A0A087WX59_HUMAN Loading...

ADRM1 26S proteasome ubiquitin receptor

AlphaFold DB , UniProt , Accession A0A087WX59, Species HUMAN (Homo sapiens, Human), Gene ADRM1, Length 368 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M44.7Very low56.9Low246 Ų246137.3 Ų137.3100%1.21282%0.82SS**  079.90-70.4163.815600107.7
2T50.3Low57.4Low136 Ų136137 Ų13783%0.83482%0.819SS**  trans-91.4130.3171.943.40000107S4T2-S4 PolarHBondContact O-N 3.32Å
3T57.5Low57.5Low141 Ų141135.9 Ų135.987%0.86582%0.818SS**  trans-69.4107.3-164.777.50000110.3G5T3-G5 PolarHBondContact O-N 3.45Å
4S60.2Low57.4Low135 Ų135131.1 Ų131.194%0.94481%0.81SS**  trans-8196.3159-81.50000107.9T2T2-S4 PolarHBondContact O-N 3.32Å
5G54.6Low57Low48 Ų48129 Ų12950%0.49580%0.802SS.*  trans-140.2129.5167.800000106.9T3 L7T3-G5 PolarHBondContact O-N 3.45Å; G5-L7 PolarHBondContact O-N 2.99Å
6A59.4Low56.8Low89 Ų89136.6 Ų136.674%0.73681%0.811SS**  trans-43110.9-172.200000112.6F8A6-F8 HydrophobicContact CB-CE2 4.44Å; A6-F8 PolarHBondContact O-N 2.92Å
7L58.4Low55.9Low170 Ų170131.6 Ų131.689%0.8980%0.796SS**  trans-75.689174.8-65.6172.2000108.2G5G5-L7 PolarHBondContact O-N 2.99Å
8F67.5Low55.6Low181 Ų181129.9 Ų129.979%0.79480%0.797SS**  trans-62.1135.7156.8-69.6-82.8000107.7A6 S10A6-F8 HydrophobicContact CB-CE2 4.44Å; A6-F8 PolarHBondContact O-N 2.92Å; F8-S10 PolarHBondContact O-N 3.09Å
9P60.8Low55.4Low99 Ų99127.6 Ų127.664%0.64379%0.787SS**  trans-66.8125.4-179.231.2-36.1000108.5L11P9-L11 HydrophobicContact CB-CD1 3.54Å; P9-L11 HydrophobicContact CG-CD1 3.92Å; P9-L11 PolarHBondContact O-N 3.49Å
10S56Low55.7Low126 Ų126128.9 Ų128.988%0.88179%0.789SS**  trans-66.868.7170175.70000109.5F8F8-S10 PolarHBondContact O-N 3.09Å
11L56.2Low56.4Low139 Ų139129.3 Ų129.373%0.72878%0.78SS**  trans-81.3118.1168.4-9674.5000107.9P9P9-L11 HydrophobicContact CB-CD1 3.54Å; P9-L11 HydrophobicContact CG-CD1 3.92Å; P9-L11 PolarHBondContact O-N 3.49Å
12V63.3Low57.9Low134 Ų134119.5 Ų119.581%0.81273%0.73SS**  trans-50.9124.4163.7-99.30000108.6G14V12-G14 PolarHBondContact O-N 3.04Å
13P58.7Low59.1Low123 Ų123114.9 Ų114.980%0.79970%0.7SS**  trans-63.8114.417824.7-31000108.4S15P13-S15 PolarHBondContact O-N 2.92Å; P13-S15 VanDerWaalsContact O-N 3.11Å
14G56.3Low60.2Low69 Ų69108.5 Ų108.571%0.71166%0.66SS**  trans-65111.1174.300000109.4V12 R16V12-G14 PolarHBondContact O-N 3.04Å; G14-R16 PolarHBondContact O-N 3.28Å
15S51.7Low61.3Low99 Ų99106.9 Ų106.969%0.69264%0.638SS**  trans-68.4100.4173.6-169.20000109.1P13P13-S15 PolarHBondContact O-N 2.92Å; P13-S15 VanDerWaalsContact O-N 3.11Å
16R52.9Low62.3Low250 Ų250106.4 Ų106.494%0.94362%0.622SS**  trans-105.326167.5-72.8-176.7170.7165.5-2.7111.4G14G14-R16 PolarHBondContact O-N 3.28Å
17G41.9Very low63.3Low53 Ų53104.7 Ų104.755%0.54660%0.597SS.*SBendtrans-90.6102.2174.300000110.1S19G17-S19 PolarHBondContact O-N 2.96Å
18A49.8Very low64.2Low100 Ų10098 Ų9883%0.82657%0.566SS**SBendtrans3130.7161.100000118.9N20A18-N20 PolarHBondContact O-N 3.29Å; A18-N20 VanDerWaalsContact O-N 3.12Å
19S52.3Low64.9Low87 Ų8792 Ų9261%0.60856%0.555SS**  trans-86.586.5178.360.30000107G17 K21G17-S19 PolarHBondContact O-N 2.96Å; S19-K21 PolarHBondContact O-N 3.2Å
20N61.3Low65.8Low152 Ų15291.5 Ų91.581%0.81354%0.543SS*.  trans-55.9110.9170.4-73.9-53.1000108.1A18 Y22A18-N20 PolarHBondContact O-N 3.29Å; A18-N20 VanDerWaalsContact O-N 3.12Å; N20-Y22 PolarHBondContact O-N 3.29Å
21K70.8Confident66.9Low138 Ų13892.3 Ų92.360%0.653%0.534SS*.SBendtrans-65.5-24.8-177.4-174.5179.4177.2-170.20112.1S19 Q50S19-K21 PolarHBondContact O-N 3.2Å; K21-Q50 PolarHBondContact O-NE2 3.09Å
22Y77.1Confident67.7Low41 Ų4188.1 Ų88.116%0.16152%0.517CS..  trans-128.1140.7-175.4-50.8-55000109.1N20 E25 Y48 I49 Q50N20-Y22 PolarHBondContact O-N 3.29Å; Y22-E25 VanDerWaalsContact CD2-OE2 3.24Å; Y22-E25 WeakPolarHBondContact CD2-OE2 3.27Å; Y22-Y48 AromaticContact CD1-CD2 3.32Å; Y22-Y48 HydrophobicContact CD1-CD2 3.32Å; Y22-Y48 AromaticContact CD1-CE2 3.96Å; Y22-Y48 HydrophobicContact CD1-CE2 3.96Å; Y22-Y48 HydrophobicContact CD1-CG 4.02Å; Y22-Y48 AromaticContact CE1-CD2 3.29Å; Y22-Y48 HydrophobicContact CE1-CD2 3.29Å; Y22-Y48 AromaticContact CE1-CE2 3.48Å; Y22-Y48 HydrophobicContact CE1-CE2 3.48Å; Y22-Y48 VanDerWaalsContact CE1-CE2 3.48Å; Y22-Y48 HydrophobicContact CE1-CG 4.04Å; Y22-Y48 HydrophobicContact CG-CD2 4.04Å; Y22-Y48 HydrophobicContact CG-CG 4.33Å; Y22-I49 CarbonylContact C-O 3.5Å; Y22-I49 WeakPolarHBondContact CA-O 3.12Å; Y22-Q50 HydrophobicContact CD1-CB 4.12Å; Y22-Q50 HydrophobicContact CD1-CG 4.5Å
23L75.5Confident68Low39 Ų3985.4 Ų85.420%0.20450%0.497CS..SBendtrans-73.3-40.3177.6-77.172.5000110.5I49 Q51 I57 Y88 P93L23-I49 PolarHBondContact N-O 3.43Å; L23-Q51 HydrophobicContact CD1-CB 3.58Å; L23-Q51 HydrophobicContact CD2-CB 4.31Å; L23-I57 HydrophobicContact CD2-CD1 3.81Å; L23-Y88 HydrophobicContact CB-CE2 4.18Å; L23-Y88 HydrophobicContact CD2-CD1 3.85Å; L23-Y88 HydrophobicContact CD2-CE1 3.75Å; L23-Y88 HydrophobicContact CD2-CG 4.42Å; L23-P93 HydrophobicContact CD2-CG 3.78Å
24V79.7Confident68.6Low7 Ų786.2 Ų86.24%0.04249%0.488CS..EExtended strand (participates in β ladder)trans-141136.5173.8-169.10000107.6F26 Y48 I49 K84 V85 Y88V24-F26 HydrophobicContact CG1-CD1 4.09Å; V24-Y48 CarbonylContact O-C 3.47Å; V24-Y48 VanDerWaalsContact O-CA 3.24Å; V24-Y48 WeakPolarHBondContact O-CA 3.35Å; V24-I49 HydrophobicContact CB-CB 4.25Å; V24-I49 HydrophobicContact CB-CD1 4.24Å; V24-I49 HydrophobicContact CB-CG1 4.32Å; V24-I49 HydrophobicContact CG2-CD1 4.4Å; V24-I49 PolarHBondContact O-N 2.83Å; V24-K84 HydrophobicContact CG2-CB 4.39Å; V24-K84 HydrophobicContact CG2-CD 4.13Å; V24-K84 HydrophobicContact CG2-CG 3.81Å; V24-V85 HydrophobicContact CG1-CG2 3.99Å; V24-Y88 HydrophobicContact CG2-CD2 3.39Å; V24-Y88 HydrophobicContact CG2-CE2 3.5Å; V24-Y88 VanDerWaalsContact CG2-CE2 3.5Å
25E82.6Confident69.5Low100 Ų10084.6 Ų84.647%0.46747%0.471SS..EExtended strand (participates in β ladder)trans-136.3136.6163.263.4-178.8175.900109Y22 L46 V47Y22-E25 VanDerWaalsContact CD2-OE2 3.24Å; Y22-E25 WeakPolarHBondContact CD2-OE2 3.27Å; E25-L46 HydrophobicContact CB-CD2 4.24Å; E25-V47 CarbonylContact C-O 3.57Å; E25-V47 VanDerWaalsContact CA-O 3.28Å; E25-V47 WeakPolarHBondContact CA-O 3.32Å
26F77.3Confident70.1Confident38 Ų3882.5 Ų82.517%0.16746%0.455CS..EExtended strand (participates in β ladder)trans-152.6157.9177.967.5-81.6000109.7V24 A28 L46 V47 H81 V85V24-F26 HydrophobicContact CG1-CD1 4.09Å; F26-A28 HydrophobicContact CD2-CB 4.03Å; F26-A28 HydrophobicContact CE2-CB 3.65Å; F26-A28 PolarHBondContact O-N 3.31Å; F26-L46 VanDerWaalsContact O-CD1 3.32Å; F26-L46 WeakPolarHBondContact O-CD1 3.33Å; F26-V47 HydrophobicContact CD1-CB 4.19Å; F26-V47 HydrophobicContact CD1-CG1 4.26Å; F26-V47 HydrophobicContact CE1-CB 3.73Å; F26-V47 HydrophobicContact CE1-CG1 3.46Å; F26-V47 VanDerWaalsContact CE1-CG1 3.46Å; F26-V47 HydrophobicContact CE2-CB 4.14Å; F26-V47 HydrophobicContact CE2-CG2 4.38Å; F26-V47 HydrophobicContact CZ-CB 3.71Å; F26-V47 HydrophobicContact CZ-CG1 3.63Å; F26-V47 HydrophobicContact CZ-CG2 4.18Å; F26-V47 PolarHBondContact N-O 3.39Å; F26-V47 PolarHBondContact O-N 2.87Å; F26-H81 HydrophobicContact CB-CB 4.2Å; F26-H81 HydrophobicContact CG-CB 4.3Å; F26-V85 HydrophobicContact CD1-CG2 4.14Å; F26-V85 HydrophobicContact CE1-CG2 3.52Å; F26-V85 HydrophobicContact CZ-CG2 4.24Å
27R79.4Confident70.9Confident54 Ų5473.2 Ų73.220%0.20443%0.426CS..  trans-88.3116.5-176.2-59.6-140.1-167.2154.2-30.9110.4L46 D71 E72 P73R27-L46 HydrophobicContact CG-CD1 3.73Å; R27-D71 VanDerWaalsContact CZ-C 3.41Å; R27-D71 PolarHBondContact NE-O 3.47Å; R27-D71 VanDerWaalsContact NH2-CA 3.26Å; R27-D71 PolarHBondContact NH2-O 3.36Å; R27-E72 VanDerWaalsContact NH2-CA 3.32Å; R27-P73 HydrophobicContact CB-CG 4.2Å; R27-P73 HydrophobicContact CG-CG 3.76Å; R27-P73 VanDerWaalsContact CZ-N 3.29Å
28A77.8Confident72.7Confident29 Ų2974.8 Ų74.824%0.2442%0.424CS..  trans-142.9141.8172.800000110.6F26 G45 V47 W61F26-A28 HydrophobicContact CD2-CB 4.03Å; F26-A28 HydrophobicContact CE2-CB 3.65Å; F26-A28 PolarHBondContact O-N 3.31Å; A28-G45 PolarHBondContact N-O 3.39Å; A28-G45 CarbonylContact O-C 3.47Å; A28-G45 VanDerWaalsContact O-C 3.31Å; A28-G45 VanDerWaalsContact O-CA 3.25Å; A28-G45 WeakPolarHBondContact O-CA 3.4Å; A28-V47 HydrophobicContact CB-CG2 3.85Å; A28-W61 PolarHBondContact O-NE1 2.68Å
29G81.3Confident73.9Confident55 Ų5572.3 Ų72.357%0.56740%0.399SS*.  trans-74.7170.9164.800000110.4
30K79.9Confident75.3Confident89 Ų8971.7 Ų71.739%0.38739%0.393SS..  trans-122.1154.2168.467.4-180-177.4-176.80109.2D41 W61K30-D41 WeakPolarHBondContact CE-OD2 3.45Å; K30-D41 HydrophobicContact CG-CB 3.89Å; K30-D41 WeakPolarHBondContact O-CB 3.47Å; K30-D41 PolarHBondContact O-N 3.05Å; K30-W61 HydrophobicContact CD-CD2 3.86Å; K30-W61 HydrophobicContact CD-CE3 3.84Å; K30-W61 HydrophobicContact CD-CG 4.49Å; K30-W61 HydrophobicContact CD-CH2 4.11Å; K30-W61 HydrophobicContact CD-CZ2 4.13Å; K30-W61 HydrophobicContact CD-CZ3 3.98Å; K30-W61 VanDerWaalsContact CE-CZ3 3.49Å; K30-W61 HydrophobicContact CG-CD2 4.36Å; K30-W61 HydrophobicContact CG-CH2 4.34Å; K30-W61 HydrophobicContact CG-CZ2 4Å
31M79.1Confident76.1Confident142 Ų14266.4 Ų66.470%0.737%0.365SS*.EExtended strand (participates in β ladder)trans-98.5134.8165-66.2-17917200107.9V38M31-V38 HydrophobicContact CB-CG1 3.61Å; M31-V38 HydrophobicContact CG-CG1 4.26Å; M31-V38 HydrophobicContact SD-CG1 3.97Å
32S72.8Confident76.5Confident52 Ų5269.4 Ų69.436%0.36438%0.378SS..EExtended strand (participates in β ladder)trans-116.5135.8176.5-168.50000108.9K34 T39S32-K34 PolarHBondContact O-N 2.85Å; S32-T39 PolarHBondContact N-O 3.35Å; S32-T39 PolarHBondContact O-N 2.92Å; S32-T39 VanDerWaalsContact O-O 3.12Å
33L70.9Confident76.5Confident77 Ų7773.9 Ų73.940%0.40340%0.395SS..EExtended strand (participates in β ladder)trans-73.8122.7173.5-162.9128.7000108.5G35 V38 V237 P238L33-G35 WeakPolarHBondContact CD2-O 3.48Å; L33-V38 HydrophobicContact CD1-CG2 4.25Å; L33-V237 HydrophobicContact CD1-CG1 3.6Å; L33-V237 HydrophobicContact CD2-CG1 3.91Å; L33-V237 HydrophobicContact CG-CG1 4.43Å; L33-P238 HydrophobicContact CD2-CG 4.33Å
34K71.3Confident76.6Confident139 Ų13976.9 Ų76.960%0.60441%0.406SS*.EExtended strand (participates in β ladder)trans-118.3102174.6-74.4-170.1176-176.30108.2S32 T36 T37S32-K34 PolarHBondContact O-N 2.85Å; K34-T36 PolarHBondContact O-N 3.41Å; K34-T37 PolarHBondContact N-O 2.88Å; K34-T37 PolarHBondContact O-N 3.32Å
35G73.8Confident76.4Confident35 Ų3576.8 Ų76.836%0.36141%0.406SS..THydrogen-bonded Turntrans65.6-119.9-169.700000109.7L33 P238L33-G35 WeakPolarHBondContact CD2-O 3.48Å; G35-P238 WeakPolarHBondContact O-CG 3.39Å
36T64.9Low76.2Confident55 Ų5572.9 Ų72.934%0.33739%0.388SS..THydrogen-bonded Turntrans-96.4-15.1175.8-51.60000112.7K34 P238 A239K34-T36 PolarHBondContact O-N 3.41Å; T36-P238 PolarHBondContact OG1-O 3.09Å; T36-A239 HydrophobicContact CG2-CB 4.49Å
37T69.6Low76.5Confident56 Ų5671.4 Ų71.434%0.34438%0.382SS..EExtended strand (participates in β ladder)trans-93.3129.3-175.2-62.60000111.7K34 T39 Q298K34-T37 PolarHBondContact N-O 2.88Å; K34-T37 PolarHBondContact O-N 3.32Å; T37-T39 PolarHBondContact O-N 3.45Å; T37-Q298 PolarHBondContact OG1-NE2 3.41Å; T37-Q298 VanDerWaalsContact OG1-NE2 3.1Å; T37-Q298 PolarHBondContact OG1-OE1 3.05Å
38V80.2Confident76.4Confident85 Ų8570.9 Ų70.952%0.51538%0.381SS..EExtended strand (participates in β ladder)trans-77111.1170.9179.50000108.7M31 L33M31-V38 HydrophobicContact CB-CG1 3.61Å; M31-V38 HydrophobicContact CG-CG1 4.26Å; M31-V38 HydrophobicContact SD-CG1 3.97Å; L33-V38 HydrophobicContact CD1-CG2 4.25Å
39T73.6Confident76.6Confident48 Ų4869.6 Ų69.629%0.29437%0.37SS..EExtended strand (participates in β ladder)trans-106130.4179.9-50.70000109.8S32 T37 D41S32-T39 PolarHBondContact N-O 3.35Å; S32-T39 PolarHBondContact O-N 2.92Å; S32-T39 VanDerWaalsContact O-O 3.12Å; T37-T39 PolarHBondContact O-N 3.45Å; T39-D41 PolarHBondContact O-N 3.3Å
40P81.4Confident76.4Confident74 Ų7469.8 Ų69.848%0.48136%0.356SS..EExtended strand (participates in β ladder)trans-64127173.226.5-33.2000109.8K42P40-K42 PolarHBondContact O-N 2.9Å; P40-K42 VanDerWaalsContact O-N 3.12Å
41D79.5Confident76.1Confident42 Ų4268.8 Ų68.823%0.22535%0.353CS..  trans-71.9106.6170.7-165.2-14.2000107.6K30 T39 R43K30-D41 WeakPolarHBondContact CE-OD2 3.45Å; K30-D41 HydrophobicContact CG-CB 3.89Å; K30-D41 WeakPolarHBondContact O-CB 3.47Å; K30-D41 PolarHBondContact O-N 3.05Å; T39-D41 PolarHBondContact O-N 3.3Å; D41-R43 PolarHBondContact O-N 3.33Å; D41-R43 WeakPolarHBondContact OD1-CB 3.38Å; D41-R43 VanDerWaalsContact OD1-CD 3.29Å; D41-R43 WeakPolarHBondContact OD1-CD 3.2Å; D41-R43 WeakPolarHBondContact OD1-CG 3.47Å; D41-R43 PolarHBondContact OD1-N 3.48Å; D41-R43 IonicContact OD1-NE 3.97Å
42K79.3Confident75.6Confident201 Ų20163.4 Ų63.487%0.87433%0.328SS*.  trans-67.7-2.6-177.8-64-174.4177.6-179.80112.9P40P40-K42 PolarHBondContact O-N 2.9Å; P40-K42 VanDerWaalsContact O-N 3.12Å
43R75.7Confident75.3Confident134 Ų13469.4 Ų69.451%0.50636%0.356SS..SBendtrans-70.7140.8176.6-67.8172.2-179.7-137.47.5110.9D41 G45 W61 D63D41-R43 PolarHBondContact O-N 3.33Å; D41-R43 WeakPolarHBondContact OD1-CB 3.38Å; D41-R43 VanDerWaalsContact OD1-CD 3.29Å; D41-R43 WeakPolarHBondContact OD1-CD 3.2Å; D41-R43 WeakPolarHBondContact OD1-CG 3.47Å; D41-R43 PolarHBondContact OD1-N 3.48Å; D41-R43 IonicContact OD1-NE 3.97Å; R43-G45 PolarHBondContact O-N 3.08Å; R43-W61 HydrophobicContact CB-CH2 4.45Å; R43-D63 WeakPolarHBondContact CD-OD2 3.25Å; R43-D63 IonicContact CZ-OD2 3.82Å; R43-D63 IonicContact NE-OD2 4Å; R43-D63 IonicContact NH1-OD2 2.92Å; R43-D63 PolarHBondContact NH1-OD2 3.34Å
44K78.3Confident75.1Confident103 Ų10369.5 Ų69.545%0.44836%0.357SS..  trans-68.8122.6173.2-68.6-177.4-177-177.80107.8R64 T65K44-R64 HydrophobicContact CB-CB 3.79Å; K44-R64 VanDerWaalsContact O-CB 3.23Å; K44-R64 WeakPolarHBondContact O-CB 3.21Å; K44-R64 PolarHBondContact O-N 2.77Å; K44-T65 PolarHBondContact N-OG1 3.42Å
45G75.9Confident74.9Confident4 Ų465.2 Ų65.24%0.04135%0.345CS..EExtended strand (participates in β ladder)trans-112.1155.3-179.500000113.5A28 R43 K62A28-G45 PolarHBondContact N-O 3.39Å; A28-G45 CarbonylContact O-C 3.47Å; A28-G45 VanDerWaalsContact O-C 3.31Å; A28-G45 VanDerWaalsContact O-CA 3.25Å; A28-G45 WeakPolarHBondContact O-CA 3.4Å; R43-G45 PolarHBondContact O-N 3.08Å; G45-K62 CarbonylContact C-O 3.31Å; G45-K62 WeakPolarHBondContact CA-O 3.15Å
46L78.7Confident74.4Confident18 Ų1868.1 Ų68.19%0.09435%0.351CS..EExtended strand (participates in β ladder)trans-125122.2163.4-171.179.3000108.5E25 F26 R27 W61 K62 R64E25-L46 HydrophobicContact CB-CD2 4.24Å; F26-L46 VanDerWaalsContact O-CD1 3.32Å; F26-L46 WeakPolarHBondContact O-CD1 3.33Å; R27-L46 HydrophobicContact CG-CD1 3.73Å; L46-W61 CarbonylContact O-C 3.58Å; L46-W61 WeakPolarHBondContact O-CA 3.21Å; L46-K62 HydrophobicContact CB-CD 4.45Å; L46-K62 HydrophobicContact CB-CG 3.84Å; L46-K62 HydrophobicContact CD2-CD 4.39Å; L46-K62 VanDerWaalsContact CD2-NZ 3.34Å; L46-K62 PolarHBondContact N-O 2.94Å; L46-K62 PolarHBondContact O-N 3.46Å; L46-R64 HydrophobicContact CB-CG 4.29Å
