TMG1_PONAB Loading...

Transmembrane gamma-carboxyglutamic acid protein 1

AlphaFold DB , UniProt , Accession Q5RCB6, Species PONAB (Pongo abelii, Sumatran orangutan), Gene PRRG1, Length 218 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
1M43.1Very low77Confident237 Ų237124.9 Ų124.9100%1.16767%0.666SS**  0117.90-64.4-162.7-17800107.6
2G71.9Confident77Confident69 Ų69123.6 Ų123.671%0.71166%0.659SS**  trans-68.9138.9-177.900000110.5V4G2-V4 PolarHBondContact O-N 3.34Å; G2-V4 VanDerWaalsContact O-N 3.14Å
3R74.6Confident77Confident214 Ų214120.5 Ų120.581%0.80865%0.654SS**  trans-61.6116.1175-54.8-167.9-64.8-170.20.6108.2F5R3-F5 VanDerWaalsContact C-N 3.28Å
4V83Confident77.1Confident134 Ų134119 Ų11981%0.81265%0.65SS**SBendtrans-72.3-25.1-179.5177.80000111.4G2G2-V4 PolarHBondContact O-N 3.34Å; G2-V4 VanDerWaalsContact O-N 3.14Å
5F84Confident77Confident177 Ų177118.7 Ų118.778%0.77665%0.646SS**SBendtrans-104.5135.4178.9-62.1-78.8000111.7R3R3-F5 VanDerWaalsContact C-N 3.28Å
6L81.6Confident76.5Confident97 Ų97120.3 Ų120.351%0.50865%0.645SS.*  trans-69.3146.7164.9-64.3175.7000109K10 A11 V14L6-K10 HydrophobicContact CB-CB 4.38Å; L6-K10 HydrophobicContact CD2-CD 4.03Å; L6-K10 HydrophobicContact CD2-CG 4.09Å; L6-A11 HydrophobicContact CB-CB 4.2Å; L6-V14 HydrophobicContact CD1-CG2 4.14Å
7T84.1Confident75.9Confident68 Ų68125.4 Ų125.442%0.41765%0.653SS.*  trans-62.9149.817051.20000109.6E9 K10 A11T7-E9 PolarHBondContact O-N 3.2Å; T7-E9 VanDerWaalsContact O-N 3.13Å; T7-K10 CarbonylContact O-C 3.16Å; T7-K10 WeakPolarHBondContact O-CA 3.25Å; T7-K10 PolarHBondContact O-N 2.93Å; T7-K10 WeakPolarHBondContact OG1-CB 3.46Å; T7-A11 PolarHBondContact O-N 3.35Å
8G81.5Confident75.5Confident49 Ų49127.2 Ų127.251%0.50565%0.651SS.*Hα-helixtrans-51-41.5-175.800000113.5K10 A11 N12G8-K10 PolarHBondContact O-N 3.36Å; G8-A11 PolarHBondContact O-N 3.08Å; G8-N12 WeakPolarHBondContact O-CB 3.26Å; G8-N12 PolarHBondContact O-N 2.74Å; G8-N12 PolarHBondContact O-ND2 3.24Å
9E80.4Confident74.9Confident171 Ų171127.2 Ų127.280%0.79966%0.661SS**Hα-helixtrans-62.5-41.9175.3-61.5179.316800112.8T7 N12 S13T7-E9 PolarHBondContact O-N 3.2Å; T7-E9 VanDerWaalsContact O-N 3.13Å; E9-N12 PolarHBondContact O-N 3.05Å; E9-S13 PolarHBondContact O-N 2.61Å
10K81.6Confident74.6Confident123 Ų123128.2 Ų128.254%0.53566%0.655SS.*Hα-helixtrans-75-30.1178.6-169161.1-176.6165.50112.4L6 T7 G8 S13 V14L6-K10 HydrophobicContact CB-CB 4.38Å; L6-K10 HydrophobicContact CD2-CD 4.03Å; L6-K10 HydrophobicContact CD2-CG 4.09Å; T7-K10 CarbonylContact O-C 3.16Å; T7-K10 WeakPolarHBondContact O-CA 3.25Å; T7-K10 PolarHBondContact O-N 2.93Å; T7-K10 WeakPolarHBondContact OG1-CB 3.46Å; G8-K10 PolarHBondContact O-N 3.36Å; K10-S13 WeakPolarHBondContact CA-OG 3.47Å; K10-S13 PolarHBondContact O-OG 3.15Å; K10-V14 VanDerWaalsContact O-CG2 3.31Å; K10-V14 WeakPolarHBondContact O-CG2 3.35Å; K10-V14 PolarHBondContact O-N 2.92Å
