 HydrophobicContact CZ3-CG 4.31Å; W65-V92 HydrophobicContact CH2-CB 4.45Å; W65-V92 HydrophobicContact CH2-CG1 4.06Å; W65-V92 HydrophobicContact CZ2-CG1 3.98Å; W65-R94 HydrophobicContact CD2-CB 4.47Å; W65-R94 HydrophobicContact CD2-CG 4.22Å; W65-R94 HydrophobicContact CE3-CB 3.89Å; W65-R94 HydrophobicContact CE3-CG 4.04Å; W65-R94 HydrophobicContact CH2-CB 3.83Å; W65-R94 HydrophobicContact CH2-CG 3.38Å; W65-R94 HydrophobicContact CZ2-CB 4.39Å; W65-R94 HydrophobicContact CZ2-CG 3.55Å; W65-R94 HydrophobicContact CZ3-CB 3.54Å; W65-R94 HydrophobicContact CZ3-CG 3.63Å; W65-W101 HydrophobicContact CB-CZ2 4.27Å; W65-W101 HydrophobicContact CE3-CZ3 4.21Å
66P90.2Very high89.5Confident58 Ų5850.9 Ų50.938%0.37731%0.311SS..PPolyproline II helixtrans-71.8166.2178.932.2-37000110.8V74 W101P66-V74 HydrophobicContact CG-CG1 3.84Å; P66-W101 WeakPolarHBondContact O-CZ2 3.47Å
67T88.9Confident89.6Confident73 Ų7350.9 Ų50.945%0.44831%0.311SS..PPolyproline II helixtrans-61.2140.9171.345.50000111.6M48 C55 A57M48-T67 HydrophobicContact CG-CG2 4.5Å; M48-T67 HydrophobicContact SD-CG2 3.59Å; M48-T67 VanDerWaalsContact SD-CG2 3.59Å; C55-T67 WeakPolarHBondContact O-CA 3.41Å; A57-T67 HydrophobicContact CB-CG2 4.16Å
68A88.7Confident89.6Confident8 Ų850.7 Ų50.77%0.06631%0.309CS..EExtended strand (participates in β ladder)trans-141.3148.6-179.700000112.1G54 C55 E72 V74 C96 W101G54-A68 CarbonylContact C-O 3.03Å; G54-A68 VanDerWaalsContact CA-O 3.24Å; G54-A68 WeakPolarHBondContact CA-O 2.98Å; C55-A68 PolarHBondContact N-O 3.42Å; C55-A68 PolarHBondContact O-N 2.92Å; A68-E72 HydrophobicContact CB-CB 4.3Å; A68-E72 HydrophobicContact CB-CG 4.5Å; A68-V74 HydrophobicContact CB-CG2 3.83Å; A68-C96 HydrophobicContact CB-CB 3.99Å; A68-W101 HydrophobicContact CB-CH2 3.41Å; A68-W101 VanDerWaalsContact CB-CH2 3.41Å; A68-W101 HydrophobicContact CB-CZ2 3.89Å; A68-W101 HydrophobicContact CB-CZ3 4.26Å
69G86.5Confident89.3Confident33 Ų3348.9 Ų48.934%0.3430%0.298SS..EExtended strand (participates in β ladder)trans-73.5155.1174.600000112.2G71 E72 C96G69-G71 PolarHBondContact O-N 3.46Å; G69-E72 PolarHBondContact N-OE2 2.99Å; G69-E72 WeakPolarHBondContact O-CB 3.31Å; G69-E72 PolarHBondContact O-N 2.91Å; G69-C96 VanDerWaalsContact O-CB 3.31Å; G69-C96 WeakPolarHBondContact O-CB 3.03Å; G69-C96 PolarHBondContact O-SG 3.38Å
70S86.4Confident88.9Confident71 Ų7154 Ų5450%0.49733%0.328SS..THydrogen-bonded Turntrans-60.3125.9175.4-168.50000111.4C96S70-C96 WeakPolarHBondContact CA-O 3.46Å
71G86.5Confident88.3Confident53 Ų5353.5 Ų53.555%0.54632%0.324SS..THydrogen-bonded Turntrans89.23.5-175.600000115G69 C96G69-G71 PolarHBondContact O-N 3.46Å; G71-C96 PolarHBondContact N-O 3.09Å
72E89.6Confident87.9Confident103 Ų10353.1 Ų53.148%0.48131%0.311SS..  trans-88.2135.2178.4-171.1173.7-169.600111.8A68 G69 C96A68-E72 HydrophobicContact CB-CB 4.3Å; A68-E72 HydrophobicContact CB-CG 4.5Å; G69-E72 PolarHBondContact N-OE2 2.99Å; G69-E72 WeakPolarHBondContact O-CB 3.31Å; G69-E72 PolarHBondContact O-N 2.91Å; E72-C96 PolarHBondContact O-N 3.13Å
73W91.3Very high87.2Confident153 Ų15355 Ų5558%0.5833%0.328SS*.EExtended strand (participates in β ladder)trans-97.4123.2174.5-67.980.5000110.1D95W73-D95 HydrophobicContact CD2-CB 3.88Å; W73-D95 HydrophobicContact CE3-CB 3.77Å; W73-D95 HydrophobicContact CH2-CB 3.68Å; W73-D95 HydrophobicContact CZ2-CB 3.76Å; W73-D95 WeakPolarHBondContact CZ2-OD2 3.48Å; W73-D95 HydrophobicContact CZ3-CB 3.68Å
74V92.7Very high86.1Confident18 Ų1861.4 Ų61.411%0.10936%0.358CS..EExtended strand (participates in β ladder)trans-105.1133.1174.2-179.20000109.2W65 P66 A68 L76 K93 R94 W101W65-V74 HydrophobicContact CE3-CB 4.24Å; W65-V74 HydrophobicContact CE3-CG1 4.11Å; W65-V74 HydrophobicContact CZ3-CB 4.16Å; W65-V74 HydrophobicContact CZ3-CG1 4.12Å; P66-V74 HydrophobicContact CG-CG1 3.84Å; A68-V74 HydrophobicContact CB-CG2 3.83Å; V74-L76 HydrophobicContact CG1-CD2 4.39Å; V74-L76 HydrophobicContact CG1-CG 4.18Å; V74-K93 CarbonylContact O-C 3.51Å; V74-K93 VanDerWaalsContact O-CA 3.25Å; V74-K93 WeakPolarHBondContact O-CA 3.34Å; V74-R94 PolarHBondContact N-O 3.01Å; V74-R94 PolarHBondContact O-N 3.08Å; V74-W101 HydrophobicContact CB-CH2 4.23Å; V74-W101 HydrophobicContact CB-CZ3 4.23Å; V74-W101 HydrophobicContact CG2-CH2 3.76Å; V74-W101 HydrophobicContact CG2-CZ3 4.09Å
75T93.1Very high85.2Confident71 Ų7163.5 Ų63.544%0.43636%0.361SS..EExtended strand (participates in β ladder)trans-118.6124175.4-56.60000108.6A91 V92 K93T75-A91 HydrophobicContact CG2-CB 4.01Å; T75-V92 WeakPolarHBondContact CA-O 3.23Å; T75-K93 HydrophobicContact CG2-CD 4.4Å; T75-K93 HydrophobicContact CG2-CG 3.89Å; T75-K93 WeakPolarHBondContact OG1-CD 3.4Å; T75-K93 WeakPolarHBondContact OG1-CE 3.46Å; T75-K93 WeakPolarHBondContact OG1-CG 3.28Å
76L92.1Very high84.1Confident38 Ų3864.9 Ų64.920%0.19937%0.371CS..EExtended strand (participates in β ladder)trans-120.2143.4176.1-65.8176.9000110L63 C64 W65 V74 A91 V92L63-L76 HydrophobicContact CB-CD1 4.29Å; L63-L76 HydrophobicContact CD1-CB 3.99Å; C64-L76 VanDerWaalsContact O-CD1 3.3Å; C64-L76 WeakPolarHBondContact O-CD1 3.45Å; W65-L76 HydrophobicContact CD2-CD1 4.04Å; W65-L76 HydrophobicContact CE3-CD1 3.96Å; W65-L76 HydrophobicContact CE3-CG 4.49Å; W65-L76 HydrophobicContact CH2-CD1 4.47Å; W65-L76 HydrophobicContact CZ3-CD1 4.19Å; W65-L76 HydrophobicContact CZ3-CG 4.31Å; V74-L76 HydrophobicContact CG1-CD2 4.39Å; V74-L76 HydrophobicContact CG1-CG 4.18Å; L76-A91 CarbonylContact O-C 3.55Å; L76-A91 VanDerWaalsContact O-CA 3.31Å; L76-A91 WeakPolarHBondContact O-CA 3.11Å; L76-V92 PolarHBondContact N-O 2.85Å; L76-V92 PolarHBondContact O-N 3.36Å
77P90.6Very high83.1Confident88 Ų8868 Ų6857%0.57139%0.394SS*.EExtended strand (participates in β ladder)trans-67.3158.3171.830.7-34.3000110.7L63L63-P77 WeakPolarHBondContact CD1-O 3.36Å; L63-P77 WeakPolarHBondContact CD2-O 3.39Å
78C87.9Confident82.2Confident15 Ų1571.3 Ų71.310%0.10141%0.405CS..PPolyproline II helixtrans-58.1146.9166.8-63.40000110.1F82 G90 C112C78-F82 HydrophobicContact CB-CB 4.33Å; C78-F82 HydrophobicContact CB-CD2 4.05Å; C78-F82 HydrophobicContact CB-CG 4.33Å; C78-G90 PolarHBondContact N-O 3.13Å; C78-G90 WeakPolarHBondContact SG-CA 3.38Å; C78-G90 PolarHBondContact SG-O 2.78Å; C78-C112 HydrophobicContact CB-CB 3.95Å; C78-C112 WeakPolarHBondContact CB-SG 3.21Å; C78-C112 VanDerWaalsContact SG-CA 3.59Å; C78-C112 WeakPolarHBondContact SG-CB 3.49Å; C78-C112 CovalentContact SG-SG 2.02Å; C78-C112 PolarHBondContact SG-SG 2.82Å
79P85.3Confident81.6Confident12 Ų1277 Ų778%0.07844%0.444CS..PPolyproline II helixtrans-50.9145.1174.3-27.332.5000113.1L62 L63 F81 F82L62-P79 HydrophobicContact CD2-CG 4.49Å; L63-P79 HydrophobicContact CD2-CG 3.72Å; L63-P79 HydrophobicContact CG-CG 4.16Å; P79-F81 HydrophobicContact CB-CD1 3.44Å; P79-F81 VanDerWaalsContact CB-CD1 3.44Å; P79-F81 HydrophobicContact CB-CE1 3.25Å; P79-F81 HydrophobicContact CB-CG 4.44Å; P79-F81 HydrophobicContact CB-CZ 4.13Å; P79-F81 HydrophobicContact CG-CD1 4.43Å; P79-F81 HydrophobicContact CG-CE1 3.76Å; P79-F81 HydrophobicContact CG-CZ 4.34Å; P79-F81 PolarHBondContact O-N 3.3Å; P79-F81 VanDerWaalsContact O-N 3.08Å; P79-F82 HydrophobicContact CB-CD2 3.96Å; P79-F82 HydrophobicContact CB-CE2 4.25Å; P79-F82 HydrophobicContact CG-CD2 4.03Å; P79-F82 HydrophobicContact CG-CE2 3.9Å; P79-F82 WeakPolarHBondContact O-CB 3.01Å; P79-F82 WeakPolarHBondContact O-CD2 2.9Å; P79-F82 PolarHBondContact O-N 3.47Å
80D80.3Confident81.4Confident148 Ų14876.2 Ų76.279%0.79144%0.436SS*.G310 helixtrans-58.9-28.7-173.1-72.3-31.5000113.5F82 S83D80-F82 PolarHBondContact O-N 3.07Å; D80-F82 VanDerWaalsContact O-N 3.16Å; D80-S83 VanDerWaalsContact O-CB 3.25Å; D80-S83 WeakPolarHBondContact O-CB 3.36Å; D80-S83 PolarHBondContact O-N 3.39Å; D80-S83 PolarHBondContact O-OG 2.98Å
81F76.2Confident81.5Confident36 Ų3674.9 Ų74.916%0.15843%0.429CS..G310 helixtrans-62.2-22.7177.674.5-100.9000113.1F30 L34 L62 P79 S83 H84 F85F30-F81 HydrophobicContact CB-CB 4.17Å; L34-F81 HydrophobicContact CD1-CE1 4.03Å; L62-F81 HydrophobicContact CD2-CE1 4.4Å; L62-F81 HydrophobicContact CD2-CZ 3.93Å; P79-F81 HydrophobicContact CB-CD1 3.44Å; P79-F81 VanDerWaalsContact CB-CD1 3.44Å; P79-F81 HydrophobicContact CB-CE1 3.25Å; P79-F81 HydrophobicContact CB-CG 4.44Å; P79-F81 HydrophobicContact CB-CZ 4.13Å; P79-F81 HydrophobicContact CG-CD1 4.43Å; P79-F81 HydrophobicContact CG-CE1 3.76Å; P79-F81 HydrophobicContact CG-CZ 4.34Å; P79-F81 PolarHBondContact O-N 3.3Å; P79-F81 VanDerWaalsContact O-N 3.08Å; F81-S83 PolarHBondContact O-N 3.22Å; F81-H84 WeakPolarHBondContact O-CB 3.48Å; F81-H84 PolarHBondContact O-CD2 2.78Å; F81-H84 VanDerWaalsContact O-CD2 3.31Å; F81-H84 PolarHBondContact O-N 3.27Å; F81-H84 VanDerWaalsContact O-N 3.14Å; F81-F85 HydrophobicContact CD2-CE2 4.17Å
82F77.4Confident81.7Confident29 Ų2972.3 Ų72.313%0.12740%0.403CS..G310 helixtrans-64-22.6174.9-80.3-81.4000112.8L62 C78 P79 D80 H84 F85 S86 C112 V114L62-F82 HydrophobicContact CD2-CE2 4.2Å; L62-F82 HydrophobicContact CD2-CZ 4.4Å; C78-F82 HydrophobicContact CB-CB 4.33Å; C78-F82 HydrophobicContact CB-CD2 4.05Å; C78-F82 HydrophobicContact CB-CG 4.33Å; P79-F82 HydrophobicContact CB-CD2 3.96Å; P79-F82 HydrophobicContact CB-CE2 4.25Å; P79-F82 HydrophobicContact CG-CD2 4.03Å; P79-F82 HydrophobicContact CG-CE2 3.9Å; P79-F82 WeakPolarHBondContact O-CB 3.01Å; P79-F82 WeakPolarHBondContact O-CD2 2.9Å; P79-F82 PolarHBondContact O-N 3.47Å; D80-F82 PolarHBondContact O-N 3.07Å; D80-F82 VanDerWaalsContact O-N 3.16Å; F82-H84 PolarHBondContact O-N 2.87Å; F82-H84 VanDerWaalsContact O-N 3.15Å; F82-F85 PolarHBondContact O-N 2.99Å; F82-S86 PolarHBondContact O-N 3.47Å; F82-C112 HydrophobicContact CD1-CB 3.7Å; F82-C112 HydrophobicContact CD2-CB 4.22Å; F82-C112 HydrophobicContact CE1-CB 3.59Å; F82-C112 HydrophobicContact CE2-CB 4.12Å; F82-C112 HydrophobicContact CG-CB 4.02Å; F82-C112 HydrophobicContact CZ-CB 3.81Å; F82-V114 HydrophobicContact CD1-CG2 4.07Å; F82-V114 HydrophobicContact CE1-CG2 3.71Å
83S73Confident81.8Confident83 Ų8372.1 Ų72.158%0.5840%0.4SS*.G310 helixtrans-61.7-19.4175.168.90000113.4D80 F81 S86D80-S83 VanDerWaalsContact O-CB 3.25Å; D80-S83 WeakPolarHBondContact O-CB 3.36Å; D80-S83 PolarHBondContact O-N 3.39Å; D80-S83 PolarHBondContact O-OG 2.98Å; F81-S83 PolarHBondContact O-N 3.22Å; S83-S86 WeakPolarHBondContact CA-O 3.4Å
84H68.7Low81.9Confident154 Ų15465.9 Ų65.971%0.71338%0.377SS*.G310 helixtrans-73.3-26.3172.5-65.5-62.5000113.2F81 F82F81-H84 WeakPolarHBondContact O-CB 3.48Å; F81-H84 PolarHBondContact O-CD2 2.78Å; F81-H84 VanDerWaalsContact O-CD2 3.31Å; F81-H84 PolarHBondContact O-N 3.27Å; F81-H84 VanDerWaalsContact O-N 3.14Å; F82-H84 PolarHBondContact O-N 2.87Å; F82-H84 VanDerWaalsContact O-N 3.15Å
85F71.9Confident81.9Confident89 Ų8966.5 Ų66.539%0.3938%0.379SS..THydrogen-bonded Turntrans-101.1-31.5-175.9-59.9-71.7000113.1F81 F82 V114F81-F85 HydrophobicContact CD2-CE2 4.17Å; F82-F85 PolarHBondContact O-N 2.99Å; F85-V114 HydrophobicContact CB-CG1 4.42Å; F85-V114 HydrophobicContact CD1-CG1 4.21Å; F85-V114 HydrophobicContact CG-CG1 4.29Å
86S69.4Low81.8Confident30 Ų3063.1 Ų63.121%0.2136%0.359CS..  trans-143.2140.4-179.1-1760000110.6F82 S83 E88F82-S86 PolarHBondContact O-N 3.47Å; S83-S86 WeakPolarHBondContact CA-O 3.4Å; S86-E88 PolarHBondContact O-N 3.36Å; S86-E88 PolarHBondContact OG-N 3.11Å; S86-E88 VanDerWaalsContact OG-N 3.15Å
87S69.2Low81.6Confident122 Ų12263.4 Ų63.485%0.85336%0.362SS*.SBendtrans-77.7-7.1170.856.10000112.8
88E70.5Confident81.3Confident144 Ų14466.9 Ų66.967%0.67337%0.374SS*.SBendtrans-82.3124.9179.5-62.6-165.7158.200111.3S86 G90S86-E88 PolarHBondContact O-N 3.36Å; S86-E88 PolarHBondContact OG-N 3.11Å; S86-E88 VanDerWaalsContact OG-N 3.15Å; E88-G90 PolarHBondContact O-N 3.49Å; E88-G90 VanDerWaalsContact O-N 3.17Å
89S74.3Confident81.2Confident128 Ų12872.5 Ų72.590%0.89541%0.408SS*.  trans-79.197.7173.915.20000109.3
90G82.6Confident81.3Confident16 Ų1673.1 Ų73.117%0.16542%0.416CS..  trans-79.7157.8173.300000113.2C78 E88 A111C78-G90 PolarHBondContact N-O 3.13Å; C78-G90 WeakPolarHBondContact SG-CA 3.38Å; C78-G90 PolarHBondContact SG-O 2.78Å; E88-G90 PolarHBondContact O-N 3.49Å; E88-G90 VanDerWaalsContact O-N 3.17Å; G90-A111 WeakPolarHBondContact CA-O 3.45Å
91A89Confident81.7Confident42 Ų4267.8 Ų67.835%0.34739%0.385SS..EExtended strand (participates in β ladder)trans-143.9144.317300000111.4T75 L76T75-A91 HydrophobicContact CG2-CB 4.01Å; L76-A91 CarbonylContact O-C 3.55Å; L76-A91 VanDerWaalsContact O-CA 3.31Å; L76-A91 WeakPolarHBondContact O-CA 3.11Å
92V91.2Very high82.4Confident0 Ų067.5 Ų67.50%039%0.388CS..EExtended strand (participates in β ladder)trans-117140-176.7-177.60000109L63 W65 T75 L76 P104 Y108 A111L63-V92 HydrophobicContact CD1-CB 4.48Å; W65-V92 HydrophobicContact CH2-CB 4.45Å; W65-V92 HydrophobicContact CH2-CG1 4.06Å; W65-V92 HydrophobicContact CZ2-CG1 3.98Å; T75-V92 WeakPolarHBondContact CA-O 3.23Å; L76-V92 PolarHBondContact N-O 2.85Å; L76-V92 PolarHBondContact O-N 3.36Å; V92-P104 HydrophobicContact CG1-CB 3.43Å; V92-P104 VanDerWaalsContact CG1-CB 3.43Å; V92-Y108 HydrophobicContact CB-CE1 4.46Å; V92-Y108 HydrophobicContact CG1-CE1 4.43Å; V92-Y108 HydrophobicContact CG2-CD1 3.84Å; V92-Y108 HydrophobicContact CG2-CE1 3.75Å; V92-A111 HydrophobicContact CG2-CB 3.46Å; V92-A111 VanDerWaalsContact CG2-CB 3.46Å
93K92Very high83Confident98 Ų9873.4 Ų73.443%0.42642%0.416SS..EExtended strand (participates in β ladder)trans-120.1144.3-179.7-52-171.6175.3177.50111.9V74 T75 F105V74-K93 CarbonylContact O-C 3.51Å; V74-K93 VanDerWaalsContact O-CA 3.25Å; V74-K93 WeakPolarHBondContact O-CA 3.34Å; T75-K93 HydrophobicContact CG2-CD 4.4Å; T75-K93 HydrophobicContact CG2-CG 3.89Å; T75-K93 WeakPolarHBondContact OG1-CD 3.4Å; T75-K93 WeakPolarHBondContact OG1-CE 3.46Å; T75-K93 WeakPolarHBondContact OG1-CG 3.28Å; K93-F105 WeakPolarHBondContact CA-O 3.47Å; K93-F105 VanDerWaalsContact CB-O 3.32Å; K93-F105 WeakPolarHBondContact CB-O 3.07Å; K93-F105 PolarHBondContact N-O 2.89Å; K93-F105 PolarHBondContact O-N 3.13Å
94R93Very high83.7Confident23 Ų2370.4 Ų70.49%0.08739%0.394CS..EExtended strand (participates in β ladder)trans-134.7145.3167.9-67.1175.585.5153.76.5110.4D60 W65 V74 W101 S102 P104D60-R94 IonicContact OD2-NH1 3.8Å; W65-R94 HydrophobicContact CD2-CB 4.47Å; W65-R94 HydrophobicContact CD2-CG 4.22Å; W65-R94 HydrophobicContact CE3-CB 3.89Å; W65-R94 HydrophobicContact CE3-CG 4.04Å; W65-R94 HydrophobicContact CH2-CB 3.83Å; W65-R94 HydrophobicContact CH2-CG 3.38Å; W65-R94 HydrophobicContact CZ2-CB 4.39Å; W65-R94 HydrophobicContact CZ2-CG 3.55Å; W65-R94 HydrophobicContact CZ3-CB 3.54Å; W65-R94 HydrophobicContact CZ3-CG 3.63Å; V74-R94 PolarHBondContact N-O 3.01Å; V74-R94 PolarHBondContact O-N 3.08Å; R94-W101 HydrophobicContact CB-CE3 3.67Å; R94-W101 HydrophobicContact CB-CZ3 4.01Å; R94-S102 PolarHBondContact NE-O 3.26Å; R94-S102 PolarHBondContact NH2-O 3.03Å; R94-P104 HydrophobicContact CG-CB 4.3Å; R94-P104 HydrophobicContact CG-CG 4.45Å
95D91.7Very high84.6Confident31 Ų3169.8 Ų69.817%0.16639%0.39CS..EExtended strand (participates in β ladder)trans-98137.1172.3-173.44.6000109.4W73 T97 S102W73-D95 HydrophobicContact CD2-CB 3.88Å; W73-D95 HydrophobicContact CE3-CB 3.77Å; W73-D95 HydrophobicContact CH2-CB 3.68Å; W73-D95 HydrophobicContact CZ2-CB 3.76Å; W73-D95 WeakPolarHBondContact CZ2-OD2 3.48Å; W73-D95 HydrophobicContact CZ3-CB 3.68Å; D95-T97 PolarHBondContact O-N 2.79Å; D95-S102 PolarHBondContact N-OG 3.3Å; D95-S102 PolarHBondContact O-N 2.96Å
96C91.3Very high85.5Confident0 Ų067.6 Ų67.60%038%0.384CS..EExtended strand (participates in β ladder)trans-85.396.5169.5176.90000110.9C55 A68 G69 S70 G71 E72 W101C55-C96 HydrophobicContact CB-CB 3.85Å; C55-C96 WeakPolarHBondContact CB-SG 3.18Å; C55-C96 PolarHBondContact N-SG 3.29Å; C55-C96 WeakPolarHBondContact SG-CA 3.28Å; C55-C96 WeakPolarHBondContact SG-CB 3.32Å; C55-C96 CovalentContact SG-SG 2.04Å; C55-C96 PolarHBondContact SG-SG 2.78Å; A68-C96 HydrophobicContact CB-CB 3.99Å; G69-C96 VanDerWaalsContact O-CB 3.31Å; G69-C96 WeakPolarHBondContact O-CB 3.03Å; G69-C96 PolarHBondContact O-SG 3.38Å; S70-C96 WeakPolarHBondContact CA-O 3.46Å; G71-C96 PolarHBondContact N-O 3.09Å; E72-C96 PolarHBondContact O-N 3.13Å; C96-W101 HydrophobicContact CB-CZ3 4.32Å
97T88.4Confident86.4Confident43 Ų4369.4 Ų69.426%0.26440%0.395SS..EExtended strand (participates in β ladder)trans-84.6167.8178.973.40000112.2D95 T99 G100D95-T97 PolarHBondContact O-N 2.79Å; T97-T99 PolarHBondContact O-N 3.04Å; T97-T99 VanDerWaalsContact O-N 3.08Å; T97-T99 PolarHBondContact OG1-N 3.39Å; T97-T99 PolarHBondContact OG1-OG1 3.33Å; T97-G100 WeakPolarHBondContact CA-O 3.38Å; T97-G100 WeakPolarHBondContact CB-O 3.33Å; T97-G100 PolarHBondContact N-O 3.03Å; T97-G100 PolarHBondContact O-N 3.05Å; T97-G100 PolarHBondContact OG1-N 3.31Å; T97-G100 PolarHBondContact OG1-O 3.42Å
98I85Confident87.2Confident162 Ų16265.2 Ų65.283%0.83136%0.361SS*.THydrogen-bonded Turntrans-58.8-19.7172.260.9170.3000113.4
99T85.4Confident87.7Confident133 Ų13363.3 Ų63.382%0.81636%0.361SS*.THydrogen-bonded Turntrans-95.6-3.3177.344.20000113.5T97T97-T99 PolarHBondContact O-N 3.04Å; T97-T99 VanDerWaalsContact O-N 3.08Å; T97-T99 PolarHBondContact OG1-N 3.39Å; T97-T99 PolarHBondContact OG1-OG1 3.33Å
100G86.6Confident88.2Confident24 Ų2462.2 Ų62.225%0.24735%0.349CS..EExtended strand (participates in β ladder)trans115.5-163.2-17400000113C55 T97C55-G100 VanDerWaalsContact SG-C 3.5Å; T97-G100 WeakPolarHBondContact CA-O 3.38Å; T97-G100 WeakPolarHBondContact CB-O 3.33Å; T97-G100 PolarHBondContact N-O 3.03Å; T97-G100 PolarHBondContact O-N 3.05Å; T97-G100 PolarHBondContact OG1-N 3.31Å; T97-G100 PolarHBondContact OG1-O 3.42Å
101W89.3Confident88.2Confident36 Ų3661.9 Ų61.914%0.13635%0.345CS..EExtended strand (participates in β ladder)trans-64.7131.5179.8-72.5109.8000112.7C55 P56 T58 W65 P66 A68 V74 R94 C96C55-W101 HydrophobicContact CB-CD2 3.88Å; C55-W101 HydrophobicContact CB-CG 4.13Å; C55-W101 HydrophobicContact CB-CZ2 3.72Å; P56-W101 PolarHBondContact O-NE1 3.04Å; T58-W101 VanDerWaalsContact CG2-CD1 3.5Å; T58-W101 HydrophobicContact CG2-CG 4.3Å; W65-W101 HydrophobicContact CB-CZ2 4.27Å; W65-W101 HydrophobicContact CE3-CZ3 4.21Å; P66-W101 WeakPolarHBondContact O-CZ2 3.47Å; A68-W101 HydrophobicContact CB-CH2 3.41Å; A68-W101 VanDerWaalsContact CB-CH2 3.41Å; A68-W101 HydrophobicContact CB-CZ2 3.89Å; A68-W101 HydrophobicContact CB-CZ3 4.26Å; V74-W101 HydrophobicContact CB-CH2 4.23Å; V74-W101 HydrophobicContact CB-CZ3 4.23Å; V74-W101 HydrophobicContact CG2-CH2 3.76Å; V74-W101 HydrophobicContact CG2-CZ3 4.09Å; R94-W101 HydrophobicContact CB-CE3 3.67Å; R94-W101 HydrophobicContact CB-CZ3 4.01Å; C96-W101 HydrophobicContact CB-CZ3 4.32Å
102S90.9Very high88Confident31 Ų3160.2 Ų60.222%0.21733%0.33CS..PPolyproline II helixtrans-64.6167.3169.276.60000111.5R94 D95R94-S102 PolarHBondContact NE-O 3.26Å; R94-S102 PolarHBondContact NH2-O 3.03Å; D95-S102 PolarHBondContact N-OG 3.3Å; D95-S102 PolarHBondContact O-N 2.96Å
103E88.8Confident87.4Confident153 Ų15362.6 Ų62.672%0.71535%0.346SS*.PPolyproline II helixtrans-63.1149.6166.4-69.9-59.1131.800111.1F105E103-F105 PolarHBondContact O-N 3.19Å
104P88.4Confident86.6Confident19 Ų1960.1 Ų60.112%0.12334%0.339CS..PPolyproline II helixtrans-61.9130.5176.6-16.427.9000112.3V92 R94 P106 Y108V92-P104 HydrophobicContact CG1-CB 3.43Å; V92-P104 VanDerWaalsContact CG1-CB 3.43Å; R94-P104 HydrophobicContact CG-CB 4.3Å; R94-P104 HydrophobicContact CG-CG 4.45Å; P104-P106 CarbonylContact O-C 3.55Å; P104-Y108 HydrophobicContact CB-CD2 4.4Å; P104-Y108 HydrophobicContact CB-CE2 4.12Å; P104-Y108 HydrophobicContact CG-CD2 4.33Å; P104-Y108 HydrophobicContact CG-CE2 3.87Å
105F88.7Confident85.6Confident142 Ų14261.5 Ų61.562%0.62335%0.351SS*.BIsolated β-bridgetrans-131.1126.4-179.5-172.7-95.5000112K93 E103K93-F105 WeakPolarHBondContact CA-O 3.47Å; K93-F105 VanDerWaalsContact CB-O 3.32Å; K93-F105 WeakPolarHBondContact CB-O 3.07Å; K93-F105 PolarHBondContact N-O 2.89Å; K93-F105 PolarHBondContact O-N 3.13Å; E103-F105 PolarHBondContact O-N 3.19Å
106P90.1Very high84.7Confident42 Ų4266.3 Ų66.327%0.27338%0.376SS..SBendcis-63.3157.3-9.924.8-27.8000111.5P104 V110 A111P104-P106 CarbonylContact O-C 3.55Å; P106-V110 HydrophobicContact CB-CB 4.21Å; P106-V110 HydrophobicContact CB-CG1 4.08Å; P106-A111 HydrophobicContact CG-CB 3.93Å
107P87.9Confident83.7Confident69 Ų6974.5 Ų74.545%0.44841%0.414SS..  trans-54.1146.4175.6-25.434.4000111.5P109 V110 A111P107-P109 VanDerWaalsContact C-N 3.34Å; P107-P109 VanDerWaalsContact O-N 3.12Å; P107-V110 WeakPolarHBondContact O-CB 3.44Å; P107-V110 PolarHBondContact O-N 2.93Å; P107-A111 PolarHBondContact O-N 2.99Å
108Y86Confident82.9Confident33 Ų3377.7 Ų77.713%0.12943%0.429CS..Hα-helixtrans-45.8-44-176.6-79.7-74.7000115.5D60 L62 L63 V92 P104 V110 A111 C112D60-Y108 VanDerWaalsContact CG-OH 3.27Å; D60-Y108 PolarHBondContact OD1-OH 3.4Å; D60-Y108 WeakPolarHBondContact OD2-CE2 3.47Å; D60-Y108 PolarHBondContact OD2-OH 3.49Å; L62-Y108 HydrophobicContact CB-CE1 3.96Å; L62-Y108 HydrophobicContact CB-CE2 4.5Å; L62-Y108 HydrophobicContact CD1-CD1 3.69Å; L62-Y108 HydrophobicContact CD1-CD2 3.81Å; L62-Y108 HydrophobicContact CD1-CE1 3.82Å; L62-Y108 HydrophobicContact CD1-CE2 3.93Å; L62-Y108 HydrophobicContact CD1-CG 3.69Å; L63-Y108 HydrophobicContact CD1-CE1 3.93Å; L63-Y108 WeakPolarHBondContact CD1-OH 3.25Å; L63-Y108 HydrophobicContact CG-CE1 4.34Å; V92-Y108 HydrophobicContact CB-CE1 4.46Å; V92-Y108 HydrophobicContact CG1-CE1 4.43Å; V92-Y108 HydrophobicContact CG2-CD1 3.84Å; V92-Y108 HydrophobicContact CG2-CE1 3.75Å; P104-Y108 HydrophobicContact CB-CD2 4.4Å; P104-Y108 HydrophobicContact CB-CE2 4.12Å; P104-Y108 HydrophobicContact CG-CD2 4.33Å; P104-Y108 HydrophobicContact CG-CE2 3.87Å; Y108-V110 PolarHBondContact O-N 2.78Å; Y108-V110 VanDerWaalsContact O-N 3.12Å; Y108-A111 PolarHBondContact O-N 3.3Å; Y108-C112 PolarHBondContact O-N 1.97Å
109P81.7Confident82.2Confident105 Ų10573 Ų7368%0.68241%0.405SS*.Hα-helixtrans-61.6-22.8179.1-24.335.1000114.7P107P107-P109 VanDerWaalsContact C-N 3.34Å; P107-P109 VanDerWaalsContact O-N 3.12Å
110V83.4Confident81.7Confident105 Ų10569.2 Ų69.264%0.63639%0.387SS*.Hα-helixtrans-94.6-38.8177.9179.50000110.7P106 P107 Y108P106-V110 HydrophobicContact CB-CB 4.21Å; P106-V110 HydrophobicContact CB-CG1 4.08Å; P107-V110 WeakPolarHBondContact O-CB 3.44Å; P107-V110 PolarHBondContact O-N 2.93Å; Y108-V110 PolarHBondContact O-N 2.78Å; Y108-V110 VanDerWaalsContact O-N 3.12Å
111A83.8Confident81.1Confident9 Ų974.9 Ų74.97%0.07441%0.407CS..Hα-helixtrans-70.2-40.5179.300000112.4G90 V92 P106 P107 Y108 P113G90-A111 WeakPolarHBondContact CA-O 3.45Å; V92-A111 HydrophobicContact CG2-CB 3.46Å; V92-A111 VanDerWaalsContact CG2-CB 3.46Å; P106-A111 HydrophobicContact CG-CB 3.93Å; P107-A111 PolarHBondContact O-N 2.99Å; Y108-A111 PolarHBondContact O-N 3.3Å; A111-P113 WeakPolarHBondContact O-CD 3.01Å
112C84.5Confident80.3Confident6 Ų678.4 Ų78.44%0.04143%0.425CS..SBendtrans-125.172.5-175.4-42.70000108.7C78 F82 Y108 V114C78-C112 HydrophobicContact CB-CB 3.95Å; C78-C112 WeakPolarHBondContact CB-SG 3.21Å; C78-C112 VanDerWaalsContact SG-CA 3.59Å; C78-C112 WeakPolarHBondContact SG-CB 3.49Å; C78-C112 CovalentContact SG-SG 2.02Å; C78-C112 PolarHBondContact SG-SG 2.82Å; F82-C112 HydrophobicContact CD1-CB 3.7Å; F82-C112 HydrophobicContact CD2-CB 4.22Å; F82-C112 HydrophobicContact CE1-CB 3.59Å; F82-C112 HydrophobicContact CE2-CB 4.12Å; F82-C112 HydrophobicContact CG-CB 4.02Å; F82-C112 HydrophobicContact CZ-CB 3.81Å; Y108-C112 PolarHBondContact O-N 1.97Å; C112-V114 PolarHBondContact O-N 3.28Å
113P77.8Confident79.7Confident50 Ų5083.9 Ų83.933%0.32545%0.447SS..  trans-67.6123.2-173.927.3-33.9000111A111A111-P113 WeakPolarHBondContact O-CD 3.01Å
114V75.6Confident79.3Confident47 Ų4780 Ų8029%0.28544%0.437SS..  trans-97.6127.8166.8-178.10000107.3F82 F85 C112 L116 L119F82-V114 HydrophobicContact CD1-CG2 4.07Å; F82-V114 HydrophobicContact CE1-CG2 3.71Å; F85-V114 HydrophobicContact CB-CG1 4.42Å; F85-V114 HydrophobicContact CD1-CG1 4.21Å; F85-V114 HydrophobicContact CG-CG1 4.29Å; C112-V114 PolarHBondContact O-N 3.28Å; V114-L116 HydrophobicContact CB-CD1 4.48Å; V114-L116 PolarHBondContact O-N 2.97Å; V114-L119 HydrophobicContact CG1-CD1 3.71Å
115P72.8Confident78.9Confident51 Ų5182.4 Ų82.433%0.33144%0.444SS..  trans-72.771.6-178.930.8-35.2000111.5E117 L118 L119P115-E117 VanDerWaalsContact C-N 3.25Å; P115-E117 PolarHBondContact O-N 3Å; P115-L118 HydrophobicContact CB-CB 4.37Å; P115-L118 HydrophobicContact CB-CD1 4.04Å; P115-L118 HydrophobicContact CB-CG 4.4Å; P115-L118 PolarHBondContact O-N 3.27Å; P115-L119 PolarHBondContact O-N 3.44Å
116L71.7Confident78.5Confident132 Ų13281 Ų8169%0.69144%0.438SS*.Hα-helixtrans-58.2-34.1-175.5-112.9114.1000113.1V114 L119 A120V114-L116 HydrophobicContact CB-CD1 4.48Å; V114-L116 PolarHBondContact O-N 2.97Å; L116-L119 PolarHBondContact O-N 3.37Å; L116-A120 VanDerWaalsContact O-CB 3.32Å; L116-A120 WeakPolarHBondContact O-CB 3.37Å; L116-A120 PolarHBondContact O-N 3.45Å