47V82.1Confident74.9Confident7 Ų767.6 Ų67.64%0.04235%0.346CS..EExtended strand (participates in β ladder)trans-88130167.5175.60000107.6E25 F26 A28 F59 C60E25-V47 CarbonylContact C-O 3.57Å; E25-V47 VanDerWaalsContact CA-O 3.28Å; E25-V47 WeakPolarHBondContact CA-O 3.32Å; F26-V47 HydrophobicContact CD1-CB 4.19Å; F26-V47 HydrophobicContact CD1-CG1 4.26Å; F26-V47 HydrophobicContact CE1-CB 3.73Å; F26-V47 HydrophobicContact CE1-CG1 3.46Å; F26-V47 VanDerWaalsContact CE1-CG1 3.46Å; F26-V47 HydrophobicContact CE2-CB 4.14Å; F26-V47 HydrophobicContact CE2-CG2 4.38Å; F26-V47 HydrophobicContact CZ-CB 3.71Å; F26-V47 HydrophobicContact CZ-CG1 3.63Å; F26-V47 HydrophobicContact CZ-CG2 4.18Å; F26-V47 PolarHBondContact N-O 3.39Å; F26-V47 PolarHBondContact O-N 2.87Å; A28-V47 HydrophobicContact CB-CG2 3.85Å; V47-F59 HydrophobicContact CB-CZ 4.46Å; V47-F59 HydrophobicContact CG1-CD2 4.11Å; V47-F59 HydrophobicContact CG1-CE1 4.05Å; V47-F59 HydrophobicContact CG1-CE2 3.33Å; V47-F59 HydrophobicContact CG1-CZ 3.3Å; V47-F59 HydrophobicContact CG2-CZ 4.29Å; V47-C60 CarbonylContact C-O 3.51Å; V47-C60 VanDerWaalsContact CA-O 3.3Å; V47-C60 WeakPolarHBondContact CA-O 3.5Å
48Y79.2Confident74.7Confident44 Ų4469 Ų6917%0.17335%0.348CS..EExtended strand (participates in β ladder)trans-135148.1172.365.9-86.1000110.5Y22 V24 Q50 C60 K62Y22-Y48 AromaticContact CD1-CD2 3.32Å; Y22-Y48 HydrophobicContact CD1-CD2 3.32Å; Y22-Y48 AromaticContact CD1-CE2 3.96Å; Y22-Y48 HydrophobicContact CD1-CE2 3.96Å; Y22-Y48 HydrophobicContact CD1-CG 4.02Å; Y22-Y48 AromaticContact CE1-CD2 3.29Å; Y22-Y48 HydrophobicContact CE1-CD2 3.29Å; Y22-Y48 AromaticContact CE1-CE2 3.48Å; Y22-Y48 HydrophobicContact CE1-CE2 3.48Å; Y22-Y48 VanDerWaalsContact CE1-CE2 3.48Å; Y22-Y48 HydrophobicContact CE1-CG 4.04Å; Y22-Y48 HydrophobicContact CG-CD2 4.04Å; Y22-Y48 HydrophobicContact CG-CG 4.33Å; V24-Y48 CarbonylContact O-C 3.47Å; V24-Y48 VanDerWaalsContact O-CA 3.24Å; V24-Y48 WeakPolarHBondContact O-CA 3.35Å; Y48-Q50 HydrophobicContact CD2-CB 4.47Å; Y48-C60 HydrophobicContact CD1-CB 4.04Å; Y48-C60 HydrophobicContact CD2-CB 3.98Å; Y48-C60 HydrophobicContact CE1-CB 3.53Å; Y48-C60 HydrophobicContact CE2-CB 3.49Å; Y48-C60 VanDerWaalsContact CE2-CB 3.49Å; Y48-C60 HydrophobicContact CG-CB 4.26Å; Y48-C60 PolarHBondContact N-O 3.43Å; Y48-C60 PolarHBondContact O-N 2.91Å; Y48-K62 HydrophobicContact CD1-CD 4.22Å; Y48-K62 HydrophobicContact CD1-CG 4.25Å; Y48-K62 HydrophobicContact CE1-CB 4.16Å; Y48-K62 HydrophobicContact CE1-CD 3.98Å; Y48-K62 HydrophobicContact CE1-CG 4.05Å
49I81.4Confident74.6Confident2 Ų270.5 Ų70.51%0.0135%0.348CS..EExtended strand (participates in β ladder)trans-114.5119.9179-58.9-174.2000106.7Y22 L23 V24 I57 H58 F59 V85Y22-I49 CarbonylContact C-O 3.5Å; Y22-I49 WeakPolarHBondContact CA-O 3.12Å; L23-I49 PolarHBondContact N-O 3.43Å; V24-I49 HydrophobicContact CB-CB 4.25Å; V24-I49 HydrophobicContact CB-CD1 4.24Å; V24-I49 HydrophobicContact CB-CG1 4.32Å; V24-I49 HydrophobicContact CG2-CD1 4.4Å; V24-I49 PolarHBondContact O-N 2.83Å; I49-I57 HydrophobicContact CG2-CG2 3.27Å; I49-H58 CarbonylContact C-O 3.59Å; I49-H58 WeakPolarHBondContact CA-O 3.32Å; I49-F59 HydrophobicContact CD1-CD2 4.07Å; I49-F59 HydrophobicContact CG1-CD2 3.92Å; I49-V85 HydrophobicContact CD1-CB 4.26Å; I49-V85 HydrophobicContact CD1-CG1 3.95Å; I49-V85 HydrophobicContact CD1-CG2 3.88Å
50Q77.5Confident74.5Confident59 Ų5969.9 Ų69.928%0.27635%0.345SS..EExtended strand (participates in β ladder)trans-116.6143.3177.6-176.8161.360.200109.6K21 Y22 Y48 H58K21-Q50 PolarHBondContact O-NE2 3.09Å; Y22-Q50 HydrophobicContact CD1-CB 4.12Å; Y22-Q50 HydrophobicContact CD1-CG 4.5Å; Y48-Q50 HydrophobicContact CD2-CB 4.47Å; Q50-H58 HydrophobicContact CB-CB 4.41Å; Q50-H58 PolarHBondContact N-O 3.38Å; Q50-H58 WeakPolarHBondContact O-CA 3.27Å; Q50-H58 WeakPolarHBondContact O-CB 3.27Å; Q50-H58 PolarHBondContact O-N 3.34Å
51Q72.4Confident74.4Confident68 Ų6869.3 Ų69.332%0.31833%0.334SS..EExtended strand (participates in β ladder)trans-91.4123166.6-176.5170.425.400107.3L23 S55 L56 I57 P93L23-Q51 HydrophobicContact CD1-CB 3.58Å; L23-Q51 HydrophobicContact CD2-CB 4.31Å; Q51-S55 PolarHBondContact NE2-O 2.79Å; Q51-L56 WeakPolarHBondContact CA-O 3.47Å; Q51-I57 HydrophobicContact CB-CD1 4.43Å; Q51-P93 PolarHBondContact NE2-O 3.05Å
52T68.6Low74.2Confident29 Ų2970 Ų7018%0.17833%0.334CS..  trans-82.6167.7175.728.10000111D54 S55 L56 H58T52-D54 WeakPolarHBondContact CB-OD1 3.39Å; T52-D54 PolarHBondContact O-N 3.34Å; T52-D54 VanDerWaalsContact O-N 3.07Å; T52-D54 PolarHBondContact OG1-OD1 3.36Å; T52-S55 WeakPolarHBondContact O-CA 3.24Å; T52-S55 PolarHBondContact O-N 3.02Å; T52-L56 PolarHBondContact N-O 3.37Å; T52-L56 PolarHBondContact OG1-O 2.84Å; T52-L56 VanDerWaalsContact OG1-O 3.12Å; T52-H58 HydrophobicContact CG2-CB 4.45Å; T52-H58 PolarHBondContact OG1-CD2 3.34Å; T52-H58 PolarHBondContact OG1-NE2 2.98Å
53D67.3Low74Confident177 Ų17761.8 Ų61.895%0.94730%0.3SS*.THydrogen-bonded Turntrans-62.3-15.9-177.5-53.8-85000113.4S55D53-S55 VanDerWaalsContact C-N 3.26Å
54D66.6Low73.7Confident79 Ų7956 Ų5642%0.42228%0.278SS..THydrogen-bonded Turntrans-82.22.417262.2-0.3000113.7T52 L56T52-D54 WeakPolarHBondContact CB-OD1 3.39Å; T52-D54 PolarHBondContact O-N 3.34Å; T52-D54 VanDerWaalsContact O-N 3.07Å; T52-D54 PolarHBondContact OG1-OD1 3.36Å; D54-L56 HydrophobicContact CB-CD1 3.87Å; D54-L56 VanDerWaalsContact CG-CD1 3.43Å; D54-L56 PolarHBondContact O-N 2.85Å; D54-L56 WeakPolarHBondContact OD1-CB 3.29Å; D54-L56 PolarHBondContact OD1-N 3.48Å; D54-L56 WeakPolarHBondContact OD2-CD1 3.3Å
55S66.3Low72.9Confident50 Ų5055.1 Ų55.135%0.3528%0.282SS..SBendtrans65.19.8-172.9-500000115Q51 T52 D53Q51-S55 PolarHBondContact NE2-O 2.79Å; T52-S55 WeakPolarHBondContact O-CA 3.24Å; T52-S55 PolarHBondContact O-N 3.02Å; D53-S55 VanDerWaalsContact C-N 3.26Å
56L64.5Low71.8Confident95 Ų9559.5 Ų59.550%0.49731%0.312SS..  trans-82.1158.2172.6-79.591.1000111.7Q51 T52 D54Q51-L56 WeakPolarHBondContact CA-O 3.47Å; T52-L56 PolarHBondContact N-O 3.37Å; T52-L56 PolarHBondContact OG1-O 2.84Å; T52-L56 VanDerWaalsContact OG1-O 3.12Å; D54-L56 HydrophobicContact CB-CD1 3.87Å; D54-L56 VanDerWaalsContact CG-CD1 3.43Å; D54-L56 PolarHBondContact O-N 2.85Å; D54-L56 WeakPolarHBondContact OD1-CB 3.29Å; D54-L56 PolarHBondContact OD1-N 3.48Å; D54-L56 WeakPolarHBondContact OD2-CD1 3.3Å
57I74.1Confident70.2Confident44 Ų4461.7 Ų61.723%0.22634%0.338CS..EExtended strand (participates in β ladder)trans-92.9113.2178.8-63.5-58.3000109.8L23 I49 Q51 P92 P93L23-I57 HydrophobicContact CD2-CD1 3.81Å; I49-I57 HydrophobicContact CG2-CG2 3.27Å; Q51-I57 HydrophobicContact CB-CD1 4.43Å; I57-P92 HydrophobicContact CG1-CB 4.41Å; I57-P93 HydrophobicContact CD1-CG 4.27Å
58H65.9Low68.5Low85 Ų8567.4 Ų67.439%0.39437%0.369SS..EExtended strand (participates in β ladder)trans-90.3106.7171.7-87.7-132.7000110.7I49 Q50 T52I49-H58 CarbonylContact C-O 3.59Å; I49-H58 WeakPolarHBondContact CA-O 3.32Å; Q50-H58 HydrophobicContact CB-CB 4.41Å; Q50-H58 PolarHBondContact N-O 3.38Å; Q50-H58 WeakPolarHBondContact O-CA 3.27Å; Q50-H58 WeakPolarHBondContact O-CB 3.27Å; Q50-H58 PolarHBondContact O-N 3.34Å; T52-H58 HydrophobicContact CG2-CB 4.45Å; T52-H58 PolarHBondContact OG1-CD2 3.34Å; T52-H58 PolarHBondContact OG1-NE2 2.98Å
59F77.3Confident66.4Low117 Ų11771.5 Ų71.551%0.51340%0.398SS..EExtended strand (participates in β ladder)trans-86119.6169.3-176.3-86.4000110V47 I49V47-F59 HydrophobicContact CB-CZ 4.46Å; V47-F59 HydrophobicContact CG1-CD2 4.11Å; V47-F59 HydrophobicContact CG1-CE1 4.05Å; V47-F59 HydrophobicContact CG1-CE2 3.33Å; V47-F59 HydrophobicContact CG1-CZ 3.3Å; V47-F59 HydrophobicContact CG2-CZ 4.29Å; I49-F59 HydrophobicContact CD1-CD2 4.07Å; I49-F59 HydrophobicContact CG1-CD2 3.92Å
60C71.6Confident64.3Low35 Ų3575.1 Ų75.124%0.23642%0.415CS..EExtended strand (participates in β ladder)trans-132.1144.2-174-71.40000111.8V47 Y48V47-C60 CarbonylContact C-O 3.51Å; V47-C60 VanDerWaalsContact CA-O 3.3Å; V47-C60 WeakPolarHBondContact CA-O 3.5Å; Y48-C60 HydrophobicContact CD1-CB 4.04Å; Y48-C60 HydrophobicContact CD2-CB 3.98Å; Y48-C60 HydrophobicContact CE1-CB 3.53Å; Y48-C60 HydrophobicContact CE2-CB 3.49Å; Y48-C60 VanDerWaalsContact CE2-CB 3.49Å; Y48-C60 HydrophobicContact CG-CB 4.26Å; Y48-C60 PolarHBondContact N-O 3.43Å; Y48-C60 PolarHBondContact O-N 2.91Å
61W80.4Confident62.4Low63 Ų6379.1 Ų79.124%0.23944%0.438CS..EExtended strand (participates in β ladder)trans-117.7131.9171179.592.5000109.8A28 K30 R43 L46 D63A28-W61 PolarHBondContact O-NE1 2.68Å; K30-W61 HydrophobicContact CD-CD2 3.86Å; K30-W61 HydrophobicContact CD-CE3 3.84Å; K30-W61 HydrophobicContact CD-CG 4.49Å; K30-W61 HydrophobicContact CD-CH2 4.11Å; K30-W61 HydrophobicContact CD-CZ2 4.13Å; K30-W61 HydrophobicContact CD-CZ3 3.98Å; K30-W61 VanDerWaalsContact CE-CZ3 3.49Å; K30-W61 HydrophobicContact CG-CD2 4.36Å; K30-W61 HydrophobicContact CG-CH2 4.34Å; K30-W61 HydrophobicContact CG-CZ2 4Å; R43-W61 HydrophobicContact CB-CH2 4.45Å; L46-W61 CarbonylContact O-C 3.58Å; L46-W61 WeakPolarHBondContact O-CA 3.21Å; W61-D63 HydrophobicContact CH2-CB 4.08Å; W61-D63 HydrophobicContact CZ3-CB 4.19Å
62K74.6Confident60.8Low55 Ų5582.4 Ų82.424%0.23945%0.454CS..EExtended strand (participates in β ladder)trans-122.7143.5175.966.8178.6-169-1600112.2G45 L46 Y48G45-K62 CarbonylContact C-O 3.31Å; G45-K62 WeakPolarHBondContact CA-O 3.15Å; L46-K62 HydrophobicContact CB-CD 4.45Å; L46-K62 HydrophobicContact CB-CG 3.84Å; L46-K62 HydrophobicContact CD2-CD 4.39Å; L46-K62 VanDerWaalsContact CD2-NZ 3.34Å; L46-K62 PolarHBondContact N-O 2.94Å; L46-K62 PolarHBondContact O-N 3.46Å; Y48-K62 HydrophobicContact CD1-CD 4.22Å; Y48-K62 HydrophobicContact CD1-CG 4.25Å; Y48-K62 HydrophobicContact CE1-CB 4.16Å; Y48-K62 HydrophobicContact CE1-CD 3.98Å; Y48-K62 HydrophobicContact CE1-CG 4.05Å
63D76.1Confident59.4Low29 Ų2984.6 Ų84.616%0.15547%0.469CS..EExtended strand (participates in β ladder)trans-79130.3173.7-177.57.1000110.1R43 W61 T65 S66R43-D63 WeakPolarHBondContact CD-OD2 3.25Å; R43-D63 IonicContact CZ-OD2 3.82Å; R43-D63 IonicContact NE-OD2 4Å; R43-D63 IonicContact NH1-OD2 2.92Å; R43-D63 PolarHBondContact NH1-OD2 3.34Å; W61-D63 HydrophobicContact CH2-CB 4.08Å; W61-D63 HydrophobicContact CZ3-CB 4.19Å; D63-T65 WeakPolarHBondContact OD1-CB 3.45Å; D63-T65 PolarHBondContact OD1-N 3.45Å; D63-T65 PolarHBondContact OD1-OG1 3.26Å; D63-S66 PolarHBondContact OD2-OG 2.77Å
64R69.1Low57.8Low13 Ų1384.6 Ų84.65%0.04946%0.46CS..SBendtrans-92.6-25.1-179.6-71.6179.352.8-135-17.2112.6K44 L46 S66 G67 E70K44-R64 HydrophobicContact CB-CB 3.79Å; K44-R64 VanDerWaalsContact O-CB 3.23Å; K44-R64 WeakPolarHBondContact O-CB 3.21Å; K44-R64 PolarHBondContact O-N 2.77Å; L46-R64 HydrophobicContact CB-CG 4.29Å; R64-S66 VanDerWaalsContact C-N 3.26Å; R64-S66 PolarHBondContact O-N 3.22Å; R64-G67 PolarHBondContact O-N 3.21Å; R64-E70 HydrophobicContact CB-CG 3.84Å; R64-E70 HydrophobicContact CG-CG 4.5Å; R64-E70 IonicContact CZ-OE1 3.42Å; R64-E70 IonicContact NE-OE1 3.59Å; R64-E70 IonicContact NH2-OE1 2.76Å; R64-E70 PolarHBondContact NH2-OE1 3.41Å; R64-E70 VanDerWaalsContact O-CG 3.24Å; R64-E70 WeakPolarHBondContact O-CG 3.11Å
65T61.2Low56.4Low84 Ų8487.8 Ų87.852%0.51548%0.483SS..THydrogen-bonded Turntrans-67.8-24.7-172.6-25.90000113.2K44 D63 G67K44-T65 PolarHBondContact N-OG1 3.42Å; D63-T65 WeakPolarHBondContact OD1-CB 3.45Å; D63-T65 PolarHBondContact OD1-N 3.45Å; D63-T65 PolarHBondContact OD1-OG1 3.26Å; T65-G67 VanDerWaalsContact C-N 3.33Å; T65-G67 PolarHBondContact O-N 3.31Å
66S53.4Low55.3Low97 Ų9792.1 Ų92.168%0.67850%0.502SS*.THydrogen-bonded Turntrans-88.810.8-176.2-57.80000114D63 R64D63-S66 PolarHBondContact OD2-OG 2.77Å; R64-S66 VanDerWaalsContact C-N 3.26Å; R64-S66 PolarHBondContact O-N 3.22Å
67G45.1Very low54.6Low63 Ų6392.9 Ų92.965%0.64950%0.503SS*.SBendtrans83.129.8172.800000116.1R64 T65R64-G67 PolarHBondContact O-N 3.21Å; T65-G67 VanDerWaalsContact C-N 3.33Å; T65-G67 PolarHBondContact O-N 3.31Å
68N45.2Very low53.8Low127 Ų12796.3 Ų96.368%0.67952%0.522SS*.SBendtrans-105.2125.6160.4-108-89.7000109
69V35Very low53.4Low131 Ų131100.7 Ų100.779%0.79454%0.542SS*.  trans-30.1125.1-152.4172.50000117.6
70E38.3Very low52.5Low78 Ų78100.9 Ų100.936%0.36455%0.545SS..  trans-113131.5175.8-55.6-160.477.700110.6R64R64-E70 HydrophobicContact CB-CG 3.84Å; R64-E70 HydrophobicContact CG-CG 4.5Å; R64-E70 IonicContact CZ-OE1 3.42Å; R64-E70 IonicContact NE-OE1 3.59Å; R64-E70 IonicContact NH2-OE1 2.76Å; R64-E70 PolarHBondContact NH2-OE1 3.41Å; R64-E70 VanDerWaalsContact O-CG 3.24Å; R64-E70 WeakPolarHBondContact O-CG 3.11Å
71D36.4Very low52Low142 Ų142101.1 Ų101.176%0.75954%0.542SS*.  trans-159.6136.7142.2-160.6-92.8000114R27R27-D71 VanDerWaalsContact CZ-C 3.41Å; R27-D71 PolarHBondContact NE-O 3.47Å; R27-D71 VanDerWaalsContact NH2-CA 3.26Å; R27-D71 PolarHBondContact NH2-O 3.36Å
72E40.1Very low51Low138 Ų138101.9 Ų101.965%0.64556%0.556SS**  trans4.8140.9-175.5-3.4163.6123.200119.9R27R27-E72 VanDerWaalsContact NH2-CA 3.32Å
73P40Very low50.8Low75 Ų75108.4 Ų108.449%0.48758%0.579SS.*  -139.6157.3110.243.2-35.3000114.3R27R27-P73 HydrophobicContact CB-CG 4.2Å; R27-P73 HydrophobicContact CG-CG 3.76Å; R27-P73 VanDerWaalsContact CZ-N 3.29Å
74K31.8Very low50.5Low177 Ų177111.2 Ų111.277%0.7759%0.59SS**  trans-71156.8167.6-80.299.8172.2-178.90111.6D76K74-D76 VanDerWaalsContact C-N 3.25Å; K74-D76 PolarHBondContact O-N 3.49Å
75T37.8Very low50.6Low146 Ų146111.5 Ų111.590%0.89659%0.593SS**THydrogen-bonded Turntrans-77.243.3-173.6-46.60000114
76D44.3Very low51.3Low141 Ų141112 Ų11275%0.75459%0.593SS**THydrogen-bonded Turntrans-120.4-3.2-173-69.8-77.6000115.5K74K74-D76 VanDerWaalsContact C-N 3.25Å; K74-D76 PolarHBondContact O-N 3.49Å
77Q49.6Very low52.5Low111 Ų111113 Ų11352%0.51959%0.587SS.*  trans-126.912.5-170.7-69.4-173-9.300116.2E79 E80 H81Q77-E79 VanDerWaalsContact C-N 3.26Å; Q77-E79 PolarHBondContact O-N 3.42Å; Q77-E80 PolarHBondContact O-N 2.94Å; Q77-H81 PolarHBondContact O-CD2 3.07Å; Q77-H81 PolarHBondContact O-N 3.41Å
78D56.8Low53.6Low116 Ų116113.1 Ų113.162%0.6257%0.568SS**Hα-helixtrans-59.9-35.8-172-142.533.8000112.9H81 C82D78-H81 PolarHBondContact O-N 2.76Å; D78-C82 PolarHBondContact O-N 3.39Å; D78-C82 PolarHBondContact O-SG 2.89Å
79E58Low54.9Low176 Ų176112.5 Ų112.582%0.82256%0.564SS**Hα-helixtrans-71.5-34.5-176.9-143.5158.4-152.900113.1Q77 R83Q77-E79 VanDerWaalsContact C-N 3.26Å; Q77-E79 PolarHBondContact O-N 3.42Å; E79-R83 WeakPolarHBondContact O-CB 3.38Å; E79-R83 PolarHBondContact O-N 3.02Å
80E58.6Low56.8Low121 Ų121111.9 Ų111.957%0.56556%0.556SS**Hα-helixtrans-71.7-40.9174.8-171.5-178.5168.700111Q77 R83 K84Q77-E80 PolarHBondContact O-N 2.94Å; E80-R83 PolarHBondContact O-N 3.46Å; E80-K84 WeakPolarHBondContact O-CB 3.49Å; E80-K84 PolarHBondContact O-N 3.18Å
