A0A5K4F327_SCHMA Loading...

Calponin-homology (CH) domain-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F327, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 320 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M37.2Very low41.9Very low248 Ų248142.6 Ų142.6100%1.22280%0.804SS**  082.90-163-176.1-74.400104.1
2E41.4Very low42Very low193 Ų193136.5 Ų136.590%0.90277%0.767SS**  trans-93.2131.7-177-76.7178.6148.600108.3
3D40.7Very low41.6Very low126 Ų126130.5 Ų130.567%0.67475%0.754SS**  trans-74.2119.3-172-146.6-18.4000109.6L5D3-L5 PolarHBondContact O-N 2.96Å
4P47.5Very low41.9Very low127 Ų127130 Ų13083%0.82575%0.754SS**THydrogen-bonded Turntrans-74.617.8-166.228.3-35.3000115.7
5L43.9Very low42.5Very low154 Ų154129.7 Ų129.781%0.80675%0.749SS**THydrogen-bonded Turntrans-1114.5-177.2-82160.1000114.7D3 P7D3-L5 PolarHBondContact O-N 2.96Å; L5-P7 WeakPolarHBondContact O-CD 3.47Å
6L37.4Very low42.8Very low150 Ų150123.9 Ų123.979%0.78573%0.726SS**SBendtrans-86.8118.4171-82.6150.9000109.8A8L6-A8 PolarHBondContact O-N 3.32Å
7P43.4Very low43.4Very low104 Ų104123.5 Ų123.568%0.67571%0.71SS**PPolyproline II helixtrans-60.2136175.323.9-30.6000109.3L5L5-P7 WeakPolarHBondContact O-CD 3.47Å
8A43.9Very low44.5Very low85 Ų85124.6 Ų124.670%0.70271%0.708SS**PPolyproline II helixtrans-51.6132.6-176.200000110.9L6 V10L6-A8 PolarHBondContact O-N 3.32Å; A8-V10 PolarHBondContact O-N 3.18Å; A8-V10 VanDerWaalsContact O-N 3.16Å
9P40.6Very low46Very low123 Ų123118.4 Ų118.480%0.79967%0.673SS**PPolyproline II helixtrans-63.2120.2177.124.2-30.4000109D11P9-D11 PolarHBondContact O-N 3.05Å
10V44.2Very low47.6Very low94 Ų94115 Ų11557%0.5766%0.66SS**PPolyproline II helixtrans-66.5121.4174.6-175.90000107.7A8 L12 Y17A8-V10 PolarHBondContact O-N 3.18Å; A8-V10 VanDerWaalsContact O-N 3.16Å; V10-L12 HydrophobicContact CB-CD1 4.47Å; V10-L12 HydrophobicContact CB-CG 4.43Å; V10-L12 HydrophobicContact CG1-CD1 4.36Å; V10-L12 HydrophobicContact CG1-CD2 4.25Å; V10-L12 HydrophobicContact CG1-CG 4Å; V10-L12 PolarHBondContact O-N 3.23Å; V10-Y17 PolarHBondContact O-OH 3.46Å
11D40.4Very low49.3Very low165 Ų165114.5 Ų114.588%0.88265%0.652SS**  trans-69.494.8-179.5-166.112.5000109.5P9P9-D11 PolarHBondContact O-N 3.05Å
12L43Very low51.1Low69 Ų69104.3 Ų104.336%0.36161%0.61SS.*  trans-113.6123.9180-67.2166.4000107.4V10 Y17 M27V10-L12 HydrophobicContact CB-CD1 4.47Å; V10-L12 HydrophobicContact CB-CG 4.43Å; V10-L12 HydrophobicContact CG1-CD1 4.36Å; V10-L12 HydrophobicContact CG1-CD2 4.25Å; V10-L12 HydrophobicContact CG1-CG 4Å; V10-L12 PolarHBondContact O-N 3.23Å; L12-Y17 HydrophobicContact CB-CE2 4.09Å; L12-Y17 WeakPolarHBondContact O-CE2 3.38Å; L12-M27 HydrophobicContact CD1-CE 3.96Å; L12-M27 HydrophobicContact CD1-SD 4.21Å
13G37.7Very low53Low58 Ų5899.5 Ų99.560%0.59859%0.588SS**  trans-47.3150.7179.700000112.9D15 G16G13-D15 PolarHBondContact O-N 3.26Å; G13-G16 PolarHBondContact O-N 3.08Å
14T46Very low55Low124 Ų12497.7 Ų97.776%0.76158%0.575SS**THydrogen-bonded Turntrans-52.2-20.7-167.537.10000116.3
15D49.7Very low56.7Low125 Ų12597.5 Ų97.567%0.66856%0.558SS**THydrogen-bonded Turntrans-83.2-13.7179.5-65.5-22.9000113.7G13 Y17G13-D15 PolarHBondContact O-N 3.26Å; D15-Y17 VanDerWaalsContact C-N 3.31Å; D15-Y17 PolarHBondContact O-N 3.33Å
16G48.4Very low58.6Low38 Ų3893.5 Ų93.539%0.39254%0.543SS..THydrogen-bonded Turntrans-69.5-25-178.400000114.4G13G13-G16 PolarHBondContact O-N 3.08Å
17Y53Low61Low116 Ų11690.2 Ų90.246%0.45553%0.525SS..THydrogen-bonded Turntrans-94.8-7.8-171.8-66.6-81.2000114.8V10 L12 D15 L19 L171V10-Y17 PolarHBondContact O-OH 3.46Å; L12-Y17 HydrophobicContact CB-CE2 4.09Å; L12-Y17 WeakPolarHBondContact O-CE2 3.38Å; D15-Y17 VanDerWaalsContact C-N 3.31Å; D15-Y17 PolarHBondContact O-N 3.33Å; Y17-L19 VanDerWaalsContact C-N 3.3Å; Y17-L19 PolarHBondContact O-N 3.42Å; Y17-L171 HydrophobicContact CD1-CD1 4.07Å
18Q62.4Low63.2Low144 Ų14486.7 Ų86.767%0.67350%0.5SS*.  trans-82.578.7179.3-64.7-171.717.100110.4
19L72.6Confident65.3Low7 Ų784.5 Ų84.54%0.03748%0.475CS..PPolyproline II helixtrans-88.8132.4162.5-67.6175.5000109Y17 E23 R25 V164 K166 L171Y17-L19 VanDerWaalsContact C-N 3.3Å; Y17-L19 PolarHBondContact O-N 3.42Å; L19-E23 HydrophobicContact CB-CB 4.38Å; L19-E23 HydrophobicContact CD2-CB 4.11Å; L19-R25 HydrophobicContact CD2-CB 4.07Å; L19-R25 HydrophobicContact CD2-CG 3.57Å; L19-V164 HydrophobicContact CD1-CB 4.4Å; L19-V164 HydrophobicContact CD1-CG1 3.96Å; L19-K166 HydrophobicContact CB-CB 4Å; L19-K166 HydrophobicContact CB-CD 4.31Å; L19-K166 WeakPolarHBondContact O-CD 3.39Å; L19-K166 PolarHBondContact O-NZ 2.94Å; L19-L171 HydrophobicContact CB-CD2 4.44Å; L19-L171 HydrophobicContact CD1-CD2 3.93Å
20A78.7Confident67.6Low50 Ų5082.7 Ų82.741%0.41346%0.463SS..PPolyproline II helixtrans-68.8162.5163.600000109.9G22 E23A20-G22 PolarHBondContact O-N 2.6Å; A20-E23 VanDerWaalsContact CB-CD 3.42Å; A20-E23 HydrophobicContact CB-CG 3.86Å; A20-E23 PolarHBondContact N-OE2 2.75Å; A20-E23 WeakPolarHBondContact O-CB 3.47Å; A20-E23 PolarHBondContact O-N 2.96Å; A20-E23 VanDerWaalsContact O-N 3.12Å
21E82.3Confident69.6Low105 Ų10586 Ų8649%0.49147%0.472SS..THydrogen-bonded Turntrans-61.5124.9-179.6-170.158.2-144.300110.6E23 I167 N168 G169E21-E23 VanDerWaalsContact C-N 3.33Å; E21-E23 PolarHBondContact O-N 2.89Å; E21-I167 VanDerWaalsContact OE1-C 3.28Å; E21-I167 VanDerWaalsContact OE1-CA 3.26Å; E21-I167 WeakPolarHBondContact OE1-CA 3.33Å; E21-N168 WeakPolarHBondContact OE1-CA 3.24Å; E21-N168 PolarHBondContact OE1-N 3.18Å; E21-G169 PolarHBondContact OE2-N 3.1Å
22G75.8Confident71.9Confident34 Ų3478.8 Ų78.835%0.35144%0.435SS..THydrogen-bonded Turntrans86.6-13.9-176.500000115.8A20 R165 K166A20-G22 PolarHBondContact O-N 2.6Å; G22-R165 PolarHBondContact O-NE 3.3Å; G22-R165 VanDerWaalsContact O-NE 3.15Å; G22-R165 PolarHBondContact O-NH2 3.24Å; G22-K166 WeakPolarHBondContact CA-O 3.35Å; G22-K166 PolarHBondContact N-O 2.82Å
23E82.2Confident74.1Confident92 Ų9279.4 Ų79.443%0.4344%0.435SS..  trans-68.2144.8176.8-74.1-176.4167.700111.9L19 A20 E21 R165 K166L19-E23 HydrophobicContact CB-CB 4.38Å; L19-E23 HydrophobicContact CD2-CB 4.11Å; A20-E23 VanDerWaalsContact CB-CD 3.42Å; A20-E23 HydrophobicContact CB-CG 3.86Å; A20-E23 PolarHBondContact N-OE2 2.75Å; A20-E23 WeakPolarHBondContact O-CB 3.47Å; A20-E23 PolarHBondContact O-N 2.96Å; A20-E23 VanDerWaalsContact O-N 3.12Å; E21-E23 VanDerWaalsContact C-N 3.33Å; E21-E23 PolarHBondContact O-N 2.89Å; E23-R165 WeakPolarHBondContact O-CA 3.46Å; E23-R165 WeakPolarHBondContact O-CG 3.27Å; E23-K166 PolarHBondContact O-N 2.93Å
24E81.2Confident76.6Confident88 Ų8884 Ų8441%0.41144%0.441SS..EExtended strand (participates in β ladder)trans-122.5136.3178.8-173.4169.1139.100109.1I163 V164 R165 R174E24-I163 HydrophobicContact CG-CG2 3.47Å; E24-I163 VanDerWaalsContact CG-CG2 3.47Å; E24-I163 WeakPolarHBondContact OE1-CG2 3.37Å; E24-V164 WeakPolarHBondContact CA-O 3.45Å; E24-R165 HydrophobicContact CB-CG 4.35Å; E24-R165 HydrophobicContact CG-CB 4.46Å; E24-R174 IonicContact OE1-NH2 3.33Å
25R83.2Confident78.8Confident122 Ų12282.1 Ų82.146%0.4642%0.423SS..EExtended strand (participates in β ladder)trans-126.5138.7168.3-80.6-178.4-171.8-178.52.6109.4L19 V164L19-R25 HydrophobicContact CD2-CB 4.07Å; L19-R25 HydrophobicContact CD2-CG 3.57Å; R25-V164 PolarHBondContact N-O 2.72Å; R25-V164 PolarHBondContact O-N 2.75Å
26S85Confident80.7Confident71 Ų7180.1 Ų80.150%0.49742%0.417SS..EExtended strand (participates in β ladder)trans-104.8145.7172.149.60000110.3L162S26-L162 WeakPolarHBondContact CA-O 3.42Å
27M86.6Confident82.8Confident81 Ų8181.5 Ų81.540%0.39942%0.415SS..EExtended strand (participates in β ladder)trans-143.4144.8166.463.4178.362.600109.6L12 V161 L162L12-M27 HydrophobicContact CD1-CE 3.96Å; L12-M27 HydrophobicContact CD1-SD 4.21Å; M27-V161 CarbonylContact O-C 3.54Å; M27-V161 WeakPolarHBondContact O-CA 3.37Å; M27-L162 HydrophobicContact CG-CB 4.07Å; M27-L162 HydrophobicContact CG-CD2 4.49Å; M27-L162 PolarHBondContact N-O 2.73Å; M27-L162 PolarHBondContact O-N 3.14Å; M27-L162 HydrophobicContact SD-CD2 4.44Å
28I90.3Very high84.7Confident29 Ų2976 Ų7615%0.14939%0.394CS..EExtended strand (participates in β ladder)trans-75.7135.4175.1-65.9167.5000108.7K33 L133 V134 L159 V161I28-K33 HydrophobicContact CG2-CB 3.96Å; I28-L133 HydrophobicContact CD1-CB 3.56Å; I28-L133 HydrophobicContact CD1-CD2 4.27Å; I28-L133 HydrophobicContact CD1-CG 4.36Å; I28-V134 HydrophobicContact CD1-CG2 4.06Å; I28-V134 HydrophobicContact CG1-CG2 4.3Å; I28-L159 HydrophobicContact CD1-CD1 4.42Å; I28-L159 HydrophobicContact CD1-CD2 4.5Å; I28-L159 HydrophobicContact CG2-CD2 3.71Å; I28-V161 HydrophobicContact CG1-CG2 4.28Å
29E88.9Confident86.2Confident40 Ų4074.3 Ų74.319%0.18739%0.386CS..  trans-64.5129.2173.4-69.2-166.9146.500110.1Q31 S32 K33 T160 L162 R175E29-Q31 PolarHBondContact O-N 3.09Å; E29-Q31 VanDerWaalsContact O-N 3.15Å; E29-S32 WeakPolarHBondContact O-CA 3.46Å; E29-S32 WeakPolarHBondContact O-CB 3.22Å; E29-S32 PolarHBondContact O-N 2.84Å; E29-K33 PolarHBondContact O-N 2.86Å; E29-K33 VanDerWaalsContact O-N 3.11Å; E29-T160 HydrophobicContact CG-CG2 4.21Å; E29-T160 PolarHBondContact N-O 3.46Å; E29-T160 VanDerWaalsContact OE2-CG2 3.31Å; E29-T160 WeakPolarHBondContact OE2-CG2 3.48Å; E29-L162 HydrophobicContact CG-CB 4.32Å; E29-R175 IonicContact OE1-CZ 2.95Å; E29-R175 IonicContact OE1-NE 3.78Å; E29-R175 PolarHBondContact OE1-NE 3.27Å; E29-R175 IonicContact OE1-NH2 2.56Å; E29-R175 PolarHBondContact OE1-NH2 2.91Å; E29-R175 IonicContact OE2-NE 2.78Å
30P87.3Confident87.1Confident84 Ų8477.7 Ų77.755%0.54540%0.404SS..Hα-helixtrans-53.1-41.5-176.7-29.234.9000113.5S32 K33 E34P30-S32 VanDerWaalsContact C-N 3.27Å; P30-S32 PolarHBondContact O-N 3.47Å; P30-K33 WeakPolarHBondContact O-CB 3.26Å; P30-K33 PolarHBondContact O-N 3.25Å; P30-K33 VanDerWaalsContact O-N 3.12Å; P30-E34 WeakPolarHBondContact O-CG 3.42Å; P30-E34 PolarHBondContact O-N 3.32Å
31Q87.5Confident87.9Confident163 Ų16375.3 Ų75.376%0.76238%0.384SS*.Hα-helixtrans-62-34.5177.6-631789.500112.7E29 H35E29-Q31 PolarHBondContact O-N 3.09Å; E29-Q31 VanDerWaalsContact O-N 3.15Å; Q31-H35 PolarHBondContact O-N 3.2Å
32S89.2Confident88.6Confident15 Ų1571.3 Ų71.311%0.10537%0.368CS..Hα-helixtrans-74-33.5177.3-166.50000111.7E29 P30 H35 L159 T160E29-S32 WeakPolarHBondContact O-CA 3.46Å; E29-S32 WeakPolarHBondContact O-CB 3.22Å; E29-S32 PolarHBondContact O-N 2.84Å; P30-S32 VanDerWaalsContact C-N 3.27Å; P30-S32 PolarHBondContact O-N 3.47Å; S32-H35 VanDerWaalsContact O-CB 3.22Å; S32-H35 WeakPolarHBondContact O-CB 3.25Å; S32-H35 PolarHBondContact O-N 3.39Å; S32-L159 WeakPolarHBondContact OG-CA 3.21Å; S32-T160 PolarHBondContact OG-N 3.09Å
33K88.9Confident89.5Confident82 Ų8272.3 Ų72.336%0.35737%0.369SS..Hα-helixtrans-69.5-34.9175.7-171.6171.4177.6169.60112.1I28 E29 P30 H35 E64 L133I28-K33 HydrophobicContact CG2-CB 3.96Å; E29-K33 PolarHBondContact O-N 2.86Å; E29-K33 VanDerWaalsContact O-N 3.11Å; P30-K33 WeakPolarHBondContact O-CB 3.26Å; P30-K33 PolarHBondContact O-N 3.25Å; P30-K33 VanDerWaalsContact O-N 3.12Å; K33-H35 PolarHBondContact O-N 3.17Å; K33-E64 WeakPolarHBondContact CE-OE2 3.28Å; K33-E64 IonicContact NZ-OE1 3.61Å; K33-E64 PolarHBondContact NZ-OE1 2.6Å; K33-E64 IonicContact NZ-OE2 2.83Å; K33-E64 PolarHBondContact NZ-OE2 3.22Å; K33-L133 HydrophobicContact CD-CD2 4.29Å; K33-L133 HydrophobicContact CG-CD2 4.12Å
34E89.5Confident90.1Very high153 Ų15369.6 Ų69.672%0.71536%0.36SS*.THydrogen-bonded Turntrans-78.4-1.3175.8-68.5173.9-175.400113.6P30P30-E34 WeakPolarHBondContact O-CG 3.42Å; P30-E34 PolarHBondContact O-N 3.32Å
35H92.2Very high90.9Very high86 Ų8665.4 Ų65.440%0.39834%0.34SS..  trans-62.2134.3-179.3-170.7-85.4000111Q31 S32 K33 L37 V38 H39Q31-H35 PolarHBondContact O-N 3.2Å; S32-H35 VanDerWaalsContact O-CB 3.22Å; S32-H35 WeakPolarHBondContact O-CB 3.25Å; S32-H35 PolarHBondContact O-N 3.39Å; K33-H35 PolarHBondContact O-N 3.17Å; H35-L37 VanDerWaalsContact C-N 3.31Å; H35-L37 PolarHBondContact ND1-N 3.03Å; H35-L37 PolarHBondContact O-N 2.96Å; H35-L37 VanDerWaalsContact O-N 3.16Å; H35-V38 HydrophobicContact CB-CB 4.49Å; H35-V38 HydrophobicContact CB-CG2 4.16Å; H35-V38 WeakPolarHBondContact O-CB 3.37Å; H35-V38 PolarHBondContact O-N 2.78Å; H35-H39 PolarHBondContact O-N 3.38Å
36P89.9Confident91.6Very high83 Ų8361.1 Ų61.154%0.53933%0.326SS..Hα-helixtrans-52.9-43.4-174.1-29.334.8000114.2V38 H39 D40P36-V38 VanDerWaalsContact C-N 3.31Å; P36-V38 PolarHBondContact O-N 3.43Å; P36-H39 WeakPolarHBondContact O-CB 3.11Å; P36-H39 PolarHBondContact O-N 2.9Å; P36-D40 WeakPolarHBondContact O-CB 3.27Å; P36-D40 PolarHBondContact O-N 2.88Å
37L91.5Very high92.1Very high67 Ų6764.2 Ų64.235%0.35133%0.333SS..Hα-helixtrans-64.6-32.8178.9-62.9178.1000113.6H35 L41 P154 V157H35-L37 VanDerWaalsContact C-N 3.31Å; H35-L37 PolarHBondContact ND1-N 3.03Å; H35-L37 PolarHBondContact O-N 2.96Å; H35-L37 VanDerWaalsContact O-N 3.16Å; L37-L41 VanDerWaalsContact O-CB 3.27Å; L37-L41 WeakPolarHBondContact O-CB 3.24Å; L37-L41 PolarHBondContact O-N 3.01Å; L37-P154 HydrophobicContact CD2-CB 4.41Å; L37-V157 HydrophobicContact CB-CG2 4.12Å
38V93.9Very high92.6Very high1 Ų160.7 Ų60.71%0.00632%0.315CS..Hα-helixtrans-72.1-42.3176.5174.80000109.6H35 P36 L41 S42 L137 V157 L159H35-V38 HydrophobicContact CB-CB 4.49Å; H35-V38 HydrophobicContact CB-CG2 4.16Å; H35-V38 WeakPolarHBondContact O-CB 3.37Å; H35-V38 PolarHBondContact O-N 2.78Å; P36-V38 VanDerWaalsContact C-N 3.31Å; P36-V38 PolarHBondContact O-N 3.43Å; V38-L41 PolarHBondContact O-N 2.83Å; V38-S42 WeakPolarHBondContact O-CB 3.43Å; V38-S42 PolarHBondContact O-N 3.06Å; V38-S42 PolarHBondContact O-OG 3.15Å; V38-L137 HydrophobicContact CG1-CD1 4.49Å; V38-V157 HydrophobicContact CB-CG1 4.43Å; V38-V157 HydrophobicContact CG2-CG1 3.7Å; V38-L159 HydrophobicContact CG1-CD2 4.01Å; V38-L159 HydrophobicContact CG2-CD2 3.92Å; V38-L159 HydrophobicContact CG2-CG 4.13Å
39H93Very high92.9Very high108 Ų10859.3 Ų59.350%0.531%0.308SS..Hα-helixtrans-61.7-47.6175.6176.3-83.9000111.6H35 P36 S42 C43H35-H39 PolarHBondContact O-N 3.38Å; P36-H39 WeakPolarHBondContact O-CB 3.11Å; P36-H39 PolarHBondContact O-N 2.9Å; H39-S42 PolarHBondContact O-N 3.02Å; H39-C43 PolarHBondContact CE1-SG 3.03Å; H39-C43 WeakPolarHBondContact O-CB 3.5Å; H39-C43 PolarHBondContact O-N 3.36Å; H39-C43 PolarHBondContact O-SG 3.47Å
40D93.2Very high93.3Very high78 Ų7858.9 Ų58.942%0.41731%0.307SS..Hα-helixtrans-63.1-44.1179.2-67.4-13.6000111P36 S42 C43 S44 P154P36-D40 WeakPolarHBondContact O-CB 3.27Å; P36-D40 PolarHBondContact O-N 2.88Å; D40-S42 VanDerWaalsContact C-N 3.34Å; D40-S42 PolarHBondContact O-N 3.49Å; D40-C43 PolarHBondContact O-N 2.7Å; D40-S44 PolarHBondContact O-N 3.44Å; D40-S44 PolarHBondContact O-OG 2.86Å; D40-P154 HydrophobicContact CB-CG 4.07Å
41L95.5Very high93.8Very high0 Ų059.1 Ų59.10%031%0.307CS..Hα-helixtrans-58.4-48.5174.4175.765.4000110.8L37 V38 C43 S44 L45 L137 V141 L153 P154 V157 V180 T181L37-L41 VanDerWaalsContact O-CB 3.27Å; L37-L41 WeakPolarHBondContact O-CB 3.24Å; L37-L41 PolarHBondContact O-N 3.01Å; V38-L41 PolarHBondContact O-N 2.83Å; L41-C43 VanDerWaalsContact C-N 3.32Å; L41-C43 PolarHBondContact O-N 3.21Å; L41-S44 PolarHBondContact O-N 3.18Å; L41-L45 HydrophobicContact CD1-CD1 3.99Å; L41-L45 HydrophobicContact CD1-CG 4.1Å; L41-L45 HydrophobicContact CG-CD1 3.92Å; L41-L45 HydrophobicContact CG-CG 4.4Å; L41-L45 WeakPolarHBondContact O-CB 3.45Å; L41-L45 VanDerWaalsContact O-CG 3.25Å; L41-L45 WeakPolarHBondContact O-CG 3.38Å; L41-L45 PolarHBondContact O-N 3.33Å; L41-L137 HydrophobicContact CD2-CD1 4.33Å; L41-L137 HydrophobicContact CD2-CD2 4.19Å; L41-L137 HydrophobicContact CG-CD2 4.37Å; L41-V141 HydrophobicContact CD1-CG2 4.07Å; L41-V141 HydrophobicContact CD2-CG2 4.22Å; L41-L153 HydrophobicContact CD1-CB 4.06Å; L41-L153 HydrophobicContact CD1-CD1 4.16Å; L41-L153 HydrophobicContact CD1-CD2 4.04Å; L41-L153 HydrophobicContact CD1-CG 4.32Å; L41-P154 HydrophobicContact CB-CG 4.19Å; L41-V157 HydrophobicContact CB-CG2 4.26Å; L41-V157 HydrophobicContact CD2-CB 4.09Å; L41-V157 HydrophobicContact CD2-CG1 3.8Å; L41-V157 HydrophobicContact CD2-CG2 4.1Å; L41-V180 HydrophobicContact CD2-CG1 3.68Å; L41-T181 HydrophobicContact CD1-CG2 4.09Å; L41-T181 HydrophobicContact CD2-CG2 3.9Å
42S95.8Very high94.2Very high20 Ų2053.8 Ų53.814%0.1428%0.282CS..Hα-helixtrans-61.3-42.5-179.7-57.70000111.3V38 H39 D40 L45 I46V38-S42 WeakPolarHBondContact O-CB 3.43Å; V38-S42 PolarHBondContact O-N 3.06Å; V38-S42 PolarHBondContact O-OG 3.15Å; H39-S42 PolarHBondContact O-N 3.02Å; D40-S42 VanDerWaalsContact C-N 3.34Å; D40-S42 PolarHBondContact O-N 3.49Å; S42-L45 PolarHBondContact O-N 3.48Å; S42-I46 WeakPolarHBondContact O-CB 3.48Å; S42-I46 VanDerWaalsContact O-CG1 3.22Å; S42-I46 WeakPolarHBondContact O-CG1 3.49Å; S42-I46 PolarHBondContact O-N 2.98Å
43C95.4Very high94.5Very high55 Ų5553 Ų5337%0.37228%0.277SS..Hα-helixtrans-60.4-49.1175.3-70.30000112H39 D40 L41 L45 I46 E47H39-C43 PolarHBondContact CE1-SG 3.03Å; H39-C43 WeakPolarHBondContact O-CB 3.5Å; H39-C43 PolarHBondContact O-N 3.36Å; H39-C43 PolarHBondContact O-SG 3.47Å; D40-C43 PolarHBondContact O-N 2.7Å; L41-C43 VanDerWaalsContact C-N 3.32Å; L41-C43 PolarHBondContact O-N 3.21Å; C43-L45 VanDerWaalsContact C-N 3.31Å; C43-L45 PolarHBondContact O-N 3.01Å; C43-I46 PolarHBondContact O-N 3.48Å; C43-E47 WeakPolarHBondContact O-CB 3.22Å; C43-E47 PolarHBondContact O-N 2.72Å
44S94.7Very high94.8Very high35 Ų3553.4 Ų53.425%0.24529%0.286CS..Hα-helixtrans-61.1-40178.8-62.80000112.3D40 L41 W48D40-S44 PolarHBondContact O-N 3.44Å; D40-S44 PolarHBondContact O-OG 2.86Å; L41-S44 PolarHBondContact O-N 3.18Å; S44-W48 WeakPolarHBondContact O-CB 3.43Å; S44-W48 PolarHBondContact O-N 3.35Å
45L97.7Very high94.9Very high0 Ų052.1 Ų52.10%028%0.284CS..Hα-helixtrans-67.9-41.7177.2-67.9175000111.9L41 S42 C43 W48 I49 L63 L137 L140 V141 V144 L153L41-L45 HydrophobicContact CD1-CD1 3.99Å; L41-L45 HydrophobicContact CD1-CG 4.1Å; L41-L45 HydrophobicContact CG-CD1 3.92Å; L41-L45 HydrophobicContact CG-CG 4.4Å; L41-L45 WeakPolarHBondContact O-CB 3.45Å; L41-L45 VanDerWaalsContact O-CG 3.25Å; L41-L45 WeakPolarHBondContact O-CG 3.38Å; L41-L45 PolarHBondContact O-N 3.33Å; S42-L45 PolarHBondContact O-N 3.48Å; C43-L45 VanDerWaalsContact C-N 3.31Å; C43-L45 PolarHBondContact O-N 3.01Å; L45-W48 PolarHBondContact O-N 3.26Å; L45-I49 VanDerWaalsContact O-CG1 3.24Å; L45-I49 WeakPolarHBondContact O-CG1 3.4Å; L45-I49 PolarHBondContact O-N 2.96Å; L45-L63 HydrophobicContact CB-CD1 4.36Å; L45-L63 HydrophobicContact CD1-CD1 4.42Å; L45-L137 HydrophobicContact CD1-CD2 3.51Å; L45-L140 HydrophobicContact CB-CD1 4.3Å; L45-L140 HydrophobicContact CD1-CB 3.87Å; L45-L140 HydrophobicContact CD1-CD1 4.06Å; L45-L140 HydrophobicContact CD2-CB 3.95Å; L45-L140 HydrophobicContact CG-CB 4.4Å; L45-V141 HydrophobicContact CD1-CG2 4.5Å; L45-V144 HydrophobicContact CD2-CG2 3.68Å; L45-L153 HydrophobicContact CD2-CD1 4.26Å; L45-L153 HydrophobicContact CD2-CD2 4.12Å
46I97.3Very high94.9Very high33 Ų3351.7 Ų51.717%0.16929%0.285CS..Hα-helixtrans-62.5-46.1175.5-71.2167.9000110.6S42 C43 W48 I49 N50 V60 L63S42-I46 WeakPolarHBondContact O-CB 3.48Å; S42-I46 VanDerWaalsContact O-CG1 3.22Å; S42-I46 WeakPolarHBondContact O-CG1 3.49Å; S42-I46 PolarHBondContact O-N 2.98Å; C43-I46 PolarHBondContact O-N 3.48Å; I46-W48 VanDerWaalsContact C-N 3.33Å; I46-W48 PolarHBondContact O-N 3.21Å; I46-I49 PolarHBondContact O-N 3.46Å; I46-N50 VanDerWaalsContact CG2-ND2 3.32Å; I46-N50 WeakPolarHBondContact CG2-ND2 3.33Å; I46-N50 VanDerWaalsContact O-CB 3.28Å; I46-N50 WeakPolarHBondContact O-CB 3.41Å; I46-N50 PolarHBondContact O-N 3.18Å; I46-N50 PolarHBondContact O-ND2 2.94Å; I46-V60 HydrophobicContact CG1-CG1 4.21Å; I46-V60 WeakPolarHBondContact CG2-O 3.37Å; I46-L63 HydrophobicContact CD1-CD2 4.43Å; I46-L63 HydrophobicContact CD1-CG 4.15Å; I46-L63 HydrophobicContact CG1-CD1 4.41Å; I46-L63 HydrophobicContact CG1-CD2 3.59Å; I46-L63 HydrophobicContact CG1-CG 3.81Å
47E95.9Very high95.2Very high135 Ų13558.8 Ų58.863%0.63130%0.301SS*.Hα-helixtrans-60.2-44178-177.8174.6-165.400111.5C43 N50 T51C43-E47 WeakPolarHBondContact O-CB 3.22Å; C43-E47 PolarHBondContact O-N 2.72Å; E47-N50 PolarHBondContact O-N 3.32Å; E47-T51 WeakPolarHBondContact O-CB 3.08Å; E47-T51 PolarHBondContact O-N 2.86Å; E47-T51 PolarHBondContact O-OG1 3.42Å
48W97.2Very high95.2Very high7 Ų757.6 Ų57.63%0.02729%0.294CS..Hα-helixtrans-60.5-53.7175.8170.958000112S44 L45 I46 N50 T51 E52 L76 L80 L140 L143 V144 S148 I151S44-W48 WeakPolarHBondContact O-CB 3.43Å; S44-W48 PolarHBondContact O-N 3.35Å; L45-W48 PolarHBondContact O-N 3.26Å; I46-W48 VanDerWaalsContact C-N 3.33Å; I46-W48 PolarHBondContact O-N 3.21Å; W48-N50 VanDerWaalsContact C-N 3.28Å; W48-N50 PolarHBondContact O-N 3.5Å; W48-T51 WeakPolarHBondContact O-CB 3.18Å; W48-T51 PolarHBondContact O-N 3.03Å; W48-T51 VanDerWaalsContact O-N 3.1Å; W48-E52 PolarHBondContact O-N 3.01Å; W48-L76 HydrophobicContact CH2-CD1 4.26Å; W48-L76 HydrophobicContact CH2-CD2 3.81Å; W48-L76 HydrophobicContact CH2-CG 4.38Å; W48-L76 HydrophobicContact CZ2-CD1 4.37Å; W48-L76 HydrophobicContact CZ3-CD2 3.9Å; W48-L80 HydrophobicContact CH2-CD1 4.19Å; W48-L80 HydrophobicContact CZ2-CD1 4.01Å; W48-L140 HydrophobicContact CZ3-CD2 4.31Å; W48-L143 HydrophobicContact CH2-CB 3.71Å; W48-L143 HydrophobicContact CZ3-CB 4.31Å; W48-V144 HydrophobicContact CD2-CG2 3.53Å; W48-V144 HydrophobicContact CE3-CG2 3.31Å; W48-V144 HydrophobicContact CG-CG2 4.23Å; W48-V144 HydrophobicContact CH2-CG2 3.93Å; W48-V144 HydrophobicContact CZ2-CG2 4.11Å; W48-V144 HydrophobicContact CZ3-CG2 3.53Å; W48-S148 PolarHBondContact NE1-OG 3.24Å; W48-I151 HydrophobicContact CB-CD1 3.91Å; W48-I151 HydrophobicContact CG-CD1 3.62Å
49I97.6Very high95.3Very high0 Ų062.6 Ų62.60%032%0.32CS..Hα-helixtrans-59.5-42.1-179.6-63164.1000110.8L45 I46 T51 E52 L53 V60 L63 L67 V72 L76 L140L45-I49 VanDerWaalsContact O-CG1 3.24Å; L45-I49 WeakPolarHBondContact O-CG1 3.4Å; L45-I49 PolarHBondContact O-N 2.96Å; I46-I49 PolarHBondContact O-N 3.46Å; I49-T51 VanDerWaalsContact C-N 3.33Å; I49-T51 PolarHBondContact O-N 3.41Å; I49-E52 PolarHBondContact O-N 2.96Å; I49-L53 HydrophobicContact CG2-CD1 3.79Å; I49-L53 HydrophobicContact CG2-CG 4.31Å; I49-L53 WeakPolarHBondContact O-CB 3.44Å; I49-L53 WeakPolarHBondContact O-CG 3.26Å; I49-L53 PolarHBondContact O-N 3.2Å; I49-V60 HydrophobicContact CB-CG2 4.47Å; I49-V60 HydrophobicContact CG2-CG2 3.67Å; I49-L63 HydrophobicContact CD1-CD2 4.06Å; I49-L67 HydrophobicContact CD1-CD2 4.28Å; I49-V72 HydrophobicContact CG2-CG1 3.92Å; I49-L76 HydrophobicContact CG1-CD2 4.15Å; I49-L140 HydrophobicContact CD1-CD1 3.98Å; I49-L140 HydrophobicContact CD1-CD2 3.79Å; I49-L140 HydrophobicContact CG1-CD2 4.47Å
50N97.2Very high95.5Very high32 Ų3257.5 Ų57.517%0.17130%0.297CS..Hα-helixtrans-66.5-35.4178.8-75.1-26.2000112.5I46 E47 W48 V54 L59 V60I46-N50 VanDerWaalsContact CG2-ND2 3.32Å; I46-N50 WeakPolarHBondContact CG2-ND2 3.33Å; I46-N50 VanDerWaalsContact O-CB 3.28Å; I46-N50 WeakPolarHBondContact O-CB 3.41Å; I46-N50 PolarHBondContact O-N 3.18Å; I46-N50 PolarHBondContact O-ND2 2.94Å; E47-N50 PolarHBondContact O-N 3.32Å; W48-N50 VanDerWaalsContact C-N 3.28Å; W48-N50 PolarHBondContact O-N 3.5Å; N50-V54 WeakPolarHBondContact O-CB 3.37Å; N50-V54 PolarHBondContact O-N 2.81Å; N50-L59 WeakPolarHBondContact OD1-CA 3.07Å; N50-V60 PolarHBondContact ND2-O 2.62Å; N50-V60 PolarHBondContact OD1-N 3.28Å
51T96.3Very high95.6Very high89 Ų8963.2 Ų63.255%0.54631%0.312SS..Hα-helixtrans-67.3-45.2174.5-58.90000110.5E47 W48 I49 V54E47-T51 WeakPolarHBondContact O-CB 3.08Å; E47-T51 PolarHBondContact O-N 2.86Å; E47-T51 PolarHBondContact O-OG1 3.42Å; W48-T51 WeakPolarHBondContact O-CB 3.18Å; W48-T51 PolarHBondContact O-N 3.03Å; W48-T51 VanDerWaalsContact O-N 3.1Å; I49-T51 VanDerWaalsContact C-N 3.33Å; I49-T51 PolarHBondContact O-N 3.41Å; T51-V54 WeakPolarHBondContact O-CG1 3.15Å
52E96.1Very high95.7Very high50 Ų5066.5 Ų66.523%0.23433%0.33CS..Hα-helixtrans-64.5-40.5176.3-70.2-56.4144.600111.4W48 I49 L76 K79W48-E52 PolarHBondContact O-N 3.01Å; I49-E52 PolarHBondContact O-N 2.96Å; E52-L76 HydrophobicContact CB-CD1 3.84Å; E52-L76 HydrophobicContact CG-CD1 4.26Å; E52-K79 WeakPolarHBondContact O-CD 3.45Å; E52-K79 WeakPolarHBondContact O-CE 3.32Å; E52-K79 PolarHBondContact O-NZ 3.4Å