11A81Confident74.2Confident35 Ų35126.6 Ų126.629%0.28966%0.661SS.*Hα-helixtrans-68.7-44.7171.800000110.7L6 T7 G8 S13 V14 L15L6-A11 HydrophobicContact CB-CB 4.2Å; T7-A11 PolarHBondContact O-N 3.35Å; G8-A11 PolarHBondContact O-N 3.08Å; A11-S13 VanDerWaalsContact C-N 3.3Å; A11-S13 PolarHBondContact O-N 3.2Å; A11-V14 PolarHBondContact O-N 3Å; A11-V14 VanDerWaalsContact O-N 3.13Å; A11-L15 PolarHBondContact O-N 3.41Å
12N76.8Confident75.4Confident109 Ų109120.4 Ų120.458%0.58363%0.633SS**Hα-helixtrans-65.4-30.7174.9-78.9-63.4000112.7G8 E9 V14 L15 K16G8-N12 WeakPolarHBondContact O-CB 3.26Å; G8-N12 PolarHBondContact O-N 2.74Å; G8-N12 PolarHBondContact O-ND2 3.24Å; E9-N12 PolarHBondContact O-N 3.05Å; N12-V14 VanDerWaalsContact C-N 3.3Å; N12-V14 PolarHBondContact O-N 3.5Å; N12-L15 CarbonylContact O-C 3.59Å; N12-L15 VanDerWaalsContact O-O 3.05Å; N12-K16 WeakPolarHBondContact O-CA 3.42Å; N12-K16 PolarHBondContact O-N 3.4Å
13S77Confident75.3Confident84 Ų84119.3 Ų119.359%0.58762%0.622SS**Hα-helixtrans-69.2-29.6173.271.90000112.9E9 K10 A11E9-S13 PolarHBondContact O-N 2.61Å; K10-S13 WeakPolarHBondContact CA-OG 3.47Å; K10-S13 PolarHBondContact O-OG 3.15Å; A11-S13 VanDerWaalsContact C-N 3.3Å; A11-S13 PolarHBondContact O-N 3.2Å
14V78.3Confident75.1Confident99 Ų99118 Ų11860%0.662%0.623SS**Hα-helixtrans-80.5-50.5177.2173.20000110.3L6 K10 A11 N12 K16L6-V14 HydrophobicContact CD1-CG2 4.14Å; K10-V14 VanDerWaalsContact O-CG2 3.31Å; K10-V14 WeakPolarHBondContact O-CG2 3.35Å; K10-V14 PolarHBondContact O-N 2.92Å; A11-V14 PolarHBondContact O-N 3Å; A11-V14 VanDerWaalsContact O-N 3.13Å; N12-V14 VanDerWaalsContact C-N 3.3Å; N12-V14 PolarHBondContact O-N 3.5Å; V14-K16 PolarHBondContact O-N 3.28Å
15L75.5Confident75Confident114 Ų114118 Ų11860%0.59761%0.611SS**SBendtrans-95.275.5173.9-59.5179000108.2A11 N12 R17A11-L15 PolarHBondContact O-N 3.41Å; N12-L15 CarbonylContact O-C 3.59Å; N12-L15 VanDerWaalsContact O-O 3.05Å; L15-R17 PolarHBondContact O-N 3.43Å
16K68.9Low74.8Confident144 Ų144111.5 Ų111.563%0.62658%0.584SS**  trans-6482.4176-168.4-175.5-173.3-170.70109.5N12 V14 Y18N12-K16 WeakPolarHBondContact O-CA 3.42Å; N12-K16 PolarHBondContact O-N 3.4Å; V14-K16 PolarHBondContact O-N 3.28Å; K16-Y18 HydrophobicContact CD-CE2 4.26Å; K16-Y18 PolarHBondContact NZ-OH 2.93Å; K16-Y18 PolarHBondContact O-N 3.1Å
17R67.6Low74.8Confident207 Ų207116 Ų11678%0.78160%0.602SS**  trans-78.5112167.1-75.8-176.6179.9167.5-0.8106.2L15L15-R17 PolarHBondContact O-N 3.43Å
18Y68Low74.7Confident159 Ų159119.1 Ų119.162%0.62462%0.615SS**  trans-58.7134.2161-71.5-87.4000107K16 R20K16-Y18 HydrophobicContact CD-CE2 4.26Å; K16-Y18 PolarHBondContact NZ-OH 2.93Å; K16-Y18 PolarHBondContact O-N 3.1Å; Y18-R20 PolarHBondContact O-N 3.34Å