81H60.7Low58.5Low41 Ų41113.4 Ų113.419%0.1957%0.567CS.*Hα-helixtrans-64.7-45.6177.3-67.5-57.2000111.8F26 Q77 D78 R83 K84 V85F26-H81 HydrophobicContact CB-CB 4.2Å; F26-H81 HydrophobicContact CG-CB 4.3Å; Q77-H81 PolarHBondContact O-CD2 3.07Å; Q77-H81 PolarHBondContact O-N 3.41Å; D78-H81 PolarHBondContact O-N 2.76Å; H81-R83 VanDerWaalsContact C-N 3.33Å; H81-R83 PolarHBondContact O-N 3.34Å; H81-K84 PolarHBondContact O-N 2.9Å; H81-V85 VanDerWaalsContact O-CG2 3.26Å; H81-V85 WeakPolarHBondContact O-CG2 3.5Å; H81-V85 PolarHBondContact O-N 3.21Å
82C58.7Low59.9Low79 Ų79108.8 Ų108.853%0.53455%0.545SS..Hα-helixtrans-58.2-45.7175.6-73.90000111.8D78 K84 N86D78-C82 PolarHBondContact O-N 3.39Å; D78-C82 PolarHBondContact O-SG 2.89Å; C82-K84 VanDerWaalsContact C-N 3.34Å; C82-K84 PolarHBondContact O-N 3.02Å; C82-N86 VanDerWaalsContact O-CB 3.3Å; C82-N86 WeakPolarHBondContact O-CB 3.3Å; C82-N86 PolarHBondContact O-N 3.32Å
83R71.3Confident60.9Low191 Ų191104.1 Ų104.172%0.72153%0.527SS*.Hα-helixtrans-61.9-44.2179.2-166.8176-168.9175.84.8111.5E79 E80 H81 N86 E87E79-R83 WeakPolarHBondContact O-CB 3.38Å; E79-R83 PolarHBondContact O-N 3.02Å; E80-R83 PolarHBondContact O-N 3.46Å; H81-R83 VanDerWaalsContact C-N 3.33Å; H81-R83 PolarHBondContact O-N 3.34Å; R83-N86 PolarHBondContact O-N 2.92Å; R83-E87 VanDerWaalsContact O-CB 3.3Å; R83-E87 WeakPolarHBondContact O-CB 3.38Å; R83-E87 PolarHBondContact O-N 3.34Å
84K68.6Low61.6Low88 Ų88108.1 Ų108.138%0.38354%0.541SS..Hα-helixtrans-68.7-41.5-177.6-160.3169.8-173.4169.40112.5V24 E80 H81 C82 E87 Y88V24-K84 HydrophobicContact CG2-CB 4.39Å; V24-K84 HydrophobicContact CG2-CD 4.13Å; V24-K84 HydrophobicContact CG2-CG 3.81Å; E80-K84 WeakPolarHBondContact O-CB 3.49Å; E80-K84 PolarHBondContact O-N 3.18Å; H81-K84 PolarHBondContact O-N 2.9Å; C82-K84 VanDerWaalsContact C-N 3.34Å; C82-K84 PolarHBondContact O-N 3.02Å; K84-E87 PolarHBondContact O-N 3.39Å; K84-Y88 HydrophobicContact CD-CE2 4.37Å; K84-Y88 HydrophobicContact CG-CD2 4.02Å; K84-Y88 HydrophobicContact CG-CE2 3.66Å; K84-Y88 WeakPolarHBondContact O-CD2 3.43Å; K84-Y88 PolarHBondContact O-N 3.18Å
85V72.6Confident62.5Low19 Ų19104 Ų10412%0.11553%0.532CS..Hα-helixtrans-60.9-48173.1171.30000110.6V24 F26 I49 H81 E87 Y88 L89V24-V85 HydrophobicContact CG1-CG2 3.99Å; F26-V85 HydrophobicContact CD1-CG2 4.14Å; F26-V85 HydrophobicContact CE1-CG2 3.52Å; F26-V85 HydrophobicContact CZ-CG2 4.24Å; I49-V85 HydrophobicContact CD1-CB 4.26Å; I49-V85 HydrophobicContact CD1-CG1 3.95Å; I49-V85 HydrophobicContact CD1-CG2 3.88Å; H81-V85 VanDerWaalsContact O-CG2 3.26Å; H81-V85 WeakPolarHBondContact O-CG2 3.5Å; H81-V85 PolarHBondContact O-N 3.21Å; V85-E87 VanDerWaalsContact C-N 3.3Å; V85-E87 PolarHBondContact O-N 3.31Å; V85-Y88 PolarHBondContact O-N 2.79Å; V85-L89 HydrophobicContact CG1-CD1 3.83Å; V85-L89 WeakPolarHBondContact O-CG 3.47Å; V85-L89 PolarHBondContact O-N 2.96Å
86N75.6Confident63.4Low95 Ų95100.8 Ų100.851%0.50853%0.528SS..Hα-helixtrans-63.8-37179.3-172.868000111.9C82 R83 L89 N90C82-N86 VanDerWaalsContact O-CB 3.3Å; C82-N86 WeakPolarHBondContact O-CB 3.3Å; C82-N86 PolarHBondContact O-N 3.32Å; R83-N86 PolarHBondContact O-N 2.92Å; N86-L89 PolarHBondContact O-N 2.9Å; N86-N90 VanDerWaalsContact CG-ND2 3.35Å; N86-N90 PolarHBondContact ND2-ND2 2.92Å; N86-N90 WeakPolarHBondContact O-CB 3.38Å; N86-N90 PolarHBondContact O-N 3.41Å; N86-N90 PolarHBondContact O-ND2 3.36Å; N86-N90 PolarHBondContact OD1-ND2 3.04Å; N86-N90 VanDerWaalsContact OD1-ND2 3.1Å
87E79.4Confident64Low118 Ų11897.2 Ų97.255%0.55152%0.518SS*.Hα-helixtrans-66.9-42.1177.3-169.4160.4166.400112.2R83 K84 V85 L89 N90 N91R83-E87 VanDerWaalsContact O-CB 3.3Å; R83-E87 WeakPolarHBondContact O-CB 3.38Å; R83-E87 PolarHBondContact O-N 3.34Å; K84-E87 PolarHBondContact O-N 3.39Å; V85-E87 VanDerWaalsContact C-N 3.3Å; V85-E87 PolarHBondContact O-N 3.31Å; E87-L89 VanDerWaalsContact C-N 3.35Å; E87-L89 PolarHBondContact O-N 3.05Å; E87-N90 PolarHBondContact O-N 2.85Å; E87-N91 PolarHBondContact O-N 2.94Å
88Y66.4Low64.5Low65 Ų6598 Ų9826%0.25553%0.525SS..Hα-helixtrans-70.2-28.9174.8-75.7-61.7000113.8L23 V24 K84 V85 P93L23-Y88 HydrophobicContact CB-CE2 4.18Å; L23-Y88 HydrophobicContact CD2-CD1 3.85Å; L23-Y88 HydrophobicContact CD2-CE1 3.75Å; L23-Y88 HydrophobicContact CD2-CG 4.42Å; V24-Y88 HydrophobicContact CG2-CD2 3.39Å; V24-Y88 HydrophobicContact CG2-CE2 3.5Å; V24-Y88 VanDerWaalsContact CG2-CE2 3.5Å; K84-Y88 HydrophobicContact CD-CE2 4.37Å; K84-Y88 HydrophobicContact CG-CD2 4.02Å; K84-Y88 HydrophobicContact CG-CE2 3.66Å; K84-Y88 WeakPolarHBondContact O-CD2 3.43Å; K84-Y88 PolarHBondContact O-N 3.18Å; V85-Y88 PolarHBondContact O-N 2.79Å; Y88-P93 HydrophobicContact CD1-CG 4.33Å; Y88-P93 HydrophobicContact CE1-CG 4.35Å
89L73.1Confident64.7Low115 Ų11595.7 Ų95.760%0.60253%0.529SS*.Hα-helixtrans-70.2-42.1172-78.8163.9000111.9V85 N86 E87V85-L89 HydrophobicContact CG1-CD1 3.83Å; V85-L89 WeakPolarHBondContact O-CG 3.47Å; V85-L89 PolarHBondContact O-N 2.96Å; N86-L89 PolarHBondContact O-N 2.9Å; E87-L89 VanDerWaalsContact C-N 3.35Å; E87-L89 PolarHBondContact O-N 3.05Å
90N75.4Confident64.9Low117 Ų11792.4 Ų92.463%0.62653%0.532SS*.Hα-helixtrans-80.4-25.2-178.8-76.8-78.5000113N86 E87N86-N90 VanDerWaalsContact CG-ND2 3.35Å; N86-N90 PolarHBondContact ND2-ND2 2.92Å; N86-N90 WeakPolarHBondContact O-CB 3.38Å; N86-N90 PolarHBondContact O-N 3.41Å; N86-N90 PolarHBondContact O-ND2 3.36Å; N86-N90 PolarHBondContact OD1-ND2 3.04Å; N86-N90 VanDerWaalsContact OD1-ND2 3.1Å; E87-N90 PolarHBondContact O-N 2.85Å
91N72.8Confident64.7Low110 Ų11091.3 Ų91.359%0.58854%0.538SS*.SBendtrans-138.788.1-178.6-17044.5000111.2E87E87-N91 PolarHBondContact O-N 2.94Å
92P67.6Low65.3Low46 Ų4692 Ų9230%0.29956%0.555SS.*  trans-63.7135.5177.626.1-33.2000110.4I57 M94I57-P92 HydrophobicContact CG1-CB 4.41Å; P92-M94 PolarHBondContact O-N 3.3Å
93P60.8Low65.2Low40 Ų4094.9 Ų94.926%0.2658%0.577SS.*SBendtrans-70.1116.2-179.526.5-27.6000109.9L23 Q51 I57 Y88L23-P93 HydrophobicContact CD2-CG 3.78Å; Q51-P93 PolarHBondContact NE2-O 3.05Å; I57-P93 HydrophobicContact CD1-CG 4.27Å; Y88-P93 HydrophobicContact CD1-CG 4.33Å; Y88-P93 HydrophobicContact CE1-CG 4.35Å
94M53.3Low64.7Low158 Ų15891.1 Ų91.178%0.77858%0.58SS**  trans7294-173.3-85177.5174.400115.6P92 G96P92-M94 PolarHBondContact O-N 3.3Å; M94-G96 PolarHBondContact O-N 2.77Å
95P52.3Low64.4Low91 Ų9189.8 Ų89.859%0.59159%0.591SS**THydrogen-bonded Turntrans-78.554.217434.1-34.3000111.5L98P95-L98 HydrophobicContact CB-CD1 3.82Å; P95-L98 HydrophobicContact CB-CG 4.37Å
96G56.4Low63.7Low78 Ų7895.6 Ų95.680%0.80462%0.617SS**THydrogen-bonded Turntrans-86.4-18.117500000113.8M94M94-G96 PolarHBondContact O-N 2.77Å
97A57.2Low62.8Low67 Ų6798.3 Ų98.355%0.55463%0.626SS**SBendtrans-103.6-6.8-176.600000113.9G99A97-G99 PolarHBondContact O-N 3.47Å
98L60Low61.9Low126 Ų12699.9 Ų99.966%0.6664%0.638SS**SBendtrans-71.1101.5170.2-63.8177.8000106.9P95 A100P95-L98 HydrophobicContact CB-CD1 3.82Å; P95-L98 HydrophobicContact CB-CG 4.37Å; L98-A100 PolarHBondContact O-N 3.46Å
99G59.1Low61.8Low69 Ų69102.1 Ų102.171%0.71166%0.663SS**  trans-47.1132.7179.200000110.9A97 S101A97-G99 PolarHBondContact O-N 3.47Å; G99-S101 VanDerWaalsContact C-N 3.31Å; G99-S101 PolarHBondContact O-N 2.76Å
100A62.9Low61.1Low106 Ų10699 Ų9988%0.87665%0.654SS**  trans-69.590.417700000109L98 G102L98-A100 PolarHBondContact O-N 3.46Å; A100-G102 VanDerWaalsContact C-N 3.32Å; A100-G102 PolarHBondContact O-N 3.1Å
101S55.2Low60.1Low99 Ų99101.3 Ų101.369%0.69267%0.665SS**  trans-74.789.7173.9-167.10000109G99G99-S101 VanDerWaalsContact C-N 3.31Å; G99-S101 PolarHBondContact O-N 2.76Å
102G71.9Confident59.3Low54 Ų54100.7 Ų100.756%0.55769%0.685SS**SBendtrans-81.4-151.9159.800000111.1A100 S104A100-G102 VanDerWaalsContact C-N 3.32Å; A100-G102 PolarHBondContact O-N 3.1Å; G102-S104 PolarHBondContact O-N 3.44Å
103S56.7Low58.8Low141 Ų141101.3 Ų101.399%0.98670%0.699SS**THydrogen-bonded Turntrans-65.815.9-177.2-169.60000116.2
104S61.2Low58.7Low111 Ų111107 Ų10778%0.77672%0.722SS**THydrogen-bonded Turntrans-131.19.4-169.861.20000115.2G102 H106G102-S104 PolarHBondContact O-N 3.44Å; S104-H106 PolarHBondContact O-N 3.36Å
105G61.6Low59.1Low60 Ų60101.9 Ų101.962%0.61971%0.711SS**  trans-86.574.3173.600000112.3
106H58.4Low59.6Low142 Ų14299.7 Ų99.766%0.65771%0.705SS**  trans-125.8102.3172.4-172.4-77.2000109.8S104 L108S104-H106 PolarHBondContact O-N 3.36Å; H106-L108 WeakPolarHBondContact ND1-CD2 3.42Å; H106-L108 WeakPolarHBondContact ND1-CG 3.41Å; H106-L108 PolarHBondContact O-N 3.36Å
107E57.5Low59.8Low152 Ų152102 Ų10271%0.7170%0.698SS**  trans-67.9100.2166.4-79.7-164.586.300108.7S109 A110E107-S109 PolarHBondContact O-N 3.28Å; E107-S109 VanDerWaalsContact O-N 3.15Å; E107-A110 HydrophobicContact CB-CB 3.78Å; E107-A110 HydrophobicContact CG-CB 4.36Å
108L60.4Low60Low151 Ų151105.4 Ų105.479%0.79170%0.702SS**THydrogen-bonded Turntrans-63.6-17-178.3-80.6161.9000113.8H106H106-L108 WeakPolarHBondContact ND1-CD2 3.42Å; H106-L108 WeakPolarHBondContact ND1-CG 3.41Å; H106-L108 PolarHBondContact O-N 3.36Å
109S64.4Low60Low112 Ų112103.2 Ų103.278%0.78370%0.698SS**THydrogen-bonded Turntrans-156.770175.5-67.80000109.8E107E107-S109 PolarHBondContact O-N 3.28Å; E107-S109 VanDerWaalsContact O-N 3.15Å
110A57.2Low60.1Low50 Ų50106.4 Ų106.441%0.41370%0.698SS.*SBendtrans-63.4-46.3-177.900000112E107E107-A110 HydrophobicContact CB-CB 3.78Å; E107-A110 HydrophobicContact CG-CB 4.36Å
111L55Low60Low164 Ų164107.4 Ų107.486%0.85969%0.688SS**  trans-155.2117174.6-69.6176.7000109.2G113L111-G113 PolarHBondContact O-N 3.27Å
112G55.8Low60.2Low98 Ų98106.2 Ų106.2100%1.0169%0.691SS**  trans-70.367.9175.200000112.4
113G58.3Low59.5Low58 Ų58109.4 Ų109.460%0.59870%0.695SS**SBendtrans-121.6129.3164.600000107.6L111 G115L111-G113 PolarHBondContact O-N 3.27Å; G113-G115 PolarHBondContact O-N 3.08Å
114E58.5Low59.7Low159 Ų159109.6 Ų109.674%0.74368%0.682SS**  trans-41.697.3-177.8178.5-108.4133.700112.4G116E114-G116 PolarHBondContact O-N 3.2Å; E114-G116 WeakPolarHBondContact OE1-CA 3.25Å
115G60.5Low59.9Low52 Ų52107.2 Ų107.254%0.53667%0.665SS.*  trans-69.4112.217000000107.8G113 L117 Q118G113-G115 PolarHBondContact O-N 3.08Å; G115-L117 PolarHBondContact O-N 3.21Å; G115-Q118 PolarHBondContact O-N 3.48Å
116G63.6Low59.6Low45 Ų45112.2 Ų112.246%0.46467%0.672SS.*THydrogen-bonded Turntrans-55.99.7178.900000116.4E114 Q118 S119E114-G116 PolarHBondContact O-N 3.2Å; E114-G116 WeakPolarHBondContact OE1-CA 3.25Å; G116-Q118 VanDerWaalsContact C-N 3.27Å; G116-S119 PolarHBondContact O-N 3.19Å
117L61.1Low59.7Low127 Ų127108.8 Ų108.867%0.66566%0.664SS**THydrogen-bonded Turntrans-65.8-28.6167.5-133.5153000111.8G115 S119 L120 L121G115-L117 PolarHBondContact O-N 3.21Å; L117-S119 VanDerWaalsContact C-N 3.31Å; L117-S119 PolarHBondContact O-N 3.37Å; L117-L120 PolarHBondContact O-N 3.04Å; L117-L121 HydrophobicContact CD2-CD1 4.03Å; L117-L121 PolarHBondContact O-N 3.06Å
118Q61.2Low59.7Low137 Ų137106 Ų10664%0.6465%0.651SS**Hα-helixtrans-67.1-32.4177.4-15571.175.600112.4G115 G116 L120 L121 G122G115-Q118 PolarHBondContact O-N 3.48Å; G116-Q118 VanDerWaalsContact C-N 3.27Å; Q118-L120 VanDerWaalsContact C-N 3.27Å; Q118-L120 PolarHBondContact O-N 3.23Å; Q118-L121 PolarHBondContact O-N 2.84Å; Q118-G122 PolarHBondContact O-N 3.49Å
119S59.6Low59.7Low81 Ų81103.8 Ų103.857%0.56664%0.64SS**Hα-helixtrans-68.2-22.8177.2-71.10000113.4G116 L117 N123G116-S119 PolarHBondContact O-N 3.19Å; L117-S119 VanDerWaalsContact C-N 3.31Å; L117-S119 PolarHBondContact O-N 3.37Å; S119-N123 WeakPolarHBondContact O-CB 3.36Å
120L60.7Low59.5Low135 Ų135104.8 Ų104.871%0.70763%0.633SS**Hα-helixtrans-81.5-33.1172.2-71.4172.8000112.6L117 Q118L117-L120 PolarHBondContact O-N 3.04Å; Q118-L120 VanDerWaalsContact C-N 3.27Å; Q118-L120 PolarHBondContact O-N 3.23Å
121L61.6Low59.5Low128 Ų128109.1 Ų109.167%0.6765%0.645SS**Hα-helixtrans-73.8-28.7178.8-97.571000112.8L117 Q118L117-L121 HydrophobicContact CD2-CD1 4.03Å; L117-L121 PolarHBondContact O-N 3.06Å; Q118-L121 PolarHBondContact O-N 2.84Å
122G59.1Low59.5Low73 Ų73108.6 Ų108.675%0.75364%0.643SS**Hα-helixtrans-90.4-19.6-176.100000116.1Q118Q118-G122 PolarHBondContact O-N 3.49Å
123N58.2Low59.6Low121 Ų121109.9 Ų109.965%0.64763%0.625SS**  trans-1134.5-163.1-161.448.9000115.8S119 S125S119-N123 WeakPolarHBondContact O-CB 3.36Å; N123-S125 PolarHBondContact O-N 2.9Å
124M59Low59.5Low145 Ų145108.9 Ų108.971%0.71462%0.615SS**  trans-81.174.2174.3-161.4171-84.700110.3
125S66Low59.6Low61 Ų61108.6 Ų108.643%0.42763%0.627SS.*  trans-67.9148.6173.658.70000111N123 S127 Q128N123-S125 PolarHBondContact O-N 2.9Å; S125-S127 PolarHBondContact O-N 3.25Å; S125-S127 PolarHBondContact OG-OG 3.43Å; S125-S127 VanDerWaalsContact OG-OG 3.08Å; S125-Q128 PolarHBondContact O-N 3.17Å
126H55.6Low59.6Low166 Ų166110.5 Ų110.577%0.76964%0.637SS**Hα-helixtrans-51-17.7-176.8-176.9-133.6000114.7
127S59.6Low59.2Low69 Ų69111.7 Ų111.748%0.48365%0.65SS.*Hα-helixtrans-72.4-30173.949.10000114.1S125 L129 M130 Q131S125-S127 PolarHBondContact O-N 3.25Å; S125-S127 PolarHBondContact OG-OG 3.43Å; S125-S127 VanDerWaalsContact OG-OG 3.08Å; S127-L129 VanDerWaalsContact C-N 3.32Å; S127-M130 PolarHBondContact O-N 2.8Å; S127-Q131 PolarHBondContact O-N 3.38Å
128Q57.6Low59.3Low94 Ų94112.7 Ų112.744%0.43966%0.655SS.*Hα-helixtrans-74.4-24.8176.5-136.176.3-89.300112.1S125 M130 Q131 L132S125-Q128 PolarHBondContact O-N 3.17Å; Q128-M130 VanDerWaalsContact C-N 3.29Å; Q128-Q131 PolarHBondContact O-N 3.37Å; Q128-Q131 VanDerWaalsContact OE1-OE1 3.11Å; Q128-L132 PolarHBondContact O-N 3.05Å
129L60.3Low59.4Low104 Ų104109.3 Ų109.355%0.54566%0.657SS.*Hα-helixtrans-67.5-30.1170.3-78.3167.8000112S127S127-L129 VanDerWaalsContact C-N 3.32Å
130M61.4Low59.6Low133 Ų133107.9 Ų107.966%0.65566%0.655SS**Hα-helixtrans-82-26.5177.6-156.771.4-173.100112.6S127 Q128 L132 I133S127-M130 PolarHBondContact O-N 2.8Å; Q128-M130 VanDerWaalsContact C-N 3.29Å; M130-L132 VanDerWaalsContact C-N 3.32Å; M130-I133 HydrophobicContact CE-CD1 4.14Å; M130-I133 WeakPolarHBondContact O-CB 3.37Å; M130-I133 PolarHBondContact O-N 3.24Å; M130-I133 VanDerWaalsContact O-N 3.14Å; M130-I133 HydrophobicContact SD-CD1 3.84Å
131Q57.7Low59.6Low142 Ų142108 Ų10866%0.66466%0.655SS**Hα-helixtrans-78-13174.9-70.7-172.98.600114S127 Q128 I133 G134S127-Q131 PolarHBondContact O-N 3.38Å; Q128-Q131 PolarHBondContact O-N 3.37Å; Q128-Q131 VanDerWaalsContact OE1-OE1 3.11Å; Q131-I133 PolarHBondContact O-N 3.33Å; Q131-G134 PolarHBondContact O-N 2.67Å
132L55.2Low59.7Low153 Ų153106 Ų10680%0.80167%0.665SS**THydrogen-bonded Turntrans-68.3-2.8163.3-163.669.4000112.3Q128 M130Q128-L132 PolarHBondContact O-N 3.05Å; M130-L132 VanDerWaalsContact C-N 3.32Å
133I57.4Low59.9Low124 Ų124105.4 Ų105.464%0.63666%0.66SS**  trans-10656.3171.7-52.7165.4000107.8M130 Q131M130-I133 HydrophobicContact CE-CD1 4.14Å; M130-I133 WeakPolarHBondContact O-CB 3.37Å; M130-I133 PolarHBondContact O-N 3.24Å; M130-I133 VanDerWaalsContact O-N 3.14Å; M130-I133 HydrophobicContact SD-CD1 3.84Å; Q131-I133 PolarHBondContact O-N 3.33Å