53L96.1Very high95.7Very high0 Ų065.8 Ų65.80%033%0.325CS..THydrogen-bonded Turntrans-10014-173.3-59.6-178.6000115.2I49 D55 D56 R57 I58 V72 K75 L76 K79I49-L53 HydrophobicContact CG2-CD1 3.79Å; I49-L53 HydrophobicContact CG2-CG 4.31Å; I49-L53 WeakPolarHBondContact O-CB 3.44Å; I49-L53 WeakPolarHBondContact O-CG 3.26Å; I49-L53 PolarHBondContact O-N 3.2Å; L53-D55 VanDerWaalsContact C-N 3.29Å; L53-D55 PolarHBondContact O-N 2.91Å; L53-D56 PolarHBondContact O-N 3.22Å; L53-R57 PolarHBondContact O-N 3.44Å; L53-I58 HydrophobicContact CB-CB 3.91Å; L53-I58 HydrophobicContact CB-CD1 4.5Å; L53-I58 HydrophobicContact CB-CG2 4.46Å; L53-I58 HydrophobicContact CD1-CB 4.25Å; L53-I58 HydrophobicContact CD1-CD1 4.16Å; L53-I58 HydrophobicContact CD1-CG2 4.02Å; L53-I58 PolarHBondContact O-N 3.42Å; L53-V72 HydrophobicContact CD1-CG1 3.91Å; L53-K75 HydrophobicContact CD1-CB 4.3Å; L53-K75 HydrophobicContact CD2-CB 4.08Å; L53-L76 HydrophobicContact CD1-CB 4.3Å; L53-L76 HydrophobicContact CG-CD1 4.46Å; L53-K79 HydrophobicContact CD2-CD 4.44Å
54V94.9Very high95.7Very high90 Ų9064.7 Ų64.755%0.54531%0.314SS..THydrogen-bonded Turntrans-60.1-37.9-179.869.80000112.7N50 T51 D56 R57N50-V54 WeakPolarHBondContact O-CB 3.37Å; N50-V54 PolarHBondContact O-N 2.81Å; T51-V54 WeakPolarHBondContact O-CG1 3.15Å; V54-D56 VanDerWaalsContact C-N 3.3Å; V54-D56 PolarHBondContact O-N 3.34Å; V54-R57 PolarHBondContact O-N 3.17Å
55D92.8Very high95.8Very high125 Ų12564.7 Ų64.767%0.66832%0.316SS*.THydrogen-bonded Turntrans-66.8-33.7-179.3-62.8-42.4000112.1L53 R57 K79L53-D55 VanDerWaalsContact C-N 3.29Å; L53-D55 PolarHBondContact O-N 2.91Å; D55-R57 PolarHBondContact O-N 2.88Å; D55-K79 IonicContact OD2-NZ 2.72Å; D55-K79 PolarHBondContact OD2-NZ 3.44Å
56D92.2Very high95.7Very high78 Ų7867.1 Ų67.142%0.41733%0.329SS..THydrogen-bonded Turntrans-82.5-2175.2-67.3-73.9000112.5L53 V54 I58L53-D56 PolarHBondContact O-N 3.22Å; V54-D56 VanDerWaalsContact C-N 3.3Å; V54-D56 PolarHBondContact O-N 3.34Å; D56-I58 HydrophobicContact CB-CD1 3.86Å; D56-I58 HydrophobicContact CB-CG1 4.08Å; D56-I58 PolarHBondContact O-N 3.48Å
57R94.1Very high95.6Very high232 Ų23265.5 Ų65.588%0.87532%0.321SS*.THydrogen-bonded Turntrans57.733.8-177.8-53.8178.6176.6174.5-1.2113.3L53 V54 D55L53-R57 PolarHBondContact O-N 3.44Å; V54-R57 PolarHBondContact O-N 3.17Å; D55-R57 PolarHBondContact O-N 2.88Å
58I93.6Very high95.6Very high41 Ų4160.7 Ų60.721%0.2130%0.298CS..  trans-93131.3175.7-61.5168.2000107.8L53 D56 V72 K75L53-I58 HydrophobicContact CB-CB 3.91Å; L53-I58 HydrophobicContact CB-CD1 4.5Å; L53-I58 HydrophobicContact CB-CG2 4.46Å; L53-I58 HydrophobicContact CD1-CB 4.25Å; L53-I58 HydrophobicContact CD1-CD1 4.16Å; L53-I58 HydrophobicContact CD1-CG2 4.02Å; L53-I58 PolarHBondContact O-N 3.42Å; D56-I58 HydrophobicContact CB-CD1 3.86Å; D56-I58 HydrophobicContact CB-CG1 4.08Å; D56-I58 PolarHBondContact O-N 3.48Å; I58-V72 HydrophobicContact CG2-CG2 4.1Å; I58-K75 HydrophobicContact CD1-CB 3.63Å; I58-K75 HydrophobicContact CD1-CD 4.32Å; I58-K75 HydrophobicContact CD1-CG 3.57Å
59L94.8Very high95.2Very high106 Ų10661.9 Ų61.956%0.55531%0.305SS*.  trans-125111.3178.5-179.871.8000109.3N50 R61N50-L59 WeakPolarHBondContact OD1-CA 3.07Å; L59-R61 HydrophobicContact CD2-CG 4.42Å; L59-R61 HydrophobicContact CG-CG 4.37Å
60V97.2Very high95Very high2 Ų261.9 Ų61.91%0.01231%0.305CS..  trans-84.7134.6170-179.90000109.2I46 I49 N50 L63 D66 L67 V72I46-V60 HydrophobicContact CG1-CG1 4.21Å; I46-V60 WeakPolarHBondContact CG2-O 3.37Å; I49-V60 HydrophobicContact CB-CG2 4.47Å; I49-V60 HydrophobicContact CG2-CG2 3.67Å; N50-V60 PolarHBondContact ND2-O 2.62Å; N50-V60 PolarHBondContact OD1-N 3.28Å; V60-L63 HydrophobicContact CG1-CD2 4.05Å; V60-D66 WeakPolarHBondContact CA-OD2 3.28Å; V60-D66 HydrophobicContact CG1-CB 4.14Å; V60-L67 HydrophobicContact CG1-CD1 3.89Å; V60-L67 HydrophobicContact CG2-CD1 4.26Å; V60-V72 HydrophobicContact CG2-CG1 3.61Å; V60-V72 HydrophobicContact CG2-CG2 4.32Å
61R95.7Very high94.7Very high197 Ų19762.1 Ų62.174%0.74331%0.305SS*.SBendtrans-122.8-33.9175.2-62.7-179-1781761.1111.8L59 D66L59-R61 HydrophobicContact CD2-CG 4.42Å; L59-R61 HydrophobicContact CG-CG 4.37Å; R61-D66 PolarHBondContact N-OD2 2.84Å
62D96.2Very high94.7Very high69 Ų6958.6 Ų58.637%0.36928%0.283SS..  trans-137.5117.5-177-176.6-88.1000109.7E64 A65 D66D62-E64 VanDerWaalsContact C-N 3.28Å; D62-E64 PolarHBondContact O-N 2.73Å; D62-E64 WeakPolarHBondContact OD1-CB 3.44Å; D62-E64 PolarHBondContact OD1-N 2.98Å; D62-A65 HydrophobicContact CB-CB 4.07Å; D62-A65 PolarHBondContact O-N 3Å; D62-A65 VanDerWaalsContact OD1-CB 3.27Å; D62-A65 WeakPolarHBondContact OD1-CB 3.29Å; D62-A65 PolarHBondContact OD1-N 3.34Å; D62-D66 PolarHBondContact N-OD2 3.01Å; D62-D66 VanDerWaalsContact O-CB 3.24Å; D62-D66 WeakPolarHBondContact O-CB 3.45Å; D62-D66 VanDerWaalsContact O-CG 3.3Å; D62-D66 PolarHBondContact O-N 3.03Å
63L97.3Very high94.7Very high6 Ų656.3 Ų56.33%0.03127%0.272CS..Hα-helixtrans-62.3-36.7-173.6-65.8179.1000112.2L45 I46 I49 V60 L67 L133 I136 L137 L140L45-L63 HydrophobicContact CB-CD1 4.36Å; L45-L63 HydrophobicContact CD1-CD1 4.42Å; I46-L63 HydrophobicContact CD1-CD2 4.43Å; I46-L63 HydrophobicContact CD1-CG 4.15Å; I46-L63 HydrophobicContact CG1-CD1 4.41Å; I46-L63 HydrophobicContact CG1-CD2 3.59Å; I46-L63 HydrophobicContact CG1-CG 3.81Å; I49-L63 HydrophobicContact CD1-CD2 4.06Å; V60-L63 HydrophobicContact CG1-CD2 4.05Å; L63-L67 HydrophobicContact CD2-CD1 4.26Å; L63-L67 HydrophobicContact CD2-CD2 4.3Å; L63-L67 WeakPolarHBondContact O-CB 3.17Å; L63-L67 PolarHBondContact O-N 3.42Å; L63-L133 HydrophobicContact CB-CD1 4.33Å; L63-I136 HydrophobicContact CB-CG2 4.13Å; L63-L137 HydrophobicContact CD1-CD2 3.72Å; L63-L140 HydrophobicContact CD1-CD1 4.14Å; L63-L140 HydrophobicContact CD2-CD1 3.8Å
64E95.8Very high94.6Very high32 Ų3256.5 Ų56.515%0.1527%0.273CS..Hα-helixtrans-72.5-40.2179.9-75.5161.8124.500111.9K33 D62 F68 R131 L133 I136K33-E64 WeakPolarHBondContact CE-OE2 3.28Å; K33-E64 IonicContact NZ-OE1 3.61Å; K33-E64 PolarHBondContact NZ-OE1 2.6Å; K33-E64 IonicContact NZ-OE2 2.83Å; K33-E64 PolarHBondContact NZ-OE2 3.22Å; D62-E64 VanDerWaalsContact C-N 3.28Å; D62-E64 PolarHBondContact O-N 2.73Å; D62-E64 WeakPolarHBondContact OD1-CB 3.44Å; D62-E64 PolarHBondContact OD1-N 2.98Å; E64-F68 WeakPolarHBondContact O-CB 3.27Å; E64-R131 HydrophobicContact CB-CB 4.07Å; E64-R131 HydrophobicContact CG-CB 4.44Å; E64-R131 WeakPolarHBondContact O-CG 3.17Å; E64-L133 HydrophobicContact CG-CB 3.9Å; E64-L133 HydrophobicContact CG-CD1 4.08Å; E64-I136 HydrophobicContact CG-CD1 4.38Å
65A95.6Very high94.5Very high34 Ų3453.7 Ų53.728%0.28125%0.254SS..Hα-helixtrans-84.4-29.1-175.500000114.1D62 F68D62-A65 HydrophobicContact CB-CB 4.07Å; D62-A65 PolarHBondContact O-N 3Å; D62-A65 VanDerWaalsContact OD1-CB 3.27Å; D62-A65 WeakPolarHBondContact OD1-CB 3.29Å; D62-A65 PolarHBondContact OD1-N 3.34Å; A65-F68 WeakPolarHBondContact O-CD1 3.37Å; A65-F68 VanDerWaalsContact O-CE1 3.3Å; A65-F68 WeakPolarHBondContact O-CE1 3.48Å
66D96.1Very high94.7Very high51 Ų5147.8 Ų47.827%0.27322%0.222SC..Hα-helixtrans-96.5-22.1-173.1-61.7-30.5000112.9V60 R61 D62 V72V60-D66 WeakPolarHBondContact CA-OD2 3.28Å; V60-D66 HydrophobicContact CG1-CB 4.14Å; R61-D66 PolarHBondContact N-OD2 2.84Å; D62-D66 PolarHBondContact N-OD2 3.01Å; D62-D66 VanDerWaalsContact O-CB 3.24Å; D62-D66 WeakPolarHBondContact O-CB 3.45Å; D62-D66 VanDerWaalsContact O-CG 3.3Å; D62-D66 PolarHBondContact O-N 3.03Å; D66-V72 WeakPolarHBondContact O-CG2 3.16Å
67L95.8Very high94.9Very high0 Ų044.1 Ų44.10%020%0.203CC..Hα-helixtrans-103-17.5-175.7-74.960.7000114.3I49 V60 L63 D69 G70 V72 L73 I136 L140I49-L67 HydrophobicContact CD1-CD2 4.28Å; V60-L67 HydrophobicContact CG1-CD1 3.89Å; V60-L67 HydrophobicContact CG2-CD1 4.26Å; L63-L67 HydrophobicContact CD2-CD1 4.26Å; L63-L67 HydrophobicContact CD2-CD2 4.3Å; L63-L67 WeakPolarHBondContact O-CB 3.17Å; L63-L67 PolarHBondContact O-N 3.42Å; L67-D69 PolarHBondContact O-N 2.98Å; L67-D69 VanDerWaalsContact O-N 3.1Å; L67-G70 PolarHBondContact O-N 3.05Å; L67-V72 HydrophobicContact CD1-CB 4.36Å; L67-V72 HydrophobicContact CD1-CG1 4.13Å; L67-V72 HydrophobicContact CG-CB 4.38Å; L67-V72 HydrophobicContact CG-CG1 4.33Å; L67-L73 HydrophobicContact CB-CD1 4.46Å; L67-L73 HydrophobicContact CB-CG 4.32Å; L67-L73 HydrophobicContact CD2-CD2 4Å; L67-L73 HydrophobicContact CD2-CG 4.39Å; L67-L73 HydrophobicContact CG-CD2 4.37Å; L67-L73 HydrophobicContact CG-CG 4.27Å; L67-I136 HydrophobicContact CD2-CG2 3.89Å; L67-L140 HydrophobicContact CD2-CD1 3.72Å; L67-L140 HydrophobicContact CD2-CD2 3.88Å; L67-L140 HydrophobicContact CD2-CG 4.12Å
68F94Very high94.9Very high34 Ų3433.7 Ų33.715%0.14916%0.164CC..THydrogen-bonded Turntrans-59.1-29.2-169.681.9-76.4000114.4E64 A65 L101 V128 Y129 R131E64-F68 WeakPolarHBondContact O-CB 3.27Å; A65-F68 WeakPolarHBondContact O-CD1 3.37Å; A65-F68 VanDerWaalsContact O-CE1 3.3Å; A65-F68 WeakPolarHBondContact O-CE1 3.48Å; F68-L101 WeakPolarHBondContact O-CD2 2.99Å; F68-V128 WeakPolarHBondContact CA-O 3.47Å; F68-V128 WeakPolarHBondContact CB-O 3.48Å; F68-Y129 HydrophobicContact CD2-CD2 4.31Å; F68-Y129 HydrophobicContact CD2-CE2 4.29Å; F68-Y129 HydrophobicContact CE2-CE2 4.35Å; F68-Y129 WeakPolarHBondContact O-CA 3.47Å; F68-R131 HydrophobicContact CB-CG 3.81Å; F68-R131 HydrophobicContact CG-CG 4.2Å; F68-R131 VanDerWaalsContact CZ-NH2 3.27Å
69D90.2Very high95Very high31 Ų3135 Ų3517%0.16617%0.168CC..THydrogen-bonded Turntrans-89.3-6.6-176.382-16.4000112.9L67 Q71 Q97 R100L67-D69 PolarHBondContact O-N 2.98Å; L67-D69 VanDerWaalsContact O-N 3.1Å; D69-Q71 WeakPolarHBondContact OD1-CB 3.39Å; D69-Q71 PolarHBondContact OD1-N 3.23Å; D69-Q97 HydrophobicContact CB-CG 4.47Å; D69-R100 VanDerWaalsContact CB-NH2 3.31Å; D69-R100 VanDerWaalsContact O-CZ 3.23Å; D69-R100 PolarHBondContact O-NE 3.39Å; D69-R100 PolarHBondContact O-NH2 3.36Å; D69-R100 IonicContact OD1-NH2 3.42Å; D69-R100 IonicContact OD2-CZ 2.66Å; D69-R100 IonicContact OD2-NH2 3.5Å; D69-R100 PolarHBondContact OD2-NH2 2.92Å
70G92.3Very high94.9Very high0 Ų031.7 Ų31.70%015%0.151CC..SBendtrans81.7-0.4179.500000115.7L67 Q74L67-G70 PolarHBondContact O-N 3.05Å; G70-Q74 VanDerWaalsContact O-CB 3.3Å; G70-Q74 WeakPolarHBondContact O-CB 3.26Å; G70-Q74 PolarHBondContact O-N 3.43Å
71Q92.1Very high94.8Very high38 Ų3834.1 Ų34.118%0.17816%0.163CC..Hα-helixtrans-68-47.1-176.9-177.261.730.700112.1D69 Q74 K75 E89D69-Q71 WeakPolarHBondContact OD1-CB 3.39Å; D69-Q71 PolarHBondContact OD1-N 3.23Å; Q71-Q74 PolarHBondContact O-N 2.87Å; Q71-K75 PolarHBondContact O-N 3.25Å; Q71-E89 PolarHBondContact OE1-O 3.47Å
72V95Very high94.6Very high14 Ų1432 Ų329%0.08517%0.166CC..Hα-helixtrans-65.1-44.7177.6174.90000110.3I49 L53 I58 V60 D66 L67 Q74 K75 L76I49-V72 HydrophobicContact CG2-CG1 3.92Å; L53-V72 HydrophobicContact CD1-CG1 3.91Å; I58-V72 HydrophobicContact CG2-CG2 4.1Å; V60-V72 HydrophobicContact CG2-CG1 3.61Å; V60-V72 HydrophobicContact CG2-CG2 4.32Å; D66-V72 WeakPolarHBondContact O-CG2 3.16Å; L67-V72 HydrophobicContact CD1-CB 4.36Å; L67-V72 HydrophobicContact CD1-CG1 4.13Å; L67-V72 HydrophobicContact CG-CB 4.38Å; L67-V72 HydrophobicContact CG-CG1 4.33Å; V72-Q74 VanDerWaalsContact C-N 3.31Å; V72-Q74 PolarHBondContact O-N 3.22Å; V72-K75 PolarHBondContact O-N 3.03Å; V72-L76 WeakPolarHBondContact O-CB 3.28Å; V72-L76 PolarHBondContact O-N 3.4Å
73L95.9Very high94.5Very high2 Ų231.4 Ų31.41%0.0116%0.163CC..Hα-helixtrans-60.1-39.8177-69.6174000112L67 L76 I77 L101 V104 I108 V128 L139 L140L67-L73 HydrophobicContact CB-CD1 4.46Å; L67-L73 HydrophobicContact CB-CG 4.32Å; L67-L73 HydrophobicContact CD2-CD2 4Å; L67-L73 HydrophobicContact CD2-CG 4.39Å; L67-L73 HydrophobicContact CG-CD2 4.37Å; L67-L73 HydrophobicContact CG-CG 4.27Å; L73-L76 PolarHBondContact O-N 2.98Å; L73-I77 WeakPolarHBondContact O-CG2 3.32Å; L73-I77 PolarHBondContact O-N 3.34Å; L73-L101 HydrophobicContact CD1-CD1 4.1Å; L73-V104 HydrophobicContact CB-CG1 3.79Å; L73-I108 HydrophobicContact CB-CD1 4.5Å; L73-V128 HydrophobicContact CD1-CG1 4.32Å; L73-L139 HydrophobicContact CD1-CD2 3.82Å; L73-L139 HydrophobicContact CD2-CD2 4.18Å; L73-L140 HydrophobicContact CD2-CD2 4.07Å
74Q94Very high94Very high5 Ų538.2 Ų38.22%0.02319%0.192CC..Hα-helixtrans-59.5-50.5175.3-175.2-179.7-22.100111.1G70 Q71 V72 L76 I77 E78 I85 V104G70-Q74 VanDerWaalsContact O-CB 3.3Å; G70-Q74 WeakPolarHBondContact O-CB 3.26Å; G70-Q74 PolarHBondContact O-N 3.43Å; Q71-Q74 PolarHBondContact O-N 2.87Å; V72-Q74 VanDerWaalsContact C-N 3.31Å; V72-Q74 PolarHBondContact O-N 3.22Å; Q74-L76 VanDerWaalsContact C-N 3.31Å; Q74-L76 PolarHBondContact O-N 3.49Å; Q74-I77 WeakPolarHBondContact O-CG2 3.44Å; Q74-I77 PolarHBondContact O-N 3.27Å; Q74-E78 HydrophobicContact CG-CG 4.35Å; Q74-E78 PolarHBondContact NE2-OE1 3.02Å; Q74-E78 VanDerWaalsContact O-CB 3.31Å; Q74-E78 WeakPolarHBondContact O-CB 3.43Å; Q74-E78 VanDerWaalsContact O-CG 3.26Å; Q74-E78 WeakPolarHBondContact O-CG 3.47Å; Q74-E78 PolarHBondContact O-N 3.48Å; Q74-I85 HydrophobicContact CG-CB 4.25Å; Q74-I85 HydrophobicContact CG-CD1 4.28Å; Q74-I85 PolarHBondContact NE2-O 3.21Å; Q74-V104 HydrophobicContact CB-CG1 4.45Å; Q74-V104 HydrophobicContact CB-CG2 3.64Å; Q74-V104 HydrophobicContact CG-CG2 3.97Å
75K94.6Very high93.6Very high31 Ų3137.3 Ų37.314%0.13519%0.188CC..Hα-helixtrans-64.3-39.2-179.1-68.2-71.1-175.8-172.60111.7L53 I58 Q71 V72 K79 E89L53-K75 HydrophobicContact CD1-CB 4.3Å; L53-K75 HydrophobicContact CD2-CB 4.08Å; I58-K75 HydrophobicContact CD1-CB 3.63Å; I58-K75 HydrophobicContact CD1-CD 4.32Å; I58-K75 HydrophobicContact CD1-CG 3.57Å; Q71-K75 PolarHBondContact O-N 3.25Å; V72-K75 PolarHBondContact O-N 3.03Å; K75-K79 WeakPolarHBondContact O-CB 3.38Å; K75-K79 PolarHBondContact O-N 3.45Å; K75-E89 WeakPolarHBondContact CE-OE1 3.22Å; K75-E89 IonicContact NZ-OE1 2.76Å; K75-E89 PolarHBondContact NZ-OE1 3.24Å
76L96.4Very high92.7Very high1 Ų143.4 Ų43.41%0.00522%0.216CC..Hα-helixtrans-59.5-54.7175.4-175.361.7000111W48 I49 E52 L53 V72 L73 Q74 E78 K79 L80 L140 L143W48-L76 HydrophobicContact CH2-CD1 4.26Å; W48-L76 HydrophobicContact CH2-CD2 3.81Å; W48-L76 HydrophobicContact CH2-CG 4.38Å; W48-L76 HydrophobicContact CZ2-CD1 4.37Å; W48-L76 HydrophobicContact CZ3-CD2 3.9Å; I49-L76 HydrophobicContact CG1-CD2 4.15Å; E52-L76 HydrophobicContact CB-CD1 3.84Å; E52-L76 HydrophobicContact CG-CD1 4.26Å; L53-L76 HydrophobicContact CD1-CB 4.3Å; L53-L76 HydrophobicContact CG-CD1 4.46Å; V72-L76 WeakPolarHBondContact O-CB 3.28Å; V72-L76 PolarHBondContact O-N 3.4Å; L73-L76 PolarHBondContact O-N 2.98Å; Q74-L76 VanDerWaalsContact C-N 3.31Å; Q74-L76 PolarHBondContact O-N 3.49Å; L76-E78 PolarHBondContact O-N 3.29Å; L76-K79 PolarHBondContact O-N 3.02Å; L76-L80 HydrophobicContact CD1-CD1 4.02Å; L76-L80 HydrophobicContact CD1-CG 4.25Å; L76-L80 HydrophobicContact CG-CD1 3.9Å; L76-L80 HydrophobicContact CG-CG 4.45Å; L76-L80 VanDerWaalsContact O-CG 3.29Å; L76-L80 WeakPolarHBondContact O-CG 3.46Å; L76-L80 PolarHBondContact O-N 3.07Å; L76-L140 HydrophobicContact CD2-CD2 4.47Å; L76-L143 HydrophobicContact CD2-CD1 4.17Å
77I95.8Very high91.5Very high1 Ų142.6 Ų42.61%0.00521%0.211CC..Hα-helixtrans-69.3-34.9-177.1-162.663.2000112.5L73 Q74 K79 L80 L81 I85 V104 I108 A111 L143 F147L73-I77 WeakPolarHBondContact O-CG2 3.32Å; L73-I77 PolarHBondContact O-N 3.34Å; Q74-I77 WeakPolarHBondContact O-CG2 3.44Å; Q74-I77 PolarHBondContact O-N 3.27Å; I77-K79 VanDerWaalsContact C-N 3.28Å; I77-K79 PolarHBondContact O-N 3.07Å; I77-L80 PolarHBondContact O-N 3.49Å; I77-L81 HydrophobicContact CD1-CD1 3.75Å; I77-L81 HydrophobicContact CD1-CG 3.84Å; I77-L81 HydrophobicContact CG1-CD1 3.66Å; I77-L81 HydrophobicContact CG1-CG 4.09Å; I77-L81 WeakPolarHBondContact O-CB 3.35Å; I77-L81 PolarHBondContact O-N 2.91Å; I77-I85 HydrophobicContact CG2-CD1 3.54Å; I77-V104 HydrophobicContact CG2-CG1 4.33Å; I77-I108 HydrophobicContact CB-CG1 3.99Å; I77-I108 HydrophobicContact CD1-CG1 3.94Å; I77-I108 HydrophobicContact CG1-CG1 3.75Å; I77-I108 HydrophobicContact CG2-CG1 4.38Å; I77-A111 HydrophobicContact CD1-CB 4.49Å; I77-L143 HydrophobicContact CD1-CD2 4.14Å; I77-F147 HydrophobicContact CD1-CE2 4.24Å; I77-F147 HydrophobicContact CD1-CZ 4.39Å
78E94.9Very high90Very high12 Ų1246.9 Ų46.96%0.05624%0.238CC..Hα-helixtrans-57.2-42.5171.8-80.5-174.6-179.900111.5Q74 L76 N82 I83 K84 I85Q74-E78 HydrophobicContact CG-CG 4.35Å; Q74-E78 PolarHBondContact NE2-OE1 3.02Å; Q74-E78 VanDerWaalsContact O-CB 3.31Å; Q74-E78 WeakPolarHBondContact O-CB 3.43Å; Q74-E78 VanDerWaalsContact O-CG 3.26Å; Q74-E78 WeakPolarHBondContact O-CG 3.47Å; Q74-E78 PolarHBondContact O-N 3.48Å; L76-E78 PolarHBondContact O-N 3.29Å; E78-N82 CarbonylContact O-C 3.56Å; E78-N82 VanDerWaalsContact O-CA 3.22Å; E78-N82 WeakPolarHBondContact O-CA 3.34Å; E78-N82 PolarHBondContact O-N 2.94Å; E78-I83 WeakPolarHBondContact CB-O 3.12Å; E78-I83 WeakPolarHBondContact CG-O 3.43Å; E78-I83 PolarHBondContact O-N 2.72Å; E78-K84 IonicContact OE2-NZ 2.71Å; E78-K84 PolarHBondContact OE2-NZ 3.12Å; E78-I85 HydrophobicContact CG-CB 4.4Å; E78-I85 HydrophobicContact CG-CD1 4.4Å; E78-I85 HydrophobicContact CG-CG1 4.08Å; E78-I85 PolarHBondContact OE1-N 2.9Å
79K94.7Very high88.4Confident68 Ų6850.2 Ų50.230%0.29626%0.255SS..Hα-helixtrans-70.5-48.9177.7-173.9171.3-176.6159.30111.8E52 L53 D55 K75 L76 I77 L81 N82E52-K79 WeakPolarHBondContact O-CD 3.45Å; E52-K79 WeakPolarHBondContact O-CE 3.32Å; E52-K79 PolarHBondContact O-NZ 3.4Å; L53-K79 HydrophobicContact CD2-CD 4.44Å; D55-K79 IonicContact OD2-NZ 2.72Å; D55-K79 PolarHBondContact OD2-NZ 3.44Å; K75-K79 WeakPolarHBondContact O-CB 3.38Å; K75-K79 PolarHBondContact O-N 3.45Å; L76-K79 PolarHBondContact O-N 3.02Å; I77-K79 VanDerWaalsContact C-N 3.28Å; I77-K79 PolarHBondContact O-N 3.07Å; K79-L81 VanDerWaalsContact C-N 3.3Å; K79-L81 PolarHBondContact O-N 3.34Å; K79-N82 PolarHBondContact O-N 3.48Å
80L94.4Very high87Confident37 Ų3754.1 Ų54.119%0.19428%0.279CS..Hα-helixtrans-62.7-35.8-176.9-68176.5000112.7W48 L76 I77 F147W48-L80 HydrophobicContact CH2-CD1 4.19Å; W48-L80 HydrophobicContact CZ2-CD1 4.01Å; L76-L80 HydrophobicContact CD1-CD1 4.02Å; L76-L80 HydrophobicContact CD1-CG 4.25Å; L76-L80 HydrophobicContact CG-CD1 3.9Å; L76-L80 HydrophobicContact CG-CG 4.45Å; L76-L80 VanDerWaalsContact O-CG 3.29Å; L76-L80 WeakPolarHBondContact O-CG 3.46Å; L76-L80 PolarHBondContact O-N 3.07Å; I77-L80 PolarHBondContact O-N 3.49Å; L80-F147 HydrophobicContact CB-CD1 4.24Å; L80-F147 HydrophobicContact CB-CG 4.26Å; L80-F147 HydrophobicContact CD1-CB 4.08Å; L80-F147 HydrophobicContact CD1-CD2 3.83Å; L80-F147 HydrophobicContact CD1-CG 3.97Å; L80-F147 HydrophobicContact CD2-CB 4Å; L80-F147 HydrophobicContact CD2-CG 4.45Å; L80-F147 HydrophobicContact CG-CB 4.48Å; L80-F147 HydrophobicContact CG-CG 4.45Å
81L93.1Very high85.6Confident53 Ų5354.8 Ų54.828%0.27729%0.285SS..Hα-helixtrans-95.5-7.4178.5-60.8-179.4000113.6I77 K79 I83 E107 A111 F147I77-L81 HydrophobicContact CD1-CD1 3.75Å; I77-L81 HydrophobicContact CD1-CG 3.84Å; I77-L81 HydrophobicContact CG1-CD1 3.66Å; I77-L81 HydrophobicContact CG1-CG 4.09Å; I77-L81 WeakPolarHBondContact O-CB 3.35Å; I77-L81 PolarHBondContact O-N 2.91Å; K79-L81 VanDerWaalsContact C-N 3.3Å; K79-L81 PolarHBondContact O-N 3.34Å; L81-I83 VanDerWaalsContact C-N 3.29Å; L81-I83 HydrophobicContact CB-CB 4.47Å; L81-I83 HydrophobicContact CB-CD1 3.95Å; L81-I83 HydrophobicContact CB-CG1 3.88Å; L81-I83 HydrophobicContact CB-CG2 4.03Å; L81-I83 HydrophobicContact CD1-CD1 3.72Å; L81-I83 HydrophobicContact CG-CD1 4.49Å; L81-I83 WeakPolarHBondContact O-CG2 3.45Å; L81-I83 PolarHBondContact O-N 3.48Å; L81-E107 HydrophobicContact CD1-CG 4.5Å; L81-A111 HydrophobicContact CD1-CB 3.79Å; L81-A111 HydrophobicContact CD2-CB 4.04Å; L81-A111 HydrophobicContact CG-CB 4.47Å; L81-F147 HydrophobicContact CD2-CE1 3.65Å; L81-F147 HydrophobicContact CD2-CZ 3.73Å
82N92.8Very high84.7Confident152 Ų15261 Ų6181%0.81331%0.314SS*.THydrogen-bonded Turntrans5345.4-171.8-169.140.3000112.5E78 K79E78-N82 CarbonylContact O-C 3.56Å; E78-N82 VanDerWaalsContact O-CA 3.22Å; E78-N82 WeakPolarHBondContact O-CA 3.34Å; E78-N82 PolarHBondContact O-N 2.94Å; K79-N82 PolarHBondContact O-N 3.48Å
83I92.9Very high84.2Confident57 Ų5764.7 Ų64.729%0.29234%0.336SS..  trans-121.4174.8179.568.5179.2000111.5E78 L81 I85 E107E78-I83 WeakPolarHBondContact CB-O 3.12Å; E78-I83 WeakPolarHBondContact CG-O 3.43Å; E78-I83 PolarHBondContact O-N 2.72Å; L81-I83 VanDerWaalsContact C-N 3.29Å; L81-I83 HydrophobicContact CB-CB 4.47Å; L81-I83 HydrophobicContact CB-CD1 3.95Å; L81-I83 HydrophobicContact CB-CG1 3.88Å; L81-I83 HydrophobicContact CB-CG2 4.03Å; L81-I83 HydrophobicContact CD1-CD1 3.72Å; L81-I83 HydrophobicContact CG-CD1 4.49Å; L81-I83 WeakPolarHBondContact O-CG2 3.45Å; L81-I83 PolarHBondContact O-N 3.48Å; I83-I85 HydrophobicContact CD1-CG1 4.41Å; I83-E107 HydrophobicContact CD1-CG 3.92Å
84K88.6Confident83.6Confident149 Ų14971 Ų7165%0.64837%0.366SS*.  trans-125.4125.1171.4-72.9-73.7151-160.70109.7E78E78-K84 IonicContact OE2-NZ 2.71Å; E78-K84 PolarHBondContact OE2-NZ 3.12Å
85I85.6Confident83.3Confident14 Ų1476.5 Ų76.57%0.07239%0.394CS..  trans-92.5118.5177.7-62.5177.2000107.9Q74 I77 E78 I83 H87 I103 V104 E107Q74-I85 HydrophobicContact CG-CB 4.25Å; Q74-I85 HydrophobicContact CG-CD1 4.28Å; Q74-I85 PolarHBondContact NE2-O 3.21Å; I77-I85 HydrophobicContact CG2-CD1 3.54Å; E78-I85 HydrophobicContact CG-CB 4.4Å; E78-I85 HydrophobicContact CG-CD1 4.4Å; E78-I85 HydrophobicContact CG-CG1 4.08Å; E78-I85 PolarHBondContact OE1-N 2.9Å; I83-I85 HydrophobicContact CD1-CG1 4.41Å; I85-H87 PolarHBondContact O-N 2.88Å; I85-I103 HydrophobicContact CG2-CG2 3.7Å; I85-V104 HydrophobicContact CD1-CG2 4.47Å; I85-E107 HydrophobicContact CD1-CB 4.17Å; I85-E107 HydrophobicContact CD1-CG 4.04Å
86N78.3Confident82.9Confident162 Ų16275.3 Ų75.387%0.86639%0.391SS*.  trans-75.986.6-179.2-76.3-31.1000110.9
87H71.3Confident82.4Confident33 Ų3376.8 Ų76.815%0.15340%0.398CS..SBendtrans-143.2141.5170-163.371.3000110.5I85 E89 G96 R100I85-H87 PolarHBondContact O-N 2.88Å; H87-E89 PolarHBondContact O-N 3.49Å; H87-E89 VanDerWaalsContact O-N 3.13Å; H87-G96 PolarHBondContact NE2-O 3.1Å; H87-R100 WeakPolarHBondContact CD2-CB 3.39Å; H87-R100 VanDerWaalsContact CD2-CG 3.5Å; H87-R100 WeakPolarHBondContact CD2-CG 2.91Å; H87-R100 WeakPolarHBondContact NE2-CB 3.44Å
88P62.3Low82.2Confident90 Ų9081.3 Ų81.358%0.58442%0.417SS*.  trans-57.5119.9175.820.6-32.3000111V90P88-V90 PolarHBondContact O-N 2.87Å; P88-V90 VanDerWaalsContact O-N 3.13Å
89E60.7Low81.9Confident105 Ų10586 Ų8649%0.49144%0.439SS..SBendtrans-60.6-26.1-173.3-157.5167.3-149.100112.8Q71 K75 H87 R100Q71-E89 PolarHBondContact OE1-O 3.47Å; K75-E89 WeakPolarHBondContact CE-OE1 3.22Å; K75-E89 IonicContact NZ-OE1 2.76Å; K75-E89 PolarHBondContact NZ-OE1 3.24Å; H87-E89 PolarHBondContact O-N 3.49Å; H87-E89 VanDerWaalsContact O-N 3.13Å; E89-R100 PolarHBondContact O-NH1 2.92Å
90V60.5Low81.7Confident113 Ų11383 Ų8369%0.68543%0.426SS*.  trans-117.668.5-177.9-167.40000110.1P88 Q92P88-V90 PolarHBondContact O-N 2.87Å; P88-V90 VanDerWaalsContact O-N 3.13Å; V90-Q92 HydrophobicContact CG1-CG 3.97Å; V90-Q92 PolarHBondContact O-N 2.85Å
91A64.2Low81.6Confident14 Ų1481.3 Ų81.312%0.11642%0.417CS..  trans-8897.6165.200000109Q97A91-Q97 WeakPolarHBondContact O-CG 3.41Å
92Q72.8Confident81.6Confident167 Ų16783.7 Ų83.778%0.7843%0.425SS*.  trans-86.3-11.7178.6-70.3-163-8.600113.9V90V90-Q92 HydrophobicContact CG1-CG 3.97Å; V90-Q92 PolarHBondContact O-N 2.85Å
93T83.7Confident81.6Confident92 Ų9279.7 Ų79.756%0.56440%0.403SS*.SBendtrans-78.4142.5176.361.80000109.7I95 G96 Q97T93-I95 PolarHBondContact O-N 3.16Å; T93-G96 PolarHBondContact O-N 3.49Å; T93-G96 PolarHBondContact OG1-N 3.15Å; T93-G96 VanDerWaalsContact OG1-N 3.15Å; T93-Q97 WeakPolarHBondContact O-CG 3.33Å; T93-Q97 PolarHBondContact O-N 3.39Å
94E85.1Confident81.7Confident135 Ų13577 Ų7763%0.63139%0.389SS*.Hα-helixtrans-53.7-39.5176.4-63-175.8172.900111.9Q97 K98E94-Q97 PolarHBondContact O-N 3.32Å; E94-K98 WeakPolarHBondContact O-CG 3.41Å; E94-K98 PolarHBondContact O-N 3.48Å