117E72Confident78.2Confident173 Ų17382.1 Ų82.181%0.80845%0.447SS*.Hα-helixtrans-66.2-41179.1-65.8-172.2158.100112.1P115 A120 E121P115-E117 VanDerWaalsContact C-N 3.25Å; P115-E117 PolarHBondContact O-N 3Å; E117-A120 PolarHBondContact O-N 3.22Å; E117-E121 PolarHBondContact O-N 3.46Å
118L70.1Confident78.1Confident110 Ų11082.2 Ų82.258%0.57645%0.446SS*.Hα-helixtrans-67.7-43.4177.1-66.6177.3000110.7P115 A120 E121 E122P115-L118 HydrophobicContact CB-CB 4.37Å; P115-L118 HydrophobicContact CB-CD1 4.04Å; P115-L118 HydrophobicContact CB-CG 4.4Å; P115-L118 PolarHBondContact O-N 3.27Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 3.25Å; L118-E121 PolarHBondContact O-N 2.94Å; L118-E122 WeakPolarHBondContact O-CG 3.01Å; L118-E122 PolarHBondContact O-N 3.33Å
119L70.9Confident78.1Confident64 Ų6481.1 Ų81.134%0.33544%0.443SS..Hα-helixtrans-61-42.9176.3-67.2174.5000111.5V114 P115 L116 E121 E122 E123V114-L119 HydrophobicContact CG1-CD1 3.71Å; P115-L119 PolarHBondContact O-N 3.44Å; L116-L119 PolarHBondContact O-N 3.37Å; L119-E121 PolarHBondContact O-N 3.49Å; L119-E122 PolarHBondContact O-N 3.46Å; L119-E123 WeakPolarHBondContact O-CG 3.35Å; L119-E123 PolarHBondContact O-N 2.88Å
120A74.8Confident78.4Confident52 Ų5278.9 Ų78.943%0.4342%0.422SS..Hα-helixtrans-66-37.2177.800000112.8L116 E117 L118 S124L116-A120 VanDerWaalsContact O-CB 3.32Å; L116-A120 WeakPolarHBondContact O-CB 3.37Å; L116-A120 PolarHBondContact O-N 3.45Å; E117-A120 PolarHBondContact O-N 3.22Å; L118-A120 VanDerWaalsContact C-N 3.34Å; L118-A120 PolarHBondContact O-N 3.25Å; A120-S124 VanDerWaalsContact O-CB 3.29Å; A120-S124 WeakPolarHBondContact O-CB 3.26Å; A120-S124 PolarHBondContact O-N 3.21Å
121E74.9Confident78.6Confident144 Ų14478.9 Ų78.967%0.67342%0.418SS*.Hα-helixtrans-65.5-43.5173.9-171.7176.1166.400111.2E117 L118 L119 S124 Y125E117-E121 PolarHBondContact O-N 3.46Å; L118-E121 PolarHBondContact O-N 2.94Å; L119-E121 PolarHBondContact O-N 3.49Å; E121-S124 PolarHBondContact O-N 3.18Å; E121-Y125 VanDerWaalsContact O-CB 3.3Å; E121-Y125 WeakPolarHBondContact O-CB 3.39Å; E121-Y125 PolarHBondContact O-N 2.86Å
122E72.7Confident78.9Confident110 Ų11081.7 Ų81.751%0.51443%0.431SS..Hα-helixtrans-62.4-47.9176-73.2-172.3143.100111.8L118 L119 S124 Y125 F126L118-E122 WeakPolarHBondContact O-CG 3.01Å; L118-E122 PolarHBondContact O-N 3.33Å; L119-E122 PolarHBondContact O-N 3.46Å; E122-S124 PolarHBondContact O-N 2.94Å; E122-Y125 WeakPolarHBondContact O-CB 3.34Å; E122-Y125 PolarHBondContact O-N 3.46Å; E122-F126 HydrophobicContact CB-CD2 4.41Å; E122-F126 HydrophobicContact CB-CE2 4.31Å; E122-F126 WeakPolarHBondContact O-CD2 3.12Å; E122-F126 PolarHBondContact O-N 3.5Å
123E76.5Confident79.2Confident145 Ų14582.4 Ų82.468%0.67843%0.433SS*.Hα-helixtrans-59-46.2176.4-76.2-168144.700112.3L119 Y125 F126 S127L119-E123 WeakPolarHBondContact O-CG 3.35Å; L119-E123 PolarHBondContact O-N 2.88Å; E123-Y125 VanDerWaalsContact C-N 3.31Å; E123-Y125 PolarHBondContact O-N 3.15Å; E123-F126 PolarHBondContact O-N 2.91Å; E123-S127 WeakPolarHBondContact O-CB 3.48Å; E123-S127 PolarHBondContact O-N 3.44Å
124S80.5Confident79.9Confident71 Ų7182.1 Ų82.150%0.49743%0.43SS..Hα-helixtrans-61-41.2176.7172.70000111.7A120 E121 E122 T128A120-S124 VanDerWaalsContact O-CB 3.29Å; A120-S124 WeakPolarHBondContact O-CB 3.26Å; A120-S124 PolarHBondContact O-N 3.21Å; E121-S124 PolarHBondContact O-N 3.18Å; E122-S124 PolarHBondContact O-N 2.94Å; S124-T128 WeakPolarHBondContact O-CB 3.34Å; S124-T128 PolarHBondContact O-N 2.94Å; S124-T128 PolarHBondContact O-OG1 3.2Å
125Y80.2Confident80.7Confident70 Ų7083.2 Ų83.228%0.27544%0.437SS..Hα-helixtrans-64-50.4176.5171.1-95.8000111.8E121 E122 E123 S127 T128 V129 G355 L358 P359E121-Y125 VanDerWaalsContact O-CB 3.3Å; E121-Y125 WeakPolarHBondContact O-CB 3.39Å; E121-Y125 PolarHBondContact O-N 2.86Å; E122-Y125 WeakPolarHBondContact O-CB 3.34Å; E122-Y125 PolarHBondContact O-N 3.46Å; E123-Y125 VanDerWaalsContact C-N 3.31Å; E123-Y125 PolarHBondContact O-N 3.15Å; Y125-S127 VanDerWaalsContact C-N 3.35Å; Y125-S127 PolarHBondContact O-N 2.88Å; Y125-T128 PolarHBondContact O-N 3.39Å; Y125-V129 HydrophobicContact CE1-CG2 4.34Å; Y125-V129 HydrophobicContact CE2-CG2 4.39Å; Y125-V129 WeakPolarHBondContact O-CG2 3.06Å; Y125-V129 PolarHBondContact O-N 3.3Å; Y125-G355 WeakPolarHBondContact CE2-O 3.37Å; Y125-G355 WeakPolarHBondContact OH-CA 3.44Å; Y125-G355 PolarHBondContact OH-O 3.02Å; Y125-L358 HydrophobicContact CE1-CD2 4.09Å; Y125-P359 HydrophobicContact CE2-CG 3.93Å; Y125-P359 WeakPolarHBondContact OH-CD 3.39Å
126F80.2Confident81.7Confident113 Ų11380.8 Ų80.850%0.49642%0.421SS..Hα-helixtrans-64-38.7178.4-75-65.2000112.3E122 E123 V129 K130 L358E122-F126 HydrophobicContact CB-CD2 4.41Å; E122-F126 HydrophobicContact CB-CE2 4.31Å; E122-F126 WeakPolarHBondContact O-CD2 3.12Å; E122-F126 PolarHBondContact O-N 3.5Å; E123-F126 PolarHBondContact O-N 2.91Å; F126-V129 PolarHBondContact O-N 3.4Å; F126-K130 WeakPolarHBondContact O-CB 3.12Å; F126-K130 PolarHBondContact O-N 3.19Å; F126-L358 HydrophobicContact CD1-CD2 4.4Å; F126-L358 HydrophobicContact CE1-CD2 3.9Å
127S85Confident82.8Confident65 Ų6575.3 Ų75.346%0.45539%0.392SS..Hα-helixtrans-61.1-44.3174.1-176.30000111.9E123 Y125 V129 K130 I131E123-S127 WeakPolarHBondContact O-CB 3.48Å; E123-S127 PolarHBondContact O-N 3.44Å; Y125-S127 VanDerWaalsContact C-N 3.35Å; Y125-S127 PolarHBondContact O-N 2.88Å; S127-V129 PolarHBondContact O-N 3.24Å; S127-K130 WeakPolarHBondContact O-CB 3.49Å; S127-K130 PolarHBondContact O-N 2.96Å; S127-I131 WeakPolarHBondContact O-CG1 3.45Å; S127-I131 PolarHBondContact O-N 3.5Å
128T85.9Confident83.9Confident72 Ų7269.4 Ų69.444%0.44237%0.37SS..Hα-helixtrans-62-46.2176.3-59.60000111.5S124 Y125 K130 I131 I132S124-T128 WeakPolarHBondContact O-CB 3.34Å; S124-T128 PolarHBondContact O-N 2.94Å; S124-T128 PolarHBondContact O-OG1 3.2Å; Y125-T128 PolarHBondContact O-N 3.39Å; T128-K130 VanDerWaalsContact C-N 3.3Å; T128-K130 PolarHBondContact O-N 2.96Å; T128-I131 PolarHBondContact O-N 3.15Å; T128-I132 HydrophobicContact CG2-CD1 4.06Å; T128-I132 WeakPolarHBondContact O-CG1 3.29Å; T128-I132 PolarHBondContact O-N 3.48Å; T128-I132 VanDerWaalsContact O-N 3.1Å
129V85.5Confident85.1Confident9 Ų967.6 Ų67.66%0.05536%0.36CS..Hα-helixtrans-60.6-41.7176.5172.90000110.9Y125 F126 S127 I132 Y133 P359 L362Y125-V129 HydrophobicContact CE1-CG2 4.34Å; Y125-V129 HydrophobicContact CE2-CG2 4.39Å; Y125-V129 WeakPolarHBondContact O-CG2 3.06Å; Y125-V129 PolarHBondContact O-N 3.3Å; F126-V129 PolarHBondContact O-N 3.4Å; S127-V129 PolarHBondContact O-N 3.24Å; V129-I132 PolarHBondContact O-N 2.97Å; V129-Y133 HydrophobicContact CG1-CD1 4.15Å; V129-Y133 WeakPolarHBondContact O-CD1 3.32Å; V129-Y133 PolarHBondContact O-N 3.06Å; V129-P359 HydrophobicContact CG2-CB 4.19Å; V129-P359 HydrophobicContact CG2-CG 3.83Å; V129-L362 HydrophobicContact CG1-CD2 4.49Å
130K87.5Confident86.3Confident59 Ų5964.7 Ų64.726%0.25735%0.345SS..Hα-helixtrans-57.7-47.6175.8-179.6170.3-179.2-176.90113.3F126 S127 T128 I132 Y133 T134 F187F126-K130 WeakPolarHBondContact O-CB 3.12Å; F126-K130 PolarHBondContact O-N 3.19Å; S127-K130 WeakPolarHBondContact O-CB 3.49Å; S127-K130 PolarHBondContact O-N 2.96Å; T128-K130 VanDerWaalsContact C-N 3.3Å; T128-K130 PolarHBondContact O-N 2.96Å; K130-I132 VanDerWaalsContact C-N 3.35Å; K130-I132 PolarHBondContact O-N 3.38Å; K130-Y133 HydrophobicContact CB-CE1 3.95Å; K130-Y133 HydrophobicContact CG-CE1 4.23Å; K130-Y133 WeakPolarHBondContact CG-OH 3.5Å; K130-T134 WeakPolarHBondContact O-CB 3.41Å; K130-T134 PolarHBondContact O-N 3.33Å; K130-T134 PolarHBondContact O-OG1 3.39Å; K130-F187 HydrophobicContact CD-CE2 4.29Å
131I88.5Confident87.4Confident104 Ų10464.1 Ų64.153%0.53333%0.334SS..Hα-helixtrans-61-46.3177.2-67.4165.5000110.4S127 T128 T134 V135S127-I131 WeakPolarHBondContact O-CG1 3.45Å; S127-I131 PolarHBondContact O-N 3.5Å; T128-I131 PolarHBondContact O-N 3.15Å; I131-T134 PolarHBondContact O-N 3.32Å; I131-V135 HydrophobicContact CG2-CG2 4.4Å; I131-V135 WeakPolarHBondContact O-CB 3.38Å; I131-V135 VanDerWaalsContact O-CG2 3.28Å; I131-V135 WeakPolarHBondContact O-CG2 3.3Å; I131-V135 PolarHBondContact O-N 2.96Å
132I89.3Confident88.4Confident68 Ų6861.9 Ų61.935%0.34933%0.33SS..Hα-helixtrans-59.9-52.8-177.9-68.1166.5000111.1T128 V129 K130 T134 G136T128-I132 HydrophobicContact CG2-CD1 4.06Å; T128-I132 WeakPolarHBondContact O-CG1 3.29Å; T128-I132 PolarHBondContact O-N 3.48Å; T128-I132 VanDerWaalsContact O-N 3.1Å; V129-I132 PolarHBondContact O-N 2.97Å; K130-I132 VanDerWaalsContact C-N 3.35Å; K130-I132 PolarHBondContact O-N 3.38Å; I132-T134 VanDerWaalsContact C-N 3.33Å; I132-T134 PolarHBondContact O-N 3.3Å; I132-G136 PolarHBondContact O-N 3.4Å
133Y90.6Very high89.6Confident21 Ų2157.1 Ų57.18%0.08231%0.31CS..Hα-helixtrans-70.7-31.7-177.676.6-117.1000111.9V129 K130 G136 H137 V179 D183 L362 S366V129-Y133 HydrophobicContact CG1-CD1 4.15Å; V129-Y133 WeakPolarHBondContact O-CD1 3.32Å; V129-Y133 PolarHBondContact O-N 3.06Å; K130-Y133 HydrophobicContact CB-CE1 3.95Å; K130-Y133 HydrophobicContact CG-CE1 4.23Å; K130-Y133 WeakPolarHBondContact CG-OH 3.5Å; Y133-G136 PolarHBondContact O-N 2.97Å; Y133-H137 WeakPolarHBondContact O-CB 3.39Å; Y133-H137 PolarHBondContact O-CD2 3.44Å; Y133-H137 VanDerWaalsContact O-CD2 3.32Å; Y133-H137 PolarHBondContact O-N 3.17Å; Y133-V179 HydrophobicContact CD2-CG1 4.12Å; Y133-V179 HydrophobicContact CE2-CG1 3.74Å; Y133-D183 VanDerWaalsContact CE2-OD2 3.24Å; Y133-D183 WeakPolarHBondContact CE2-OD2 3.46Å; Y133-D183 VanDerWaalsContact OH-CG 3.24Å; Y133-D183 PolarHBondContact OH-OD1 3.41Å; Y133-D183 PolarHBondContact OH-OD2 3.15Å; Y133-D183 VanDerWaalsContact OH-OD2 3.1Å; Y133-L362 HydrophobicContact CD1-CB 4.47Å; Y133-L362 HydrophobicContact CD1-CD2 3.68Å; Y133-L362 HydrophobicContact CE1-CD2 4.04Å; Y133-L362 HydrophobicContact CG-CD2 4.34Å; Y133-S366 WeakPolarHBondContact O-CB 3.47Å
134T92Very high90.5Very high44 Ų4450.2 Ų50.227%0.2728%0.278SS..Hα-helixtrans-64.9-46.2178.1-65.50000110.8K130 I131 I132 S138 F180K130-T134 WeakPolarHBondContact O-CB 3.41Å; K130-T134 PolarHBondContact O-N 3.33Å; K130-T134 PolarHBondContact O-OG1 3.39Å; I131-T134 PolarHBondContact O-N 3.32Å; I132-T134 VanDerWaalsContact C-N 3.33Å; I132-T134 PolarHBondContact O-N 3.3Å; T134-S138 WeakPolarHBondContact O-CB 3.48Å; T134-S138 PolarHBondContact O-N 2.93Å; T134-S138 PolarHBondContact O-OG 3.47Å; T134-F180 HydrophobicContact CG2-CE1 4.06Å
135V93.4Very high91.3Very high71 Ų7153.2 Ų53.243%0.4328%0.282SS..Hα-helixtrans-62-45.8174.8170.50000110.1I131 S138 I139I131-V135 HydrophobicContact CG2-CG2 4.4Å; I131-V135 WeakPolarHBondContact O-CB 3.38Å; I131-V135 VanDerWaalsContact O-CG2 3.28Å; I131-V135 WeakPolarHBondContact O-CG2 3.3Å; I131-V135 PolarHBondContact O-N 2.96Å; V135-S138 PolarHBondContact O-N 3.18Å; V135-I139 HydrophobicContact CG1-CD1 3.8Å; V135-I139 WeakPolarHBondContact O-CG1 3.34Å; V135-I139 PolarHBondContact O-N 3.26Å
136G93.7Very high92.1Very high0 Ų053.1 Ų53.10%029%0.289CS..Hα-helixtrans-61.1-45.817900000113.5I132 Y133 S140 S366I132-G136 PolarHBondContact O-N 3.4Å; Y133-G136 PolarHBondContact O-N 2.97Å; G136-S140 WeakPolarHBondContact O-CB 3.13Å; G136-S140 PolarHBondContact O-N 2.99Å; G136-S140 PolarHBondContact O-OG 3.35Å; G136-S140 VanDerWaalsContact O-OG 3.09Å; G136-S366 CarbonylContact C-O 3.43Å
137H94.3Very high92.8Very high16 Ų1647.8 Ų47.87%0.07427%0.265CS..Hα-helixtrans-65.8-39176.7-82.8-50.7000112.8Y133 S140 I141 A176 F180Y133-H137 WeakPolarHBondContact O-CB 3.39Å; Y133-H137 PolarHBondContact O-CD2 3.44Å; Y133-H137 VanDerWaalsContact O-CD2 3.32Å; Y133-H137 PolarHBondContact O-N 3.17Å; H137-S140 PolarHBondContact O-N 3.29Å; H137-I141 WeakPolarHBondContact O-CG1 3.15Å; H137-I141 PolarHBondContact O-N 2.97Å; H137-A176 HydrophobicContact CB-CB 3.98Å; H137-F180 HydrophobicContact CB-CE1 4.12Å; H137-F180 HydrophobicContact CB-CZ 3.83Å
138S95.6Very high93.3Very high50 Ų5046.1 Ų46.135%0.3525%0.251SS..Hα-helixtrans-61.5-49.2176.8-60.30000111.6T134 V135 S140 I141 V142T134-S138 WeakPolarHBondContact O-CB 3.48Å; T134-S138 PolarHBondContact O-N 2.93Å; T134-S138 PolarHBondContact O-OG 3.47Å; V135-S138 PolarHBondContact O-N 3.18Å; S138-S140 VanDerWaalsContact C-N 3.33Å; S138-S140 PolarHBondContact O-N 3.35Å; S138-I141 PolarHBondContact O-N 3.46Å; S138-V142 WeakPolarHBondContact O-CG2 3.22Å; S138-V142 PolarHBondContact O-N 3.46Å; S138-V142 VanDerWaalsContact O-N 3.16Å
139I95.8Very high93.8Very high71 Ų7146.2 Ų46.236%0.36425%0.251SS..Hα-helixtrans-61.2-44.3176.9-67.9168.5000110.5V135 V142 A143 F367 F370V135-I139 HydrophobicContact CG1-CD1 3.8Å; V135-I139 WeakPolarHBondContact O-CG1 3.34Å; V135-I139 PolarHBondContact O-N 3.26Å; I139-V142 PolarHBondContact O-N 2.97Å; I139-A143 WeakPolarHBondContact O-CB 3.5Å; I139-A143 PolarHBondContact O-N 3.06Å; I139-F367 HydrophobicContact CD1-CE1 4.2Å; I139-F370 HydrophobicContact CG2-CB 4.41Å; I139-F370 HydrophobicContact CG2-CD2 3.6Å; I139-F370 HydrophobicContact CG2-CE2 3.88Å; I139-F370 HydrophobicContact CG2-CG 3.96Å; I139-F370 HydrophobicContact CG2-CZ 4.43Å
140S95.6Very high94.2Very high4 Ų447.4 Ų47.43%0.02826%0.257CS..Hα-helixtrans-59.5-47.4177-740000112.3G136 H137 S138 V142 A143 L144 S366 F370G136-S140 WeakPolarHBondContact O-CB 3.13Å; G136-S140 PolarHBondContact O-N 2.99Å; G136-S140 PolarHBondContact O-OG 3.35Å; G136-S140 VanDerWaalsContact O-OG 3.09Å; H137-S140 PolarHBondContact O-N 3.29Å; S138-S140 VanDerWaalsContact C-N 3.33Å; S138-S140 PolarHBondContact O-N 3.35Å; S140-V142 PolarHBondContact O-N 3.04Å; S140-A143 PolarHBondContact O-N 3.04Å; S140-L144 VanDerWaalsContact O-CB 3.26Å; S140-L144 WeakPolarHBondContact O-CB 3.14Å; S140-L144 WeakPolarHBondContact O-CD1 3.42Å; S140-L144 WeakPolarHBondContact O-CG 3.08Å; S140-L144 PolarHBondContact O-N 3.4Å; S140-S366 PolarHBondContact OG-O 3.23Å; S140-F370 WeakPolarHBondContact OG-CB 3.44Å; S140-F370 PolarHBondContact OG-N 2.99Å
141I96.8Very high94.4Very high39 Ų3944.8 Ų44.820%0.225%0.246CC..Hα-helixtrans-58.5-50.2179.1-74.7162.1000110.8H137 S138 A143 L144 F145 A176 F180H137-I141 WeakPolarHBondContact O-CG1 3.15Å; H137-I141 PolarHBondContact O-N 2.97Å; S138-I141 PolarHBondContact O-N 3.46Å; I141-A143 PolarHBondContact O-N 2.87Å; I141-L144 PolarHBondContact O-N 3.45Å; I141-F145 WeakPolarHBondContact O-CB 3.22Å; I141-F145 PolarHBondContact O-N 3.5Å; I141-A176 HydrophobicContact CD1-CB 3.46Å; I141-A176 VanDerWaalsContact CD1-CB 3.46Å; I141-A176 HydrophobicContact CG1-CB 3.59Å; I141-F180 HydrophobicContact CD1-CD2 4.09Å; I141-F180 HydrophobicContact CD1-CE2 3.46Å; I141-F180 VanDerWaalsContact CD1-CE2 3.46Å; I141-F180 HydrophobicContact CD1-CZ 4.31Å
142V97.1Very high94.6Very high97 Ų9743.6 Ų43.659%0.58824%0.244SC*.Hα-helixtrans-60.1-48-178.4174.80000110.5S138 I139 S140 L144 F145 V146S138-V142 WeakPolarHBondContact O-CG2 3.22Å; S138-V142 PolarHBondContact O-N 3.46Å; S138-V142 VanDerWaalsContact O-N 3.16Å; I139-V142 PolarHBondContact O-N 2.97Å; S140-V142 PolarHBondContact O-N 3.04Å; V142-L144 PolarHBondContact O-N 3.47Å; V142-F145 PolarHBondContact O-N 3.25Å; V142-V146 WeakPolarHBondContact O-CG2 3.41Å; V142-V146 PolarHBondContact O-N 3.36Å; V142-V146 VanDerWaalsContact O-N 3.12Å
143A96.9Very high94.7Very high11 Ų1143.3 Ų43.39%0.09125%0.251CS..Hα-helixtrans-62.8-42.317900000112.7I139 S140 I141 V146 A147 F370 A373 F378I139-A143 WeakPolarHBondContact O-CB 3.5Å; I139-A143 PolarHBondContact O-N 3.06Å; S140-A143 PolarHBondContact O-N 3.04Å; I141-A143 PolarHBondContact O-N 2.87Å; A143-V146 PolarHBondContact O-N 3.47Å; A143-A147 WeakPolarHBondContact O-CB 3.25Å; A143-A147 PolarHBondContact O-N 3.31Å; A143-F370 HydrophobicContact CB-CD2 3.67Å; A143-F370 HydrophobicContact CB-CE2 4.27Å; A143-A373 HydrophobicContact CB-CB 4.21Å; A143-F378 HydrophobicContact CB-CE2 4.27Å
144L96.8Very high94.7Very high0 Ų043.2 Ų43.20%025%0.252CS..Hα-helixtrans-68.2-39.8179-71.8165.7000111.9S140 I141 V142 V146 A147 I148 F169 F172 I173 A373S140-L144 VanDerWaalsContact O-CB 3.26Å; S140-L144 WeakPolarHBondContact O-CB 3.14Å; S140-L144 WeakPolarHBondContact O-CD1 3.42Å; S140-L144 WeakPolarHBondContact O-CG 3.08Å; S140-L144 PolarHBondContact O-N 3.4Å; I141-L144 PolarHBondContact O-N 3.45Å; V142-L144 PolarHBondContact O-N 3.47Å; L144-V146 VanDerWaalsContact C-N 3.34Å; L144-V146 PolarHBondContact O-N 3.38Å; L144-A147 PolarHBondContact O-N 3.43Å; L144-I148 WeakPolarHBondContact O-CB 3.32Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 3.1Å; L144-F169 HydrophobicContact CD2-CB 3.75Å; L144-F169 HydrophobicContact CD2-CD1 3.81Å; L144-F169 HydrophobicContact CD2-CD2 4.31Å; L144-F169 HydrophobicContact CD2-CG 3.68Å; L144-F172 HydrophobicContact CD1-CB 3.41Å; L144-F172 VanDerWaalsContact CD1-CB 3.41Å; L144-F172 HydrophobicContact CD1-CG 4.35Å; L144-I173 HydrophobicContact CB-CD1 3.95Å; L144-I173 HydrophobicContact CB-CG1 3.86Å; L144-I173 HydrophobicContact CD1-CG1 4.1Å; L144-A373 HydrophobicContact CD2-CB 4Å; L144-A373 HydrophobicContact CG-CB 4.43Å
145F97Very high94.6Very high134 Ų13451.5 Ų51.559%0.58828%0.278SS*.Hα-helixtrans-62.2-44.1177.1-159.3-84.7000111I141 V142 T149I141-F145 WeakPolarHBondContact O-CB 3.22Å; I141-F145 PolarHBondContact O-N 3.5Å; V142-F145 PolarHBondContact O-N 3.25Å; F145-T149 WeakPolarHBondContact O-CB 3.2Å; F145-T149 PolarHBondContact O-N 2.99Å; F145-T149 PolarHBondContact O-OG1 2.88Å
146V96.6Very high94.3Very high68 Ų6856.6 Ų56.641%0.41229%0.29SS..Hα-helixtrans-62.1-44.8173.3175.10000110.9V142 A143 L144 T149 I150 F378V142-V146 WeakPolarHBondContact O-CG2 3.41Å; V142-V146 PolarHBondContact O-N 3.36Å; V142-V146 VanDerWaalsContact O-N 3.12Å; A143-V146 PolarHBondContact O-N 3.47Å; L144-V146 VanDerWaalsContact C-N 3.34Å; L144-V146 PolarHBondContact O-N 3.38Å; V146-T149 WeakPolarHBondContact O-CB 3.39Å; V146-T149 PolarHBondContact O-N 2.91Å; V146-I150 HydrophobicContact CG1-CD1 3.91Å; V146-I150 WeakPolarHBondContact O-CG1 3.34Å; V146-I150 PolarHBondContact O-N 3.06Å; V146-F378 HydrophobicContact CB-CZ 4.3Å; V146-F378 HydrophobicContact CG1-CE1 3.98Å; V146-F378 HydrophobicContact CG1-CZ 4.04Å
147A95.7Very high94Very high0 Ų056.9 Ų56.90%029%0.291CS..Hα-helixtrans-62.1-46.6179.100000112.8A143 L144 T149 I150 L151 F169 A373 C377 F378A143-A147 WeakPolarHBondContact O-CB 3.25Å; A143-A147 PolarHBondContact O-N 3.31Å; L144-A147 PolarHBondContact O-N 3.43Å; A147-T149 VanDerWaalsContact C-N 3.31Å; A147-T149 PolarHBondContact O-N 2.97Å; A147-I150 PolarHBondContact O-N 3.12Å; A147-L151 WeakPolarHBondContact O-CG 3.35Å; A147-L151 PolarHBondContact O-N 3.01Å; A147-F169 HydrophobicContact CB-CD2 4.12Å; A147-F169 HydrophobicContact CB-CE2 3.93Å; A147-A373 HydrophobicContact CB-CB 4.23Å; A147-C377 HydrophobicContact CB-CB 3.71Å; A147-F378 HydrophobicContact CB-CZ 4.4Å
148I95.7Very high93.7Very high30 Ų3061.6 Ų61.615%0.15431%0.313CS..Hα-helixtrans-58.9-45.7174.7-69.6174.5000109.9L144 I150 L151 V152 T166 F169 I173L144-I148 WeakPolarHBondContact O-CB 3.32Å; L144-I148 WeakPolarHBondContact O-CG1 3.45Å; L144-I148 PolarHBondContact O-N 3.1Å; I148-I150 VanDerWaalsContact C-N 3.31Å; I148-I150 PolarHBondContact O-N 3.16Å; I148-L151 PolarHBondContact O-N 3.41Å; I148-V152 HydrophobicContact CG2-CG2 4.06Å; I148-V152 WeakPolarHBondContact O-CB 3.22Å; I148-V152 VanDerWaalsContact O-CG2 3.29Å; I148-V152 WeakPolarHBondContact O-CG2 3.35Å; I148-V152 PolarHBondContact O-N 2.85Å; I148-T166 HydrophobicContact CG1-CG2 4.48Å; I148-T166 HydrophobicContact CG2-CG2 4.21Å; I148-F169 HydrophobicContact CD1-CB 3.76Å; I148-F169 HydrophobicContact CG1-CB 3.7Å; I148-F169 HydrophobicContact CG1-CD2 3.92Å; I148-F169 HydrophobicContact CG1-CG 4.35Å; I148-I173 HydrophobicContact CD1-CD1 3.58Å
149T95Very high93.2Very high74 Ų7459.8 Ų59.845%0.45430%0.3SS..Hα-helixtrans-58.6-43.7179.3-59.20000111.4F145 V146 A147 A153F145-T149 WeakPolarHBondContact O-CB 3.2Å; F145-T149 PolarHBondContact O-N 2.99Å; F145-T149 PolarHBondContact O-OG1 2.88Å; V146-T149 WeakPolarHBondContact O-CB 3.39Å; V146-T149 PolarHBondContact O-N 2.91Å; A147-T149 VanDerWaalsContact C-N 3.31Å; A147-T149 PolarHBondContact O-N 2.97Å; T149-A153 WeakPolarHBondContact O-CB 3.38Å; T149-A153 PolarHBondContact O-N 2.83Å
150I93.9Very high92.8Very high35 Ų3560 Ų6018%0.17931%0.306CS..Hα-helixtrans-62.8-49.7176.5-68.3166.2000111.2V146 A147 I148 V152 A153 L154 F378 V383 I387V146-I150 HydrophobicContact CG1-CD1 3.91Å; V146-I150 WeakPolarHBondContact O-CG1 3.34Å; V146-I150 PolarHBondContact O-N 3.06Å; A147-I150 PolarHBondContact O-N 3.12Å; I148-I150 VanDerWaalsContact C-N 3.31Å; I148-I150 PolarHBondContact O-N 3.16Å; I150-V152 VanDerWaalsContact C-N 3.34Å; I150-V152 PolarHBondContact O-N 2.99Å; I150-A153 PolarHBondContact O-N 3.12Å; I150-L154 HydrophobicContact CG2-CD1 3.96Å; I150-L154 WeakPolarHBondContact O-CG 3.06Å; I150-L154 PolarHBondContact O-N 3.49Å; I150-F378 HydrophobicContact CD1-CD1 4.38Å; I150-F378 HydrophobicContact CD1-CE1 3.88Å; I150-V383 HydrophobicContact CG2-CG1 3.75Å; I150-I387 HydrophobicContact CG2-CD1 4.2Å
151L92.7Very high92.4Very high3 Ų362.5 Ų62.52%0.01632%0.315CS..Hα-helixtrans-64.7-36.7-177.8-68.7-179.2000112.5A147 I148 L157 H158 F169 V383A147-L151 WeakPolarHBondContact O-CG 3.35Å; A147-L151 PolarHBondContact O-N 3.01Å; I148-L151 PolarHBondContact O-N 3.41Å; L151-L157 HydrophobicContact CD2-CD1 4.05Å; L151-H158 PolarHBondContact O-CD2 3.15Å; L151-F169 HydrophobicContact CD1-CD2 4.28Å; L151-F169 HydrophobicContact CD1-CE2 3.65Å; L151-F169 HydrophobicContact CD1-CZ 4.45Å; L151-V383 HydrophobicContact CD2-CG2 4.31Å
152V92.5Very high92.1Very high80 Ų8060.9 Ų60.949%0.48531%0.307SS..Hα-helixtrans-76.3-41178.8173.70000111.3I148 I150 L154 H158I148-V152 HydrophobicContact CG2-CG2 4.06Å; I148-V152 WeakPolarHBondContact O-CB 3.22Å; I148-V152 VanDerWaalsContact O-CG2 3.29Å; I148-V152 WeakPolarHBondContact O-CG2 3.35Å; I148-V152 PolarHBondContact O-N 2.85Å; I150-V152 VanDerWaalsContact C-N 3.34Å; I150-V152 PolarHBondContact O-N 2.99Å; V152-L154 PolarHBondContact O-N 3.04Å; V152-H158 PolarHBondContact O-CE1 2.78Å; V152-H158 PolarHBondContact O-NE2 3.42Å
153A92Very high91.8Very high61 Ų6161 Ų6150%0.50430%0.297SS..Hα-helixtrans-70.5-28.7-176.600000113.8T149 I150 R155T149-A153 WeakPolarHBondContact O-CB 3.38Å; T149-A153 PolarHBondContact O-N 2.83Å; I150-A153 PolarHBondContact O-N 3.12Å; A153-R155 PolarHBondContact O-N 2.76Å
154L90.5Very high91.5Very high20 Ų2060.6 Ų60.611%0.10529%0.294CS..  trans-94.793.8-179-62.5177.6000110.7I150 V152 R156 L157 E386 I387 K390I150-L154 HydrophobicContact CG2-CD1 3.96Å; I150-L154 WeakPolarHBondContact O-CG 3.06Å; I150-L154 PolarHBondContact O-N 3.49Å; V152-L154 PolarHBondContact O-N 3.04Å; L154-R156 PolarHBondContact O-N 3.47Å; L154-L157 HydrophobicContact CB-CB 4.41Å; L154-L157 HydrophobicContact CB-CD1 3.81Å; L154-L157 HydrophobicContact CB-CG 3.98Å; L154-L157 HydrophobicContact CD1-CD1 3.67Å; L154-L157 HydrophobicContact CD1-CG 4.49Å; L154-L157 HydrophobicContact CG-CD1 4.36Å; L154-L157 WeakPolarHBondContact O-CB 3.5Å; L154-L157 PolarHBondContact O-N 3.47Å; L154-E386 HydrophobicContact CD1-CB 4.27Å; L154-I387 HydrophobicContact CD1-CG1 4.16Å; L154-K390 HydrophobicContact CD2-CD 3.72Å
155R88.9Confident91.3Very high217 Ų21761.2 Ų61.282%0.81930%0.297SS*.G310 helixtrans-51-30.4-179.4-65.1-176-174168.31.7114.7A153 L157 H158A153-R155 PolarHBondContact O-N 2.76Å; R155-L157 PolarHBondContact O-N 3.23Å; R155-H158 WeakPolarHBondContact O-CB 3.43Å; R155-H158 PolarHBondContact O-N 3.14Å
156R86.7Confident91.1Very high179 Ų17956 Ų5668%0.67528%0.275SS*.G310 helixtrans-67.1-20.9178.4-72.1-80.6-172.2-175.10.5113.2L154 E386L154-R156 PolarHBondContact O-N 3.47Å; R156-E386 VanDerWaalsContact CB-OE2 3.3Å; R156-E386 WeakPolarHBondContact CB-OE2 3.32Å
157L88Confident91Very high5 Ų554.1 Ų54.13%0.02626%0.262CS..G310 helixtrans-91.45.5176.5-58.7-179.9000112.4L151 L154 R155 C159 N162 E382 V383 E386L151-L157 HydrophobicContact CD2-CD1 4.05Å; L154-L157 HydrophobicContact CB-CB 4.41Å; L154-L157 HydrophobicContact CB-CD1 3.81Å; L154-L157 HydrophobicContact CB-CG 3.98Å; L154-L157 HydrophobicContact CD1-CD1 3.67Å; L154-L157 HydrophobicContact CD1-CG 4.49Å; L154-L157 HydrophobicContact CG-CD1 4.36Å; L154-L157 WeakPolarHBondContact O-CB 3.5Å; L154-L157 PolarHBondContact O-N 3.47Å; R155-L157 PolarHBondContact O-N 3.23Å; L157-C159 PolarHBondContact O-N 3.39Å; L157-C159 PolarHBondContact O-SG 2.85Å; L157-N162 WeakPolarHBondContact O-CB 3.48Å; L157-N162 PolarHBondContact O-ND2 2.97Å; L157-E382 HydrophobicContact CD2-CB 4.49Å; L157-V383 HydrophobicContact CD1-CB 4.48Å; L157-V383 HydrophobicContact CD1-CG1 4.42Å; L157-V383 HydrophobicContact CD1-CG2 3.96Å; L157-E386 HydrophobicContact CD2-CG 4.08Å
158H87.6Confident90.9Very high116 Ų11654.1 Ų54.154%0.53726%0.262SS..  trans-78.784.3178.5-71.1172.6000111.9L151 V152 R155L151-H158 PolarHBondContact O-CD2 3.15Å; V152-H158 PolarHBondContact O-CE1 2.78Å; V152-H158 PolarHBondContact O-NE2 3.42Å; R155-H158 WeakPolarHBondContact O-CB 3.43Å; R155-H158 PolarHBondContact O-N 3.14Å
159C86.3Confident90.9Very high12 Ų1252.7 Ų52.78%0.08126%0.255CS..SBendtrans-129.2153.5-176.2-25.30000109.1L157 R161 N162 Y163 C423L157-C159 PolarHBondContact O-N 3.39Å; L157-C159 PolarHBondContact O-SG 2.85Å; C159-R161 PolarHBondContact O-N 3.5Å; C159-R161 VanDerWaalsContact O-N 3.12Å; C159-N162 PolarHBondContact O-N 2.84Å; C159-Y163 PolarHBondContact O-N 3.47Å; C159-C423 HydrophobicContact CB-CB 3.75Å; C159-C423 WeakPolarHBondContact CB-SG 3.38Å; C159-C423 WeakPolarHBondContact SG-CB 3.43Å; C159-C423 CovalentContact SG-SG 1.97Å; C159-C423 PolarHBondContact SG-SG 3.32Å