134G56.2Low60.2Low38 Ų38106.6 Ų106.639%0.39267%0.665SS.*  trans-75151.616800000111.1Q131 A136Q131-G134 PolarHBondContact O-N 2.67Å; G134-A136 PolarHBondContact O-N 3.23Å
135P59.5Low60.3Low153 Ų153102.9 Ų102.999%0.99467%0.665SS**SBendtrans-69.8-3.7-175.130-35.6000114.2
136A60.8Low60.2Low91 Ų91104.2 Ų104.275%0.75268%0.679SS**SBendtrans-112.782.6169.400000108.4G134 L138G134-A136 PolarHBondContact O-N 3.23Å; A136-L138 PolarHBondContact O-N 2.72Å; A136-L138 VanDerWaalsContact O-N 3.1Å
137G56.1Low60.5Low71 Ų71103.9 Ų103.973%0.73268%0.682SS**  trans-60.6111.417700000110.9G139G137-G139 PolarHBondContact O-N 2.75Å
138L62.9Low60.8Low148 Ų148107 Ų10778%0.77570%0.699SS**  trans-74.369.1168.3-169.774.6000109.2A136 G140 L141A136-L138 PolarHBondContact O-N 2.72Å; A136-L138 VanDerWaalsContact O-N 3.1Å; L138-G140 PolarHBondContact O-N 3.19Å; L138-L141 HydrophobicContact CD1-CB 4.44Å; L138-L141 HydrophobicContact CD1-CD1 3.82Å
139G63Low61.1Low65 Ų65105.5 Ų105.567%0.6771%0.708SS**  trans-71.9111.6173.100000110.8G137 L141G137-G139 PolarHBondContact O-N 2.75Å; G139-L141 PolarHBondContact O-N 3.42Å; G139-L141 VanDerWaalsContact O-N 3.11Å
140G63.4Low61.3Low51 Ų51103.2 Ų103.253%0.52670%0.699SS.*SBendtrans73.14.6152.300000119L138 G142 G143L138-G140 PolarHBondContact O-N 3.19Å; G140-G142 PolarHBondContact O-N 3.33Å; G140-G143 PolarHBondContact O-N 3.47Å
141L62.1Low61.5Low137 Ų137100.2 Ų100.272%0.71770%0.703SS**THydrogen-bonded Turntrans-67.6-12.8178.9-81.7160.9000114.7L138 G139L138-L141 HydrophobicContact CD1-CB 4.44Å; L138-L141 HydrophobicContact CD1-CD1 3.82Å; G139-L141 PolarHBondContact O-N 3.42Å; G139-L141 VanDerWaalsContact O-N 3.11Å
142G62.9Low61.8Low86 Ų86101.5 Ų101.589%0.88771%0.714SS**THydrogen-bonded Turntrans-112.93.7169.900000114.1G140G140-G142 PolarHBondContact O-N 3.33Å
143G63.3Low62.2Low62 Ų6296.7 Ų96.764%0.63970%0.696SS**  trans-10716.4-176.300000113.7G140 G145G140-G143 PolarHBondContact O-N 3.47Å; G143-G145 VanDerWaalsContact C-N 3.31Å; G143-G145 PolarHBondContact O-N 3.04Å
144L63.3Low62.5Low145 Ų14594.8 Ų94.876%0.75969%0.694SS**SBendtrans-71.293.8169.5-58.8175.1000106.5A146L144-A146 PolarHBondContact O-N 3.24Å
145G63Low62.9Low68 Ų68101.4 Ų101.470%0.70172%0.719SS**  trans-34.1115.5-174.500000111.9G143 L147G143-G145 VanDerWaalsContact C-N 3.31Å; G143-G145 PolarHBondContact O-N 3.04Å; G145-L147 PolarHBondContact O-N 2.76Å
146A63.9Low63.5Low88 Ų8899.2 Ų99.273%0.72770%0.698SS**  trans-49.5130.9-178.600000109.4L144 T148L144-A146 PolarHBondContact O-N 3.24Å; A146-T148 VanDerWaalsContact C-N 3.35Å; A146-T148 WeakPolarHBondContact O-CG2 2.96Å; A146-T148 PolarHBondContact O-N 3.06Å
147L60Low64Low159 Ų15998 Ų9883%0.83270%0.695SS**  trans-23.786.2-178.6-46170.7000112.7G145 G149G145-L147 PolarHBondContact O-N 2.76Å; L147-G149 PolarHBondContact O-N 3.46Å
148T66.1Low64.7Low136 Ų136100 Ų10083%0.83470%0.698SS**  trans-76.577.4178.848.40000108.2A146A146-T148 VanDerWaalsContact C-N 3.35Å; A146-T148 WeakPolarHBondContact O-CG2 2.96Å; A146-T148 PolarHBondContact O-N 3.06Å
149G64Low65.3Low61 Ų6196.6 Ų96.663%0.62969%0.686SS**  trans51.383.4174.300000113.5L147 G151L147-G149 PolarHBondContact O-N 3.46Å; G149-G151 PolarHBondContact O-N 3.45Å
150P65.3Low66.1Low56 Ų5696.5 Ų96.536%0.36469%0.685SS.*  trans-70.275.5179.530.8-36.4000110.6L152 S154P150-L152 PolarHBondContact O-N 2.88Å; P150-L152 VanDerWaalsContact O-N 3.13Å; P150-S154 WeakPolarHBondContact CG-OG 3.29Å; P150-S154 VanDerWaalsContact O-CB 3.28Å; P150-S154 WeakPolarHBondContact O-CB 3.23Å; P150-S154 PolarHBondContact O-N 3.33Å
151G66.1Low66.7Low71 Ų7199.9 Ų99.973%0.73270%0.697SS**THydrogen-bonded Turntrans-57.9-34.7-170.600000113.9G149G149-G151 PolarHBondContact O-N 3.45Å
152L63.9Low67.4Low169 Ų16997.8 Ų97.889%0.88569%0.692SS**THydrogen-bonded Turntrans-112.9-15.4-172.4-78.9-83000113.1P150P150-L152 PolarHBondContact O-N 2.88Å; P150-L152 VanDerWaalsContact O-N 3.13Å
153A62Low67.9Low52 Ų5296.7 Ų96.743%0.4368%0.681SS.*THydrogen-bonded Turntrans-122.25-171.600000114.2L155 L156A153-L155 PolarHBondContact O-N 3.38Å; A153-L155 VanDerWaalsContact O-N 3.09Å; A153-L156 PolarHBondContact O-N 3.18Å
154S64.2Low68.4Low84 Ų8498.6 Ų98.659%0.58768%0.684SS**THydrogen-bonded Turntrans-53.6-35-171.9-153.90000114.6P150P150-S154 WeakPolarHBondContact CG-OG 3.29Å; P150-S154 VanDerWaalsContact O-CB 3.28Å; P150-S154 WeakPolarHBondContact O-CB 3.23Å; P150-S154 PolarHBondContact O-N 3.33Å
155L65.8Low68.7Low176 Ų17696.7 Ų96.792%0.92168%0.683SS**THydrogen-bonded Turntrans-114.8-3.8-175.2-68161.5000113.1A153A153-L155 PolarHBondContact O-N 3.38Å; A153-L155 VanDerWaalsContact O-N 3.09Å
156L72Confident69Low108 Ų10898.4 Ų98.457%0.56569%0.685SS**THydrogen-bonded Turntrans-100.213-165.1-16852.6000113.7A153 S158 S159A153-L156 PolarHBondContact O-N 3.18Å; L156-S158 PolarHBondContact O-N 3.08Å; L156-S158 VanDerWaalsContact O-N 3.15Å; L156-S159 WeakPolarHBondContact CG-OG 3.4Å; L156-S159 PolarHBondContact O-N 3.07Å; L156-S159 PolarHBondContact O-OG 3.07Å
157G70.2Confident69.1Low66 Ų6699.5 Ų99.568%0.6869%0.687SS**THydrogen-bonded Turntrans56.535.1174.800000113.8S159G157-S159 PolarHBondContact O-N 3.11Å
158S72.2Confident69.8Low113 Ų11396.8 Ų96.879%0.7968%0.681SS**THydrogen-bonded Turntrans5226.6-178.363.50000115.3L156L156-S158 PolarHBondContact O-N 3.08Å; L156-S158 VanDerWaalsContact O-N 3.15Å
159S74.9Confident69.8Low75 Ų7595.6 Ų95.652%0.52468%0.679SS.*PPolyproline II helixtrans-75.1132.8-179.155.40000111.4L156 G157L156-S159 WeakPolarHBondContact CG-OG 3.4Å; L156-S159 PolarHBondContact O-N 3.07Å; L156-S159 PolarHBondContact O-OG 3.07Å; G157-S159 PolarHBondContact O-N 3.11Å
160G78.7Confident70.1Confident63 Ų6397.6 Ų97.665%0.64968%0.683SS**PPolyproline II helixtrans-84163178.300000112.5
161P77.9Confident70.2Confident122 Ų122106.1 Ų106.179%0.79271%0.708SS**PPolyproline II helixtrans-64.5155.7174.928.2-34.4000111.6G163P161-G163 PolarHBondContact O-N 3.48Å
162P75.6Confident70.1Confident94 Ų94107.8 Ų107.861%0.6171%0.708SS**PPolyproline II helixtrans-62.9135.1-178.925.2-33.7000111.9S164P162-S164 PolarHBondContact O-N 3.27Å
163G73.2Confident70Confident63 Ų63108.7 Ų108.765%0.64971%0.708SS**G310 helixtrans-71.6-4.8177.300000114.8P161 S165 S166P161-G163 PolarHBondContact O-N 3.48Å; G163-S165 PolarHBondContact O-N 2.88Å; G163-S166 PolarHBondContact O-N 3.43Å
164S73.7Confident70.1Confident101 Ų101112.1 Ų112.171%0.70673%0.729SS**G310 helixtrans-62-22.4-177.8-43.30000113.7P162 S166P162-S164 PolarHBondContact O-N 3.27Å; S164-S166 VanDerWaalsContact C-N 3.27Å; S164-S166 PolarHBondContact O-N 3.17Å
165S70.6Confident69.9Low105 Ų105112.6 Ų112.673%0.73474%0.738SS**G310 helixtrans-71-21.4178.5-41.10000113G163 S167G163-S165 PolarHBondContact O-N 2.88Å; S165-S167 PolarHBondContact O-N 2.92Å
166S68.4Low68.9Low105 Ų105108.2 Ų108.273%0.73473%0.727SS**  trans-90.771.1-179-62.20000110.9G163 S164 S168G163-S166 PolarHBondContact O-N 3.43Å; S164-S166 VanDerWaalsContact C-N 3.27Å; S164-S166 PolarHBondContact O-N 3.17Å; S166-S168 VanDerWaalsContact C-N 3.31Å; S166-S168 PolarHBondContact O-N 3.15Å; S166-S168 VanDerWaalsContact O-N 3.08Å
167S67Low68.5Low110 Ų110108.6 Ų108.677%0.76973%0.733SS**  trans-84.367.8177.9-63.80000111.4S165S165-S167 PolarHBondContact O-N 2.92Å
168S73.3Confident67.6Low103 Ų103111 Ų11172%0.7274%0.735SS**  trans-107.6102.7172.1-1650000110.2S166 S170S166-S168 VanDerWaalsContact C-N 3.31Å; S166-S168 PolarHBondContact O-N 3.15Å; S166-S168 VanDerWaalsContact O-N 3.08Å; S168-S170 PolarHBondContact O-N 3.19Å
169S66.4Low67.1Low111 Ų111108.6 Ų108.678%0.77672%0.717SS**THydrogen-bonded Turntrans-76.746.2-178.6-56.90000113
170S70.8Confident65.6Low103 Ų103110.5 Ų110.572%0.7273%0.73SS**THydrogen-bonded Turntrans-78.9-23.5-178.8-161.30000112.4S168S168-S170 PolarHBondContact O-N 3.19Å
171R66.5Low64.5Low235 Ų235112.9 Ų112.989%0.88774%0.737SS**  trans-145.3129.5174-65.2-173.5167.8172.6-4.2110.3
172S63.9Low63.6Low105 Ų105112.6 Ų112.673%0.73473%0.733SS**  trans-131.9105.1173.1-64.20000109.7
173Q62.8Low62.7Low189 Ų189112.4 Ų112.488%0.88373%0.73SS**  trans-139.3116.1170-67.7-171.2-0.100110.7
174S63.1Low62Low124 Ų124114.2 Ų114.287%0.86773%0.733SS**  trans-130.2127.3152.3-770000107.4
175A60.7Low61.2Low94 Ų94115.4 Ų115.478%0.77774%0.741SS**  trans63.5114.3-17000000117.2
176A45Very low60.6Low84 Ų84116.6 Ų116.669%0.69474%0.744SS**  trans-124.573.6141.300000108.5T178A176-T178 HydrophobicContact CB-CG2 4.3Å; A176-T178 PolarHBondContact O-N 3.05Å
177V62.9Low59.7Low116 Ų116123.1 Ų123.170%0.70375%0.753SS**  trans-74.5102152.5-72.10000105.9
178T50.9Low59.1Low116 Ų116122.3 Ų122.371%0.71275%0.753SS**  trans-103.8117.3177.850.80000109A176A176-T178 HydrophobicContact CB-CG2 4.3Å; A176-T178 PolarHBondContact O-N 3.05Å
179P61.8Low57.9Low63 Ų63122.9 Ų122.941%0.40975%0.752SS.*SBendtrans-90.15.8-175.931.8-32.2000114T183P179-T183 HydrophobicContact CB-CG2 3.64Å; P179-T183 HydrophobicContact CG-CG2 3.49Å; P179-T183 VanDerWaalsContact CG-CG2 3.49Å
180S44.9Very low57.5Low115 Ų115123.6 Ų123.680%0.80475%0.754SS**SBend62.690-128.1-59.60000110T182S180-T182 PolarHBondContact O-N 2.86Å; S180-T182 VanDerWaalsContact O-N 3.09Å
181S54.6Low56.6Low112 Ų112122.9 Ų122.978%0.78375%0.754SS**SBendtrans18.868.3163.1-55.10000119.2
182T60Low56.5Low116 Ų116117.4 Ų117.471%0.71275%0.749SS**  trans175.9101.3134.7-70.10000107.3S180S180-T182 PolarHBondContact O-N 2.86Å; S180-T182 VanDerWaalsContact O-N 3.09Å
183T55.2Low56.4Low90 Ų90118.6 Ų118.655%0.55276%0.757SS**  trans-130.993.8153.953.80000108.6P179P179-T183 HydrophobicContact CB-CG2 3.64Å; P179-T183 HydrophobicContact CG-CG2 3.49Å; P179-T183 VanDerWaalsContact CG-CG2 3.49Å
184S60.5Low56.1Low102 Ų102113.8 Ų113.871%0.71375%0.75SS**  trans-121103163.5-43.50000106.4
185S55.8Low55.6Low125 Ų125113.6 Ų113.687%0.87475%0.746SS**  trans-148.778.6154.7-83.10000108.3
186T58Low55.7Low131 Ų131114.5 Ų114.580%0.80475%0.754SS**  trans-122.583.9155.4460000107.7A188T186-A188 PolarHBondContact O-N 3.23Å
187R49.1Very low56.7Low242 Ų242114 Ų11491%0.91375%0.749SS**  trans-86.192.6163.6-174.3162.8166.6-172.1-6.2108.5T189R187-T189 PolarHBondContact O-N 3.25Å
188A54.6Low56.7Low93 Ų93113.9 Ų113.977%0.76976%0.76SS**SBendtrans56.748.5156.300000118.6T186T186-A188 PolarHBondContact O-N 3.23Å
189T49.5Very low57.3Low115 Ų115113.4 Ų113.471%0.70676%0.762SS**  trans-125.3105.5159.4520000109.8R187 A191R187-T189 PolarHBondContact O-N 3.25Å; T189-A191 PolarHBondContact O-N 3Å
190P56.8Low57.8Low125 Ų125114 Ų11481%0.81277%0.772SS**  trans-65.3119.3167.2-9.624.2000108P192P190-P192 WeakPolarHBondContact O-CD 3.4Å
191A52.1Low59.2Low89 Ų89115.5 Ų115.574%0.73678%0.776SS**  trans-96.297.716900000108T189 S193T189-A191 PolarHBondContact O-N 3Å; A191-S193 PolarHBondContact O-N 3.2Å
192P64.3Low59.5Low119 Ų119114.9 Ų114.977%0.77377%0.772SS**  trans-68.4113171.527.4-31.9000108.7P190 A194P190-P192 WeakPolarHBondContact O-CD 3.4Å; P192-A194 PolarHBondContact O-N 3.23Å; P192-A194 VanDerWaalsContact O-N 3.09Å
193S61.5Low59.9Low130 Ų130114.7 Ų114.791%0.90977%0.773SS**  trans-71.3101175.1-61.40000110.7A191A191-S193 PolarHBondContact O-N 3.2Å
194A57.5Low59.9Low89 Ų89116 Ų11674%0.73679%0.785SS**  trans-137.4145.2158.100000108.1P192P192-A194 PolarHBondContact O-N 3.23Å; P192-A194 VanDerWaalsContact O-N 3.09Å
195P52.7Low59.9Low120 Ų120116.5 Ų116.578%0.77979%0.787SS**  cis-119.3148.316.636.9-22.4000114.4
196A62.3Low59.9Low113 Ų113115 Ų11593%0.93478%0.782SS**SBendtrans-90.6-8.6-17400000115.6
197A64.7Low59.6Low73 Ų73114.5 Ų114.560%0.60378%0.78SS**SBendtrans-163.3142.8168.600000109.7S199A197-S199 PolarHBondContact O-N 3.38Å
198A64Low59.4Low113 Ų113108.5 Ų108.593%0.93478%0.776SS**  trans-78.5106.1169.300000108.5
199S64Low59.3Low107 Ų107109.8 Ų109.875%0.74878%0.779SS**  trans-116.6125173.5-62.60000109.4A197A197-S199 PolarHBondContact O-N 3.38Å
200A72Confident59.2Low74 Ų74106.7 Ų106.761%0.61277%0.77SS**  trans-88.5136170.700000109.1S202A200-S202 PolarHBondContact O-N 2.96Å
201T73.1Confident59.1Low147 Ų147108.7 Ų108.790%0.90277%0.774SS**SBendtrans-71.1-12.5176.649.90000112.9
202S62.3Low58.6Low100 Ų100106.9 Ų106.970%0.69976%0.764SS**SBendtrans-156.893.7174.8-610000109.5A200 S204A200-S202 PolarHBondContact O-N 2.96Å; S202-S204 PolarHBondContact O-N 3.1Å
203P68.4Low57.5Low112 Ų112106.4 Ų106.473%0.72777%0.77SS**  trans-76114.4174.229.4-30.5000109.4P205P203-P205 WeakPolarHBondContact O-CD 3.49Å
204S54.3Low56.9Low116 Ų116105.8 Ų105.881%0.81177%0.766SS**  trans-96.3110.6167.1-171.30000108.4S202S202-S204 PolarHBondContact O-N 3.1Å
205P61.1Low56.3Low114 Ų114107 Ų10774%0.7476%0.764SS**  trans-79.2124.1-17828.8-31.2000111.8P203P203-P205 WeakPolarHBondContact O-CD 3.49Å
206A54.7Low55.8Low93 Ų93104.8 Ų104.877%0.76976%0.756SS**  trans-145.8134153.200000107.4
207P52.1Low54.9Low120 Ų120104.1 Ų104.178%0.77975%0.75SS**  cis-116.113618.336.3-21.8000113.9S209P207-S209 PolarHBondContact O-N 3.24Å
208S45.3Very low54.1Low116 Ų116104.6 Ų104.681%0.81175%0.749SS**  trans-85.4101.2170.6-61.80000109.9G210S208-G210 PolarHBondContact O-N 2.88Å
209S53.4Low53.3Low121 Ų121105.5 Ų105.585%0.84675%0.746SS**  trans-92.784.8163.8-67.60000109.5P207P207-S209 PolarHBondContact O-N 3.24Å
210G47.2Very low52.6Low49 Ų49105.5 Ų105.551%0.50574%0.742SS.*  trans-82.6145146.500000108.1S208 G212S208-G210 PolarHBondContact O-N 2.88Å; G210-G212 PolarHBondContact O-N 3.35Å; G210-G212 VanDerWaalsContact O-N 3.08Å
211N53.7Low51.4Low167 Ų167109.5 Ų109.589%0.89375%0.747SS**SBendtrans-34.9111-174.8-70.361.3000114.1
212G41.3Very low50.4Low52 Ų52106.2 Ų106.254%0.53673%0.729SS.*SBendtrans86.7113.1174.800000113.3G210 S214G210-G212 PolarHBondContact O-N 3.35Å; G210-G212 VanDerWaalsContact O-N 3.08Å; G212-S214 PolarHBondContact O-N 2.91Å
213A43Very low50.1Low109 Ų109107.8 Ų107.890%0.90173%0.728SS**THydrogen-bonded Turntrans-65.581.7171.600000110.2
214S47.2Very low49.7Very low117 Ų117109.2 Ų109.282%0.81873%0.725SS**THydrogen-bonded Turntrans163-14.8148.4-730000113.7G212G212-S214 PolarHBondContact O-N 2.91Å
215T46.4Very low50.3Low113 Ų113108.4 Ų108.469%0.69371%0.711SS**SBendtrans-93.5-7.4-165.9-31.70000115.3
216A41.8Very low50.7Low74 Ų74106.1 Ų106.161%0.61270%0.697SS**SBendtrans-147.729.3-173.600000115.3
217A43.3Very low51.5Low99 Ų99106.1 Ų106.182%0.81869%0.685SS**  trans-85.4-10.618000000114.3
218S48.1Very low52.5Low83 Ų83104.8 Ų104.858%0.5867%0.671SS**SBendtrans-96.4145.7180-500000110.6T220S218-T220 PolarHBondContact O-N 3.26Å
219P46.4Very low53.7Low132 Ų132104.7 Ų104.786%0.85766%0.657SS**  trans-70.479.4175.131-35000110.3Q221P219-Q221 PolarHBondContact O-N 2.79Å
220T49.2Very low54.3Low108 Ų108101.4 Ų101.466%0.66363%0.634SS**  trans-89.827178.648.90000112.4S218 P222S218-T220 PolarHBondContact O-N 3.26Å; T220-P222 WeakPolarHBondContact O-CD 3.49Å