19P64Low74.7Confident127 Ų127125.6 Ų125.683%0.82562%0.624SS**  trans-57.1107.8172.623-30.4000107
20R69.4Low74.9Confident147 Ų147122.8 Ų122.856%0.55561%0.611SS**  trans-66.2134.6170.7-60.8-93.7177.8101.9-1.5106Y18 N22 E40Y18-R20 PolarHBondContact O-N 3.34Å; R20-N22 WeakPolarHBondContact CB-OD1 3.43Å; R20-N22 PolarHBondContact O-N 3.29Å; R20-E40 WeakPolarHBondContact CD-OE1 3.38Å; R20-E40 WeakPolarHBondContact CD-OE2 3.36Å; R20-E40 IonicContact CZ-OE2 3.23Å; R20-E40 IonicContact NE-OE1 3.08Å; R20-E40 IonicContact NE-OE2 3.85Å; R20-E40 PolarHBondContact NE-OE2 2.77Å; R20-E40 IonicContact NH1-OE2 2.85Å; R20-E40 PolarHBondContact NH1-OE2 3.14Å; R20-E40 IonicContact NH2-OE2 2.72Å
21A66.2Low75.1Confident94 Ų94117.6 Ų117.678%0.77759%0.592SS**  trans-77.159.6177.200000109.9G23A21-G23 PolarHBondContact O-N 3.28Å; A21-G23 VanDerWaalsContact O-N 3.08Å
22N68.1Low75.6Confident107 Ų107120.1 Ų120.157%0.57260%0.601SS**  trans-72.6106.3179-69.530.2000107.7R20 E26R20-N22 WeakPolarHBondContact CB-OD1 3.43Å; R20-N22 PolarHBondContact O-N 3.29Å; N22-E26 VanDerWaalsContact CG-OE2 3.31Å; N22-E26 PolarHBondContact OD1-OE2 3.05Å
23G69.6Low76.3Confident47 Ų47115.9 Ų115.949%0.48558%0.578SS.*  trans-70.1151.3161.900000109.4A21 F25 E26A21-G23 PolarHBondContact O-N 3.28Å; A21-G23 VanDerWaalsContact O-N 3.08Å; G23-F25 PolarHBondContact O-N 2.96Å; G23-E26 PolarHBondContact O-N 3.05Å
24F71.3Confident77Confident187 Ų187116.1 Ų116.182%0.8257%0.57SS**THydrogen-bonded Turntrans-56.5-14.9177.8-176.7-103.1000114
25F80.9Confident77.6Confident132 Ų132113.8 Ų113.858%0.57955%0.55SS**THydrogen-bonded Turntrans-131.235.6-178.8-63.1-61.9000113.2G23 E27 I28 R29G23-F25 PolarHBondContact O-N 2.96Å; F25-E27 PolarHBondContact O-N 3.17Å; F25-I28 HydrophobicContact CB-CB 4.32Å; F25-I28 HydrophobicContact CB-CD1 4.16Å; F25-I28 HydrophobicContact CB-CG1 4.34Å; F25-I28 HydrophobicContact CD1-CD1 3.41Å; F25-I28 VanDerWaalsContact CD1-CD1 3.41Å; F25-I28 HydrophobicContact CD1-CG1 4.3Å; F25-I28 HydrophobicContact CE1-CD1 4.04Å; F25-I28 HydrophobicContact CG-CD1 4.07Å; F25-I28 PolarHBondContact O-N 3.38Å; F25-I28 VanDerWaalsContact O-N 3.15Å; F25-R29 PolarHBondContact O-N 2.63Å
26E79.4Confident78.3Confident42 Ų42109.3 Ų109.320%0.19653%0.527CS..G310 helixtrans-54.9-41.7177.8-179.4169.8-161.700112.7N22 G23 I28 R29 R35N22-E26 VanDerWaalsContact CG-OE2 3.31Å; N22-E26 PolarHBondContact OD1-OE2 3.05Å; G23-E26 PolarHBondContact O-N 3.05Å; E26-I28 VanDerWaalsContact C-N 3.26Å; E26-I28 PolarHBondContact O-N 2.85Å; E26-R29 WeakPolarHBondContact O-CB 3.48Å; E26-R29 PolarHBondContact O-N 3.11Å; E26-R35 IonicContact OE1-CZ 3.88Å; E26-R35 IonicContact OE1-NH1 3.83Å; E26-R35 PolarHBondContact OE1-NH1 2.96Å; E26-R35 IonicContact OE1-NH2 3.76Å; E26-R35 PolarHBondContact OE1-NH2 3.48Å
