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Large ribosomal subunit protein uL18

Component of the ribosome, a large ribonucleoprotein complex responsible for the synthesis of proteins in the cell. The small ribosomal subunit (SSU) binds messenger RNAs (mRNAs) and translates the encoded message by selecting cognate aminoacyl-transfer RNA (tRNA) molecules. The large subunit (LSU) contains the ribosomal catalytic site termed the peptidyl transferase center (PTC), which catalyzes the formation of peptide bonds, thereby polymerizing the amino acids delivered by tRNAs into a polypeptide chain. The nascent polypeptides leave the ribosome through a tunnel in the LSU and interact with protein factors that function in enzymatic processing, targeting, and the membrane insertion of nascent chains at the exit of the ribosomal tunnel. As part of the 5S RNP/5S ribonucleoprotein particle it is an essential component of the LSU, required for its formation and the maturation of rRNAs1,2,3,4. It also couples ribosome biogenesis to p53/TP53 activation. As part of the 5S RNP it accumulates in the nucleoplasm and inhibits MDM2, when ribosome biogenesis is perturbed, mediating the stabilization and the activation of TP535.

AlphaFold DB , UniProt , Accession P46777, Species HUMAN (Homo sapiens, Human), 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 59.1 ms (Link to these results)