221Q47.7Very low55.5Low157 Ų157103.2 Ų103.273%0.73463%0.632SS**  trans-62.7111175.2-67.3-65.4-42.600108.4P219 I223P219-Q221 PolarHBondContact O-N 2.79Å; Q221-I223 PolarHBondContact O-N 3.22Å
222P51.2Low56.1Low78 Ų78100.3 Ų100.351%0.50662%0.616SS.*  trans-76.186.5177.331.9-28.9000106.7T220 Q224 S226T220-P222 WeakPolarHBondContact O-CD 3.49Å; P222-Q224 VanDerWaalsContact C-N 3.34Å; P222-Q224 PolarHBondContact O-N 3.1Å; P222-S226 WeakPolarHBondContact CB-OG 3.29Å
223I56.1Low57.3Low134 Ų13498.8 Ų98.869%0.68760%0.597SS**  trans-64.793.3-178.9-64.2149.9000108.2Q221 L225Q221-I223 PolarHBondContact O-N 3.22Å; I223-L225 WeakPolarHBondContact O-CG 3.17Å; I223-L225 PolarHBondContact O-N 2.99Å
224Q60.3Low58.2Low142 Ų14298 Ų9866%0.66458%0.582SS**SBendtrans49.4-1.2179.8-58.2-165.1-90.800116.9P222 S226 D227 L228P222-Q224 VanDerWaalsContact C-N 3.34Å; P222-Q224 PolarHBondContact O-N 3.1Å; Q224-S226 VanDerWaalsContact C-N 3.26Å; Q224-S226 PolarHBondContact O-N 3.3Å; Q224-D227 PolarHBondContact O-N 2.75Å; Q224-D227 VanDerWaalsContact O-N 3.16Å; Q224-L228 WeakPolarHBondContact O-CG 3.48Å; Q224-L228 PolarHBondContact O-N 2.9Å
225L67.9Low58.6Low98 Ų9899.7 Ų99.751%0.51358%0.578SS.*Hα-helixtrans-65.7-32.8-178.7-70.7176000110.4I223 Q229I223-L225 WeakPolarHBondContact O-CG 3.17Å; I223-L225 PolarHBondContact O-N 2.99Å; L225-Q229 WeakPolarHBondContact O-CA 3.5Å; L225-Q229 WeakPolarHBondContact O-CB 3.33Å; L225-Q229 VanDerWaalsContact O-CD 3.31Å; L225-Q229 WeakPolarHBondContact O-CG 3.45Å; L225-Q229 PolarHBondContact O-N 3.36Å
226S68.5Low59Low66 Ų66101.3 Ų101.346%0.46258%0.583SS.*Hα-helixtrans-64.6-41.1174.4-56.80000112.2P222 Q224 S230P222-S226 WeakPolarHBondContact CB-OG 3.29Å; Q224-S226 VanDerWaalsContact C-N 3.26Å; Q224-S226 PolarHBondContact O-N 3.3Å; S226-S230 VanDerWaalsContact O-CB 3.31Å; S226-S230 WeakPolarHBondContact O-CB 3.15Å; S226-S230 PolarHBondContact O-N 3.44Å
227D71.1Confident59.5Low94 Ų9499.8 Ų99.850%0.50357%0.566SS.*Hα-helixtrans-70.3-46.6178.6-171.341.6000110.5Q224 Q229 S230 I231Q224-D227 PolarHBondContact O-N 2.75Å; Q224-D227 VanDerWaalsContact O-N 3.16Å; D227-Q229 PolarHBondContact O-N 3.15Å; D227-S230 WeakPolarHBondContact O-CB 3.32Å; D227-S230 PolarHBondContact O-N 3.36Å; D227-S230 VanDerWaalsContact O-N 3.15Å; D227-I231 VanDerWaalsContact O-CG1 3.29Å; D227-I231 WeakPolarHBondContact O-CG1 3.28Å; D227-I231 PolarHBondContact O-N 3.06Å
228L73.2Confident59.6Low92 Ų9298.6 Ų98.648%0.48255%0.55SS.*Hα-helixtrans-62.1-41.3175.2-66.8175.2000112.2Q224 S230 I231 L232Q224-L228 WeakPolarHBondContact O-CG 3.48Å; Q224-L228 PolarHBondContact O-N 2.9Å; L228-S230 VanDerWaalsContact C-N 3.34Å; L228-I231 PolarHBondContact O-N 3.32Å; L228-L232 VanDerWaalsContact O-CB 3.28Å; L228-L232 WeakPolarHBondContact O-CB 3.22Å; L228-L232 WeakPolarHBondContact O-CD1 3.42Å; L228-L232 WeakPolarHBondContact O-CG 3.24Å; L228-L232 PolarHBondContact O-N 3.33Å
229Q70.6Confident59.6Low113 Ų11396.2 Ų96.253%0.52854%0.535SS..Hα-helixtrans-63.6-40.2174.4-75.9167.732.200111.3L225 D227 L232 A233L225-Q229 WeakPolarHBondContact O-CA 3.5Å; L225-Q229 WeakPolarHBondContact O-CB 3.33Å; L225-Q229 VanDerWaalsContact O-CD 3.31Å; L225-Q229 WeakPolarHBondContact O-CG 3.45Å; L225-Q229 PolarHBondContact O-N 3.36Å; D227-Q229 PolarHBondContact O-N 3.15Å; Q229-L232 PolarHBondContact O-N 3.34Å; Q229-A233 WeakPolarHBondContact O-CB 3.39Å; Q229-A233 PolarHBondContact O-N 3.19Å
230S66.6Low59.6Low52 Ų5292.4 Ų92.436%0.36452%0.52SS..Hα-helixtrans-64.8-41.6176.8-169.50000112.2S226 D227 L228 T234S226-S230 VanDerWaalsContact O-CB 3.31Å; S226-S230 WeakPolarHBondContact O-CB 3.15Å; S226-S230 PolarHBondContact O-N 3.44Å; D227-S230 WeakPolarHBondContact O-CB 3.32Å; D227-S230 PolarHBondContact O-N 3.36Å; D227-S230 VanDerWaalsContact O-N 3.15Å; L228-S230 VanDerWaalsContact C-N 3.34Å; S230-T234 PolarHBondContact O-N 2.9Å; S230-T234 PolarHBondContact O-OG1 3.45Å
231I72.1Confident59.3Low88 Ų8892 Ų9245%0.45152%0.52SS..Hα-helixtrans-66.7-44.7176.1-64.5163.5000110.5D227 L228 T234 M235D227-I231 VanDerWaalsContact O-CG1 3.29Å; D227-I231 WeakPolarHBondContact O-CG1 3.28Å; D227-I231 PolarHBondContact O-N 3.06Å; L228-I231 PolarHBondContact O-N 3.32Å; I231-T234 PolarHBondContact O-N 3Å; I231-M235 PolarHBondContact O-N 2.75Å; I231-M235 VanDerWaalsContact O-N 3.08Å
232L67.1Low59.1Low106 Ų10688.9 Ų88.956%0.55552%0.52SS*.Hα-helixtrans-65.6-38.3178.1-71.6165.4000112.5L228 Q229 T234 M235 N236 V237L228-L232 VanDerWaalsContact O-CB 3.28Å; L228-L232 WeakPolarHBondContact O-CB 3.22Å; L228-L232 WeakPolarHBondContact O-CD1 3.42Å; L228-L232 WeakPolarHBondContact O-CG 3.24Å; L228-L232 PolarHBondContact O-N 3.33Å; Q229-L232 PolarHBondContact O-N 3.34Å; L232-T234 VanDerWaalsContact C-N 3.29Å; L232-T234 PolarHBondContact O-N 3.13Å; L232-M235 PolarHBondContact O-N 3.02Å; L232-N236 PolarHBondContact O-N 3.23Å; L232-N236 VanDerWaalsContact O-N 3.16Å; L232-V237 PolarHBondContact O-N 3.39Å
233A65Low58.7Low19 Ų1987.2 Ų87.216%0.15752%0.517CS..Hα-helixtrans-61.3-37172.100000111.9Q229 A239Q229-A233 WeakPolarHBondContact O-CB 3.39Å; Q229-A233 PolarHBondContact O-N 3.19Å; A233-A239 HydrophobicContact CB-CB 4.36Å; A233-A239 WeakPolarHBondContact CB-O 3.47Å
234T62.6Low58Low93 Ų9384.4 Ų84.457%0.57152%0.521SS*.Hα-helixtrans-76-29.7179-54.80000112.9S230 I231 L232S230-T234 PolarHBondContact O-N 2.9Å; S230-T234 PolarHBondContact O-OG1 3.45Å; I231-T234 PolarHBondContact O-N 3Å; L232-T234 VanDerWaalsContact C-N 3.29Å; L232-T234 PolarHBondContact O-N 3.13Å
235M54.9Low57.2Low152 Ų15285.5 Ų85.575%0.74953%0.527SS*.Hα-helixtrans-96.1-34.7-170.9-81-97.478.800115.9I231 L232I231-M235 PolarHBondContact O-N 2.75Å; I231-M235 VanDerWaalsContact O-N 3.08Å; L232-M235 PolarHBondContact O-N 3.02Å
236N56.2Low56.1Low147 Ų14785.3 Ų85.379%0.78652%0.523SS*.THydrogen-bonded Turntrans-153-8.3-170.8-176.273.9000115.7L232L232-N236 PolarHBondContact O-N 3.23Å; L232-N236 VanDerWaalsContact O-N 3.16Å
237V50.5Low55.2Low42 Ų4284.9 Ų84.926%0.25552%0.518SS..  trans-107.1130.6-178.2-174.30000109L33 L232 A239L33-V237 HydrophobicContact CD1-CG1 3.6Å; L33-V237 HydrophobicContact CD2-CG1 3.91Å; L33-V237 HydrophobicContact CG-CG1 4.43Å; L232-V237 PolarHBondContact O-N 3.39Å; V237-A239 HydrophobicContact CG1-CB 3.98Å; V237-A239 PolarHBondContact O-N 2.88Å
238P46.6Very low54.1Low75 Ų7585.4 Ų85.449%0.48752%0.52SS..SBendtrans-73.545.5173.632.9-36.8000112L33 G35 T36L33-P238 HydrophobicContact CD2-CG 4.33Å; G35-P238 WeakPolarHBondContact O-CG 3.39Å; T36-P238 PolarHBondContact OG1-O 3.09Å
239A47.7Very low53.2Low33 Ų3381.2 Ų81.227%0.27350%0.498SS..SBendtrans-104.3118.2164.800000106T36 A233 V237T36-A239 HydrophobicContact CG2-CB 4.49Å; A233-A239 HydrophobicContact CB-CB 4.36Å; A233-A239 WeakPolarHBondContact CB-O 3.47Å; V237-A239 HydrophobicContact CG1-CB 3.98Å; V237-A239 PolarHBondContact O-N 2.88Å
240G46.7Very low52.4Low52 Ų5277.8 Ų77.854%0.53649%0.489SS..  trans-58.7151.5-179.300000111.8A242G240-A242 PolarHBondContact O-N 3.1Å
241P41.9Very low51.8Low100 Ų10079 Ų7965%0.64950%0.498SS*.THydrogen-bonded Turntrans-68.415.1-173.127.3-35.1000115.4
242A44.1Very low51.1Low91 Ų9176.9 Ų76.975%0.75249%0.489SS*.THydrogen-bonded Turntrans-125.830.4-175.400000113.2G240G240-A242 PolarHBondContact O-N 3.1Å
243G43.6Very low50.6Low43 Ų4372.8 Ų72.844%0.44347%0.467SS..  trans-111.36.5-160.400000119.2Q245 Q246G243-Q245 PolarHBondContact O-N 3.05Å; G243-Q246 PolarHBondContact O-N 2.81Å
244G41.5Very low50.1Low75 Ų7574.6 Ų74.677%0.77348%0.477SS*.THydrogen-bonded Turntrans-66.4-19.5-177.600000115.1
245Q42.7Very low49.7Very low165 Ų16572.5 Ų72.577%0.77147%0.465SS*.THydrogen-bonded Turntrans-133.137.1176.3-15978.9-0.500110.2G243 V247G243-Q245 PolarHBondContact O-N 3.05Å; Q245-V247 PolarHBondContact O-N 3.41Å
246Q44.2Very low49.6Very low93 Ų9372 Ų7244%0.43546%0.46SS..  trans-76.389.3156.5-63-109.9-7900104.2G243 D248 G302G243-Q246 PolarHBondContact O-N 2.81Å; Q246-D248 PolarHBondContact O-N 3.18Å; Q246-G302 PolarHBondContact NE2-O 3.43Å; Q246-G302 VanDerWaalsContact OE1-CA 3.22Å
247V49.4Very low49.6Very low58 Ų5866.9 Ų66.935%0.35243%0.433SS..  trans-45.2131170.4-179.40000106.4Q245 L249Q245-V247 PolarHBondContact O-N 3.41Å; V247-L249 HydrophobicContact CB-CD1 3.42Å; V247-L249 VanDerWaalsContact CB-CD1 3.42Å; V247-L249 HydrophobicContact CG1-CD1 3.51Å; V247-L249 WeakPolarHBondContact O-CD1 3.26Å; V247-L249 PolarHBondContact O-N 2.97Å
248D48.2Very low49.7Very low105 Ų10566.2 Ų66.256%0.56143%0.427SS*.  trans-69.966.2-175.4-175.418.4000110.6Q246 A250 S251 V252Q246-D248 PolarHBondContact O-N 3.18Å; D248-A250 PolarHBondContact O-N 3.39Å; D248-S251 PolarHBondContact O-N 2.64Å; D248-S251 PolarHBondContact OD1-N 3.35Å; D248-S251 WeakPolarHBondContact OD2-CB 3.3Å; D248-V252 PolarHBondContact O-N 3.32Å
249L54.2Low49.8Very low4 Ų464.7 Ų64.72%0.02142%0.421CS..Hα-helixtrans-67.4-19.3175.7-87.977.2000110.3V247 S251 V252 L253 L301 V335V247-L249 HydrophobicContact CB-CD1 3.42Å; V247-L249 VanDerWaalsContact CB-CD1 3.42Å; V247-L249 HydrophobicContact CG1-CD1 3.51Å; V247-L249 WeakPolarHBondContact O-CD1 3.26Å; V247-L249 PolarHBondContact O-N 2.97Å; L249-S251 VanDerWaalsContact C-N 3.3Å; L249-V252 PolarHBondContact O-N 2.77Å; L249-L253 WeakPolarHBondContact O-CB 3.33Å; L249-L253 PolarHBondContact O-N 2.91Å; L249-L301 HydrophobicContact CB-CD2 4.19Å; L249-V335 HydrophobicContact CD1-CG1 3.7Å; L249-V335 HydrophobicContact CD2-CG1 3.73Å; L249-V335 HydrophobicContact CG-CG1 4.32Å
250A54.9Low50Low41 Ų4167.5 Ų67.534%0.33944%0.436SS..Hα-helixtrans-66.8-33.9174.100000111.6D248 Q298 L301D248-A250 PolarHBondContact O-N 3.39Å; A250-Q298 HydrophobicContact CB-CG 4.26Å; A250-L301 HydrophobicContact CB-CD2 4.19Å
251S53.5Low50.4Low78 Ų7866.7 Ų66.755%0.54542%0.419SS..Hα-helixtrans-81.5-23.4172.9-172.70000113.6D248 L249D248-S251 PolarHBondContact O-N 2.64Å; D248-S251 PolarHBondContact OD1-N 3.35Å; D248-S251 WeakPolarHBondContact OD2-CB 3.3Å; L249-S251 VanDerWaalsContact C-N 3.3Å
252V57.5Low50.8Low43 Ų4363.3 Ų63.326%0.26140%0.395SS..Hα-helixtrans-94.7-37.8-175.6-178.90000112.8D248 L249 T254 I257 A339 Q343D248-V252 PolarHBondContact O-N 3.32Å; L249-V252 PolarHBondContact O-N 2.77Å; V252-T254 VanDerWaalsContact C-N 3.32Å; V252-T254 PolarHBondContact O-N 3.48Å; V252-I257 WeakPolarHBondContact O-CD1 3.42Å; V252-A339 HydrophobicContact CG1-CB 4.23Å; V252-Q343 HydrophobicContact CG1-CB 4.49Å
253L56.9Low51.2Low19 Ų1962.6 Ų62.610%0.09939%0.39CS..SBendtrans-86.373.4169.6-93.569.4000109.5L249 M258 L301L249-L253 WeakPolarHBondContact O-CB 3.33Å; L249-L253 PolarHBondContact O-N 2.91Å; L253-M258 HydrophobicContact CD2-CE 3.88Å; L253-M258 HydrophobicContact CD2-SD 4.02Å; L253-M258 HydrophobicContact CG-CE 4.3Å; L253-L301 HydrophobicContact CD2-CD1 4.42Å
254T55.2Low51.6Low58 Ų5864.2 Ų64.236%0.35639%0.388SS..  trans-60.3150.2172.354.40000111.6V252 E256 I257V252-T254 VanDerWaalsContact C-N 3.32Å; V252-T254 PolarHBondContact O-N 3.48Å; T254-E256 PolarHBondContact O-N 3.42Å; T254-I257 WeakPolarHBondContact O-CB 3.4Å; T254-I257 PolarHBondContact O-N 2.76Å; T254-I257 WeakPolarHBondContact OG1-CD1 3.49Å; T254-I257 WeakPolarHBondContact OG1-CG1 3.08Å
255P53Low52.1Low48 Ų4863.8 Ų63.831%0.31238%0.377SS..Hα-helixtrans-54.4-27.6-179.420.8-34.1000114.2I257 M258 A259 Q289 L292P255-I257 VanDerWaalsContact C-N 3.28Å; P255-I257 PolarHBondContact O-N 3.31Å; P255-M258 PolarHBondContact O-N 3.42Å; P255-A259 PolarHBondContact O-N 2.6Å; P255-Q289 HydrophobicContact CB-CG 4.29Å; P255-L292 HydrophobicContact CB-CD1 3.61Å
256E52.4Low52.4Low142 Ų14261.4 Ų61.466%0.66437%0.37SS*.Hα-helixtrans-59.9-33.9174.6-64.4-64.7137.800113.4T254T254-E256 PolarHBondContact O-N 3.42Å
257I56.3Low52.7Low39 Ų3957.7 Ų57.720%0.235%0.353CS..Hα-helixtrans-82.9-28.6-177-56.8156.7000110.4V252 T254 P255 M342 A346V252-I257 WeakPolarHBondContact O-CD1 3.42Å; T254-I257 WeakPolarHBondContact O-CB 3.4Å; T254-I257 PolarHBondContact O-N 2.76Å; T254-I257 WeakPolarHBondContact OG1-CD1 3.49Å; T254-I257 WeakPolarHBondContact OG1-CG1 3.08Å; P255-I257 VanDerWaalsContact C-N 3.28Å; P255-I257 PolarHBondContact O-N 3.31Å; I257-M342 HydrophobicContact CG2-CE 3.62Å; I257-A346 HydrophobicContact CD1-CB 4.35Å; I257-A346 HydrophobicContact CG1-CB 4.31Å
258M52.9Low52.6Low29 Ų2958.1 Ų58.114%0.14335%0.352CS..Hα-helixtrans-86.5-18.4176.7-66.7-7097.700112.6L253 P255 I261 L262 M342L253-M258 HydrophobicContact CD2-CE 3.88Å; L253-M258 HydrophobicContact CD2-SD 4.02Å; L253-M258 HydrophobicContact CG-CE 4.3Å; P255-M258 PolarHBondContact O-N 3.42Å; M258-I261 HydrophobicContact CE-CD1 4Å; M258-I261 CarbonylContact O-C 3.59Å; M258-I261 PolarHBondContact O-N 3.31Å; M258-I261 VanDerWaalsContact O-N 3.07Å; M258-L262 HydrophobicContact CB-CD1 3.65Å; M258-L262 HydrophobicContact CB-CG 4.27Å; M258-L262 VanDerWaalsContact O-CB 3.29Å; M258-L262 WeakPolarHBondContact O-CB 3.35Å; M258-L262 WeakPolarHBondContact O-CD1 3.48Å; M258-L262 VanDerWaalsContact O-CG 3.23Å; M258-L262 WeakPolarHBondContact O-CG 3.46Å; M258-L262 PolarHBondContact O-N 3.06Å; M258-M342 HydrophobicContact CE-CE 4.18Å
259A49.8Very low53Low43 Ų4359.8 Ų59.836%0.35536%0.356SS..Hα-helixtrans-52.1-46.3178.400000114.6P255 A263P255-A259 PolarHBondContact O-N 2.6Å; A259-A263 WeakPolarHBondContact O-CB 3.33Å; A259-A263 PolarHBondContact O-N 2.93Å
260P52Low52.9Low91 Ų9169 Ų6959%0.59139%0.391SS*.Hα-helixtrans-72.4-27.7175.726.9-33.9000113.7
261I53.3Low52.7Low36 Ų3670.5 Ų70.519%0.18539%0.393CS..Hα-helixtrans-74.4-37175.1-80.9-170000111.5M258 A263 N264 V267 L322M258-I261 HydrophobicContact CE-CD1 4Å; M258-I261 CarbonylContact O-C 3.59Å; M258-I261 PolarHBondContact O-N 3.31Å; M258-I261 VanDerWaalsContact O-N 3.07Å; I261-A263 VanDerWaalsContact C-N 3.32Å; I261-N264 PolarHBondContact O-N 2.97Å; I261-V267 HydrophobicContact CG2-CG1 4.34Å; I261-L322 HydrophobicContact CD1-CD2 4.06Å
262L51.7Low52.5Low28 Ų2871 Ų7115%0.14739%0.388CS..Hα-helixtrans-78.2-17177.3-69.5161.2000112.4M258 N264 Q268 L271 I288 L292M258-L262 HydrophobicContact CB-CD1 3.65Å; M258-L262 HydrophobicContact CB-CG 4.27Å; M258-L262 VanDerWaalsContact O-CB 3.29Å; M258-L262 WeakPolarHBondContact O-CB 3.35Å; M258-L262 WeakPolarHBondContact O-CD1 3.48Å; M258-L262 VanDerWaalsContact O-CG 3.23Å; M258-L262 WeakPolarHBondContact O-CG 3.46Å; M258-L262 PolarHBondContact O-N 3.06Å; L262-N264 PolarHBondContact O-N 3.33Å; L262-Q268 PolarHBondContact O-NE2 3.12Å; L262-L271 HydrophobicContact CD2-CD1 4.04Å; L262-I288 HydrophobicContact CD1-CG2 3.69Å; L262-I288 HydrophobicContact CD2-CG2 4.01Å; L262-I288 HydrophobicContact CG-CG2 4.36Å; L262-L292 HydrophobicContact CD1-CD1 3.86Å; L262-L292 HydrophobicContact CD1-CD2 4.4Å
263A51.2Low52.5Low76 Ų7673.3 Ų73.363%0.62841%0.405SS*.THydrogen-bonded Turntrans-75.4-10.1172.500000113.5A259 I261A259-A263 WeakPolarHBondContact O-CB 3.33Å; A259-A263 PolarHBondContact O-N 2.93Å; I261-A263 VanDerWaalsContact C-N 3.32Å
