A0A096N666_PAPAN Loading...

Large ribosomal subunit protein uL18

AlphaFold DB (P46777), UniProt , Accession A0A096N666, Species PAPAN (Papio anubis, Olive baboon), Gene RPL5, Length 297 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
1M48.2Very low74.8Confident234 Ų234134.2 Ų134.2100%1.15372%0.719SS**  067.80-86.4177.5173.500111.2F3M1-F3 PolarHBondContact O-N 3.43Å
2G52.4Low76.2Confident83 Ų83128.7 Ų128.786%0.85668%0.681SS**  trans-81.528.4167.600000113
3F59.5Low77.6Confident181 Ų181128.4 Ų128.479%0.79467%0.671SS**  trans-112.5124.2-160.3-74.9-88.9000111.1M1M1-F3 PolarHBondContact O-N 3.43Å
4V69.8Low78.7Confident134 Ų134131.2 Ų131.281%0.81268%0.675SS**  trans62.2101.8178.9-1650000115.1V6V4-V6 PolarHBondContact O-N 3.12Å
5K73.5Confident79.6Confident195 Ų195135.4 Ų135.485%0.84868%0.679SS**  trans-59.3111.4171.2-176179.3-176.6177.60109.3V7K5-V7 PolarHBondContact O-N 3.36Å
6V73.1Confident80.4Confident105 Ų105133.9 Ų133.964%0.63666%0.664SS**  trans-53.5114.3170.6178.10000108.8V4 K8 Y12V4-V6 PolarHBondContact O-N 3.12Å; V6-K8 PolarHBondContact O-N 3.36Å; V6-Y12 HydrophobicContact CG1-CD2 4.06Å; V6-Y12 HydrophobicContact CG1-CE2 4.42Å
7V81.6Confident81.3Confident109 Ų109136.7 Ų136.766%0.66168%0.675SS**  trans-71.2114.3177.4-176.40000107.9K5 N9K5-V7 PolarHBondContact O-N 3.36Å; V7-N9 HydrophobicContact CG1-CB 4.3Å; V7-N9 PolarHBondContact O-N 3.01Å
8K88.3Confident82Confident146 Ų146133.7 Ų133.764%0.63567%0.665SS**  trans-71.169.1176.2-65.4-179.2-179.2175.50110.5V6 Y12 F13V6-K8 PolarHBondContact O-N 3.36Å; K8-Y12 HydrophobicContact CB-CD1 4.18Å; K8-Y12 HydrophobicContact CG-CD1 4.19Å; K8-Y12 HydrophobicContact CG-CE1 4.18Å; K8-F13 HydrophobicContact CB-CE2 4.11Å; K8-F13 HydrophobicContact CB-CZ 3.99Å; K8-F13 VanDerWaalsContact O-CE2 3.28Å; K8-F13 WeakPolarHBondContact O-CE2 3.32Å
9N90.6Very high82.8Confident78 Ų78133.4 Ų133.442%0.41766%0.659SS.*  trans-87.5179.2-179.464.913.5000112V7 A11 Y12 F13V7-N9 HydrophobicContact CG1-CB 4.3Å; V7-N9 PolarHBondContact O-N 3.01Å; N9-A11 PolarHBondContact O-N 3.22Å; N9-A11 WeakPolarHBondContact OD1-CB 3.03Å; N9-A11 PolarHBondContact OD1-N 3.13Å; N9-Y12 WeakPolarHBondContact O-CB 3.35Å; N9-Y12 PolarHBondContact O-N 3.44Å; N9-Y12 PolarHBondContact OD1-N 2.89Å; N9-F13 VanDerWaalsContact O-CD2 3.29Å; N9-F13 WeakPolarHBondContact O-CD2 3.24Å; N9-F13 PolarHBondContact O-N 2.76Å
10K93.6Very high83.4Confident165 Ų165134.3 Ų134.372%0.71766%0.66SS**Hα-helixtrans-54-38176.2-171.1178.2-176.9179.10112.1F13 K14K10-F13 PolarHBondContact O-N 3.17Å; K10-K14 WeakPolarHBondContact O-CG 3.33Å; K10-K14 PolarHBondContact O-N 3.28Å; K10-K14 VanDerWaalsContact O-N 3.11Å
11A92Very high84.1Confident46 Ų46135.9 Ų135.938%0.3866%0.658SS.*Hα-helixtrans-69.2-31.8178.300000113.1N9 R15N9-A11 PolarHBondContact O-N 3.22Å; N9-A11 WeakPolarHBondContact OD1-CB 3.03Å; N9-A11 PolarHBondContact OD1-N 3.13Å; A11-R15 PolarHBondContact O-N 3.04Å; A11-R15 PolarHBondContact O-NE 2.87Å; A11-R15 VanDerWaalsContact O-NE 3.15Å
12Y92.1Very high86.4Confident68 Ų68129.1 Ų129.127%0.26762%0.62SS.*Hα-helixtrans-63.8-52.5171.4173.8-88.1000110.9V6 K8 N9 K14 R15 Y16V6-Y12 HydrophobicContact CG1-CD2 4.06Å; V6-Y12 HydrophobicContact CG1-CE2 4.42Å; K8-Y12 HydrophobicContact CB-CD1 4.18Å; K8-Y12 HydrophobicContact CG-CD1 4.19Å; K8-Y12 HydrophobicContact CG-CE1 4.18Å; N9-Y12 WeakPolarHBondContact O-CB 3.35Å; N9-Y12 PolarHBondContact O-N 3.44Å; N9-Y12 PolarHBondContact OD1-N 2.89Å; Y12-K14 VanDerWaalsContact C-N 3.29Å; Y12-K14 PolarHBondContact O-N 3.32Å; Y12-R15 PolarHBondContact O-N 3.29Å; Y12-Y16 HydrophobicContact CE1-CD2 4.12Å; Y12-Y16 HydrophobicContact CE1-CG 4.25Å; Y12-Y16 AromaticContact CZ-CD2 3.91Å; Y12-Y16 PolarHBondContact O-N 2.81Å; Y12-Y16 WeakPolarHBondContact OH-CD2 3.48Å
13F93.6Very high88.5Confident125 Ų125130.5 Ų130.555%0.54860%0.599SS.*Hα-helixtrans-67.1-28.3-176.8-67.9-66.1000113.6K8 N9 K10 R15K8-F13 HydrophobicContact CB-CE2 4.11Å; K8-F13 HydrophobicContact CB-CZ 3.99Å; K8-F13 VanDerWaalsContact O-CE2 3.28Å; K8-F13 WeakPolarHBondContact O-CE2 3.32Å; N9-F13 VanDerWaalsContact O-CD2 3.29Å; N9-F13 WeakPolarHBondContact O-CD2 3.24Å; N9-F13 PolarHBondContact O-N 2.76Å; K10-F13 PolarHBondContact O-N 3.17Å; F13-R15 VanDerWaalsContact C-N 3.31Å; F13-R15 PolarHBondContact O-N 3.44Å
14K94Very high90.2Very high168 Ų168129.1 Ų129.173%0.7359%0.589SS**Hα-helixtrans-65.3-31.5171.5-78.2-173.4173.2-166.60113.4K10 Y12K10-K14 WeakPolarHBondContact O-CG 3.33Å; K10-K14 PolarHBondContact O-N 3.28Å; K10-K14 VanDerWaalsContact O-N 3.11Å; Y12-K14 VanDerWaalsContact C-N 3.29Å; Y12-K14 PolarHBondContact O-N 3.32Å
15R92Very high91.5Very high194 Ų194127 Ų12773%0.73257%0.57SS**Hα-helixtrans-92.6-17.5179.7-68.2-178.6-73.3179.6-1113.2A11 Y12 F13 Q17A11-R15 PolarHBondContact O-N 3.04Å; A11-R15 PolarHBondContact O-NE 2.87Å; A11-R15 VanDerWaalsContact O-NE 3.15Å; Y12-R15 PolarHBondContact O-N 3.29Å; F13-R15 VanDerWaalsContact C-N 3.31Å; F13-R15 PolarHBondContact O-N 3.44Å; R15-Q17 PolarHBondContact O-N 3.17Å; R15-Q17 VanDerWaalsContact O-N 3.09Å
16Y92.9Very high92.5Very high111 Ų111119.9 Ų119.944%0.43555%0.552SS.*  trans-72.6103.5-175.8-176-101.8000111.5Y12 V18Y12-Y16 HydrophobicContact CE1-CD2 4.12Å; Y12-Y16 HydrophobicContact CE1-CG 4.25Å; Y12-Y16 AromaticContact CZ-CD2 3.91Å; Y12-Y16 PolarHBondContact O-N 2.81Å; Y12-Y16 WeakPolarHBondContact OH-CD2 3.48Å; Y16-V18 HydrophobicContact CD1-CG2 3.86Å; Y16-V18 HydrophobicContact CE1-CB 4.47Å; Y16-V18 HydrophobicContact CE1-CG2 3.9Å; Y16-V18 PolarHBondContact O-N 3.19Å
17Q94.9Very high93.6Very high182 Ų182120.3 Ų120.385%0.8555%0.545SS*.PPolyproline II helixtrans-78.7117.6171.7-67.4-175.2-1.300110.5R15 K19R15-Q17 PolarHBondContact O-N 3.17Å; R15-Q17 VanDerWaalsContact O-N 3.09Å; Q17-K19 PolarHBondContact O-N 2.78Å
18V94.5Very high94.3Very high82 Ų82115.5 Ų115.550%0.49752%0.517SS..PPolyproline II helixtrans-77.3121.1-175.7-176.30000109.6Y16 R24Y16-V18 HydrophobicContact CD1-CG2 3.86Å; Y16-V18 HydrophobicContact CE1-CB 4.47Å; Y16-V18 HydrophobicContact CE1-CG2 3.9Å; Y16-V18 PolarHBondContact O-N 3.19Å; V18-R24 VanDerWaalsContact CG1-CD 3.42Å; V18-R24 VanDerWaalsContact CG1-CZ 3.48Å; V18-R24 VanDerWaalsContact CG1-NH1 3.32Å
19K95.7Very high94.6Very high128 Ų128111 Ų11156%0.55750%0.499SS*.PPolyproline II helixtrans-59.1154.9172.2-62.3-176.6-179.4176.90111.3Q17 R23 R24Q17-K19 PolarHBondContact O-N 2.78Å; K19-R23 HydrophobicContact CB-CB 4.3Å; K19-R23 HydrophobicContact CB-CG 4.21Å; K19-R23 HydrophobicContact CD-CG 4Å; K19-R24 HydrophobicContact CB-CG 4.2Å; K19-R24 WeakPolarHBondContact O-CD 3.41Å; K19-R24 WeakPolarHBondContact O-CG 3.45Å; K19-R24 PolarHBondContact O-NE 3.12Å; K19-R24 VanDerWaalsContact O-NE 3.14Å
20F96.3Very high94.8Very high152 Ų152111 Ų11167%0.66749%0.494SS*.PPolyproline II helixtrans-50.7147.4175.4-62.4-56.6000112.8R22 R23 R24 Y30F20-R22 PolarHBondContact O-N 3.42Å; F20-R23 WeakPolarHBondContact O-CA 3.34Å; F20-R23 WeakPolarHBondContact O-CB 3.43Å; F20-R23 PolarHBondContact O-N 3.16Å; F20-R24 PolarHBondContact O-N 3.45Å; F20-R24 VanDerWaalsContact O-N 3.08Å; F20-Y30 HydrophobicContact CB-CD2 4.19Å; F20-Y30 HydrophobicContact CB-CE2 3.51Å; F20-Y30 HydrophobicContact CD2-CD2 4.06Å; F20-Y30 HydrophobicContact CD2-CE2 4.17Å; F20-Y30 HydrophobicContact CD2-CG 4.25Å; F20-Y30 HydrophobicContact CG-CE2 4.23Å
21R97.2Very high94.9Very high168 Ų168110.1 Ų110.163%0.63449%0.487SS*.Hα-helixtrans-45.9-53.9-172.6-175.4-178.768.6-177.7-1.8113.6R23 R24 E25R21-R23 VanDerWaalsContact C-N 3.28Å; R21-R23 PolarHBondContact O-N 3.03Å; R21-R24 WeakPolarHBondContact O-CB 3.44Å; R21-R24 PolarHBondContact O-N 3.11Å; R21-R24 VanDerWaalsContact O-N 3.13Å; R21-E25 WeakPolarHBondContact CG-OE1 3.23Å; R21-E25 PolarHBondContact O-N 3.08Å; R21-E25 VanDerWaalsContact O-N 3.07Å
22R96.6Very high95Very high91 Ų91109.7 Ų109.734%0.34348%0.483SS..Hα-helixtrans-71.3-21.1-176.3-62.7-179.167.2112.42.1113.7F20 G26 K27 T28 Y30F20-R22 PolarHBondContact O-N 3.42Å; R22-G26 PolarHBondContact O-N 2.93Å; R22-K27 PolarHBondContact O-N 3.43Å; R22-T28 PolarHBondContact NE-OG1 2.93Å; R22-T28 PolarHBondContact O-N 3.12Å; R22-Y30 HydrophobicContact CB-CE2 4.22Å
23R96Very high95.2Very high112 Ų112109 Ų10942%0.42348%0.48SS..Hα-helixtrans-75.3-35.7172.1-17459.3174.2167.52.1110.8K19 F20 R21 E25 G26 Y30K19-R23 HydrophobicContact CB-CB 4.3Å; K19-R23 HydrophobicContact CB-CG 4.21Å; K19-R23 HydrophobicContact CD-CG 4Å; F20-R23 WeakPolarHBondContact O-CA 3.34Å; F20-R23 WeakPolarHBondContact O-CB 3.43Å; F20-R23 PolarHBondContact O-N 3.16Å; R21-R23 VanDerWaalsContact C-N 3.28Å; R21-R23 PolarHBondContact O-N 3.03Å; R23-E25 VanDerWaalsContact C-N 3.32Å; R23-G26 PolarHBondContact O-N 3.48Å; R23-G26 VanDerWaalsContact O-N 3.17Å; R23-Y30 HydrophobicContact CB-CD2 4.18Å; R23-Y30 HydrophobicContact CB-CE2 4.1Å
24R96.5Very high95.3Very high153 Ų153109.7 Ų109.758%0.57748%0.483SS*.Hα-helixtrans-65-36.3171.1-63.4-172.9-78.3166.70.6112.5V18 K19 F20 R21 G26V18-R24 VanDerWaalsContact CG1-CD 3.42Å; V18-R24 VanDerWaalsContact CG1-CZ 3.48Å; V18-R24 VanDerWaalsContact CG1-NH1 3.32Å; K19-R24 HydrophobicContact CB-CG 4.2Å; K19-R24 WeakPolarHBondContact O-CD 3.41Å; K19-R24 WeakPolarHBondContact O-CG 3.45Å; K19-R24 PolarHBondContact O-NE 3.12Å; K19-R24 VanDerWaalsContact O-NE 3.14Å; F20-R24 PolarHBondContact O-N 3.45Å; F20-R24 VanDerWaalsContact O-N 3.08Å; R21-R24 WeakPolarHBondContact O-CB 3.44Å; R21-R24 PolarHBondContact O-N 3.11Å; R21-R24 VanDerWaalsContact O-N 3.13Å; R24-G26 PolarHBondContact O-N 2.92Å
25E96.7Very high95.4Very high89 Ų89109.3 Ų109.342%0.41648%0.477SS..THydrogen-bonded Turntrans-77.2-5.8173.9-65.5174.3-153.700113.5R21 R23 K27R21-E25 WeakPolarHBondContact CG-OE1 3.23Å; R21-E25 PolarHBondContact O-N 3.08Å; R21-E25 VanDerWaalsContact O-N 3.07Å; R23-E25 VanDerWaalsContact C-N 3.32Å; E25-K27 VanDerWaalsContact C-N 3.29Å; E25-K27 HydrophobicContact CB-CD 4.12Å; E25-K27 HydrophobicContact CB-CG 4.07Å; E25-K27 PolarHBondContact O-N 3.17Å; E25-K27 WeakPolarHBondContact OE2-CD 3.17Å; E25-K27 WeakPolarHBondContact OE2-CE 3.45Å; E25-K27 IonicContact OE2-NZ 3.25Å; E25-K27 PolarHBondContact OE2-NZ 3.19Å
26G95.1Very high95.6Very high46 Ų46101.8 Ų101.847%0.47445%0.451SS..THydrogen-bonded Turntrans65.426.6-178.200000114.5R22 R23 R24 L150R22-G26 PolarHBondContact O-N 2.93Å; R23-G26 PolarHBondContact O-N 3.48Å; R23-G26 VanDerWaalsContact O-N 3.17Å; R24-G26 PolarHBondContact O-N 2.92Å; G26-L150 WeakPolarHBondContact O-CD1 3.28Å
27K95.7Very high95.7Very high113 Ų11399 Ų9949%0.49145%0.445SS..  trans-104.8-13.4-174.9-67.7-179.5-172.8159.60114.6R22 E25R22-K27 PolarHBondContact O-N 3.43Å; E25-K27 VanDerWaalsContact C-N 3.29Å; E25-K27 HydrophobicContact CB-CD 4.12Å; E25-K27 HydrophobicContact CB-CG 4.07Å; E25-K27 PolarHBondContact O-N 3.17Å; E25-K27 WeakPolarHBondContact OE2-CD 3.17Å; E25-K27 WeakPolarHBondContact OE2-CE 3.45Å; E25-K27 IonicContact OE2-NZ 3.25Å; E25-K27 PolarHBondContact OE2-NZ 3.19Å
28T96.1Very high95.8Very high9 Ų994.8 Ų94.86%0.05543%0.428CS..  trans-147.3129.4-172.6-57.70000110.8R22 Y30 R33R22-T28 PolarHBondContact NE-OG1 2.93Å; R22-T28 PolarHBondContact O-N 3.12Å; T28-Y30 HydrophobicContact CG2-CD2 4.38Å; T28-Y30 HydrophobicContact CG2-CE2 4.41Å; T28-Y30 HydrophobicContact CG2-CG 4.47Å; T28-R33 HydrophobicContact CG2-CB 4.32Å
29D94.4Very high95.8Very high51 Ų5193.1 Ų93.127%0.27342%0.415SS..  trans-87.5113.2157.6177.124.2000109.2Y31 A32 R33 L150D29-Y31 PolarHBondContact O-N 3.42Å; D29-Y31 WeakPolarHBondContact OD1-CB 3.45Å; D29-Y31 PolarHBondContact OD1-N 3.34Å; D29-A32 HydrophobicContact CB-CB 4.36Å; D29-A32 WeakPolarHBondContact OD2-CB 3.4Å; D29-A32 PolarHBondContact OD2-N 3.46Å; D29-A32 VanDerWaalsContact OD2-N 3.15Å; D29-R33 WeakPolarHBondContact O-CB 3.14Å; D29-R33 PolarHBondContact O-N 3.37Å; D29-R33 VanDerWaalsContact O-N 3.11Å; D29-L150 HydrophobicContact CB-CD2 3.63Å
30Y95.5Very high95.8Very high78 Ų7891.1 Ų91.131%0.30641%0.41SS..Hα-helixtrans-72.7-19.6178.8-77.7-84.8000112.2F20 R22 R23 T28 K34F20-Y30 HydrophobicContact CB-CD2 4.19Å; F20-Y30 HydrophobicContact CB-CE2 3.51Å; F20-Y30 HydrophobicContact CD2-CD2 4.06Å; F20-Y30 HydrophobicContact CD2-CE2 4.17Å; F20-Y30 HydrophobicContact CD2-CG 4.25Å; F20-Y30 HydrophobicContact CG-CE2 4.23Å; R22-Y30 HydrophobicContact CB-CE2 4.22Å; R23-Y30 HydrophobicContact CB-CD2 4.18Å; R23-Y30 HydrophobicContact CB-CE2 4.1Å; T28-Y30 HydrophobicContact CG2-CD2 4.38Å; T28-Y30 HydrophobicContact CG2-CE2 4.41Å; T28-Y30 HydrophobicContact CG2-CG 4.47Å; Y30-K34 VanDerWaalsContact O-CB 3.27Å; Y30-K34 WeakPolarHBondContact O-CB 3.31Å; Y30-K34 PolarHBondContact O-N 3.36Å
31Y95.3Very high95.8Very high147 Ų14793.3 Ų93.358%0.57642%0.419SS*.Hα-helixtrans-68.3-54.3175.8-172.9-103.4000111D29 R33 K34 R35D29-Y31 PolarHBondContact O-N 3.42Å; D29-Y31 WeakPolarHBondContact OD1-CB 3.45Å; D29-Y31 PolarHBondContact OD1-N 3.34Å; Y31-R33 PolarHBondContact O-N 3.22Å; Y31-K34 PolarHBondContact O-N 3.11Å; Y31-R35 VanDerWaalsContact CE1-CZ 3.45Å; Y31-R35 VanDerWaalsContact CZ-NH2 3.33Å; Y31-R35 PolarHBondContact OH-NH2 3.08Å
32A95.1Very high95.7Very high36 Ų3690.9 Ų90.930%0.29842%0.419SS..Hα-helixtrans-58.6-45.3172.400000112.1D29 K34 R35 L36D29-A32 HydrophobicContact CB-CB 4.36Å; D29-A32 WeakPolarHBondContact OD2-CB 3.4Å; D29-A32 PolarHBondContact OD2-N 3.46Å; D29-A32 VanDerWaalsContact OD2-N 3.15Å; A32-K34 VanDerWaalsContact C-N 3.34Å; A32-K34 PolarHBondContact O-N 3.37Å; A32-R35 PolarHBondContact O-N 3.26Å; A32-L36 PolarHBondContact O-N 3.23Å
33R95.5Very high95.7Very high54 Ų5490.4 Ų90.420%0.20442%0.419CS..Hα-helixtrans-61.9-38.4-179.2-173.7173.9171103.9-1.5113T28 D29 Y31 R35 L36 V37 D72T28-R33 HydrophobicContact CG2-CB 4.32Å; D29-R33 WeakPolarHBondContact O-CB 3.14Å; D29-R33 PolarHBondContact O-N 3.37Å; D29-R33 VanDerWaalsContact O-N 3.11Å; Y31-R33 PolarHBondContact O-N 3.22Å; R33-R35 VanDerWaalsContact C-N 3.31Å; R33-R35 PolarHBondContact O-N 2.89Å; R33-L36 PolarHBondContact O-N 2.76Å; R33-V37 HydrophobicContact CG-CG2 4.07Å; R33-V37 WeakPolarHBondContact O-CB 3.33Å; R33-V37 WeakPolarHBondContact O-CG2 3.39Å; R33-V37 PolarHBondContact O-N 2.97Å; R33-D72 IonicContact CZ-OD1 3.64Å; R33-D72 IonicContact CZ-OD2 2.72Å; R33-D72 VanDerWaalsContact CZ-OD2 3.25Å; R33-D72 IonicContact NH1-OD2 3.68Å; R33-D72 PolarHBondContact NH1-OD2 3.13Å; R33-D72 IonicContact NH2-OD1 2.77Å; R33-D72 PolarHBondContact NH2-OD1 3.15Å; R33-D72 IonicContact NH2-OD2 3.22Å; R33-D72 PolarHBondContact NH2-OD2 2.99Å
34K95.9Very high95.6Very high139 Ų13995.1 Ų95.160%0.60444%0.439SS*.Hα-helixtrans-56.4-46.3176.4178.6179.1177.1-1760110.8Y30 Y31 A32 L36 V37 I38Y30-K34 VanDerWaalsContact O-CB 3.27Å; Y30-K34 WeakPolarHBondContact O-CB 3.31Å; Y30-K34 PolarHBondContact O-N 3.36Å; Y31-K34 PolarHBondContact O-N 3.11Å; A32-K34 VanDerWaalsContact C-N 3.34Å; A32-K34 PolarHBondContact O-N 3.37Å; K34-L36 VanDerWaalsContact C-N 3.33Å; K34-L36 PolarHBondContact O-N 2.97Å; K34-V37 PolarHBondContact O-N 3.31Å; K34-I38 HydrophobicContact CD-CD1 4.17Å; K34-I38 HydrophobicContact CG-CD1 3.47Å; K34-I38 VanDerWaalsContact CG-CD1 3.47Å; K34-I38 HydrophobicContact CG-CG1 4.2Å; K34-I38 WeakPolarHBondContact O-CB 3.37Å; K34-I38 VanDerWaalsContact O-CG1 3.22Å; K34-I38 WeakPolarHBondContact O-CG1 3.3Å; K34-I38 PolarHBondContact O-N 3.1Å
35R96.1Very high95.4Very high161 Ų16195.3 Ų95.361%0.60845%0.451SS*.Hα-helixtrans-65.9-34.1-179.7-64.6175.5173-164.6-9.9113.1Y31 A32 R33Y31-R35 VanDerWaalsContact CE1-CZ 3.45Å; Y31-R35 VanDerWaalsContact CZ-NH2 3.33Å; Y31-R35 PolarHBondContact OH-NH2 3.08Å; A32-R35 PolarHBondContact O-N 3.26Å; R33-R35 VanDerWaalsContact C-N 3.31Å; R33-R35 PolarHBondContact O-N 2.89Å
36L95.9Very high95.4Very high36 Ų3695.2 Ų95.219%0.18846%0.457CS..Hα-helixtrans-76.6-30.7178-68.5169.7000113.2A32 R33 K34 K48 R50 D147A32-L36 PolarHBondContact O-N 3.23Å; R33-L36 PolarHBondContact O-N 2.76Å; K34-L36 VanDerWaalsContact C-N 3.33Å; K34-L36 PolarHBondContact O-N 2.97Å; L36-K48 WeakPolarHBondContact O-CD 3.36Å; L36-K48 VanDerWaalsContact O-CE 3.31Å; L36-K48 WeakPolarHBondContact O-CE 3.45Å; L36-R50 HydrophobicContact CB-CG 4.35Å; L36-D147 HydrophobicContact CD1-CB 3.84Å
37V95.8Very high95.4Very high51 Ų5195.1 Ų95.131%0.30945%0.448SS..Hα-helixtrans-89.5-35-176.1171.10000112.7R33 K34 Q39 A67R33-V37 HydrophobicContact CG-CG2 4.07Å; R33-V37 WeakPolarHBondContact O-CB 3.33Å; R33-V37 WeakPolarHBondContact O-CG2 3.39Å; R33-V37 PolarHBondContact O-N 2.97Å; K34-V37 PolarHBondContact O-N 3.31Å; V37-Q39 PolarHBondContact O-N 2.82Å; V37-A67 HydrophobicContact CG1-CB 3.61Å; V37-A67 HydrophobicContact CG2-CB 4.14Å
38I95.6Very high95.5Very high94 Ų9491.8 Ų91.848%0.48243%0.433SS..  trans-59127178.5-72.2171.1000109.3K34 K48K34-I38 HydrophobicContact CD-CD1 4.17Å; K34-I38 HydrophobicContact CG-CD1 3.47Å; K34-I38 VanDerWaalsContact CG-CD1 3.47Å; K34-I38 HydrophobicContact CG-CG1 4.2Å; K34-I38 WeakPolarHBondContact O-CB 3.37Å; K34-I38 VanDerWaalsContact O-CG1 3.22Å; K34-I38 WeakPolarHBondContact O-CG1 3.3Å; K34-I38 PolarHBondContact O-N 3.1Å; I38-K48 WeakPolarHBondContact O-CD 3.44Å; I38-K48 PolarHBondContact O-NZ 3.19Å
39Q94.9Very high95.5Very high47 Ų4793.8 Ų93.822%0.2244%0.44CS..  trans-120149.3173.8-177.770.9-60.300108.1V37 K41 K43 K48V37-Q39 PolarHBondContact O-N 2.82Å; Q39-K41 PolarHBondContact O-N 2.77Å; Q39-K43 VanDerWaalsContact CD-CD 3.43Å; Q39-K43 HydrophobicContact CG-CB 4.03Å; Q39-K43 HydrophobicContact CG-CD 3.99Å; Q39-K48 HydrophobicContact CB-CB 4.3Å; Q39-K48 HydrophobicContact CB-CD 4.25Å
40D96Very high95.7Very high87 Ų8791.4 Ų91.447%0.46543%0.427SS..  trans-61.7133.4176-50.6-43.5000109.9N42 K43D40-N42 WeakPolarHBondContact CB-OD1 3.25Å; D40-N42 PolarHBondContact O-N 3.25Å; D40-K43 HydrophobicContact CB-CD 4.25Å; D40-K43 HydrophobicContact CB-CG 4.46Å; D40-K43 WeakPolarHBondContact O-CB 3.4Å; D40-K43 PolarHBondContact O-N 3.17Å; D40-K43 IonicContact OD2-NZ 2.97Å; D40-K43 PolarHBondContact OD2-NZ 3.37Å
41K95.2Very high95.8Very high197 Ų19787.7 Ų87.786%0.85741%0.413SS*.G310 helixtrans-65.6-24.4-174.3-66-176.7-180179.60113Q39 K43 Y44Q39-K41 PolarHBondContact O-N 2.77Å; K41-K43 PolarHBondContact O-N 2.68Å; K41-Y44 PolarHBondContact O-N 3.34Å; K41-Y44 VanDerWaalsContact O-N 3.12Å
42N96.9Very high96Very high117 Ų11781.6 Ų81.663%0.62639%0.39SS*.G310 helixtrans-68.9-11174.364.6-10.8000113.4D40 Y44D40-N42 WeakPolarHBondContact CB-OD1 3.25Å; D40-N42 PolarHBondContact O-N 3.25Å; N42-Y44 VanDerWaalsContact C-N 3.32Å; N42-Y44 VanDerWaalsContact O-CD2 3.24Å; N42-Y44 WeakPolarHBondContact O-CD2 3.46Å; N42-Y44 WeakPolarHBondContact O-CE2 3.29Å
43K95.5Very high96.1Very high82 Ų8279.9 Ų79.936%0.35738%0.376SS..G310 helixtrans-89.54.5171.8-63.8171.1177.7154.50112.8Q39 D40 K41 N45 T46Q39-K43 VanDerWaalsContact CD-CD 3.43Å; Q39-K43 HydrophobicContact CG-CB 4.03Å; Q39-K43 HydrophobicContact CG-CD 3.99Å; D40-K43 HydrophobicContact CB-CD 4.25Å; D40-K43 HydrophobicContact CB-CG 4.46Å; D40-K43 WeakPolarHBondContact O-CB 3.4Å; D40-K43 PolarHBondContact O-N 3.17Å; D40-K43 IonicContact OD2-NZ 2.97Å; D40-K43 PolarHBondContact OD2-NZ 3.37Å; K41-K43 PolarHBondContact O-N 2.68Å; K43-N45 PolarHBondContact O-N 3.25Å; K43-N45 VanDerWaalsContact O-N 3.16Å; K43-T46 VanDerWaalsContact O-CB 3.23Å; K43-T46 WeakPolarHBondContact O-CB 3.41Å; K43-T46 PolarHBondContact O-N 3.12Å; K43-T46 PolarHBondContact O-OG1 3.48Å; K43-T46 VanDerWaalsContact O-OG1 3.08Å
44Y94Very high96.2Very high211 Ų21180.6 Ų80.683%0.82738%0.378SS*.THydrogen-bonded Turntrans45.7-116.8174.5-58.6-81.1000113.4K41 N42K41-Y44 PolarHBondContact O-N 3.34Å; K41-Y44 VanDerWaalsContact O-N 3.12Å; N42-Y44 VanDerWaalsContact C-N 3.32Å; N42-Y44 VanDerWaalsContact O-CD2 3.24Å; N42-Y44 WeakPolarHBondContact O-CD2 3.46Å; N42-Y44 WeakPolarHBondContact O-CE2 3.29Å
45N93.1Very high96.3Very high157 Ų15776.5 Ų76.584%0.8437%0.365SS*.THydrogen-bonded Turntrans-92.612.2-176.5-161.624.9000113.4K43 P47K43-N45 PolarHBondContact O-N 3.25Å; K43-N45 VanDerWaalsContact O-N 3.16Å; N45-P47 WeakPolarHBondContact O-CD 3.45Å
46T95.2Very high96.3Very high87 Ų8771.5 Ų71.553%0.53435%0.352SS..  trans-69.1118.3178.4-60.60000110.3K43 K48K43-T46 VanDerWaalsContact O-CB 3.23Å; K43-T46 WeakPolarHBondContact O-CB 3.41Å; K43-T46 PolarHBondContact O-N 3.12Å; K43-T46 PolarHBondContact O-OG1 3.48Å; K43-T46 VanDerWaalsContact O-OG1 3.08Å; T46-K48 PolarHBondContact O-N 2.92Å
47P95.4Very high96.3Very high44 Ų4477.5 Ų77.529%0.28639%0.385SS..  trans-67.2131.2-177.326.7-34.1000111.4N45 Y49 Y66N45-P47 WeakPolarHBondContact O-CD 3.45Å; P47-Y49 HydrophobicContact CB-CE1 4.11Å; P47-Y49 HydrophobicContact CB-CE2 4.31Å; P47-Y49 HydrophobicContact CG-CE1 4.08Å; P47-Y49 HydrophobicContact CG-CE2 3.77Å; P47-Y49 VanDerWaalsContact CG-CZ 3.43Å; P47-Y49 VanDerWaalsContact CG-OH 3.23Å; P47-Y49 WeakPolarHBondContact CG-OH 3.43Å; P47-Y66 HydrophobicContact CB-CD1 4.37Å; P47-Y66 HydrophobicContact CB-CD2 3.84Å; P47-Y66 HydrophobicContact CB-CE2 4.48Å; P47-Y66 HydrophobicContact CB-CG 3.76Å
