A0A087XVS6_POEFO Loading...

Vasoactive intestinal peptide receptor 2

AlphaFold DB , UniProt , Accession A0A087XVS6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 437 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
1I35.6Very low28.5Very low229 Ų229151 Ų151100%1.17485%0.851SS**  0110.30-67.3167.6000106.7
2Q27.3Very low28.3Very low193 Ų193151.9 Ų151.990%0.90285%0.85SS**  trans-95110.9-166.3-167.6172.1-0.700107.1
3A28.1Very low28.3Very low100 Ų100148.8 Ų148.883%0.82684%0.837SS**  trans-95.2107.6172.200000108.6N5A3-N5 PolarHBondContact O-N 3.26Å
4K29.1Very low28Very low202 Ų202148.8 Ų148.888%0.87883%0.834SS**  trans-80.9104.6-176.3-164.4178.1-172.7-178.20108
5N27.3Very low28Very low150 Ų150148.3 Ų148.380%0.80283%0.827SS**PPolyproline II helixtrans-83.5141168.3-97.4-2.5000109.9A3A3-N5 PolarHBondContact O-N 3.26Å
6P26.9Very low27.8Very low116 Ų116144.3 Ų144.375%0.75382%0.819SS**PPolyproline II helixtrans-71.6144.1-176.928.7-33.1000111.8
7P28.7Very low27.9Very low133 Ų133143.4 Ų143.486%0.86481%0.811SS**PPolyproline II helixtrans-88.1120.3174.134-27000108.9
8G27.8Very low27.9Very low67 Ų67142.2 Ų142.269%0.69181%0.807SS**  trans155.366.7171.300000113
9L27.8Very low27.9Very low172 Ų172137.6 Ų137.690%0.90178%0.782SS**SBendtrans-172.441.2156.9-135.886.3000112.9
10L27.5Very low28Very low157 Ų157134 Ų13482%0.82276%0.763SS**  trans-136.317.6-170-99.1173.5000117.2
11L26.9Very low28.5Very low142 Ų142133 Ų13374%0.74375%0.747SS**  trans-13270.3177.7-70.7169.8000112
12L27.2Very low28.7Very low162 Ų162126.3 Ų126.385%0.84871%0.711SS**  trans-132.144.9160.5-83.6172.7000109.4
13T27.5Very low29.5Very low111 Ų111120.5 Ų120.568%0.68169%0.69SS**  trans-125.79.4-177.149.60000115.4
14D23.8Very low30.3Very low149 Ų149119.5 Ų119.580%0.79767%0.673SS**  trans-124.758.9174.6-75.7-47.4000111.8A16D14-A16 PolarHBondContact O-N 2.82Å
15I28Very low31.3Very low142 Ų142111.6 Ų111.673%0.72864%0.644SS**  trans-84.2101.8153.5-61.6177.8000105.5D17I15-D17 PolarHBondContact O-N 3.49Å
16A25.3Very low32.5Very low84 Ų84106.7 Ų106.769%0.69462%0.617SS**  trans-46.9129.5170.800000110.3D14 V18D14-A16 PolarHBondContact O-N 2.82Å; A16-V18 PolarHBondContact O-N 3.25Å
17D29Very low34Very low128 Ų128103.4 Ų103.468%0.68459%0.591SS**  trans-36103177.4-80.7-54.4000113.9I15 R275I15-D17 PolarHBondContact O-N 3.49Å; D17-R275 IonicContact OD1-CZ 3.51Å; D17-R275 IonicContact OD1-NH2 3.82Å; D17-R275 PolarHBondContact OD1-NH2 2.94Å
18V28Very low35.4Very low122 Ų122101.5 Ų101.574%0.73957%0.573SS**  trans-109.481.8154.3-175.60000107.1A16 T20A16-V18 PolarHBondContact O-N 3.25Å; V18-T20 PolarHBondContact O-N 3.33Å; V18-T20 PolarHBondContact O-OG1 3.34Å
19V29Very low37.2Very low55 Ų55103.6 Ų103.633%0.33357%0.568SS.*  trans-52.1105.2161.5172.40000107R21V19-R21 HydrophobicContact CG1-CB 3.89Å; V19-R21 HydrophobicContact CG1-CG 4.36Å; V19-R21 PolarHBondContact O-N 3.17Å; V19-R21 VanDerWaalsContact O-O 3.07Å
20T29.7Very low39Very low66 Ų6697.4 Ų97.441%0.40554%0.535SS..SBendtrans-79.543.7174.3-20.90000110.8V18 V187V18-T20 PolarHBondContact O-N 3.33Å; V18-T20 PolarHBondContact O-OG1 3.34Å; T20-V187 HydrophobicContact CG2-CG1 4.42Å
21R37.8Very low40.9Very low114 Ų11490.9 Ų90.943%0.4350%0.501SS..SBendtrans-104.4131.2150.3-71179.9179176.90.7104.9V19 P23V19-R21 HydrophobicContact CG1-CB 3.89Å; V19-R21 HydrophobicContact CG1-CG 4.36Å; V19-R21 PolarHBondContact O-N 3.17Å; V19-R21 VanDerWaalsContact O-O 3.07Å; R21-P23 VanDerWaalsContact O-N 3.1Å
22H39.6Very low43Very low87 Ų8788 Ų8840%0.40348%0.484SS..  trans-46.5124.5179.7-164.5-80000109.6T24 C25H22-T24 PolarHBondContact CE1-OG1 2.75Å; H22-T24 WeakPolarHBondContact ND1-CB 3.48Å; H22-T24 PolarHBondContact ND1-N 3.44Å; H22-T24 PolarHBondContact ND1-OG1 3.45Å; H22-T24 PolarHBondContact O-N 2.97Å; H22-C25 WeakPolarHBondContact O-CB 3.21Å; H22-C25 PolarHBondContact O-N 3.33Å
23P44.7Very low45.5Very low72 Ų7285.3 Ų85.347%0.46847%0.465SS..Hα-helixtrans-52.3-33.9-172.610.3-24.1000112.1R21 C25 F27 L86R21-P23 VanDerWaalsContact O-N 3.1Å; P23-C25 VanDerWaalsContact C-N 3.33Å; P23-C25 PolarHBondContact O-N 3.32Å; P23-F27 WeakPolarHBondContact O-CB 3.29Å; P23-F27 PolarHBondContact O-N 3.34Å; P23-L86 HydrophobicContact CB-CD2 3.39Å
24T45.3Very low47.8Very low78 Ų7881.2 Ų81.248%0.47944%0.439SS..Hα-helixtrans-61.9-29.6175.8-41.50000114.8H22 L28H22-T24 PolarHBondContact CE1-OG1 2.75Å; H22-T24 WeakPolarHBondContact ND1-CB 3.48Å; H22-T24 PolarHBondContact ND1-N 3.44Å; H22-T24 PolarHBondContact ND1-OG1 3.45Å; H22-T24 PolarHBondContact O-N 2.97Å; T24-L28 WeakPolarHBondContact O-CB 3.44Å; T24-L28 PolarHBondContact O-N 3.03Å
25C50.1Low50.4Low37 Ų3779.4 Ų79.425%0.2542%0.421CS..Hα-helixtrans-82.4-40.5-177.4-161.10000111.4H22 P23 F27 L28 L29 C194H22-C25 WeakPolarHBondContact O-CB 3.21Å; H22-C25 PolarHBondContact O-N 3.33Å; P23-C25 VanDerWaalsContact C-N 3.33Å; P23-C25 PolarHBondContact O-N 3.32Å; C25-F27 VanDerWaalsContact C-N 3.32Å; C25-L28 PolarHBondContact O-N 3.01Å; C25-L29 WeakPolarHBondContact O-CG 3.46Å; C25-L29 PolarHBondContact O-N 3.15Å; C25-L29 VanDerWaalsContact O-N 3.11Å; C25-C194 VanDerWaalsContact SG-SG 3.62Å
26N52.5Low53.1Low47 Ų4777.7 Ų77.725%0.25141%0.413SS..Hα-helixtrans-65.9-39.4170.7-159.843.2000110.8L29 E30 L85N26-L29 PolarHBondContact O-N 3.13Å; N26-E30 WeakPolarHBondContact O-CB 3.35Å; N26-E30 PolarHBondContact O-N 3.05Å; N26-L85 WeakPolarHBondContact ND2-CD2 3.38Å
27F57.9Low56Low47 Ų4776.3 Ų76.321%0.20639%0.394CS..Hα-helixtrans-59.4-49172173.3-100.2000112.6P23 C25 L29 E30 V31 I63 A82 L83 L86P23-F27 WeakPolarHBondContact O-CB 3.29Å; P23-F27 PolarHBondContact O-N 3.34Å; C25-F27 VanDerWaalsContact C-N 3.32Å; F27-L29 VanDerWaalsContact C-N 3.34Å; F27-L29 PolarHBondContact O-N 3.27Å; F27-E30 PolarHBondContact O-N 3.18Å; F27-V31 HydrophobicContact CD1-CG2 4.37Å; F27-V31 HydrophobicContact CD2-CG2 4.18Å; F27-V31 HydrophobicContact CE1-CG2 4.12Å; F27-V31 HydrophobicContact CE2-CG2 3.91Å; F27-V31 HydrophobicContact CG-CG2 4.41Å; F27-V31 HydrophobicContact CZ-CG2 3.89Å; F27-V31 WeakPolarHBondContact O-CB 3.46Å; F27-V31 WeakPolarHBondContact O-CG2 3.35Å; F27-V31 PolarHBondContact O-N 2.9Å; F27-I63 HydrophobicContact CE2-CD1 4.05Å; F27-I63 HydrophobicContact CZ-CD1 3.57Å; F27-A82 HydrophobicContact CD2-CB 3.68Å; F27-A82 HydrophobicContact CE2-CB 3.91Å; F27-L83 HydrophobicContact CE2-CD2 3.67Å; F27-L83 HydrophobicContact CE2-CG 4.17Å; F27-L83 HydrophobicContact CZ-CD2 4.3Å; F27-L86 HydrophobicContact CB-CD1 3.81Å; F27-L86 HydrophobicContact CB-CG 4.37Å; F27-L86 HydrophobicContact CD2-CD1 3.34Å; F27-L86 HydrophobicContact CD2-CG 4.21Å; F27-L86 HydrophobicContact CE2-CD1 4.07Å; F27-L86 HydrophobicContact CG-CD1 3.73Å
28L58.6Low58.7Low92 Ų9270.3 Ų70.348%0.48236%0.362SS..Hα-helixtrans-63-39.7-179.9-16091.4000112.1T24 C25 E32 C194T24-L28 WeakPolarHBondContact O-CB 3.44Å; T24-L28 PolarHBondContact O-N 3.03Å; C25-L28 PolarHBondContact O-N 3.01Å; L28-E32 WeakPolarHBondContact O-CB 3.38Å; L28-E32 PolarHBondContact O-N 2.96Å; L28-C194 HydrophobicContact CD2-CB 4.16Å
29L64.1Low61.5Low112 Ų11267 Ų6759%0.58634%0.342SS*.Hα-helixtrans-66.1-42.8176.2-78.4168.3000112.2C25 N26 F27 E32 K33C25-L29 WeakPolarHBondContact O-CG 3.46Å; C25-L29 PolarHBondContact O-N 3.15Å; C25-L29 VanDerWaalsContact O-N 3.11Å; N26-L29 PolarHBondContact O-N 3.13Å; F27-L29 VanDerWaalsContact C-N 3.34Å; F27-L29 PolarHBondContact O-N 3.27Å; L29-E32 PolarHBondContact O-N 3.42Å; L29-K33 WeakPolarHBondContact O-CB 3.34Å; L29-K33 PolarHBondContact O-N 3.43Å
30E65.8Low64.3Low42 Ų4270 Ų7020%0.19635%0.347CS..Hα-helixtrans-69.4-37.1178.3-157.666.1-155.300111.2N26 F27 K33 D34 A82N26-E30 WeakPolarHBondContact O-CB 3.35Å; N26-E30 PolarHBondContact O-N 3.05Å; F27-E30 PolarHBondContact O-N 3.18Å; E30-K33 PolarHBondContact O-N 3.35Å; E30-K33 IonicContact OE1-NZ 2.59Å; E30-D34 WeakPolarHBondContact O-CB 3.31Å; E30-D34 PolarHBondContact O-N 2.98Å; E30-A82 HydrophobicContact CB-CB 4.03Å; E30-A82 HydrophobicContact CG-CB 4.29Å
31V69.1Low66.9Low20 Ų2071.6 Ų71.612%0.12135%0.349CS..Hα-helixtrans-63.3-41.7172.9170.90000111.3F27 K33 D34 R35 W60 I63 A82F27-V31 HydrophobicContact CD1-CG2 4.37Å; F27-V31 HydrophobicContact CD2-CG2 4.18Å; F27-V31 HydrophobicContact CE1-CG2 4.12Å; F27-V31 HydrophobicContact CE2-CG2 3.91Å; F27-V31 HydrophobicContact CG-CG2 4.41Å; F27-V31 HydrophobicContact CZ-CG2 3.89Å; F27-V31 WeakPolarHBondContact O-CB 3.46Å; F27-V31 WeakPolarHBondContact O-CG2 3.35Å; F27-V31 PolarHBondContact O-N 2.9Å; V31-K33 VanDerWaalsContact C-N 3.34Å; V31-D34 PolarHBondContact O-N 3.31Å; V31-R35 VanDerWaalsContact O-CB 3.3Å; V31-R35 WeakPolarHBondContact O-CB 3.24Å; V31-R35 PolarHBondContact O-N 2.91Å; V31-W60 HydrophobicContact CG1-CZ2 4.1Å; V31-I63 HydrophobicContact CG2-CD1 4.18Å; V31-A82 HydrophobicContact CG2-CB 3.63Å
32E70.4Confident69.2Low80 Ų8067.4 Ų67.437%0.37434%0.335SS..Hα-helixtrans-67.1-36.9177-17060.4-147.900111.7L28 L29 R35 L36L28-E32 WeakPolarHBondContact O-CB 3.38Å; L28-E32 PolarHBondContact O-N 2.96Å; L29-E32 PolarHBondContact O-N 3.42Å; E32-R35 WeakPolarHBondContact O-CB 3.31Å; E32-R35 PolarHBondContact O-N 3.32Å; E32-R35 IonicContact OE1-CZ 3.17Å; E32-R35 IonicContact OE1-NH1 2.62Å; E32-R35 PolarHBondContact OE1-NH1 3.33Å; E32-R35 IonicContact OE2-NH1 2.78Å; E32-L36 VanDerWaalsContact O-CG 3.32Å; E32-L36 WeakPolarHBondContact O-CG 3.33Å; E32-L36 PolarHBondContact O-N 2.93Å
33K78.3Confident71.3Confident107 Ų10769.7 Ų69.747%0.46534%0.344SS..Hα-helixtrans-64.9-47.9174.3-175.3-176.7174-1690111.8L29 E30 V31 R35 L36 D37L29-K33 WeakPolarHBondContact O-CB 3.34Å; L29-K33 PolarHBondContact O-N 3.43Å; E30-K33 PolarHBondContact O-N 3.35Å; E30-K33 IonicContact OE1-NZ 2.59Å; V31-K33 VanDerWaalsContact C-N 3.34Å; K33-R35 VanDerWaalsContact C-N 3.26Å; K33-R35 PolarHBondContact O-N 3.47Å; K33-L36 PolarHBondContact O-N 3.47Å; K33-D37 PolarHBondContact O-N 2.85Å
34D76.9Confident73.2Confident25 Ų2571.3 Ų71.313%0.13435%0.345CS..Hα-helixtrans-61.5-36.8176.1-77.5-15.9000111E30 V31 C38 W60E30-D34 WeakPolarHBondContact O-CB 3.31Å; E30-D34 PolarHBondContact O-N 2.98Å; V31-D34 PolarHBondContact O-N 3.31Å; D34-C38 WeakPolarHBondContact O-CB 3.39Å; D34-C38 PolarHBondContact O-N 3.41Å; D34-W60 HydrophobicContact CB-CH2 3.95Å; D34-W60 HydrophobicContact CB-CZ3 4.37Å
35R79.1Confident74.7Confident110 Ų11071.2 Ų71.242%0.41534%0.339SS..Hα-helixtrans-62-48.3172.9178.8-176.7174-124.70.4111.9V31 E32 K33 D37 C38 V39 W60V31-R35 VanDerWaalsContact O-CB 3.3Å; V31-R35 WeakPolarHBondContact O-CB 3.24Å; V31-R35 PolarHBondContact O-N 2.91Å; E32-R35 WeakPolarHBondContact O-CB 3.31Å; E32-R35 PolarHBondContact O-N 3.32Å; E32-R35 IonicContact OE1-CZ 3.17Å; E32-R35 IonicContact OE1-NH1 2.62Å; E32-R35 PolarHBondContact OE1-NH1 3.33Å; E32-R35 IonicContact OE2-NH1 2.78Å; K33-R35 VanDerWaalsContact C-N 3.26Å; K33-R35 PolarHBondContact O-N 3.47Å; R35-D37 VanDerWaalsContact C-N 3.34Å; R35-C38 WeakPolarHBondContact O-CB 3.35Å; R35-C38 PolarHBondContact O-N 3.33Å; R35-V39 HydrophobicContact CG-CG2 4.46Å; R35-V39 VanDerWaalsContact O-CG2 3.31Å; R35-V39 WeakPolarHBondContact O-CG2 3.31Å; R35-V39 PolarHBondContact O-N 2.91Å; R35-W60 HydrophobicContact CB-CD2 4.23Å; R35-W60 HydrophobicContact CB-CH2 4.21Å; R35-W60 HydrophobicContact CB-CZ2 3.69Å; R35-W60 HydrophobicContact CG-CD2 4.24Å; R35-W60 HydrophobicContact CG-CG 4.33Å; R35-W60 HydrophobicContact CG-CZ2 4.4Å
36L83.1Confident75.9Confident107 Ų10776.2 Ų76.256%0.5636%0.359SS*.Hα-helixtrans-62.8-41.9179.5-72.8170.6000111.6E32 K33 V39 R40E32-L36 VanDerWaalsContact O-CG 3.32Å; E32-L36 WeakPolarHBondContact O-CG 3.33Å; E32-L36 PolarHBondContact O-N 2.93Å; K33-L36 PolarHBondContact O-N 3.47Å; L36-V39 PolarHBondContact O-N 2.84Å; L36-R40 WeakPolarHBondContact O-CB 3.32Å; L36-R40 PolarHBondContact O-N 3.29Å
37D86.1Confident77.1Confident54 Ų5478.4 Ų78.429%0.28938%0.383SS..Hα-helixtrans-63.8-41.2175.1-86.4-34.6000112K33 R35 R40 K41K33-D37 PolarHBondContact O-N 2.85Å; R35-D37 VanDerWaalsContact C-N 3.34Å; D37-R40 PolarHBondContact O-N 3.49Å; D37-R40 IonicContact OD1-CZ 2.8Å; D37-R40 IonicContact OD1-NE 2.91Å; D37-R40 IonicContact OD1-NH2 3.75Å; D37-R40 PolarHBondContact OD1-NH2 3.03Å; D37-K41 WeakPolarHBondContact O-CG 3.47Å; D37-K41 PolarHBondContact O-N 3.37Å; D37-K41 VanDerWaalsContact O-N 3.08Å
38C85.9Confident77.7Confident3 Ų380.4 Ų80.42%0.0241%0.408CS..Hα-helixtrans-61.8-51.4174.8-176.30000112D34 R35 R40 K41 L42 W60 C65D34-C38 WeakPolarHBondContact O-CB 3.39Å; D34-C38 PolarHBondContact O-N 3.41Å; R35-C38 WeakPolarHBondContact O-CB 3.35Å; R35-C38 PolarHBondContact O-N 3.33Å; C38-R40 PolarHBondContact O-N 3.39Å; C38-K41 PolarHBondContact O-N 2.94Å; C38-K41 VanDerWaalsContact O-N 3.12Å; C38-L42 WeakPolarHBondContact O-CG 3.44Å; C38-L42 PolarHBondContact O-N 3.29Å; C38-W60 HydrophobicContact CB-CE3 3.66Å; C38-W60 HydrophobicContact CB-CZ3 4.1Å; C38-C65 WeakPolarHBondContact CA-SG 3.27Å; C38-C65 HydrophobicContact CB-CB 3.53Å; C38-C65 WeakPolarHBondContact CB-SG 3.41Å; C38-C65 VanDerWaalsContact SG-CA 3.54Å; C38-C65 WeakPolarHBondContact SG-CB 3.39Å; C38-C65 CovalentContact SG-SG 2.02Å; C38-C65 PolarHBondContact SG-SG 2.88Å
39V86.6Confident77.9Confident53 Ų5378.1 Ų78.132%0.32141%0.407SS..Hα-helixtrans-60.4-35.8-179.5170.80000111.3R35 L36 K43R35-V39 HydrophobicContact CG-CG2 4.46Å; R35-V39 VanDerWaalsContact O-CG2 3.31Å; R35-V39 WeakPolarHBondContact O-CG2 3.31Å; R35-V39 PolarHBondContact O-N 2.91Å; L36-V39 PolarHBondContact O-N 2.84Å; V39-K43 HydrophobicContact CG1-CD 4.37Å; V39-K43 VanDerWaalsContact O-CG 3.31Å; V39-K43 WeakPolarHBondContact O-CG 3.19Å; V39-K43 PolarHBondContact O-N 3.17Å
40R87.6Confident77.5Confident117 Ų11779.4 Ų79.444%0.44242%0.415SS..Hα-helixtrans-64.8-48.4174.8-179.8176.957.579.31111.5L36 D37 C38 K43 E44L36-R40 WeakPolarHBondContact O-CB 3.32Å; L36-R40 PolarHBondContact O-N 3.29Å; D37-R40 PolarHBondContact O-N 3.49Å; D37-R40 IonicContact OD1-CZ 2.8Å; D37-R40 IonicContact OD1-NE 2.91Å; D37-R40 IonicContact OD1-NH2 3.75Å; D37-R40 PolarHBondContact OD1-NH2 3.03Å; C38-R40 PolarHBondContact O-N 3.39Å; R40-K43 PolarHBondContact O-N 3.38Å; R40-E44 VanDerWaalsContact CG-OE1 3.31Å; R40-E44 WeakPolarHBondContact CG-OE1 3.32Å; R40-E44 IonicContact NH1-OE1 3.87Å; R40-E44 PolarHBondContact NH1-OE1 3.04Å; R40-E44 VanDerWaalsContact NH1-OE1 3.09Å; R40-E44 IonicContact NH1-OE2 3.61Å; R40-E44 WeakPolarHBondContact O-CG 3.14Å; R40-E44 PolarHBondContact O-N 3.01Å
41K85.6Confident77Confident100 Ų10085.4 Ų85.444%0.43545%0.448SS..Hα-helixtrans-59.7-46.7177.3-74.4179.4171.6-166.30112.5D37 C38 K43 E44 E45D37-K41 WeakPolarHBondContact O-CG 3.47Å; D37-K41 PolarHBondContact O-N 3.37Å; D37-K41 VanDerWaalsContact O-N 3.08Å; C38-K41 PolarHBondContact O-N 2.94Å; C38-K41 VanDerWaalsContact O-N 3.12Å; K41-K43 VanDerWaalsContact C-N 3.26Å; K41-K43 PolarHBondContact O-N 3.45Å; K41-E44 WeakPolarHBondContact O-CB 3.39Å; K41-E44 PolarHBondContact O-N 3.26Å; K41-E44 VanDerWaalsContact O-N 3.08Å; K41-E45 WeakPolarHBondContact O-CG 3.43Å; K41-E45 PolarHBondContact O-N 3.46Å
42L85Confident76.5Confident25 Ų2593.5 Ų93.513%0.13148%0.482CS..Hα-helixtrans-60.6-37.1179.2-66.8177.3000112C38 E45 E46C38-L42 WeakPolarHBondContact O-CG 3.44Å; C38-L42 PolarHBondContact O-N 3.29Å; L42-E45 PolarHBondContact O-N 2.84Å; L42-E46 WeakPolarHBondContact O-CB 3.2Å; L42-E46 VanDerWaalsContact O-CG 3.31Å; L42-E46 WeakPolarHBondContact O-CG 3.33Å; L42-E46 PolarHBondContact O-N 3.08Å
43K84.6Confident76Confident136 Ų13695.4 Ų95.459%0.59149%0.49SS*.Hα-helixtrans-68.8-37.7174.2-75.1177.3179.2-175.60113.2V39 R40 K41 E45 A47V39-K43 HydrophobicContact CG1-CD 4.37Å; V39-K43 VanDerWaalsContact O-CG 3.31Å; V39-K43 WeakPolarHBondContact O-CG 3.19Å; V39-K43 PolarHBondContact O-N 3.17Å; R40-K43 PolarHBondContact O-N 3.38Å; K41-K43 VanDerWaalsContact C-N 3.26Å; K41-K43 PolarHBondContact O-N 3.45Å; K43-E45 VanDerWaalsContact C-N 3.33Å; K43-A47 WeakPolarHBondContact O-CB 3.42Å; K43-A47 PolarHBondContact O-N 3.2Å; K43-A47 VanDerWaalsContact O-N 3.08Å
44E83.8Confident75.7Confident105 Ų10594.6 Ų94.649%0.49150%0.498SS..Hα-helixtrans-64.9-40175.4-71.4167-17000110.5R40 K41 A47 A48R40-E44 VanDerWaalsContact CG-OE1 3.31Å; R40-E44 WeakPolarHBondContact CG-OE1 3.32Å; R40-E44 IonicContact NH1-OE1 3.87Å; R40-E44 PolarHBondContact NH1-OE1 3.04Å; R40-E44 VanDerWaalsContact NH1-OE1 3.09Å; R40-E44 IonicContact NH1-OE2 3.61Å; R40-E44 WeakPolarHBondContact O-CG 3.14Å; R40-E44 PolarHBondContact O-N 3.01Å; K41-E44 WeakPolarHBondContact O-CB 3.39Å; K41-E44 PolarHBondContact O-N 3.26Å; K41-E44 VanDerWaalsContact O-N 3.08Å; E44-A47 PolarHBondContact O-N 3.4Å; E44-A48 WeakPolarHBondContact O-CB 3.35Å; E44-A48 PolarHBondContact O-N 3.19Å
45E78.3Confident76Confident77 Ų7794.6 Ų94.636%0.3650%0.504SS..Hα-helixtrans-68.8-42.1175.8-71.3173.8-172.300112.7K41 L42 K43 A47 A48 G49K41-E45 WeakPolarHBondContact O-CG 3.43Å; K41-E45 PolarHBondContact O-N 3.46Å; L42-E45 PolarHBondContact O-N 2.84Å; K43-E45 VanDerWaalsContact C-N 3.33Å; E45-A47 VanDerWaalsContact C-N 3.28Å; E45-A47 PolarHBondContact O-N 2.87Å; E45-A48 PolarHBondContact O-N 3.44Å; E45-G49 PolarHBondContact O-N 2.96Å; E45-G49 VanDerWaalsContact O-N 3.13Å
46E75.6Confident76.2Confident142 Ų14289.7 Ų89.766%0.66449%0.486SS*.Hα-helixtrans-62.6-34.4174.4-78177.917000112.4L42 A48L42-E46 WeakPolarHBondContact O-CB 3.2Å; L42-E46 VanDerWaalsContact O-CG 3.31Å; L42-E46 WeakPolarHBondContact O-CG 3.33Å; L42-E46 PolarHBondContact O-N 3.08Å; E46-A48 VanDerWaalsContact C-N 3.3Å
47A76.9Confident76.3Confident93 Ų9393.9 Ų93.977%0.76950%0.495SS*.Hα-helixtrans-75.3-18.9176.900000113.5K43 E44 E45K43-A47 WeakPolarHBondContact O-CB 3.42Å; K43-A47 PolarHBondContact O-N 3.2Å; K43-A47 VanDerWaalsContact O-N 3.08Å; E44-A47 PolarHBondContact O-N 3.4Å; E45-A47 VanDerWaalsContact C-N 3.28Å; E45-A47 PolarHBondContact O-N 2.87Å
48A70.9Confident76.3Confident88 Ų8892.2 Ų92.273%0.72749%0.491SS*.Hα-helixtrans-98.2-16.5-178.200000113.9E44 E45 E46E44-A48 WeakPolarHBondContact O-CB 3.35Å; E44-A48 PolarHBondContact O-N 3.19Å; E45-A48 PolarHBondContact O-N 3.44Å; E46-A48 VanDerWaalsContact C-N 3.3Å
49G62.9Low76.3Confident44 Ų4494.7 Ų94.745%0.45451%0.506SS..  trans-89.7136.8-17700000114.3E45E45-G49 PolarHBondContact O-N 2.96Å; E45-G49 VanDerWaalsContact O-N 3.13Å
50D55.6Low76.1Confident140 Ų14094.1 Ų94.175%0.74950%0.498SS*.  trans-80.2147.1168.2-166.425.6000110.1K52D50-K52 PolarHBondContact O-N 3.46Å
51D55.5Low75.6Confident167 Ų16790.4 Ų90.489%0.89349%0.487SS*.SBendtrans-69.621.2-160.6-122.5-15.8000115.9
52K58.9Low74.8Confident191 Ų19192 Ų9283%0.8350%0.5SS*.  trans-137.379.2-176.2-75.4-176.6179.5173.30112.6D50D50-K52 PolarHBondContact O-N 3.46Å
53E59.6Low74.2Confident119 Ų11992.6 Ų92.656%0.55650%0.503SS*.  trans-137.9128.5169-76.8-179.9152.500112.3R68E53-R68 IonicContact OE2-CZ 3.68Å; E53-R68 IonicContact OE2-NE 4Å; E53-R68 IonicContact OE2-NH1 3.07Å; E53-R68 PolarHBondContact OE2-NH1 2.97Å; E53-R68 IonicContact OE2-NH2 3.48Å; E53-R68 PolarHBondContact OE2-NH2 3.46Å
54S72.3Confident74.1Confident90 Ų9086.3 Ų86.363%0.62948%0.477SS*.  trans-81.5121.2175.342.60000110.7
55G81.8Confident74.2Confident25 Ų2582.7 Ų82.726%0.25846%0.463SS..SBendtrans156.8-165.6177.100000113.3A69G55-A69 CarbonylContact C-O 3.52Å; G55-A69 WeakPolarHBondContact CA-O 3.34Å
56C84.8Confident74.7Confident7 Ų779 Ų795%0.04745%0.446CS..BIsolated β-bridgetrans-94.9130.8177-58.10000110.5R68 A69 C97 W102C56-R68 WeakPolarHBondContact O-CG 3.27Å; C56-A69 PolarHBondContact N-O 3.26Å; C56-A69 PolarHBondContact O-N 3Å; C56-A69 VanDerWaalsContact O-N 3.17Å; C56-C97 HydrophobicContact CB-CB 3.82Å; C56-C97 WeakPolarHBondContact CB-SG 3.37Å; C56-C97 PolarHBondContact N-SG 3.44Å; C56-C97 WeakPolarHBondContact SG-CA 3.42Å; C56-C97 WeakPolarHBondContact SG-CB 3.46Å; C56-C97 CovalentContact SG-SG 2.04Å; C56-C97 PolarHBondContact SG-SG 3.44Å; C56-W102 HydrophobicContact CB-CD2 3.89Å; C56-W102 VanDerWaalsContact CB-CE2 3.45Å; C56-W102 HydrophobicContact CB-CE3 4.49Å; C56-W102 HydrophobicContact CB-CG 4.29Å; C56-W102 HydrophobicContact CB-CH2 4.36Å; C56-W102 HydrophobicContact CB-CZ2 3.72Å
57R85.2Confident75.2Confident195 Ų19575.3 Ų75.374%0.73643%0.43SS*.PPolyproline II helixtrans-70.5146.7174.8-63.9-171.8-138.7-132-0.1111.1W102R57-W102 PolarHBondContact O-NE1 2.97Å
58G85.1Confident75.6Confident20 Ų2075.9 Ų75.921%0.20641%0.413CS..PPolyproline II helixtrans-61.3142.7171.200000111.4W66G58-W66 CarbonylContact C-O 3.52Å; G58-W66 WeakPolarHBondContact CA-O 3.28Å
59T86.6Confident76.3Confident55 Ų5571.9 Ų71.934%0.33738%0.379SS..EExtended strand (participates in β ladder)trans-152.2153.2-173.3-169.60000112.1W66T59-W66 HydrophobicContact CG2-CB 4.33Å; T59-W66 PolarHBondContact N-O 3.27Å; T59-W66 PolarHBondContact O-N 3.48Å
60W82.5Confident77.5Confident41 Ų4176.3 Ų76.316%0.15539%0.388CS..EExtended strand (participates in β ladder)trans-99.7120.3172.2176.8-102000109.8V31 D34 R35 C38 N62 A64 C65V31-W60 HydrophobicContact CG1-CZ2 4.1Å; D34-W60 HydrophobicContact CB-CH2 3.95Å; D34-W60 HydrophobicContact CB-CZ3 4.37Å; R35-W60 HydrophobicContact CB-CD2 4.23Å; R35-W60 HydrophobicContact CB-CH2 4.21Å; R35-W60 HydrophobicContact CB-CZ2 3.69Å; R35-W60 HydrophobicContact CG-CD2 4.24Å; R35-W60 HydrophobicContact CG-CG 4.33Å; R35-W60 HydrophobicContact CG-CZ2 4.4Å; C38-W60 HydrophobicContact CB-CE3 3.66Å; C38-W60 HydrophobicContact CB-CZ3 4.1Å; W60-N62 VanDerWaalsContact NE1-CA 3.27Å; W60-N62 PolarHBondContact O-N 2.95Å; W60-A64 VanDerWaalsContact CE3-O 3.22Å; W60-C65 HydrophobicContact CE3-CB 4.02Å; W60-C65 HydrophobicContact CZ3-CB 4.13Å
61D76.6Confident79Confident39 Ų3974.9 Ų74.921%0.20938%0.376CS..  trans-98.329.6-175.276.9-7.6000114I63 A64 W66D61-I63 PolarHBondContact O-N 3.41Å; D61-I63 WeakPolarHBondContact OD1-CG2 3.43Å; D61-I63 PolarHBondContact OD1-N 3.32Å; D61-A64 PolarHBondContact N-O 3.25Å; D61-A64 VanDerWaalsContact N-O 3.15Å; D61-A64 WeakPolarHBondContact OD1-CA 3.4Å; D61-A64 PolarHBondContact OD1-N 2.93Å; D61-A64 VanDerWaalsContact OD1-O 3.04Å; D61-W66 VanDerWaalsContact CG-NE1 3.28Å; D61-W66 PolarHBondContact OD2-NE1 3.38Å
62N68.4Low80.4Confident133 Ų13369.8 Ų69.871%0.71136%0.362SS*.SBendtrans74.5-15.8-174.2-51.5-59.6000115.8W60W60-N62 VanDerWaalsContact NE1-CA 3.27Å; W60-N62 PolarHBondContact O-N 2.95Å
63I71.6Confident81.7Confident37 Ų3765 Ų6519%0.1934%0.343CS..SBendtrans-134.4-27.1-177.8-162.479.5000113.4F27 V31 D61 P80 L83 I109F27-I63 HydrophobicContact CE2-CD1 4.05Å; F27-I63 HydrophobicContact CZ-CD1 3.57Å; V31-I63 HydrophobicContact CG2-CD1 4.18Å; D61-I63 PolarHBondContact O-N 3.41Å; D61-I63 WeakPolarHBondContact OD1-CG2 3.43Å; D61-I63 PolarHBondContact OD1-N 3.32Å; I63-P80 HydrophobicContact CG1-CG 4.29Å; I63-P80 WeakPolarHBondContact O-CG 3.45Å; I63-L83 HydrophobicContact CD1-CD1 4.49Å; I63-L83 HydrophobicContact CG1-CD1 4.08Å; I63-I109 HydrophobicContact CG2-CD1 3.97Å
64A83.8Confident83.1Confident5 Ų562.9 Ų62.94%0.04134%0.338CS..  trans-140.1152.6-176.300000112W60 D61 I77 P80 I93W60-A64 VanDerWaalsContact CE3-O 3.22Å; D61-A64 PolarHBondContact N-O 3.25Å; D61-A64 VanDerWaalsContact N-O 3.15Å; D61-A64 WeakPolarHBondContact OD1-CA 3.4Å; D61-A64 PolarHBondContact OD1-N 2.93Å; D61-A64 VanDerWaalsContact OD1-O 3.04Å; A64-I77 HydrophobicContact CB-CD1 3.58Å; A64-P80 HydrophobicContact CB-CG 4.05Å; A64-I93 HydrophobicContact CB-CD1 4.49Å
65C86Confident83.8Confident29 Ų2959.4 Ų59.420%0.19631%0.313CS..EExtended strand (participates in β ladder)trans-94125.2175.1-163.80000109.4C38 W60C38-C65 WeakPolarHBondContact CA-SG 3.27Å; C38-C65 HydrophobicContact CB-CB 3.53Å; C38-C65 WeakPolarHBondContact CB-SG 3.41Å; C38-C65 VanDerWaalsContact SG-CA 3.54Å; C38-C65 WeakPolarHBondContact SG-CB 3.39Å; C38-C65 CovalentContact SG-SG 2.02Å; C38-C65 PolarHBondContact SG-SG 2.88Å; W60-C65 HydrophobicContact CE3-CB 4.02Å; W60-C65 HydrophobicContact CZ3-CB 4.13Å
66W87.7Confident84.2Confident0 Ų062 Ų620%032%0.324CS..EExtended strand (participates in β ladder)trans-106.1118.4172.9-61.895.2000108.7G58 T59 D61 V75 I77 I93 R95 W102 V105G58-W66 CarbonylContact C-O 3.52Å; G58-W66 WeakPolarHBondContact CA-O 3.28Å; T59-W66 HydrophobicContact CG2-CB 4.33Å; T59-W66 PolarHBondContact N-O 3.27Å; T59-W66 PolarHBondContact O-N 3.48Å; D61-W66 VanDerWaalsContact CG-NE1 3.28Å; D61-W66 PolarHBondContact OD2-NE1 3.38Å; W66-V75 HydrophobicContact CE3-CB 4.16Å; W66-V75 HydrophobicContact CE3-CG1 3.9Å; W66-V75 HydrophobicContact CZ3-CB 4.32Å; W66-V75 HydrophobicContact CZ3-CG1 4.16Å; W66-I77 HydrophobicContact CD2-CD1 4.23Å; W66-I77 HydrophobicContact CE3-CD1 4.18Å; W66-I77 HydrophobicContact CH2-CD1 3.69Å; W66-I77 HydrophobicContact CH2-CG1 3.79Å; W66-I77 HydrophobicContact CZ2-CD1 3.74Å; W66-I77 HydrophobicContact CZ2-CG1 4.31Å; W66-I77 HydrophobicContact CZ3-CD1 3.93Å; W66-I77 HydrophobicContact CZ3-CG1 3.97Å; W66-I93 HydrophobicContact CH2-CD1 4.33Å; W66-I93 HydrophobicContact CH2-CG1 4.13Å; W66-I93 HydrophobicContact CZ2-CD1 4.14Å; W66-I93 HydrophobicContact CZ2-CG1 4.45Å; W66-R95 HydrophobicContact CD2-CG 4.22Å; W66-R95 HydrophobicContact CE3-CB 4.03Å; W66-R95 HydrophobicContact CE3-CG 4.1Å; W66-R95 HydrophobicContact CH2-CB 4.04Å; W66-R95 HydrophobicContact CH2-CG 3.48Å; W66-R95 VanDerWaalsContact CH2-CG 3.48Å; W66-R95 HydrophobicContact CZ2-CB 4.5Å; W66-R95 HydrophobicContact CZ2-CG 3.58Å; W66-R95 HydrophobicContact CZ3-CB 3.77Å; W66-R95 HydrophobicContact CZ3-CG 3.74Å; W66-W102 HydrophobicContact CB-CH2 4.48Å; W66-W102 HydrophobicContact CB-CZ2 4.28Å; W66-V105 HydrophobicContact CZ2-CG2 4.04Å
67D87.1Confident84.3Confident64 Ų6462.8 Ų62.834%0.34233%0.328SS..  trans-72.6166.7174.8-57.3-31.3000110W102D67-W102 WeakPolarHBondContact O-CH2 3.4Å; D67-W102 WeakPolarHBondContact O-CZ2 3.36Å
68R85.4Confident84.3Confident105 Ų10557.9 Ų57.940%0.39632%0.321SS..  trans-62.5145.7178.6-157.7174.7-149.9-100.818.7111.2E53 C56E53-R68 IonicContact OE2-CZ 3.68Å; E53-R68 IonicContact OE2-NE 4Å; E53-R68 IonicContact OE2-NH1 3.07Å; E53-R68 PolarHBondContact OE2-NH1 2.97Å; E53-R68 IonicContact OE2-NH2 3.48Å; E53-R68 PolarHBondContact OE2-NH2 3.46Å; C56-R68 WeakPolarHBondContact O-CG 3.27Å
69A86Confident84.1Confident4 Ų457.4 Ų57.43%0.03331%0.314CS..BIsolated β-bridgetrans-144.4147.5-178.700000112.6G55 C56 E73 V75 C97 W102G55-A69 CarbonylContact C-O 3.52Å; G55-A69 WeakPolarHBondContact CA-O 3.34Å; C56-A69 PolarHBondContact N-O 3.26Å; C56-A69 PolarHBondContact O-N 3Å; C56-A69 VanDerWaalsContact O-N 3.17Å; A69-E73 WeakPolarHBondContact CA-OE2 3.42Å; A69-E73 HydrophobicContact CB-CB 4.3Å; A69-V75 HydrophobicContact CB-CG2 3.62Å; A69-C97 HydrophobicContact CB-CB 4.02Å; A69-W102 HydrophobicContact CB-CH2 3.52Å; A69-W102 HydrophobicContact CB-CZ2 4.25Å; A69-W102 HydrophobicContact CB-CZ3 4.13Å
70E86.4Confident83.8Confident137 Ų13755.4 Ų55.464%0.6430%0.302SS*.  trans-80.5162.4175.1-65.7-172.9179.100112.1G72 E73 C97E70-G72 PolarHBondContact O-N 3.38Å; E70-E73 PolarHBondContact N-OE2 3.38Å; E70-E73 VanDerWaalsContact O-CB 3.26Å; E70-E73 WeakPolarHBondContact O-CB 3.39Å; E70-E73 PolarHBondContact O-N 3.03Å; E70-C97 WeakPolarHBondContact O-CB 3.38Å
71F87.9Confident83.3Confident110 Ų11061 Ų6148%0.48232%0.323SS..THydrogen-bonded Turntrans-61.4124.6178-70.9-55.6000111.7T98F71-T98 WeakPolarHBondContact CD1-O 3.5Å; F71-T98 WeakPolarHBondContact CE1-O 3.46Å
72G83.9Confident82.8Confident59 Ų5959.2 Ų59.261%0.60831%0.314SS*.THydrogen-bonded Turntrans89-3.9-17700000114.4E70 C97E70-G72 PolarHBondContact O-N 3.38Å; G72-C97 PolarHBondContact N-O 3.35Å