27E81.6Confident79.5Confident190 Ų190102.7 Ų102.789%0.88850%0.498SS*.G310 helixtrans-65.6-23.7179.2-62.5179.3179.200113.9F25 R29F25-E27 PolarHBondContact O-N 3.17Å; E27-R29 VanDerWaalsContact C-N 3.32Å
28I81.4Confident80.6Confident135 Ų13599.1 Ų99.169%0.69249%0.488SS*.G310 helixtrans-83.4-18.3177.6-54.6-177.9000110.4F25 E26F25-I28 HydrophobicContact CB-CB 4.32Å; F25-I28 HydrophobicContact CB-CD1 4.16Å; F25-I28 HydrophobicContact CB-CG1 4.34Å; F25-I28 HydrophobicContact CD1-CD1 3.41Å; F25-I28 VanDerWaalsContact CD1-CD1 3.41Å; F25-I28 HydrophobicContact CD1-CG1 4.3Å; F25-I28 HydrophobicContact CE1-CD1 4.04Å; F25-I28 HydrophobicContact CG-CD1 4.07Å; F25-I28 PolarHBondContact O-N 3.38Å; F25-I28 VanDerWaalsContact O-N 3.15Å; E26-I28 VanDerWaalsContact C-N 3.26Å; E26-I28 PolarHBondContact O-N 2.85Å
29R80.7Confident81.6Confident184 Ų18498.5 Ų98.569%0.69449%0.491SS*.SBendtrans-82.4147.9-177.3-163.1-178.7-170-164.72.1110F25 E26 E27 G31F25-R29 PolarHBondContact O-N 2.63Å; E26-R29 WeakPolarHBondContact O-CB 3.48Å; E26-R29 PolarHBondContact O-N 3.11Å; E27-R29 VanDerWaalsContact C-N 3.32Å; R29-G31 PolarHBondContact O-N 3.5Å; R29-G31 VanDerWaalsContact O-N 3.17Å
30Q84.8Confident82.8Confident113 Ų11394.3 Ų94.353%0.52846%0.461SS..PPolyproline II helixtrans-52.2122.1169.1-167.971.513.400111.1E52Q30-E52 PolarHBondContact NE2-OE1 2.98Å; Q30-E52 PolarHBondContact OE1-OE1 3.38Å
31G86.4Confident83.7Confident14 Ų1493.5 Ų93.514%0.14446%0.461CS..PPolyproline II helixtrans-61.3143.4175.100000112R29 A50R29-G31 PolarHBondContact O-N 3.5Å; R29-G31 VanDerWaalsContact O-N 3.17Å; G31-A50 VanDerWaalsContact C-CB 3.48Å; G31-A50 WeakPolarHBondContact O-CA 3.41Å; G31-A50 VanDerWaalsContact O-CB 3.32Å; G31-A50 WeakPolarHBondContact O-CB 3.38Å
32N91Very high85Confident87 Ų8789 Ų8947%0.46542%0.424SS..  trans-123.8114.3177.4-179.2-20.8000110.2E34 R35 E36N32-E34 VanDerWaalsContact C-N 3.26Å; N32-E34 PolarHBondContact O-N 2.75Å; N32-E34 WeakPolarHBondContact OD1-CB 3.49Å; N32-E34 PolarHBondContact OD1-N 2.99Å; N32-R35 HydrophobicContact CB-CB 4.26Å; N32-R35 PolarHBondContact O-N 3.31Å; N32-E36 WeakPolarHBondContact O-CG 3.41Å; N32-E36 PolarHBondContact O-N 2.93Å
33I92.5Very high86.2Confident21 Ų2187.2 Ų87.211%0.10842%0.417CS..Hα-helixtrans-55.1-36.1-178.3-67-66.2000113.7R35 C37 K38 A47 A50 F51 F60I33-R35 VanDerWaalsContact C-N 3.3Å; I33-R35 PolarHBondContact O-N 3.43Å; I33-C37 HydrophobicContact CG2-CB 4.28Å; I33-C37 WeakPolarHBondContact O-CA 3.4Å; I33-C37 VanDerWaalsContact O-CB 3.31Å; I33-C37 WeakPolarHBondContact O-CB 3.43Å; I33-C37 PolarHBondContact O-N 3.22Å; I33-K38 PolarHBondContact O-N 3.43Å; I33-A47 HydrophobicContact CD1-CB 4.01Å; I33-A50 HydrophobicContact CD1-CB 3.59Å; I33-A50 HydrophobicContact CG1-CB 3.62Å; I33-F51 HydrophobicContact CB-CZ 4.41Å; I33-F51 HydrophobicContact CD1-CD2 3.66Å; I33-F51 HydrophobicContact CD1-CE2 3.34Å; I33-F51 