264N53Low52Low77 Ų7782 Ų8241%0.41244%0.438SS..  trans-87.2123.8-176.1-165.1-41000111I261 L262 D266 V267 Q268I261-N264 PolarHBondContact O-N 2.97Å; L262-N264 PolarHBondContact O-N 3.33Å; N264-D266 VanDerWaalsContact C-N 3.27Å; N264-D266 PolarHBondContact O-N 3.42Å; N264-D266 PolarHBondContact OD1-N 2.92Å; N264-D266 PolarHBondContact OD1-OD2 2.89Å; N264-V267 HydrophobicContact CB-CB 4.5Å; N264-V267 HydrophobicContact CB-CG2 3.84Å; N264-V267 WeakPolarHBondContact O-CB 3.43Å; N264-V267 PolarHBondContact O-N 3.23Å; N264-V267 VanDerWaalsContact O-N 3.1Å; N264-Q268 PolarHBondContact O-N 2.91Å
265A51.7Low51.8Low66 Ų6683.5 Ų83.555%0.54544%0.443SS..Hα-helixtrans-61.1-32.4-172.900000113.2V267 E269A265-V267 VanDerWaalsContact C-N 3.3Å; A265-V267 PolarHBondContact O-N 3.29Å; A265-E269 PolarHBondContact O-N 3.06Å; A265-E269 VanDerWaalsContact O-N 3.08Å
266D48.9Very low51.4Low115 Ų11586.6 Ų86.662%0.61546%0.463SS*.Hα-helixtrans-68-30.9177.9-65.8-73.4000112.7N264 R270N264-D266 VanDerWaalsContact C-N 3.27Å; N264-D266 PolarHBondContact O-N 3.42Å; N264-D266 PolarHBondContact OD1-N 2.92Å; N264-D266 PolarHBondContact OD1-OD2 2.89Å; D266-R270 WeakPolarHBondContact O-CB 3.42Å; D266-R270 WeakPolarHBondContact O-CG 3.08Å; D266-R270 PolarHBondContact O-N 3.47Å
267V51.6Low50.6Low15 Ų1585.8 Ų85.89%0.09147%0.473CS..Hα-helixtrans-79.3-38.6-178.2-1730000110.1I261 N264 A265 R270 L271 F320I261-V267 HydrophobicContact CG2-CG1 4.34Å; N264-V267 HydrophobicContact CB-CB 4.5Å; N264-V267 HydrophobicContact CB-CG2 3.84Å; N264-V267 WeakPolarHBondContact O-CB 3.43Å; N264-V267 PolarHBondContact O-N 3.23Å; N264-V267 VanDerWaalsContact O-N 3.1Å; A265-V267 VanDerWaalsContact C-N 3.3Å; A265-V267 PolarHBondContact O-N 3.29Å; V267-R270 PolarHBondContact O-N 3.3Å; V267-L271 HydrophobicContact CG1-CD1 3.76Å; V267-L271 HydrophobicContact CG1-CG 4.35Å; V267-L271 VanDerWaalsContact O-CB 3.3Å; V267-L271 WeakPolarHBondContact O-CB 3.11Å; V267-L271 WeakPolarHBondContact O-CD1 3.23Å; V267-L271 VanDerWaalsContact O-CG 3.24Å; V267-L271 WeakPolarHBondContact O-CG 3.45Å; V267-L271 PolarHBondContact O-N 3.27Å; V267-F320 HydrophobicContact CB-CE1 4.28Å; V267-F320 HydrophobicContact CG1-CE1 3.95Å; V267-F320 HydrophobicContact CG2-CD1 3.99Å; V267-F320 HydrophobicContact CG2-CE1 3.39Å; V267-F320 HydrophobicContact CG2-CZ 4.39Å
268Q47.5Very low49.4Very low68 Ų6887.3 Ų87.332%0.31850%0.498SS..Hα-helixtrans-63.1-43172-65-179.80.300111.1L262 N264 R270 L271 L272L262-Q268 PolarHBondContact O-NE2 3.12Å; N264-Q268 PolarHBondContact O-N 2.91Å; Q268-R270 VanDerWaalsContact C-N 3.3Å; Q268-R270 PolarHBondContact O-N 2.72Å; Q268-L271 PolarHBondContact O-N 2.58Å; Q268-L272 VanDerWaalsContact O-CG 3.26Å; Q268-L272 WeakPolarHBondContact O-CG 3.36Å; Q268-L272 PolarHBondContact O-N 3.08Å
269E54.8Low48.7Very low140 Ų14094.6 Ų94.665%0.65453%0.532SS*.Hα-helixtrans-64.3-31.9175.7-88.3-146.4120.500113.8A265 P273A265-E269 PolarHBondContact O-N 3.06Å; A265-E269 VanDerWaalsContact O-N 3.08Å; E269-P273 VanDerWaalsContact O-CD 3.23Å; E269-P273 WeakPolarHBondContact O-CD 3.47Å
270R52.4Low48.1Very low198 Ų19897.4 Ų97.475%0.74755%0.549SS*.Hα-helixtrans-89-21.2-179.9-70.4-71.9173.1138.9-1.5114.1D266 V267 Q268 P273 Y274D266-R270 WeakPolarHBondContact O-CB 3.42Å; D266-R270 WeakPolarHBondContact O-CG 3.08Å; D266-R270 PolarHBondContact O-N 3.47Å; V267-R270 PolarHBondContact O-N 3.3Å; Q268-R270 VanDerWaalsContact C-N 3.3Å; Q268-R270 PolarHBondContact O-N 2.72Å; R270-P273 WeakPolarHBondContact O-CD 3.38Å; R270-Y274 WeakPolarHBondContact O-CD2 3.38Å
271L50.7Low47.2Very low72 Ų7299.9 Ų99.938%0.37756%0.557SS.*Hα-helixtrans-80.2-28.9170.6-75.7166.6000112.4L262 V267 Q268 Y274 L275L262-L271 HydrophobicContact CD2-CD1 4.04Å; V267-L271 HydrophobicContact CG1-CD1 3.76Å; V267-L271 HydrophobicContact CG1-CG 4.35Å; V267-L271 VanDerWaalsContact O-CB 3.3Å; V267-L271 WeakPolarHBondContact O-CB 3.11Å; V267-L271 WeakPolarHBondContact O-CD1 3.23Å; V267-L271 VanDerWaalsContact O-CG 3.24Å; V267-L271 WeakPolarHBondContact O-CG 3.45Å; V267-L271 PolarHBondContact O-N 3.27Å; Q268-L271 PolarHBondContact O-N 2.58Å; L271-Y274 PolarHBondContact O-N 3.02Å; L271-Y274 VanDerWaalsContact O-N 3.1Å; L271-L275 WeakPolarHBondContact O-CG 3.33Å; L271-L275 PolarHBondContact O-N 3.1Å; L271-L275 VanDerWaalsContact O-N 3.13Å
272L50.2Low46.6Very low87 Ų87102.6 Ų102.646%0.45558%0.577SS.*THydrogen-bonded Turntrans-47.8-46.4175.9-90.3173.7000114.7Q268Q268-L272 VanDerWaalsContact O-CG 3.26Å; Q268-L272 WeakPolarHBondContact O-CG 3.36Å; Q268-L272 PolarHBondContact O-N 3.08Å
273P57.5Low46.3Very low93 Ų93107 Ų10760%0.60460%0.596SS**THydrogen-bonded Turntrans-80.1-11.218026.5-33.2000115.4E269 R270E269-P273 VanDerWaalsContact O-CD 3.23Å; E269-P273 WeakPolarHBondContact O-CD 3.47Å; R270-P273 WeakPolarHBondContact O-CD 3.38Å
274Y46.8Very low46.3Very low202 Ų202106.5 Ų106.579%0.79259%0.586SS**THydrogen-bonded Turntrans-109.6-3.6-177.8-67.7-76.3000114R270 L271R270-Y274 WeakPolarHBondContact O-CD2 3.38Å; L271-Y274 PolarHBondContact O-N 3.02Å; L271-Y274 VanDerWaalsContact O-N 3.1Å
275L51.1Low46.2Very low89 Ų89106 Ų10647%0.46659%0.592SS.*SBendtrans-80.4128.9171.3-76.2168.8000110L271 S277L271-L275 WeakPolarHBondContact O-CG 3.33Å; L271-L275 PolarHBondContact O-N 3.1Å; L271-L275 VanDerWaalsContact O-N 3.13Å; L275-S277 PolarHBondContact O-N 3.1Å
276P44Very low46.3Very low113 Ų113108 Ų10873%0.73459%0.594SS**  trans-58.8116.7174.124.5-31.8000108.3G278P276-G278 PolarHBondContact O-N 2.94Å
277S36.4Very low46.6Very low125 Ų125106.8 Ų106.887%0.87458%0.584SS**  trans-68.398.8-166.2-44.70000110.8L275L275-S277 PolarHBondContact O-N 3.1Å
278G30.1Very low46.9Very low71 Ų71108 Ų10873%0.73259%0.59SS**  trans-99.4107.1160.900000108.8P276 S280P276-G278 PolarHBondContact O-N 2.94Å; G278-S280 PolarHBondContact O-N 3.03Å
279E37.8Very low47.1Very low182 Ų182108.1 Ų108.185%0.8559%0.59SS**  trans-22.6118.3172.1-156.7115.37100116.7
280S37.8Very low47.2Very low102 Ų102106.2 Ų106.271%0.71359%0.585SS**  trans45.689.4151.3640000119.4G278G278-S280 PolarHBondContact O-N 3.03Å
281L32.6Very low47.7Very low143 Ų14399.8 Ų99.875%0.74957%0.568SS**  trans-151.4149.2151.5-135.2100.2000109.4Q283L281-Q283 PolarHBondContact O-N 3.5Å
282P41.3Very low48Very low93 Ų9397.4 Ų97.460%0.60456%0.555SS**  trans-66.6132-166.127.3-29.6000111.3T284P282-T284 VanDerWaalsContact C-N 3.29Å; P282-T284 PolarHBondContact O-N 3.18Å
283Q45.5Very low48.2Very low119 Ų11998.2 Ų98.256%0.55656%0.564SS**  trans-69.781.6179-62.8170.2-49.800109.9L281L281-Q283 PolarHBondContact O-N 3.5Å
284T51.6Low48.5Very low67 Ų6795.5 Ų95.541%0.41155%0.547SS..  trans-104148.4173.854.70000109.3P282 D286 E287 I288P282-T284 VanDerWaalsContact C-N 3.29Å; P282-T284 PolarHBondContact O-N 3.18Å; T284-D286 PolarHBondContact O-N 3.07Å; T284-D286 VanDerWaalsContact O-N 3.07Å; T284-E287 PolarHBondContact O-N 3.05Å; T284-E287 VanDerWaalsContact O-N 3.11Å; T284-I288 PolarHBondContact O-N 3.18Å
285A49.5Very low49Very low67 Ų6787.9 Ų87.955%0.55452%0.523SS*.Hα-helixtrans-53.3-31.3-176.200000112.9I288 Q289A285-I288 PolarHBondContact O-N 3.13Å; A285-Q289 WeakPolarHBondContact O-CG 3.25Å; A285-Q289 PolarHBondContact O-N 2.85Å
286D54.2Low49.2Very low107 Ų10789.2 Ų89.257%0.57253%0.526SS*.Hα-helixtrans-70.5-38.6179.5-58.1-81.8000113.8T284 I288 Q289 N290T284-D286 PolarHBondContact O-N 3.07Å; T284-D286 VanDerWaalsContact O-N 3.07Å; D286-I288 VanDerWaalsContact C-N 3.33Å; D286-Q289 WeakPolarHBondContact O-CB 3.49Å; D286-Q289 PolarHBondContact O-N 3.37Å; D286-N290 PolarHBondContact O-N 3.45Å
287E55.9Low50Low89 Ų8986.7 Ų86.742%0.41650%0.504SS..Hα-helixtrans-75.1-27.2176.1-77.8-67.7111.500111.7T284 N290 T291T284-E287 PolarHBondContact O-N 3.05Å; T284-E287 VanDerWaalsContact O-N 3.11Å; E287-N290 PolarHBondContact O-N 3Å; E287-N290 PolarHBondContact OE1-ND2 3.38Å; E287-T291 WeakPolarHBondContact O-CB 3.49Å; E287-T291 PolarHBondContact O-N 3.1Å; E287-T291 PolarHBondContact O-OG1 3.26Å
288I56.5Low51.4Low40 Ų4083 Ų8321%0.20547%0.473CS..Hα-helixtrans-66-42.1168.4-59.8170.5000109.3L262 T284 A285 D286 N290 T291 L292L262-I288 HydrophobicContact CD1-CG2 3.69Å; L262-I288 HydrophobicContact CD2-CG2 4.01Å; L262-I288 HydrophobicContact CG-CG2 4.36Å; T284-I288 PolarHBondContact O-N 3.18Å; A285-I288 PolarHBondContact O-N 3.13Å; D286-I288 VanDerWaalsContact C-N 3.33Å; I288-N290 PolarHBondContact O-N 3.11Å; I288-T291 CarbonylContact O-C 3.5Å; I288-T291 WeakPolarHBondContact O-CA 2.99Å; I288-T291 WeakPolarHBondContact O-CB 3.08Å; I288-T291 PolarHBondContact O-N 3.3Å; I288-L292 HydrophobicContact CG2-CD1 4.4Å; I288-L292 HydrophobicContact CG2-CG 4.31Å; I288-L292 VanDerWaalsContact O-CG 3.22Å; I288-L292 WeakPolarHBondContact O-CG 3.33Å; I288-L292 PolarHBondContact O-N 3.5Å
289Q53.4Low52.8Low71 Ų7184.5 Ų84.533%0.33246%0.461SS..Hα-helixtrans-62.4-39.6174-71179.512.900113.5P255 A285 D286 T291 L292 T293P255-Q289 HydrophobicContact CB-CG 4.29Å; A285-Q289 WeakPolarHBondContact O-CG 3.25Å; A285-Q289 PolarHBondContact O-N 2.85Å; D286-Q289 WeakPolarHBondContact O-CB 3.49Å; D286-Q289 PolarHBondContact O-N 3.37Å; Q289-T291 VanDerWaalsContact C-N 3.29Å; Q289-T291 PolarHBondContact O-N 3.42Å; Q289-L292 PolarHBondContact O-N 3.29Å; Q289-T293 PolarHBondContact O-N 2.79Å; Q289-T293 PolarHBondContact O-OG1 2.98Å; Q289-T293 VanDerWaalsContact O-OG1 3.06Å
290N55.1Low53.8Low100 Ų10077.9 Ų77.954%0.53544%0.437SS..Hα-helixtrans-62.5-38170.9-79.4-25.2000111.6D286 E287 I288 T293 S294D286-N290 PolarHBondContact O-N 3.45Å; E287-N290 PolarHBondContact O-N 3Å; E287-N290 PolarHBondContact OE1-ND2 3.38Å; I288-N290 PolarHBondContact O-N 3.11Å; N290-T293 PolarHBondContact O-N 2.95Å; N290-S294 PolarHBondContact O-N 2.93Å
291T63.2Low54.9Low63 Ų6373.7 Ų73.739%0.38741%0.407SS..Hα-helixtrans-70.2-36.1175.8-560000112.5E287 I288 Q289 T293 S294 F297E287-T291 WeakPolarHBondContact O-CB 3.49Å; E287-T291 PolarHBondContact O-N 3.1Å; E287-T291 PolarHBondContact O-OG1 3.26Å; I288-T291 CarbonylContact O-C 3.5Å; I288-T291 WeakPolarHBondContact O-CA 2.99Å; I288-T291 WeakPolarHBondContact O-CB 3.08Å; I288-T291 PolarHBondContact O-N 3.3Å; Q289-T291 VanDerWaalsContact C-N 3.29Å; Q289-T291 PolarHBondContact O-N 3.42Å; T291-T293 PolarHBondContact O-N 3.41Å; T291-S294 WeakPolarHBondContact O-CA 3.19Å; T291-S294 WeakPolarHBondContact O-CB 3.41Å; T291-S294 PolarHBondContact O-N 3.15Å; T291-F297 WeakPolarHBondContact O-CB 3.33Å
292L57.5Low56.3Low22 Ų2267.3 Ų67.312%0.11538%0.375CS..Hα-helixtrans-62.8-29.5174.1-68.1172.8000111.8P255 L262 I288 Q289 S294 F297P255-L292 HydrophobicContact CB-CD1 3.61Å; L262-L292 HydrophobicContact CD1-CD1 3.86Å; L262-L292 HydrophobicContact CD1-CD2 4.4Å; I288-L292 HydrophobicContact CG2-CD1 4.4Å; I288-L292 HydrophobicContact CG2-CG 4.31Å; I288-L292 VanDerWaalsContact O-CG 3.22Å; I288-L292 WeakPolarHBondContact O-CG 3.33Å; I288-L292 PolarHBondContact O-N 3.5Å; Q289-L292 PolarHBondContact O-N 3.29Å; L292-S294 VanDerWaalsContact C-N 3.28Å; L292-F297 HydrophobicContact CB-CD1 4.35Å; L292-F297 HydrophobicContact CB-CE1 4.44Å; L292-F297 HydrophobicContact CD2-CD1 3.82Å; L292-F297 HydrophobicContact CD2-CD2 4Å; L292-F297 HydrophobicContact CD2-CE1 3.31Å; L292-F297 HydrophobicContact CD2-CE2 3.52Å; L292-F297 HydrophobicContact CD2-CG 4.15Å; L292-F297 HydrophobicContact CD2-CZ 3.15Å; L292-F297 HydrophobicContact CG-CE1 4.46Å; L292-F297 WeakPolarHBondContact O-CD1 3.17Å
293T55.3Low57.2Low105 Ų10569.3 Ų69.364%0.64438%0.378SS*.THydrogen-bonded Turntrans-82.3-8.4173.6-50.40000112.1Q289 N290 T291Q289-T293 PolarHBondContact O-N 2.79Å; Q289-T293 PolarHBondContact O-OG1 2.98Å; Q289-T293 VanDerWaalsContact O-OG1 3.06Å; N290-T293 PolarHBondContact O-N 2.95Å; T291-T293 PolarHBondContact O-N 3.41Å
294S64.1Low58Low36 Ų3667.1 Ų67.125%0.25237%0.367SS..SBendtrans-82.6140.1-174.8-153.30000112.1N290 T291 L292 Q296 F297 Q298N290-S294 PolarHBondContact O-N 2.93Å; T291-S294 WeakPolarHBondContact O-CA 3.19Å; T291-S294 WeakPolarHBondContact O-CB 3.41Å; T291-S294 PolarHBondContact O-N 3.15Å; L292-S294 VanDerWaalsContact C-N 3.28Å; S294-Q296 PolarHBondContact O-N 3.16Å; S294-Q296 VanDerWaalsContact O-N 3.1Å; S294-Q296 PolarHBondContact OG-OE1 2.94Å; S294-F297 PolarHBondContact O-N 3.43Å; S294-Q298 PolarHBondContact O-N 2.82Å
295P55.8Low58.6Low42 Ų4264.4 Ų64.427%0.27335%0.351SS..Hα-helixtrans-57.6-28.5-178.7-26.334.5000114.7Q298 Q299P295-Q298 PolarHBondContact O-N 2.89Å; P295-Q299 WeakPolarHBondContact O-CG 3.29Å; P295-Q299 PolarHBondContact O-N 2.9Å; P295-Q299 VanDerWaalsContact O-N 3.08Å
296Q56.3Low59.2Low116 Ų11663.9 Ų63.954%0.54235%0.346SS..Hα-helixtrans-69.2-34.6178.5-58.781.4-0.700111.6S294 Q299 A300S294-Q296 PolarHBondContact O-N 3.16Å; S294-Q296 VanDerWaalsContact O-N 3.1Å; S294-Q296 PolarHBondContact OG-OE1 2.94Å; Q296-Q299 PolarHBondContact O-N 2.82Å; Q296-A300 PolarHBondContact O-N 3.06Å
297F60.4Low59.8Low60 Ų6060.3 Ų60.326%0.26333%0.331SS..Hα-helixtrans-70.8-39.1173.3178.9-97.7000111.2T291 L292 S294 Q299 A300 L301T291-F297 WeakPolarHBondContact O-CB 3.33Å; L292-F297 HydrophobicContact CB-CD1 4.35Å; L292-F297 HydrophobicContact CB-CE1 4.44Å; L292-F297 HydrophobicContact CD2-CD1 3.82Å; L292-F297 HydrophobicContact CD2-CD2 4Å; L292-F297 HydrophobicContact CD2-CE1 3.31Å; L292-F297 HydrophobicContact CD2-CE2 3.52Å; L292-F297 HydrophobicContact CD2-CG 4.15Å; L292-F297 HydrophobicContact CD2-CZ 3.15Å; L292-F297 HydrophobicContact CG-CE1 4.46Å; L292-F297 WeakPolarHBondContact O-CD1 3.17Å; S294-F297 PolarHBondContact O-N 3.43Å; F297-Q299 VanDerWaalsContact C-N 3.27Å; F297-Q299 PolarHBondContact O-N 2.94Å; F297-A300 CarbonylContact O-C 3.52Å; F297-A300 PolarHBondContact O-N 3.42Å; F297-A300 VanDerWaalsContact O-N 3.15Å; F297-L301 HydrophobicContact CE1-CB 4.36Å; F297-L301 HydrophobicContact CE1-CD2 4.27Å; F297-L301 HydrophobicContact CZ-CD1 4.37Å; F297-L301 WeakPolarHBondContact O-CB 3.28Å; F297-L301 PolarHBondContact O-N 2.82Å
298Q65.6Low60.1Low48 Ų4856 Ų5622%0.22431%0.312CS..Hα-helixtrans-59.4-39.2174.1-63.9177.8-21.700111.7T37 A250 S294 P295 L301 G302T37-Q298 PolarHBondContact OG1-NE2 3.41Å; T37-Q298 VanDerWaalsContact OG1-NE2 3.1Å; T37-Q298 PolarHBondContact OG1-OE1 3.05Å; A250-Q298 HydrophobicContact CB-CG 4.26Å; S294-Q298 PolarHBondContact O-N 2.82Å; P295-Q298 PolarHBondContact O-N 2.89Å; Q298-L301 PolarHBondContact O-N 2.86Å; Q298-G302 PolarHBondContact O-N 2.85Å
299Q60.3Low60.6Low103 Ų10356.6 Ų56.648%0.48132%0.322SS..Hα-helixtrans-65.5-43.5173.5-71.4179.6-9.100112.3P295 Q296 F297 L301 G302 M303P295-Q299 WeakPolarHBondContact O-CG 3.29Å; P295-Q299 PolarHBondContact O-N 2.9Å; P295-Q299 VanDerWaalsContact O-N 3.08Å; Q296-Q299 PolarHBondContact O-N 2.82Å; F297-Q299 VanDerWaalsContact C-N 3.27Å; F297-Q299 PolarHBondContact O-N 2.94Å; Q299-L301 VanDerWaalsContact C-N 3.34Å; Q299-G302 PolarHBondContact O-N 2.77Å; Q299-M303 WeakPolarHBondContact O-CG 3.3Å; Q299-M303 PolarHBondContact O-N 2.85Å