73E87.4Confident82.7Confident92 Ų9254 Ų5443%0.4329%0.286SS..  trans-80137.7176.6-171.2179.1-17400111.6A69 E70 N96 C97A69-E73 WeakPolarHBondContact CA-OE2 3.42Å; A69-E73 HydrophobicContact CB-CB 4.3Å; E70-E73 PolarHBondContact N-OE2 3.38Å; E70-E73 VanDerWaalsContact O-CB 3.26Å; E70-E73 WeakPolarHBondContact O-CB 3.39Å; E70-E73 PolarHBondContact O-N 3.03Å; E73-N96 PolarHBondContact O-OD1 3.21Å; E73-N96 VanDerWaalsContact O-OD1 3.1Å; E73-C97 PolarHBondContact O-N 3.43Å
74T88.3Confident82.6Confident73 Ų7357 Ų5745%0.44830%0.297SS..EExtended strand (participates in β ladder)trans-106.2111.7174.9-58.50000110.5R95T74-R95 CarbonylContact C-O 3.57Å; T74-R95 WeakPolarHBondContact CA-O 3.49Å
75V88.4Confident81.5Confident17 Ų1761.8 Ų61.810%0.10332%0.322CS..EExtended strand (participates in β ladder)trans-84.7128.5175.2179.70000108.9W66 A69 I77 S94 R95 W102W66-V75 HydrophobicContact CE3-CB 4.16Å; W66-V75 HydrophobicContact CE3-CG1 3.9Å; W66-V75 HydrophobicContact CZ3-CB 4.32Å; W66-V75 HydrophobicContact CZ3-CG1 4.16Å; A69-V75 HydrophobicContact CB-CG2 3.62Å; V75-I77 HydrophobicContact CG1-CG2 4.2Å; V75-S94 CarbonylContact O-C 3.19Å; V75-S94 WeakPolarHBondContact O-CA 3.36Å; V75-R95 PolarHBondContact N-O 2.9Å; V75-R95 PolarHBondContact O-N 3.15Å; V75-W102 HydrophobicContact CB-CH2 4.43Å; V75-W102 HydrophobicContact CB-CZ3 4.38Å; V75-W102 HydrophobicContact CG2-CH2 3.85Å; V75-W102 HydrophobicContact CG2-CZ3 4.1Å
76T88.4Confident80.2Confident80 Ų8063.2 Ų63.249%0.49133%0.327SS..EExtended strand (participates in β ladder)trans-121.9123.9178.3-57.50000109.8N92 I93T76-N92 HydrophobicContact CG2-CB 3.75Å; T76-I93 WeakPolarHBondContact CA-O 3.36Å
77I87.3Confident79Confident24 Ų2466.5 Ų66.512%0.12334%0.341CS..EExtended strand (participates in β ladder)trans-121.6147.5178.961.7-179.2000110.6A64 W66 V75 N92 I93A64-I77 HydrophobicContact CB-CD1 3.58Å; W66-I77 HydrophobicContact CD2-CD1 4.23Å; W66-I77 HydrophobicContact CE3-CD1 4.18Å; W66-I77 HydrophobicContact CH2-CD1 3.69Å; W66-I77 HydrophobicContact CH2-CG1 3.79Å; W66-I77 HydrophobicContact CZ2-CD1 3.74Å; W66-I77 HydrophobicContact CZ2-CG1 4.31Å; W66-I77 HydrophobicContact CZ3-CD1 3.93Å; W66-I77 HydrophobicContact CZ3-CG1 3.97Å; V75-I77 HydrophobicContact CG1-CG2 4.2Å; I77-N92 WeakPolarHBondContact O-CA 3.37Å; I77-I93 HydrophobicContact CD1-CD1 4.01Å; I77-I93 HydrophobicContact CD1-CG1 4.12Å; I77-I93 HydrophobicContact CG1-CD1 3.95Å; I77-I93 HydrophobicContact CG1-CG1 3.5Å; I77-I93 PolarHBondContact N-O 2.93Å; I77-I93 PolarHBondContact O-N 3.43Å
78P84.7Confident77.7Confident92 Ų9268.5 Ų68.560%0.59736%0.36SS*.EExtended strand (participates in β ladder)trans-67160.1171.630.2-35000110.7G91P78-G91 CarbonylContact C-O 3.53Å
79C82.2Confident76.8Confident10 Ų1069.4 Ų69.47%0.06836%0.364CS..PPolyproline II helixtrans-49.5132.4173.6-700000110.4G91 C113C79-G91 PolarHBondContact N-O 2.83Å; C79-G91 PolarHBondContact SG-O 3.3Å; C79-C113 HydrophobicContact CB-CB 3.97Å; C79-C113 WeakPolarHBondContact CB-SG 3.18Å; C79-C113 WeakPolarHBondContact SG-CB 3.49Å; C79-C113 CovalentContact SG-SG 2.04Å; C79-C113 PolarHBondContact SG-SG 3.45Å
80P79.9Confident76Confident13 Ų1375.3 Ų75.38%0.08440%0.395CS..PPolyproline II helixtrans-47.3142.6176.9-31.334.3000112.6I63 A64 A82 L83 K84I63-P80 HydrophobicContact CG1-CG 4.29Å; I63-P80 WeakPolarHBondContact O-CG 3.45Å; A64-P80 HydrophobicContact CB-CG 4.05Å; P80-A82 PolarHBondContact O-N 3.02Å; P80-L83 HydrophobicContact CB-CD1 4.31Å; P80-L83 HydrophobicContact CB-CG 4.4Å; P80-L83 HydrophobicContact CG-CD1 4.06Å; P80-L83 WeakPolarHBondContact O-CA 3.26Å; P80-L83 PolarHBondContact O-N 3.06Å; P80-K84 PolarHBondContact O-N 3.19Å
81R71.9Confident75.7Confident159 Ų15969.4 Ų69.460%0.637%0.371SS*.Hα-helixtrans-58.1-38.7-176.2-68.5177.1-178.6164.30.2111.6L83 K84 L85R81-L83 VanDerWaalsContact C-N 3.31Å; R81-L83 PolarHBondContact O-N 2.83Å; R81-K84 PolarHBondContact O-N 3.38Å; R81-L85 WeakPolarHBondContact O-CB 3.15Å; R81-L85 PolarHBondContact O-N 2.69Å
82A65.3Low75.5Confident1 Ų169 Ų691%0.00837%0.374CS..Hα-helixtrans-58-40.8174.600000112.8F27 E30 V31 P80 L86F27-A82 HydrophobicContact CD2-CB 3.68Å; F27-A82 HydrophobicContact CE2-CB 3.91Å; E30-A82 HydrophobicContact CB-CB 4.03Å; E30-A82 HydrophobicContact CG-CB 4.29Å; V31-A82 HydrophobicContact CG2-CB 3.63Å; P80-A82 PolarHBondContact O-N 3.02Å; A82-L86 WeakPolarHBondContact O-CG 3.44Å; A82-L86 PolarHBondContact O-N 2.73Å
83L67.8Low75.6Confident22 Ų2266.2 Ų66.212%0.11535%0.345CS..Hα-helixtrans-76.5-35.9176.8-67.6174.4000112F27 I63 P80 R81 L85 L86 F87 I109 C113F27-L83 HydrophobicContact CE2-CD2 3.67Å; F27-L83 HydrophobicContact CE2-CG 4.17Å; F27-L83 HydrophobicContact CZ-CD2 4.3Å; I63-L83 HydrophobicContact CD1-CD1 4.49Å; I63-L83 HydrophobicContact CG1-CD1 4.08Å; P80-L83 HydrophobicContact CB-CD1 4.31Å; P80-L83 HydrophobicContact CB-CG 4.4Å; P80-L83 HydrophobicContact CG-CD1 4.06Å; P80-L83 WeakPolarHBondContact O-CA 3.26Å; P80-L83 PolarHBondContact O-N 3.06Å; R81-L83 VanDerWaalsContact C-N 3.31Å; R81-L83 PolarHBondContact O-N 2.83Å; L83-L85 VanDerWaalsContact C-N 3.34Å; L83-L86 PolarHBondContact O-N 2.9Å; L83-F87 HydrophobicContact CB-CD2 4.36Å; L83-F87 HydrophobicContact CD2-CD2 4.03Å; L83-F87 HydrophobicContact CD2-CE2 3.65Å; L83-F87 WeakPolarHBondContact O-CB 3.36Å; L83-F87 WeakPolarHBondContact O-CD2 3.34Å; L83-F87 PolarHBondContact O-N 3.47Å; L83-I109 HydrophobicContact CD1-CD1 4.06Å; L83-I109 HydrophobicContact CD1-CG1 4.18Å; L83-C113 HydrophobicContact CB-CB 4.48Å; L83-C113 HydrophobicContact CD1-CB 4.09Å
84K68.9Low75.7Confident100 Ų10063 Ų6344%0.43533%0.333SS..Hα-helixtrans-63.8-39.7175.1-176.3171.3173.1161.70111.9P80 R81 L86 S88 N90P80-K84 PolarHBondContact O-N 3.19Å; R81-K84 PolarHBondContact O-N 3.38Å; K84-L86 VanDerWaalsContact C-N 3.32Å; K84-S88 VanDerWaalsContact O-CA 3.23Å; K84-S88 WeakPolarHBondContact O-CA 3.38Å; K84-S88 PolarHBondContact O-N 3.25Å; K84-N90 WeakPolarHBondContact CE-OD1 3.49Å; K84-N90 PolarHBondContact NZ-OD1 3.02Å
85L61.3Low75.7Confident107 Ų10761.4 Ų61.456%0.5632%0.319SS*.Hα-helixtrans-67.3-33.1176.7-170.568.7000112.2N26 R81 L83N26-L85 WeakPolarHBondContact ND2-CD2 3.38Å; R81-L85 WeakPolarHBondContact O-CB 3.15Å; R81-L85 PolarHBondContact O-N 2.69Å; L83-L85 VanDerWaalsContact C-N 3.34Å
86L57.8Low75.8Confident58 Ų5863.3 Ų63.330%0.30433%0.328SS..Hα-helixtrans-81-42.4179.1-75.2-176.3000113.6P23 F27 A82 L83 K84P23-L86 HydrophobicContact CB-CD2 3.39Å; F27-L86 HydrophobicContact CB-CD1 3.81Å; F27-L86 HydrophobicContact CB-CG 4.37Å; F27-L86 HydrophobicContact CD2-CD1 3.34Å; F27-L86 HydrophobicContact CD2-CG 4.21Å; F27-L86 HydrophobicContact CE2-CD1 4.07Å; F27-L86 HydrophobicContact CG-CD1 3.73Å; A82-L86 WeakPolarHBondContact O-CG 3.44Å; A82-L86 PolarHBondContact O-N 2.73Å; L83-L86 PolarHBondContact O-N 2.9Å; K84-L86 VanDerWaalsContact C-N 3.32Å
87F63.7Low75.8Confident69 Ų6959.5 Ų59.530%0.30331%0.305SS..Hα-helixtrans-113.6-4.5-166.9-57.1-60.9000113.7L83 R89 C113 L115L83-F87 HydrophobicContact CB-CD2 4.36Å; L83-F87 HydrophobicContact CD2-CD2 4.03Å; L83-F87 HydrophobicContact CD2-CE2 3.65Å; L83-F87 WeakPolarHBondContact O-CB 3.36Å; L83-F87 WeakPolarHBondContact O-CD2 3.34Å; L83-F87 PolarHBondContact O-N 3.47Å; F87-R89 PolarHBondContact O-N 3.36Å; F87-C113 WeakPolarHBondContact CD2-O 3.33Å; F87-L115 HydrophobicContact CD1-CB 4.16Å; F87-L115 HydrophobicContact CD1-CD1 3.45Å; F87-L115 VanDerWaalsContact CD1-CD1 3.45Å; F87-L115 HydrophobicContact CD1-CG 4.4Å; F87-L115 HydrophobicContact CE1-CB 3.95Å; F87-L115 HydrophobicContact CE1-CD1 3.64Å; F87-L115 HydrophobicContact CE1-CG 4.3Å
88S59.7Low75.8Confident106 Ų10661 Ų6174%0.74132%0.315SS*.  trans48.925.3178.7-64.90000114.7K84K84-S88 VanDerWaalsContact O-CA 3.23Å; K84-S88 WeakPolarHBondContact O-CA 3.38Å; K84-S88 PolarHBondContact O-N 3.25Å
89R66.3Low75.8Confident124 Ų12461.2 Ų61.247%0.46833%0.325SS..  trans-101.6135.9176.4-87.2-173.5161.8-175.8-5.5110.6F87F87-R89 PolarHBondContact O-N 3.36Å
90N69.6Low75.9Confident129 Ų12965.7 Ų65.769%0.6936%0.362SS*.  trans-100.9121.1169.4-63.9-40.4000107.8K84K84-N90 WeakPolarHBondContact CE-OD1 3.49Å; K84-N90 PolarHBondContact NZ-OD1 3.02Å
91G78.3Confident76.1Confident13 Ų1366.3 Ų66.313%0.13437%0.371CS..  trans-154.5166.1173.400000109.5P78 C79P78-G91 CarbonylContact C-O 3.53Å; C79-G91 PolarHBondContact N-O 2.83Å; C79-G91 PolarHBondContact SG-O 3.3Å
92N84.8Confident76.8Confident101 Ų10161.2 Ų61.254%0.5435%0.352SS..EExtended strand (participates in β ladder)trans-117.3138-179.2-66.9-1.6000109.2T76 I77T76-N92 HydrophobicContact CG2-CB 3.75Å; I77-N92 WeakPolarHBondContact O-CA 3.37Å
93I86.9Confident77.8Confident0 Ų062.9 Ų62.90%036%0.364CS..EExtended strand (participates in β ladder)trans-114.1145.7173.358.9175.2000108.6A64 W66 T76 I77 V105 I109A64-I93 HydrophobicContact CB-CD1 4.49Å; W66-I93 HydrophobicContact CH2-CD1 4.33Å; W66-I93 HydrophobicContact CH2-CG1 4.13Å; W66-I93 HydrophobicContact CZ2-CD1 4.14Å; W66-I93 HydrophobicContact CZ2-CG1 4.45Å; T76-I93 WeakPolarHBondContact CA-O 3.36Å; I77-I93 HydrophobicContact CD1-CD1 4.01Å; I77-I93 HydrophobicContact CD1-CG1 4.12Å; I77-I93 HydrophobicContact CG1-CD1 3.95Å; I77-I93 HydrophobicContact CG1-CG1 3.5Å; I77-I93 PolarHBondContact N-O 2.93Å; I77-I93 PolarHBondContact O-N 3.43Å; I93-V105 HydrophobicContact CB-CG1 3.84Å; I93-V105 HydrophobicContact CD1-CG1 4.37Å; I93-V105 HydrophobicContact CG2-CG1 4.3Å; I93-I109 HydrophobicContact CD1-CD1 3.85Å; I93-I109 HydrophobicContact CG2-CG1 4.44Å
94S87.7Confident78.6Confident26 Ų2670.1 Ų70.118%0.18240%0.397CS..EExtended strand (participates in β ladder)trans-134.4149.1-175.264.70000112.5V75 F106V75-S94 CarbonylContact O-C 3.19Å; V75-S94 WeakPolarHBondContact O-CA 3.36Å; S94-F106 PolarHBondContact N-O 2.95Å; S94-F106 PolarHBondContact O-N 2.95Å; S94-F106 PolarHBondContact OG-O 3.47Å
95R88.6Confident79.3Confident39 Ų3967.3 Ų67.315%0.14739%0.388CS..EExtended strand (participates in β ladder)trans-133.4143.4170.8-70.2-17889.4169.45.6109.7W66 T74 V75 W102 S103 V105W66-R95 HydrophobicContact CD2-CG 4.22Å; W66-R95 HydrophobicContact CE3-CB 4.03Å; W66-R95 HydrophobicContact CE3-CG 4.1Å; W66-R95 HydrophobicContact CH2-CB 4.04Å; W66-R95 HydrophobicContact CH2-CG 3.48Å; W66-R95 VanDerWaalsContact CH2-CG 3.48Å; W66-R95 HydrophobicContact CZ2-CB 4.5Å; W66-R95 HydrophobicContact CZ2-CG 3.58Å; W66-R95 HydrophobicContact CZ3-CB 3.77Å; W66-R95 HydrophobicContact CZ3-CG 3.74Å; T74-R95 CarbonylContact C-O 3.57Å; T74-R95 WeakPolarHBondContact CA-O 3.49Å; V75-R95 PolarHBondContact N-O 2.9Å; V75-R95 PolarHBondContact O-N 3.15Å; R95-W102 HydrophobicContact CB-CE3 3.86Å; R95-W102 HydrophobicContact CB-CZ3 4.12Å; R95-S103 PolarHBondContact NE-O 3.23Å; R95-S103 PolarHBondContact NH2-O 3.42Å; R95-V105 HydrophobicContact CG-CB 4.39Å; R95-V105 HydrophobicContact CG-CG2 3.78Å
96N90Very high80.1Confident57 Ų5769.3 Ų69.331%0.30539%0.393SS..EExtended strand (participates in β ladder)trans-103.1136176-169.21.8000109.9E73 S103E73-N96 PolarHBondContact O-OD1 3.21Å; E73-N96 VanDerWaalsContact O-OD1 3.1Å; N96-S103 PolarHBondContact N-OG 3.17Å; N96-S103 WeakPolarHBondContact O-CB 3.44Å; N96-S103 PolarHBondContact O-N 3.46Å; N96-S103 PolarHBondContact O-OG 3.1Å
97C89.4Confident81.3Confident0 Ų068.7 Ų68.70%039%0.392CS..EExtended strand (participates in β ladder)trans-85.8118.3172.5176.50000110.5C56 A69 E70 G72 E73 W102C56-C97 HydrophobicContact CB-CB 3.82Å; C56-C97 WeakPolarHBondContact CB-SG 3.37Å; C56-C97 PolarHBondContact N-SG 3.44Å; C56-C97 WeakPolarHBondContact SG-CA 3.42Å; C56-C97 WeakPolarHBondContact SG-CB 3.46Å; C56-C97 CovalentContact SG-SG 2.04Å; C56-C97 PolarHBondContact SG-SG 3.44Å; A69-C97 HydrophobicContact CB-CB 4.02Å; E70-C97 WeakPolarHBondContact O-CB 3.38Å; G72-C97 PolarHBondContact N-O 3.35Å; E73-C97 PolarHBondContact O-N 3.43Å; C97-W102 HydrophobicContact CB-CE3 4.46Å; C97-W102 HydrophobicContact CB-CZ3 4.33Å
98T88.1Confident82Confident55 Ų5570.1 Ų70.134%0.33740%0.403SS..EExtended strand (participates in β ladder)trans-112.7166.4179.272.50000111.4F71 A100 G101F71-T98 WeakPolarHBondContact CD1-O 3.5Å; F71-T98 WeakPolarHBondContact CE1-O 3.46Å; T98-A100 PolarHBondContact O-N 3.1Å; T98-A100 VanDerWaalsContact O-N 3.09Å; T98-A100 PolarHBondContact OG1-N 2.99Å; T98-G101 PolarHBondContact N-O 3.13Å; T98-G101 PolarHBondContact O-N 2.88Å; T98-G101 PolarHBondContact OG1-N 3.37Å; T98-G101 PolarHBondContact OG1-O 3.07Å
99A84.5Confident82.5Confident97 Ų9767.4 Ų67.480%0.80238%0.379SS*.THydrogen-bonded Turntrans-58.3-21.7174.300000113.6
100A83.1Confident82.5Confident103 Ų10365.1 Ų65.185%0.85138%0.382SS*.THydrogen-bonded Turntrans-90.9-2.6175.400000113.6T98T98-A100 PolarHBondContact O-N 3.1Å; T98-A100 VanDerWaalsContact O-N 3.09Å; T98-A100 PolarHBondContact OG1-N 2.99Å
101G84.6Confident82.6Confident27 Ų2762.4 Ų62.428%0.27837%0.374SS..EExtended strand (participates in β ladder)trans113-161.4-175.400000113.4T98T98-G101 PolarHBondContact N-O 3.13Å; T98-G101 PolarHBondContact O-N 2.88Å; T98-G101 PolarHBondContact OG1-N 3.37Å; T98-G101 PolarHBondContact OG1-O 3.07Å
102W86.6Confident82.3Confident51 Ų5163.3 Ų63.319%0.19338%0.377CS..EExtended strand (participates in β ladder)trans-68.8131.3-178.6-72109.7000112.7C56 R57 W66 D67 A69 V75 R95 C97C56-W102 HydrophobicContact CB-CD2 3.89Å; C56-W102 VanDerWaalsContact CB-CE2 3.45Å; C56-W102 HydrophobicContact CB-CE3 4.49Å; C56-W102 HydrophobicContact CB-CG 4.29Å; C56-W102 HydrophobicContact CB-CH2 4.36Å; C56-W102 HydrophobicContact CB-CZ2 3.72Å; R57-W102 PolarHBondContact O-NE1 2.97Å; W66-W102 HydrophobicContact CB-CH2 4.48Å; W66-W102 HydrophobicContact CB-CZ2 4.28Å; D67-W102 WeakPolarHBondContact O-CH2 3.4Å; D67-W102 WeakPolarHBondContact O-CZ2 3.36Å; A69-W102 HydrophobicContact CB-CH2 3.52Å; A69-W102 HydrophobicContact CB-CZ2 4.25Å; A69-W102 HydrophobicContact CB-CZ3 4.13Å; V75-W102 HydrophobicContact CB-CH2 4.43Å; V75-W102 HydrophobicContact CB-CZ3 4.38Å; V75-W102 HydrophobicContact CG2-CH2 3.85Å; V75-W102 HydrophobicContact CG2-CZ3 4.1Å; R95-W102 HydrophobicContact CB-CE3 3.86Å; R95-W102 HydrophobicContact CB-CZ3 4.12Å; C97-W102 HydrophobicContact CB-CE3 4.46Å; C97-W102 HydrophobicContact CB-CZ3 4.33Å
103S86.8Confident81.7Confident36 Ų3658.7 Ų58.725%0.25235%0.352SS..PPolyproline II helixtrans-67.7169.8171.577.50000112.4R95 N96R95-S103 PolarHBondContact NE-O 3.23Å; R95-S103 PolarHBondContact NH2-O 3.42Å; N96-S103 PolarHBondContact N-OG 3.17Å; N96-S103 WeakPolarHBondContact O-CB 3.44Å; N96-S103 PolarHBondContact O-N 3.46Å; N96-S103 PolarHBondContact O-OG 3.1Å
104E83.6Confident80.5Confident175 Ų17559.2 Ų59.282%0.81836%0.358SS*.PPolyproline II helixtrans-63.4155.3166.8-65-170168.900111.4
105V83.6Confident79Confident41 Ų4161.6 Ų61.625%0.24837%0.368CS..PPolyproline II helixtrans-73.4126.9-179.9-179.20000110W66 I93 R95W66-V105 HydrophobicContact CZ2-CG2 4.04Å; I93-V105 HydrophobicContact CB-CG1 3.84Å; I93-V105 HydrophobicContact CD1-CG1 4.37Å; I93-V105 HydrophobicContact CG2-CG1 4.3Å; R95-V105 HydrophobicContact CG-CB 4.39Å; R95-V105 HydrophobicContact CG-CG2 3.78Å
106F79.6Confident77.4Confident149 Ų14964.6 Ų64.665%0.65439%0.387SS*.BIsolated β-bridgetrans-129.2136.2178.4-176-94.3000111.4S94S94-F106 PolarHBondContact N-O 2.95Å; S94-F106 PolarHBondContact O-N 2.95Å; S94-F106 PolarHBondContact OG-O 3.47Å
107P81.3Confident75.8Confident44 Ų4466 Ų6629%0.28640%0.397SS..SBendcis-69.4165.7-10.9-5.822.5000111.4I109 V112P107-I109 PolarHBondContact O-N 3.16Å; P107-V112 HydrophobicContact CB-CG2 3.62Å; P107-V112 HydrophobicContact CG-CG2 3.74Å
108N78.2Confident74Confident99 Ų9975.9 Ų75.953%0.52944%0.435SS..  trans-53.5129.4-177.1-168.4-37.1000111.3S110 S111 V112N108-S110 PolarHBondContact O-N 3.2Å; N108-S110 VanDerWaalsContact O-N 3.08Å; N108-S110 PolarHBondContact OD1-N 3.37Å; N108-S110 PolarHBondContact OD1-OG 2.92Å; N108-S111 PolarHBondContact O-N 3.47Å; N108-S111 PolarHBondContact O-OG 3.26Å; N108-V112 PolarHBondContact O-N 3.12Å
109I71.7Confident72.3Confident49 Ų4980 Ų8025%0.25145%0.451SS..Hα-helixtrans-56.7-32.5-173.4-162.9154.2000112.9I63 L83 I93 P107 S111 C113 G114I63-I109 HydrophobicContact CG2-CD1 3.97Å; L83-I109 HydrophobicContact CD1-CD1 4.06Å; L83-I109 HydrophobicContact CD1-CG1 4.18Å; I93-I109 HydrophobicContact CD1-CD1 3.85Å; I93-I109 HydrophobicContact CG2-CG1 4.44Å; P107-I109 PolarHBondContact O-N 3.16Å; I109-S111 VanDerWaalsContact C-N 3.35Å; I109-S111 PolarHBondContact O-N 3.21Å; I109-C113 HydrophobicContact CG1-CB 4.2Å; I109-C113 WeakPolarHBondContact O-CA 3.13Å; I109-C113 WeakPolarHBondContact O-CB 2.98Å; I109-C113 PolarHBondContact O-N 3.01Å; I109-G114 PolarHBondContact O-N 3.09Å
110S66.8Low70.7Confident76 Ų7680 Ų8053%0.53143%0.434SS..Hα-helixtrans-73.1-23.3179.266.40000113.8N108 G114N108-S110 PolarHBondContact O-N 3.2Å; N108-S110 VanDerWaalsContact O-N 3.08Å; N108-S110 PolarHBondContact OD1-N 3.37Å; N108-S110 PolarHBondContact OD1-OG 2.92Å; S110-G114 CarbonylContact O-C 3.55Å; S110-G114 WeakPolarHBondContact O-CA 3.47Å; S110-G114 PolarHBondContact O-N 3.26Å
111S70.7Confident69.3Low73 Ų7381.7 Ų81.751%0.5142%0.422SS..Hα-helixtrans-86.8-31.4179.663.80000112.4N108 I109N108-S111 PolarHBondContact O-N 3.47Å; N108-S111 PolarHBondContact O-OG 3.26Å; I109-S111 VanDerWaalsContact C-N 3.35Å; I109-S111 PolarHBondContact O-N 3.21Å
112V71.9Confident67.9Low32 Ų3288.2 Ų88.219%0.19444%0.443CS..Hα-helixtrans-94.2-47.1-177.2-178.70000111.7P107 N108P107-V112 HydrophobicContact CB-CG2 3.62Å; P107-V112 HydrophobicContact CG-CG2 3.74Å; N108-V112 PolarHBondContact O-N 3.12Å
113C72.1Confident66.3Low3 Ų391.8 Ų91.82%0.0246%0.46CS..SBendtrans-104.8-1-177.2-50.40000112.8C79 L83 F87 I109C79-C113 HydrophobicContact CB-CB 3.97Å; C79-C113 WeakPolarHBondContact CB-SG 3.18Å; C79-C113 WeakPolarHBondContact SG-CB 3.49Å; C79-C113 CovalentContact SG-SG 2.04Å; C79-C113 PolarHBondContact SG-SG 3.45Å; L83-C113 HydrophobicContact CB-CB 4.48Å; L83-C113 HydrophobicContact CD1-CB 4.09Å; F87-C113 WeakPolarHBondContact CD2-O 3.33Å; I109-C113 HydrophobicContact CG1-CB 4.2Å; I109-C113 WeakPolarHBondContact O-CA 3.13Å; I109-C113 WeakPolarHBondContact O-CB 2.98Å; I109-C113 PolarHBondContact O-N 3.01Å
114G61.9Low64.8Low12 Ų1295.7 Ų95.712%0.12448%0.477CS..SBendtrans-104.1176-178.400000115.3I109 S110I109-G114 PolarHBondContact O-N 3.09Å; S110-G114 CarbonylContact O-C 3.55Å; S110-G114 WeakPolarHBondContact O-CA 3.47Å; S110-G114 PolarHBondContact O-N 3.26Å
115L56Low63.7Low75 Ų7591.7 Ų91.739%0.39346%0.464SS..  trans-86.9142.3-165.2-161.683.7000113.4F87 T117 E120F87-L115 HydrophobicContact CD1-CB 4.16Å; F87-L115 HydrophobicContact CD1-CD1 3.45Å; F87-L115 VanDerWaalsContact CD1-CD1 3.45Å; F87-L115 HydrophobicContact CD1-CG 4.4Å; F87-L115 HydrophobicContact CE1-CB 3.95Å; F87-L115 HydrophobicContact CE1-CD1 3.64Å; F87-L115 HydrophobicContact CE1-CG 4.3Å; L115-T117 PolarHBondContact O-N 2.96Å; L115-T117 VanDerWaalsContact O-N 3.1Å; L115-E120 HydrophobicContact CD1-CG 3.95Å; L115-E120 HydrophobicContact CD2-CB 3.67Å; L115-E120 HydrophobicContact CD2-CG 3.54Å; L115-E120 WeakPolarHBondContact CD2-OE2 3.28Å; L115-E120 HydrophobicContact CG-CB 4.4Å; L115-E120 HydrophobicContact CG-CG 3.79Å
116D55.6Low62.7Low102 Ų10293.4 Ų93.455%0.54547%0.469SS..  trans-71.8101.2167.6-169-9000110.3R118D116-R118 PolarHBondContact O-N 3.18Å
117T54.9Low61.8Low86 Ų8693 Ų9353%0.52846%0.464SS..Hα-helixtrans-63.2-13.1-168.556.50000115.5L115 K121L115-T117 PolarHBondContact O-N 2.96Å; L115-T117 VanDerWaalsContact O-N 3.1Å; T117-K121 WeakPolarHBondContact O-CB 3.34Å; T117-K121 WeakPolarHBondContact O-CD 3.47Å; T117-K121 WeakPolarHBondContact O-CG 3.29Å
118R52.2Low60.9Low208 Ų20894.4 Ų94.479%0.78547%0.471SS*.Hα-helixtrans-89.2-37-170.4-133.8179.7-166.2-166.14.9114.3D116D116-R118 PolarHBondContact O-N 3.18Å
119Q52.1Low60.4Low143 Ų14393.2 Ų93.267%0.66847%0.467SS*.Hα-helixtrans-84.2-36.5-176.7-166.4157.3-22.100111.6K122 K123Q119-K122 PolarHBondContact O-N 3.01Å; Q119-K123 PolarHBondContact O-N 2.83Å
120E51.8Low60.1Low97 Ų9791.5 Ų91.545%0.45346%0.459SS..Hα-helixtrans-71.1-35.7177.5-71.6-96.4131.300112.8L115 K122 K123 L124L115-E120 HydrophobicContact CD1-CG 3.95Å; L115-E120 HydrophobicContact CD2-CB 3.67Å; L115-E120 HydrophobicContact CD2-CG 3.54Å; L115-E120 WeakPolarHBondContact CD2-OE2 3.28Å; L115-E120 HydrophobicContact CG-CB 4.4Å; L115-E120 HydrophobicContact CG-CG 3.79Å; E120-K122 VanDerWaalsContact C-N 3.25Å; E120-K122 PolarHBondContact O-N 3.46Å; E120-K123 PolarHBondContact O-N 3.28Å; E120-L124 WeakPolarHBondContact O-CB 3.47Å; E120-L124 PolarHBondContact O-N 2.96Å
121K53.8Low60.2Low137 Ų13789.7 Ų89.760%0.59644%0.442SS*.Hα-helixtrans-57.8-37.4173.5-83.3177.4-172.9177.40112.3T117 V125T117-K121 WeakPolarHBondContact O-CB 3.34Å; T117-K121 WeakPolarHBondContact O-CD 3.47Å; T117-K121 WeakPolarHBondContact O-CG 3.29Å; K121-V125 WeakPolarHBondContact O-CB 3.37Å; K121-V125 WeakPolarHBondContact O-CG2 3.13Å; K121-V125 PolarHBondContact O-N 3.22Å; K121-V125 VanDerWaalsContact O-N 3.08Å
122K54.1Low60.1Low165 Ų16589.6 Ų89.672%0.71744%0.439SS*.Hα-helixtrans-70.7-42.5177.8-68.8-177.4179.1-179.80111.8Q119 E120 F126Q119-K122 PolarHBondContact O-N 3.01Å; E120-K122 VanDerWaalsContact C-N 3.25Å; E120-K122 PolarHBondContact O-N 3.46Å; K122-F126 WeakPolarHBondContact O-CB 3.32Å; K122-F126 PolarHBondContact O-N 3.2Å
123K53.3Low60.2Low126 Ų12691.3 Ų91.355%0.54845%0.446SS..Hα-helixtrans-65.1-42.3176-76-170171.5-169.60112.4Q119 E120 F126 Y127Q119-K123 PolarHBondContact O-N 2.83Å; E120-K123 PolarHBondContact O-N 3.28Å; K123-F126 WeakPolarHBondContact O-CB 3.42Å; K123-F126 PolarHBondContact O-N 3.2Å; K123-Y127 PolarHBondContact O-N 2.92Å
124L55.4Low60.4Low117 Ų11791.9 Ų91.961%0.61345%0.448SS*.Hα-helixtrans-65.5-44.8178.2-171.768.6000111.7E120 F126 Y127 V128E120-L124 WeakPolarHBondContact O-CB 3.47Å; E120-L124 PolarHBondContact O-N 2.96Å; L124-F126 VanDerWaalsContact C-N 3.33Å; L124-F126 PolarHBondContact O-N 3.48Å; L124-Y127 PolarHBondContact O-N 3.4Å; L124-V128 WeakPolarHBondContact O-CB 3.26Å; L124-V128 VanDerWaalsContact O-CG2 3.26Å; L124-V128 WeakPolarHBondContact O-CG2 3.28Å; L124-V128 PolarHBondContact O-N 3.39Å
125V61.4Low61.1Low92 Ų9293.5 Ų93.556%0.55846%0.456SS*.Hα-helixtrans-61.7-42.7175170.60000110.8K121 V128 V129K121-V125 WeakPolarHBondContact O-CB 3.37Å; K121-V125 WeakPolarHBondContact O-CG2 3.13Å; K121-V125 PolarHBondContact O-N 3.22Å; K121-V125 VanDerWaalsContact O-N 3.08Å; V125-V128 PolarHBondContact O-N 3.03Å; V125-V129 HydrophobicContact CG1-CG2 4.36Å; V125-V129 WeakPolarHBondContact O-CB 3.45Å; V125-V129 WeakPolarHBondContact O-CG2 3.34Å; V125-V129 PolarHBondContact O-N 2.95Å
126F61.8Low62.5Low77 Ų7794.5 Ų94.534%0.33846%0.461SS..Hα-helixtrans-58-52.7175178.4-101.8000111.4K122 K123 L124 V128 V129 V130 D353 F357K122-F126 WeakPolarHBondContact O-CB 3.32Å; K122-F126 PolarHBondContact O-N 3.2Å; K123-F126 WeakPolarHBondContact O-CB 3.42Å; K123-F126 PolarHBondContact O-N 3.2Å; L124-F126 VanDerWaalsContact C-N 3.33Å; L124-F126 PolarHBondContact O-N 3.48Å; F126-V128 PolarHBondContact O-N 3.44Å; F126-V129 PolarHBondContact O-N 3.22Å; F126-V129 VanDerWaalsContact O-N 3.16Å; F126-V130 HydrophobicContact CD1-CG2 4.1Å; F126-V130 HydrophobicContact CD2-CG2 4.38Å; F126-V130 HydrophobicContact CE1-CG2 3.84Å; F126-V130 HydrophobicContact CE2-CG2 4.14Å; F126-V130 HydrophobicContact CG-CG2 4.37Å; F126-V130 HydrophobicContact CZ-CG2 3.86Å; F126-V130 WeakPolarHBondContact O-CG2 3.46Å; F126-V130 PolarHBondContact O-N 2.98Å; F126-D353 HydrophobicContact CE1-CB 4.23Å; F126-D353 HydrophobicContact CZ-CB 4.48Å; F126-F357 HydrophobicContact CZ-CB 4.18Å
127Y60.4Low63.9Low141 Ų14189.7 Ų89.755%0.55344%0.435SS*.Hα-helixtrans-60.6-41.8-179.6-168.7-90.5000112.8K123 L124 V129 V130 Q131K123-Y127 PolarHBondContact O-N 2.92Å; L124-Y127 PolarHBondContact O-N 3.4Å; Y127-V129 PolarHBondContact O-N 3.4Å; Y127-V130 PolarHBondContact O-N 2.84Å; Y127-Q131 WeakPolarHBondContact O-CB 3.49Å; Y127-Q131 PolarHBondContact O-N 3.43Å
128V63.4Low65.3Low73 Ų7386.4 Ų86.444%0.44241%0.414SS..Hα-helixtrans-64.2-39.5176.3170.80000111.7L124 V125 F126 Q131 T132L124-V128 WeakPolarHBondContact O-CB 3.26Å; L124-V128 VanDerWaalsContact O-CG2 3.26Å; L124-V128 WeakPolarHBondContact O-CG2 3.28Å; L124-V128 PolarHBondContact O-N 3.39Å; V125-V128 PolarHBondContact O-N 3.03Å; F126-V128 PolarHBondContact O-N 3.44Å; V128-Q131 PolarHBondContact O-N 3.01Å; V128-T132 WeakPolarHBondContact O-CB 3.37Å; V128-T132 PolarHBondContact O-N 2.97Å; V128-T132 PolarHBondContact O-OG1 2.96Å
129V67.9Low67.1Low74 Ų7478.6 Ų78.645%0.44839%0.391SS..Hα-helixtrans-66.4-47.4175.8169.60000110.8V125 F126 Y127 Q131 T132 L133V125-V129 HydrophobicContact CG1-CG2 4.36Å; V125-V129 WeakPolarHBondContact O-CB 3.45Å; V125-V129 WeakPolarHBondContact O-CG2 3.34Å; V125-V129 PolarHBondContact O-N 2.95Å; F126-V129 PolarHBondContact O-N 3.22Å; F126-V129 VanDerWaalsContact O-N 3.16Å; Y127-V129 PolarHBondContact O-N 3.4Å; V129-Q131 PolarHBondContact O-N 3.09Å; V129-T132 PolarHBondContact O-N 2.79Å; V129-L133 HydrophobicContact CG1-CD1 3.86Å; V129-L133 HydrophobicContact CG1-CG 4.45Å; V129-L133 WeakPolarHBondContact O-CB 3.48Å; V129-L133 WeakPolarHBondContact O-CG 3.38Å; V129-L133 PolarHBondContact O-N 3.45Å
130V65.6Low68.9Low12 Ų1276.1 Ų76.17%0.07338%0.382CS..Hα-helixtrans-56.3-43.2174.3179.50000110.1F126 Y127 L133 Y134 F357F126-V130 HydrophobicContact CD1-CG2 4.1Å; F126-V130 HydrophobicContact CD2-CG2 4.38Å; F126-V130 HydrophobicContact CE1-CG2 3.84Å; F126-V130 HydrophobicContact CE2-CG2 4.14Å; F126-V130 HydrophobicContact CG-CG2 4.37Å; F126-V130 HydrophobicContact CZ-CG2 3.86Å; F126-V130 WeakPolarHBondContact O-CG2 3.46Å; F126-V130 PolarHBondContact O-N 2.98Å; Y127-V130 PolarHBondContact O-N 2.84Å; V130-L133 PolarHBondContact O-N 3.34Å; V130-Y134 WeakPolarHBondContact O-CD1 3.29Å; V130-Y134 PolarHBondContact O-N 2.93Å; V130-F357 HydrophobicContact CB-CD2 4.29Å; V130-F357 HydrophobicContact CG1-CD2 4.12Å; V130-F357 HydrophobicContact CG2-CD2 3.54Å; V130-F357 HydrophobicContact CG2-CE2 4.22Å
131Q66.9Low70.8Confident39 Ų3971.6 Ų71.618%0.18236%0.361CS..Hα-helixtrans-61.6-48.3-179.9174.4171-7.400113.2Y127 V128 V129 L133 Y134 T135Y127-Q131 WeakPolarHBondContact O-CB 3.49Å; Y127-Q131 PolarHBondContact O-N 3.43Å; V128-Q131 PolarHBondContact O-N 3.01Å; V129-Q131 PolarHBondContact O-N 3.09Å; Q131-L133 VanDerWaalsContact C-N 3.32Å; Q131-L133 PolarHBondContact O-N 3.26Å; Q131-Y134 HydrophobicContact CB-CD1 4.38Å; Q131-Y134 HydrophobicContact CB-CE1 3.79Å; Q131-Y134 HydrophobicContact CG-CE1 3.74Å; Q131-Y134 WeakPolarHBondContact O-CD1 3.27Å; Q131-T135 WeakPolarHBondContact O-CB 3.08Å; Q131-T135 PolarHBondContact O-N 3.25Å; Q131-T135 PolarHBondContact O-OG1 3.46Å
132T68.7Low72.6Confident71 Ų7167.1 Ų67.144%0.43634%0.343SS..Hα-helixtrans-61.7-44.4178.3-53.80000110.3V128 V129 T135 L136V128-T132 WeakPolarHBondContact O-CB 3.37Å; V128-T132 PolarHBondContact O-N 2.97Å; V128-T132 PolarHBondContact O-OG1 2.96Å; V129-T132 PolarHBondContact O-N 2.79Å; T132-T135 PolarHBondContact O-N 3.39Å; T132-L136 HydrophobicContact CG2-CD1 3.95Å; T132-L136 HydrophobicContact CG2-CG 4.42Å; T132-L136 WeakPolarHBondContact O-CB 3.26Å; T132-L136 VanDerWaalsContact O-CG 3.22Å; T132-L136 WeakPolarHBondContact O-CG 3.41Å; T132-L136 PolarHBondContact O-N 3.14Å
133L75.1Confident74.5Confident68 Ų6864.5 Ų64.536%0.35634%0.336SS..Hα-helixtrans-63.6-47.7-179.6-74.3170.2000112.6V129 V130 Q131 T135 L136 G137 F357V129-L133 HydrophobicContact CG1-CD1 3.86Å; V129-L133 HydrophobicContact CG1-CG 4.45Å; V129-L133 WeakPolarHBondContact O-CB 3.48Å; V129-L133 WeakPolarHBondContact O-CG 3.38Å; V129-L133 PolarHBondContact O-N 3.45Å; V130-L133 PolarHBondContact O-N 3.34Å; Q131-L133 VanDerWaalsContact C-N 3.32Å; Q131-L133 PolarHBondContact O-N 3.26Å; L133-T135 VanDerWaalsContact C-N 3.33Å; L133-T135 PolarHBondContact O-N 2.96Å; L133-L136 PolarHBondContact O-N 3.29Å; L133-G137 PolarHBondContact O-N 3.28Å; L133-F357 HydrophobicContact CD1-CE2 3.85Å; L133-F357 HydrophobicContact CD1-CZ 4.25Å