48K97.2Very high96.2Very high43 Ų4385.4 Ų85.419%0.18741%0.409CS..  trans-87.5106.3168.6-170169.3177.2170.10109.6L36 I38 Q39 T46 Y145L36-K48 WeakPolarHBondContact O-CD 3.36Å; L36-K48 VanDerWaalsContact O-CE 3.31Å; L36-K48 WeakPolarHBondContact O-CE 3.45Å; I38-K48 WeakPolarHBondContact O-CD 3.44Å; I38-K48 PolarHBondContact O-NZ 3.19Å; Q39-K48 HydrophobicContact CB-CB 4.3Å; Q39-K48 HydrophobicContact CB-CD 4.25Å; T46-K48 PolarHBondContact O-N 2.92Å; K48-Y145 HydrophobicContact CD-CE2 4.32Å; K48-Y145 HydrophobicContact CG-CD2 4Å; K48-Y145 HydrophobicContact CG-CE2 3.85Å
49Y97.9Very high96.4Very high50 Ų5082.1 Ų82.120%0.19639%0.392CS..  trans-80.5139.9-177-61.7-73.2000112.6P47 I64 Y66 V75 F142 C144 Y145P47-Y49 HydrophobicContact CB-CE1 4.11Å; P47-Y49 HydrophobicContact CB-CE2 4.31Å; P47-Y49 HydrophobicContact CG-CE1 4.08Å; P47-Y49 HydrophobicContact CG-CE2 3.77Å; P47-Y49 VanDerWaalsContact CG-CZ 3.43Å; P47-Y49 VanDerWaalsContact CG-OH 3.23Å; P47-Y49 WeakPolarHBondContact CG-OH 3.43Å; Y49-I64 HydrophobicContact CD1-CG2 4.12Å; Y49-Y66 AromaticContact CD1-CD1 4Å; Y49-Y66 HydrophobicContact CD1-CD1 4Å; Y49-Y66 HydrophobicContact CD1-CG 4.43Å; Y49-Y66 AromaticContact CE1-CD1 3.65Å; Y49-Y66 HydrophobicContact CE1-CD1 3.65Å; Y49-Y66 HydrophobicContact CE1-CE1 4.33Å; Y49-Y66 HydrophobicContact CE1-CG 4.27Å; Y49-V75 HydrophobicContact CD1-CG2 4.07Å; Y49-V75 HydrophobicContact CE1-CG2 3.74Å; Y49-F142 HydrophobicContact CD1-CE1 4.28Å; Y49-F142 AromaticContact CD1-CZ 3.68Å; Y49-F142 HydrophobicContact CD1-CZ 3.68Å; Y49-F142 AromaticContact CD2-CE1 3.78Å; Y49-F142 HydrophobicContact CD2-CE1 3.78Å; Y49-F142 HydrophobicContact CD2-CE2 4.07Å; Y49-F142 AromaticContact CD2-CZ 3.38Å; Y49-F142 HydrophobicContact CD2-CZ 3.38Å; Y49-F142 HydrophobicContact CE1-CE2 4.47Å; Y49-F142 AromaticContact CE1-CZ 3.83Å; Y49-F142 HydrophobicContact CE1-CZ 3.83Å; Y49-F142 HydrophobicContact CE2-CE1 4.36Å; Y49-F142 AromaticContact CE2-CE2 3.82Å; Y49-F142 HydrophobicContact CE2-CE2 3.82Å; Y49-F142 AromaticContact CE2-CZ 3.54Å; Y49-F142 HydrophobicContact CE2-CZ 3.54Å; Y49-F142 AromaticContact CG-CE1 3.72Å; Y49-F142 HydrophobicContact CG-CE1 3.72Å; Y49-F142 HydrophobicContact CG-CE2 4.49Å; Y49-F142 AromaticContact CG-CZ 3.44Å; Y49-F142 HydrophobicContact CG-CZ 3.44Å; Y49-F142 VanDerWaalsContact CG-CZ 3.44Å; Y49-F142 AromaticContact CZ-CZ 3.75Å; Y49-C144 WeakPolarHBondContact O-CA 3.4Å; Y49-Y145 WeakPolarHBondContact O-CD2 3.49Å; Y49-Y145 PolarHBondContact O-N 3.15Å
50R98.1Very high96.5Very high1 Ų179.9 Ų79.90%0.00438%0.382CS..EExtended strand (participates in β ladder)trans-125.6130.5177.3-62.5177.5-66.5134.3-1.6109.8L36 I52 I64 A65 D72 Y145 D147L36-R50 HydrophobicContact CB-CG 4.35Å; R50-I52 PolarHBondContact O-N 2.95Å; R50-I64 WeakPolarHBondContact O-CA 3.47Å; R50-A65 PolarHBondContact N-O 3.44Å; R50-A65 PolarHBondContact O-N 3.26Å; R50-D72 IonicContact CZ-OD2 2.69Å; R50-D72 IonicContact NH2-OD1 3.82Å; R50-D72 PolarHBondContact NH2-OD1 3.28Å; R50-D72 VanDerWaalsContact NH2-OD1 3.15Å; R50-D72 IonicContact NH2-OD2 3.63Å; R50-D72 PolarHBondContact NH2-OD2 3.35Å; R50-Y145 CarbonylContact C-O 3.35Å; R50-Y145 VanDerWaalsContact CA-O 3.22Å; R50-Y145 WeakPolarHBondContact CA-O 3.42Å; R50-D147 HydrophobicContact CB-CB 4.43Å; R50-D147 IonicContact NH1-OD2 2.78Å; R50-D147 PolarHBondContact NH1-OD2 3.18Å
51M98.2Very high96.6Very high0 Ų077.6 Ų77.60%037%0.369CS..EExtended strand (participates in β ladder)trans-85.4106.1168.1-173.6-165.4-178.800108.8V53 C62 Q63 L105 Y145 L146 D147 A162 A166 I173M51-V53 HydrophobicContact CE-CG2 3.75Å; M51-V53 HydrophobicContact CG-CG2 4.23Å; M51-V53 HydrophobicContact SD-CG2 4.17Å; M51-C62 HydrophobicContact CE-CB 4.48Å; M51-Q63 CarbonylContact C-O 3.59Å; M51-Q63 WeakPolarHBondContact CA-O 3.23Å; M51-L105 HydrophobicContact CE-CD2 3.96Å; M51-L105 HydrophobicContact CG-CD2 4.11Å; M51-Y145 PolarHBondContact N-O 3.09Å; M51-L146 HydrophobicContact SD-CD1 4.46Å; M51-D147 PolarHBondContact O-N 3.5Å; M51-A162 HydrophobicContact CE-CB 4.25Å; M51-A162 WeakPolarHBondContact CE-O 3.39Å; M51-A166 HydrophobicContact CE-CB 3.52Å; M51-A166 HydrophobicContact SD-CB 3.78Å; M51-I173 HydrophobicContact CB-CD1 4.39Å; M51-I173 HydrophobicContact SD-CD1 3.49Å; M51-I173 WeakPolarHBondContact SD-CD1 3.27Å
52I98.2Very high96.8Very high19 Ų1968.2 Ų68.210%0.09733%0.329CS..EExtended strand (participates in β ladder)trans-91.5114.9179.2-56174.5000108.4R50 R54 C62 Q63 A65 D147R50-I52 PolarHBondContact O-N 2.95Å; I52-R54 HydrophobicContact CG2-CG 4.08Å; I52-C62 WeakPolarHBondContact O-CA 3.3Å; I52-Q63 HydrophobicContact CB-CB 4.42Å; I52-Q63 PolarHBondContact N-O 3.5Å; I52-Q63 PolarHBondContact O-N 3.42Å; I52-A65 HydrophobicContact CD1-CB 3.82Å; I52-D147 HydrophobicContact CG1-CB 4.04Å
53V98.1Very high96.8Very high1 Ų164.1 Ų64.11%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-109.2123.8174.7-175.70000109.6M51 I61 L146 D147 V159 A162M51-V53 HydrophobicContact CE-CG2 3.75Å; M51-V53 HydrophobicContact CG-CG2 4.23Å; M51-V53 HydrophobicContact SD-CG2 4.17Å; V53-I61 CarbonylContact C-O 3.48Å; V53-I61 WeakPolarHBondContact CA-O 3.4Å; V53-L146 HydrophobicContact CG2-CD1 3.87Å; V53-D147 PolarHBondContact N-O 3.29Å; V53-V159 HydrophobicContact CB-CG1 4.15Å; V53-V159 HydrophobicContact CG1-CB 4.4Å; V53-V159 HydrophobicContact CG1-CG1 4.37Å; V53-V159 HydrophobicContact CG1-CG2 4.17Å; V53-A162 HydrophobicContact CG1-CB 3.86Å; V53-A162 HydrophobicContact CG2-CB 4.01Å
54R97.8Very high97Very high68 Ų6860.2 Ų60.226%0.25729%0.289SS..EExtended strand (participates in β ladder)trans-131.2114.8177.2-62.6-66178.4-90.2-0.8109.7I52 I61 D147 G149I52-R54 HydrophobicContact CG2-CG 4.08Å; R54-I61 HydrophobicContact CB-CB 4.31Å; R54-I61 PolarHBondContact N-O 3.19Å; R54-I61 PolarHBondContact O-N 2.93Å; R54-D147 IonicContact CZ-OD1 3.23Å; R54-D147 PolarHBondContact NH1-O 2.71Å; R54-D147 IonicContact NH1-OD1 2.82Å; R54-D147 IonicContact NH2-OD1 2.71Å; R54-D147 PolarHBondContact NH2-OD1 3.36Å; R54-D147 IonicContact NH2-OD2 3.84Å; R54-G149 VanDerWaalsContact NH2-CA 3.29Å
55V96.8Very high97.2Very high53 Ų5350.2 Ų50.232%0.32125%0.25SC..EExtended strand (participates in β ladder)trans-90.1124.6173.7-1770000108.3I60 K158 V159V55-I60 HydrophobicContact CG1-CG1 4.38Å; V55-I60 HydrophobicContact CG2-CG2 4.41Å; V55-K158 HydrophobicContact CG2-CB 4.16Å; V55-V159 HydrophobicContact CG2-CG2 4.48Å
56T96.3Very high97.4Very high56 Ų5644.6 Ų44.634%0.34422%0.217SC..  trans-106.6176170.474.20000109.4R58 D59 I61T56-R58 PolarHBondContact O-N 2.78Å; T56-D59 WeakPolarHBondContact CA-O 3.24Å; T56-D59 PolarHBondContact N-O 3.14Å; T56-D59 WeakPolarHBondContact OG1-CA 3.41Å; T56-D59 PolarHBondContact OG1-N 2.74Å; T56-D59 PolarHBondContact OG1-O 2.7Å; T56-I61 HydrophobicContact CG2-CD1 4.03Å
57N95.6Very high97.5Very high163 Ų16342.3 Ų42.387%0.87221%0.207SC*.SBendtrans-67.8-15.7-178.4-64.7-4.6000113.9
58R95.3Very high97.5Very high216 Ų21646.9 Ų46.982%0.81522%0.219SC*.SBendtrans-131.6-9.6-176.1-66.5-174178.8177.8-0.8114.5T56 T93T56-R58 PolarHBondContact O-N 2.78Å; R58-T93 VanDerWaalsContact C-CG2 3.49Å
59D97.7Very high97.4Very high25 Ų2553.6 Ų53.613%0.13426%0.255CS..  trans-151.9153.6-170.4-160.86.5000110.7T56 A80 H81T56-D59 WeakPolarHBondContact CA-O 3.24Å; T56-D59 PolarHBondContact N-O 3.14Å; T56-D59 WeakPolarHBondContact OG1-CA 3.41Å; T56-D59 PolarHBondContact OG1-N 2.74Å; T56-D59 PolarHBondContact OG1-O 2.7Å; D59-A80 WeakPolarHBondContact OD1-CA 3.35Å; D59-A80 WeakPolarHBondContact OD1-CB 3.47Å; D59-A80 PolarHBondContact OD1-N 3.31Å; D59-H81 PolarHBondContact OD1-N 3.34Å; D59-H81 VanDerWaalsContact OD1-N 3.13Å; D59-H81 IonicContact OD1-ND1 3.81Å; D59-H81 IonicContact OD2-CE1 2.78Å; D59-H81 IonicContact OD2-CG 2.72Å; D59-H81 IonicContact OD2-ND1 2.76Å; D59-H81 PolarHBondContact OD2-ND1 3.5Å
60I98.2Very high97.3Very high0 Ų060 Ų600%029%0.286CS..EExtended strand (participates in β ladder)trans-116.9124.2175-57.1169000107.2V55 Y79 A80 A97 A98 T101V55-I60 HydrophobicContact CG1-CG1 4.38Å; V55-I60 HydrophobicContact CG2-CG2 4.41Å; I60-Y79 CarbonylContact O-C 3.47Å; I60-Y79 WeakPolarHBondContact O-CA 3.49Å; I60-A80 HydrophobicContact CB-CB 4.03Å; I60-A80 HydrophobicContact CG1-CB 4.43Å; I60-A80 PolarHBondContact O-N 2.82Å; I60-A97 HydrophobicContact CD1-CB 4.23Å; I60-A98 HydrophobicContact CD1-CB 3.72Å; I60-A98 HydrophobicContact CG2-CB 4.45Å; I60-T101 HydrophobicContact CB-CG2 4.38Å
61I98.3Very high97.2Very high39 Ų3961.5 Ų61.520%0.230%0.302CS..EExtended strand (participates in β ladder)trans-110.6118.9-174.8-52176.2000107.9V53 R54 T56 Q63 Y79V53-I61 CarbonylContact C-O 3.48Å; V53-I61 WeakPolarHBondContact CA-O 3.4Å; R54-I61 HydrophobicContact CB-CB 4.31Å; R54-I61 PolarHBondContact N-O 3.19Å; R54-I61 PolarHBondContact O-N 2.93Å; T56-I61 HydrophobicContact CG2-CD1 4.03Å; I61-Q63 HydrophobicContact CG2-CG 4.01Å; I61-Y79 HydrophobicContact CB-CD1 4.28Å; I61-Y79 HydrophobicContact CB-CE1 4.32Å; I61-Y79 HydrophobicContact CD1-CE1 4.39Å; I61-Y79 HydrophobicContact CG1-CD1 3.89Å; I61-Y79 HydrophobicContact CG1-CE1 4.08Å; I61-Y79 HydrophobicContact CG2-CD1 3.97Å; I61-Y79 HydrophobicContact CG2-CE1 3.58Å
62C98.5Very high97.1Very high0 Ų064 Ų640%032%0.315CS..EExtended strand (participates in β ladder)trans-119.6124.3176.7-67.30000108.4M51 I52 A77 A78 T101 L105M51-C62 HydrophobicContact CE-CB 4.48Å; I52-C62 WeakPolarHBondContact O-CA 3.3Å; C62-A77 WeakPolarHBondContact O-CA 3.42Å; C62-A78 PolarHBondContact N-O 3.33Å; C62-A78 PolarHBondContact O-N 3.41Å; C62-A78 VanDerWaalsContact O-O 3.1Å; C62-T101 PolarHBondContact SG-OG1 3.21Å; C62-L105 HydrophobicContact CB-CB 4.31Å; C62-L105 HydrophobicContact CB-CD2 3.72Å
63Q98.4Very high97.1Very high32 Ų3266.8 Ų66.815%0.1533%0.329CS..EExtended strand (participates in β ladder)trans-136.6148.7-177.6-65.2179.5-12.900111.2M51 I52 I61 I74 C76 A77 Y79M51-Q63 CarbonylContact C-O 3.59Å; M51-Q63 WeakPolarHBondContact CA-O 3.23Å; I52-Q63 HydrophobicContact CB-CB 4.42Å; I52-Q63 PolarHBondContact N-O 3.5Å; I52-Q63 PolarHBondContact O-N 3.42Å; I61-Q63 HydrophobicContact CG2-CG 4.01Å; Q63-I74 HydrophobicContact CB-CG2 4.5Å; Q63-C76 CarbonylContact C-O 3.58Å; Q63-C76 WeakPolarHBondContact CA-O 3.4Å; Q63-A77 HydrophobicContact CG-CB 3.89Å; Q63-Y79 PolarHBondContact NE2-OH 3Å
64I98.3Very high97.1Very high0 Ų071 Ų710%035%0.35CS..EExtended strand (participates in β ladder)trans-108.4124167.3-62.7-178.7000107.8Y49 R50 V75 C76 L105 L109 F142 L171Y49-I64 HydrophobicContact CD1-CG2 4.12Å; R50-I64 WeakPolarHBondContact O-CA 3.47Å; I64-V75 HydrophobicContact CB-CB 4.47Å; I64-V75 HydrophobicContact CG2-CB 4.26Å; I64-V75 HydrophobicContact CG2-CG2 4.35Å; I64-V75 PolarHBondContact O-N 3.01Å; I64-C76 PolarHBondContact N-O 3.23Å; I64-C76 PolarHBondContact O-N 2.82Å; I64-L105 HydrophobicContact CD1-CD1 4.48Å; I64-L105 HydrophobicContact CD1-CD2 4.25Å; I64-L105 HydrophobicContact CD1-CG 4.13Å; I64-L105 HydrophobicContact CG1-CD1 4.15Å; I64-L105 HydrophobicContact CG1-CD2 3.83Å; I64-L105 HydrophobicContact CG1-CG 4.06Å; I64-L109 HydrophobicContact CB-CD1 4.4Å; I64-L109 HydrophobicContact CD1-CB 4.17Å; I64-L109 HydrophobicContact CD1-CD1 3.87Å; I64-L109 HydrophobicContact CD1-CD2 3.25Å; I64-L109 HydrophobicContact CD1-CG 3.94Å; I64-L109 HydrophobicContact CG2-CD1 4.4Å; I64-F142 HydrophobicContact CG2-CE1 4.08Å; I64-F142 HydrophobicContact CG2-CZ 4.26Å; I64-L171 HydrophobicContact CD1-CD1 3.6Å
65A98Very high97Very high1 Ų168.5 Ų68.51%0.00834%0.343CS..EExtended strand (participates in β ladder)trans-139.6154-178.500000112R50 I52 M73 I74R50-A65 PolarHBondContact N-O 3.44Å; R50-A65 PolarHBondContact O-N 3.26Å; I52-A65 HydrophobicContact CD1-CB 3.82Å; A65-M73 WeakPolarHBondContact CA-O 3.3Å; A65-M73 WeakPolarHBondContact CB-O 3.37Å; A65-I74 HydrophobicContact CB-CG1 4.47Å
66Y97.5Very high97Very high39 Ų3966.4 Ų66.415%0.15333%0.331CS..EExtended strand (participates in β ladder)trans-127.7155.6168.562.6-85.5000109.2P47 Y49 R68 D72 M73 V75P47-Y66 HydrophobicContact CB-CD1 4.37Å; P47-Y66 HydrophobicContact CB-CD2 3.84Å; P47-Y66 HydrophobicContact CB-CE2 4.48Å; P47-Y66 HydrophobicContact CB-CG 3.76Å; Y49-Y66 AromaticContact CD1-CD1 4Å; Y49-Y66 HydrophobicContact CD1-CD1 4Å; Y49-Y66 HydrophobicContact CD1-CG 4.43Å; Y49-Y66 AromaticContact CE1-CD1 3.65Å; Y49-Y66 HydrophobicContact CE1-CD1 3.65Å; Y49-Y66 HydrophobicContact CE1-CE1 4.33Å; Y49-Y66 HydrophobicContact CE1-CG 4.27Å; Y66-R68 HydrophobicContact CD2-CG 4.23Å; Y66-R68 HydrophobicContact CE2-CG 3.84Å; Y66-R68 PolarHBondContact OH-NH2 2.99Å; Y66-D72 CarbonylContact O-C 3.6Å; Y66-D72 WeakPolarHBondContact O-CA 3.1Å; Y66-M73 HydrophobicContact CD1-CB 4.29Å; Y66-M73 HydrophobicContact CD2-CB 4.42Å; Y66-M73 HydrophobicContact CE1-CB 3.72Å; Y66-M73 HydrophobicContact CE2-CB 3.87Å; Y66-M73 HydrophobicContact CE2-CG 4.12Å; Y66-M73 VanDerWaalsContact CZ-CB 3.48Å; Y66-M73 PolarHBondContact N-O 2.97Å; Y66-M73 VanDerWaalsContact N-O 3.09Å; Y66-M73 PolarHBondContact O-N 3.1Å; Y66-V75 HydrophobicContact CD1-CG2 3.61Å; Y66-V75 HydrophobicContact CE1-CG2 3.65Å
67A97Very high97.1Very high39 Ų3964.8 Ų64.832%0.32232%0.323SS..EExtended strand (participates in β ladder)trans-87.4139.5-176.900000111.2V37V37-A67 HydrophobicContact CG1-CB 3.61Å; V37-A67 HydrophobicContact CG2-CB 4.14Å
68R95.9Very high97.2Very high140 Ų14057 Ų5753%0.52828%0.282SS..  trans-125.5170.8162.9-67.8-169.7171.5175.21.9109.7Y66 E70 G71 M73Y66-R68 HydrophobicContact CD2-CG 4.23Å; Y66-R68 HydrophobicContact CE2-CG 3.84Å; Y66-R68 PolarHBondContact OH-NH2 2.99Å; R68-E70 VanDerWaalsContact C-N 3.3Å; R68-E70 PolarHBondContact O-N 3.45Å; R68-G71 WeakPolarHBondContact CA-O 3.42Å; R68-G71 WeakPolarHBondContact CB-O 3.47Å; R68-G71 PolarHBondContact N-O 3.49Å; R68-G71 PolarHBondContact O-N 2.87Å; R68-M73 HydrophobicContact CG-CG 4.02Å
69I95.4Very high97.3Very high184 Ų18449.7 Ų49.794%0.94425%0.254SS*.SBendtrans-60.6-40.5178.6-60.2173.2000111.2G71I69-G71 VanDerWaalsContact C-N 3.35Å
70E96.6Very high97.3Very high184 Ų18448.5 Ų48.586%0.8625%0.248SC*.SBendtrans-71.1-29.5178.6-60.9177.1167.400113R68R68-E70 VanDerWaalsContact C-N 3.3Å; R68-E70 PolarHBondContact O-N 3.45Å
71G95.2Very high97.2Very high33 Ų3352.8 Ų52.834%0.3427%0.268SS..  trans158.8178.4-174.800000113R68 I69R68-G71 WeakPolarHBondContact CA-O 3.42Å; R68-G71 WeakPolarHBondContact CB-O 3.47Å; R68-G71 PolarHBondContact N-O 3.49Å; R68-G71 PolarHBondContact O-N 2.87Å; I69-G71 VanDerWaalsContact C-N 3.35Å
72D97Very high97.1Very high51 Ų5151.7 Ų51.727%0.27326%0.262SS..EExtended strand (participates in β ladder)trans-74.6132.7173.3-70.6-6.2000109.8R33 R50 Y66R33-D72 IonicContact CZ-OD1 3.64Å; R33-D72 IonicContact CZ-OD2 2.72Å; R33-D72 VanDerWaalsContact CZ-OD2 3.25Å; R33-D72 IonicContact NH1-OD2 3.68Å; R33-D72 PolarHBondContact NH1-OD2 3.13Å; R33-D72 IonicContact NH2-OD1 2.77Å; R33-D72 PolarHBondContact NH2-OD1 3.15Å; R33-D72 IonicContact NH2-OD2 3.22Å; R33-D72 PolarHBondContact NH2-OD2 2.99Å; R50-D72 IonicContact CZ-OD2 2.69Å; R50-D72 IonicContact NH2-OD1 3.82Å; R50-D72 PolarHBondContact NH2-OD1 3.28Å; R50-D72 VanDerWaalsContact NH2-OD1 3.15Å; R50-D72 IonicContact NH2-OD2 3.63Å; R50-D72 PolarHBondContact NH2-OD2 3.35Å; Y66-D72 CarbonylContact O-C 3.6Å; Y66-D72 WeakPolarHBondContact O-CA 3.1Å
73M97.4Very high97Very high78 Ų7851.7 Ų51.738%0.38426%0.262SS..EExtended strand (participates in β ladder)trans-97.4123172.2-65.1-59.2-68.800109.1A65 Y66 R68A65-M73 WeakPolarHBondContact CA-O 3.3Å; A65-M73 WeakPolarHBondContact CB-O 3.37Å; Y66-M73 HydrophobicContact CD1-CB 4.29Å; Y66-M73 HydrophobicContact CD2-CB 4.42Å; Y66-M73 HydrophobicContact CE1-CB 3.72Å; Y66-M73 HydrophobicContact CE2-CB 3.87Å; Y66-M73 HydrophobicContact CE2-CG 4.12Å; Y66-M73 VanDerWaalsContact CZ-CB 3.48Å; Y66-M73 PolarHBondContact N-O 2.97Å; Y66-M73 VanDerWaalsContact N-O 3.09Å; Y66-M73 PolarHBondContact O-N 3.1Å; R68-M73 HydrophobicContact CG-CG 4.02Å
74I97.6Very high96.9Very high89 Ų8952.7 Ų52.746%0.45627%0.271SS..EExtended strand (participates in β ladder)trans-83.7124175.3-60.5170.6000108.6Q63 A65 C76 A77Q63-I74 HydrophobicContact CB-CG2 4.5Å; A65-I74 HydrophobicContact CB-CG1 4.47Å; I74-C76 WeakPolarHBondContact CG2-O 3.48Å; I74-A77 HydrophobicContact CG2-CB 4.36Å
75V96.5Very high96.8Very high16 Ų1658.9 Ų58.910%0.09730%0.298CS..EExtended strand (participates in β ladder)trans-84.8-49.2174.4-173.60000110.1Y49 I64 Y66 L109 R112 F113Y49-V75 HydrophobicContact CD1-CG2 4.07Å; Y49-V75 HydrophobicContact CE1-CG2 3.74Å; I64-V75 HydrophobicContact CB-CB 4.47Å; I64-V75 HydrophobicContact CG2-CB 4.26Å; I64-V75 HydrophobicContact CG2-CG2 4.35Å; I64-V75 PolarHBondContact O-N 3.01Å; Y66-V75 HydrophobicContact CD1-CG2 3.61Å; Y66-V75 HydrophobicContact CE1-CG2 3.65Å; V75-L109 HydrophobicContact CB-CD1 4.23Å; V75-L109 HydrophobicContact CG1-CD1 3.58Å; V75-R112 PolarHBondContact O-NH1 3.3Å; V75-F113 HydrophobicContact CG1-CE2 3.9Å; V75-F113 HydrophobicContact CG1-CZ 3.87Å
76C96.7Very high96.7Very high10 Ų1060 Ų607%0.06830%0.302CS..EExtended strand (participates in β ladder)trans-145151.5-177.7-166.10000109.5Q63 I64 I74 L105 R108 L109Q63-C76 CarbonylContact C-O 3.58Å; Q63-C76 WeakPolarHBondContact CA-O 3.4Å; I64-C76 PolarHBondContact N-O 3.23Å; I64-C76 PolarHBondContact O-N 2.82Å; I74-C76 WeakPolarHBondContact CG2-O 3.48Å; C76-L105 HydrophobicContact CB-CD1 3.92Å; C76-R108 WeakPolarHBondContact SG-CD 3.38Å; C76-R108 WeakPolarHBondContact SG-CG 3.43Å; C76-L109 HydrophobicContact CB-CB 4.37Å; C76-L109 HydrophobicContact CB-CD1 3.67Å
77A97.5Very high96.6Very high22 Ų2260 Ų6018%0.18232%0.315CS..EExtended strand (participates in β ladder)trans-140.7144.3176.600000109.5C62 Q63 I74 Y79 R108C62-A77 WeakPolarHBondContact O-CA 3.42Å; Q63-A77 HydrophobicContact CG-CB 3.89Å; I74-A77 HydrophobicContact CG2-CB 4.36Å; A77-Y79 HydrophobicContact CB-CE2 3.86Å; A77-R108 PolarHBondContact O-NH1 3.02Å
78A97.9Very high96.6Very high0 Ų058.2 Ų58.20%030%0.299CS..EExtended strand (participates in β ladder)trans-137.7147.8169.500000108.8C62 L104 L105C62-A78 PolarHBondContact N-O 3.33Å; C62-A78 PolarHBondContact O-N 3.41Å; C62-A78 VanDerWaalsContact O-O 3.1Å; A78-L104 HydrophobicContact CB-CB 4.28Å; A78-L104 HydrophobicContact CB-CD2 4.1Å; A78-L104 HydrophobicContact CB-CG 4.01Å; A78-L105 HydrophobicContact CB-CB 3.89Å; A78-L105 HydrophobicContact CB-CD1 4.42Å
79Y97.9Very high96.5Very high62 Ų6257.7 Ų57.724%0.24330%0.301CS..EExtended strand (participates in β ladder)trans-132.8147.5-177.2-58.2-95.4000110.1I60 I61 Q63 A77 H81 E82I60-Y79 CarbonylContact O-C 3.47Å; I60-Y79 WeakPolarHBondContact O-CA 3.49Å; I61-Y79 HydrophobicContact CB-CD1 4.28Å; I61-Y79 HydrophobicContact CB-CE1 4.32Å; I61-Y79 HydrophobicContact CD1-CE1 4.39Å; I61-Y79 HydrophobicContact CG1-CD1 3.89Å; I61-Y79 HydrophobicContact CG1-CE1 4.08Å; I61-Y79 HydrophobicContact CG2-CD1 3.97Å; I61-Y79 HydrophobicContact CG2-CE1 3.58Å; Q63-Y79 PolarHBondContact NE2-OH 3Å; A77-Y79 HydrophobicContact CB-CE2 3.86Å; Y79-H81 WeakPolarHBondContact CB-CE1 3.22Å; Y79-H81 VanDerWaalsContact CB-ND1 3.27Å; Y79-H81 WeakPolarHBondContact CB-ND1 3.28Å; Y79-H81 AromaticContact CD1-CE1 3.82Å; Y79-H81 AromaticContact CD2-CE1 3.99Å; Y79-H81 AromaticContact CG-CE1 3.4Å; Y79-H81 VanDerWaalsContact CG-CE1 3.4Å; Y79-H81 AromaticContact CG-ND1 3.93Å; Y79-H81 PolarHBondContact O-N 2.93Å; Y79-E82 WeakPolarHBondContact CD2-OE1 3.47Å; Y79-E82 WeakPolarHBondContact O-CB 3.34Å; Y79-E82 PolarHBondContact O-N 2.8Å
80A97.9Very high96.5Very high0 Ų049.2 Ų49.20%026%0.258CS..G310 helixtrans-64.7-29.7179.400000112.2D59 I60 E82 L83 L92 T101D59-A80 WeakPolarHBondContact OD1-CA 3.35Å; D59-A80 WeakPolarHBondContact OD1-CB 3.47Å; D59-A80 PolarHBondContact OD1-N 3.31Å; I60-A80 HydrophobicContact CB-CB 4.03Å; I60-A80 HydrophobicContact CG1-CB 4.43Å; I60-A80 PolarHBondContact O-N 2.82Å; A80-E82 PolarHBondContact O-N 3.38Å; A80-L83 HydrophobicContact CB-CD1 4.17Å; A80-L83 VanDerWaalsContact O-CB 3.24Å; A80-L83 WeakPolarHBondContact O-CB 3.22Å; A80-L83 WeakPolarHBondContact O-CG 3.37Å; A80-L83 PolarHBondContact O-N 3.09Å; A80-L92 HydrophobicContact CB-CB 4.01Å; A80-L92 VanDerWaalsContact CB-O 3.31Å; A80-L92 WeakPolarHBondContact CB-O 3.46Å; A80-L92 WeakPolarHBondContact O-CD2 3.49Å; A80-T101 HydrophobicContact CB-CG2 3.66Å