95I85.9Confident82Confident121 Ų12170 Ų7062%0.62136%0.359SS*.Hα-helixtrans-61.6-46.5176.6-61.4174.3000110.6T93 K98 Q99T93-I95 PolarHBondContact O-N 3.16Å; I95-K98 PolarHBondContact O-N 3.12Å; I95-Q99 WeakPolarHBondContact O-CB 3.34Å; I95-Q99 VanDerWaalsContact O-CG 3.31Å; I95-Q99 WeakPolarHBondContact O-CG 3.31Å; I95-Q99 PolarHBondContact O-N 3.16Å
96G86.4Confident82.4Confident6 Ų672.9 Ų72.96%0.06238%0.375CS..Hα-helixtrans-68.7-34.6-178.700000113.1H87 T93 R100H87-G96 PolarHBondContact NE2-O 3.1Å; T93-G96 PolarHBondContact O-N 3.49Å; T93-G96 PolarHBondContact OG1-N 3.15Å; T93-G96 VanDerWaalsContact OG1-N 3.15Å; G96-R100 PolarHBondContact O-N 3.22Å
97Q87.5Confident83.2Confident31 Ų3169.1 Ų69.115%0.14535%0.352CS..Hα-helixtrans-66-46.7173-67.1173.8-20.700111.5D69 A91 T93 E94 Q99 R100 L101 Y129D69-Q97 HydrophobicContact CB-CG 4.47Å; A91-Q97 WeakPolarHBondContact O-CG 3.41Å; T93-Q97 WeakPolarHBondContact O-CG 3.33Å; T93-Q97 PolarHBondContact O-N 3.39Å; E94-Q97 PolarHBondContact O-N 3.32Å; Q97-Q99 VanDerWaalsContact C-N 3.3Å; Q97-Q99 PolarHBondContact O-N 3.23Å; Q97-R100 WeakPolarHBondContact O-CB 3.45Å; Q97-R100 PolarHBondContact O-N 2.91Å; Q97-L101 WeakPolarHBondContact O-CB 3.2Å; Q97-L101 PolarHBondContact O-N 2.79Å; Q97-Y129 HydrophobicContact CB-CE2 3.78Å; Q97-Y129 PolarHBondContact OE1-OH 3.34Å
98K89.8Confident84.3Confident97 Ų9767.6 Ų67.642%0.42235%0.345SS..Hα-helixtrans-61.6-38.9176.4-75.5-179.1179176.80112.2E94 I95 K102 Y129E94-K98 WeakPolarHBondContact O-CG 3.41Å; E94-K98 PolarHBondContact O-N 3.48Å; I95-K98 PolarHBondContact O-N 3.12Å; K98-K102 WeakPolarHBondContact O-CB 3.43Å; K98-K102 PolarHBondContact O-N 3.05Å; K98-Y129 HydrophobicContact CD-CD1 4.35Å; K98-Y129 HydrophobicContact CD-CE1 4.37Å; K98-Y129 HydrophobicContact CG-CD1 4.12Å; K98-Y129 HydrophobicContact CG-CD2 3.86Å; K98-Y129 HydrophobicContact CG-CE1 4.21Å; K98-Y129 HydrophobicContact CG-CE2 3.98Å; K98-Y129 HydrophobicContact CG-CG 3.92Å
99Q89.7Confident85.8Confident110 Ų11064 Ų6451%0.51432%0.32SS..Hα-helixtrans-65.1-45.5174.6-75.1174.5-9.500112I95 Q97 K102 I103I95-Q99 WeakPolarHBondContact O-CB 3.34Å; I95-Q99 VanDerWaalsContact O-CG 3.31Å; I95-Q99 WeakPolarHBondContact O-CG 3.31Å; I95-Q99 PolarHBondContact O-N 3.16Å; Q97-Q99 VanDerWaalsContact C-N 3.3Å; Q97-Q99 PolarHBondContact O-N 3.23Å; Q99-K102 PolarHBondContact O-N 2.7Å; Q99-I103 WeakPolarHBondContact O-CG1 3.47Å; Q99-I103 PolarHBondContact O-N 2.88Å
100R89.3Confident87.1Confident6 Ų661.9 Ų61.92%0.02333%0.327CS..Hα-helixtrans-55.4-55174.1-175.8173.253.8-164-4.7110.6D69 H87 E89 G96 Q97 K102 I103 V104D69-R100 VanDerWaalsContact CB-NH2 3.31Å; D69-R100 VanDerWaalsContact O-CZ 3.23Å; D69-R100 PolarHBondContact O-NE 3.39Å; D69-R100 PolarHBondContact O-NH2 3.36Å; D69-R100 IonicContact OD1-NH2 3.42Å; D69-R100 IonicContact OD2-CZ 2.66Å; D69-R100 IonicContact OD2-NH2 3.5Å; D69-R100 PolarHBondContact OD2-NH2 2.92Å; H87-R100 WeakPolarHBondContact CD2-CB 3.39Å; H87-R100 VanDerWaalsContact CD2-CG 3.5Å; H87-R100 WeakPolarHBondContact CD2-CG 2.91Å; H87-R100 WeakPolarHBondContact NE2-CB 3.44Å; E89-R100 PolarHBondContact O-NH1 2.92Å; G96-R100 PolarHBondContact O-N 3.22Å; Q97-R100 WeakPolarHBondContact O-CB 3.45Å; Q97-R100 PolarHBondContact O-N 2.91Å; R100-K102 PolarHBondContact O-N 3.27Å; R100-I103 PolarHBondContact O-N 2.87Å; R100-I103 VanDerWaalsContact O-N 3.1Å; R100-V104 HydrophobicContact CG-CG2 4.22Å; R100-V104 VanDerWaalsContact O-CG2 3.27Å; R100-V104 WeakPolarHBondContact O-CG2 3.35Å; R100-V104 PolarHBondContact O-N 3.16Å
101L93.2Very high88.5Confident0 Ų057.8 Ų57.80%031%0.305CS..Hα-helixtrans-59.5-39.2-176.6-176.866.7000111.2F68 L73 Q97 V104 I105 V125 V128 Y129F68-L101 WeakPolarHBondContact O-CD2 2.99Å; L73-L101 HydrophobicContact CD1-CD1 4.1Å; Q97-L101 WeakPolarHBondContact O-CB 3.2Å; Q97-L101 PolarHBondContact O-N 2.79Å; L101-V104 PolarHBondContact O-N 3.35Å; L101-I105 HydrophobicContact CD1-CD1 3.88Å; L101-I105 HydrophobicContact CD1-CG1 4.19Å; L101-I105 HydrophobicContact CD2-CD1 4.4Å; L101-I105 HydrophobicContact CG-CD1 3.8Å; L101-I105 HydrophobicContact CG-CG1 4.39Å; L101-I105 WeakPolarHBondContact O-CB 3.3Å; L101-I105 WeakPolarHBondContact O-CG1 3.44Å; L101-I105 PolarHBondContact O-N 3.12Å; L101-V125 HydrophobicContact CB-CG1 4.27Å; L101-V125 HydrophobicContact CD2-CG1 3.87Å; L101-V125 WeakPolarHBondContact CD2-O 3.42Å; L101-V125 HydrophobicContact CG-CG1 3.99Å; L101-V128 HydrophobicContact CD1-CG1 3.9Å; L101-V128 HydrophobicContact CD2-CB 4.08Å; L101-V128 HydrophobicContact CD2-CG1 4.01Å; L101-Y129 HydrophobicContact CD2-CD2 4.41Å
102K93.6Very high89.6Confident104 Ų10458.6 Ų58.645%0.45231%0.308SS..Hα-helixtrans-59.9-50.4173.8177165.1174.344.30112.1K98 Q99 R100 V104 I105 D106 V125K98-K102 WeakPolarHBondContact O-CB 3.43Å; K98-K102 PolarHBondContact O-N 3.05Å; Q99-K102 PolarHBondContact O-N 2.7Å; R100-K102 PolarHBondContact O-N 3.27Å; K102-V104 VanDerWaalsContact C-N 3.3Å; K102-V104 PolarHBondContact O-N 2.9Å; K102-I105 PolarHBondContact O-N 3.3Å; K102-D106 WeakPolarHBondContact CG-OD2 3.42Å; K102-D106 IonicContact NZ-OD1 3.26Å; K102-D106 PolarHBondContact NZ-OD1 3.42Å; K102-D106 IonicContact NZ-OD2 3.88Å; K102-D106 PolarHBondContact NZ-OD2 2.8Å; K102-D106 WeakPolarHBondContact O-CB 3.41Å; K102-D106 PolarHBondContact O-N 3.38Å; K102-V125 HydrophobicContact CB-CG1 4.2Å; K102-V125 HydrophobicContact CB-CG2 4.25Å; K102-V125 HydrophobicContact CG-CG2 4.45Å
103I93Very high90.2Very high68 Ų6853.3 Ų53.335%0.34930%0.297SS..Hα-helixtrans-59.6-44.9179.4-66.5164.6000110.4I85 Q99 R100 D106 E107I85-I103 HydrophobicContact CG2-CG2 3.7Å; Q99-I103 WeakPolarHBondContact O-CG1 3.47Å; Q99-I103 PolarHBondContact O-N 2.88Å; R100-I103 PolarHBondContact O-N 2.87Å; R100-I103 VanDerWaalsContact O-N 3.1Å; I103-D106 PolarHBondContact O-N 3.19Å; I103-E107 PolarHBondContact O-N 3.1Å
104V94.6Very high90.1Very high0 Ų050.4 Ų50.40%028%0.278CS..Hα-helixtrans-63.5-46.3179.6173.40000111.5L73 Q74 I77 I85 R100 L101 K102 E107 I108L73-V104 HydrophobicContact CB-CG1 3.79Å; Q74-V104 HydrophobicContact CB-CG1 4.45Å; Q74-V104 HydrophobicContact CB-CG2 3.64Å; Q74-V104 HydrophobicContact CG-CG2 3.97Å; I77-V104 HydrophobicContact CG2-CG1 4.33Å; I85-V104 HydrophobicContact CD1-CG2 4.47Å; R100-V104 HydrophobicContact CG-CG2 4.22Å; R100-V104 VanDerWaalsContact O-CG2 3.27Å; R100-V104 WeakPolarHBondContact O-CG2 3.35Å; R100-V104 PolarHBondContact O-N 3.16Å; L101-V104 PolarHBondContact O-N 3.35Å; K102-V104 VanDerWaalsContact C-N 3.3Å; K102-V104 PolarHBondContact O-N 2.9Å; V104-E107 PolarHBondContact O-N 3.23Å; V104-I108 HydrophobicContact CG1-CD1 3.87Å; V104-I108 VanDerWaalsContact O-CG1 3.28Å; V104-I108 WeakPolarHBondContact O-CG1 3.03Å; V104-I108 PolarHBondContact O-N 2.87Å
105I95.6Very high90Very high3 Ų344.3 Ų44.32%0.01525%0.251CS..Hα-helixtrans-65.7-39.7177.7-73.6175.8000111L101 K102 E107 I108 N109 V125 V128L101-I105 HydrophobicContact CD1-CD1 3.88Å; L101-I105 HydrophobicContact CD1-CG1 4.19Å; L101-I105 HydrophobicContact CD2-CD1 4.4Å; L101-I105 HydrophobicContact CG-CD1 3.8Å; L101-I105 HydrophobicContact CG-CG1 4.39Å; L101-I105 WeakPolarHBondContact O-CB 3.3Å; L101-I105 WeakPolarHBondContact O-CG1 3.44Å; L101-I105 PolarHBondContact O-N 3.12Å; K102-I105 PolarHBondContact O-N 3.3Å; I105-E107 VanDerWaalsContact C-N 3.32Å; I105-E107 PolarHBondContact O-N 3.27Å; I105-I108 PolarHBondContact O-N 3.19Å; I105-N109 WeakPolarHBondContact CG2-ND2 3.44Å; I105-N109 WeakPolarHBondContact O-CB 3.43Å; I105-N109 PolarHBondContact O-N 2.86Å; I105-N109 PolarHBondContact O-ND2 3.46Å; I105-N109 VanDerWaalsContact O-ND2 3.15Å; I105-N109 PolarHBondContact O-OD1 3.45Å; I105-V125 HydrophobicContact CB-CG2 4.4Å; I105-V125 HydrophobicContact CD1-CB 4.39Å; I105-V125 HydrophobicContact CD1-CG2 4.05Å; I105-V125 HydrophobicContact CG2-CG2 4.33Å; I105-V128 HydrophobicContact CD1-CB 4.23Å; I105-V128 HydrophobicContact CD1-CG2 4.03Å
106D93.7Very high89.8Confident74 Ų7443.3 Ų43.340%0.39625%0.252SS..Hα-helixtrans-62.4-40.6176.8-69.1-19000110.8K102 I103 N109 G110K102-D106 WeakPolarHBondContact CG-OD2 3.42Å; K102-D106 IonicContact NZ-OD1 3.26Å; K102-D106 PolarHBondContact NZ-OD1 3.42Å; K102-D106 IonicContact NZ-OD2 3.88Å; K102-D106 PolarHBondContact NZ-OD2 2.8Å; K102-D106 WeakPolarHBondContact O-CB 3.41Å; K102-D106 PolarHBondContact O-N 3.38Å; I103-D106 PolarHBondContact O-N 3.19Å; D106-N109 PolarHBondContact O-N 2.91Å; D106-G110 PolarHBondContact O-N 2.78Å
107E94.1Very high89.4Confident83 Ų8345.8 Ų45.839%0.38827%0.266SS..Hα-helixtrans-65.3-44.3174.4-163.969.1-146.500112.1L81 I83 I85 I103 V104 I105 N109 G110 A111L81-E107 HydrophobicContact CD1-CG 4.5Å; I83-E107 HydrophobicContact CD1-CG 3.92Å; I85-E107 HydrophobicContact CD1-CB 4.17Å; I85-E107 HydrophobicContact CD1-CG 4.04Å; I103-E107 PolarHBondContact O-N 3.1Å; V104-E107 PolarHBondContact O-N 3.23Å; I105-E107 VanDerWaalsContact C-N 3.32Å; I105-E107 PolarHBondContact O-N 3.27Å; E107-N109 VanDerWaalsContact C-N 3.33Å; E107-N109 PolarHBondContact O-N 2.94Å; E107-G110 PolarHBondContact O-N 3.34Å; E107-A111 PolarHBondContact O-N 2.98Å
108I95.4Very high89Confident0 Ų048 Ų480%027%0.273CS..Hα-helixtrans-60-45.1175.1-69.5164.6000110.5L73 I77 V104 I105 G110 A111 L112 L139 L143L73-I108 HydrophobicContact CB-CD1 4.5Å; I77-I108 HydrophobicContact CB-CG1 3.99Å; I77-I108 HydrophobicContact CD1-CG1 3.94Å; I77-I108 HydrophobicContact CG1-CG1 3.75Å; I77-I108 HydrophobicContact CG2-CG1 4.38Å; V104-I108 HydrophobicContact CG1-CD1 3.87Å; V104-I108 VanDerWaalsContact O-CG1 3.28Å; V104-I108 WeakPolarHBondContact O-CG1 3.03Å; V104-I108 PolarHBondContact O-N 2.87Å; I105-I108 PolarHBondContact O-N 3.19Å; I108-G110 VanDerWaalsContact C-N 3.32Å; I108-G110 PolarHBondContact O-N 2.93Å; I108-A111 PolarHBondContact O-N 3.36Å; I108-A111 VanDerWaalsContact O-N 3.15Å; I108-L112 HydrophobicContact CG2-CD1 3.62Å; I108-L112 HydrophobicContact CG2-CG 4.09Å; I108-L112 WeakPolarHBondContact O-CB 3.48Å; I108-L112 VanDerWaalsContact O-CG 3.31Å; I108-L112 WeakPolarHBondContact O-CG 3.35Å; I108-L112 PolarHBondContact O-N 2.96Å; I108-L139 HydrophobicContact CD1-CD1 4.42Å; I108-L139 HydrophobicContact CG2-CD1 3.68Å; I108-L143 HydrophobicContact CD1-CD1 4.44Å; I108-L143 HydrophobicContact CG1-CD2 4.45Å; I108-L143 HydrophobicContact CG2-CD2 3.69Å; I108-L143 HydrophobicContact CG2-CG 4.25Å
109N92.1Very high88.8Confident14 Ų1443.6 Ų43.68%0.07525%0.254CS..Hα-helixtrans-62-42.1-179.6-67.7-25.2000111.5I105 D106 E107 A111 L112 G113 I114 A119 W123I105-N109 WeakPolarHBondContact CG2-ND2 3.44Å; I105-N109 WeakPolarHBondContact O-CB 3.43Å; I105-N109 PolarHBondContact O-N 2.86Å; I105-N109 PolarHBondContact O-ND2 3.46Å; I105-N109 VanDerWaalsContact O-ND2 3.15Å; I105-N109 PolarHBondContact O-OD1 3.45Å; D106-N109 PolarHBondContact O-N 2.91Å; E107-N109 VanDerWaalsContact C-N 3.33Å; E107-N109 PolarHBondContact O-N 2.94Å; N109-A111 VanDerWaalsContact C-N 3.34Å; N109-A111 PolarHBondContact O-N 3.04Å; N109-L112 PolarHBondContact O-N 3.23Å; N109-G113 PolarHBondContact O-N 3.47Å; N109-I114 HydrophobicContact CB-CG2 3.78Å; N109-I114 PolarHBondContact O-N 2.99Å; N109-A119 HydrophobicContact CB-CB 4.49Å; N109-A119 VanDerWaalsContact CG-CB 3.49Å; N109-A119 VanDerWaalsContact ND2-CB 3.33Å; N109-A119 WeakPolarHBondContact ND2-CB 3.1Å; N109-A119 WeakPolarHBondContact OD1-CB 3.31Å; N109-W123 PolarHBondContact OD1-NE1 3.43Å
110G89.7Confident88.7Confident62 Ų6241.1 Ų41.164%0.63925%0.253SS*.Hα-helixtrans-60.2-42.5173.700000112.5D106 E107 I108 G113D106-G110 PolarHBondContact O-N 2.78Å; E107-G110 PolarHBondContact O-N 3.34Å; I108-G110 VanDerWaalsContact C-N 3.32Å; I108-G110 PolarHBondContact O-N 2.93Å; G110-G113 PolarHBondContact O-N 3.31Å
111A88.9Confident88.5Confident27 Ų2746.2 Ų46.222%0.22328%0.277CS..Hα-helixtrans-70.5-30.9178.600000113.9I77 L81 E107 I108 N109 G113 F147I77-A111 HydrophobicContact CD1-CB 4.49Å; L81-A111 HydrophobicContact CD1-CB 3.79Å; L81-A111 HydrophobicContact CD2-CB 4.04Å; L81-A111 HydrophobicContact CG-CB 4.47Å; E107-A111 PolarHBondContact O-N 2.98Å; I108-A111 PolarHBondContact O-N 3.36Å; I108-A111 VanDerWaalsContact O-N 3.15Å; N109-A111 VanDerWaalsContact C-N 3.34Å; N109-A111 PolarHBondContact O-N 3.04Å; A111-G113 VanDerWaalsContact C-N 3.34Å; A111-F147 HydrophobicContact CB-CZ 4.07Å
112L87.8Confident88.3Confident31 Ų3148.4 Ų48.416%0.16229%0.288CS..Hα-helixtrans-78.7-16.8173.9-68.9175.3000112.8I108 N109 I114 W123 A142 L143 K146I108-L112 HydrophobicContact CG2-CD1 3.62Å; I108-L112 HydrophobicContact CG2-CG 4.09Å; I108-L112 WeakPolarHBondContact O-CB 3.48Å; I108-L112 VanDerWaalsContact O-CG 3.31Å; I108-L112 WeakPolarHBondContact O-CG 3.35Å; I108-L112 PolarHBondContact O-N 2.96Å; N109-L112 PolarHBondContact O-N 3.23Å; L112-I114 HydrophobicContact CB-CB 4.41Å; L112-I114 HydrophobicContact CB-CG2 4.17Å; L112-I114 PolarHBondContact O-N 3.49Å; L112-W123 HydrophobicContact CD1-CH2 4.28Å; L112-W123 HydrophobicContact CD1-CZ2 3.86Å; L112-A142 HydrophobicContact CD1-CB 3.83Å; L112-A142 HydrophobicContact CD2-CB 4.28Å; L112-L143 HydrophobicContact CD2-CD2 4.42Å; L112-K146 HydrophobicContact CD2-CB 3.74Å; L112-K146 HydrophobicContact CD2-CG 4.12Å
113G85.1Confident88.3Confident55 Ų5543.8 Ų43.857%0.56727%0.268SS*.THydrogen-bonded Turntrans68.922.8-173.900000113.2N109 G110 A111N109-G113 PolarHBondContact O-N 3.47Å; G110-G113 PolarHBondContact O-N 3.31Å; A111-G113 VanDerWaalsContact C-N 3.34Å
114I81.8Confident88.3Confident32 Ų3242.4 Ų42.416%0.16426%0.263CS..  trans-91.4137.7-177.4-163.8169.2000110.6N109 L112 R118 A119 L122 W123N109-I114 HydrophobicContact CB-CG2 3.78Å; N109-I114 PolarHBondContact O-N 2.99Å; L112-I114 HydrophobicContact CB-CB 4.41Å; L112-I114 HydrophobicContact CB-CG2 4.17Å; L112-I114 PolarHBondContact O-N 3.49Å; I114-R118 HydrophobicContact CD1-CB 4.33Å; I114-R118 HydrophobicContact CD1-CG 3.86Å; I114-R118 HydrophobicContact CG1-CB 4Å; I114-R118 HydrophobicContact CG1-CG 3.97Å; I114-A119 HydrophobicContact CG2-CB 4.09Å; I114-L122 HydrophobicContact CD1-CD1 3.83Å; I114-W123 HydrophobicContact CD1-CH2 3.69Å; I114-W123 HydrophobicContact CD1-CZ2 3.7Å; I114-W123 HydrophobicContact CG2-CZ2 4.17Å
115S82.8Confident88.3Confident7 Ų744.1 Ų44.15%0.04927%0.274CS..  trans-64.1145.5178.977.70000111.3V117 R118 A119 H283S115-V117 PolarHBondContact O-N 3.35Å; S115-R118 PolarHBondContact O-N 3.28Å; S115-R118 VanDerWaalsContact O-N 3.14Å; S115-R118 WeakPolarHBondContact OG-CB 3.22Å; S115-R118 PolarHBondContact OG-N 2.84Å; S115-A119 PolarHBondContact O-N 2.52Å; S115-H283 WeakPolarHBondContact CB-O 3.3Å; S115-H283 PolarHBondContact OG-O 3.41Å
116P80.9Confident88.2Confident100 Ų10047.5 Ų47.565%0.64930%0.298SS*.Hα-helixtrans-57.4-32.8179.4-26.534.6000113.5A120P116-A120 VanDerWaalsContact O-CB 3.29Å; P116-A120 WeakPolarHBondContact O-CB 3.28Å; P116-A120 PolarHBondContact O-N 3.3Å
117V78.3Confident88.2Confident57 Ų5744.7 Ų44.735%0.34528%0.284SS..Hα-helixtrans-69.3-44.7178.3179.50000110.7S115 A120 Q121 D284 V285S115-V117 PolarHBondContact O-N 3.35Å; V117-A120 PolarHBondContact O-N 3.25Å; V117-Q121 WeakPolarHBondContact O-CG 3.49Å; V117-Q121 PolarHBondContact O-N 3.32Å; V117-D284 VanDerWaalsContact CB-O 3.25Å; V117-D284 WeakPolarHBondContact CB-O 3.4Å; V117-D284 WeakPolarHBondContact CG2-O 3.32Å; V117-V285 VanDerWaalsContact CG1-O 3.22Å; V117-V285 WeakPolarHBondContact CG1-O 3.33Å
118R79.6Confident88.3Confident79 Ų7940.7 Ų40.730%0.29827%0.266SS..Hα-helixtrans-66.1-42.4176.7-173.7175.9173.5141.4-0.8111.7I114 S115 A120 Q121 L122 G287I114-R118 HydrophobicContact CD1-CB 4.33Å; I114-R118 HydrophobicContact CD1-CG 3.86Å; I114-R118 HydrophobicContact CG1-CB 4Å; I114-R118 HydrophobicContact CG1-CG 3.97Å; S115-R118 PolarHBondContact O-N 3.28Å; S115-R118 VanDerWaalsContact O-N 3.14Å; S115-R118 WeakPolarHBondContact OG-CB 3.22Å; S115-R118 PolarHBondContact OG-N 2.84Å; R118-A120 VanDerWaalsContact C-N 3.29Å; R118-A120 PolarHBondContact O-N 3.13Å; R118-Q121 WeakPolarHBondContact O-CB 3.46Å; R118-Q121 PolarHBondContact O-N 3.42Å; R118-Q121 VanDerWaalsContact O-N 3.09Å; R118-L122 HydrophobicContact CG-CD1 3.92Å; R118-L122 HydrophobicContact CG-CG 4.43Å; R118-L122 WeakPolarHBondContact O-CG 3.12Å; R118-L122 PolarHBondContact O-N 3.49Å; R118-G287 PolarHBondContact NH1-O 3.38Å
119A85.7Confident88.2Confident3 Ų341.9 Ų41.93%0.02527%0.271CS..Hα-helixtrans-59.6-40.3173.700000112.1N109 I114 S115 Q121 L122 W123N109-A119 HydrophobicContact CB-CB 4.49Å; N109-A119 VanDerWaalsContact CG-CB 3.49Å; N109-A119 VanDerWaalsContact ND2-CB 3.33Å; N109-A119 WeakPolarHBondContact ND2-CB 3.1Å; N109-A119 WeakPolarHBondContact OD1-CB 3.31Å; I114-A119 HydrophobicContact CG2-CB 4.09Å; S115-A119 PolarHBondContact O-N 2.52Å; A119-Q121 PolarHBondContact O-N 3.42Å; A119-L122 PolarHBondContact O-N 2.97Å; A119-W123 CarbonylContact O-C 3.46Å; A119-W123 PolarHBondContact O-N 3.43Å
120A87.3Confident88.3Confident59 Ų5946.7 Ų46.749%0.48830%0.296SS..Hα-helixtrans-65.8-22.6176.400000113.6P116 V117 R118 P124P116-A120 VanDerWaalsContact O-CB 3.29Å; P116-A120 WeakPolarHBondContact O-CB 3.28Å; P116-A120 PolarHBondContact O-N 3.3Å; V117-A120 PolarHBondContact O-N 3.25Å; R118-A120 VanDerWaalsContact C-N 3.29Å; R118-A120 PolarHBondContact O-N 3.13Å; A120-P124 WeakPolarHBondContact O-CB 3.42Å; A120-P124 WeakPolarHBondContact O-CD 3.48Å; A120-P124 WeakPolarHBondContact O-CG 3.1Å
121Q85.3Confident88.5Confident113 Ų11348.9 Ų48.953%0.52829%0.285SS..Hα-helixtrans-83.8-36172.9-67.5172.20.600112.4V117 R118 A119V117-Q121 WeakPolarHBondContact O-CG 3.49Å; V117-Q121 PolarHBondContact O-N 3.32Å; R118-Q121 WeakPolarHBondContact O-CB 3.46Å; R118-Q121 PolarHBondContact O-N 3.42Å; R118-Q121 VanDerWaalsContact O-N 3.09Å; A119-Q121 PolarHBondContact O-N 3.42Å
122L89Confident88.8Confident45 Ų4549.8 Ų49.824%0.23629%0.286CS..Hα-helixtrans-88.7-43.1-173.3-64.4175.2000113.7I114 R118 A119I114-L122 HydrophobicContact CD1-CD1 3.83Å; R118-L122 HydrophobicContact CG-CD1 3.92Å; R118-L122 HydrophobicContact CG-CG 4.43Å; R118-L122 WeakPolarHBondContact O-CG 3.12Å; R118-L122 PolarHBondContact O-N 3.49Å; A119-L122 PolarHBondContact O-N 2.97Å
123W94.4Very high89.1Confident8 Ų848.6 Ų48.63%0.0328%0.28CS..SBendtrans-147.263.7-178.448.879.8000112.2N109 L112 I114 A119 V125 V128 A135 R138 L139 A142N109-W123 PolarHBondContact OD1-NE1 3.43Å; L112-W123 HydrophobicContact CD1-CH2 4.28Å; L112-W123 HydrophobicContact CD1-CZ2 3.86Å; I114-W123 HydrophobicContact CD1-CH2 3.69Å; I114-W123 HydrophobicContact CD1-CZ2 3.7Å; I114-W123 HydrophobicContact CG2-CZ2 4.17Å; A119-W123 CarbonylContact O-C 3.46Å; A119-W123 PolarHBondContact O-N 3.43Å; W123-V125 PolarHBondContact O-N 3.22Å; W123-V128 HydrophobicContact CB-CG2 4.26Å; W123-A135 HydrophobicContact CB-CB 4.14Å; W123-R138 HydrophobicContact CE3-CB 3.75Å; W123-R138 HydrophobicContact CZ3-CB 4.05Å; W123-L139 HydrophobicContact CB-CB 4.19Å; W123-L139 HydrophobicContact CD2-CB 4.08Å; W123-L139 HydrophobicContact CD2-CD1 4.03Å; W123-L139 HydrophobicContact CE3-CB 4.22Å; W123-L139 HydrophobicContact CG-CB 4.07Å; W123-L139 HydrophobicContact CG-CD1 4.07Å; W123-L139 HydrophobicContact CZ2-CD1 4.38Å; W123-A142 HydrophobicContact CH2-CB 3.68Å; W123-A142 HydrophobicContact CZ2-CB 4.5Å; W123-A142 HydrophobicContact CZ3-CB 4.09Å
124P93Very high89.6Confident39 Ų3946.2 Ų46.225%0.25326%0.255SS..  trans-58.4143.1177.222.3-28.7000110.8A120 S126 A127 V128A120-P124 WeakPolarHBondContact O-CB 3.42Å; A120-P124 WeakPolarHBondContact O-CD 3.48Å; A120-P124 WeakPolarHBondContact O-CG 3.1Å; P124-S126 PolarHBondContact O-N 2.92Å; P124-A127 HydrophobicContact CG-CB 3.7Å; P124-A127 WeakPolarHBondContact O-CB 3.21Å; P124-A127 PolarHBondContact O-N 2.93Å; P124-V128 PolarHBondContact O-N 2.89Å
125V94.3Very high90.2Very high36 Ų3644.8 Ų44.822%0.21825%0.248CC..Hα-helixtrans-50.1-38.6-178.8-178.90000111.8L101 K102 I105 W123 Y129L101-V125 HydrophobicContact CB-CG1 4.27Å; L101-V125 HydrophobicContact CD2-CG1 3.87Å; L101-V125 WeakPolarHBondContact CD2-O 3.42Å; L101-V125 HydrophobicContact CG-CG1 3.99Å; K102-V125 HydrophobicContact CB-CG1 4.2Å; K102-V125 HydrophobicContact CB-CG2 4.25Å; K102-V125 HydrophobicContact CG-CG2 4.45Å; I105-V125 HydrophobicContact CB-CG2 4.4Å; I105-V125 HydrophobicContact CD1-CB 4.39Å; I105-V125 HydrophobicContact CD1-CG2 4.05Å; I105-V125 HydrophobicContact CG2-CG2 4.33Å; W123-V125 PolarHBondContact O-N 3.22Å; V125-Y129 WeakPolarHBondContact O-CB 3.21Å; V125-Y129 PolarHBondContact O-N 2.78Å
126S93.1Very high90.9Very high74 Ų7444.6 Ų44.652%0.51725%0.246SC..Hα-helixtrans-65.4-37.2177.351.30000113.6P124 N130P124-S126 PolarHBondContact O-N 2.92Å; S126-N130 VanDerWaalsContact O-CB 3.24Å; S126-N130 WeakPolarHBondContact O-CB 3.45Å; S126-N130 PolarHBondContact O-N 3.48Å; S126-N130 PolarHBondContact O-ND2 3.07Å; S126-N130 VanDerWaalsContact O-ND2 3.15Å
127A93.4Very high91.7Very high14 Ų1439.8 Ų39.812%0.11622%0.215CC..Hα-helixtrans-69.6-45.6178.700000110.7P124 Y129 N130 R131 D132 A135P124-A127 HydrophobicContact CG-CB 3.7Å; P124-A127 WeakPolarHBondContact O-CB 3.21Å; P124-A127 PolarHBondContact O-N 2.93Å; A127-Y129 VanDerWaalsContact C-N 3.35Å; A127-Y129 PolarHBondContact O-N 3.05Å; A127-N130 CarbonylContact O-C 3.01Å; A127-N130 PolarHBondContact O-N 2.95Å; A127-R131 PolarHBondContact O-N 3.2Å; A127-D132 HydrophobicContact CB-CB 3.85Å; A127-D132 VanDerWaalsContact O-CB 3.26Å; A127-D132 WeakPolarHBondContact O-CB 3.24Å; A127-D132 PolarHBondContact O-N 2.83Å; A127-A135 HydrophobicContact CB-CB 3.8Å
128V95.8Very high92.5Very high0 Ų038.9 Ų38.90%021%0.205CC..Hα-helixtrans-60.5-45.2175.6-179.90000110.9F68 L73 L101 I105 W123 P124 N130 R131 A135 I136F68-V128 WeakPolarHBondContact CA-O 3.47Å; F68-V128 WeakPolarHBondContact CB-O 3.48Å; L73-V128 HydrophobicContact CD1-CG1 4.32Å; L101-V128 HydrophobicContact CD1-CG1 3.9Å; L101-V128 HydrophobicContact CD2-CB 4.08Å; L101-V128 HydrophobicContact CD2-CG1 4.01Å; I105-V128 HydrophobicContact CD1-CB 4.23Å; I105-V128 HydrophobicContact CD1-CG2 4.03Å; W123-V128 HydrophobicContact CB-CG2 4.26Å; P124-V128 PolarHBondContact O-N 2.89Å; V128-N130 VanDerWaalsContact C-N 3.3Å; V128-N130 PolarHBondContact O-N 3.35Å; V128-R131 PolarHBondContact O-N 3.18Å; V128-R131 VanDerWaalsContact O-N 3.09Å; V128-A135 HydrophobicContact CG2-CB 4.16Å; V128-I136 HydrophobicContact CG1-CG1 4.18Å
129Y94.9Very high93.4Very high25 Ų2535.2 Ų35.210%0.09819%0.191CC..Hα-helixtrans-62.2-36.1176.7-171.7-99.7000113.3F68 Q97 K98 L101 V125 A127 R131F68-Y129 HydrophobicContact CD2-CD2 4.31Å; F68-Y129 HydrophobicContact CD2-CE2 4.29Å; F68-Y129 HydrophobicContact CE2-CE2 4.35Å; F68-Y129 WeakPolarHBondContact O-CA 3.47Å; Q97-Y129 HydrophobicContact CB-CE2 3.78Å; Q97-Y129 PolarHBondContact OE1-OH 3.34Å; K98-Y129 HydrophobicContact CD-CD1 4.35Å; K98-Y129 HydrophobicContact CD-CE1 4.37Å; K98-Y129 HydrophobicContact CG-CD1 4.12Å; K98-Y129 HydrophobicContact CG-CD2 3.86Å; K98-Y129 HydrophobicContact CG-CE1 4.21Å; K98-Y129 HydrophobicContact CG-CE2 3.98Å; K98-Y129 HydrophobicContact CG-CG 3.92Å; L101-Y129 HydrophobicContact CD2-CD2 4.41Å; V125-Y129 WeakPolarHBondContact O-CB 3.21Å; V125-Y129 PolarHBondContact O-N 2.78Å; A127-Y129 VanDerWaalsContact C-N 3.35Å; A127-Y129 PolarHBondContact O-N 3.05Å; Y129-R131 PolarHBondContact O-N 2.82Å
130N93.5Very high93.9Very high115 Ų11535 Ų3562%0.61519%0.19SC*.THydrogen-bonded Turntrans-84.213.8177.7-68.2-22.8000113.2S126 A127 V128 D132S126-N130 VanDerWaalsContact O-CB 3.24Å; S126-N130 WeakPolarHBondContact O-CB 3.45Å; S126-N130 PolarHBondContact O-N 3.48Å; S126-N130 PolarHBondContact O-ND2 3.07Å; S126-N130 VanDerWaalsContact O-ND2 3.15Å; A127-N130 CarbonylContact O-C 3.01Å; A127-N130 PolarHBondContact O-N 2.95Å; V128-N130 VanDerWaalsContact C-N 3.3Å; V128-N130 PolarHBondContact O-N 3.35Å; N130-D132 VanDerWaalsContact C-N 3.32Å; N130-D132 PolarHBondContact O-N 3.37Å
131R94.7Very high94.3Very high108 Ų10832.7 Ų32.741%0.40817%0.169SC..THydrogen-bonded Turntrans63.334.9175.5-48.2-178.2-177-130.9-8.9113.4E64 F68 A127 V128 Y129 L133E64-R131 HydrophobicContact CB-CB 4.07Å; E64-R131 HydrophobicContact CG-CB 4.44Å; E64-R131 WeakPolarHBondContact O-CG 3.17Å; F68-R131 HydrophobicContact CB-CG 3.81Å; F68-R131 HydrophobicContact CG-CG 4.2Å; F68-R131 VanDerWaalsContact CZ-NH2 3.27Å; A127-R131 PolarHBondContact O-N 3.2Å; V128-R131 PolarHBondContact O-N 3.18Å; V128-R131 VanDerWaalsContact O-N 3.09Å; Y129-R131 PolarHBondContact O-N 2.82Å; R131-L133 PolarHBondContact O-N 2.78Å; R131-L133 VanDerWaalsContact O-N 3.14Å