134Y75.9Confident76.4Confident15 Ų1559 Ų596%0.05932%0.315CS..Hα-helixtrans-66.3-37.7178.583.4-117000111.4V130 Q131 G137 H138 D184 L360V130-Y134 WeakPolarHBondContact O-CD1 3.29Å; V130-Y134 PolarHBondContact O-N 2.93Å; Q131-Y134 HydrophobicContact CB-CD1 4.38Å; Q131-Y134 HydrophobicContact CB-CE1 3.79Å; Q131-Y134 HydrophobicContact CG-CE1 3.74Å; Q131-Y134 WeakPolarHBondContact O-CD1 3.27Å; Y134-G137 PolarHBondContact O-N 2.92Å; Y134-H138 PolarHBondContact O-CD2 3.27Å; Y134-H138 PolarHBondContact O-N 3.05Å; Y134-D184 WeakPolarHBondContact CE2-OD2 3.31Å; Y134-D184 VanDerWaalsContact OH-CG 3.29Å; Y134-D184 PolarHBondContact OH-OD2 3.26Å; Y134-L360 HydrophobicContact CD1-CD2 4.03Å; Y134-L360 HydrophobicContact CE1-CD2 4.48Å
135T77.1Confident78.2Confident46 Ų4653.5 Ų53.528%0.28229%0.286SS..Hα-helixtrans-65.9-44.5-178.8-58.80000110.2Q131 T132 L133 S139 L181Q131-T135 WeakPolarHBondContact O-CB 3.08Å; Q131-T135 PolarHBondContact O-N 3.25Å; Q131-T135 PolarHBondContact O-OG1 3.46Å; T132-T135 PolarHBondContact O-N 3.39Å; L133-T135 VanDerWaalsContact C-N 3.33Å; L133-T135 PolarHBondContact O-N 2.96Å; T135-S139 WeakPolarHBondContact O-CB 3.3Å; T135-S139 PolarHBondContact O-N 2.78Å; T135-S139 PolarHBondContact O-OG 3.48Å; T135-L181 HydrophobicContact CG2-CD2 4.26Å
136L84.1Confident79.7Confident96 Ų9652.4 Ų52.450%0.50328%0.279SS..Hα-helixtrans-62-43.7173.3-72.4173.9000111.3T132 L133 S139 L140T132-L136 HydrophobicContact CG2-CD1 3.95Å; T132-L136 HydrophobicContact CG2-CG 4.42Å; T132-L136 WeakPolarHBondContact O-CB 3.26Å; T132-L136 VanDerWaalsContact O-CG 3.22Å; T132-L136 WeakPolarHBondContact O-CG 3.41Å; T132-L136 PolarHBondContact O-N 3.14Å; L133-L136 PolarHBondContact O-N 3.29Å; L136-S139 PolarHBondContact O-N 3.38Å; L136-L140 WeakPolarHBondContact O-CB 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.47Å; L136-L140 PolarHBondContact O-N 2.8Å
137G85.3Confident81.1Confident0 Ų051.8 Ų51.80%028%0.282CS..Hα-helixtrans-58.3-51177.300000112.4L133 Y134 S139 L140 S141 S364L133-G137 PolarHBondContact O-N 3.28Å; Y134-G137 PolarHBondContact O-N 2.92Å; G137-S139 PolarHBondContact O-N 3.46Å; G137-L140 PolarHBondContact O-N 2.99Å; G137-S141 VanDerWaalsContact O-CB 3.26Å; G137-S141 WeakPolarHBondContact O-CB 3.33Å; G137-S141 PolarHBondContact O-N 3.34Å; G137-S364 CarbonylContact C-O 3.47Å
138H84.8Confident82.6Confident17 Ų1745.1 Ų45.18%0.07926%0.256CS..Hα-helixtrans-63.7-38.6177.3-80.3-49.4000112.8Y134 S141 L142 A177Y134-H138 PolarHBondContact O-CD2 3.27Å; Y134-H138 PolarHBondContact O-N 3.05Å; H138-S141 PolarHBondContact O-N 2.75Å; H138-L142 VanDerWaalsContact O-CB 3.24Å; H138-L142 WeakPolarHBondContact O-CB 3.29Å; H138-L142 PolarHBondContact O-N 3.49Å; H138-A177 HydrophobicContact CB-CB 4.47Å
139S89.1Confident83.9Confident44 Ų4442.5 Ų42.531%0.30824%0.241SC..Hα-helixtrans-64.3-47.4177.3-58.60000111.9T135 L136 G137 L142 I143T135-S139 WeakPolarHBondContact O-CB 3.3Å; T135-S139 PolarHBondContact O-N 2.78Å; T135-S139 PolarHBondContact O-OG 3.48Å; L136-S139 PolarHBondContact O-N 3.38Å; G137-S139 PolarHBondContact O-N 3.46Å; S139-L142 PolarHBondContact O-N 3.17Å; S139-I143 WeakPolarHBondContact O-CG1 3.45Å; S139-I143 PolarHBondContact O-N 2.96Å; S139-I143 VanDerWaalsContact O-N 3.08Å
140L90.6Very high84.9Confident91 Ų9141 Ų4148%0.47624%0.237SC..Hα-helixtrans-63.3-43.9176.5-72.6170.4000111.7L136 G137 L142 I143 A144L136-L140 WeakPolarHBondContact O-CB 3.32Å; L136-L140 WeakPolarHBondContact O-CG 3.47Å; L136-L140 PolarHBondContact O-N 2.8Å; G137-L140 PolarHBondContact O-N 2.99Å; L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 PolarHBondContact O-N 2.7Å; L140-I143 PolarHBondContact O-N 3.04Å; L140-A144 WeakPolarHBondContact O-CB 3.36Å; L140-A144 PolarHBondContact O-N 3.35Å
141S91.4Very high86.1Confident3 Ų341.7 Ų41.72%0.02124%0.239CC..Hα-helixtrans-59.7-43.4175.4-177.90000111.4G137 H138 A144 L145 G367 L368G137-S141 VanDerWaalsContact O-CB 3.26Å; G137-S141 WeakPolarHBondContact O-CB 3.33Å; G137-S141 PolarHBondContact O-N 3.34Å; H138-S141 PolarHBondContact O-N 2.75Å; S141-A144 PolarHBondContact O-N 2.76Å; S141-L145 VanDerWaalsContact O-CB 3.28Å; S141-L145 WeakPolarHBondContact O-CB 3.47Å; S141-L145 WeakPolarHBondContact O-CD1 3.35Å; S141-L145 VanDerWaalsContact O-CG 3.24Å; S141-L145 WeakPolarHBondContact O-CG 3.44Å; S141-L145 PolarHBondContact O-N 3.03Å; S141-L145 WeakPolarHBondContact OG-CD1 3.25Å; S141-G367 WeakPolarHBondContact OG-CA 3.49Å; S141-L368 PolarHBondContact OG-N 2.92Å; S141-L368 VanDerWaalsContact OG-N 3.13Å
142L92.6Very high87Confident42 Ų4240.2 Ų40.222%0.2223%0.233CC..Hα-helixtrans-61.4-46.2179-174.469.2000111.5H138 S139 L140 T146 I174 V178 L181H138-L142 VanDerWaalsContact O-CB 3.24Å; H138-L142 WeakPolarHBondContact O-CB 3.29Å; H138-L142 PolarHBondContact O-N 3.49Å; S139-L142 PolarHBondContact O-N 3.17Å; L140-L142 VanDerWaalsContact C-N 3.32Å; L140-L142 PolarHBondContact O-N 2.7Å; L142-T146 VanDerWaalsContact O-CB 3.24Å; L142-T146 WeakPolarHBondContact O-CB 3.25Å; L142-T146 PolarHBondContact O-N 2.94Å; L142-T146 PolarHBondContact O-OG1 3.42Å; L142-I174 HydrophobicContact CD1-CB 4.28Å; L142-I174 HydrophobicContact CD1-CG1 4.32Å; L142-I174 HydrophobicContact CD1-CG2 3.78Å; L142-V178 HydrophobicContact CD1-CG2 3.96Å; L142-L181 HydrophobicContact CD2-CD1 4.49Å
143I94Very high87.9Confident110 Ų11039.9 Ų39.956%0.56423%0.232SC*.Hα-helixtrans-61.8-47.6177.7-65.7165000110.6S139 L140 T147S139-I143 WeakPolarHBondContact O-CG1 3.45Å; S139-I143 PolarHBondContact O-N 2.96Å; S139-I143 VanDerWaalsContact O-N 3.08Å; L140-I143 PolarHBondContact O-N 3.04Å; I143-T147 WeakPolarHBondContact O-CB 3.41Å; I143-T147 PolarHBondContact O-N 3.01Å; I143-T147 PolarHBondContact O-OG1 2.85Å
144A92.8Very high88.4Confident12 Ų1243.3 Ų43.310%0.09925%0.251CS..Hα-helixtrans-63.6-46.9-178.900000112.2L140 S141 T147 G148 L368 A371 F376L140-A144 WeakPolarHBondContact O-CB 3.36Å; L140-A144 PolarHBondContact O-N 3.35Å; S141-A144 PolarHBondContact O-N 2.76Å; A144-T147 PolarHBondContact O-N 3.39Å; A144-G148 PolarHBondContact O-N 3.48Å; A144-L368 HydrophobicContact CB-CD1 3.47Å; A144-L368 VanDerWaalsContact CB-CD1 3.47Å; A144-A371 HydrophobicContact CB-CB 4.11Å; A144-F376 HydrophobicContact CB-CE2 4.31Å
145L92.7Very high88.8Confident0 Ų044.6 Ų44.60%026%0.257CS..Hα-helixtrans-66.8-41.2179.2-73.7165.3000112.2S141 T147 G148 S149 F170 F173 I174 G367 A371S141-L145 VanDerWaalsContact O-CB 3.28Å; S141-L145 WeakPolarHBondContact O-CB 3.47Å; S141-L145 WeakPolarHBondContact O-CD1 3.35Å; S141-L145 VanDerWaalsContact O-CG 3.24Å; S141-L145 WeakPolarHBondContact O-CG 3.44Å; S141-L145 PolarHBondContact O-N 3.03Å; S141-L145 WeakPolarHBondContact OG-CD1 3.25Å; L145-T147 VanDerWaalsContact C-N 3.32Å; L145-T147 PolarHBondContact O-N 3.14Å; L145-G148 PolarHBondContact O-N 3.26Å; L145-S149 WeakPolarHBondContact O-CB 3.45Å; L145-S149 PolarHBondContact O-N 3.32Å; L145-F170 HydrophobicContact CD2-CB 4.04Å; L145-F170 HydrophobicContact CD2-CD1 3.91Å; L145-F170 HydrophobicContact CD2-CG 3.91Å; L145-F173 HydrophobicContact CD1-CB 3.48Å; L145-F173 VanDerWaalsContact CD1-CB 3.48Å; L145-F173 HydrophobicContact CD1-CG 4.42Å; L145-F173 HydrophobicContact CD2-CB 4.47Å; L145-I174 HydrophobicContact CB-CD1 4.02Å; L145-I174 HydrophobicContact CB-CG1 3.69Å; L145-I174 HydrophobicContact CD1-CG1 4.28Å; L145-G367 WeakPolarHBondContact CD2-O 3.42Å; L145-A371 HydrophobicContact CD2-CB 3.94Å; L145-A371 HydrophobicContact CG-CB 4.26Å
146T93.3Very high88.9Confident69 Ų6952.7 Ų52.742%0.42328%0.282SS..Hα-helixtrans-63.2-43.3177.1-56.30000110.3L142 S149 A150L142-T146 VanDerWaalsContact O-CB 3.24Å; L142-T146 WeakPolarHBondContact O-CB 3.25Å; L142-T146 PolarHBondContact O-N 2.94Å; L142-T146 PolarHBondContact O-OG1 3.42Å; T146-S149 PolarHBondContact O-N 3.48Å; T146-A150 WeakPolarHBondContact O-CB 3.37Å; T146-A150 PolarHBondContact O-N 3.23Å
147T92.3Very high88.6Confident65 Ų6557.1 Ų57.140%0.39929%0.292SS..Hα-helixtrans-63.1-45.9175.7-55.40000111.3I143 A144 L145 A150 I151 F376I143-T147 WeakPolarHBondContact O-CB 3.41Å; I143-T147 PolarHBondContact O-N 3.01Å; I143-T147 PolarHBondContact O-OG1 2.85Å; A144-T147 PolarHBondContact O-N 3.39Å; L145-T147 VanDerWaalsContact C-N 3.32Å; L145-T147 PolarHBondContact O-N 3.14Å; T147-A150 PolarHBondContact O-N 2.87Å; T147-I151 HydrophobicContact CG2-CD1 4.1Å; T147-I151 VanDerWaalsContact O-CG1 3.29Å; T147-I151 WeakPolarHBondContact O-CG1 3.28Å; T147-I151 PolarHBondContact O-N 2.96Å; T147-F376 HydrophobicContact CG2-CE1 4.4Å; T147-F376 HydrophobicContact CG2-CZ 4.26Å
148G90.4Very high88.3Confident0 Ų057.4 Ų57.40%029%0.293CS..Hα-helixtrans-63.6-44.1177.800000113A144 L145 A150 I151 L152 C375A144-G148 PolarHBondContact O-N 3.48Å; L145-G148 PolarHBondContact O-N 3.26Å; G148-A150 VanDerWaalsContact C-N 3.34Å; G148-A150 PolarHBondContact O-N 3.21Å; G148-I151 PolarHBondContact O-N 3.45Å; G148-L152 WeakPolarHBondContact O-CG 3.43Å; G148-L152 PolarHBondContact O-N 2.84Å; G148-C375 VanDerWaalsContact CA-SG 3.54Å
149S90.9Very high88.1Confident18 Ų1860.2 Ų60.213%0.12631%0.306CS..Hα-helixtrans-59.1-44.7173.9-175.70000111.2L145 T146 I151 L152 C153 L167L145-S149 WeakPolarHBondContact O-CB 3.45Å; L145-S149 PolarHBondContact O-N 3.32Å; T146-S149 PolarHBondContact O-N 3.48Å; S149-I151 PolarHBondContact O-N 3.02Å; S149-L152 PolarHBondContact O-N 3.24Å; S149-C153 WeakPolarHBondContact O-CB 3.44Å; S149-C153 PolarHBondContact O-N 2.91Å; S149-C153 PolarHBondContact O-SG 2.83Å; S149-L167 WeakPolarHBondContact OG-CD1 3.33Å
150A90.2Very high87.8Confident44 Ų4461 Ų6136%0.36431%0.311SS..Hα-helixtrans-62.3-43.3176.800000111.8T146 T147 G148 C153 L154T146-A150 WeakPolarHBondContact O-CB 3.37Å; T146-A150 PolarHBondContact O-N 3.23Å; T147-A150 PolarHBondContact O-N 2.87Å; G148-A150 VanDerWaalsContact C-N 3.34Å; G148-A150 PolarHBondContact O-N 3.21Å; A150-C153 PolarHBondContact O-N 2.99Å; A150-L154 WeakPolarHBondContact O-CB 3.24Å; A150-L154 WeakPolarHBondContact O-CG 3.46Å; A150-L154 PolarHBondContact O-N 3.41Å
151I89.4Confident87.4Confident25 Ų2558.6 Ų58.613%0.12830%0.301CS..Hα-helixtrans-58-52176-71.2166.2000110.3T147 G148 S149 C153 L154 F155 F376 V381T147-I151 HydrophobicContact CG2-CD1 4.1Å; T147-I151 VanDerWaalsContact O-CG1 3.29Å; T147-I151 WeakPolarHBondContact O-CG1 3.28Å; T147-I151 PolarHBondContact O-N 2.96Å; G148-I151 PolarHBondContact O-N 3.45Å; S149-I151 PolarHBondContact O-N 3.02Å; I151-C153 VanDerWaalsContact C-N 3.3Å; I151-C153 PolarHBondContact O-N 3.48Å; I151-L154 PolarHBondContact O-N 3Å; I151-F155 HydrophobicContact CG2-CD2 3.82Å; I151-F155 HydrophobicContact CG2-CE2 3.94Å; I151-F155 WeakPolarHBondContact O-CD2 3.3Å; I151-F155 PolarHBondContact O-N 3.31Å; I151-F376 HydrophobicContact CD1-CE1 4.06Å; I151-V381 HydrophobicContact CG2-CG1 3.75Å
152L86.6Confident87Confident9 Ų962.5 Ų62.55%0.04732%0.315CS..Hα-helixtrans-62.8-35.9-179.3-66179.1000112.6G148 S149 L158 H159 F170 V381G148-L152 WeakPolarHBondContact O-CG 3.43Å; G148-L152 PolarHBondContact O-N 2.84Å; S149-L152 PolarHBondContact O-N 3.24Å; L152-L158 HydrophobicContact CD2-CD1 4.24Å; L152-H159 PolarHBondContact O-CD2 2.8Å; L152-H159 PolarHBondContact O-NE2 3.05Å; L152-F170 HydrophobicContact CD1-CD2 4.19Å; L152-F170 HydrophobicContact CD1-CE2 3.63Å; L152-F170 HydrophobicContact CD1-CZ 4.4Å; L152-V381 HydrophobicContact CD2-CG2 4.25Å
153C87.1Confident86.7Confident63 Ų6361 Ų6143%0.42631%0.307SS..Hα-helixtrans-70.5-41.2176.2-720000113S149 A150 I151 H159S149-C153 WeakPolarHBondContact O-CB 3.44Å; S149-C153 PolarHBondContact O-N 2.91Å; S149-C153 PolarHBondContact O-SG 2.83Å; A150-C153 PolarHBondContact O-N 2.99Å; I151-C153 VanDerWaalsContact C-N 3.3Å; I151-C153 PolarHBondContact O-N 3.48Å; C153-H159 PolarHBondContact O-NE2 2.99Å
154L86.3Confident86.5Confident141 Ų14160.4 Ų60.474%0.73830%0.298SS*.Hα-helixtrans-73.1-34.9-174.8-71.9171.2000113.3A150 I151 R156A150-L154 WeakPolarHBondContact O-CB 3.24Å; A150-L154 WeakPolarHBondContact O-CG 3.46Å; A150-L154 PolarHBondContact O-N 3.41Å; I151-L154 PolarHBondContact O-N 3Å; L154-R156 PolarHBondContact O-N 3.25Å
155F84.5Confident86.3Confident42 Ų4259.9 Ų59.918%0.18429%0.294CS..  trans-8990.6179.7-67-71.5000110.8I151 R157 L158 L385 K388I151-F155 HydrophobicContact CG2-CD2 3.82Å; I151-F155 HydrophobicContact CG2-CE2 3.94Å; I151-F155 WeakPolarHBondContact O-CD2 3.3Å; I151-F155 PolarHBondContact O-N 3.31Å; F155-R157 PolarHBondContact O-N 3.08Å; F155-L158 HydrophobicContact CB-CB 4.44Å; F155-L158 HydrophobicContact CB-CD1 3.83Å; F155-L158 HydrophobicContact CB-CG 4Å; F155-L158 HydrophobicContact CD2-CD1 4.45Å; F155-L158 HydrophobicContact CG-CD1 4.43Å; F155-L158 WeakPolarHBondContact O-CB 3.35Å; F155-L158 PolarHBondContact O-N 3.31Å; F155-L385 HydrophobicContact CE2-CD2 4Å; F155-L385 HydrophobicContact CZ-CD2 4.05Å; F155-K388 HydrophobicContact CE1-CB 4.17Å; F155-K388 HydrophobicContact CE1-CG 4.2Å
156R79.6Confident86.1Confident216 Ų21660.8 Ų60.882%0.81530%0.298SS*.G310 helixtrans-53-26.4176.6-168.2174.7178.9167.90.4114.1L154 L158 H159L154-R156 PolarHBondContact O-N 3.25Å; R156-L158 PolarHBondContact O-N 2.99Å; R156-H159 WeakPolarHBondContact O-CB 3.44Å; R156-H159 PolarHBondContact O-N 2.72Å
157R75.8Confident85.9Confident188 Ų18858.7 Ų58.771%0.70928%0.284SS*.G310 helixtrans-65.8-18.6174.2-86.2-167.2175.8-169.6-2114.4F155F155-R157 PolarHBondContact O-N 3.08Å
158L79.3Confident85.9Confident6 Ų656.7 Ų56.73%0.03127%0.271CS..G310 helixtrans-97.17.3178.3-59.6177.7000112L152 F155 R156 C160 N163 E380 V381 E384L152-L158 HydrophobicContact CD2-CD1 4.24Å; F155-L158 HydrophobicContact CB-CB 4.44Å; F155-L158 HydrophobicContact CB-CD1 3.83Å; F155-L158 HydrophobicContact CB-CG 4Å; F155-L158 HydrophobicContact CD2-CD1 4.45Å; F155-L158 HydrophobicContact CG-CD1 4.43Å; F155-L158 WeakPolarHBondContact O-CB 3.35Å; F155-L158 PolarHBondContact O-N 3.31Å; R156-L158 PolarHBondContact O-N 2.99Å; L158-C160 PolarHBondContact O-N 3.25Å; L158-N163 VanDerWaalsContact O-CB 3.28Å; L158-N163 WeakPolarHBondContact O-CB 3.11Å; L158-N163 PolarHBondContact O-ND2 3.47Å; L158-E380 HydrophobicContact CD2-CB 4.32Å; L158-V381 HydrophobicContact CD1-CG2 4.04Å; L158-E384 HydrophobicContact CD2-CG 3.94Å; L158-E384 HydrophobicContact CG-CG 4.27Å
159H81.3Confident85.9Confident76 Ų7656.7 Ų56.735%0.35227%0.271SS..  trans-78.890178.7-69.5-174.8000110.3L152 C153 R156 Y164L152-H159 PolarHBondContact O-CD2 2.8Å; L152-H159 PolarHBondContact O-NE2 3.05Å; C153-H159 PolarHBondContact O-NE2 2.99Å; R156-H159 WeakPolarHBondContact O-CB 3.44Å; R156-H159 PolarHBondContact O-N 2.72Å; H159-Y164 HydrophobicContact CB-CE2 4.25Å
160C82.8Confident86Confident61 Ų6155.8 Ų55.841%0.41227%0.265SS..  trans-122.7157.1173.1-60.90000109.5L158 R162 N163 Y164L158-C160 PolarHBondContact O-N 3.25Å; C160-R162 VanDerWaalsContact C-N 3.29Å; C160-R162 PolarHBondContact O-N 3.47Å; C160-N163 WeakPolarHBondContact O-CA 3.24Å; C160-N163 PolarHBondContact O-N 3.33Å; C160-Y164 VanDerWaalsContact O-CD2 3.26Å; C160-Y164 WeakPolarHBondContact O-CD2 3.15Å; C160-Y164 PolarHBondContact O-N 3.31Å
161T82.3Confident86.2Confident41 Ų4156.5 Ų56.525%0.25226%0.262SS..Hα-helixtrans-49.5-47176.448.30000112.5N163 Y164 I165T161-N163 VanDerWaalsContact C-N 3.34Å; T161-N163 PolarHBondContact O-N 2.95Å; T161-Y164 WeakPolarHBondContact O-CB 3.45Å; T161-Y164 PolarHBondContact O-N 3Å; T161-I165 PolarHBondContact O-N 3.36Å; T161-I165 VanDerWaalsContact O-N 3.09Å
162R83.1Confident86.4Confident85 Ų8555.4 Ų55.432%0.32126%0.256SS..Hα-helixtrans-53.4-47.2172.8-179.6-177.467.5-180-4.9112.8C160 Y164 I165 H166 Y227 E380C160-R162 VanDerWaalsContact C-N 3.29Å; C160-R162 PolarHBondContact O-N 3.47Å; R162-Y164 VanDerWaalsContact C-N 3.32Å; R162-Y164 PolarHBondContact O-N 3.04Å; R162-I165 PolarHBondContact O-N 3.26Å; R162-H166 VanDerWaalsContact CG-NE2 3.28Å; R162-H166 WeakPolarHBondContact CG-NE2 3.37Å; R162-H166 PolarHBondContact O-CD2 2.85Å; R162-H166 PolarHBondContact O-N 3.23Å; R162-Y227 HydrophobicContact CB-CE1 4.18Å; R162-Y227 HydrophobicContact CG-CE1 4.2Å; R162-E380 IonicContact CZ-OE1 3.82Å; R162-E380 IonicContact NH1-OE1 3.95Å; R162-E380 IonicContact NH2-OE1 2.79Å; R162-E380 PolarHBondContact NH2-OE1 3.37Å; R162-E380 IonicContact NH2-OE2 2.97Å; R162-E380 PolarHBondContact NH2-OE2 2.88Å
163N86.8Confident86.6Confident9 Ų955.3 Ų55.35%0.04826%0.255CS..Hα-helixtrans-73.3-26.4-176.8-66.3-6.6000111.6L158 C160 T161 L167L158-N163 VanDerWaalsContact O-CB 3.28Å; L158-N163 WeakPolarHBondContact O-CB 3.11Å; L158-N163 PolarHBondContact O-ND2 3.47Å; C160-N163 WeakPolarHBondContact O-CA 3.24Å; C160-N163 PolarHBondContact O-N 3.33Å; T161-N163 VanDerWaalsContact C-N 3.34Å; T161-N163 PolarHBondContact O-N 2.95Å; N163-L167 VanDerWaalsContact O-CB 3.25Å; N163-L167 WeakPolarHBondContact O-CB 3.3Å; N163-L167 PolarHBondContact O-N 3.38Å
164Y88.2Confident86.9Confident98 Ų9853.8 Ų53.838%0.38424%0.243SC..Hα-helixtrans-67.1-39.5167.8-78.6-70.8000112.6H159 C160 T161 R162 L167 N168H159-Y164 HydrophobicContact CB-CE2 4.25Å; C160-Y164 VanDerWaalsContact O-CD2 3.26Å; C160-Y164 WeakPolarHBondContact O-CD2 3.15Å; C160-Y164 PolarHBondContact O-N 3.31Å; T161-Y164 WeakPolarHBondContact O-CB 3.45Å; T161-Y164 PolarHBondContact O-N 3Å; R162-Y164 VanDerWaalsContact C-N 3.32Å; R162-Y164 PolarHBondContact O-N 3.04Å; Y164-L167 PolarHBondContact O-N 2.89Å; Y164-N168 PolarHBondContact O-N 2.59Å; Y164-N168 PolarHBondContact O-ND2 2.92Å
165I88.9Confident87.2Confident1 Ų149.5 Ų49.51%0.00522%0.22CC..Hα-helixtrans-63.9-47.6174.2-61.7-63.2000110.4T161 R162 L167 N168 L169 W220 V223 Y227 F242T161-I165 PolarHBondContact O-N 3.36Å; T161-I165 VanDerWaalsContact O-N 3.09Å; R162-I165 PolarHBondContact O-N 3.26Å; I165-L167 VanDerWaalsContact C-N 3.3Å; I165-L167 PolarHBondContact O-N 2.72Å; I165-N168 PolarHBondContact O-N 3.4Å; I165-L169 PolarHBondContact O-N 3.49Å; I165-W220 HydrophobicContact CD1-CZ3 4.2Å; I165-W220 HydrophobicContact CG2-CZ3 4.41Å; I165-V223 HydrophobicContact CD1-CG1 4.32Å; I165-V223 HydrophobicContact CG2-CG1 4.41Å; I165-Y227 HydrophobicContact CG1-CD2 4.49Å; I165-F242 HydrophobicContact CD1-CD2 4.06Å; I165-F242 HydrophobicContact CD1-CE2 3.78Å; I165-F242 HydrophobicContact CG1-CE2 4.41Å
166H88.2Confident87.4Confident20 Ų2048.5 Ų48.59%0.09322%0.215CC..Hα-helixtrans-61.8-36.3175.5-63.2-52.4000112.6R162 L169 F170 E224 Y374R162-H166 VanDerWaalsContact CG-NE2 3.28Å; R162-H166 WeakPolarHBondContact CG-NE2 3.37Å; R162-H166 PolarHBondContact O-CD2 2.85Å; R162-H166 PolarHBondContact O-N 3.23Å; H166-L169 WeakPolarHBondContact O-CB 3.06Å; H166-L169 PolarHBondContact O-N 3.15Å; H166-F170 HydrophobicContact CB-CE1 4.48Å; H166-F170 WeakPolarHBondContact O-CD1 3.45Å; H166-F170 VanDerWaalsContact O-CG 3.24Å; H166-F170 WeakPolarHBondContact O-CG 3.24Å; H166-F170 PolarHBondContact O-N 3.03Å; H166-E224 IonicContact CE1-OE1 3.09Å; H166-E224 PolarHBondContact CE1-OE1 3.37Å; H166-E224 IonicContact ND1-OE1 3.94Å; H166-E224 PolarHBondContact ND1-OE1 3.37Å; H166-Y374 AromaticContact CE1-CD1 3.63Å; H166-Y374 AromaticContact CE1-CE1 3.51Å; H166-Y374 AromaticContact CE1-CZ 3.97Å; H166-Y374 AromaticContact ND1-CD1 3.98Å
167L90.4Very high87.9Confident24 Ų2438.3 Ų38.313%0.12618%0.177CC..Hα-helixtrans-62.8-47.2175.6-178.667.5000111.5S149 N163 Y164 I165 L169 F170 I171S149-L167 WeakPolarHBondContact OG-CD1 3.33Å; N163-L167 VanDerWaalsContact O-CB 3.25Å; N163-L167 WeakPolarHBondContact O-CB 3.3Å; N163-L167 PolarHBondContact O-N 3.38Å; Y164-L167 PolarHBondContact O-N 2.89Å; I165-L167 VanDerWaalsContact C-N 3.3Å; I165-L167 PolarHBondContact O-N 2.72Å; L167-L169 VanDerWaalsContact C-N 3.31Å; L167-L169 PolarHBondContact O-N 3.48Å; L167-F170 PolarHBondContact O-N 2.85Å; L167-I171 HydrophobicContact CD1-CD1 4.48Å; L167-I171 HydrophobicContact CG-CD1 4.06Å; L167-I171 VanDerWaalsContact O-CG1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.41Å; L167-I171 PolarHBondContact O-N 2.66Å
168N92.3Very high88.6Confident23 Ų2332.3 Ų32.312%0.12316%0.161CC..Hα-helixtrans-64.2-37.8176.6-79.3-81.9000111.9Y164 I165 I171 S172 W220 W250Y164-N168 PolarHBondContact O-N 2.59Å; Y164-N168 PolarHBondContact O-ND2 2.92Å; I165-N168 PolarHBondContact O-N 3.4Å; N168-I171 PolarHBondContact O-N 3.03Å; N168-S172 PolarHBondContact O-N 3.03Å; N168-W220 HydrophobicContact CB-CD2 3.94Å; N168-W220 HydrophobicContact CB-CE3 3.67Å; N168-W220 HydrophobicContact CB-CH2 3.23Å; N168-W220 HydrophobicContact CB-CZ2 3.52Å; N168-W220 HydrophobicContact CB-CZ3 3.31Å; N168-W250 PolarHBondContact OD1-NE1 2.88Å
169L90.6Very high89Confident0 Ų032.3 Ų32.30%016%0.162CC..Hα-helixtrans-59.5-46.7171.5-177.972.6000111.4I165 H166 L167 I171 S172 F173 W220 L221 E224 V370I165-L169 PolarHBondContact O-N 3.49Å; H166-L169 WeakPolarHBondContact O-CB 3.06Å; H166-L169 PolarHBondContact O-N 3.15Å; L167-L169 VanDerWaalsContact C-N 3.31Å; L167-L169 PolarHBondContact O-N 3.48Å; L169-I171 VanDerWaalsContact C-N 3.33Å; L169-I171 PolarHBondContact O-N 3.14Å; L169-S172 WeakPolarHBondContact O-CB 3.34Å; L169-S172 PolarHBondContact O-N 2.79Å; L169-S172 VanDerWaalsContact O-N 3.15Å; L169-S172 PolarHBondContact O-OG 3.07Å; L169-F173 HydrophobicContact CD1-CD2 4.29Å; L169-F173 HydrophobicContact CD1-CE2 3.88Å; L169-F173 HydrophobicContact CD2-CE2 4.44Å; L169-F173 HydrophobicContact CG-CD2 4.09Å; L169-F173 HydrophobicContact CG-CE2 3.96Å; L169-F173 WeakPolarHBondContact O-CD2 3.27Å; L169-F173 PolarHBondContact O-N 3.3Å; L169-F173 VanDerWaalsContact O-N 3.07Å; L169-W220 HydrophobicContact CD1-CB 3.88Å; L169-L221 HydrophobicContact CD1-CD2 3.86Å; L169-L221 HydrophobicContact CD1-CG 4.02Å; L169-E224 VanDerWaalsContact CD2-CD 3.42Å; L169-E224 WeakPolarHBondContact CD2-OE1 3.26Å; L169-E224 WeakPolarHBondContact CD2-OE2 3.42Å; L169-V370 HydrophobicContact CD2-CG1 4.18Å
170F92.9Very high88.9Confident0 Ų029.6 Ų29.60%015%0.151CC..Hα-helixtrans-61.6-43177.5-66.90.1000111.4L145 L152 H166 L167 S172 F173 I174 V370 Y374 C375L145-F170 HydrophobicContact CD2-CB 4.04Å; L145-F170 HydrophobicContact CD2-CD1 3.91Å; L145-F170 HydrophobicContact CD2-CG 3.91Å; L152-F170 HydrophobicContact CD1-CD2 4.19Å; L152-F170 HydrophobicContact CD1-CE2 3.63Å; L152-F170 HydrophobicContact CD1-CZ 4.4Å; H166-F170 HydrophobicContact CB-CE1 4.48Å; H166-F170 WeakPolarHBondContact O-CD1 3.45Å; H166-F170 VanDerWaalsContact O-CG 3.24Å; H166-F170 WeakPolarHBondContact O-CG 3.24Å; H166-F170 PolarHBondContact O-N 3.03Å; L167-F170 PolarHBondContact O-N 2.85Å; F170-S172 VanDerWaalsContact C-N 3.3Å; F170-S172 PolarHBondContact O-N 3.46Å; F170-F173 PolarHBondContact O-N 3.09Å; F170-I174 VanDerWaalsContact O-CG1 3.31Å; F170-I174 WeakPolarHBondContact O-CG1 3.02Å; F170-I174 PolarHBondContact O-N 3.22Å; F170-V370 HydrophobicContact CD1-CG1 3.78Å; F170-V370 HydrophobicContact CE1-CG1 3.47Å; F170-V370 VanDerWaalsContact CE1-CG1 3.47Å; F170-Y374 HydrophobicContact CE1-CD2 4.4Å; F170-C375 HydrophobicContact CE2-CB 4.17Å; F170-C375 HydrophobicContact CZ-CB 4.32Å
171I93.6Very high89Confident59 Ų5928.9 Ų28.930%0.30314%0.142SC..Hα-helixtrans-59.6-42.2175-68.5166.3000110.4L167 N168 L169 F173 I174 L175 W250L167-I171 HydrophobicContact CD1-CD1 4.48Å; L167-I171 HydrophobicContact CG-CD1 4.06Å; L167-I171 VanDerWaalsContact O-CG1 3.29Å; L167-I171 WeakPolarHBondContact O-CG1 3.41Å; L167-I171 PolarHBondContact O-N 2.66Å; N168-I171 PolarHBondContact O-N 3.03Å; L169-I171 VanDerWaalsContact C-N 3.33Å; L169-I171 PolarHBondContact O-N 3.14Å; I171-F173 VanDerWaalsContact C-N 3.33Å; I171-F173 PolarHBondContact O-N 2.8Å; I171-I174 PolarHBondContact O-N 3.06Å; I171-L175 HydrophobicContact CG2-CD1 3.76Å; I171-L175 HydrophobicContact CG2-CG 4.26Å; I171-L175 WeakPolarHBondContact O-CB 3.06Å; I171-L175 VanDerWaalsContact O-CG 3.29Å; I171-L175 WeakPolarHBondContact O-CG 3.19Å; I171-L175 PolarHBondContact O-N 2.87Å; I171-W250 HydrophobicContact CG2-CH2 4.3Å; I171-W250 HydrophobicContact CG2-CZ2 4.3Å
172S93.4Very high89Confident1 Ų129.9 Ų29.91%0.00715%0.149CC..Hα-helixtrans-60.9-40.2176.5840000112.5N168 L169 F170 R176 N217N168-S172 PolarHBondContact O-N 3.03Å; L169-S172 WeakPolarHBondContact O-CB 3.34Å; L169-S172 PolarHBondContact O-N 2.79Å; L169-S172 VanDerWaalsContact O-N 3.15Å; L169-S172 PolarHBondContact O-OG 3.07Å; F170-S172 VanDerWaalsContact C-N 3.3Å; F170-S172 PolarHBondContact O-N 3.46Å; S172-R176 WeakPolarHBondContact O-CB 3.44Å; S172-R176 PolarHBondContact O-N 3.23Å; S172-N217 PolarHBondContact OG-ND2 3.3Å; S172-N217 VanDerWaalsContact OG-ND2 3.14Å
173F91.4Very high88.6Confident8 Ų828 Ų284%0.03514%0.143CC..Hα-helixtrans-69.9-39.1175.9-85.1-73.3000112.6L145 L169 F170 I171 R176 A177 N217 L221 Q366 V370L145-F173 HydrophobicContact CD1-CB 3.48Å; L145-F173 VanDerWaalsContact CD1-CB 3.48Å; L145-F173 HydrophobicContact CD1-CG 4.42Å; L145-F173 HydrophobicContact CD2-CB 4.47Å; L169-F173 HydrophobicContact CD1-CD2 4.29Å; L169-F173 HydrophobicContact CD1-CE2 3.88Å; L169-F173 HydrophobicContact CD2-CE2 4.44Å; L169-F173 HydrophobicContact CG-CD2 4.09Å; L169-F173 HydrophobicContact CG-CE2 3.96Å; L169-F173 WeakPolarHBondContact O-CD2 3.27Å; L169-F173 PolarHBondContact O-N 3.3Å; L169-F173 VanDerWaalsContact O-N 3.07Å; F170-F173 PolarHBondContact O-N 3.09Å; I171-F173 VanDerWaalsContact C-N 3.33Å; I171-F173 PolarHBondContact O-N 2.8Å; F173-R176 PolarHBondContact O-N 3.01Å; F173-A177 WeakPolarHBondContact O-CB 3.29Å; F173-A177 PolarHBondContact O-N 3.31Å; F173-N217 VanDerWaalsContact CD1-ND2 3.33Å; F173-N217 WeakPolarHBondContact CD1-ND2 3.42Å; F173-N217 WeakPolarHBondContact CD2-ND2 3.19Å; F173-N217 WeakPolarHBondContact CE1-ND2 3.32Å; F173-N217 WeakPolarHBondContact CE2-ND2 3.5Å; F173-N217 VanDerWaalsContact CG-ND2 3.35Å; F173-N217 WeakPolarHBondContact CG-ND2 3.41Å; F173-N217 WeakPolarHBondContact CZ-ND2 3.29Å; F173-L221 HydrophobicContact CE2-CD2 4.04Å; F173-L221 HydrophobicContact CE2-CG 4.46Å; F173-L221 HydrophobicContact CZ-CD1 4.15Å; F173-L221 HydrophobicContact CZ-CD2 4Å; F173-L221 HydrophobicContact CZ-CG 4.31Å; F173-Q366 HydrophobicContact CE1-CB 4.31Å; F173-Q366 HydrophobicContact CE1-CG 3.95Å; F173-Q366 HydrophobicContact CZ-CG 4.05Å; F173-V370 HydrophobicContact CD2-CG2 4.3Å; F173-V370 HydrophobicContact CE2-CG1 4.48Å; F173-V370 HydrophobicContact CE2-CG2 3.7Å; F173-V370 HydrophobicContact CZ-CG2 3.92Å
174I92.9Very high87.8Confident31 Ų3128.7 Ų28.716%0.15915%0.146CC..Hα-helixtrans-59.3-50.7173.9-71.9167.2000109.5L142 L145 F170 I171 R176 A177 V178L142-I174 HydrophobicContact CD1-CB 4.28Å; L142-I174 HydrophobicContact CD1-CG1 4.32Å; L142-I174 HydrophobicContact CD1-CG2 3.78Å; L145-I174 HydrophobicContact CB-CD1 4.02Å; L145-I174 HydrophobicContact CB-CG1 3.69Å; L145-I174 HydrophobicContact CD1-CG1 4.28Å; F170-I174 VanDerWaalsContact O-CG1 3.31Å; F170-I174 WeakPolarHBondContact O-CG1 3.02Å; F170-I174 PolarHBondContact O-N 3.22Å; I171-I174 PolarHBondContact O-N 3.06Å; I174-R176 PolarHBondContact O-N 3.07Å; I174-A177 PolarHBondContact O-N 3.26Å; I174-V178 HydrophobicContact CG2-CG2 4.44Å; I174-V178 VanDerWaalsContact O-CG2 3.31Å; I174-V178 WeakPolarHBondContact O-CG2 3.45Å; I174-V178 PolarHBondContact O-N 3.36Å