160P86.3Confident90.9Very high75 Ų7551.7 Ų51.749%0.48725%0.249SC..Hα-helixtrans-54.2-36.3-178.9-2734.9000113.3Y163 V164 F242P160-Y163 WeakPolarHBondContact O-CB 3.46Å; P160-Y163 PolarHBondContact O-N 3.49Å; P160-V164 WeakPolarHBondContact O-CG2 3.45Å; P160-V164 PolarHBondContact O-N 3.34Å; P160-F242 HydrophobicContact CB-CD2 4.48Å; P160-F242 HydrophobicContact CB-CE2 4.24Å
161R86.7Confident91Very high57 Ų5750 Ų5022%0.21524%0.24CC..Hα-helixtrans-59.7-52.6173.3-176.2-168.6-59.7126.27.7112.4C159 Y163 V164 H165 Y226 S421C159-R161 PolarHBondContact O-N 3.5Å; C159-R161 VanDerWaalsContact O-N 3.12Å; R161-Y163 PolarHBondContact O-N 2.95Å; R161-V164 WeakPolarHBondContact O-CB 3.28Å; R161-V164 PolarHBondContact O-N 3.12Å; R161-V164 VanDerWaalsContact O-N 3.1Å; R161-H165 VanDerWaalsContact CG-NE2 3.35Å; R161-H165 WeakPolarHBondContact CG-NE2 3.36Å; R161-H165 PolarHBondContact O-CD2 2.92Å; R161-H165 VanDerWaalsContact O-CD2 3.29Å; R161-H165 PolarHBondContact O-N 3.33Å; R161-Y226 HydrophobicContact CB-CE1 4.11Å; R161-Y226 HydrophobicContact CG-CE1 4.44Å; R161-S421 PolarHBondContact NH2-OG 3.47Å
162N91Very high91.1Very high5 Ų550.4 Ų50.43%0.02724%0.242CC..Hα-helixtrans-67.8-27.8-179.5-68.1-11.7000111.8L157 C159 H165 T166L157-N162 WeakPolarHBondContact O-CB 3.48Å; L157-N162 PolarHBondContact O-ND2 2.97Å; C159-N162 PolarHBondContact O-N 2.84Å; N162-H165 PolarHBondContact O-N 2.91Å; N162-T166 WeakPolarHBondContact O-CB 3.28Å; N162-T166 PolarHBondContact O-N 3.04Å; N162-T166 PolarHBondContact O-OG1 3.31Å
163Y91.1Very high91.3Very high100 Ų10048.6 Ų48.639%0.39223%0.229SC..Hα-helixtrans-64.4-45169.3-177.8-90.8000111.9C159 P160 R161 H165 T166 Q167 F242 V246C159-Y163 PolarHBondContact O-N 3.47Å; P160-Y163 WeakPolarHBondContact O-CB 3.46Å; P160-Y163 PolarHBondContact O-N 3.49Å; R161-Y163 PolarHBondContact O-N 2.95Å; Y163-H165 VanDerWaalsContact C-N 3.32Å; Y163-H165 PolarHBondContact O-N 3.32Å; Y163-T166 PolarHBondContact O-N 2.86Å; Y163-Q167 HydrophobicContact CD1-CG 4.06Å; Y163-Q167 HydrophobicContact CE1-CG 3.72Å; Y163-Q167 WeakPolarHBondContact O-CG 3.34Å; Y163-Q167 PolarHBondContact O-N 3.12Å; Y163-Q167 PolarHBondContact OH-NE2 3.49Å; Y163-F242 HydrophobicContact CD1-CE2 4.06Å; Y163-F242 AromaticContact CD1-CZ 3.46Å; Y163-F242 HydrophobicContact CD1-CZ 3.46Å; Y163-F242 VanDerWaalsContact CD1-CZ 3.46Å; Y163-F242 AromaticContact CE1-CZ 3.83Å; Y163-F242 HydrophobicContact CE1-CZ 3.83Å; Y163-F242 HydrophobicContact CG-CZ 4.27Å; Y163-V246 HydrophobicContact CE1-CG2 4.21Å
164V90.9Very high91.5Very high2 Ų248.8 Ų48.81%0.01222%0.221CC..Hα-helixtrans-59.1-44.1173.9175.10000110.7P160 R161 T166 Q167 L168 W219 E223 Y226 F242P160-V164 WeakPolarHBondContact O-CG2 3.45Å; P160-V164 PolarHBondContact O-N 3.34Å; R161-V164 WeakPolarHBondContact O-CB 3.28Å; R161-V164 PolarHBondContact O-N 3.12Å; R161-V164 VanDerWaalsContact O-N 3.1Å; V164-T166 PolarHBondContact O-N 3.29Å; V164-Q167 PolarHBondContact O-N 3.22Å; V164-L168 WeakPolarHBondContact O-CB 3.35Å; V164-L168 PolarHBondContact O-N 3.24Å; V164-W219 HydrophobicContact CG1-CZ3 4.44Å; V164-E223 HydrophobicContact CG1-CB 4.09Å; V164-E223 HydrophobicContact CG1-CG 4.31Å; V164-Y226 HydrophobicContact CG2-CD1 4.32Å; V164-Y226 HydrophobicContact CG2-CG 4.3Å; V164-F242 HydrophobicContact CG2-CD2 4.46Å; V164-F242 HydrophobicContact CG2-CE2 3.91Å
165H92Very high91.7Very high13 Ų1349.3 Ų49.36%0.0622%0.223CC..Hα-helixtrans-61.7-43.5175.6-62.9-45.3000112.4R161 N162 Y163 Q167 L168 F169 E223 Y376R161-H165 VanDerWaalsContact CG-NE2 3.35Å; R161-H165 WeakPolarHBondContact CG-NE2 3.36Å; R161-H165 PolarHBondContact O-CD2 2.92Å; R161-H165 VanDerWaalsContact O-CD2 3.29Å; R161-H165 PolarHBondContact O-N 3.33Å; N162-H165 PolarHBondContact O-N 2.91Å; Y163-H165 VanDerWaalsContact C-N 3.32Å; Y163-H165 PolarHBondContact O-N 3.32Å; H165-Q167 VanDerWaalsContact C-N 3.34Å; H165-Q167 PolarHBondContact O-N 3.04Å; H165-L168 WeakPolarHBondContact O-CB 3.48Å; H165-L168 PolarHBondContact O-N 3.49Å; H165-F169 HydrophobicContact CB-CE1 4.14Å; H165-F169 HydrophobicContact CB-CZ 4.01Å; H165-F169 WeakPolarHBondContact O-CB 3.5Å; H165-F169 WeakPolarHBondContact O-CD1 3.37Å; H165-F169 WeakPolarHBondContact O-CG 3.34Å; H165-F169 PolarHBondContact O-N 2.88Å; H165-E223 IonicContact CE1-OE1 2.68Å; H165-E223 PolarHBondContact CE1-OE1 3.47Å; H165-E223 IonicContact ND1-OE1 3.2Å; H165-E223 PolarHBondContact ND1-OE1 3.43Å; H165-Y376 AromaticContact CE1-CD1 3.77Å; H165-Y376 AromaticContact CE1-CD2 3.95Å; H165-Y376 AromaticContact CE1-CE1 3.74Å; H165-Y376 AromaticContact CE1-CE2 3.9Å; H165-Y376 AromaticContact CE1-CG 3.88Å; H165-Y376 AromaticContact CE1-CZ 3.77Å; H165-Y376 AromaticContact ND1-CD2 3.8Å; H165-Y376 AromaticContact ND1-CE2 3.94Å; H165-Y376 AromaticContact ND1-CG 4Å
166T93.2Very high92Very high23 Ų2339 Ų3914%0.14118%0.184CC..Hα-helixtrans-61.9-40.4176.2-62.30000112.3I148 N162 Y163 V164 F169 T170I148-T166 HydrophobicContact CG1-CG2 4.48Å; I148-T166 HydrophobicContact CG2-CG2 4.21Å; N162-T166 WeakPolarHBondContact O-CB 3.28Å; N162-T166 PolarHBondContact O-N 3.04Å; N162-T166 PolarHBondContact O-OG1 3.31Å; Y163-T166 PolarHBondContact O-N 2.86Å; V164-T166 PolarHBondContact O-N 3.29Å; T166-F169 PolarHBondContact O-N 3.21Å; T166-T170 PolarHBondContact O-N 2.96Å; T166-T170 PolarHBondContact O-OG1 2.68Å
167Q94.8Very high92.4Very high30 Ų3032.1 Ų32.114%0.1417%0.169CC..Hα-helixtrans-63.6-47.5174.7-69.1-66.3-26.800110.6Y163 V164 H165 F169 T170 T171 W219Y163-Q167 HydrophobicContact CD1-CG 4.06Å; Y163-Q167 HydrophobicContact CE1-CG 3.72Å; Y163-Q167 WeakPolarHBondContact O-CG 3.34Å; Y163-Q167 PolarHBondContact O-N 3.12Å; Y163-Q167 PolarHBondContact OH-NE2 3.49Å; V164-Q167 PolarHBondContact O-N 3.22Å; H165-Q167 VanDerWaalsContact C-N 3.34Å; H165-Q167 PolarHBondContact O-N 3.04Å; Q167-F169 VanDerWaalsContact C-N 3.34Å; Q167-F169 PolarHBondContact O-N 3.06Å; Q167-T170 WeakPolarHBondContact O-CB 3.13Å; Q167-T170 PolarHBondContact O-N 3.37Å; Q167-T170 VanDerWaalsContact O-N 3.15Å; Q167-T171 WeakPolarHBondContact O-CG2 3.37Å; Q167-T171 PolarHBondContact O-N 3.24Å; Q167-W219 HydrophobicContact CB-CD2 3.96Å; Q167-W219 HydrophobicContact CB-CE3 3.63Å; Q167-W219 HydrophobicContact CB-CH2 3.45Å; Q167-W219 VanDerWaalsContact CB-CH2 3.45Å; Q167-W219 HydrophobicContact CB-CZ2 3.8Å; Q167-W219 HydrophobicContact CB-CZ3 3.35Å; Q167-W219 HydrophobicContact CG-CH2 3.56Å; Q167-W219 HydrophobicContact CG-CZ2 4.02Å; Q167-W219 HydrophobicContact CG-CZ3 3.9Å
168L93.3Very high92.7Very high0 Ų032.2 Ų32.20%017%0.17CC..Hα-helixtrans-57.5-45.1175.4179.867.3000112.1V164 H165 T170 T171 F172 W219 L220 E223 V372V164-L168 WeakPolarHBondContact O-CB 3.35Å; V164-L168 PolarHBondContact O-N 3.24Å; H165-L168 WeakPolarHBondContact O-CB 3.48Å; H165-L168 PolarHBondContact O-N 3.49Å; L168-T170 VanDerWaalsContact C-N 3.3Å; L168-T170 PolarHBondContact O-N 2.86Å; L168-T171 PolarHBondContact O-N 2.87Å; L168-T171 VanDerWaalsContact O-N 3.07Å; L168-T171 PolarHBondContact O-OG1 3.47Å; L168-F172 HydrophobicContact CD1-CD2 4.33Å; L168-F172 HydrophobicContact CD1-CE2 3.82Å; L168-F172 HydrophobicContact CD2-CE2 4.2Å; L168-F172 HydrophobicContact CG-CD2 4.11Å; L168-F172 HydrophobicContact CG-CE2 3.76Å; L168-F172 WeakPolarHBondContact O-CD2 3.45Å; L168-F172 PolarHBondContact O-N 3.27Å; L168-F172 VanDerWaalsContact O-N 3.14Å; L168-W219 HydrophobicContact CD1-CB 4.02Å; L168-L220 HydrophobicContact CD1-CD2 3.7Å; L168-L220 HydrophobicContact CD1-CG 3.95Å; L168-L220 HydrophobicContact CD2-CD2 4.29Å; L168-E223 WeakPolarHBondContact CD2-OE2 3.05Å; L168-V372 HydrophobicContact CD2-CG1 4.24Å
169F95.6Very high92.8Very high0 Ų027.9 Ų27.90%015%0.152CC..Hα-helixtrans-61.7-41.1178-63.7-2000111.3L144 A147 I148 L151 H165 T166 Q167 T171 F172 I173 V372 Y376L144-F169 HydrophobicContact CD2-CB 3.75Å; L144-F169 HydrophobicContact CD2-CD1 3.81Å; L144-F169 HydrophobicContact CD2-CD2 4.31Å; L144-F169 HydrophobicContact CD2-CG 3.68Å; A147-F169 HydrophobicContact CB-CD2 4.12Å; A147-F169 HydrophobicContact CB-CE2 3.93Å; I148-F169 HydrophobicContact CD1-CB 3.76Å; I148-F169 HydrophobicContact CG1-CB 3.7Å; I148-F169 HydrophobicContact CG1-CD2 3.92Å; I148-F169 HydrophobicContact CG1-CG 4.35Å; L151-F169 HydrophobicContact CD1-CD2 4.28Å; L151-F169 HydrophobicContact CD1-CE2 3.65Å; L151-F169 HydrophobicContact CD1-CZ 4.45Å; H165-F169 HydrophobicContact CB-CE1 4.14Å; H165-F169 HydrophobicContact CB-CZ 4.01Å; H165-F169 WeakPolarHBondContact O-CB 3.5Å; H165-F169 WeakPolarHBondContact O-CD1 3.37Å; H165-F169 WeakPolarHBondContact O-CG 3.34Å; H165-F169 PolarHBondContact O-N 2.88Å; T166-F169 PolarHBondContact O-N 3.21Å; Q167-F169 VanDerWaalsContact C-N 3.34Å; Q167-F169 PolarHBondContact O-N 3.06Å; F169-T171 VanDerWaalsContact C-N 3.28Å; F169-T171 PolarHBondContact O-N 3.49Å; F169-F172 PolarHBondContact O-N 3.29Å; F169-I173 WeakPolarHBondContact O-CG1 3.39Å; F169-I173 PolarHBondContact O-N 3.26Å; F169-I173 VanDerWaalsContact O-N 3.07Å; F169-V372 HydrophobicContact CD1-CG1 4Å; F169-V372 HydrophobicContact CE1-CG1 3.47Å; F169-V372 VanDerWaalsContact CE1-CG1 3.47Å; F169-V372 HydrophobicContact CZ-CG1 4.46Å; F169-Y376 HydrophobicContact CE1-CD2 4.35Å
170T95.5Very high93.2Very high53 Ų5330.3 Ų30.333%0.32516%0.161SC..Hα-helixtrans-58.6-40.3173.8-54.20000111.2T166 Q167 L168 F172 I173 L174T166-T170 PolarHBondContact O-N 2.96Å; T166-T170 PolarHBondContact O-OG1 2.68Å; Q167-T170 WeakPolarHBondContact O-CB 3.13Å; Q167-T170 PolarHBondContact O-N 3.37Å; Q167-T170 VanDerWaalsContact O-N 3.15Å; L168-T170 VanDerWaalsContact C-N 3.3Å; L168-T170 PolarHBondContact O-N 2.86Å; T170-F172 PolarHBondContact O-N 3.07Å; T170-I173 PolarHBondContact O-N 3.1Å; T170-L174 WeakPolarHBondContact O-CB 3.45Å; T170-L174 PolarHBondContact O-N 3.47Å
171T95.4Very high93.4Very high0 Ų030.1 Ų30.10%016%0.156CC..Hα-helixtrans-66.8-34.3177.271.80000113.7Q167 L168 F169 L174 K175 T215 N216 W219 W250Q167-T171 WeakPolarHBondContact O-CG2 3.37Å; Q167-T171 PolarHBondContact O-N 3.24Å; L168-T171 PolarHBondContact O-N 2.87Å; L168-T171 VanDerWaalsContact O-N 3.07Å; L168-T171 PolarHBondContact O-OG1 3.47Å; F169-T171 VanDerWaalsContact C-N 3.28Å; F169-T171 PolarHBondContact O-N 3.49Å; T171-L174 PolarHBondContact O-N 3.26Å; T171-K175 WeakPolarHBondContact O-CB 3.45Å; T171-K175 PolarHBondContact O-N 3.36Å; T171-T215 HydrophobicContact CG2-CG2 3.78Å; T171-N216 PolarHBondContact OG1-ND2 3.36Å; T171-N216 VanDerWaalsContact OG1-ND2 3.12Å; T171-W219 HydrophobicContact CG2-CB 3.82Å; T171-W219 HydrophobicContact CG2-CD2 4.48Å; T171-W219 HydrophobicContact CG2-CG 3.57Å; T171-W250 HydrophobicContact CG2-CH2 4.36Å; T171-W250 HydrophobicContact CG2-CZ2 4.46Å
172F94.9Very high93.4Very high10 Ų1029.6 Ų29.64%0.04416%0.155CC..Hα-helixtrans-68-39.3174.3-80.1-68000111.8L144 L168 F169 T170 K175 A176 N216 L220 Q368 V372L144-F172 HydrophobicContact CD1-CB 3.41Å; L144-F172 VanDerWaalsContact CD1-CB 3.41Å; L144-F172 HydrophobicContact CD1-CG 4.35Å; L168-F172 HydrophobicContact CD1-CD2 4.33Å; L168-F172 HydrophobicContact CD1-CE2 3.82Å; L168-F172 HydrophobicContact CD2-CE2 4.2Å; L168-F172 HydrophobicContact CG-CD2 4.11Å; L168-F172 HydrophobicContact CG-CE2 3.76Å; L168-F172 WeakPolarHBondContact O-CD2 3.45Å; L168-F172 PolarHBondContact O-N 3.27Å; L168-F172 VanDerWaalsContact O-N 3.14Å; F169-F172 PolarHBondContact O-N 3.29Å; T170-F172 PolarHBondContact O-N 3.07Å; F172-K175 PolarHBondContact O-N 3.02Å; F172-A176 WeakPolarHBondContact O-CB 3.22Å; F172-A176 PolarHBondContact O-N 3.38Å; F172-N216 WeakPolarHBondContact CD1-ND2 3.45Å; F172-N216 VanDerWaalsContact CE1-ND2 3.35Å; F172-N216 WeakPolarHBondContact CE1-ND2 3.45Å; F172-L220 HydrophobicContact CZ-CD2 4.24Å; F172-Q368 HydrophobicContact CE1-CB 4.14Å; F172-Q368 HydrophobicContact CE1-CG 3.91Å; F172-Q368 HydrophobicContact CZ-CG 3.9Å; F172-V372 HydrophobicContact CE2-CB 4.43Å; F172-V372 HydrophobicContact CE2-CG1 4.48Å; F172-V372 HydrophobicContact CE2-CG2 3.72Å; F172-V372 HydrophobicContact CZ-CG2 3.94Å
173I96.4Very high93.2Very high42 Ų4230.3 Ų30.322%0.21516%0.159CC..Hα-helixtrans-63.4-45173.1-64.7171.9000110.1L144 I148 F169 T170 K175 A176 G177L144-I173 HydrophobicContact CB-CD1 3.95Å; L144-I173 HydrophobicContact CB-CG1 3.86Å; L144-I173 HydrophobicContact CD1-CG1 4.1Å; I148-I173 HydrophobicContact CD1-CD1 3.58Å; F169-I173 WeakPolarHBondContact O-CG1 3.39Å; F169-I173 PolarHBondContact O-N 3.26Å; F169-I173 VanDerWaalsContact O-N 3.07Å; T170-I173 PolarHBondContact O-N 3.1Å; I173-K175 PolarHBondContact O-N 3.48Å; I173-A176 PolarHBondContact O-N 3.09Å; I173-G177 PolarHBondContact O-N 3.39Å
174L95.8Very high93Very high65 Ų6528.2 Ų28.234%0.3416%0.162SC..Hα-helixtrans-59.7-44.8176.8-178.866.8000111.5T170 T171 G177 A178 F211 A212 W250T170-L174 WeakPolarHBondContact O-CB 3.45Å; T170-L174 PolarHBondContact O-N 3.47Å; T171-L174 PolarHBondContact O-N 3.26Å; L174-G177 PolarHBondContact O-N 3.42Å; L174-A178 WeakPolarHBondContact O-CB 3.13Å; L174-A178 PolarHBondContact O-N 3.01Å; L174-F211 HydrophobicContact CD2-CD1 4.34Å; L174-F211 HydrophobicContact CD2-CE1 3.98Å; L174-A212 HydrophobicContact CD2-CB 4.24Å; L174-A212 HydrophobicContact CG-CB 3.86Å; L174-W250 HydrophobicContact CD2-CH2 4.49Å; L174-W250 HydrophobicContact CD2-CZ3 4.21Å
175K94.8Very high92.5Very high31 Ų3128.5 Ų28.514%0.13517%0.165CC..Hα-helixtrans-60.1-50176.5-176.1-176.4177.1-175.80111.4T171 F172 I173 G177 A178 V179 A212 N216T171-K175 WeakPolarHBondContact O-CB 3.45Å; T171-K175 PolarHBondContact O-N 3.36Å; F172-K175 PolarHBondContact O-N 3.02Å; I173-K175 PolarHBondContact O-N 3.48Å; K175-G177 PolarHBondContact O-N 3.34Å; K175-A178 PolarHBondContact O-N 2.72Å; K175-V179 WeakPolarHBondContact O-CG2 3.44Å; K175-V179 PolarHBondContact O-N 2.84Å; K175-A212 HydrophobicContact CB-CB 4.46Å; K175-N216 HydrophobicContact CD-CB 4.29Å
176A95Very high91.6Very high1 Ų130.1 Ų30.11%0.00817%0.173CC..Hα-helixtrans-63-41.6178.900000112.1H137 I141 F172 I173 V179 F180H137-A176 HydrophobicContact CB-CB 3.98Å; I141-A176 HydrophobicContact CD1-CB 3.46Å; I141-A176 VanDerWaalsContact CD1-CB 3.46Å; I141-A176 HydrophobicContact CG1-CB 3.59Å; F172-A176 WeakPolarHBondContact O-CB 3.22Å; F172-A176 PolarHBondContact O-N 3.38Å; I173-A176 PolarHBondContact O-N 3.09Å; A176-V179 PolarHBondContact O-N 2.85Å; A176-F180 WeakPolarHBondContact O-CG 3.04Å; A176-F180 PolarHBondContact O-N 3.21Å
177G95.2Very high90.5Very high35 Ų3534.8 Ų34.836%0.36119%0.192SC..Hα-helixtrans-64-38.1174.600000113.2I173 L174 K175 F180 L181I173-G177 PolarHBondContact O-N 3.39Å; L174-G177 PolarHBondContact O-N 3.42Å; K175-G177 PolarHBondContact O-N 3.34Å; G177-F180 PolarHBondContact O-N 2.76Å; G177-L181 WeakPolarHBondContact O-CB 3.13Å; G177-L181 PolarHBondContact O-N 2.98Å
178A93.9Very high89.1Confident7 Ų738.8 Ų38.86%0.05821%0.211CC..Hα-helixtrans-69.2-35.9175.900000112.4L174 K175 L181 K182 A212L174-A178 WeakPolarHBondContact O-CB 3.13Å; L174-A178 PolarHBondContact O-N 3.01Å; K175-A178 PolarHBondContact O-N 2.72Å; A178-L181 PolarHBondContact O-N 2.96Å; A178-K182 WeakPolarHBondContact O-CB 3.16Å; A178-K182 PolarHBondContact O-N 2.84Å; A178-A212 HydrophobicContact CB-CB 3.65Å
179V91.3Very high87.2Confident24 Ų2441.8 Ų41.815%0.14523%0.231CC..Hα-helixtrans-62.8-47.6171.9170.70000110.4Y133 K175 A176 L181 K182 D183Y133-V179 HydrophobicContact CD2-CG1 4.12Å; Y133-V179 HydrophobicContact CE2-CG1 3.74Å; K175-V179 WeakPolarHBondContact O-CG2 3.44Å; K175-V179 PolarHBondContact O-N 2.84Å; A176-V179 PolarHBondContact O-N 2.85Å; V179-L181 VanDerWaalsContact C-N 3.32Å; V179-L181 PolarHBondContact O-N 3.12Å; V179-K182 WeakPolarHBondContact O-CB 3.33Å; V179-K182 PolarHBondContact O-N 2.98Å; V179-K182 VanDerWaalsContact O-N 3.17Å; V179-D183 VanDerWaalsContact O-CG 3.3Å; V179-D183 PolarHBondContact O-N 3.37Å
180F93Very high85.3Confident63 Ų6349.6 Ų49.628%0.27627%0.273SS..Hα-helixtrans-63.5-36.3176.1-66-27.7000113.3T134 H137 I141 A176 G177 D183 A184T134-F180 HydrophobicContact CG2-CE1 4.06Å; H137-F180 HydrophobicContact CB-CE1 4.12Å; H137-F180 HydrophobicContact CB-CZ 3.83Å; I141-F180 HydrophobicContact CD1-CD2 4.09Å; I141-F180 HydrophobicContact CD1-CE2 3.46Å; I141-F180 VanDerWaalsContact CD1-CE2 3.46Å; I141-F180 HydrophobicContact CD1-CZ 4.31Å; A176-F180 WeakPolarHBondContact O-CG 3.04Å; A176-F180 PolarHBondContact O-N 3.21Å; G177-F180 PolarHBondContact O-N 2.76Å; F180-D183 PolarHBondContact O-N 3.34Å; F180-A184 VanDerWaalsContact O-CB 3.28Å; F180-A184 WeakPolarHBondContact O-CB 3.21Å; F180-A184 PolarHBondContact O-N 2.98Å
181L90.7Very high83.2Confident71 Ų7155 Ų5537%0.37230%0.3SS..Hα-helixtrans-64.1-42.9174-179.662.9000111.2G177 A178 V179 A184 A185 A208G177-L181 WeakPolarHBondContact O-CB 3.13Å; G177-L181 PolarHBondContact O-N 2.98Å; A178-L181 PolarHBondContact O-N 2.96Å; V179-L181 VanDerWaalsContact C-N 3.32Å; V179-L181 PolarHBondContact O-N 3.12Å; L181-A184 PolarHBondContact O-N 3.19Å; L181-A185 VanDerWaalsContact O-CB 3.23Å; L181-A185 WeakPolarHBondContact O-CB 2.98Å; L181-A185 PolarHBondContact O-N 3.32Å; L181-A208 HydrophobicContact CD2-CB 4.41Å
182K88.1Confident81Confident46 Ų4657.4 Ų57.420%0.232%0.315CS..Hα-helixtrans-63-45.4175179.9177.9171.6175.60111.1A178 V179 A184 A185 L186 D274A178-K182 WeakPolarHBondContact O-CB 3.16Å; A178-K182 PolarHBondContact O-N 2.84Å; V179-K182 WeakPolarHBondContact O-CB 3.33Å; V179-K182 PolarHBondContact O-N 2.98Å; V179-K182 VanDerWaalsContact O-N 3.17Å; K182-A184 PolarHBondContact O-N 3.38Å; K182-A185 PolarHBondContact O-N 3.38Å; K182-L186 HydrophobicContact CD-CD1 4.23Å; K182-L186 HydrophobicContact CG-CD1 3.71Å; K182-L186 HydrophobicContact CG-CG 4.35Å; K182-L186 WeakPolarHBondContact O-CB 3.45Å; K182-L186 WeakPolarHBondContact O-CG 3.38Å; K182-L186 PolarHBondContact O-N 2.83Å; K182-D274 WeakPolarHBondContact CE-OD1 3.33Å; K182-D274 WeakPolarHBondContact CE-OD2 3.44Å; K182-D274 IonicContact NZ-OD1 2.58Å; K182-D274 PolarHBondContact NZ-OD1 2.86Å; K182-D274 IonicContact NZ-OD2 2.64Å; K182-D274 PolarHBondContact NZ-OD2 3.17Å
183D87.1Confident79Confident21 Ų2162.7 Ų62.711%0.11234%0.343CS..Hα-helixtrans-62.2-43177.7-70.2-22.1000112Y133 V179 F180 A185 F187Y133-D183 VanDerWaalsContact CE2-OD2 3.24Å; Y133-D183 WeakPolarHBondContact CE2-OD2 3.46Å; Y133-D183 VanDerWaalsContact OH-CG 3.24Å; Y133-D183 PolarHBondContact OH-OD1 3.41Å; Y133-D183 PolarHBondContact OH-OD2 3.15Å; Y133-D183 VanDerWaalsContact OH-OD2 3.1Å; V179-D183 VanDerWaalsContact O-CG 3.3Å; V179-D183 PolarHBondContact O-N 3.37Å; F180-D183 PolarHBondContact O-N 3.34Å; D183-A185 VanDerWaalsContact C-N 3.3Å; D183-A185 PolarHBondContact O-N 3.31Å; D183-F187 HydrophobicContact CB-CD2 4.3Å; D183-F187 WeakPolarHBondContact O-CB 3.43Å; D183-F187 WeakPolarHBondContact O-CD2 3.4Å; D183-F187 PolarHBondContact O-N 3.07Å
184A85.1Confident77.1Confident55 Ų5565.5 Ų65.546%0.45536%0.355SS..Hα-helixtrans-68.2-30.7176.900000112.5F180 L181 K182F180-A184 VanDerWaalsContact O-CB 3.28Å; F180-A184 WeakPolarHBondContact O-CB 3.21Å; F180-A184 PolarHBondContact O-N 2.98Å; L181-A184 PolarHBondContact O-N 3.19Å; K182-A184 PolarHBondContact O-N 3.38Å
185A80.4Confident75.2Confident9 Ų963.7 Ų63.77%0.07435%0.348CS..Hα-helixtrans-79-33.3178.800000113.2L181 K182 D183 S198 L201L181-A185 VanDerWaalsContact O-CB 3.23Å; L181-A185 WeakPolarHBondContact O-CB 2.98Å; L181-A185 PolarHBondContact O-N 3.32Å; K182-A185 PolarHBondContact O-N 3.38Å; D183-A185 VanDerWaalsContact C-N 3.3Å; D183-A185 PolarHBondContact O-N 3.31Å; A185-S198 PolarHBondContact O-OG 3.43Å; A185-L201 HydrophobicContact CB-CD2 4.32Å; A185-L201 HydrophobicContact CB-CG 3.99Å
186L73.6Confident73.2Confident46 Ų4666.8 Ų66.824%0.24137%0.374CS..Hα-helixtrans-88.7-39.3-179.5-73.3174.6000113K182 C202K182-L186 HydrophobicContact CD-CD1 4.23Å; K182-L186 HydrophobicContact CG-CD1 3.71Å; K182-L186 HydrophobicContact CG-CG 4.35Å; K182-L186 WeakPolarHBondContact O-CB 3.45Å; K182-L186 WeakPolarHBondContact O-CG 3.38Å; K182-L186 PolarHBondContact O-N 2.83Å; L186-C202 WeakPolarHBondContact CD2-SG 3.29Å
187F71.1Confident71Confident122 Ų12273.8 Ų73.854%0.53540%0.404SS..SBendtrans-107.135.5-173.9-57-77.6000112.7K130 D183 S189K130-F187 HydrophobicContact CD-CE2 4.29Å; D183-F187 HydrophobicContact CB-CD2 4.3Å; D183-F187 WeakPolarHBondContact O-CB 3.43Å; D183-F187 WeakPolarHBondContact O-CD2 3.4Å; D183-F187 PolarHBondContact O-N 3.07Å; F187-S189 PolarHBondContact O-N 3.14Å
188H64.4Low69.2Low114 Ų11473.6 Ų73.653%0.52840%0.397SS..  trans-69.5116.1177.3-153.9-60000109.3
189S54.3Low68Low62 Ų6275.8 Ų75.843%0.43441%0.41SS..  trans15121.8171.354.50000118.3F187 D191 T192F187-S189 PolarHBondContact O-N 3.14Å; S189-D191 PolarHBondContact O-N 2.66Å; S189-T192 PolarHBondContact O-N 3.07Å; S189-T192 VanDerWaalsContact O-N 3.1Å; S189-T192 PolarHBondContact O-OG1 3.26Å; S189-T192 PolarHBondContact OG-OG1 2.92Å; S189-T192 VanDerWaalsContact OG-OG1 3.09Å
190D54.9Low67.5Low164 Ų16479.6 Ų79.688%0.87743%0.433SS*.THydrogen-bonded Turntrans-41.1-18.4177.6-66.6-19.9000117.1
191D51.7Low67Low167 Ų16780.2 Ų80.289%0.89344%0.439SS*.THydrogen-bonded Turntrans-94.912.4-178.2-76.3-34.8000114.7S189S189-D191 PolarHBondContact O-N 2.66Å
192T49.6Very low66.7Low50 Ų5077.2 Ų77.231%0.30742%0.423SS..SBendtrans-118.5122-175.1-36.40000111.5S189 H194S189-T192 PolarHBondContact O-N 3.07Å; S189-T192 VanDerWaalsContact O-N 3.1Å; S189-T192 PolarHBondContact O-OG1 3.26Å; S189-T192 PolarHBondContact OG-OG1 2.92Å; S189-T192 VanDerWaalsContact OG-OG1 3.09Å; T192-H194 PolarHBondContact O-N 2.96Å
193D52.9Low66.6Low121 Ų12175.9 Ų75.965%0.64742%0.418SS*.  trans-47.799.1175.8-68.9-35000111.5C195 S196 F197D193-C195 PolarHBondContact O-N 3.02Å; D193-S196 PolarHBondContact O-N 3.44Å; D193-F197 PolarHBondContact O-N 3.31Å
194H55.5Low66.7Low101 Ų10178.7 Ų78.747%0.46844%0.436SS..THydrogen-bonded Turntrans-53.4-14.5174-69.1-65.1000113.2T192T192-H194 PolarHBondContact O-N 2.96Å
195C56.3Low66.9Low27 Ų2776.1 Ų76.118%0.18241%0.414CS..THydrogen-bonded Turntrans-88-27.5-175.1-68.60000114.3M24 C28 D193M24-C195 HydrophobicContact CE-CB 3.3Å; M24-C195 WeakPolarHBondContact CE-O 3.15Å; C28-C195 VanDerWaalsContact CA-SG 3.58Å; C28-C195 HydrophobicContact CB-CB 3.98Å; C28-C195 WeakPolarHBondContact CB-SG 3.39Å; C28-C195 WeakPolarHBondContact SG-CA 3.25Å; C28-C195 WeakPolarHBondContact SG-CB 3.46Å; C28-C195 PolarHBondContact SG-N 3.36Å; C28-C195 CovalentContact SG-SG 2.05Å; C28-C195 PolarHBondContact SG-SG 2.79Å; D193-C195 PolarHBondContact O-N 3.02Å
196S52.6Low67.4Low96 Ų9675.7 Ų75.767%0.67141%0.411SS*.THydrogen-bonded Turntrans-111.5-18.9-171.5-51.60000113.1D193D193-S196 PolarHBondContact O-N 3.44Å
197F49.6Very low68.3Low149 Ų14974.3 Ų74.365%0.65441%0.406SS*.SBendtrans-121.2132.9-172.2-136.6-102.8000109.7D193D193-F197 PolarHBondContact O-N 3.31Å
198S57.4Low69.4Low30 Ų3070 Ų7021%0.2139%0.392CS..  trans98.218.5164.2-147.90000119.6A185 L201 C202A185-S198 PolarHBondContact O-OG 3.43Å; S198-L201 WeakPolarHBondContact OG-CB 3.32Å; S198-C202 WeakPolarHBondContact O-CA 3.36Å; S198-C202 WeakPolarHBondContact O-CB 3.32Å; S198-C202 PolarHBondContact O-N 3.46Å; S198-C202 PolarHBondContact OG-N 3.36Å
199T68.7Low70.7Confident54 Ų5465.4 Ų65.433%0.33137%0.374SS..Hα-helixtrans-63.2-48.1169.254.20000111.5K203T199-K203 VanDerWaalsContact O-CB 3.26Å; T199-K203 WeakPolarHBondContact O-CB 3.37Å; T199-K203 WeakPolarHBondContact O-CD 3.11Å; T199-K203 WeakPolarHBondContact O-CG 3.2Å; T199-K203 PolarHBondContact O-N 3.31Å
200V80.1Confident72.5Confident103 Ų10364 Ų6462%0.62436%0.36SS*.Hα-helixtrans-69.7-45.4179.5-178.80000111.7K203 V204V200-K203 PolarHBondContact O-N 3.05Å; V200-V204 HydrophobicContact CG1-CG2 4.31Å; V200-V204 WeakPolarHBondContact O-CB 3.36Å; V200-V204 VanDerWaalsContact O-CG2 3.25Å; V200-V204 WeakPolarHBondContact O-CG2 3.36Å; V200-V204 PolarHBondContact O-N 3.16Å
201L82.2Confident74.4Confident77 Ų7758.5 Ų58.540%0.40333%0.328SS..Hα-helixtrans-65.2-41.9179.3177.665000111.1A185 S198 V204 S205A185-L201 HydrophobicContact CB-CD2 4.32Å; A185-L201 HydrophobicContact CB-CG 3.99Å; S198-L201 WeakPolarHBondContact OG-CB 3.32Å; L201-V204 PolarHBondContact O-N 3.27Å; L201-S205 VanDerWaalsContact O-CB 3.28Å; L201-S205 WeakPolarHBondContact O-CB 3.35Å; L201-S205 PolarHBondContact O-N 3.24Å; L201-S205 PolarHBondContact O-OG 3.33Å
202C84.6Confident76.5Confident7 Ų750.6 Ų50.65%0.04729%0.286CS..Hα-helixtrans-61.2-51.2173.1-166.60000111.1L186 S198 V204 S205 V206 C272L186-C202 WeakPolarHBondContact CD2-SG 3.29Å; S198-C202 WeakPolarHBondContact O-CA 3.36Å; S198-C202 WeakPolarHBondContact O-CB 3.32Å; S198-C202 PolarHBondContact O-N 3.46Å; S198-C202 PolarHBondContact OG-N 3.36Å; C202-V204 VanDerWaalsContact C-N 3.33Å; C202-V204 PolarHBondContact O-N 3.44Å; C202-S205 PolarHBondContact O-N 2.94Å; C202-S205 VanDerWaalsContact O-N 3.09Å; C202-S205 PolarHBondContact O-OG 3.15Å; C202-V206 WeakPolarHBondContact O-CG2 3.37Å; C202-V206 PolarHBondContact O-N 3.38Å; C202-C272 HydrophobicContact CB-CB 3.81Å; C202-C272 WeakPolarHBondContact CB-SG 3.47Å; C202-C272 WeakPolarHBondContact SG-CB 3.5Å; C202-C272 CovalentContact SG-SG 2.02Å; C202-C272 PolarHBondContact SG-SG 2.77Å