300A58.2Low61.4Low43 Ų4356.1 Ų56.136%0.35533%0.327SS..Hα-helixtrans-64-39.3175.200000112.1Q296 F297 G302 M303 F304Q296-A300 PolarHBondContact O-N 3.06Å; F297-A300 CarbonylContact O-C 3.52Å; F297-A300 PolarHBondContact O-N 3.42Å; F297-A300 VanDerWaalsContact O-N 3.15Å; A300-G302 VanDerWaalsContact C-N 3.31Å; A300-M303 HydrophobicContact CB-CE 4.45Å; A300-M303 PolarHBondContact O-N 2.76Å; A300-F304 WeakPolarHBondContact O-CB 3.3Å; A300-F304 PolarHBondContact O-N 3.41Å
301L61.5Low61.8Low14 Ų1452.1 Ų52.17%0.07331%0.309CS..Hα-helixtrans-66.1-35.6174.8-168.468.8000111.3L249 A250 L253 F297 Q298 Q299 F304 S305L249-L301 HydrophobicContact CB-CD2 4.19Å; A250-L301 HydrophobicContact CB-CD2 4.19Å; L253-L301 HydrophobicContact CD2-CD1 4.42Å; F297-L301 HydrophobicContact CE1-CB 4.36Å; F297-L301 HydrophobicContact CE1-CD2 4.27Å; F297-L301 HydrophobicContact CZ-CD1 4.37Å; F297-L301 WeakPolarHBondContact O-CB 3.28Å; F297-L301 PolarHBondContact O-N 2.82Å; Q298-L301 PolarHBondContact O-N 2.86Å; Q299-L301 VanDerWaalsContact C-N 3.34Å; L301-F304 HydrophobicContact CD1-CD1 4.24Å; L301-F304 PolarHBondContact O-N 2.82Å; L301-S305 WeakPolarHBondContact O-CB 3.39Å; L301-S305 PolarHBondContact O-N 3.39Å
302G61Low61.8Low8 Ų856.3 Ų56.38%0.08233%0.325CS..Hα-helixtrans-63-40.9170.900000113Q246 Q298 Q299 A300 A306Q246-G302 PolarHBondContact NE2-O 3.43Å; Q246-G302 VanDerWaalsContact OE1-CA 3.22Å; Q298-G302 PolarHBondContact O-N 2.85Å; Q299-G302 PolarHBondContact O-N 2.77Å; A300-G302 VanDerWaalsContact C-N 3.31Å; G302-A306 PolarHBondContact O-N 3.03Å; G302-A306 VanDerWaalsContact O-N 3.1Å
303M61.1Low62.1Low135 Ų13556.6 Ų56.667%0.66533%0.326SS*.Hα-helixtrans-69.6-38.3172.8-66.3-171.6-67.200112Q299 A300 A306 A307Q299-M303 WeakPolarHBondContact O-CG 3.3Å; Q299-M303 PolarHBondContact O-N 2.85Å; A300-M303 HydrophobicContact CB-CE 4.45Å; A300-M303 PolarHBondContact O-N 2.76Å; M303-A306 WeakPolarHBondContact O-CB 3.29Å; M303-A306 PolarHBondContact O-N 3.46Å; M303-A307 WeakPolarHBondContact O-CB 3.38Å; M303-A307 PolarHBondContact O-N 2.71Å
304F61.9Low62.5Low73 Ų7351.6 Ų51.632%0.3230%0.295SS..Hα-helixtrans-64.6-42.1174.6177.4-93.4000111.5A300 L301 A306 A307 L308 L313 M317A300-F304 WeakPolarHBondContact O-CB 3.3Å; A300-F304 PolarHBondContact O-N 3.41Å; L301-F304 HydrophobicContact CD1-CD1 4.24Å; L301-F304 PolarHBondContact O-N 2.82Å; F304-A306 VanDerWaalsContact C-N 3.28Å; F304-A306 PolarHBondContact O-N 3.27Å; F304-A307 CarbonylContact O-C 3.58Å; F304-A307 PolarHBondContact O-N 2.88Å; F304-L308 HydrophobicContact CE1-CD2 4.48Å; F304-L308 VanDerWaalsContact O-CB 3.28Å; F304-L308 WeakPolarHBondContact O-CB 3.44Å; F304-L308 PolarHBondContact O-N 2.79Å; F304-L313 HydrophobicContact CD2-CD1 3.59Å; F304-L313 HydrophobicContact CE2-CD1 3.54Å; F304-L313 HydrophobicContact CE2-CD2 3.97Å; F304-L313 HydrophobicContact CE2-CG 4.37Å; F304-L313 HydrophobicContact CG-CD1 4.29Å; F304-L313 HydrophobicContact CZ-CD1 4.19Å; F304-M317 HydrophobicContact CE1-CE 4.13Å; F304-M317 HydrophobicContact CE2-CE 4.1Å; F304-M317 HydrophobicContact CZ-CE 3.4Å; F304-M317 VanDerWaalsContact CZ-CE 3.4Å
305S64.4Low62.5Low11 Ų1154 Ų548%0.07731%0.31CS..Hα-helixtrans-61.8-38173.7-177.10000111.2L301 L308 A309L301-S305 WeakPolarHBondContact O-CB 3.39Å; L301-S305 PolarHBondContact O-N 3.39Å; S305-L308 PolarHBondContact O-N 2.92Å; S305-A309 VanDerWaalsContact O-CB 3.29Å; S305-A309 WeakPolarHBondContact O-CB 3.26Å; S305-A309 PolarHBondContact O-N 2.97Å
306A62.6Low62.8Low55 Ų5556.2 Ų56.246%0.45532%0.319SS..Hα-helixtrans-68.3-38.3174.700000112.1G302 M303 F304 A309 S310G302-A306 PolarHBondContact O-N 3.03Å; G302-A306 VanDerWaalsContact O-N 3.1Å; M303-A306 WeakPolarHBondContact O-CB 3.29Å; M303-A306 PolarHBondContact O-N 3.46Å; F304-A306 VanDerWaalsContact C-N 3.28Å; F304-A306 PolarHBondContact O-N 3.27Å; A306-A309 PolarHBondContact O-N 3.2Å; A306-S310 PolarHBondContact O-N 3.14Å
307A65.1Low63.2Low32 Ų3250.9 Ų50.926%0.26429%0.294SS..Hα-helixtrans-73.6-25.7174.300000113.2M303 F304 S310 L313M303-A307 WeakPolarHBondContact O-CB 3.38Å; M303-A307 PolarHBondContact O-N 2.71Å; F304-A307 CarbonylContact O-C 3.58Å; F304-A307 PolarHBondContact O-N 2.88Å; A307-S310 WeakPolarHBondContact CA-OG 3.11Å; A307-S310 PolarHBondContact O-OG 3.42Å; A307-L313 HydrophobicContact CB-CD1 3.65Å
308L62.7Low63.3Low0 Ų051.4 Ų51.40%031%0.305CS..Hα-helixtrans-75-43.3171.8179.859.9000109.8F304 S305 S310 G311 L313 M317 A330 G333 V335 F338F304-L308 HydrophobicContact CE1-CD2 4.48Å; F304-L308 VanDerWaalsContact O-CB 3.28Å; F304-L308 WeakPolarHBondContact O-CB 3.44Å; F304-L308 PolarHBondContact O-N 2.79Å; S305-L308 PolarHBondContact O-N 2.92Å; L308-S310 PolarHBondContact O-N 2.76Å; L308-G311 WeakPolarHBondContact O-CA 3.31Å; L308-G311 PolarHBondContact O-N 3.28Å; L308-L313 HydrophobicContact CB-CD1 4.44Å; L308-L313 HydrophobicContact CD1-CB 4.44Å; L308-M317 HydrophobicContact CD1-CE 3.45Å; L308-M317 VanDerWaalsContact CD1-CE 3.45Å; L308-M317 HydrophobicContact CD1-SD 3.8Å; L308-M317 HydrophobicContact CG-CE 4.46Å; L308-A330 HydrophobicContact CD1-CB 3.49Å; L308-A330 VanDerWaalsContact CD1-CB 3.49Å; L308-G333 WeakPolarHBondContact O-CA 3.24Å; L308-V335 HydrophobicContact CB-CG2 4.41Å; L308-V335 HydrophobicContact CD2-CG1 4.32Å; L308-V335 HydrophobicContact CD2-CG2 4.42Å; L308-V335 HydrophobicContact CG-CG2 4.21Å; L308-F338 HydrophobicContact CD2-CB 4.35Å; L308-F338 HydrophobicContact CD2-CD1 3.51Å; L308-F338 HydrophobicContact CD2-CD2 4.38Å; L308-F338 HydrophobicContact CD2-CE1 3.82Å; L308-F338 HydrophobicContact CD2-CG 3.82Å; L308-F338 HydrophobicContact CD2-CZ 4.39Å
309A67.1Low63.2Low52 Ų5257 Ų5743%0.4333%0.33SS..Hα-helixtrans-59.6-29.3172.800000112.2S305 A306 G311 G333 V335S305-A309 VanDerWaalsContact O-CB 3.29Å; S305-A309 WeakPolarHBondContact O-CB 3.26Å; S305-A309 PolarHBondContact O-N 2.97Å; A306-A309 PolarHBondContact O-N 3.2Å; A309-G311 PolarHBondContact O-N 3.28Å; A309-G333 WeakPolarHBondContact O-CA 3.37Å; A309-V335 HydrophobicContact CB-CG2 3.6Å
310S69.3Low63.4Low60 Ų6055.9 Ų55.942%0.4232%0.324SS..THydrogen-bonded Turntrans-76.2-4.6174.477.40000113.7A306 A307 L308 Q312A306-S310 PolarHBondContact O-N 3.14Å; A307-S310 WeakPolarHBondContact CA-OG 3.11Å; A307-S310 PolarHBondContact O-OG 3.42Å; L308-S310 PolarHBondContact O-N 2.76Å; S310-Q312 PolarHBondContact O-N 3.04Å; S310-Q312 WeakPolarHBondContact OG-CG 3.41Å; S310-Q312 PolarHBondContact OG-OE1 3.48Å
311G63.8Low63.4Low17 Ų1757.1 Ų57.118%0.17534%0.341CS..THydrogen-bonded Turntrans72.2-0.4179.600000114.5L308 A309 L313 G314 A330L308-G311 WeakPolarHBondContact O-CA 3.31Å; L308-G311 PolarHBondContact O-N 3.28Å; A309-G311 PolarHBondContact O-N 3.28Å; G311-L313 VanDerWaalsContact C-N 3.3Å; G311-L313 PolarHBondContact O-N 3.26Å; G311-G314 PolarHBondContact O-N 2.84Å; G311-A330 WeakPolarHBondContact CA-O 3.46Å
312Q64.8Low63.8Low151 Ų15157.9 Ų57.971%0.70635%0.345SS*.THydrogen-bonded Turntrans-74.6-22.1-172.9-68.6175.1-9.600113S310S310-Q312 PolarHBondContact O-N 3.04Å; S310-Q312 WeakPolarHBondContact OG-CG 3.41Å; S310-Q312 PolarHBondContact OG-OE1 3.48Å
313L62.5Low64.2Low28 Ų2859.4 Ų59.415%0.14735%0.354CS..THydrogen-bonded Turntrans-85.7-11.8176.9-81.5155000113.2F304 A307 L308 G311 L316 M317F304-L313 HydrophobicContact CD2-CD1 3.59Å; F304-L313 HydrophobicContact CE2-CD1 3.54Å; F304-L313 HydrophobicContact CE2-CD2 3.97Å; F304-L313 HydrophobicContact CE2-CG 4.37Å; F304-L313 HydrophobicContact CG-CD1 4.29Å; F304-L313 HydrophobicContact CZ-CD1 4.19Å; A307-L313 HydrophobicContact CB-CD1 3.65Å; L308-L313 HydrophobicContact CB-CD1 4.44Å; L308-L313 HydrophobicContact CD1-CB 4.44Å; G311-L313 VanDerWaalsContact C-N 3.3Å; G311-L313 PolarHBondContact O-N 3.26Å; L313-L316 HydrophobicContact CD2-CB 4.26Å; L313-L316 HydrophobicContact CD2-CD1 3.69Å; L313-L316 WeakPolarHBondContact O-CA 3.35Å; L313-L316 VanDerWaalsContact O-CB 3.25Å; L313-L316 WeakPolarHBondContact O-CB 3.12Å; L313-L316 PolarHBondContact O-N 3.36Å; L313-M317 HydrophobicContact CB-CE 3.54Å; L313-M317 HydrophobicContact CB-SD 3.54Å; L313-M317 VanDerWaalsContact CB-SD 3.54Å; L313-M317 HydrophobicContact CD1-CE 4.38Å; L313-M317 HydrophobicContact CD2-CE 4.48Å; L313-M317 HydrophobicContact CG-CE 4.36Å; L313-M317 PolarHBondContact O-N 3.38Å
314G63.4Low64.8Low0 Ų057 Ų570%036%0.355CS..Hα-helixtrans-49.1-44.9-176.500000115.8G311 L316 M317 C318 N331G311-G314 PolarHBondContact O-N 2.84Å; G314-L316 VanDerWaalsContact C-N 3.3Å; G314-L316 PolarHBondContact O-N 3.5Å; G314-M317 PolarHBondContact O-N 2.99Å; G314-C318 PolarHBondContact O-N 3.08Å; G314-N331 WeakPolarHBondContact CA-OD1 3.42Å
315P65.5Low65.2Low85 Ų8560 Ų6055%0.55237%0.37SS*.Hα-helixtrans-65.9-29.8175.3-2334.4000113.8C318 Q319P315-C318 WeakPolarHBondContact O-CB 3.13Å; P315-Q319 PolarHBondContact O-N 3.38Å
316L62.2Low65.5Low90 Ų9059.5 Ų59.547%0.47137%0.366SS..Hα-helixtrans-68.8-43.4172.9-87.9159.7000109.9L313 G314 C318 Q319 F320L313-L316 HydrophobicContact CD2-CB 4.26Å; L313-L316 HydrophobicContact CD2-CD1 3.69Å; L313-L316 WeakPolarHBondContact O-CA 3.35Å; L313-L316 VanDerWaalsContact O-CB 3.25Å; L313-L316 WeakPolarHBondContact O-CB 3.12Å; L313-L316 PolarHBondContact O-N 3.36Å; G314-L316 VanDerWaalsContact C-N 3.3Å; G314-L316 PolarHBondContact O-N 3.5Å; L316-C318 VanDerWaalsContact C-N 3.29Å; L316-C318 PolarHBondContact O-N 3.16Å; L316-Q319 CarbonylContact O-C 3.55Å; L316-Q319 WeakPolarHBondContact O-CA 3.28Å; L316-Q319 WeakPolarHBondContact O-CB 3.28Å; L316-Q319 PolarHBondContact O-N 3.49Å; L316-F320 VanDerWaalsContact C-CD2 3.46Å; L316-F320 HydrophobicContact CB-CD2 4.31Å; L316-F320 HydrophobicContact CB-CE2 4.02Å; L316-F320 HydrophobicContact CD2-CE2 4.15Å; L316-F320 WeakPolarHBondContact O-CD2 3.43Å; L316-F320 PolarHBondContact O-N 3.18Å
317M63.3Low65.9Low4 Ų457.6 Ų57.62%0.0235%0.349CS..Hα-helixtrans-60.2-34176.1-75.191.7-169.700113.8F304 L308 L313 G314 Q319 F320 G321 L322 V327 A330 F338F304-M317 HydrophobicContact CE1-CE 4.13Å; F304-M317 HydrophobicContact CE2-CE 4.1Å; F304-M317 HydrophobicContact CZ-CE 3.4Å; F304-M317 VanDerWaalsContact CZ-CE 3.4Å; L308-M317 HydrophobicContact CD1-CE 3.45Å; L308-M317 VanDerWaalsContact CD1-CE 3.45Å; L308-M317 HydrophobicContact CD1-SD 3.8Å; L308-M317 HydrophobicContact CG-CE 4.46Å; L313-M317 HydrophobicContact CB-CE 3.54Å; L313-M317 HydrophobicContact CB-SD 3.54Å; L313-M317 VanDerWaalsContact CB-SD 3.54Å; L313-M317 HydrophobicContact CD1-CE 4.38Å; L313-M317 HydrophobicContact CD2-CE 4.48Å; L313-M317 HydrophobicContact CG-CE 4.36Å; L313-M317 PolarHBondContact O-N 3.38Å; G314-M317 PolarHBondContact O-N 2.99Å; M317-Q319 VanDerWaalsContact C-N 3.3Å; M317-Q319 PolarHBondContact O-N 2.76Å; M317-F320 PolarHBondContact O-N 2.75Å; M317-G321 PolarHBondContact O-N 2.85Å; M317-L322 HydrophobicContact CB-CD1 3.91Å; M317-L322 HydrophobicContact CG-CD1 3.65Å; M317-L322 PolarHBondContact O-N 2.91Å; M317-V327 HydrophobicContact CB-CG2 4.16Å; M317-A330 HydrophobicContact CB-CB 4.23Å; M317-A330 HydrophobicContact CG-CB 3.96Å; M317-A330 HydrophobicContact SD-CB 3.69Å; M317-F338 HydrophobicContact CG-CE2 4.14Å
318C62.8Low66.4Low71 Ų7161.1 Ų61.148%0.4836%0.36SS..Hα-helixtrans-58.1-44169.8-66.20000111.5G314 P315 L316 F320 G321 V327G314-C318 PolarHBondContact O-N 3.08Å; P315-C318 WeakPolarHBondContact O-CB 3.13Å; L316-C318 VanDerWaalsContact C-N 3.29Å; L316-C318 PolarHBondContact O-N 3.16Å; C318-F320 VanDerWaalsContact C-N 3.33Å; C318-G321 PolarHBondContact O-N 3.33Å; C318-V327 HydrophobicContact CB-CG1 4.31Å; C318-V327 WeakPolarHBondContact SG-CG1 2.9Å
319Q63.3Low66.9Low164 Ų16461.5 Ų61.577%0.76636%0.363SS*.Hα-helixtrans-73-27.1-177.9-167.660.279.400112.5P315 L316 M317 G321P315-Q319 PolarHBondContact O-N 3.38Å; L316-Q319 CarbonylContact O-C 3.55Å; L316-Q319 WeakPolarHBondContact O-CA 3.28Å; L316-Q319 WeakPolarHBondContact O-CB 3.28Å; L316-Q319 PolarHBondContact O-N 3.49Å; M317-Q319 VanDerWaalsContact C-N 3.3Å; M317-Q319 PolarHBondContact O-N 2.76Å; Q319-G321 PolarHBondContact O-N 2.82Å
320F64.7Low67.3Low81 Ų8159 Ų5936%0.35534%0.343SS..THydrogen-bonded Turntrans-73.6-5.8172.4-76.3-77.1000113.9V267 L316 M317 C318 L322V267-F320 HydrophobicContact CB-CE1 4.28Å; V267-F320 HydrophobicContact CG1-CE1 3.95Å; V267-F320 HydrophobicContact CG2-CD1 3.99Å; V267-F320 HydrophobicContact CG2-CE1 3.39Å; V267-F320 HydrophobicContact CG2-CZ 4.39Å; L316-F320 VanDerWaalsContact C-CD2 3.46Å; L316-F320 HydrophobicContact CB-CD2 4.31Å; L316-F320 HydrophobicContact CB-CE2 4.02Å; L316-F320 HydrophobicContact CD2-CE2 4.15Å; L316-F320 WeakPolarHBondContact O-CD2 3.43Å; L316-F320 PolarHBondContact O-N 3.18Å; M317-F320 PolarHBondContact O-N 2.75Å; C318-F320 VanDerWaalsContact C-N 3.33Å; F320-L322 VanDerWaalsContact C-N 3.3Å; F320-L322 HydrophobicContact CB-CD1 4.23Å; F320-L322 HydrophobicContact CB-CG 4.26Å; F320-L322 PolarHBondContact O-N 3.08Å
321G58.1Low67.5Low68 Ų6859.6 Ų59.670%0.70134%0.341SS*.THydrogen-bonded Turntrans69.625.4178.300000114.2M317 C318 Q319M317-G321 PolarHBondContact O-N 2.85Å; C318-G321 PolarHBondContact O-N 3.33Å; Q319-G321 PolarHBondContact O-N 2.82Å
322L70.6Confident68.1Low30 Ų3065.8 Ų65.816%0.15736%0.363CS..  trans-70.5154.6176.9-74.8167.2000111.1I261 M317 F320 V327 F338 M342I261-L322 HydrophobicContact CD1-CD2 4.06Å; M317-L322 HydrophobicContact CB-CD1 3.91Å; M317-L322 HydrophobicContact CG-CD1 3.65Å; M317-L322 PolarHBondContact O-N 2.91Å; F320-L322 VanDerWaalsContact C-N 3.3Å; F320-L322 HydrophobicContact CB-CD1 4.23Å; F320-L322 HydrophobicContact CB-CG 4.26Å; F320-L322 PolarHBondContact O-N 3.08Å; L322-V327 HydrophobicContact CB-CG2 3.95Å; L322-V327 VanDerWaalsContact O-CG2 3.3Å; L322-V327 WeakPolarHBondContact O-CG2 3.32Å; L322-F338 HydrophobicContact CD1-CE2 4.24Å; L322-F338 HydrophobicContact CD1-CZ 4.26Å; L322-M342 HydrophobicContact CD2-CE 3.93Å; L322-M342 HydrophobicContact CD2-SD 3.58Å; L322-M342 VanDerWaalsContact CD2-SD 3.58Å
323P70.1Confident68.4Low41 Ų4159.3 Ų59.327%0.26634%0.337SS..  trans-57.2143.4-17720.8-30.7000111E325 A326 V327P323-E325 PolarHBondContact O-N 3.49Å; P323-A326 HydrophobicContact CG-CB 3.82Å; P323-A326 WeakPolarHBondContact O-CA 3.32Å; P323-A326 WeakPolarHBondContact O-CB 3.3Å; P323-A326 PolarHBondContact O-N 3.19Å; P323-V327 PolarHBondContact O-N 2.87Å
324A72.7Confident69Low83 Ų8361.7 Ų61.769%0.68635%0.35SS*.Hα-helixtrans-53.3-34-174.600000112.9V327 E328A324-V327 PolarHBondContact O-N 2.91Å; A324-E328 WeakPolarHBondContact O-CB 3.23Å; A324-E328 PolarHBondContact O-N 2.64Å
325E70.4Confident69.3Low137 Ų13762.4 Ų62.464%0.6435%0.354SS*.Hα-helixtrans-68-39.8175.7-62.1-169.1159.500113.1P323 A329 A341P323-E325 PolarHBondContact O-N 3.49Å; E325-A329 WeakPolarHBondContact O-CB 3.24Å; E325-A329 PolarHBondContact O-N 2.74Å; E325-A341 HydrophobicContact CB-CB 4.32Å