175L92.6Very high87Confident50 Ų5026.8 Ų26.826%0.26215%0.151SC..Hα-helixtrans-62.6-41.8179.9-70.1168.7000111.8I171 V178 A179 F213 W250I171-L175 HydrophobicContact CG2-CD1 3.76Å; I171-L175 HydrophobicContact CG2-CG 4.26Å; I171-L175 WeakPolarHBondContact O-CB 3.06Å; I171-L175 VanDerWaalsContact O-CG 3.29Å; I171-L175 WeakPolarHBondContact O-CG 3.19Å; I171-L175 PolarHBondContact O-N 2.87Å; L175-V178 PolarHBondContact O-N 3.31Å; L175-A179 VanDerWaalsContact O-CB 3.28Å; L175-A179 WeakPolarHBondContact O-CB 3.32Å; L175-A179 PolarHBondContact O-N 3.45Å; L175-F213 HydrophobicContact CB-CB 4.37Å; L175-F213 HydrophobicContact CB-CD1 3.59Å; L175-F213 HydrophobicContact CB-CE1 3.91Å; L175-F213 HydrophobicContact CB-CG 3.93Å; L175-F213 HydrophobicContact CB-CZ 4.47Å; L175-F213 HydrophobicContact CD1-CD1 4.02Å; L175-F213 HydrophobicContact CD1-CE1 3.79Å; L175-F213 HydrophobicContact CD2-CE1 3.96Å; L175-F213 HydrophobicContact CD2-CZ 4.05Å; L175-F213 HydrophobicContact CG-CD1 4.25Å; L175-F213 HydrophobicContact CG-CE1 4.1Å; L175-W250 HydrophobicContact CD1-CH2 3.72Å; L175-W250 HydrophobicContact CD1-CZ3 4.1Å
176R90.3Very high86Confident22 Ų2229.1 Ų29.18%0.08316%0.163CC..Hα-helixtrans-59.8-47.2173.8179.6179.4173.4-169-2.6111.8S172 F173 I174 A179 V180 I214 N217 Y342S172-R176 WeakPolarHBondContact O-CB 3.44Å; S172-R176 PolarHBondContact O-N 3.23Å; F173-R176 PolarHBondContact O-N 3.01Å; I174-R176 PolarHBondContact O-N 3.07Å; R176-A179 PolarHBondContact O-N 3.05Å; R176-V180 VanDerWaalsContact O-CG2 3.31Å; R176-V180 WeakPolarHBondContact O-CG2 3.35Å; R176-V180 PolarHBondContact O-N 2.7Å; R176-I214 HydrophobicContact CG-CG1 4.27Å; R176-N217 HydrophobicContact CB-CB 4.32Å; R176-N217 VanDerWaalsContact CD-OD1 3.31Å; R176-N217 WeakPolarHBondContact CD-OD1 3.15Å; R176-N217 PolarHBondContact NH1-OD1 2.86Å; R176-Y342 PolarHBondContact NH2-OH 3.11Å
177A89.1Confident84.6Confident2 Ų230.1 Ų30.12%0.01717%0.17CC..Hα-helixtrans-63.7-44.4179.100000111.7H138 F173 I174 A179 V180 L181H138-A177 HydrophobicContact CB-CB 4.47Å; F173-A177 WeakPolarHBondContact O-CB 3.29Å; F173-A177 PolarHBondContact O-N 3.31Å; I174-A177 PolarHBondContact O-N 3.26Å; A177-A179 VanDerWaalsContact C-N 3.31Å; A177-A179 PolarHBondContact O-N 3.36Å; A177-V180 PolarHBondContact O-N 3.28Å; A177-L181 WeakPolarHBondContact O-CG 3.42Å; A177-L181 PolarHBondContact O-N 3.31Å
178V90.1Very high83Confident61 Ų6132.6 Ų32.637%0.3718%0.18SC..Hα-helixtrans-60.3-42.4174.7171.80000110.6L142 I174 L175 V180 L181 V182L142-V178 HydrophobicContact CD1-CG2 3.96Å; I174-V178 HydrophobicContact CG2-CG2 4.44Å; I174-V178 VanDerWaalsContact O-CG2 3.31Å; I174-V178 WeakPolarHBondContact O-CG2 3.45Å; I174-V178 PolarHBondContact O-N 3.36Å; L175-V178 PolarHBondContact O-N 3.31Å; V178-V180 PolarHBondContact O-N 3.07Å; V178-L181 PolarHBondContact O-N 3.29Å; V178-V182 HydrophobicContact CG1-CG2 4.11Å; V178-V182 WeakPolarHBondContact O-CB 3.42Å; V178-V182 WeakPolarHBondContact O-CG2 2.98Å; V178-V182 PolarHBondContact O-N 2.95Å
179A87.3Confident81Confident6 Ų637.1 Ų37.15%0.0520%0.204CC..Hα-helixtrans-64.1-40.5179.200000113.1L175 R176 A177 K183 F210 F213L175-A179 VanDerWaalsContact O-CB 3.28Å; L175-A179 WeakPolarHBondContact O-CB 3.32Å; L175-A179 PolarHBondContact O-N 3.45Å; R176-A179 PolarHBondContact O-N 3.05Å; A177-A179 VanDerWaalsContact C-N 3.31Å; A177-A179 PolarHBondContact O-N 3.36Å; A179-K183 WeakPolarHBondContact O-CB 3.33Å; A179-K183 PolarHBondContact O-N 3.38Å; A179-F210 HydrophobicContact CB-CD2 4.4Å; A179-F213 HydrophobicContact CB-CB 4.12Å; A179-F213 HydrophobicContact CB-CD2 3.61Å; A179-F213 HydrophobicContact CB-CG 4.32Å
180V80.8Confident79Confident19 Ų1940.2 Ų40.212%0.11522%0.216CC..Hα-helixtrans-61.7-50.6173.7173.70000109.9R176 A177 V178 V182 K183 D184 F210R176-V180 VanDerWaalsContact O-CG2 3.31Å; R176-V180 WeakPolarHBondContact O-CG2 3.35Å; R176-V180 PolarHBondContact O-N 2.7Å; A177-V180 PolarHBondContact O-N 3.28Å; V178-V180 PolarHBondContact O-N 3.07Å; V180-V182 VanDerWaalsContact C-N 3.33Å; V180-V182 PolarHBondContact O-N 3.47Å; V180-K183 WeakPolarHBondContact O-CB 3.29Å; V180-K183 PolarHBondContact O-N 3.29Å; V180-D184 PolarHBondContact O-N 3.18Å; V180-F210 HydrophobicContact CG2-CD2 4.48Å; V180-F210 HydrophobicContact CG2-CE2 3.87Å
181L83.4Confident76.7Confident46 Ų4643.3 Ų43.324%0.24124%0.238CC..Hα-helixtrans-62.2-38.4179.8-68.5174.8000112.8T135 L142 A177 V178 D184 A185T135-L181 HydrophobicContact CG2-CD2 4.26Å; L142-L181 HydrophobicContact CD2-CD1 4.49Å; A177-L181 WeakPolarHBondContact O-CG 3.42Å; A177-L181 PolarHBondContact O-N 3.31Å; V178-L181 PolarHBondContact O-N 3.29Å; L181-D184 PolarHBondContact O-N 3.09Å; L181-A185 VanDerWaalsContact O-CB 3.27Å; L181-A185 WeakPolarHBondContact O-CB 3.29Å; L181-A185 PolarHBondContact O-N 3.02Å
182V82.8Confident74Confident63 Ų6344.1 Ų44.138%0.38225%0.248SC..Hα-helixtrans-68.1-42.8175.9170.20000110.8V178 V180 D184 A185 I186V178-V182 HydrophobicContact CG1-CG2 4.11Å; V178-V182 WeakPolarHBondContact O-CB 3.42Å; V178-V182 WeakPolarHBondContact O-CG2 2.98Å; V178-V182 PolarHBondContact O-N 2.95Å; V180-V182 VanDerWaalsContact C-N 3.33Å; V180-V182 PolarHBondContact O-N 3.47Å; V182-D184 VanDerWaalsContact C-N 3.32Å; V182-D184 PolarHBondContact O-N 2.95Å; V182-A185 PolarHBondContact O-N 3.45Å; V182-I186 HydrophobicContact CG1-CD1 3.75Å; V182-I186 HydrophobicContact CG1-CG1 4.49Å; V182-I186 WeakPolarHBondContact O-CB 3.35Å; V182-I186 VanDerWaalsContact O-CG1 3.29Å; V182-I186 WeakPolarHBondContact O-CG1 3.35Å; V182-I186 PolarHBondContact O-N 2.96Å
183K75.6Confident71.6Confident46 Ų4649.3 Ų49.320%0.228%0.282CS..Hα-helixtrans-57.5-48.9174.1-171-164.9103.381.70110.2A179 V180 I186 V187 F210 E274A179-K183 WeakPolarHBondContact O-CB 3.33Å; A179-K183 PolarHBondContact O-N 3.38Å; V180-K183 WeakPolarHBondContact O-CB 3.29Å; V180-K183 PolarHBondContact O-N 3.29Å; K183-I186 PolarHBondContact O-N 3.19Å; K183-V187 HydrophobicContact CG-CG2 4.41Å; K183-V187 WeakPolarHBondContact O-CB 3.45Å; K183-V187 VanDerWaalsContact O-CG2 3.22Å; K183-V187 WeakPolarHBondContact O-CG2 3.37Å; K183-V187 PolarHBondContact O-N 3.25Å; K183-F210 HydrophobicContact CB-CD2 4.26Å; K183-F210 HydrophobicContact CD-CD1 4.29Å; K183-F210 HydrophobicContact CD-CD2 3.92Å; K183-F210 HydrophobicContact CD-CE1 4.16Å; K183-F210 HydrophobicContact CD-CE2 3.77Å; K183-F210 HydrophobicContact CD-CG 4.16Å; K183-F210 HydrophobicContact CD-CZ 3.88Å; K183-E274 IonicContact NZ-OE1 3.74Å
184D70.2Confident69.7Low23 Ų2353 Ų5312%0.12331%0.308CS..Hα-helixtrans-64.2-46.2179.7-67.5-26.1000110.8Y134 V180 L181 V182 I186 V187 F188Y134-D184 WeakPolarHBondContact CE2-OD2 3.31Å; Y134-D184 VanDerWaalsContact OH-CG 3.29Å; Y134-D184 PolarHBondContact OH-OD2 3.26Å; V180-D184 PolarHBondContact O-N 3.18Å; L181-D184 PolarHBondContact O-N 3.09Å; V182-D184 VanDerWaalsContact C-N 3.32Å; V182-D184 PolarHBondContact O-N 2.95Å; D184-I186 VanDerWaalsContact C-N 3.27Å; D184-I186 PolarHBondContact O-N 3.44Å; D184-V187 PolarHBondContact O-N 3.11Å; D184-F188 HydrophobicContact CB-CD2 4Å; D184-F188 HydrophobicContact CB-CE2 4.01Å; D184-F188 WeakPolarHBondContact O-CB 3.45Å; D184-F188 WeakPolarHBondContact O-CD2 3.17Å; D184-F188 PolarHBondContact O-N 3.44Å
185A71.1Confident67.3Low58 Ų5856.4 Ų56.448%0.47933%0.334SS..Hα-helixtrans-57.1-40176.100000112.2L181 V182 N189L181-A185 VanDerWaalsContact O-CB 3.27Å; L181-A185 WeakPolarHBondContact O-CB 3.29Å; L181-A185 PolarHBondContact O-N 3.02Å; V182-A185 PolarHBondContact O-N 3.45Å; A185-N189 WeakPolarHBondContact O-CB 3.17Å; A185-N189 PolarHBondContact O-N 2.91Å
186I66.9Low65Low50 Ų5061 Ų6126%0.25636%0.359SS..Hα-helixtrans-70.7-42.7177.4-68.7166.2000111.3V182 K183 D184 R190 S206V182-I186 HydrophobicContact CG1-CD1 3.75Å; V182-I186 HydrophobicContact CG1-CG1 4.49Å; V182-I186 WeakPolarHBondContact O-CB 3.35Å; V182-I186 VanDerWaalsContact O-CG1 3.29Å; V182-I186 WeakPolarHBondContact O-CG1 3.35Å; V182-I186 PolarHBondContact O-N 2.96Å; K183-I186 PolarHBondContact O-N 3.19Å; D184-I186 VanDerWaalsContact C-N 3.27Å; D184-I186 PolarHBondContact O-N 3.44Å; I186-R190 PolarHBondContact O-N 2.76Å; I186-S206 VanDerWaalsContact CD1-CB 3.5Å; I186-S206 VanDerWaalsContact CD1-OG 3.31Å; I186-S206 WeakPolarHBondContact CD1-OG 3.46Å
187V60.3Low62.9Low40 Ų4067.9 Ų67.924%0.24239%0.393CS..Hα-helixtrans-65.3-43.8178.6170.80000111T20 K183 D184 R190T20-V187 HydrophobicContact CG2-CG1 4.42Å; K183-V187 HydrophobicContact CG-CG2 4.41Å; K183-V187 WeakPolarHBondContact O-CB 3.45Å; K183-V187 VanDerWaalsContact O-CG2 3.22Å; K183-V187 WeakPolarHBondContact O-CG2 3.37Å; K183-V187 PolarHBondContact O-N 3.25Å; D184-V187 PolarHBondContact O-N 3.11Å; V187-R190 VanDerWaalsContact O-CB 3.24Å; V187-R190 WeakPolarHBondContact O-CB 3.31Å; V187-R190 PolarHBondContact O-N 3.07Å
188F55.5Low61Low77 Ų7770.8 Ų70.834%0.33841%0.411SS..Hα-helixtrans-75.3-35.7177.8-72.2-67.4000112.6D184 R190 S191D184-F188 HydrophobicContact CB-CD2 4Å; D184-F188 HydrophobicContact CB-CE2 4.01Å; D184-F188 WeakPolarHBondContact O-CB 3.45Å; D184-F188 WeakPolarHBondContact O-CD2 3.17Å; D184-F188 PolarHBondContact O-N 3.44Å; F188-R190 PolarHBondContact O-N 3.42Å; F188-S191 WeakPolarHBondContact O-CB 3.47Å; F188-S191 PolarHBondContact O-N 2.9Å; F188-S191 PolarHBondContact O-OG 2.94Å
189N50.1Low59.5Low117 Ų11771.7 Ų71.763%0.62642%0.42SS*.Hα-helixtrans-66.1-22.7175.5-164.430.1000112A185 S191 S192A185-N189 WeakPolarHBondContact O-CB 3.17Å; A185-N189 PolarHBondContact O-N 2.91Å; N189-S191 PolarHBondContact O-N 3.31Å; N189-S191 VanDerWaalsContact O-N 3.13Å; N189-S192 PolarHBondContact O-N 2.96Å
190R49.5Very low58.6Low65 Ų6575.2 Ų75.225%0.24544%0.438CS..THydrogen-bonded Turntrans-64.7-8.1168.8-146.3175.3-171.31426.8113.9I186 V187 F188I186-R190 PolarHBondContact O-N 2.76Å; V187-R190 VanDerWaalsContact O-CB 3.24Å; V187-R190 WeakPolarHBondContact O-CB 3.31Å; V187-R190 PolarHBondContact O-N 3.07Å; F188-R190 PolarHBondContact O-N 3.42Å
191S43.7Very low58.2Low66 Ų6679.6 Ų79.646%0.46246%0.464SS..THydrogen-bonded Turntrans-89.81179.4730000114.8F188 N189F188-S191 WeakPolarHBondContact O-CB 3.47Å; F188-S191 PolarHBondContact O-N 2.9Å; F188-S191 PolarHBondContact O-OG 2.94Å; N189-S191 PolarHBondContact O-N 3.31Å; N189-S191 VanDerWaalsContact O-N 3.13Å
192S37.2Very low57.7Low75 Ų7578.9 Ų78.952%0.52447%0.468SS..SBendtrans-141.1153.817671.70000113N189N189-S192 PolarHBondContact O-N 2.96Å
193P43.8Very low57.5Low110 Ų11076.4 Ų76.471%0.71445%0.454SS*.  -63.6152.5-97.332.2-20.5000114.4S195P193-S195 PolarHBondContact O-N 3.42Å
194C50.7Low57.6Low87 Ų8775.6 Ų75.659%0.58845%0.45SS*.THydrogen-bonded Turntrans-56.222.8-174-57.10000118.2C25 L28C25-C194 VanDerWaalsContact SG-SG 3.62Å; L28-C194 HydrophobicContact CD2-CB 4.16Å
195S42.3Very low58.2Low101 Ų10176.3 Ų76.371%0.70646%0.459SS*.THydrogen-bonded Turntrans-108.1-18.4-173.2-154.40000114.7P193P193-S195 PolarHBondContact O-N 3.42Å
196N44.2Very low58.7Low146 Ų14674.3 Ų74.378%0.78144%0.441SS*.  trans-122.391.2179.2-71.8-22000109.6P198N196-P198 WeakPolarHBondContact O-CD 3.39Å
197Q47.3Very low59.4Low168 Ų16872.5 Ų72.579%0.78543%0.432SS*.  trans-59.1109.7171.3-149.717311.500107.4S199Q197-S199 PolarHBondContact O-N 3.15Å
198P48.8Very low60.8Low63 Ų6372.2 Ų72.241%0.40943%0.43SS..  trans-57.1135.2167.324.6-31.2000106.7N196 L200N196-P198 WeakPolarHBondContact O-CD 3.39Å; P198-L200 PolarHBondContact O-N 3.41Å; P198-L200 VanDerWaalsContact O-N 3.13Å
199S58.4Low62.3Low80 Ų8074.1 Ų74.156%0.55944%0.439SS*.  trans-45.7124.8-174.358.70000109.9Q197 V201 G202 C203Q197-S199 PolarHBondContact O-N 3.15Å; S199-V201 PolarHBondContact O-N 2.88Å; S199-G202 WeakPolarHBondContact O-CA 3.5Å; S199-G202 PolarHBondContact O-N 3.19Å; S199-G202 PolarHBondContact OG-N 3.2Å; S199-C203 PolarHBondContact O-N 3.27Å
200L68.6Low64.1Low79 Ų7970.2 Ų70.241%0.41442%0.416SS..Hα-helixtrans-48.7-33.7178.4-174.366.1000111.3P198 C203 K204 G271P198-L200 PolarHBondContact O-N 3.41Å; P198-L200 VanDerWaalsContact O-N 3.13Å; L200-C203 PolarHBondContact O-N 3.36Å; L200-K204 WeakPolarHBondContact O-CG 3.33Å; L200-K204 PolarHBondContact O-N 3.33Å; L200-K204 VanDerWaalsContact O-N 3.13Å; L200-G271 WeakPolarHBondContact CD1-O 3.45Å
201V72.6Confident65.9Low112 Ų11268.7 Ų68.768%0.67941%0.412SS*.Hα-helixtrans-62.1-44.9173.5-175.70000112.7S199 C203 K204 A205S199-V201 PolarHBondContact O-N 2.88Å; V201-C203 PolarHBondContact O-N 3.45Å; V201-K204 PolarHBondContact O-N 2.91Å; V201-A205 VanDerWaalsContact O-CB 3.29Å; V201-A205 WeakPolarHBondContact O-CB 3.35Å; V201-A205 PolarHBondContact O-N 2.9Å
202G73.1Confident68.2Low31 Ų3167.9 Ų67.932%0.3240%0.399SS..Hα-helixtrans-64.5-36.9177.500000113.1S199 S206S199-G202 WeakPolarHBondContact O-CA 3.5Å; S199-G202 PolarHBondContact O-N 3.19Å; S199-G202 PolarHBondContact OG-N 3.2Å; G202-S206 WeakPolarHBondContact O-CB 3.45Å; G202-S206 PolarHBondContact O-N 2.91Å
203C77Confident70.8Confident11 Ų1166 Ų667%0.07438%0.381CS..Hα-helixtrans-65.3-47.8174.5-165.30000111.4S199 L200 V201 S206 L207 C272S199-C203 PolarHBondContact O-N 3.27Å; L200-C203 PolarHBondContact O-N 3.36Å; V201-C203 PolarHBondContact O-N 3.45Å; C203-S206 PolarHBondContact O-N 3.47Å; C203-L207 PolarHBondContact O-N 2.81Å; C203-L207 VanDerWaalsContact O-N 3.16Å; C203-C272 VanDerWaalsContact C-SG 3.58Å; C203-C272 HydrophobicContact CB-CB 4.01Å; C203-C272 WeakPolarHBondContact CB-SG 3.44Å; C203-C272 WeakPolarHBondContact SG-CB 3.38Å; C203-C272 CovalentContact SG-SG 2.03Å; C203-C272 PolarHBondContact SG-SG 2.03Å
204K78.6Confident72.9Confident29 Ų2962.1 Ų62.113%0.12635%0.354CS..Hα-helixtrans-59.9-48.7175.3-70.4178.3-178.7-176.10111.4L200 V201 S206 L207 V208 D269 G271 W273L200-K204 WeakPolarHBondContact O-CG 3.33Å; L200-K204 PolarHBondContact O-N 3.33Å; L200-K204 VanDerWaalsContact O-N 3.13Å; V201-K204 PolarHBondContact O-N 2.91Å; K204-S206 PolarHBondContact O-N 2.98Å; K204-L207 PolarHBondContact O-N 3.4Å; K204-V208 WeakPolarHBondContact O-CG2 3.38Å; K204-V208 PolarHBondContact O-N 3.01Å; K204-D269 IonicContact NZ-OD1 3Å; K204-D269 PolarHBondContact NZ-OD1 3.26Å; K204-D269 IonicContact NZ-OD2 3.84Å; K204-D269 PolarHBondContact NZ-OD2 3.48Å; K204-G271 WeakPolarHBondContact CE-O 3.09Å; K204-W273 HydrophobicContact CB-CD2 4.48Å; K204-W273 HydrophobicContact CB-CE3 4.32Å; K204-W273 HydrophobicContact CB-CZ3 4.48Å; K204-W273 HydrophobicContact CD-CD2 4.46Å; K204-W273 HydrophobicContact CD-CZ2 4.13Å; K204-W273 HydrophobicContact CG-CD2 4.15Å; K204-W273 HydrophobicContact CG-CE3 4.48Å; K204-W273 HydrophobicContact CG-CG 4.43Å
205A82.6Confident74.7Confident37 Ų3758 Ų5831%0.30633%0.326SS..Hα-helixtrans-60.2-45.2179.300000112V201 L207 V208 F209V201-A205 VanDerWaalsContact O-CB 3.29Å; V201-A205 WeakPolarHBondContact O-CB 3.35Å; V201-A205 PolarHBondContact O-N 2.9Å; A205-L207 VanDerWaalsContact C-N 3.31Å; A205-L207 PolarHBondContact O-N 3.07Å; A205-V208 PolarHBondContact O-N 2.89Å; A205-F209 HydrophobicContact CB-CE2 4.41Å; A205-F209 WeakPolarHBondContact O-CD2 3.38Å; A205-F209 PolarHBondContact O-N 3.24Å
206S81.6Confident77.1Confident16 Ų1653.1 Ų53.111%0.11229%0.293CS..Hα-helixtrans-61.1-37.9178-173.10000112.8I186 G202 C203 K204 F209 F210I186-S206 VanDerWaalsContact CD1-CB 3.5Å; I186-S206 VanDerWaalsContact CD1-OG 3.31Å; I186-S206 WeakPolarHBondContact CD1-OG 3.46Å; G202-S206 WeakPolarHBondContact O-CB 3.45Å; G202-S206 PolarHBondContact O-N 2.91Å; C203-S206 PolarHBondContact O-N 3.47Å; K204-S206 PolarHBondContact O-N 2.98Å; S206-F209 PolarHBondContact O-N 2.99Å; S206-F210 VanDerWaalsContact O-CB 3.31Å; S206-F210 WeakPolarHBondContact O-CB 3.43Å; S206-F210 PolarHBondContact O-N 3.41Å
207L81.8Confident79.3Confident13 Ų1346.2 Ų46.27%0.06826%0.255CS..Hα-helixtrans-66.8-41.7176.1-80.3161.3000111.8C203 K204 A205 F209 F210 H211 C272 W273 E274C203-L207 PolarHBondContact O-N 2.81Å; C203-L207 VanDerWaalsContact O-N 3.16Å; K204-L207 PolarHBondContact O-N 3.4Å; A205-L207 VanDerWaalsContact C-N 3.31Å; A205-L207 PolarHBondContact O-N 3.07Å; L207-F209 PolarHBondContact O-N 2.95Å; L207-F210 WeakPolarHBondContact O-CB 3.3Å; L207-F210 PolarHBondContact O-N 2.93Å; L207-H211 PolarHBondContact O-CD2 3.33Å; L207-H211 PolarHBondContact O-N 3.3Å; L207-C272 WeakPolarHBondContact CD1-SG 3.22Å; L207-W273 HydrophobicContact CD1-CB 4.11Å; L207-E274 HydrophobicContact CD1-CB 4.33Å
208V88.5Confident81.2Confident33 Ų3338.5 Ų38.520%0.222%0.22CC..Hα-helixtrans-59.9-47.8175.6174.90000110.5K204 A205 F210 H211 Y212 V257 W260 V261 W273K204-V208 WeakPolarHBondContact O-CG2 3.38Å; K204-V208 PolarHBondContact O-N 3.01Å; A205-V208 PolarHBondContact O-N 2.89Å; V208-F210 VanDerWaalsContact C-N 3.33Å; V208-F210 PolarHBondContact O-N 3.36Å; V208-H211 PolarHBondContact O-N 3.29Å; V208-Y212 WeakPolarHBondContact O-CB 3.48Å; V208-Y212 PolarHBondContact O-N 3.15Å; V208-V257 HydrophobicContact CG1-CG1 3.95Å; V208-W260 HydrophobicContact CG2-CZ3 4.12Å; V208-V261 HydrophobicContact CG1-CG2 3.92Å; V208-V261 HydrophobicContact CG2-CG2 3.75Å; V208-W273 HydrophobicContact CG2-CE3 4.01Å; V208-W273 HydrophobicContact CG2-CZ3 3.6Å
209F88.8Confident83.3Confident117 Ų11736.3 Ų36.351%0.51320%0.203SC..Hα-helixtrans-60.8-42.4175.9-76.1-60.3000112A205 S206 L207 Y212 F213A205-F209 HydrophobicContact CB-CE2 4.41Å; A205-F209 WeakPolarHBondContact O-CD2 3.38Å; A205-F209 PolarHBondContact O-N 3.24Å; S206-F209 PolarHBondContact O-N 2.99Å; L207-F209 PolarHBondContact O-N 2.95Å; F209-Y212 PolarHBondContact O-N 3.16Å; F209-F213 HydrophobicContact CB-CD2 4.16Å; F209-F213 HydrophobicContact CB-CE2 3.84Å; F209-F213 AromaticContact CD1-CE2 3.99Å; F209-F213 HydrophobicContact CD1-CE2 3.99Å; F209-F213 HydrophobicContact CD1-CZ 4.11Å; F209-F213 HydrophobicContact CG-CE2 4.27Å; F209-F213 WeakPolarHBondContact O-CD2 3.47Å; F209-F213 WeakPolarHBondContact O-CG 3.48Å; F209-F213 PolarHBondContact O-N 3.01Å
210F87.2Confident84.9Confident36 Ų3632.5 Ų32.516%0.15818%0.177CC..Hα-helixtrans-56.8-51.5176174-100.4000112.3A179 V180 K183 S206 L207 V208 Y212 F213 I214A179-F210 HydrophobicContact CB-CD2 4.4Å; V180-F210 HydrophobicContact CG2-CD2 4.48Å; V180-F210 HydrophobicContact CG2-CE2 3.87Å; K183-F210 HydrophobicContact CB-CD2 4.26Å; K183-F210 HydrophobicContact CD-CD1 4.29Å; K183-F210 HydrophobicContact CD-CD2 3.92Å; K183-F210 HydrophobicContact CD-CE1 4.16Å; K183-F210 HydrophobicContact CD-CE2 3.77Å; K183-F210 HydrophobicContact CD-CG 4.16Å; K183-F210 HydrophobicContact CD-CZ 3.88Å; S206-F210 VanDerWaalsContact O-CB 3.31Å; S206-F210 WeakPolarHBondContact O-CB 3.43Å; S206-F210 PolarHBondContact O-N 3.41Å; L207-F210 WeakPolarHBondContact O-CB 3.3Å; L207-F210 PolarHBondContact O-N 2.93Å; V208-F210 VanDerWaalsContact C-N 3.33Å; V208-F210 PolarHBondContact O-N 3.36Å; F210-Y212 VanDerWaalsContact C-N 3.34Å; F210-Y212 PolarHBondContact O-N 2.98Å; F210-F213 PolarHBondContact O-N 3.41Å; F210-I214 HydrophobicContact CD1-CD1 3.86Å; F210-I214 HydrophobicContact CD2-CD1 3.98Å; F210-I214 HydrophobicContact CE1-CD1 3.38Å; F210-I214 HydrophobicContact CE2-CD1 3.52Å; F210-I214 HydrophobicContact CE2-CG1 4.45Å; F210-I214 HydrophobicContact CG-CD1 4.14Å; F210-I214 HydrophobicContact CZ-CD1 3.2Å; F210-I214 WeakPolarHBondContact O-CG1 3.25Å; F210-I214 PolarHBondContact O-N 3.36Å
211H87.6Confident85.8Confident32 Ų3228.7 Ų28.715%0.14816%0.157CC..Hα-helixtrans-62.9-40.6177.8-73.6-61.5000112.4L207 V208 M215 W260 I285L207-H211 PolarHBondContact O-CD2 3.33Å; L207-H211 PolarHBondContact O-N 3.3Å; V208-H211 PolarHBondContact O-N 3.29Å; H211-M215 WeakPolarHBondContact O-CB 3.45Å; H211-M215 PolarHBondContact O-N 3.44Å; H211-W260 AromaticContact CD2-CH2 3.56Å; H211-W260 AromaticContact CD2-CZ2 3.98Å; H211-W260 AromaticContact NE2-CH2 3.96Å; H211-I285 HydrophobicContact CB-CD1 4.02Å; H211-I285 HydrophobicContact CB-CG1 4.4Å
212Y91.9Very high86.5Confident49 Ų4924.1 Ų24.119%0.19213%0.129CC..Hα-helixtrans-61.6-49176.4174.7-105.7000112.8V208 F209 F210 I214 M215 A216 P253 T254 V257V208-Y212 WeakPolarHBondContact O-CB 3.48Å; V208-Y212 PolarHBondContact O-N 3.15Å; F209-Y212 PolarHBondContact O-N 3.16Å; F210-Y212 VanDerWaalsContact C-N 3.34Å; F210-Y212 PolarHBondContact O-N 2.98Å; Y212-I214 PolarHBondContact O-N 3.3Å; Y212-M215 PolarHBondContact O-N 3.49Å; Y212-A216 VanDerWaalsContact O-CB 3.25Å; Y212-A216 WeakPolarHBondContact O-CB 3.2Å; Y212-A216 PolarHBondContact O-N 2.82Å; Y212-P253 HydrophobicContact CD2-CB 4.14Å; Y212-P253 HydrophobicContact CE2-CB 3.95Å; Y212-T254 WeakPolarHBondContact CE2-OG1 3.25Å; Y212-V257 HydrophobicContact CD2-CG2 4.39Å
213F91.9Very high87.3Confident36 Ų3622.7 Ų22.716%0.15811%0.114CC..Hα-helixtrans-70.8-31.6-177.3-64.4-48.9000113L175 A179 F209 F210 N217L175-F213 HydrophobicContact CB-CB 4.37Å; L175-F213 HydrophobicContact CB-CD1 3.59Å; L175-F213 HydrophobicContact CB-CE1 3.91Å; L175-F213 HydrophobicContact CB-CG 3.93Å; L175-F213 HydrophobicContact CB-CZ 4.47Å; L175-F213 HydrophobicContact CD1-CD1 4.02Å; L175-F213 HydrophobicContact CD1-CE1 3.79Å; L175-F213 HydrophobicContact CD2-CE1 3.96Å; L175-F213 HydrophobicContact CD2-CZ 4.05Å; L175-F213 HydrophobicContact CG-CD1 4.25Å; L175-F213 HydrophobicContact CG-CE1 4.1Å; A179-F213 HydrophobicContact CB-CB 4.12Å; A179-F213 HydrophobicContact CB-CD2 3.61Å; A179-F213 HydrophobicContact CB-CG 4.32Å; F209-F213 HydrophobicContact CB-CD2 4.16Å; F209-F213 HydrophobicContact CB-CE2 3.84Å; F209-F213 AromaticContact CD1-CE2 3.99Å; F209-F213 HydrophobicContact CD1-CE2 3.99Å; F209-F213 HydrophobicContact CD1-CZ 4.11Å; F209-F213 HydrophobicContact CG-CE2 4.27Å; F209-F213 WeakPolarHBondContact O-CD2 3.47Å; F209-F213 WeakPolarHBondContact O-CG 3.48Å; F209-F213 PolarHBondContact O-N 3.01Å; F210-F213 PolarHBondContact O-N 3.41Å; F213-N217 WeakPolarHBondContact O-CB 3.39Å; F213-N217 PolarHBondContact O-N 2.91Å
214I86.8Confident87.8Confident28 Ų2822.4 Ų22.414%0.14411%0.111CC..Hα-helixtrans-63.5-51.1170.3-72173000110.4R176 F210 Y212 N217 F218R176-I214 HydrophobicContact CG-CG1 4.27Å; F210-I214 HydrophobicContact CD1-CD1 3.86Å; F210-I214 HydrophobicContact CD2-CD1 3.98Å; F210-I214 HydrophobicContact CE1-CD1 3.38Å; F210-I214 HydrophobicContact CE2-CD1 3.52Å; F210-I214 HydrophobicContact CE2-CG1 4.45Å; F210-I214 HydrophobicContact CG-CD1 4.14Å; F210-I214 HydrophobicContact CZ-CD1 3.2Å; F210-I214 WeakPolarHBondContact O-CG1 3.25Å; F210-I214 PolarHBondContact O-N 3.36Å; Y212-I214 PolarHBondContact O-N 3.3Å; I214-N217 WeakPolarHBondContact O-CB 3.48Å; I214-N217 PolarHBondContact O-N 3.46Å; I214-F218 HydrophobicContact CG2-CD2 3.97Å; I214-F218 HydrophobicContact CG2-CE2 3.68Å; I214-F218 VanDerWaalsContact O-CD2 3.24Å; I214-F218 WeakPolarHBondContact O-CD2 3.48Å; I214-F218 PolarHBondContact O-N 2.99Å
215M88.3Confident88.1Confident0 Ų021 Ų210%011%0.106CC..Hα-helixtrans-62.2-48.3-179.1-171.7175.7-7200110.9H211 Y212 N217 F218 F219 P253 F256 V257 I285 P288 I289H211-M215 WeakPolarHBondContact O-CB 3.45Å; H211-M215 PolarHBondContact O-N 3.44Å; Y212-M215 PolarHBondContact O-N 3.49Å; M215-N217 PolarHBondContact O-N 3.3Å; M215-F218 PolarHBondContact O-N 3.16Å; M215-F219 HydrophobicContact CG-CD2 3.7Å; M215-F219 HydrophobicContact CG-CE2 3.62Å; M215-F219 WeakPolarHBondContact O-CD2 3.29Å; M215-F219 PolarHBondContact O-N 3.05Å; M215-F219 HydrophobicContact SD-CE2 4.17Å; M215-P253 HydrophobicContact CB-CB 4.29Å; M215-P253 HydrophobicContact CG-CB 3.97Å; M215-P253 HydrophobicContact CG-CG 4.35Å; M215-P253 HydrophobicContact SD-CB 4.18Å; M215-F256 HydrophobicContact CE-CB 4.07Å; M215-F256 HydrophobicContact SD-CB 3.65Å; M215-F256 HydrophobicContact SD-CD2 4.36Å; M215-F256 HydrophobicContact SD-CG 4.4Å; M215-V257 HydrophobicContact CE-CG2 4.48Å; M215-V257 HydrophobicContact SD-CG2 4.18Å; M215-I285 HydrophobicContact CE-CD1 3.56Å; M215-I285 HydrophobicContact CE-CG1 4.39Å; M215-P288 HydrophobicContact CE-CB 4.24Å; M215-I289 HydrophobicContact CE-CD1 4.37Å; M215-I289 HydrophobicContact CE-CG1 4Å
216A92.8Very high88.3Confident0 Ų021.6 Ų21.60%010%0.103CC..Hα-helixtrans-56.3-38.4176.400000112.3Y212 F219 W220 W250 P253Y212-A216 VanDerWaalsContact O-CB 3.25Å; Y212-A216 WeakPolarHBondContact O-CB 3.2Å; Y212-A216 PolarHBondContact O-N 2.82Å; A216-F219 PolarHBondContact O-N 3.01Å; A216-W220 WeakPolarHBondContact O-CB 3.39Å; A216-W220 VanDerWaalsContact O-CD1 3.25Å; A216-W220 PolarHBondContact O-N 3.28Å; A216-W250 HydrophobicContact CB-CE3 4.03Å; A216-W250 HydrophobicContact CB-CZ3 3.86Å; A216-P253 HydrophobicContact CB-CB 4.28Å; A216-P253 HydrophobicContact CB-CG 4.22Å
217N91.1Very high88.5Confident0 Ų022.5 Ų22.50%010%0.104CC..Hα-helixtrans-62.3-43.3175.4179.8-119.4000112.6S172 F173 R176 F213 I214 M215 W220 L221S172-N217 PolarHBondContact OG-ND2 3.3Å; S172-N217 VanDerWaalsContact OG-ND2 3.14Å; F173-N217 VanDerWaalsContact CD1-ND2 3.33Å; F173-N217 WeakPolarHBondContact CD1-ND2 3.42Å; F173-N217 WeakPolarHBondContact CD2-ND2 3.19Å; F173-N217 WeakPolarHBondContact CE1-ND2 3.32Å; F173-N217 WeakPolarHBondContact CE2-ND2 3.5Å; F173-N217 VanDerWaalsContact CG-ND2 3.35Å; F173-N217 WeakPolarHBondContact CG-ND2 3.41Å; F173-N217 WeakPolarHBondContact CZ-ND2 3.29Å; R176-N217 HydrophobicContact CB-CB 4.32Å; R176-N217 VanDerWaalsContact CD-OD1 3.31Å; R176-N217 WeakPolarHBondContact CD-OD1 3.15Å; R176-N217 PolarHBondContact NH1-OD1 2.86Å; F213-N217 WeakPolarHBondContact O-CB 3.39Å; F213-N217 PolarHBondContact O-N 2.91Å; I214-N217 WeakPolarHBondContact O-CB 3.48Å; I214-N217 PolarHBondContact O-N 3.46Å; M215-N217 PolarHBondContact O-N 3.3Å; N217-W220 PolarHBondContact O-N 2.89Å; N217-L221 WeakPolarHBondContact O-CG 3.33Å; N217-L221 PolarHBondContact O-N 3.41Å
218F87.9Confident88.5Confident7 Ų724.5 Ų24.53%0.03112%0.115CC..Hα-helixtrans-65.7-39.4175.7-74.9-67.1000113.1I214 M215 L221 L222 I289 I293 N296 Y342I214-F218 HydrophobicContact CG2-CD2 3.97Å; I214-F218 HydrophobicContact CG2-CE2 3.68Å; I214-F218 VanDerWaalsContact O-CD2 3.24Å; I214-F218 WeakPolarHBondContact O-CD2 3.48Å; I214-F218 PolarHBondContact O-N 2.99Å; M215-F218 PolarHBondContact O-N 3.16Å; F218-L221 HydrophobicContact CD1-CD1 4.48Å; F218-L221 WeakPolarHBondContact O-CB 3.34Å; F218-L221 PolarHBondContact O-N 2.91Å; F218-L222 PolarHBondContact O-N 3.46Å; F218-I289 HydrophobicContact CD2-CG2 3.87Å; F218-I289 HydrophobicContact CE2-CG2 3.78Å; F218-I289 HydrophobicContact CZ-CG2 4.4Å; F218-I293 HydrophobicContact CD1-CG1 4Å; F218-I293 HydrophobicContact CE1-CD1 4.02Å; F218-I293 HydrophobicContact CE1-CG1 3.86Å; F218-I293 HydrophobicContact CZ-CD1 4.14Å; F218-I293 HydrophobicContact CZ-CG1 4.46Å; F218-N296 PolarHBondContact O-ND2 3.08Å; F218-Y342 AromaticContact CE1-CD2 3.79Å; F218-Y342 HydrophobicContact CE1-CD2 3.79Å; F218-Y342 AromaticContact CE1-CE2 3.57Å; F218-Y342 HydrophobicContact CE1-CE2 3.57Å; F218-Y342 AromaticContact CZ-CD2 3.92Å; F218-Y342 HydrophobicContact CZ-CD2 3.92Å; F218-Y342 AromaticContact CZ-CE2 3.48Å; F218-Y342 HydrophobicContact CZ-CE2 3.48Å; F218-Y342 VanDerWaalsContact CZ-CE2 3.48Å; F218-Y342 AromaticContact CZ-CZ 3.9Å
219F91.1Very high88.2Confident16 Ų1625.1 Ų25.17%0.0712%0.115CC..Hα-helixtrans-69.4-34.8176-84.5-89.1000112.3M215 A216 L222 V223 I248 I252 P253 F256M215-F219 HydrophobicContact CG-CD2 3.7Å; M215-F219 HydrophobicContact CG-CE2 3.62Å; M215-F219 WeakPolarHBondContact O-CD2 3.29Å; M215-F219 PolarHBondContact O-N 3.05Å; M215-F219 HydrophobicContact SD-CE2 4.17Å; A216-F219 PolarHBondContact O-N 3.01Å; F219-L222 HydrophobicContact CD1-CD2 4.31Å; F219-L222 WeakPolarHBondContact O-CB 2.98Å; F219-L222 PolarHBondContact O-N 3.45Å; F219-V223 WeakPolarHBondContact O-CG2 3.15Å; F219-V223 PolarHBondContact O-N 3.46Å; F219-I248 HydrophobicContact CD1-CG2 4.39Å; F219-I252 HydrophobicContact CD1-CB 4.28Å; F219-I252 HydrophobicContact CD1-CG2 4.16Å; F219-I252 HydrophobicContact CE1-CB 4Å; F219-I252 HydrophobicContact CE1-CD1 4.4Å; F219-I252 HydrophobicContact CE1-CG2 3.4Å; F219-I252 VanDerWaalsContact CE1-CG2 3.4Å; F219-I252 HydrophobicContact CE2-CG2 4.39Å; F219-I252 HydrophobicContact CZ-CB 4.47Å; F219-I252 HydrophobicContact CZ-CG2 3.54Å; F219-P253 HydrophobicContact CB-CG 3.85Å; F219-P253 HydrophobicContact CD2-CG 3.68Å; F219-P253 HydrophobicContact CE2-CG 4.4Å; F219-P253 HydrophobicContact CG-CG 3.81Å; F219-F256 HydrophobicContact CZ-CD2 4.32Å; F219-F256 HydrophobicContact CZ-CE2 4.16Å