132D93.6Very high94.7Very high46 Ų4628.5 Ų28.525%0.24615%0.154CC..  trans-72.2106172.6-173.8-16.1000110A127 N130 V134 A135 I136A127-D132 HydrophobicContact CB-CB 3.85Å; A127-D132 VanDerWaalsContact O-CB 3.26Å; A127-D132 WeakPolarHBondContact O-CB 3.24Å; A127-D132 PolarHBondContact O-N 2.83Å; N130-D132 VanDerWaalsContact C-N 3.32Å; N130-D132 PolarHBondContact O-N 3.37Å; D132-V134 PolarHBondContact O-N 3.44Å; D132-V134 WeakPolarHBondContact OD1-CB 3.32Å; D132-V134 PolarHBondContact OD1-N 2.96Å; D132-A135 HydrophobicContact CB-CB 4.13Å; D132-A135 PolarHBondContact O-N 3.07Å; D132-I136 VanDerWaalsContact O-CG1 3.3Å; D132-I136 WeakPolarHBondContact O-CG1 3.38Å; D132-I136 PolarHBondContact O-N 2.85Å
133L95.3Very high95Very high6 Ų626.4 Ų26.43%0.03114%0.143CC..Hα-helixtrans-60.9-30.5179.7-17966.1000112.6I28 K33 L63 E64 R131 I136 L137I28-L133 HydrophobicContact CD1-CB 3.56Å; I28-L133 HydrophobicContact CD1-CD2 4.27Å; I28-L133 HydrophobicContact CD1-CG 4.36Å; K33-L133 HydrophobicContact CD-CD2 4.29Å; K33-L133 HydrophobicContact CG-CD2 4.12Å; L63-L133 HydrophobicContact CB-CD1 4.33Å; E64-L133 HydrophobicContact CG-CB 3.9Å; E64-L133 HydrophobicContact CG-CD1 4.08Å; R131-L133 PolarHBondContact O-N 2.78Å; R131-L133 VanDerWaalsContact O-N 3.14Å; L133-I136 PolarHBondContact O-N 2.87Å; L133-L137 HydrophobicContact CD1-CD1 3.97Å; L133-L137 HydrophobicContact CD1-CD2 4.11Å; L133-L137 HydrophobicContact CD1-CG 3.73Å; L133-L137 HydrophobicContact CD2-CD1 4.3Å; L133-L137 HydrophobicContact CG-CD1 3.72Å; L133-L137 HydrophobicContact CG-CG 3.95Å; L133-L137 VanDerWaalsContact O-CB 3.3Å; L133-L137 WeakPolarHBondContact O-CB 3.48Å; L133-L137 WeakPolarHBondContact O-CG 3.22Å; L133-L137 PolarHBondContact O-N 3.05Å
134V95Very high95Very high5 Ų526 Ų263%0.0314%0.142CC..Hα-helixtrans-63.5-49.8177.1176.20000109.9I28 D132 L137 R138 L159 V161 E178I28-V134 HydrophobicContact CD1-CG2 4.06Å; I28-V134 HydrophobicContact CG1-CG2 4.3Å; D132-V134 PolarHBondContact O-N 3.44Å; D132-V134 WeakPolarHBondContact OD1-CB 3.32Å; D132-V134 PolarHBondContact OD1-N 2.96Å; V134-L137 PolarHBondContact O-N 2.86Å; V134-R138 WeakPolarHBondContact O-CB 3.37Å; V134-R138 VanDerWaalsContact O-CG 3.32Å; V134-R138 WeakPolarHBondContact O-CG 3.2Å; V134-R138 PolarHBondContact O-N 2.85Å; V134-L159 HydrophobicContact CG2-CB 3.94Å; V134-L159 HydrophobicContact CG2-CD1 3.72Å; V134-L159 HydrophobicContact CG2-CG 4.47Å; V134-V161 HydrophobicContact CG2-CG2 3.94Å; V134-E178 HydrophobicContact CG1-CB 3.75Å; V134-E178 HydrophobicContact CG1-CG 4.1Å; V134-E178 HydrophobicContact CG2-CB 4.12Å; V134-E178 HydrophobicContact CG2-CG 4.34Å
135A95.4Very high94.8Very high2 Ų229.5 Ų29.52%0.01716%0.155CC..Hα-helixtrans-61.3-44.917800000111.5W123 A127 V128 D132 R138 L139W123-A135 HydrophobicContact CB-CB 4.14Å; A127-A135 HydrophobicContact CB-CB 3.8Å; V128-A135 HydrophobicContact CG2-CB 4.16Å; D132-A135 HydrophobicContact CB-CB 4.13Å; D132-A135 PolarHBondContact O-N 3.07Å; A135-R138 PolarHBondContact O-N 3.29Å; A135-L139 WeakPolarHBondContact O-CB 3.35Å; A135-L139 PolarHBondContact O-N 2.97Å
136I97.5Very high94.5Very high2 Ų233.7 Ų33.71%0.0117%0.17CC..Hα-helixtrans-62.4-48.4179.3-67.8166.3000110.8L63 E64 L67 V128 D132 L133 L139 L140L63-I136 HydrophobicContact CB-CG2 4.13Å; E64-I136 HydrophobicContact CG-CD1 4.38Å; L67-I136 HydrophobicContact CD2-CG2 3.89Å; V128-I136 HydrophobicContact CG1-CG1 4.18Å; D132-I136 VanDerWaalsContact O-CG1 3.3Å; D132-I136 WeakPolarHBondContact O-CG1 3.38Å; D132-I136 PolarHBondContact O-N 2.85Å; L133-I136 PolarHBondContact O-N 2.87Å; I136-L139 PolarHBondContact O-N 2.98Å; I136-L140 HydrophobicContact CG2-CD1 3.96Å; I136-L140 HydrophobicContact CG2-CG 4.47Å; I136-L140 VanDerWaalsContact O-CG 3.3Å; I136-L140 WeakPolarHBondContact O-CG 3.3Å; I136-L140 PolarHBondContact O-N 3.14Å
137L97.1Very high94.4Very high0 Ų032.8 Ų32.80%016%0.156CC..Hα-helixtrans-64-44.6179.7-68.9172.9000111.4V38 L41 L45 L63 L133 V134 L139 L140 V141 L159 V180V38-L137 HydrophobicContact CG1-CD1 4.49Å; L41-L137 HydrophobicContact CD2-CD1 4.33Å; L41-L137 HydrophobicContact CD2-CD2 4.19Å; L41-L137 HydrophobicContact CG-CD2 4.37Å; L45-L137 HydrophobicContact CD1-CD2 3.51Å; L63-L137 HydrophobicContact CD1-CD2 3.72Å; L133-L137 HydrophobicContact CD1-CD1 3.97Å; L133-L137 HydrophobicContact CD1-CD2 4.11Å; L133-L137 HydrophobicContact CD1-CG 3.73Å; L133-L137 HydrophobicContact CD2-CD1 4.3Å; L133-L137 HydrophobicContact CG-CD1 3.72Å; L133-L137 HydrophobicContact CG-CG 3.95Å; L133-L137 VanDerWaalsContact O-CB 3.3Å; L133-L137 WeakPolarHBondContact O-CB 3.48Å; L133-L137 WeakPolarHBondContact O-CG 3.22Å; L133-L137 PolarHBondContact O-N 3.05Å; V134-L137 PolarHBondContact O-N 2.86Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 PolarHBondContact O-N 2.86Å; L137-L140 PolarHBondContact O-N 3.32Å; L137-V141 VanDerWaalsContact O-CB 3.28Å; L137-V141 WeakPolarHBondContact O-CB 3.39Å; L137-V141 WeakPolarHBondContact O-CG2 3.16Å; L137-V141 PolarHBondContact O-N 2.89Å; L137-L159 HydrophobicContact CD1-CD1 3.76Å; L137-V180 HydrophobicContact CB-CG1 3.43Å; L137-V180 VanDerWaalsContact CB-CG1 3.43Å; L137-V180 HydrophobicContact CD1-CG1 4.19Å; L137-V180 HydrophobicContact CD1-CG2 4.44Å; L137-V180 HydrophobicContact CG-CG1 4.43Å
138R95.6Very high94.3Very high38 Ų3832.9 Ų32.914%0.14316%0.156CC..Hα-helixtrans-58-44177.2-76.5175.7169.4159.10.9112.1W123 V134 A135 V141 A142 E178 L179W123-R138 HydrophobicContact CE3-CB 3.75Å; W123-R138 HydrophobicContact CZ3-CB 4.05Å; V134-R138 WeakPolarHBondContact O-CB 3.37Å; V134-R138 VanDerWaalsContact O-CG 3.32Å; V134-R138 WeakPolarHBondContact O-CG 3.2Å; V134-R138 PolarHBondContact O-N 2.85Å; A135-R138 PolarHBondContact O-N 3.29Å; R138-V141 PolarHBondContact O-N 2.92Å; R138-A142 WeakPolarHBondContact O-CB 3.46Å; R138-A142 PolarHBondContact O-N 2.97Å; R138-E178 IonicContact CZ-OE2 2.91Å; R138-E178 IonicContact NH1-OE2 3.2Å; R138-E178 PolarHBondContact NH1-OE2 3.39Å; R138-E178 IonicContact NH2-OE2 3.96Å; R138-E178 PolarHBondContact NH2-OE2 3.44Å; R138-L179 VanDerWaalsContact CZ-O 3.29Å; R138-L179 PolarHBondContact NE-O 3.18Å; R138-L179 PolarHBondContact NH2-O 2.95Å
139L96.9Very high93.7Very high1 Ų137.7 Ų37.71%0.00519%0.188CC..Hα-helixtrans-60.3-48.8176.8177.563.1000111.5L73 I108 W123 A135 I136 L137 A142 L143L73-L139 HydrophobicContact CD1-CD2 3.82Å; L73-L139 HydrophobicContact CD2-CD2 4.18Å; I108-L139 HydrophobicContact CD1-CD1 4.42Å; I108-L139 HydrophobicContact CG2-CD1 3.68Å; W123-L139 HydrophobicContact CB-CB 4.19Å; W123-L139 HydrophobicContact CD2-CB 4.08Å; W123-L139 HydrophobicContact CD2-CD1 4.03Å; W123-L139 HydrophobicContact CE3-CB 4.22Å; W123-L139 HydrophobicContact CG-CB 4.07Å; W123-L139 HydrophobicContact CG-CD1 4.07Å; W123-L139 HydrophobicContact CZ2-CD1 4.38Å; A135-L139 WeakPolarHBondContact O-CB 3.35Å; A135-L139 PolarHBondContact O-N 2.97Å; I136-L139 PolarHBondContact O-N 2.98Å; L137-L139 VanDerWaalsContact C-N 3.32Å; L137-L139 PolarHBondContact O-N 2.86Å; L139-A142 PolarHBondContact O-N 3.35Å; L139-L143 WeakPolarHBondContact O-CG 3.14Å; L139-L143 PolarHBondContact O-N 3.48Å
140L97.6Very high93Very high0 Ų041.1 Ų41.10%022%0.221CC..Hα-helixtrans-67.2-40.5-179.5-68.2176.5000112.5L45 W48 I49 L63 L67 L73 L76 I136 L137 A142 L143 V144L45-L140 HydrophobicContact CB-CD1 4.3Å; L45-L140 HydrophobicContact CD1-CB 3.87Å; L45-L140 HydrophobicContact CD1-CD1 4.06Å; L45-L140 HydrophobicContact CD2-CB 3.95Å; L45-L140 HydrophobicContact CG-CB 4.4Å; W48-L140 HydrophobicContact CZ3-CD2 4.31Å; I49-L140 HydrophobicContact CD1-CD1 3.98Å; I49-L140 HydrophobicContact CD1-CD2 3.79Å; I49-L140 HydrophobicContact CG1-CD2 4.47Å; L63-L140 HydrophobicContact CD1-CD1 4.14Å; L63-L140 HydrophobicContact CD2-CD1 3.8Å; L67-L140 HydrophobicContact CD2-CD1 3.72Å; L67-L140 HydrophobicContact CD2-CD2 3.88Å; L67-L140 HydrophobicContact CD2-CG 4.12Å; L73-L140 HydrophobicContact CD2-CD2 4.07Å; L76-L140 HydrophobicContact CD2-CD2 4.47Å; I136-L140 HydrophobicContact CG2-CD1 3.96Å; I136-L140 HydrophobicContact CG2-CG 4.47Å; I136-L140 VanDerWaalsContact O-CG 3.3Å; I136-L140 WeakPolarHBondContact O-CG 3.3Å; I136-L140 PolarHBondContact O-N 3.14Å; L137-L140 PolarHBondContact O-N 3.32Å; L140-A142 VanDerWaalsContact C-N 3.3Å; L140-A142 PolarHBondContact O-N 3.18Å; L140-L143 HydrophobicContact CD2-CD1 4.41Å; L140-L143 PolarHBondContact O-N 2.89Å; L140-V144 WeakPolarHBondContact O-CG2 3.33Å; L140-V144 PolarHBondContact O-N 3.14Å
141V95.7Very high92.6Very high9 Ų938.3 Ų38.36%0.05521%0.206CC..Hα-helixtrans-57.7-45.8173.91680000110L41 L45 L137 R138 L143 V144 H145 L153 V180 T181L41-V141 HydrophobicContact CD1-CG2 4.07Å; L41-V141 HydrophobicContact CD2-CG2 4.22Å; L45-V141 HydrophobicContact CD1-CG2 4.5Å; L137-V141 VanDerWaalsContact O-CB 3.28Å; L137-V141 WeakPolarHBondContact O-CB 3.39Å; L137-V141 WeakPolarHBondContact O-CG2 3.16Å; L137-V141 PolarHBondContact O-N 2.89Å; R138-V141 PolarHBondContact O-N 2.92Å; V141-L143 PolarHBondContact O-N 2.94Å; V141-V144 PolarHBondContact O-N 2.75Å; V141-H145 VanDerWaalsContact CG1-CE1 3.4Å; V141-H145 WeakPolarHBondContact CG1-CE1 3.48Å; V141-H145 WeakPolarHBondContact CG1-ND1 3.27Å; V141-H145 PolarHBondContact O-N 3.27Å; V141-H145 PolarHBondContact O-ND1 3.17Å; V141-L153 HydrophobicContact CB-CD1 4.36Å; V141-L153 HydrophobicContact CG1-CD1 4.27Å; V141-L153 HydrophobicContact CG2-CD1 4.04Å; V141-V180 HydrophobicContact CG2-CG1 4.19Å; V141-T181 HydrophobicContact CG1-CG2 4.02Å; V141-T181 HydrophobicContact CG2-CG2 3.71Å
142A93.3Very high92.2Very high25 Ų2540.2 Ų40.221%0.20722%0.222CC..Hα-helixtrans-62.5-41.6177.200000112.2L112 W123 R138 L139 L140 H145 K146L112-A142 HydrophobicContact CD1-CB 3.83Å; L112-A142 HydrophobicContact CD2-CB 4.28Å; W123-A142 HydrophobicContact CH2-CB 3.68Å; W123-A142 HydrophobicContact CZ2-CB 4.5Å; W123-A142 HydrophobicContact CZ3-CB 4.09Å; R138-A142 WeakPolarHBondContact O-CB 3.46Å; R138-A142 PolarHBondContact O-N 2.97Å; L139-A142 PolarHBondContact O-N 3.35Å; L140-A142 VanDerWaalsContact C-N 3.3Å; L140-A142 PolarHBondContact O-N 3.18Å; A142-H145 PolarHBondContact O-N 3.1Å; A142-K146 PolarHBondContact O-N 3.4Å; A142-K146 VanDerWaalsContact O-N 3.14Å
143L95.7Very high92Very high1 Ų138.8 Ų38.81%0.00521%0.214CC..Hα-helixtrans-63.2-44.8175.6-71.3172.1000112.5W48 L76 I77 I108 L112 L139 L140 V141 K146 F147W48-L143 HydrophobicContact CH2-CB 3.71Å; W48-L143 HydrophobicContact CZ3-CB 4.31Å; L76-L143 HydrophobicContact CD2-CD1 4.17Å; I77-L143 HydrophobicContact CD1-CD2 4.14Å; I108-L143 HydrophobicContact CD1-CD1 4.44Å; I108-L143 HydrophobicContact CG1-CD2 4.45Å; I108-L143 HydrophobicContact CG2-CD2 3.69Å; I108-L143 HydrophobicContact CG2-CG 4.25Å; L112-L143 HydrophobicContact CD2-CD2 4.42Å; L139-L143 WeakPolarHBondContact O-CG 3.14Å; L139-L143 PolarHBondContact O-N 3.48Å; L140-L143 HydrophobicContact CD2-CD1 4.41Å; L140-L143 PolarHBondContact O-N 2.89Å; V141-L143 PolarHBondContact O-N 2.94Å; L143-K146 PolarHBondContact O-N 3.47Å; L143-F147 HydrophobicContact CB-CD2 4.45Å; L143-F147 HydrophobicContact CD2-CD2 3.92Å; L143-F147 HydrophobicContact CD2-CE2 3.67Å; L143-F147 WeakPolarHBondContact O-CB 3.4Å; L143-F147 VanDerWaalsContact O-CD2 3.32Å; L143-F147 WeakPolarHBondContact O-CD2 3.42Å; L143-F147 PolarHBondContact O-N 3.35Å
144V93.7Very high91.6Very high1 Ų139.7 Ų39.71%0.00622%0.221CC..Hα-helixtrans-61.9-46.5177.7171.40000111L45 W48 L140 V141 K146 F147 S148 I151 L153L45-V144 HydrophobicContact CD2-CG2 3.68Å; W48-V144 HydrophobicContact CD2-CG2 3.53Å; W48-V144 HydrophobicContact CE3-CG2 3.31Å; W48-V144 HydrophobicContact CG-CG2 4.23Å; W48-V144 HydrophobicContact CH2-CG2 3.93Å; W48-V144 HydrophobicContact CZ2-CG2 4.11Å; W48-V144 HydrophobicContact CZ3-CG2 3.53Å; L140-V144 WeakPolarHBondContact O-CG2 3.33Å; L140-V144 PolarHBondContact O-N 3.14Å; V141-V144 PolarHBondContact O-N 2.75Å; V144-K146 PolarHBondContact O-N 2.96Å; V144-F147 PolarHBondContact O-N 2.96Å; V144-S148 CarbonylContact O-C 3.39Å; V144-S148 VanDerWaalsContact O-CA 3.29Å; V144-S148 WeakPolarHBondContact O-CA 3.06Å; V144-S148 PolarHBondContact O-N 2.94Å; V144-I151 HydrophobicContact CG1-CB 3.86Å; V144-I151 HydrophobicContact CG1-CG2 4.1Å; V144-L153 HydrophobicContact CB-CD1 3.96Å; V144-L153 HydrophobicContact CG1-CD1 3.84Å; V144-L153 HydrophobicContact CG1-CD2 4.26Å; V144-L153 HydrophobicContact CG1-CG 4.02Å; V144-L153 HydrophobicContact CG2-CD1 4.44Å
145H88.8Confident91.1Very high112 Ų11246.5 Ų46.552%0.51925%0.246SC..Hα-helixtrans-57.9-38.1177.9-77101.7000112V141 A142V141-H145 VanDerWaalsContact CG1-CE1 3.4Å; V141-H145 WeakPolarHBondContact CG1-CE1 3.48Å; V141-H145 WeakPolarHBondContact CG1-ND1 3.27Å; V141-H145 PolarHBondContact O-N 3.27Å; V141-H145 PolarHBondContact O-ND1 3.17Å; A142-H145 PolarHBondContact O-N 3.1Å
146K87.6Confident90.6Very high124 Ų12452.5 Ų52.554%0.53927%0.272SS..Hα-helixtrans-77.9-46.6-179-173.965171.4-1700113.5L112 A142 L143 V144L112-K146 HydrophobicContact CD2-CB 3.74Å; L112-K146 HydrophobicContact CD2-CG 4.12Å; A142-K146 PolarHBondContact O-N 3.4Å; A142-K146 VanDerWaalsContact O-N 3.14Å; L143-K146 PolarHBondContact O-N 3.47Å; V144-K146 PolarHBondContact O-N 2.96Å
147F91.6Very high90.3Very high54 Ų5452.4 Ų52.424%0.23727%0.271CS..Hα-helixtrans-106.6-14.6-166.9-62.6-71.9000114I77 L80 L81 A111 L143 V144I77-F147 HydrophobicContact CD1-CE2 4.24Å; I77-F147 HydrophobicContact CD1-CZ 4.39Å; L80-F147 HydrophobicContact CB-CD1 4.24Å; L80-F147 HydrophobicContact CB-CG 4.26Å; L80-F147 HydrophobicContact CD1-CB 4.08Å; L80-F147 HydrophobicContact CD1-CD2 3.83Å; L80-F147 HydrophobicContact CD1-CG 3.97Å; L80-F147 HydrophobicContact CD2-CB 4Å; L80-F147 HydrophobicContact CD2-CG 4.45Å; L80-F147 HydrophobicContact CG-CB 4.48Å; L80-F147 HydrophobicContact CG-CG 4.45Å; L81-F147 HydrophobicContact CD2-CE1 3.65Å; L81-F147 HydrophobicContact CD2-CZ 3.73Å; A111-F147 HydrophobicContact CB-CZ 4.07Å; L143-F147 HydrophobicContact CB-CD2 4.45Å; L143-F147 HydrophobicContact CD2-CD2 3.92Å; L143-F147 HydrophobicContact CD2-CE2 3.67Å; L143-F147 WeakPolarHBondContact O-CB 3.4Å; L143-F147 VanDerWaalsContact O-CD2 3.32Å; L143-F147 WeakPolarHBondContact O-CD2 3.42Å; L143-F147 PolarHBondContact O-N 3.35Å; V144-F147 PolarHBondContact O-N 2.96Å
148S90.2Very high90Very high16 Ų1656.9 Ų56.911%0.11229%0.292CS..  trans-14455.5-178.7-59.10000111.9W48 V144 A150 I151W48-S148 PolarHBondContact NE1-OG 3.24Å; V144-S148 CarbonylContact O-C 3.39Å; V144-S148 VanDerWaalsContact O-CA 3.29Å; V144-S148 WeakPolarHBondContact O-CA 3.06Å; V144-S148 PolarHBondContact O-N 2.94Å; S148-A150 PolarHBondContact O-N 3.26Å; S148-I151 WeakPolarHBondContact O-CB 2.99Å; S148-I151 PolarHBondContact O-N 3.3Å
149P83Confident89.9Confident102 Ų10255.1 Ų55.166%0.66229%0.285SS*.THydrogen-bonded Turntrans-63.1-14.5-175.927.4-36.7000114I151P149-I151 PolarHBondContact O-N 2.81Å
150A81.6Confident89.7Confident96 Ų9656.3 Ų56.379%0.79329%0.293SS*.THydrogen-bonded Turntrans-69.2-18.3172.200000113.2S148S148-A150 PolarHBondContact O-N 3.26Å
151I85.2Confident89.4Confident57 Ų5756.8 Ų56.829%0.29230%0.296SS..SBendtrans-84116.7177.3-59.5178.5000108.7W48 V144 S148 P149 L153W48-I151 HydrophobicContact CB-CD1 3.91Å; W48-I151 HydrophobicContact CG-CD1 3.62Å; V144-I151 HydrophobicContact CG1-CB 3.86Å; V144-I151 HydrophobicContact CG1-CG2 4.1Å; S148-I151 WeakPolarHBondContact O-CB 2.99Å; S148-I151 PolarHBondContact O-N 3.3Å; P149-I151 PolarHBondContact O-N 2.81Å; I151-L153 HydrophobicContact CG2-CD2 3.92Å; I151-L153 PolarHBondContact O-N 3.3Å
152I85Confident89.1Confident147 Ų14758 Ų5875%0.75430%0.302SS*.  trans-87.6110178.9-56.8173.8000108.6
153L89.8Confident88.9Confident16 Ų1657.3 Ų57.38%0.08429%0.294CS..PPolyproline II helixtrans-86.2149.9176-60.7-179.2000111.7L41 L45 V141 V144 I151 R155L41-L153 HydrophobicContact CD1-CB 4.06Å; L41-L153 HydrophobicContact CD1-CD1 4.16Å; L41-L153 HydrophobicContact CD1-CD2 4.04Å; L41-L153 HydrophobicContact CD1-CG 4.32Å; L45-L153 HydrophobicContact CD2-CD1 4.26Å; L45-L153 HydrophobicContact CD2-CD2 4.12Å; V141-L153 HydrophobicContact CB-CD1 4.36Å; V141-L153 HydrophobicContact CG1-CD1 4.27Å; V141-L153 HydrophobicContact CG2-CD1 4.04Å; V144-L153 HydrophobicContact CB-CD1 3.96Å; V144-L153 HydrophobicContact CG1-CD1 3.84Å; V144-L153 HydrophobicContact CG1-CD2 4.26Å; V144-L153 HydrophobicContact CG1-CG 4.02Å; V144-L153 HydrophobicContact CG2-CD1 4.44Å; I151-L153 HydrophobicContact CG2-CD2 3.92Å; I151-L153 PolarHBondContact O-N 3.3Å; L153-R155 PolarHBondContact O-N 3.41Å
154P86.9Confident88.6Confident26 Ų2658.7 Ų58.717%0.16930%0.303CS..PPolyproline II helixtrans-55.8132.9171-24.634.2000111.5L37 D40 L41 V157 T181L37-P154 HydrophobicContact CD2-CB 4.41Å; D40-P154 HydrophobicContact CB-CG 4.07Å; L41-P154 HydrophobicContact CB-CG 4.19Å; P154-V157 HydrophobicContact CB-CG2 3.8Å; P154-V157 WeakPolarHBondContact O-CG2 3.4Å; P154-T181 WeakPolarHBondContact O-CB 3.21Å; P154-T181 WeakPolarHBondContact O-CG2 3.43Å; P154-T181 PolarHBondContact O-OG1 3.16Å
155R85.7Confident88.2Confident148 Ų14863.8 Ų63.856%0.55832%0.322SS*.SBendtrans-89.7158.3-177.8-59.9-178.7-179.8-164.4-5.2111.3L153 V157L153-R155 PolarHBondContact O-N 3.41Å; R155-V157 PolarHBondContact O-N 3.33Å
156K83.2Confident88.1Confident127 Ų12761.2 Ų61.255%0.55231%0.309SS*.SBendtrans55.332.9177-48.7-171.7-170.3-156.40113.3Q158 T181 D182 V183K156-Q158 PolarHBondContact O-N 3.3Å; K156-T181 PolarHBondContact N-OG1 3.41Å; K156-D182 PolarHBondContact N-O 3.33Å; K156-V183 HydrophobicContact CD-CG1 3.99Å; K156-V183 VanDerWaalsContact CE-CG1 3.42Å; K156-V183 HydrophobicContact CG-CB 4.37Å; K156-V183 HydrophobicContact CG-CG1 4.16Å; K156-V183 HydrophobicContact CG-CG2 4.26Å
157V91.7Very high88Confident1 Ų158 Ų581%0.00630%0.298CS..  trans-73.6123.6175.5-179.10000107.1L37 V38 L41 P154 R155 V180 T181L37-V157 HydrophobicContact CB-CG2 4.12Å; V38-V157 HydrophobicContact CB-CG1 4.43Å; V38-V157 HydrophobicContact CG2-CG1 3.7Å; L41-V157 HydrophobicContact CB-CG2 4.26Å; L41-V157 HydrophobicContact CD2-CB 4.09Å; L41-V157 HydrophobicContact CD2-CG1 3.8Å; L41-V157 HydrophobicContact CD2-CG2 4.1Å; P154-V157 HydrophobicContact CB-CG2 3.8Å; P154-V157 WeakPolarHBondContact O-CG2 3.4Å; R155-V157 PolarHBondContact O-N 3.33Å; V157-V180 HydrophobicContact CB-CB 4.34Å; V157-V180 HydrophobicContact CG1-CB 4.25Å; V157-V180 WeakPolarHBondContact O-CB 2.89Å; V157-V180 PolarHBondContact O-N 3.42Å; V157-T181 HydrophobicContact CB-CG2 4.21Å; V157-T181 WeakPolarHBondContact CB-OG1 3.42Å; V157-T181 HydrophobicContact CG2-CG2 4.22Å; V157-T181 WeakPolarHBondContact CG2-OG1 3.38Å; V157-T181 PolarHBondContact N-OG1 2.75Å; V157-T181 PolarHBondContact O-N 2.72Å
158Q92.3Very high87.7Confident94 Ų9462.2 Ų62.244%0.43932%0.322SS..EExtended strand (participates in β ladder)trans-133.8148.3178.965.8-176.92600110.4K156 I177 E178 L179K156-Q158 PolarHBondContact O-N 3.3Å; Q158-I177 HydrophobicContact CB-CG2 3.84Å; Q158-I177 HydrophobicContact CG-CG2 4.07Å; Q158-E178 CarbonylContact C-O 3.58Å; Q158-E178 VanDerWaalsContact CA-O 3.25Å; Q158-E178 WeakPolarHBondContact CA-O 3.41Å; Q158-L179 HydrophobicContact CB-CD1 4.31Å
159L93.2Very high87.4Confident0 Ų063.6 Ų63.60%034%0.34CS..EExtended strand (participates in β ladder)trans-120.1130.4178-78.1156.7000109.6I28 S32 V38 V134 L137 E178 V180I28-L159 HydrophobicContact CD1-CD1 4.42Å; I28-L159 HydrophobicContact CD1-CD2 4.5Å; I28-L159 HydrophobicContact CG2-CD2 3.71Å; S32-L159 WeakPolarHBondContact OG-CA 3.21Å; V38-L159 HydrophobicContact CG1-CD2 4.01Å; V38-L159 HydrophobicContact CG2-CD2 3.92Å; V38-L159 HydrophobicContact CG2-CG 4.13Å; V134-L159 HydrophobicContact CG2-CB 3.94Å; V134-L159 HydrophobicContact CG2-CD1 3.72Å; V134-L159 HydrophobicContact CG2-CG 4.47Å; L137-L159 HydrophobicContact CD1-CD1 3.76Å; L159-E178 PolarHBondContact N-O 2.77Å; L159-E178 PolarHBondContact O-N 2.86Å; L159-V180 HydrophobicContact CD1-CG2 3.74Å; L159-V180 HydrophobicContact CG-CG2 4.35Å
160T91.9Very high87.5Confident27 Ų2764 Ų6417%0.16634%0.335CS..EExtended strand (participates in β ladder)trans-84.2118.4170.4-54.10000109.3E29 S32 R175E29-T160 HydrophobicContact CG-CG2 4.21Å; E29-T160 PolarHBondContact N-O 3.46Å; E29-T160 VanDerWaalsContact OE2-CG2 3.31Å; E29-T160 WeakPolarHBondContact OE2-CG2 3.48Å; S32-T160 PolarHBondContact OG-N 3.09Å; T160-R175 HydrophobicContact CG2-CB 4.13Å; T160-R175 HydrophobicContact CG2-CG 4.33Å
161V92.2Very high87.9Confident10 Ų1062.9 Ų62.96%0.06132%0.315CS..EExtended strand (participates in β ladder)trans-103127176.7-176.60000109.2M27 I28 V134 I163 R175 Q176 E178M27-V161 CarbonylContact O-C 3.54Å; M27-V161 WeakPolarHBondContact O-CA 3.37Å; I28-V161 HydrophobicContact CG1-CG2 4.28Å; V134-V161 HydrophobicContact CG2-CG2 3.94Å; V161-I163 HydrophobicContact CG1-CG1 4.14Å; V161-R175 WeakPolarHBondContact O-CA 3.02Å; V161-Q176 PolarHBondContact N-O 2.94Å; V161-Q176 PolarHBondContact O-N 2.92Å; V161-E178 HydrophobicContact CB-CG 4.39Å; V161-E178 HydrophobicContact CG2-CB 4.32Å; V161-E178 HydrophobicContact CG2-CG 3.6Å
162L89.2Confident88Confident34 Ų3465.3 Ų65.318%0.17833%0.325CS..EExtended strand (participates in β ladder)trans-88.1117.7169-173.570.4000108.8S26 M27 E29 V164 H173 R175S26-L162 WeakPolarHBondContact CA-O 3.42Å; M27-L162 HydrophobicContact CG-CB 4.07Å; M27-L162 HydrophobicContact CG-CD2 4.49Å; M27-L162 PolarHBondContact N-O 2.73Å; M27-L162 PolarHBondContact O-N 3.14Å; M27-L162 HydrophobicContact SD-CD2 4.44Å; E29-L162 HydrophobicContact CG-CB 4.32Å; L162-V164 HydrophobicContact CD2-CG2 4.25Å; L162-V164 HydrophobicContact CG-CG2 4.2Å; L162-H173 HydrophobicContact CD1-CB 4.07Å; L162-R175 HydrophobicContact CD1-CG 4.1Å
163I87.9Confident88.2Confident10 Ų1064 Ų645%0.05132%0.316CS..EExtended strand (participates in β ladder)trans-103.7120.2178.4-64.3175.7000107.6E24 V161 H173 R174 Q176E24-I163 HydrophobicContact CG-CG2 3.47Å; E24-I163 VanDerWaalsContact CG-CG2 3.47Å; E24-I163 WeakPolarHBondContact OE1-CG2 3.37Å; V161-I163 HydrophobicContact CG1-CG1 4.14Å; I163-H173 CarbonylContact O-C 3.51Å; I163-H173 WeakPolarHBondContact O-CA 3.25Å; I163-R174 HydrophobicContact CB-CG 3.87Å; I163-R174 VanDerWaalsContact CD1-NH2 3.34Å; I163-R174 HydrophobicContact CG2-CG 4.25Å; I163-R174 PolarHBondContact N-O 3.4Å; I163-R174 PolarHBondContact O-N 3.3Å; I163-Q176 HydrophobicContact CD1-CB 3.88Å; I163-Q176 HydrophobicContact CD1-CG 4.48Å
164V89.7Confident88.2Confident30 Ų3069.4 Ų69.418%0.18234%0.335CS..EExtended strand (participates in β ladder)trans-113.6126.3177.8-1740000109L19 E24 R25 L162 L171 Q172 H173L19-V164 HydrophobicContact CD1-CB 4.4Å; L19-V164 HydrophobicContact CD1-CG1 3.96Å; E24-V164 WeakPolarHBondContact CA-O 3.45Å; R25-V164 PolarHBondContact N-O 2.72Å; R25-V164 PolarHBondContact O-N 2.75Å; L162-V164 HydrophobicContact CD2-CG2 4.25Å; L162-V164 HydrophobicContact CG-CG2 4.2Å; V164-L171 HydrophobicContact CG1-CB 4.35Å; V164-L171 HydrophobicContact CG1-CD2 4.23Å; V164-Q172 WeakPolarHBondContact CA-O 3.45Å; V164-H173 HydrophobicContact CG2-CB 4.17Å
165R86.7Confident88.3Confident108 Ų10875.1 Ų75.141%0.40835%0.353SS..EExtended strand (participates in β ladder)trans-130.2143179.5-169.2173.5-163179.58.9110.6G22 E23 E24 I167 Q172G22-R165 PolarHBondContact O-NE 3.3Å; G22-R165 VanDerWaalsContact O-NE 3.15Å; G22-R165 PolarHBondContact O-NH2 3.24Å; E23-R165 WeakPolarHBondContact O-CA 3.46Å; E23-R165 WeakPolarHBondContact O-CG 3.27Å; E24-R165 HydrophobicContact CB-CG 4.35Å; E24-R165 HydrophobicContact CG-CB 4.46Å; R165-I167 HydrophobicContact CG-CG1 4.12Å; R165-Q172 PolarHBondContact N-O 3.31Å; R165-Q172 PolarHBondContact O-N 2.66Å