81H96.4Very high96.5Very high90 Ų9041.2 Ų41.242%0.41723%0.225SC..G310 helixtrans-65.5-5.8173.672.3-100.5000114.7D59 Y79 P84D59-H81 PolarHBondContact OD1-N 3.34Å; D59-H81 VanDerWaalsContact OD1-N 3.13Å; D59-H81 IonicContact OD1-ND1 3.81Å; D59-H81 IonicContact OD2-CE1 2.78Å; D59-H81 IonicContact OD2-CG 2.72Å; D59-H81 IonicContact OD2-ND1 2.76Å; D59-H81 PolarHBondContact OD2-ND1 3.5Å; Y79-H81 WeakPolarHBondContact CB-CE1 3.22Å; Y79-H81 VanDerWaalsContact CB-ND1 3.27Å; Y79-H81 WeakPolarHBondContact CB-ND1 3.28Å; Y79-H81 AromaticContact CD1-CE1 3.82Å; Y79-H81 AromaticContact CD2-CE1 3.99Å; Y79-H81 AromaticContact CG-CE1 3.4Å; Y79-H81 VanDerWaalsContact CG-CE1 3.4Å; Y79-H81 AromaticContact CG-ND1 3.93Å; Y79-H81 PolarHBondContact O-N 2.93Å; H81-P84 WeakPolarHBondContact O-CD 3.39Å
82E95.9Very high96.6Very high16 Ų1641.3 Ų41.38%0.07522%0.217CC..G310 helixtrans-86.1-23.4169-59.8-179.7-161.900112.3Y79 A80 P84 K85 L104 R108Y79-E82 WeakPolarHBondContact CD2-OE1 3.47Å; Y79-E82 WeakPolarHBondContact O-CB 3.34Å; Y79-E82 PolarHBondContact O-N 2.8Å; A80-E82 PolarHBondContact O-N 3.38Å; E82-P84 VanDerWaalsContact C-N 3.31Å; E82-K85 VanDerWaalsContact O-CB 3.29Å; E82-K85 WeakPolarHBondContact O-CB 3.16Å; E82-K85 WeakPolarHBondContact O-CG 3.46Å; E82-K85 PolarHBondContact O-N 2.99Å; E82-L104 HydrophobicContact CB-CD2 4.24Å; E82-R108 IonicContact OE1-NH1 2.85Å; E82-R108 IonicContact OE2-CZ 2.94Å; E82-R108 VanDerWaalsContact OE2-CZ 3.23Å; E82-R108 IonicContact OE2-NH1 3.92Å; E82-R108 PolarHBondContact OE2-NH1 3.32Å; E82-R108 IonicContact OE2-NH2 2.78Å; E82-R108 PolarHBondContact OE2-NH2 3.36Å
83L96.9Very high96.5Very high0 Ų041.3 Ų41.30%022%0.219CC..G310 helixtrans-58.2-28.5-177.8-59.8177.9000115.6A80 K85 Y86 G87 V88 L92 A97 C100 T101 I247A80-L83 HydrophobicContact CB-CD1 4.17Å; A80-L83 VanDerWaalsContact O-CB 3.24Å; A80-L83 WeakPolarHBondContact O-CB 3.22Å; A80-L83 WeakPolarHBondContact O-CG 3.37Å; A80-L83 PolarHBondContact O-N 3.09Å; L83-K85 PolarHBondContact O-N 2.95Å; L83-K85 VanDerWaalsContact O-N 3.14Å; L83-Y86 CarbonylContact O-C 3.54Å; L83-Y86 WeakPolarHBondContact O-CA 3.2Å; L83-Y86 PolarHBondContact O-N 2.95Å; L83-G87 PolarHBondContact O-N 2.89Å; L83-V88 CarbonylContact C-O 3.59Å; L83-V88 HydrophobicContact CB-CB 3.96Å; L83-V88 PolarHBondContact O-N 3.28Å; L83-L92 HydrophobicContact CB-CD2 4.2Å; L83-L92 HydrophobicContact CD1-CD2 4.41Å; L83-A97 HydrophobicContact CD1-CB 3.9Å; L83-C100 HydrophobicContact CD1-CB 3.95Å; L83-C100 HydrophobicContact CD2-CB 3.58Å; L83-C100 HydrophobicContact CG-CB 4.43Å; L83-T101 HydrophobicContact CD1-CG2 3.94Å; L83-T101 HydrophobicContact CD2-CG2 4.4Å; L83-T101 HydrophobicContact CG-CG2 4.2Å; L83-I247 HydrophobicContact CD2-CD1 4.16Å
84P96.4Very high96.5Very high53 Ų5338.6 Ų38.634%0.34421%0.206SC..G310 helixtrans-56.7-26.4171.6-29.136.7000114.1H81 E82 Y86 G87 V88 L92H81-P84 WeakPolarHBondContact O-CD 3.39Å; E82-P84 VanDerWaalsContact C-N 3.31Å; P84-Y86 PolarHBondContact O-N 3.29Å; P84-G87 PolarHBondContact O-N 3.02Å; P84-V88 VanDerWaalsContact CA-O 3.27Å; P84-V88 WeakPolarHBondContact CA-O 3.41Å; P84-V88 WeakPolarHBondContact CG-O 3.46Å; P84-L92 HydrophobicContact CG-CD1 4.41Å; P84-L92 HydrophobicContact CG-CD2 4.41Å
85K95.2Very high96.5Very high130 Ų13035 Ų3557%0.56519%0.187SC*.G310 helixtrans-65.5-26.8172.9-63.6-172.7174.5-166.50112.8E82 L83 E254E82-K85 VanDerWaalsContact O-CB 3.29Å; E82-K85 WeakPolarHBondContact O-CB 3.16Å; E82-K85 WeakPolarHBondContact O-CG 3.46Å; E82-K85 PolarHBondContact O-N 2.99Å; L83-K85 PolarHBondContact O-N 2.95Å; L83-K85 VanDerWaalsContact O-N 3.14Å; K85-E254 IonicContact NZ-OE2 3.66Å; K85-E254 PolarHBondContact NZ-OE2 3.46Å
86Y96.7Very high96.6Very high23 Ų2334.3 Ų34.39%0.0918%0.183CC..G310 helixtrans-101.816.3-179-56.5-74.5000112.1L83 P84 L104 A243 A246 I247 N250L83-Y86 CarbonylContact O-C 3.54Å; L83-Y86 WeakPolarHBondContact O-CA 3.2Å; L83-Y86 PolarHBondContact O-N 2.95Å; P84-Y86 PolarHBondContact O-N 3.29Å; Y86-L104 HydrophobicContact CD2-CD2 4.47Å; Y86-L104 HydrophobicContact CE2-CD1 3.79Å; Y86-L104 HydrophobicContact CE2-CD2 3.79Å; Y86-L104 HydrophobicContact CE2-CG 4.44Å; Y86-L104 WeakPolarHBondContact OH-CD1 3.36Å; Y86-A243 VanDerWaalsContact O-CA 3.25Å; Y86-A243 WeakPolarHBondContact O-CA 3.31Å; Y86-A243 VanDerWaalsContact O-CB 3.28Å; Y86-A243 WeakPolarHBondContact O-CB 3.41Å; Y86-A246 HydrophobicContact CD1-CB 3.95Å; Y86-I247 HydrophobicContact CD1-CB 4.45Å; Y86-I247 HydrophobicContact CD1-CG1 3.74Å; Y86-I247 HydrophobicContact CD2-CG1 3.86Å; Y86-I247 HydrophobicContact CE1-CG1 4.13Å; Y86-I247 HydrophobicContact CE2-CG1 4.25Å; Y86-I247 HydrophobicContact CG-CD1 4.47Å; Y86-I247 HydrophobicContact CG-CG1 3.58Å; Y86-N250 WeakPolarHBondContact CE1-O 3.33Å; Y86-N250 PolarHBondContact OH-O 3.18Å
87G95.2Very high96.7Very high41 Ų4133.8 Ų33.842%0.42318%0.18SC..THydrogen-bonded Turntrans95.3-13175.400000115.9L83 P84 K89L83-G87 PolarHBondContact O-N 2.89Å; P84-G87 PolarHBondContact O-N 3.02Å; G87-K89 PolarHBondContact O-N 3.48Å; G87-K89 VanDerWaalsContact O-N 3.13Å
88V96.5Very high96.7Very high0 Ų032.8 Ų32.80%017%0.171CC..  trans-86.787.1178.3-172.50000110.1L83 P84 V90 L92 Y240 A243L83-V88 CarbonylContact C-O 3.59Å; L83-V88 HydrophobicContact CB-CB 3.96Å; L83-V88 PolarHBondContact O-N 3.28Å; P84-V88 VanDerWaalsContact CA-O 3.27Å; P84-V88 WeakPolarHBondContact CA-O 3.41Å; P84-V88 WeakPolarHBondContact CG-O 3.46Å; V88-V90 WeakPolarHBondContact CG1-O 3.13Å; V88-L92 HydrophobicContact CG1-CD2 4.47Å; V88-Y240 HydrophobicContact CG1-CE1 3.71Å; V88-Y240 HydrophobicContact CG2-CD1 3.97Å; V88-Y240 HydrophobicContact CG2-CE1 3.94Å; V88-A243 HydrophobicContact CG2-CB 3.48Å; V88-A243 VanDerWaalsContact CG2-CB 3.48Å
89K94.5Very high96.7Very high129 Ų12932.8 Ų32.856%0.56117%0.171SC*.  trans-78.3-25.1-176-63.9-178.4-177.6173.70114.1G87G87-K89 PolarHBondContact O-N 3.48Å; G87-K89 VanDerWaalsContact O-N 3.13Å
90V95.6Very high96.8Very high7 Ų729.8 Ų29.84%0.04216%0.16CC..SBendtrans-129.9165.8-171.8-670000110.9V88 Q225 Y226 N229 V231V88-V90 WeakPolarHBondContact CG1-O 3.13Å; V90-Q225 HydrophobicContact CG1-CB 4.14Å; V90-Y226 HydrophobicContact CB-CD1 4.28Å; V90-Y226 HydrophobicContact CB-CD2 4.21Å; V90-Y226 HydrophobicContact CB-CE1 4.16Å; V90-Y226 HydrophobicContact CB-CE2 4.11Å; V90-Y226 HydrophobicContact CB-CG 4.3Å; V90-Y226 HydrophobicContact CG2-CD1 3.46Å; V90-Y226 VanDerWaalsContact CG2-CD1 3.46Å; V90-Y226 HydrophobicContact CG2-CD2 4.26Å; V90-Y226 HydrophobicContact CG2-CE1 3.38Å; V90-Y226 HydrophobicContact CG2-CE2 4.23Å; V90-Y226 HydrophobicContact CG2-CG 3.91Å; V90-N229 HydrophobicContact CG1-CB 4.04Å; V90-N229 WeakPolarHBondContact CG1-ND2 3.35Å; V90-V231 HydrophobicContact CG2-CB 4.32Å; V90-V231 HydrophobicContact CG2-CG1 4.41Å; V90-V231 HydrophobicContact CG2-CG2 4.02Å
91G95Very high96.8Very high16 Ų1629.8 Ų29.817%0.16516%0.16CC..  trans72.930.8173.900000115.6T93 N94 A97 Y226G91-T93 PolarHBondContact O-N 3.05Å; G91-N94 PolarHBondContact O-N 3.01Å; G91-N94 PolarHBondContact O-ND2 3.49Å; G91-N94 PolarHBondContact O-OD1 2.96Å; G91-A97 WeakPolarHBondContact O-CB 3.38Å; G91-Y226 WeakPolarHBondContact CA-OH 3.42Å
92L97.1Very high96.9Very high34 Ų3425.5 Ų25.518%0.17814%0.14CC..THydrogen-bonded Turntrans-65.85.7-174.9-56.5-175.3000116.1A80 L83 P84 V88A80-L92 HydrophobicContact CB-CB 4.01Å; A80-L92 VanDerWaalsContact CB-O 3.31Å; A80-L92 WeakPolarHBondContact CB-O 3.46Å; A80-L92 WeakPolarHBondContact O-CD2 3.49Å; L83-L92 HydrophobicContact CB-CD2 4.2Å; L83-L92 HydrophobicContact CD1-CD2 4.41Å; P84-L92 HydrophobicContact CG-CD1 4.41Å; P84-L92 HydrophobicContact CG-CD2 4.41Å; V88-L92 HydrophobicContact CG1-CD2 4.47Å
93T96.7Very high97Very high51 Ų5124.8 Ų24.831%0.31314%0.136SC..THydrogen-bonded Turntrans-1274.4-177.360.30000113.2R58 G91 K158R58-T93 VanDerWaalsContact C-CG2 3.49Å; G91-T93 PolarHBondContact O-N 3.05Å; T93-K158 WeakPolarHBondContact O-CD 3.35Å; T93-K158 WeakPolarHBondContact O-CE 3.34Å; T93-K158 PolarHBondContact O-NZ 3.48Å
94N96.9Very high97Very high22 Ų2224.8 Ų24.812%0.11814%0.136CC..SBendtrans-86-179.6178.968.812.1000112G91 A96 A97 A98 V204 Y240G91-N94 PolarHBondContact O-N 3.01Å; G91-N94 PolarHBondContact O-ND2 3.49Å; G91-N94 PolarHBondContact O-OD1 2.96Å; N94-A96 PolarHBondContact OD1-N 2.91Å; N94-A97 WeakPolarHBondContact OD1-CB 3.36Å; N94-A97 PolarHBondContact OD1-N 2.98Å; N94-A98 PolarHBondContact O-N 3.29Å; N94-V204 HydrophobicContact CB-CG2 4.33Å; N94-Y240 PolarHBondContact ND2-OH 3.5Å; N94-Y240 PolarHBondContact OD1-OH 3.2Å
95Y97.8Very high97.1Very high13 Ų1322.2 Ų22.25%0.05112%0.12CC..Hα-helixtrans-67.7-43.6-179.8-169.8-87.2000112A97 A98 Y99 G161 P181 H195 H198 I199Y95-A97 PolarHBondContact O-N 3.37Å; Y95-A98 WeakPolarHBondContact O-CA 3.48Å; Y95-A98 WeakPolarHBondContact O-CB 3.49Å; Y95-A98 PolarHBondContact O-N 3.24Å; Y95-Y99 PolarHBondContact O-N 2.92Å; Y95-G161 WeakPolarHBondContact OH-CA 3.36Å; Y95-G161 PolarHBondContact OH-N 3.43Å; Y95-P181 HydrophobicContact CD2-CG 4.3Å; Y95-P181 HydrophobicContact CE1-CG 4.21Å; Y95-P181 HydrophobicContact CE2-CG 3.7Å; Y95-P181 WeakPolarHBondContact OH-CD 3.44Å; Y95-H195 AromaticContact CE1-NE2 3.92Å; Y95-H195 AromaticContact CZ-NE2 3.76Å; Y95-H195 PolarHBondContact OH-CD2 3.04Å; Y95-H195 PolarHBondContact OH-NE2 3.31Å; Y95-H198 HydrophobicContact CD1-CB 3.73Å; Y95-H198 HydrophobicContact CE1-CB 4.06Å; Y95-H198 HydrophobicContact CG-CB 4.23Å; Y95-I199 HydrophobicContact CE1-CG1 3.99Å
96A97.9Very high97.3Very high1 Ų116 Ų161%0.0089%0.093CC..Hα-helixtrans-58-45.6177.100000112.2N94 A98 Y99 C100 I199 Y240N94-A96 PolarHBondContact OD1-N 2.91Å; A96-A98 VanDerWaalsContact C-N 3.32Å; A96-A98 PolarHBondContact O-N 3.23Å; A96-Y99 WeakPolarHBondContact O-CB 3.47Å; A96-Y99 PolarHBondContact O-N 2.88Å; A96-C100 PolarHBondContact O-N 2.63Å; A96-C100 PolarHBondContact O-SG 2.86Å; A96-I199 WeakPolarHBondContact CB-O 3.45Å; A96-Y240 HydrophobicContact CB-CD1 3.88Å; A96-Y240 HydrophobicContact CB-CD2 3.97Å; A96-Y240 HydrophobicContact CB-CE1 3.5Å; A96-Y240 VanDerWaalsContact CB-CE1 3.5Å; A96-Y240 HydrophobicContact CB-CE2 3.6Å; A96-Y240 HydrophobicContact CB-CG 4.11Å
97A98.2Very high97.3Very high0 Ų015.6 Ų15.60%09%0.091CC..Hα-helixtrans-61.7-38.8173.900000112I60 L83 G91 N94 Y95 C100 T101I60-A97 HydrophobicContact CD1-CB 4.23Å; L83-A97 HydrophobicContact CD1-CB 3.9Å; G91-A97 WeakPolarHBondContact O-CB 3.38Å; N94-A97 WeakPolarHBondContact OD1-CB 3.36Å; N94-A97 PolarHBondContact OD1-N 2.98Å; Y95-A97 PolarHBondContact O-N 3.37Å; A97-C100 PolarHBondContact O-N 2.77Å; A97-T101 WeakPolarHBondContact O-CG2 3.45Å; A97-T101 PolarHBondContact O-N 3.46Å; A97-T101 PolarHBondContact O-OG1 2.7Å
98A98.5Very high97.4Very high0 Ų014.5 Ų14.50%07%0.074CC..Hα-helixtrans-60.4-46.8174.100000111.2I60 N94 Y95 A96 T101 G102 K158 A162I60-A98 HydrophobicContact CD1-CB 3.72Å; I60-A98 HydrophobicContact CG2-CB 4.45Å; N94-A98 PolarHBondContact O-N 3.29Å; Y95-A98 WeakPolarHBondContact O-CA 3.48Å; Y95-A98 WeakPolarHBondContact O-CB 3.49Å; Y95-A98 PolarHBondContact O-N 3.24Å; A96-A98 VanDerWaalsContact C-N 3.32Å; A96-A98 PolarHBondContact O-N 3.23Å; A98-T101 PolarHBondContact O-N 3.42Å; A98-T101 PolarHBondContact O-OG1 2.9Å; A98-G102 PolarHBondContact O-N 3.37Å; A98-K158 HydrophobicContact CB-CB 4.12Å; A98-K158 VanDerWaalsContact CB-O 3.27Å; A98-K158 WeakPolarHBondContact CB-O 3.27Å; A98-A162 HydrophobicContact CB-CB 4.28Å; A98-A162 VanDerWaalsContact O-CA 3.26Å; A98-A162 WeakPolarHBondContact O-CA 3.44Å
99Y98.5Very high97.4Very high0 Ų014.5 Ų14.50%07%0.074CC..Hα-helixtrans-55.9-52.1174.3178.5-85.2000111.9Y95 A96 T101 G102 L103 V125 G161 K164 G165 D168 I199 H244Y95-Y99 PolarHBondContact O-N 2.92Å; A96-Y99 WeakPolarHBondContact O-CB 3.47Å; A96-Y99 PolarHBondContact O-N 2.88Å; Y99-T101 VanDerWaalsContact C-N 3.3Å; Y99-T101 PolarHBondContact O-N 3.49Å; Y99-G102 PolarHBondContact O-N 3.07Å; Y99-G102 VanDerWaalsContact O-N 3.09Å; Y99-L103 HydrophobicContact CE1-CD2 4.44Å; Y99-L103 PolarHBondContact O-N 3.46Å; Y99-V125 HydrophobicContact CE1-CG2 4.47Å; Y99-V125 VanDerWaalsContact OH-CG2 3.28Å; Y99-V125 WeakPolarHBondContact OH-CG2 3.4Å; Y99-G161 VanDerWaalsContact CA-O 3.28Å; Y99-G161 WeakPolarHBondContact CA-O 3.26Å; Y99-K164 HydrophobicContact CD2-CB 4.22Å; Y99-K164 HydrophobicContact CD2-CG 4.11Å; Y99-K164 HydrophobicContact CE2-CB 4.43Å; Y99-K164 HydrophobicContact CE2-CG 3.9Å; Y99-G165 VanDerWaalsContact CD2-N 3.31Å; Y99-D168 HydrophobicContact CE2-CB 4.38Å; Y99-D168 WeakPolarHBondContact CE2-OD2 3.41Å; Y99-D168 WeakPolarHBondContact OH-CB 3.16Å; Y99-D168 PolarHBondContact OH-OD2 3.22Å; Y99-D168 VanDerWaalsContact OH-OD2 3.13Å; Y99-I199 HydrophobicContact CD1-CG2 3.52Å; Y99-I199 HydrophobicContact CD2-CB 4.43Å; Y99-I199 HydrophobicContact CD2-CD1 4.04Å; Y99-I199 HydrophobicContact CD2-CG1 3.87Å; Y99-I199 HydrophobicContact CD2-CG2 3.73Å; Y99-I199 HydrophobicContact CE1-CG2 3.67Å; Y99-I199 HydrophobicContact CE2-CD1 3.93Å; Y99-I199 HydrophobicContact CE2-CG1 4.23Å; Y99-I199 HydrophobicContact CE2-CG2 3.86Å; Y99-I199 HydrophobicContact CG-CB 4.48Å; Y99-I199 HydrophobicContact CG-CG1 4.32Å; Y99-I199 HydrophobicContact CG-CG2 3.56Å; Y99-H244 AromaticContact CD1-CE1 3.82Å; Y99-H244 AromaticContact CD1-NE2 3.39Å; Y99-H244 WeakPolarHBondContact CD1-NE2 3.39Å; Y99-H244 AromaticContact CE1-CD2 3.94Å; Y99-H244 AromaticContact CE1-CE1 3.55Å; Y99-H244 AromaticContact CE1-NE2 3.44Å; Y99-H244 WeakPolarHBondContact CE1-NE2 3.37Å
100C98.3Very high97.5Very high0 Ų08.4 Ų8.40%05%0.047CC..Hα-helixtrans-59-39.6178.1-54.90000112.5L83 A96 A97 G102 L103 L104 H244 I247L83-C100 HydrophobicContact CD1-CB 3.95Å; L83-C100 HydrophobicContact CD2-CB 3.58Å; L83-C100 HydrophobicContact CG-CB 4.43Å; A96-C100 PolarHBondContact O-N 2.63Å; A96-C100 PolarHBondContact O-SG 2.86Å; A97-C100 PolarHBondContact O-N 2.77Å; C100-G102 PolarHBondContact O-N 3.49Å; C100-L103 PolarHBondContact O-N 3.01Å; C100-L104 WeakPolarHBondContact O-CB 3.38Å; C100-L104 PolarHBondContact O-N 3.32Å; C100-H244 PolarHBondContact SG-NE2 3.07Å; C100-H244 VanDerWaalsContact SG-NE2 3.36Å; C100-I247 HydrophobicContact CB-CD1 4Å
101T98.4Very high97.5Very high0 Ų011.1 Ų11.10%06%0.062CC..Hα-helixtrans-66.3-35.4176.458.50000113.4I60 C62 A80 L83 A97 A98 Y99 L105I60-T101 HydrophobicContact CB-CG2 4.38Å; C62-T101 PolarHBondContact SG-OG1 3.21Å; A80-T101 HydrophobicContact CB-CG2 3.66Å; L83-T101 HydrophobicContact CD1-CG2 3.94Å; L83-T101 HydrophobicContact CD2-CG2 4.4Å; L83-T101 HydrophobicContact CG-CG2 4.2Å; A97-T101 WeakPolarHBondContact O-CG2 3.45Å; A97-T101 PolarHBondContact O-N 3.46Å; A97-T101 PolarHBondContact O-OG1 2.7Å; A98-T101 PolarHBondContact O-N 3.42Å; A98-T101 PolarHBondContact O-OG1 2.9Å; Y99-T101 VanDerWaalsContact C-N 3.3Å; Y99-T101 PolarHBondContact O-N 3.49Å; T101-L105 WeakPolarHBondContact O-CB 3.27Å; T101-L105 PolarHBondContact O-N 3.37Å
102G98.4Very high97.5Very high0 Ų018.3 Ų18.30%08%0.084CC..Hα-helixtrans-65.3-45.9173.700000111.6A98 Y99 C100 L104 L105 A106 A162 A166A98-G102 PolarHBondContact O-N 3.37Å; Y99-G102 PolarHBondContact O-N 3.07Å; Y99-G102 VanDerWaalsContact O-N 3.09Å; C100-G102 PolarHBondContact O-N 3.49Å; G102-L104 PolarHBondContact O-N 3.23Å; G102-L105 WeakPolarHBondContact O-CB 3.46Å; G102-L105 PolarHBondContact O-N 2.6Å; G102-A106 WeakPolarHBondContact O-CB 3.43Å; G102-A106 PolarHBondContact O-N 3.12Å; G102-A162 WeakPolarHBondContact CA-O 3.46Å; G102-A166 WeakPolarHBondContact O-CA 3.49Å
103L98.2Very high97.3Very high0 Ų021 Ų210%09%0.094CC..Hα-helixtrans-59.7-46.3176.1176.964.7000111.9Y99 C100 L105 A106 R107 G165 H244 I247Y99-L103 HydrophobicContact CE1-CD2 4.44Å; Y99-L103 PolarHBondContact O-N 3.46Å; C100-L103 PolarHBondContact O-N 3.01Å; L103-L105 PolarHBondContact O-N 3.03Å; L103-A106 PolarHBondContact O-N 2.94Å; L103-R107 HydrophobicContact CD1-CG 4.08Å; L103-R107 WeakPolarHBondContact O-CG 3.17Å; L103-R107 PolarHBondContact O-N 3.35Å; L103-G165 WeakPolarHBondContact CA-O 3.35Å; L103-G165 PolarHBondContact N-O 3.31Å; L103-H244 HydrophobicContact CD2-CB 4.06Å; L103-I247 HydrophobicContact CD2-CB 4.38Å; L103-I247 HydrophobicContact CD2-CD1 4.41Å; L103-I247 HydrophobicContact CD2-CG2 4.14Å; L103-I247 HydrophobicContact CG-CG2 3.89Å
104L98.2Very high97.2Very high0 Ų021 Ų210%011%0.105CC..Hα-helixtrans-61.3-43.6177.1178.760.1000111.9A78 E82 Y86 C100 G102 A106 R108 I247 P251A78-L104 HydrophobicContact CB-CB 4.28Å; A78-L104 HydrophobicContact CB-CD2 4.1Å; A78-L104 HydrophobicContact CB-CG 4.01Å; E82-L104 HydrophobicContact CB-CD2 4.24Å; Y86-L104 HydrophobicContact CD2-CD2 4.47Å; Y86-L104 HydrophobicContact CE2-CD1 3.79Å; Y86-L104 HydrophobicContact CE2-CD2 3.79Å; Y86-L104 HydrophobicContact CE2-CG 4.44Å; Y86-L104 WeakPolarHBondContact OH-CD1 3.36Å; C100-L104 WeakPolarHBondContact O-CB 3.38Å; C100-L104 PolarHBondContact O-N 3.32Å; G102-L104 PolarHBondContact O-N 3.23Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 3.23Å; L104-R108 WeakPolarHBondContact O-CB 3.16Å; L104-R108 PolarHBondContact O-N 2.95Å; L104-I247 HydrophobicContact CB-CD1 4.4Å; L104-I247 HydrophobicContact CB-CG2 3.98Å; L104-I247 HydrophobicContact CD1-CG2 3.99Å; L104-P251 HydrophobicContact CD1-CB 4.49Å
105L98.3Very high97.1Very high0 Ų021 Ų210%010%0.104CC..Hα-helixtrans-59.1-46.2176.6177.967.5000111.5M51 C62 I64 C76 A78 T101 G102 L103 L109M51-L105 HydrophobicContact CE-CD2 3.96Å; M51-L105 HydrophobicContact CG-CD2 4.11Å; C62-L105 HydrophobicContact CB-CB 4.31Å; C62-L105 HydrophobicContact CB-CD2 3.72Å; I64-L105 HydrophobicContact CD1-CD1 4.48Å; I64-L105 HydrophobicContact CD1-CD2 4.25Å; I64-L105 HydrophobicContact CD1-CG 4.13Å; I64-L105 HydrophobicContact CG1-CD1 4.15Å; I64-L105 HydrophobicContact CG1-CD2 3.83Å; I64-L105 HydrophobicContact CG1-CG 4.06Å; C76-L105 HydrophobicContact CB-CD1 3.92Å; A78-L105 HydrophobicContact CB-CB 3.89Å; A78-L105 HydrophobicContact CB-CD1 4.42Å; T101-L105 WeakPolarHBondContact O-CB 3.27Å; T101-L105 PolarHBondContact O-N 3.37Å; G102-L105 WeakPolarHBondContact O-CB 3.46Å; G102-L105 PolarHBondContact O-N 2.6Å; L103-L105 PolarHBondContact O-N 3.03Å; L105-L109 WeakPolarHBondContact O-CB 3.48Å; L105-L109 PolarHBondContact O-N 2.86Å
106A98Very high96.8Very high0 Ų023 Ų230%012%0.116CC..Hα-helixtrans-65.6-51.8-177.800000112.2G102 L103 L104 R108 L109 L110 A166 G169 L171G102-A106 WeakPolarHBondContact O-CB 3.43Å; G102-A106 PolarHBondContact O-N 3.12Å; L103-A106 PolarHBondContact O-N 2.94Å; L104-A106 VanDerWaalsContact C-N 3.33Å; L104-A106 PolarHBondContact O-N 3.23Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 3.05Å; A106-L109 WeakPolarHBondContact O-CB 3.2Å; A106-L109 PolarHBondContact O-N 2.86Å; A106-L109 VanDerWaalsContact O-N 3.12Å; A106-L110 WeakPolarHBondContact O-CG 3.48Å; A106-L110 PolarHBondContact O-N 3.33Å; A106-A166 HydrophobicContact CB-CB 4.37Å; A106-A166 WeakPolarHBondContact CB-O 3.43Å; A106-G169 VanDerWaalsContact CB-O 3.29Å; A106-G169 WeakPolarHBondContact CB-O 3.42Å; A106-L171 HydrophobicContact CB-CD1 3.86Å; A106-L171 HydrophobicContact CB-CD2 4.33Å; A106-L171 HydrophobicContact CB-CG 3.63Å
107R97.7Very high96.6Very high14 Ų1431.1 Ų31.15%0.05315%0.151CC..Hα-helixtrans-60.8-40177.9-67.5-68.9136.8-148.1-4.9112L103 L109 L110 N111 D116 Y119 E120 G169 R248 P251L103-R107 HydrophobicContact CD1-CG 4.08Å; L103-R107 WeakPolarHBondContact O-CG 3.17Å; L103-R107 PolarHBondContact O-N 3.35Å; R107-L109 PolarHBondContact O-N 3.24Å; R107-L110 PolarHBondContact O-N 2.89Å; R107-N111 VanDerWaalsContact O-CB 3.24Å; R107-N111 WeakPolarHBondContact O-CB 3.37Å; R107-N111 PolarHBondContact O-N 2.92Å; R107-D116 PolarHBondContact NH1-O 2.94Å; R107-Y119 VanDerWaalsContact CZ-O 3.26Å; R107-Y119 PolarHBondContact NH1-O 3.1Å; R107-Y119 PolarHBondContact NH2-O 2.78Å; R107-E120 VanDerWaalsContact CZ-O 3.29Å; R107-E120 PolarHBondContact NH2-O 3.36Å; R107-G169 VanDerWaalsContact CZ-C 3.48Å; R107-G169 PolarHBondContact NE-O 2.86Å; R107-G169 PolarHBondContact NH2-O 3.23Å; R107-R248 HydrophobicContact CG-CG 4.39Å; R107-P251 HydrophobicContact CB-CB 3.65Å; R107-P251 HydrophobicContact CB-CG 4.16Å
108R97.1Very high96.4Very high18 Ų1833.1 Ų33.17%0.06816%0.161CC..Hα-helixtrans-65.6-38.2176.5-173.8179.3-74.6171.8-2.9112.3C76 A77 E82 L104 A106 R112 P251C76-R108 WeakPolarHBondContact SG-CD 3.38Å; C76-R108 WeakPolarHBondContact SG-CG 3.43Å; A77-R108 PolarHBondContact O-NH1 3.02Å; E82-R108 IonicContact OE1-NH1 2.85Å; E82-R108 IonicContact OE2-CZ 2.94Å; E82-R108 VanDerWaalsContact OE2-CZ 3.23Å; E82-R108 IonicContact OE2-NH1 3.92Å; E82-R108 PolarHBondContact OE2-NH1 3.32Å; E82-R108 IonicContact OE2-NH2 2.78Å; E82-R108 PolarHBondContact OE2-NH2 3.36Å; L104-R108 WeakPolarHBondContact O-CB 3.16Å; L104-R108 PolarHBondContact O-N 2.95Å; A106-R108 VanDerWaalsContact C-N 3.31Å; A106-R108 PolarHBondContact O-N 3.05Å; R108-R112 WeakPolarHBondContact O-CB 3.29Å; R108-R112 PolarHBondContact O-N 3.09Å; R108-R112 VanDerWaalsContact O-N 3.15Å; R108-P251 HydrophobicContact CB-CB 4.29Å; R108-P251 WeakPolarHBondContact CB-O 3.44Å; R108-P251 WeakPolarHBondContact CG-O 3.36Å; R108-P251 PolarHBondContact NE-O 3.05Å