203K86.6Confident78.5Confident18 Ų1849.6 Ų49.68%0.07828%0.28CS..Hα-helixtrans-53.7-46.8176-74.4170.3-174.1-174.80112.2T199 V200 A207 D269 A271 W273T199-K203 VanDerWaalsContact O-CB 3.26Å; T199-K203 WeakPolarHBondContact O-CB 3.37Å; T199-K203 WeakPolarHBondContact O-CD 3.11Å; T199-K203 WeakPolarHBondContact O-CG 3.2Å; T199-K203 PolarHBondContact O-N 3.31Å; V200-K203 PolarHBondContact O-N 3.05Å; K203-A207 VanDerWaalsContact O-CB 3.28Å; K203-A207 WeakPolarHBondContact O-CB 3.45Å; K203-A207 PolarHBondContact O-N 2.96Å; K203-D269 VanDerWaalsContact CE-OD1 3.28Å; K203-D269 WeakPolarHBondContact CE-OD1 3.47Å; K203-D269 PolarHBondContact NZ-O 3.22Å; K203-D269 IonicContact NZ-OD1 2.99Å; K203-D269 PolarHBondContact NZ-OD1 3.15Å; K203-D269 IonicContact NZ-OD2 3.06Å; K203-D269 PolarHBondContact NZ-OD2 3.5Å; K203-D269 VanDerWaalsContact NZ-OD2 3.15Å; K203-A271 WeakPolarHBondContact CE-O 3.16Å; K203-W273 HydrophobicContact CB-CD2 4.3Å; K203-W273 HydrophobicContact CB-CE3 4.2Å; K203-W273 HydrophobicContact CB-CH2 4.4Å; K203-W273 HydrophobicContact CB-CZ2 4.5Å; K203-W273 HydrophobicContact CB-CZ3 4.25Å; K203-W273 HydrophobicContact CD-CZ2 4.1Å; K203-W273 HydrophobicContact CG-CD2 3.97Å; K203-W273 HydrophobicContact CG-CE3 4.38Å; K203-W273 HydrophobicContact CG-CG 4.31Å; K203-W273 HydrophobicContact CG-CZ2 4.21Å
204V89.4Confident80.4Confident81 Ų8144 Ų4449%0.49125%0.25SS..Hα-helixtrans-65-42.7177.6170.70000111.4V200 L201 C202 A207 A208V200-V204 HydrophobicContact CG1-CG2 4.31Å; V200-V204 WeakPolarHBondContact O-CB 3.36Å; V200-V204 VanDerWaalsContact O-CG2 3.25Å; V200-V204 WeakPolarHBondContact O-CG2 3.36Å; V200-V204 PolarHBondContact O-N 3.16Å; L201-V204 PolarHBondContact O-N 3.27Å; C202-V204 VanDerWaalsContact C-N 3.33Å; C202-V204 PolarHBondContact O-N 3.44Å; V204-A207 PolarHBondContact O-N 3.45Å; V204-A208 VanDerWaalsContact O-CB 3.24Å; V204-A208 WeakPolarHBondContact O-CB 3.48Å; V204-A208 PolarHBondContact O-N 3.25Å
205S90Very high82.3Confident0 Ų039.2 Ų39.20%023%0.228CC..Hα-helixtrans-65.3-41.4179.877.30000112.3L201 C202 A208 S209L201-S205 VanDerWaalsContact O-CB 3.28Å; L201-S205 WeakPolarHBondContact O-CB 3.35Å; L201-S205 PolarHBondContact O-N 3.24Å; L201-S205 PolarHBondContact O-OG 3.33Å; C202-S205 PolarHBondContact O-N 2.94Å; C202-S205 VanDerWaalsContact O-N 3.09Å; C202-S205 PolarHBondContact O-OG 3.15Å; S205-A208 PolarHBondContact O-N 2.94Å; S205-S209 WeakPolarHBondContact O-CB 3.24Å; S205-S209 PolarHBondContact O-N 3.31Å
206V89.5Confident84.1Confident1 Ų138 Ų381%0.00622%0.219CC..Hα-helixtrans-66-47.5176.1173.20000110.2C202 A208 S209 H210 W260 W273 D274C202-V206 WeakPolarHBondContact O-CG2 3.37Å; C202-V206 PolarHBondContact O-N 3.38Å; V206-A208 VanDerWaalsContact C-N 3.32Å; V206-A208 PolarHBondContact O-N 2.8Å; V206-S209 WeakPolarHBondContact O-CB 3.41Å; V206-S209 PolarHBondContact O-N 2.88Å; V206-S209 VanDerWaalsContact O-N 3.15Å; V206-H210 PolarHBondContact O-CD2 3.44Å; V206-H210 VanDerWaalsContact O-CD2 3.29Å; V206-H210 PolarHBondContact O-N 3.4Å; V206-W260 HydrophobicContact CG1-CH2 4.08Å; V206-W273 HydrophobicContact CG1-CB 4.19Å; V206-D274 HydrophobicContact CG2-CB 3.93Å
207A92.2Very high86Confident17 Ų1734.3 Ų34.314%0.1419%0.191CC..Hα-helixtrans-59.9-41.817600000112.2K203 V204 H210 F211 W260 V261 W273K203-A207 VanDerWaalsContact O-CB 3.28Å; K203-A207 WeakPolarHBondContact O-CB 3.45Å; K203-A207 PolarHBondContact O-N 2.96Å; V204-A207 PolarHBondContact O-N 3.45Å; A207-H210 PolarHBondContact O-N 2.99Å; A207-F211 WeakPolarHBondContact O-CB 3.36Å; A207-F211 PolarHBondContact O-N 3.45Å; A207-W260 HydrophobicContact CB-CZ3 4.42Å; A207-V261 HydrophobicContact CB-CG2 3.98Å; A207-W273 HydrophobicContact CB-CZ3 4.26Å
208A94Very high88.1Confident30 Ų3028 Ų2825%0.24817%0.166CC..Hα-helixtrans-63.7-40.2175.400000111.9L181 V204 S205 V206 F211 A212L181-A208 HydrophobicContact CD2-CB 4.41Å; V204-A208 VanDerWaalsContact O-CB 3.24Å; V204-A208 WeakPolarHBondContact O-CB 3.48Å; V204-A208 PolarHBondContact O-N 3.25Å; S205-A208 PolarHBondContact O-N 2.94Å; V206-A208 VanDerWaalsContact C-N 3.32Å; V206-A208 PolarHBondContact O-N 2.8Å; A208-F211 PolarHBondContact O-N 3.25Å; A208-A212 WeakPolarHBondContact O-CB 3.37Å; A208-A212 PolarHBondContact O-N 3Å
209S92.5Very high89.8Confident19 Ų1926.6 Ų26.613%0.13316%0.156CC..Hα-helixtrans-63.9-45.1176.3-174.60000112.3S205 V206 A212 T213S205-S209 WeakPolarHBondContact O-CB 3.24Å; S205-S209 PolarHBondContact O-N 3.31Å; V206-S209 WeakPolarHBondContact O-CB 3.41Å; V206-S209 PolarHBondContact O-N 2.88Å; V206-S209 VanDerWaalsContact O-N 3.15Å; S209-A212 PolarHBondContact O-N 2.81Å; S209-T213 VanDerWaalsContact O-CB 3.28Å; S209-T213 WeakPolarHBondContact O-CB 3.36Å; S209-T213 PolarHBondContact O-N 3.35Å; S209-T213 PolarHBondContact O-OG1 3.34Å
210H92.7Very high90.9Very high31 Ų3124 Ų2414%0.14414%0.14CC..Hα-helixtrans-63.4-45.9174.5-71.5-51.8000112.1V206 A207 A212 T213 M214 T257 W260 W282 I285V206-H210 PolarHBondContact O-CD2 3.44Å; V206-H210 VanDerWaalsContact O-CD2 3.29Å; V206-H210 PolarHBondContact O-N 3.4Å; A207-H210 PolarHBondContact O-N 2.99Å; H210-A212 PolarHBondContact O-N 2.94Å; H210-T213 PolarHBondContact O-N 2.89Å; H210-M214 WeakPolarHBondContact O-CB 3.34Å; H210-M214 PolarHBondContact O-N 3.02Å; H210-T257 HydrophobicContact CB-CG2 4.48Å; H210-W260 AromaticContact CD2-CH2 3.48Å; H210-W260 VanDerWaalsContact CD2-CH2 3.48Å; H210-W260 WeakPolarHBondContact CD2-CH2 3.34Å; H210-W260 AromaticContact CD2-CZ2 3.91Å; H210-W260 AromaticContact CD2-CZ3 3.73Å; H210-W260 AromaticContact NE2-CH2 3.81Å; H210-W260 AromaticContact NE2-CZ2 3.89Å; H210-W282 AromaticContact CE1-CH2 3.63Å; H210-W282 AromaticContact CE1-CZ3 3.39Å; H210-W282 WeakPolarHBondContact CE1-CZ3 3.43Å; H210-W282 AromaticContact ND1-CH2 3.91Å; H210-W282 AromaticContact ND1-CZ3 3.7Å; H210-I285 HydrophobicContact CB-CG2 4.48Å
211F95.1Very high91.5Very high50 Ų5021 Ų2122%0.21912%0.12CC..Hα-helixtrans-57.7-49.3176.1174.4-111.1000111.5L174 A207 A208 M214 T215 W250 P253 V254 T257L174-F211 HydrophobicContact CD2-CD1 4.34Å; L174-F211 HydrophobicContact CD2-CE1 3.98Å; A207-F211 WeakPolarHBondContact O-CB 3.36Å; A207-F211 PolarHBondContact O-N 3.45Å; A208-F211 PolarHBondContact O-N 3.25Å; F211-M214 PolarHBondContact O-N 3.5Å; F211-T215 WeakPolarHBondContact CE2-OG1 3.33Å; F211-T215 VanDerWaalsContact O-CB 3.23Å; F211-T215 WeakPolarHBondContact O-CB 3.41Å; F211-T215 PolarHBondContact O-N 2.88Å; F211-T215 PolarHBondContact O-OG1 2.99Å; F211-W250 HydrophobicContact CZ-CE3 4.32Å; F211-W250 HydrophobicContact CZ-CZ3 4.39Å; F211-P253 HydrophobicContact CD2-CB 4.12Å; F211-P253 HydrophobicContact CE2-CB 3.9Å; F211-V254 HydrophobicContact CE2-CG2 3.59Å; F211-V254 HydrophobicContact CZ-CG2 4.14Å; F211-T257 HydrophobicContact CB-CG2 3.99Å
212A95.5Very high91.9Very high0 Ų017.5 Ų17.50%010%0.102CC..Hα-helixtrans-65.5-41.2-177.800000111.9L174 K175 A178 A208 S209 H210 T215 N216L174-A212 HydrophobicContact CD2-CB 4.24Å; L174-A212 HydrophobicContact CG-CB 3.86Å; K175-A212 HydrophobicContact CB-CB 4.46Å; A178-A212 HydrophobicContact CB-CB 3.65Å; A208-A212 WeakPolarHBondContact O-CB 3.37Å; A208-A212 PolarHBondContact O-N 3Å; S209-A212 PolarHBondContact O-N 2.81Å; H210-A212 PolarHBondContact O-N 2.94Å; A212-T215 PolarHBondContact O-N 3.42Å; A212-N216 WeakPolarHBondContact O-CB 3.19Å; A212-N216 PolarHBondContact O-N 3.25Å
213T91.7Very high92.2Very high30 Ų3017.3 Ų17.318%0.18410%0.101CC..Hα-helixtrans-63.2-48.2175.9-63.40000111.2S209 H210 T215 N216 F217 I289S209-T213 VanDerWaalsContact O-CB 3.28Å; S209-T213 WeakPolarHBondContact O-CB 3.36Å; S209-T213 PolarHBondContact O-N 3.35Å; S209-T213 PolarHBondContact O-OG1 3.34Å; H210-T213 PolarHBondContact O-N 2.89Å; T213-T215 VanDerWaalsContact C-N 3.34Å; T213-T215 PolarHBondContact O-N 2.83Å; T213-N216 WeakPolarHBondContact O-CB 3.33Å; T213-N216 PolarHBondContact O-N 3.5Å; T213-F217 HydrophobicContact CG2-CD2 3.87Å; T213-F217 HydrophobicContact CG2-CE2 3.72Å; T213-F217 VanDerWaalsContact O-CD2 3.27Å; T213-F217 WeakPolarHBondContact O-CD2 3.34Å; T213-F217 PolarHBondContact O-N 3.12Å; T213-I289 HydrophobicContact CG2-CD1 4.28Å
214M92.9Very high92.2Very high4 Ų416.5 Ų16.52%0.0210%0.097CC..Hα-helixtrans-66.4-37.9179.9-163.8-174.3-47.100112.4H210 F211 F217 S218 P253 F256 T257 I285 I289H210-M214 WeakPolarHBondContact O-CB 3.34Å; H210-M214 PolarHBondContact O-N 3.02Å; F211-M214 PolarHBondContact O-N 3.5Å; M214-F217 PolarHBondContact O-N 3.41Å; M214-S218 VanDerWaalsContact O-CB 3.32Å; M214-S218 WeakPolarHBondContact O-CB 3.43Å; M214-S218 PolarHBondContact O-N 3.43Å; M214-S218 PolarHBondContact O-OG 3.43Å; M214-P253 HydrophobicContact CB-CB 4.3Å; M214-P253 HydrophobicContact CG-CB 4.3Å; M214-P253 HydrophobicContact SD-CB 4.35Å; M214-F256 HydrophobicContact CE-CB 3.78Å; M214-F256 HydrophobicContact SD-CB 3.52Å; M214-F256 VanDerWaalsContact SD-CB 3.52Å; M214-F256 HydrophobicContact SD-CD2 4.07Å; M214-F256 HydrophobicContact SD-CG 4.22Å; M214-T257 WeakPolarHBondContact CE-OG1 3.33Å; M214-I285 HydrophobicContact CE-CB 4.29Å; M214-I285 HydrophobicContact CE-CD1 3.26Å; M214-I285 HydrophobicContact CE-CG1 4.33Å; M214-I285 HydrophobicContact CE-CG2 3.93Å; M214-I289 HydrophobicContact CG-CG1 4.36Å
215T95.2Very high92.3Very high0 Ų014.9 Ų14.90%09%0.088CC..Hα-helixtrans-62.8-43173.8-58.20000111.3T171 F211 A212 T213 S218 W219 W250 P253T171-T215 HydrophobicContact CG2-CG2 3.78Å; F211-T215 WeakPolarHBondContact CE2-OG1 3.33Å; F211-T215 VanDerWaalsContact O-CB 3.23Å; F211-T215 WeakPolarHBondContact O-CB 3.41Å; F211-T215 PolarHBondContact O-N 2.88Å; F211-T215 PolarHBondContact O-OG1 2.99Å; A212-T215 PolarHBondContact O-N 3.42Å; T213-T215 VanDerWaalsContact C-N 3.34Å; T213-T215 PolarHBondContact O-N 2.83Å; T215-S218 PolarHBondContact O-N 2.98Å; T215-W219 PolarHBondContact O-N 3.3Å; T215-W250 HydrophobicContact CG2-CD2 4.3Å; T215-W250 HydrophobicContact CG2-CE3 3.58Å; T215-W250 HydrophobicContact CG2-CH2 4.04Å; T215-W250 HydrophobicContact CG2-CZ3 3.46Å; T215-W250 VanDerWaalsContact CG2-CZ3 3.46Å; T215-P253 VanDerWaalsContact CA-CG 3.46Å; T215-P253 HydrophobicContact CG2-CG 4.44Å; T215-P253 WeakPolarHBondContact OG1-CB 3.22Å
216N94.1Very high92.2Very high0 Ų016.3 Ų16.30%09%0.093CC..Hα-helixtrans-60.3-48.6175.5-178.6-114.1000111.8T171 F172 K175 A212 T213 S218 W219 L220T171-N216 PolarHBondContact OG1-ND2 3.36Å; T171-N216 VanDerWaalsContact OG1-ND2 3.12Å; F172-N216 WeakPolarHBondContact CD1-ND2 3.45Å; F172-N216 VanDerWaalsContact CE1-ND2 3.35Å; F172-N216 WeakPolarHBondContact CE1-ND2 3.45Å; K175-N216 HydrophobicContact CD-CB 4.29Å; A212-N216 WeakPolarHBondContact O-CB 3.19Å; A212-N216 PolarHBondContact O-N 3.25Å; T213-N216 WeakPolarHBondContact O-CB 3.33Å; T213-N216 PolarHBondContact O-N 3.5Å; N216-S218 VanDerWaalsContact C-N 3.33Å; N216-S218 PolarHBondContact O-N 3.33Å; N216-W219 PolarHBondContact O-N 3.43Å; N216-L220 WeakPolarHBondContact O-CG 3.35Å; N216-L220 PolarHBondContact O-N 2.87Å
217F92Very high92Very high19 Ų1918.4 Ų18.48%0.08310%0.104CC..Hα-helixtrans-63.8-36176-78.9-67.5000113.2T213 M214 L220 L221 I289 S292 V293 Y342T213-F217 HydrophobicContact CG2-CD2 3.87Å; T213-F217 HydrophobicContact CG2-CE2 3.72Å; T213-F217 VanDerWaalsContact O-CD2 3.27Å; T213-F217 WeakPolarHBondContact O-CD2 3.34Å; T213-F217 PolarHBondContact O-N 3.12Å; M214-F217 PolarHBondContact O-N 3.41Å; F217-L220 HydrophobicContact CD1-CD1 4.32Å; F217-L220 PolarHBondContact O-N 2.94Å; F217-L221 PolarHBondContact O-N 2.94Å; F217-I289 HydrophobicContact CD2-CD1 4.49Å; F217-I289 HydrophobicContact CD2-CG1 4.23Å; F217-I289 HydrophobicContact CD2-CG2 3.68Å; F217-I289 HydrophobicContact CE2-CG2 3.7Å; F217-I289 HydrophobicContact CG-CG2 4.15Å; F217-I289 HydrophobicContact CZ-CG2 4.18Å; F217-S292 PolarHBondContact O-OG 3.48Å; F217-V293 HydrophobicContact CD1-CG2 3.61Å; F217-V293 HydrophobicContact CE1-CG2 3.5Å; F217-V293 HydrophobicContact CZ-CG2 4.36Å; F217-Y342 HydrophobicContact CZ-CD2 4.26Å; F217-Y342 HydrophobicContact CZ-CG 4.44Å
218S93.3Very high91.6Very high18 Ų1818.8 Ų18.813%0.12610%0.104CC..Hα-helixtrans-67.5-37.8177.5-620000111.8M214 T215 N216 L221 A222 G249 P253M214-S218 VanDerWaalsContact O-CB 3.32Å; M214-S218 WeakPolarHBondContact O-CB 3.43Å; M214-S218 PolarHBondContact O-N 3.43Å; M214-S218 PolarHBondContact O-OG 3.43Å; T215-S218 PolarHBondContact O-N 2.98Å; N216-S218 VanDerWaalsContact C-N 3.33Å; N216-S218 PolarHBondContact O-N 3.33Å; S218-L221 PolarHBondContact O-N 3.35Å; S218-A222 WeakPolarHBondContact O-CB 3.32Å; S218-A222 PolarHBondContact O-N 3.21Å; S218-G249 WeakPolarHBondContact CB-O 3.18Å; S218-P253 WeakPolarHBondContact OG-CG 3.32Å
219W94.5Very high91.2Very high0 Ų020.5 Ų20.50%011%0.113CC..Hα-helixtrans-74.4-31.8175.1-86.194.6000113.6V164 Q167 L168 T171 T215 N216 A222 E223 V246 G249 W250V164-W219 HydrophobicContact CG1-CZ3 4.44Å; Q167-W219 HydrophobicContact CB-CD2 3.96Å; Q167-W219 HydrophobicContact CB-CE3 3.63Å; Q167-W219 HydrophobicContact CB-CH2 3.45Å; Q167-W219 VanDerWaalsContact CB-CH2 3.45Å; Q167-W219 HydrophobicContact CB-CZ2 3.8Å; Q167-W219 HydrophobicContact CB-CZ3 3.35Å; Q167-W219 HydrophobicContact CG-CH2 3.56Å; Q167-W219 HydrophobicContact CG-CZ2 4.02Å; Q167-W219 HydrophobicContact CG-CZ3 3.9Å; L168-W219 HydrophobicContact CD1-CB 4.02Å; T171-W219 HydrophobicContact CG2-CB 3.82Å; T171-W219 HydrophobicContact CG2-CD2 4.48Å; T171-W219 HydrophobicContact CG2-CG 3.57Å; T215-W219 PolarHBondContact O-N 3.3Å; N216-W219 PolarHBondContact O-N 3.43Å; W219-A222 HydrophobicContact CE3-CB 4.22Å; W219-A222 PolarHBondContact O-N 3.27Å; W219-E223 PolarHBondContact O-N 2.91Å; W219-V246 HydrophobicContact CH2-CB 4.34Å; W219-V246 HydrophobicContact CH2-CG1 4.22Å; W219-V246 HydrophobicContact CH2-CG2 4.1Å; W219-V246 HydrophobicContact CZ2-CG1 4.36Å; W219-G249 PolarHBondContact NE1-O 2.93Å; W219-W250 AromaticContact CE2-CD1 3.8Å; W219-W250 AromaticContact CE2-CE2 3.94Å; W219-W250 AromaticContact CE2-NE1 3.48Å; W219-W250 AromaticContact CZ2-CD1 3.39Å; W219-W250 HydrophobicContact CZ2-CG 4.34Å; W219-W250 AromaticContact CZ2-NE1 3.17Å; W219-W250 AromaticContact NE1-CD1 3.61Å; W219-W250 AromaticContact NE1-CD2 3.65Å; W219-W250 AromaticContact NE1-CE2 3.37Å; W219-W250 AromaticContact NE1-CG 3.77Å; W219-W250 AromaticContact NE1-CZ2 3.9Å; W219-W250 AromaticContact NE1-NE1 3.35Å
220L91.5Very high90.8Very high0 Ų023 Ų230%012%0.124CC..Hα-helixtrans-62.6-44.9169.2-75.3173.1000111.6L168 F172 N216 F217 A222 E223 A224 L337L168-L220 HydrophobicContact CD1-CD2 3.7Å; L168-L220 HydrophobicContact CD1-CG 3.95Å; L168-L220 HydrophobicContact CD2-CD2 4.29Å; F172-L220 HydrophobicContact CZ-CD2 4.24Å; N216-L220 WeakPolarHBondContact O-CG 3.35Å; N216-L220 PolarHBondContact O-N 2.87Å; F217-L220 HydrophobicContact CD1-CD1 4.32Å; F217-L220 PolarHBondContact O-N 2.94Å; L220-A222 VanDerWaalsContact C-N 3.34Å; L220-E223 PolarHBondContact O-N 3.38Å; L220-A224 PolarHBondContact O-N 2.7Å; L220-L337 WeakPolarHBondContact CD2-O 3.4Å
221L91.4Very high90.3Very high38 Ų3823.9 Ų23.920%0.19913%0.13CC..Hα-helixtrans-63-43.1173.3177.464000111.2F217 S218 E223 A224 V225 S292 V295 N296 L299F217-L221 PolarHBondContact O-N 2.94Å; S218-L221 PolarHBondContact O-N 3.35Å; L221-E223 VanDerWaalsContact C-N 3.33Å; L221-E223 PolarHBondContact O-N 3.5Å; L221-A224 PolarHBondContact O-N 2.96Å; L221-V225 HydrophobicContact CD1-CG2 4.11Å; L221-V225 HydrophobicContact CG-CG2 4.33Å; L221-V225 WeakPolarHBondContact O-CG2 3.14Å; L221-V225 PolarHBondContact O-N 3.26Å; L221-S292 WeakPolarHBondContact CB-OG 3.03Å; L221-V295 HydrophobicContact CD1-CB 4.05Å; L221-V295 HydrophobicContact CD1-CG1 3.67Å; L221-N296 HydrophobicContact CD1-CB 4.49Å; L221-L299 HydrophobicContact CD1-CD1 3.91Å
222A91.9Very high89.6Confident4 Ų424.5 Ų24.53%0.03314%0.144CC..Hα-helixtrans-58.7-45.4178.200000111.7S218 W219 L220 V225 Y226 L245S218-A222 WeakPolarHBondContact O-CB 3.32Å; S218-A222 PolarHBondContact O-N 3.21Å; W219-A222 HydrophobicContact CE3-CB 4.22Å; W219-A222 PolarHBondContact O-N 3.27Å; L220-A222 VanDerWaalsContact C-N 3.34Å; A222-V225 PolarHBondContact O-N 3.48Å; A222-Y226 VanDerWaalsContact O-CB 3.32Å; A222-Y226 WeakPolarHBondContact O-CB 3.3Å; A222-Y226 PolarHBondContact O-N 3.35Å; A222-L245 HydrophobicContact CB-CD1 3.77Å; A222-L245 HydrophobicContact CB-CD2 4.2Å; A222-L245 HydrophobicContact CB-CG 3.78Å; A222-L245 WeakPolarHBondContact O-CD2 3.45Å
223E89.9Confident88.5Confident4 Ų428 Ų282%0.01917%0.169CC..Hα-helixtrans-59.6-46.6175-176.5-178.5-151.100111.8V164 H165 L168 W219 L220 L221 V225 Y226 L227 Y376V164-E223 HydrophobicContact CG1-CB 4.09Å; V164-E223 HydrophobicContact CG1-CG 4.31Å; H165-E223 IonicContact CE1-OE1 2.68Å; H165-E223 PolarHBondContact CE1-OE1 3.47Å; H165-E223 IonicContact ND1-OE1 3.2Å; H165-E223 PolarHBondContact ND1-OE1 3.43Å; L168-E223 WeakPolarHBondContact CD2-OE2 3.05Å; W219-E223 PolarHBondContact O-N 2.91Å; L220-E223 PolarHBondContact O-N 3.38Å; L221-E223 VanDerWaalsContact C-N 3.33Å; L221-E223 PolarHBondContact O-N 3.5Å; E223-V225 PolarHBondContact O-N 3.41Å; E223-Y226 PolarHBondContact O-N 3.43Å; E223-L227 WeakPolarHBondContact O-CB 3.45Å; E223-L227 PolarHBondContact O-N 3.47Å; E223-Y376 WeakPolarHBondContact OE1-CE2 2.99Å; E223-Y376 PolarHBondContact OE1-OH 2.88Å
224A88.2Confident87.1Confident0 Ų033.9 Ų33.90%021%0.205CC..Hα-helixtrans-62.4-43.6179.400000112.4L220 L221 L227 N228 N296 L299 F338L220-A224 PolarHBondContact O-N 2.7Å; L221-A224 PolarHBondContact O-N 2.96Å; A224-L227 PolarHBondContact O-N 2.86Å; A224-N228 WeakPolarHBondContact O-CB 3.47Å; A224-N228 PolarHBondContact O-N 3.41Å; A224-N296 WeakPolarHBondContact CB-OD1 3.42Å; A224-L299 HydrophobicContact CB-CB 4.35Å; A224-L299 HydrophobicContact CB-CD1 3.9Å; A224-F338 HydrophobicContact CB-CD1 4.05Å; A224-F338 HydrophobicContact CB-CE1 3.72Å
225V90.1Very high85.3Confident47 Ų4736.7 Ų36.729%0.28523%0.225SC..Hα-helixtrans-62.5-46.3174.9171.30000110.2L221 A222 E223 L227 N228 C229 L245 L299L221-V225 HydrophobicContact CD1-CG2 4.11Å; L221-V225 HydrophobicContact CG-CG2 4.33Å; L221-V225 WeakPolarHBondContact O-CG2 3.14Å; L221-V225 PolarHBondContact O-N 3.26Å; A222-V225 PolarHBondContact O-N 3.48Å; E223-V225 PolarHBondContact O-N 3.41Å; V225-L227 PolarHBondContact O-N 3.47Å; V225-N228 PolarHBondContact O-N 3.41Å; V225-C229 WeakPolarHBondContact O-CB 3.27Å; V225-C229 PolarHBondContact O-N 3.4Å; V225-C229 PolarHBondContact O-SG 2.98Å; V225-L245 HydrophobicContact CB-CD1 4.14Å; V225-L245 HydrophobicContact CG1-CD1 4.05Å; V225-L299 HydrophobicContact CB-CD1 4.48Å; V225-L299 HydrophobicContact CG2-CD1 3.56Å
226Y87.7Confident83.4Confident31 Ų3142.7 Ų42.712%0.12226%0.264CS..Hα-helixtrans-59.3-47.7178.6-178.9-103.5000112R161 V164 A222 E223 C229 L230 F242 L245R161-Y226 HydrophobicContact CB-CE1 4.11Å; R161-Y226 HydrophobicContact CG-CE1 4.44Å; V164-Y226 HydrophobicContact CG2-CD1 4.32Å; V164-Y226 HydrophobicContact CG2-CG 4.3Å; A222-Y226 VanDerWaalsContact O-CB 3.32Å; A222-Y226 WeakPolarHBondContact O-CB 3.3Å; A222-Y226 PolarHBondContact O-N 3.35Å; E223-Y226 PolarHBondContact O-N 3.43Å; Y226-C229 PolarHBondContact O-N 3.46Å; Y226-L230 WeakPolarHBondContact O-CB 3.42Å; Y226-L230 PolarHBondContact O-N 3.49Å; Y226-F242 HydrophobicContact CE2-CD2 4.28Å; Y226-L245 HydrophobicContact CD2-CD2 4.3Å; Y226-L245 HydrophobicContact CG-CD2 4.42Å
227L85.6Confident81.8Confident44 Ų4446.7 Ų46.723%0.2329%0.292CS..Hα-helixtrans-63.1-43.9178-178.162.3000111.4E223 A224 V225 L230 L231 I303 F338E223-L227 WeakPolarHBondContact O-CB 3.45Å; E223-L227 PolarHBondContact O-N 3.47Å; A224-L227 PolarHBondContact O-N 2.86Å; V225-L227 PolarHBondContact O-N 3.47Å; L227-L230 PolarHBondContact O-N 3.41Å; L227-L231 HydrophobicContact CD1-CD1 4.22Å; L227-L231 HydrophobicContact CD1-CG 4.38Å; L227-L231 HydrophobicContact CG-CD1 4.07Å; L227-L231 WeakPolarHBondContact O-CB 3.23Å; L227-L231 WeakPolarHBondContact O-CG 3.33Å; L227-L231 PolarHBondContact O-N 2.85Å; L227-I303 HydrophobicContact CD2-CD1 3.95Å; L227-I303 HydrophobicContact CG-CD1 4.23Å; L227-F338 HydrophobicContact CD2-CZ 4.44Å
228N84.7Confident80.6Confident26 Ų2648.7 Ų48.714%0.13931%0.308CS..Hα-helixtrans-62.7-43.4177.3-174.366.2000111.7A224 V225 L230 L231 A232 L299 N302 I303A224-N228 WeakPolarHBondContact O-CB 3.47Å; A224-N228 PolarHBondContact O-N 3.41Å; V225-N228 PolarHBondContact O-N 3.41Å; N228-L230 PolarHBondContact O-N 2.99Å; N228-L231 PolarHBondContact O-N 3.01Å; N228-A232 VanDerWaalsContact O-CB 3.25Å; N228-A232 WeakPolarHBondContact O-CB 3.28Å; N228-A232 PolarHBondContact O-N 2.86Å; N228-L299 HydrophobicContact CB-CD2 4.11Å; N228-N302 PolarHBondContact OD1-ND2 2.95Å; N228-I303 HydrophobicContact CB-CD1 4.47Å; N228-I303 HydrophobicContact CB-CG1 4.36Å
229C85.2Confident79.8Confident65 Ų6557.3 Ų57.344%0.43934%0.338SS..Hα-helixtrans-60.8-43.7174.6-72.80000112.1V225 Y226 L231 A232 S233V225-C229 WeakPolarHBondContact O-CB 3.27Å; V225-C229 PolarHBondContact O-N 3.4Å; V225-C229 PolarHBondContact O-SG 2.98Å; Y226-C229 PolarHBondContact O-N 3.46Å; C229-L231 VanDerWaalsContact C-N 3.33Å; C229-L231 PolarHBondContact O-N 2.86Å; C229-A232 PolarHBondContact O-N 3.19Å; C229-S233 PolarHBondContact O-N 2.85Å
230L83.5Confident79.2Confident71 Ų7166.7 Ų66.737%0.37237%0.373SS..Hα-helixtrans-63.9-37.8178.1-177.166.8000112.1Y226 L227 N228Y226-L230 WeakPolarHBondContact O-CB 3.42Å; Y226-L230 PolarHBondContact O-N 3.49Å; L227-L230 PolarHBondContact O-N 3.41Å; N228-L230 PolarHBondContact O-N 2.99Å
231L83.3Confident78.7Confident50 Ų5069.2 Ų69.226%0.26240%0.395SS..Hα-helixtrans-76.4-32.2-179.4-73.2173.1000113.4L227 N228 C229 I303 I306 K310L227-L231 HydrophobicContact CD1-CD1 4.22Å; L227-L231 HydrophobicContact CD1-CG 4.38Å; L227-L231 HydrophobicContact CG-CD1 4.07Å; L227-L231 WeakPolarHBondContact O-CB 3.23Å; L227-L231 WeakPolarHBondContact O-CG 3.33Å; L227-L231 PolarHBondContact O-N 2.85Å; N228-L231 PolarHBondContact O-N 3.01Å; C229-L231 VanDerWaalsContact C-N 3.33Å; C229-L231 PolarHBondContact O-N 2.86Å; L231-I303 HydrophobicContact CD1-CB 4.44Å; L231-I303 HydrophobicContact CD1-CG1 4.17Å; L231-I303 HydrophobicContact CD1-CG2 3.84Å; L231-I306 HydrophobicContact CB-CD1 4.47Å; L231-I306 HydrophobicContact CB-CG2 4.31Å; L231-K310 PolarHBondContact O-NZ 2.75Å; L231-K310 VanDerWaalsContact O-NZ 3.15Å
232A80.4Confident78.3Confident63 Ų6368.8 Ų68.852%0.52139%0.391SS..Hα-helixtrans-87.9-34.4-176.900000113.7N228 C229N228-A232 VanDerWaalsContact O-CB 3.25Å; N228-A232 WeakPolarHBondContact O-CB 3.28Å; N228-A232 PolarHBondContact O-N 2.86Å; C229-A232 PolarHBondContact O-N 3.19Å
233S71Confident78.1Confident74 Ų7475.9 Ų75.952%0.51742%0.417SS..  trans-131.2124.8-168.7-67.50000112.3C229 S235C229-S233 PolarHBondContact O-N 2.85Å; S233-S235 VanDerWaalsContact C-N 3.25Å; S233-S235 PolarHBondContact O-N 2.95Å
234T63Low78Confident153 Ų15383.7 Ų83.794%0.93945%0.447SS*.  trans-87.217.4173.752.60000113.3
235S55.9Low78.1Confident63 Ų6384.9 Ų84.944%0.44145%0.453SS..  trans-92.8141.7-163.5-175.50000114.2S233 S237S233-S235 VanDerWaalsContact C-N 3.25Å; S233-S235 PolarHBondContact O-N 2.95Å; S235-S237 PolarHBondContact O-N 3.17Å
236P53.7Low78.2Confident126 Ų12683.4 Ų83.482%0.81844%0.444SS*.THydrogen-bonded Turntrans-65.7-2.4-179.624.2-34.2000116.2S238P236-S238 PolarHBondContact O-N 3.43Å; P236-S238 VanDerWaalsContact O-N 3.12Å
237S60.7Low78.4Confident85 Ų8587 Ų8759%0.59447%0.465SS*.THydrogen-bonded Turntrans-67.9-5.1174.761.30000114.3S235 R239 R240S235-S237 PolarHBondContact O-N 3.17Å; S237-R239 VanDerWaalsContact C-N 3.3Å; S237-R239 PolarHBondContact O-N 3.25Å; S237-R240 PolarHBondContact O-N 3.47Å
238S68.2Low78.7Confident60 Ų6086.7 Ų86.742%0.4247%0.469SS..Hα-helixtrans-55-35.2-176.6-177.40000114.4P236 R240 A241 F242P236-S238 PolarHBondContact O-N 3.43Å; P236-S238 VanDerWaalsContact O-N 3.12Å; S238-R240 PolarHBondContact O-N 2.88Å; S238-A241 PolarHBondContact O-N 3.22Å; S238-F242 VanDerWaalsContact O-CB 3.28Å; S238-F242 WeakPolarHBondContact O-CB 3.32Å; S238-F242 PolarHBondContact O-N 3.28Å
239R75.1Confident79.1Confident199 Ų19985.6 Ų85.675%0.75146%0.463SS*.Hα-helixtrans-66.8-37.5-174.9-168.2175-176.9-172-0.3113.7S237 W243S237-R239 VanDerWaalsContact C-N 3.3Å; S237-R239 PolarHBondContact O-N 3.25Å; R239-W243 VanDerWaalsContact O-CD1 3.26Å; R239-W243 PolarHBondContact O-N 3.3Å
240R81.6Confident79.5Confident197 Ų19786 Ų8674%0.74346%0.456SS*.Hα-helixtrans-73.8-42.8177.1-170.6-177.1-64.9170.70.6110.7S237 S238 F242 W243 W244S237-R240 PolarHBondContact O-N 3.47Å; S238-R240 PolarHBondContact O-N 2.88Å; R240-F242 VanDerWaalsContact C-N 3.26Å; R240-F242 PolarHBondContact O-N 3.14Å; R240-W243 PolarHBondContact O-N 3.29Å; R240-W244 VanDerWaalsContact O-CD1 3.23Å; R240-W244 PolarHBondContact O-N 3.49Å
241A80.6Confident80.1Confident54 Ų5484.2 Ų84.245%0.44645%0.454SS..Hα-helixtrans-59.1-39.1175.600000111.8S238 W243 W244 L245S238-A241 PolarHBondContact O-N 3.22Å; A241-W243 PolarHBondContact O-N 3.48Å; A241-W244 PolarHBondContact O-N 3.21Å; A241-L245 WeakPolarHBondContact O-CB 3.38Å; A241-L245 PolarHBondContact O-N 3.29Å