220W92.7Very high87.9Confident0 Ų021.9 Ų21.90%011%0.105CC..Hα-helixtrans-68.6-36.1172.7-88.9102.3000112.9I165 N168 L169 A216 N217 L222 V223 E224 M246 W250I165-W220 HydrophobicContact CD1-CZ3 4.2Å; I165-W220 HydrophobicContact CG2-CZ3 4.41Å; N168-W220 HydrophobicContact CB-CD2 3.94Å; N168-W220 HydrophobicContact CB-CE3 3.67Å; N168-W220 HydrophobicContact CB-CH2 3.23Å; N168-W220 HydrophobicContact CB-CZ2 3.52Å; N168-W220 HydrophobicContact CB-CZ3 3.31Å; L169-W220 HydrophobicContact CD1-CB 3.88Å; A216-W220 WeakPolarHBondContact O-CB 3.39Å; A216-W220 VanDerWaalsContact O-CD1 3.25Å; A216-W220 PolarHBondContact O-N 3.28Å; N217-W220 PolarHBondContact O-N 2.89Å; W220-L222 VanDerWaalsContact C-N 3.29Å; W220-V223 HydrophobicContact CE3-CB 4.27Å; W220-V223 HydrophobicContact CE3-CG1 4.14Å; W220-V223 HydrophobicContact CZ3-CG1 3.92Å; W220-V223 PolarHBondContact O-N 3.38Å; W220-E224 PolarHBondContact O-N 3.07Å; W220-M246 HydrophobicContact CH2-CE 4.32Å; W220-M246 HydrophobicContact CH2-SD 4.07Å; W220-M246 HydrophobicContact CZ2-SD 3.88Å; W220-W250 AromaticContact CE2-CD1 3.9Å; W220-W250 AromaticContact CE2-CE2 3.67Å; W220-W250 AromaticContact CE2-NE1 3.49Å; W220-W250 AromaticContact CZ2-CD1 3.46Å; W220-W250 VanDerWaalsContact CZ2-CD1 3.46Å; W220-W250 HydrophobicContact CZ2-CD2 4.49Å; W220-W250 AromaticContact CZ2-CE2 3.86Å; W220-W250 HydrophobicContact CZ2-CG 4.27Å; W220-W250 HydrophobicContact CZ2-CZ2 4.49Å; W220-W250 AromaticContact CZ2-NE1 3.16Å; W220-W250 AromaticContact NE1-CD1 3.73Å; W220-W250 AromaticContact NE1-CD2 3.32Å; W220-W250 VanDerWaalsContact NE1-CD2 3.32Å; W220-W250 AromaticContact NE1-CE2 3.06Å; W220-W250 AromaticContact NE1-CE3 3.84Å; W220-W250 AromaticContact NE1-CG 3.75Å; W220-W250 AromaticContact NE1-CH2 3.87Å; W220-W250 AromaticContact NE1-CZ2 3.36Å; W220-W250 AromaticContact NE1-NE1 3.35Å
221L86.9Confident87.5Confident0 Ų024.8 Ų24.80%012%0.122CC..Hα-helixtrans-61.3-40169-73.7166.8000111.4L169 F173 N217 F218 E224 G225 L337L169-L221 HydrophobicContact CD1-CD2 3.86Å; L169-L221 HydrophobicContact CD1-CG 4.02Å; F173-L221 HydrophobicContact CE2-CD2 4.04Å; F173-L221 HydrophobicContact CE2-CG 4.46Å; F173-L221 HydrophobicContact CZ-CD1 4.15Å; F173-L221 HydrophobicContact CZ-CD2 4Å; F173-L221 HydrophobicContact CZ-CG 4.31Å; N217-L221 WeakPolarHBondContact O-CG 3.33Å; N217-L221 PolarHBondContact O-N 3.41Å; F218-L221 HydrophobicContact CD1-CD1 4.48Å; F218-L221 WeakPolarHBondContact O-CB 3.34Å; F218-L221 PolarHBondContact O-N 2.91Å; L221-E224 PolarHBondContact O-N 2.62Å; L221-G225 PolarHBondContact O-N 3.25Å; L221-L337 WeakPolarHBondContact CD2-O 3.1Å
222L88Confident86.9Confident16 Ų1626.7 Ų26.78%0.08413%0.133CC..Hα-helixtrans-63.8-45.2173.9178.364.8000112.4F218 F219 W220 E224 G225 L226 V295 N296F218-L222 PolarHBondContact O-N 3.46Å; F219-L222 HydrophobicContact CD1-CD2 4.31Å; F219-L222 WeakPolarHBondContact O-CB 2.98Å; F219-L222 PolarHBondContact O-N 3.45Å; W220-L222 VanDerWaalsContact C-N 3.29Å; L222-E224 VanDerWaalsContact C-N 3.32Å; L222-E224 PolarHBondContact O-N 2.99Å; L222-G225 PolarHBondContact O-N 3.43Å; L222-L226 HydrophobicContact CD1-CD1 4.13Å; L222-L226 HydrophobicContact CD1-CG 4.09Å; L222-L226 HydrophobicContact CG-CD1 3.9Å; L222-L226 HydrophobicContact CG-CG 4.3Å; L222-L226 WeakPolarHBondContact O-CB 3.31Å; L222-L226 WeakPolarHBondContact O-CG 3.28Å; L222-L226 PolarHBondContact O-N 2.98Å; L222-V295 HydrophobicContact CD1-CB 4.21Å; L222-V295 HydrophobicContact CD1-CG1 3.54Å; L222-N296 WeakPolarHBondContact CA-OD1 3.29Å; L222-N296 WeakPolarHBondContact CB-OD1 3.37Å; L222-N296 WeakPolarHBondContact CD1-OD1 3.4Å; L222-N296 PolarHBondContact N-OD1 3.02Å
223V90.4Very high86.2Confident0 Ų028.3 Ų28.30%015%0.147CC..Hα-helixtrans-60.3-42.6176.8168.10000111.1I165 F219 W220 L226 Y227 Y245 I248I165-V223 HydrophobicContact CD1-CG1 4.32Å; I165-V223 HydrophobicContact CG2-CG1 4.41Å; F219-V223 WeakPolarHBondContact O-CG2 3.15Å; F219-V223 PolarHBondContact O-N 3.46Å; W220-V223 HydrophobicContact CE3-CB 4.27Å; W220-V223 HydrophobicContact CE3-CG1 4.14Å; W220-V223 HydrophobicContact CZ3-CG1 3.92Å; W220-V223 PolarHBondContact O-N 3.38Å; V223-L226 PolarHBondContact O-N 3.5Å; V223-Y227 WeakPolarHBondContact O-CB 3.05Å; V223-Y227 PolarHBondContact O-N 3.33Å; V223-Y245 HydrophobicContact CG1-CD1 4.25Å; V223-Y245 HydrophobicContact CG1-CG 4.19Å; V223-I248 HydrophobicContact CG2-CB 3.89Å; V223-I248 HydrophobicContact CG2-CG2 3.58Å
224E87Confident85.3Confident5 Ų530.5 Ų30.52%0.02316%0.164CC..Hα-helixtrans-61.4-44.7174.9-176.6175.4-129.500111.7H166 L169 W220 L221 L222 Y227 L228 Y374H166-E224 IonicContact CE1-OE1 3.09Å; H166-E224 PolarHBondContact CE1-OE1 3.37Å; H166-E224 IonicContact ND1-OE1 3.94Å; H166-E224 PolarHBondContact ND1-OE1 3.37Å; L169-E224 VanDerWaalsContact CD2-CD 3.42Å; L169-E224 WeakPolarHBondContact CD2-OE1 3.26Å; L169-E224 WeakPolarHBondContact CD2-OE2 3.42Å; W220-E224 PolarHBondContact O-N 3.07Å; L221-E224 PolarHBondContact O-N 2.62Å; L222-E224 VanDerWaalsContact C-N 3.32Å; L222-E224 PolarHBondContact O-N 2.99Å; E224-Y227 PolarHBondContact O-N 3.21Å; E224-L228 WeakPolarHBondContact O-CB 3.34Å; E224-L228 PolarHBondContact O-N 3.16Å; E224-Y374 VanDerWaalsContact CD-OH 3.28Å; E224-Y374 VanDerWaalsContact OE1-CE2 3.24Å; E224-Y374 WeakPolarHBondContact OE1-CE2 3.42Å; E224-Y374 PolarHBondContact OE1-OH 3.07Å; E224-Y374 VanDerWaalsContact OE1-OH 3.06Å; E224-Y374 PolarHBondContact OE2-OH 2.88Å
225G85Confident84.1Confident1 Ų136.1 Ų36.11%0.0119%0.193CC..Hα-helixtrans-62.4-45.6176.900000113.2L221 L222 L228 H229L221-G225 PolarHBondContact O-N 3.25Å; L222-G225 PolarHBondContact O-N 3.43Å; G225-L228 PolarHBondContact O-N 2.94Å; G225-H229 WeakPolarHBondContact O-CB 3.31Å; G225-H229 PolarHBondContact O-N 3.45Å
226L87.1Confident82.4Confident48 Ų4845.1 Ų45.125%0.25123%0.232SC..Hα-helixtrans-64.4-42.3177-72.6173.1000111.7L222 V223 H229 T230L222-L226 HydrophobicContact CD1-CD1 4.13Å; L222-L226 HydrophobicContact CD1-CG 4.09Å; L222-L226 HydrophobicContact CG-CD1 3.9Å; L222-L226 HydrophobicContact CG-CG 4.3Å; L222-L226 WeakPolarHBondContact O-CB 3.31Å; L222-L226 WeakPolarHBondContact O-CG 3.28Å; L222-L226 PolarHBondContact O-N 2.98Å; V223-L226 PolarHBondContact O-N 3.5Å; L226-H229 PolarHBondContact O-N 3.49Å; L226-T230 WeakPolarHBondContact O-CB 3.21Å; L226-T230 PolarHBondContact O-N 3.3Å; L226-T230 PolarHBondContact O-OG1 3.44Å
227Y85.5Confident80.4Confident36 Ų3649.4 Ų49.414%0.14126%0.262CS..Hα-helixtrans-60.9-49176.5174.2-99.1000111R162 I165 V223 E224 H229 T230 L231 Y245R162-Y227 HydrophobicContact CB-CE1 4.18Å; R162-Y227 HydrophobicContact CG-CE1 4.2Å; I165-Y227 HydrophobicContact CG1-CD2 4.49Å; V223-Y227 WeakPolarHBondContact O-CB 3.05Å; V223-Y227 PolarHBondContact O-N 3.33Å; E224-Y227 PolarHBondContact O-N 3.21Å; Y227-H229 VanDerWaalsContact C-N 3.35Å; Y227-H229 PolarHBondContact O-N 3.36Å; Y227-T230 PolarHBondContact O-N 2.75Å; Y227-L231 WeakPolarHBondContact O-CB 3.35Å; Y227-L231 PolarHBondContact O-N 3.28Å; Y227-Y245 HydrophobicContact CD2-CD2 4.48Å; Y227-Y245 AromaticContact CD2-CE2 3.99Å; Y227-Y245 HydrophobicContact CD2-CE2 3.99Å
228L81.6Confident78.8Confident54 Ų5455.4 Ų55.428%0.28329%0.29SS..Hα-helixtrans-62.9-41.9179.1-175.463.5000111.8E224 G225 L231 L232 I303E224-L228 WeakPolarHBondContact O-CB 3.34Å; E224-L228 PolarHBondContact O-N 3.16Å; G225-L228 PolarHBondContact O-N 2.94Å; L228-L231 PolarHBondContact O-N 2.87Å; L228-L232 HydrophobicContact CG-CD1 4.36Å; L228-L232 VanDerWaalsContact O-CG 3.31Å; L228-L232 WeakPolarHBondContact O-CG 3.47Å; L228-L232 PolarHBondContact O-N 2.89Å; L228-L232 VanDerWaalsContact O-N 3.13Å; L228-I303 HydrophobicContact CD2-CD1 4.12Å; L228-I303 HydrophobicContact CD2-CG2 4.07Å
229H82Confident77.5Confident47 Ų4761.3 Ų61.322%0.21832%0.322CS..Hα-helixtrans-64.3-44.2176.8-179.5-103.5000112.8G225 L226 Y227 L231 L232 V233 Q299 I303G225-H229 WeakPolarHBondContact O-CB 3.31Å; G225-H229 PolarHBondContact O-N 3.45Å; L226-H229 PolarHBondContact O-N 3.49Å; Y227-H229 VanDerWaalsContact C-N 3.35Å; Y227-H229 PolarHBondContact O-N 3.36Å; H229-L231 VanDerWaalsContact C-N 3.32Å; H229-L231 PolarHBondContact O-N 3.44Å; H229-L232 PolarHBondContact O-N 3.43Å; H229-L232 VanDerWaalsContact O-N 3.15Å; H229-V233 WeakPolarHBondContact O-CG2 3.47Å; H229-V233 PolarHBondContact O-N 2.91Å; H229-Q299 VanDerWaalsContact CB-CD 3.43Å; H229-Q299 HydrophobicContact CB-CG 4.48Å; H229-Q299 PolarHBondContact CD2-NE2 2.83Å; H229-I303 HydrophobicContact CB-CG1 4.43Å
230T82.8Confident76.3Confident49 Ų4968.3 Ų68.330%0.30136%0.355SS..Hα-helixtrans-61.4-43.4177.7-55.80000110.5L226 Y227 L232 V233 V234L226-T230 WeakPolarHBondContact O-CB 3.21Å; L226-T230 PolarHBondContact O-N 3.3Å; L226-T230 PolarHBondContact O-OG1 3.44Å; Y227-T230 PolarHBondContact O-N 2.75Å; T230-L232 VanDerWaalsContact C-N 3.27Å; T230-L232 PolarHBondContact O-N 3.25Å; T230-V233 PolarHBondContact O-N 2.91Å; T230-V234 HydrophobicContact CG2-CB 4.35Å; T230-V234 WeakPolarHBondContact O-CA 3.27Å; T230-V234 PolarHBondContact O-N 3.46Å
231L79.4Confident75.5Confident97 Ų9772.5 Ų72.551%0.50837%0.374SS..Hα-helixtrans-59.9-35.1175.7-173.372.7000113Y227 L228 H229Y227-L231 WeakPolarHBondContact O-CB 3.35Å; Y227-L231 PolarHBondContact O-N 3.28Å; L228-L231 PolarHBondContact O-N 2.87Å; H229-L231 VanDerWaalsContact C-N 3.32Å; H229-L231 PolarHBondContact O-N 3.44Å
232L75.4Confident75.2Confident71 Ų7175.3 Ų75.337%0.37239%0.387SS..Hα-helixtrans-80.1-29.3-179.2-71.4174.1000113.7L228 H229 T230 I303 I306L228-L232 HydrophobicContact CG-CD1 4.36Å; L228-L232 VanDerWaalsContact O-CG 3.31Å; L228-L232 WeakPolarHBondContact O-CG 3.47Å; L228-L232 PolarHBondContact O-N 2.89Å; L228-L232 VanDerWaalsContact O-N 3.13Å; H229-L232 PolarHBondContact O-N 3.43Å; H229-L232 VanDerWaalsContact O-N 3.15Å; T230-L232 VanDerWaalsContact C-N 3.27Å; T230-L232 PolarHBondContact O-N 3.25Å; L232-I303 HydrophobicContact CD1-CG2 4.32Å; L232-I306 HydrophobicContact CB-CG2 4.22Å; L232-I306 HydrophobicContact CD1-CG2 4.31Å
233V76.2Confident75.1Confident83 Ų8380.6 Ų80.650%0.50341%0.414SS..Hα-helixtrans-99.8-41.8-174.7176.10000112.3H229 T230 I306H229-V233 WeakPolarHBondContact O-CG2 3.47Å; H229-V233 PolarHBondContact O-N 2.91Å; T230-V233 PolarHBondContact O-N 2.91Å; V233-I306 HydrophobicContact CG2-CD1 3.7Å
234V73.3Confident75Confident82 Ų8284.9 Ų84.950%0.49744%0.436SS..  trans-114106.7-173.4-1760000109T230 F236T230-V234 HydrophobicContact CG2-CB 4.35Å; T230-V234 WeakPolarHBondContact O-CA 3.27Å; T230-V234 PolarHBondContact O-N 3.46Å; V234-F236 PolarHBondContact O-N 3.44Å
235I61.3Low75.2Confident147 Ų14785.8 Ų85.875%0.75444%0.439SS*.  trans-77.996.5164.5-54.9167.4000104.6
236F52.9Low75.4Confident188 Ų18888.5 Ų88.583%0.82545%0.452SS*.  trans166.9144154.3-90.4-65.5000115.5V234V234-F236 PolarHBondContact O-N 3.44Å
237S51.8Low75.7Confident91 Ų9192.4 Ų92.464%0.63647%0.467SS*.  trans55.999164.4-152.30000120.6H241S237-H241 PolarHBondContact O-ND1 3.25Å; S237-H241 VanDerWaalsContact O-ND1 3.17Å
238E57.2Low76Confident126 Ų12692.2 Ų92.259%0.58947%0.468SS*.  trans-80.6-28.5-167.5-66.2-173.3143.400116.8
239N60.3Low76.5Confident130 Ų13089.7 Ų89.770%0.69546%0.455SS*.THydrogen-bonded Turntrans-87.1-34.5-158.6-78.9-13.1000116.3
240Q66.1Low77.1Confident164 Ų16489.7 Ų89.777%0.76645%0.453SS*.THydrogen-bonded Turntrans-80.1-22.4-175.5-164.1168.5-21.500113.1
241H75.6Confident77.6Confident88 Ų8888.1 Ų88.141%0.40745%0.447SS..Hα-helixtrans-77.8-22.9-177.9-6492.8000113.4S237 I243 I244 Y245S237-H241 PolarHBondContact O-ND1 3.25Å; S237-H241 VanDerWaalsContact O-ND1 3.17Å; H241-I243 PolarHBondContact O-N 2.91Å; H241-I244 WeakPolarHBondContact O-CB 3.31Å; H241-I244 PolarHBondContact O-N 3.49Å; H241-Y245 HydrophobicContact CB-CD2 4.46Å; H241-Y245 HydrophobicContact CB-CE2 3.86Å; H241-Y245 WeakPolarHBondContact O-CD2 3.26Å; H241-Y245 PolarHBondContact O-N 3.02Å; H241-Y245 VanDerWaalsContact O-N 3.08Å
242F81.4Confident78.2Confident59 Ų5985.7 Ų85.726%0.25943%0.434SS..Hα-helixtrans-62.8-40.1-177-176.2-100.4000113.4I165 I244 Y245 M246I165-F242 HydrophobicContact CD1-CD2 4.06Å; I165-F242 HydrophobicContact CD1-CE2 3.78Å; I165-F242 HydrophobicContact CG1-CE2 4.41Å; F242-I244 VanDerWaalsContact C-N 3.3Å; F242-I244 PolarHBondContact O-N 2.79Å; F242-Y245 PolarHBondContact O-N 3.34Å; F242-M246 HydrophobicContact CE1-CE 3.8Å; F242-M246 HydrophobicContact CZ-CE 3.66Å; F242-M246 PolarHBondContact O-N 3.47Å
243I84.8Confident79.1Confident127 Ų12782.3 Ų82.365%0.65142%0.416SS*.Hα-helixtrans-64.5-38.5177.7-62.1175.5000110.6H241 M246 F247H241-I243 PolarHBondContact O-N 2.91Å; I243-M246 WeakPolarHBondContact O-CB 3.26Å; I243-M246 PolarHBondContact O-N 3.32Å; I243-F247 PolarHBondContact O-N 3.5Å
244I88.9Confident79.9Confident89 Ų8981.7 Ų81.746%0.45641%0.413SS..Hα-helixtrans-63.3-45.1177-60.7172.6000110H241 F242 M246 F247 I248H241-I244 WeakPolarHBondContact O-CB 3.31Å; H241-I244 PolarHBondContact O-N 3.49Å; F242-I244 VanDerWaalsContact C-N 3.3Å; F242-I244 PolarHBondContact O-N 2.79Å; I244-M246 VanDerWaalsContact C-N 3.3Å; I244-M246 PolarHBondContact O-N 3.26Å; I244-F247 PolarHBondContact O-N 2.97Å; I244-F247 VanDerWaalsContact O-N 3.17Å; I244-I248 HydrophobicContact CG2-CD1 3.89Å; I244-I248 HydrophobicContact CG2-CG1 4.44Å; I244-I248 WeakPolarHBondContact O-CG1 3.39Å; I244-I248 PolarHBondContact O-N 2.92Å
245Y89.9Confident80.9Confident25 Ų2581.6 Ų81.610%0.09841%0.412CS..Hα-helixtrans-60.5-38.6175.6-64.9-43.6000112.7V223 Y227 H241 F242 I248 G249V223-Y245 HydrophobicContact CG1-CD1 4.25Å; V223-Y245 HydrophobicContact CG1-CG 4.19Å; Y227-Y245 HydrophobicContact CD2-CD2 4.48Å; Y227-Y245 AromaticContact CD2-CE2 3.99Å; Y227-Y245 HydrophobicContact CD2-CE2 3.99Å; H241-Y245 HydrophobicContact CB-CD2 4.46Å; H241-Y245 HydrophobicContact CB-CE2 3.86Å; H241-Y245 WeakPolarHBondContact O-CD2 3.26Å; H241-Y245 PolarHBondContact O-N 3.02Å; H241-Y245 VanDerWaalsContact O-N 3.08Å; F242-Y245 PolarHBondContact O-N 3.34Å; Y245-I248 PolarHBondContact O-N 3.48Å; Y245-G249 PolarHBondContact O-N 3Å
246M90.6Very high82.4Confident57 Ų5778.3 Ų78.328%0.28139%0.393SS..Hα-helixtrans-63.3-41.3175-165.764.563.300112.1W220 F242 I243 I244 G249 W250W220-M246 HydrophobicContact CH2-CE 4.32Å; W220-M246 HydrophobicContact CH2-SD 4.07Å; W220-M246 HydrophobicContact CZ2-SD 3.88Å; F242-M246 HydrophobicContact CE1-CE 3.8Å; F242-M246 HydrophobicContact CZ-CE 3.66Å; F242-M246 PolarHBondContact O-N 3.47Å; I243-M246 WeakPolarHBondContact O-CB 3.26Å; I243-M246 PolarHBondContact O-N 3.32Å; I244-M246 VanDerWaalsContact C-N 3.3Å; I244-M246 PolarHBondContact O-N 3.26Å; M246-G249 PolarHBondContact O-N 2.92Å; M246-W250 PolarHBondContact O-N 3.32Å; M246-W250 VanDerWaalsContact O-N 3.07Å
247F91.9Very high84.2Confident130 Ų13069.7 Ų69.757%0.5736%0.356SS*.Iπ-helixtrans-66.1-40.3176.6-176.7-96.8000112.2I243 I244 G251 I252I243-F247 PolarHBondContact O-N 3.5Å; I244-F247 PolarHBondContact O-N 2.97Å; I244-F247 VanDerWaalsContact O-N 3.17Å; F247-G251 WeakPolarHBondContact O-CA 3.44Å; F247-G251 PolarHBondContact O-N 3.38Å; F247-I252 HydrophobicContact CE1-CG1 4.29Å; F247-I252 PolarHBondContact O-N 3.33Å; F247-I252 VanDerWaalsContact O-N 3.13Å
248I91.9Very high86.1Confident33 Ų3368.1 Ų68.117%0.16934%0.344CS..Iπ-helixtrans-65-44.5176.2-65.8167.6000110.7F219 V223 I244 Y245 I252F219-I248 HydrophobicContact CD1-CG2 4.39Å; V223-I248 HydrophobicContact CG2-CB 3.89Å; V223-I248 HydrophobicContact CG2-CG2 3.58Å; I244-I248 HydrophobicContact CG2-CD1 3.89Å; I244-I248 HydrophobicContact CG2-CG1 4.44Å; I244-I248 WeakPolarHBondContact O-CG1 3.39Å; I244-I248 PolarHBondContact O-N 2.92Å; Y245-I248 PolarHBondContact O-N 3.48Å; I248-I252 HydrophobicContact CB-CD1 4.26Å; I248-I252 HydrophobicContact CG1-CD1 4.14Å; I248-I252 HydrophobicContact CG2-CD1 4.18Å
249G92.2Very high87.8Confident0 Ų065.5 Ų65.50%034%0.337CS..Iπ-helixtrans-70.8-42.9-17500000114.5Y245 M246 P253Y245-G249 PolarHBondContact O-N 3Å; M246-G249 PolarHBondContact O-N 2.92Å; G249-P253 WeakPolarHBondContact O-CG 3.29Å
250W94.9Very high89.1Confident47 Ų4759.3 Ų59.318%0.17830%0.304CS..Iπ-helixtrans-108.2-39.6-177.6-64.3116000113.8N168 I171 L175 A216 W220 M246 P253 T254N168-W250 PolarHBondContact OD1-NE1 2.88Å; I171-W250 HydrophobicContact CG2-CH2 4.3Å; I171-W250 HydrophobicContact CG2-CZ2 4.3Å; L175-W250 HydrophobicContact CD1-CH2 3.72Å; L175-W250 HydrophobicContact CD1-CZ3 4.1Å; A216-W250 HydrophobicContact CB-CE3 4.03Å; A216-W250 HydrophobicContact CB-CZ3 3.86Å; W220-W250 AromaticContact CE2-CD1 3.9Å; W220-W250 AromaticContact CE2-CE2 3.67Å; W220-W250 AromaticContact CE2-NE1 3.49Å; W220-W250 AromaticContact CZ2-CD1 3.46Å; W220-W250 VanDerWaalsContact CZ2-CD1 3.46Å; W220-W250 HydrophobicContact CZ2-CD2 4.49Å; W220-W250 AromaticContact CZ2-CE2 3.86Å; W220-W250 HydrophobicContact CZ2-CG 4.27Å; W220-W250 HydrophobicContact CZ2-CZ2 4.49Å; W220-W250 AromaticContact CZ2-NE1 3.16Å; W220-W250 AromaticContact NE1-CD1 3.73Å; W220-W250 AromaticContact NE1-CD2 3.32Å; W220-W250 VanDerWaalsContact NE1-CD2 3.32Å; W220-W250 AromaticContact NE1-CE2 3.06Å; W220-W250 AromaticContact NE1-CE3 3.84Å; W220-W250 AromaticContact NE1-CG 3.75Å; W220-W250 AromaticContact NE1-CH2 3.87Å; W220-W250 AromaticContact NE1-CZ2 3.36Å; W220-W250 AromaticContact NE1-NE1 3.35Å; M246-W250 PolarHBondContact O-N 3.32Å; M246-W250 VanDerWaalsContact O-N 3.07Å; W250-P253 WeakPolarHBondContact O-CD 3.43Å; W250-T254 PolarHBondContact O-N 2.88Å; W250-T254 PolarHBondContact O-OG1 3.41Å
251G94.1Very high90.2Very high17 Ų1752.7 Ų52.718%0.17527%0.274CS..Iπ-helixtrans-70.5-49.1-172.600000113.3F247 T254 V255F247-G251 WeakPolarHBondContact O-CA 3.44Å; F247-G251 PolarHBondContact O-N 3.38Å; G251-T254 WeakPolarHBondContact O-CB 3.24Å; G251-T254 PolarHBondContact O-N 2.81Å; G251-T254 VanDerWaalsContact O-N 3.1Å; G251-V255 PolarHBondContact O-N 3.45Å; G251-V255 VanDerWaalsContact O-N 3.1Å
252I92.4Very high90.8Very high46 Ų4653.4 Ų53.424%0.23628%0.279CS..Hα-helixtrans-58.8-46.6-179.6-62.8179.1000112.1F219 F247 I248 T254 V255 F256F219-I252 HydrophobicContact CD1-CB 4.28Å; F219-I252 HydrophobicContact CD1-CG2 4.16Å; F219-I252 HydrophobicContact CE1-CB 4Å; F219-I252 HydrophobicContact CE1-CD1 4.4Å; F219-I252 HydrophobicContact CE1-CG2 3.4Å; F219-I252 VanDerWaalsContact CE1-CG2 3.4Å; F219-I252 HydrophobicContact CE2-CG2 4.39Å; F219-I252 HydrophobicContact CZ-CB 4.47Å; F219-I252 HydrophobicContact CZ-CG2 3.54Å; F247-I252 HydrophobicContact CE1-CG1 4.29Å; F247-I252 PolarHBondContact O-N 3.33Å; F247-I252 VanDerWaalsContact O-N 3.13Å; I248-I252 HydrophobicContact CB-CD1 4.26Å; I248-I252 HydrophobicContact CG1-CD1 4.14Å; I248-I252 HydrophobicContact CG2-CD1 4.18Å; I252-T254 VanDerWaalsContact C-N 3.31Å; I252-T254 PolarHBondContact O-N 2.87Å; I252-V255 PolarHBondContact O-N 3.24Å; I252-V255 VanDerWaalsContact O-N 3.17Å; I252-F256 HydrophobicContact CG2-CD2 3.59Å; I252-F256 HydrophobicContact CG2-CE2 3.33Å; I252-F256 WeakPolarHBondContact O-CD2 3.28Å; I252-F256 PolarHBondContact O-N 2.94Å; I252-F256 VanDerWaalsContact O-N 3.15Å
253P93.9Very high91Very high0 Ų052.1 Ų52.10%028%0.276CS..Hα-helixtrans-55.5-40.9172.1-2732.6000114.2Y212 M215 A216 F219 G249 W250 V255 F256 V257Y212-P253 HydrophobicContact CD2-CB 4.14Å; Y212-P253 HydrophobicContact CE2-CB 3.95Å; M215-P253 HydrophobicContact CB-CB 4.29Å; M215-P253 HydrophobicContact CG-CB 3.97Å; M215-P253 HydrophobicContact CG-CG 4.35Å; M215-P253 HydrophobicContact SD-CB 4.18Å; A216-P253 HydrophobicContact CB-CB 4.28Å; A216-P253 HydrophobicContact CB-CG 4.22Å; F219-P253 HydrophobicContact CB-CG 3.85Å; F219-P253 HydrophobicContact CD2-CG 3.68Å; F219-P253 HydrophobicContact CE2-CG 4.4Å; F219-P253 HydrophobicContact CG-CG 3.81Å; G249-P253 WeakPolarHBondContact O-CG 3.29Å; W250-P253 WeakPolarHBondContact O-CD 3.43Å; P253-V255 VanDerWaalsContact C-N 3.31Å; P253-V255 PolarHBondContact O-N 2.92Å; P253-F256 PolarHBondContact O-N 3.34Å; P253-V257 WeakPolarHBondContact O-CB 3.39Å; P253-V257 VanDerWaalsContact O-CG2 3.29Å; P253-V257 WeakPolarHBondContact O-CG2 3.27Å; P253-V257 PolarHBondContact O-N 3.44Å
254T93.1Very high90.9Very high70 Ų7046.3 Ų46.343%0.42925%0.246SC..Hα-helixtrans-60.6-42.7177.3-55.30000111.2Y212 W250 G251 I252 S258Y212-T254 WeakPolarHBondContact CE2-OG1 3.25Å; W250-T254 PolarHBondContact O-N 2.88Å; W250-T254 PolarHBondContact O-OG1 3.41Å; G251-T254 WeakPolarHBondContact O-CB 3.24Å; G251-T254 PolarHBondContact O-N 2.81Å; G251-T254 VanDerWaalsContact O-N 3.1Å; I252-T254 VanDerWaalsContact C-N 3.31Å; I252-T254 PolarHBondContact O-N 2.87Å; T254-S258 VanDerWaalsContact O-CB 3.26Å; T254-S258 WeakPolarHBondContact O-CB 3.26Å; T254-S258 PolarHBondContact O-N 3.13Å; T254-S258 PolarHBondContact O-OG 3.42Å
255V93.9Very high90.6Very high79 Ų7946 Ų4648%0.47924%0.244SC..Hα-helixtrans-61.9-53.6179175.90000110.6G251 I252 P253 V257 S258 V259G251-V255 PolarHBondContact O-N 3.45Å; G251-V255 VanDerWaalsContact O-N 3.1Å; I252-V255 PolarHBondContact O-N 3.24Å; I252-V255 VanDerWaalsContact O-N 3.17Å; P253-V255 VanDerWaalsContact C-N 3.31Å; P253-V255 PolarHBondContact O-N 2.92Å; V255-V257 PolarHBondContact O-N 3.46Å; V255-S258 PolarHBondContact O-N 2.89Å; V255-S258 PolarHBondContact O-OG 2.96Å; V255-V259 WeakPolarHBondContact O-CG2 3.32Å; V255-V259 PolarHBondContact O-N 2.88Å
256F92.7Very high90.2Very high78 Ų7853.8 Ų53.834%0.34228%0.275SS..Hα-helixtrans-62.8-41.9-178.4-75.3-64000113.1M215 F219 I252 P253 S258 V259 W260 P288M215-F256 HydrophobicContact CE-CB 4.07Å; M215-F256 HydrophobicContact SD-CB 3.65Å; M215-F256 HydrophobicContact SD-CD2 4.36Å; M215-F256 HydrophobicContact SD-CG 4.4Å; F219-F256 HydrophobicContact CZ-CD2 4.32Å; F219-F256 HydrophobicContact CZ-CE2 4.16Å; I252-F256 HydrophobicContact CG2-CD2 3.59Å; I252-F256 HydrophobicContact CG2-CE2 3.33Å; I252-F256 WeakPolarHBondContact O-CD2 3.28Å; I252-F256 PolarHBondContact O-N 2.94Å; I252-F256 VanDerWaalsContact O-N 3.15Å; P253-F256 PolarHBondContact O-N 3.34Å; F256-S258 VanDerWaalsContact C-N 3.35Å; F256-V259 PolarHBondContact O-N 3.37Å; F256-W260 PolarHBondContact O-N 2.66Å; F256-P288 HydrophobicContact CB-CG 4.45Å; F256-P288 HydrophobicContact CD1-CB 4.17Å; F256-P288 HydrophobicContact CD1-CG 3.56Å; F256-P288 HydrophobicContact CD2-CB 4.1Å; F256-P288 HydrophobicContact CD2-CG 4.38Å; F256-P288 HydrophobicContact CE1-CB 4.29Å; F256-P288 HydrophobicContact CE1-CG 3.79Å; F256-P288 HydrophobicContact CE2-CB 4.2Å; F256-P288 HydrophobicContact CG-CB 4.08Å; F256-P288 HydrophobicContact CG-CG 3.9Å; F256-P288 HydrophobicContact CZ-CB 4.31Å; F256-P288 HydrophobicContact CZ-CG 4.28Å
257V91.6Very high89.2Confident8 Ų855.5 Ų55.55%0.04829%0.285CS..Hα-helixtrans-66.2-39.2177.1173.70000111.1V208 Y212 M215 P253 V255 V259 W260 V261 I285V208-V257 HydrophobicContact CG1-CG1 3.95Å; Y212-V257 HydrophobicContact CD2-CG2 4.39Å; M215-V257 HydrophobicContact CE-CG2 4.48Å; M215-V257 HydrophobicContact SD-CG2 4.18Å; P253-V257 WeakPolarHBondContact O-CB 3.39Å; P253-V257 VanDerWaalsContact O-CG2 3.29Å; P253-V257 WeakPolarHBondContact O-CG2 3.27Å; P253-V257 PolarHBondContact O-N 3.44Å; V255-V257 PolarHBondContact O-N 3.46Å; V257-V259 VanDerWaalsContact C-N 3.35Å; V257-V259 PolarHBondContact O-N 2.95Å; V257-W260 WeakPolarHBondContact O-CB 3.37Å; V257-W260 PolarHBondContact O-N 2.73Å; V257-V261 HydrophobicContact CG1-CG2 4.29Å; V257-V261 WeakPolarHBondContact O-CG2 3.26Å; V257-V261 PolarHBondContact O-N 3.17Å; V257-I285 HydrophobicContact CG2-CD1 4.25Å
258S91Very high87.9Confident57 Ų5751.8 Ų51.840%0.39927%0.269SS..Hα-helixtrans-62.5-41.9176.272.80000112.1T254 V255 F256 W260 V261 M262T254-S258 VanDerWaalsContact O-CB 3.26Å; T254-S258 WeakPolarHBondContact O-CB 3.26Å; T254-S258 PolarHBondContact O-N 3.13Å; T254-S258 PolarHBondContact O-OG 3.42Å; V255-S258 PolarHBondContact O-N 2.89Å; V255-S258 PolarHBondContact O-OG 2.96Å; F256-S258 VanDerWaalsContact C-N 3.35Å; S258-W260 VanDerWaalsContact C-N 3.33Å; S258-W260 PolarHBondContact O-N 3.05Å; S258-V261 PolarHBondContact O-N 3.3Å; S258-M262 VanDerWaalsContact O-CG 3.3Å; S258-M262 WeakPolarHBondContact O-CG 3.41Å; S258-M262 PolarHBondContact O-N 3.08Å
259V91.6Very high86.7Confident71 Ų7154.3 Ų54.343%0.4328%0.283SS..Hα-helixtrans-62.4-42.5174.9172.20000110.6V255 F256 V257 M262 T263 V284V255-V259 WeakPolarHBondContact O-CG2 3.32Å; V255-V259 PolarHBondContact O-N 2.88Å; F256-V259 PolarHBondContact O-N 3.37Å; V257-V259 VanDerWaalsContact C-N 3.35Å; V257-V259 PolarHBondContact O-N 2.95Å; V259-M262 PolarHBondContact O-N 3.02Å; V259-T263 WeakPolarHBondContact O-CB 3.49Å; V259-T263 PolarHBondContact O-N 3.26Å; V259-T263 PolarHBondContact O-OG1 3.2Å; V259-V284 HydrophobicContact CG1-CG1 4.24Å
260W89.3Confident85.3Confident0 Ų059.7 Ų59.70%032%0.316CS..Hα-helixtrans-61.8-47.8175.2177.479.3000112.1V208 H211 F256 V257 S258 M262 T263 R264 W273 P281 V284 I285V208-W260 HydrophobicContact CG2-CZ3 4.12Å; H211-W260 AromaticContact CD2-CH2 3.56Å; H211-W260 AromaticContact CD2-CZ2 3.98Å; H211-W260 AromaticContact NE2-CH2 3.96Å; F256-W260 PolarHBondContact O-N 2.66Å; V257-W260 WeakPolarHBondContact O-CB 3.37Å; V257-W260 PolarHBondContact O-N 2.73Å; S258-W260 VanDerWaalsContact C-N 3.33Å; S258-W260 PolarHBondContact O-N 3.05Å; W260-M262 VanDerWaalsContact C-N 3.34Å; W260-M262 PolarHBondContact O-N 3.48Å; W260-T263 WeakPolarHBondContact O-CB 3.26Å; W260-T263 PolarHBondContact O-N 3.41Å; W260-R264 HydrophobicContact CD2-CG 4.04Å; W260-R264 HydrophobicContact CE3-CG 4.49Å; W260-R264 HydrophobicContact CG-CG 4.49Å; W260-R264 HydrophobicContact CH2-CG 4.43Å; W260-R264 HydrophobicContact CZ2-CG 3.99Å; W260-R264 VanDerWaalsContact CZ2-NH1 3.29Å; W260-R264 VanDerWaalsContact O-CG 3.32Å; W260-R264 WeakPolarHBondContact O-CG 3.41Å; W260-R264 PolarHBondContact O-N 3.41Å; W260-W273 HydrophobicContact CH2-CB 4.46Å; W260-W273 HydrophobicContact CH2-CE3 4.19Å; W260-W273 HydrophobicContact CZ3-CE3 4.15Å; W260-P281 PolarHBondContact NE1-O 2.68Å; W260-P281 VanDerWaalsContact NE1-O 3.08Å; W260-V284 HydrophobicContact CB-CG1 4.05Å; W260-I285 HydrophobicContact CB-CD1 4.44Å; W260-I285 HydrophobicContact CG-CB 4.08Å; W260-I285 HydrophobicContact CG-CD1 4.28Å
261V88.9Confident83.9Confident25 Ų2558.5 Ų58.515%0.15232%0.318CS..Hα-helixtrans-58.2-46.7177.5169.80000110.9V208 V257 S258 R264 I265 W273V208-V261 HydrophobicContact CG1-CG2 3.92Å; V208-V261 HydrophobicContact CG2-CG2 3.75Å; V257-V261 HydrophobicContact CG1-CG2 4.29Å; V257-V261 WeakPolarHBondContact O-CG2 3.26Å; V257-V261 PolarHBondContact O-N 3.17Å; S258-V261 PolarHBondContact O-N 3.3Å; V261-R264 PolarHBondContact O-N 2.93Å; V261-I265 HydrophobicContact CG1-CD1 3.75Å; V261-I265 HydrophobicContact CG1-CG1 4.45Å; V261-I265 WeakPolarHBondContact O-CG1 3.37Å; V261-I265 PolarHBondContact O-N 2.88Å; V261-W273 HydrophobicContact CG1-CH2 4.07Å; V261-W273 HydrophobicContact CG1-CZ3 4.24Å; V261-W273 HydrophobicContact CG2-CZ3 4.35Å