HydrophobicContact CD1-CG 4.45Å; I33-F51 HydrophobicContact CD1-CZ 3.93Å; I33-F51 HydrophobicContact CG1-CD1 4.39Å; I33-F51 HydrophobicContact CG1-CD2 3.98Å; I33-F51 HydrophobicContact CG1-CE1 4.03Å; I33-F51 HydrophobicContact CG1-CE2 3.56Å; I33-F51 HydrophobicContact CG1-CG 4.37Å; I33-F51 HydrophobicContact CG1-CZ 3.6Å; I33-F51 HydrophobicContact CG2-CE2 4.47Å; I33-F51 HydrophobicContact CG2-CZ 4.18Å; I33-F60 HydrophobicContact CD1-CE1 4.34Å; I33-F60 HydrophobicContact CG2-CE1 4.34Å; I33-F60 HydrophobicContact CG2-CE2 3.8Å; I33-F60 HydrophobicContact CG2-CZ 3.7Å
34E92.2Very high87.4Confident88 Ų8888.9 Ų88.941%0.41141%0.411SS..Iπ-helixtrans-60.7-45.6178-168.370-161.200110.3N32 K38 E39N32-E34 VanDerWaalsContact C-N 3.26Å; N32-E34 PolarHBondContact O-N 2.75Å; N32-E34 WeakPolarHBondContact OD1-CB 3.49Å; N32-E34 PolarHBondContact OD1-N 2.99Å; E34-K38 CarbonylContact O-C 3.53Å; E34-K38 WeakPolarHBondContact O-CA 3.37Å; E34-K38 VanDerWaalsContact O-CB 3.27Å; E34-K38 WeakPolarHBondContact O-CB 3.18Å; E34-K38 PolarHBondContact O-N 3.48Å; E34-K38 VanDerWaalsContact O-N 3.16Å; E34-K38 IonicContact OE1-NZ 3.97Å; E34-K38 VanDerWaalsContact OE2-CD 3.23Å; E34-K38 WeakPolarHBondContact OE2-CD 3.32Å; E34-K38 WeakPolarHBondContact OE2-CE 3.45Å; E34-K38 IonicContact OE2-NZ 3.17Å; E34-K38 PolarHBondContact OE2-NZ 2.8Å; E34-E39 PolarHBondContact O-N 2.99Å
35R89.9Confident88.4Confident50 Ų5084.1 Ų84.119%0.18939%0.391CS..Iπ-helixtrans-76.7-53.5-176.3-170.318072.590.1-7111.9E26 N32 I33 E39 E40E26-R35 IonicContact OE1-CZ 3.88Å; E26-R35 IonicContact OE1-NH1 3.83Å; E26-R35 PolarHBondContact OE1-NH1 2.96Å; E26-R35 IonicContact OE1-NH2 3.76Å; E26-R35 PolarHBondContact OE1-NH2 3.48Å; N32-R35 HydrophobicContact CB-CB 4.26Å; N32-R35 PolarHBondContact O-N 3.31Å; I33-R35 VanDerWaalsContact C-N 3.3Å; I33-R35 PolarHBondContact O-N 3.43Å; R35-E39 WeakPolarHBondContact O-CB 3.49Å; R35-E40 WeakPolarHBondContact O-CB 3.37Å; R35-E40 WeakPolarHBondContact O-CG 3.42Å; R35-E40 PolarHBondContact O-N 3.37Å
36E91.1Very high89Confident21 Ų2180.7 Ų80.710%0.09838%0.377CS..Iπ-helixtrans-68.6-43.3-175.9-54.5-57.1167.200111.7N32 E40 F41 C42N32-E36 WeakPolarHBondContact O-CG 3.41Å; N32-E36 PolarHBondContact O-N 2.93Å; E36-E40 CarbonylContact O-C 3.55Å; E36-E40 WeakPolarHBondContact O-CA 3.1Å; E36-E40 WeakPolarHBondContact O-CB 3.43Å; E36-F41 CarbonylContact O-C 3.55Å; E36-C42 HydrophobicContact CB-CB 3.94Å; E36-C42 VanDerWaalsContact O-CB 3.3Å; E36-C42 WeakPolarHBondContact O-CB 3.42Å; E36-C42 PolarHBondContact O-N 3.12Å