109L96.9Very high96.3Very high0 Ų033.5 Ų33.50%016%0.163CC..Hα-helixtrans-67.4-48.8176.3-172.681.6000111.4I64 V75 C76 L105 A106 R107 R112 F113 F142 L171I64-L109 HydrophobicContact CB-CD1 4.4Å; I64-L109 HydrophobicContact CD1-CB 4.17Å; I64-L109 HydrophobicContact CD1-CD1 3.87Å; I64-L109 HydrophobicContact CD1-CD2 3.25Å; I64-L109 HydrophobicContact CD1-CG 3.94Å; I64-L109 HydrophobicContact CG2-CD1 4.4Å; V75-L109 HydrophobicContact CB-CD1 4.23Å; V75-L109 HydrophobicContact CG1-CD1 3.58Å; C76-L109 HydrophobicContact CB-CB 4.37Å; C76-L109 HydrophobicContact CB-CD1 3.67Å; L105-L109 WeakPolarHBondContact O-CB 3.48Å; L105-L109 PolarHBondContact O-N 2.86Å; A106-L109 WeakPolarHBondContact O-CB 3.2Å; A106-L109 PolarHBondContact O-N 2.86Å; A106-L109 VanDerWaalsContact O-N 3.12Å; R107-L109 PolarHBondContact O-N 3.24Å; L109-R112 WeakPolarHBondContact O-CB 3.43Å; L109-R112 PolarHBondContact O-N 3.39Å; L109-F113 HydrophobicContact CD1-CD2 4.21Å; L109-F113 HydrophobicContact CD1-CE2 3.69Å; L109-F113 HydrophobicContact CG-CD2 4Å; L109-F113 HydrophobicContact CG-CE2 3.96Å; L109-F113 VanDerWaalsContact O-CD2 3.3Å; L109-F113 WeakPolarHBondContact O-CD2 3.18Å; L109-F113 PolarHBondContact O-N 2.77Å; L109-F113 VanDerWaalsContact O-N 3.17Å; L109-F142 HydrophobicContact CD1-CZ 4.48Å; L109-F142 HydrophobicContact CD2-CB 4.44Å; L109-F142 HydrophobicContact CD2-CD1 3.44Å; L109-F142 VanDerWaalsContact CD2-CD1 3.44Å; L109-F142 HydrophobicContact CD2-CD2 3.95Å; L109-F142 HydrophobicContact CD2-CE1 3.52Å; L109-F142 HydrophobicContact CD2-CE2 4.01Å; L109-F142 HydrophobicContact CD2-CG 3.66Å; L109-F142 HydrophobicContact CD2-CZ 3.8Å; L109-L171 HydrophobicContact CD2-CD1 4.29Å; L109-L171 HydrophobicContact CD2-CD2 3.51Å
110L96.7Very high96.1Very high0 Ų039 Ų390%019%0.189CC..Hα-helixtrans-65-41.3-178.3-67.8177.6000111.5A106 R107 R112 F113 G114 M115 D116 Y119 F142 G169 L171A106-L110 WeakPolarHBondContact O-CG 3.48Å; A106-L110 PolarHBondContact O-N 3.33Å; R107-L110 PolarHBondContact O-N 2.89Å; L110-R112 VanDerWaalsContact C-N 3.32Å; L110-R112 PolarHBondContact O-N 2.76Å; L110-F113 CarbonylContact O-C 3.49Å; L110-F113 PolarHBondContact O-N 2.95Å; L110-F113 VanDerWaalsContact O-N 3.12Å; L110-G114 PolarHBondContact O-N 3.49Å; L110-M115 HydrophobicContact CD2-CB 3.92Å; L110-M115 HydrophobicContact CD2-CE 4.04Å; L110-M115 PolarHBondContact O-N 3.06Å; L110-D116 HydrophobicContact CB-CB 4.24Å; L110-Y119 WeakPolarHBondContact CD1-O 3.42Å; L110-F142 HydrophobicContact CD2-CB 4.32Å; L110-G169 VanDerWaalsContact CD1-O 3.25Å; L110-G169 WeakPolarHBondContact CD1-O 3.42Å; L110-L171 HydrophobicContact CD2-CD2 4.15Å; L110-L171 HydrophobicContact CG-CD2 4.18Å
111N95.3Very high95.8Very high64 Ų6439.6 Ų39.634%0.34220%0.195SC..Hα-helixtrans-58.4-44.4172.6-178.2-30.2000110.8R107 F113 G114 P251R107-N111 VanDerWaalsContact O-CB 3.24Å; R107-N111 WeakPolarHBondContact O-CB 3.37Å; R107-N111 PolarHBondContact O-N 2.92Å; N111-F113 PolarHBondContact O-N 2.82Å; N111-G114 PolarHBondContact O-N 3.14Å; N111-G114 VanDerWaalsContact O-N 3.11Å; N111-P251 HydrophobicContact CB-CG 4.09Å
112R94.1Very high95.6Very high168 Ų16842.2 Ų42.263%0.63421%0.207SC*.Hα-helixtrans-59.5-30.7176.8-178.7176-179.71733.4113.6V75 R108 L109 L110V75-R112 PolarHBondContact O-NH1 3.3Å; R108-R112 WeakPolarHBondContact O-CB 3.29Å; R108-R112 PolarHBondContact O-N 3.09Å; R108-R112 VanDerWaalsContact O-N 3.15Å; L109-R112 WeakPolarHBondContact O-CB 3.43Å; L109-R112 PolarHBondContact O-N 3.39Å; L110-R112 VanDerWaalsContact C-N 3.32Å; L110-R112 PolarHBondContact O-N 2.76Å
113F94.3Very high95.2Very high89 Ų8946.4 Ų46.439%0.3923%0.232SC..Hα-helixtrans-100.93.3178.7-70-66.2000113.9V75 L109 L110 N111 M115 F142V75-F113 HydrophobicContact CG1-CE2 3.9Å; V75-F113 HydrophobicContact CG1-CZ 3.87Å; L109-F113 HydrophobicContact CD1-CD2 4.21Å; L109-F113 HydrophobicContact CD1-CE2 3.69Å; L109-F113 HydrophobicContact CG-CD2 4Å; L109-F113 HydrophobicContact CG-CE2 3.96Å; L109-F113 VanDerWaalsContact O-CD2 3.3Å; L109-F113 WeakPolarHBondContact O-CD2 3.18Å; L109-F113 PolarHBondContact O-N 2.77Å; L109-F113 VanDerWaalsContact O-N 3.17Å; L110-F113 CarbonylContact O-C 3.49Å; L110-F113 PolarHBondContact O-N 2.95Å; L110-F113 VanDerWaalsContact O-N 3.12Å; N111-F113 PolarHBondContact O-N 2.82Å; F113-M115 VanDerWaalsContact C-N 3.3Å; F113-M115 HydrophobicContact CB-CE 3.86Å; F113-M115 HydrophobicContact CB-CG 4.41Å; F113-M115 HydrophobicContact CG-CE 4.45Å; F113-M115 PolarHBondContact O-N 3.42Å; F113-F142 HydrophobicContact CD2-CD2 4.18Å; F113-F142 HydrophobicContact CD2-CE2 4.04Å; F113-F142 HydrophobicContact CE2-CD2 4.15Å; F113-F142 AromaticContact CE2-CE2 3.54Å; F113-F142 HydrophobicContact CE2-CE2 3.54Å; F113-F142 HydrophobicContact CE2-CZ 4.31Å; F113-F142 HydrophobicContact CZ-CE2 4.14Å
114G93.9Very high95Very high52 Ų5253.5 Ų53.554%0.53627%0.265SS..THydrogen-bonded Turntrans64.928.5-177.900000114.5L110 N111L110-G114 PolarHBondContact O-N 3.49Å; N111-G114 PolarHBondContact O-N 3.14Å; N111-G114 VanDerWaalsContact O-N 3.11Å
115M94.2Very high94.7Very high21 Ų2154.2 Ų54.210%0.10327%0.27CS..  trans-1118.3-179.4-65.6-168.9-6400113L110 F113 K117 I118 Y119 P139 F142L110-M115 HydrophobicContact CD2-CB 3.92Å; L110-M115 HydrophobicContact CD2-CE 4.04Å; L110-M115 PolarHBondContact O-N 3.06Å; F113-M115 VanDerWaalsContact C-N 3.3Å; F113-M115 HydrophobicContact CB-CE 3.86Å; F113-M115 HydrophobicContact CB-CG 4.41Å; F113-M115 HydrophobicContact CG-CE 4.45Å; F113-M115 PolarHBondContact O-N 3.42Å; M115-K117 PolarHBondContact O-N 3.4Å; M115-I118 PolarHBondContact O-N 2.93Å; M115-Y119 HydrophobicContact CB-CD2 4.31Å; M115-Y119 PolarHBondContact O-N 3.29Å; M115-P139 HydrophobicContact SD-CB 4.39Å; M115-F142 HydrophobicContact CE-CB 3.93Å; M115-F142 HydrophobicContact CE-CD2 4.01Å; M115-F142 HydrophobicContact CE-CG 4.47Å
116D92Very high94.5Very high57 Ų5757.1 Ų57.131%0.30529%0.288SS..THydrogen-bonded Turntrans-62.6-38.4-177.956.6-42.6000113.1R107 L110R107-D116 PolarHBondContact NH1-O 2.94Å; L110-D116 HydrophobicContact CB-CB 4.24Å
117K93.6Very high94.2Very high170 Ų17057.1 Ų57.174%0.73929%0.288SS*.THydrogen-bonded Turntrans-77.4-26.7176.2-61.8-175.7-179.9-177.80113.9M115M115-K117 PolarHBondContact O-N 3.4Å
118I94.7Very high94Very high43 Ų4360.6 Ų60.622%0.22131%0.307CS..THydrogen-bonded Turntrans-77.9-44.2-179.7-58.7174.3000109.3M115 I135 Q138M115-I118 PolarHBondContact O-N 2.93Å; I118-I135 HydrophobicContact CG2-CD1 4.14Å; I118-I135 WeakPolarHBondContact O-CD1 3.17Å; I118-Q138 HydrophobicContact CG2-CB 3.85Å; I118-Q138 HydrophobicContact CG2-CG 4.02Å
119Y95.4Very high93.8Very high7 Ų764.3 Ų64.33%0.02733%0.325CS..  trans-114.971.6-176.8-64.1-66.6000110.7R107 L110 M115 G121 V132 E133 I135 P139 A141R107-Y119 VanDerWaalsContact CZ-O 3.26Å; R107-Y119 PolarHBondContact NH1-O 3.1Å; R107-Y119 PolarHBondContact NH2-O 2.78Å; L110-Y119 WeakPolarHBondContact CD1-O 3.42Å; M115-Y119 HydrophobicContact CB-CD2 4.31Å; M115-Y119 PolarHBondContact O-N 3.29Å; Y119-G121 PolarHBondContact O-N 3.39Å; Y119-V132 HydrophobicContact CD1-CG1 3.64Å; Y119-V132 HydrophobicContact CE1-CG1 4.12Å; Y119-V132 HydrophobicContact CG-CG1 4.38Å; Y119-E133 WeakPolarHBondContact CE1-O 3.48Å; Y119-I135 HydrophobicContact CD1-CD1 4.47Å; Y119-I135 HydrophobicContact CE1-CD1 4.1Å; Y119-I135 HydrophobicContact CE1-CG1 4.13Å; Y119-I135 PolarHBondContact OH-N 2.81Å; Y119-P139 WeakPolarHBondContact CE2-O 3.04Å; Y119-P139 PolarHBondContact OH-O 3.46Å; Y119-A141 HydrophobicContact CD1-CB 4.27Å; Y119-A141 HydrophobicContact CE1-CB 3.76Å; Y119-A141 HydrophobicContact CE2-CB 4.13Å; Y119-A141 VanDerWaalsContact CZ-CA 3.49Å; Y119-A141 PolarHBondContact OH-N 2.75Å
120E93.6Very high93.6Very high116 Ų11667.2 Ų67.254%0.54234%0.337SS..  trans-65-16.2176.7-62.3-169.7166.200113.5R107R107-E120 VanDerWaalsContact CZ-O 3.29Å; R107-E120 PolarHBondContact NH2-O 3.36Å
121G93.4Very high93.4Very high13 Ų1370.5 Ų70.513%0.13435%0.354CS..  trans65.6-160.618000000111.4Y119 V123 Y130 D168Y119-G121 PolarHBondContact O-N 3.39Å; G121-V123 PolarHBondContact O-N 3.29Å; G121-Y130 WeakPolarHBondContact CA-OH 3.44Å; G121-D168 CarbonylContact C-O 3.46Å; G121-D168 WeakPolarHBondContact CA-O 3.25Å
122Q93.1Very high93.3Very high55 Ų5567.7 Ų67.726%0.25734%0.34SS..  trans-82.4104.8177.9-172.770.2-16.100109.8E124 Y130 D168 R248Q122-E124 WeakPolarHBondContact CG-O 3.25Å; Q122-E124 PolarHBondContact NE2-O 2.83Å; Q122-Y130 HydrophobicContact CB-CD1 3.84Å; Q122-Y130 HydrophobicContact CB-CD2 4.41Å; Q122-Y130 HydrophobicContact CB-CE1 4.04Å; Q122-Y130 HydrophobicContact CB-CG 4.05Å; Q122-D168 HydrophobicContact CB-CB 4.16Å; Q122-D168 PolarHBondContact N-O 3.36Å; Q122-D168 VanDerWaalsContact N-O 3.08Å; Q122-R248 PolarHBondContact O-NH2 3.15Å
123V91.6Very high93.3Very high87 Ų8767.3 Ų67.353%0.52735%0.345SS..SBendtrans-69.4-46.1179.7-178.80000110.6G121G121-V123 PolarHBondContact O-N 3.29Å
124E92.3Very high93.3Very high149 Ų14966.6 Ų66.670%0.69635%0.351SS*.SBendtrans-89.5112.9177.2-64.7-163.9161.100111.6Q122 T126Q122-E124 WeakPolarHBondContact CG-O 3.25Å; Q122-E124 PolarHBondContact NE2-O 2.83Å; E124-T126 PolarHBondContact O-N 3.1Å
125V92.9Very high93.3Very high16 Ų1668.2 Ų68.210%0.09735%0.347CS..  trans-76.890.9-177.3-174.80000110.3Y99 R196 I199 M200Y99-V125 HydrophobicContact CE1-CG2 4.47Å; Y99-V125 VanDerWaalsContact OH-CG2 3.28Å; Y99-V125 WeakPolarHBondContact OH-CG2 3.4Å; V125-R196 PolarHBondContact O-NE 3.22Å; V125-I199 HydrophobicContact CG1-CB 4.32Å; V125-I199 HydrophobicContact CG1-CD1 3.96Å; V125-I199 HydrophobicContact CG1-CG2 3.67Å; V125-M200 HydrophobicContact CB-CE 3.69Å; V125-M200 HydrophobicContact CG1-CE 3.97Å; V125-M200 HydrophobicContact CG2-CE 4.38Å
126T92.8Very high93.2Very high61 Ų6175 Ų7537%0.37438%0.383SS..  trans-85.4-21177.156.50000113.2E124 D128E124-T126 PolarHBondContact O-N 3.1Å; T126-D128 PolarHBondContact O-N 3.07Å; T126-D128 PolarHBondContact OG1-N 3.5Å
127G91.9Very high93.2Very high0 Ų076.4 Ų76.40%041%0.411CS..  trans82.3-4.4-172.400000114F190 H195G127-F190 WeakPolarHBondContact O-CZ 3.34Å; G127-H195 PolarHBondContact O-ND1 3.5Å
128D93.7Very high93.2Very high86 Ų8673 Ų7346%0.4640%0.398SS..SBendtrans-74.2169.3-176.7-152.3-6.7000112.9T126 Y130 K164 A192T126-D128 PolarHBondContact O-N 3.07Å; T126-D128 PolarHBondContact OG1-N 3.5Å; D128-Y130 PolarHBondContact O-N 2.94Å; D128-K164 VanDerWaalsContact O-CE 3.3Å; D128-K164 WeakPolarHBondContact O-CE 3.42Å; D128-K164 PolarHBondContact O-NZ 3.04Å; D128-A192 HydrophobicContact CB-CB 4.09Å
129E92.9Very high93.1Very high96 Ų9674.5 Ų74.545%0.44941%0.411SS..  trans-60.6127.1169.9-172.6163.3-166.900110.2N131 T177E129-N131 PolarHBondContact OE1-ND2 3.12Å; E129-T177 HydrophobicContact CB-CG2 3.73Å; E129-T177 HydrophobicContact CG-CG2 3.93Å; E129-T177 WeakPolarHBondContact OE2-CG2 3.33Å
130Y93.2Very high93.1Very high61 Ų6176.4 Ų76.424%0.23943%0.432CS..  trans-144.4126.3176.1175.4-108.1000107.4G121 Q122 D128 V132 V167G121-Y130 WeakPolarHBondContact CA-OH 3.44Å; Q122-Y130 HydrophobicContact CB-CD1 3.84Å; Q122-Y130 HydrophobicContact CB-CD2 4.41Å; Q122-Y130 HydrophobicContact CB-CE1 4.04Å; Q122-Y130 HydrophobicContact CB-CG 4.05Å; D128-Y130 PolarHBondContact O-N 2.94Å; Y130-V132 HydrophobicContact CD1-CG2 4.4Å; Y130-V132 HydrophobicContact CE1-CG2 3.58Å; Y130-V167 HydrophobicContact CD1-CG1 4.05Å; Y130-V167 WeakPolarHBondContact O-CG1 3.5Å
131N93.6Very high93.2Very high69 Ų6971.1 Ų71.137%0.36941%0.408SS..  trans-123131.3176.3-69.5-56.1000108.1E129 E133 H175E129-N131 PolarHBondContact OE1-ND2 3.12Å; N131-E133 PolarHBondContact O-N 2.93Å; N131-H175 PolarHBondContact OD1-CE1 2.85Å; N131-H175 PolarHBondContact OD1-ND1 3.11Å
132V93.2Very high93.4Very high6 Ų671.4 Ų71.44%0.03641%0.406CS..  trans-79.9111.2179.5-177.20000108.8Y119 Y130 A141 V167 S172Y119-V132 HydrophobicContact CD1-CG1 3.64Å; Y119-V132 HydrophobicContact CE1-CG1 4.12Å; Y119-V132 HydrophobicContact CG-CG1 4.38Å; Y130-V132 HydrophobicContact CD1-CG2 4.4Å; Y130-V132 HydrophobicContact CE1-CG2 3.58Å; V132-A141 HydrophobicContact CG1-CB 3.84Å; V132-V167 HydrophobicContact CG2-CG1 4.17Å; V132-V167 WeakPolarHBondContact CG2-O 3.45Å; V132-S172 PolarHBondContact O-OG 3.17Å
133E93.5Very high93.6Very high160 Ų16071.6 Ų71.675%0.74841%0.411SS*.PPolyproline II helixtrans-87.8155.3174.2-62.3-174.316800110.9Y119 N131Y119-E133 WeakPolarHBondContact CE1-O 3.48Å; N131-E133 PolarHBondContact O-N 2.93Å
134S93.9Very high93.9Very high74 Ų7467.5 Ų67.552%0.51739%0.386SS..PPolyproline II helixtrans-78.1143.2173.2-63.30000109.6A141S134-A141 PolarHBondContact OG-N 3.49Å; S134-A141 VanDerWaalsContact OG-N 3.13Å
135I93.4Very high94.1Very high86 Ų8664.2 Ų64.244%0.44137%0.368SS..PPolyproline II helixtrans-98.4130.8-178.5-61167.7000107.4I118 Y119 G137 Q138I118-I135 HydrophobicContact CG2-CD1 4.14Å; I118-I135 WeakPolarHBondContact O-CD1 3.17Å; Y119-I135 HydrophobicContact CD1-CD1 4.47Å; Y119-I135 HydrophobicContact CE1-CD1 4.1Å; Y119-I135 HydrophobicContact CE1-CG1 4.13Å; Y119-I135 PolarHBondContact OH-N 2.81Å; I135-G137 PolarHBondContact O-N 3.39Å; I135-Q138 HydrophobicContact CB-CB 4.22Å; I135-Q138 HydrophobicContact CB-CG 4.25Å; I135-Q138 HydrophobicContact CG2-CG 4.05Å; I135-Q138 PolarHBondContact O-N 3.37Å; I135-Q138 VanDerWaalsContact O-N 3.12Å
136D92.1Very high94.4Very high163 Ų16365.2 Ų65.287%0.87237%0.373SS*.THydrogen-bonded Turntrans-59.2133.9179-69.6-30.9000111.3Q138D136-Q138 VanDerWaalsContact C-N 3.26Å; D136-Q138 PolarHBondContact O-N 2.74Å
137G92.6Very high94.6Very high86 Ų8662.7 Ų62.789%0.88736%0.357SS*.THydrogen-bonded Turntrans80.1-5.8-177.500000115.5I135I135-G137 PolarHBondContact O-N 3.39Å
138Q93.6Very high94.8Very high99 Ų9963.6 Ų63.646%0.46336%0.364SS..SBendtrans-105.8159.2174-62.1-64.1-21.200111.4I118 I135 D136 G140I118-Q138 HydrophobicContact CG2-CB 3.85Å; I118-Q138 HydrophobicContact CG2-CG 4.02Å; I135-Q138 HydrophobicContact CB-CB 4.22Å; I135-Q138 HydrophobicContact CB-CG 4.25Å; I135-Q138 HydrophobicContact CG2-CG 4.05Å; I135-Q138 PolarHBondContact O-N 3.37Å; I135-Q138 VanDerWaalsContact O-N 3.12Å; D136-Q138 VanDerWaalsContact C-N 3.26Å; D136-Q138 PolarHBondContact O-N 2.74Å; Q138-G140 PolarHBondContact O-N 2.77Å
139P93.2Very high94.8Very high75 Ų7560.5 Ų60.549%0.48735%0.353SS..PPolyproline II helixtrans-55.4132.3169-23.633.8000110.8M115 Y119M115-P139 HydrophobicContact SD-CB 4.39Å; Y119-P139 WeakPolarHBondContact CE2-O 3.04Å; Y119-P139 PolarHBondContact OH-O 3.46Å
140G94.4Very high94.9Very high46 Ų4659.9 Ų59.947%0.47435%0.352SS..PPolyproline II helixtrans-58151-176.900000113.9Q138Q138-G140 PolarHBondContact O-N 2.77Å
141A96.3Very high95Very high6 Ų658.9 Ų58.95%0.0536%0.357CS..PPolyproline II helixtrans-59140.7-174.400000111.9Y119 V132 S134 T143Y119-A141 HydrophobicContact CD1-CB 4.27Å; Y119-A141 HydrophobicContact CE1-CB 3.76Å; Y119-A141 HydrophobicContact CE2-CB 4.13Å; Y119-A141 VanDerWaalsContact CZ-CA 3.49Å; Y119-A141 PolarHBondContact OH-N 2.75Å; V132-A141 HydrophobicContact CG1-CB 3.84Å; S134-A141 PolarHBondContact OG-N 3.49Å; S134-A141 VanDerWaalsContact OG-N 3.13Å; A141-T143 PolarHBondContact O-N 2.94Å; A141-T143 PolarHBondContact O-OG1 3.39Å
142F97.2Very high95.1Very high18 Ų1865.3 Ų65.38%0.07938%0.376CS..  trans-64.5104.8-178.4-167-78000110.4Y49 I64 L109 L110 F113 M115 C144 L171 S172Y49-F142 HydrophobicContact CD1-CE1 4.28Å; Y49-F142 AromaticContact CD1-CZ 3.68Å; Y49-F142 HydrophobicContact CD1-CZ 3.68Å; Y49-F142 AromaticContact CD2-CE1 3.78Å; Y49-F142 HydrophobicContact CD2-CE1 3.78Å; Y49-F142 HydrophobicContact CD2-CE2 4.07Å; Y49-F142 AromaticContact CD2-CZ 3.38Å; Y49-F142 HydrophobicContact CD2-CZ 3.38Å; Y49-F142 HydrophobicContact CE1-CE2 4.47Å; Y49-F142 AromaticContact CE1-CZ 3.83Å; Y49-F142 HydrophobicContact CE1-CZ 3.83Å; Y49-F142 HydrophobicContact CE2-CE1 4.36Å; Y49-F142 AromaticContact CE2-CE2 3.82Å; Y49-F142 HydrophobicContact CE2-CE2 3.82Å; Y49-F142 AromaticContact CE2-CZ 3.54Å; Y49-F142 HydrophobicContact CE2-CZ 3.54Å; Y49-F142 AromaticContact CG-CE1 3.72Å; Y49-F142 HydrophobicContact CG-CE1 3.72Å; Y49-F142 HydrophobicContact CG-CE2 4.49Å; Y49-F142 AromaticContact CG-CZ 3.44Å; Y49-F142 HydrophobicContact CG-CZ 3.44Å; Y49-F142 VanDerWaalsContact CG-CZ 3.44Å; Y49-F142 AromaticContact CZ-CZ 3.75Å; I64-F142 HydrophobicContact CG2-CE1 4.08Å; I64-F142 HydrophobicContact CG2-CZ 4.26Å; L109-F142 HydrophobicContact CD1-CZ 4.48Å; L109-F142 HydrophobicContact CD2-CB 4.44Å; L109-F142 HydrophobicContact CD2-CD1 3.44Å; L109-F142 VanDerWaalsContact CD2-CD1 3.44Å; L109-F142 HydrophobicContact CD2-CD2 3.95Å; L109-F142 HydrophobicContact CD2-CE1 3.52Å; L109-F142 HydrophobicContact CD2-CE2 4.01Å; L109-F142 HydrophobicContact CD2-CG 3.66Å; L109-F142 HydrophobicContact CD2-CZ 3.8Å; L110-F142 HydrophobicContact CD2-CB 4.32Å; F113-F142 HydrophobicContact CD2-CD2 4.18Å; F113-F142 HydrophobicContact CD2-CE2 4.04Å; F113-F142 HydrophobicContact CE2-CD2 4.15Å; F113-F142 AromaticContact CE2-CE2 3.54Å; F113-F142 HydrophobicContact CE2-CE2 3.54Å; F113-F142 HydrophobicContact CE2-CZ 4.31Å; F113-F142 HydrophobicContact CZ-CE2 4.14Å; M115-F142 HydrophobicContact CE-CB 3.93Å; M115-F142 HydrophobicContact CE-CD2 4.01Å; M115-F142 HydrophobicContact CE-CG 4.47Å; F142-C144 HydrophobicContact CD1-CB 4.46Å; F142-C144 HydrophobicContact CE1-CB 4.19Å; F142-L171 HydrophobicContact CB-CD2 4.1Å; F142-L171 HydrophobicContact CD1-CD2 4.23Å; F142-L171 HydrophobicContact CG-CD2 4.42Å; F142-S172 PolarHBondContact O-N 3.43Å
143T97.1Very high95.2Very high60 Ų6068.4 Ų68.437%0.36840%0.395SS..BIsolated β-bridgetrans-89.5126.3-176.2-56.50000111.1A141 S172A141-T143 PolarHBondContact O-N 2.94Å; A141-T143 PolarHBondContact O-OG1 3.39Å; T143-S172 VanDerWaalsContact CA-O 3.3Å; T143-S172 WeakPolarHBondContact CA-O 3.46Å
144C97.3Very high95.3Very high0 Ų064.1 Ų64.10%038%0.379CS..  trans-143.1160171.162.80000112.9Y49 F142 S172 I173Y49-C144 WeakPolarHBondContact O-CA 3.4Å; F142-C144 HydrophobicContact CD1-CB 4.46Å; F142-C144 HydrophobicContact CE1-CB 4.19Å; C144-S172 PolarHBondContact N-O 3.45Å; C144-I173 WeakPolarHBondContact O-CA 3.33Å
145Y97.8Very high95.3Very high80 Ų8063.5 Ų63.531%0.31437%0.373SS..EExtended strand (participates in β ladder)trans-112.3135.2-174.3-55.7-82000111.6K48 Y49 R50 M51 D147 P174K48-Y145 HydrophobicContact CD-CE2 4.32Å; K48-Y145 HydrophobicContact CG-CD2 4Å; K48-Y145 HydrophobicContact CG-CE2 3.85Å; Y49-Y145 WeakPolarHBondContact O-CD2 3.49Å; Y49-Y145 PolarHBondContact O-N 3.15Å; R50-Y145 CarbonylContact C-O 3.35Å; R50-Y145 VanDerWaalsContact CA-O 3.22Å; R50-Y145 WeakPolarHBondContact CA-O 3.42Å; M51-Y145 PolarHBondContact N-O 3.09Å; Y145-D147 PolarHBondContact O-N 3Å; Y145-P174 HydrophobicContact CD1-CG 4.48Å; Y145-P174 HydrophobicContact CE1-CG 4.24Å
146L97.9Very high95.3Very high38 Ų3860.9 Ų60.920%0.19937%0.366CS..EExtended strand (participates in β ladder)trans-64.7122.8178.3-177.269.4000111.8M51 V53 V159 F160 L163 I173M51-L146 HydrophobicContact SD-CD1 4.46Å; V53-L146 HydrophobicContact CG2-CD1 3.87Å; L146-V159 HydrophobicContact CD1-CG1 4.03Å; L146-V159 HydrophobicContact CD2-CG1 4Å; L146-V159 HydrophobicContact CG-CG1 4.42Å; L146-F160 HydrophobicContact CD2-CD1 4.23Å; L146-F160 HydrophobicContact CD2-CE1 3.93Å; L146-L163 HydrophobicContact CB-CD1 3.99Å; L146-L163 HydrophobicContact CD1-CB 4.43Å; L146-L163 HydrophobicContact CD1-CD1 4.28Å; L146-L163 HydrophobicContact CD2-CD1 3.68Å; L146-L163 HydrophobicContact CG-CD1 4.17Å; L146-I173 HydrophobicContact CB-CG2 4.43Å
147D97.4Very high95.6Very high8 Ų854.8 Ų54.84%0.04333%0.334CS..EExtended strand (participates in β ladder)trans-105.591.8168.4-178.3-26.3000108.7L36 R50 M51 I52 V53 R54 Y145 G149L36-D147 HydrophobicContact CD1-CB 3.84Å; R50-D147 HydrophobicContact CB-CB 4.43Å; R50-D147 IonicContact NH1-OD2 2.78Å; R50-D147 PolarHBondContact NH1-OD2 3.18Å; M51-D147 PolarHBondContact O-N 3.5Å; I52-D147 HydrophobicContact CG1-CB 4.04Å; V53-D147 PolarHBondContact N-O 3.29Å; R54-D147 IonicContact CZ-OD1 3.23Å; R54-D147 PolarHBondContact NH1-O 2.71Å; R54-D147 IonicContact NH1-OD1 2.82Å; R54-D147 IonicContact NH2-OD1 2.71Å; R54-D147 PolarHBondContact NH2-OD1 3.36Å; R54-D147 IonicContact NH2-OD2 3.84Å; Y145-D147 PolarHBondContact O-N 3Å; D147-G149 PolarHBondContact O-N 3.25Å; D147-G149 WeakPolarHBondContact OD1-CA 3.45Å; D147-G149 PolarHBondContact OD1-N 3.22Å
148A95.9Very high95.8Very high18 Ų1853.8 Ų53.815%0.14931%0.305CS..  trans-72.1-11.3173.600000113.2L150 A151 T153 V159A148-L150 PolarHBondContact O-N 3.37Å; A148-L150 VanDerWaalsContact O-N 3.17Å; A148-A151 VanDerWaalsContact O-CB 3.24Å; A148-A151 WeakPolarHBondContact O-CB 3.45Å; A148-A151 PolarHBondContact O-N 2.91Å; A148-T153 HydrophobicContact CB-CG2 4.36Å; A148-V159 HydrophobicContact CB-CG1 4.15Å
149G94.3Very high96Very high22 Ų2249.2 Ų49.223%0.22728%0.284CS..THydrogen-bonded Turntrans63.5-112.4-177.800000112.8R54 D147R54-G149 VanDerWaalsContact NH2-CA 3.29Å; D147-G149 PolarHBondContact O-N 3.25Å; D147-G149 WeakPolarHBondContact OD1-CA 3.45Å; D147-G149 PolarHBondContact OD1-N 3.22Å