242F84.1Confident80.6Confident29 Ų2985.5 Ų85.513%0.12746%0.461CS..Hα-helixtrans-58.2-47.2175.4172.4-95.2000112.8P160 Y163 V164 Y226 S238 R240 W244 L245 V246P160-F242 HydrophobicContact CB-CD2 4.48Å; P160-F242 HydrophobicContact CB-CE2 4.24Å; Y163-F242 HydrophobicContact CD1-CE2 4.06Å; Y163-F242 AromaticContact CD1-CZ 3.46Å; Y163-F242 HydrophobicContact CD1-CZ 3.46Å; Y163-F242 VanDerWaalsContact CD1-CZ 3.46Å; Y163-F242 AromaticContact CE1-CZ 3.83Å; Y163-F242 HydrophobicContact CE1-CZ 3.83Å; Y163-F242 HydrophobicContact CG-CZ 4.27Å; V164-F242 HydrophobicContact CG2-CD2 4.46Å; V164-F242 HydrophobicContact CG2-CE2 3.91Å; Y226-F242 HydrophobicContact CE2-CD2 4.28Å; S238-F242 VanDerWaalsContact O-CB 3.28Å; S238-F242 WeakPolarHBondContact O-CB 3.32Å; S238-F242 PolarHBondContact O-N 3.28Å; R240-F242 VanDerWaalsContact C-N 3.26Å; R240-F242 PolarHBondContact O-N 3.14Å; F242-W244 PolarHBondContact O-N 3.38Å; F242-L245 WeakPolarHBondContact O-CB 3.47Å; F242-L245 PolarHBondContact O-N 3.26Å; F242-V246 HydrophobicContact CD1-CG2 4.41Å; F242-V246 HydrophobicContact CE1-CG2 4.05Å; F242-V246 HydrophobicContact CE2-CG2 4.27Å; F242-V246 HydrophobicContact CZ-CG2 3.99Å; F242-V246 WeakPolarHBondContact O-CG2 3.46Å; F242-V246 PolarHBondContact O-N 2.96Å
243W86.6Confident81.3Confident152 Ų15282.5 Ų82.558%0.57644%0.436SS*.Hα-helixtrans-66.8-37.4178.6-77.6110.5000113.1R239 R240 A241 L245 V246 L247R239-W243 VanDerWaalsContact O-CD1 3.26Å; R239-W243 PolarHBondContact O-N 3.3Å; R240-W243 PolarHBondContact O-N 3.29Å; A241-W243 PolarHBondContact O-N 3.48Å; W243-L245 VanDerWaalsContact C-N 3.3Å; W243-L245 PolarHBondContact O-N 3.26Å; W243-V246 PolarHBondContact O-N 3.45Å; W243-L247 WeakPolarHBondContact O-CB 3.39Å; W243-L247 PolarHBondContact O-N 2.91Å
244W89.4Confident82.5Confident168 Ų16883 Ų8364%0.63644%0.436SS*.Hα-helixtrans-62.9-37.8172.6-77.2116.5000112.4R240 A241 F242 L247 A248R240-W244 VanDerWaalsContact O-CD1 3.23Å; R240-W244 PolarHBondContact O-N 3.49Å; A241-W244 PolarHBondContact O-N 3.21Å; F242-W244 PolarHBondContact O-N 3.38Å; W244-L247 HydrophobicContact CE3-CD2 3.92Å; W244-L247 HydrophobicContact CZ3-CD2 3.77Å; W244-L247 PolarHBondContact O-N 3.3Å; W244-A248 WeakPolarHBondContact O-CB 3.36Å; W244-A248 PolarHBondContact O-N 2.94Å
245L90.4Very high84Confident25 Ų2580.8 Ų80.813%0.13142%0.418CS..Hα-helixtrans-65.5-44.7176.6-171.772.3000112A222 V225 Y226 A241 F242 W243 L247 A248 G249A222-L245 HydrophobicContact CB-CD1 3.77Å; A222-L245 HydrophobicContact CB-CD2 4.2Å; A222-L245 HydrophobicContact CB-CG 3.78Å; A222-L245 WeakPolarHBondContact O-CD2 3.45Å; V225-L245 HydrophobicContact CB-CD1 4.14Å; V225-L245 HydrophobicContact CG1-CD1 4.05Å; Y226-L245 HydrophobicContact CD2-CD2 4.3Å; Y226-L245 HydrophobicContact CG-CD2 4.42Å; A241-L245 WeakPolarHBondContact O-CB 3.38Å; A241-L245 PolarHBondContact O-N 3.29Å; F242-L245 WeakPolarHBondContact O-CB 3.47Å; F242-L245 PolarHBondContact O-N 3.26Å; W243-L245 VanDerWaalsContact C-N 3.3Å; W243-L245 PolarHBondContact O-N 3.26Å; L245-L247 VanDerWaalsContact C-N 3.34Å; L245-A248 PolarHBondContact O-N 3.43Å; L245-G249 PolarHBondContact O-N 2.95Å
246V90.7Very high85.9Confident17 Ų1780.9 Ų80.910%0.10341%0.41CS..Hα-helixtrans-62.4-42.8175.7175.10000110.7Y163 W219 F242 W243 G249 W250Y163-V246 HydrophobicContact CE1-CG2 4.21Å; W219-V246 HydrophobicContact CH2-CB 4.34Å; W219-V246 HydrophobicContact CH2-CG1 4.22Å; W219-V246 HydrophobicContact CH2-CG2 4.1Å; W219-V246 HydrophobicContact CZ2-CG1 4.36Å; F242-V246 HydrophobicContact CD1-CG2 4.41Å; F242-V246 HydrophobicContact CE1-CG2 4.05Å; F242-V246 HydrophobicContact CE2-CG2 4.27Å; F242-V246 HydrophobicContact CZ-CG2 3.99Å; F242-V246 WeakPolarHBondContact O-CG2 3.46Å; F242-V246 PolarHBondContact O-N 2.96Å; W243-V246 PolarHBondContact O-N 3.45Å; V246-G249 PolarHBondContact O-N 3.46Å; V246-W250 PolarHBondContact O-N 2.93Å
247L92.3Very high87.7Confident105 Ų10575.3 Ų75.355%0.5537%0.374SS..Hα-helixtrans-63.3-41.4176.3-175.765.6000111.5W243 W244 L245 G251W243-L247 WeakPolarHBondContact O-CB 3.39Å; W243-L247 PolarHBondContact O-N 2.91Å; W244-L247 HydrophobicContact CE3-CD2 3.92Å; W244-L247 HydrophobicContact CZ3-CD2 3.77Å; W244-L247 PolarHBondContact O-N 3.3Å; L245-L247 VanDerWaalsContact C-N 3.34Å; L247-G251 VanDerWaalsContact O-CA 3.25Å; L247-G251 WeakPolarHBondContact O-CA 3.34Å; L247-G251 PolarHBondContact O-N 3.39Å
248A92.5Very high89.3Confident39 Ų3972.8 Ų72.832%0.32236%0.361SS..Hα-helixtrans-66.8-40.1176.400000112.3W244 L245 W250 L252W244-A248 WeakPolarHBondContact O-CB 3.36Å; W244-A248 PolarHBondContact O-N 2.94Å; L245-A248 PolarHBondContact O-N 3.43Å; A248-W250 VanDerWaalsContact C-N 3.33Å; A248-W250 PolarHBondContact O-N 2.94Å; A248-L252 HydrophobicContact CB-CD1 4.21Å; A248-L252 WeakPolarHBondContact O-CB 3.5Å; A248-L252 WeakPolarHBondContact O-CG 3.2Å; A248-L252 PolarHBondContact O-N 3.31Å; A248-L252 VanDerWaalsContact O-N 3.13Å
249G93Very high90.5Very high2 Ų273 Ų732%0.02136%0.361CS..Hα-helixtrans-61.2-34.9-177.900000114.3S218 W219 L245 V246 P253S218-G249 WeakPolarHBondContact CB-O 3.18Å; W219-G249 PolarHBondContact NE1-O 2.93Å; L245-G249 PolarHBondContact O-N 2.95Å; V246-G249 PolarHBondContact O-N 3.46Å; G249-P253 WeakPolarHBondContact O-CD 3.43Å; G249-P253 WeakPolarHBondContact O-CG 3.25Å
250W94.4Very high91.4Very high74 Ų7463.8 Ų63.828%0.2833%0.326SS..Hα-helixtrans-99.8-36.5174.6-70107.3000113.3T171 L174 F211 T215 W219 V246 A248 P253 V254T171-W250 HydrophobicContact CG2-CH2 4.36Å; T171-W250 HydrophobicContact CG2-CZ2 4.46Å; L174-W250 HydrophobicContact CD2-CH2 4.49Å; L174-W250 HydrophobicContact CD2-CZ3 4.21Å; F211-W250 HydrophobicContact CZ-CE3 4.32Å; F211-W250 HydrophobicContact CZ-CZ3 4.39Å; T215-W250 HydrophobicContact CG2-CD2 4.3Å; T215-W250 HydrophobicContact CG2-CE3 3.58Å; T215-W250 HydrophobicContact CG2-CH2 4.04Å; T215-W250 HydrophobicContact CG2-CZ3 3.46Å; T215-W250 VanDerWaalsContact CG2-CZ3 3.46Å; W219-W250 AromaticContact CE2-CD1 3.8Å; W219-W250 AromaticContact CE2-CE2 3.94Å; W219-W250 AromaticContact CE2-NE1 3.48Å; W219-W250 AromaticContact CZ2-CD1 3.39Å; W219-W250 HydrophobicContact CZ2-CG 4.34Å; W219-W250 AromaticContact CZ2-NE1 3.17Å; W219-W250 AromaticContact NE1-CD1 3.61Å; W219-W250 AromaticContact NE1-CD2 3.65Å; W219-W250 AromaticContact NE1-CE2 3.37Å; W219-W250 AromaticContact NE1-CG 3.77Å; W219-W250 AromaticContact NE1-CZ2 3.9Å; W219-W250 AromaticContact NE1-NE1 3.35Å; V246-W250 PolarHBondContact O-N 2.93Å; A248-W250 VanDerWaalsContact C-N 3.33Å; A248-W250 PolarHBondContact O-N 2.94Å; W250-P253 WeakPolarHBondContact O-CD 3.42Å; W250-V254 WeakPolarHBondContact O-CG2 3.16Å; W250-V254 PolarHBondContact O-N 3.43Å
251G94.3Very high91.8Very high33 Ų3356 Ų5634%0.3430%0.3SS..Hα-helixtrans-71.8-40.4-172.800000113.9L247 V254 L255L247-G251 VanDerWaalsContact O-CA 3.25Å; L247-G251 WeakPolarHBondContact O-CA 3.34Å; L247-G251 PolarHBondContact O-N 3.39Å; G251-V254 PolarHBondContact O-N 2.88Å; G251-L255 WeakPolarHBondContact O-CB 3.23Å; G251-L255 PolarHBondContact O-N 3.49Å
252L93.7Very high92.3Very high77 Ų7756.9 Ų56.940%0.40330%0.303SS..Hα-helixtrans-62.5-47.1177.3-67.5173.6000111.7A248 V254 L255 F256A248-L252 HydrophobicContact CB-CD1 4.21Å; A248-L252 WeakPolarHBondContact O-CB 3.5Å; A248-L252 WeakPolarHBondContact O-CG 3.2Å; A248-L252 PolarHBondContact O-N 3.31Å; A248-L252 VanDerWaalsContact O-N 3.13Å; L252-V254 PolarHBondContact O-N 3.28Å; L252-L255 PolarHBondContact O-N 3.04Å; L252-F256 HydrophobicContact CB-CD2 4.41Å; L252-F256 HydrophobicContact CB-CE2 4.29Å; L252-F256 HydrophobicContact CD2-CE2 4.17Å; L252-F256 WeakPolarHBondContact O-CD2 3.33Å; L252-F256 PolarHBondContact O-N 3.03Å
253P95.7Very high92.6Very high0 Ų056.7 Ų56.70%031%0.305CS..Hα-helixtrans-55.8-44.4173.2-26.330.8000115F211 M214 T215 S218 G249 W250 L255 T257F211-P253 HydrophobicContact CD2-CB 4.12Å; F211-P253 HydrophobicContact CE2-CB 3.9Å; M214-P253 HydrophobicContact CB-CB 4.3Å; M214-P253 HydrophobicContact CG-CB 4.3Å; M214-P253 HydrophobicContact SD-CB 4.35Å; T215-P253 VanDerWaalsContact CA-CG 3.46Å; T215-P253 HydrophobicContact CG2-CG 4.44Å; T215-P253 WeakPolarHBondContact OG1-CB 3.22Å; S218-P253 WeakPolarHBondContact OG-CG 3.32Å; G249-P253 WeakPolarHBondContact O-CD 3.43Å; G249-P253 WeakPolarHBondContact O-CG 3.25Å; W250-P253 WeakPolarHBondContact O-CD 3.42Å; P253-L255 VanDerWaalsContact C-N 3.35Å; P253-T257 WeakPolarHBondContact O-CB 3.45Å; P253-T257 PolarHBondContact O-N 3.2Å; P253-T257 PolarHBondContact O-OG1 3.04Å
254V95.6Very high92.6Very high86 Ų8649.9 Ų49.952%0.52128%0.279SS..Hα-helixtrans-62.8-44.2178.1171.80000110.6F211 W250 G251 L252 G258F211-V254 HydrophobicContact CE2-CG2 3.59Å; F211-V254 HydrophobicContact CZ-CG2 4.14Å; W250-V254 WeakPolarHBondContact O-CG2 3.16Å; W250-V254 PolarHBondContact O-N 3.43Å; G251-V254 PolarHBondContact O-N 2.88Å; L252-V254 PolarHBondContact O-N 3.28Å; V254-G258 WeakPolarHBondContact O-CA 3.42Å; V254-G258 PolarHBondContact O-N 3.24Å
255L95.2Very high92.5Very high105 Ų10546.4 Ų46.455%0.5527%0.273SS..Hα-helixtrans-59.7-59179.7-175.286.3000111.1G251 L252 P253 G258 T259G251-L255 WeakPolarHBondContact O-CB 3.23Å; G251-L255 PolarHBondContact O-N 3.49Å; L252-L255 PolarHBondContact O-N 3.04Å; P253-L255 VanDerWaalsContact C-N 3.35Å; L255-G258 PolarHBondContact O-N 2.91Å; L255-T259 WeakPolarHBondContact O-CB 3.33Å; L255-T259 PolarHBondContact O-N 3.45Å; L255-T259 PolarHBondContact O-OG1 3.27Å
256F95.1Very high92.2Very high65 Ų6548.7 Ų48.729%0.28530%0.295SS..Hα-helixtrans-67.7-40.8-175.1-70.1-65.1000112.4M214 L252 T259 W260 P288M214-F256 HydrophobicContact CE-CB 3.78Å; M214-F256 HydrophobicContact SD-CB 3.52Å; M214-F256 VanDerWaalsContact SD-CB 3.52Å; M214-F256 HydrophobicContact SD-CD2 4.07Å; M214-F256 HydrophobicContact SD-CG 4.22Å; L252-F256 HydrophobicContact CB-CD2 4.41Å; L252-F256 HydrophobicContact CB-CE2 4.29Å; L252-F256 HydrophobicContact CD2-CE2 4.17Å; L252-F256 WeakPolarHBondContact O-CD2 3.33Å; L252-F256 PolarHBondContact O-N 3.03Å; F256-T259 PolarHBondContact O-N 3.44Å; F256-W260 WeakPolarHBondContact O-CB 3.23Å; F256-W260 PolarHBondContact O-N 2.86Å; F256-P288 HydrophobicContact CD1-CG 3.68Å; F256-P288 HydrophobicContact CD2-CB 4Å; F256-P288 HydrophobicContact CD2-CG 3.91Å; F256-P288 HydrophobicContact CE1-CG 3.72Å; F256-P288 HydrophobicContact CE2-CB 4Å; F256-P288 HydrophobicContact CE2-CG 3.95Å; F256-P288 HydrophobicContact CG-CB 4.35Å; F256-P288 HydrophobicContact CG-CG 3.8Å; F256-P288 HydrophobicContact CZ-CB 4.32Å; F256-P288 HydrophobicContact CZ-CG 3.86Å
257T93.4Very high91.8Very high9 Ų954.3 Ų54.36%0.05532%0.319CS..Hα-helixtrans-67.9-41177.5-460000110.9H210 F211 M214 P253 T259 W260 V261H210-T257 HydrophobicContact CB-CG2 4.48Å; F211-T257 HydrophobicContact CB-CG2 3.99Å; M214-T257 WeakPolarHBondContact CE-OG1 3.33Å; P253-T257 WeakPolarHBondContact O-CB 3.45Å; P253-T257 PolarHBondContact O-N 3.2Å; P253-T257 PolarHBondContact O-OG1 3.04Å; T257-T259 PolarHBondContact O-N 3.39Å; T257-W260 PolarHBondContact O-N 2.87Å; T257-V261 HydrophobicContact CG2-CG2 4.37Å; T257-V261 WeakPolarHBondContact O-CB 3.28Å; T257-V261 VanDerWaalsContact O-CG2 3.31Å; T257-V261 WeakPolarHBondContact O-CG2 3.4Å; T257-V261 PolarHBondContact O-N 3.43Å
258G93.5Very high91Very high32 Ų3251.8 Ų51.833%0.3330%0.304SS..Hα-helixtrans-62.7-41.5175.700000112.6V254 L255 S262V254-G258 WeakPolarHBondContact O-CA 3.42Å; V254-G258 PolarHBondContact O-N 3.24Å; L255-G258 PolarHBondContact O-N 2.91Å; G258-S262 WeakPolarHBondContact O-CB 3.39Å; G258-S262 PolarHBondContact O-N 2.9Å; G258-S262 PolarHBondContact O-OG 3.29Å
259T93.1Very high90.2Very high66 Ų6651.7 Ų51.741%0.40530%0.298SS..Hα-helixtrans-61.9-46.3173.1-60.30000111.3L255 F256 T257 S262 C263 I284L255-T259 WeakPolarHBondContact O-CB 3.33Å; L255-T259 PolarHBondContact O-N 3.45Å; L255-T259 PolarHBondContact O-OG1 3.27Å; F256-T259 PolarHBondContact O-N 3.44Å; T257-T259 PolarHBondContact O-N 3.39Å; T259-S262 PolarHBondContact O-N 2.87Å; T259-C263 PolarHBondContact O-N 3.45Å; T259-C263 PolarHBondContact O-SG 3.13Å; T259-C263 VanDerWaalsContact O-SG 3.36Å; T259-I284 HydrophobicContact CG2-CG2 4.36Å
260W93.2Very high88.9Confident4 Ų457.2 Ų57.22%0.01533%0.326CS..Hα-helixtrans-61.3-47.5178.2177.281.7000112.5V206 A207 H210 F256 T257 S262 C263 K264 W273 Y281 I284 I285V206-W260 HydrophobicContact CG1-CH2 4.08Å; A207-W260 HydrophobicContact CB-CZ3 4.42Å; H210-W260 AromaticContact CD2-CH2 3.48Å; H210-W260 VanDerWaalsContact CD2-CH2 3.48Å; H210-W260 WeakPolarHBondContact CD2-CH2 3.34Å; H210-W260 AromaticContact CD2-CZ2 3.91Å; H210-W260 AromaticContact CD2-CZ3 3.73Å; H210-W260 AromaticContact NE2-CH2 3.81Å; H210-W260 AromaticContact NE2-CZ2 3.89Å; F256-W260 WeakPolarHBondContact O-CB 3.23Å; F256-W260 PolarHBondContact O-N 2.86Å; T257-W260 PolarHBondContact O-N 2.87Å; W260-S262 VanDerWaalsContact C-N 3.28Å; W260-S262 PolarHBondContact O-N 3.49Å; W260-C263 PolarHBondContact O-N 2.87Å; W260-K264 HydrophobicContact CD2-CG 4.23Å; W260-K264 HydrophobicContact CH2-CG 4.35Å; W260-K264 HydrophobicContact CZ2-CD 4.47Å; W260-K264 HydrophobicContact CZ2-CG 3.88Å; W260-K264 PolarHBondContact O-N 2.8Å; W260-W273 HydrophobicContact CH2-CB 3.79Å; W260-W273 HydrophobicContact CH2-CD2 4.22Å; W260-W273 AromaticContact CH2-CE3 3.73Å; W260-W273 HydrophobicContact CH2-CE3 3.73Å; W260-W273 HydrophobicContact CH2-CG 4.31Å; W260-W273 HydrophobicContact CZ2-CB 4.22Å; W260-W273 AromaticContact CZ3-CE3 3.67Å; W260-W273 HydrophobicContact CZ3-CE3 3.67Å; W260-W273 HydrophobicContact CZ3-CZ3 4.18Å; W260-Y281 VanDerWaalsContact CD1-O 3.31Å; W260-I284 HydrophobicContact CB-CB 4.36Å; W260-I284 HydrophobicContact CB-CG2 3.95Å; W260-I285 HydrophobicContact CB-CD1 3.56Å; W260-I285 HydrophobicContact CB-CG1 3.86Å; W260-I285 HydrophobicContact CD2-CD1 4.17Å; W260-I285 HydrophobicContact CD2-CG1 3.94Å; W260-I285 HydrophobicContact CG-CD1 3.72Å; W260-I285 HydrophobicContact CG-CG1 3.51Å
261V91.7Very high87.7Confident34 Ų3454.8 Ų54.821%0.20632%0.321CS..Hα-helixtrans-57.7-43.3175.1168.80000110.7A207 T257 K264 L265 W273A207-V261 HydrophobicContact CB-CG2 3.98Å; T257-V261 HydrophobicContact CG2-CG2 4.37Å; T257-V261 WeakPolarHBondContact O-CB 3.28Å; T257-V261 VanDerWaalsContact O-CG2 3.31Å; T257-V261 WeakPolarHBondContact O-CG2 3.4Å; T257-V261 PolarHBondContact O-N 3.43Å; V261-K264 PolarHBondContact O-N 2.88Å; V261-L265 HydrophobicContact CG1-CD1 3.79Å; V261-L265 HydrophobicContact CG1-CG 4.38Å; V261-L265 WeakPolarHBondContact O-CB 3.4Å; V261-L265 VanDerWaalsContact O-CG 3.31Å; V261-L265 WeakPolarHBondContact O-CG 3.41Å; V261-L265 PolarHBondContact O-N 3.42Å; V261-W273 HydrophobicContact CB-CZ3 4.46Å; V261-W273 HydrophobicContact CG1-CH2 3.93Å; V261-W273 HydrophobicContact CG1-CZ3 4.11Å; V261-W273 HydrophobicContact CG2-CZ3 4.09Å
262S90.8Very high86.8Confident73 Ų7353.8 Ų53.851%0.5131%0.309SS..Hα-helixtrans-64.7-41178.8-55.90000112G258 T259 W260 A266G258-S262 WeakPolarHBondContact O-CB 3.39Å; G258-S262 PolarHBondContact O-N 2.9Å; G258-S262 PolarHBondContact O-OG 3.29Å; T259-S262 PolarHBondContact O-N 2.87Å; W260-S262 VanDerWaalsContact C-N 3.28Å; W260-S262 PolarHBondContact O-N 3.49Å; S262-A266 VanDerWaalsContact O-CB 3.26Å; S262-A266 WeakPolarHBondContact O-CB 3.34Å; S262-A266 PolarHBondContact O-N 3.3Å
263C89.8Confident86.1Confident25 Ų2551.1 Ų51.117%0.16929%0.294CS..Hα-helixtrans-64.8-45.1175.2-70.60000111.7T259 W260 A266 F267 Y281 I284T259-C263 PolarHBondContact O-N 3.45Å; T259-C263 PolarHBondContact O-SG 3.13Å; T259-C263 VanDerWaalsContact O-SG 3.36Å; W260-C263 PolarHBondContact O-N 2.87Å; C263-A266 PolarHBondContact O-N 3.48Å; C263-F267 HydrophobicContact CB-CD2 4.49Å; C263-F267 WeakPolarHBondContact O-CD2 3.43Å; C263-F267 PolarHBondContact O-N 3.36Å; C263-Y281 HydrophobicContact CB-CD1 3.85Å; C263-Y281 HydrophobicContact CB-CE1 4.21Å; C263-Y281 HydrophobicContact CB-CG 4.3Å; C263-I284 HydrophobicContact CB-CD1 4.36Å
264K86.8Confident85.1Confident8 Ų854 Ų544%0.03531%0.309CS..Hα-helixtrans-61.4-45.6177.4-79-66.3-168.4178.60111.8W260 V261 A266 E268 D269 W273W260-K264 HydrophobicContact CD2-CG 4.23Å; W260-K264 HydrophobicContact CH2-CG 4.35Å; W260-K264 HydrophobicContact CZ2-CD 4.47Å; W260-K264 HydrophobicContact CZ2-CG 3.88Å; W260-K264 PolarHBondContact O-N 2.8Å; V261-K264 PolarHBondContact O-N 2.88Å; K264-A266 VanDerWaalsContact C-N 3.3Å; K264-A266 PolarHBondContact O-N 3.23Å; K264-E268 HydrophobicContact CD-CB 4.11Å; K264-E268 IonicContact NZ-OE2 3.47Å; K264-E268 PolarHBondContact NZ-OE2 3.35Å; K264-E268 CarbonylContact O-C 3.55Å; K264-E268 WeakPolarHBondContact O-CA 3.33Å; K264-E268 PolarHBondContact O-N 2.88Å; K264-D269 PolarHBondContact O-N 3.44Å; K264-W273 HydrophobicContact CB-CD2 3.98Å; K264-W273 HydrophobicContact CB-CG 4.37Å; K264-W273 HydrophobicContact CB-CH2 4.46Å; K264-W273 HydrophobicContact CB-CZ2 3.93Å; K264-W273 HydrophobicContact CD-CG 4.38Å; K264-W273 HydrophobicContact CG-CD2 4.3Å; K264-W273 HydrophobicContact CG-CG 4.32Å
265L86.6Confident83.5Confident96 Ų9653.9 Ų53.950%0.50331%0.305SS..Hα-helixtrans-62.6-34.3175.6-72.7169.2000113.4V261 W273V261-L265 HydrophobicContact CG1-CD1 3.79Å; V261-L265 HydrophobicContact CG1-CG 4.38Å; V261-L265 WeakPolarHBondContact O-CB 3.4Å; V261-L265 VanDerWaalsContact O-CG 3.31Å; V261-L265 WeakPolarHBondContact O-CG 3.41Å; V261-L265 PolarHBondContact O-N 3.42Å; L265-W273 HydrophobicContact CD1-CH2 4.5Å; L265-W273 HydrophobicContact CD2-CH2 3.94Å; L265-W273 HydrophobicContact CD2-CZ2 3.67Å; L265-W273 HydrophobicContact CG-CH2 3.85Å; L265-W273 HydrophobicContact CG-CZ2 3.79Å
266A85.8Confident82Confident72 Ų7253.2 Ų53.260%0.59530%0.302SS*.Hα-helixtrans-83.8-32.8-175.600000113.9S262 C263 K264S262-A266 VanDerWaalsContact O-CB 3.26Å; S262-A266 WeakPolarHBondContact O-CB 3.34Å; S262-A266 PolarHBondContact O-N 3.3Å; C263-A266 PolarHBondContact O-N 3.48Å; K264-A266 VanDerWaalsContact C-N 3.3Å; K264-A266 PolarHBondContact O-N 3.23Å
267F81.9Confident80.4Confident136 Ų13656.1 Ų56.160%0.59632%0.32SS*.Hα-helixtrans-120.2-27-169.7-61.1-70.8000114.3C263 Y281C263-F267 HydrophobicContact CB-CD2 4.49Å; C263-F267 WeakPolarHBondContact O-CD2 3.43Å; C263-F267 PolarHBondContact O-N 3.36Å; F267-Y281 HydrophobicContact CB-CE2 4.03Å; F267-Y281 HydrophobicContact CD2-CE1 4.2Å; F267-Y281 AromaticContact CD2-CZ 3.87Å; F267-Y281 WeakPolarHBondContact CD2-OH 3.4Å; F267-Y281 WeakPolarHBondContact CG-OH 3.35Å
268E75Confident79Confident51 Ų5161.7 Ų61.724%0.23836%0.355CS..  trans-144.857.1-168.8-67.3179.3175.100111.5K264 I270 S279 Y281K264-E268 HydrophobicContact CD-CB 4.11Å; K264-E268 IonicContact NZ-OE2 3.47Å; K264-E268 PolarHBondContact NZ-OE2 3.35Å; K264-E268 CarbonylContact O-C 3.55Å; K264-E268 WeakPolarHBondContact O-CA 3.33Å; K264-E268 PolarHBondContact O-N 2.88Å; E268-I270 VanDerWaalsContact C-N 3.26Å; E268-I270 PolarHBondContact O-N 3.1Å; E268-S279 VanDerWaalsContact CD-OG 3.29Å; E268-S279 PolarHBondContact OE1-OG 3.34Å; E268-S279 PolarHBondContact OE2-OG 3.41Å; E268-Y281 HydrophobicContact CG-CD2 4.39Å; E268-Y281 HydrophobicContact CG-CE2 4.17Å; E268-Y281 WeakPolarHBondContact OE1-CE2 3.17Å
269D76.6Confident78.1Confident38 Ų3860.5 Ų60.520%0.20334%0.342CS..  trans-9131.5-179.3-158.538.9000113.9K203 K264K203-D269 VanDerWaalsContact CE-OD1 3.28Å; K203-D269 WeakPolarHBondContact CE-OD1 3.47Å; K203-D269 PolarHBondContact NZ-O 3.22Å; K203-D269 IonicContact NZ-OD1 2.99Å; K203-D269 PolarHBondContact NZ-OD1 3.15Å; K203-D269 IonicContact NZ-OD2 3.06Å; K203-D269 PolarHBondContact NZ-OD2 3.5Å; K203-D269 VanDerWaalsContact NZ-OD2 3.15Å; K264-D269 PolarHBondContact O-N 3.44Å
270I64.9Low77.5Confident118 Ų11861.9 Ų61.961%0.60535%0.352SS*.SBendtrans-92.8-14.7-161-56.1176.3000113.4H23 E268H23-I270 CarbonylContact C-O 3.59Å; H23-I270 HydrophobicContact CB-CG2 4.25Å; E268-I270 VanDerWaalsContact C-N 3.26Å; E268-I270 PolarHBondContact O-N 3.1Å
271A68.5Low77Confident22 Ų2264.4 Ų64.418%0.18236%0.362CS..SBendtrans-157-163.8176.800000111.5K203K203-A271 WeakPolarHBondContact CE-O 3.16Å
272C76.1Confident76.6Confident12 Ų1265.6 Ų65.68%0.08136%0.362CS..  trans-65.3137.5160.7-171.60000109.9C202 D274C202-C272 HydrophobicContact CB-CB 3.81Å; C202-C272 WeakPolarHBondContact CB-SG 3.47Å; C202-C272 WeakPolarHBondContact SG-CB 3.5Å; C202-C272 CovalentContact SG-SG 2.02Å; C202-C272 PolarHBondContact SG-SG 2.77Å; C272-D274 PolarHBondContact O-N 2.81Å
273W78.6Confident76.5Confident21 Ų2169.7 Ų69.78%0.0837%0.367CS..THydrogen-bonded Turntrans-73.612.8-176-57.4-28.1000114.7K203 V206 A207 W260 V261 K264 L265K203-W273 HydrophobicContact CB-CD2 4.3Å; K203-W273 HydrophobicContact CB-CE3 4.2Å; K203-W273 HydrophobicContact CB-CH2 4.4Å; K203-W273 HydrophobicContact CB-CZ2 4.5Å; K203-W273 HydrophobicContact CB-CZ3 4.25Å; K203-W273 HydrophobicContact CD-CZ2 4.1Å; K203-W273 HydrophobicContact CG-CD2 3.97Å; K203-W273 HydrophobicContact CG-CE3 4.38Å; K203-W273 HydrophobicContact CG-CG 4.31Å; K203-W273 HydrophobicContact CG-CZ2 4.21Å; V206-W273 HydrophobicContact CG1-CB 4.19Å; A207-W273 HydrophobicContact CB-CZ3 4.26Å; W260-W273 HydrophobicContact CH2-CB 3.79Å; W260-W273 HydrophobicContact CH2-CD2 4.22Å; W260-W273 AromaticContact CH2-CE3 3.73Å; W260-W273 HydrophobicContact CH2-CE3 3.73Å; W260-W273 HydrophobicContact CH2-CG 4.31Å; W260-W273 HydrophobicContact CZ2-CB 4.22Å; W260-W273 AromaticContact CZ3-CE3 3.67Å; W260-W273 HydrophobicContact CZ3-CE3 3.67Å; W260-W273 HydrophobicContact CZ3-CZ3 4.18Å; V261-W273 HydrophobicContact CB-CZ3 4.46Å; V261-W273 HydrophobicContact CG1-CH2 3.93Å; V261-W273 HydrophobicContact CG1-CZ3 4.11Å; V261-W273 HydrophobicContact CG2-CZ3 4.09Å; K264-W273 HydrophobicContact CB-CD2 3.98Å; K264-W273 HydrophobicContact CB-CG 4.37Å; K264-W273 HydrophobicContact CB-CH2 4.46Å; K264-W273 HydrophobicContact CB-CZ2 3.93Å; K264-W273 HydrophobicContact CD-CG 4.38Å; K264-W273 HydrophobicContact CG-CD2 4.3Å; K264-W273 HydrophobicContact CG-CG 4.32Å; L265-W273 HydrophobicContact CD1-CH2 4.5Å; L265-W273 HydrophobicContact CD2-CH2 3.94Å; L265-W273 HydrophobicContact CD2-CZ2 3.67Å; L265-W273 HydrophobicContact CG-CH2 3.85Å; L265-W273 HydrophobicContact CG-CZ2 3.79Å
274D74.9Confident76.5Confident61 Ų6170.5 Ų70.533%0.32637%0.369SS..THydrogen-bonded Turntrans-85.3-17.2-177.7-149.539000114.1K182 V206 C272K182-D274 WeakPolarHBondContact CE-OD1 3.33Å; K182-D274 WeakPolarHBondContact CE-OD2 3.44Å; K182-D274 IonicContact NZ-OD1 2.58Å; K182-D274 PolarHBondContact NZ-OD1 2.86Å; K182-D274 IonicContact NZ-OD2 2.64Å; K182-D274 PolarHBondContact NZ-OD2 3.17Å; V206-D274 HydrophobicContact CG2-CB 3.93Å; C272-D274 PolarHBondContact O-N 2.81Å
275L62.7Low76.7Confident83 Ų8370.2 Ų70.244%0.43537%0.368SS..SBendtrans-97.1-13-162.5-68162.5000115.3P26P26-L275 HydrophobicContact CG-CD1 3.71Å
276D62.4Low76.7Confident92 Ų9268.7 Ų68.749%0.49236%0.357SS..  trans-11479.3-170-80.7-39000114T278D276-T278 PolarHBondContact O-N 3.39Å
277D61.6Low76.8Confident125 Ų12566.3 Ų66.367%0.66834%0.339SS*.THydrogen-bonded Turntrans-69.6-16.4169.6-91.5-29.8000113.3S279 W282D277-S279 VanDerWaalsContact C-N 3.35Å; D277-W282 PolarHBondContact OD1-NE1 2.78Å
278T65.5Low77.3Confident127 Ų12761.1 Ų61.178%0.77932%0.319SS*.THydrogen-bonded Turntrans-80.6-16.3-179.157.50000113.2D276D276-T278 PolarHBondContact O-N 3.39Å
279S73.5Confident78Confident7 Ų759.1 Ų59.15%0.04931%0.31CS..SBendtrans-67.5133.7-176.3177.40000111.5E268 D277 Y281 W282E268-S279 VanDerWaalsContact CD-OG 3.29Å; E268-S279 PolarHBondContact OE1-OG 3.34Å; E268-S279 PolarHBondContact OE2-OG 3.41Å; D277-S279 VanDerWaalsContact C-N 3.35Å; S279-Y281 PolarHBondContact O-N 2.91Å; S279-Y281 VanDerWaalsContact O-N 3.1Å; S279-Y281 WeakPolarHBondContact OG-CD2 3.44Å; S279-Y281 PolarHBondContact OG-N 3.47Å; S279-W282 VanDerWaalsContact O-CB 3.3Å; S279-W282 WeakPolarHBondContact O-CB 3.18Å; S279-W282 PolarHBondContact O-N 3.44Å
280P80.9Confident78.5Confident95 Ų9559.3 Ų59.362%0.61731%0.313SS*.G310 helixtrans-60.5-23.8176.626.2-34.9000112.4W282 W283P280-W282 PolarHBondContact O-N 2.85Å; P280-W283 PolarHBondContact O-N 2.97Å
281Y82.9Confident79.8Confident57 Ų5759.5 Ų59.522%0.22431%0.314CS..G310 helixtrans-67-19.6177.8-56.4-63.6000112.7W260 C263 F267 E268 S279 W283 I284W260-Y281 VanDerWaalsContact CD1-O 3.31Å; C263-Y281 HydrophobicContact CB-CD1 3.85Å; C263-Y281 HydrophobicContact CB-CE1 4.21Å; C263-Y281 HydrophobicContact CB-CG 4.3Å; F267-Y281 HydrophobicContact CB-CE2 4.03Å; F267-Y281 HydrophobicContact CD2-CE1 4.2Å; F267-Y281 AromaticContact CD2-CZ 3.87Å; F267-Y281 WeakPolarHBondContact CD2-OH 3.4Å; F267-Y281 WeakPolarHBondContact CG-OH 3.35Å; E268-Y281 HydrophobicContact CG-CD2 4.39Å; E268-Y281 HydrophobicContact CG-CE2 4.17Å; E268-Y281 WeakPolarHBondContact OE1-CE2 3.17Å; S279-Y281 PolarHBondContact O-N 2.91Å; S279-Y281 VanDerWaalsContact O-N 3.1Å; S279-Y281 WeakPolarHBondContact OG-CD2 3.44Å; S279-Y281 PolarHBondContact OG-N 3.47Å; Y281-W283 PolarHBondContact O-N 3.2Å; Y281-I284 HydrophobicContact CD1-CD1 4.09Å; Y281-I284 VanDerWaalsContact O-CB 3.27Å; Y281-I284 WeakPolarHBondContact O-CB 3.46Å; Y281-I284 WeakPolarHBondContact O-CG1 3.4Å; Y281-I284 PolarHBondContact O-N 3.48Å