37C92.7Very high89.8Confident4 Ų478.7 Ų78.73%0.02737%0.368CS..Iπ-helixtrans-109.1-26.2-166.3-60.30000114.4I33 E40 C42 F60 Y64I33-C37 HydrophobicContact CG2-CB 4.28Å; I33-C37 WeakPolarHBondContact O-CA 3.4Å; I33-C37 VanDerWaalsContact O-CB 3.31Å; I33-C37 WeakPolarHBondContact O-CB 3.43Å; I33-C37 PolarHBondContact O-N 3.22Å; C37-E40 CarbonylContact C-O 3.21Å; C37-E40 WeakPolarHBondContact CA-O 3.3Å; C37-C42 WeakPolarHBondContact CA-SG 3.16Å; C37-C42 HydrophobicContact CB-CB 3.89Å; C37-C42 WeakPolarHBondContact CB-SG 2.99Å; C37-C42 WeakPolarHBondContact SG-CB 3.07Å; C37-C42 CovalentContact SG-SG 2.02Å; C37-C42 PolarHBondContact SG-SG 3.33Å; C37-F60 HydrophobicContact CB-CE1 3.91Å; C37-F60 HydrophobicContact CB-CZ 3.66Å; C37-Y64 HydrophobicContact CB-CE2 4.37Å; C37-Y64 WeakPolarHBondContact O-CE2 3.48Å; C37-Y64 PolarHBondContact O-OH 3.22Å
38K90.8Very high90.4Very high133 Ų13373.3 Ų73.358%0.57834%0.34SS*.Iπ-helixtrans-98.1-41.2178.9-53.6-164.8-160.1158.30112.7I33 E34I33-K38 PolarHBondContact O-N 3.43Å; E34-K38 CarbonylContact O-C 3.53Å; E34-K38 WeakPolarHBondContact O-CA 3.37Å; E34-K38 VanDerWaalsContact O-CB 3.27Å; E34-K38 WeakPolarHBondContact O-CB 3.18Å; E34-K38 PolarHBondContact O-N 3.48Å; E34-K38 VanDerWaalsContact O-N 3.16Å; E34-K38 IonicContact OE1-NZ 3.97Å; E34-K38 VanDerWaalsContact OE2-CD 3.23Å; E34-K38 WeakPolarHBondContact OE2-CD 3.32Å; E34-K38 WeakPolarHBondContact OE2-CE 3.45Å; E34-K38 IonicContact OE2-NZ 3.17Å; E34-K38 PolarHBondContact OE2-NZ 2.8Å
39E90.1Very high91Very high145 Ų14570.9 Ų70.968%0.67833%0.325SS*.Iπ-helixtrans-81.2-36.6172.9-64.3176.7-171.200111.3E34 R35E34-E39 PolarHBondContact O-N 2.99Å; R35-E39 WeakPolarHBondContact O-CB 3.49Å
40E88.5Confident91.6Very high40 Ų4063.1 Ų63.119%0.18730%0.3CS..SBendtrans-114.6175.4178.7-58.7-170.6-161.400113R20 R35 E36 C37R20-E40 WeakPolarHBondContact CD-OE1 3.38Å; R20-E40 WeakPolarHBondContact CD-OE2 3.36Å; R20-E40 IonicContact CZ-OE2 3.23Å; R20-E40 IonicContact NE-OE1 3.08Å; R20-E40 IonicContact NE-OE2 3.85Å; R20-E40 PolarHBondContact NE-OE2 2.77Å; R20-E40 IonicContact NH1-OE2 2.85Å; R20-E40 PolarHBondContact NH1-OE2 3.14Å; R20-E40 IonicContact NH2-OE2 2.72Å; R35-E40 WeakPolarHBondContact O-CB 3.37Å; R35-E40 WeakPolarHBondContact O-CG 3.42Å; R35-E40 PolarHBondContact O-N 3.37Å; E36-E40 CarbonylContact O-C 3.55Å; E36-E40 WeakPolarHBondContact O-CA 3.1Å; E36-E40 WeakPolarHBondContact O-CB 3.43Å; C37-E40 CarbonylContact C-O 3.21Å; C37-E40 WeakPolarHBondContact CA-O 3.3Å
41F89.1Confident92Very high130 Ų13060.8 Ų60.857%0.5729%0.289SS*.  trans-95.3114.1170.2-175.3-88.6000108.8E36 Y64 Q68E36-F41 CarbonylContact O-C 3.55Å; F41-Y64 WeakPolarHBondContact CA-OH 3.43Å; F41-Y64 HydrophobicContact CD2-CE1 4.44Å; F41-Y64 WeakPolarHBondContact CD2-OH 3.43Å; F41-Y64 HydrophobicContact CE2-CE1 4.24Å; F41-Q68 HydrophobicContact CD2-CG 4.34Å; F41-Q68 HydrophobicContact CE2-CB 4.45Å; F41-Q68 HydrophobicContact CE2-CG 3.84Å