150L95.7Very high96.2Very high82 Ų8246.6 Ų46.643%0.42927%0.265SS..THydrogen-bonded Turntrans-108.64.4175.9-68.6174000112.3G26 D29 A148 R152G26-L150 WeakPolarHBondContact O-CD1 3.28Å; D29-L150 HydrophobicContact CB-CD2 3.63Å; A148-L150 PolarHBondContact O-N 3.37Å; A148-L150 VanDerWaalsContact O-N 3.17Å; L150-R152 PolarHBondContact O-N 3.4Å
151A95Very high96.4Very high41 Ų4144.4 Ų44.434%0.33924%0.242SC..SBendtrans-63.7134.7175.700000109.5A148 T153 V159A148-A151 VanDerWaalsContact O-CB 3.24Å; A148-A151 WeakPolarHBondContact O-CB 3.45Å; A148-A151 PolarHBondContact O-N 2.91Å; A151-T153 PolarHBondContact O-N 3.48Å; A151-V159 HydrophobicContact CB-CG2 3.92Å
152R95.5Very high96.5Very high204 Ų20444.1 Ų44.177%0.7724%0.24SC*.  trans-67.6125.7174.8-64.6-152.1-73.7-148.70.2109.2L150 T154 N157L150-R152 PolarHBondContact O-N 3.4Å; R152-T154 HydrophobicContact CB-CG2 4.1Å; R152-T154 PolarHBondContact O-N 3.23Å; R152-N157 PolarHBondContact O-ND2 3.28Å
153T95Very high96.5Very high71 Ų7143.4 Ų43.444%0.43624%0.237SC..  trans-77.766.3176.4540000109.9A148 A151 F160 R179A148-T153 HydrophobicContact CB-CG2 4.36Å; A151-T153 PolarHBondContact O-N 3.48Å; T153-F160 HydrophobicContact CG2-CZ 3.96Å; T153-R179 PolarHBondContact O-NE 3.44Å; T153-R179 PolarHBondContact O-NH1 3.39Å; T153-R179 PolarHBondContact O-NH2 3.37Å
154T95.6Very high96.5Very high69 Ų6940.6 Ų40.642%0.42322%0.22SC..  trans-90152.117453.40000110.2R152 G156 N157 F160R152-T154 HydrophobicContact CB-CG2 4.1Å; R152-T154 PolarHBondContact O-N 3.23Å; T154-G156 PolarHBondContact O-N 3.36Å; T154-N157 WeakPolarHBondContact O-CB 3.39Å; T154-N157 PolarHBondContact O-N 3.2Å; T154-F160 WeakPolarHBondContact O-CE2 3.38Å
155T95Very high96.6Very high62 Ų6240.6 Ų40.638%0.3822%0.22SC..THydrogen-bonded Turntrans-60.2135.4173.8-51.90000109.7N157 K178 F180T155-N157 VanDerWaalsContact C-N 3.3Å; T155-N157 PolarHBondContact O-N 2.91Å; T155-K178 PolarHBondContact OG1-O 3.13Å; T155-F180 WeakPolarHBondContact CG2-O 3.17Å
156G93.5Very high96.6Very high30 Ų3036.8 Ų36.831%0.30921%0.205SC..THydrogen-bonded Turntrans784.8-177.400000115.6T154 K158 R179T154-G156 PolarHBondContact O-N 3.36Å; G156-K158 PolarHBondContact O-N 2.92Å; G156-R179 PolarHBondContact N-O 3.07Å
157N96.7Very high96.6Very high35 Ų3535 Ų3519%0.18720%0.196CC..  trans-64.3136.9175.2-168.6-32.2000110.8R152 T154 T155 V159 F160R152-N157 PolarHBondContact O-ND2 3.28Å; T154-N157 WeakPolarHBondContact O-CB 3.39Å; T154-N157 PolarHBondContact O-N 3.2Å; T155-N157 VanDerWaalsContact C-N 3.3Å; T155-N157 PolarHBondContact O-N 2.91Å; N157-V159 PolarHBondContact O-N 2.91Å; N157-V159 PolarHBondContact OD1-N 3.47Å; N157-V159 VanDerWaalsContact OD1-N 3.13Å; N157-F160 HydrophobicContact CB-CD2 3.9Å; N157-F160 HydrophobicContact CB-CE2 4.15Å; N157-F160 WeakPolarHBondContact O-CB 3.44Å; N157-F160 PolarHBondContact O-N 2.62Å
158K97.2Very high96.6Very high65 Ų6534.7 Ų34.728%0.28319%0.194SC..Hα-helixtrans-50.7-28.4175.6-65.4-178.8-87.5-1780114.6V55 T93 A98 G156 F160 G161 A162V55-K158 HydrophobicContact CG2-CB 4.16Å; T93-K158 WeakPolarHBondContact O-CD 3.35Å; T93-K158 WeakPolarHBondContact O-CE 3.34Å; T93-K158 PolarHBondContact O-NZ 3.48Å; A98-K158 HydrophobicContact CB-CB 4.12Å; A98-K158 VanDerWaalsContact CB-O 3.27Å; A98-K158 WeakPolarHBondContact CB-O 3.27Å; G156-K158 PolarHBondContact O-N 2.92Å; K158-F160 PolarHBondContact O-N 2.78Å; K158-G161 PolarHBondContact O-N 2.71Å; K158-G161 VanDerWaalsContact O-N 3.12Å; K158-A162 PolarHBondContact O-N 2.97Å; K158-A162 VanDerWaalsContact O-N 3.07Å
159V97.8Very high96.7Very high4 Ų433.9 Ų33.92%0.02419%0.187CC..Hα-helixtrans-55.7-38.6173172.20000111.6V53 V55 L146 A148 A151 N157 L163V53-V159 HydrophobicContact CB-CG1 4.15Å; V53-V159 HydrophobicContact CG1-CB 4.4Å; V53-V159 HydrophobicContact CG1-CG1 4.37Å; V53-V159 HydrophobicContact CG1-CG2 4.17Å; V55-V159 HydrophobicContact CG2-CG2 4.48Å; L146-V159 HydrophobicContact CD1-CG1 4.03Å; L146-V159 HydrophobicContact CD2-CG1 4Å; L146-V159 HydrophobicContact CG-CG1 4.42Å; A148-V159 HydrophobicContact CB-CG1 4.15Å; A151-V159 HydrophobicContact CB-CG2 3.92Å; N157-V159 PolarHBondContact O-N 2.91Å; N157-V159 PolarHBondContact OD1-N 3.47Å; N157-V159 VanDerWaalsContact OD1-N 3.13Å; V159-L163 PolarHBondContact O-N 2.78Å; V159-L163 VanDerWaalsContact O-N 3.1Å
160F97.9Very high96.8Very high19 Ų1932.8 Ų32.88%0.08318%0.176CC..Hα-helixtrans-78.1-28.7177.9-59.5-71.8000112.4L146 T153 T154 N157 K158 A162 L163 K164 R179 F180L146-F160 HydrophobicContact CD2-CD1 4.23Å; L146-F160 HydrophobicContact CD2-CE1 3.93Å; T153-F160 HydrophobicContact CG2-CZ 3.96Å; T154-F160 WeakPolarHBondContact O-CE2 3.38Å; N157-F160 HydrophobicContact CB-CD2 3.9Å; N157-F160 HydrophobicContact CB-CE2 4.15Å; N157-F160 WeakPolarHBondContact O-CB 3.44Å; N157-F160 PolarHBondContact O-N 2.62Å; K158-F160 PolarHBondContact O-N 2.78Å; F160-A162 VanDerWaalsContact C-N 3.35Å; F160-A162 PolarHBondContact O-N 3.15Å; F160-L163 WeakPolarHBondContact O-CB 3.33Å; F160-L163 PolarHBondContact O-N 2.93Å; F160-K164 PolarHBondContact O-N 2.71Å; F160-R179 HydrophobicContact CD1-CB 3.69Å; F160-R179 HydrophobicContact CD1-CG 4.41Å; F160-R179 HydrophobicContact CD2-CB 3.72Å; F160-R179 HydrophobicContact CE1-CB 3.65Å; F160-R179 HydrophobicContact CE1-CG 3.86Å; F160-R179 HydrophobicContact CE2-CB 3.69Å; F160-R179 HydrophobicContact CE2-CG 4.02Å; F160-R179 HydrophobicContact CG-CB 3.74Å; F160-R179 HydrophobicContact CZ-CB 3.65Å; F160-R179 HydrophobicContact CZ-CG 3.64Å; F160-F180 HydrophobicContact CB-CD1 3.96Å; F160-F180 HydrophobicContact CB-CE1 3.99Å; F160-F180 WeakPolarHBondContact O-CE1 3.46Å
161G97.7Very high96.9Very high0 Ų028.9 Ų28.90%016%0.156CC..Hα-helixtrans-59.3-45.9168.600000112Y95 Y99 K158 L163 K164 G165Y95-G161 WeakPolarHBondContact OH-CA 3.36Å; Y95-G161 PolarHBondContact OH-N 3.43Å; Y99-G161 VanDerWaalsContact CA-O 3.28Å; Y99-G161 WeakPolarHBondContact CA-O 3.26Å; K158-G161 PolarHBondContact O-N 2.71Å; K158-G161 VanDerWaalsContact O-N 3.12Å; G161-L163 PolarHBondContact O-N 2.86Å; G161-K164 PolarHBondContact O-N 2.82Å; G161-G165 PolarHBondContact O-N 3.4Å
162A98.4Very high97Very high0 Ų028.2 Ų28.20%015%0.148CC..Hα-helixtrans-63.1-40.4173.300000112.7M51 V53 A98 G102 K158 F160 G165 A166M51-A162 HydrophobicContact CE-CB 4.25Å; M51-A162 WeakPolarHBondContact CE-O 3.39Å; V53-A162 HydrophobicContact CG1-CB 3.86Å; V53-A162 HydrophobicContact CG2-CB 4.01Å; A98-A162 HydrophobicContact CB-CB 4.28Å; A98-A162 VanDerWaalsContact O-CA 3.26Å; A98-A162 WeakPolarHBondContact O-CA 3.44Å; G102-A162 WeakPolarHBondContact CA-O 3.46Å; K158-A162 PolarHBondContact O-N 2.97Å; K158-A162 VanDerWaalsContact O-N 3.07Å; F160-A162 VanDerWaalsContact C-N 3.35Å; F160-A162 PolarHBondContact O-N 3.15Å; A162-G165 PolarHBondContact O-N 3.27Å; A162-A166 WeakPolarHBondContact O-CB 3.44Å; A162-A166 PolarHBondContact O-N 2.88Å
163L98.1Very high97.1Very high4 Ų418.6 Ų18.62%0.02111%0.112CC..Hα-helixtrans-57.8-49.9173.2176.7148.7000111L146 V159 F160 G161 G165 A166 V167 I173 H175 F180L146-L163 HydrophobicContact CB-CD1 3.99Å; L146-L163 HydrophobicContact CD1-CB 4.43Å; L146-L163 HydrophobicContact CD1-CD1 4.28Å; L146-L163 HydrophobicContact CD2-CD1 3.68Å; L146-L163 HydrophobicContact CG-CD1 4.17Å; V159-L163 PolarHBondContact O-N 2.78Å; V159-L163 VanDerWaalsContact O-N 3.1Å; F160-L163 WeakPolarHBondContact O-CB 3.33Å; F160-L163 PolarHBondContact O-N 2.93Å; G161-L163 PolarHBondContact O-N 2.86Å; L163-G165 PolarHBondContact O-N 2.9Å; L163-A166 WeakPolarHBondContact O-CB 3.37Å; L163-A166 PolarHBondContact O-N 3.44Å; L163-A166 VanDerWaalsContact O-N 3.1Å; L163-V167 HydrophobicContact CD2-CG2 4.22Å; L163-V167 WeakPolarHBondContact O-CG2 3.41Å; L163-V167 PolarHBondContact O-N 2.8Å; L163-I173 HydrophobicContact CD1-CG2 3.77Å; L163-I173 HydrophobicContact CG-CG2 4.22Å; L163-H175 HydrophobicContact CD1-CB 4.13Å; L163-H175 HydrophobicContact CD2-CB 4.04Å; L163-F180 HydrophobicContact CD2-CE1 3.94Å; L163-F180 HydrophobicContact CD2-CZ 3.63Å
164K98.1Very high97.2Very high1 Ų119.3 Ų19.30%0.00412%0.118CC..Hα-helixtrans-60.6-46.8-178.6-178.358.7172.5152.60111.1Y99 D128 F160 G161 A166 V167 D168 F180 I199Y99-K164 HydrophobicContact CD2-CB 4.22Å; Y99-K164 HydrophobicContact CD2-CG 4.11Å; Y99-K164 HydrophobicContact CE2-CB 4.43Å; Y99-K164 HydrophobicContact CE2-CG 3.9Å; D128-K164 VanDerWaalsContact O-CE 3.3Å; D128-K164 WeakPolarHBondContact O-CE 3.42Å; D128-K164 PolarHBondContact O-NZ 3.04Å; F160-K164 PolarHBondContact O-N 2.71Å; G161-K164 PolarHBondContact O-N 2.82Å; K164-A166 PolarHBondContact O-N 3.5Å; K164-V167 PolarHBondContact O-N 3.36Å; K164-V167 VanDerWaalsContact O-N 3.15Å; K164-D168 WeakPolarHBondContact CE-OD1 3.03Å; K164-D168 WeakPolarHBondContact CE-OD2 3.44Å; K164-D168 IonicContact NZ-OD1 2.76Å; K164-D168 PolarHBondContact NZ-OD1 3.33Å; K164-D168 IonicContact NZ-OD2 2.7Å; K164-D168 PolarHBondContact NZ-OD2 2.95Å; K164-D168 WeakPolarHBondContact O-CB 3.28Å; K164-D168 PolarHBondContact O-N 2.77Å; K164-F180 HydrophobicContact CB-CD1 4.45Å; K164-F180 HydrophobicContact CB-CE1 3.77Å; K164-F180 HydrophobicContact CB-CZ 4.16Å; K164-F180 HydrophobicContact CD-CZ 4.28Å; K164-I199 HydrophobicContact CG-CD1 4.27Å
165G97.9Very high97.2Very high0 Ų018 Ų180%011%0.107CC..Hα-helixtrans-60.4-34.2176.100000113.2Y99 L103 G161 A162 L163 G169Y99-G165 VanDerWaalsContact CD2-N 3.31Å; L103-G165 WeakPolarHBondContact CA-O 3.35Å; L103-G165 PolarHBondContact N-O 3.31Å; G161-G165 PolarHBondContact O-N 3.4Å; A162-G165 PolarHBondContact O-N 3.27Å; L163-G165 PolarHBondContact O-N 2.9Å; G165-G169 PolarHBondContact O-N 3.45Å
166A98.2Very high97.2Very high0 Ų017.8 Ų17.80%011%0.108CC..Hα-helixtrans-72-36.2176.500000113.2M51 G102 A106 A162 L163 K164 G169 G170 L171 I173M51-A166 HydrophobicContact CE-CB 3.52Å; M51-A166 HydrophobicContact SD-CB 3.78Å; G102-A166 WeakPolarHBondContact O-CA 3.49Å; A106-A166 HydrophobicContact CB-CB 4.37Å; A106-A166 WeakPolarHBondContact CB-O 3.43Å; A162-A166 WeakPolarHBondContact O-CB 3.44Å; A162-A166 PolarHBondContact O-N 2.88Å; L163-A166 WeakPolarHBondContact O-CB 3.37Å; L163-A166 PolarHBondContact O-N 3.44Å; L163-A166 VanDerWaalsContact O-N 3.1Å; K164-A166 PolarHBondContact O-N 3.5Å; A166-G169 CarbonylContact O-C 3.59Å; A166-G169 WeakPolarHBondContact O-CA 3.4Å; A166-G169 PolarHBondContact O-N 3.5Å; A166-G170 PolarHBondContact O-N 3.17Å; A166-L171 HydrophobicContact CB-CD1 4.25Å; A166-L171 WeakPolarHBondContact O-CB 3.49Å; A166-L171 PolarHBondContact O-N 2.97Å; A166-L171 VanDerWaalsContact O-N 3.1Å; A166-I173 HydrophobicContact CB-CD1 3.89Å
167V97.9Very high97.3Very high1 Ų117.4 Ų17.41%0.00610%0.1CC..Hα-helixtrans-71.8-45.5175.8-179.80000111.2Y130 V132 L163 K164 G169 G170 L171 I173Y130-V167 HydrophobicContact CD1-CG1 4.05Å; Y130-V167 WeakPolarHBondContact O-CG1 3.5Å; V132-V167 HydrophobicContact CG2-CG1 4.17Å; V132-V167 WeakPolarHBondContact CG2-O 3.45Å; L163-V167 HydrophobicContact CD2-CG2 4.22Å; L163-V167 WeakPolarHBondContact O-CG2 3.41Å; L163-V167 PolarHBondContact O-N 2.8Å; K164-V167 PolarHBondContact O-N 3.36Å; K164-V167 VanDerWaalsContact O-N 3.15Å; V167-G169 PolarHBondContact O-N 3.33Å; V167-G169 VanDerWaalsContact O-N 3.17Å; V167-G170 PolarHBondContact O-N 2.72Å; V167-L171 WeakPolarHBondContact CA-O 3.38Å; V167-I173 HydrophobicContact CG2-CB 3.81Å; V167-I173 HydrophobicContact CG2-CD1 4.22Å; V167-I173 HydrophobicContact CG2-CG1 4.13Å
168D97.5Very high97.2Very high1 Ų121.2 Ų21.21%0.00512%0.115CC..Hα-helixtrans-64.5-21.3172.8-65.1-10.7000111.3Y99 G121 Q122 K164 G170 R248Y99-D168 HydrophobicContact CE2-CB 4.38Å; Y99-D168 WeakPolarHBondContact CE2-OD2 3.41Å; Y99-D168 WeakPolarHBondContact OH-CB 3.16Å; Y99-D168 PolarHBondContact OH-OD2 3.22Å; Y99-D168 VanDerWaalsContact OH-OD2 3.13Å; G121-D168 CarbonylContact C-O 3.46Å; G121-D168 WeakPolarHBondContact CA-O 3.25Å; Q122-D168 HydrophobicContact CB-CB 4.16Å; Q122-D168 PolarHBondContact N-O 3.36Å; Q122-D168 VanDerWaalsContact N-O 3.08Å; K164-D168 WeakPolarHBondContact CE-OD1 3.03Å; K164-D168 WeakPolarHBondContact CE-OD2 3.44Å; K164-D168 IonicContact NZ-OD1 2.76Å; K164-D168 PolarHBondContact NZ-OD1 3.33Å; K164-D168 IonicContact NZ-OD2 2.7Å; K164-D168 PolarHBondContact NZ-OD2 2.95Å; K164-D168 WeakPolarHBondContact O-CB 3.28Å; K164-D168 PolarHBondContact O-N 2.77Å; D168-G170 VanDerWaalsContact C-N 3.3Å; D168-R248 PolarHBondContact O-NH2 3.01Å
169G97.2Very high97.2Very high0 Ų022.9 Ų22.90%012%0.119CC..THydrogen-bonded Turntrans-83.210.4168.300000115.4A106 R107 L110 G165 A166 V167A106-G169 VanDerWaalsContact CB-O 3.29Å; A106-G169 WeakPolarHBondContact CB-O 3.42Å; R107-G169 VanDerWaalsContact CZ-C 3.48Å; R107-G169 PolarHBondContact NE-O 2.86Å; R107-G169 PolarHBondContact NH2-O 3.23Å; L110-G169 VanDerWaalsContact CD1-O 3.25Å; L110-G169 WeakPolarHBondContact CD1-O 3.42Å; G165-G169 PolarHBondContact O-N 3.45Å; A166-G169 CarbonylContact O-C 3.59Å; A166-G169 WeakPolarHBondContact O-CA 3.4Å; A166-G169 PolarHBondContact O-N 3.5Å; V167-G169 PolarHBondContact O-N 3.33Å; V167-G169 VanDerWaalsContact O-N 3.17Å
170G96.7Very high97.1Very high0 Ų022.9 Ų22.90%012%0.119CC..THydrogen-bonded Turntrans90.79168.900000115.6A166 V167 D168A166-G170 PolarHBondContact O-N 3.17Å; V167-G170 PolarHBondContact O-N 2.72Å; D168-G170 VanDerWaalsContact C-N 3.3Å
171L97.6Very high97Very high0 Ų022.3 Ų22.30%012%0.117CC..  trans-87.2138.9172.2-56.5-174.2000111.4I64 A106 L109 L110 F142 A166 V167 I173I64-L171 HydrophobicContact CD1-CD1 3.6Å; A106-L171 HydrophobicContact CB-CD1 3.86Å; A106-L171 HydrophobicContact CB-CD2 4.33Å; A106-L171 HydrophobicContact CB-CG 3.63Å; L109-L171 HydrophobicContact CD2-CD1 4.29Å; L109-L171 HydrophobicContact CD2-CD2 3.51Å; L110-L171 HydrophobicContact CD2-CD2 4.15Å; L110-L171 HydrophobicContact CG-CD2 4.18Å; F142-L171 HydrophobicContact CB-CD2 4.1Å; F142-L171 HydrophobicContact CD1-CD2 4.23Å; F142-L171 HydrophobicContact CG-CD2 4.42Å; A166-L171 HydrophobicContact CB-CD1 4.25Å; A166-L171 WeakPolarHBondContact O-CB 3.49Å; A166-L171 PolarHBondContact O-N 2.97Å; A166-L171 VanDerWaalsContact O-N 3.1Å; V167-L171 WeakPolarHBondContact CA-O 3.38Å; L171-I173 HydrophobicContact CB-CD1 4.34Å; L171-I173 HydrophobicContact CB-CG1 4.15Å; L171-I173 PolarHBondContact O-N 3.02Å
172S97.5Very high96.9Very high26 Ų2623.5 Ų23.518%0.18213%0.129CC..BIsolated β-bridgetrans-84.3104.4171.2-167.90000109.4V132 F142 T143 C144V132-S172 PolarHBondContact O-OG 3.17Å; F142-S172 PolarHBondContact O-N 3.43Å; T143-S172 VanDerWaalsContact CA-O 3.3Å; T143-S172 WeakPolarHBondContact CA-O 3.46Å; C144-S172 PolarHBondContact N-O 3.45Å
173I97.7Very high96.8Very high3 Ų325.3 Ų25.32%0.01514%0.137CC..  trans-122.3110176.8-54178000107.8M51 C144 L146 L163 A166 V167 L171 H175M51-I173 HydrophobicContact CB-CD1 4.39Å; M51-I173 HydrophobicContact SD-CD1 3.49Å; M51-I173 WeakPolarHBondContact SD-CD1 3.27Å; C144-I173 WeakPolarHBondContact O-CA 3.33Å; L146-I173 HydrophobicContact CB-CG2 4.43Å; L163-I173 HydrophobicContact CD1-CG2 3.77Å; L163-I173 HydrophobicContact CG-CG2 4.22Å; A166-I173 HydrophobicContact CB-CD1 3.89Å; V167-I173 HydrophobicContact CG2-CB 3.81Å; V167-I173 HydrophobicContact CG2-CD1 4.22Å; V167-I173 HydrophobicContact CG2-CG1 4.13Å; L171-I173 HydrophobicContact CB-CD1 4.34Å; L171-I173 HydrophobicContact CB-CG1 4.15Å; L171-I173 PolarHBondContact O-N 3.02Å; I173-H175 PolarHBondContact O-N 3.3Å; I173-H175 PolarHBondContact O-ND1 2.86Å
174P96.9Very high96.6Very high85 Ų8528.4 Ų28.455%0.55215%0.153SC*.  trans-61.2123.1179.2-2433.9000111.4Y145Y145-P174 HydrophobicContact CD1-CG 4.48Å; Y145-P174 HydrophobicContact CE1-CG 4.24Å
175H95.9Very high96.3Very high42 Ų4232.8 Ų32.819%0.19418%0.184CC..  trans-154.4177-178.768.8-75.3000111.8N131 L163 I173 F180N131-H175 PolarHBondContact OD1-CE1 2.85Å; N131-H175 PolarHBondContact OD1-ND1 3.11Å; L163-H175 HydrophobicContact CD1-CB 4.13Å; L163-H175 HydrophobicContact CD2-CB 4.04Å; I173-H175 PolarHBondContact O-N 3.3Å; I173-H175 PolarHBondContact O-ND1 2.86Å; H175-F180 AromaticContact CD2-CE2 3.47Å; H175-F180 VanDerWaalsContact CD2-CE2 3.47Å; H175-F180 WeakPolarHBondContact CD2-CE2 3.34Å; H175-F180 AromaticContact CD2-CZ 3.4Å; H175-F180 VanDerWaalsContact CD2-CZ 3.4Å; H175-F180 WeakPolarHBondContact CD2-CZ 3.24Å; H175-F180 AromaticContact NE2-CE2 3.66Å; H175-F180 AromaticContact NE2-CZ 3.64Å
176S95Very high96.1Very high58 Ų5841 Ų4141%0.40622%0.222SC..  trans-132.8156.9172.667.50000109K178S176-K178 PolarHBondContact O-N 3.04Å; S176-K178 VanDerWaalsContact O-N 3.14Å
177T94.7Very high95.9Very high22 Ų2243.6 Ų43.614%0.13524%0.241CC..G310 helixtrans-64.7-17.2-179.352.20000115.3E129 R179 F180 F190E129-T177 HydrophobicContact CB-CG2 3.73Å; E129-T177 HydrophobicContact CG-CG2 3.93Å; E129-T177 WeakPolarHBondContact OE2-CG2 3.33Å; T177-R179 PolarHBondContact O-N 2.96Å; T177-F180 PolarHBondContact O-N 3.42Å; T177-F190 HydrophobicContact CG2-CD1 3.95Å; T177-F190 HydrophobicContact CG2-CE1 4.18Å; T177-F190 HydrophobicContact CG2-CG 4.29Å
178K96.3Very high95.7Very high115 Ų11551 Ų5150%0.527%0.273SS..G310 helixtrans-56.6-13.3-172.5-54.8-171.4179.3179.40117.3T155 S176 Y183T155-K178 PolarHBondContact OG1-O 3.13Å; S176-K178 PolarHBondContact O-N 3.04Å; S176-K178 VanDerWaalsContact O-N 3.14Å; K178-Y183 HydrophobicContact CB-CD1 4.08Å; K178-Y183 HydrophobicContact CB-CE1 3.82Å; K178-Y183 HydrophobicContact CB-CE2 4.44Å; K178-Y183 HydrophobicContact CB-CG 4.47Å; K178-Y183 HydrophobicContact CG-CE1 4.01Å; K178-Y183 HydrophobicContact CG-CE2 4.04Å; K178-Y183 VanDerWaalsContact O-CD1 3.29Å; K178-Y183 WeakPolarHBondContact O-CD1 3.18Å
179R96Very high95.6Very high99 Ų9957.8 Ų57.837%0.37430%0.304SS..G310 helixtrans-112.1-4.7-176.7-64.2-59.4-173-170.92.4113.7T153 G156 F160 T177T153-R179 PolarHBondContact O-NE 3.44Å; T153-R179 PolarHBondContact O-NH1 3.39Å; T153-R179 PolarHBondContact O-NH2 3.37Å; G156-R179 PolarHBondContact N-O 3.07Å; F160-R179 HydrophobicContact CD1-CB 3.69Å; F160-R179 HydrophobicContact CD1-CG 4.41Å; F160-R179 HydrophobicContact CD2-CB 3.72Å; F160-R179 HydrophobicContact CE1-CB 3.65Å; F160-R179 HydrophobicContact CE1-CG 3.86Å; F160-R179 HydrophobicContact CE2-CB 3.69Å; F160-R179 HydrophobicContact CE2-CG 4.02Å; F160-R179 HydrophobicContact CG-CB 3.74Å; F160-R179 HydrophobicContact CZ-CB 3.65Å; F160-R179 HydrophobicContact CZ-CG 3.64Å; T177-R179 PolarHBondContact O-N 2.96Å
180F97Very high95.5Very high4 Ų460.1 Ų60.12%0.01832%0.315CS..SBendtrans-80.8152.9176.1-61.6-50.7000111.5T155 F160 L163 K164 H175 T177 Y183 F190 H195T155-F180 WeakPolarHBondContact CG2-O 3.17Å; F160-F180 HydrophobicContact CB-CD1 3.96Å; F160-F180 HydrophobicContact CB-CE1 3.99Å; F160-F180 WeakPolarHBondContact O-CE1 3.46Å; L163-F180 HydrophobicContact CD2-CE1 3.94Å; L163-F180 HydrophobicContact CD2-CZ 3.63Å; K164-F180 HydrophobicContact CB-CD1 4.45Å; K164-F180 HydrophobicContact CB-CE1 3.77Å; K164-F180 HydrophobicContact CB-CZ 4.16Å; K164-F180 HydrophobicContact CD-CZ 4.28Å; H175-F180 AromaticContact CD2-CE2 3.47Å; H175-F180 VanDerWaalsContact CD2-CE2 3.47Å; H175-F180 WeakPolarHBondContact CD2-CE2 3.34Å; H175-F180 AromaticContact CD2-CZ 3.4Å; H175-F180 VanDerWaalsContact CD2-CZ 3.4Å; H175-F180 WeakPolarHBondContact CD2-CZ 3.24Å; H175-F180 AromaticContact NE2-CE2 3.66Å; H175-F180 AromaticContact NE2-CZ 3.64Å; T177-F180 PolarHBondContact O-N 3.42Å; F180-Y183 PolarHBondContact O-N 2.86Å; F180-F190 HydrophobicContact CB-CE2 3.83Å; F180-F190 HydrophobicContact CB-CZ 4.37Å; F180-H195 AromaticContact CD1-CE1 3.58Å; F180-H195 AromaticContact CD1-NE2 3.7Å; F180-H195 AromaticContact CD2-CE1 3.93Å; F180-H195 AromaticContact CG-CE1 3.48Å; F180-H195 VanDerWaalsContact CG-CE1 3.48Å; F180-H195 WeakPolarHBondContact CG-CE1 3.29Å; F180-H195 AromaticContact CG-NE2 3.9Å
181P96Very high95.4Very high7 Ų763.7 Ų63.75%0.04533%0.333CS..THydrogen-bonded Turntrans-54.2142165.6-15.425.8000110.9Y95 F190 H195 H198Y95-P181 HydrophobicContact CD2-CG 4.3Å; Y95-P181 HydrophobicContact CE1-CG 4.21Å; Y95-P181 HydrophobicContact CE2-CG 3.7Å; Y95-P181 WeakPolarHBondContact OH-CD 3.44Å; P181-F190 WeakPolarHBondContact O-CE2 3.42Å; P181-H195 WeakPolarHBondContact O-CB 3.32Å; P181-H198 HydrophobicContact CB-CB 4.33Å; P181-H198 WeakPolarHBondContact CB-CD2 3.27Å; P181-H198 HydrophobicContact CG-CB 4.06Å; P181-H198 WeakPolarHBondContact CG-CD2 3.48Å
182G94.4Very high95.4Very high25 Ų2564.7 Ų64.726%0.25834%0.342SS..THydrogen-bonded Turntrans91.7-4.7-175.900000114.6N191G182-N191 PolarHBondContact O-N 3.48Å