282W83.5Confident80.8Confident58 Ų5858.9 Ų58.922%0.2231%0.309CS..G310 helixtrans-59.3-32176.9-178.1-158.5000112.7H210 D277 S279 P280 I284 I285 K286H210-W282 AromaticContact CE1-CH2 3.63Å; H210-W282 AromaticContact CE1-CZ3 3.39Å; H210-W282 WeakPolarHBondContact CE1-CZ3 3.43Å; H210-W282 AromaticContact ND1-CH2 3.91Å; H210-W282 AromaticContact ND1-CZ3 3.7Å; D277-W282 PolarHBondContact OD1-NE1 2.78Å; S279-W282 VanDerWaalsContact O-CB 3.3Å; S279-W282 WeakPolarHBondContact O-CB 3.18Å; S279-W282 PolarHBondContact O-N 3.44Å; P280-W282 PolarHBondContact O-N 2.85Å; W282-I284 PolarHBondContact O-N 2.7Å; W282-I284 VanDerWaalsContact O-N 3.15Å; W282-I285 HydrophobicContact CE3-CB 3.75Å; W282-I285 HydrophobicContact CE3-CG1 4.25Å; W282-I285 HydrophobicContact CE3-CG2 4.25Å; W282-I285 HydrophobicContact CH2-CB 4.31Å; W282-I285 HydrophobicContact CH2-CG2 3.92Å; W282-I285 HydrophobicContact CZ3-CB 3.38Å; W282-I285 HydrophobicContact CZ3-CG1 4.02Å; W282-I285 HydrophobicContact CZ3-CG2 3.37Å; W282-I285 PolarHBondContact O-N 3.39Å; W282-I285 VanDerWaalsContact O-N 3.09Å; W282-K286 HydrophobicContact CD2-CB 4.29Å; W282-K286 HydrophobicContact CZ2-CB 4.39Å; W282-K286 PolarHBondContact O-N 2.89Å
283W87.9Confident81.3Confident160 Ų16058.5 Ų58.561%0.60631%0.306SS*.Hα-helixtrans-63.1-20.3176.5-81.9102.1000114.4P280 Y281 I285 G287P280-W283 PolarHBondContact O-N 2.97Å; Y281-W283 PolarHBondContact O-N 3.2Å; W283-I285 PolarHBondContact O-N 2.9Å; W283-G287 WeakPolarHBondContact O-CA 3.41Å; W283-G287 PolarHBondContact O-N 3.46Å
284I90.7Very high81.7Confident42 Ų4259.4 Ų59.422%0.21532%0.321CS..Hα-helixtrans-62.4-34.4175.2-60.3173.3000110.7T259 W260 C263 Y281 W282 P288T259-I284 HydrophobicContact CG2-CG2 4.36Å; W260-I284 HydrophobicContact CB-CB 4.36Å; W260-I284 HydrophobicContact CB-CG2 3.95Å; C263-I284 HydrophobicContact CB-CD1 4.36Å; Y281-I284 HydrophobicContact CD1-CD1 4.09Å; Y281-I284 VanDerWaalsContact O-CB 3.27Å; Y281-I284 WeakPolarHBondContact O-CB 3.46Å; Y281-I284 WeakPolarHBondContact O-CG1 3.4Å; Y281-I284 PolarHBondContact O-N 3.48Å; W282-I284 PolarHBondContact O-N 2.7Å; W282-I284 VanDerWaalsContact O-N 3.15Å; I284-P288 WeakPolarHBondContact O-CD 3.24Å; I284-P288 VanDerWaalsContact O-CG 3.29Å; I284-P288 WeakPolarHBondContact O-CG 3.28Å
285I89.8Confident82.5Confident1 Ų159.7 Ų59.71%0.00533%0.325CS..Hα-helixtrans-93.2-49.6177.4-57.5-65.4000110.5H210 M214 W260 W282 W283 G287 P288 I289H210-I285 HydrophobicContact CB-CG2 4.48Å; M214-I285 HydrophobicContact CE-CB 4.29Å; M214-I285 HydrophobicContact CE-CD1 3.26Å; M214-I285 HydrophobicContact CE-CG1 4.33Å; M214-I285 HydrophobicContact CE-CG2 3.93Å; W260-I285 HydrophobicContact CB-CD1 3.56Å; W260-I285 HydrophobicContact CB-CG1 3.86Å; W260-I285 HydrophobicContact CD2-CD1 4.17Å; W260-I285 HydrophobicContact CD2-CG1 3.94Å; W260-I285 HydrophobicContact CG-CD1 3.72Å; W260-I285 HydrophobicContact CG-CG1 3.51Å; W282-I285 HydrophobicContact CE3-CB 3.75Å; W282-I285 HydrophobicContact CE3-CG1 4.25Å; W282-I285 HydrophobicContact CE3-CG2 4.25Å; W282-I285 HydrophobicContact CH2-CB 4.31Å; W282-I285 HydrophobicContact CH2-CG2 3.92Å; W282-I285 HydrophobicContact CZ3-CB 3.38Å; W282-I285 HydrophobicContact CZ3-CG1 4.02Å; W282-I285 HydrophobicContact CZ3-CG2 3.37Å; W282-I285 PolarHBondContact O-N 3.39Å; W282-I285 VanDerWaalsContact O-N 3.09Å; W283-I285 PolarHBondContact O-N 2.9Å; I285-G287 PolarHBondContact O-N 3.48Å; I285-P288 WeakPolarHBondContact O-CD 3.34Å; I285-I289 HydrophobicContact CG2-CD1 3.82Å; I285-I289 WeakPolarHBondContact O-CG1 3.42Å; I285-I289 PolarHBondContact O-N 3.43Å
286K86.8Confident83.7Confident65 Ų6555.9 Ų55.928%0.28331%0.305SS..Hα-helixtrans-62.7-41.3-175.2-171.7175.5-176.6174.10112.4W282 I289 V290W282-K286 HydrophobicContact CD2-CB 4.29Å; W282-K286 HydrophobicContact CZ2-CB 4.39Å; W282-K286 PolarHBondContact O-N 2.89Å; K286-I289 PolarHBondContact O-N 2.95Å; K286-V290 HydrophobicContact CG-CG2 4.24Å; K286-V290 WeakPolarHBondContact O-CG2 3.29Å; K286-V290 PolarHBondContact O-N 3.4Å
287G89.3Confident84.8Confident21 Ų2155.1 Ų55.122%0.21630%0.298CS..Hα-helixtrans-58.1-56.9-178.200000113.4W283 I285 I289 V290 L291W283-G287 WeakPolarHBondContact O-CA 3.41Å; W283-G287 PolarHBondContact O-N 3.46Å; I285-G287 PolarHBondContact O-N 3.48Å; G287-I289 VanDerWaalsContact C-N 3.29Å; G287-I289 PolarHBondContact O-N 2.91Å; G287-V290 PolarHBondContact O-N 2.91Å; G287-L291 WeakPolarHBondContact O-CB 3.39Å; G287-L291 PolarHBondContact O-N 3.43Å
288P92.3Very high86Confident28 Ų2851 Ų5118%0.18229%0.285CS..Hα-helixtrans-58-36.2176.1-28.536.1000114.2F256 I284 I285 S292F256-P288 HydrophobicContact CD1-CG 3.68Å; F256-P288 HydrophobicContact CD2-CB 4Å; F256-P288 HydrophobicContact CD2-CG 3.91Å; F256-P288 HydrophobicContact CE1-CG 3.72Å; F256-P288 HydrophobicContact CE2-CB 4Å; F256-P288 HydrophobicContact CE2-CG 3.95Å; F256-P288 HydrophobicContact CG-CB 4.35Å; F256-P288 HydrophobicContact CG-CG 3.8Å; F256-P288 HydrophobicContact CZ-CB 4.32Å; F256-P288 HydrophobicContact CZ-CG 3.86Å; I284-P288 WeakPolarHBondContact O-CD 3.24Å; I284-P288 VanDerWaalsContact O-CG 3.29Å; I284-P288 WeakPolarHBondContact O-CG 3.28Å; I285-P288 WeakPolarHBondContact O-CD 3.34Å; P288-S292 VanDerWaalsContact O-CB 3.23Å; P288-S292 WeakPolarHBondContact O-CB 3.08Å; P288-S292 PolarHBondContact O-N 2.92Å
289I89.4Confident87.1Confident9 Ų946.2 Ų46.25%0.04626%0.255CS..Hα-helixtrans-64.6-52.4176.5-68.1171000110.4T213 M214 F217 I285 K286 G287 L291 S292 V293 Y342T213-I289 HydrophobicContact CG2-CD1 4.28Å; M214-I289 HydrophobicContact CG-CG1 4.36Å; F217-I289 HydrophobicContact CD2-CD1 4.49Å; F217-I289 HydrophobicContact CD2-CG1 4.23Å; F217-I289 HydrophobicContact CD2-CG2 3.68Å; F217-I289 HydrophobicContact CE2-CG2 3.7Å; F217-I289 HydrophobicContact CG-CG2 4.15Å; F217-I289 HydrophobicContact CZ-CG2 4.18Å; I285-I289 HydrophobicContact CG2-CD1 3.82Å; I285-I289 WeakPolarHBondContact O-CG1 3.42Å; I285-I289 PolarHBondContact O-N 3.43Å; K286-I289 PolarHBondContact O-N 2.95Å; G287-I289 VanDerWaalsContact C-N 3.29Å; G287-I289 PolarHBondContact O-N 2.91Å; I289-L291 VanDerWaalsContact C-N 3.32Å; I289-L291 PolarHBondContact O-N 3.34Å; I289-S292 WeakPolarHBondContact O-CB 3.17Å; I289-S292 PolarHBondContact O-N 2.99Å; I289-V293 HydrophobicContact CG2-CG2 4.5Å; I289-V293 WeakPolarHBondContact O-CG2 3.34Å; I289-V293 PolarHBondContact O-N 3.19Å; I289-Y342 HydrophobicContact CG2-CE1 4.22Å
290V87.5Confident87.7Confident42 Ų4246.4 Ų46.426%0.25526%0.255SS..Hα-helixtrans-60-42.9179.3172.60000111K286 G287 V293 G294 Y342K286-V290 HydrophobicContact CG-CG2 4.24Å; K286-V290 WeakPolarHBondContact O-CG2 3.29Å; K286-V290 PolarHBondContact O-N 3.4Å; G287-V290 PolarHBondContact O-N 2.91Å; V290-V293 PolarHBondContact O-N 2.92Å; V290-G294 PolarHBondContact O-N 3.2Å; V290-Y342 HydrophobicContact CG2-CE1 4.48Å
291L90.6Very high87.9Confident121 Ų12146.1 Ų46.163%0.63425%0.247SC*.Hα-helixtrans-61.4-46.8175.8179.562.6000111.8G287 I289 V293 G294 V295G287-L291 WeakPolarHBondContact O-CB 3.39Å; G287-L291 PolarHBondContact O-N 3.43Å; I289-L291 VanDerWaalsContact C-N 3.32Å; I289-L291 PolarHBondContact O-N 3.34Å; L291-V293 VanDerWaalsContact C-N 3.34Å; L291-V293 PolarHBondContact O-N 3.39Å; L291-G294 PolarHBondContact O-N 3.17Å; L291-V295 HydrophobicContact CD1-CG2 4.28Å; L291-V295 WeakPolarHBondContact O-CG2 3.48Å; L291-V295 PolarHBondContact O-N 3.24Å
292S90.5Very high88.1Confident10 Ų1046.1 Ų46.17%0.0725%0.251CS..Hα-helixtrans-58.4-46.6178.5-179.40000111.5F217 L221 P288 I289 V295 N296F217-S292 PolarHBondContact O-OG 3.48Å; L221-S292 WeakPolarHBondContact CB-OG 3.03Å; P288-S292 VanDerWaalsContact O-CB 3.23Å; P288-S292 WeakPolarHBondContact O-CB 3.08Å; P288-S292 PolarHBondContact O-N 2.92Å; I289-S292 WeakPolarHBondContact O-CB 3.17Å; I289-S292 PolarHBondContact O-N 2.99Å; S292-V295 PolarHBondContact O-N 2.92Å; S292-N296 WeakPolarHBondContact O-CB 3.44Å; S292-N296 PolarHBondContact O-N 3.48Å
293V87Confident88.1Confident4 Ų443.7 Ų43.72%0.02424%0.242CC..Hα-helixtrans-62.7-44177.6173.70000111.2F217 I289 V290 L291 N296 F297 Y342 I343F217-V293 HydrophobicContact CD1-CG2 3.61Å; F217-V293 HydrophobicContact CE1-CG2 3.5Å; F217-V293 HydrophobicContact CZ-CG2 4.36Å; I289-V293 HydrophobicContact CG2-CG2 4.5Å; I289-V293 WeakPolarHBondContact O-CG2 3.34Å; I289-V293 PolarHBondContact O-N 3.19Å; V290-V293 PolarHBondContact O-N 2.92Å; L291-V293 VanDerWaalsContact C-N 3.34Å; L291-V293 PolarHBondContact O-N 3.39Å; V293-N296 WeakPolarHBondContact O-CB 3.48Å; V293-N296 PolarHBondContact O-N 2.9Å; V293-F297 PolarHBondContact O-N 3.45Å; V293-Y342 HydrophobicContact CB-CD1 4.47Å; V293-Y342 HydrophobicContact CG1-CD1 4.21Å; V293-Y342 HydrophobicContact CG2-CD1 4.02Å; V293-I343 HydrophobicContact CG1-CD1 3.78Å; V293-I343 HydrophobicContact CG1-CG1 3.24Å
294G87.2Confident87.8Confident39 Ų3938.4 Ų38.440%0.40223%0.226SC..Hα-helixtrans-61.4-44.2176.700000113.3V290 L291 N296 F297 G298V290-G294 PolarHBondContact O-N 3.2Å; L291-G294 PolarHBondContact O-N 3.17Å; G294-N296 VanDerWaalsContact C-N 3.34Å; G294-F297 PolarHBondContact O-N 3.46Å; G294-G298 PolarHBondContact O-N 2.96Å; G294-G298 VanDerWaalsContact O-N 3.15Å
295V90.3Very high87.6Confident67 Ų6743.1 Ų43.141%0.40624%0.24SC..Hα-helixtrans-63.9-41.91751760000110.7L221 L291 S292 F297 G298 L299L221-V295 HydrophobicContact CD1-CB 4.05Å; L221-V295 HydrophobicContact CD1-CG1 3.67Å; L291-V295 HydrophobicContact CD1-CG2 4.28Å; L291-V295 WeakPolarHBondContact O-CG2 3.48Å; L291-V295 PolarHBondContact O-N 3.24Å; S292-V295 PolarHBondContact O-N 2.92Å; V295-F297 VanDerWaalsContact C-N 3.31Å; V295-F297 PolarHBondContact O-N 2.87Å; V295-G298 PolarHBondContact O-N 3.33Å; V295-G298 VanDerWaalsContact O-N 3.16Å; V295-L299 HydrophobicContact CG1-CD1 4.12Å; V295-L299 HydrophobicContact CG1-CG 4.38Å; V295-L299 WeakPolarHBondContact O-CG 3.31Å; V295-L299 PolarHBondContact O-N 3.43Å
296N88.2Confident87.3Confident4 Ų444.3 Ų44.32%0.02125%0.247CC..Hα-helixtrans-60-41.8178.3-1629000112L221 A224 S292 V293 G294 G298 L299 F300 F338L221-N296 HydrophobicContact CD1-CB 4.49Å; A224-N296 WeakPolarHBondContact CB-OD1 3.42Å; S292-N296 WeakPolarHBondContact O-CB 3.44Å; S292-N296 PolarHBondContact O-N 3.48Å; V293-N296 WeakPolarHBondContact O-CB 3.48Å; V293-N296 PolarHBondContact O-N 2.9Å; G294-N296 VanDerWaalsContact C-N 3.34Å; N296-G298 PolarHBondContact O-N 3.32Å; N296-L299 PolarHBondContact O-N 3.43Å; N296-F300 WeakPolarHBondContact O-CB 3.28Å; N296-F300 PolarHBondContact O-N 3.05Å; N296-F338 WeakPolarHBondContact ND2-CA 3.4Å; N296-F338 PolarHBondContact ND2-O 3.38Å; N296-F338 WeakPolarHBondContact OD1-CD1 3.5Å
297F85.4Confident87Confident76 Ų7644.1 Ų44.133%0.33325%0.249SC..Hα-helixtrans-62.5-42.2174.2179.8-105.6000112.8V293 G294 V295 L299 F300 L301 I340 I343V293-F297 PolarHBondContact O-N 3.45Å; G294-F297 PolarHBondContact O-N 3.46Å; V295-F297 VanDerWaalsContact C-N 3.31Å; V295-F297 PolarHBondContact O-N 2.87Å; F297-L299 VanDerWaalsContact C-N 3.33Å; F297-L299 PolarHBondContact O-N 3.19Å; F297-F300 WeakPolarHBondContact O-CB 2.85Å; F297-F300 PolarHBondContact O-N 3.3Å; F297-L301 HydrophobicContact CD1-CD1 4.21Å; F297-L301 HydrophobicContact CE1-CD1 3.69Å; F297-L301 HydrophobicContact CE1-CG 4.3Å; F297-L301 HydrophobicContact CZ-CD1 3.99Å; F297-L301 HydrophobicContact CZ-CD2 4.32Å; F297-L301 HydrophobicContact CZ-CG 4.27Å; F297-L301 WeakPolarHBondContact O-CG 3.46Å; F297-L301 PolarHBondContact O-N 2.81Å; F297-I340 HydrophobicContact CD2-CD1 4.17Å; F297-I340 HydrophobicContact CD2-CG1 4.19Å; F297-I340 HydrophobicContact CD2-CG2 4.01Å; F297-I340 HydrophobicContact CE2-CG2 4.17Å; F297-I343 HydrophobicContact CB-CD1 3.33Å; F297-I343 HydrophobicContact CD1-CD1 4.31Å; F297-I343 HydrophobicContact CD2-CD1 4.1Å; F297-I343 HydrophobicContact CG-CD1 3.68Å
298G87.3Confident86.5Confident39 Ų3945.6 Ų45.640%0.40225%0.253SS..Hα-helixtrans-59.6-42.317300000112.8G294 V295 N296 L301 N302G294-G298 PolarHBondContact O-N 2.96Å; G294-G298 VanDerWaalsContact O-N 3.15Å; V295-G298 PolarHBondContact O-N 3.33Å; V295-G298 VanDerWaalsContact O-N 3.16Å; N296-G298 PolarHBondContact O-N 3.32Å; G298-L301 PolarHBondContact O-N 2.57Å; G298-N302 PolarHBondContact O-N 2.92Å; G298-N302 VanDerWaalsContact O-N 3.15Å
299L88.5Confident86.1Confident26 Ų2651 Ų5114%0.13627%0.27CS..Hα-helixtrans-65.3-41.8175.6-67.8171.2000111.9L221 A224 V225 N228 V295 N296 F297 L301 N302 I303L221-L299 HydrophobicContact CD1-CD1 3.91Å; A224-L299 HydrophobicContact CB-CB 4.35Å; A224-L299 HydrophobicContact CB-CD1 3.9Å; V225-L299 HydrophobicContact CB-CD1 4.48Å; V225-L299 HydrophobicContact CG2-CD1 3.56Å; N228-L299 HydrophobicContact CB-CD2 4.11Å; V295-L299 HydrophobicContact CG1-CD1 4.12Å; V295-L299 HydrophobicContact CG1-CG 4.38Å; V295-L299 WeakPolarHBondContact O-CG 3.31Å; V295-L299 PolarHBondContact O-N 3.43Å; N296-L299 PolarHBondContact O-N 3.43Å; F297-L299 VanDerWaalsContact C-N 3.33Å; F297-L299 PolarHBondContact O-N 3.19Å; L299-L301 PolarHBondContact O-N 3.45Å; L299-N302 WeakPolarHBondContact O-CB 3.41Å; L299-N302 PolarHBondContact O-N 3.45Å; L299-N302 VanDerWaalsContact O-N 3.14Å; L299-I303 VanDerWaalsContact O-CG1 3.3Å; L299-I303 WeakPolarHBondContact O-CG1 3.41Å; L299-I303 PolarHBondContact O-N 3.15Å
300F85.5Confident85.4Confident11 Ų1156.4 Ų56.45%0.04829%0.293CS..Hα-helixtrans-57.9-47176172.3-109.6000112N296 F297 N302 I303 I304 T331 L334 I335 F338 I340N296-F300 WeakPolarHBondContact O-CB 3.28Å; N296-F300 PolarHBondContact O-N 3.05Å; F297-F300 WeakPolarHBondContact O-CB 2.85Å; F297-F300 PolarHBondContact O-N 3.3Å; F300-N302 VanDerWaalsContact C-N 3.29Å; F300-N302 PolarHBondContact O-N 3.24Å; F300-I303 PolarHBondContact O-N 3.41Å; F300-I304 HydrophobicContact CD1-CD1 3.82Å; F300-I304 HydrophobicContact CD2-CD1 4.2Å; F300-I304 HydrophobicContact CD2-CG1 4.49Å; F300-I304 HydrophobicContact CE1-CD1 3.31Å; F300-I304 HydrophobicContact CE1-CG1 4.49Å; F300-I304 HydrophobicContact CE2-CD1 3.74Å; F300-I304 HydrophobicContact CE2-CG1 4.19Å; F300-I304 HydrophobicContact CG-CD1 4.27Å; F300-I304 HydrophobicContact CZ-CD1 3.3Å; F300-I304 HydrophobicContact CZ-CG1 4.23Å; F300-I304 WeakPolarHBondContact O-CG1 3.25Å; F300-I304 PolarHBondContact O-N 2.91Å; F300-T331 HydrophobicContact CE2-CG2 3.95Å; F300-T331 HydrophobicContact CZ-CG2 3.73Å; F300-L334 HydrophobicContact CE2-CB 4.16Å; F300-I335 HydrophobicContact CE1-CG1 4.28Å; F300-I335 HydrophobicContact CE2-CG1 4.46Å; F300-I335 HydrophobicContact CZ-CD1 4.48Å; F300-I335 HydrophobicContact CZ-CG1 3.66Å; F300-F338 HydrophobicContact CB-CD2 4.22Å; F300-F338 AromaticContact CD2-CD2 3.38Å; F300-F338 HydrophobicContact CD2-CD2 3.38Å; F300-F338 AromaticContact CD2-CE2 3.56Å; F300-F338 HydrophobicContact CD2-CE2 3.56Å; F300-F338 HydrophobicContact CD2-CG 4.44Å; F300-F338 AromaticContact CE2-CD2 3.99Å; F300-F338 HydrophobicContact CE2-CD2 3.99Å; F300-F338 HydrophobicContact CE2-CE2 4.19Å; F300-F338 HydrophobicContact CG-CD2 4.1Å; F300-I340 HydrophobicContact CB-CD1 4.32Å; F300-I340 HydrophobicContact CD1-CD1 3.31Å; F300-I340 HydrophobicContact CD2-CD1 4.17Å; F300-I340 HydrophobicContact CE1-CD1 3.4Å; F300-I340 VanDerWaalsContact CE1-CD1 3.4Å; F300-I340 HydrophobicContact CE2-CD1 4.25Å; F300-I340 HydrophobicContact CG-CD1 3.68Å; F300-I340 HydrophobicContact CZ-CD1 3.86Å
301L85Confident84.6Confident89 Ų8956 Ų5647%0.46629%0.289SS..Hα-helixtrans-60.4-39.6175.3-67179.5000111.8F297 G298 L299 I304 R305F297-L301 HydrophobicContact CD1-CD1 4.21Å; F297-L301 HydrophobicContact CE1-CD1 3.69Å; F297-L301 HydrophobicContact CE1-CG 4.3Å; F297-L301 HydrophobicContact CZ-CD1 3.99Å; F297-L301 HydrophobicContact CZ-CD2 4.32Å; F297-L301 HydrophobicContact CZ-CG 4.27Å; F297-L301 WeakPolarHBondContact O-CG 3.46Å; F297-L301 PolarHBondContact O-N 2.81Å; G298-L301 PolarHBondContact O-N 2.57Å; L299-L301 PolarHBondContact O-N 3.45Å; L301-I304 PolarHBondContact O-N 3.29Å; L301-R305 WeakPolarHBondContact O-CB 3.49Å; L301-R305 PolarHBondContact O-N 3.39Å
302N86.6Confident83.6Confident56 Ų5656.5 Ų56.530%0.29929%0.288SS..Hα-helixtrans-66.9-41.2176.4-167.948000112.4N228 G298 L299 F300 R305 I306N228-N302 PolarHBondContact OD1-ND2 2.95Å; G298-N302 PolarHBondContact O-N 2.92Å; G298-N302 VanDerWaalsContact O-N 3.15Å; L299-N302 WeakPolarHBondContact O-CB 3.41Å; L299-N302 PolarHBondContact O-N 3.45Å; L299-N302 VanDerWaalsContact O-N 3.14Å; F300-N302 VanDerWaalsContact C-N 3.29Å; F300-N302 PolarHBondContact O-N 3.24Å; N302-R305 WeakPolarHBondContact O-CB 3.47Å; N302-R305 PolarHBondContact O-N 2.7Å; N302-I306 WeakPolarHBondContact O-CG1 3.27Å; N302-I306 PolarHBondContact O-N 3.31Å
303I84.6Confident82.2Confident8 Ų861.4 Ų61.44%0.04132%0.32CS..Hα-helixtrans-61.1-46.9175.8-70.2161.6000110.3L227 N228 L231 L299 F300 R305 I306 L307 F338L227-I303 HydrophobicContact CD2-CD1 3.95Å; L227-I303 HydrophobicContact CG-CD1 4.23Å; N228-I303 HydrophobicContact CB-CD1 4.47Å; N228-I303 HydrophobicContact CB-CG1 4.36Å; L231-I303 HydrophobicContact CD1-CB 4.44Å; L231-I303 HydrophobicContact CD1-CG1 4.17Å; L231-I303 HydrophobicContact CD1-CG2 3.84Å; L299-I303 VanDerWaalsContact O-CG1 3.3Å; L299-I303 WeakPolarHBondContact O-CG1 3.41Å; L299-I303 PolarHBondContact O-N 3.15Å; F300-I303 PolarHBondContact O-N 3.41Å; I303-R305 VanDerWaalsContact C-N 3.33Å; I303-R305 PolarHBondContact O-N 3.38Å; I303-I306 PolarHBondContact O-N 2.96Å; I303-L307 VanDerWaalsContact O-CB 3.28Å; I303-L307 WeakPolarHBondContact O-CB 3.33Å; I303-L307 PolarHBondContact O-N 2.89Å; I303-F338 HydrophobicContact CD1-CZ 4.38Å
304I82.1Confident80.9Confident49 Ų4965.1 Ų65.125%0.25135%0.351SS..Hα-helixtrans-58.1-47.3174.9-69.9168.4000110.3F300 L301 I306 L307 V308 T331F300-I304 HydrophobicContact CD1-CD1 3.82Å; F300-I304 HydrophobicContact CD2-CD1 4.2Å; F300-I304 HydrophobicContact CD2-CG1 4.49Å; F300-I304 HydrophobicContact CE1-CD1 3.31Å; F300-I304 HydrophobicContact CE1-CG1 4.49Å; F300-I304 HydrophobicContact CE2-CD1 3.74Å; F300-I304 HydrophobicContact CE2-CG1 4.19Å; F300-I304 HydrophobicContact CG-CD1 4.27Å; F300-I304 HydrophobicContact CZ-CD1 3.3Å; F300-I304 HydrophobicContact CZ-CG1 4.23Å; F300-I304 WeakPolarHBondContact O-CG1 3.25Å; F300-I304 PolarHBondContact O-N 2.91Å; L301-I304 PolarHBondContact O-N 3.29Å; I304-I306 VanDerWaalsContact C-N 3.34Å; I304-I306 PolarHBondContact O-N 2.97Å; I304-L307 PolarHBondContact O-N 3.4Å; I304-L307 VanDerWaalsContact O-N 3.15Å; I304-V308 HydrophobicContact CG2-CG2 4.07Å; I304-V308 WeakPolarHBondContact O-CG2 2.97Å; I304-V308 PolarHBondContact O-N 3.19Å; I304-T331 HydrophobicContact CD1-CG2 3.74Å; I304-T331 HydrophobicContact CG1-CG2 3.94Å
305R85.4Confident79.3Confident140 Ų14065.2 Ų65.253%0.52834%0.341SS..Hα-helixtrans-58.2-45.1179.3-175.1-177.3-173.9178.65.2112L301 N302 I303 L307 R309L301-R305 WeakPolarHBondContact O-CB 3.49Å; L301-R305 PolarHBondContact O-N 3.39Å; N302-R305 WeakPolarHBondContact O-CB 3.47Å; N302-R305 PolarHBondContact O-N 2.7Å; I303-R305 VanDerWaalsContact C-N 3.33Å; I303-R305 PolarHBondContact O-N 3.38Å; R305-L307 VanDerWaalsContact C-N 3.35Å; R305-R309 WeakPolarHBondContact O-CB 3.3Å; R305-R309 VanDerWaalsContact O-CG 3.28Å; R305-R309 WeakPolarHBondContact O-CG 3.34Å; R305-R309 PolarHBondContact O-N 3.39Å; R305-R309 VanDerWaalsContact O-N 3.11Å
306I83.4Confident77.5Confident27 Ų2765.3 Ų65.314%0.13836%0.356CS..Hα-helixtrans-65.1-41.3177.3-67.1166.3000110.5L231 N302 I303 I304 R309 K310L231-I306 HydrophobicContact CB-CD1 4.47Å; L231-I306 HydrophobicContact CB-CG2 4.31Å; N302-I306 WeakPolarHBondContact O-CG1 3.27Å; N302-I306 PolarHBondContact O-N 3.31Å; I303-I306 PolarHBondContact O-N 2.96Å; I304-I306 VanDerWaalsContact C-N 3.34Å; I304-I306 PolarHBondContact O-N 2.97Å; I306-R309 PolarHBondContact O-N 3.41Å; I306-K310 HydrophobicContact CG2-CD 4.14Å; I306-K310 WeakPolarHBondContact O-CG 2.96Å; I306-K310 PolarHBondContact O-N 2.84Å
307L81.4Confident75.8Confident61 Ų6170.3 Ų70.332%0.31939%0.391SS..Hα-helixtrans-64.5-51.2-179.6-171.461000111I303 I304 R305 R309 K310 L311 L327I303-L307 VanDerWaalsContact O-CB 3.28Å; I303-L307 WeakPolarHBondContact O-CB 3.33Å; I303-L307 PolarHBondContact O-N 2.89Å; I304-L307 PolarHBondContact O-N 3.4Å; I304-L307 VanDerWaalsContact O-N 3.15Å; R305-L307 VanDerWaalsContact C-N 3.35Å; L307-R309 VanDerWaalsContact C-N 3.33Å; L307-R309 PolarHBondContact O-N 3.09Å; L307-K310 PolarHBondContact O-N 2.85Å; L307-K310 VanDerWaalsContact O-N 3.09Å; L307-L311 HydrophobicContact CD1-CD1 3.95Å; L307-L311 HydrophobicContact CG-CD1 3.83Å; L307-L311 WeakPolarHBondContact O-CD1 3.33Å; L307-L311 PolarHBondContact O-N 3.09Å; L307-L311 VanDerWaalsContact O-N 3.08Å; L307-L327 HydrophobicContact CD1-CD1 4.35Å; L307-L327 HydrophobicContact CD2-CD1 3.5Å; L307-L327 VanDerWaalsContact CD2-CD1 3.5Å; L307-L327 HydrophobicContact CD2-CD2 4.33Å; L307-L327 HydrophobicContact CD2-CG 4.12Å; L307-L327 HydrophobicContact CG-CD1 3.84Å; L307-L327 HydrophobicContact CG-CD2 4.32Å
308V78.9Confident74.5Confident51 Ų5174.5 Ų74.531%0.30942%0.416SS..Hα-helixtrans-56.8-45.7176.8173.20000111.1I304 K310 L311 E312 L327I304-V308 HydrophobicContact CG2-CG2 4.07Å; I304-V308 WeakPolarHBondContact O-CG2 2.97Å; I304-V308 PolarHBondContact O-N 3.19Å; V308-K310 VanDerWaalsContact C-N 3.32Å; V308-K310 PolarHBondContact O-N 2.88Å; V308-L311 PolarHBondContact O-N 2.77Å; V308-L311 VanDerWaalsContact O-N 3.13Å; V308-E312 PolarHBondContact O-N 3.1Å; V308-E312 VanDerWaalsContact O-N 3.15Å; V308-L327 HydrophobicContact CG2-CD2 4.44Å
309R82.6Confident73.2Confident143 Ų14379 Ų7954%0.5443%0.427SS..Hα-helixtrans-63.3-31.9176.8-76.7175.5171.6-173.3-8.6114.1R305 I306 L307 P313R305-R309 WeakPolarHBondContact O-CB 3.3Å; R305-R309 VanDerWaalsContact O-CG 3.28Å; R305-R309 WeakPolarHBondContact O-CG 3.34Å; R305-R309 PolarHBondContact O-N 3.39Å; R305-R309 VanDerWaalsContact O-N 3.11Å; I306-R309 PolarHBondContact O-N 3.41Å; L307-R309 VanDerWaalsContact C-N 3.33Å; L307-R309 PolarHBondContact O-N 3.09Å; R309-P313 WeakPolarHBondContact O-CD 3.31Å
310K76.6Confident71.8Confident121 Ų12180.5 Ų80.553%0.52644%0.437SS..Hα-helixtrans-77.8-22176.2-76.9-178.5-178.7175.60112.4L231 I306 L307 V308L231-K310 PolarHBondContact O-NZ 2.75Å; L231-K310 VanDerWaalsContact O-NZ 3.15Å; I306-K310 HydrophobicContact CG2-CD 4.14Å; I306-K310 WeakPolarHBondContact O-CG 2.96Å; I306-K310 PolarHBondContact O-N 2.84Å; L307-K310 PolarHBondContact O-N 2.85Å; L307-K310 VanDerWaalsContact O-N 3.09Å; V308-K310 VanDerWaalsContact C-N 3.32Å; V308-K310 PolarHBondContact O-N 2.88Å
311L68.9Low70.6Confident35 Ų3588.4 Ų88.418%0.18347%0.474CS..Hα-helixtrans-81.1-33.4175.6-86.3115.7000113L307 V308 P313 A314 L327L307-L311 HydrophobicContact CD1-CD1 3.95Å; L307-L311 HydrophobicContact CG-CD1 3.83Å; L307-L311 WeakPolarHBondContact O-CD1 3.33Å; L307-L311 PolarHBondContact O-N 3.09Å; L307-L311 VanDerWaalsContact O-N 3.08Å; V308-L311 PolarHBondContact O-N 2.77Å; V308-L311 VanDerWaalsContact O-N 3.13Å; L311-P313 VanDerWaalsContact C-CD 3.48Å; L311-A314 PolarHBondContact O-N 3.15Å; L311-L327 HydrophobicContact CD1-CD1 3.81Å; L311-L327 HydrophobicContact CD1-CD2 3.7Å; L311-L327 HydrophobicContact CD1-CG 4.39Å
312E70.6Confident69.5Low131 Ų13187.2 Ų87.261%0.61247%0.473SS*.G310 helixtrans-57-41.9-175.9-162.9176.5162.300115.3V308 A314V308-E312 PolarHBondContact O-N 3.1Å; V308-E312 VanDerWaalsContact O-N 3.15Å; E312-A314 VanDerWaalsContact C-N 3.3Å; E312-A314 PolarHBondContact O-N 2.75Å
313P61.5Low68.4Low112 Ų11287.2 Ų87.273%0.72747%0.471SS*.G310 helixtrans-77.4-11.5-178.2-0.713.9000114.1R309 L311 Q315R309-P313 WeakPolarHBondContact O-CD 3.31Å; L311-P313 VanDerWaalsContact C-CD 3.48Å; P313-Q315 VanDerWaalsContact C-N 3.35Å
314A59.5Low67.3Low83 Ų8391.1 Ų91.169%0.68649%0.486SS*.G310 helixtrans-87.7-0.7-176.200000113.5L311 E312L311-A314 PolarHBondContact O-N 3.15Å; E312-A314 VanDerWaalsContact C-N 3.3Å; E312-A314 PolarHBondContact O-N 2.75Å
315Q52.9Low66.5Low40 Ų4097.2 Ų97.219%0.18751%0.506CS..  trans-121.689.7-161.2-68.3-178.2-8.600113.5P313 S317P313-Q315 VanDerWaalsContact C-N 3.35Å; Q315-S317 PolarHBondContact O-N 3.01Å
316G53.1Low65.6Low70 Ų7098.2 Ų98.272%0.72251%0.51SS*.  trans-71.1102.8155.700000111.3L318G316-L318 PolarHBondContact O-N 2.98Å
317S52.4Low64.5Low109 Ų10998.4 Ų98.476%0.76251%0.511SS*.SBendtrans55.9-7.6145.371.10000125.5Q315Q315-S317 PolarHBondContact O-N 3.01Å
318L57.3Low63.5Low164 Ų16499 Ų9986%0.85952%0.52SS*.SBendtrans-141.6-7180-138.874.5000118.5G316G316-L318 PolarHBondContact O-N 2.98Å
319H60.2Low63.2Low133 Ų133101.8 Ų101.862%0.61653%0.528SS*.SBendtrans-111.214.6-175.8-117.6161.4000114.8S322 Q323H319-S322 PolarHBondContact CD2-OG 3.15Å; H319-S322 PolarHBondContact O-OG 2.97Å; H319-Q323 PolarHBondContact O-N 2.02Å
320T59.3Low62.3Low58 Ų5898.3 Ų98.336%0.35653%0.526SS..Hα-helixtrans-62.5-55.2-170-43.30000111.5S322 Q323 Y324T320-S322 PolarHBondContact O-N 2.9Å; T320-Q323 PolarHBondContact O-N 3.45Å; T320-Y324 HydrophobicContact CG2-CD2 3.65Å; T320-Y324 HydrophobicContact CG2-CE2 3.27Å; T320-Y324 WeakPolarHBondContact O-CD2 3.39Å; T320-Y324 PolarHBondContact O-N 3.4Å