166K86Confident88.4Confident58 Ų5871 Ų7125%0.25234%0.34SS..EExtended strand (participates in β ladder)trans-97.3119.9173.8-166.8174.2176.4175.10111L19 G22 E23 I170 L171L19-K166 HydrophobicContact CB-CB 4Å; L19-K166 HydrophobicContact CB-CD 4.31Å; L19-K166 WeakPolarHBondContact O-CD 3.39Å; L19-K166 PolarHBondContact O-NZ 2.94Å; G22-K166 WeakPolarHBondContact CA-O 3.35Å; G22-K166 PolarHBondContact N-O 2.82Å; E23-K166 PolarHBondContact O-N 2.93Å; K166-I170 WeakPolarHBondContact CA-O 3.29Å; K166-L171 HydrophobicContact CB-CD2 3.91Å; K166-L171 HydrophobicContact CD-CD2 4.37Å; K166-L171 HydrophobicContact CG-CD2 4.1Å
167I84.2Confident88.7Confident57 Ų5769.9 Ų69.929%0.29234%0.339SS..EExtended strand (participates in β ladder)trans-132.2125.9177.2-53.3-178.4000109.2E21 R165 G169 I170E21-I167 VanDerWaalsContact OE1-C 3.28Å; E21-I167 VanDerWaalsContact OE1-CA 3.26Å; E21-I167 WeakPolarHBondContact OE1-CA 3.33Å; R165-I167 HydrophobicContact CG-CG1 4.12Å; I167-G169 PolarHBondContact O-N 3.08Å; I167-I170 PolarHBondContact N-O 2.92Å; I167-I170 PolarHBondContact O-N 2.71Å
168N87.3Confident88.7Confident142 Ų14271.4 Ų71.476%0.75935%0.347SS*.THydrogen-bonded Turntrans48.643.5-172.6-59.3-42.1000112.8E21 I170E21-N168 WeakPolarHBondContact OE1-CA 3.24Å; E21-N168 PolarHBondContact OE1-N 3.18Å; N168-I170 PolarHBondContact O-N 2.78Å
169G83.3Confident88.5Confident46 Ų4670 Ų7047%0.47434%0.342SS..THydrogen-bonded Turntrans75.2-4.9-177.400000115.5E21 I167E21-G169 PolarHBondContact OE2-N 3.1Å; I167-G169 PolarHBondContact O-N 3.08Å
170I85.3Confident88.4Confident111 Ų11170.6 Ų70.657%0.56935%0.345SS*.EExtended strand (participates in β ladder)trans-99.4132.5179.9-58.1174.4000109.3K166 I167 N168 Q172K166-I170 WeakPolarHBondContact CA-O 3.29Å; I167-I170 PolarHBondContact N-O 2.92Å; I167-I170 PolarHBondContact O-N 2.71Å; N168-I170 PolarHBondContact O-N 2.78Å; I170-Q172 PolarHBondContact O-N 2.66Å
171L88.8Confident88.2Confident71 Ų7169.6 Ų69.637%0.37234%0.339SS..EExtended strand (participates in β ladder)trans-76.9116.5169.9-63.9179000109.4Y17 L19 V164 K166Y17-L171 HydrophobicContact CD1-CD1 4.07Å; L19-L171 HydrophobicContact CB-CD2 4.44Å; L19-L171 HydrophobicContact CD1-CD2 3.93Å; V164-L171 HydrophobicContact CG1-CB 4.35Å; V164-L171 HydrophobicContact CG1-CD2 4.23Å; K166-L171 HydrophobicContact CB-CD2 3.91Å; K166-L171 HydrophobicContact CD-CD2 4.37Å; K166-L171 HydrophobicContact CG-CD2 4.1Å
172Q88.1Confident87.3Confident108 Ų10871.4 Ų71.451%0.50535%0.348SS..EExtended strand (participates in β ladder)trans-102.5141.3169.3-63.9-172.8-1000108.8V164 R165 I170V164-Q172 WeakPolarHBondContact CA-O 3.45Å; R165-Q172 PolarHBondContact N-O 3.31Å; R165-Q172 PolarHBondContact O-N 2.66Å; I170-Q172 PolarHBondContact O-N 2.66Å
173H89.6Confident85.6Confident121 Ų12172 Ų7256%0.5635%0.354SS*.EExtended strand (participates in β ladder)trans-125.4146.7175.270-85.6000110.7L162 I163 V164L162-H173 HydrophobicContact CD1-CB 4.07Å; I163-H173 CarbonylContact O-C 3.51Å; I163-H173 WeakPolarHBondContact O-CA 3.25Å; V164-H173 HydrophobicContact CG2-CB 4.17Å
174R89.4Confident83.4Confident128 Ų12873 Ų7348%0.48337%0.365SS..EExtended strand (participates in β ladder)trans-138.6148.4171.165.7-174.4-178103.44.8109.8E24 I163E24-R174 IonicContact OE1-NH2 3.33Å; I163-R174 HydrophobicContact CB-CG 3.87Å; I163-R174 VanDerWaalsContact CD1-NH2 3.34Å; I163-R174 HydrophobicContact CG2-CG 4.25Å; I163-R174 PolarHBondContact N-O 3.4Å; I163-R174 PolarHBondContact O-N 3.3Å
175R89.1Confident81Confident146 Ų14676 Ų7655%0.55138%0.381SS*.EExtended strand (participates in β ladder)trans-94.5136171.7-68.9178.6176.386.78108.8E29 T160 V161 L162E29-R175 IonicContact OE1-CZ 2.95Å; E29-R175 IonicContact OE1-NE 3.78Å; E29-R175 PolarHBondContact OE1-NE 3.27Å; E29-R175 IonicContact OE1-NH2 2.56Å; E29-R175 PolarHBondContact OE1-NH2 2.91Å; E29-R175 IonicContact OE2-NE 2.78Å; T160-R175 HydrophobicContact CG2-CB 4.13Å; T160-R175 HydrophobicContact CG2-CG 4.33Å; V161-R175 WeakPolarHBondContact O-CA 3.02Å; L162-R175 HydrophobicContact CD1-CG 4.1Å
176Q87.9Confident78.9Confident61 Ų6176.4 Ų76.429%0.28539%0.387SS..EExtended strand (participates in β ladder)trans-129.7131.4176-177.6163.8-42.900108.2V161 I163 E178V161-Q176 PolarHBondContact N-O 2.94Å; V161-Q176 PolarHBondContact O-N 2.92Å; I163-Q176 HydrophobicContact CD1-CB 3.88Å; I163-Q176 HydrophobicContact CD1-CG 4.48Å; Q176-E178 PolarHBondContact NE2-OE1 2.78Å
177I89.6Confident76.7Confident104 Ų10479.8 Ų79.853%0.53340%0.404SS..EExtended strand (participates in β ladder)trans-90.2122.8175.6-61.3174.4000107.2Q158Q158-I177 HydrophobicContact CB-CG2 3.84Å; Q158-I177 HydrophobicContact CG-CG2 4.07Å
178E90.8Very high74.7Confident34 Ų3482 Ų8216%0.15942%0.416CS..EExtended strand (participates in β ladder)trans-105.3115.3176.7-67.8-64.8153.400109.7V134 R138 Q158 L159 V161 Q176V134-E178 HydrophobicContact CG1-CB 3.75Å; V134-E178 HydrophobicContact CG1-CG 4.1Å; V134-E178 HydrophobicContact CG2-CB 4.12Å; V134-E178 HydrophobicContact CG2-CG 4.34Å; R138-E178 IonicContact CZ-OE2 2.91Å; R138-E178 IonicContact NH1-OE2 3.2Å; R138-E178 PolarHBondContact NH1-OE2 3.39Å; R138-E178 IonicContact NH2-OE2 3.96Å; R138-E178 PolarHBondContact NH2-OE2 3.44Å; Q158-E178 CarbonylContact C-O 3.58Å; Q158-E178 VanDerWaalsContact CA-O 3.25Å; Q158-E178 WeakPolarHBondContact CA-O 3.41Å; L159-E178 PolarHBondContact N-O 2.77Å; L159-E178 PolarHBondContact O-N 2.86Å; V161-E178 HydrophobicContact CB-CG 4.39Å; V161-E178 HydrophobicContact CG2-CB 4.32Å; V161-E178 HydrophobicContact CG2-CG 3.6Å; Q176-E178 PolarHBondContact NE2-OE1 2.78Å
179L89Confident72.6Confident65 Ų6578.1 Ų78.134%0.3440%0.396SS..EExtended strand (participates in β ladder)trans-76.7129173.6-170.269.4000110.2R138 Q158 T181 V183R138-L179 VanDerWaalsContact CZ-O 3.29Å; R138-L179 PolarHBondContact NE-O 3.18Å; R138-L179 PolarHBondContact NH2-O 2.95Å; Q158-L179 HydrophobicContact CB-CD1 4.31Å; L179-T181 VanDerWaalsContact CD1-O 3.28Å; L179-T181 WeakPolarHBondContact CD1-O 3.2Å; L179-T181 WeakPolarHBondContact CG-O 3.49Å; L179-V183 HydrophobicContact CD2-CG2 4.14Å
180V91.4Very high70.9Confident11 Ų1179.1 Ų79.17%0.06739%0.393CS..  trans-103.1-45.7-178.5177.20000111.5L41 L137 V141 V157 L159L41-V180 HydrophobicContact CD2-CG1 3.68Å; L137-V180 HydrophobicContact CB-CG1 3.43Å; L137-V180 VanDerWaalsContact CB-CG1 3.43Å; L137-V180 HydrophobicContact CD1-CG1 4.19Å; L137-V180 HydrophobicContact CD1-CG2 4.44Å; L137-V180 HydrophobicContact CG-CG1 4.43Å; V141-V180 HydrophobicContact CG2-CG1 4.19Å; V157-V180 HydrophobicContact CB-CB 4.34Å; V157-V180 HydrophobicContact CG1-CB 4.25Å; V157-V180 WeakPolarHBondContact O-CB 2.89Å; V157-V180 PolarHBondContact O-N 3.42Å; L159-V180 HydrophobicContact CD1-CG2 3.74Å; L159-V180 HydrophobicContact CG-CG2 4.35Å
181T86.6Confident69.2Low6 Ų678.4 Ų78.44%0.03739%0.387CS..SBendtrans-116.5143.817661.30000110.2L41 V141 P154 K156 V157 L179L41-T181 HydrophobicContact CD1-CG2 4.09Å; L41-T181 HydrophobicContact CD2-CG2 3.9Å; V141-T181 HydrophobicContact CG1-CG2 4.02Å; V141-T181 HydrophobicContact CG2-CG2 3.71Å; P154-T181 WeakPolarHBondContact O-CB 3.21Å; P154-T181 WeakPolarHBondContact O-CG2 3.43Å; P154-T181 PolarHBondContact O-OG1 3.16Å; K156-T181 PolarHBondContact N-OG1 3.41Å; V157-T181 HydrophobicContact CB-CG2 4.21Å; V157-T181 WeakPolarHBondContact CB-OG1 3.42Å; V157-T181 HydrophobicContact CG2-CG2 4.22Å; V157-T181 WeakPolarHBondContact CG2-OG1 3.38Å; V157-T181 PolarHBondContact N-OG1 2.75Å; V157-T181 PolarHBondContact O-N 2.72Å; L179-T181 VanDerWaalsContact CD1-O 3.28Å; L179-T181 WeakPolarHBondContact CD1-O 3.2Å; L179-T181 WeakPolarHBondContact CG-O 3.49Å
182D72.7Confident67.4Low48 Ų4878.8 Ų78.826%0.25739%0.392SS..  trans-62153.9-172.3-144.6-14.1000112.3K156 G184 Q187K156-D182 PolarHBondContact N-O 3.33Å; D182-G184 VanDerWaalsContact C-N 3.34Å; D182-G184 PolarHBondContact O-N 3.39Å; D182-G184 VanDerWaalsContact O-N 3.1Å; D182-Q187 PolarHBondContact OD2-NE2 2.92Å
183V54.7Low66.1Low48 Ų4876 Ų7629%0.29138%0.381SS..  trans-76.496.8165.5-1710000104.3K156 L179 D185K156-V183 HydrophobicContact CD-CG1 3.99Å; K156-V183 VanDerWaalsContact CE-CG1 3.42Å; K156-V183 HydrophobicContact CG-CB 4.37Å; K156-V183 HydrophobicContact CG-CG1 4.16Å; K156-V183 HydrophobicContact CG-CG2 4.26Å; L179-V183 HydrophobicContact CD2-CG2 4.14Å; V183-D185 PolarHBondContact O-N 2.97Å
184G42Very low65Low29 Ų2970.9 Ų70.930%0.29936%0.357SS..THydrogen-bonded Turntrans-28.5133.4-170.500000115.7D182D182-G184 VanDerWaalsContact C-N 3.34Å; D182-G184 PolarHBondContact O-N 3.39Å; D182-G184 VanDerWaalsContact O-N 3.1Å
185D38.7Very low64Low95 Ų9569.9 Ų69.951%0.50836%0.361SS..THydrogen-bonded Turntrans845.4172.7-47-25.4000117.3V183 N189V183-D185 PolarHBondContact O-N 2.97Å; D185-N189 WeakPolarHBondContact O-CA 3.48Å; D185-N189 WeakPolarHBondContact O-CB 3.25Å; D185-N189 PolarHBondContact O-N 3.05Å; D185-N189 PolarHBondContact O-ND2 3.39Å; D185-N189 VanDerWaalsContact O-ND2 3.09Å; D185-N189 PolarHBondContact O-OD1 3.44Å
186E41.8Very low63.1Low116 Ų11665.3 Ų65.354%0.54236%0.355SS..Hα-helixtrans-74.1-29.5176.2-75.6-175-17500115.3N189 T190E186-N189 PolarHBondContact O-N 2.93Å; E186-T190 PolarHBondContact O-N 3.19Å
187Q40.5Very low62.4Low129 Ų12962.7 Ų62.760%0.60334%0.343SS*.Hα-helixtrans-74.3-35.9174.5-78.3164.320.400112.4D182 N189 T190D182-Q187 PolarHBondContact OD2-NE2 2.92Å; Q187-N189 VanDerWaalsContact C-N 3.3Å; Q187-T190 PolarHBondContact O-N 2.85Å; Q187-T190 PolarHBondContact O-OG1 3.03Å
188D41.5Very low61.8Low103 Ų10358.3 Ų58.355%0.55132%0.321SS*.Hα-helixtrans-74.9-21169.4-116.512.1000112.2T190 E191 T192D188-T190 PolarHBondContact O-N 2.88Å; D188-E191 PolarHBondContact O-N 3.34Å; D188-T192 PolarHBondContact O-N 2.84Å; D188-T192 VanDerWaalsContact O-N 3.14Å; D188-T192 PolarHBondContact O-OG1 3.39Å; D188-T192 VanDerWaalsContact O-OG1 3.12Å
189N43.2Very low61.2Low61 Ų6158.8 Ų58.833%0.32633%0.331SS..Hα-helixtrans-67.7-24.2172.5-72.6-17.2000111.9D185 E186 Q187 T192 D193D185-N189 WeakPolarHBondContact O-CA 3.48Å; D185-N189 WeakPolarHBondContact O-CB 3.25Å; D185-N189 PolarHBondContact O-N 3.05Å; D185-N189 PolarHBondContact O-ND2 3.39Å; D185-N189 VanDerWaalsContact O-ND2 3.09Å; D185-N189 PolarHBondContact O-OD1 3.44Å; E186-N189 PolarHBondContact O-N 2.93Å; Q187-N189 VanDerWaalsContact C-N 3.3Å; N189-T192 VanDerWaalsContact CA-OG1 3.28Å; N189-T192 WeakPolarHBondContact CA-OG1 3.45Å; N189-T192 PolarHBondContact O-N 2.85Å; N189-D193 WeakPolarHBondContact O-CA 3.35Å; N189-D193 WeakPolarHBondContact O-CB 2.98Å; N189-D193 PolarHBondContact O-N 3.44Å
190T47.5Very low60.7Low67 Ų6757.8 Ų57.841%0.41133%0.326SS..Hα-helixtrans-65.5-41.8174.761.80000111.2E186 Q187 D188 H194E186-T190 PolarHBondContact O-N 3.19Å; Q187-T190 PolarHBondContact O-N 2.85Å; Q187-T190 PolarHBondContact O-OG1 3.03Å; D188-T190 PolarHBondContact O-N 2.88Å; T190-H194 WeakPolarHBondContact O-CB 2.98Å; T190-H194 PolarHBondContact O-CD2 3.15Å; T190-H194 PolarHBondContact O-N 3.24Å
191E49.6Very low60.2Low95 Ų9558.9 Ų58.944%0.44433%0.332SS..Hα-helixtrans-63.9-51174.4-62.2-162.716800111.1D188 D193 H194 D195 Y292D188-E191 PolarHBondContact O-N 3.34Å; E191-D193 PolarHBondContact O-N 2.93Å; E191-H194 PolarHBondContact O-N 2.77Å; E191-D195 WeakPolarHBondContact O-CB 3.45Å; E191-D195 PolarHBondContact O-N 2.98Å; E191-Y292 HydrophobicContact CG-CE2 4.46Å; E191-Y292 WeakPolarHBondContact CG-OH 3.24Å; E191-Y292 PolarHBondContact OE1-OH 3.42Å
192T52.3Low59.9Low79 Ų7963.7 Ų63.749%0.48536%0.358SS..Hα-helixtrans-69.7-32.1-178.249.40000113.4D188 N189 D195 A196D188-T192 PolarHBondContact O-N 2.84Å; D188-T192 VanDerWaalsContact O-N 3.14Å; D188-T192 PolarHBondContact O-OG1 3.39Å; D188-T192 VanDerWaalsContact O-OG1 3.12Å; N189-T192 VanDerWaalsContact CA-OG1 3.28Å; N189-T192 WeakPolarHBondContact CA-OG1 3.45Å; N189-T192 PolarHBondContact O-N 2.85Å; T192-D195 CarbonylContact O-C 3.59Å; T192-A196 WeakPolarHBondContact O-CB 3.5Å; T192-A196 PolarHBondContact O-N 3.4Å
193D60.9Low59.8Low49 Ų4965.5 Ų65.526%0.26237%0.374SS..Hα-helixtrans-73.6-37.7172.9-77.1-6.9000111N189 E191 D195 A196 I197 Y311N189-D193 WeakPolarHBondContact O-CA 3.35Å; N189-D193 WeakPolarHBondContact O-CB 2.98Å; N189-D193 PolarHBondContact O-N 3.44Å; E191-D193 PolarHBondContact O-N 2.93Å; D193-D195 VanDerWaalsContact C-N 3.27Å; D193-D195 PolarHBondContact O-N 3.3Å; D193-A196 CarbonylContact O-C 3.49Å; D193-A196 WeakPolarHBondContact O-CA 3.39Å; D193-A196 WeakPolarHBondContact O-CB 3.38Å; D193-A196 PolarHBondContact O-N 3.48Å; D193-A196 VanDerWaalsContact O-N 3.14Å; D193-I197 VanDerWaalsContact O-CG1 3.25Å; D193-I197 WeakPolarHBondContact O-CG1 3.41Å; D193-I197 PolarHBondContact O-N 2.69Å; D193-Y311 HydrophobicContact CB-CE1 3.83Å; D193-Y311 WeakPolarHBondContact OD2-CE1 3.32Å; D193-Y311 PolarHBondContact OD2-OH 2.98Å
194H64.8Low60.1Low15 Ų1566.4 Ų66.47%0.06939%0.386CS..Hα-helixtrans-67.2-31.8174.6-73.6-36000112T190 E191 S198 Y292 R308 T312T190-H194 WeakPolarHBondContact O-CB 2.98Å; T190-H194 PolarHBondContact O-CD2 3.15Å; T190-H194 PolarHBondContact O-N 3.24Å; E191-H194 PolarHBondContact O-N 2.77Å; H194-S198 PolarHBondContact O-N 3.14Å; H194-S198 PolarHBondContact O-OG 3.5Å; H194-Y292 AromaticContact CD2-CD2 3.91Å; H194-R308 PolarHBondContact O-NE 2.93Å; H194-R308 PolarHBondContact O-NH2 3.35Å; H194-R308 VanDerWaalsContact O-NH2 3.14Å; H194-T312 PolarHBondContact CE1-OG1 3.25Å
195D68.8Low61.8Low106 Ų10668.9 Ų68.957%0.56739%0.392SS*.Hα-helixtrans-74-32.8167.9-80.7-11.2000112.5E191 T192 D193 S198 A199E191-D195 WeakPolarHBondContact O-CB 3.45Å; E191-D195 PolarHBondContact O-N 2.98Å; T192-D195 CarbonylContact O-C 3.59Å; D193-D195 VanDerWaalsContact C-N 3.27Å; D193-D195 PolarHBondContact O-N 3.3Å; D195-S198 WeakPolarHBondContact O-CB 3.48Å; D195-S198 PolarHBondContact O-N 2.91Å; D195-A199 WeakPolarHBondContact O-CB 3.42Å; D195-A199 PolarHBondContact O-N 2.8Å
196A71.5Confident63.7Low50 Ų5069 Ų6941%0.41340%0.398SS..Hα-helixtrans-67.3-38.5170.900000111.3T192 D193 S198 A199 L200T192-A196 WeakPolarHBondContact O-CB 3.5Å; T192-A196 PolarHBondContact O-N 3.4Å; D193-A196 CarbonylContact O-C 3.49Å; D193-A196 WeakPolarHBondContact O-CA 3.39Å; D193-A196 WeakPolarHBondContact O-CB 3.38Å; D193-A196 PolarHBondContact O-N 3.48Å; D193-A196 VanDerWaalsContact O-N 3.14Å; A196-S198 VanDerWaalsContact C-N 3.35Å; A196-A199 CarbonylContact O-C 3.51Å; A196-A199 PolarHBondContact O-N 3.12Å; A196-L200 WeakPolarHBondContact O-CB 3.31Å; A196-L200 PolarHBondContact O-N 2.9Å
197I73.3Confident65.7Low6 Ų671.4 Ų71.43%0.03141%0.409CS..Hα-helixtrans-65.1-41.8172.6-67.4164.5000109.5D193 L200 V201 F212 L307 R308 Y311D193-I197 VanDerWaalsContact O-CG1 3.25Å; D193-I197 WeakPolarHBondContact O-CG1 3.41Å; D193-I197 PolarHBondContact O-N 2.69Å; I197-L200 PolarHBondContact O-N 2.78Å; I197-V201 HydrophobicContact CG2-CG2 4.45Å; I197-V201 WeakPolarHBondContact O-CG2 3.21Å; I197-V201 PolarHBondContact O-N 3.45Å; I197-F212 HydrophobicContact CD1-CZ 4.15Å; I197-F212 HydrophobicContact CG1-CE1 4.14Å; I197-F212 HydrophobicContact CG1-CZ 3.98Å; I197-L307 HydrophobicContact CG2-CB 4.39Å; I197-R308 HydrophobicContact CB-CG 4.47Å; I197-R308 HydrophobicContact CD1-CG 4.28Å; I197-R308 HydrophobicContact CG2-CG 4.02Å; I197-Y311 HydrophobicContact CD1-CD1 3.55Å; I197-Y311 HydrophobicContact CD1-CE1 4.24Å; I197-Y311 HydrophobicContact CD1-CG 3.75Å
198S76Confident67.7Low12 Ų1270.4 Ų70.48%0.08440%0.404CS..Hα-helixtrans-52.2-57.8169.8-60.20000110.7H194 D195 A196 L200 V201 D202 K304 R308H194-S198 PolarHBondContact O-N 3.14Å; H194-S198 PolarHBondContact O-OG 3.5Å; D195-S198 WeakPolarHBondContact O-CB 3.48Å; D195-S198 PolarHBondContact O-N 2.91Å; A196-S198 VanDerWaalsContact C-N 3.35Å; S198-L200 VanDerWaalsContact C-N 3.26Å; S198-L200 PolarHBondContact O-N 2.93Å; S198-V201 PolarHBondContact O-N 3.35Å; S198-D202 WeakPolarHBondContact O-CB 3.49Å; S198-D202 PolarHBondContact O-N 2.99Å; S198-K304 WeakPolarHBondContact OG-CE 3.47Å; S198-K304 PolarHBondContact OG-NZ 2.99Å; S198-R308 PolarHBondContact OG-NH2 3.48Å
199A78.2Confident69.8Low45 Ų4566.8 Ų66.837%0.37239%0.385SS..Hα-helixtrans-61.5-35.6-177.900000111.6D195 A196 D202 C203D195-A199 WeakPolarHBondContact O-CB 3.42Å; D195-A199 PolarHBondContact O-N 2.8Å; A196-A199 CarbonylContact O-C 3.51Å; A196-A199 PolarHBondContact O-N 3.12Å; A199-D202 PolarHBondContact O-N 2.87Å; A199-C203 WeakPolarHBondContact O-CA 3.39Å; A199-C203 WeakPolarHBondContact O-CB 3.33Å; A199-C203 PolarHBondContact O-N 2.79Å; A199-C203 PolarHBondContact O-SG 2.88Å
200L79.4Confident72Confident43 Ų4366.5 Ų66.523%0.22539%0.391CS..Hα-helixtrans-71.3-36.8-179.6-173150.7000112A196 I197 S198 L209 F212A196-L200 WeakPolarHBondContact O-CB 3.31Å; A196-L200 PolarHBondContact O-N 2.9Å; I197-L200 PolarHBondContact O-N 2.78Å; S198-L200 VanDerWaalsContact C-N 3.26Å; S198-L200 PolarHBondContact O-N 2.93Å; L200-L209 HydrophobicContact CD2-CB 3.85Å; L200-L209 HydrophobicContact CD2-CD1 3.49Å; L200-L209 VanDerWaalsContact CD2-CD1 3.49Å; L200-L209 HydrophobicContact CD2-CG 4.26Å; L200-F212 HydrophobicContact CD2-CB 4.27Å; L200-F212 HydrophobicContact CD2-CD1 4.23Å; L200-F212 HydrophobicContact CD2-CG 4.48Å
201V79.4Confident73.9Confident34 Ų3466.8 Ų66.821%0.20640%0.396CS..Hα-helixtrans-71-42.6170.9176.60000110.8I197 S198 L209 L307I197-V201 HydrophobicContact CG2-CG2 4.45Å; I197-V201 WeakPolarHBondContact O-CG2 3.21Å; I197-V201 PolarHBondContact O-N 3.45Å; S198-V201 PolarHBondContact O-N 3.35Å; V201-L209 HydrophobicContact CG2-CD1 4.05Å; V201-L307 HydrophobicContact CG2-CD1 4.16Å
202D80.4Confident75.8Confident107 Ų10764 Ų6457%0.57238%0.382SS*.Hα-helixtrans-80.2-34.8-172.4-64-31.1000113.2S198 A199 A204 K304S198-D202 WeakPolarHBondContact O-CB 3.49Å; S198-D202 PolarHBondContact O-N 2.99Å; A199-D202 PolarHBondContact O-N 2.87Å; D202-A204 PolarHBondContact O-N 2.86Å; D202-K304 IonicContact OD2-NZ 3.87Å; D202-K304 PolarHBondContact OD2-NZ 3.42Å
203C71.7Confident77.8Confident87 Ų8762.3 Ų62.359%0.58837%0.369SS*.THydrogen-bonded Turntrans-78-4.8-179.8-660000112.9A199 I205A199-C203 WeakPolarHBondContact O-CA 3.39Å; A199-C203 WeakPolarHBondContact O-CB 3.33Å; A199-C203 PolarHBondContact O-N 2.79Å; A199-C203 PolarHBondContact O-SG 2.88Å; C203-I205 PolarHBondContact O-N 2.94Å
204A61.6Low79.4Confident67 Ų6765 Ų6555%0.55438%0.38SS*.  trans47.839.7168.900000114.6D202 P206D202-A204 PolarHBondContact O-N 2.86Å; A204-P206 WeakPolarHBondContact O-CD 3.45Å; A204-P206 WeakPolarHBondContact O-CG 3.15Å
205I77.4Confident80.7Confident81 Ų8167 Ų6742%0.41539%0.393SS..  trans-79.795.9164.9-57.4174.8000106.2C203 E207 Q208 L209C203-I205 PolarHBondContact O-N 2.94Å; I205-E207 PolarHBondContact O-N 2.98Å; I205-E207 VanDerWaalsContact O-N 3.16Å; I205-Q208 HydrophobicContact CB-CB 4.28Å; I205-Q208 HydrophobicContact CB-CG 4.37Å; I205-Q208 HydrophobicContact CG2-CB 4.1Å; I205-Q208 HydrophobicContact CG2-CG 3.79Å; I205-Q208 PolarHBondContact O-N 3.33Å; I205-Q208 VanDerWaalsContact O-N 3.12Å; I205-L209 PolarHBondContact O-N 3.07Å; I205-L209 VanDerWaalsContact O-N 3.16Å
206P78.4Confident81.9Confident98 Ų9862 Ų6264%0.63637%0.366SS*.Hα-helixtrans-67.3-29.5-161.2-20.236.1000111.9A204 A210A204-P206 WeakPolarHBondContact O-CD 3.45Å; A204-P206 WeakPolarHBondContact O-CG 3.15Å; P206-A210 WeakPolarHBondContact O-CB 3.42Å; P206-A210 PolarHBondContact O-N 3.33Å
207E83.6Confident83.1Confident165 Ų16561.5 Ų61.577%0.77136%0.355SS*.Hα-helixtrans-67.7-40.8177.4-65-178179.400112.6I205 S211I205-E207 PolarHBondContact O-N 2.98Å; I205-E207 VanDerWaalsContact O-N 3.16Å; E207-S211 VanDerWaalsContact O-CB 3.3Å; E207-S211 WeakPolarHBondContact O-CB 3.46Å; E207-S211 PolarHBondContact O-N 3.41Å
208Q81.3Confident84.2Confident109 Ų10965 Ų6551%0.50938%0.377SS..Hα-helixtrans-69.3-43.3177.9-72-177.1-7.800110.8I205 S211 F212I205-Q208 HydrophobicContact CB-CB 4.28Å; I205-Q208 HydrophobicContact CB-CG 4.37Å; I205-Q208 HydrophobicContact CG2-CB 4.1Å; I205-Q208 HydrophobicContact CG2-CG 3.79Å; I205-Q208 PolarHBondContact O-N 3.33Å; I205-Q208 VanDerWaalsContact O-N 3.12Å; Q208-S211 PolarHBondContact O-N 2.98Å; Q208-F212 WeakPolarHBondContact O-CB 3.24Å; Q208-F212 PolarHBondContact O-N 3.41Å
209L86.2Confident85.1Confident26 Ų2664.8 Ų64.814%0.13637%0.374CS..Hα-helixtrans-61.9-45.4174.1-179.661.3000111.9L200 V201 I205 S211 F212 Q213 L303 L307L200-L209 HydrophobicContact CD2-CB 3.85Å; L200-L209 HydrophobicContact CD2-CD1 3.49Å; L200-L209 VanDerWaalsContact CD2-CD1 3.49Å; L200-L209 HydrophobicContact CD2-CG 4.26Å; V201-L209 HydrophobicContact CG2-CD1 4.05Å; I205-L209 PolarHBondContact O-N 3.07Å; I205-L209 VanDerWaalsContact O-N 3.16Å; L209-S211 PolarHBondContact O-N 3.1Å; L209-F212 PolarHBondContact O-N 3.06Å; L209-Q213 HydrophobicContact CD1-CG 4.22Å; L209-Q213 WeakPolarHBondContact O-CB 3.2Å; L209-Q213 VanDerWaalsContact O-CG 3.31Å; L209-Q213 WeakPolarHBondContact O-CG 3.49Å; L209-Q213 PolarHBondContact O-N 3.45Å; L209-L303 HydrophobicContact CD2-CD2 4.4Å; L209-L307 HydrophobicContact CD1-CD1 3.86Å
210A88.9Confident86Confident55 Ų5562.6 Ų62.646%0.45536%0.357SS..Hα-helixtrans-62.2-43.2177.300000111.9P206 Q213 Q214P206-A210 WeakPolarHBondContact O-CB 3.42Å; P206-A210 PolarHBondContact O-N 3.33Å; A210-Q213 PolarHBondContact O-N 3.42Å; A210-Q214 VanDerWaalsContact O-CB 3.28Å; A210-Q214 WeakPolarHBondContact O-CB 3.33Å; A210-Q214 PolarHBondContact O-N 3.4Å
211S88.4Confident86.8Confident74 Ų7461.1 Ų61.152%0.51735%0.349SS..Hα-helixtrans-61.3-45.7175.7-175.70000111.6E207 Q208 L209 Q214 T215E207-S211 VanDerWaalsContact O-CB 3.3Å; E207-S211 WeakPolarHBondContact O-CB 3.46Å; E207-S211 PolarHBondContact O-N 3.41Å; Q208-S211 PolarHBondContact O-N 2.98Å; L209-S211 PolarHBondContact O-N 3.1Å; S211-Q214 WeakPolarHBondContact O-CB 3.28Å; S211-Q214 PolarHBondContact O-N 2.95Å; S211-Q214 VanDerWaalsContact O-N 3.17Å; S211-T215 PolarHBondContact O-N 2.86Å; S211-T215 PolarHBondContact O-OG1 3.31Å
212F89.7Confident87.6Confident36 Ų3664.8 Ų64.816%0.15836%0.359CS..Hα-helixtrans-62.5-47.6177.8-175.9-114.5000112.2I197 L200 Q208 L209 Q214 T215 L216 L307 Y311I197-F212 HydrophobicContact CD1-CZ 4.15Å; I197-F212 HydrophobicContact CG1-CE1 4.14Å; I197-F212 HydrophobicContact CG1-CZ 3.98Å; L200-F212 HydrophobicContact CD2-CB 4.27Å; L200-F212 HydrophobicContact CD2-CD1 4.23Å; L200-F212 HydrophobicContact CD2-CG 4.48Å; Q208-F212 WeakPolarHBondContact O-CB 3.24Å; Q208-F212 PolarHBondContact O-N 3.41Å; L209-F212 PolarHBondContact O-N 3.06Å; F212-Q214 VanDerWaalsContact C-N 3.25Å; F212-Q214 PolarHBondContact O-N 3.3Å; F212-T215 PolarHBondContact O-N 3.18Å; F212-L216 HydrophobicContact CD1-CD1 4.24Å; F212-L216 HydrophobicContact CE1-CD1 3.69Å; F212-L216 HydrophobicContact CE2-CD1 4.44Å; F212-L216 HydrophobicContact CZ-CD1 3.81Å; F212-L216 HydrophobicContact CZ-CG 4.43Å; F212-L216 PolarHBondContact O-N 3.47Å; F212-L216 VanDerWaalsContact O-N 3.1Å; F212-L307 HydrophobicContact CD1-CD1 4.37Å; F212-L307 HydrophobicContact CE1-CB 4.28Å; F212-L307 HydrophobicContact CE1-CD1 4.47Å; F212-Y311 AromaticContact CE2-CD2 3.66Å; F212-Y311 HydrophobicContact CE2-CD2 3.66Å; F212-Y311 AromaticContact CE2-CE2 3.97Å; F212-Y311 HydrophobicContact CE2-CE2 3.97Å; F212-Y311 HydrophobicContact CE2-CG 4.49Å; F212-Y311 AromaticContact CZ-CD2 3.59Å; F212-Y311 HydrophobicContact CZ-CD2 3.59Å; F212-Y311 HydrophobicContact CZ-CE2 4.25Å; F212-Y311 AromaticContact CZ-CG 3.98Å; F212-Y311 HydrophobicContact CZ-CG 3.98Å
213Q93.1Very high88.3Confident44 Ų4460 Ų6021%0.20633%0.334CS..Hα-helixtrans-58.5-39173.2-72.3-173.431.300111.7L209 A210 L216 K217 L307L209-Q213 HydrophobicContact CD1-CG 4.22Å; L209-Q213 WeakPolarHBondContact O-CB 3.2Å; L209-Q213 VanDerWaalsContact O-CG 3.31Å; L209-Q213 WeakPolarHBondContact O-CG 3.49Å; L209-Q213 PolarHBondContact O-N 3.45Å; A210-Q213 PolarHBondContact O-N 3.42Å; Q213-L216 PolarHBondContact O-N 3Å; Q213-K217 WeakPolarHBondContact O-CB 3.35Å; Q213-K217 PolarHBondContact O-N 2.84Å; Q213-L307 HydrophobicContact CG-CD1 4.15Å; Q213-L307 HydrophobicContact CG-CD2 3.9Å
214Q94.4Very high89.5Confident104 Ų10455.9 Ų55.949%0.48631%0.306SS..Hα-helixtrans-67.1-37.8179.9-169.660.426.200112.1A210 S211 F212 T218A210-Q214 VanDerWaalsContact O-CB 3.28Å; A210-Q214 WeakPolarHBondContact O-CB 3.33Å; A210-Q214 PolarHBondContact O-N 3.4Å; S211-Q214 WeakPolarHBondContact O-CB 3.28Å; S211-Q214 PolarHBondContact O-N 2.95Å; S211-Q214 VanDerWaalsContact O-N 3.17Å; F212-Q214 VanDerWaalsContact C-N 3.25Å; F212-Q214 PolarHBondContact O-N 3.3Å; Q214-T218 WeakPolarHBondContact O-CB 3.25Å; Q214-T218 PolarHBondContact O-N 3.42Å; Q214-T218 PolarHBondContact O-OG1 3.17Å