183Y96.4Very high95.3Very high39 Ų3968.7 Ų68.715%0.15336%0.358CS..BIsolated β-bridgetrans-86.3124.8169.1-174.2-103.4000111.2K178 F180 K188 E189 F190K178-Y183 HydrophobicContact CB-CD1 4.08Å; K178-Y183 HydrophobicContact CB-CE1 3.82Å; K178-Y183 HydrophobicContact CB-CE2 4.44Å; K178-Y183 HydrophobicContact CB-CG 4.47Å; K178-Y183 HydrophobicContact CG-CE1 4.01Å; K178-Y183 HydrophobicContact CG-CE2 4.04Å; K178-Y183 VanDerWaalsContact O-CD1 3.29Å; K178-Y183 WeakPolarHBondContact O-CD1 3.18Å; F180-Y183 PolarHBondContact O-N 2.86Å; Y183-K188 WeakPolarHBondContact CE2-O 3.35Å; Y183-E189 WeakPolarHBondContact CA-O 3.17Å; Y183-E189 WeakPolarHBondContact CD2-O 3.41Å; Y183-F190 HydrophobicContact CD2-CB 4.14Å
184D94.6Very high95.2Very high68 Ų6870.9 Ų70.936%0.36437%0.371SS..  trans-100.9129.3170.6172.430.7000110.7E186 S187 K188 E189D184-E186 VanDerWaalsContact C-N 3.35Å; D184-E186 PolarHBondContact OD1-N 2.83Å; D184-S187 WeakPolarHBondContact CB-OG 3.36Å; D184-S187 VanDerWaalsContact OD2-CB 3.27Å; D184-S187 WeakPolarHBondContact OD2-CB 3.44Å; D184-S187 PolarHBondContact OD2-N 3.33Å; D184-S187 PolarHBondContact OD2-OG 3.22Å; D184-K188 WeakPolarHBondContact O-CA 3.18Å; D184-K188 PolarHBondContact O-N 3.39Å; D184-E189 PolarHBondContact N-O 3.14Å
185S92.1Very high95.2Very high93 Ų9366.9 Ų66.965%0.6535%0.345SS*.THydrogen-bonded Turntrans-75.9-22.2-179.750.80000113.9
186E93.2Very high95.3Very high172 Ų17268.3 Ų68.380%0.80435%0.349SS*.THydrogen-bonded Turntrans-81.3-57-178.5-64.4-175.5-179.100110.7D184 K188D184-E186 VanDerWaalsContact C-N 3.35Å; D184-E186 PolarHBondContact OD1-N 2.83Å; E186-K188 VanDerWaalsContact C-N 3.3Å; E186-K188 PolarHBondContact O-N 2.91Å
187S94Very high95.4Very high56 Ų5669 Ų6939%0.39234%0.344SS..THydrogen-bonded Turntrans-71.6-21.9174.859.70000113.7D184 E189D184-S187 WeakPolarHBondContact CB-OG 3.36Å; D184-S187 VanDerWaalsContact OD2-CB 3.27Å; D184-S187 WeakPolarHBondContact OD2-CB 3.44Å; D184-S187 PolarHBondContact OD2-N 3.33Å; D184-S187 PolarHBondContact OD2-OG 3.22Å; S187-E189 PolarHBondContact O-N 3.17Å; S187-E189 PolarHBondContact OG-N 2.76Å
188K93.5Very high95.5Very high157 Ų15770.2 Ų70.268%0.68335%0.349SS*.  trans61.618.8-170.3-55.1174.1-175.21650113.5Y183 D184 E186Y183-K188 WeakPolarHBondContact CE2-O 3.35Å; D184-K188 WeakPolarHBondContact O-CA 3.18Å; D184-K188 PolarHBondContact O-N 3.39Å; E186-K188 VanDerWaalsContact C-N 3.3Å; E186-K188 PolarHBondContact O-N 2.91Å
189E94.7Very high95.6Very high143 Ų14364.8 Ų64.867%0.66833%0.325SS*.  trans-91.5150.5178.4-65-179.1175.500111.4Y183 D184 S187Y183-E189 WeakPolarHBondContact CA-O 3.17Å; Y183-E189 WeakPolarHBondContact CD2-O 3.41Å; D184-E189 PolarHBondContact N-O 3.14Å; S187-E189 PolarHBondContact O-N 3.17Å; S187-E189 PolarHBondContact OG-N 2.76Å
190F95Very high95.6Very high49 Ų4960.4 Ų60.422%0.21531%0.309CS..BIsolated β-bridgetrans-119.5118.9177.7174.8-116.2000110G127 T177 F180 P181 Y183 A192 H195G127-F190 WeakPolarHBondContact O-CZ 3.34Å; T177-F190 HydrophobicContact CG2-CD1 3.95Å; T177-F190 HydrophobicContact CG2-CE1 4.18Å; T177-F190 HydrophobicContact CG2-CG 4.29Å; F180-F190 HydrophobicContact CB-CE2 3.83Å; F180-F190 HydrophobicContact CB-CZ 4.37Å; P181-F190 WeakPolarHBondContact O-CE2 3.42Å; Y183-F190 HydrophobicContact CD2-CB 4.14Å; F190-A192 HydrophobicContact CE1-CB 4.04Å; F190-H195 HydrophobicContact CE2-CB 4.1Å; F190-H195 HydrophobicContact CZ-CB 3.84Å; F190-H195 AromaticContact CZ-ND1 3.67Å
191N95.9Very high95.6Very high74 Ų7460.2 Ų60.240%0.39631%0.308SS..  trans-96.3103.5174.3-173.2-37.8000110.6G182 E193 V194 H195G182-N191 PolarHBondContact O-N 3.48Å; N191-E193 VanDerWaalsContact C-N 3.28Å; N191-E193 PolarHBondContact O-N 3.49Å; N191-E193 WeakPolarHBondContact OD1-CA 3.37Å; N191-E193 WeakPolarHBondContact OD1-CB 3.42Å; N191-E193 PolarHBondContact OD1-N 3.39Å; N191-V194 HydrophobicContact CB-CB 4.39Å; N191-V194 HydrophobicContact CB-CG2 4.06Å; N191-V194 PolarHBondContact O-N 2.98Å; N191-V194 PolarHBondContact OD1-N 2.99Å; N191-V194 VanDerWaalsContact OD1-N 3.12Å; N191-H195 PolarHBondContact O-N 3.06Å
192A96.1Very high95.6Very high22 Ų2261.8 Ų61.818%0.18232%0.315CS..Hα-helixtrans-62.6-31.9178.500000113.2D128 F190 H195 R196D128-A192 HydrophobicContact CB-CB 4.09Å; F190-A192 HydrophobicContact CE1-CB 4.04Å; A192-H195 WeakPolarHBondContact O-CB 3.33Å; A192-H195 PolarHBondContact O-N 2.94Å; A192-R196 PolarHBondContact O-N 3.37Å
193E96Very high95.7Very high110 Ų11063.1 Ų63.151%0.51432%0.316SS..Hα-helixtrans-62.2-48178.1-164.5-162.5142.100110.3N191 H195 R196 K197N191-E193 VanDerWaalsContact C-N 3.28Å; N191-E193 PolarHBondContact O-N 3.49Å; N191-E193 WeakPolarHBondContact OD1-CA 3.37Å; N191-E193 WeakPolarHBondContact OD1-CB 3.42Å; N191-E193 PolarHBondContact OD1-N 3.39Å; E193-H195 VanDerWaalsContact C-N 3.27Å; E193-H195 PolarHBondContact O-N 2.88Å; E193-R196 WeakPolarHBondContact O-CA 3.24Å; E193-R196 WeakPolarHBondContact O-CB 3.32Å; E193-R196 PolarHBondContact O-N 3.49Å; E193-R196 VanDerWaalsContact O-N 3.09Å; E193-K197 VanDerWaalsContact O-CG 3.25Å; E193-K197 WeakPolarHBondContact O-CG 3.38Å; E193-K197 PolarHBondContact O-N 2.95Å; E193-K197 WeakPolarHBondContact OE1-CE 3.18Å; E193-K197 IonicContact OE1-NZ 3.15Å; E193-K197 PolarHBondContact OE1-NZ 3.45Å
194V96.3Very high95.7Very high49 Ų4962.2 Ų62.230%0.29732%0.315SS..Hα-helixtrans-58.1-41.5176.3175.90000111.1N191 K197 H198N191-V194 HydrophobicContact CB-CB 4.39Å; N191-V194 HydrophobicContact CB-CG2 4.06Å; N191-V194 PolarHBondContact O-N 2.98Å; N191-V194 PolarHBondContact OD1-N 2.99Å; N191-V194 VanDerWaalsContact OD1-N 3.12Å; V194-K197 WeakPolarHBondContact O-CB 3.27Å; V194-K197 PolarHBondContact O-N 2.86Å; V194-H198 PolarHBondContact O-N 2.96Å
195H97.4Very high95.8Very high0 Ų059.2 Ų59.20%030%0.299CS..Hα-helixtrans-61.8-46.2175.6-170.4-165.5000111.7Y95 G127 F180 P181 F190 N191 A192 E193 K197 H198 I199Y95-H195 AromaticContact CE1-NE2 3.92Å; Y95-H195 AromaticContact CZ-NE2 3.76Å; Y95-H195 PolarHBondContact OH-CD2 3.04Å; Y95-H195 PolarHBondContact OH-NE2 3.31Å; G127-H195 PolarHBondContact O-ND1 3.5Å; F180-H195 AromaticContact CD1-CE1 3.58Å; F180-H195 AromaticContact CD1-NE2 3.7Å; F180-H195 AromaticContact CD2-CE1 3.93Å; F180-H195 AromaticContact CG-CE1 3.48Å; F180-H195 VanDerWaalsContact CG-CE1 3.48Å; F180-H195 WeakPolarHBondContact CG-CE1 3.29Å; F180-H195 AromaticContact CG-NE2 3.9Å; P181-H195 WeakPolarHBondContact O-CB 3.32Å; F190-H195 HydrophobicContact CE2-CB 4.1Å; F190-H195 HydrophobicContact CZ-CB 3.84Å; F190-H195 AromaticContact CZ-ND1 3.67Å; N191-H195 PolarHBondContact O-N 3.06Å; A192-H195 WeakPolarHBondContact O-CB 3.33Å; A192-H195 PolarHBondContact O-N 2.94Å; E193-H195 VanDerWaalsContact C-N 3.27Å; E193-H195 PolarHBondContact O-N 2.88Å; H195-K197 VanDerWaalsContact C-N 3.31Å; H195-K197 PolarHBondContact O-N 3.2Å; H195-H198 PolarHBondContact O-N 3.13Å; H195-H198 VanDerWaalsContact O-N 3.14Å; H195-I199 WeakPolarHBondContact O-CG1 3.35Å; H195-I199 PolarHBondContact O-N 3.27Å
196R96.9Very high96Very high73 Ų7358.4 Ų58.428%0.27529%0.287SS..Hα-helixtrans-57.1-43.2175.2-172.3-173.1174.2-76.2-3.9111.6V125 A192 E193 H198 I199 M200 E237V125-R196 PolarHBondContact O-NE 3.22Å; A192-R196 PolarHBondContact O-N 3.37Å; E193-R196 WeakPolarHBondContact O-CA 3.24Å; E193-R196 WeakPolarHBondContact O-CB 3.32Å; E193-R196 PolarHBondContact O-N 3.49Å; E193-R196 VanDerWaalsContact O-N 3.09Å; R196-H198 VanDerWaalsContact C-N 3.25Å; R196-H198 PolarHBondContact O-N 3.14Å; R196-I199 PolarHBondContact O-N 3Å; R196-I199 VanDerWaalsContact O-N 3.1Å; R196-M200 HydrophobicContact CG-CG 4.34Å; R196-M200 WeakPolarHBondContact O-CG 3.48Å; R196-M200 PolarHBondContact O-N 3.37Å; R196-E237 IonicContact CZ-OE1 3.34Å; R196-E237 IonicContact NH1-OE1 2.76Å; R196-E237 PolarHBondContact NH1-OE1 2.86Å; R196-E237 IonicContact NH2-OE1 3.33Å; R196-E237 PolarHBondContact NH2-OE1 3.33Å
197K97.1Very high96.2Very high71 Ų7155 Ų5531%0.30927%0.268SS..Hα-helixtrans-55.4-42176.8-57.2-157.5172.7154.70111.5E193 V194 H195 G201 Q202E193-K197 VanDerWaalsContact O-CG 3.25Å; E193-K197 WeakPolarHBondContact O-CG 3.38Å; E193-K197 PolarHBondContact O-N 2.95Å; E193-K197 WeakPolarHBondContact OE1-CE 3.18Å; E193-K197 IonicContact OE1-NZ 3.15Å; E193-K197 PolarHBondContact OE1-NZ 3.45Å; V194-K197 WeakPolarHBondContact O-CB 3.27Å; V194-K197 PolarHBondContact O-N 2.86Å; H195-K197 VanDerWaalsContact C-N 3.31Å; H195-K197 PolarHBondContact O-N 3.2Å; K197-G201 PolarHBondContact O-N 3.38Å; K197-Q202 HydrophobicContact CB-CB 4.05Å; K197-Q202 WeakPolarHBondContact O-CB 3.37Å; K197-Q202 PolarHBondContact O-N 3.45Å
198H97.2Very high96.3Very high49 Ų4952.4 Ų52.423%0.22725%0.249CC..Hα-helixtrans-71.8-35.4177.8-74.421.9000113.5Y95 P181 V194 H195 R196 G201Y95-H198 HydrophobicContact CD1-CB 3.73Å; Y95-H198 HydrophobicContact CE1-CB 4.06Å; Y95-H198 HydrophobicContact CG-CB 4.23Å; P181-H198 HydrophobicContact CB-CB 4.33Å; P181-H198 WeakPolarHBondContact CB-CD2 3.27Å; P181-H198 HydrophobicContact CG-CB 4.06Å; P181-H198 WeakPolarHBondContact CG-CD2 3.48Å; V194-H198 PolarHBondContact O-N 2.96Å; H195-H198 PolarHBondContact O-N 3.13Å; H195-H198 VanDerWaalsContact O-N 3.14Å; R196-H198 VanDerWaalsContact C-N 3.25Å; R196-H198 PolarHBondContact O-N 3.14Å; H198-G201 PolarHBondContact O-N 2.69Å
199I97.5Very high96.5Very high0 Ų049.8 Ų49.80%024%0.235CC..Hα-helixtrans-65.5-41.4175.7-64.4166000110.6Y95 A96 Y99 V125 K164 H195 R196 G201Y95-I199 HydrophobicContact CE1-CG1 3.99Å; A96-I199 WeakPolarHBondContact CB-O 3.45Å; Y99-I199 HydrophobicContact CD1-CG2 3.52Å; Y99-I199 HydrophobicContact CD2-CB 4.43Å; Y99-I199 HydrophobicContact CD2-CD1 4.04Å; Y99-I199 HydrophobicContact CD2-CG1 3.87Å; Y99-I199 HydrophobicContact CD2-CG2 3.73Å; Y99-I199 HydrophobicContact CE1-CG2 3.67Å; Y99-I199 HydrophobicContact CE2-CD1 3.93Å; Y99-I199 HydrophobicContact CE2-CG1 4.23Å; Y99-I199 HydrophobicContact CE2-CG2 3.86Å; Y99-I199 HydrophobicContact CG-CB 4.48Å; Y99-I199 HydrophobicContact CG-CG1 4.32Å; Y99-I199 HydrophobicContact CG-CG2 3.56Å; V125-I199 HydrophobicContact CG1-CB 4.32Å; V125-I199 HydrophobicContact CG1-CD1 3.96Å; V125-I199 HydrophobicContact CG1-CG2 3.67Å; K164-I199 HydrophobicContact CG-CD1 4.27Å; H195-I199 WeakPolarHBondContact O-CG1 3.35Å; H195-I199 PolarHBondContact O-N 3.27Å; R196-I199 PolarHBondContact O-N 3Å; R196-I199 VanDerWaalsContact O-N 3.1Å; I199-G201 PolarHBondContact O-N 3.28Å
200M97Very high96.6Very high8 Ų849.1 Ų49.14%0.03923%0.227CC..THydrogen-bonded Turntrans-83.65179.2-60.8-53.8-173.100113.7V125 R196 Q202 E237 Y240V125-M200 HydrophobicContact CB-CE 3.69Å; V125-M200 HydrophobicContact CG1-CE 3.97Å; V125-M200 HydrophobicContact CG2-CE 4.38Å; R196-M200 HydrophobicContact CG-CG 4.34Å; R196-M200 WeakPolarHBondContact O-CG 3.48Å; R196-M200 PolarHBondContact O-N 3.37Å; M200-Q202 HydrophobicContact CB-CG 4.36Å; M200-Q202 PolarHBondContact O-N 2.77Å; M200-E237 HydrophobicContact CB-CB 4.37Å; M200-E237 HydrophobicContact CB-CG 4.03Å; M200-E237 HydrophobicContact CG-CG 4.25Å; M200-Y240 WeakPolarHBondContact O-CD2 3.48Å
201G96.2Very high96.6Very high0 Ų047.2 Ų47.20%022%0.22CC..THydrogen-bonded Turntrans67.815.4177.800000114.9K197 H198 I199 N203 V204 A205K197-G201 PolarHBondContact O-N 3.38Å; H198-G201 PolarHBondContact O-N 2.69Å; I199-G201 PolarHBondContact O-N 3.28Å; G201-N203 VanDerWaalsContact C-N 3.26Å; G201-N203 PolarHBondContact O-N 3.06Å; G201-V204 WeakPolarHBondContact O-CB 3.44Å; G201-V204 PolarHBondContact O-N 3.37Å; G201-A205 PolarHBondContact O-N 2.72Å; G201-A205 VanDerWaalsContact O-N 3.09Å
202Q96.3Very high96.5Very high39 Ų3948.1 Ų48.118%0.18222%0.223CC..Hα-helixtrans-62.3-34.6178.6-69.8-177.1-14.900111.5K197 M200 V204 A205 D206 E237K197-Q202 HydrophobicContact CB-CB 4.05Å; K197-Q202 WeakPolarHBondContact O-CB 3.37Å; K197-Q202 PolarHBondContact O-N 3.45Å; M200-Q202 HydrophobicContact CB-CG 4.36Å; M200-Q202 PolarHBondContact O-N 2.77Å; Q202-V204 PolarHBondContact O-N 3.02Å; Q202-A205 CarbonylContact O-C 3.47Å; Q202-A205 WeakPolarHBondContact O-CA 3.39Å; Q202-A205 WeakPolarHBondContact O-CB 3.43Å; Q202-A205 PolarHBondContact O-N 3.22Å; Q202-D206 PolarHBondContact O-N 3.22Å; Q202-E237 PolarHBondContact NE2-OE2 3.38Å
203N95.6Very high96.5Very high54 Ų5454.7 Ų54.729%0.28925%0.25SC..Hα-helixtrans-61.7-29.8174.667.8-47.9000113.4G201 Y207G201-N203 VanDerWaalsContact C-N 3.26Å; G201-N203 PolarHBondContact O-N 3.06Å; N203-Y207 WeakPolarHBondContact O-CB 2.95Å; N203-Y207 PolarHBondContact O-N 3.33Å
204V96.6Very high96.5Very high20 Ų2055.8 Ų55.812%0.12126%0.255CS..Hα-helixtrans-76.9-40.4173.3-1780000109.8N94 G201 Q202 Y207 M208 F223 M236N94-V204 HydrophobicContact CB-CG2 4.33Å; G201-V204 WeakPolarHBondContact O-CB 3.44Å; G201-V204 PolarHBondContact O-N 3.37Å; Q202-V204 PolarHBondContact O-N 3.02Å; V204-Y207 PolarHBondContact O-N 3.26Å; V204-M208 HydrophobicContact CG1-SD 4.42Å; V204-M208 VanDerWaalsContact O-CG 3.28Å; V204-M208 WeakPolarHBondContact O-CG 3.5Å; V204-M208 PolarHBondContact O-N 3.32Å; V204-F223 HydrophobicContact CG1-CE1 3.93Å; V204-F223 HydrophobicContact CG1-CZ 4.5Å; V204-M236 HydrophobicContact CB-CE 3.88Å; V204-M236 HydrophobicContact CG1-CE 3.84Å
205A97Very high96.5Very high4 Ų457 Ų573%0.03326%0.259CS..Hα-helixtrans-60.8-44.817500000112.3G201 Q202 Y207 M208 R209 P233 M236G201-A205 PolarHBondContact O-N 2.72Å; G201-A205 VanDerWaalsContact O-N 3.09Å; Q202-A205 CarbonylContact O-C 3.47Å; Q202-A205 WeakPolarHBondContact O-CA 3.39Å; Q202-A205 WeakPolarHBondContact O-CB 3.43Å; Q202-A205 PolarHBondContact O-N 3.22Å; A205-Y207 VanDerWaalsContact C-N 3.33Å; A205-Y207 PolarHBondContact O-N 3.37Å; A205-M208 WeakPolarHBondContact O-CB 3.35Å; A205-M208 PolarHBondContact O-N 2.96Å; A205-M208 VanDerWaalsContact O-N 3.16Å; A205-R209 WeakPolarHBondContact O-CG 3.01Å; A205-R209 PolarHBondContact O-N 2.93Å; A205-P233 HydrophobicContact CB-CB 3.93Å; A205-P233 WeakPolarHBondContact CB-O 3.4Å; A205-M236 HydrophobicContact CB-CB 4.21Å; A205-M236 HydrophobicContact CB-CG 4.11Å
206D96.8Very high96.4Very high76 Ų7662.2 Ų62.241%0.40628%0.284SS..Hα-helixtrans-63.1-41.3178-63-27.2000111Q202 M208 R209 Y210Q202-D206 PolarHBondContact O-N 3.22Å; D206-M208 VanDerWaalsContact C-N 3.34Å; D206-M208 PolarHBondContact O-N 3.49Å; D206-R209 PolarHBondContact O-N 2.75Å; D206-R209 IonicContact OD1-NH1 2.62Å; D206-R209 PolarHBondContact OD1-NH1 3.35Å; D206-Y210 WeakPolarHBondContact O-CB 3.31Å; D206-Y210 PolarHBondContact O-N 3.09Å
207Y97Very high96.3Very high102 Ų10264.5 Ų64.540%0.430%0.302SS..Hα-helixtrans-68.8-32.3175.1-177-123.7000112.8N203 V204 A205 Y210 L211 Q222 F223N203-Y207 WeakPolarHBondContact O-CB 2.95Å; N203-Y207 PolarHBondContact O-N 3.33Å; V204-Y207 PolarHBondContact O-N 3.26Å; A205-Y207 VanDerWaalsContact C-N 3.33Å; A205-Y207 PolarHBondContact O-N 3.37Å; Y207-Y210 HydrophobicContact CD2-CD1 4.17Å; Y207-Y210 HydrophobicContact CE2-CD1 4.27Å; Y207-L211 HydrophobicContact CD1-CD1 4.23Å; Y207-L211 HydrophobicContact CD2-CD1 4.4Å; Y207-L211 HydrophobicContact CD2-CG 4.31Å; Y207-L211 HydrophobicContact CE1-CD1 3.59Å; Y207-L211 HydrophobicContact CE1-CG 4.48Å; Y207-L211 HydrophobicContact CE2-CD1 3.82Å; Y207-L211 HydrophobicContact CE2-CD2 4.23Å; Y207-L211 HydrophobicContact CE2-CG 3.87Å; Y207-L211 WeakPolarHBondContact O-CG 3.33Å; Y207-L211 PolarHBondContact O-N 3.48Å; Y207-L211 WeakPolarHBondContact OH-CD1 3.35Å; Y207-Q222 VanDerWaalsContact CE1-OE1 3.28Å; Y207-Q222 PolarHBondContact OH-NE2 3.16Å; Y207-Q222 PolarHBondContact OH-OE1 3.26Å; Y207-F223 HydrophobicContact CD1-CE2 4.16Å; Y207-F223 AromaticContact CD1-CZ 3.74Å; Y207-F223 HydrophobicContact CD1-CZ 3.74Å; Y207-F223 HydrophobicContact CE1-CE2 4.26Å; Y207-F223 HydrophobicContact CE1-CZ 4.11Å
208M96.5Very high96.3Very high0 Ų061.8 Ų61.80%029%0.292CS..Hα-helixtrans-63.6-47.1170.1-72.7172.772.600111V204 A205 D206 L211 M212 Y219 F223 Y226 P233V204-M208 HydrophobicContact CG1-SD 4.42Å; V204-M208 VanDerWaalsContact O-CG 3.28Å; V204-M208 WeakPolarHBondContact O-CG 3.5Å; V204-M208 PolarHBondContact O-N 3.32Å; A205-M208 WeakPolarHBondContact O-CB 3.35Å; A205-M208 PolarHBondContact O-N 2.96Å; A205-M208 VanDerWaalsContact O-N 3.16Å; D206-M208 VanDerWaalsContact C-N 3.34Å; D206-M208 PolarHBondContact O-N 3.49Å; M208-L211 PolarHBondContact O-N 2.88Å; M208-M212 VanDerWaalsContact O-CG 3.22Å; M208-M212 WeakPolarHBondContact O-CG 3.43Å; M208-M212 PolarHBondContact O-N 3.41Å; M208-Y219 HydrophobicContact CB-CE2 4.02Å; M208-Y219 HydrophobicContact CE-CE2 3.87Å; M208-Y219 HydrophobicContact CG-CE2 4.17Å; M208-F223 HydrophobicContact CB-CE2 4.37Å; M208-F223 HydrophobicContact CB-CZ 4.41Å; M208-F223 HydrophobicContact CE-CD1 4.41Å; M208-F223 HydrophobicContact CE-CG 4.48Å; M208-F223 HydrophobicContact CG-CD1 3.68Å; M208-F223 HydrophobicContact CG-CD2 3.9Å; M208-F223 HydrophobicContact CG-CE1 3.41Å; M208-F223 VanDerWaalsContact CG-CE1 3.41Å; M208-F223 HydrophobicContact CG-CE2 3.61Å; M208-F223 HydrophobicContact CG-CG 3.91Å; M208-F223 HydrophobicContact CG-CZ 3.35Å; M208-F223 HydrophobicContact SD-CD1 4.01Å; M208-F223 HydrophobicContact SD-CE1 4.04Å; M208-Y226 HydrophobicContact CE-CD1 4.2Å; M208-Y226 HydrophobicContact CE-CG 4.37Å; M208-Y226 HydrophobicContact SD-CD1 4.16Å; M208-Y226 HydrophobicContact SD-CE1 4.44Å; M208-P233 HydrophobicContact CB-CB 4.4Å; M208-P233 HydrophobicContact CB-CG 3.72Å; M208-P233 HydrophobicContact CE-CG 4.05Å; M208-P233 HydrophobicContact SD-CG 4.4Å
209R96.5Very high96.2Very high102 Ų10260.6 Ų60.639%0.38529%0.286SS..Hα-helixtrans-59.2-48.5177.4-69.6174.8-176150-6.5111.5A205 D206 L211 M212 E213 P233 D234A205-R209 WeakPolarHBondContact O-CG 3.01Å; A205-R209 PolarHBondContact O-N 2.93Å; D206-R209 PolarHBondContact O-N 2.75Å; D206-R209 IonicContact OD1-NH1 2.62Å; D206-R209 PolarHBondContact OD1-NH1 3.35Å; R209-L211 PolarHBondContact O-N 2.98Å; R209-M212 WeakPolarHBondContact O-CB 3.33Å; R209-M212 PolarHBondContact O-N 3.14Å; R209-M212 VanDerWaalsContact O-N 3.14Å; R209-E213 PolarHBondContact O-N 3.21Å; R209-P233 HydrophobicContact CG-CB 3.9Å; R209-P233 HydrophobicContact CG-CG 4.11Å; R209-D234 IonicContact CZ-OD1 2.81Å; R209-D234 IonicContact NE-OD1 3.84Å; R209-D234 IonicContact NH2-OD1 3.55Å; R209-D234 PolarHBondContact NH2-OD1 3.2Å
210Y96.8Very high96.1Very high129 Ų12964.9 Ų64.951%0.50631%0.305SS..Hα-helixtrans-54.5-48.8175.8173.3-100.5000112.3D206 Y207 M212 E213 E214D206-Y210 WeakPolarHBondContact O-CB 3.31Å; D206-Y210 PolarHBondContact O-N 3.09Å; Y207-Y210 HydrophobicContact CD2-CD1 4.17Å; Y207-Y210 HydrophobicContact CE2-CD1 4.27Å; Y210-M212 PolarHBondContact O-N 2.83Å; Y210-E213 PolarHBondContact O-N 3.19Å; Y210-E214 HydrophobicContact CD2-CG 3.92Å; Y210-E214 HydrophobicContact CE1-CG 4.47Å; Y210-E214 HydrophobicContact CE2-CB 4.42Å; Y210-E214 HydrophobicContact CE2-CG 3.53Å; Y210-E214 WeakPolarHBondContact O-CB 3.2Å; Y210-E214 WeakPolarHBondContact O-CG 3.38Å; Y210-E214 PolarHBondContact O-N 2.84Å
211L96.8Very high96.1Very high10 Ų1072.7 Ų72.75%0.05234%0.338CS..Hα-helixtrans-71.1-29179.2-72.7178.3000113.4Y207 M208 R209 E213 D215 E216 A218 Y219 F223Y207-L211 HydrophobicContact CD1-CD1 4.23Å; Y207-L211 HydrophobicContact CD2-CD1 4.4Å; Y207-L211 HydrophobicContact CD2-CG 4.31Å; Y207-L211 HydrophobicContact CE1-CD1 3.59Å; Y207-L211 HydrophobicContact CE1-CG 4.48Å; Y207-L211 HydrophobicContact CE2-CD1 3.82Å; Y207-L211 HydrophobicContact CE2-CD2 4.23Å; Y207-L211 HydrophobicContact CE2-CG 3.87Å; Y207-L211 WeakPolarHBondContact O-CG 3.33Å; Y207-L211 PolarHBondContact O-N 3.48Å; Y207-L211 WeakPolarHBondContact OH-CD1 3.35Å; M208-L211 PolarHBondContact O-N 2.88Å; R209-L211 PolarHBondContact O-N 2.98Å; L211-E213 PolarHBondContact O-N 3.07Å; L211-D215 HydrophobicContact CD2-CB 4.32Å; L211-D215 CarbonylContact O-C 2.94Å; L211-D215 PolarHBondContact O-N 2.78Å; L211-E216 PolarHBondContact O-N 2.9Å; L211-A218 HydrophobicContact CD2-CB 4.14Å; L211-Y219 HydrophobicContact CB-CD2 4.47Å; L211-F223 HydrophobicContact CD1-CD2 4.48Å; L211-F223 HydrophobicContact CD1-CE2 3.78Å
212M93.9Very high96.1Very high93 Ų9377.5 Ų77.546%0.45836%0.361SS..Hα-helixtrans-64.3-32.3174-74172.36400112M208 R209 Y210 Y219 P233M208-M212 VanDerWaalsContact O-CG 3.22Å; M208-M212 WeakPolarHBondContact O-CG 3.43Å; M208-M212 PolarHBondContact O-N 3.41Å; R209-M212 WeakPolarHBondContact O-CB 3.33Å; R209-M212 PolarHBondContact O-N 3.14Å; R209-M212 VanDerWaalsContact O-N 3.14Å; Y210-M212 PolarHBondContact O-N 2.83Å; M212-Y219 HydrophobicContact CG-CD1 3.87Å; M212-Y219 HydrophobicContact CG-CD2 3.61Å; M212-Y219 HydrophobicContact CG-CE1 3.84Å; M212-Y219 HydrophobicContact CG-CE2 3.61Å; M212-Y219 HydrophobicContact CG-CG 3.75Å; M212-Y219 HydrophobicContact SD-CD2 4.49Å; M212-Y219 HydrophobicContact SD-CE1 4.27Å; M212-Y219 HydrophobicContact SD-CE2 3.9Å; M212-P233 HydrophobicContact SD-CG 4.09Å
213E95.5Very high96.1Very high160 Ų16076.2 Ų76.275%0.74836%0.355SS*.Hα-helixtrans-85-43.4179-68.5173.1-169.600112.4R209 Y210 L211R209-E213 PolarHBondContact O-N 3.21Å; Y210-E213 PolarHBondContact O-N 3.19Å; L211-E213 PolarHBondContact O-N 3.07Å