321Q59.7Low61.9Low177 Ų17793.6 Ų93.683%0.82751%0.507SS*.Hα-helixtrans-60.2-43.6-174.2-88.2-135.4-31.900115Q323 Y324 W325Q321-Q323 VanDerWaalsContact C-N 3.34Å; Q321-Q323 PolarHBondContact O-N 2.95Å; Q321-Y324 PolarHBondContact O-N 3.09Å; Q321-W325 WeakPolarHBondContact O-CB 3.02Å; Q321-W325 PolarHBondContact O-N 2.93Å
322S63.3Low61.8Low63 Ų6397.1 Ų97.144%0.44153%0.526SS..Hα-helixtrans-68.2-34.4-176.866.90000112.3H319 T320 R326H319-S322 PolarHBondContact CD2-OG 3.15Å; H319-S322 PolarHBondContact O-OG 2.97Å; T320-S322 PolarHBondContact O-N 2.9Å; S322-R326 WeakPolarHBondContact O-CB 3.16Å; S322-R326 PolarHBondContact O-N 3.36Å
323Q63Low61.7Low56 Ų5695 Ų9526%0.26252%0.515SS..Hα-helixtrans-75.7-38.1177.4-68.9-170.1-9.900112.4H319 T320 Q321 R326 L327H319-Q323 PolarHBondContact O-N 2.02Å; T320-Q323 PolarHBondContact O-N 3.45Å; Q321-Q323 VanDerWaalsContact C-N 3.34Å; Q321-Q323 PolarHBondContact O-N 2.95Å; Q323-R326 PolarHBondContact O-N 3.42Å; Q323-L327 WeakPolarHBondContact O-CB 3.18Å; Q323-L327 PolarHBondContact O-N 3.31Å
324Y61.9Low62Low91 Ų9191.3 Ų91.336%0.35749%0.488SS..Hα-helixtrans-64-44.2173.2-83.2-104.1000111T320 Q321 R326 L327 S328T320-Y324 HydrophobicContact CG2-CD2 3.65Å; T320-Y324 HydrophobicContact CG2-CE2 3.27Å; T320-Y324 WeakPolarHBondContact O-CD2 3.39Å; T320-Y324 PolarHBondContact O-N 3.4Å; Q321-Y324 PolarHBondContact O-N 3.09Å; Y324-R326 VanDerWaalsContact C-N 3.34Å; Y324-R326 PolarHBondContact O-N 2.86Å; Y324-L327 WeakPolarHBondContact O-CB 3.43Å; Y324-L327 PolarHBondContact O-N 2.87Å; Y324-L327 VanDerWaalsContact O-N 3.12Å; Y324-S328 WeakPolarHBondContact O-CB 3.31Å; Y324-S328 PolarHBondContact O-N 3.27Å; Y324-S328 PolarHBondContact O-OG 3.49Å; Y324-S328 VanDerWaalsContact O-OG 3.06Å
325W65Low62.3Low177 Ų17790 Ų9067%0.6747%0.469SS*.Hα-helixtrans-61.7-40.9175.9-172.581.6000112.5Q321 L327 S328 K329Q321-W325 WeakPolarHBondContact O-CB 3.02Å; Q321-W325 PolarHBondContact O-N 2.93Å; W325-L327 VanDerWaalsContact C-N 3.32Å; W325-L327 PolarHBondContact O-N 3.44Å; W325-S328 PolarHBondContact O-N 3Å; W325-K329 HydrophobicContact CH2-CD 4.37Å; W325-K329 HydrophobicContact CZ3-CD 4.45Å; W325-K329 WeakPolarHBondContact O-CB 3.28Å; W325-K329 PolarHBondContact O-N 2.92Å
326R66.1Low62.7Low161 Ų16190 Ų9061%0.60847%0.473SS*.Hα-helixtrans-62.4-39.2173.6-173.7176.665.9177.80.6112S322 Q323 Y324 S330S322-R326 WeakPolarHBondContact O-CB 3.16Å; S322-R326 PolarHBondContact O-N 3.36Å; Q323-R326 PolarHBondContact O-N 3.42Å; Y324-R326 VanDerWaalsContact C-N 3.34Å; Y324-R326 PolarHBondContact O-N 2.86Å; R326-S330 PolarHBondContact O-N 2.83Å; R326-S330 VanDerWaalsContact O-N 3.1Å
327L61Low63.3Low31 Ų3186.7 Ų86.716%0.16244%0.439CS..Hα-helixtrans-66.1-50.1176-163.371.1000111L307 V308 L311 Q323 Y324 W325 K329 S330 T331L307-L327 HydrophobicContact CD1-CD1 4.35Å; L307-L327 HydrophobicContact CD2-CD1 3.5Å; L307-L327 VanDerWaalsContact CD2-CD1 3.5Å; L307-L327 HydrophobicContact CD2-CD2 4.33Å; L307-L327 HydrophobicContact CD2-CG 4.12Å; L307-L327 HydrophobicContact CG-CD1 3.84Å; L307-L327 HydrophobicContact CG-CD2 4.32Å; V308-L327 HydrophobicContact CG2-CD2 4.44Å; L311-L327 HydrophobicContact CD1-CD1 3.81Å; L311-L327 HydrophobicContact CD1-CD2 3.7Å; L311-L327 HydrophobicContact CD1-CG 4.39Å; Q323-L327 WeakPolarHBondContact O-CB 3.18Å; Q323-L327 PolarHBondContact O-N 3.31Å; Y324-L327 WeakPolarHBondContact O-CB 3.43Å; Y324-L327 PolarHBondContact O-N 2.87Å; Y324-L327 VanDerWaalsContact O-N 3.12Å; W325-L327 VanDerWaalsContact C-N 3.32Å; W325-L327 PolarHBondContact O-N 3.44Å; L327-K329 PolarHBondContact O-N 2.85Å; L327-S330 CarbonylContact O-C 3.57Å; L327-S330 WeakPolarHBondContact O-CA 3.06Å; L327-S330 WeakPolarHBondContact O-CB 3.11Å; L327-S330 PolarHBondContact O-N 3.43Å; L327-T331 WeakPolarHBondContact O-CB 3.06Å; L327-T331 PolarHBondContact O-N 2.88Å; L327-T331 PolarHBondContact O-OG1 2.91Å; L327-T331 VanDerWaalsContact O-OG1 3.05Å
328S60.9Low64Low74 Ų7481.6 Ų81.652%0.51740%0.403SS..Hα-helixtrans-55.5-41176.2-61.80000111.5Y324 W325 T331 L332Y324-S328 WeakPolarHBondContact O-CB 3.31Å; Y324-S328 PolarHBondContact O-N 3.27Å; Y324-S328 PolarHBondContact O-OG 3.49Å; Y324-S328 VanDerWaalsContact O-OG 3.06Å; W325-S328 PolarHBondContact O-N 3Å; S328-T331 PolarHBondContact O-N 3.4Å; S328-L332 WeakPolarHBondContact O-CB 3.44Å; S328-L332 PolarHBondContact O-N 2.82Å
329K70.5Confident64.5Low108 Ų10873.8 Ų73.847%0.4736%0.362SS..Hα-helixtrans-63.1-45174.9-174.6170.1-178.4170.40111.9W325 L327 L332 F333W325-K329 HydrophobicContact CH2-CD 4.37Å; W325-K329 HydrophobicContact CZ3-CD 4.45Å; W325-K329 WeakPolarHBondContact O-CB 3.28Å; W325-K329 PolarHBondContact O-N 2.92Å; L327-K329 PolarHBondContact O-N 2.85Å; K329-L332 PolarHBondContact O-N 3.15Å; K329-F333 HydrophobicContact CD-CE2 4.47Å; K329-F333 HydrophobicContact CG-CD2 4.29Å; K329-F333 HydrophobicContact CG-CE2 3.7Å; K329-F333 WeakPolarHBondContact O-CD2 3.26Å; K329-F333 PolarHBondContact O-N 3.48Å
330S65.5Low64.9Low71 Ų7168 Ų6850%0.49734%0.336SS..Hα-helixtrans-65-38.8176-167.70000112.6R326 L327 L334R326-S330 PolarHBondContact O-N 2.83Å; R326-S330 VanDerWaalsContact O-N 3.1Å; L327-S330 CarbonylContact O-C 3.57Å; L327-S330 WeakPolarHBondContact O-CA 3.06Å; L327-S330 WeakPolarHBondContact O-CB 3.11Å; L327-S330 PolarHBondContact O-N 3.43Å; S330-L334 PolarHBondContact O-N 3.06Å
331T66.9Low65.5Low22 Ų2266.4 Ų66.414%0.13532%0.324CS..Hα-helixtrans-71.5-36.8178.1-58.40000111.6F300 I304 L327 S328 F333 L334 I335F300-T331 HydrophobicContact CE2-CG2 3.95Å; F300-T331 HydrophobicContact CZ-CG2 3.73Å; I304-T331 HydrophobicContact CD1-CG2 3.74Å; I304-T331 HydrophobicContact CG1-CG2 3.94Å; L327-T331 WeakPolarHBondContact O-CB 3.06Å; L327-T331 PolarHBondContact O-N 2.88Å; L327-T331 PolarHBondContact O-OG1 2.91Å; L327-T331 VanDerWaalsContact O-OG1 3.05Å; S328-T331 PolarHBondContact O-N 3.4Å; T331-F333 VanDerWaalsContact C-N 3.28Å; T331-F333 PolarHBondContact O-N 2.88Å; T331-L334 WeakPolarHBondContact O-CA 3.03Å; T331-L334 WeakPolarHBondContact O-CB 3.42Å; T331-L334 PolarHBondContact O-N 3.12Å; T331-I335 PolarHBondContact O-N 2.95Å
332L66.8Low66.1Low109 Ų10959.8 Ų59.857%0.57129%0.292SS*.Hα-helixtrans-59.3-40.9175.8-179.665000111.1S328 K329 L334 I335 P336S328-L332 WeakPolarHBondContact O-CB 3.44Å; S328-L332 PolarHBondContact O-N 2.82Å; K329-L332 PolarHBondContact O-N 3.15Å; L332-L334 PolarHBondContact O-N 3.01Å; L332-I335 HydrophobicContact CD1-CD1 4.18Å; L332-I335 WeakPolarHBondContact O-CB 3.08Å; L332-I335 PolarHBondContact O-N 3.24Å; L332-P336 WeakPolarHBondContact O-CD 3.48Å
333F68.1Low66.3Low87 Ų8758.2 Ų58.238%0.38228%0.278SS..Hα-helixtrans-69-23174.4-70.5-56.4000113.7K329 T331 I335 L375K329-F333 HydrophobicContact CD-CE2 4.47Å; K329-F333 HydrophobicContact CG-CD2 4.29Å; K329-F333 HydrophobicContact CG-CE2 3.7Å; K329-F333 WeakPolarHBondContact O-CD2 3.26Å; K329-F333 PolarHBondContact O-N 3.48Å; T331-F333 VanDerWaalsContact C-N 3.28Å; T331-F333 PolarHBondContact O-N 2.88Å; F333-I335 VanDerWaalsContact C-N 3.34Å; F333-L375 HydrophobicContact CB-CD1 3.77Å; F333-L375 HydrophobicContact CB-CD2 3.98Å; F333-L375 HydrophobicContact CD2-CD2 4.39Å; F333-L375 HydrophobicContact CG-CD2 4.17Å
334L68.8Low66.6Low33 Ų3360.3 Ų60.317%0.17329%0.29CS..Hα-helixtrans-77.1-19.3173.9-12065.4000112.5F300 S330 T331 L332 L337 F338F300-L334 HydrophobicContact CE2-CB 4.16Å; S330-L334 PolarHBondContact O-N 3.06Å; T331-L334 WeakPolarHBondContact O-CA 3.03Å; T331-L334 WeakPolarHBondContact O-CB 3.42Å; T331-L334 PolarHBondContact O-N 3.12Å; L332-L334 PolarHBondContact O-N 3.01Å; L334-L337 HydrophobicContact CD1-CD2 4.03Å; L334-L337 HydrophobicContact CG-CD2 4.22Å; L334-L337 WeakPolarHBondContact O-CB 3.07Å; L334-L337 PolarHBondContact O-N 3.29Å; L334-F338 HydrophobicContact CB-CD2 4.33Å; L334-F338 HydrophobicContact CB-CE2 4.07Å; L334-F338 HydrophobicContact CD2-CE2 3.56Å; L334-F338 HydrophobicContact CD2-CZ 4.21Å; L334-F338 HydrophobicContact CG-CD2 4.18Å; L334-F338 HydrophobicContact CG-CE2 3.5Å; L334-F338 VanDerWaalsContact CG-CE2 3.5Å; L334-F338 HydrophobicContact CG-CZ 4.22Å; L334-F338 WeakPolarHBondContact O-CD2 3.19Å; L334-F338 PolarHBondContact O-N 3.02Å; L334-F338 VanDerWaalsContact O-N 3.12Å
335I66.8Low66.7Low56 Ų5657.3 Ų57.329%0.28728%0.279SS..Hα-helixtrans-67.6-50.4-178.9-66.9172.3000112F300 T331 L332 F333 L337 F338 I340F300-I335 HydrophobicContact CE1-CG1 4.28Å; F300-I335 HydrophobicContact CE2-CG1 4.46Å; F300-I335 HydrophobicContact CZ-CD1 4.48Å; F300-I335 HydrophobicContact CZ-CG1 3.66Å; T331-I335 PolarHBondContact O-N 2.95Å; L332-I335 HydrophobicContact CD1-CD1 4.18Å; L332-I335 WeakPolarHBondContact O-CB 3.08Å; L332-I335 PolarHBondContact O-N 3.24Å; F333-I335 VanDerWaalsContact C-N 3.34Å; I335-L337 PolarHBondContact O-N 3.41Å; I335-F338 PolarHBondContact O-N 3.35Å; I335-I340 HydrophobicContact CB-CD1 4.46Å; I335-I340 HydrophobicContact CG1-CD1 4.33Å; I335-I340 HydrophobicContact CG2-CB 3.94Å; I335-I340 HydrophobicContact CG2-CD1 4.31Å; I335-I340 HydrophobicContact CG2-CG2 4.19Å; I335-I340 PolarHBondContact O-N 3.22Å
336P60.2Low66.9Low40 Ų4051 Ų5126%0.2626%0.258SS..Hα-helixtrans-58.4-36.8171.5-24.332.8000112.1L332 F338 G339 Q368L332-P336 WeakPolarHBondContact O-CD 3.48Å; P336-F338 PolarHBondContact O-N 3.27Å; P336-G339 PolarHBondContact O-N 3.03Å; P336-Q368 PolarHBondContact O-NE2 3.23Å
337L66Low66.9Low1 Ų151 Ų511%0.00526%0.263CS..Hα-helixtrans-60.7-47.2-176.9-178.373.4000112.1L220 L334 I335 G339 Q368 V372 Y376L220-L337 WeakPolarHBondContact CD2-O 3.4Å; L334-L337 HydrophobicContact CD1-CD2 4.03Å; L334-L337 HydrophobicContact CG-CD2 4.22Å; L334-L337 WeakPolarHBondContact O-CB 3.07Å; L334-L337 PolarHBondContact O-N 3.29Å; I335-L337 PolarHBondContact O-N 3.41Å; L337-G339 PolarHBondContact O-N 3.1Å; L337-Q368 PolarHBondContact O-NE2 3.04Å; L337-V372 HydrophobicContact CD1-CB 4.03Å; L337-V372 HydrophobicContact CD1-CG1 3.8Å; L337-V372 HydrophobicContact CD1-CG2 3.23Å; L337-Y376 HydrophobicContact CD1-CE2 3.91Å; L337-Y376 HydrophobicContact CD2-CE2 3.61Å; L337-Y376 WeakPolarHBondContact CD2-OH 3.06Å; L337-Y376 HydrophobicContact CG-CE2 4.41Å
338F67.3Low67Low2 Ų252.9 Ų52.91%0.00927%0.273CS..THydrogen-bonded Turntrans-80.67.8-178.5-67.1-60.7000114.4A224 L227 N296 F300 I303 L334 I335 P336 I340A224-F338 HydrophobicContact CB-CD1 4.05Å; A224-F338 HydrophobicContact CB-CE1 3.72Å; L227-F338 HydrophobicContact CD2-CZ 4.44Å; N296-F338 WeakPolarHBondContact ND2-CA 3.4Å; N296-F338 PolarHBondContact ND2-O 3.38Å; N296-F338 WeakPolarHBondContact OD1-CD1 3.5Å; F300-F338 HydrophobicContact CB-CD2 4.22Å; F300-F338 AromaticContact CD2-CD2 3.38Å; F300-F338 HydrophobicContact CD2-CD2 3.38Å; F300-F338 AromaticContact CD2-CE2 3.56Å; F300-F338 HydrophobicContact CD2-CE2 3.56Å; F300-F338 HydrophobicContact CD2-CG 4.44Å; F300-F338 AromaticContact CE2-CD2 3.99Å; F300-F338 HydrophobicContact CE2-CD2 3.99Å; F300-F338 HydrophobicContact CE2-CE2 4.19Å; F300-F338 HydrophobicContact CG-CD2 4.1Å; I303-F338 HydrophobicContact CD1-CZ 4.38Å; L334-F338 HydrophobicContact CB-CD2 4.33Å; L334-F338 HydrophobicContact CB-CE2 4.07Å; L334-F338 HydrophobicContact CD2-CE2 3.56Å; L334-F338 HydrophobicContact CD2-CZ 4.21Å; L334-F338 HydrophobicContact CG-CD2 4.18Å; L334-F338 HydrophobicContact CG-CE2 3.5Å; L334-F338 VanDerWaalsContact CG-CE2 3.5Å; L334-F338 HydrophobicContact CG-CZ 4.22Å; L334-F338 WeakPolarHBondContact O-CD2 3.19Å; L334-F338 PolarHBondContact O-N 3.02Å; L334-F338 VanDerWaalsContact O-N 3.12Å; I335-F338 PolarHBondContact O-N 3.35Å; P336-F338 PolarHBondContact O-N 3.27Å; F338-I340 HydrophobicContact CB-CD1 4.24Å; F338-I340 HydrophobicContact CB-CG1 3.97Å; F338-I340 PolarHBondContact O-N 3.04Å
339G66.3Low66.8Low0 Ų053.1 Ų53.10%027%0.272CS..THydrogen-bonded Turntrans6821.7179.900000113.3P336 L337 H341 Y342P336-G339 PolarHBondContact O-N 3.03Å; L337-G339 PolarHBondContact O-N 3.1Å; G339-H341 PolarHBondContact O-N 2.7Å; G339-Y342 WeakPolarHBondContact O-CB 3.25Å; G339-Y342 PolarHBondContact O-N 3.14Å
340I69.1Low66.3Low12 Ų1253.3 Ų53.36%0.06228%0.279CS..Hα-helixtrans-63.9-29.4-177.2-60.7177.4000111.2F297 F300 I335 F338 Y342 I343 I344F297-I340 HydrophobicContact CD2-CD1 4.17Å; F297-I340 HydrophobicContact CD2-CG1 4.19Å; F297-I340 HydrophobicContact CD2-CG2 4.01Å; F297-I340 HydrophobicContact CE2-CG2 4.17Å; F300-I340 HydrophobicContact CB-CD1 4.32Å; F300-I340 HydrophobicContact CD1-CD1 3.31Å; F300-I340 HydrophobicContact CD2-CD1 4.17Å; F300-I340 HydrophobicContact CE1-CD1 3.4Å; F300-I340 VanDerWaalsContact CE1-CD1 3.4Å; F300-I340 HydrophobicContact CE2-CD1 4.25Å; F300-I340 HydrophobicContact CG-CD1 3.68Å; F300-I340 HydrophobicContact CZ-CD1 3.86Å; I335-I340 HydrophobicContact CB-CD1 4.46Å; I335-I340 HydrophobicContact CG1-CD1 4.33Å; I335-I340 HydrophobicContact CG2-CB 3.94Å; I335-I340 HydrophobicContact CG2-CD1 4.31Å; I335-I340 HydrophobicContact CG2-CG2 4.19Å; I335-I340 PolarHBondContact O-N 3.22Å; F338-I340 HydrophobicContact CB-CD1 4.24Å; F338-I340 HydrophobicContact CB-CG1 3.97Å; F338-I340 PolarHBondContact O-N 3.04Å; I340-Y342 PolarHBondContact O-N 2.69Å; I340-I343 WeakPolarHBondContact O-CB 3.45Å; I340-I343 PolarHBondContact O-N 3.48Å; I340-I344 PolarHBondContact O-N 2.89Å
341H73.3Confident65.8Low24 Ų2457.5 Ų57.511%0.11130%0.295CS..Hα-helixtrans-55.8-33.6172.662.9-87.3000111.8G339 I343 I344 F345G339-H341 PolarHBondContact O-N 2.7Å; H341-I343 PolarHBondContact O-N 3.34Å; H341-I344 PolarHBondContact O-N 2.93Å; H341-F345 HydrophobicContact CB-CE2 4.45Å; H341-F345 WeakPolarHBondContact O-CD2 3.18Å; H341-F345 PolarHBondContact O-N 3.37Å
342Y70.9Confident65.1Low37 Ų3759.4 Ų59.415%0.14531%0.314CS..Hα-helixtrans-63.7-37.5176.4-165.5-95.1000112.4F217 I289 V290 V293 G339 I340 F345 N346 E361F217-Y342 HydrophobicContact CZ-CD2 4.26Å; F217-Y342 HydrophobicContact CZ-CG 4.44Å; I289-Y342 HydrophobicContact CG2-CE1 4.22Å; V290-Y342 HydrophobicContact CG2-CE1 4.48Å; V293-Y342 HydrophobicContact CB-CD1 4.47Å; V293-Y342 HydrophobicContact CG1-CD1 4.21Å; V293-Y342 HydrophobicContact CG2-CD1 4.02Å; G339-Y342 WeakPolarHBondContact O-CB 3.25Å; G339-Y342 PolarHBondContact O-N 3.14Å; I340-Y342 PolarHBondContact O-N 2.69Å; Y342-F345 PolarHBondContact O-N 2.89Å; Y342-N346 HydrophobicContact CE1-CB 4.47Å; Y342-N346 WeakPolarHBondContact O-CB 3.49Å; Y342-N346 PolarHBondContact O-N 2.73Å; Y342-E361 WeakPolarHBondContact CD2-OE1 3.36Å; Y342-E361 WeakPolarHBondContact CE2-OE1 3.38Å
343I67.9Low64.7Low31 Ų3155.9 Ų55.916%0.15930%0.304CS..Hα-helixtrans-62.8-48.3175.6-63.5-174.2000110.4V293 F297 I340 H341 F345 N346 F347V293-I343 HydrophobicContact CG1-CD1 3.78Å; V293-I343 HydrophobicContact CG1-CG1 3.24Å; F297-I343 HydrophobicContact CB-CD1 3.33Å; F297-I343 HydrophobicContact CD1-CD1 4.31Å; F297-I343 HydrophobicContact CD2-CD1 4.1Å; F297-I343 HydrophobicContact CG-CD1 3.68Å; I340-I343 WeakPolarHBondContact O-CB 3.45Å; I340-I343 PolarHBondContact O-N 3.48Å; H341-I343 PolarHBondContact O-N 3.34Å; I343-F345 PolarHBondContact O-N 3.2Å; I343-N346 PolarHBondContact O-N 2.05Å; I343-F347 HydrophobicContact CG2-CD2 3.64Å; I343-F347 HydrophobicContact CG2-CE2 3.85Å; I343-F347 WeakPolarHBondContact O-CD2 3.42Å; I343-F347 PolarHBondContact O-N 3.46Å; I343-F347 VanDerWaalsContact O-N 3.14Å
344I68.6Low64.3Low99 Ų9957.2 Ų57.251%0.50831%0.314SS..Hα-helixtrans-57.1-44.5-176.6-62.4172.6000109.5I340 H341 L348I340-I344 PolarHBondContact O-N 2.89Å; H341-I344 PolarHBondContact O-N 2.93Å; I344-L348 HydrophobicContact CG2-CD1 4.09Å; I344-L348 VanDerWaalsContact O-CD1 3.22Å; I344-L348 WeakPolarHBondContact O-CD1 3.32Å; I344-L348 WeakPolarHBondContact O-CG 3.35Å; I344-L348 PolarHBondContact O-N 3.15Å
345F65.6Low64Low29 Ų2957.8 Ų57.813%0.12733%0.328CS..Hα-helixtrans-77-32.5179.8-67.1-58.6000114.3H341 Y342 I343 F347 L348 R357 L360H341-F345 HydrophobicContact CB-CE2 4.45Å; H341-F345 WeakPolarHBondContact O-CD2 3.18Å; H341-F345 PolarHBondContact O-N 3.37Å; Y342-F345 PolarHBondContact O-N 2.89Å; I343-F345 PolarHBondContact O-N 3.2Å; F345-F347 PolarHBondContact O-N 3.37Å; F345-L348 HydrophobicContact CD1-CD1 3.97Å; F345-L348 HydrophobicContact CE1-CD1 4.43Å; F345-L348 PolarHBondContact O-N 2.64Å; F345-R357 HydrophobicContact CB-CG 3.95Å; F345-R357 HydrophobicContact CD1-CB 4.17Å; F345-R357 HydrophobicContact CD1-CG 3.82Å; F345-R357 HydrophobicContact CG-CG 4.01Å; F345-R357 PolarHBondContact O-NE 3.25Å; F345-R357 PolarHBondContact O-NH1 2.96Å; F345-R357 PolarHBondContact O-NH2 2.93Å; F345-L360 HydrophobicContact CE1-CD1 4.15Å; F345-L360 HydrophobicContact CE2-CB 4.15Å; F345-L360 HydrophobicContact CZ-CB 3.82Å; F345-L360 HydrophobicContact CZ-CD1 3.68Å; F345-L360 HydrophobicContact CZ-CG 4.42Å
346N67.6Low64Low43 Ų4360.7 Ų60.723%0.2334%0.343CS..Hα-helixtrans-70.1-29.9179.7-160.3-82.5000113.2Y342 I343Y342-N346 HydrophobicContact CE1-CB 4.47Å; Y342-N346 WeakPolarHBondContact O-CB 3.49Å; Y342-N346 PolarHBondContact O-N 2.73Å; I343-N346 PolarHBondContact O-N 2.05Å
347F67.1Low64.4Low161 Ų16161 Ų6171%0.70634%0.339SS*.SBendtrans-94.5-5178.1-73.7-77.5000114.3I343 F345I343-F347 HydrophobicContact CG2-CD2 3.64Å; I343-F347 HydrophobicContact CG2-CE2 3.85Å; I343-F347 WeakPolarHBondContact O-CD2 3.42Å; I343-F347 PolarHBondContact O-N 3.46Å; I343-F347 VanDerWaalsContact O-N 3.14Å; F345-F347 PolarHBondContact O-N 3.37Å
348L62.6Low64.5Low71 Ų7163.7 Ų63.737%0.37235%0.353SS..SBendtrans-75.8133171.5-82161.6000109.1I344 F345 D350I344-L348 HydrophobicContact CG2-CD1 4.09Å; I344-L348 VanDerWaalsContact O-CD1 3.22Å; I344-L348 WeakPolarHBondContact O-CD1 3.32Å; I344-L348 WeakPolarHBondContact O-CG 3.35Å; I344-L348 PolarHBondContact O-N 3.15Å; F345-L348 HydrophobicContact CD1-CD1 3.97Å; F345-L348 HydrophobicContact CE1-CD1 4.43Å; F345-L348 PolarHBondContact O-N 2.64Å; L348-D350 PolarHBondContact O-N 3.47Å
349P56.9Low64.6Low79 Ų7965.3 Ų65.351%0.51336%0.364SS..  trans-61.1136.8179.924.2-31.6000110.4N351 A352P349-N351 PolarHBondContact O-N 3.47Å; P349-A352 HydrophobicContact CG-CB 4.13Å; P349-A352 PolarHBondContact O-N 2.82Å
350D59.4Low65Low112 Ų11268.7 Ų68.760%0.59938%0.381SS*.THydrogen-bonded Turntrans-56.9-24.7-173.4-63.4-44.4000113.2L348 A352 R357L348-D350 PolarHBondContact O-N 3.47Å; D350-A352 PolarHBondContact O-N 3.47Å; D350-R357 IonicContact OD1-NH1 3.15Å; D350-R357 PolarHBondContact OD1-NH1 3.17Å
351N55.7Low65.3Low159 Ų15970.4 Ų70.485%0.8539%0.389SS*.THydrogen-bonded Turntrans-72-16.3179.9-28.318.1000112.8P349P349-N351 PolarHBondContact O-N 3.47Å
352A51.9Low65.5Low63 Ų6372 Ų7252%0.52140%0.398SS..THydrogen-bonded Turntrans-115.883.1-173.900000110.7P349 D350P349-A352 HydrophobicContact CG-CB 4.13Å; P349-A352 PolarHBondContact O-N 2.82Å; D350-A352 PolarHBondContact O-N 3.47Å
353G57.8Low65.9Low35 Ų3570.7 Ų70.736%0.36140%0.395SS..THydrogen-bonded Turntrans99.730.4162.400000116.5G355 I356 R357G353-G355 PolarHBondContact O-N 2.02Å; G353-I356 PolarHBondContact O-N 3.15Å; G353-R357 WeakPolarHBondContact O-CB 3.46Å; G353-R357 PolarHBondContact O-N 3.14Å
354L59.7Low66.5Low115 Ų11573.4 Ų73.460%0.60241%0.41SS*.Hα-helixtrans-48.4-41171.6-158.277.5000112I356 R357 L358L354-I356 VanDerWaalsContact C-N 3.29Å; L354-I356 PolarHBondContact O-N 3.23Å; L354-R357 PolarHBondContact O-N 3.45Å; L354-L358 PolarHBondContact O-N 2.62Å
355G62.6Low67.2Low45 Ų4569 Ų6946%0.46439%0.389SS..Hα-helixtrans-66.3-19177.900000116Y125 G353 P359Y125-G355 WeakPolarHBondContact CE2-O 3.37Å; Y125-G355 WeakPolarHBondContact OH-CA 3.44Å; Y125-G355 PolarHBondContact OH-O 3.02Å; G353-G355 PolarHBondContact O-N 2.02Å; G355-P359 WeakPolarHBondContact O-CD 3.32Å; G355-P359 WeakPolarHBondContact O-CG 3.26Å
356I66.8Low68.3Low116 Ų11667.7 Ų67.760%0.59538%0.383SS*.Hα-helixtrans-105.1-32.2177-60.6170000110.3G353 L354 L360G353-I356 PolarHBondContact O-N 3.15Å; L354-I356 VanDerWaalsContact C-N 3.29Å; L354-I356 PolarHBondContact O-N 3.23Å; I356-L360 HydrophobicContact CG2-CD1 3.51Å; I356-L360 HydrophobicContact CG2-CG 4.07Å; I356-L360 WeakPolarHBondContact O-CB 3.48Å; I356-L360 VanDerWaalsContact O-CG 3.22Å; I356-L360 WeakPolarHBondContact O-CG 3.46Å; I356-L360 PolarHBondContact O-N 3.16Å; I356-L360 VanDerWaalsContact O-N 3.15Å
357R68.6Low69.3Low46 Ų4668.7 Ų68.717%0.17439%0.386CS..Hα-helixtrans-60.2-49.3-179.9176.7173.8174-174.80.3111.8F345 D350 G353 L354 L360 E361F345-R357 HydrophobicContact CB-CG 3.95Å; F345-R357 HydrophobicContact CD1-CB 4.17Å; F345-R357 HydrophobicContact CD1-CG 3.82Å; F345-R357 HydrophobicContact CG-CG 4.01Å; F345-R357 PolarHBondContact O-NE 3.25Å; F345-R357 PolarHBondContact O-NH1 2.96Å; F345-R357 PolarHBondContact O-NH2 2.93Å; D350-R357 IonicContact OD1-NH1 3.15Å; D350-R357 PolarHBondContact OD1-NH1 3.17Å; G353-R357 WeakPolarHBondContact O-CB 3.46Å; G353-R357 PolarHBondContact O-N 3.14Å; L354-R357 PolarHBondContact O-N 3.45Å; R357-L360 PolarHBondContact O-N 2.97Å; R357-E361 IonicContact NE-OE2 2.69Å; R357-E361 WeakPolarHBondContact O-CB 3.36Å; R357-E361 PolarHBondContact O-N 2.82Å
358L68.5Low70.4Confident59 Ų5961.3 Ų61.331%0.30935%0.353SS..Hα-helixtrans-63.6-50.1-175.1-174.479.3000112.3Y125 F126 L354 L360 E361 L362Y125-L358 HydrophobicContact CE1-CD2 4.09Å; F126-L358 HydrophobicContact CD1-CD2 4.4Å; F126-L358 HydrophobicContact CE1-CD2 3.9Å; L354-L358 PolarHBondContact O-N 2.62Å; L358-L360 VanDerWaalsContact C-N 3.32Å; L358-L360 PolarHBondContact O-N 3.31Å; L358-E361 PolarHBondContact O-N 3.08Å; L358-L362 HydrophobicContact CD1-CD1 3.25Å; L358-L362 HydrophobicContact CG-CD1 3.66Å; L358-L362 WeakPolarHBondContact O-CD1 3.13Å; L358-L362 PolarHBondContact O-N 2.87Å
359P70.8Confident71.8Confident36 Ų3658 Ų5823%0.23434%0.336CS..Hα-helixtrans-61.6-37.6174.8-20.425000113.1Y125 V129 G355 G363Y125-P359 HydrophobicContact CE2-CG 3.93Å; Y125-P359 WeakPolarHBondContact OH-CD 3.39Å; V129-P359 HydrophobicContact CG2-CB 4.19Å; V129-P359 HydrophobicContact CG2-CG 3.83Å; G355-P359 WeakPolarHBondContact O-CD 3.32Å; G355-P359 WeakPolarHBondContact O-CG 3.26Å; P359-G363 WeakPolarHBondContact O-CA 3.31Å; P359-G363 PolarHBondContact O-N 2.89Å
360L73.3Confident73.5Confident70 Ų7057.5 Ų57.537%0.36633%0.326SS..Hα-helixtrans-70.6-42.3178.2-73.8178.9000111.7F345 I356 R357 L358 L364F345-L360 HydrophobicContact CE1-CD1 4.15Å; F345-L360 HydrophobicContact CE2-CB 4.15Å; F345-L360 HydrophobicContact CZ-CB 3.82Å; F345-L360 HydrophobicContact CZ-CD1 3.68Å; F345-L360 HydrophobicContact CZ-CG 4.42Å; I356-L360 HydrophobicContact CG2-CD1 3.51Å; I356-L360 HydrophobicContact CG2-CG 4.07Å; I356-L360 WeakPolarHBondContact O-CB 3.48Å; I356-L360 VanDerWaalsContact O-CG 3.22Å; I356-L360 WeakPolarHBondContact O-CG 3.46Å; I356-L360 PolarHBondContact O-N 3.16Å; I356-L360 VanDerWaalsContact O-N 3.15Å; R357-L360 PolarHBondContact O-N 2.97Å; L358-L360 VanDerWaalsContact C-N 3.32Å; L358-L360 PolarHBondContact O-N 3.31Å; L360-L364 HydrophobicContact CD2-CD1 4.49Å; L360-L364 WeakPolarHBondContact O-CB 3.48Å; L360-L364 WeakPolarHBondContact O-CG 3.48Å; L360-L364 PolarHBondContact O-N 3.02Å
361E75Confident74.9Confident48 Ų4854.5 Ų54.522%0.22431%0.31CS..Hα-helixtrans-69.2-51.2-178.7-172175.9155.800111.4Y342 R357 L358 G365Y342-E361 WeakPolarHBondContact CD2-OE1 3.36Å; Y342-E361 WeakPolarHBondContact CE2-OE1 3.38Å; R357-E361 IonicContact NE-OE2 2.69Å; R357-E361 WeakPolarHBondContact O-CB 3.36Å; R357-E361 PolarHBondContact O-N 2.82Å; L358-E361 PolarHBondContact O-N 3.08Å; E361-G365 WeakPolarHBondContact O-CA 3.47Å; E361-G365 PolarHBondContact O-N 3.5Å
362L78.1Confident76.6Confident59 Ų5946.9 Ų46.931%0.30927%0.269SS..Hα-helixtrans-70.2-42.3177.2-78.393.3000111.5V129 Y133 L358 S366V129-L362 HydrophobicContact CG1-CD2 4.49Å; Y133-L362 HydrophobicContact CD1-CB 4.47Å; Y133-L362 HydrophobicContact CD1-CD2 3.68Å; Y133-L362 HydrophobicContact CE1-CD2 4.04Å; Y133-L362 HydrophobicContact CG-CD2 4.34Å; L358-L362 HydrophobicContact CD1-CD1 3.25Å; L358-L362 HydrophobicContact CG-CD1 3.66Å; L358-L362 WeakPolarHBondContact O-CD1 3.13Å; L358-L362 PolarHBondContact O-N 2.87Å; L362-S366 VanDerWaalsContact O-CB 3.22Å; L362-S366 WeakPolarHBondContact O-CB 3.44Å; L362-S366 PolarHBondContact O-N 2.85Å; L362-S366 PolarHBondContact O-OG 3.32Å
363G80Confident78.5Confident8 Ų843.9 Ų43.98%0.08224%0.244CC..Hα-helixtrans-60.4-61.5177.900000111.3P359 G365 S366 F367P359-G363 WeakPolarHBondContact O-CA 3.31Å; P359-G363 PolarHBondContact O-N 2.89Å; G363-G365 VanDerWaalsContact C-N 3.28Å; G363-G365 PolarHBondContact O-N 3.43Å; G363-S366 PolarHBondContact O-N 3.36Å; G363-S366 VanDerWaalsContact O-N 3.12Å; G363-S366 PolarHBondContact O-OG 3.23Å; G363-F367 WeakPolarHBondContact O-CD2 3.25Å; G363-F367 PolarHBondContact O-N 2.58Å
364L79.4Confident80.1Confident88 Ų8844.6 Ų44.646%0.46124%0.239SC..Hα-helixtrans-62.1-37179.8-63.9172.3000112L360 S366 F367 Q368L360-L364 HydrophobicContact CD2-CD1 4.49Å; L360-L364 WeakPolarHBondContact O-CB 3.48Å; L360-L364 WeakPolarHBondContact O-CG 3.48Å; L360-L364 PolarHBondContact O-N 3.02Å; L364-S366 VanDerWaalsContact C-N 3.33Å; L364-S366 PolarHBondContact O-N 3.44Å; L364-F367 PolarHBondContact O-N 2.89Å; L364-Q368 PolarHBondContact O-N 3.44Å
365G83.5Confident81.4Confident7 Ų741 Ų417%0.07222%0.221CC..Hα-helixtrans-62.4-37.3175.500000113.1E361 G363 Q368E361-G365 WeakPolarHBondContact O-CA 3.47Å; E361-G365 PolarHBondContact O-N 3.5Å; G363-G365 VanDerWaalsContact C-N 3.28Å; G363-G365 PolarHBondContact O-N 3.43Å; G365-Q368 WeakPolarHBondContact O-CB 3.38Å; G365-Q368 PolarHBondContact O-N 3.39Å