262M88Confident82.6Confident103 Ų10358.5 Ų58.551%0.50732%0.315SS..Hα-helixtrans-60.3-48.7176.7-68.9-61.2166.800111S258 V259 W260 R264 I265 Y266S258-M262 VanDerWaalsContact O-CG 3.3Å; S258-M262 WeakPolarHBondContact O-CG 3.41Å; S258-M262 PolarHBondContact O-N 3.08Å; V259-M262 PolarHBondContact O-N 3.02Å; W260-M262 VanDerWaalsContact C-N 3.34Å; W260-M262 PolarHBondContact O-N 3.48Å; M262-R264 PolarHBondContact O-N 3.17Å; M262-I265 PolarHBondContact O-N 3.36Å; M262-I265 VanDerWaalsContact O-N 3.14Å; M262-Y266 HydrophobicContact CB-CD2 4.48Å; M262-Y266 HydrophobicContact CB-CE2 4.42Å; M262-Y266 WeakPolarHBondContact O-CD2 3.14Å; M262-Y266 PolarHBondContact O-N 2.78Å
263T85Confident81.5Confident32 Ų3257 Ų5720%0.19631%0.307CS..Hα-helixtrans-55.4-41.1177.1-56.40000111.5V259 W260 Y266 L267 P281V259-T263 WeakPolarHBondContact O-CB 3.49Å; V259-T263 PolarHBondContact O-N 3.26Å; V259-T263 PolarHBondContact O-OG1 3.2Å; W260-T263 WeakPolarHBondContact O-CB 3.26Å; W260-T263 PolarHBondContact O-N 3.41Å; T263-Y266 PolarHBondContact O-N 3.3Å; T263-L267 HydrophobicContact CG2-CD1 3.59Å; T263-L267 WeakPolarHBondContact O-CB 3.05Å; T263-L267 PolarHBondContact O-N 3.48Å; T263-P281 HydrophobicContact CG2-CG 4.48Å
264R82.2Confident79.8Confident6 Ų659.7 Ų59.72%0.02332%0.319CS..Hα-helixtrans-66-44.8176.9-70.3-63.3-67-108.719.7112.8W260 V261 M262 Y266 E268 W273 R275 N276 P281W260-R264 HydrophobicContact CD2-CG 4.04Å; W260-R264 HydrophobicContact CE3-CG 4.49Å; W260-R264 HydrophobicContact CG-CG 4.49Å; W260-R264 HydrophobicContact CH2-CG 4.43Å; W260-R264 HydrophobicContact CZ2-CG 3.99Å; W260-R264 VanDerWaalsContact CZ2-NH1 3.29Å; W260-R264 VanDerWaalsContact O-CG 3.32Å; W260-R264 WeakPolarHBondContact O-CG 3.41Å; W260-R264 PolarHBondContact O-N 3.41Å; V261-R264 PolarHBondContact O-N 2.93Å; M262-R264 PolarHBondContact O-N 3.17Å; R264-Y266 VanDerWaalsContact C-N 3.28Å; R264-Y266 PolarHBondContact O-N 3.37Å; R264-E268 CarbonylContact O-C 3.39Å; R264-E268 PolarHBondContact O-N 2.84Å; R264-E268 VanDerWaalsContact O-O 3.09Å; R264-W273 HydrophobicContact CB-CD2 4.4Å; R264-W273 HydrophobicContact CB-CZ2 4.32Å; R264-W273 PolarHBondContact NH1-O 2.94Å; R264-R275 PolarHBondContact NH2-O 3.28Å; R264-N276 PolarHBondContact NH1-OD1 3.13Å; R264-P281 HydrophobicContact CG-CB 4.34Å
265I83.1Confident78Confident81 Ų8161.9 Ų61.942%0.41532%0.32SS..Hα-helixtrans-62.1-37.9178.6-67.4166000111V261 M262 W273V261-I265 HydrophobicContact CG1-CD1 3.75Å; V261-I265 HydrophobicContact CG1-CG1 4.45Å; V261-I265 WeakPolarHBondContact O-CG1 3.37Å; V261-I265 PolarHBondContact O-N 2.88Å; M262-I265 PolarHBondContact O-N 3.36Å; M262-I265 VanDerWaalsContact O-N 3.14Å; I265-W273 HydrophobicContact CD1-CH2 4.4Å; I265-W273 HydrophobicContact CG1-CH2 3.96Å; I265-W273 HydrophobicContact CG1-CZ2 3.87Å
266Y81.4Confident76.3Confident190 Ų19060.7 Ų60.775%0.74531%0.311SS*.Hα-helixtrans-79.5-36.2-178.5-75.1-68000114.4M262 T263 R264M262-Y266 HydrophobicContact CB-CD2 4.48Å; M262-Y266 HydrophobicContact CB-CE2 4.42Å; M262-Y266 WeakPolarHBondContact O-CD2 3.14Å; M262-Y266 PolarHBondContact O-N 2.78Å; T263-Y266 PolarHBondContact O-N 3.3Å; R264-Y266 VanDerWaalsContact C-N 3.28Å; R264-Y266 PolarHBondContact O-N 3.37Å
267L70.3Confident74.7Confident93 Ų9362.1 Ų62.149%0.48732%0.322SS..Hα-helixtrans-88.2-47.6-178-92.3144000112.6T263 I280 P281T263-L267 HydrophobicContact CG2-CD1 3.59Å; T263-L267 WeakPolarHBondContact O-CB 3.05Å; T263-L267 PolarHBondContact O-N 3.48Å; L267-I280 HydrophobicContact CD1-CG2 4.48Å; L267-P281 HydrophobicContact CD1-CG 4.23Å
268E64.9Low73.5Confident51 Ų5164.7 Ų64.724%0.23834%0.335CS..  trans-154.497-171.4-69.6-176145.400112.8R264 T270 N278R264-E268 CarbonylContact O-C 3.39Å; R264-E268 PolarHBondContact O-N 2.84Å; R264-E268 VanDerWaalsContact O-O 3.09Å; E268-T270 PolarHBondContact O-N 2.98Å; E268-N278 PolarHBondContact OE1-ND2 2.91Å; E268-N278 PolarHBondContact OE2-ND2 3.19Å
269D65.8Low72.6Confident86 Ų8666.6 Ų66.646%0.4635%0.346SS..  trans-94.231.1174.1-162.239.4000114.5K204 W273K204-D269 IonicContact NZ-OD1 3Å; K204-D269 PolarHBondContact NZ-OD1 3.26Å; K204-D269 IonicContact NZ-OD2 3.84Å; K204-D269 PolarHBondContact NZ-OD2 3.48Å; D269-W273 PolarHBondContact OD1-NE1 3.13Å
270T62.7Low71.7Confident113 Ų11368.3 Ų68.369%0.69335%0.352SS*.  trans-90.7123.3-176.852.70000112.6E268E268-T270 PolarHBondContact O-N 2.98Å
271G65.8Low71Confident22 Ų2268.5 Ų68.523%0.22735%0.353CS..SBendtrans69.6-145.6170.700000114.6L200 K204L200-G271 WeakPolarHBondContact CD1-O 3.45Å; K204-G271 WeakPolarHBondContact CE-O 3.09Å
272C66.4Low70.4Confident17 Ų1770.2 Ų70.212%0.11536%0.361CS..  trans-98.6133.8173.2-169.70000107.9C203 L207 E274C203-C272 VanDerWaalsContact C-SG 3.58Å; C203-C272 HydrophobicContact CB-CB 4.01Å; C203-C272 WeakPolarHBondContact CB-SG 3.44Å; C203-C272 WeakPolarHBondContact SG-CB 3.38Å; C203-C272 CovalentContact SG-SG 2.03Å; C203-C272 PolarHBondContact SG-SG 2.03Å; L207-C272 WeakPolarHBondContact CD1-SG 3.22Å; C272-E274 PolarHBondContact O-N 2.89Å
273W69Low70Confident15 Ų1574.9 Ų74.96%0.05737%0.374CS..THydrogen-bonded Turntrans-69.131.9-170.4-63.9-26.3000115.3K204 L207 V208 W260 V261 R264 I265 D269K204-W273 HydrophobicContact CB-CD2 4.48Å; K204-W273 HydrophobicContact CB-CE3 4.32Å; K204-W273 HydrophobicContact CB-CZ3 4.48Å; K204-W273 HydrophobicContact CD-CD2 4.46Å; K204-W273 HydrophobicContact CD-CZ2 4.13Å; K204-W273 HydrophobicContact CG-CD2 4.15Å; K204-W273 HydrophobicContact CG-CE3 4.48Å; K204-W273 HydrophobicContact CG-CG 4.43Å; L207-W273 HydrophobicContact CD1-CB 4.11Å; V208-W273 HydrophobicContact CG2-CE3 4.01Å; V208-W273 HydrophobicContact CG2-CZ3 3.6Å; W260-W273 HydrophobicContact CH2-CB 4.46Å; W260-W273 HydrophobicContact CH2-CE3 4.19Å; W260-W273 HydrophobicContact CZ3-CE3 4.15Å; V261-W273 HydrophobicContact CG1-CH2 4.07Å; V261-W273 HydrophobicContact CG1-CZ3 4.24Å; V261-W273 HydrophobicContact CG2-CZ3 4.35Å; R264-W273 HydrophobicContact CB-CD2 4.4Å; R264-W273 HydrophobicContact CB-CZ2 4.32Å; R264-W273 PolarHBondContact NH1-O 2.94Å; I265-W273 HydrophobicContact CD1-CH2 4.4Å; I265-W273 HydrophobicContact CG1-CH2 3.96Å; I265-W273 HydrophobicContact CG1-CZ2 3.87Å; D269-W273 PolarHBondContact OD1-NE1 3.13Å
274E59.3Low69.9Low56 Ų5674.9 Ų74.926%0.26237%0.373SS..THydrogen-bonded Turntrans-81.7-27.3177.8-170.3162.9-150.600111.7K183 L207 C272K183-E274 IonicContact NZ-OE1 3.74Å; L207-E274 HydrophobicContact CD1-CB 4.33Å; C272-E274 PolarHBondContact O-N 2.89Å
275R55.1Low69.8Low116 Ų11674.7 Ų74.744%0.43837%0.373SS..  trans-92.2132.3176.4-155.6173.6-161.9153.514.2110.8D17 R264 D277D17-R275 IonicContact OD1-CZ 3.51Å; D17-R275 IonicContact OD1-NH2 3.82Å; D17-R275 PolarHBondContact OD1-NH2 2.94Å; R264-R275 PolarHBondContact NH2-O 3.28Å; R275-D277 VanDerWaalsContact CD-OD1 3.26Å; R275-D277 WeakPolarHBondContact CD-OD1 3.09Å; R275-D277 VanDerWaalsContact CD-OD2 3.27Å; R275-D277 WeakPolarHBondContact CD-OD2 3.43Å; R275-D277 VanDerWaalsContact CG-OD1 3.26Å; R275-D277 WeakPolarHBondContact CG-OD1 3.31Å; R275-D277 IonicContact NE-OD1 3.09Å; R275-D277 PolarHBondContact NE-OD1 3.36Å; R275-D277 IonicContact NE-OD2 3.73Å
276N59.3Low69.6Low55 Ų5573.9 Ų73.929%0.29437%0.369SS..  trans-120.273.6176.9-69.3-14.4000108.7R264 N278 N282R264-N276 PolarHBondContact NH1-OD1 3.13Å; N276-N278 VanDerWaalsContact C-N 3.26Å; N276-N278 PolarHBondContact O-N 3.47Å; N276-N282 HydrophobicContact CB-CB 4.16Å; N276-N282 PolarHBondContact ND2-OD1 2.84Å
277D58.8Low69.7Low108 Ų10865.6 Ų65.658%0.57834%0.342SS*.  trans-70.9-26.6-179.7-62.7-41.8000111.3R275R275-D277 VanDerWaalsContact CD-OD1 3.26Å; R275-D277 WeakPolarHBondContact CD-OD1 3.09Å; R275-D277 VanDerWaalsContact CD-OD2 3.27Å; R275-D277 WeakPolarHBondContact CD-OD2 3.43Å; R275-D277 VanDerWaalsContact CG-OD1 3.26Å; R275-D277 WeakPolarHBondContact CG-OD1 3.31Å; R275-D277 IonicContact NE-OD1 3.09Å; R275-D277 PolarHBondContact NE-OD1 3.36Å; R275-D277 IonicContact NE-OD2 3.73Å
278N65.3Low70.4Confident61 Ų6162.1 Ų62.133%0.32633%0.325SS..SBendtrans-91.8139.1172.9-75.8-51.3000113.3E268 N276 I280 P281E268-N278 PolarHBondContact OE1-ND2 2.91Å; E268-N278 PolarHBondContact OE2-ND2 3.19Å; N276-N278 VanDerWaalsContact C-N 3.26Å; N276-N278 PolarHBondContact O-N 3.47Å; N278-I280 VanDerWaalsContact C-N 3.32Å; N278-I280 PolarHBondContact O-N 2.84Å; N278-P281 HydrophobicContact CB-CG 4.36Å; N278-P281 WeakPolarHBondContact O-CD 3.22Å
279P72Confident71.3Confident97 Ų9760.7 Ų60.763%0.6332%0.319SS*.Hα-helixtrans-70.4-26.4178.427.5-34000113.1N282 W283P279-N282 PolarHBondContact O-N 3.32Å; P279-W283 WeakPolarHBondContact O-CB 3.43Å; P279-W283 PolarHBondContact O-N 2.97Å
280I73.9Confident72.1Confident108 Ų10860.6 Ų60.655%0.55432%0.321SS*.Hα-helixtrans-66.8-55.7-172.6-55.7170.8000111.7L267 N278 N282 W283 V284L267-I280 HydrophobicContact CD1-CG2 4.48Å; N278-I280 VanDerWaalsContact C-N 3.32Å; N278-I280 PolarHBondContact O-N 2.84Å; I280-N282 PolarHBondContact O-N 3.37Å; I280-W283 PolarHBondContact O-N 3.31Å; I280-V284 WeakPolarHBondContact O-CG2 3.5Å; I280-V284 PolarHBondContact O-N 3.48Å; I280-V284 VanDerWaalsContact O-N 3.16Å
281P73.1Confident73.2Confident3 Ų359.5 Ų59.52%0.01931%0.314CS..Hα-helixtrans-65.6-28.1-179.8-17.631.8000113W260 T263 R264 L267 N278W260-P281 PolarHBondContact NE1-O 2.68Å; W260-P281 VanDerWaalsContact NE1-O 3.08Å; T263-P281 HydrophobicContact CG2-CG 4.48Å; R264-P281 HydrophobicContact CG-CB 4.34Å; L267-P281 HydrophobicContact CD1-CG 4.23Å; N278-P281 HydrophobicContact CB-CG 4.36Å; N278-P281 WeakPolarHBondContact O-CD 3.22Å
282N76.4Confident74.1Confident61 Ų6158.7 Ų58.733%0.32631%0.305SS..Hα-helixtrans-66.8-42.7175.6-168.251.2000111.7N276 P279 I280 I285 N286N276-N282 HydrophobicContact CB-CB 4.16Å; N276-N282 PolarHBondContact ND2-OD1 2.84Å; P279-N282 PolarHBondContact O-N 3.32Å; I280-N282 PolarHBondContact O-N 3.37Å; N282-I285 VanDerWaalsContact O-CG2 3.3Å; N282-I285 WeakPolarHBondContact O-CG2 3.22Å; N282-N286 PolarHBondContact ND2-ND2 3.02Å; N282-N286 WeakPolarHBondContact O-CB 3.38Å; N282-N286 PolarHBondContact O-N 3.34Å; N282-N286 VanDerWaalsContact O-N 3.09Å; N282-N286 PolarHBondContact O-ND2 2.88Å; N282-N286 VanDerWaalsContact O-ND2 3.15Å; N282-N286 PolarHBondContact OD1-ND2 3.33Å
283W79.8Confident74.8Confident201 Ų20158.5 Ų58.576%0.76130%0.303SS*.Hα-helixtrans-70.1-35179.6-167.680.2000112.6P279 I280 I285 N286 G287P279-W283 WeakPolarHBondContact O-CB 3.43Å; P279-W283 PolarHBondContact O-N 2.97Å; I280-W283 PolarHBondContact O-N 3.31Å; W283-I285 VanDerWaalsContact C-N 3.28Å; W283-I285 PolarHBondContact O-N 3.47Å; W283-N286 PolarHBondContact O-N 3.27Å; W283-G287 WeakPolarHBondContact O-CA 3.44Å; W283-G287 PolarHBondContact O-N 3Å
284V83.4Confident75.5Confident32 Ų3262.5 Ų62.519%0.19432%0.324CS..Hα-helixtrans-60-36.5178.1172.70000112.4V259 W260 I280 P288V259-V284 HydrophobicContact CG1-CG1 4.24Å; W260-V284 HydrophobicContact CB-CG1 4.05Å; I280-V284 WeakPolarHBondContact O-CG2 3.5Å; I280-V284 PolarHBondContact O-N 3.48Å; I280-V284 VanDerWaalsContact O-N 3.16Å; V284-P288 WeakPolarHBondContact O-CD 3.29Å; V284-P288 WeakPolarHBondContact O-CG 3.35Å
285I81.1Confident76.8Confident2 Ų262.6 Ų62.61%0.0133%0.329CS..Hα-helixtrans-86.4-41.4178.3-168.971.2000112.6H211 M215 V257 W260 N282 W283 I289H211-I285 HydrophobicContact CB-CD1 4.02Å; H211-I285 HydrophobicContact CB-CG1 4.4Å; M215-I285 HydrophobicContact CE-CD1 3.56Å; M215-I285 HydrophobicContact CE-CG1 4.39Å; V257-I285 HydrophobicContact CG2-CD1 4.25Å; W260-I285 HydrophobicContact CB-CD1 4.44Å; W260-I285 HydrophobicContact CG-CB 4.08Å; W260-I285 HydrophobicContact CG-CD1 4.28Å; N282-I285 VanDerWaalsContact O-CG2 3.3Å; N282-I285 WeakPolarHBondContact O-CG2 3.22Å; W283-I285 VanDerWaalsContact C-N 3.28Å; W283-I285 PolarHBondContact O-N 3.47Å; I285-I289 WeakPolarHBondContact O-CD1 3.24Å; I285-I289 WeakPolarHBondContact O-CG1 3.34Å
286N78.9Confident78.2Confident64 Ų6457.1 Ų57.134%0.34231%0.308SS..Hα-helixtrans-79-32.2-174.9-68.5-32.9000112.9N282 W283 I289 V290N282-N286 PolarHBondContact ND2-ND2 3.02Å; N282-N286 WeakPolarHBondContact O-CB 3.38Å; N282-N286 PolarHBondContact O-N 3.34Å; N282-N286 VanDerWaalsContact O-N 3.09Å; N282-N286 PolarHBondContact O-ND2 2.88Å; N282-N286 VanDerWaalsContact O-ND2 3.15Å; N282-N286 PolarHBondContact OD1-ND2 3.33Å; W283-N286 PolarHBondContact O-N 3.27Å; N286-I289 WeakPolarHBondContact O-CB 3.24Å; N286-I289 PolarHBondContact O-N 3.08Å; N286-V290 WeakPolarHBondContact O-CG2 3.33Å; N286-V290 PolarHBondContact O-N 2.93Å
287G82.6Confident79.3Confident16 Ų1657.6 Ų57.617%0.16531%0.308CS..Hα-helixtrans-54.7-55.8-18000000113W283 I289 V290 V291W283-G287 WeakPolarHBondContact O-CA 3.44Å; W283-G287 PolarHBondContact O-N 3Å; G287-I289 VanDerWaalsContact C-N 3.26Å; G287-I289 PolarHBondContact O-N 3.47Å; G287-V290 PolarHBondContact O-N 3.3Å; G287-V291 WeakPolarHBondContact O-CG2 3.36Å; G287-V291 PolarHBondContact O-N 2.85Å
288P85.8Confident80.5Confident20 Ų2056.6 Ų56.613%0.1330%0.301CS..Hα-helixtrans-58.8-34.8177.3-25.634.6000113.7M215 F256 V284 S292M215-P288 HydrophobicContact CE-CB 4.24Å; F256-P288 HydrophobicContact CB-CG 4.45Å; F256-P288 HydrophobicContact CD1-CB 4.17Å; F256-P288 HydrophobicContact CD1-CG 3.56Å; F256-P288 HydrophobicContact CD2-CB 4.1Å; F256-P288 HydrophobicContact CD2-CG 4.38Å; F256-P288 HydrophobicContact CE1-CB 4.29Å; F256-P288 HydrophobicContact CE1-CG 3.79Å; F256-P288 HydrophobicContact CE2-CB 4.2Å; F256-P288 HydrophobicContact CG-CB 4.08Å; F256-P288 HydrophobicContact CG-CG 3.9Å; F256-P288 HydrophobicContact CZ-CB 4.31Å; F256-P288 HydrophobicContact CZ-CG 4.28Å; V284-P288 WeakPolarHBondContact O-CD 3.29Å; V284-P288 WeakPolarHBondContact O-CG 3.35Å; P288-S292 WeakPolarHBondContact O-CB 3.1Å; P288-S292 PolarHBondContact O-N 3.47Å
289I82.7Confident81.3Confident21 Ų2154.3 Ų54.311%0.10829%0.289CS..Hα-helixtrans-66-49.1177.5-62.9171.3000110M215 F218 I285 N286 G287 V291 S292 I293M215-I289 HydrophobicContact CE-CD1 4.37Å; M215-I289 HydrophobicContact CE-CG1 4Å; F218-I289 HydrophobicContact CD2-CG2 3.87Å; F218-I289 HydrophobicContact CE2-CG2 3.78Å; F218-I289 HydrophobicContact CZ-CG2 4.4Å; I285-I289 WeakPolarHBondContact O-CD1 3.24Å; I285-I289 WeakPolarHBondContact O-CG1 3.34Å; N286-I289 WeakPolarHBondContact O-CB 3.24Å; N286-I289 PolarHBondContact O-N 3.08Å; G287-I289 VanDerWaalsContact C-N 3.26Å; G287-I289 PolarHBondContact O-N 3.47Å; I289-V291 VanDerWaalsContact C-N 3.34Å; I289-V291 PolarHBondContact O-N 2.77Å; I289-S292 PolarHBondContact O-N 3.39Å; I289-I293 HydrophobicContact CG2-CD1 3.83Å; I289-I293 VanDerWaalsContact O-CG1 3.29Å; I289-I293 WeakPolarHBondContact O-CG1 3.33Å; I289-I293 PolarHBondContact O-N 2.79Å
290V82Confident81.7Confident85 Ų8550.6 Ų50.652%0.51526%0.263SS..Hα-helixtrans-61-43.6178.2173.40000111.2N286 G287 S292 I293 L294N286-V290 WeakPolarHBondContact O-CG2 3.33Å; N286-V290 PolarHBondContact O-N 2.93Å; G287-V290 PolarHBondContact O-N 3.3Å; V290-S292 PolarHBondContact O-N 2.91Å; V290-I293 PolarHBondContact O-N 3.01Å; V290-L294 PolarHBondContact O-N 3.49Å
291V85.9Confident82Confident90 Ų9049.3 Ų49.355%0.54526%0.256SS..Hα-helixtrans-60.9-45.1175.6172.10000110.8G287 I289 I293 L294 V295G287-V291 WeakPolarHBondContact O-CG2 3.36Å; G287-V291 PolarHBondContact O-N 2.85Å; I289-V291 VanDerWaalsContact C-N 3.34Å; I289-V291 PolarHBondContact O-N 2.77Å; V291-I293 VanDerWaalsContact C-N 3.32Å; V291-I293 PolarHBondContact O-N 2.99Å; V291-L294 PolarHBondContact O-N 2.87Å; V291-V295 HydrophobicContact CG1-CG2 4.45Å; V291-V295 WeakPolarHBondContact O-CG2 3.33Å; V291-V295 PolarHBondContact O-N 3.03Å
292S84.8Confident82.5Confident4 Ų451.9 Ų51.93%0.02827%0.27CS..Hα-helixtrans-61.2-40.3176.9-175.10000112.1P288 I289 V290 V295 N296P288-S292 WeakPolarHBondContact O-CB 3.1Å; P288-S292 PolarHBondContact O-N 3.47Å; I289-S292 PolarHBondContact O-N 3.39Å; V290-S292 PolarHBondContact O-N 2.91Å; S292-V295 PolarHBondContact O-N 3.26Å; S292-N296 WeakPolarHBondContact O-CB 3.36Å; S292-N296 PolarHBondContact O-N 3.44Å; S292-N296 PolarHBondContact O-ND2 3.45Å
293I81.8Confident82.7Confident14 Ų1449.4 Ų49.47%0.07226%0.256CS..Hα-helixtrans-64-43.9176.7-68.3164.6000110.5F218 I289 V290 V291 N296 F297 Y342 V343F218-I293 HydrophobicContact CD1-CG1 4Å; F218-I293 HydrophobicContact CE1-CD1 4.02Å; F218-I293 HydrophobicContact CE1-CG1 3.86Å; F218-I293 HydrophobicContact CZ-CD1 4.14Å; F218-I293 HydrophobicContact CZ-CG1 4.46Å; I289-I293 HydrophobicContact CG2-CD1 3.83Å; I289-I293 VanDerWaalsContact O-CG1 3.29Å; I289-I293 WeakPolarHBondContact O-CG1 3.33Å; I289-I293 PolarHBondContact O-N 2.79Å; V290-I293 PolarHBondContact O-N 3.01Å; V291-I293 VanDerWaalsContact C-N 3.32Å; V291-I293 PolarHBondContact O-N 2.99Å; I293-N296 WeakPolarHBondContact O-CB 3.2Å; I293-N296 PolarHBondContact O-N 3.33Å; I293-F297 PolarHBondContact O-N 3.01Å; I293-Y342 HydrophobicContact CD1-CD2 4.33Å; I293-Y342 HydrophobicContact CD1-CG 4.22Å; I293-V343 HydrophobicContact CG2-CG2 3.49Å; I293-V343 VanDerWaalsContact CG2-CG2 3.49Å
294L83.9Confident82.6Confident98 Ų9842.1 Ų42.151%0.51323%0.232SC..Hα-helixtrans-62.1-44.8177.6-179.463.1000111.9V290 V291 F297 I298V290-L294 PolarHBondContact O-N 3.49Å; V291-L294 PolarHBondContact O-N 2.87Å; L294-F297 WeakPolarHBondContact O-CB 3.43Å; L294-F297 PolarHBondContact O-N 3.4Å; L294-I298 HydrophobicContact CG-CD1 4.26Å; L294-I298 WeakPolarHBondContact O-CG1 3.05Å; L294-I298 PolarHBondContact O-N 3.47Å
295V86.6Confident82.6Confident59 Ų5948.2 Ų48.236%0.35825%0.251SS..Hα-helixtrans-64.8-41.8177.2178.30000110.9L222 V291 S292 F297 I298 Q299L222-V295 HydrophobicContact CD1-CB 4.21Å; L222-V295 HydrophobicContact CD1-CG1 3.54Å; V291-V295 HydrophobicContact CG1-CG2 4.45Å; V291-V295 WeakPolarHBondContact O-CG2 3.33Å; V291-V295 PolarHBondContact O-N 3.03Å; S292-V295 PolarHBondContact O-N 3.26Å; V295-F297 VanDerWaalsContact C-N 3.28Å; V295-F297 PolarHBondContact O-N 2.89Å; V295-I298 PolarHBondContact O-N 3.41Å; V295-Q299 WeakPolarHBondContact O-CB 3.32Å; V295-Q299 PolarHBondContact O-N 2.92Å
296N83.6Confident82.5Confident0 Ų049.5 Ų49.50%026%0.258CS..Hα-helixtrans-57.7-42173.8-77.5-21.5000112F218 L222 S292 I293 Q299 F300F218-N296 PolarHBondContact O-ND2 3.08Å; L222-N296 WeakPolarHBondContact CA-OD1 3.29Å; L222-N296 WeakPolarHBondContact CB-OD1 3.37Å; L222-N296 WeakPolarHBondContact CD1-OD1 3.4Å; L222-N296 PolarHBondContact N-OD1 3.02Å; S292-N296 WeakPolarHBondContact O-CB 3.36Å; S292-N296 PolarHBondContact O-N 3.44Å; S292-N296 PolarHBondContact O-ND2 3.45Å; I293-N296 WeakPolarHBondContact O-CB 3.2Å; I293-N296 PolarHBondContact O-N 3.33Å; N296-Q299 PolarHBondContact O-N 3.17Å; N296-F300 WeakPolarHBondContact O-CB 3.43Å; N296-F300 PolarHBondContact O-N 2.98Å
297F82.2Confident82.3Confident66 Ų6647.9 Ų47.929%0.28925%0.249SC..Hα-helixtrans-64.1-47.1176.7-178.5-103000112.2I293 L294 V295 Q299 F300 I301 I340I293-F297 PolarHBondContact O-N 3.01Å; L294-F297 WeakPolarHBondContact O-CB 3.43Å; L294-F297 PolarHBondContact O-N 3.4Å; V295-F297 VanDerWaalsContact C-N 3.28Å; V295-F297 PolarHBondContact O-N 2.89Å; F297-Q299 VanDerWaalsContact C-N 3.28Å; F297-Q299 PolarHBondContact O-N 3.27Å; F297-F300 WeakPolarHBondContact O-CB 3.45Å; F297-F300 PolarHBondContact O-N 2.97Å; F297-I301 HydrophobicContact CD1-CG1 4.45Å; F297-I301 HydrophobicContact CE1-CD1 4.47Å; F297-I301 HydrophobicContact CE1-CG1 4.06Å; F297-I301 HydrophobicContact CE2-CD1 4.32Å; F297-I301 HydrophobicContact CZ-CD1 4.01Å; F297-I301 HydrophobicContact CZ-CG1 4.09Å; F297-I301 WeakPolarHBondContact O-CG1 3.19Å; F297-I301 PolarHBondContact O-N 3.33Å; F297-I340 HydrophobicContact CD2-CD1 4.41Å; F297-I340 HydrophobicContact CD2-CG1 4.15Å; F297-I340 HydrophobicContact CD2-CG2 4.39Å; F297-I340 HydrophobicContact CE2-CG2 4.25Å
298I84.6Confident82Confident86 Ų8650.6 Ų50.644%0.44126%0.263SS..Hα-helixtrans-59-44.2176-66.1165.4000110.3L294 V295 F300 I301 N302L294-I298 HydrophobicContact CG-CD1 4.26Å; L294-I298 WeakPolarHBondContact O-CG1 3.05Å; L294-I298 PolarHBondContact O-N 3.47Å; V295-I298 PolarHBondContact O-N 3.41Å; I298-F300 VanDerWaalsContact C-N 3.31Å; I298-F300 PolarHBondContact O-N 2.9Å; I298-I301 PolarHBondContact O-N 3.29Å; I298-N302 PolarHBondContact O-N 3.41Å; I298-N302 PolarHBondContact O-ND2 3.22Å
299Q81.8Confident81.5Confident14 Ų1454.5 Ų54.57%0.06528%0.279CS..Hα-helixtrans-62.1-41.3179.3-172.554.385.400111.8H229 V295 N296 F297 N302 I303H229-Q299 VanDerWaalsContact CB-CD 3.43Å; H229-Q299 HydrophobicContact CB-CG 4.48Å; H229-Q299 PolarHBondContact CD2-NE2 2.83Å; V295-Q299 WeakPolarHBondContact O-CB 3.32Å; V295-Q299 PolarHBondContact O-N 2.92Å; N296-Q299 PolarHBondContact O-N 3.17Å; F297-Q299 VanDerWaalsContact C-N 3.28Å; F297-Q299 PolarHBondContact O-N 3.27Å; Q299-N302 PolarHBondContact O-N 3.37Å; Q299-I303 HydrophobicContact CG-CD1 3.97Å; Q299-I303 WeakPolarHBondContact O-CD1 3.41Å; Q299-I303 VanDerWaalsContact O-CG1 3.28Å; Q299-I303 WeakPolarHBondContact O-CG1 3.24Å; Q299-I303 PolarHBondContact O-N 3.49Å
300F80Confident80.9Confident18 Ų1860.1 Ų60.18%0.07930%0.303CS..Hα-helixtrans-59.4-49.1174.5170.8-98.4000111.9N296 F297 I298 N302 I303 I304 I335 F338 I340N296-F300 WeakPolarHBondContact O-CB 3.43Å; N296-F300 PolarHBondContact O-N 2.98Å; F297-F300 WeakPolarHBondContact O-CB 3.45Å; F297-F300 PolarHBondContact O-N 2.97Å; I298-F300 VanDerWaalsContact C-N 3.31Å; I298-F300 PolarHBondContact O-N 2.9Å; F300-N302 VanDerWaalsContact C-N 3.28Å; F300-N302 PolarHBondContact O-N 2.81Å; F300-I303 PolarHBondContact O-N 2.83Å; F300-I304 HydrophobicContact CD1-CG1 4.38Å; F300-I304 HydrophobicContact CD2-CG1 4.18Å; F300-I304 HydrophobicContact CE1-CG1 3.86Å; F300-I304 HydrophobicContact CE2-CD1 3.82Å; F300-I304 HydrophobicContact CE2-CG1 3.64Å; F300-I304 HydrophobicContact CZ-CD1 3.84Å; F300-I304 HydrophobicContact CZ-CG1 3.43Å; F300-I304 VanDerWaalsContact CZ-CG1 3.43Å; F300-I304 WeakPolarHBondContact O-CG1 3.03Å; F300-I304 PolarHBondContact O-N 2.83Å; F300-I335 HydrophobicContact CE2-CG1 4.02Å; F300-I335 HydrophobicContact CZ-CD1 4.31Å; F300-I335 HydrophobicContact CZ-CG1 3.62Å; F300-F338 HydrophobicContact CB-CD2 4.3Å; F300-F338 HydrophobicContact CB-CG 4.42Å; F300-F338 AromaticContact CD2-CD2 3.51Å; F300-F338 HydrophobicContact CD2-CD2 3.51Å; F300-F338 AromaticContact CD2-CE2 3.84Å; F300-F338 HydrophobicContact CD2-CE2 3.84Å; F300-F338 HydrophobicContact CD2-CG 4.38Å; F300-F338 HydrophobicContact CE2-CD2 4.27Å; F300-F338 HydrophobicContact CG-CD2 4.24Å; F300-I340 HydrophobicContact CD1-CD1 3.53Å; F300-I340 HydrophobicContact CD2-CD1 4.29Å; F300-I340 HydrophobicContact CE1-CD1 3.59Å; F300-I340 HydrophobicContact CE2-CD1 4.34Å; F300-I340 HydrophobicContact CG-CD1 3.91Å; F300-I340 HydrophobicContact CZ-CD1 4.03Å
301I81.9Confident80Confident81 Ų8159.1 Ų59.142%0.41529%0.294SS..Hα-helixtrans-58.7-42178.1-62.4-60.2000111.1F297 I298 I304 R305F297-I301 HydrophobicContact CD1-CG1 4.45Å; F297-I301 HydrophobicContact CE1-CD1 4.47Å; F297-I301 HydrophobicContact CE1-CG1 4.06Å; F297-I301 HydrophobicContact CE2-CD1 4.32Å; F297-I301 HydrophobicContact CZ-CD1 4.01Å; F297-I301 HydrophobicContact CZ-CG1 4.09Å; F297-I301 WeakPolarHBondContact O-CG1 3.19Å; F297-I301 PolarHBondContact O-N 3.33Å; I298-I301 PolarHBondContact O-N 3.29Å; I301-I304 PolarHBondContact O-N 2.91Å; I301-R305 WeakPolarHBondContact O-CB 3.27Å; I301-R305 PolarHBondContact O-N 3.49Å
302N82.9Confident79.1Confident58 Ų5864.9 Ų64.931%0.3131%0.306SS..Hα-helixtrans-63.7-44.3177-71.3-24.1000112.2I298 Q299 F300 R305 I306I298-N302 PolarHBondContact O-N 3.41Å; I298-N302 PolarHBondContact O-ND2 3.22Å; Q299-N302 PolarHBondContact O-N 3.37Å; F300-N302 VanDerWaalsContact C-N 3.28Å; F300-N302 PolarHBondContact O-N 2.81Å; N302-R305 PolarHBondContact O-N 3.27Å; N302-I306 VanDerWaalsContact O-CG1 3.31Å; N302-I306 WeakPolarHBondContact O-CG1 3.25Å; N302-I306 PolarHBondContact O-N 3.48Å
303I80.6Confident77.8Confident8 Ų869.5 Ų69.54%0.04134%0.337CS..Hα-helixtrans-61.5-46.8176.9-69.3158.4000110.5L228 H229 L232 Q299 F300 R305 I306 L307L228-I303 HydrophobicContact CD2-CD1 4.12Å; L228-I303 HydrophobicContact CD2-CG2 4.07Å; H229-I303 HydrophobicContact CB-CG1 4.43Å; L232-I303 HydrophobicContact CD1-CG2 4.32Å; Q299-I303 HydrophobicContact CG-CD1 3.97Å; Q299-I303 WeakPolarHBondContact O-CD1 3.41Å; Q299-I303 VanDerWaalsContact O-CG1 3.28Å; Q299-I303 WeakPolarHBondContact O-CG1 3.24Å; Q299-I303 PolarHBondContact O-N 3.49Å; F300-I303 PolarHBondContact O-N 2.83Å; I303-R305 VanDerWaalsContact C-N 3.33Å; I303-R305 PolarHBondContact O-N 3.39Å; I303-I306 PolarHBondContact O-N 3.04Å; I303-L307 VanDerWaalsContact O-CB 3.27Å; I303-L307 WeakPolarHBondContact O-CB 3.27Å; I303-L307 PolarHBondContact O-N 3.41Å
304I78.3Confident76.5Confident48 Ų4874.5 Ų74.525%0.24637%0.371CS..Hα-helixtrans-61.2-43.3177.9-66.9-61.2000110.8F300 I301 I306 L307 V308 T331F300-I304 HydrophobicContact CD1-CG1 4.38Å; F300-I304 HydrophobicContact CD2-CG1 4.18Å; F300-I304 HydrophobicContact CE1-CG1 3.86Å; F300-I304 HydrophobicContact CE2-CD1 3.82Å; F300-I304 HydrophobicContact CE2-CG1 3.64Å; F300-I304 HydrophobicContact CZ-CD1 3.84Å; F300-I304 HydrophobicContact CZ-CG1 3.43Å; F300-I304 VanDerWaalsContact CZ-CG1 3.43Å; F300-I304 WeakPolarHBondContact O-CG1 3.03Å; F300-I304 PolarHBondContact O-N 2.83Å; I301-I304 PolarHBondContact O-N 2.91Å; I304-I306 PolarHBondContact O-N 2.9Å; I304-L307 PolarHBondContact O-N 2.77Å; I304-V308 HydrophobicContact CG2-CG2 4.12Å; I304-V308 WeakPolarHBondContact O-CB 3.43Å; I304-V308 VanDerWaalsContact O-CG2 3.24Å; I304-V308 WeakPolarHBondContact O-CG2 3.41Å; I304-V308 PolarHBondContact O-N 3.32Å; I304-T331 HydrophobicContact CD1-CG2 3.97Å
305R83.3Confident75.1Confident161 Ų16177.2 Ų77.261%0.60839%0.386SS*.Hα-helixtrans-58.3-48.5176.8-176.2-178.8178.7-179.21.8111.4I301 N302 I303 V308 Q309I301-R305 WeakPolarHBondContact O-CB 3.27Å; I301-R305 PolarHBondContact O-N 3.49Å; N302-R305 PolarHBondContact O-N 3.27Å; I303-R305 VanDerWaalsContact C-N 3.33Å; I303-R305 PolarHBondContact O-N 3.39Å; R305-V308 PolarHBondContact O-N 2.91Å; R305-Q309 WeakPolarHBondContact O-CB 3.35Å; R305-Q309 WeakPolarHBondContact O-CG 3.32Å; R305-Q309 PolarHBondContact O-N 3.38Å
306I78.3Confident73.5Confident28 Ų2881.9 Ų81.914%0.14441%0.407CS..Hα-helixtrans-64.1-44.6178.9-65.8164.9000110.6L232 V233 N302 I303 I304 V308 Q309 K310L232-I306 HydrophobicContact CB-CG2 4.22Å; L232-I306 HydrophobicContact CD1-CG2 4.31Å; V233-I306 HydrophobicContact CG2-CD1 3.7Å; N302-I306 VanDerWaalsContact O-CG1 3.31Å; N302-I306 WeakPolarHBondContact O-CG1 3.25Å; N302-I306 PolarHBondContact O-N 3.48Å; I303-I306 PolarHBondContact O-N 3.04Å; I304-I306 PolarHBondContact O-N 2.9Å; I306-V308 PolarHBondContact O-N 3.28Å; I306-Q309 PolarHBondContact O-N 2.9Å; I306-K310 HydrophobicContact CG2-CG 4.43Å; I306-K310 WeakPolarHBondContact O-CG 3.03Å; I306-K310 PolarHBondContact O-N 2.85Å
307L75.3Confident71.8Confident30 Ų3084.6 Ų84.616%0.15744%0.435CS..Hα-helixtrans-61.1-46.2178.9-177.465.5000111.3I303 I304 K310 L311 T331I303-L307 VanDerWaalsContact O-CB 3.27Å; I303-L307 WeakPolarHBondContact O-CB 3.27Å; I303-L307 PolarHBondContact O-N 3.41Å; I304-L307 PolarHBondContact O-N 2.77Å; L307-K310 PolarHBondContact O-N 2.75Å; L307-L311 HydrophobicContact CD1-CD1 4.36Å; L307-L311 HydrophobicContact CD2-CD1 4.49Å; L307-L311 HydrophobicContact CG-CD1 3.83Å; L307-L311 VanDerWaalsContact O-CB 3.31Å; L307-L311 WeakPolarHBondContact O-CB 3.03Å; L307-L311 WeakPolarHBondContact O-CD1 3.37Å; L307-L311 VanDerWaalsContact O-CG 3.27Å; L307-L311 WeakPolarHBondContact O-CG 3.38Å; L307-L311 PolarHBondContact O-N 2.95Å; L307-T331 HydrophobicContact CD2-CG2 3.86Å