214E96.3Very high96.1Very high132 Ų13276.3 Ų76.362%0.61736%0.359SS*.Hα-helixtrans-94.3-37.1-170.2-64.1-74.113800114.5Y210Y210-E214 HydrophobicContact CD2-CG 3.92Å; Y210-E214 HydrophobicContact CE1-CG 4.47Å; Y210-E214 HydrophobicContact CE2-CB 4.42Å; Y210-E214 HydrophobicContact CE2-CG 3.53Å; Y210-E214 WeakPolarHBondContact O-CB 3.2Å; Y210-E214 WeakPolarHBondContact O-CG 3.38Å; Y210-E214 PolarHBondContact O-N 2.84Å
215D95.4Very high96.1Very high75 Ų7580.6 Ų80.640%0.40138%0.378SS..  trans-151.583.2-173.9-173.7-13.3000111.4L211 D217 A218 Y219L211-D215 HydrophobicContact CD2-CB 4.32Å; L211-D215 CarbonylContact O-C 2.94Å; L211-D215 PolarHBondContact O-N 2.78Å; D215-D217 PolarHBondContact O-N 3.02Å; D215-D217 PolarHBondContact OD1-N 3.36Å; D215-A218 HydrophobicContact CB-CB 3.96Å; D215-A218 PolarHBondContact O-N 3.13Å; D215-A218 WeakPolarHBondContact OD1-CB 3.38Å; D215-A218 PolarHBondContact OD1-N 3.5Å; D215-A218 VanDerWaalsContact OD2-CB 3.24Å; D215-A218 WeakPolarHBondContact OD2-CB 3.36Å; D215-Y219 PolarHBondContact O-N 2.77Å
216E94.9Very high96Very high110 Ų11081.3 Ų81.351%0.51438%0.38SS..Hα-helixtrans-60.9-30.9-177.9-159.9-163.2164.300112.4L211 Y219 K220L211-E216 PolarHBondContact O-N 2.9Å; E216-Y219 WeakPolarHBondContact O-CB 3.5Å; E216-Y219 PolarHBondContact O-N 2.91Å; E216-K220 WeakPolarHBondContact O-CG 3.32Å; E216-K220 PolarHBondContact O-N 3.09Å; E216-K220 WeakPolarHBondContact OE1-CE 3.46Å; E216-K220 IonicContact OE1-NZ 3.3Å; E216-K220 PolarHBondContact OE1-NZ 3.16Å; E216-K220 IonicContact OE2-NZ 2.71Å; E216-K220 PolarHBondContact OE2-NZ 3.45Å
217D96.1Very high96Very high121 Ų12181.6 Ų81.665%0.64738%0.381SS*.Hα-helixtrans-70.5-42.6178.2-79-23.7000111.3D215 Y219 K220 K221D215-D217 PolarHBondContact O-N 3.02Å; D215-D217 PolarHBondContact OD1-N 3.36Å; D217-Y219 VanDerWaalsContact C-N 3.32Å; D217-K220 PolarHBondContact O-N 3.42Å; D217-K221 WeakPolarHBondContact O-CB 3.27Å; D217-K221 PolarHBondContact O-N 3.38Å
218A96.4Very high95.9Very high13 Ų1384.5 Ų84.511%0.10740%0.395CS..Hα-helixtrans-62.1-40.217100000111.6L211 D215 K221 Q222L211-A218 HydrophobicContact CD2-CB 4.14Å; D215-A218 HydrophobicContact CB-CB 3.96Å; D215-A218 PolarHBondContact O-N 3.13Å; D215-A218 WeakPolarHBondContact OD1-CB 3.38Å; D215-A218 PolarHBondContact OD1-N 3.5Å; D215-A218 VanDerWaalsContact OD2-CB 3.24Å; D215-A218 WeakPolarHBondContact OD2-CB 3.36Å; A218-K221 PolarHBondContact O-N 3.45Å; A218-Q222 WeakPolarHBondContact O-CB 3.38Å; A218-Q222 VanDerWaalsContact O-CG 3.3Å; A218-Q222 WeakPolarHBondContact O-CG 3.5Å; A218-Q222 PolarHBondContact O-N 3.08Å
219Y95.9Very high95.9Very high25 Ų2587.2 Ų87.210%0.09841%0.41CS..Hα-helixtrans-58.6-54.1174.5175.7-105.7000111.6M208 L211 M212 D215 E216 D217 K221 Q222 F223 I227M208-Y219 HydrophobicContact CB-CE2 4.02Å; M208-Y219 HydrophobicContact CE-CE2 3.87Å; M208-Y219 HydrophobicContact CG-CE2 4.17Å; L211-Y219 HydrophobicContact CB-CD2 4.47Å; M212-Y219 HydrophobicContact CG-CD1 3.87Å; M212-Y219 HydrophobicContact CG-CD2 3.61Å; M212-Y219 HydrophobicContact CG-CE1 3.84Å; M212-Y219 HydrophobicContact CG-CE2 3.61Å; M212-Y219 HydrophobicContact CG-CG 3.75Å; M212-Y219 HydrophobicContact SD-CD2 4.49Å; M212-Y219 HydrophobicContact SD-CE1 4.27Å; M212-Y219 HydrophobicContact SD-CE2 3.9Å; D215-Y219 PolarHBondContact O-N 2.77Å; E216-Y219 WeakPolarHBondContact O-CB 3.5Å; E216-Y219 PolarHBondContact O-N 2.91Å; D217-Y219 VanDerWaalsContact C-N 3.32Å; Y219-K221 VanDerWaalsContact C-N 3.25Å; Y219-K221 PolarHBondContact O-N 3.29Å; Y219-Q222 PolarHBondContact O-N 2.91Å; Y219-F223 HydrophobicContact CD2-CB 4.2Å; Y219-F223 AromaticContact CD2-CD2 3.49Å; Y219-F223 HydrophobicContact CD2-CD2 3.49Å; Y219-F223 VanDerWaalsContact CD2-CD2 3.49Å; Y219-F223 HydrophobicContact CD2-CE2 4.22Å; Y219-F223 HydrophobicContact CD2-CG 4.19Å; Y219-F223 HydrophobicContact CE2-CB 3.96Å; Y219-F223 AromaticContact CE2-CD2 3.83Å; Y219-F223 HydrophobicContact CE2-CD2 3.83Å; Y219-F223 HydrophobicContact CE2-CG 4.11Å; Y219-F223 HydrophobicContact CG-CD2 4.42Å; Y219-F223 WeakPolarHBondContact O-CB 3.2Å; Y219-F223 PolarHBondContact O-N 2.96Å; Y219-I227 HydrophobicContact CD1-CD1 4.2Å; Y219-I227 HydrophobicContact CE1-CD1 3.79Å; Y219-I227 HydrophobicContact CE1-CG1 4.06Å
220K95.6Very high95.8Very high90 Ų9086.9 Ų86.939%0.39142%0.423SS..Hα-helixtrans-55.6-40.3178.1-75.1168-176.61570111.9E216 D217 S224 I227E216-K220 WeakPolarHBondContact O-CG 3.32Å; E216-K220 PolarHBondContact O-N 3.09Å; E216-K220 WeakPolarHBondContact OE1-CE 3.46Å; E216-K220 IonicContact OE1-NZ 3.3Å; E216-K220 PolarHBondContact OE1-NZ 3.16Å; E216-K220 IonicContact OE2-NZ 2.71Å; E216-K220 PolarHBondContact OE2-NZ 3.45Å; D217-K220 PolarHBondContact O-N 3.42Å; K220-S224 VanDerWaalsContact O-CA 3.31Å; K220-S224 WeakPolarHBondContact O-CA 3.45Å; K220-S224 VanDerWaalsContact O-CB 3.25Å; K220-S224 WeakPolarHBondContact O-CB 3.36Å; K220-S224 PolarHBondContact O-N 2.8Å; K220-I227 HydrophobicContact CG-CD1 4.41Å
221K96.5Very high95.7Very high172 Ų17281.5 Ų81.575%0.74840%0.404SS*.Hα-helixtrans-70.4-54.6179.6-175.6178.5-179.6178.60112.5D217 A218 Y219 S224D217-K221 WeakPolarHBondContact O-CB 3.27Å; D217-K221 PolarHBondContact O-N 3.38Å; A218-K221 PolarHBondContact O-N 3.45Å; Y219-K221 VanDerWaalsContact C-N 3.25Å; Y219-K221 PolarHBondContact O-N 3.29Å; K221-S224 PolarHBondContact O-OG 3.13Å
222Q95.6Very high95.5Very high100 Ų10083.6 Ų83.647%0.46742%0.417SS..Hα-helixtrans-71.3-40.5-172.9-66.4-178.839.500111.8Y207 A218 Y219Y207-Q222 VanDerWaalsContact CE1-OE1 3.28Å; Y207-Q222 PolarHBondContact OH-NE2 3.16Å; Y207-Q222 PolarHBondContact OH-OE1 3.26Å; A218-Q222 WeakPolarHBondContact O-CB 3.38Å; A218-Q222 VanDerWaalsContact O-CG 3.3Å; A218-Q222 WeakPolarHBondContact O-CG 3.5Å; A218-Q222 PolarHBondContact O-N 3.08Å; Y219-Q222 PolarHBondContact O-N 2.91Å
223F96.2Very high95.6Very high13 Ų1379.6 Ų79.66%0.05740%0.398CS..THydrogen-bonded Turntrans-105.218-174.8-60.4-74.7000113.3V204 Y207 M208 L211 Y219 Q225 Y226 I227V204-F223 HydrophobicContact CG1-CE1 3.93Å; V204-F223 HydrophobicContact CG1-CZ 4.5Å; Y207-F223 HydrophobicContact CD1-CE2 4.16Å; Y207-F223 AromaticContact CD1-CZ 3.74Å; Y207-F223 HydrophobicContact CD1-CZ 3.74Å; Y207-F223 HydrophobicContact CE1-CE2 4.26Å; Y207-F223 HydrophobicContact CE1-CZ 4.11Å; M208-F223 HydrophobicContact CB-CE2 4.37Å; M208-F223 HydrophobicContact CB-CZ 4.41Å; M208-F223 HydrophobicContact CE-CD1 4.41Å; M208-F223 HydrophobicContact CE-CG 4.48Å; M208-F223 HydrophobicContact CG-CD1 3.68Å; M208-F223 HydrophobicContact CG-CD2 3.9Å; M208-F223 HydrophobicContact CG-CE1 3.41Å; M208-F223 VanDerWaalsContact CG-CE1 3.41Å; M208-F223 HydrophobicContact CG-CE2 3.61Å; M208-F223 HydrophobicContact CG-CG 3.91Å; M208-F223 HydrophobicContact CG-CZ 3.35Å; M208-F223 HydrophobicContact SD-CD1 4.01Å; M208-F223 HydrophobicContact SD-CE1 4.04Å; L211-F223 HydrophobicContact CD1-CD2 4.48Å; L211-F223 HydrophobicContact CD1-CE2 3.78Å; Y219-F223 HydrophobicContact CD2-CB 4.2Å; Y219-F223 AromaticContact CD2-CD2 3.49Å; Y219-F223 HydrophobicContact CD2-CD2 3.49Å; Y219-F223 VanDerWaalsContact CD2-CD2 3.49Å; Y219-F223 HydrophobicContact CD2-CE2 4.22Å; Y219-F223 HydrophobicContact CD2-CG 4.19Å; Y219-F223 HydrophobicContact CE2-CB 3.96Å; Y219-F223 AromaticContact CE2-CD2 3.83Å; Y219-F223 HydrophobicContact CE2-CD2 3.83Å; Y219-F223 HydrophobicContact CE2-CG 4.11Å; Y219-F223 HydrophobicContact CG-CD2 4.42Å; Y219-F223 WeakPolarHBondContact O-CB 3.2Å; Y219-F223 PolarHBondContact O-N 2.96Å; F223-Q225 PolarHBondContact O-N 3.17Å; F223-Y226 HydrophobicContact CB-CD2 4.16Å; F223-Y226 HydrophobicContact CB-CG 4.4Å; F223-Y226 AromaticContact CD1-CD2 3.63Å; F223-Y226 HydrophobicContact CD1-CD2 3.63Å; F223-Y226 AromaticContact CD1-CE2 3.77Å; F223-Y226 HydrophobicContact CD1-CE2 3.77Å; F223-Y226 HydrophobicContact CD1-CG 4.11Å; F223-Y226 HydrophobicContact CE1-CE2 4.34Å; F223-Y226 HydrophobicContact CG-CD2 4.39Å; F223-Y226 WeakPolarHBondContact O-CA 3.33Å; F223-Y226 WeakPolarHBondContact O-CB 3.4Å; F223-Y226 PolarHBondContact O-N 3.42Å; F223-I227 PolarHBondContact O-N 3.18Å
224S96.3Very high95.6Very high56 Ų5677.5 Ų77.539%0.39239%0.392SS..Hα-helixtrans-46.5-39.4176.552.80000114.2K220 K221 K228K220-S224 VanDerWaalsContact O-CA 3.31Å; K220-S224 WeakPolarHBondContact O-CA 3.45Å; K220-S224 VanDerWaalsContact O-CB 3.25Å; K220-S224 WeakPolarHBondContact O-CB 3.36Å; K220-S224 PolarHBondContact O-N 2.8Å; K221-S224 PolarHBondContact O-OG 3.13Å; S224-K228 WeakPolarHBondContact O-CB 3.28Å; S224-K228 PolarHBondContact O-N 3.3Å
225Q95.8Very high95.5Very high109 Ų10975.7 Ų75.751%0.50939%0.385SS..Hα-helixtrans-72.9-31.9176.7-64.4-59.7-39.900113.2V90 F223 N229V90-Q225 HydrophobicContact CG1-CB 4.14Å; F223-Q225 PolarHBondContact O-N 3.17Å; Q225-N229 WeakPolarHBondContact O-CB 3.49Å; Q225-N229 PolarHBondContact O-N 2.97Å; Q225-N229 VanDerWaalsContact O-N 3.09Å; Q225-N229 PolarHBondContact O-ND2 2.99Å
226Y96.3Very high95.4Very high20 Ų2072.2 Ų72.28%0.07837%0.366CS..Hα-helixtrans-67.6-45.3174.9-70.8-107.5000110V90 G91 M208 F223 K228 N229 S230 V231 M236V90-Y226 HydrophobicContact CB-CD1 4.28Å; V90-Y226 HydrophobicContact CB-CD2 4.21Å; V90-Y226 HydrophobicContact CB-CE1 4.16Å; V90-Y226 HydrophobicContact CB-CE2 4.11Å; V90-Y226 HydrophobicContact CB-CG 4.3Å; V90-Y226 HydrophobicContact CG2-CD1 3.46Å; V90-Y226 VanDerWaalsContact CG2-CD1 3.46Å; V90-Y226 HydrophobicContact CG2-CD2 4.26Å; V90-Y226 HydrophobicContact CG2-CE1 3.38Å; V90-Y226 HydrophobicContact CG2-CE2 4.23Å; V90-Y226 HydrophobicContact CG2-CG 3.91Å; G91-Y226 WeakPolarHBondContact CA-OH 3.42Å; M208-Y226 HydrophobicContact CE-CD1 4.2Å; M208-Y226 HydrophobicContact CE-CG 4.37Å; M208-Y226 HydrophobicContact SD-CD1 4.16Å; M208-Y226 HydrophobicContact SD-CE1 4.44Å; F223-Y226 HydrophobicContact CB-CD2 4.16Å; F223-Y226 HydrophobicContact CB-CG 4.4Å; F223-Y226 AromaticContact CD1-CD2 3.63Å; F223-Y226 HydrophobicContact CD1-CD2 3.63Å; F223-Y226 AromaticContact CD1-CE2 3.77Å; F223-Y226 HydrophobicContact CD1-CE2 3.77Å; F223-Y226 HydrophobicContact CD1-CG 4.11Å; F223-Y226 HydrophobicContact CE1-CE2 4.34Å; F223-Y226 HydrophobicContact CG-CD2 4.39Å; F223-Y226 WeakPolarHBondContact O-CA 3.33Å; F223-Y226 WeakPolarHBondContact O-CB 3.4Å; F223-Y226 PolarHBondContact O-N 3.42Å; Y226-K228 VanDerWaalsContact C-N 3.34Å; Y226-K228 PolarHBondContact O-N 2.76Å; Y226-N229 CarbonylContact O-C 3.44Å; Y226-N229 PolarHBondContact O-N 2.78Å; Y226-N229 VanDerWaalsContact O-N 3.12Å; Y226-S230 PolarHBondContact O-N 3.09Å; Y226-V231 HydrophobicContact CD1-CB 4.03Å; Y226-V231 HydrophobicContact CD1-CG1 3.88Å; Y226-V231 HydrophobicContact CE1-CG1 4.46Å; Y226-V231 PolarHBondContact O-N 3.25Å; Y226-M236 HydrophobicContact CD1-SD 4.3Å; Y226-M236 HydrophobicContact CE1-CE 3.92Å; Y226-M236 HydrophobicContact CE1-SD 3.81Å
227I95.2Very high95.4Very high81 Ų8169.7 Ų69.742%0.41535%0.354SS..Hα-helixtrans-57.3-48.4174.2-60.5169.6000110.2Y219 K220 F223 N229 S230Y219-I227 HydrophobicContact CD1-CD1 4.2Å; Y219-I227 HydrophobicContact CE1-CD1 3.79Å; Y219-I227 HydrophobicContact CE1-CG1 4.06Å; K220-I227 HydrophobicContact CG-CD1 4.41Å; F223-I227 PolarHBondContact O-N 3.18Å; I227-N229 PolarHBondContact O-N 3.09Å; I227-S230 PolarHBondContact O-N 3.12Å; I227-S230 VanDerWaalsContact O-N 3.09Å
228K96.4Very high95.4Very high164 Ų16469 Ų6971%0.71335%0.347SS*.Hα-helixtrans-61.6-29.6178.6-175.8174.5175.21750113.8S224 Y226S224-K228 WeakPolarHBondContact O-CB 3.28Å; S224-K228 PolarHBondContact O-N 3.3Å; Y226-K228 VanDerWaalsContact C-N 3.34Å; Y226-K228 PolarHBondContact O-N 2.76Å
229N95.2Very high95.4Very high56 Ų5669.5 Ų69.530%0.29935%0.347SS..THydrogen-bonded Turntrans-98.38178.8-72.9-84000113V90 Q225 Y226 I227 V231V90-N229 HydrophobicContact CG1-CB 4.04Å; V90-N229 WeakPolarHBondContact CG1-ND2 3.35Å; Q225-N229 WeakPolarHBondContact O-CB 3.49Å; Q225-N229 PolarHBondContact O-N 2.97Å; Q225-N229 VanDerWaalsContact O-N 3.09Å; Q225-N229 PolarHBondContact O-ND2 2.99Å; Y226-N229 CarbonylContact O-C 3.44Å; Y226-N229 PolarHBondContact O-N 2.78Å; Y226-N229 VanDerWaalsContact O-N 3.12Å; I227-N229 PolarHBondContact O-N 3.09Å; N229-V231 VanDerWaalsContact C-N 3.26Å; N229-V231 HydrophobicContact CB-CG2 4.14Å; N229-V231 PolarHBondContact O-N 3.43Å
230S94.1Very high95.4Very high96 Ų9668.3 Ų68.367%0.67134%0.343SS*.THydrogen-bonded Turntrans54.537.1-178.2-510000114Y226 I227Y226-S230 PolarHBondContact O-N 3.09Å; I227-S230 PolarHBondContact O-N 3.12Å; I227-S230 VanDerWaalsContact O-N 3.09Å
231V94.7Very high95.5Very high16 Ų1670.8 Ų70.810%0.09735%0.354CS..  trans-95.7110.6176.6-178.60000108.9V90 Y226 N229 M236 M239V90-V231 HydrophobicContact CG2-CB 4.32Å; V90-V231 HydrophobicContact CG2-CG1 4.41Å; V90-V231 HydrophobicContact CG2-CG2 4.02Å; Y226-V231 HydrophobicContact CD1-CB 4.03Å; Y226-V231 HydrophobicContact CD1-CG1 3.88Å; Y226-V231 HydrophobicContact CE1-CG1 4.46Å; Y226-V231 PolarHBondContact O-N 3.25Å; N229-V231 VanDerWaalsContact C-N 3.26Å; N229-V231 HydrophobicContact CB-CG2 4.14Å; N229-V231 PolarHBondContact O-N 3.43Å; V231-M236 HydrophobicContact CG1-SD 3.75Å; V231-M239 HydrophobicContact CG1-CE 4.36Å; V231-M239 HydrophobicContact CG1-SD 4.36Å
232T94.4Very high95.5Very high53 Ų5368.6 Ų68.633%0.32534%0.344SS..  trans-92.4162.7176.165.20000111.3D234 M235T232-D234 PolarHBondContact O-N 3.06Å; T232-M235 PolarHBondContact O-N 3.29Å; T232-M235 VanDerWaalsContact O-N 3.16Å; T232-M235 WeakPolarHBondContact OG1-CG 3.47Å
233P94.8Very high95.6Very high10 Ų1063.8 Ų63.87%0.06532%0.322CS..G310 helixtrans-53.4-40.5177.2-27.235.9000113.2A205 M208 R209 M212 M235 M236A205-P233 HydrophobicContact CB-CB 3.93Å; A205-P233 WeakPolarHBondContact CB-O 3.4Å; M208-P233 HydrophobicContact CB-CB 4.4Å; M208-P233 HydrophobicContact CB-CG 3.72Å; M208-P233 HydrophobicContact CE-CG 4.05Å; M208-P233 HydrophobicContact SD-CG 4.4Å; R209-P233 HydrophobicContact CG-CB 3.9Å; R209-P233 HydrophobicContact CG-CG 4.11Å; M212-P233 HydrophobicContact SD-CG 4.09Å; P233-M235 VanDerWaalsContact C-N 3.29Å; P233-M235 PolarHBondContact O-N 3.49Å; P233-M236 WeakPolarHBondContact O-CB 3.43Å; P233-M236 WeakPolarHBondContact O-CG 3.43Å; P233-M236 PolarHBondContact O-N 3.4Å
234D95Very high95.6Very high115 Ų11563.6 Ų63.662%0.61532%0.321SS*.G310 helixtrans-70.1-26.4-176.5-52.8-43.1000112.9R209 T232 M236R209-D234 IonicContact CZ-OD1 2.81Å; R209-D234 IonicContact NE-OD1 3.84Å; R209-D234 IonicContact NH2-OD1 3.55Å; R209-D234 PolarHBondContact NH2-OD1 3.2Å; T232-D234 PolarHBondContact O-N 3.06Å; D234-M236 VanDerWaalsContact C-N 3.31Å; D234-M236 PolarHBondContact O-N 2.95Å
235M94.8Very high95.7Very high95 Ų9563.2 Ų63.247%0.46832%0.321SS..G310 helixtrans-80.1-10.3178.6-67176.9-175.600113.4T232 P233 E238 M239T232-M235 PolarHBondContact O-N 3.29Å; T232-M235 VanDerWaalsContact O-N 3.16Å; T232-M235 WeakPolarHBondContact OG1-CG 3.47Å; P233-M235 VanDerWaalsContact C-N 3.29Å; P233-M235 PolarHBondContact O-N 3.49Å; M235-E238 PolarHBondContact O-N 3.32Å; M235-M239 WeakPolarHBondContact O-CB 3.48Å; M235-M239 PolarHBondContact O-N 3.14Å
236M93.4Very high95.7Very high1 Ų159.3 Ų59.31%0.00531%0.308CS..Hα-helixtrans-62.6-48.5-171.3-72.9-71-8000112.7V204 A205 Y226 V231 P233 D234 E238 M239 Y240V204-M236 HydrophobicContact CB-CE 3.88Å; V204-M236 HydrophobicContact CG1-CE 3.84Å; A205-M236 HydrophobicContact CB-CB 4.21Å; A205-M236 HydrophobicContact CB-CG 4.11Å; Y226-M236 HydrophobicContact CD1-SD 4.3Å; Y226-M236 HydrophobicContact CE1-CE 3.92Å; Y226-M236 HydrophobicContact CE1-SD 3.81Å; V231-M236 HydrophobicContact CG1-SD 3.75Å; P233-M236 WeakPolarHBondContact O-CB 3.43Å; P233-M236 WeakPolarHBondContact O-CG 3.43Å; P233-M236 PolarHBondContact O-N 3.4Å; D234-M236 VanDerWaalsContact C-N 3.31Å; D234-M236 PolarHBondContact O-N 2.95Å; M236-E238 PolarHBondContact O-N 3Å; M236-M239 PolarHBondContact O-N 3.07Å; M236-M239 HydrophobicContact SD-CE 3.7Å; M236-Y240 HydrophobicContact CE-CE2 3.89Å; M236-Y240 WeakPolarHBondContact O-CD2 3.36Å; M236-Y240 PolarHBondContact O-N 3.25Å; M236-Y240 VanDerWaalsContact O-N 3.14Å
237E94.5Very high95.8Very high58 Ų5858.4 Ų58.427%0.27130%0.304SS..Hα-helixtrans-64.4-43.1-178.9176.6163.6-166.800111.4R196 M200 Q202 M239 Y240 K241R196-E237 IonicContact CZ-OE1 3.34Å; R196-E237 IonicContact NH1-OE1 2.76Å; R196-E237 PolarHBondContact NH1-OE1 2.86Å; R196-E237 IonicContact NH2-OE1 3.33Å; R196-E237 PolarHBondContact NH2-OE1 3.33Å; M200-E237 HydrophobicContact CB-CB 4.37Å; M200-E237 HydrophobicContact CB-CG 4.03Å; M200-E237 HydrophobicContact CG-CG 4.25Å; Q202-E237 PolarHBondContact NE2-OE2 3.38Å; E237-M239 PolarHBondContact O-N 2.92Å; E237-Y240 PolarHBondContact O-N 2.9Å; E237-K241 WeakPolarHBondContact O-CB 3.44Å; E237-K241 PolarHBondContact O-N 3.46Å
238E95.5Very high95.8Very high105 Ų10557.2 Ų57.249%0.49129%0.294SS..Hα-helixtrans-64.4-41.5178.3-167.1-173.5179.700111.7M235 M236 Y240 K241 K242M235-E238 PolarHBondContact O-N 3.32Å; M236-E238 PolarHBondContact O-N 3Å; E238-Y240 PolarHBondContact O-N 3.18Å; E238-K241 PolarHBondContact O-N 3.32Å; E238-K242 VanDerWaalsContact CD-NZ 3.35Å; E238-K242 HydrophobicContact CG-CD 4.25Å; E238-K242 WeakPolarHBondContact O-CB 3.41Å; E238-K242 WeakPolarHBondContact O-CG 3.47Å; E238-K242 PolarHBondContact O-N 3.11Å; E238-K242 WeakPolarHBondContact OE1-CE 3.47Å; E238-K242 IonicContact OE1-NZ 3.51Å; E238-K242 PolarHBondContact OE1-NZ 3.43Å
239M96.8Very high95.7Very high24 Ų2457 Ų5712%0.11830%0.296CS..Hα-helixtrans-57.9-48.3176.3179-175.959.800111.4V231 M235 M236 E237 A243V231-M239 HydrophobicContact CG1-CE 4.36Å; V231-M239 HydrophobicContact CG1-SD 4.36Å; M235-M239 WeakPolarHBondContact O-CB 3.48Å; M235-M239 PolarHBondContact O-N 3.14Å; M236-M239 PolarHBondContact O-N 3.07Å; M236-M239 HydrophobicContact SD-CE 3.7Å; E237-M239 PolarHBondContact O-N 2.92Å; M239-A243 WeakPolarHBondContact O-CB 3.22Å; M239-A243 PolarHBondContact O-N 3.39Å
240Y97.3Very high95.7Very high0 Ų058 Ų580%030%0.301CS..Hα-helixtrans-70-38.5179.1-73.7-63.5000112.5V88 N94 A96 M200 M236 E237 E238 K242 A243 H244V88-Y240 HydrophobicContact CG1-CE1 3.71Å; V88-Y240 HydrophobicContact CG2-CD1 3.97Å; V88-Y240 HydrophobicContact CG2-CE1 3.94Å; N94-Y240 PolarHBondContact ND2-OH 3.5Å; N94-Y240 PolarHBondContact OD1-OH 3.2Å; A96-Y240 HydrophobicContact CB-CD1 3.88Å; A96-Y240 HydrophobicContact CB-CD2 3.97Å; A96-Y240 HydrophobicContact CB-CE1 3.5Å; A96-Y240 VanDerWaalsContact CB-CE1 3.5Å; A96-Y240 HydrophobicContact CB-CE2 3.6Å; A96-Y240 HydrophobicContact CB-CG 4.11Å; M200-Y240 WeakPolarHBondContact O-CD2 3.48Å; M236-Y240 HydrophobicContact CE-CE2 3.89Å; M236-Y240 WeakPolarHBondContact O-CD2 3.36Å; M236-Y240 PolarHBondContact O-N 3.25Å; M236-Y240 VanDerWaalsContact O-N 3.14Å; E237-Y240 PolarHBondContact O-N 2.9Å; E238-Y240 PolarHBondContact O-N 3.18Å; Y240-K242 PolarHBondContact O-N 3.15Å; Y240-A243 WeakPolarHBondContact O-CB 3.3Å; Y240-A243 PolarHBondContact O-N 3.48Å; Y240-H244 PolarHBondContact O-CD2 3.42Å; Y240-H244 VanDerWaalsContact O-CD2 3.22Å; Y240-H244 PolarHBondContact O-N 3.06Å; Y240-H244 PolarHBondContact O-ND1 2.77Å
241K96.5Very high95.6Very high143 Ų14353.9 Ų53.962%0.62227%0.272SS*.Hα-helixtrans-59.7-46.5174.8-168.7178.4-177.2179.80111.6E237 E238 A243 H244 A245E237-K241 WeakPolarHBondContact O-CB 3.44Å; E237-K241 PolarHBondContact O-N 3.46Å; E238-K241 PolarHBondContact O-N 3.32Å; K241-A243 VanDerWaalsContact C-N 3.34Å; K241-A243 PolarHBondContact O-N 3.18Å; K241-H244 PolarHBondContact O-N 3.04Å; K241-A245 PolarHBondContact O-N 3Å
242K96.5Very high95.4Very high125 Ų12556.7 Ų56.754%0.54329%0.289SS..Hα-helixtrans-61.6-41.2174.2-74.4177.5-178.9168.60111.8E238 Y240 H244 A245 A246E238-K242 VanDerWaalsContact CD-NZ 3.35Å; E238-K242 HydrophobicContact CG-CD 4.25Å; E238-K242 WeakPolarHBondContact O-CB 3.41Å; E238-K242 WeakPolarHBondContact O-CG 3.47Å; E238-K242 PolarHBondContact O-N 3.11Å; E238-K242 WeakPolarHBondContact OE1-CE 3.47Å; E238-K242 IonicContact OE1-NZ 3.51Å; E238-K242 PolarHBondContact OE1-NZ 3.43Å; Y240-K242 PolarHBondContact O-N 3.15Å; K242-H244 VanDerWaalsContact C-N 3.34Å; K242-H244 PolarHBondContact O-N 3.01Å; K242-A245 PolarHBondContact O-N 2.98Å; K242-A246 WeakPolarHBondContact O-CB 3.43Å; K242-A246 PolarHBondContact O-N 3.38Å
243A97.3Very high95.2Very high0 Ų060 Ų600%030%0.296CS..Hα-helixtrans-62.2-40.1176.600000112.5Y86 V88 M239 Y240 K241 A245 A246 I247Y86-A243 VanDerWaalsContact O-CA 3.25Å; Y86-A243 WeakPolarHBondContact O-CA 3.31Å; Y86-A243 VanDerWaalsContact O-CB 3.28Å; Y86-A243 WeakPolarHBondContact O-CB 3.41Å; V88-A243 HydrophobicContact CG2-CB 3.48Å; V88-A243 VanDerWaalsContact CG2-CB 3.48Å; M239-A243 WeakPolarHBondContact O-CB 3.22Å; M239-A243 PolarHBondContact O-N 3.39Å; Y240-A243 WeakPolarHBondContact O-CB 3.3Å; Y240-A243 PolarHBondContact O-N 3.48Å; K241-A243 VanDerWaalsContact C-N 3.34Å; K241-A243 PolarHBondContact O-N 3.18Å; A243-A245 VanDerWaalsContact C-N 3.33Å; A243-A245 PolarHBondContact O-N 3.21Å; A243-A246 PolarHBondContact O-N 3.01Å; A243-I247 WeakPolarHBondContact O-CB 3.29Å; A243-I247 WeakPolarHBondContact O-CD1 3.49Å; A243-I247 WeakPolarHBondContact O-CG1 3.24Å; A243-I247 PolarHBondContact O-N 2.89Å