215T92.9Very high91.1Very high59 Ų5956.6 Ų56.636%0.36230%0.3SS..Hα-helixtrans-60.9-51.6172.9-61.90000110.9S211 F212 K217 T218 F219 Y314S211-T215 PolarHBondContact O-N 2.86Å; S211-T215 PolarHBondContact O-OG1 3.31Å; F212-T215 PolarHBondContact O-N 3.18Å; T215-K217 PolarHBondContact O-N 3.35Å; T215-T218 WeakPolarHBondContact O-CB 3.35Å; T215-T218 PolarHBondContact O-N 2.85Å; T215-F219 PolarHBondContact O-N 3.01Å; T215-Y314 HydrophobicContact CG2-CE2 4.08Å
216L94.8Very high91.9Very high0 Ų059 Ų590%031%0.307CS..Hα-helixtrans-64-40.3179-65.7-179000112F212 Q213 T218 F219 V220 L234 L307 L310 Y311 Y314F212-L216 HydrophobicContact CD1-CD1 4.24Å; F212-L216 HydrophobicContact CE1-CD1 3.69Å; F212-L216 HydrophobicContact CE2-CD1 4.44Å; F212-L216 HydrophobicContact CZ-CD1 3.81Å; F212-L216 HydrophobicContact CZ-CG 4.43Å; F212-L216 PolarHBondContact O-N 3.47Å; F212-L216 VanDerWaalsContact O-N 3.1Å; Q213-L216 PolarHBondContact O-N 3Å; L216-T218 VanDerWaalsContact C-N 3.31Å; L216-T218 PolarHBondContact O-N 3.47Å; L216-F219 WeakPolarHBondContact O-CB 3.38Å; L216-F219 PolarHBondContact O-N 3.15Å; L216-V220 VanDerWaalsContact O-CG2 3.29Å; L216-V220 WeakPolarHBondContact O-CG2 3.38Å; L216-V220 PolarHBondContact O-N 3.33Å; L216-L234 HydrophobicContact CB-CD1 4.2Å; L216-L307 HydrophobicContact CD1-CB 4.38Å; L216-L307 HydrophobicContact CD1-CD2 3.78Å; L216-L310 HydrophobicContact CD1-CB 4.05Å; L216-Y311 HydrophobicContact CD2-CD2 4.41Å; L216-Y314 HydrophobicContact CD2-CD1 4.44Å; L216-Y314 HydrophobicContact CD2-CD2 4.34Å; L216-Y314 HydrophobicContact CD2-CG 3.87Å
217K95.9Very high92.6Very high39 Ų3958.1 Ų58.117%0.1730%0.297CS..Hα-helixtrans-62.1-39.1175.3-170.9179.9-55.5-178.40112.1Q213 T215 N221 T232 L234Q213-K217 WeakPolarHBondContact O-CB 3.35Å; Q213-K217 PolarHBondContact O-N 2.84Å; T215-K217 PolarHBondContact O-N 3.35Å; K217-N221 VanDerWaalsContact O-CB 3.27Å; K217-N221 WeakPolarHBondContact O-CB 3.31Å; K217-N221 PolarHBondContact O-N 2.92Å; K217-N221 PolarHBondContact O-ND2 3.37Å; K217-N221 VanDerWaalsContact O-ND2 3.17Å; K217-T232 WeakPolarHBondContact CE-O 3.33Å; K217-T232 PolarHBondContact NZ-O 3.33Å; K217-L234 HydrophobicContact CB-CD1 4.15Å; K217-L234 HydrophobicContact CB-CD2 4.31Å; K217-L234 HydrophobicContact CB-CG 4.3Å; K217-L234 HydrophobicContact CG-CD2 4.45Å
218T95.6Very high93.2Very high81 Ų8157.7 Ų57.750%0.49730%0.3SS..Hα-helixtrans-64.7-43.9175.5-580000110.8Q214 T215 L216 R222Q214-T218 WeakPolarHBondContact O-CB 3.25Å; Q214-T218 PolarHBondContact O-N 3.42Å; Q214-T218 PolarHBondContact O-OG1 3.17Å; T215-T218 WeakPolarHBondContact O-CB 3.35Å; T215-T218 PolarHBondContact O-N 2.85Å; L216-T218 VanDerWaalsContact C-N 3.31Å; L216-T218 PolarHBondContact O-N 3.47Å; T218-R222 VanDerWaalsContact O-CB 3.27Å; T218-R222 WeakPolarHBondContact O-CB 3.48Å; T218-R222 PolarHBondContact O-N 3.18Å
219F95.7Very high93.9Very high6 Ų654.6 Ų54.63%0.02629%0.287CS..Hα-helixtrans-60.9-48.7174.9165.3-103.6000112.8T215 L216 N221 R222 N223 L251 L313 Y314T215-F219 PolarHBondContact O-N 3.01Å; L216-F219 WeakPolarHBondContact O-CB 3.38Å; L216-F219 PolarHBondContact O-N 3.15Å; F219-N221 PolarHBondContact O-N 2.97Å; F219-R222 PolarHBondContact O-N 3.33Å; F219-N223 PolarHBondContact O-N 2.92Å; F219-N223 PolarHBondContact O-ND2 3.04Å; F219-L251 HydrophobicContact CE1-CD1 4.36Å; F219-L251 HydrophobicContact CE2-CD2 4.05Å; F219-L251 HydrophobicContact CZ-CD1 3.85Å; F219-L251 HydrophobicContact CZ-CD2 3.77Å; F219-L251 HydrophobicContact CZ-CG 4.47Å; F219-L313 HydrophobicContact CE1-CB 4.1Å; F219-L313 HydrophobicContact CZ-CB 4.39Å; F219-Y314 HydrophobicContact CB-CD2 3.76Å; F219-Y314 HydrophobicContact CB-CE2 4.31Å; F219-Y314 HydrophobicContact CD1-CD2 4.28Å; F219-Y314 AromaticContact CD2-CD2 3.9Å; F219-Y314 HydrophobicContact CD2-CD2 3.9Å; F219-Y314 AromaticContact CG-CD2 3.72Å; F219-Y314 HydrophobicContact CG-CD2 3.72Å
220V96.9Very high94.4Very high0 Ų058.2 Ų58.20%030%0.303CS..Hα-helixtrans-58.2-51.2177.5169.50000110.2L216 R222 N223 L224 V231 L234 M238 L247 L310L216-V220 VanDerWaalsContact O-CG2 3.29Å; L216-V220 WeakPolarHBondContact O-CG2 3.38Å; L216-V220 PolarHBondContact O-N 3.33Å; V220-R222 PolarHBondContact O-N 3.09Å; V220-N223 PolarHBondContact O-N 3.45Å; V220-L224 HydrophobicContact CG1-CD1 3.5Å; V220-L224 VanDerWaalsContact CG1-CD1 3.5Å; V220-L224 HydrophobicContact CG1-CG 4.13Å; V220-L224 WeakPolarHBondContact O-CB 3.42Å; V220-L224 PolarHBondContact O-N 3.48Å; V220-V231 HydrophobicContact CG1-CB 4.27Å; V220-V231 HydrophobicContact CG1-CG2 3.91Å; V220-L234 HydrophobicContact CG2-CD2 4.25Å; V220-M238 HydrophobicContact CG1-SD 4.28Å; V220-L247 HydrophobicContact CG2-CD2 4.07Å; V220-L310 HydrophobicContact CG2-CD1 4.21Å; V220-L310 HydrophobicContact CG2-CD2 3.4Å; V220-L310 VanDerWaalsContact CG2-CD2 3.4Å; V220-L310 HydrophobicContact CG2-CG 4.4Å
221N97.4Very high94.8Very high12 Ų1255.6 Ų55.66%0.06428%0.281CS..Hα-helixtrans-67.5-35.4-178.5-77.1-38.2000113.3K217 F219 N223 N225 H230 V231K217-N221 VanDerWaalsContact O-CB 3.27Å; K217-N221 WeakPolarHBondContact O-CB 3.31Å; K217-N221 PolarHBondContact O-N 2.92Å; K217-N221 PolarHBondContact O-ND2 3.37Å; K217-N221 VanDerWaalsContact O-ND2 3.17Å; F219-N221 PolarHBondContact O-N 2.97Å; N221-N223 PolarHBondContact O-N 2.99Å; N221-N225 WeakPolarHBondContact O-CB 3.35Å; N221-N225 PolarHBondContact O-N 3.39Å; N221-N225 PolarHBondContact O-ND2 3.37Å; N221-H230 VanDerWaalsContact CG-CE1 3.47Å; N221-H230 VanDerWaalsContact CG-ND1 3.35Å; N221-H230 PolarHBondContact ND2-CE1 2.93Å; N221-H230 WeakPolarHBondContact OD1-CA 3.45Å; N221-H230 PolarHBondContact OD1-ND1 3.46Å; N221-V231 PolarHBondContact ND2-O 3.23Å; N221-V231 PolarHBondContact OD1-N 2.74Å
222R95.4Very high95.1Very high110 Ų11056.2 Ų56.242%0.41528%0.282SS..Hα-helixtrans-55-38.8173.4179.7177.669153.4-3111.3T218 F219 V220 G318 I320T218-R222 VanDerWaalsContact O-CB 3.27Å; T218-R222 WeakPolarHBondContact O-CB 3.48Å; T218-R222 PolarHBondContact O-N 3.18Å; F219-R222 PolarHBondContact O-N 3.33Å; V220-R222 PolarHBondContact O-N 3.09Å; R222-G318 PolarHBondContact NH2-O 3.2Å; R222-I320 PolarHBondContact NH1-OXT 3.03Å; R222-I320 PolarHBondContact NH2-OXT 3.44Å
223N95.2Very high95.4Very high8 Ų857.2 Ų57.24%0.04329%0.289CS..Hα-helixtrans-82.9-52.8179.2-72.1-67.7000112F219 V220 N221 N225 K226 L247 L250F219-N223 PolarHBondContact O-N 2.92Å; F219-N223 PolarHBondContact O-ND2 3.04Å; V220-N223 PolarHBondContact O-N 3.45Å; N221-N223 PolarHBondContact O-N 2.99Å; N223-N225 VanDerWaalsContact C-N 3.28Å; N223-N225 PolarHBondContact O-N 3.01Å; N223-K226 VanDerWaalsContact O-CB 3.25Å; N223-K226 WeakPolarHBondContact O-CB 3.43Å; N223-K226 VanDerWaalsContact O-CG 3.26Å; N223-K226 WeakPolarHBondContact O-CG 3.36Å; N223-K226 PolarHBondContact O-N 3.01Å; N223-K226 VanDerWaalsContact O-N 3.09Å; N223-K226 PolarHBondContact OD1-NZ 3.5Å; N223-L247 HydrophobicContact CB-CD1 3.55Å; N223-L250 WeakPolarHBondContact O-CD1 3.22Å
224L96.5Very high95.5Very high0 Ų055.2 Ų55.20%028%0.28CS..Hα-helixtrans-64.6-26.6-177-71.4-176.8000114V220 K226 L227 L229 V231 Y243 L246 L247 L250V220-L224 HydrophobicContact CG1-CD1 3.5Å; V220-L224 VanDerWaalsContact CG1-CD1 3.5Å; V220-L224 HydrophobicContact CG1-CG 4.13Å; V220-L224 WeakPolarHBondContact O-CB 3.42Å; V220-L224 PolarHBondContact O-N 3.48Å; L224-K226 PolarHBondContact O-N 3.26Å; L224-K226 VanDerWaalsContact O-N 3.1Å; L224-L227 PolarHBondContact O-N 2.97Å; L224-L229 CarbonylContact C-O 3.23Å; L224-L229 VanDerWaalsContact C-O 3.23Å; L224-L229 HydrophobicContact CB-CB 4.05Å; L224-L229 PolarHBondContact O-N 3.14Å; L224-V231 HydrophobicContact CD1-CG2 3.62Å; L224-Y243 HydrophobicContact CD1-CD2 4.42Å; L224-Y243 HydrophobicContact CD1-CG 4.16Å; L224-L246 HydrophobicContact CD2-CB 4.14Å; L224-L247 HydrophobicContact CD2-CB 4.26Å; L224-L250 HydrophobicContact CD2-CD1 4.07Å
225N95.9Very high95.5Very high81 Ų8153.3 Ų53.343%0.43327%0.271SS..G310 helixtrans-60.1-21.3174-81-26.9000112.8N221 N223 L227 N228 L229N221-N225 WeakPolarHBondContact O-CB 3.35Å; N221-N225 PolarHBondContact O-N 3.39Å; N221-N225 PolarHBondContact O-ND2 3.37Å; N223-N225 VanDerWaalsContact C-N 3.28Å; N223-N225 PolarHBondContact O-N 3.01Å; N225-L227 PolarHBondContact O-N 3.23Å; N225-N228 PolarHBondContact O-N 3.43Å; N225-L229 PolarHBondContact N-O 3.29Å; N225-L229 PolarHBondContact OD1-O 2.84Å
226K93.7Very high95.6Very high131 Ų13154 Ų5457%0.5727%0.272SS*.G310 helixtrans-60.1-23.4171.8-63.3171.8-178.4167.40112.2N223 L224 L250N223-K226 VanDerWaalsContact O-CB 3.25Å; N223-K226 WeakPolarHBondContact O-CB 3.43Å; N223-K226 VanDerWaalsContact O-CG 3.26Å; N223-K226 WeakPolarHBondContact O-CG 3.36Å; N223-K226 PolarHBondContact O-N 3.01Å; N223-K226 VanDerWaalsContact O-N 3.09Å; N223-K226 PolarHBondContact OD1-NZ 3.5Å; L224-K226 PolarHBondContact O-N 3.26Å; L224-K226 VanDerWaalsContact O-N 3.1Å; K226-L250 HydrophobicContact CB-CD2 4.22Å; K226-L250 HydrophobicContact CD-CD2 4.27Å
227L93.7Very high95.7Very high81 Ų8156.5 Ų56.542%0.42428%0.284SS..G310 helixtrans-107.212.4175-58.8179.5000112.7L224 N225 L229 L246 L250L224-L227 PolarHBondContact O-N 2.97Å; N225-L227 PolarHBondContact O-N 3.23Å; L227-L229 HydrophobicContact CB-CD1 4.11Å; L227-L229 HydrophobicContact CB-CG 4.17Å; L227-L229 HydrophobicContact CD1-CD1 4.43Å; L227-L229 PolarHBondContact O-N 3.09Å; L227-L246 HydrophobicContact CD1-CB 4.38Å; L227-L246 HydrophobicContact CD1-CD2 4.17Å; L227-L250 HydrophobicContact CD1-CD1 3.82Å; L227-L250 HydrophobicContact CD1-CD2 4.28Å; L227-L250 HydrophobicContact CD1-CG 4.21Å; L227-L250 HydrophobicContact CD2-CD2 4.39Å; L227-L250 HydrophobicContact CG-CD1 4.02Å; L227-L250 HydrophobicContact CG-CD2 4.13Å; L227-L250 HydrophobicContact CG-CG 4.49Å
228N95.3Very high95.7Very high155 Ų15554.7 Ų54.783%0.82928%0.276SS*.THydrogen-bonded Turntrans56.930.2-171.7-52.8-64.9000113.8N225N225-N228 PolarHBondContact O-N 3.43Å
229L96.4Very high95.7Very high45 Ų4551 Ų5124%0.23625%0.254CS..  trans-101.8140.6174.8-64.8173.9000109.7L224 N225 L227 Y243 L246L224-L229 CarbonylContact C-O 3.23Å; L224-L229 VanDerWaalsContact C-O 3.23Å; L224-L229 HydrophobicContact CB-CB 4.05Å; L224-L229 PolarHBondContact O-N 3.14Å; N225-L229 PolarHBondContact N-O 3.29Å; N225-L229 PolarHBondContact OD1-O 2.84Å; L227-L229 HydrophobicContact CB-CD1 4.11Å; L227-L229 HydrophobicContact CB-CG 4.17Å; L227-L229 HydrophobicContact CD1-CD1 4.43Å; L227-L229 PolarHBondContact O-N 3.09Å; L229-Y243 HydrophobicContact CD1-CD1 4.32Å; L229-Y243 HydrophobicContact CD1-CE1 4.02Å; L229-Y243 HydrophobicContact CD2-CE1 4.17Å; L229-Y243 HydrophobicContact CG-CE1 4.47Å; L229-L246 HydrophobicContact CD1-CD1 3.45Å; L229-L246 VanDerWaalsContact CD1-CD1 3.45Å
230H96.2Very high95.8Very high102 Ų10252.6 Ų52.647%0.47226%0.263SS..  trans-137.3133.3-178.8-169.272.9000110.2N221N221-H230 VanDerWaalsContact CG-CE1 3.47Å; N221-H230 VanDerWaalsContact CG-ND1 3.35Å; N221-H230 PolarHBondContact ND2-CE1 2.93Å; N221-H230 WeakPolarHBondContact OD1-CA 3.45Å; N221-H230 PolarHBondContact OD1-ND1 3.46Å
231V97Very high95.8Very high0 Ų052.6 Ų52.60%026%0.263CS..  trans-107.8121.6-180-178.50000109.9V220 N221 L224 L234 E237 M238 Y243V220-V231 HydrophobicContact CG1-CB 4.27Å; V220-V231 HydrophobicContact CG1-CG2 3.91Å; N221-V231 PolarHBondContact ND2-O 3.23Å; N221-V231 PolarHBondContact OD1-N 2.74Å; L224-V231 HydrophobicContact CD1-CG2 3.62Å; V231-L234 HydrophobicContact CG1-CD2 3.88Å; V231-E237 WeakPolarHBondContact CA-OE2 3.44Å; V231-E237 HydrophobicContact CG1-CB 4.15Å; V231-M238 HydrophobicContact CG1-CG 4.48Å; V231-M238 HydrophobicContact CG1-SD 4.41Å; V231-M238 HydrophobicContact CG2-SD 4.1Å; V231-Y243 HydrophobicContact CG2-CD2 3.42Å; V231-Y243 VanDerWaalsContact CG2-CD2 3.42Å; V231-Y243 HydrophobicContact CG2-CE2 3.58Å; V231-Y243 HydrophobicContact CG2-CG 4.35Å
232T95.9Very high95.8Very high87 Ų8752.6 Ų52.653%0.53426%0.263SS..SBendtrans-98.6-35.3175.8660000112.2K217 E237K217-T232 WeakPolarHBondContact CE-O 3.33Å; K217-T232 PolarHBondContact NZ-O 3.33Å; T232-E237 WeakPolarHBondContact CA-OE1 3.38Å; T232-E237 WeakPolarHBondContact CB-OE1 3.36Å; T232-E237 PolarHBondContact N-OE1 3.22Å; T232-E237 PolarHBondContact N-OE2 3.11Å; T232-E237 PolarHBondContact OG1-OE1 3Å
233D96Very high95.9Very high57 Ų5749.7 Ų49.731%0.30525%0.252SS..  trans-123.9109.9178.7-173-21.1000110.5E235 N236 E237D233-E235 VanDerWaalsContact C-N 3.34Å; D233-E235 PolarHBondContact O-N 2.8Å; D233-E235 PolarHBondContact OD1-N 3.28Å; D233-N236 HydrophobicContact CB-CB 4.38Å; D233-N236 PolarHBondContact OD1-N 3.1Å; D233-N236 PolarHBondContact OD2-ND2 2.95Å; D233-E237 HydrophobicContact CB-CG 4.37Å; D233-E237 PolarHBondContact N-OE1 3.12Å; D233-E237 VanDerWaalsContact O-CB 3.24Å; D233-E237 WeakPolarHBondContact O-CB 3.34Å; D233-E237 WeakPolarHBondContact O-CG 3.46Å; D233-E237 PolarHBondContact O-N 3.39Å
234L95.8Very high96Very high1 Ų149.3 Ų49.31%0.00525%0.25CS..Hα-helixtrans-65.2-37.7-178.3-66.8177.2000111.9L216 K217 V220 V231 M238 T306 L307 L310L216-L234 HydrophobicContact CB-CD1 4.2Å; K217-L234 HydrophobicContact CB-CD1 4.15Å; K217-L234 HydrophobicContact CB-CD2 4.31Å; K217-L234 HydrophobicContact CB-CG 4.3Å; K217-L234 HydrophobicContact CG-CD2 4.45Å; V220-L234 HydrophobicContact CG2-CD2 4.25Å; V231-L234 HydrophobicContact CG1-CD2 3.88Å; L234-M238 HydrophobicContact CD2-CG 4.43Å; L234-M238 WeakPolarHBondContact O-CB 3.44Å; L234-M238 WeakPolarHBondContact O-CG 3.47Å; L234-M238 PolarHBondContact O-N 3.32Å; L234-T306 WeakPolarHBondContact O-CG2 3.4Å; L234-L307 HydrophobicContact CD1-CD2 4.09Å; L234-L310 HydrophobicContact CB-CD1 4.29Å; L234-L310 HydrophobicContact CD1-CD1 3.92Å; L234-L310 HydrophobicContact CD2-CD1 3.75Å; L234-L310 HydrophobicContact CG-CD1 4.21Å
235E93Very high96Very high64 Ų6449.3 Ų49.330%0.29925%0.25SS..Hα-helixtrans-71.8-42-174.1-176.4-175.4161.200111.3D233 H301 L303D233-E235 VanDerWaalsContact C-N 3.34Å; D233-E235 PolarHBondContact O-N 2.8Å; D233-E235 PolarHBondContact OD1-N 3.28Å; E235-H301 HydrophobicContact CG-CB 3.96Å; E235-H301 WeakPolarHBondContact CG-O 3.46Å; E235-H301 PolarHBondContact O-ND1 3.34Å; E235-H301 VanDerWaalsContact O-ND1 3.15Å; E235-L303 HydrophobicContact CB-CD1 4.13Å; E235-L303 HydrophobicContact CG-CB 4.33Å
236N95.4Very high96.1Very high75 Ų7547.1 Ų47.140%0.40124%0.238SC..Hα-helixtrans-87.7-46.3-175.2-71.3-59.8000112.6D233 S239 H301D233-N236 HydrophobicContact CB-CB 4.38Å; D233-N236 PolarHBondContact OD1-N 3.1Å; D233-N236 PolarHBondContact OD2-ND2 2.95Å; N236-S239 PolarHBondContact O-OG 2.89Å; N236-H301 PolarHBondContact OD1-ND1 2.87Å
237E96.5Very high96.2Very high52 Ų5240.9 Ų40.924%0.24321%0.211CC..Hα-helixtrans-80.2-20-171.7-59.1176.8-141.200113.5V231 T232 D233 Y243V231-E237 WeakPolarHBondContact CA-OE2 3.44Å; V231-E237 HydrophobicContact CG1-CB 4.15Å; T232-E237 WeakPolarHBondContact CA-OE1 3.38Å; T232-E237 WeakPolarHBondContact CB-OE1 3.36Å; T232-E237 PolarHBondContact N-OE1 3.22Å; T232-E237 PolarHBondContact N-OE2 3.11Å; T232-E237 PolarHBondContact OG1-OE1 3Å; D233-E237 HydrophobicContact CB-CG 4.37Å; D233-E237 PolarHBondContact N-OE1 3.12Å; D233-E237 VanDerWaalsContact O-CB 3.24Å; D233-E237 WeakPolarHBondContact O-CB 3.34Å; D233-E237 WeakPolarHBondContact O-CG 3.46Å; D233-E237 PolarHBondContact O-N 3.39Å; E237-Y243 HydrophobicContact CB-CD2 4.29Å; E237-Y243 HydrophobicContact CB-CE2 4.05Å; E237-Y243 WeakPolarHBondContact O-CD2 3.43Å
238M96.5Very high96.3Very high0 Ų037.2 Ų37.20%019%0.192CC..THydrogen-bonded Turntrans-89.6-11.4177.7-55.3-74.6-59.700113V220 V231 L234 D240 G241 Y243 F244 T306 L310V220-M238 HydrophobicContact CG1-SD 4.28Å; V231-M238 HydrophobicContact CG1-CG 4.48Å; V231-M238 HydrophobicContact CG1-SD 4.41Å; V231-M238 HydrophobicContact CG2-SD 4.1Å; L234-M238 HydrophobicContact CD2-CG 4.43Å; L234-M238 WeakPolarHBondContact O-CB 3.44Å; L234-M238 WeakPolarHBondContact O-CG 3.47Å; L234-M238 PolarHBondContact O-N 3.32Å; M238-D240 PolarHBondContact O-N 3.15Å; M238-G241 PolarHBondContact O-N 3.36Å; M238-Y243 VanDerWaalsContact SD-CB 3.53Å; M238-Y243 HydrophobicContact SD-CD2 4.03Å; M238-Y243 HydrophobicContact SD-CG 4.32Å; M238-F244 HydrophobicContact CB-CD2 4.12Å; M238-F244 HydrophobicContact CB-CE2 3.58Å; M238-F244 HydrophobicContact CB-CZ 4.13Å; M238-F244 HydrophobicContact CE-CD1 3.62Å; M238-F244 HydrophobicContact CE-CD2 3.83Å; M238-F244 HydrophobicContact CE-CE1 3.56Å; M238-F244 HydrophobicContact CE-CE2 3.79Å; M238-F244 HydrophobicContact CE-CG 3.74Å; M238-F244 HydrophobicContact CE-CZ 3.64Å; M238-F244 WeakPolarHBondContact O-CD2 3.33Å; M238-T306 HydrophobicContact CB-CG2 4.26Å; M238-L310 HydrophobicContact CE-CD2 3.89Å
239S96.5Very high96.2Very high5 Ų530.2 Ų30.24%0.03516%0.156CC..THydrogen-bonded Turntrans-67.1-15.6-171.165.90000115.2N236 L275 H301N236-S239 PolarHBondContact O-OG 2.89Å; S239-L275 WeakPolarHBondContact O-CD1 3.46Å; S239-H301 WeakPolarHBondContact CB-CE1 3.46Å; S239-H301 WeakPolarHBondContact CB-ND1 3.49Å; S239-H301 PolarHBondContact OG-CE1 3.24Å; S239-H301 PolarHBondContact OG-ND1 3.31Å
240D97Very high96.1Very high39 Ų3930 Ų3021%0.20916%0.155CC..THydrogen-bonded Turntrans-92.8-1.5-179.276.7-1.2000113.9M238 V242 P265 K271 N274M238-D240 PolarHBondContact O-N 3.15Å; D240-V242 PolarHBondContact O-N 2.99Å; D240-V242 WeakPolarHBondContact OD1-CB 3.26Å; D240-V242 PolarHBondContact OD1-N 3.35Å; D240-P265 HydrophobicContact CB-CG 3.72Å; D240-K271 HydrophobicContact CB-CB 4.49Å; D240-K271 HydrophobicContact CB-CD 4.17Å; D240-K271 HydrophobicContact CB-CG 3.9Å; D240-N274 WeakPolarHBondContact O-CB 3.47Å; D240-N274 PolarHBondContact O-ND2 3.35Å
241G97.1Very high95.8Very high0 Ų026.1 Ų26.10%014%0.138CC..SBendtrans75.8-12.3179.500000115.7M238 Y243 F244 I245M238-G241 PolarHBondContact O-N 3.36Å; G241-Y243 PolarHBondContact O-N 3.3Å; G241-F244 PolarHBondContact O-N 3.37Å; G241-I245 WeakPolarHBondContact O-CG1 3.33Å; G241-I245 PolarHBondContact O-N 3.33Å
242V97.7Very high95.4Very high11 Ų1127.5 Ų27.57%0.06715%0.152CC..Hα-helixtrans-63.8-48.2-174.9176.50000110.6D240 F244 I245 L246 Y261 H262 P265 N274D240-V242 PolarHBondContact O-N 2.99Å; D240-V242 WeakPolarHBondContact OD1-CB 3.26Å; D240-V242 PolarHBondContact OD1-N 3.35Å; V242-F244 VanDerWaalsContact C-N 3.32Å; V242-F244 PolarHBondContact O-N 3.46Å; V242-I245 PolarHBondContact O-N 3.46Å; V242-L246 HydrophobicContact CG1-CD1 4.01Å; V242-L246 HydrophobicContact CG1-CG 4.5Å; V242-L246 WeakPolarHBondContact O-CG 3.36Å; V242-L246 PolarHBondContact O-N 2.95Å; V242-Y261 HydrophobicContact CG1-CE2 4.26Å; V242-H262 WeakPolarHBondContact CG2-O 3.46Å; V242-P265 HydrophobicContact CG2-CG 3.95Å; V242-N274 WeakPolarHBondContact CG2-ND2 3.4Å
243Y97.5Very high95.1Very high49 Ų4930.6 Ų30.619%0.19217%0.165CC..Hα-helixtrans-67.9-30.8179-70.9-11.1000113L224 L229 V231 E237 M238 G241 L246 L247L224-Y243 HydrophobicContact CD1-CD2 4.42Å; L224-Y243 HydrophobicContact CD1-CG 4.16Å; L229-Y243 HydrophobicContact CD1-CD1 4.32Å; L229-Y243 HydrophobicContact CD1-CE1 4.02Å; L229-Y243 HydrophobicContact CD2-CE1 4.17Å; L229-Y243 HydrophobicContact CG-CE1 4.47Å; V231-Y243 HydrophobicContact CG2-CD2 3.42Å; V231-Y243 VanDerWaalsContact CG2-CD2 3.42Å; V231-Y243 HydrophobicContact CG2-CE2 3.58Å; V231-Y243 HydrophobicContact CG2-CG 4.35Å; E237-Y243 HydrophobicContact CB-CD2 4.29Å; E237-Y243 HydrophobicContact CB-CE2 4.05Å; E237-Y243 WeakPolarHBondContact O-CD2 3.43Å; M238-Y243 VanDerWaalsContact SD-CB 3.53Å; M238-Y243 HydrophobicContact SD-CD2 4.03Å; M238-Y243 HydrophobicContact SD-CG 4.32Å; G241-Y243 PolarHBondContact O-N 3.3Å; Y243-L246 HydrophobicContact CD1-CD1 4.43Å; Y243-L247 WeakPolarHBondContact O-CB 3.32Å; Y243-L247 PolarHBondContact O-N 3.38Å
244F96.5Very high94.9Very high1 Ų130.7 Ų30.70%0.00416%0.162CC..Hα-helixtrans-65.3-46.1172.4-82.9-64.4000112.1M238 G241 V242 L246 L247 L248 L275 A278 V298 T306 L309 L310 L313M238-F244 HydrophobicContact CB-CD2 4.12Å; M238-F244 HydrophobicContact CB-CE2 3.58Å; M238-F244 HydrophobicContact CB-CZ 4.13Å; M238-F244 HydrophobicContact CE-CD1 3.62Å; M238-F244 HydrophobicContact CE-CD2 3.83Å; M238-F244 HydrophobicContact CE-CE1 3.56Å; M238-F244 HydrophobicContact CE-CE2 3.79Å; M238-F244 HydrophobicContact CE-CG 3.74Å; M238-F244 HydrophobicContact CE-CZ 3.64Å; M238-F244 WeakPolarHBondContact O-CD2 3.33Å; G241-F244 PolarHBondContact O-N 3.37Å; V242-F244 VanDerWaalsContact C-N 3.32Å; V242-F244 PolarHBondContact O-N 3.46Å; F244-L246 VanDerWaalsContact C-N 3.35Å; F244-L246 PolarHBondContact O-N 3.15Å; F244-L247 PolarHBondContact O-N 3Å; F244-L248 WeakPolarHBondContact O-CB 3.16Å; F244-L248 WeakPolarHBondContact O-CG 3.3Å; F244-L248 PolarHBondContact O-N 3.48Å; F244-L275 HydrophobicContact CD2-CD2 4.18Å; F244-A278 HydrophobicContact CB-CB 3.83Å; F244-V298 HydrophobicContact CE2-CG1 3.88Å; F244-T306 HydrophobicContact CZ-CG2 4.18Å; F244-L309 HydrophobicContact CD1-CD2 3.62Å; F244-L309 HydrophobicContact CD1-CG 4Å; F244-L309 HydrophobicContact CD2-CD2 4.14Å; F244-L309 HydrophobicContact CE1-CB 4.12Å; F244-L309 HydrophobicContact CE1-CD2 3.34Å; F244-L309 HydrophobicContact CE1-CG 3.49Å; F244-L309 VanDerWaalsContact CE1-CG 3.49Å; F244-L309 HydrophobicContact CE2-CD2 3.88Å; F244-L309 HydrophobicContact CG-CD2 4.02Å; F244-L309 HydrophobicContact CZ-CB 4.21Å; F244-L309 HydrophobicContact CZ-CD2 3.5Å; F244-L309 VanDerWaalsContact CZ-CD2 3.5Å; F244-L309 HydrophobicContact CZ-CG 3.94Å; F244-L310 HydrophobicContact CD1-CD2 4.47Å; F244-L310 HydrophobicContact CE1-CD2 3.61Å; F244-L310 HydrophobicContact CE1-CG 3.87Å; F244-L310 HydrophobicContact CZ-CD2 4.17Å; F244-L310 HydrophobicContact CZ-CG 4.04Å; F244-L313 HydrophobicContact CD1-CD1 4.32Å; F244-L313 HydrophobicContact CE1-CD1 4.5Å
245I97.5Very high94.7Very high0 Ų037.8 Ų37.80%019%0.193CC..Hα-helixtrans-59.6-47.5177.2-66.9171.8000110.7G241 V242 L248 G249 V256 Y261 N274 V277 A278 L281G241-I245 WeakPolarHBondContact O-CG1 3.33Å; G241-I245 PolarHBondContact O-N 3.33Å; V242-I245 PolarHBondContact O-N 3.46Å; I245-L248 PolarHBondContact O-N 3.15Å; I245-G249 PolarHBondContact O-N 3.27Å; I245-V256 HydrophobicContact CG2-CB 3.84Å; I245-V256 HydrophobicContact CG2-CG1 3.67Å; I245-V256 HydrophobicContact CG2-CG2 3.86Å; I245-Y261 VanDerWaalsContact CD1-CB 3.43Å; I245-Y261 HydrophobicContact CD1-CD1 4.26Å; I245-Y261 HydrophobicContact CD1-CD2 3.82Å; I245-Y261 HydrophobicContact CD1-CG 3.59Å; I245-Y261 HydrophobicContact CG2-CD1 3.99Å; I245-Y261 HydrophobicContact CG2-CE1 4Å; I245-Y261 HydrophobicContact CG2-CG 4.29Å; I245-N274 HydrophobicContact CD1-CB 4.01Å; I245-N274 WeakPolarHBondContact CD1-O 3.28Å; I245-V277 HydrophobicContact CD1-CB 4.12Å; I245-V277 HydrophobicContact CD1-CG1 3.91Å; I245-V277 HydrophobicContact CG1-CG1 4.24Å; I245-A278 HydrophobicContact CG1-CB 3.9Å; I245-L281 HydrophobicContact CG2-CD1 4.19Å
246L96.8Very high94.7Very high35 Ų3535.4 Ų35.418%0.18318%0.183CC..Hα-helixtrans-65.5-41.1179.7-68.1176.9000111.8L224 L227 L229 V242 Y243 F244 G249 L250L224-L246 HydrophobicContact CD2-CB 4.14Å; L227-L246 HydrophobicContact CD1-CB 4.38Å; L227-L246 HydrophobicContact CD1-CD2 4.17Å; L229-L246 HydrophobicContact CD1-CD1 3.45Å; L229-L246 VanDerWaalsContact CD1-CD1 3.45Å; V242-L246 HydrophobicContact CG1-CD1 4.01Å; V242-L246 HydrophobicContact CG1-CG 4.5Å; V242-L246 WeakPolarHBondContact O-CG 3.36Å; V242-L246 PolarHBondContact O-N 2.95Å; Y243-L246 HydrophobicContact CD1-CD1 4.43Å; F244-L246 VanDerWaalsContact C-N 3.35Å; F244-L246 PolarHBondContact O-N 3.15Å; L246-G249 PolarHBondContact O-N 2.98Å; L246-L250 VanDerWaalsContact O-CG 3.28Å; L246-L250 WeakPolarHBondContact O-CG 3.47Å; L246-L250 PolarHBondContact O-N 2.94Å