42C92.5Very high92.3Very high0 Ų067 Ų670%031%0.314CS..  trans-99.8157.3-176.369.20000113.7E36 C37 E46 W61 Y64E36-C42 HydrophobicContact CB-CB 3.94Å; E36-C42 VanDerWaalsContact O-CB 3.3Å; E36-C42 WeakPolarHBondContact O-CB 3.42Å; E36-C42 PolarHBondContact O-N 3.12Å; C37-C42 WeakPolarHBondContact CA-SG 3.16Å; C37-C42 HydrophobicContact CB-CB 3.89Å; C37-C42 WeakPolarHBondContact CB-SG 2.99Å; C37-C42 WeakPolarHBondContact SG-CB 3.07Å; C37-C42 CovalentContact SG-SG 2.02Å; C37-C42 PolarHBondContact SG-SG 3.33Å; C42-E46 WeakPolarHBondContact CA-OE2 3.36Å; C42-E46 HydrophobicContact CB-CB 4.23Å; C42-E46 WeakPolarHBondContact CB-OE2 3.5Å; C42-W61 WeakPolarHBondContact O-CH2 3.08Å; C42-Y64 PolarHBondContact N-OH 3Å
43T92.7Very high92.5Very high69 Ų6965.9 Ų65.942%0.42331%0.308SS..  trans-85.816416865.60000111.7E45 E46 A47 W61T43-E45 PolarHBondContact O-N 3.45Å; T43-E46 PolarHBondContact N-OE2 3.43Å; T43-E46 PolarHBondContact O-N 3.48Å; T43-E46 WeakPolarHBondContact OG1-CG 2.98Å; T43-E46 PolarHBondContact OG1-N 3.41Å; T43-E46 PolarHBondContact OG1-OE1 3.17Å; T43-A47 PolarHBondContact O-N 3.46Å; T43-W61 VanDerWaalsContact C-CH2 3.45Å; T43-W61 WeakPolarHBondContact O-CZ3 3.3Å
44F94.9Very high92.6Very high82 Ų8270.2 Ų70.236%0.3633%0.331SS..Hα-helixtrans-61-33.8178177.6-100.4000111.5A47 R48 T57 W61F44-A47 PolarHBondContact O-N 2.91Å; F44-R48 WeakPolarHBondContact O-CB 3.31Å; F44-R48 PolarHBondContact O-N 3.4Å; F44-T57 HydrophobicContact CD2-CG2 4Å; F44-T57 HydrophobicContact CE2-CG2 3.59Å; F44-T57 HydrophobicContact CZ-CG2 3.95Å; F44-W61 VanDerWaalsContact CA-CZ3 3.43Å; F44-W61 HydrophobicContact CB-CD2 4.06Å; F44-W61 HydrophobicContact CB-CE3 4.14Å; F44-W61 HydrophobicContact CB-CH2 3.95Å; F44-W61 HydrophobicContact CB-CZ2 3.8Å; F44-W61 HydrophobicContact CB-CZ3 4.1Å; F44-W61 HydrophobicContact CD2-CB 3.94Å; F44-W61 AromaticContact CD2-CD1 3.79Å; F44-W61 AromaticContact CD2-CD2 3.59Å; F44-W61 HydrophobicContact CD2-CD2 3.59Å; F44-W61 AromaticContact CD2-CE2 3.95Å; F44-W61 HydrophobicContact CD2-CE3 4.08Å; F44-W61 AromaticContact CD2-CG 3.51Å; F44-W61 HydrophobicContact CD2-CG 3.51Å; F44-W61 HydrophobicContact CE2-CB 4.1Å; F44-W61 HydrophobicContact CE2-CG 4.08Å; F44-W61 HydrophobicContact CG-CD2 4.32Å
45E94.1Very high92.8Very high86 Ų8673.6 Ų73.640%0.40235%0.347SS..Hα-helixtrans-69.9-43.7-178.6-170.964.9177.800111.9T43 A47 R48 E49T43-E45 PolarHBondContact O-N 3.45Å; E45-A47 VanDerWaalsContact C-N 3.27Å; E45-A47 PolarHBondContact O-N 3.28Å; E45-R48 CarbonylContact O-C 3.59Å; E45-R48 WeakPolarHBondContact O-CA 3.44Å; E45-R48 VanDerWaalsContact O-CB 3.3Å; E45-R48 WeakPolarHBondContact O-CB 3.39Å; E45-R48 PolarHBondContact O-N 3.35Å; E45-R48 IonicContact OE1-CZ 3.19Å; E45-R48 VanDerWaalsContact OE1-CZ 3.25Å; E45-R48 IonicContact OE1-NE 3.94Å; E45-R48 PolarHBondContact OE1-NE 3.11Å; E45-R48 VanDerWaalsContact OE1-NE 3.11Å; E45-R48 IonicContact OE1-NH2 3.07Å; E45-R48 PolarHBondContact OE1-NH2 3.34Å; E45-R48 IonicContact OE2-CZ 2.88Å; E45-R48 IonicContact OE2-NE 2.76Å; E45-R48 PolarHBondContact OE2-NE 2.85Å; E45-R48 IonicContact OE2-NH2 2.62Å; E45-E49 WeakPolarHBondContact O-CG 3.46Å; E45-E49 PolarHBondContact O-N 2.99Å