244H97.5Very high94.7Very high9 Ų965 Ų654%0.04232%0.319CS..Hα-helixtrans-63.7-38.1177.3-60.7161.8000112.7Y99 C100 L103 Y240 K241 K242 R248Y99-H244 AromaticContact CD1-CE1 3.82Å; Y99-H244 AromaticContact CD1-NE2 3.39Å; Y99-H244 WeakPolarHBondContact CD1-NE2 3.39Å; Y99-H244 AromaticContact CE1-CD2 3.94Å; Y99-H244 AromaticContact CE1-CE1 3.55Å; Y99-H244 AromaticContact CE1-NE2 3.44Å; Y99-H244 WeakPolarHBondContact CE1-NE2 3.37Å; C100-H244 PolarHBondContact SG-NE2 3.07Å; C100-H244 VanDerWaalsContact SG-NE2 3.36Å; L103-H244 HydrophobicContact CD2-CB 4.06Å; Y240-H244 PolarHBondContact O-CD2 3.42Å; Y240-H244 VanDerWaalsContact O-CD2 3.22Å; Y240-H244 PolarHBondContact O-N 3.06Å; Y240-H244 PolarHBondContact O-ND1 2.77Å; K241-H244 PolarHBondContact O-N 3.04Å; K242-H244 VanDerWaalsContact C-N 3.34Å; K242-H244 PolarHBondContact O-N 3.01Å; H244-R248 WeakPolarHBondContact O-CG 3.45Å; H244-R248 PolarHBondContact O-N 2.9Å; H244-R248 PolarHBondContact O-NH1 3.37Å
245A96.9Very high94.3Very high47 Ų4768.2 Ų68.239%0.38833%0.327SS..Hα-helixtrans-67.8-51.5174.200000111.1K241 K242 A243 I247 R248 E249K241-A245 PolarHBondContact O-N 3Å; K242-A245 PolarHBondContact O-N 2.98Å; A243-A245 VanDerWaalsContact C-N 3.33Å; A243-A245 PolarHBondContact O-N 3.21Å; A245-I247 VanDerWaalsContact C-N 3.28Å; A245-I247 PolarHBondContact O-N 3.45Å; A245-R248 WeakPolarHBondContact O-CA 3.35Å; A245-R248 WeakPolarHBondContact O-CB 2.96Å; A245-R248 PolarHBondContact O-N 3.36Å; A245-E249 PolarHBondContact O-N 3.25Å
246A97.2Very high94Very high28 Ų2871.5 Ų71.523%0.23134%0.339CS..Hα-helixtrans-60-35.6-179.700000113.1Y86 K242 A243 E249 N250Y86-A246 HydrophobicContact CD1-CB 3.95Å; K242-A246 WeakPolarHBondContact O-CB 3.43Å; K242-A246 PolarHBondContact O-N 3.38Å; A243-A246 PolarHBondContact O-N 3.01Å; A246-E249 PolarHBondContact O-N 2.72Å; A246-N250 PolarHBondContact O-N 3.22Å; A246-N250 VanDerWaalsContact O-N 3.07Å
247I97.2Very high93.8Very high0 Ų076.8 Ų76.80%037%0.373CS..Hα-helixtrans-64.9-38.9174.4-73.1165.7000111.5L83 Y86 C100 L103 L104 A243 A245L83-I247 HydrophobicContact CD2-CD1 4.16Å; Y86-I247 HydrophobicContact CD1-CB 4.45Å; Y86-I247 HydrophobicContact CD1-CG1 3.74Å; Y86-I247 HydrophobicContact CD2-CG1 3.86Å; Y86-I247 HydrophobicContact CE1-CG1 4.13Å; Y86-I247 HydrophobicContact CE2-CG1 4.25Å; Y86-I247 HydrophobicContact CG-CD1 4.47Å; Y86-I247 HydrophobicContact CG-CG1 3.58Å; C100-I247 HydrophobicContact CB-CD1 4Å; L103-I247 HydrophobicContact CD2-CB 4.38Å; L103-I247 HydrophobicContact CD2-CD1 4.41Å; L103-I247 HydrophobicContact CD2-CG2 4.14Å; L103-I247 HydrophobicContact CG-CG2 3.89Å; L104-I247 HydrophobicContact CB-CD1 4.4Å; L104-I247 HydrophobicContact CB-CG2 3.98Å; L104-I247 HydrophobicContact CD1-CG2 3.99Å; A243-I247 WeakPolarHBondContact O-CB 3.29Å; A243-I247 WeakPolarHBondContact O-CD1 3.49Å; A243-I247 WeakPolarHBondContact O-CG1 3.24Å; A243-I247 PolarHBondContact O-N 2.89Å; A245-I247 VanDerWaalsContact C-N 3.28Å; A245-I247 PolarHBondContact O-N 3.45Å
248R95.6Very high93.5Very high56 Ų5684 Ų8421%0.21140%0.404CS..Hα-helixtrans-69.3-40.7177.6-76.7-179.316969.4-0.3111.5R107 Q122 D168 H244 A245R107-R248 HydrophobicContact CG-CG 4.39Å; Q122-R248 PolarHBondContact O-NH2 3.15Å; D168-R248 PolarHBondContact O-NH2 3.01Å; H244-R248 WeakPolarHBondContact O-CG 3.45Å; H244-R248 PolarHBondContact O-N 2.9Å; H244-R248 PolarHBondContact O-NH1 3.37Å; A245-R248 WeakPolarHBondContact O-CA 3.35Å; A245-R248 WeakPolarHBondContact O-CB 2.96Å; A245-R248 PolarHBondContact O-N 3.36Å
249E95.3Very high93.2Very high161 Ų16187.7 Ų87.775%0.75242%0.418SS*.Hα-helixtrans-64-45178.4-70.8171.9-17300112.5A245 A246A245-E249 PolarHBondContact O-N 3.25Å; A246-E249 PolarHBondContact O-N 2.72Å
250N93.6Very high92.7Very high77 Ų7796.1 Ų96.141%0.41246%0.457SS..  trans-138.584-178.5-1722000113.4Y86 A246 V252Y86-N250 WeakPolarHBondContact CE1-O 3.33Å; Y86-N250 PolarHBondContact OH-O 3.18Å; A246-N250 PolarHBondContact O-N 3.22Å; A246-N250 VanDerWaalsContact O-N 3.07Å; N250-V252 VanDerWaalsContact C-N 3.25Å; N250-V252 PolarHBondContact O-N 2.84Å; N250-V252 WeakPolarHBondContact OD1-CB 3.25Å; N250-V252 PolarHBondContact OD1-N 2.77Å
251P92.8Very high92.2Very high8 Ų8101.2 Ų101.25%0.05249%0.489CS..  trans-82.40.5177.833.7-36.3000113.7L104 R107 R108 N111L104-P251 HydrophobicContact CD1-CB 4.49Å; R107-P251 HydrophobicContact CB-CB 3.65Å; R107-P251 HydrophobicContact CB-CG 4.16Å; R108-P251 HydrophobicContact CB-CB 4.29Å; R108-P251 WeakPolarHBondContact CB-O 3.44Å; R108-P251 WeakPolarHBondContact CG-O 3.36Å; R108-P251 PolarHBondContact NE-O 3.05Å; N111-P251 HydrophobicContact CB-CG 4.09Å
252V90.5Very high91.7Very high76 Ų76104 Ų10446%0.46150%0.5SS..  trans-67.1137.4-166.6-178.40000111.6N250 E254N250-V252 VanDerWaalsContact C-N 3.25Å; N250-V252 PolarHBondContact O-N 2.84Å; N250-V252 WeakPolarHBondContact OD1-CB 3.25Å; N250-V252 PolarHBondContact OD1-N 2.77Å; V252-E254 PolarHBondContact O-N 3.35Å
253Y89.6Confident91.2Very high121 Ų121107.8 Ų107.848%0.47552%0.517SS..  trans-83.8114.6174.7179.3-105.7000111.5K255Y253-K255 HydrophobicContact CD1-CG 4.16Å; Y253-K255 HydrophobicContact CE1-CG 3.88Å
254E85.5Confident90.7Very high116 Ų116115.4 Ų115.454%0.54255%0.55SS.*PPolyproline II helixtrans-83.7117.8172.6-65.4172.9165.900111.2K85 V252 K256K85-E254 IonicContact NZ-OE2 3.66Å; K85-E254 PolarHBondContact NZ-OE2 3.46Å; V252-E254 PolarHBondContact O-N 3.35Å; E254-K256 PolarHBondContact O-N 3.06Å
255K86.6Confident90.1Very high182 Ų182123.2 Ų123.279%0.79158%0.579SS**PPolyproline II helixtrans-69.7124.3174.3-71.2179.6-176.5171.70109.9Y253Y253-K255 HydrophobicContact CD1-CG 4.16Å; Y253-K255 HydrophobicContact CE1-CG 3.88Å
256K87.4Confident89.7Confident164 Ų164131.6 Ų131.671%0.71360%0.601SS**PPolyproline II helixtrans-62.6143170.8-68.1-178.4179.7175.50110.2E254E254-K256 PolarHBondContact O-N 3.06Å
257P89.6Confident89.4Confident112 Ų112136.5 Ų136.573%0.72762%0.623SS**PPolyproline II helixtrans-61.4143.817725.5-33.9000110.8K259P257-K259 PolarHBondContact O-N 3.38Å
258K89.1Confident89Confident210 Ų210147.3 Ų147.391%0.91366%0.664SS**PPolyproline II helixtrans-67.2120.8175.9-67.5-178.6-177173.90108.5
259K87.9Confident88.7Confident182 Ų182149 Ų14979%0.79168%0.682SS**PPolyproline II helixtrans-89.3123.6172.9-64.5-173178.3-171.90109.5P257 V261P257-K259 PolarHBondContact O-N 3.38Å; K259-V261 HydrophobicContact CB-CG2 4.09Å; K259-V261 PolarHBondContact O-N 3.4Å
260E87.2Confident88.7Confident201 Ų201150.8 Ų150.894%0.93969%0.688SS**  trans-77.3110.5168.6-64.9-169.2172.300109.3
261V85.9Confident88.6Confident108 Ų108151 Ų15166%0.65569%0.687SS**  trans-120.9122.6-178.7-177.70000109.2K259 K263K259-V261 HydrophobicContact CB-CG2 4.09Å; K259-V261 PolarHBondContact O-N 3.4Å; V261-K263 PolarHBondContact O-N 3.29Å
262K86.5Confident88.8Confident200 Ų200153.4 Ų153.487%0.8770%0.704SS**  trans-63.1107.6168.9-72.3-175.1-179.7178.60109K264K262-K264 PolarHBondContact O-N 3.21Å
263K85.4Confident89.1Confident205 Ų205155.5 Ų155.589%0.89171%0.712SS**  trans-71.6100.6-179.3-67.5178.4-177.3172.50110.2V261V261-K263 PolarHBondContact O-N 3.29Å
264K86.9Confident89.4Confident160 Ų160153 Ų15370%0.69672%0.716SS**  trans-74.9136166.7-66.1-171.7-179-178.10109.8K262 W266K262-K264 PolarHBondContact O-N 3.21Å; K264-W266 HydrophobicContact CB-CZ2 4.49Å
265R85.5Confident90Very high173 Ų173152.7 Ų152.765%0.65372%0.715SS**  trans-92.2113175.5-174.2-175.2177.2152.813109.6N267 R268R265-N267 WeakPolarHBondContact CD-O 3.28Å; R265-N267 VanDerWaalsContact CG-O 3.29Å; R265-N267 WeakPolarHBondContact CG-O 3.29Å; R265-N267 PolarHBondContact NE-O 3.22Å; R265-R268 PolarHBondContact NH2-O 3.06Å
266W88.7Confident90.5Very high224 Ų224149.1 Ų149.185%0.84870%0.699SS**  trans-83.4-31176.6-55.8105.2000113K264K264-W266 HydrophobicContact CB-CZ2 4.49Å
267N91.2Very high90.9Very high130 Ų130147.9 Ų147.970%0.69569%0.694SS**SBendtrans-84133.6-177.9-67.3-20.4000111R265R265-N267 WeakPolarHBondContact CD-O 3.28Å; R265-N267 VanDerWaalsContact CG-O 3.29Å; R265-N267 WeakPolarHBondContact CG-O 3.29Å; R265-N267 PolarHBondContact NE-O 3.22Å
268R88.6Confident91.3Very high228 Ų228146.8 Ų146.886%0.8668%0.682SS**PPolyproline II helixtrans-54.3142.9173.6-67.3-175.4178.7-174.4-0.3111.4R265R265-R268 PolarHBondContact NH2-O 3.06Å
269P89.7Confident91.6Very high90 Ų90143 Ų14358%0.58466%0.662SS**PPolyproline II helixtrans-58.5148.2168.825.3-31.7000111.3M271P269-M271 PolarHBondContact O-N 2.88Å
270K93.6Very high92Very high200 Ų200138.1 Ų138.187%0.8765%0.647SS**PPolyproline II helixtrans-63127.2170.5-74.2-175.6177.9178.10107.2
271M93.5Very high92.4Very high82 Ų82131.2 Ų131.240%0.40462%0.624SS.*PPolyproline II helixtrans-61.7138.8175.2-66.1-178.3-65.600110.2P269 Q275 K276P269-M271 PolarHBondContact O-N 2.88Å; M271-Q275 HydrophobicContact CB-CB 4.24Å; M271-K276 HydrophobicContact CB-CG 3.95Å; M271-K276 HydrophobicContact CE-CG 4.1Å; M271-K276 WeakPolarHBondContact O-CE 3.34Å
272S96.4Very high92.9Very high57 Ų57131.3 Ų131.340%0.39962%0.618SS.*PPolyproline II helixtrans-65.2162.5171.974.90000110.7A274 Q275 K276S272-A274 VanDerWaalsContact C-N 3.26Å; S272-A274 PolarHBondContact O-N 3.28Å; S272-Q275 PolarHBondContact O-N 3Å; S272-Q275 WeakPolarHBondContact OG-CG 3.39Å; S272-Q275 PolarHBondContact OG-N 3.3Å; S272-K276 WeakPolarHBondContact O-CG 3.4Å; S272-K276 PolarHBondContact O-N 3.21Å
273L96.5Very high93.4Very high121 Ų121128 Ų12863%0.63460%0.604SS**Hα-helixtrans-60.1-39.3176.1-179.261.9000111.4K276 K277L273-K276 PolarHBondContact O-N 3.12Å; L273-K277 WeakPolarHBondContact O-CG 3.42Å; L273-K277 PolarHBondContact O-N 3.05Å
274A96.6Very high94Very high69 Ų69125.2 Ų125.257%0.5759%0.591SS**Hα-helixtrans-60.7-50.2177.100000111.6S272 K276 K277 D278S272-A274 VanDerWaalsContact C-N 3.26Å; S272-A274 PolarHBondContact O-N 3.28Å; A274-K276 VanDerWaalsContact C-N 3.26Å; A274-K276 PolarHBondContact O-N 3.27Å; A274-K277 PolarHBondContact O-N 2.92Å; A274-K277 VanDerWaalsContact O-N 3.14Å; A274-D278 WeakPolarHBondContact O-CB 3.34Å; A274-D278 PolarHBondContact O-N 3.14Å
275Q96.7Very high94.4Very high108 Ų108119.8 Ų119.851%0.50558%0.577SS.*Hα-helixtrans-58.7-37.2176.3-72.9171.8-24.400112.4M271 S272 R279M271-Q275 HydrophobicContact CB-CB 4.24Å; S272-Q275 PolarHBondContact O-N 3Å; S272-Q275 WeakPolarHBondContact OG-CG 3.39Å; S272-Q275 PolarHBondContact OG-N 3.3Å; Q275-R279 VanDerWaalsContact O-CB 3.28Å; Q275-R279 WeakPolarHBondContact O-CB 3.46Å; Q275-R279 PolarHBondContact O-N 2.98Å
276K97Very high94.9Very high107 Ų107114.6 Ų114.647%0.46557%0.566SS.*Hα-helixtrans-67.2-44.2176.1-71.5175.6-174.9176.40112.1M271 S272 L273 A274 V280M271-K276 HydrophobicContact CB-CG 3.95Å; M271-K276 HydrophobicContact CE-CG 4.1Å; M271-K276 WeakPolarHBondContact O-CE 3.34Å; S272-K276 WeakPolarHBondContact O-CG 3.4Å; S272-K276 PolarHBondContact O-N 3.21Å; L273-K276 PolarHBondContact O-N 3.12Å; A274-K276 VanDerWaalsContact C-N 3.26Å; A274-K276 PolarHBondContact O-N 3.27Å; K276-V280 WeakPolarHBondContact O-CG2 3.47Å; K276-V280 PolarHBondContact O-N 3.28Å; K276-V280 VanDerWaalsContact O-N 3.12Å
277K97Very high95.2Very high139 Ų139109.9 Ų109.960%0.60455%0.552SS**Hα-helixtrans-64.1-47.9179.2-75.6-176.5175.2-173.70111.2L273 A274 R279 V280 A281L273-K277 WeakPolarHBondContact O-CG 3.42Å; L273-K277 PolarHBondContact O-N 3.05Å; A274-K277 PolarHBondContact O-N 2.92Å; A274-K277 VanDerWaalsContact O-N 3.14Å; K277-R279 PolarHBondContact O-N 2.96Å; K277-V280 PolarHBondContact O-N 3.12Å; K277-V280 VanDerWaalsContact O-N 3.12Å; K277-A281 PolarHBondContact O-N 2.88Å
278D97Very high95.4Very high88 Ų88108.2 Ų108.247%0.47154%0.543SS..Hα-helixtrans-57.3-48.7176.7174.450.9000111.5A274 V280 A281 Q282A274-D278 WeakPolarHBondContact O-CB 3.34Å; A274-D278 PolarHBondContact O-N 3.14Å; D278-V280 VanDerWaalsContact C-N 3.27Å; D278-V280 PolarHBondContact O-N 3.07Å; D278-A281 WeakPolarHBondContact O-CB 3.41Å; D278-A281 PolarHBondContact O-N 3.1Å; D278-A281 VanDerWaalsContact O-N 3.07Å; D278-Q282 VanDerWaalsContact CG-NE2 3.28Å; D278-Q282 WeakPolarHBondContact O-CG 3.35Å; D278-Q282 PolarHBondContact O-N 3.07Å; D278-Q282 PolarHBondContact OD1-NE2 2.98Å; D278-Q282 VanDerWaalsContact OD1-NE2 3.1Å; D278-Q282 PolarHBondContact OD2-NE2 3.19Å
279R95.4Very high95.6Very high130 Ų130104.2 Ų104.249%0.49153%0.528SS..Hα-helixtrans-57.5-37.8175.4-172.3179.3-173.8-163.50.3113.4Q275 K277 K283Q275-R279 VanDerWaalsContact O-CB 3.28Å; Q275-R279 WeakPolarHBondContact O-CB 3.46Å; Q275-R279 PolarHBondContact O-N 2.98Å; K277-R279 PolarHBondContact O-N 2.96Å; R279-K283 WeakPolarHBondContact O-CB 3.28Å; R279-K283 WeakPolarHBondContact O-CG 3.45Å; R279-K283 PolarHBondContact O-N 3.22Å
280V96.5Very high95.9Very high80 Ų80102.7 Ų102.749%0.48552%0.523SS..Hα-helixtrans-69-42.5176.9170.50000110.7K276 K277 D278 K283 K284K276-V280 WeakPolarHBondContact O-CG2 3.47Å; K276-V280 PolarHBondContact O-N 3.28Å; K276-V280 VanDerWaalsContact O-N 3.12Å; K277-V280 PolarHBondContact O-N 3.12Å; K277-V280 VanDerWaalsContact O-N 3.12Å; D278-V280 VanDerWaalsContact C-N 3.27Å; D278-V280 PolarHBondContact O-N 3.07Å; V280-K283 PolarHBondContact O-N 3.47Å; V280-K284 HydrophobicContact CG1-CD 4.45Å; V280-K284 WeakPolarHBondContact O-CG 3.49Å; V280-K284 PolarHBondContact O-N 3.35Å
281A96.4Very high95.8Very high56 Ų5698.3 Ų98.346%0.46351%0.505SS..Hα-helixtrans-60.1-48.717600000111.3K277 D278 K283 K284 A285K277-A281 PolarHBondContact O-N 2.88Å; D278-A281 WeakPolarHBondContact O-CB 3.41Å; D278-A281 PolarHBondContact O-N 3.1Å; D278-A281 VanDerWaalsContact O-N 3.07Å; A281-K283 VanDerWaalsContact C-N 3.32Å; A281-K283 PolarHBondContact O-N 3.31Å; A281-K284 PolarHBondContact O-N 2.91Å; A281-A285 WeakPolarHBondContact O-CB 3.46Å; A281-A285 PolarHBondContact O-N 3.47Å
282Q96.6Very high95.8Very high110 Ų11099.8 Ų99.851%0.51451%0.511SS..Hα-helixtrans-57.8-42175.8-69.9173.98.100112.3D278 S286D278-Q282 VanDerWaalsContact CG-NE2 3.28Å; D278-Q282 WeakPolarHBondContact O-CG 3.35Å; D278-Q282 PolarHBondContact O-N 3.07Å; D278-Q282 PolarHBondContact OD1-NE2 2.98Å; D278-Q282 VanDerWaalsContact OD1-NE2 3.1Å; D278-Q282 PolarHBondContact OD2-NE2 3.19Å; Q282-S286 WeakPolarHBondContact O-CB 3.34Å; Q282-S286 PolarHBondContact O-N 2.88Å
283K96.7Very high95.5Very high132 Ų132105.7 Ų105.757%0.57453%0.525SS*.Hα-helixtrans-64.2-43.4176.2-81-172.5172-157.90112.9R279 V280 A281 S286 F287R279-K283 WeakPolarHBondContact O-CB 3.28Å; R279-K283 WeakPolarHBondContact O-CG 3.45Å; R279-K283 PolarHBondContact O-N 3.22Å; V280-K283 PolarHBondContact O-N 3.47Å; A281-K283 VanDerWaalsContact C-N 3.32Å; A281-K283 PolarHBondContact O-N 3.31Å; K283-S286 PolarHBondContact O-N 3.02Å; K283-F287 WeakPolarHBondContact O-CB 3.49Å; K283-F287 PolarHBondContact O-N 3.44Å
284K96.7Very high95.3Very high145 Ų145103 Ų10363%0.6352%0.519SS*.Hα-helixtrans-63.3-47176.8-73.3-177.4176-169.90111.2V280 A281 S286 F287 L288V280-K284 HydrophobicContact CG1-CD 4.45Å; V280-K284 WeakPolarHBondContact O-CG 3.49Å; V280-K284 PolarHBondContact O-N 3.35Å; A281-K284 PolarHBondContact O-N 2.91Å; K284-S286 VanDerWaalsContact C-N 3.33Å; K284-S286 PolarHBondContact O-N 3.06Å; K284-F287 WeakPolarHBondContact O-CB 3.4Å; K284-F287 PolarHBondContact O-N 3.11Å; K284-L288 PolarHBondContact O-N 3.04Å
285A96.4Very high95Very high47 Ų47103.7 Ų103.739%0.38853%0.526SS..Hα-helixtrans-61.5-40.6176.900000112.1A281 F287 R289A281-A285 WeakPolarHBondContact O-CB 3.46Å; A281-A285 PolarHBondContact O-N 3.47Å; A285-F287 VanDerWaalsContact C-N 3.33Å; A285-F287 PolarHBondContact O-N 2.93Å; A285-R289 WeakPolarHBondContact O-CG 3.49Å; A285-R289 PolarHBondContact O-N 3.17Å; A285-R289 VanDerWaalsContact O-N 3.11Å
286S95.6Very high94.4Very high63 Ų63106.4 Ų106.444%0.44154%0.538SS..Hα-helixtrans-64.5-36174.8-1700000113.3Q282 K283 K284 A290Q282-S286 WeakPolarHBondContact O-CB 3.34Å; Q282-S286 PolarHBondContact O-N 2.88Å; K283-S286 PolarHBondContact O-N 3.02Å; K284-S286 VanDerWaalsContact C-N 3.33Å; K284-S286 PolarHBondContact O-N 3.06Å; S286-A290 PolarHBondContact O-N 3.43Å
287F95.5Very high93.2Very high126 Ų126108.1 Ų108.155%0.55356%0.564SS**Hα-helixtrans-68.3-45.3178.2177.6-98.5000111.5K283 K284 A285 A290 Q291K283-F287 WeakPolarHBondContact O-CB 3.49Å; K283-F287 PolarHBondContact O-N 3.44Å; K284-F287 WeakPolarHBondContact O-CB 3.4Å; K284-F287 PolarHBondContact O-N 3.11Å; A285-F287 VanDerWaalsContact C-N 3.33Å; A285-F287 PolarHBondContact O-N 2.93Å; F287-A290 PolarHBondContact O-N 3.2Å; F287-A290 VanDerWaalsContact O-N 3.15Å; F287-Q291 HydrophobicContact CE1-CG 4.17Å; F287-Q291 HydrophobicContact CZ-CG 4.27Å; F287-Q291 PolarHBondContact O-N 3.15Å; F287-Q291 VanDerWaalsContact O-N 3.08Å
288L95Very high93Very high94 Ų94106.6 Ų106.649%0.49256%0.562SS.*Hα-helixtrans-59.5-47.4175.8-68.6171.5000111.5K284 A290 Q291 E292K284-L288 PolarHBondContact O-N 3.04Å; L288-A290 PolarHBondContact O-N 3.08Å; L288-Q291 PolarHBondContact O-N 3.01Å; L288-E292 WeakPolarHBondContact O-CG 3.5Å; L288-E292 PolarHBondContact O-N 3.25Å
289R93.7Very high92.8Very high145 Ų145107.6 Ų107.655%0.54757%0.567SS.*Hα-helixtrans-58.3-31.5175.3-73.3-172.7-62.8-177.12.2113.9A285 R293A285-R289 WeakPolarHBondContact O-CG 3.49Å; A285-R289 PolarHBondContact O-N 3.17Å; A285-R289 VanDerWaalsContact O-N 3.11Å; R289-R293 VanDerWaalsContact O-CG 3.31Å; R289-R293 WeakPolarHBondContact O-CG 3.47Å; R289-R293 PolarHBondContact O-N 2.95Å
290A94Very high92.7Very high58 Ų58106.3 Ų106.348%0.47957%0.571SS.*Hα-helixtrans-75.8-34.7177.100000112.1S286 F287 L288 A294S286-A290 PolarHBondContact O-N 3.43Å; F287-A290 PolarHBondContact O-N 3.2Å; F287-A290 VanDerWaalsContact O-N 3.15Å; L288-A290 PolarHBondContact O-N 3.08Å; A290-A294 WeakPolarHBondContact O-CB 3.43Å; A290-A294 PolarHBondContact O-N 3.19Å; A290-A294 VanDerWaalsContact O-N 3.17Å
291Q92.4Very high92.4Very high107 Ų107107.9 Ų107.950%0.558%0.576SS.*Hα-helixtrans-68.2-43.1173.3-71.9-166.2-19.100111.9F287 L288 R293 A294 A295F287-Q291 HydrophobicContact CE1-CG 4.17Å; F287-Q291 HydrophobicContact CZ-CG 4.27Å; F287-Q291 PolarHBondContact O-N 3.15Å; F287-Q291 VanDerWaalsContact O-N 3.08Å; L288-Q291 PolarHBondContact O-N 3.01Å; Q291-R293 PolarHBondContact O-N 3.06Å; Q291-A294 PolarHBondContact O-N 3.2Å; Q291-A295 PolarHBondContact O-N 3.07Å
292E93Very high92.2Very high113 Ų113111.1 Ų111.153%0.52858%0.583SS.*Hα-helixtrans-57.5-49.6176.2-71.9165.5178.500110.8L288 A294 A295 E296L288-E292 WeakPolarHBondContact O-CG 3.5Å; L288-E292 PolarHBondContact O-N 3.25Å; E292-A294 VanDerWaalsContact C-N 3.29Å; E292-A294 PolarHBondContact O-N 3.17Å; E292-A295 WeakPolarHBondContact O-CB 3.48Å; E292-A295 PolarHBondContact O-N 3.21Å; E292-E296 WeakPolarHBondContact O-CG 3.31Å; E292-E296 PolarHBondContact O-N 3.49Å; E292-E296 VanDerWaalsContact O-N 3.07Å
293R91.6Very high91.9Very high182 Ų182111.2 Ų111.269%0.68759%0.588SS**Hα-helixtrans-61-34.3176.7-74.4176.6-178.5-169.2-3.1114.2R289 Q291 A295 S297R289-R293 VanDerWaalsContact O-CG 3.31Å; R289-R293 WeakPolarHBondContact O-CG 3.47Å; R289-R293 PolarHBondContact O-N 2.95Å; Q291-R293 PolarHBondContact O-N 3.06Å; R293-A295 VanDerWaalsContact C-N 3.31Å; R293-S297 PolarHBondContact O-N 3.4Å; R293-S297 PolarHBondContact O-OG 3.39Å
294A91.7Very high91.6Very high63 Ų63109.7 Ų109.752%0.52159%0.589SS.*Hα-helixtrans-77.3-19.5178.100000112.8A290 Q291 E292 S297A290-A294 WeakPolarHBondContact O-CB 3.43Å; A290-A294 PolarHBondContact O-N 3.19Å; A290-A294 VanDerWaalsContact O-N 3.17Å; Q291-A294 PolarHBondContact O-N 3.2Å; E292-A294 VanDerWaalsContact C-N 3.29Å; E292-A294 PolarHBondContact O-N 3.17Å; A294-S297 PolarHBondContact O-OG 3.29Å
295A89.7Confident91.2Very high85 Ų85107 Ų10770%0.70259%0.585SS**Hα-helixtrans-85.1-25.8173.500000112.1Q291 E292 R293Q291-A295 PolarHBondContact O-N 3.07Å; E292-A295 WeakPolarHBondContact O-CB 3.48Å; E292-A295 PolarHBondContact O-N 3.21Å; R293-A295 VanDerWaalsContact C-N 3.31Å
296E85.1Confident90.7Very high165 Ų165112 Ų11277%0.77160%0.602SS**Hα-helixtrans-80.7-15.4175-70.417417400113.6E292E292-E296 WeakPolarHBondContact O-CG 3.31Å; E292-E296 PolarHBondContact O-N 3.49Å; E292-E296 VanDerWaalsContact O-N 3.07Å
297S71.5Confident90.3Very high143 Ų143116.5 Ų116.5100%162%0.616SS**  trans-99.10178.265.10000112.5R293 A294R293-S297 PolarHBondContact O-N 3.4Å; R293-S297 PolarHBondContact O-OG 3.39Å; A294-S297 PolarHBondContact O-OG 3.29Å

Retrieved 297 of 297 residues in 163.5 ms (Link to these results)

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