247L96.3Very high94.6Very high0 Ų034.3 Ų34.30%018%0.179CC..Hα-helixtrans-61.7-47.5176.8-17962000110.9V220 N223 L224 Y243 F244 G249 L250 L251 L310 L313V220-L247 HydrophobicContact CG2-CD2 4.07Å; N223-L247 HydrophobicContact CB-CD1 3.55Å; L224-L247 HydrophobicContact CD2-CB 4.26Å; Y243-L247 WeakPolarHBondContact O-CB 3.32Å; Y243-L247 PolarHBondContact O-N 3.38Å; F244-L247 PolarHBondContact O-N 3Å; L247-G249 PolarHBondContact O-N 3.43Å; L247-L250 PolarHBondContact O-N 2.87Å; L247-L251 HydrophobicContact CD1-CD1 3.92Å; L247-L251 HydrophobicContact CD1-CG 4.03Å; L247-L251 HydrophobicContact CD2-CD1 4.44Å; L247-L251 HydrophobicContact CG-CD1 3.73Å; L247-L251 HydrophobicContact CG-CG 4.26Å; L247-L251 WeakPolarHBondContact O-CB 3.44Å; L247-L251 WeakPolarHBondContact O-CG 3.28Å; L247-L251 PolarHBondContact O-N 3.24Å; L247-L310 HydrophobicContact CD2-CD2 3.97Å; L247-L313 HydrophobicContact CD2-CD1 3.9Å; L247-L313 HydrophobicContact CG-CD1 4.47Å
248L94.9Very high94.3Very high4 Ų436.2 Ų36.22%0.02119%0.191CC..Hα-helixtrans-57.7-48.1176.5-80.3163.9000112.2F244 I245 L250 L251 G252 A278 L281 A282 E286 L313F244-L248 WeakPolarHBondContact O-CB 3.16Å; F244-L248 WeakPolarHBondContact O-CG 3.3Å; F244-L248 PolarHBondContact O-N 3.48Å; I245-L248 PolarHBondContact O-N 3.15Å; L248-L250 VanDerWaalsContact C-N 3.31Å; L248-L250 PolarHBondContact O-N 2.75Å; L248-L251 PolarHBondContact O-N 2.95Å; L248-G252 PolarHBondContact O-N 2.88Å; L248-A278 HydrophobicContact CD1-CB 4.16Å; L248-A278 WeakPolarHBondContact CD1-O 3.47Å; L248-L281 HydrophobicContact CD1-CB 4.05Å; L248-A282 HydrophobicContact CD1-CB 4.29Å; L248-A282 HydrophobicContact CD2-CB 4.16Å; L248-E286 HydrophobicContact CD2-CG 3.86Å; L248-L313 HydrophobicContact CD2-CD2 3.66Å
249G93.9Very high94.2Very high7 Ų744.4 Ų44.47%0.07223%0.229CC..Hα-helixtrans-59.8-39.2176.600000113.2I245 L246 L247 N253 Y254I245-G249 PolarHBondContact O-N 3.27Å; L246-G249 PolarHBondContact O-N 2.98Å; L247-G249 PolarHBondContact O-N 3.43Å; G249-N253 WeakPolarHBondContact O-CA 3.42Å; G249-N253 PolarHBondContact O-N 2.93Å; G249-Y254 CarbonylContact C-O 3.32Å; G249-Y254 VanDerWaalsContact CA-O 3.26Å; G249-Y254 WeakPolarHBondContact CA-O 3.36Å; G249-Y254 PolarHBondContact O-N 2.85Å
250L93.6Very high94.1Very high40 Ų4046.3 Ų46.321%0.20925%0.245CC..Hα-helixtrans-70.5-36.7176.5-71.8168.2000113.2N223 L224 K226 L227 L246 L247 L248N223-L250 WeakPolarHBondContact O-CD1 3.22Å; L224-L250 HydrophobicContact CD2-CD1 4.07Å; K226-L250 HydrophobicContact CB-CD2 4.22Å; K226-L250 HydrophobicContact CD-CD2 4.27Å; L227-L250 HydrophobicContact CD1-CD1 3.82Å; L227-L250 HydrophobicContact CD1-CD2 4.28Å; L227-L250 HydrophobicContact CD1-CG 4.21Å; L227-L250 HydrophobicContact CD2-CD2 4.39Å; L227-L250 HydrophobicContact CG-CD1 4.02Å; L227-L250 HydrophobicContact CG-CD2 4.13Å; L227-L250 HydrophobicContact CG-CG 4.49Å; L246-L250 VanDerWaalsContact O-CG 3.28Å; L246-L250 WeakPolarHBondContact O-CG 3.47Å; L246-L250 PolarHBondContact O-N 2.94Å; L247-L250 PolarHBondContact O-N 2.87Å; L248-L250 VanDerWaalsContact C-N 3.31Å; L248-L250 PolarHBondContact O-N 2.75Å
251L91.3Very high94.1Very high22 Ų2245.3 Ų45.312%0.11524%0.238CC..Hα-helixtrans-73.2-46.8-179.6-71.5174000111.5F219 L247 L248 N253 L313 Y317F219-L251 HydrophobicContact CE1-CD1 4.36Å; F219-L251 HydrophobicContact CE2-CD2 4.05Å; F219-L251 HydrophobicContact CZ-CD1 3.85Å; F219-L251 HydrophobicContact CZ-CD2 3.77Å; F219-L251 HydrophobicContact CZ-CG 4.47Å; L247-L251 HydrophobicContact CD1-CD1 3.92Å; L247-L251 HydrophobicContact CD1-CG 4.03Å; L247-L251 HydrophobicContact CD2-CD1 4.44Å; L247-L251 HydrophobicContact CG-CD1 3.73Å; L247-L251 HydrophobicContact CG-CG 4.26Å; L247-L251 WeakPolarHBondContact O-CB 3.44Å; L247-L251 WeakPolarHBondContact O-CG 3.28Å; L247-L251 PolarHBondContact O-N 3.24Å; L248-L251 PolarHBondContact O-N 2.95Å; L251-N253 VanDerWaalsContact C-N 3.3Å; L251-N253 PolarHBondContact O-N 3.1Å; L251-L313 HydrophobicContact CD1-CB 4.17Å; L251-L313 HydrophobicContact CD1-CD1 4.45Å; L251-L313 HydrophobicContact CD1-CD2 4.36Å; L251-Y317 HydrophobicContact CB-CD1 3.93Å; L251-Y317 HydrophobicContact CB-CD2 3.97Å; L251-Y317 HydrophobicContact CB-CE1 4.01Å; L251-Y317 HydrophobicContact CB-CE2 4.07Å; L251-Y317 HydrophobicContact CB-CG 3.94Å; L251-Y317 HydrophobicContact CD1-CD2 3.72Å; L251-Y317 HydrophobicContact CD1-CE2 4.17Å; L251-Y317 HydrophobicContact CD1-CG 4.21Å; L251-Y317 HydrophobicContact CD2-CD1 4.41Å; L251-Y317 HydrophobicContact CD2-CD2 4.27Å; L251-Y317 HydrophobicContact CD2-CG 3.9Å; L251-Y317 HydrophobicContact CG-CD2 4.2Å; L251-Y317 HydrophobicContact CG-CG 4.23Å
252G88.1Confident94.2Very high29 Ų2949 Ų4930%0.29926%0.256SS..THydrogen-bonded Turntrans-86.33.1177.600000114.5L248 Y254L248-G252 PolarHBondContact O-N 2.88Å; G252-Y254 WeakPolarHBondContact O-CD1 3.4Å; G252-Y254 PolarHBondContact O-N 3.04Å
253N89.1Confident94.1Very high151 Ų15152.8 Ų52.881%0.80727%0.274SS*.THydrogen-bonded Turntrans58.146176.4-168.842.8000114G249 L251G249-N253 WeakPolarHBondContact O-CA 3.42Å; G249-N253 PolarHBondContact O-N 2.93Å; L251-N253 VanDerWaalsContact C-N 3.3Å; L251-N253 PolarHBondContact O-N 3.1Å
254Y91.8Very high94Very high59 Ų5955.8 Ų55.823%0.23130%0.298CS..  trans-133.8163.8171.958.2-86000111.6G249 G252 V256 L281 V285 E286G249-Y254 CarbonylContact C-O 3.32Å; G249-Y254 VanDerWaalsContact CA-O 3.26Å; G249-Y254 WeakPolarHBondContact CA-O 3.36Å; G249-Y254 PolarHBondContact O-N 2.85Å; G252-Y254 WeakPolarHBondContact O-CD1 3.4Å; G252-Y254 PolarHBondContact O-N 3.04Å; Y254-V256 HydrophobicContact CD2-CG2 4.07Å; Y254-V256 HydrophobicContact CE2-CG2 3.71Å; Y254-L281 HydrophobicContact CE2-CD2 4.12Å; Y254-V285 HydrophobicContact CD1-CG1 4.22Å; Y254-V285 HydrophobicContact CE1-CG1 3.77Å; Y254-E286 WeakPolarHBondContact CE1-OE1 3.47Å; Y254-E286 VanDerWaalsContact CZ-OE1 3.22Å; Y254-E286 PolarHBondContact OH-OE1 3.33Å
255F91.5Very high94Very high151 Ų15156.5 Ų56.566%0.66230%0.303SS*.PPolyproline II helixtrans-98.5127.5177175.3-105.7000110.4P257 L258F255-P257 HydrophobicContact CE1-CB 4.35Å; F255-P257 WeakPolarHBondContact O-CD 3.36Å; F255-L258 HydrophobicContact CZ-CG 4.25Å
256V93.2Very high93.9Very high14 Ų1462 Ų629%0.08534%0.336CS..PPolyproline II helixtrans-89.5118.1169.4-174.80000108.5I245 Y254 L258 A260 Y261 L281I245-V256 HydrophobicContact CG2-CB 3.84Å; I245-V256 HydrophobicContact CG2-CG1 3.67Å; I245-V256 HydrophobicContact CG2-CG2 3.86Å; Y254-V256 HydrophobicContact CD2-CG2 4.07Å; Y254-V256 HydrophobicContact CE2-CG2 3.71Å; V256-L258 PolarHBondContact O-N 3.05Å; V256-A260 HydrophobicContact CG1-CB 4.37Å; V256-Y261 HydrophobicContact CB-CE1 4.38Å; V256-Y261 HydrophobicContact CG1-CD1 3.91Å; V256-Y261 HydrophobicContact CG1-CE1 4.03Å; V256-L281 HydrophobicContact CG1-CD1 4.11Å; V256-L281 HydrophobicContact CG2-CD1 3.6Å
257P92.9Very high93.9Very high51 Ų5163.5 Ų63.533%0.33135%0.347SS..PPolyproline II helixtrans-58133.7-179.3-24.434.1000112.8F255 H259 A260F255-P257 HydrophobicContact CE1-CB 4.35Å; F255-P257 WeakPolarHBondContact O-CD 3.36Å; P257-H259 WeakPolarHBondContact CB-CE1 3.31Å; P257-H259 WeakPolarHBondContact CB-ND1 3.28Å; P257-H259 PolarHBondContact O-N 3.49Å; P257-A260 WeakPolarHBondContact O-CB 3.45Å; P257-A260 PolarHBondContact O-N 3.22Å
258L91.7Very high94Very high92 Ų9268.4 Ų68.448%0.48237%0.374SS..THydrogen-bonded Turntrans-60.6-17.6-177.1-65.8-176.2000115F255 V256 Y261 I263F255-L258 HydrophobicContact CZ-CG 4.25Å; V256-L258 PolarHBondContact O-N 3.05Å; L258-Y261 HydrophobicContact CD2-CE1 4.27Å; L258-Y261 WeakPolarHBondContact CD2-OH 3.27Å; L258-Y261 VanDerWaalsContact O-O 3.09Å; L258-I263 HydrophobicContact CB-CD1 4.14Å; L258-I263 HydrophobicContact CD1-CD1 4.18Å; L258-I263 HydrophobicContact CD2-CD1 3.94Å; L258-I263 HydrophobicContact CD2-CG1 4.32Å; L258-I263 HydrophobicContact CG-CD1 4.3Å
259H93Very high94.1Very high172 Ų17271.6 Ų71.680%0.79640%0.401SS*.THydrogen-bonded Turntrans-86.5-9.5175.863.9-88000112.9P257 Y261P257-H259 WeakPolarHBondContact CB-CE1 3.31Å; P257-H259 WeakPolarHBondContact CB-ND1 3.28Å; P257-H259 PolarHBondContact O-N 3.49Å; H259-Y261 VanDerWaalsContact C-N 3.33Å
260A94.6Very high94.3Very high46 Ų4673.7 Ų73.738%0.3841%0.408SS..SBendtrans-81.3-13.6179.600000112.8V256 P257V256-A260 HydrophobicContact CG1-CB 4.37Å; P257-A260 WeakPolarHBondContact O-CB 3.45Å; P257-A260 PolarHBondContact O-N 3.22Å
261Y97.8Very high94.5Very high17 Ų1774.1 Ų74.17%0.06741%0.408CS..SBendtrans-149.9164.4-178.870.8-82.1000111.6V242 I245 V256 L258 H259 I263 N274V242-Y261 HydrophobicContact CG1-CE2 4.26Å; I245-Y261 VanDerWaalsContact CD1-CB 3.43Å; I245-Y261 HydrophobicContact CD1-CD1 4.26Å; I245-Y261 HydrophobicContact CD1-CD2 3.82Å; I245-Y261 HydrophobicContact CD1-CG 3.59Å; I245-Y261 HydrophobicContact CG2-CD1 3.99Å; I245-Y261 HydrophobicContact CG2-CE1 4Å; I245-Y261 HydrophobicContact CG2-CG 4.29Å; V256-Y261 HydrophobicContact CB-CE1 4.38Å; V256-Y261 HydrophobicContact CG1-CD1 3.91Å; V256-Y261 HydrophobicContact CG1-CE1 4.03Å; L258-Y261 HydrophobicContact CD2-CE1 4.27Å; L258-Y261 WeakPolarHBondContact CD2-OH 3.27Å; L258-Y261 VanDerWaalsContact O-O 3.09Å; H259-Y261 VanDerWaalsContact C-N 3.33Å; Y261-I263 HydrophobicContact CE2-CG1 4.14Å; Y261-N274 WeakPolarHBondContact CB-OD1 3.4Å
262H98.1Very high94.8Very high78 Ų7874.9 Ų74.936%0.36141%0.412SS..  trans-86.8111.9177.4-60.9-75000110V242 T264 P265 Q270 N274V242-H262 WeakPolarHBondContact CG2-O 3.46Å; H262-T264 VanDerWaalsContact C-N 3.32Å; H262-T264 PolarHBondContact O-N 3.14Å; H262-P265 HydrophobicContact CB-CB 4.07Å; H262-P265 WeakPolarHBondContact O-CD 3.46Å; H262-Q270 HydrophobicContact CB-CB 4.19Å; H262-N274 PolarHBondContact N-OD1 3.16Å; H262-N274 PolarHBondContact O-ND2 3.49Å
263I95.7Very high95.3Very high90 Ų9075 Ų7546%0.46241%0.411SS..SBendtrans-65.9-36.8179.7-55.3170.4000111.7L258 Y261 P265L258-I263 HydrophobicContact CB-CD1 4.14Å; L258-I263 HydrophobicContact CD1-CD1 4.18Å; L258-I263 HydrophobicContact CD2-CD1 3.94Å; L258-I263 HydrophobicContact CD2-CG1 4.32Å; L258-I263 HydrophobicContact CG-CD1 4.3Å; Y261-I263 HydrophobicContact CE2-CG1 4.14Å; I263-P265 WeakPolarHBondContact O-CD 3.39Å
264T95.8Very high95.7Very high112 Ų11267.8 Ų67.869%0.68737%0.372SS*.SBendtrans-124.371.6179.157.40000108.9H262 T266H262-T264 VanDerWaalsContact C-N 3.32Å; H262-T264 PolarHBondContact O-N 3.14Å; T264-T266 PolarHBondContact O-N 3.26Å
265P96.6Very high96Very high17 Ų1765 Ų6511%0.1136%0.361CS..  trans-67.5125.1-177.930.5-33.7000109.6D240 V242 H262 I263 Q270 K271D240-P265 HydrophobicContact CB-CG 3.72Å; V242-P265 HydrophobicContact CG2-CG 3.95Å; H262-P265 HydrophobicContact CB-CB 4.07Å; H262-P265 WeakPolarHBondContact O-CD 3.46Å; I263-P265 WeakPolarHBondContact O-CD 3.39Å; P265-Q270 HydrophobicContact CB-CB 3.76Å; P265-K271 HydrophobicContact CB-CG 3.85Å; P265-K271 HydrophobicContact CG-CG 4.14Å
266T95.4Very high96.2Very high114 Ų11462.4 Ų62.470%0.69935%0.351SS*.  trans-108.2-19.3-176.853.90000113T264 Q270T264-T266 PolarHBondContact O-N 3.26Å; T266-Q270 PolarHBondContact OG1-OE1 3.25Å; T266-Q270 VanDerWaalsContact OG1-OE1 3.08Å
267T97.2Very high96.3Very high68 Ų6863.3 Ų63.342%0.41736%0.357SS..SBendtrans-119.5153.1179.668.30000110.7A269 Q270 K271T267-A269 PolarHBondContact O-N 3.25Å; T267-Q270 WeakPolarHBondContact O-CB 3.49Å; T267-Q270 PolarHBondContact O-N 3.03Å; T267-Q270 WeakPolarHBondContact OG1-CG 3.3Å; T267-Q270 PolarHBondContact OG1-N 3.45Å; T267-K271 WeakPolarHBondContact O-CG 3.49Å; T267-K271 PolarHBondContact O-N 2.81Å
268D97.3Very high96.5Very high103 Ų10361 Ų6155%0.55134%0.342SS*.Hα-helixtrans-60.1-30177.4-67.9-11.8000112.3K271 L272 L299D268-K271 PolarHBondContact O-N 2.77Å; D268-K271 IonicContact OD1-NZ 2.75Å; D268-L272 VanDerWaalsContact O-CB 3.28Å; D268-L272 WeakPolarHBondContact O-CB 3.3Å; D268-L272 PolarHBondContact O-N 3.02Å; D268-L299 HydrophobicContact CB-CD1 4.47Å; D268-L299 HydrophobicContact CB-CD2 4.32Å
269A97.3Very high96.6Very high71 Ų7157.8 Ų57.859%0.58732%0.324SS*.Hα-helixtrans-63.6-40.2172.600000112.4T267 A273T267-A269 PolarHBondContact O-N 3.25Å; A269-A273 WeakPolarHBondContact O-CB 3.15Å; A269-A273 PolarHBondContact O-N 2.76Å
270Q98.2Very high96.5Very high51 Ų5155.1 Ų55.124%0.23831%0.312CS..Hα-helixtrans-69.3-41.3176.3-71.2175.3-12.600111.6H262 P265 T266 T267 A273 N274H262-Q270 HydrophobicContact CB-CB 4.19Å; P265-Q270 HydrophobicContact CB-CB 3.76Å; T266-Q270 PolarHBondContact OG1-OE1 3.25Å; T266-Q270 VanDerWaalsContact OG1-OE1 3.08Å; T267-Q270 WeakPolarHBondContact O-CB 3.49Å; T267-Q270 PolarHBondContact O-N 3.03Å; T267-Q270 WeakPolarHBondContact OG1-CG 3.3Å; T267-Q270 PolarHBondContact OG1-N 3.45Å; Q270-A273 PolarHBondContact O-N 3.39Å; Q270-N274 PolarHBondContact O-N 3.49Å; Q270-N274 PolarHBondContact O-OD1 3.39Å
271K98.3Very high96.4Very high48 Ų4854.3 Ų54.321%0.20930%0.301CS..Hα-helixtrans-62.6-45.4175.5-63.9-178.7-177.7174.10111.7D240 P265 T267 D268 A273 N274 L275 L299D240-K271 HydrophobicContact CB-CB 4.49Å; D240-K271 HydrophobicContact CB-CD 4.17Å; D240-K271 HydrophobicContact CB-CG 3.9Å; P265-K271 HydrophobicContact CB-CG 3.85Å; P265-K271 HydrophobicContact CG-CG 4.14Å; T267-K271 WeakPolarHBondContact O-CG 3.49Å; T267-K271 PolarHBondContact O-N 2.81Å; D268-K271 PolarHBondContact O-N 2.77Å; D268-K271 IonicContact OD1-NZ 2.75Å; K271-A273 VanDerWaalsContact C-N 3.34Å; K271-A273 PolarHBondContact O-N 2.56Å; K271-N274 WeakPolarHBondContact O-CB 3.3Å; K271-N274 PolarHBondContact O-N 3.03Å; K271-L275 WeakPolarHBondContact O-CG 3.11Å; K271-L275 PolarHBondContact O-N 3.32Å; K271-L299 HydrophobicContact CB-CD1 3.46Å; K271-L299 VanDerWaalsContact CB-CD1 3.46Å; K271-L299 HydrophobicContact CD-CD1 3.8Å; K271-L299 HydrophobicContact CG-CD1 4.31Å
272L97.8Very high95.9Very high38 Ų3853.5 Ų53.520%0.19930%0.298CS..Hα-helixtrans-61.8-43.1176.9-173.258.7000111.5D268 N274 L275 Q276 P295 E296 L299D268-L272 VanDerWaalsContact O-CB 3.28Å; D268-L272 WeakPolarHBondContact O-CB 3.3Å; D268-L272 PolarHBondContact O-N 3.02Å; L272-N274 VanDerWaalsContact C-N 3.31Å; L272-N274 PolarHBondContact O-N 3.39Å; L272-L275 PolarHBondContact O-N 3.2Å; L272-Q276 WeakPolarHBondContact O-CG 3.39Å; L272-Q276 PolarHBondContact O-N 3.33Å; L272-P295 HydrophobicContact CD1-CB 3.74Å; L272-E296 HydrophobicContact CD1-CG 4.02Å; L272-L299 HydrophobicContact CB-CD2 4.05Å; L272-L299 HydrophobicContact CD1-CD2 4.28Å
273A97.7Very high95.4Very high32 Ų3253.3 Ų53.326%0.26430%0.297SS..Hα-helixtrans-59.5-42.4175.900000111.7A269 Q270 K271 Q276 V277A269-A273 WeakPolarHBondContact O-CB 3.15Å; A269-A273 PolarHBondContact O-N 2.76Å; Q270-A273 PolarHBondContact O-N 3.39Å; K271-A273 VanDerWaalsContact C-N 3.34Å; K271-A273 PolarHBondContact O-N 2.56Å; A273-Q276 PolarHBondContact O-N 2.76Å; A273-V277 WeakPolarHBondContact O-CG2 3.27Å; A273-V277 PolarHBondContact O-N 2.91Å
274N98.4Very high94.7Very high0 Ų052 Ų520%029%0.291CS..Hα-helixtrans-62.2-43.7174.3-71.4-4.1000112.3D240 V242 I245 Y261 H262 Q270 K271 L272 Q276 V277 A278D240-N274 WeakPolarHBondContact O-CB 3.47Å; D240-N274 PolarHBondContact O-ND2 3.35Å; V242-N274 WeakPolarHBondContact CG2-ND2 3.4Å; I245-N274 HydrophobicContact CD1-CB 4.01Å; I245-N274 WeakPolarHBondContact CD1-O 3.28Å; Y261-N274 WeakPolarHBondContact CB-OD1 3.4Å; H262-N274 PolarHBondContact N-OD1 3.16Å; H262-N274 PolarHBondContact O-ND2 3.49Å; Q270-N274 PolarHBondContact O-N 3.49Å; Q270-N274 PolarHBondContact O-OD1 3.39Å; K271-N274 WeakPolarHBondContact O-CB 3.3Å; K271-N274 PolarHBondContact O-N 3.03Å; L272-N274 VanDerWaalsContact C-N 3.31Å; L272-N274 PolarHBondContact O-N 3.39Å; N274-Q276 VanDerWaalsContact C-N 3.34Å; N274-Q276 PolarHBondContact O-N 3.06Å; N274-V277 WeakPolarHBondContact O-CB 3.36Å; N274-V277 PolarHBondContact O-N 3.23Å; N274-A278 PolarHBondContact O-N 2.94Å
275L97.4Very high94Very high0 Ų048.8 Ų48.80%027%0.272CS..Hα-helixtrans-64.3-40177.7-69.7165.9000111.5S239 F244 K271 L272 V277 A278 F279 P295 V298 L299S239-L275 WeakPolarHBondContact O-CD1 3.46Å; F244-L275 HydrophobicContact CD2-CD2 4.18Å; K271-L275 WeakPolarHBondContact O-CG 3.11Å; K271-L275 PolarHBondContact O-N 3.32Å; L272-L275 PolarHBondContact O-N 3.2Å; L275-V277 VanDerWaalsContact C-N 3.32Å; L275-V277 PolarHBondContact O-N 3.13Å; L275-A278 WeakPolarHBondContact O-CB 3.43Å; L275-A278 PolarHBondContact O-N 3.02Å; L275-F279 WeakPolarHBondContact O-CD2 3.44Å; L275-F279 PolarHBondContact O-N 2.83Å; L275-P295 HydrophobicContact CB-CB 3.84Å; L275-P295 WeakPolarHBondContact CD1-O 3.41Å; L275-V298 HydrophobicContact CD1-CB 4.13Å; L275-V298 HydrophobicContact CD1-CG1 4.26Å; L275-V298 HydrophobicContact CD2-CB 4.01Å; L275-V298 HydrophobicContact CD2-CG1 3.57Å; L275-L299 HydrophobicContact CD1-CB 3.79Å
276Q96.1Very high93.2Very high97 Ų9748.7 Ų48.745%0.45327%0.27SS..Hα-helixtrans-60.8-41.7173.2-72.7172.7-19.400111.7L272 A273 N274 F279 Q280 P295L272-Q276 WeakPolarHBondContact O-CG 3.39Å; L272-Q276 PolarHBondContact O-N 3.33Å; A273-Q276 PolarHBondContact O-N 2.76Å; N274-Q276 VanDerWaalsContact C-N 3.34Å; N274-Q276 PolarHBondContact O-N 3.06Å; Q276-F279 PolarHBondContact O-N 3.13Å; Q276-Q280 VanDerWaalsContact O-CB 3.31Å; Q276-Q280 WeakPolarHBondContact O-CB 3.43Å; Q276-Q280 PolarHBondContact O-N 2.98Å; Q276-P295 HydrophobicContact CG-CB 4.26Å; Q276-P295 HydrophobicContact CG-CG 4.16Å
277V96Very high92.2Very high33 Ų3343.7 Ų43.720%0.224%0.24CC..Hα-helixtrans-62.2-44.2173.4170.80000111.1I245 A273 N274 L275 F279 Q280 L281I245-V277 HydrophobicContact CD1-CB 4.12Å; I245-V277 HydrophobicContact CD1-CG1 3.91Å; I245-V277 HydrophobicContact CG1-CG1 4.24Å; A273-V277 WeakPolarHBondContact O-CG2 3.27Å; A273-V277 PolarHBondContact O-N 2.91Å; N274-V277 WeakPolarHBondContact O-CB 3.36Å; N274-V277 PolarHBondContact O-N 3.23Å; L275-V277 VanDerWaalsContact C-N 3.32Å; L275-V277 PolarHBondContact O-N 3.13Å; V277-F279 PolarHBondContact O-N 2.97Å; V277-Q280 PolarHBondContact O-N 3.5Å; V277-L281 HydrophobicContact CG1-CD1 4.02Å; V277-L281 HydrophobicContact CG1-CG 4.36Å; V277-L281 WeakPolarHBondContact O-CB 3.45Å; V277-L281 VanDerWaalsContact O-CG 3.28Å; V277-L281 WeakPolarHBondContact O-CG 3.32Å; V277-L281 PolarHBondContact O-N 3.4Å
278A95.7Very high91.4Very high3 Ų340.9 Ų40.93%0.02522%0.223CC..Hα-helixtrans-60.3-44.3176.900000112.1F244 I245 L248 N274 L275 L281 A282F244-A278 HydrophobicContact CB-CB 3.83Å; I245-A278 HydrophobicContact CG1-CB 3.9Å; L248-A278 HydrophobicContact CD1-CB 4.16Å; L248-A278 WeakPolarHBondContact CD1-O 3.47Å; N274-A278 PolarHBondContact O-N 2.94Å; L275-A278 WeakPolarHBondContact O-CB 3.43Å; L275-A278 PolarHBondContact O-N 3.02Å; A278-L281 PolarHBondContact O-N 3.27Å; A278-A282 WeakPolarHBondContact O-CB 3.4Å; A278-A282 PolarHBondContact O-N 3.4Å
279F93.9Very high90.3Very high23 Ų2340.3 Ų40.310%0.10122%0.22CC..Hα-helixtrans-67-40.8178.6-83.5-123.5000111.5L275 Q276 V277 A282 H283 L290 N293 P295 V298 L309L275-F279 WeakPolarHBondContact O-CD2 3.44Å; L275-F279 PolarHBondContact O-N 2.83Å; Q276-F279 PolarHBondContact O-N 3.13Å; V277-F279 PolarHBondContact O-N 2.97Å; F279-A282 PolarHBondContact O-N 3.39Å; F279-H283 PolarHBondContact O-N 3.4Å; F279-L290 HydrophobicContact CB-CD1 4.32Å; F279-L290 HydrophobicContact CD1-CB 4.05Å; F279-L290 HydrophobicContact CD1-CD1 3.64Å; F279-L290 HydrophobicContact CD2-CD1 4.33Å; F279-L290 HydrophobicContact CE1-CB 4.13Å; F279-L290 HydrophobicContact CE1-CD1 3.97Å; F279-L290 HydrophobicContact CG-CD1 3.85Å; F279-L290 HydrophobicContact CZ-CD1 4.48Å; F279-N293 HydrophobicContact CE1-CB 3.62Å; F279-N293 WeakPolarHBondContact CE1-O 3.43Å; F279-N293 HydrophobicContact CZ-CB 3.81Å; F279-P295 HydrophobicContact CD1-CG 3.96Å; F279-P295 HydrophobicContact CD2-CG 4.17Å; F279-P295 HydrophobicContact CE1-CG 4.16Å; F279-P295 HydrophobicContact CE2-CG 4.33Å; F279-P295 HydrophobicContact CG-CG 3.96Å; F279-P295 HydrophobicContact CZ-CG 4.33Å; F279-V298 HydrophobicContact CE2-CG2 4.47Å; F279-V298 HydrophobicContact CZ-CG2 4.33Å; F279-L309 HydrophobicContact CD2-CD2 4.43Å; F279-L309 HydrophobicContact CE2-CD2 3.67Å; F279-L309 HydrophobicContact CZ-CD2 4.13Å
280Q91.6Very high89.3Confident116 Ų11637.8 Ų37.854%0.54220%0.196SC..Hα-helixtrans-62.8-43.4174.9-173.4175.38.600111.3Q276 V277 H283 D284Q276-Q280 VanDerWaalsContact O-CB 3.31Å; Q276-Q280 WeakPolarHBondContact O-CB 3.43Å; Q276-Q280 PolarHBondContact O-N 2.98Å; V277-Q280 PolarHBondContact O-N 3.5Å; Q280-H283 PolarHBondContact O-N 3.21Å; Q280-D284 WeakPolarHBondContact CG-OD2 3.48Å; Q280-D284 PolarHBondContact NE2-OD2 3.4Å; Q280-D284 VanDerWaalsContact O-CB 3.24Å; Q280-D284 WeakPolarHBondContact O-CB 3.48Å; Q280-D284 PolarHBondContact O-N 2.89Å
281L91.3Very high87.8Confident29 Ų2941.8 Ų41.815%0.15222%0.215CC..Hα-helixtrans-61.1-44.9174.8-74.2173.1000111.6I245 L248 Y254 V256 V277 A278 H283 V285 E286I245-L281 HydrophobicContact CG2-CD1 4.19Å; L248-L281 HydrophobicContact CD1-CB 4.05Å; Y254-L281 HydrophobicContact CE2-CD2 4.12Å; V256-L281 HydrophobicContact CG1-CD1 4.11Å; V256-L281 HydrophobicContact CG2-CD1 3.6Å; V277-L281 HydrophobicContact CG1-CD1 4.02Å; V277-L281 HydrophobicContact CG1-CG 4.36Å; V277-L281 WeakPolarHBondContact O-CB 3.45Å; V277-L281 VanDerWaalsContact O-CG 3.28Å; V277-L281 WeakPolarHBondContact O-CG 3.32Å; V277-L281 PolarHBondContact O-N 3.4Å; A278-L281 PolarHBondContact O-N 3.27Å; L281-H283 VanDerWaalsContact C-N 3.34Å; L281-H283 PolarHBondContact O-N 2.88Å; L281-V285 HydrophobicContact CD2-CG2 3.84Å; L281-V285 WeakPolarHBondContact O-CA 3.33Å; L281-V285 WeakPolarHBondContact O-CB 3.5Å; L281-V285 PolarHBondContact O-N 2.9Å; L281-E286 PolarHBondContact O-N 3.44Å
282A88.6Confident86.4Confident1 Ų144.3 Ų44.31%0.00822%0.224CC..Hα-helixtrans-59-44.3176.600000111.9L248 A278 F279 E286 G287 I288 L290L248-A282 HydrophobicContact CD1-CB 4.29Å; L248-A282 HydrophobicContact CD2-CB 4.16Å; A278-A282 WeakPolarHBondContact O-CB 3.4Å; A278-A282 PolarHBondContact O-N 3.4Å; F279-A282 PolarHBondContact O-N 3.39Å; A282-E286 CarbonylContact O-C 3.59Å; A282-E286 WeakPolarHBondContact O-CA 3.4Å; A282-E286 VanDerWaalsContact O-CB 3.32Å; A282-E286 WeakPolarHBondContact O-CB 3.49Å; A282-E286 PolarHBondContact O-N 3.39Å; A282-G287 PolarHBondContact O-N 2.92Å; A282-G287 VanDerWaalsContact O-N 3.1Å; A282-I288 HydrophobicContact CB-CB 4.29Å; A282-I288 WeakPolarHBondContact O-CB 3.21Å; A282-I288 PolarHBondContact O-N 2.89Å; A282-L290 HydrophobicContact CB-CD1 3.73Å
283H86.6Confident85.5Confident73 Ų7342.9 Ų42.934%0.33822%0.216SC..Hα-helixtrans-74.5-55.9-179.7-173.675.5000113S115 F279 Q280 L281 G287 I288S115-H283 WeakPolarHBondContact CB-O 3.3Å; S115-H283 PolarHBondContact OG-O 3.41Å; F279-H283 PolarHBondContact O-N 3.4Å; Q280-H283 PolarHBondContact O-N 3.21Å; L281-H283 VanDerWaalsContact C-N 3.34Å; L281-H283 PolarHBondContact O-N 2.88Å; H283-G287 VanDerWaalsContact O-CA 3.27Å; H283-G287 WeakPolarHBondContact O-CA 3.39Å; H283-G287 PolarHBondContact O-N 2.95Å; H283-I288 WeakPolarHBondContact CA-O 3.2Å
284D82.6Confident85Confident63 Ų6346.1 Ų46.134%0.33723%0.226SC..Hα-helixtrans-73.1-39.2-171.3-69.2-14000111.8V117 Q280V117-D284 VanDerWaalsContact CB-O 3.25Å; V117-D284 WeakPolarHBondContact CB-O 3.4Å; V117-D284 WeakPolarHBondContact CG2-O 3.32Å; Q280-D284 WeakPolarHBondContact CG-OD2 3.48Å; Q280-D284 PolarHBondContact NE2-OD2 3.4Å; Q280-D284 VanDerWaalsContact O-CB 3.24Å; Q280-D284 WeakPolarHBondContact O-CB 3.48Å; Q280-D284 PolarHBondContact O-N 2.89Å
285V80.4Confident84.7Confident45 Ų4546.8 Ų46.827%0.27323%0.23SC..THydrogen-bonded Turntrans-96.2-49.5-174.3-170.20000111.4V117 Y254 L281V117-V285 VanDerWaalsContact CG1-O 3.22Å; V117-V285 WeakPolarHBondContact CG1-O 3.33Å; Y254-V285 HydrophobicContact CD1-CG1 4.22Å; Y254-V285 HydrophobicContact CE1-CG1 3.77Å; L281-V285 HydrophobicContact CD2-CG2 3.84Å; L281-V285 WeakPolarHBondContact O-CA 3.33Å; L281-V285 WeakPolarHBondContact O-CB 3.5Å; L281-V285 PolarHBondContact O-N 2.9Å
286E78.8Confident84.6Confident15 Ų1549.7 Ų49.77%0.0724%0.244CC..THydrogen-bonded Turntrans-87.2-14.1-176.6-50.4-43.8135.100114L248 Y254 L281 A282 I288 Y317L248-E286 HydrophobicContact CD2-CG 3.86Å; Y254-E286 WeakPolarHBondContact CE1-OE1 3.47Å; Y254-E286 VanDerWaalsContact CZ-OE1 3.22Å; Y254-E286 PolarHBondContact OH-OE1 3.33Å; L281-E286 PolarHBondContact O-N 3.44Å; A282-E286 CarbonylContact O-C 3.59Å; A282-E286 WeakPolarHBondContact O-CA 3.4Å; A282-E286 VanDerWaalsContact O-CB 3.32Å; A282-E286 WeakPolarHBondContact O-CB 3.49Å; A282-E286 PolarHBondContact O-N 3.39Å; E286-I288 HydrophobicContact CB-CB 4.43Å; E286-I288 HydrophobicContact CB-CD1 3.61Å; E286-I288 HydrophobicContact CB-CG1 3.67Å; E286-I288 HydrophobicContact CG-CD1 4.18Å; E286-I288 PolarHBondContact O-N 2.78Å; E286-Y317 WeakPolarHBondContact CB-OH 3.29Å; E286-Y317 WeakPolarHBondContact CG-OH 3.35Å; E286-Y317 PolarHBondContact OE2-OH 2.89Å