366S88.2Confident82.6Confident1 Ų140.7 Ų40.71%0.00721%0.206CC..Hα-helixtrans-69.6-35.9179.473.10000113Y133 G136 S140 L362 G363 L364Y133-S366 WeakPolarHBondContact O-CB 3.47Å; G136-S366 CarbonylContact C-O 3.43Å; S140-S366 PolarHBondContact OG-O 3.23Å; L362-S366 VanDerWaalsContact O-CB 3.22Å; L362-S366 WeakPolarHBondContact O-CB 3.44Å; L362-S366 PolarHBondContact O-N 2.85Å; L362-S366 PolarHBondContact O-OG 3.32Å; G363-S366 PolarHBondContact O-N 3.36Å; G363-S366 VanDerWaalsContact O-N 3.12Å; G363-S366 PolarHBondContact O-OG 3.23Å; L364-S366 VanDerWaalsContact C-N 3.33Å; L364-S366 PolarHBondContact O-N 3.44Å
367F90Very high83.8Confident65 Ų6535.1 Ų35.129%0.28518%0.177SC..Hα-helixtrans-84.9-9.3176-69.6-76000113.8I139 G363 L364 G369 F370 I371I139-F367 HydrophobicContact CD1-CE1 4.2Å; G363-F367 WeakPolarHBondContact O-CD2 3.25Å; G363-F367 PolarHBondContact O-N 2.58Å; L364-F367 PolarHBondContact O-N 2.89Å; F367-G369 VanDerWaalsContact C-N 3.29Å; F367-G369 PolarHBondContact O-N 3.24Å; F367-F370 WeakPolarHBondContact O-CB 3.38Å; F367-F370 PolarHBondContact O-N 2.94Å; F367-F370 VanDerWaalsContact O-N 3.17Å; F367-I371 WeakPolarHBondContact O-CG1 3.36Å; F367-I371 PolarHBondContact O-N 3.36Å
368Q90.1Very high84.9Confident5 Ų536.1 Ų36.12%0.02318%0.183CC..Hα-helixtrans-54.9-46.8-178.5-171.6-178.7-10.400111F172 P336 L337 L364 G365 F370 I371 V372F172-Q368 HydrophobicContact CE1-CB 4.14Å; F172-Q368 HydrophobicContact CE1-CG 3.91Å; F172-Q368 HydrophobicContact CZ-CG 3.9Å; P336-Q368 PolarHBondContact O-NE2 3.23Å; L337-Q368 PolarHBondContact O-NE2 3.04Å; L364-Q368 PolarHBondContact O-N 3.44Å; G365-Q368 WeakPolarHBondContact O-CB 3.38Å; G365-Q368 PolarHBondContact O-N 3.39Å; Q368-F370 PolarHBondContact O-N 3.48Å; Q368-I371 PolarHBondContact O-N 3.48Å; Q368-V372 HydrophobicContact CG-CG2 4.35Å; Q368-V372 WeakPolarHBondContact O-CG2 3.47Å; Q368-V372 PolarHBondContact O-N 3.41Å
369G91.5Very high85.8Confident1 Ų137.4 Ų37.41%0.0119%0.189CC..Hα-helixtrans-58.1-43.2178.500000113.6F367 V372 A373F367-G369 VanDerWaalsContact C-N 3.29Å; F367-G369 PolarHBondContact O-N 3.24Å; G369-V372 WeakPolarHBondContact O-CB 3.25Å; G369-V372 PolarHBondContact O-N 3.08Å; G369-A373 PolarHBondContact O-N 2.95Å
370F92.4Very high86.7Confident70 Ų7037.4 Ų37.431%0.30719%0.187SC..Hα-helixtrans-60.7-46.5174.4175.6-111.9000112.3I139 S140 A143 F367 Q368 V372 A373 I374I139-F370 HydrophobicContact CG2-CB 4.41Å; I139-F370 HydrophobicContact CG2-CD2 3.6Å; I139-F370 HydrophobicContact CG2-CE2 3.88Å; I139-F370 HydrophobicContact CG2-CG 3.96Å; I139-F370 HydrophobicContact CG2-CZ 4.43Å; S140-F370 WeakPolarHBondContact OG-CB 3.44Å; S140-F370 PolarHBondContact OG-N 2.99Å; A143-F370 HydrophobicContact CB-CD2 3.67Å; A143-F370 HydrophobicContact CB-CE2 4.27Å; F367-F370 WeakPolarHBondContact O-CB 3.38Å; F367-F370 PolarHBondContact O-N 2.94Å; F367-F370 VanDerWaalsContact O-N 3.17Å; Q368-F370 PolarHBondContact O-N 3.48Å; F370-V372 VanDerWaalsContact C-N 3.31Å; F370-V372 PolarHBondContact O-N 2.84Å; F370-A373 PolarHBondContact O-N 2.6Å; F370-I374 HydrophobicContact CD1-CD1 3.94Å; F370-I374 HydrophobicContact CD2-CD1 4.35Å; F370-I374 HydrophobicContact CE1-CD1 3.39Å; F370-I374 HydrophobicContact CE2-CD1 3.86Å; F370-I374 HydrophobicContact CE2-CG1 4.34Å; F370-I374 HydrophobicContact CG-CD1 4.4Å; F370-I374 HydrophobicContact CZ-CD1 3.37Å; F370-I374 HydrophobicContact CZ-CG1 4.31Å; F370-I374 WeakPolarHBondContact O-CG1 3.44Å; F370-I374 PolarHBondContact O-N 2.93Å
371I89.8Confident87.3Confident48 Ų4840.1 Ų40.125%0.24620%0.198CC..Hα-helixtrans-60.1-44.4176.8-64.9169.7000110.2F367 Q368 A373 I374 L375F367-I371 WeakPolarHBondContact O-CG1 3.36Å; F367-I371 PolarHBondContact O-N 3.36Å; Q368-I371 PolarHBondContact O-N 3.48Å; I371-A373 PolarHBondContact O-N 2.78Å; I371-I374 PolarHBondContact O-N 2.83Å; I371-L375 HydrophobicContact CG2-CD1 3.75Å; I371-L375 HydrophobicContact CG2-CG 4.38Å; I371-L375 VanDerWaalsContact O-CG 3.31Å; I371-L375 WeakPolarHBondContact O-CG 3.3Å; I371-L375 PolarHBondContact O-N 2.98Å
372V90.2Very high88Confident0 Ų040.3 Ų40.30%020%0.199CC..Hα-helixtrans-58.7-47.3177.1-174.50000111.1L168 F169 F172 L337 Q368 G369 F370 I374 L375 Y376L168-V372 HydrophobicContact CD2-CG1 4.24Å; F169-V372 HydrophobicContact CD1-CG1 4Å; F169-V372 HydrophobicContact CE1-CG1 3.47Å; F169-V372 VanDerWaalsContact CE1-CG1 3.47Å; F169-V372 HydrophobicContact CZ-CG1 4.46Å; F172-V372 HydrophobicContact CE2-CB 4.43Å; F172-V372 HydrophobicContact CE2-CG1 4.48Å; F172-V372 HydrophobicContact CE2-CG2 3.72Å; F172-V372 HydrophobicContact CZ-CG2 3.94Å; L337-V372 HydrophobicContact CD1-CB 4.03Å; L337-V372 HydrophobicContact CD1-CG1 3.8Å; L337-V372 HydrophobicContact CD1-CG2 3.23Å; Q368-V372 HydrophobicContact CG-CG2 4.35Å; Q368-V372 WeakPolarHBondContact O-CG2 3.47Å; Q368-V372 PolarHBondContact O-N 3.41Å; G369-V372 WeakPolarHBondContact O-CB 3.25Å; G369-V372 PolarHBondContact O-N 3.08Å; F370-V372 VanDerWaalsContact C-N 3.31Å; F370-V372 PolarHBondContact O-N 2.84Å; V372-I374 VanDerWaalsContact C-N 3.33Å; V372-I374 PolarHBondContact O-N 2.93Å; V372-L375 PolarHBondContact O-N 2.93Å; V372-Y376 HydrophobicContact CG1-CD2 3.51Å; V372-Y376 HydrophobicContact CG1-CE2 3.99Å; V372-Y376 PolarHBondContact O-N 2.64Å
373A92.5Very high88.5Confident0 Ų037.6 Ų37.60%019%0.185CC..Hα-helixtrans-60.9-41.6179.600000112A143 L144 A147 G369 F370 I371 C377 F378A143-A373 HydrophobicContact CB-CB 4.21Å; L144-A373 HydrophobicContact CD2-CB 4Å; L144-A373 HydrophobicContact CG-CB 4.43Å; A147-A373 HydrophobicContact CB-CB 4.23Å; G369-A373 PolarHBondContact O-N 2.95Å; F370-A373 PolarHBondContact O-N 2.6Å; I371-A373 PolarHBondContact O-N 2.78Å; A373-C377 WeakPolarHBondContact O-CA 3.48Å; A373-C377 VanDerWaalsContact O-CB 3.23Å; A373-C377 WeakPolarHBondContact O-CB 3.39Å; A373-C377 PolarHBondContact O-N 3.38Å; A373-F378 HydrophobicContact CB-CE2 4.23Å; A373-F378 PolarHBondContact O-N 3.39Å; A373-F378 VanDerWaalsContact O-N 3.13Å
374I91.1Very high89Confident49 Ų4943 Ų4325%0.25120%0.203SC..Iπ-helixtrans-60.1-50.5175-73.6175.4000110.9F370 I371 V372 F378 L379F370-I374 HydrophobicContact CD1-CD1 3.94Å; F370-I374 HydrophobicContact CD2-CD1 4.35Å; F370-I374 HydrophobicContact CE1-CD1 3.39Å; F370-I374 HydrophobicContact CE2-CD1 3.86Å; F370-I374 HydrophobicContact CE2-CG1 4.34Å; F370-I374 HydrophobicContact CG-CD1 4.4Å; F370-I374 HydrophobicContact CZ-CD1 3.37Å; F370-I374 HydrophobicContact CZ-CG1 4.31Å; F370-I374 WeakPolarHBondContact O-CG1 3.44Å; F370-I374 PolarHBondContact O-N 2.93Å; I371-I374 PolarHBondContact O-N 2.83Å; V372-I374 VanDerWaalsContact C-N 3.33Å; V372-I374 PolarHBondContact O-N 2.93Å; I374-F378 HydrophobicContact CG1-CD2 4.08Å; I374-F378 PolarHBondContact O-N 2.92Å; I374-L379 HydrophobicContact CG2-CD1 3.53Å; I374-L379 HydrophobicContact CG2-CG 3.65Å; I374-L379 VanDerWaalsContact O-CB 3.31Å; I374-L379 WeakPolarHBondContact O-CB 3.02Å; I374-L379 WeakPolarHBondContact O-CG 3.31Å; I374-L379 PolarHBondContact O-N 3.28Å
375L87.9Confident89.5Confident41 Ų4142.7 Ų42.722%0.21521%0.205CC..Iπ-helixtrans-70.8-47.3-172.8-65.8168.9000112.7F333 I371 V372 L379F333-L375 HydrophobicContact CB-CD1 3.77Å; F333-L375 HydrophobicContact CB-CD2 3.98Å; F333-L375 HydrophobicContact CD2-CD2 4.39Å; F333-L375 HydrophobicContact CG-CD2 4.17Å; I371-L375 HydrophobicContact CG2-CD1 3.75Å; I371-L375 HydrophobicContact CG2-CG 4.38Å; I371-L375 VanDerWaalsContact O-CG 3.31Å; I371-L375 WeakPolarHBondContact O-CG 3.3Å; I371-L375 PolarHBondContact O-N 2.98Å; V372-L375 PolarHBondContact O-N 2.93Å; L375-L379 HydrophobicContact CD2-CD1 4.48Å
376Y87.2Confident89.8Confident37 Ų3743.8 Ų43.815%0.14521%0.208CC..Iπ-helixtrans-89.9-21.7-172-70-44.2000114.5H165 F169 E223 L337 V372 N380H165-Y376 AromaticContact CE1-CD1 3.77Å; H165-Y376 AromaticContact CE1-CD2 3.95Å; H165-Y376 AromaticContact CE1-CE1 3.74Å; H165-Y376 AromaticContact CE1-CE2 3.9Å; H165-Y376 AromaticContact CE1-CG 3.88Å; H165-Y376 AromaticContact CE1-CZ 3.77Å; H165-Y376 AromaticContact ND1-CD2 3.8Å; H165-Y376 AromaticContact ND1-CE2 3.94Å; H165-Y376 AromaticContact ND1-CG 4Å; F169-Y376 HydrophobicContact CE1-CD2 4.35Å; E223-Y376 WeakPolarHBondContact OE1-CE2 2.99Å; E223-Y376 PolarHBondContact OE1-OH 2.88Å; L337-Y376 HydrophobicContact CD1-CE2 3.91Å; L337-Y376 HydrophobicContact CD2-CE2 3.61Å; L337-Y376 WeakPolarHBondContact CD2-OH 3.06Å; L337-Y376 HydrophobicContact CG-CE2 4.41Å; V372-Y376 HydrophobicContact CG1-CD2 3.51Å; V372-Y376 HydrophobicContact CG1-CE2 3.99Å; V372-Y376 PolarHBondContact O-N 2.64Å; Y376-N380 WeakPolarHBondContact O-CB 3.28Å; Y376-N380 PolarHBondContact O-ND2 3.33Å
377C91.4Very high89.8Confident0 Ų047 Ų470%022%0.224CC..Iπ-helixtrans-111.3-67.3177.3-166.70000112A147 A373 L379 N380 V383A147-C377 HydrophobicContact CB-CB 3.71Å; A373-C377 WeakPolarHBondContact O-CA 3.48Å; A373-C377 VanDerWaalsContact O-CB 3.23Å; A373-C377 WeakPolarHBondContact O-CB 3.39Å; A373-C377 PolarHBondContact O-N 3.38Å; C377-L379 PolarHBondContact O-N 2.85Å; C377-N380 WeakPolarHBondContact O-CB 3.04Å; C377-N380 PolarHBondContact O-N 2.69Å; C377-V383 WeakPolarHBondContact O-CB 3.49Å
378F91.8Very high89.8Confident67 Ų6746.5 Ų46.529%0.29423%0.229SC..Iπ-helixtrans-73.1-32.1-165.7-56.8-44.7000115.2A143 V146 A147 I150 A373 I374 R384A143-F378 HydrophobicContact CB-CE2 4.27Å; V146-F378 HydrophobicContact CB-CZ 4.3Å; V146-F378 HydrophobicContact CG1-CE1 3.98Å; V146-F378 HydrophobicContact CG1-CZ 4.04Å; A147-F378 HydrophobicContact CB-CZ 4.4Å; I150-F378 HydrophobicContact CD1-CD1 4.38Å; I150-F378 HydrophobicContact CD1-CE1 3.88Å; A373-F378 HydrophobicContact CB-CE2 4.23Å; A373-F378 PolarHBondContact O-N 3.39Å; A373-F378 VanDerWaalsContact O-N 3.13Å; I374-F378 HydrophobicContact CG1-CD2 4.08Å; I374-F378 PolarHBondContact O-N 2.92Å; F378-R384 PolarHBondContact O-NE 3.2Å; F378-R384 PolarHBondContact O-NH2 3.42Å
379L88.8Confident89.7Confident85 Ų8552.5 Ų52.545%0.44525%0.252SS..THydrogen-bonded Turntrans-92.5-5.9175.5-62.6-173.3000112.9I374 L375 C377 Q381 R384I374-L379 HydrophobicContact CG2-CD1 3.53Å; I374-L379 HydrophobicContact CG2-CG 3.65Å; I374-L379 VanDerWaalsContact O-CB 3.31Å; I374-L379 WeakPolarHBondContact O-CB 3.02Å; I374-L379 WeakPolarHBondContact O-CG 3.31Å; I374-L379 PolarHBondContact O-N 3.28Å; L375-L379 HydrophobicContact CD2-CD1 4.48Å; C377-L379 PolarHBondContact O-N 2.85Å; L379-Q381 PolarHBondContact O-N 2.87Å; L379-R384 VanDerWaalsContact CD2-NH2 3.26Å
380N88Confident89.4Confident36 Ų3658.9 Ų58.919%0.19328%0.279CS..  trans-70.1122.1-179.4-172.4-19.8000110.2Y376 C377 E382 V383 R384Y376-N380 WeakPolarHBondContact O-CB 3.28Å; Y376-N380 PolarHBondContact O-ND2 3.33Å; C377-N380 WeakPolarHBondContact O-CB 3.04Å; C377-N380 PolarHBondContact O-N 2.69Å; N380-E382 VanDerWaalsContact C-N 3.3Å; N380-E382 PolarHBondContact O-N 2.85Å; N380-E382 PolarHBondContact OD1-N 3.2Å; N380-E382 VanDerWaalsContact OD1-N 3.07Å; N380-V383 HydrophobicContact CB-CB 4.2Å; N380-V383 HydrophobicContact CB-CG2 3.8Å; N380-V383 PolarHBondContact O-N 2.87Å; N380-R384 WeakPolarHBondContact O-CG 3.46Å; N380-R384 PolarHBondContact O-N 2.75Å
381Q86.7Confident89.1Confident128 Ų12863.9 Ų63.960%0.59830%0.296SS*.Hα-helixtrans-62.8-36.9-177.2-65.8-63.6-20.900111.9L379 V383 R384 T385L379-Q381 PolarHBondContact O-N 2.87Å; Q381-V383 VanDerWaalsContact C-N 3.34Å; Q381-V383 PolarHBondContact O-N 2.82Å; Q381-R384 PolarHBondContact O-N 2.97Å; Q381-T385 WeakPolarHBondContact O-CB 3.49Å; Q381-T385 VanDerWaalsContact O-CG2 3.26Å; Q381-T385 WeakPolarHBondContact O-CG2 2.98Å; Q381-T385 PolarHBondContact O-N 2.92Å; Q381-T385 PolarHBondContact O-OG1 3.48Å; Q381-T385 VanDerWaalsContact O-OG1 3.11Å
382E88.8Confident88.7Confident52 Ų5267 Ų6724%0.24331%0.309CS..Hα-helixtrans-60.4-47176.7-64.8177.7-178.300110.2L157 N380 R384 T385 E386L157-E382 HydrophobicContact CD2-CB 4.49Å; N380-E382 VanDerWaalsContact C-N 3.3Å; N380-E382 PolarHBondContact O-N 2.85Å; N380-E382 PolarHBondContact OD1-N 3.2Å; N380-E382 VanDerWaalsContact OD1-N 3.07Å; E382-R384 PolarHBondContact O-N 3.44Å; E382-T385 PolarHBondContact O-N 3.22Å; E382-T385 PolarHBondContact O-OG1 3.08Å; E382-E386 WeakPolarHBondContact O-CB 3.44Å; E382-E386 VanDerWaalsContact O-CG 3.25Å; E382-E386 WeakPolarHBondContact O-CG 3.43Å; E382-E386 PolarHBondContact O-N 3.36Å
383V89.5Confident87.7Confident1 Ų170.1 Ų70.11%0.00634%0.342CS..Hα-helixtrans-62.4-46.7177.9-177.90000111I150 L151 L157 C377 N380 Q381 T385 E386 I387I150-V383 HydrophobicContact CG2-CG1 3.75Å; L151-V383 HydrophobicContact CD2-CG2 4.31Å; L157-V383 HydrophobicContact CD1-CB 4.48Å; L157-V383 HydrophobicContact CD1-CG1 4.42Å; L157-V383 HydrophobicContact CD1-CG2 3.96Å; C377-V383 WeakPolarHBondContact O-CB 3.49Å; N380-V383 HydrophobicContact CB-CB 4.2Å; N380-V383 HydrophobicContact CB-CG2 3.8Å; N380-V383 PolarHBondContact O-N 2.87Å; Q381-V383 VanDerWaalsContact C-N 3.34Å; Q381-V383 PolarHBondContact O-N 2.82Å; V383-T385 PolarHBondContact O-N 2.9Å; V383-E386 PolarHBondContact O-N 2.04Å; V383-I387 HydrophobicContact CG1-CD1 3.73Å; V383-I387 HydrophobicContact CG1-CG1 4.31Å; V383-I387 WeakPolarHBondContact O-CB 3.46Å; V383-I387 VanDerWaalsContact O-CG1 3.28Å; V383-I387 WeakPolarHBondContact O-CG1 3.13Å; V383-I387 PolarHBondContact O-N 2.82Å
384R90.6Very high86.3Confident123 Ų12377.8 Ų77.846%0.46438%0.377SS..Hα-helixtrans-60.9-43.6177.8-72.7-178.7173.5-154.5-6.2112.4F378 L379 N380 Q381 E382 E386 I387 S388F378-R384 PolarHBondContact O-NE 3.2Å; F378-R384 PolarHBondContact O-NH2 3.42Å; L379-R384 VanDerWaalsContact CD2-NH2 3.26Å; N380-R384 WeakPolarHBondContact O-CG 3.46Å; N380-R384 PolarHBondContact O-N 2.75Å; Q381-R384 PolarHBondContact O-N 2.97Å; E382-R384 PolarHBondContact O-N 3.44Å; R384-E386 VanDerWaalsContact C-N 3.34Å; R384-E386 PolarHBondContact O-N 3.45Å; R384-I387 PolarHBondContact O-N 2.95Å; R384-S388 VanDerWaalsContact O-CB 3.25Å; R384-S388 WeakPolarHBondContact O-CB 3.42Å; R384-S388 PolarHBondContact O-N 3.37Å
385T89.9Confident84.4Confident80 Ų8078.6 Ų78.649%0.49138%0.382SS..Hα-helixtrans-65-38.8177.957.50000112Q381 E382 V383 S388 R389Q381-T385 WeakPolarHBondContact O-CB 3.49Å; Q381-T385 VanDerWaalsContact O-CG2 3.26Å; Q381-T385 WeakPolarHBondContact O-CG2 2.98Å; Q381-T385 PolarHBondContact O-N 2.92Å; Q381-T385 PolarHBondContact O-OG1 3.48Å; Q381-T385 VanDerWaalsContact O-OG1 3.11Å; E382-T385 PolarHBondContact O-N 3.22Å; E382-T385 PolarHBondContact O-OG1 3.08Å; V383-T385 PolarHBondContact O-N 2.9Å; T385-S388 PolarHBondContact O-N 2.97Å; T385-R389 VanDerWaalsContact O-CB 3.31Å; T385-R389 WeakPolarHBondContact O-CB 2.96Å; T385-R389 PolarHBondContact O-N 2.97Å
386E90Very high82.7Confident30 Ų3082 Ų8214%0.1441%0.407CS..Hα-helixtrans-71.5-40.5178.6-72.1-71.3135.500112.2L154 R156 L157 E382 V383 R384 R389 K390L154-E386 HydrophobicContact CD1-CB 4.27Å; R156-E386 VanDerWaalsContact CB-OE2 3.3Å; R156-E386 WeakPolarHBondContact CB-OE2 3.32Å; L157-E386 HydrophobicContact CD2-CG 4.08Å; E382-E386 WeakPolarHBondContact O-CB 3.44Å; E382-E386 VanDerWaalsContact O-CG 3.25Å; E382-E386 WeakPolarHBondContact O-CG 3.43Å; E382-E386 PolarHBondContact O-N 3.36Å; V383-E386 PolarHBondContact O-N 2.04Å; R384-E386 VanDerWaalsContact C-N 3.34Å; R384-E386 PolarHBondContact O-N 3.45Å; E386-R389 PolarHBondContact O-N 2.03Å; E386-R389 IonicContact OE1-CZ 3.19Å; E386-R389 IonicContact OE1-NH1 2.57Å; E386-R389 PolarHBondContact OE1-NH1 3.15Å; E386-R389 IonicContact OE1-NH2 2.81Å; E386-R389 PolarHBondContact OE1-NH2 2.78Å; E386-R389 IonicContact OE2-CZ 3.21Å; E386-R389 IonicContact OE2-NH1 3.99Å; E386-R389 PolarHBondContact OE2-NH1 2.85Å; E386-R389 IonicContact OE2-NH2 3.37Å; E386-R389 PolarHBondContact OE2-NH2 2.94Å; E386-K390 WeakPolarHBondContact O-CB 3.4Å; E386-K390 PolarHBondContact O-N 3.21Å
387I88.7Confident81Confident68 Ų6889.3 Ų89.335%0.34944%0.442SS..Hα-helixtrans-61.4-49.3171.5-69.8171.3000109.7I150 L154 V383 R384 R389 K390 W391I150-I387 HydrophobicContact CG2-CD1 4.2Å; L154-I387 HydrophobicContact CD1-CG1 4.16Å; V383-I387 HydrophobicContact CG1-CD1 3.73Å; V383-I387 HydrophobicContact CG1-CG1 4.31Å; V383-I387 WeakPolarHBondContact O-CB 3.46Å; V383-I387 VanDerWaalsContact O-CG1 3.28Å; V383-I387 WeakPolarHBondContact O-CG1 3.13Å; V383-I387 PolarHBondContact O-N 2.82Å; R384-I387 PolarHBondContact O-N 2.95Å; I387-R389 VanDerWaalsContact C-N 3.29Å; I387-R389 PolarHBondContact O-N 2.91Å; I387-K390 PolarHBondContact O-N 3.47Å; I387-K390 VanDerWaalsContact O-N 3.15Å; I387-W391 WeakPolarHBondContact O-CB 3.35Å; I387-W391 PolarHBondContact O-N 3.43Å
388S88.7Confident78.9Confident56 Ų5695.3 Ų95.339%0.39247%0.474SS..Hα-helixtrans-57.8-43.5177.2-172.80000111.1R384 T385 K390 W391 H392R384-S388 VanDerWaalsContact O-CB 3.25Å; R384-S388 WeakPolarHBondContact O-CB 3.42Å; R384-S388 PolarHBondContact O-N 3.37Å; T385-S388 PolarHBondContact O-N 2.97Å; S388-K390 VanDerWaalsContact C-N 3.35Å; S388-K390 PolarHBondContact O-N 2.81Å; S388-W391 PolarHBondContact O-N 2.88Å; S388-H392 WeakPolarHBondContact O-CB 3.3Å; S388-H392 PolarHBondContact O-N 2.74Å; S388-H392 PolarHBondContact O-ND1 3.07Å; S388-H392 PolarHBondContact OG-CE1 3.48Å; S388-H392 PolarHBondContact OG-ND1 3.04Å
389R87.8Confident76.5Confident131 Ų13199.4 Ų99.449%0.49450%0.498SS..Hα-helixtrans-64-39.1178.1-166.7-176.574.5-152-8.7112T385 E386 I387 G393T385-R389 VanDerWaalsContact O-CB 3.31Å; T385-R389 WeakPolarHBondContact O-CB 2.96Å; T385-R389 PolarHBondContact O-N 2.97Å; E386-R389 PolarHBondContact O-N 2.03Å; E386-R389 IonicContact OE1-CZ 3.19Å; E386-R389 IonicContact OE1-NH1 2.57Å; E386-R389 PolarHBondContact OE1-NH1 3.15Å; E386-R389 IonicContact OE1-NH2 2.81Å; E386-R389 PolarHBondContact OE1-NH2 2.78Å; E386-R389 IonicContact OE2-CZ 3.21Å; E386-R389 IonicContact OE2-NH1 3.99Å; E386-R389 PolarHBondContact OE2-NH1 2.85Å; E386-R389 IonicContact OE2-NH2 3.37Å; E386-R389 PolarHBondContact OE2-NH2 2.94Å; I387-R389 VanDerWaalsContact C-N 3.29Å; I387-R389 PolarHBondContact O-N 2.91Å; R389-G393 PolarHBondContact O-N 3.31Å
390K85Confident74.2Confident134 Ų13499.9 Ų99.958%0.58351%0.506SS*.Hα-helixtrans-71-37.1177.8-167172.4-179.1-176.20111.9L154 E386 I387 S388 H394L154-K390 HydrophobicContact CD2-CD 3.72Å; E386-K390 WeakPolarHBondContact O-CB 3.4Å; E386-K390 PolarHBondContact O-N 3.21Å; I387-K390 PolarHBondContact O-N 3.47Å; I387-K390 VanDerWaalsContact O-N 3.15Å; S388-K390 VanDerWaalsContact C-N 3.35Å; S388-K390 PolarHBondContact O-N 2.81Å; K390-H394 PolarHBondContact O-N 3.47Å
391W86.4Confident71.9Confident176 Ų176102.8 Ų102.867%0.66754%0.535SS*.Hα-helixtrans-64.4-52.2174.5-162.7-54.7000111.1I387 S388 G393 H394 D395I387-W391 WeakPolarHBondContact O-CB 3.35Å; I387-W391 PolarHBondContact O-N 3.43Å; S388-W391 PolarHBondContact O-N 2.88Å; W391-G393 VanDerWaalsContact C-N 3.27Å; W391-G393 PolarHBondContact O-N 3.3Å; W391-H394 WeakPolarHBondContact O-CB 3.5Å; W391-H394 PolarHBondContact O-N 2.96Å; W391-D395 PolarHBondContact O-N 3.05Å
392H81.1Confident69.6Low112 Ų112108 Ų10852%0.51955%0.549SS..Hα-helixtrans-68-26179.4-69.665.7000112.8S388 H394 D395S388-H392 WeakPolarHBondContact O-CB 3.3Å; S388-H392 PolarHBondContact O-N 2.74Å; S388-H392 PolarHBondContact O-ND1 3.07Å; S388-H392 PolarHBondContact OG-CE1 3.48Å; S388-H392 PolarHBondContact OG-ND1 3.04Å; H392-H394 PolarHBondContact O-N 3.18Å; H392-D395 PolarHBondContact O-N 3.05Å
393G70.9Confident67.2Low67 Ų67117 Ų11769%0.69158%0.581SS**THydrogen-bonded Turntrans-71.3-15.9171.500000113.8R389 W391R389-G393 PolarHBondContact O-N 3.31Å; W391-G393 VanDerWaalsContact C-N 3.27Å; W391-G393 PolarHBondContact O-N 3.3Å
394H61.9Low64.7Low160 Ų160123.2 Ų123.274%0.74162%0.619SS**THydrogen-bonded Turntrans-93.6-14.7175.2-151.387.7000112.8K390 W391 H392 P396K390-H394 PolarHBondContact O-N 3.47Å; W391-H394 WeakPolarHBondContact O-CB 3.5Å; W391-H394 PolarHBondContact O-N 2.96Å; H392-H394 PolarHBondContact O-N 3.18Å; H394-P396 VanDerWaalsContact C-CD 3.4Å; H394-P396 WeakPolarHBondContact O-CD 3.19Å
395D51.1Low62Low67 Ų67129 Ų12936%0.35864%0.641SS.*  trans-100.883.5173.5-69.9-36000110.3W391 H392 E397 L398W391-D395 PolarHBondContact O-N 3.05Å; H392-D395 PolarHBondContact O-N 3.05Å; D395-E397 PolarHBondContact O-N 2.9Å; D395-L398 HydrophobicContact CB-CB 4.48Å; D395-L398 PolarHBondContact O-N 3.25Å
396P52.2Low59.4Low113 Ų113130.3 Ų130.373%0.73466%0.66SS**THydrogen-bonded Turntrans-63.1-10.7176.924-32.2000113.8H394H394-P396 VanDerWaalsContact C-CD 3.4Å; H394-P396 WeakPolarHBondContact O-CD 3.19Å
397E52.3Low56.9Low190 Ų190138 Ų13889%0.88869%0.693SS**THydrogen-bonded Turntrans-100.53-175.8-68.2-149.1115.500115.8D395D395-E397 PolarHBondContact O-N 2.9Å
398L46Very low54.2Low126 Ų126146.3 Ų146.366%0.6672%0.72SS**  trans-116.617-177-116.3103.4000116.4D395 P400D395-L398 HydrophobicContact CB-CB 4.48Å; D395-L398 PolarHBondContact O-N 3.25Å; L398-P400 WeakPolarHBondContact O-CD 3.24Å
399L42.2Very low51.9Low152 Ų152150.2 Ų150.280%0.79674%0.741SS**  trans-71.8108.5173.9-76.6168.9000111
400P40.7Very low49.7Very low95 Ų95150.2 Ų150.262%0.61776%0.756SS**  trans-80.2134.9171.217.70.5000108.6L398 W402L398-P400 WeakPolarHBondContact O-CD 3.24Å; P400-W402 VanDerWaalsContact C-N 3.28Å; P400-W402 PolarHBondContact O-N 2.86Å
401A38.9Very low47.5Very low97 Ų97149.9 Ų149.980%0.80277%0.768SS**  trans-6269.3-176.200000114.9
402W38.6Very low45.1Very low239 Ų239147.1 Ų147.191%0.90578%0.775SS**  trans-104.321.1179.1-82.183.9000114.7P400P400-W402 VanDerWaalsContact C-N 3.28Å; P400-W402 PolarHBondContact O-N 2.86Å
403R38.5Very low42.9Very low241 Ų241153.5 Ų153.591%0.90980%0.795SS**  trans-121.651.7178.7-142.2-172.9-66.7-175.51.9113.3
404T37.2Very low41.2Very low130 Ų130156 Ų15680%0.79880%0.802SS**SBendtrans-143.2118.9160.729.80000108.8
405R33.3Very low39.9Very low245 Ų245152.8 Ų152.893%0.92580%0.803SS**  trans93.874.6169.1-156.4176.4-72.3-175.1-2117.2
406A36.5Very low39Very low108 Ų108154.1 Ų154.189%0.89382%0.823SS**  trans-126.399.9144.800000108.6
407K36.9Very low38Very low190 Ų190158.1 Ų158.183%0.82683%0.829SS**  trans-69.9129.8173.5-117.9174.8177.3-1800108.4
408W32.3Very low37.2Very low244 Ų244155 Ų15592%0.92482%0.822SS**  trans-0.3113156.6-58.788.1000118
409T39.4Very low36.5Very low137 Ų137156.1 Ų156.184%0.8483%0.828SS**  trans-140.8121147.548.40000108.7
410T42Very low36.2Very low132 Ų132153.7 Ų153.781%0.8182%0.82SS**PPolyproline II helixtrans-62.4145.6174.531.10000111.5
411P39Very low35.9Very low127 Ų127151.2 Ų151.283%0.82581%0.805SS**PPolyproline II helixtrans-86.8131.6-166.929.7-25.3000112.9
412S36.7Very low35.9Very low117 Ų117154.1 Ų154.182%0.81880%0.804SS**PPolyproline II helixtrans-73131.2166.4176.90000110.8S414S412-S414 PolarHBondContact O-N 3.19Å; S412-S414 VanDerWaalsContact O-N 3.1Å
413R34.6Very low36.2Very low247 Ų247147.7 Ų147.793%0.93279%0.794SS**SBendtrans-64.894.8173.8-83.9172.2154.5174.3-6.2110.6
414S34.6Very low36.1Very low119 Ų119143 Ų14383%0.83279%0.788SS**  trans178.982.5155177.70000109.7S412S412-S414 PolarHBondContact O-N 3.19Å; S412-S414 VanDerWaalsContact O-N 3.1Å
415A34.8Very low36.1Very low93 Ų93143.7 Ų143.777%0.76979%0.788SS**  trans-145111.4166.100000107.8K417A415-K417 PolarHBondContact O-N 3.01Å; A415-K417 VanDerWaalsContact O-N 3.1Å
416A33.3Very low36.2Very low95 Ų95138.1 Ų138.179%0.78578%0.78SS**  trans-51.7115.7174.400000109.3V418A416-V418 VanDerWaalsContact C-N 3.3Å; A416-V418 PolarHBondContact O-N 3.18Å
417K31Very low36.2Very low197 Ų197139.8 Ų139.886%0.85777%0.774SS**  trans-6493.3169.8-78.5179176.5177.20108A415 L419A415-K417 PolarHBondContact O-N 3.01Å; A415-K417 VanDerWaalsContact O-N 3.1Å; K417-L419 PolarHBondContact O-N 3.19Å; K417-L419 VanDerWaalsContact O-N 3.13Å
418V35.1Very low36.1Very low123 Ų123136.7 Ų136.775%0.74577%0.77SS**  trans-62.1111.2155.3174.10000105.2A416 T420A416-V418 VanDerWaalsContact C-N 3.3Å; A416-V418 PolarHBondContact O-N 3.18Å; V418-T420 PolarHBondContact O-N 3.35Å
419L30.8Very low36.4Very low151 Ų151129.5 Ų129.579%0.79176%0.76SS**  trans-72.274.4-178.2-153.1101.1000108.7K417 S421K417-L419 PolarHBondContact O-N 3.19Å; K417-L419 VanDerWaalsContact O-N 3.13Å; L419-S421 PolarHBondContact O-N 2.91Å
420T36.7Very low36.2Very low100 Ų100129 Ų12961%0.61375%0.754SS**  trans-66.595.6151.446.40000104.8V418 M422V418-T420 PolarHBondContact O-N 3.35Å; T420-M422 PolarHBondContact O-N 3.03Å
421S34.7Very low35.7Very low44 Ų44128.8 Ų128.831%0.30875%0.75SS.*  trans-62.191.7165.5120.40000105.1R161 L419 C423R161-S421 PolarHBondContact NH2-OG 3.47Å; L419-S421 PolarHBondContact O-N 2.91Å; S421-C423 PolarHBondContact O-N 2.7Å
422M37.8Very low35.5Very low157 Ų157128.9 Ų128.977%0.77374%0.744SS**  trans-50.9138.1159.5-65.6-165.377.500106.1T420T420-M422 PolarHBondContact O-N 3.03Å
423C45.5Very low35.3Very low104 Ų104130 Ų13070%0.70374%0.737SS**  trans-53.60150.7-45.20000108.2C159 S421C159-C423 HydrophobicContact CB-CB 3.75Å; C159-C423 WeakPolarHBondContact CB-SG 3.38Å; C159-C423 WeakPolarHBondContact SG-CB 3.43Å; C159-C423 CovalentContact SG-SG 1.97Å; C159-C423 PolarHBondContact SG-SG 3.32Å; S421-C423 PolarHBondContact O-N 2.7Å

Retrieved 423 of 423 residues in 291.7 ms (Link to these results)