308V75.8Confident70.8Confident74 Ų7485.8 Ų85.845%0.44847%0.465SS..Hα-helixtrans-65.6-38.7177.5171.80000111.4I304 R305 I306 L311 R312I304-V308 HydrophobicContact CG2-CG2 4.12Å; I304-V308 WeakPolarHBondContact O-CB 3.43Å; I304-V308 VanDerWaalsContact O-CG2 3.24Å; I304-V308 WeakPolarHBondContact O-CG2 3.41Å; I304-V308 PolarHBondContact O-N 3.32Å; R305-V308 PolarHBondContact O-N 2.91Å; I306-V308 PolarHBondContact O-N 3.28Å; V308-L311 WeakPolarHBondContact O-CB 3.23Å; V308-L311 PolarHBondContact O-N 3.49Å; V308-R312 VanDerWaalsContact O-CB 3.32Å; V308-R312 WeakPolarHBondContact O-CB 3.22Å; V308-R312 PolarHBondContact O-N 2.91Å
309Q75.6Confident69.4Low102 Ų10287.3 Ų87.348%0.47748%0.475SS..Hα-helixtrans-62.3-45.3174.3-76.8172.5-11.600111.4R305 I306 R312 C313R305-Q309 WeakPolarHBondContact O-CB 3.35Å; R305-Q309 WeakPolarHBondContact O-CG 3.32Å; R305-Q309 PolarHBondContact O-N 3.38Å; I306-Q309 PolarHBondContact O-N 2.9Å; Q309-R312 PolarHBondContact O-N 3.35Å; Q309-C313 PolarHBondContact O-N 3.29Å
310K70Confident68.1Low139 Ų13990.3 Ų90.360%0.60449%0.491SS*.Hα-helixtrans-65.8-38.4176.2-69.9-73.4-175.4177.20112.5I306 L307 R312I306-K310 HydrophobicContact CG2-CG 4.43Å; I306-K310 WeakPolarHBondContact O-CG 3.03Å; I306-K310 PolarHBondContact O-N 2.85Å; L307-K310 PolarHBondContact O-N 2.75Å; K310-R312 VanDerWaalsContact C-N 3.26Å; K310-R312 PolarHBondContact O-N 2.74Å
311L63.8Low66.8Low63 Ų6397.7 Ų97.733%0.3353%0.526SS..Hα-helixtrans-62-31.1173.6-85.1157.3000113.3L307 V308 Y324 A328L307-L311 HydrophobicContact CD1-CD1 4.36Å; L307-L311 HydrophobicContact CD2-CD1 4.49Å; L307-L311 HydrophobicContact CG-CD1 3.83Å; L307-L311 VanDerWaalsContact O-CB 3.31Å; L307-L311 WeakPolarHBondContact O-CB 3.03Å; L307-L311 WeakPolarHBondContact O-CD1 3.37Å; L307-L311 VanDerWaalsContact O-CG 3.27Å; L307-L311 WeakPolarHBondContact O-CG 3.38Å; L307-L311 PolarHBondContact O-N 2.95Å; V308-L311 WeakPolarHBondContact O-CB 3.23Å; V308-L311 PolarHBondContact O-N 3.49Å; L311-Y324 HydrophobicContact CD2-CD1 3.5Å; L311-Y324 HydrophobicContact CD2-CG 3.74Å; L311-Y324 HydrophobicContact CG-CD1 3.93Å; L311-A328 HydrophobicContact CD1-CB 4.13Å
312R65.9Low65.5Low212 Ų21296.6 Ų96.680%0.853%0.525SS*.Hα-helixtrans-92.1-9.9-173.7-159.6171.1-172.61711.8113.6V308 Q309 K310 P314V308-R312 VanDerWaalsContact O-CB 3.32Å; V308-R312 WeakPolarHBondContact O-CB 3.22Å; V308-R312 PolarHBondContact O-N 2.91Å; Q309-R312 PolarHBondContact O-N 3.35Å; K310-R312 VanDerWaalsContact C-N 3.26Å; K310-R312 PolarHBondContact O-N 2.74Å; R312-P314 VanDerWaalsContact O-CD 3.29Å; R312-P314 WeakPolarHBondContact O-CD 3.44Å
313C58.2Low64.2Low100 Ų10098.5 Ų98.568%0.67653%0.532SS*.  trans-92.7100.5171.4-71.80000109.7Q309 D315Q309-C313 PolarHBondContact O-N 3.29Å; C313-D315 PolarHBondContact O-N 2.9Å
314P53.9Low62.9Low120 Ų120103.1 Ų103.178%0.77955%0.55SS*.  trans-97.675.7-174.434.9-19.8000108.9R312R312-P314 VanDerWaalsContact O-CD 3.29Å; R312-P314 WeakPolarHBondContact O-CD 3.44Å
315D53.8Low61.9Low155 Ų155109.9 Ų109.983%0.82957%0.572SS**  trans-93.4105.4164.1-102.9-30.6000109.2C313C313-D315 PolarHBondContact O-N 2.9Å
316I52.8Low60.6Low157 Ų157110.2 Ų110.281%0.80557%0.573SS**SBendtrans83.3106162-54.8155000116.6
317G48.3Very low59.4Low57 Ų57113.2 Ų113.259%0.58859%0.589SS**  trans106.5104.4143.600000117.6N319G317-N319 PolarHBondContact O-N 3.39Å
318G62.4Low58.4Low90 Ų90112.9 Ų112.993%0.92859%0.591SS**THydrogen-bonded Turntrans-64.899.517400000113.8
319N53.7Low57.7Low119 Ų119116.6 Ų116.664%0.63660%0.601SS**THydrogen-bonded Turntrans-176.3-26.5153.9-172.533.9000109.1G317 Q321 S322G317-N319 PolarHBondContact O-N 3.39Å; N319-Q321 VanDerWaalsContact C-N 3.32Å; N319-Q321 PolarHBondContact O-N 3.49Å; N319-S322 PolarHBondContact O-N 2.82Å; N319-S322 PolarHBondContact O-OG 3.47Å
320D55.2Low56.6Low77 Ų77113.9 Ų113.941%0.41259%0.594SS.*Hα-helixtrans-70.7-21.9-177.1-69.2-27.5000114S322 Q323 Y324D320-S322 PolarHBondContact O-N 3.47Å; D320-Q323 WeakPolarHBondContact O-CB 3.22Å; D320-Q323 PolarHBondContact O-N 2.95Å; D320-Y324 HydrophobicContact CB-CD2 4.24Å; D320-Y324 WeakPolarHBondContact O-CB 3.5Å; D320-Y324 WeakPolarHBondContact O-CD2 3.41Å; D320-Y324 PolarHBondContact O-N 3.39Å
321Q52.1Low56Low172 Ų172108.4 Ų108.480%0.80457%0.572SS**Hα-helixtrans-58.3-32.5174.5-159.7-17516.500112.2N319 R325N319-Q321 VanDerWaalsContact C-N 3.32Å; N319-Q321 PolarHBondContact O-N 3.49Å; Q321-R325 VanDerWaalsContact O-CB 3.27Å; Q321-R325 WeakPolarHBondContact O-CB 3.21Å; Q321-R325 PolarHBondContact O-N 3.29Å
322S54.7Low55.5Low58 Ų58111 Ų11141%0.40659%0.586SS.*Hα-helixtrans-74.9-37.5175.675.90000112.4N319 D320 R326N319-S322 PolarHBondContact O-N 2.82Å; N319-S322 PolarHBondContact O-OG 3.47Å; D320-S322 PolarHBondContact O-N 3.47Å; S322-R326 VanDerWaalsContact O-CB 3.29Å; S322-R326 WeakPolarHBondContact O-CB 3.46Å; S322-R326 PolarHBondContact O-N 3.37Å
323Q55.8Low55Low98 Ų98105.3 Ų105.346%0.45857%0.57SS.*Hα-helixtrans-65.4-45.2173.3-88.3-151.212.700111.3D320 R326 L327D320-Q323 WeakPolarHBondContact O-CB 3.22Å; D320-Q323 PolarHBondContact O-N 2.95Å; Q323-R326 CarbonylContact O-C 3.54Å; Q323-R326 WeakPolarHBondContact O-CA 3.32Å; Q323-R326 WeakPolarHBondContact O-CB 3.36Å; Q323-R326 PolarHBondContact O-N 2.95Å; Q323-R326 VanDerWaalsContact O-N 3.17Å; Q323-L327 WeakPolarHBondContact O-CB 3.49Å; Q323-L327 PolarHBondContact O-N 3.33Å
324Y53.3Low54.9Low105 Ų105101.1 Ų101.141%0.41254%0.541SS..Hα-helixtrans-68.1-38.2-179.8-98.5-70.1000112.5L311 D320 R326 L327 A328L311-Y324 HydrophobicContact CD2-CD1 3.5Å; L311-Y324 HydrophobicContact CD2-CG 3.74Å; L311-Y324 HydrophobicContact CG-CD1 3.93Å; D320-Y324 HydrophobicContact CB-CD2 4.24Å; D320-Y324 WeakPolarHBondContact O-CB 3.5Å; D320-Y324 WeakPolarHBondContact O-CD2 3.41Å; D320-Y324 PolarHBondContact O-N 3.39Å; Y324-R326 VanDerWaalsContact C-N 3.31Å; Y324-R326 PolarHBondContact O-N 2.92Å; Y324-L327 PolarHBondContact O-N 2.74Å; Y324-A328 VanDerWaalsContact O-CB 3.26Å; Y324-A328 WeakPolarHBondContact O-CB 3.39Å; Y324-A328 PolarHBondContact O-N 2.85Å
325R57Low54.9Low191 Ų19198.3 Ų98.372%0.72152%0.519SS*.Hα-helixtrans-65-34.3169.7-168.7175.473-162.13.5112.1Q321 K329Q321-R325 VanDerWaalsContact O-CB 3.27Å; Q321-R325 WeakPolarHBondContact O-CB 3.21Å; Q321-R325 PolarHBondContact O-N 3.29Å; R325-K329 VanDerWaalsContact O-CB 3.29Å; R325-K329 WeakPolarHBondContact O-CB 3.43Å; R325-K329 PolarHBondContact O-N 3.34Å
326R57.3Low54.8Low167 Ų16793.7 Ų93.763%0.6350%0.498SS*.Hα-helixtrans-71.9-38.1174.3-167.6177.570.3-164.91.5111.8S322 Q323 Y324 K329 S330S322-R326 VanDerWaalsContact O-CB 3.29Å; S322-R326 WeakPolarHBondContact O-CB 3.46Å; S322-R326 PolarHBondContact O-N 3.37Å; Q323-R326 CarbonylContact O-C 3.54Å; Q323-R326 WeakPolarHBondContact O-CA 3.32Å; Q323-R326 WeakPolarHBondContact O-CB 3.36Å; Q323-R326 PolarHBondContact O-N 2.95Å; Q323-R326 VanDerWaalsContact O-N 3.17Å; Y324-R326 VanDerWaalsContact C-N 3.31Å; Y324-R326 PolarHBondContact O-N 2.92Å; R326-K329 PolarHBondContact O-N 3.36Å; R326-S330 PolarHBondContact O-N 3.16Å
327L52.7Low55Low91 Ų9186.3 Ų86.348%0.47646%0.46SS..Hα-helixtrans-64.8-49.9173.4-133.380.8000110.2Q323 Y324 K329 S330 T331Q323-L327 WeakPolarHBondContact O-CB 3.49Å; Q323-L327 PolarHBondContact O-N 3.33Å; Y324-L327 PolarHBondContact O-N 2.74Å; L327-K329 VanDerWaalsContact C-N 3.32Å; L327-K329 PolarHBondContact O-N 2.89Å; L327-S330 CarbonylContact O-C 3.56Å; L327-S330 WeakPolarHBondContact O-CA 3.44Å; L327-S330 VanDerWaalsContact O-CB 3.28Å; L327-S330 WeakPolarHBondContact O-CB 3.5Å; L327-S330 PolarHBondContact O-N 2.92Å; L327-T331 PolarHBondContact O-N 3.01Å; L327-T331 PolarHBondContact O-OG1 3.4Å
328A54Low55.5Low24 Ų2483.8 Ų83.820%0.19843%0.433CS..Hα-helixtrans-59.9-39175.500000112.1L311 Y324 S330 T331 L332L311-A328 HydrophobicContact CD1-CB 4.13Å; Y324-A328 VanDerWaalsContact O-CB 3.26Å; Y324-A328 WeakPolarHBondContact O-CB 3.39Å; Y324-A328 PolarHBondContact O-N 2.85Å; A328-S330 VanDerWaalsContact C-N 3.31Å; A328-S330 PolarHBondContact O-N 2.94Å; A328-T331 CarbonylContact O-C 3.56Å; A328-T331 PolarHBondContact O-N 2.97Å; A328-L332 WeakPolarHBondContact O-CB 3.44Å; A328-L332 PolarHBondContact O-N 3.39Å
329K60.5Low55.4Low151 Ų15179.6 Ų79.666%0.65739%0.389SS*.Hα-helixtrans-64.4-34.2172.6-171176.2-179.4179.70112.3R325 R326 L327 L333R325-K329 VanDerWaalsContact O-CB 3.29Å; R325-K329 WeakPolarHBondContact O-CB 3.43Å; R325-K329 PolarHBondContact O-N 3.34Å; R326-K329 PolarHBondContact O-N 3.36Å; L327-K329 VanDerWaalsContact C-N 3.32Å; L327-K329 PolarHBondContact O-N 2.89Å; K329-L333 PolarHBondContact O-N 3.46Å; K329-L333 VanDerWaalsContact O-N 3.09Å
330S53Low55.6Low46 Ų4674.9 Ų74.932%0.32236%0.364SS..Hα-helixtrans-73.9-33.6173.2-159.90000112.6R326 L327 A328 L333 L334R326-S330 PolarHBondContact O-N 3.16Å; L327-S330 CarbonylContact O-C 3.56Å; L327-S330 WeakPolarHBondContact O-CA 3.44Å; L327-S330 VanDerWaalsContact O-CB 3.28Å; L327-S330 WeakPolarHBondContact O-CB 3.5Å; L327-S330 PolarHBondContact O-N 2.92Å; A328-S330 VanDerWaalsContact C-N 3.31Å; A328-S330 PolarHBondContact O-N 2.94Å; S330-L333 WeakPolarHBondContact O-CB 3.44Å; S330-L333 PolarHBondContact O-N 3.48Å; S330-L334 PolarHBondContact O-N 3.39Å
331T57.5Low55.9Low24 Ų2472 Ų7215%0.14735%0.347CS..Hα-helixtrans-74.5-29.2171.9-42.80000111.7I304 L307 L327 A328 L333 L334I304-T331 HydrophobicContact CD1-CG2 3.97Å; L307-T331 HydrophobicContact CD2-CG2 3.86Å; L327-T331 PolarHBondContact O-N 3.01Å; L327-T331 PolarHBondContact O-OG1 3.4Å; A328-T331 CarbonylContact O-C 3.56Å; A328-T331 PolarHBondContact O-N 2.97Å; T331-L333 VanDerWaalsContact C-N 3.31Å; T331-L334 HydrophobicContact CG2-CD2 4.44Å; T331-L334 WeakPolarHBondContact O-CA 3.38Å; T331-L334 WeakPolarHBondContact O-CB 3.34Å; T331-L334 PolarHBondContact O-N 3.04Å
332L53.9Low56.2Low118 Ų11866 Ų6662%0.61832%0.318SS*.Hα-helixtrans-68.3-31.5169.6-132.9112.5000111.2A328 L334 I335A328-L332 WeakPolarHBondContact O-CB 3.44Å; A328-L332 PolarHBondContact O-N 3.39Å; L332-L334 PolarHBondContact O-N 3.03Å; L332-I335 HydrophobicContact CB-CD1 4.28Å; L332-I335 HydrophobicContact CD2-CD1 4.23Å; L332-I335 HydrophobicContact CG-CD1 3.63Å; L332-I335 WeakPolarHBondContact O-CB 3.48Å; L332-I335 WeakPolarHBondContact O-CD1 3.5Å; L332-I335 WeakPolarHBondContact O-CG1 3.21Å; L332-I335 PolarHBondContact O-N 3.45Å
333L54.2Low56.3Low91 Ų9165.3 Ų65.348%0.47631%0.311SS..THydrogen-bonded Turntrans-73.8-10.9169-79.6161.7000113.1K329 S330 T331 I335 P336 L373K329-L333 PolarHBondContact O-N 3.46Å; K329-L333 VanDerWaalsContact O-N 3.09Å; S330-L333 WeakPolarHBondContact O-CB 3.44Å; S330-L333 PolarHBondContact O-N 3.48Å; T331-L333 VanDerWaalsContact C-N 3.31Å; L333-I335 VanDerWaalsContact C-N 3.31Å; L333-P336 WeakPolarHBondContact O-CD 3.19Å; L333-L373 HydrophobicContact CB-CD1 4.07Å; L333-L373 HydrophobicContact CB-CD2 4.41Å; L333-L373 HydrophobicContact CD1-CD2 4.44Å
334L56.3Low56.3Low13 Ų1365 Ų657%0.06832%0.316CS..THydrogen-bonded Turntrans-83.2-6.2171.6-129.570.8000112.1S330 T331 L332 L337 F338 L373 Y374S330-L334 PolarHBondContact O-N 3.39Å; T331-L334 HydrophobicContact CG2-CD2 4.44Å; T331-L334 WeakPolarHBondContact O-CA 3.38Å; T331-L334 WeakPolarHBondContact O-CB 3.34Å; T331-L334 PolarHBondContact O-N 3.04Å; L332-L334 PolarHBondContact O-N 3.03Å; L334-L337 HydrophobicContact CD1-CD2 3.72Å; L334-L337 HydrophobicContact CG-CB 4.31Å; L334-L337 HydrophobicContact CG-CD2 3.85Å; L334-L337 WeakPolarHBondContact O-CB 3.38Å; L334-L337 PolarHBondContact O-N 3.5Å; L334-F338 HydrophobicContact CB-CE2 4.32Å; L334-F338 HydrophobicContact CD2-CE2 3.77Å; L334-F338 HydrophobicContact CD2-CZ 4.07Å; L334-F338 HydrophobicContact CG-CE2 3.99Å; L334-F338 WeakPolarHBondContact O-CD2 3.12Å; L334-L373 HydrophobicContact CD1-CD1 3.85Å; L334-Y374 HydrophobicContact CD1-CE2 4.35Å
335I54.5Low56.3Low61 Ų6160.9 Ų60.931%0.31330%0.3SS..THydrogen-bonded Turntrans-62.8-42.3179.5-69177.5000113.4F300 L332 L333 L337 I340F300-I335 HydrophobicContact CE2-CG1 4.02Å; F300-I335 HydrophobicContact CZ-CD1 4.31Å; F300-I335 HydrophobicContact CZ-CG1 3.62Å; L332-I335 HydrophobicContact CB-CD1 4.28Å; L332-I335 HydrophobicContact CD2-CD1 4.23Å; L332-I335 HydrophobicContact CG-CD1 3.63Å; L332-I335 WeakPolarHBondContact O-CB 3.48Å; L332-I335 WeakPolarHBondContact O-CD1 3.5Å; L332-I335 WeakPolarHBondContact O-CG1 3.21Å; L332-I335 PolarHBondContact O-N 3.45Å; L333-I335 VanDerWaalsContact C-N 3.31Å; I335-L337 PolarHBondContact O-N 3Å; I335-I340 HydrophobicContact CG2-CD1 4.14Å; I335-I340 WeakPolarHBondContact O-CD1 3.24Å; I335-I340 WeakPolarHBondContact O-CG1 3.11Å
336P51.3Low56.1Low58 Ų5857.2 Ų57.238%0.37729%0.293SS..THydrogen-bonded Turntrans-70.9-13.6172.6-15.331.2000112.9L333L333-P336 WeakPolarHBondContact O-CD 3.19Å
337L57.8Low55.6Low1 Ų154.5 Ų54.51%0.00529%0.291CS..THydrogen-bonded Turntrans-81.3-29.9-168.8-139.785.1000113.7L221 L334 I335 G339 Q366 V369 V370 Y374L221-L337 WeakPolarHBondContact CD2-O 3.1Å; L334-L337 HydrophobicContact CD1-CD2 3.72Å; L334-L337 HydrophobicContact CG-CB 4.31Å; L334-L337 HydrophobicContact CG-CD2 3.85Å; L334-L337 WeakPolarHBondContact O-CB 3.38Å; L334-L337 PolarHBondContact O-N 3.5Å; I335-L337 PolarHBondContact O-N 3Å; L337-G339 VanDerWaalsContact C-N 3.31Å; L337-G339 PolarHBondContact O-N 3.39Å; L337-Q366 HydrophobicContact CD1-CG 4.4Å; L337-Q366 PolarHBondContact O-NE2 3.08Å; L337-V369 HydrophobicContact CD1-CB 4.47Å; L337-V369 HydrophobicContact CD1-CG1 4.24Å; L337-V370 HydrophobicContact CD1-CB 4.17Å; L337-V370 HydrophobicContact CD1-CG2 3.22Å; L337-V370 HydrophobicContact CD2-CG2 3.93Å; L337-V370 HydrophobicContact CG-CG2 3.66Å; L337-Y374 HydrophobicContact CD2-CE2 3.87Å
338F59.2Low55.6Low5 Ų558.1 Ų58.12%0.02231%0.306CS..THydrogen-bonded Turntrans-88.89.7-176.6-70.9-71.9000114.3F300 L334 I340F300-F338 HydrophobicContact CB-CD2 4.3Å; F300-F338 HydrophobicContact CB-CG 4.42Å; F300-F338 AromaticContact CD2-CD2 3.51Å; F300-F338 HydrophobicContact CD2-CD2 3.51Å; F300-F338 AromaticContact CD2-CE2 3.84Å; F300-F338 HydrophobicContact CD2-CE2 3.84Å; F300-F338 HydrophobicContact CD2-CG 4.38Å; F300-F338 HydrophobicContact CE2-CD2 4.27Å; F300-F338 HydrophobicContact CG-CD2 4.24Å; L334-F338 HydrophobicContact CB-CE2 4.32Å; L334-F338 HydrophobicContact CD2-CE2 3.77Å; L334-F338 HydrophobicContact CD2-CZ 4.07Å; L334-F338 HydrophobicContact CG-CE2 3.99Å; L334-F338 WeakPolarHBondContact O-CD2 3.12Å; F338-I340 HydrophobicContact CB-CG1 4.3Å
339G58.5Low55.3Low1 Ų161.4 Ų61.41%0.0133%0.328CS..THydrogen-bonded Turntrans75.923.9-178.400000113.7L337 H341 Y342L337-G339 VanDerWaalsContact C-N 3.31Å; L337-G339 PolarHBondContact O-N 3.39Å; G339-H341 PolarHBondContact O-N 2.98Å; G339-Y342 WeakPolarHBondContact O-CB 3.21Å; G339-Y342 PolarHBondContact O-N 3.42Å; G339-Y342 VanDerWaalsContact O-N 3.07Å
340I59.7Low54.8Low21 Ų2157.9 Ų57.911%0.10832%0.315CS..Hα-helixtrans-63.5-31.7177.4-56.9-175.6000110.8F297 F300 I335 F338 Y342 V343 V344F297-I340 HydrophobicContact CD2-CD1 4.41Å; F297-I340 HydrophobicContact CD2-CG1 4.15Å; F297-I340 HydrophobicContact CD2-CG2 4.39Å; F297-I340 HydrophobicContact CE2-CG2 4.25Å; F300-I340 HydrophobicContact CD1-CD1 3.53Å; F300-I340 HydrophobicContact CD2-CD1 4.29Å; F300-I340 HydrophobicContact CE1-CD1 3.59Å; F300-I340 HydrophobicContact CE2-CD1 4.34Å; F300-I340 HydrophobicContact CG-CD1 3.91Å; F300-I340 HydrophobicContact CZ-CD1 4.03Å; I335-I340 HydrophobicContact CG2-CD1 4.14Å; I335-I340 WeakPolarHBondContact O-CD1 3.24Å; I335-I340 WeakPolarHBondContact O-CG1 3.11Å; F338-I340 HydrophobicContact CB-CG1 4.3Å; I340-Y342 PolarHBondContact O-N 3.48Å; I340-V343 PolarHBondContact O-N 3.46Å; I340-V344 HydrophobicContact CG2-CG2 4.26Å; I340-V344 WeakPolarHBondContact O-CG2 3.48Å; I340-V344 PolarHBondContact O-N 3.06Å
341H60.2Low55Low15 Ų1559.8 Ų59.87%0.06933%0.325CS..Hα-helixtrans-57-38.717360-76.5000111.5G339 V343 V344 F345 D359 L362G339-H341 PolarHBondContact O-N 2.98Å; H341-V343 VanDerWaalsContact C-N 3.26Å; H341-V343 PolarHBondContact O-N 3.22Å; H341-V344 PolarHBondContact O-N 2.92Å; H341-F345 HydrophobicContact CB-CE2 4.46Å; H341-F345 WeakPolarHBondContact O-CD2 3.38Å; H341-F345 PolarHBondContact O-N 3.44Å; H341-D359 IonicContact CD2-OD1 3.82Å; H341-L362 HydrophobicContact CB-CD1 4.05Å
342Y59.5Low55Low47 Ų4765.1 Ų65.118%0.18435%0.348CS..Hα-helixtrans-63.7-27.5175.9-62.2-67.3000113.7R176 F218 I293 G339 I340 I346R176-Y342 PolarHBondContact NH2-OH 3.11Å; F218-Y342 AromaticContact CE1-CD2 3.79Å; F218-Y342 HydrophobicContact CE1-CD2 3.79Å; F218-Y342 AromaticContact CE1-CE2 3.57Å; F218-Y342 HydrophobicContact CE1-CE2 3.57Å; F218-Y342 AromaticContact CZ-CD2 3.92Å; F218-Y342 HydrophobicContact CZ-CD2 3.92Å; F218-Y342 AromaticContact CZ-CE2 3.48Å; F218-Y342 HydrophobicContact CZ-CE2 3.48Å; F218-Y342 VanDerWaalsContact CZ-CE2 3.48Å; F218-Y342 AromaticContact CZ-CZ 3.9Å; I293-Y342 HydrophobicContact CD1-CD2 4.33Å; I293-Y342 HydrophobicContact CD1-CG 4.22Å; G339-Y342 WeakPolarHBondContact O-CB 3.21Å; G339-Y342 PolarHBondContact O-N 3.42Å; G339-Y342 VanDerWaalsContact O-N 3.07Å; I340-Y342 PolarHBondContact O-N 3.48Å; Y342-I346 WeakPolarHBondContact O-CG1 3.46Å
343V56.3Low55.1Low44 Ų4463.4 Ų63.427%0.26734%0.34SS..Hα-helixtrans-81-39.7176.5-179.40000111.4I293 I340 H341 F345 I346I293-V343 HydrophobicContact CG2-CG2 3.49Å; I293-V343 VanDerWaalsContact CG2-CG2 3.49Å; I340-V343 PolarHBondContact O-N 3.46Å; H341-V343 VanDerWaalsContact C-N 3.26Å; H341-V343 PolarHBondContact O-N 3.22Å; V343-F345 PolarHBondContact O-N 3.42Å; V343-I346 WeakPolarHBondContact O-CB 3.47Å; V343-I346 PolarHBondContact O-N 3.13Å; V343-I346 VanDerWaalsContact O-N 3.14Å
344V55.7Low55.4Low90 Ų9065.5 Ų65.555%0.54534%0.342SS..Hα-helixtrans-62.9-29.4-179.7172.80000111.7I340 H341I340-V344 HydrophobicContact CG2-CG2 4.26Å; I340-V344 WeakPolarHBondContact O-CG2 3.48Å; I340-V344 PolarHBondContact O-N 3.06Å; H341-V344 PolarHBondContact O-N 2.92Å
345F53.7Low55.5Low19 Ų1968.7 Ų68.78%0.08336%0.356CS..THydrogen-bonded Turntrans-91.27.7177.6-67.2-66.5000114.8H341 V343 I350 K355 F358 D359H341-F345 HydrophobicContact CB-CE2 4.46Å; H341-F345 WeakPolarHBondContact O-CD2 3.38Å; H341-F345 PolarHBondContact O-N 3.44Å; V343-F345 PolarHBondContact O-N 3.42Å; F345-I350 HydrophobicContact CD1-CD1 4.22Å; F345-I350 HydrophobicContact CE1-CD1 3.97Å; F345-K355 HydrophobicContact CB-CD 3.93Å; F345-K355 HydrophobicContact CB-CG 3.89Å; F345-K355 HydrophobicContact CD1-CB 4.21Å; F345-K355 HydrophobicContact CD1-CG 4.16Å; F345-K355 HydrophobicContact CG-CG 4.07Å; F345-K355 VanDerWaalsContact O-CE 3.27Å; F345-K355 WeakPolarHBondContact O-CE 3.26Å; F345-K355 PolarHBondContact O-NZ 3.23Å; F345-F358 HydrophobicContact CE1-CB 4.39Å; F345-F358 HydrophobicContact CE2-CB 3.67Å; F345-F358 HydrophobicContact CE2-CG 4.42Å; F345-F358 HydrophobicContact CZ-CB 3.43Å; F345-F358 VanDerWaalsContact CZ-CB 3.43Å; F345-F358 HydrophobicContact CZ-CD1 4.41Å; F345-F358 HydrophobicContact CZ-CD2 4.35Å; F345-F358 AromaticContact CZ-CG 3.84Å; F345-F358 HydrophobicContact CZ-CG 3.84Å; F345-D359 VanDerWaalsContact CD2-OD1 3.32Å; F345-D359 WeakPolarHBondContact CD2-OD1 3.32Å
346I52.5Low55.6Low114 Ų11470.1 Ų70.159%0.58536%0.363SS*.THydrogen-bonded Turntrans-71.3-21.9170.8-66.5176.6000111Y342 V343 E348Y342-I346 WeakPolarHBondContact O-CG1 3.46Å; V343-I346 WeakPolarHBondContact O-CB 3.47Å; V343-I346 PolarHBondContact O-N 3.13Å; V343-I346 VanDerWaalsContact O-N 3.14Å; I346-E348 PolarHBondContact O-N 2.95Å
347D47.4Very low56.1Low110 Ų11070.2 Ų70.259%0.58836%0.357SS*.SBendtrans-74.9121.5175.6-162.359.5000110.8S349D347-S349 PolarHBondContact O-N 3.3Å; D347-S349 WeakPolarHBondContact OD2-CB 3.35Å; D347-S349 PolarHBondContact OD2-OG 3.26Å
348E51.3Low56.4Low168 Ų16874.7 Ų74.779%0.78538%0.377SS*.THydrogen-bonded Turntrans-66.34.8-172.8-72.9-179.5154.700114.7I346I346-E348 PolarHBondContact O-N 2.95Å
349S48.9Very low56.6Low93 Ų9375.8 Ų75.865%0.6538%0.383SS*.THydrogen-bonded Turntrans-87.2-6.3-168.563.90000115.2D347D347-S349 PolarHBondContact O-N 3.3Å; D347-S349 WeakPolarHBondContact OD2-CB 3.35Å; D347-S349 PolarHBondContact OD2-OG 3.26Å
350I49.8Very low56.8Low77 Ų7779.1 Ų79.140%0.39540%0.4SS..SBendtrans-107.3130.8-179.3-57.5-173.5000110.3F345 E352F345-I350 HydrophobicContact CD1-CD1 4.22Å; F345-I350 HydrophobicContact CE1-CD1 3.97Å; I350-E352 PolarHBondContact O-N 2.86Å
351T57.4Low57.1Low86 Ų8678.9 Ų78.953%0.52840%0.401SS..  trans-48.2129.2177.9-41.40000111.1D353 Y354 K355T351-D353 PolarHBondContact O-N 3.34Å; T351-Y354 PolarHBondContact O-N 2.98Å; T351-K355 PolarHBondContact O-N 3Å
352E57.3Low57.4Low136 Ų13681.4 Ų81.464%0.63642%0.415SS*.Hα-helixtrans-51.1-33.7-173.1-60.6-173.7159.200113.5I350 Y354 K355 I356I350-E352 PolarHBondContact O-N 2.86Å; E352-Y354 PolarHBondContact O-N 3.43Å; E352-K355 PolarHBondContact O-N 2.91Å; E352-I356 WeakPolarHBondContact O-CG1 3.4Å; E352-I356 PolarHBondContact O-N 2.93Å; E352-I356 VanDerWaalsContact O-N 3.17Å
353D55.9Low58Low82 Ų8279.4 Ų79.444%0.43941%0.409SS..Hα-helixtrans-63.5-38.6177.8-66.5-34000113.5F126 T351 F357F126-D353 HydrophobicContact CE1-CB 4.23Å; F126-D353 HydrophobicContact CZ-CB 4.48Å; T351-D353 PolarHBondContact O-N 3.34Å; D353-F357 PolarHBondContact O-N 3.4Å
354Y60.5Low59.1Low135 Ų13577.4 Ų77.453%0.52940%0.397SS..Hα-helixtrans-76.3-32.2178.8-67.8-67.6000111.9T351 E352 F357 F358T351-Y354 PolarHBondContact O-N 2.98Å; E352-Y354 PolarHBondContact O-N 3.43Å; Y354-F357 PolarHBondContact O-N 2.88Å; Y354-F358 WeakPolarHBondContact O-CB 3.31Å; Y354-F358 PolarHBondContact O-N 2.83Å
355K58.2Low60.3Low80 Ų8076.6 Ų76.635%0.34839%0.386SS..Hα-helixtrans-61.9-50.1175.4175169.7176.3169.30110.9F345 T351 E352 F357 F358 D359F345-K355 HydrophobicContact CB-CD 3.93Å; F345-K355 HydrophobicContact CB-CG 3.89Å; F345-K355 HydrophobicContact CD1-CB 4.21Å; F345-K355 HydrophobicContact CD1-CG 4.16Å; F345-K355 HydrophobicContact CG-CG 4.07Å; F345-K355 VanDerWaalsContact O-CE 3.27Å; F345-K355 WeakPolarHBondContact O-CE 3.26Å; F345-K355 PolarHBondContact O-NZ 3.23Å; T351-K355 PolarHBondContact O-N 3Å; E352-K355 PolarHBondContact O-N 2.91Å; K355-F357 VanDerWaalsContact C-N 3.34Å; K355-F357 PolarHBondContact O-N 2.53Å; K355-F358 PolarHBondContact O-N 2.9Å; K355-D359 VanDerWaalsContact O-CB 3.29Å; K355-D359 WeakPolarHBondContact O-CB 3.4Å; K355-D359 PolarHBondContact O-N 2.94Å
356I57.4Low61.7Low91 Ų9176 Ų7647%0.46738%0.383SS..Hα-helixtrans-60.5-44.9176.5-64.1168.4000110.5E352 D359 L360E352-I356 WeakPolarHBondContact O-CG1 3.4Å; E352-I356 PolarHBondContact O-N 2.93Å; E352-I356 VanDerWaalsContact O-N 3.17Å; I356-D359 PolarHBondContact O-N 3.41Å; I356-L360 HydrophobicContact CG2-CD1 3.89Å; I356-L360 HydrophobicContact CG2-CD2 4.4Å; I356-L360 WeakPolarHBondContact O-CB 3.16Å; I356-L360 VanDerWaalsContact O-CD1 3.26Å; I356-L360 WeakPolarHBondContact O-CD1 3.35Å; I356-L360 PolarHBondContact O-N 3.25Å
357F62Low63.4Low59 Ų5970.6 Ų70.626%0.25936%0.356SS..Hα-helixtrans-59.8-49.5178.5177-103.5000112.6F126 V130 L133 D353 Y354 K355 A361F126-F357 HydrophobicContact CZ-CB 4.18Å; V130-F357 HydrophobicContact CB-CD2 4.29Å; V130-F357 HydrophobicContact CG1-CD2 4.12Å; V130-F357 HydrophobicContact CG2-CD2 3.54Å; V130-F357 HydrophobicContact CG2-CE2 4.22Å; L133-F357 HydrophobicContact CD1-CE2 3.85Å; L133-F357 HydrophobicContact CD1-CZ 4.25Å; D353-F357 PolarHBondContact O-N 3.4Å; Y354-F357 PolarHBondContact O-N 2.88Å; K355-F357 VanDerWaalsContact C-N 3.34Å; K355-F357 PolarHBondContact O-N 2.53Å; F357-A361 WeakPolarHBondContact O-CB 3.42Å; F357-A361 PolarHBondContact O-N 2.04Å
358F63.1Low65.3Low95 Ų9567.4 Ų67.442%0.41734%0.339SS..Hα-helixtrans-67.6-40.7179.9-96-83.9000112.2F345 Y354 K355 L362F345-F358 HydrophobicContact CE1-CB 4.39Å; F345-F358 HydrophobicContact CE2-CB 3.67Å; F345-F358 HydrophobicContact CE2-CG 4.42Å; F345-F358 HydrophobicContact CZ-CB 3.43Å; F345-F358 VanDerWaalsContact CZ-CB 3.43Å; F345-F358 HydrophobicContact CZ-CD1 4.41Å; F345-F358 HydrophobicContact CZ-CD2 4.35Å; F345-F358 AromaticContact CZ-CG 3.84Å; F345-F358 HydrophobicContact CZ-CG 3.84Å; Y354-F358 WeakPolarHBondContact O-CB 3.31Å; Y354-F358 PolarHBondContact O-N 2.83Å; K355-F358 PolarHBondContact O-N 2.9Å; F358-L362 HydrophobicContact CD1-CD1 3.71Å; F358-L362 HydrophobicContact CD1-CG 4.03Å; F358-L362 HydrophobicContact CE1-CD1 4.46Å; F358-L362 WeakPolarHBondContact O-CB 3.46Å; F358-L362 VanDerWaalsContact O-CG 3.29Å; F358-L362 WeakPolarHBondContact O-CG 3.42Å; F358-L362 PolarHBondContact O-N 3.28Å
359D62.6Low66.8Low28 Ų2861.7 Ų61.715%0.1532%0.315CS..Hα-helixtrans-65.2-43.6179.7-78.5-19.7000112.2H341 F345 K355 I356 G363H341-D359 IonicContact CD2-OD1 3.82Å; F345-D359 VanDerWaalsContact CD2-OD1 3.32Å; F345-D359 WeakPolarHBondContact CD2-OD1 3.32Å; K355-D359 VanDerWaalsContact O-CB 3.29Å; K355-D359 WeakPolarHBondContact O-CB 3.4Å; K355-D359 PolarHBondContact O-N 2.94Å; I356-D359 PolarHBondContact O-N 3.41Å; D359-G363 WeakPolarHBondContact O-CA 3.41Å; D359-G363 PolarHBondContact O-N 2.96Å; D359-G363 VanDerWaalsContact O-N 3.08Å
360L64.2Low68.5Low72 Ų7257.2 Ų57.238%0.37728%0.284SS..Hα-helixtrans-74.4-43.6178.6-86.168.7000111.5Y134 I356 S364Y134-L360 HydrophobicContact CD1-CD2 4.03Å; Y134-L360 HydrophobicContact CE1-CD2 4.48Å; I356-L360 HydrophobicContact CG2-CD1 3.89Å; I356-L360 HydrophobicContact CG2-CD2 4.4Å; I356-L360 WeakPolarHBondContact O-CB 3.16Å; I356-L360 VanDerWaalsContact O-CD1 3.26Å; I356-L360 WeakPolarHBondContact O-CD1 3.35Å; I356-L360 PolarHBondContact O-N 3.25Å; L360-S364 VanDerWaalsContact O-CB 3.27Å; L360-S364 WeakPolarHBondContact O-CB 3.49Å; L360-S364 PolarHBondContact O-N 2.9Å; L360-S364 PolarHBondContact O-OG 2.81Å
361A65.4Low70.3Confident15 Ų1553.6 Ų53.612%0.12427%0.265CS..Hα-helixtrans-67.4-53.5-179.300000111.2F357 G363 S364 F365F357-A361 WeakPolarHBondContact O-CB 3.42Å; F357-A361 PolarHBondContact O-N 2.04Å; A361-G363 VanDerWaalsContact C-N 3.32Å; A361-G363 PolarHBondContact O-N 3.22Å; A361-S364 PolarHBondContact O-N 3.09Å; A361-S364 PolarHBondContact O-OG 2.7Å; A361-F365 WeakPolarHBondContact O-CD2 3.34Å; A361-F365 PolarHBondContact O-N 3.28Å
362L67.3Low71.6Confident68 Ų6852.7 Ų52.736%0.35626%0.257SS..Hα-helixtrans-63.8-38.8179.2-66.3179.5000111.6H341 F358 S364 F365 Q366H341-L362 HydrophobicContact CB-CD1 4.05Å; F358-L362 HydrophobicContact CD1-CD1 3.71Å; F358-L362 HydrophobicContact CD1-CG 4.03Å; F358-L362 HydrophobicContact CE1-CD1 4.46Å; F358-L362 WeakPolarHBondContact O-CB 3.46Å; F358-L362 VanDerWaalsContact O-CG 3.29Å; F358-L362 WeakPolarHBondContact O-CG 3.42Å; F358-L362 PolarHBondContact O-N 3.28Å; L362-S364 VanDerWaalsContact C-N 3.33Å; L362-S364 PolarHBondContact O-N 2.88Å; L362-F365 PolarHBondContact O-N 3.08Å; L362-Q366 WeakPolarHBondContact O-CB 3.45Å; L362-Q366 PolarHBondContact O-N 3.28Å
363G71.1Confident72.7Confident6 Ų647.1 Ų47.16%0.06223%0.231CC..Hα-helixtrans-61.2-38.8174.300000113.1D359 A361 Q366D359-G363 WeakPolarHBondContact O-CA 3.41Å; D359-G363 PolarHBondContact O-N 2.96Å; D359-G363 VanDerWaalsContact O-N 3.08Å; A361-G363 VanDerWaalsContact C-N 3.32Å; A361-G363 PolarHBondContact O-N 3.22Å; G363-Q366 WeakPolarHBondContact O-CB 3.45Å; G363-Q366 PolarHBondContact O-N 3.03Å
364S78.7Confident73.8Confident1 Ų145.1 Ų45.11%0.00722%0.218CC..Hα-helixtrans-68.1-36.8-179.573.70000113.5G137 L360 A361 L362G137-S364 CarbonylContact C-O 3.47Å; L360-S364 VanDerWaalsContact O-CB 3.27Å; L360-S364 WeakPolarHBondContact O-CB 3.49Å; L360-S364 PolarHBondContact O-N 2.9Å; L360-S364 PolarHBondContact O-OG 2.81Å; A361-S364 PolarHBondContact O-N 3.09Å; A361-S364 PolarHBondContact O-OG 2.7Å; L362-S364 VanDerWaalsContact C-N 3.33Å; L362-S364 PolarHBondContact O-N 2.88Å