287G76Confident84.5Confident8 Ų847.4 Ų47.48%0.08224%0.235CC..  trans6330.7-173.400000112.7R118 A282 H283R118-G287 PolarHBondContact NH1-O 3.38Å; A282-G287 PolarHBondContact O-N 2.92Å; A282-G287 VanDerWaalsContact O-N 3.1Å; H283-G287 VanDerWaalsContact O-CA 3.27Å; H283-G287 WeakPolarHBondContact O-CA 3.39Å; H283-G287 PolarHBondContact O-N 2.95Å
288I80.2Confident84.4Confident10 Ų1045.8 Ų45.85%0.05123%0.225CC..  trans-90.9118.6175.3-63.6171.9000107.7A282 H283 E286 L290 T312 L313 R316 Y317A282-I288 HydrophobicContact CB-CB 4.29Å; A282-I288 WeakPolarHBondContact O-CB 3.21Å; A282-I288 PolarHBondContact O-N 2.89Å; H283-I288 WeakPolarHBondContact CA-O 3.2Å; E286-I288 HydrophobicContact CB-CB 4.43Å; E286-I288 HydrophobicContact CB-CD1 3.61Å; E286-I288 HydrophobicContact CB-CG1 3.67Å; E286-I288 HydrophobicContact CG-CD1 4.18Å; E286-I288 PolarHBondContact O-N 2.78Å; I288-L290 HydrophobicContact CG2-CD2 3.82Å; I288-L290 HydrophobicContact CG2-CG 4.1Å; I288-T312 HydrophobicContact CG2-CG2 3.33Å; I288-L313 HydrophobicContact CD1-CD2 3.61Å; I288-R316 HydrophobicContact CD1-CG 4.22Å; I288-R316 HydrophobicContact CG1-CG 4.47Å; I288-Y317 HydrophobicContact CD1-CE2 4.22Å
289D74.4Confident84.5Confident90 Ų9047 Ų4748%0.48123%0.231SC..  trans-83.4133.9172.4-154.1-13.7000110.6E291D289-E291 WeakPolarHBondContact OD1-CG 3.24Å; D289-E291 PolarHBondContact OD1-N 3.49Å
290L75.6Confident84.5Confident18 Ų1854.7 Ų54.79%0.09426%0.259CS..  trans-123.329.4-175.2-65.4176.2000111.1F279 A282 I288 Y292 N293 L309 T312F279-L290 HydrophobicContact CB-CD1 4.32Å; F279-L290 HydrophobicContact CD1-CB 4.05Å; F279-L290 HydrophobicContact CD1-CD1 3.64Å; F279-L290 HydrophobicContact CD2-CD1 4.33Å; F279-L290 HydrophobicContact CE1-CB 4.13Å; F279-L290 HydrophobicContact CE1-CD1 3.97Å; F279-L290 HydrophobicContact CG-CD1 3.85Å; F279-L290 HydrophobicContact CZ-CD1 4.48Å; A282-L290 HydrophobicContact CB-CD1 3.73Å; I288-L290 HydrophobicContact CG2-CD2 3.82Å; I288-L290 HydrophobicContact CG2-CG 4.1Å; L290-Y292 PolarHBondContact O-N 2.87Å; L290-N293 PolarHBondContact O-N 2.81Å; L290-N293 VanDerWaalsContact O-O 3.1Å; L290-L309 HydrophobicContact CD1-CD1 3.51Å; L290-L309 HydrophobicContact CD2-CD1 3.46Å; L290-L309 VanDerWaalsContact CD2-CD1 3.46Å; L290-L309 HydrophobicContact CG-CD1 4.15Å; L290-T312 HydrophobicContact CD2-CG2 4.41Å
291E65.9Low84.6Confident135 Ų13552.3 Ų52.363%0.63125%0.248SC*.THydrogen-bonded Turntrans-46.4-38-175.2-60.8-161.9141.200113.6D289 N293D289-E291 WeakPolarHBondContact OD1-CG 3.24Å; D289-E291 PolarHBondContact OD1-N 3.49Å; E291-N293 PolarHBondContact O-N 2.9Å
292Y70.3Confident84.7Confident102 Ų10253.9 Ų53.940%0.426%0.256SS..THydrogen-bonded Turntrans-81.9-6.8-177.8-55.7-73.3000115.5E191 H194 L290E191-Y292 HydrophobicContact CG-CE2 4.46Å; E191-Y292 WeakPolarHBondContact CG-OH 3.24Å; E191-Y292 PolarHBondContact OE1-OH 3.42Å; H194-Y292 AromaticContact CD2-CD2 3.91Å; L290-Y292 PolarHBondContact O-N 2.87Å
293N78.5Confident84.8Confident7 Ų755.1 Ų55.14%0.03726%0.263CS..  trans-111.8134179.6-71.1-23.3000109.4F279 L290 E291 L309F279-N293 HydrophobicContact CE1-CB 3.62Å; F279-N293 WeakPolarHBondContact CE1-O 3.43Å; F279-N293 HydrophobicContact CZ-CB 3.81Å; L290-N293 PolarHBondContact O-N 2.81Å; L290-N293 VanDerWaalsContact O-O 3.1Å; E291-N293 PolarHBondContact O-N 2.9Å; N293-L309 PolarHBondContact ND2-N 2.92Å
294Q86.7Confident85Confident101 Ų10153.6 Ų53.647%0.47226%0.255SS..  trans-111.4134.1170-63.2-62.6-51.500107.7E296 N297Q294-E296 PolarHBondContact O-N 2.94Å; Q294-E296 VanDerWaalsContact O-N 3.1Å; Q294-N297 WeakPolarHBondContact O-CB 3.27Å; Q294-N297 PolarHBondContact O-N 3Å
295P92.5Very high85.4Confident13 Ų1350.7 Ų50.78%0.08424%0.24CC..Hα-helixtrans-48.9-36.7175.9-30.737.4000112.8L272 L275 Q276 F279 N297 V298 L299L272-P295 HydrophobicContact CD1-CB 3.74Å; L275-P295 HydrophobicContact CB-CB 3.84Å; L275-P295 WeakPolarHBondContact CD1-O 3.41Å; Q276-P295 HydrophobicContact CG-CB 4.26Å; Q276-P295 HydrophobicContact CG-CG 4.16Å; F279-P295 HydrophobicContact CD1-CG 3.96Å; F279-P295 HydrophobicContact CD2-CG 4.17Å; F279-P295 HydrophobicContact CE1-CG 4.16Å; F279-P295 HydrophobicContact CE2-CG 4.33Å; F279-P295 HydrophobicContact CG-CG 3.96Å; F279-P295 HydrophobicContact CZ-CG 4.33Å; P295-N297 VanDerWaalsContact C-N 3.26Å; P295-N297 PolarHBondContact O-N 3.42Å; P295-V298 PolarHBondContact O-N 2.96Å; P295-L299 PolarHBondContact O-N 3.42Å
296E94.3Very high86Confident62 Ų6248.6 Ų48.629%0.2923%0.227SC..Hα-helixtrans-62.2-29.5179.3-64.676.9-17200113.4L272 Q294 R300L272-E296 HydrophobicContact CD1-CG 4.02Å; Q294-E296 PolarHBondContact O-N 2.94Å; Q294-E296 VanDerWaalsContact O-N 3.1Å; E296-R300 WeakPolarHBondContact O-CB 3.22Å; E296-R300 WeakPolarHBondContact O-CD 3.5Å; E296-R300 WeakPolarHBondContact O-CG 3.25Å; E296-R300 PolarHBondContact O-N 3.27Å; E296-R300 VanDerWaalsContact O-N 3.16Å
297N93.7Very high86.7Confident48 Ų4847.9 Ų47.926%0.25722%0.224SC..Hα-helixtrans-72.5-43.1178-66.1-18.2000110.4Q294 P295 L299 R300 H301 D302 A305Q294-N297 WeakPolarHBondContact O-CB 3.27Å; Q294-N297 PolarHBondContact O-N 3Å; P295-N297 VanDerWaalsContact C-N 3.26Å; P295-N297 PolarHBondContact O-N 3.42Å; N297-L299 VanDerWaalsContact C-N 3.32Å; N297-L299 PolarHBondContact O-N 3.4Å; N297-R300 PolarHBondContact O-N 3.4Å; N297-R300 VanDerWaalsContact O-N 3.12Å; N297-H301 PolarHBondContact O-N 3.44Å; N297-D302 HydrophobicContact CB-CB 4Å; N297-D302 WeakPolarHBondContact O-CB 3.36Å; N297-D302 PolarHBondContact O-N 3.46Å; N297-A305 HydrophobicContact CB-CB 3.69Å
298V95.3Very high87.3Confident0 Ų049 Ų490%023%0.226CC..Hα-helixtrans-63.2-40.9175.8-177.30000110.7F244 L275 F279 P295 R300 H301 A305F244-V298 HydrophobicContact CE2-CG1 3.88Å; L275-V298 HydrophobicContact CD1-CB 4.13Å; L275-V298 HydrophobicContact CD1-CG1 4.26Å; L275-V298 HydrophobicContact CD2-CB 4.01Å; L275-V298 HydrophobicContact CD2-CG1 3.57Å; F279-V298 HydrophobicContact CE2-CG2 4.47Å; F279-V298 HydrophobicContact CZ-CG2 4.33Å; P295-V298 PolarHBondContact O-N 2.96Å; V298-R300 PolarHBondContact O-N 3.29Å; V298-H301 PolarHBondContact O-N 2.94Å; V298-H301 VanDerWaalsContact O-N 3.07Å; V298-A305 HydrophobicContact CG2-CB 3.93Å
299L96.4Very high87.8Confident27 Ų2748.8 Ų48.814%0.14122%0.224CC..Hα-helixtrans-58.9-34.7174.4178.964.1000112.8D268 K271 L272 L275 P295 N297 H301D268-L299 HydrophobicContact CB-CD1 4.47Å; D268-L299 HydrophobicContact CB-CD2 4.32Å; K271-L299 HydrophobicContact CB-CD1 3.46Å; K271-L299 VanDerWaalsContact CB-CD1 3.46Å; K271-L299 HydrophobicContact CD-CD1 3.8Å; K271-L299 HydrophobicContact CG-CD1 4.31Å; L272-L299 HydrophobicContact CB-CD2 4.05Å; L272-L299 HydrophobicContact CD1-CD2 4.28Å; L275-L299 HydrophobicContact CD1-CB 3.79Å; P295-L299 PolarHBondContact O-N 3.42Å; N297-L299 VanDerWaalsContact C-N 3.32Å; N297-L299 PolarHBondContact O-N 3.4Å; L299-H301 PolarHBondContact O-N 2.95Å
300R95.2Very high88.7Confident186 Ų18644.5 Ų44.570%0.70220%0.202SC*.THydrogen-bonded Turntrans-83.212.3179.2-72.2172.5-176.1167.74.7113.4E296 N297 V298 D302E296-R300 WeakPolarHBondContact O-CB 3.22Å; E296-R300 WeakPolarHBondContact O-CD 3.5Å; E296-R300 WeakPolarHBondContact O-CG 3.25Å; E296-R300 PolarHBondContact O-N 3.27Å; E296-R300 VanDerWaalsContact O-N 3.16Å; N297-R300 PolarHBondContact O-N 3.4Å; N297-R300 VanDerWaalsContact O-N 3.12Å; V298-R300 PolarHBondContact O-N 3.29Å; R300-D302 PolarHBondContact O-N 3.42Å
301H94.3Very high89.4Confident65 Ų6545.8 Ų45.830%0.30121%0.206SC..THydrogen-bonded Turntrans6134-176.8-55.7-76.1000112.4E235 N236 S239 N297 V298 L299 L303E235-H301 HydrophobicContact CG-CB 3.96Å; E235-H301 WeakPolarHBondContact CG-O 3.46Å; E235-H301 PolarHBondContact O-ND1 3.34Å; E235-H301 VanDerWaalsContact O-ND1 3.15Å; N236-H301 PolarHBondContact OD1-ND1 2.87Å; S239-H301 WeakPolarHBondContact CB-CE1 3.46Å; S239-H301 WeakPolarHBondContact CB-ND1 3.49Å; S239-H301 PolarHBondContact OG-CE1 3.24Å; S239-H301 PolarHBondContact OG-ND1 3.31Å; N297-H301 PolarHBondContact O-N 3.44Å; V298-H301 PolarHBondContact O-N 2.94Å; V298-H301 VanDerWaalsContact O-N 3.07Å; L299-H301 PolarHBondContact O-N 2.95Å; H301-L303 PolarHBondContact O-N 3.21Å
302D92.9Very high90.4Very high62 Ų6240.2 Ų40.233%0.33218%0.181SC..  trans-70.5104.5171.5-174.2-16.1000109.4N297 R300 K304 A305 T306N297-D302 HydrophobicContact CB-CB 4Å; N297-D302 WeakPolarHBondContact O-CB 3.36Å; N297-D302 PolarHBondContact O-N 3.46Å; R300-D302 PolarHBondContact O-N 3.42Å; D302-K304 PolarHBondContact O-N 3.15Å; D302-K304 WeakPolarHBondContact OD1-CA 3.26Å; D302-K304 WeakPolarHBondContact OD1-CB 3.31Å; D302-K304 PolarHBondContact OD1-N 2.83Å; D302-A305 HydrophobicContact CB-CB 3.93Å; D302-A305 PolarHBondContact O-N 2.98Å; D302-A305 PolarHBondContact OD1-N 3.22Å; D302-T306 PolarHBondContact O-N 2.71Å; D302-T306 PolarHBondContact O-OG1 3.23Å
303L91.3Very high91.4Very high27 Ų2735.4 Ų35.414%0.14116%0.162CC..Hα-helixtrans-54.7-38.7176.5179.565.4000111.4L209 E235 H301 T306 L307L209-L303 HydrophobicContact CD2-CD2 4.4Å; E235-L303 HydrophobicContact CB-CD1 4.13Å; E235-L303 HydrophobicContact CG-CB 4.33Å; H301-L303 PolarHBondContact O-N 3.21Å; L303-T306 PolarHBondContact O-N 3.47Å; L303-L307 HydrophobicContact CD1-CD1 3.86Å; L303-L307 HydrophobicContact CD1-CD2 4.23Å; L303-L307 HydrophobicContact CD1-CG 3.84Å; L303-L307 HydrophobicContact CD2-CD1 4.32Å; L303-L307 HydrophobicContact CG-CD1 3.76Å; L303-L307 HydrophobicContact CG-CG 4.11Å; L303-L307 WeakPolarHBondContact O-CB 3.49Å; L303-L307 WeakPolarHBondContact O-CG 3.48Å; L303-L307 PolarHBondContact O-N 3.19Å
304K89.7Confident91.9Very high41 Ų4139 Ų3918%0.17818%0.176CC..Hα-helixtrans-66.8-44.6-178.8-174.9172.6175.1164.30111.1S198 D202 D302 T306 L307 R308S198-K304 WeakPolarHBondContact OG-CE 3.47Å; S198-K304 PolarHBondContact OG-NZ 2.99Å; D202-K304 IonicContact OD2-NZ 3.87Å; D202-K304 PolarHBondContact OD2-NZ 3.42Å; D302-K304 PolarHBondContact O-N 3.15Å; D302-K304 WeakPolarHBondContact OD1-CA 3.26Å; D302-K304 WeakPolarHBondContact OD1-CB 3.31Å; D302-K304 PolarHBondContact OD1-N 2.83Å; K304-T306 VanDerWaalsContact C-N 3.33Å; K304-T306 PolarHBondContact O-N 3.05Å; K304-L307 PolarHBondContact O-N 2.92Å; K304-R308 VanDerWaalsContact CE-NH2 3.33Å; K304-R308 WeakPolarHBondContact O-CB 3.22Å; K304-R308 WeakPolarHBondContact O-CG 3.2Å; K304-R308 PolarHBondContact O-N 2.95Å
305A90.9Very high91.8Very high3 Ų337.7 Ų37.73%0.02517%0.174CC..Hα-helixtrans-62-43.3175.100000111.5N297 V298 D302 R308 L309N297-A305 HydrophobicContact CB-CB 3.69Å; V298-A305 HydrophobicContact CG2-CB 3.93Å; D302-A305 HydrophobicContact CB-CB 3.93Å; D302-A305 PolarHBondContact O-N 2.98Å; D302-A305 PolarHBondContact OD1-N 3.22Å; A305-R308 PolarHBondContact O-N 3.36Å; A305-L309 WeakPolarHBondContact O-CB 3.29Å; A305-L309 PolarHBondContact O-N 2.97Å
306T94Very high91.2Very high0 Ų042.6 Ų42.60%019%0.191CC..Hα-helixtrans-63.1-48.1178.7-55.80000111.6L234 M238 F244 D302 L303 K304 L309 L310L234-T306 WeakPolarHBondContact O-CG2 3.4Å; M238-T306 HydrophobicContact CB-CG2 4.26Å; F244-T306 HydrophobicContact CZ-CG2 4.18Å; D302-T306 PolarHBondContact O-N 2.71Å; D302-T306 PolarHBondContact O-OG1 3.23Å; L303-T306 PolarHBondContact O-N 3.47Å; K304-T306 VanDerWaalsContact C-N 3.33Å; K304-T306 PolarHBondContact O-N 3.05Å; T306-L309 PolarHBondContact O-N 3.42Å; T306-L310 HydrophobicContact CG2-CD1 4.07Å; T306-L310 WeakPolarHBondContact O-CB 3.37Å; T306-L310 WeakPolarHBondContact O-CG 3.48Å; T306-L310 PolarHBondContact O-N 3.1Å
307L92.1Very high90.6Very high0 Ų040.5 Ų40.50%018%0.181CC..Hα-helixtrans-68-36.4179.6-66.7178000112.3I197 V201 L209 F212 Q213 L216 L234 L303 K304 L310 Y311I197-L307 HydrophobicContact CG2-CB 4.39Å; V201-L307 HydrophobicContact CG2-CD1 4.16Å; L209-L307 HydrophobicContact CD1-CD1 3.86Å; F212-L307 HydrophobicContact CD1-CD1 4.37Å; F212-L307 HydrophobicContact CE1-CB 4.28Å; F212-L307 HydrophobicContact CE1-CD1 4.47Å; Q213-L307 HydrophobicContact CG-CD1 4.15Å; Q213-L307 HydrophobicContact CG-CD2 3.9Å; L216-L307 HydrophobicContact CD1-CB 4.38Å; L216-L307 HydrophobicContact CD1-CD2 3.78Å; L234-L307 HydrophobicContact CD1-CD2 4.09Å; L303-L307 HydrophobicContact CD1-CD1 3.86Å; L303-L307 HydrophobicContact CD1-CD2 4.23Å; L303-L307 HydrophobicContact CD1-CG 3.84Å; L303-L307 HydrophobicContact CD2-CD1 4.32Å; L303-L307 HydrophobicContact CG-CD1 3.76Å; L303-L307 HydrophobicContact CG-CG 4.11Å; L303-L307 WeakPolarHBondContact O-CB 3.49Å; L303-L307 WeakPolarHBondContact O-CG 3.48Å; L303-L307 PolarHBondContact O-N 3.19Å; K304-L307 PolarHBondContact O-N 2.92Å; L307-L310 PolarHBondContact O-N 2.75Å; L307-Y311 WeakPolarHBondContact O-CB 3.47Å; L307-Y311 PolarHBondContact O-N 3.2Å
308R88.9Confident89.4Confident32 Ų3239 Ų3912%0.12118%0.177CC..Hα-helixtrans-61-51173.5-76.9172.3171.9-172.5-10.7111H194 I197 S198 K304 A305 L310 Y311 T312H194-R308 PolarHBondContact O-NE 2.93Å; H194-R308 PolarHBondContact O-NH2 3.35Å; H194-R308 VanDerWaalsContact O-NH2 3.14Å; I197-R308 HydrophobicContact CB-CG 4.47Å; I197-R308 HydrophobicContact CD1-CG 4.28Å; I197-R308 HydrophobicContact CG2-CG 4.02Å; S198-R308 PolarHBondContact OG-NH2 3.48Å; K304-R308 VanDerWaalsContact CE-NH2 3.33Å; K304-R308 WeakPolarHBondContact O-CB 3.22Å; K304-R308 WeakPolarHBondContact O-CG 3.2Å; K304-R308 PolarHBondContact O-N 2.95Å; A305-R308 PolarHBondContact O-N 3.36Å; R308-L310 VanDerWaalsContact C-N 3.34Å; R308-L310 PolarHBondContact O-N 2.96Å; R308-Y311 PolarHBondContact O-N 2.75Å; R308-T312 PolarHBondContact O-N 3.31Å; R308-T312 PolarHBondContact O-OG1 3.48Å
309L90.5Very high87.5Confident5 Ų547.3 Ų47.33%0.02622%0.221CC..Hα-helixtrans-59.5-45.7179.1-177.557.1000111.5F244 F279 L290 N293 A305 T306 T312 L313F244-L309 HydrophobicContact CD1-CD2 3.62Å; F244-L309 HydrophobicContact CD1-CG 4Å; F244-L309 HydrophobicContact CD2-CD2 4.14Å; F244-L309 HydrophobicContact CE1-CB 4.12Å; F244-L309 HydrophobicContact CE1-CD2 3.34Å; F244-L309 HydrophobicContact CE1-CG 3.49Å; F244-L309 VanDerWaalsContact CE1-CG 3.49Å; F244-L309 HydrophobicContact CE2-CD2 3.88Å; F244-L309 HydrophobicContact CG-CD2 4.02Å; F244-L309 HydrophobicContact CZ-CB 4.21Å; F244-L309 HydrophobicContact CZ-CD2 3.5Å; F244-L309 VanDerWaalsContact CZ-CD2 3.5Å; F244-L309 HydrophobicContact CZ-CG 3.94Å; F279-L309 HydrophobicContact CD2-CD2 4.43Å; F279-L309 HydrophobicContact CE2-CD2 3.67Å; F279-L309 HydrophobicContact CZ-CD2 4.13Å; L290-L309 HydrophobicContact CD1-CD1 3.51Å; L290-L309 HydrophobicContact CD2-CD1 3.46Å; L290-L309 VanDerWaalsContact CD2-CD1 3.46Å; L290-L309 HydrophobicContact CG-CD1 4.15Å; N293-L309 PolarHBondContact ND2-N 2.92Å; A305-L309 WeakPolarHBondContact O-CB 3.29Å; A305-L309 PolarHBondContact O-N 2.97Å; T306-L309 PolarHBondContact O-N 3.42Å; L309-T312 PolarHBondContact O-N 2.97Å; L309-L313 WeakPolarHBondContact O-CG 3.43Å; L309-L313 PolarHBondContact O-N 2.89Å; L309-L313 VanDerWaalsContact O-N 3.13Å
310L93.1Very high84.9Confident0 Ų053.1 Ų53.10%025%0.251CS..Hα-helixtrans-65.7-37.8177-74.3176.5000113.2L216 V220 L234 M238 F244 L247 T306 L307 R308 L313 Y314L216-L310 HydrophobicContact CD1-CB 4.05Å; V220-L310 HydrophobicContact CG2-CD1 4.21Å; V220-L310 HydrophobicContact CG2-CD2 3.4Å; V220-L310 VanDerWaalsContact CG2-CD2 3.4Å; V220-L310 HydrophobicContact CG2-CG 4.4Å; L234-L310 HydrophobicContact CB-CD1 4.29Å; L234-L310 HydrophobicContact CD1-CD1 3.92Å; L234-L310 HydrophobicContact CD2-CD1 3.75Å; L234-L310 HydrophobicContact CG-CD1 4.21Å; M238-L310 HydrophobicContact CE-CD2 3.89Å; F244-L310 HydrophobicContact CD1-CD2 4.47Å; F244-L310 HydrophobicContact CE1-CD2 3.61Å; F244-L310 HydrophobicContact CE1-CG 3.87Å; F244-L310 HydrophobicContact CZ-CD2 4.17Å; F244-L310 HydrophobicContact CZ-CG 4.04Å; L247-L310 HydrophobicContact CD2-CD2 3.97Å; T306-L310 HydrophobicContact CG2-CD1 4.07Å; T306-L310 WeakPolarHBondContact O-CB 3.37Å; T306-L310 WeakPolarHBondContact O-CG 3.48Å; T306-L310 PolarHBondContact O-N 3.1Å; L307-L310 PolarHBondContact O-N 2.75Å; R308-L310 VanDerWaalsContact C-N 3.34Å; R308-L310 PolarHBondContact O-N 2.96Å; L310-L313 PolarHBondContact O-N 3.21Å; L310-Y314 WeakPolarHBondContact O-CB 3.11Å; L310-Y314 PolarHBondContact O-N 3.23Å
311Y90.2Very high84.4Confident46 Ų4646.5 Ų46.518%0.1823%0.228CC..Hα-helixtrans-67.5-41.6176.7-177.6-107.3000111.2D193 I197 F212 L216 L307 R308 L313 Y314 T315D193-Y311 HydrophobicContact CB-CE1 3.83Å; D193-Y311 WeakPolarHBondContact OD2-CE1 3.32Å; D193-Y311 PolarHBondContact OD2-OH 2.98Å; I197-Y311 HydrophobicContact CD1-CD1 3.55Å; I197-Y311 HydrophobicContact CD1-CE1 4.24Å; I197-Y311 HydrophobicContact CD1-CG 3.75Å; F212-Y311 AromaticContact CE2-CD2 3.66Å; F212-Y311 HydrophobicContact CE2-CD2 3.66Å; F212-Y311 AromaticContact CE2-CE2 3.97Å; F212-Y311 HydrophobicContact CE2-CE2 3.97Å; F212-Y311 HydrophobicContact CE2-CG 4.49Å; F212-Y311 AromaticContact CZ-CD2 3.59Å; F212-Y311 HydrophobicContact CZ-CD2 3.59Å; F212-Y311 HydrophobicContact CZ-CE2 4.25Å; F212-Y311 AromaticContact CZ-CG 3.98Å; F212-Y311 HydrophobicContact CZ-CG 3.98Å; L216-Y311 HydrophobicContact CD2-CD2 4.41Å; L307-Y311 WeakPolarHBondContact O-CB 3.47Å; L307-Y311 PolarHBondContact O-N 3.2Å; R308-Y311 PolarHBondContact O-N 2.75Å; Y311-L313 VanDerWaalsContact C-N 3.27Å; Y311-L313 PolarHBondContact O-N 3.43Å; Y311-Y314 HydrophobicContact CD2-CD1 4.21Å; Y311-Y314 HydrophobicContact CE2-CD1 4.27Å; Y311-Y314 CarbonylContact O-C 3.54Å; Y311-Y314 WeakPolarHBondContact O-CA 3.28Å; Y311-Y314 WeakPolarHBondContact O-CB 3.01Å; Y311-Y314 PolarHBondContact O-N 2.61Å; Y311-T315 HydrophobicContact CD1-CG2 3.97Å; Y311-T315 HydrophobicContact CD2-CG2 4.2Å; Y311-T315 HydrophobicContact CE1-CG2 3.55Å; Y311-T315 HydrophobicContact CE2-CG2 3.78Å; Y311-T315 HydrophobicContact CG-CG2 4.31Å; Y311-T315 VanDerWaalsContact CZ-CG2 3.45Å; Y311-T315 WeakPolarHBondContact O-CG2 3.41Å; Y311-T315 PolarHBondContact O-N 3.21Å; Y311-T315 PolarHBondContact O-OG1 3.47Å
312T88Confident83.8Confident17 Ų1745.5 Ų45.510%0.10423%0.225CC..Hα-helixtrans-59.3-39173.9-52.90000111.7H194 I288 L290 R308 L309 T315 R316H194-T312 PolarHBondContact CE1-OG1 3.25Å; I288-T312 HydrophobicContact CG2-CG2 3.33Å; L290-T312 HydrophobicContact CD2-CG2 4.41Å; R308-T312 PolarHBondContact O-N 3.31Å; R308-T312 PolarHBondContact O-OG1 3.48Å; L309-T312 PolarHBondContact O-N 2.97Å; T312-T315 PolarHBondContact O-OG1 2.9Å; T312-T315 VanDerWaalsContact O-OG1 3.07Å; T312-R316 VanDerWaalsContact O-CB 3.27Å; T312-R316 WeakPolarHBondContact O-CB 3.39Å; T312-R316 PolarHBondContact O-N 3.35Å
313L90.3Very high83.3Confident1 Ų144.6 Ų44.61%0.00522%0.219CC..Hα-helixtrans-69.5-39.6172.5-63.7175.5000111.9F219 F244 L247 L248 L251 I288 L309 L310 Y311 R316 Y317F219-L313 HydrophobicContact CE1-CB 4.1Å; F219-L313 HydrophobicContact CZ-CB 4.39Å; F244-L313 HydrophobicContact CD1-CD1 4.32Å; F244-L313 HydrophobicContact CE1-CD1 4.5Å; L247-L313 HydrophobicContact CD2-CD1 3.9Å; L247-L313 HydrophobicContact CG-CD1 4.47Å; L248-L313 HydrophobicContact CD2-CD2 3.66Å; L251-L313 HydrophobicContact CD1-CB 4.17Å; L251-L313 HydrophobicContact CD1-CD1 4.45Å; L251-L313 HydrophobicContact CD1-CD2 4.36Å; I288-L313 HydrophobicContact CD1-CD2 3.61Å; L309-L313 WeakPolarHBondContact O-CG 3.43Å; L309-L313 PolarHBondContact O-N 2.89Å; L309-L313 VanDerWaalsContact O-N 3.13Å; L310-L313 PolarHBondContact O-N 3.21Å; Y311-L313 VanDerWaalsContact C-N 3.27Å; Y311-L313 PolarHBondContact O-N 3.43Å; L313-R316 PolarHBondContact O-N 3.06Å; L313-Y317 HydrophobicContact CD2-CE2 4.22Å; L313-Y317 VanDerWaalsContact O-CD2 3.3Å; L313-Y317 WeakPolarHBondContact O-CD2 3.36Å; L313-Y317 PolarHBondContact O-N 3.33Å
314Y90.4Very high82.9Confident84 Ų8445.6 Ų45.633%0.32922%0.223SC..Hα-helixtrans-64.1-43.9177.6174-94.7000112.2T215 L216 F219 L310 Y311 R316 G318T215-Y314 HydrophobicContact CG2-CE2 4.08Å; L216-Y314 HydrophobicContact CD2-CD1 4.44Å; L216-Y314 HydrophobicContact CD2-CD2 4.34Å; L216-Y314 HydrophobicContact CD2-CG 3.87Å; F219-Y314 HydrophobicContact CB-CD2 3.76Å; F219-Y314 HydrophobicContact CB-CE2 4.31Å; F219-Y314 HydrophobicContact CD1-CD2 4.28Å; F219-Y314 AromaticContact CD2-CD2 3.9Å; F219-Y314 HydrophobicContact CD2-CD2 3.9Å; F219-Y314 AromaticContact CG-CD2 3.72Å; F219-Y314 HydrophobicContact CG-CD2 3.72Å; L310-Y314 WeakPolarHBondContact O-CB 3.11Å; L310-Y314 PolarHBondContact O-N 3.23Å; Y311-Y314 HydrophobicContact CD2-CD1 4.21Å; Y311-Y314 HydrophobicContact CE2-CD1 4.27Å; Y311-Y314 CarbonylContact O-C 3.54Å; Y311-Y314 WeakPolarHBondContact O-CA 3.28Å; Y311-Y314 WeakPolarHBondContact O-CB 3.01Å; Y311-Y314 PolarHBondContact O-N 2.61Å; Y314-R316 VanDerWaalsContact C-N 3.27Å; Y314-R316 PolarHBondContact O-N 2.76Å; Y314-G318 WeakPolarHBondContact O-CA 3.37Å; Y314-G318 PolarHBondContact O-N 2.92Å
315T83.9Confident82.4Confident72 Ų7245.9 Ų45.944%0.44223%0.226SC..Hα-helixtrans-67-33.7177.153.90000111.3Y311 T312Y311-T315 HydrophobicContact CD1-CG2 3.97Å; Y311-T315 HydrophobicContact CD2-CG2 4.2Å; Y311-T315 HydrophobicContact CE1-CG2 3.55Å; Y311-T315 HydrophobicContact CE2-CG2 3.78Å; Y311-T315 HydrophobicContact CG-CG2 4.31Å; Y311-T315 VanDerWaalsContact CZ-CG2 3.45Å; Y311-T315 WeakPolarHBondContact O-CG2 3.41Å; Y311-T315 PolarHBondContact O-N 3.21Å; Y311-T315 PolarHBondContact O-OG1 3.47Å; T312-T315 PolarHBondContact O-OG1 2.9Å; T312-T315 VanDerWaalsContact O-OG1 3.07Å
316R79.4Confident81.9Confident117 Ų11748.8 Ų48.844%0.44224%0.239SC..Hα-helixtrans-73-39179.1-173.964.1169.7140.10.8114.2I288 T312 L313 Y314I288-R316 HydrophobicContact CD1-CG 4.22Å; I288-R316 HydrophobicContact CG1-CG 4.47Å; T312-R316 VanDerWaalsContact O-CB 3.27Å; T312-R316 WeakPolarHBondContact O-CB 3.39Å; T312-R316 PolarHBondContact O-N 3.35Å; L313-R316 PolarHBondContact O-N 3.06Å; Y314-R316 VanDerWaalsContact C-N 3.27Å; Y314-R316 PolarHBondContact O-N 2.76Å
317Y83.2Confident81Confident18 Ų1852.3 Ų52.37%0.07126%0.256CS..Hα-helixtrans-123.72-172.2-57.1-87.9000114.4L251 E286 I288 L313 D319 I320L251-Y317 HydrophobicContact CB-CD1 3.93Å; L251-Y317 HydrophobicContact CB-CD2 3.97Å; L251-Y317 HydrophobicContact CB-CE1 4.01Å; L251-Y317 HydrophobicContact CB-CE2 4.07Å; L251-Y317 HydrophobicContact CB-CG 3.94Å; L251-Y317 HydrophobicContact CD1-CD2 3.72Å; L251-Y317 HydrophobicContact CD1-CE2 4.17Å; L251-Y317 HydrophobicContact CD1-CG 4.21Å; L251-Y317 HydrophobicContact CD2-CD1 4.41Å; L251-Y317 HydrophobicContact CD2-CD2 4.27Å; L251-Y317 HydrophobicContact CD2-CG 3.9Å; L251-Y317 HydrophobicContact CG-CD2 4.2Å; L251-Y317 HydrophobicContact CG-CG 4.23Å; E286-Y317 WeakPolarHBondContact CB-OH 3.29Å; E286-Y317 WeakPolarHBondContact CG-OH 3.35Å; E286-Y317 PolarHBondContact OE2-OH 2.89Å; I288-Y317 HydrophobicContact CD1-CE2 4.22Å; L313-Y317 HydrophobicContact CD2-CE2 4.22Å; L313-Y317 VanDerWaalsContact O-CD2 3.3Å; L313-Y317 WeakPolarHBondContact O-CD2 3.36Å; L313-Y317 PolarHBondContact O-N 3.33Å; Y317-D319 PolarHBondContact O-N 2.82Å; Y317-I320 HydrophobicContact CD1-CD1 4.02Å; Y317-I320 WeakPolarHBondContact O-CB 3.41Å; Y317-I320 PolarHBondContact O-N 2.76Å
318G66.7Low80.1Confident17 Ų1756.3 Ų56.318%0.17528%0.276CS..THydrogen-bonded Turntrans-59.7-34.5-171.900000113.2R222 Y314 I320R222-G318 PolarHBondContact NH2-O 3.2Å; Y314-G318 WeakPolarHBondContact O-CA 3.37Å; Y314-G318 PolarHBondContact O-N 2.92Å; G318-I320 PolarHBondContact O-N 3.48Å
319D55.5Low79.4Confident174 Ų17458.3 Ų58.393%0.9329%0.289SS*.THydrogen-bonded Turntrans-73.6-4.3178.6-70.7-23.4000114.6Y317Y317-D319 PolarHBondContact O-N 2.82Å
320I41.8Very low78.4Confident149 Ų14963.2 Ų63.276%0.76431%0.313SS*.  trans-98.30175.8-50.2178000109.8R222 Y317 G318R222-I320 PolarHBondContact NH1-OXT 3.03Å; R222-I320 PolarHBondContact NH2-OXT 3.44Å; Y317-I320 HydrophobicContact CD1-CD1 4.02Å; Y317-I320 WeakPolarHBondContact O-CB 3.41Å; Y317-I320 PolarHBondContact O-N 2.76Å; G318-I320 PolarHBondContact O-N 3.48Å

Retrieved 320 of 320 residues in 341.3 ms (Link to these results)