326A70.4Confident69.4Low0 Ų063.9 Ų63.90%035%0.354CS..Hα-helixtrans-70.4-40.5174.600000110.4P323 E328 A329 A330 F338 A341 M342P323-A326 HydrophobicContact CG-CB 3.82Å; P323-A326 WeakPolarHBondContact O-CA 3.32Å; P323-A326 WeakPolarHBondContact O-CB 3.3Å; P323-A326 PolarHBondContact O-N 3.19Å; A326-E328 PolarHBondContact O-N 3.12Å; A326-A329 PolarHBondContact O-N 2.9Å; A326-A330 VanDerWaalsContact O-CB 3.24Å; A326-A330 WeakPolarHBondContact O-CB 3.4Å; A326-A330 PolarHBondContact O-N 3.23Å; A326-F338 HydrophobicContact CB-CD2 3.83Å; A326-F338 HydrophobicContact CB-CE2 3.92Å; A326-F338 VanDerWaalsContact O-CD2 3.29Å; A326-F338 WeakPolarHBondContact O-CD2 3.33Å; A326-A341 HydrophobicContact CB-CB 4.04Å; A326-M342 HydrophobicContact CB-CG 4.41Å
327V71.8Confident69.9Low16 Ų1661.3 Ų61.310%0.09735%0.346CS..Hα-helixtrans-62.1-43.5175.9170.70000111.4M317 C318 L322 P323 A324 A330 N331M317-V327 HydrophobicContact CB-CG2 4.16Å; C318-V327 HydrophobicContact CB-CG1 4.31Å; C318-V327 WeakPolarHBondContact SG-CG1 2.9Å; L322-V327 HydrophobicContact CB-CG2 3.95Å; L322-V327 VanDerWaalsContact O-CG2 3.3Å; L322-V327 WeakPolarHBondContact O-CG2 3.32Å; P323-V327 PolarHBondContact O-N 2.87Å; A324-V327 PolarHBondContact O-N 2.91Å; V327-A330 PolarHBondContact O-N 3.42Å; V327-N331 WeakPolarHBondContact CG1-ND2 3.42Å; V327-N331 WeakPolarHBondContact O-CB 3.33Å; V327-N331 PolarHBondContact O-N 3.19Å; V327-N331 PolarHBondContact O-ND2 2.68Å
328E75.7Confident70.2Confident105 Ų10561.4 Ų61.449%0.49135%0.346SS..Hα-helixtrans-65.8-41.8177.3-169177.2167.300111.4A324 A326 N331 K332A324-E328 WeakPolarHBondContact O-CB 3.23Å; A324-E328 PolarHBondContact O-N 2.64Å; A326-E328 PolarHBondContact O-N 3.12Å; E328-N331 PolarHBondContact O-N 3.3Å; E328-K332 HydrophobicContact CG-CD 4.4Å; E328-K332 WeakPolarHBondContact O-CB 3.33Å; E328-K332 WeakPolarHBondContact O-CG 3.24Å; E328-K332 PolarHBondContact O-N 2.97Å; E328-K332 WeakPolarHBondContact OE1-CE 3.16Å; E328-K332 IonicContact OE1-NZ 2.68Å; E328-K332 PolarHBondContact OE1-NZ 3.29Å
329A73.6Confident70.5Confident8 Ų858.4 Ų58.47%0.06633%0.327CS..Hα-helixtrans-62.6-41173.600000112.2E325 A326 K332 G333 D334 A337 F338E325-A329 WeakPolarHBondContact O-CB 3.24Å; E325-A329 PolarHBondContact O-N 2.74Å; A326-A329 PolarHBondContact O-N 2.9Å; A329-K332 CarbonylContact O-C 3.55Å; A329-K332 PolarHBondContact O-N 3Å; A329-G333 PolarHBondContact O-N 2.97Å; A329-D334 PolarHBondContact O-N 3.27Å; A329-A337 HydrophobicContact CB-CB 3.8Å; A329-F338 HydrophobicContact CB-CB 4.08Å
330A73.9Confident70.8Confident0 Ų056.4 Ų56.40%032%0.316CS..Hα-helixtrans-64.6-4017600000112.5L308 G311 M317 A326 V327 K332 G333 F338L308-A330 HydrophobicContact CD1-CB 3.49Å; L308-A330 VanDerWaalsContact CD1-CB 3.49Å; G311-A330 WeakPolarHBondContact CA-O 3.46Å; M317-A330 HydrophobicContact CB-CB 4.23Å; M317-A330 HydrophobicContact CG-CB 3.96Å; M317-A330 HydrophobicContact SD-CB 3.69Å; A326-A330 VanDerWaalsContact O-CB 3.24Å; A326-A330 WeakPolarHBondContact O-CB 3.4Å; A326-A330 PolarHBondContact O-N 3.23Å; V327-A330 PolarHBondContact O-N 3.42Å; A330-K332 VanDerWaalsContact C-N 3.31Å; A330-G333 PolarHBondContact O-N 3.44Å; A330-F338 HydrophobicContact CB-CD2 3.95Å; A330-F338 HydrophobicContact CB-CE2 4.24Å
331N74.2Confident71Confident73 Ų7353 Ų5339%0.3930%0.302SS..Hα-helixtrans-68.6-30.7174.3-78.3-70.1000112.2G314 V327 E328 G333G314-N331 WeakPolarHBondContact CA-OD1 3.42Å; V327-N331 WeakPolarHBondContact CG1-ND2 3.42Å; V327-N331 WeakPolarHBondContact O-CB 3.33Å; V327-N331 PolarHBondContact O-N 3.19Å; V327-N331 PolarHBondContact O-ND2 2.68Å; E328-N331 PolarHBondContact O-N 3.3Å; N331-G333 VanDerWaalsContact C-N 3.32Å
332K76.4Confident71.3Confident146 Ų14650.5 Ų50.564%0.63527%0.272SS*.Hα-helixtrans-81.6-8.4175.6-73.1178-174.1171.10113.8E328 A329 A330 D334E328-K332 HydrophobicContact CG-CD 4.4Å; E328-K332 WeakPolarHBondContact O-CB 3.33Å; E328-K332 WeakPolarHBondContact O-CG 3.24Å; E328-K332 PolarHBondContact O-N 2.97Å; E328-K332 WeakPolarHBondContact OE1-CE 3.16Å; E328-K332 IonicContact OE1-NZ 2.68Å; E328-K332 PolarHBondContact OE1-NZ 3.29Å; A329-K332 CarbonylContact O-C 3.55Å; A329-K332 PolarHBondContact O-N 3Å; A330-K332 VanDerWaalsContact C-N 3.31Å; K332-D334 PolarHBondContact O-N 3.37Å
333G70.4Confident71.1Confident16 Ų1654.5 Ų54.517%0.16529%0.29CS..THydrogen-bonded Turntrans7216.5-174.400000114L308 A309 A329 A330 N331 V335L308-G333 WeakPolarHBondContact O-CA 3.24Å; A309-G333 WeakPolarHBondContact O-CA 3.37Å; A329-G333 PolarHBondContact O-N 2.97Å; A330-G333 PolarHBondContact O-N 3.44Å; N331-G333 VanDerWaalsContact C-N 3.32Å; G333-V335 PolarHBondContact O-N 2.92Å
334D75.5Confident71Confident78 Ų7857.2 Ų57.242%0.41730%0.302SS..  trans-88.484.9-179.7-165.2-22.8000109.8A329 K332 E336 A337 F338A329-D334 PolarHBondContact O-N 3.27Å; K332-D334 PolarHBondContact O-N 3.37Å; D334-E336 PolarHBondContact O-N 3.12Å; D334-E336 PolarHBondContact OD1-N 3.19Å; D334-A337 HydrophobicContact CB-CB 3.95Å; D334-A337 VanDerWaalsContact CG-CB 3.42Å; D334-A337 PolarHBondContact O-N 2.95Å; D334-A337 PolarHBondContact OD1-N 2.83Å; D334-F338 WeakPolarHBondContact O-CB 3.39Å; D334-F338 PolarHBondContact O-N 2.56Å
335V69.6Low70.3Confident14 Ų1457.8 Ų57.89%0.08529%0.294CS..Hα-helixtrans-63.1-30-177.4-174.30000112L249 L308 A309 G333 A339L249-V335 HydrophobicContact CD1-CG1 3.7Å; L249-V335 HydrophobicContact CD2-CG1 3.73Å; L249-V335 HydrophobicContact CG-CG1 4.32Å; L308-V335 HydrophobicContact CB-CG2 4.41Å; L308-V335 HydrophobicContact CD2-CG1 4.32Å; L308-V335 HydrophobicContact CD2-CG2 4.42Å; L308-V335 HydrophobicContact CG-CG2 4.21Å; A309-V335 HydrophobicContact CB-CG2 3.6Å; G333-V335 PolarHBondContact O-N 2.92Å; V335-A339 VanDerWaalsContact O-CB 3.3Å; V335-A339 WeakPolarHBondContact O-CB 3.46Å; V335-A339 PolarHBondContact O-N 3.47Å
336E66.9Low69.5Low116 Ų11653.7 Ų53.754%0.54228%0.284SS..Hα-helixtrans-74.1-46.2178.5-172179.4167.600110.8D334 F338 A339 K340D334-E336 PolarHBondContact O-N 3.12Å; D334-E336 PolarHBondContact OD1-N 3.19Å; E336-F338 VanDerWaalsContact C-N 3.28Å; E336-F338 PolarHBondContact O-N 2.88Å; E336-A339 PolarHBondContact O-N 3.06Å; E336-K340 WeakPolarHBondContact O-CB 3.48Å; E336-K340 PolarHBondContact O-N 3.07Å
337A72.9Confident68.5Low37 Ų3761.5 Ų61.531%0.30632%0.318SS..Hα-helixtrans-62.2-37.5173.200000111.7A329 D334 K340 A341A329-A337 HydrophobicContact CB-CB 3.8Å; D334-A337 HydrophobicContact CB-CB 3.95Å; D334-A337 VanDerWaalsContact CG-CB 3.42Å; D334-A337 PolarHBondContact O-N 2.95Å; D334-A337 PolarHBondContact OD1-N 2.83Å; A337-K340 PolarHBondContact O-N 3.45Å; A337-A341 WeakPolarHBondContact O-CB 3.49Å; A337-A341 PolarHBondContact O-N 3.3Å
338F70.3Confident67Low5 Ų566.3 Ų66.32%0.02235%0.349CS..Hα-helixtrans-62.1-51.2173.9177.8-95000111.9L308 M317 L322 A326 A329 A330 D334 E336 K340 A341 M342L308-F338 HydrophobicContact CD2-CB 4.35Å; L308-F338 HydrophobicContact CD2-CD1 3.51Å; L308-F338 HydrophobicContact CD2-CD2 4.38Å; L308-F338 HydrophobicContact CD2-CE1 3.82Å; L308-F338 HydrophobicContact CD2-CG 3.82Å; L308-F338 HydrophobicContact CD2-CZ 4.39Å; M317-F338 HydrophobicContact CG-CE2 4.14Å; L322-F338 HydrophobicContact CD1-CE2 4.24Å; L322-F338 HydrophobicContact CD1-CZ 4.26Å; A326-F338 HydrophobicContact CB-CD2 3.83Å; A326-F338 HydrophobicContact CB-CE2 3.92Å; A326-F338 VanDerWaalsContact O-CD2 3.29Å; A326-F338 WeakPolarHBondContact O-CD2 3.33Å; A329-F338 HydrophobicContact CB-CB 4.08Å; A330-F338 HydrophobicContact CB-CD2 3.95Å; A330-F338 HydrophobicContact CB-CE2 4.24Å; D334-F338 WeakPolarHBondContact O-CB 3.39Å; D334-F338 PolarHBondContact O-N 2.56Å; E336-F338 VanDerWaalsContact C-N 3.28Å; E336-F338 PolarHBondContact O-N 2.88Å; F338-K340 VanDerWaalsContact C-N 3.29Å; F338-K340 PolarHBondContact O-N 3.09Å; F338-A341 PolarHBondContact O-N 3.05Å; F338-M342 HydrophobicContact CD1-CG 4.36Å; F338-M342 HydrophobicContact CE1-CG 4.02Å; F338-M342 HydrophobicContact CE2-CG 4.38Å; F338-M342 HydrophobicContact CZ-CG 4.03Å; F338-M342 WeakPolarHBondContact O-CB 3.48Å; F338-M342 VanDerWaalsContact O-CG 3.27Å; F338-M342 WeakPolarHBondContact O-CG 3.11Å; F338-M342 PolarHBondContact O-N 3.11Å
339A69.6Low65.2Low9 Ų970.3 Ų70.37%0.07437%0.368CS..Hα-helixtrans-62.3-38.3178.900000111.6V252 V335 E336 Q343V252-A339 HydrophobicContact CG1-CB 4.23Å; V335-A339 VanDerWaalsContact O-CB 3.3Å; V335-A339 WeakPolarHBondContact O-CB 3.46Å; V335-A339 PolarHBondContact O-N 3.47Å; E336-A339 PolarHBondContact O-N 3.06Å; A339-Q343 VanDerWaalsContact O-CB 3.27Å; A339-Q343 WeakPolarHBondContact O-CB 3.44Å; A339-Q343 PolarHBondContact O-N 2.85Å
340K69.3Low63.3Low122 Ų12277.3 Ų77.353%0.5340%0.399SS..Hα-helixtrans-70.8-40.2177.5-166.9172.7-173.8172.20112.7E336 A337 F338 M342 Q343 N344E336-K340 WeakPolarHBondContact O-CB 3.48Å; E336-K340 PolarHBondContact O-N 3.07Å; A337-K340 PolarHBondContact O-N 3.45Å; F338-K340 VanDerWaalsContact C-N 3.29Å; F338-K340 PolarHBondContact O-N 3.09Å; K340-M342 VanDerWaalsContact C-N 3.33Å; K340-Q343 PolarHBondContact O-N 2.89Å; K340-N344 VanDerWaalsContact O-CB 3.27Å; K340-N344 WeakPolarHBondContact O-CB 3.42Å; K340-N344 PolarHBondContact O-N 3.01Å
341A67.8Low61.5Low8 Ų887.6 Ų87.67%0.06644%0.444CS..Hα-helixtrans-64.2-40.6174.500000111.2E325 A326 A337 F338 N345E325-A341 HydrophobicContact CB-CB 4.32Å; A326-A341 HydrophobicContact CB-CB 4.04Å; A337-A341 WeakPolarHBondContact O-CB 3.49Å; A337-A341 PolarHBondContact O-N 3.3Å; F338-A341 PolarHBondContact O-N 3.05Å; A341-N345 WeakPolarHBondContact O-CB 3.37Å; A341-N345 PolarHBondContact O-N 2.81Å; A341-N345 PolarHBondContact O-ND2 2.76Å
342M65.8Low59.6Low17 Ų1791.3 Ų91.38%0.08446%0.459CS..Hα-helixtrans-65.8-43.2173.4-73.9-69.7-74.800112.2I257 M258 L322 A326 F338 K340 A346I257-M342 HydrophobicContact CG2-CE 3.62Å; M258-M342 HydrophobicContact CE-CE 4.18Å; L322-M342 HydrophobicContact CD2-CE 3.93Å; L322-M342 HydrophobicContact CD2-SD 3.58Å; L322-M342 VanDerWaalsContact CD2-SD 3.58Å; A326-M342 HydrophobicContact CB-CG 4.41Å; F338-M342 HydrophobicContact CD1-CG 4.36Å; F338-M342 HydrophobicContact CE1-CG 4.02Å; F338-M342 HydrophobicContact CE2-CG 4.38Å; F338-M342 HydrophobicContact CZ-CG 4.03Å; F338-M342 WeakPolarHBondContact O-CB 3.48Å; F338-M342 VanDerWaalsContact O-CG 3.27Å; F338-M342 WeakPolarHBondContact O-CG 3.11Å; F338-M342 PolarHBondContact O-N 3.11Å; K340-M342 VanDerWaalsContact C-N 3.33Å; M342-A346 VanDerWaalsContact O-CB 3.25Å; M342-A346 WeakPolarHBondContact O-CB 3.49Å; M342-A346 PolarHBondContact O-N 2.82Å
343Q65.6Low57.4Low113 Ų11387.4 Ų87.453%0.52846%0.46SS..Hα-helixtrans-69.7-37.6178.8-172.9175.635.400112.7V252 A339 K340 A346V252-Q343 HydrophobicContact CG1-CB 4.49Å; A339-Q343 VanDerWaalsContact O-CB 3.27Å; A339-Q343 WeakPolarHBondContact O-CB 3.44Å; A339-Q343 PolarHBondContact O-N 2.85Å; K340-Q343 PolarHBondContact O-N 2.89Å; Q343-A346 PolarHBondContact O-N 3.31Å
344N67.6Low55.8Low98 Ų9894 Ų9452%0.52449%0.492SS..Hα-helixtrans-70.3-37176.9-80.1-11.8000112K340K340-N344 VanDerWaalsContact O-CB 3.27Å; K340-N344 WeakPolarHBondContact O-CB 3.42Å; K340-N344 PolarHBondContact O-N 3.01Å
345N58.7Low54.2Low95 Ų9596.6 Ų96.651%0.50851%0.51SS..Hα-helixtrans-76.1-22.9172.9-93.3-86.2000113.5A341 K347A341-N345 WeakPolarHBondContact O-CB 3.37Å; A341-N345 PolarHBondContact O-N 2.81Å; A341-N345 PolarHBondContact O-ND2 2.76Å; N345-K347 PolarHBondContact O-N 2.96Å
346A54.7Low52.7Low52 Ų52104.7 Ų104.743%0.4354%0.544SS..THydrogen-bonded Turntrans-70.5-14.6174.500000113.1I257 M342 Q343 P348I257-A346 HydrophobicContact CD1-CB 4.35Å; I257-A346 HydrophobicContact CG1-CB 4.31Å; M342-A346 VanDerWaalsContact O-CB 3.25Å; M342-A346 WeakPolarHBondContact O-CB 3.49Å; M342-A346 PolarHBondContact O-N 2.82Å; Q343-A346 PolarHBondContact O-N 3.31Å; A346-P348 WeakPolarHBondContact O-CD 3.44Å
347K48Very low51.6Low163 Ų163106.7 Ų106.771%0.70956%0.559SS**SBendtrans-79.4105.5158.2-80.1172.1-179.3170.40106.5N345 E349N345-K347 PolarHBondContact O-N 2.96Å; K347-E349 PolarHBondContact O-N 3.24Å
348P40.9Very low50.1Low117 Ų117112.7 Ų112.776%0.7658%0.578SS**  trans-55143.9173.626.1-33.4000108.1A346A346-P348 WeakPolarHBondContact O-CD 3.44Å
349E36.8Very low49.1Very low189 Ų189121.2 Ų121.288%0.88362%0.615SS**  trans-34.3140.3-179.6-71.5-175.3107.400113.4K347 K351K347-E349 PolarHBondContact O-N 3.24Å; E349-K351 PolarHBondContact O-N 3.04Å
350Q35.4Very low47.8Very low155 Ų155126.7 Ų126.772%0.72464%0.643SS**  trans-42111.7168.9-69.6170.9-74.400110.7E352Q350-E352 HydrophobicContact CB-CB 4.31Å; Q350-E352 HydrophobicContact CB-CG 4.5Å; Q350-E352 PolarHBondContact NE2-OE2 3.2Å; Q350-E352 PolarHBondContact O-N 3.15Å
351K35.8Very low46.5Very low216 Ų216129.5 Ų129.594%0.93966%0.658SS**  trans-7264.3152.9-152.7177.4-170.6178.20107.8E349E349-K351 PolarHBondContact O-N 3.04Å
352E33.3Very low45.6Very low152 Ų152138.2 Ų138.271%0.7170%0.697SS**  trans-90.8109.9164.9-98.3-173.8150.200108.3Q350Q350-E352 HydrophobicContact CB-CB 4.31Å; Q350-E352 HydrophobicContact CB-CG 4.5Å; Q350-E352 PolarHBondContact NE2-OE2 3.2Å; Q350-E352 PolarHBondContact O-N 3.15Å
353G31.2Very low44.6Very low63 Ų63146.4 Ų146.465%0.64974%0.736SS**  trans71.473.7153.800000116.9T355G353-T355 VanDerWaalsContact C-N 3.29Å; G353-T355 PolarHBondContact O-N 3.02Å
354D35.4Very low43.9Very low156 Ų156147.3 Ų147.383%0.83474%0.744SS**  trans-59.793.2151.3-170.9-99000108.7
355T42.9Very low43.4Very low131 Ų131150 Ų15080%0.80476%0.755SS**  trans-159.164.7165.3-4.80000110.2G353G353-T355 VanDerWaalsContact C-N 3.29Å; G353-T355 PolarHBondContact O-N 3.02Å
356K37.4Very low42.9Very low184 Ų184151.6 Ų151.680%0.877%0.774SS**  trans-15155154.7-146.1173.3-178.2179.80112.2K358K356-K358 PolarHBondContact O-N 3.03Å
357D43.9Very low42.7Very low158 Ų158157.1 Ų157.185%0.84580%0.795SS**  trans-69.384.1151-125-48.5000107.5
358K42.3Very low42.9Very low163 Ų163160.7 Ų160.771%0.70982%0.822SS**  trans-114.687160.2-107.7-165.9176-167.50107.8K356 D360K356-K358 PolarHBondContact O-N 3.03Å; K358-D360 PolarHBondContact O-N 3.35Å
359K47.8Very low43Very low184 Ų184162.9 Ų162.980%0.883%0.825SS**  trans-47.8112.2150.1-170.8-178.4-169.6179.60109
360D42.6Very low43.3Very low125 Ų125161.5 Ų161.567%0.66882%0.822SS**  trans-156.189.4155.1-79.5-38.7000103.8K358K358-D360 PolarHBondContact O-N 3.35Å
361E41.7Very low43.8Very low180 Ų180161.9 Ų161.984%0.84183%0.828SS**  81118.6104.3-79.8-169.3167.600112.5E363E361-E363 PolarHBondContact O-N 3.06Å
362E50.1Low44.2Very low192 Ų192158.7 Ų158.790%0.89782%0.821SS**  trans-53.2126.1171.3-58.2177.3157.300109.8
363E45.5Very low44.9Very low189 Ų189159.1 Ų159.188%0.88383%0.828SS**  trans-160.2107.4149.2-109.4171.8-146.500109.7E361E361-E363 PolarHBondContact O-N 3.06Å
364D49.3Very low45.8Very low132 Ų132165.5 Ų165.571%0.70684%0.84SS**  trans68.3125.7134.1-141.223.7000120.7
365M58.3Low46.6Very low153 Ų153166.2 Ų166.275%0.75484%0.841SS**  trans53.6108.5157.2-62.7-179.9-160.300119.1
366S48.4Very low46.9Very low130 Ų130168.9 Ų168.991%0.90984%0.843SS**  -158.1121.9117.2-79.80000111
367L48.8Very low47.7Very low168 Ų168167.7 Ų167.788%0.8885%0.847SS**  trans-78.3158.9177.6-81.1147.9000112.1
368D53Low48Very low238 Ų238168.5 Ų168.5100%1.27385%0.847SS**  trans74.30157.5-145.266000118.6

Retrieved 368 of 368 residues in 307.7 ms (Link to these results)