365F81.8Confident74.9Confident74 Ų7438.7 Ų38.733%0.32519%0.192SC..Hα-helixtrans-87.7-11.8178.2-66.1-70.1000113.7A361 L362 G367 L368 V369A361-F365 WeakPolarHBondContact O-CD2 3.34Å; A361-F365 PolarHBondContact O-N 3.28Å; L362-F365 PolarHBondContact O-N 3.08Å; F365-G367 VanDerWaalsContact C-N 3.32Å; F365-G367 PolarHBondContact O-N 3.12Å; F365-L368 HydrophobicContact CD1-CD2 4.19Å; F365-L368 WeakPolarHBondContact O-CB 3.4Å; F365-L368 PolarHBondContact O-N 3.29Å; F365-V369 PolarHBondContact O-N 3.34Å; F365-V369 VanDerWaalsContact O-N 3.08Å
366Q83.9Confident76.1Confident5 Ų538.2 Ų38.22%0.02319%0.191CC..Hα-helixtrans-52.2-50.4-178.5-170.6-178.4-1100111.1F173 L337 L362 G363 L368 V369 V370F173-Q366 HydrophobicContact CE1-CB 4.31Å; F173-Q366 HydrophobicContact CE1-CG 3.95Å; F173-Q366 HydrophobicContact CZ-CG 4.05Å; L337-Q366 HydrophobicContact CD1-CG 4.4Å; L337-Q366 PolarHBondContact O-NE2 3.08Å; L362-Q366 WeakPolarHBondContact O-CB 3.45Å; L362-Q366 PolarHBondContact O-N 3.28Å; G363-Q366 WeakPolarHBondContact O-CB 3.45Å; G363-Q366 PolarHBondContact O-N 3.03Å; Q366-L368 VanDerWaalsContact C-N 3.31Å; Q366-L368 PolarHBondContact O-N 2.89Å; Q366-V369 PolarHBondContact O-N 3.09Å; Q366-V369 VanDerWaalsContact O-N 3.16Å; Q366-V370 VanDerWaalsContact O-CG2 3.25Å; Q366-V370 WeakPolarHBondContact O-CG2 3.21Å; Q366-V370 PolarHBondContact O-N 3.29Å
367G86.8Confident77.1Confident1 Ų138.8 Ų38.81%0.0119%0.194CC..Hα-helixtrans-64.3-30.6179.700000114.3S141 L145 F365 V370 A371S141-G367 WeakPolarHBondContact OG-CA 3.49Å; L145-G367 WeakPolarHBondContact CD2-O 3.42Å; F365-G367 VanDerWaalsContact C-N 3.32Å; F365-G367 PolarHBondContact O-N 3.12Å; G367-V370 WeakPolarHBondContact O-CB 3.13Å; G367-V370 PolarHBondContact O-N 3.48Å; G367-A371 WeakPolarHBondContact O-CB 3.11Å; G367-A371 PolarHBondContact O-N 3.4Å
368L86.9Confident78Confident43 Ų4337.4 Ų37.423%0.22519%0.189CC..Hα-helixtrans-65.6-45173.317764.4000110.8S141 A144 F365 Q366 A371 I372S141-L368 PolarHBondContact OG-N 2.92Å; S141-L368 VanDerWaalsContact OG-N 3.13Å; A144-L368 HydrophobicContact CB-CD1 3.47Å; A144-L368 VanDerWaalsContact CB-CD1 3.47Å; F365-L368 HydrophobicContact CD1-CD2 4.19Å; F365-L368 WeakPolarHBondContact O-CB 3.4Å; F365-L368 PolarHBondContact O-N 3.29Å; Q366-L368 VanDerWaalsContact C-N 3.31Å; Q366-L368 PolarHBondContact O-N 2.89Å; L368-A371 PolarHBondContact O-N 2.87Å; L368-I372 HydrophobicContact CD1-CD1 4.03Å; L368-I372 HydrophobicContact CD1-CG1 4.42Å; L368-I372 HydrophobicContact CG-CD1 3.97Å; L368-I372 VanDerWaalsContact O-CG1 3.32Å; L368-I372 WeakPolarHBondContact O-CG1 3.38Å; L368-I372 PolarHBondContact O-N 2.88Å
369V84.3Confident78.6Confident48 Ų4837.2 Ų37.229%0.29120%0.2SC..Hα-helixtrans-62.5-44.9177177.20000110.5L337 F365 Q366 A371 I372 L373L337-V369 HydrophobicContact CD1-CB 4.47Å; L337-V369 HydrophobicContact CD1-CG1 4.24Å; F365-V369 PolarHBondContact O-N 3.34Å; F365-V369 VanDerWaalsContact O-N 3.08Å; Q366-V369 PolarHBondContact O-N 3.09Å; Q366-V369 VanDerWaalsContact O-N 3.16Å; V369-A371 VanDerWaalsContact C-N 3.35Å; V369-A371 PolarHBondContact O-N 3.45Å; V369-I372 PolarHBondContact O-N 3.32Å; V369-L373 HydrophobicContact CG1-CD1 3.78Å; V369-L373 HydrophobicContact CG1-CG 4.27Å; V369-L373 WeakPolarHBondContact O-CG 3.41Å; V369-L373 PolarHBondContact O-N 2.98Å
370V84.8Confident79.5Confident0 Ų039.8 Ų39.80%021%0.211CC..Hα-helixtrans-52.3-52.1173.71770000110.6L169 F170 F173 L337 Q366 G367 I372 L373 Y374L169-V370 HydrophobicContact CD2-CG1 4.18Å; F170-V370 HydrophobicContact CD1-CG1 3.78Å; F170-V370 HydrophobicContact CE1-CG1 3.47Å; F170-V370 VanDerWaalsContact CE1-CG1 3.47Å; F173-V370 HydrophobicContact CD2-CG2 4.3Å; F173-V370 HydrophobicContact CE2-CG1 4.48Å; F173-V370 HydrophobicContact CE2-CG2 3.7Å; F173-V370 HydrophobicContact CZ-CG2 3.92Å; L337-V370 HydrophobicContact CD1-CB 4.17Å; L337-V370 HydrophobicContact CD1-CG2 3.22Å; L337-V370 HydrophobicContact CD2-CG2 3.93Å; L337-V370 HydrophobicContact CG-CG2 3.66Å; Q366-V370 VanDerWaalsContact O-CG2 3.25Å; Q366-V370 WeakPolarHBondContact O-CG2 3.21Å; Q366-V370 PolarHBondContact O-N 3.29Å; G367-V370 WeakPolarHBondContact O-CB 3.13Å; G367-V370 PolarHBondContact O-N 3.48Å; V370-I372 PolarHBondContact O-N 3.2Å; V370-L373 PolarHBondContact O-N 2.95Å; V370-Y374 HydrophobicContact CG1-CD2 3.78Å; V370-Y374 HydrophobicContact CG1-CE2 4.26Å; V370-Y374 PolarHBondContact O-N 3.39Å
371A87.1Confident80.4Confident0 Ų036.4 Ų36.40%019%0.193CC..Hα-helixtrans-62.8-40.9-177.500000112.4A144 L145 G367 L368 V369 C375 F376A144-A371 HydrophobicContact CB-CB 4.11Å; L145-A371 HydrophobicContact CD2-CB 3.94Å; L145-A371 HydrophobicContact CG-CB 4.26Å; G367-A371 WeakPolarHBondContact O-CB 3.11Å; G367-A371 PolarHBondContact O-N 3.4Å; L368-A371 PolarHBondContact O-N 2.87Å; V369-A371 VanDerWaalsContact C-N 3.35Å; V369-A371 PolarHBondContact O-N 3.45Å; A371-C375 WeakPolarHBondContact O-CA 3.31Å; A371-C375 VanDerWaalsContact O-CB 3.22Å; A371-C375 WeakPolarHBondContact O-CB 3.43Å; A371-C375 PolarHBondContact O-N 2.88Å; A371-F376 HydrophobicContact CB-CE2 4.35Å; A371-F376 PolarHBondContact O-N 2.9Å; A371-F376 VanDerWaalsContact O-N 3.16Å
372I84.9Confident81.3Confident67 Ų6740.1 Ų40.134%0.34421%0.208SC..Iπ-helixtrans-63.8-47.2177.8-68.2168.3000111.1L368 V369 V370 F376 L377L368-I372 HydrophobicContact CD1-CD1 4.03Å; L368-I372 HydrophobicContact CD1-CG1 4.42Å; L368-I372 HydrophobicContact CG-CD1 3.97Å; L368-I372 VanDerWaalsContact O-CG1 3.32Å; L368-I372 WeakPolarHBondContact O-CG1 3.38Å; L368-I372 PolarHBondContact O-N 2.88Å; V369-I372 PolarHBondContact O-N 3.32Å; V370-I372 PolarHBondContact O-N 3.2Å; I372-F376 HydrophobicContact CG1-CD2 4.07Å; I372-F376 PolarHBondContact O-N 3.37Å; I372-L377 HydrophobicContact CG2-CD1 3.71Å; I372-L377 HydrophobicContact CG2-CG 3.88Å; I372-L377 WeakPolarHBondContact O-CB 3.49Å; I372-L377 WeakPolarHBondContact O-CG 3.4Å; I372-L377 PolarHBondContact O-N 2.78Å
373L80.1Confident82Confident19 Ų1938 Ų3810%0.09920%0.202CC..Iπ-helixtrans-70.5-52-176.2-65.8176.6000112.4L333 L334 V369 V370 L377L333-L373 HydrophobicContact CB-CD1 4.07Å; L333-L373 HydrophobicContact CB-CD2 4.41Å; L333-L373 HydrophobicContact CD1-CD2 4.44Å; L334-L373 HydrophobicContact CD1-CD1 3.85Å; V369-L373 HydrophobicContact CG1-CD1 3.78Å; V369-L373 HydrophobicContact CG1-CG 4.27Å; V369-L373 WeakPolarHBondContact O-CG 3.41Å; V369-L373 PolarHBondContact O-N 2.98Å; V370-L373 PolarHBondContact O-N 2.95Å; L373-L377 HydrophobicContact CD2-CD1 4.2Å
374Y78.8Confident82.7Confident40 Ų4039 Ų3916%0.15721%0.205CC..Iπ-helixtrans-84-25-172-70.5-59.4000114.2H166 F170 E224 L334 L337 V370 N378H166-Y374 AromaticContact CE1-CD1 3.63Å; H166-Y374 AromaticContact CE1-CE1 3.51Å; H166-Y374 AromaticContact CE1-CZ 3.97Å; H166-Y374 AromaticContact ND1-CD1 3.98Å; F170-Y374 HydrophobicContact CE1-CD2 4.4Å; E224-Y374 VanDerWaalsContact CD-OH 3.28Å; E224-Y374 VanDerWaalsContact OE1-CE2 3.24Å; E224-Y374 WeakPolarHBondContact OE1-CE2 3.42Å; E224-Y374 PolarHBondContact OE1-OH 3.07Å; E224-Y374 VanDerWaalsContact OE1-OH 3.06Å; E224-Y374 PolarHBondContact OE2-OH 2.88Å; L334-Y374 HydrophobicContact CD1-CE2 4.35Å; L337-Y374 HydrophobicContact CD2-CE2 3.87Å; V370-Y374 HydrophobicContact CG1-CD2 3.78Å; V370-Y374 HydrophobicContact CG1-CE2 4.26Å; V370-Y374 PolarHBondContact O-N 3.39Å; Y374-N378 VanDerWaalsContact O-CB 3.3Å; Y374-N378 WeakPolarHBondContact O-CB 3.47Å; Y374-N378 PolarHBondContact O-ND2 2.94Å
375C84.4Confident82.9Confident0 Ų042.2 Ų42.20%022%0.222CC..Iπ-helixtrans-109.2-62.3-179.8-170.60000112.6G148 F170 A371 N378 V381G148-C375 VanDerWaalsContact CA-SG 3.54Å; F170-C375 HydrophobicContact CE2-CB 4.17Å; F170-C375 HydrophobicContact CZ-CB 4.32Å; A371-C375 WeakPolarHBondContact O-CA 3.31Å; A371-C375 VanDerWaalsContact O-CB 3.22Å; A371-C375 WeakPolarHBondContact O-CB 3.43Å; A371-C375 PolarHBondContact O-N 2.88Å; C375-N378 PolarHBondContact O-N 3.48Å; C375-V381 WeakPolarHBondContact O-CB 3.47Å; C375-V381 WeakPolarHBondContact O-CG1 2.98Å
376F82.4Confident83.1Confident71 Ų7144.6 Ų44.631%0.31123%0.232SC..Iπ-helixtrans-74.2-34.9-168.8-62.5-57000114.4A144 T147 I151 A371 I372 Q382A144-F376 HydrophobicContact CB-CE2 4.31Å; T147-F376 HydrophobicContact CG2-CE1 4.4Å; T147-F376 HydrophobicContact CG2-CZ 4.26Å; I151-F376 HydrophobicContact CD1-CE1 4.06Å; A371-F376 HydrophobicContact CB-CE2 4.35Å; A371-F376 PolarHBondContact O-N 2.9Å; A371-F376 VanDerWaalsContact O-N 3.16Å; I372-F376 HydrophobicContact CG1-CD2 4.07Å; I372-F376 PolarHBondContact O-N 3.37Å; F376-Q382 WeakPolarHBondContact O-CG 3.31Å; F376-Q382 PolarHBondContact O-NE2 3.36Å
377L79.3Confident83.1Confident103 Ų10350.4 Ų50.454%0.53925%0.254SS..SBendtrans-90.9-3.6177.8-66.2-179.5000113.4I372 L373 S379I372-L377 HydrophobicContact CG2-CD1 3.71Å; I372-L377 HydrophobicContact CG2-CG 3.88Å; I372-L377 WeakPolarHBondContact O-CB 3.49Å; I372-L377 WeakPolarHBondContact O-CG 3.4Å; I372-L377 PolarHBondContact O-N 2.78Å; L373-L377 HydrophobicContact CD2-CD1 4.2Å; L377-S379 PolarHBondContact O-N 3.1Å
378N81Confident82.9Confident29 Ų2956.6 Ų56.616%0.15528%0.281CS..  trans-70.6120.4178.6-172.2-23.9000110.2Y374 C375 E380 V381 Q382Y374-N378 VanDerWaalsContact O-CB 3.3Å; Y374-N378 WeakPolarHBondContact O-CB 3.47Å; Y374-N378 PolarHBondContact O-ND2 2.94Å; C375-N378 PolarHBondContact O-N 3.48Å; N378-E380 PolarHBondContact O-N 3.12Å; N378-E380 WeakPolarHBondContact OD1-CB 3.31Å; N378-E380 PolarHBondContact OD1-N 2.96Å; N378-E380 VanDerWaalsContact OD1-N 3.07Å; N378-V381 HydrophobicContact CB-CB 4.19Å; N378-V381 HydrophobicContact CB-CG2 3.82Å; N378-V381 PolarHBondContact O-N 3.45Å; N378-V381 VanDerWaalsContact O-N 3.15Å; N378-Q382 WeakPolarHBondContact O-CG 3.36Å; N378-Q382 PolarHBondContact O-N 3.32Å
379S75.8Confident82.9Confident91 Ų9163 Ų6364%0.63630%0.302SS*.Hα-helixtrans-62.9-30-176.854.30000113L377 G383L377-S379 PolarHBondContact O-N 3.1Å; S379-G383 PolarHBondContact O-N 3.29Å
380E81.7Confident82.9Confident82 Ų8268.2 Ų68.238%0.38332%0.316SS..Hα-helixtrans-64.9-48174.2-65.7172.5-154.400110.5L158 R162 N378 G383 E384L158-E380 HydrophobicContact CD2-CB 4.32Å; R162-E380 IonicContact CZ-OE1 3.82Å; R162-E380 IonicContact NH1-OE1 3.95Å; R162-E380 IonicContact NH2-OE1 2.79Å; R162-E380 PolarHBondContact NH2-OE1 3.37Å; R162-E380 IonicContact NH2-OE2 2.97Å; R162-E380 PolarHBondContact NH2-OE2 2.88Å; N378-E380 PolarHBondContact O-N 3.12Å; N378-E380 WeakPolarHBondContact OD1-CB 3.31Å; N378-E380 PolarHBondContact OD1-N 2.96Å; N378-E380 VanDerWaalsContact OD1-N 3.07Å; E380-G383 PolarHBondContact O-N 3.17Å; E380-E384 PolarHBondContact O-N 3.26Å
381V82.6Confident82.8Confident1 Ų171.1 Ų71.11%0.00634%0.337CS..Hα-helixtrans-65.1-46.3179.3-178.30000110.7I151 L152 L158 C375 N378 G383 E384 L385I151-V381 HydrophobicContact CG2-CG1 3.75Å; L152-V381 HydrophobicContact CD2-CG2 4.25Å; L158-V381 HydrophobicContact CD1-CG2 4.04Å; C375-V381 WeakPolarHBondContact O-CB 3.47Å; C375-V381 WeakPolarHBondContact O-CG1 2.98Å; N378-V381 HydrophobicContact CB-CB 4.19Å; N378-V381 HydrophobicContact CB-CG2 3.82Å; N378-V381 PolarHBondContact O-N 3.45Å; N378-V381 VanDerWaalsContact O-N 3.15Å; V381-G383 VanDerWaalsContact C-N 3.26Å; V381-G383 PolarHBondContact O-N 3.08Å; V381-E384 PolarHBondContact O-N 3.04Å; V381-L385 HydrophobicContact CG1-CD1 4Å; V381-L385 HydrophobicContact CG1-CG 4.5Å; V381-L385 WeakPolarHBondContact O-CB 3.3Å; V381-L385 WeakPolarHBondContact O-CG 3.02Å; V381-L385 PolarHBondContact O-N 3.08Å
382Q83.4Confident82.5Confident94 Ų9475.8 Ų75.844%0.43936%0.36SS..Hα-helixtrans-60-38.1175-70.3-176.2-1.600111.8F376 N378 K386F376-Q382 WeakPolarHBondContact O-CG 3.31Å; F376-Q382 PolarHBondContact O-NE2 3.36Å; N378-Q382 WeakPolarHBondContact O-CG 3.36Å; N378-Q382 PolarHBondContact O-N 3.32Å; Q382-K386 WeakPolarHBondContact O-CB 2.98Å; Q382-K386 PolarHBondContact O-N 3.02Å
383G81.9Confident82.4Confident23 Ų2375.2 Ų75.224%0.23736%0.361CS..Hα-helixtrans-61.5-49.9175.600000112.3S379 E380 V381 K386 R387S379-G383 PolarHBondContact O-N 3.29Å; E380-G383 PolarHBondContact O-N 3.17Å; V381-G383 VanDerWaalsContact C-N 3.26Å; V381-G383 PolarHBondContact O-N 3.08Å; G383-K386 PolarHBondContact O-N 3.18Å; G383-R387 VanDerWaalsContact O-CG 3.3Å; G383-R387 WeakPolarHBondContact O-CG 3.19Å; G383-R387 PolarHBondContact O-N 3.3Å
384E85.5Confident82.1Confident27 Ų2780.2 Ų80.213%0.12639%0.388CS..Hα-helixtrans-66.4-41.9178-66.3-61.5168.900112.3L158 E380 V381 K386 R387 K388L158-E384 HydrophobicContact CD2-CG 3.94Å; L158-E384 HydrophobicContact CG-CG 4.27Å; E380-E384 PolarHBondContact O-N 3.26Å; V381-E384 PolarHBondContact O-N 3.04Å; E384-K386 VanDerWaalsContact C-N 3.35Å; E384-K386 PolarHBondContact O-N 3.39Å; E384-R387 PolarHBondContact O-N 3.41Å; E384-R387 IonicContact OE1-CZ 2.62Å; E384-R387 IonicContact OE1-NH1 3.02Å; E384-R387 PolarHBondContact OE1-NH1 3.26Å; E384-R387 IonicContact OE1-NH2 3.73Å; E384-R387 IonicContact OE2-CZ 2.66Å; E384-R387 IonicContact OE2-NH1 3.58Å; E384-R387 PolarHBondContact OE2-NH1 3.46Å; E384-K388 WeakPolarHBondContact O-CB 3.44Å; E384-K388 PolarHBondContact O-N 3.46Å
385L83.6Confident81.8Confident69 Ų6983 Ų8336%0.36141%0.405SS..Hα-helixtrans-59.4-46.1174.4-79.9169.1000111.1F155 V381 R387 K388 W389F155-L385 HydrophobicContact CE2-CD2 4Å; F155-L385 HydrophobicContact CZ-CD2 4.05Å; V381-L385 HydrophobicContact CG1-CD1 4Å; V381-L385 HydrophobicContact CG1-CG 4.5Å; V381-L385 WeakPolarHBondContact O-CB 3.3Å; V381-L385 WeakPolarHBondContact O-CG 3.02Å; V381-L385 PolarHBondContact O-N 3.08Å; L385-R387 VanDerWaalsContact C-N 3.34Å; L385-R387 PolarHBondContact O-N 3.36Å; L385-K388 PolarHBondContact O-N 2.91Å; L385-W389 VanDerWaalsContact O-CB 3.26Å; L385-W389 WeakPolarHBondContact O-CB 3.45Å; L385-W389 PolarHBondContact O-N 2.9Å
386K85.6Confident81.2Confident123 Ų12386.8 Ų86.854%0.53543%0.43SS..Hα-helixtrans-64-38.4177.8-171.6175-173.3177.20112Q382 G383 E384 R390Q382-K386 WeakPolarHBondContact O-CB 2.98Å; Q382-K386 PolarHBondContact O-N 3.02Å; G383-K386 PolarHBondContact O-N 3.18Å; E384-K386 VanDerWaalsContact C-N 3.35Å; E384-K386 PolarHBondContact O-N 3.39Å; K386-R390 VanDerWaalsContact CE-NH2 3.33Å; K386-R390 WeakPolarHBondContact O-CB 3.36Å; K386-R390 VanDerWaalsContact O-CG 3.25Å; K386-R390 WeakPolarHBondContact O-CG 3.42Å; K386-R390 PolarHBondContact O-N 3.1Å
387R84.6Confident80.5Confident128 Ų12889.6 Ų89.648%0.48344%0.444SS..Hα-helixtrans-65.5-46.1175.1-74-178.2-137.5150.4-0.3111.6G383 E384 L385 R390 S391G383-R387 VanDerWaalsContact O-CG 3.3Å; G383-R387 WeakPolarHBondContact O-CG 3.19Å; G383-R387 PolarHBondContact O-N 3.3Å; E384-R387 PolarHBondContact O-N 3.41Å; E384-R387 IonicContact OE1-CZ 2.62Å; E384-R387 IonicContact OE1-NH1 3.02Å; E384-R387 PolarHBondContact OE1-NH1 3.26Å; E384-R387 IonicContact OE1-NH2 3.73Å; E384-R387 IonicContact OE2-CZ 2.66Å; E384-R387 IonicContact OE2-NH1 3.58Å; E384-R387 PolarHBondContact OE2-NH1 3.46Å; L385-R387 VanDerWaalsContact C-N 3.34Å; L385-R387 PolarHBondContact O-N 3.36Å; R387-R390 PolarHBondContact O-N 3.06Å; R387-S391 WeakPolarHBondContact O-CB 3.41Å; R387-S391 PolarHBondContact O-N 2.9Å
388K83.3Confident79.9Confident131 Ų13189.4 Ų89.457%0.5744%0.443SS*.Hα-helixtrans-64.6-41.7177.5-166.170.3174.8-174.70111.3F155 E384 L385 S391 M392F155-K388 HydrophobicContact CE1-CB 4.17Å; F155-K388 HydrophobicContact CE1-CG 4.2Å; E384-K388 WeakPolarHBondContact O-CB 3.44Å; E384-K388 PolarHBondContact O-N 3.46Å; L385-K388 PolarHBondContact O-N 2.91Å; K388-S391 PolarHBondContact O-N 2.93Å; K388-M392 WeakPolarHBondContact O-CB 3.39Å; K388-M392 PolarHBondContact O-N 2.91Å
389W85.4Confident79.2Confident176 Ų17691.2 Ų91.267%0.66746%0.458SS*.Hα-helixtrans-60.4-46174.4-174-87.9000112L385 M392 C393L385-W389 VanDerWaalsContact O-CB 3.26Å; L385-W389 WeakPolarHBondContact O-CB 3.45Å; L385-W389 PolarHBondContact O-N 2.9Å; W389-M392 HydrophobicContact CE3-CE 3.97Å; W389-M392 HydrophobicContact CZ3-CE 4.09Å; W389-M392 PolarHBondContact O-N 3.46Å; W389-C393 WeakPolarHBondContact O-CB 3.33Å; W389-C393 PolarHBondContact O-N 2.76Å
390R85.1Confident78.7Confident158 Ų15896.2 Ų96.260%0.59646%0.463SS*.Hα-helixtrans-60.8-45.1175.4-77173.9176.8-171.1-4.4112K386 R387 C393 L394K386-R390 VanDerWaalsContact CE-NH2 3.33Å; K386-R390 WeakPolarHBondContact O-CB 3.36Å; K386-R390 VanDerWaalsContact O-CG 3.25Å; K386-R390 WeakPolarHBondContact O-CG 3.42Å; K386-R390 PolarHBondContact O-N 3.1Å; R387-R390 PolarHBondContact O-N 3.06Å; R390-C393 PolarHBondContact O-N 3.22Å; R390-L394 WeakPolarHBondContact O-CB 3.44Å; R390-L394 PolarHBondContact O-N 2.93Å
391S82.9Confident77.7Confident61 Ų6195.2 Ų95.243%0.42747%0.469SS..Hα-helixtrans-62.9-41.2176.9175.10000112.1R387 K388 N395R387-S391 WeakPolarHBondContact O-CB 3.41Å; R387-S391 PolarHBondContact O-N 2.9Å; K388-S391 PolarHBondContact O-N 2.93Å; S391-N395 WeakPolarHBondContact O-CB 3.4Å; S391-N395 PolarHBondContact O-N 2.02Å
392M80.9Confident76.5Confident98 Ų98102.2 Ų102.248%0.48350%0.495SS..Hα-helixtrans-69.7-42.8177-171.917470.500112K388 W389 L394 N395 C396K388-M392 WeakPolarHBondContact O-CB 3.39Å; K388-M392 PolarHBondContact O-N 2.91Å; W389-M392 HydrophobicContact CE3-CE 3.97Å; W389-M392 HydrophobicContact CZ3-CE 4.09Å; W389-M392 PolarHBondContact O-N 3.46Å; M392-L394 VanDerWaalsContact C-N 3.35Å; M392-L394 PolarHBondContact O-N 2.76Å; M392-N395 PolarHBondContact O-N 2.86Å; M392-C396 WeakPolarHBondContact O-CB 3.36Å; M392-C396 PolarHBondContact O-N 3.26Å; M392-C396 PolarHBondContact O-SG 3.08Å; M392-C396 VanDerWaalsContact O-SG 3.37Å
393C81.9Confident75.3Confident55 Ų55103.8 Ų103.837%0.37250%0.502SS..Hα-helixtrans-59.7-45.5174.6-172.80000110.8W389 R390 N395 C396 H397W389-C393 WeakPolarHBondContact O-CB 3.33Å; W389-C393 PolarHBondContact O-N 2.76Å; R390-C393 PolarHBondContact O-N 3.22Å; C393-N395 PolarHBondContact O-N 2.9Å; C393-C396 PolarHBondContact O-N 2.85Å; C393-H397 PolarHBondContact O-CD2 2.86Å; C393-H397 VanDerWaalsContact O-CD2 3.28Å; C393-H397 PolarHBondContact O-N 3.27Å
394L73.6Confident74.2Confident125 Ų125109.5 Ų109.565%0.65452%0.521SS*.Hα-helixtrans-62-42.9176.1-162.475.5000111.8R390 M392 H397 L398R390-L394 WeakPolarHBondContact O-CB 3.44Å; R390-L394 PolarHBondContact O-N 2.93Å; M392-L394 VanDerWaalsContact C-N 3.35Å; M392-L394 PolarHBondContact O-N 2.76Å; L394-H397 PolarHBondContact O-N 2.72Å; L394-L398 WeakPolarHBondContact O-CB 3.42Å; L394-L398 PolarHBondContact O-N 3.41Å
395N73.3Confident72.8Confident98 Ų98111.9 Ų111.952%0.52454%0.54SS..Hα-helixtrans-65.8-38.4175.1-88.1-2.1000113S391 M392 C393 L398 S399S391-N395 WeakPolarHBondContact O-CB 3.4Å; S391-N395 PolarHBondContact O-N 2.02Å; M392-N395 PolarHBondContact O-N 2.86Å; C393-N395 PolarHBondContact O-N 2.9Å; N395-L398 PolarHBondContact O-N 3.13Å; N395-S399 VanDerWaalsContact O-CB 3.27Å; N395-S399 WeakPolarHBondContact O-CB 3.26Å; N395-S399 PolarHBondContact O-N 3.48Å
396C71.1Confident71.5Confident79 Ų79114.1 Ų114.153%0.53455%0.553SS.*Hα-helixtrans-64.1-43.2174.2-76.70000111.3M392 C393 S399 R400M392-C396 WeakPolarHBondContact O-CB 3.36Å; M392-C396 PolarHBondContact O-N 3.26Å; M392-C396 PolarHBondContact O-SG 3.08Å; M392-C396 VanDerWaalsContact O-SG 3.37Å; C393-C396 PolarHBondContact O-N 2.85Å; C396-S399 PolarHBondContact O-N 2.83Å; C396-R400 WeakPolarHBondContact O-CB 2.99Å; C396-R400 PolarHBondContact O-N 2.93Å
397H68Low69.9Low131 Ų131113.1 Ų113.161%0.60655%0.553SS**Hα-helixtrans-62-44.9173.8-88.2-84000112C393 L394 S399 R400 A401C393-H397 PolarHBondContact O-CD2 2.86Å; C393-H397 VanDerWaalsContact O-CD2 3.28Å; C393-H397 PolarHBondContact O-N 3.27Å; L394-H397 PolarHBondContact O-N 2.72Å; H397-S399 PolarHBondContact O-N 2.92Å; H397-R400 PolarHBondContact O-N 3.17Å; H397-A401 WeakPolarHBondContact O-CB 3.05Å; H397-A401 PolarHBondContact O-N 3.24Å
398L65.8Low68.4Low98 Ų98113.3 Ų113.351%0.51356%0.558SS.*Hα-helixtrans-66.8-35.2177.6-157.389.8000112.5L394 N395 R402L394-L398 WeakPolarHBondContact O-CB 3.42Å; L394-L398 PolarHBondContact O-N 3.41Å; N395-L398 PolarHBondContact O-N 3.13Å; L398-R402 WeakPolarHBondContact O-CG 3.33Å; L398-R402 PolarHBondContact O-N 2.62Å; L398-R402 PolarHBondContact O-NE 2.97Å
399S66.7Low66.9Low67 Ų67110.3 Ų110.347%0.46956%0.557SS.*Hα-helixtrans-67.5-41.5174.3-165.90000111.6N395 C396 H397 R402 H403N395-S399 VanDerWaalsContact O-CB 3.27Å; N395-S399 WeakPolarHBondContact O-CB 3.26Å; N395-S399 PolarHBondContact O-N 3.48Å; C396-S399 PolarHBondContact O-N 2.83Å; H397-S399 PolarHBondContact O-N 2.92Å; S399-R402 PolarHBondContact O-N 3.15Å; S399-H403 PolarHBondContact O-N 2.81Å
400R65Low65.2Low197 Ų197106.9 Ų106.974%0.74356%0.56SS**Hα-helixtrans-67.8-37.9176.6-162.6172.4-173.21741.5112C396 H397 H403 F404C396-R400 WeakPolarHBondContact O-CB 2.99Å; C396-R400 PolarHBondContact O-N 2.93Å; H397-R400 PolarHBondContact O-N 3.17Å; R400-H403 PolarHBondContact O-N 2.76Å; R400-F404 PolarHBondContact O-N 2.84Å
401A61.5Low63.5Low60 Ų60109.7 Ų109.750%0.49657%0.571SS.*Hα-helixtrans-64.9-43174.100000112.3H397 H403 F404 S405H397-A401 WeakPolarHBondContact O-CB 3.05Å; H397-A401 PolarHBondContact O-N 3.24Å; A401-H403 VanDerWaalsContact C-N 3.34Å; A401-H403 PolarHBondContact O-N 2.04Å; A401-F404 PolarHBondContact O-N 3.17Å; A401-S405 WeakPolarHBondContact O-CB 3.4Å; A401-S405 PolarHBondContact O-N 2.92Å
402R56.3Low61.7Low149 Ų149112.3 Ų112.356%0.56258%0.58SS**Hα-helixtrans-61.7-39.6173.7-80.7-176.8-72.7171.1-2.1112.6L398 S399 F404 S405 N406L398-R402 WeakPolarHBondContact O-CG 3.33Å; L398-R402 PolarHBondContact O-N 2.62Å; L398-R402 PolarHBondContact O-NE 2.97Å; S399-R402 PolarHBondContact O-N 3.15Å; R402-F404 VanDerWaalsContact C-N 3.35Å; R402-F404 PolarHBondContact O-N 3.1Å; R402-S405 PolarHBondContact O-N 3.03Å; R402-N406 PolarHBondContact O-N 2.92Å
403H59.2Low59.9Low126 Ų126111.2 Ų111.258%0.58359%0.594SS**Hα-helixtrans-67.4-34.5176.8-161.5-65.7000112.6S399 R400 A401 N407S399-H403 PolarHBondContact O-N 2.81Å; R400-H403 PolarHBondContact O-N 2.76Å; A401-H403 VanDerWaalsContact C-N 3.34Å; A401-H403 PolarHBondContact O-N 2.04Å; H403-N407 PolarHBondContact O-N 2.83Å
404F58.4Low58.1Low144 Ų144113.3 Ų113.363%0.63261%0.609SS**Hα-helixtrans-72.9-39.1176-137.4-91.1000112.1R400 A401 R402 N407 F408R400-F404 PolarHBondContact O-N 2.84Å; A401-F404 PolarHBondContact O-N 3.17Å; R402-F404 VanDerWaalsContact C-N 3.35Å; R402-F404 PolarHBondContact O-N 3.1Å; F404-N407 PolarHBondContact O-N 3.22Å; F404-F408 PolarHBondContact O-N 2.89Å
405S57.1Low56.8Low77 Ų77115.9 Ų115.954%0.53862%0.618SS.*Hα-helixtrans-65.6-39.2176.3-177.50000112.4A401 R402 F408 A409A401-S405 WeakPolarHBondContact O-CB 3.4Å; A401-S405 PolarHBondContact O-N 2.92Å; R402-S405 PolarHBondContact O-N 3.03Å; S405-F408 PolarHBondContact O-N 3.19Å; S405-A409 WeakPolarHBondContact O-CB 3.5Å; S405-A409 PolarHBondContact O-N 3.33Å
406N54.8Low55Low116 Ų116120.2 Ų120.262%0.6264%0.635SS**Hα-helixtrans-66.2-36.4174.3-79.91.2000112.9R402 F408 S410R402-N406 PolarHBondContact O-N 2.92Å; N406-F408 VanDerWaalsContact C-N 3.34Å; N406-S410 WeakPolarHBondContact O-CB 3.38Å; N406-S410 PolarHBondContact O-N 2.9Å; N406-S410 VanDerWaalsContact O-N 3.09Å
407N53.2Low53.3Low102 Ų102125.4 Ų125.455%0.54565%0.654SS.*Hα-helixtrans-70.5-28.3175.1-87.71.2000113.2H403 F404H403-N407 PolarHBondContact O-N 2.83Å; F404-N407 PolarHBondContact O-N 3.22Å
408F52.7Low51.7Low132 Ų132126.8 Ų126.858%0.57966%0.662SS**Hα-helixtrans-81-38.7175.3-127.4-90.9000112F404 S405 N406 S410 R411 N412F404-F408 PolarHBondContact O-N 2.89Å; S405-F408 PolarHBondContact O-N 3.19Å; N406-F408 VanDerWaalsContact C-N 3.34Å; F408-S410 VanDerWaalsContact C-N 3.28Å; F408-S410 PolarHBondContact O-N 2.88Å; F408-R411 PolarHBondContact O-N 3.09Å; F408-R411 VanDerWaalsContact O-N 3.1Å; F408-N412 PolarHBondContact O-N 2.72Å
409A52.2Low50.3Low68 Ų68129.8 Ų129.856%0.56267%0.674SS**Hα-helixtrans-64.7-31.5174.800000112.5S405 R411S405-A409 WeakPolarHBondContact O-CB 3.5Å; S405-A409 PolarHBondContact O-N 3.33Å; A409-R411 VanDerWaalsContact C-N 3.25Å; A409-R411 PolarHBondContact O-N 3.5Å
410S49.4Very low48.5Very low104 Ų104136.6 Ų136.673%0.72770%0.695SS**THydrogen-bonded Turntrans-72.6-13.8173.9-173.70000113.9N406 F408N406-S410 WeakPolarHBondContact O-CB 3.38Å; N406-S410 PolarHBondContact O-N 2.9Å; N406-S410 VanDerWaalsContact O-N 3.09Å; F408-S410 VanDerWaalsContact C-N 3.28Å; F408-S410 PolarHBondContact O-N 2.88Å
411R48.6Very low46.9Very low216 Ų216135.8 Ų135.882%0.81570%0.7SS**THydrogen-bonded Turntrans-107.3-13-172.9-162.6162.7156.5173.5-7114.1F408 A409F408-R411 PolarHBondContact O-N 3.09Å; F408-R411 VanDerWaalsContact O-N 3.1Å; A409-R411 VanDerWaalsContact C-N 3.25Å; A409-R411 PolarHBondContact O-N 3.5Å
412N45.7Very low45.5Very low117 Ų117144.5 Ų144.563%0.62672%0.72SS**SBendtrans-115.220.4174-77.88.4000113.1F408 S414F408-N412 PolarHBondContact O-N 2.72Å; N412-S414 PolarHBondContact O-N 3.39Å; N412-S414 VanDerWaalsContact O-N 3.12Å
413G43.8Very low44.1Very low75 Ų75142.5 Ų142.577%0.77373%0.729SS**  trans-80.129-179.300000115.7
414S44.4Very low43Very low99 Ų99141.9 Ų141.969%0.69274%0.739SS**SBendtrans-136.2119.7165.455.90000107.6N412N412-S414 PolarHBondContact O-N 3.39Å; N412-S414 VanDerWaalsContact O-N 3.12Å
415E46.1Very low41.7Very low178 Ų178146.1 Ų146.183%0.83275%0.75SS**SBendtrans85.781.5-178.4-50.2-161.4154.100116.3
416Q34.5Very low40.8Very low189 Ų189147 Ų14788%0.88376%0.763SS**  173101.2104.5-89.6178.25.500108.9
417M35.9Very low39.7Very low189 Ų189150.6 Ų150.693%0.93178%0.776SS**  trans-76.9115.5161.6-179159.689.900107.2
418M33.5Very low38.6Very low160 Ų160150.3 Ų150.379%0.78878%0.782SS**  trans-179113.2145.2-90.6-102.4-145.400110.9
419Q37.6Very low37.7Very low160 Ų160151.1 Ų151.175%0.74879%0.791SS**  trans75.798.9130-142160.77.900118.3
420F28Very low36.7Very low211 Ų211154.9 Ų154.993%0.92580%0.801SS**  -160.3120.1119.1-128.1-96.4000111.4
421Q32.6Very low36Very low180 Ų180158 Ų15884%0.84180%0.804SS**  trans-95.4161175-166.2176.6-14.400108.8
422R31.1Very low35.1Very low242 Ų242152.8 Ų152.891%0.91380%0.8SS**  trans87.4130.6171.5-118169.6-176.1162.80.9114.6
423S26.7Very low34.5Very low107 Ų107155.6 Ų155.675%0.74881%0.809SS**  cis-157.2136.923.6-176.80000111.1
424S37.3Very low34Very low113 Ų113157.4 Ų157.479%0.7981%0.806SS**  trans-59140.2157.4-89.50000111.3
425R29.6Very low33.4Very low233 Ų233158.6 Ų158.688%0.87981%0.809SS**  trans-164.4113.3133.4-124.6176.2180165-0.6110.8
426A39.3Very low32.7Very low97 Ų97156.1 Ų156.180%0.80281%0.806SS**  trans-68.5150.7158.200000109.5
427Q32.2Very low32.5Very low191 Ų191158.7 Ų158.789%0.89382%0.824SS**  trans-143.5126.4159.6-113.2172.9-11.300110.8
428S29.9Very low32.3Very low96 Ų96157.2 Ų157.267%0.67182%0.819SS**  trans-117.4148.9178.958.80000108.8
429I33.2Very low32.2Very low149 Ų149157 Ų15776%0.76482%0.82SS**  trans86.5129.1142.2-68160.2000120.2
430L30.9Very low31.9Very low147 Ų147156.8 Ų156.877%0.7782%0.824SS**  trans72.7105149.9-111.865.1000124
431Q34.5Very low32.2Very low170 Ų170153.6 Ų153.679%0.79482%0.819SS**  32.4118.3106-141.7174.1-3.800122
432S30.9Very low32.1Very low106 Ų106152 Ų15274%0.74182%0.817SS**  trans160112.6134.3-79.60000108.6
433E33.1Very low32.2Very low175 Ų175146 Ų14682%0.81881%0.811SS**  73.2138.494.5-99.4-166.5163.900116.5
434T33.9Very low32.6Very low113 Ų113148.8 Ų148.869%0.69382%0.815SS**  trans83.7104.815545.60000122.6
435T30.1Very low32.2Very low124 Ų124151.5 Ų151.576%0.76182%0.817SS**  80.8135.8117.262.30000123.7
436V31.4Very low32.5Very low127 Ų127144.8 Ų144.877%0.7781%0.812SS**  trans69.6107.1153.5-139.70000119.7
437L30.2Very low31.8Very low242 Ų242149.1 Ų149.1100%1.26781%0.813SS**  -163.60106.1-110.9154.4000111.1

Retrieved 437 of 437 residues in 133.1 ms (Link to these results)