46E92.6Very high93Very high61 Ų6177 Ų7729%0.28536%0.363SS..Hα-helixtrans-59.2-40.2172.8-72155.1-147.300111.6C42 T43 R48 E49 A50C42-E46 WeakPolarHBondContact CA-OE2 3.36Å; C42-E46 HydrophobicContact CB-CB 4.23Å; C42-E46 WeakPolarHBondContact CB-OE2 3.5Å; T43-E46 PolarHBondContact N-OE2 3.43Å; T43-E46 PolarHBondContact O-N 3.48Å; T43-E46 WeakPolarHBondContact OG1-CG 2.98Å; T43-E46 PolarHBondContact OG1-N 3.41Å; T43-E46 PolarHBondContact OG1-OE1 3.17Å; E46-R48 VanDerWaalsContact C-N 3.32Å; E46-R48 PolarHBondContact O-N 3.47Å; E46-E49 PolarHBondContact O-N 3.4Å; E46-A50 WeakPolarHBondContact O-CB 3.32Å; E46-A50 PolarHBondContact O-N 2.98Å
47A95.2Very high93.3Very high0 Ų076 Ų760%036%0.358CS..Hα-helixtrans-66.9-33.7174.500000112.2I33 T43 F44 E45 F51 T57 F60 W61I33-A47 HydrophobicContact CD1-CB 4.01Å; T43-A47 PolarHBondContact O-N 3.46Å; F44-A47 PolarHBondContact O-N 2.91Å; E45-A47 VanDerWaalsContact C-N 3.27Å; E45-A47 PolarHBondContact O-N 3.28Å; A47-F51 WeakPolarHBondContact O-CD2 3.05Å; A47-F51 PolarHBondContact O-N 3.29Å; A47-T57 HydrophobicContact CB-CG2 3.87Å; A47-T57 PolarHBondContact O-OG1 3.42Å; A47-F60 HydrophobicContact CB-CD1 4.32Å; A47-F60 HydrophobicContact CB-CE1 4.37Å; A47-W61 HydrophobicContact CB-CE3 4.39Å
48R95.4Very high93.5Very high77 Ų7783.2 Ų83.229%0.29139%0.389SS..Hα-helixtrans-68-43.7175.4-170.7-162.861.763.44111.2F44 E45 E46 E52 T57F44-R48 WeakPolarHBondContact O-CB 3.31Å; F44-R48 PolarHBondContact O-N 3.4Å; E45-R48 CarbonylContact O-C 3.59Å; E45-R48 WeakPolarHBondContact O-CA 3.44Å; E45-R48 VanDerWaalsContact O-CB 3.3Å; E45-R48 WeakPolarHBondContact O-CB 3.39Å; E45-R48 PolarHBondContact O-N 3.35Å; E45-R48 IonicContact OE1-CZ 3.19Å; E45-R48 VanDerWaalsContact OE1-CZ 3.25Å; E45-R48 IonicContact OE1-NE 3.94Å; E45-R48 PolarHBondContact OE1-NE 3.11Å; E45-R48 VanDerWaalsContact OE1-NE 3.11Å; E45-R48 IonicContact OE1-NH2 3.07Å; E45-R48 PolarHBondContact OE1-NH2 3.34Å; E45-R48 IonicContact OE2-CZ 2.88Å; E45-R48 IonicContact OE2-NE 2.76Å; E45-R48 PolarHBondContact OE2-NE 2.85Å; E45-R48 IonicContact OE2-NH2 2.62Å; E46-R48 VanDerWaalsContact C-N 3.32Å; E46-R48 PolarHBondContact O-N 3.47Å; R48-E52 WeakPolarHBondContact O-CA 3.48Å; R48-E52 PolarHBondContact O-N 3.19Å; R48-T57 WeakPolarHBondContact CA-OG1 3.46Å; R48-T57 HydrophobicContact CB-CG2 4.11Å
49E93.8Very high93.7Very high84 Ų8483.7 Ų83.739%0.39339%0.394SS..Hα-helixtrans-64.3-40.9177.3-71174.8-179.400111.7E45 E46E45-E49 WeakPolarHBondContact O-CG 3.46Å; E45-E49 PolarHBondContact O-N 2.99Å; E46-E49 PolarHBondContact O-N 3.4Å
50A92.9Very high94Very high20 Ų2078.9 Ų78.917%0.16537%0.371CS..Hα-helixtrans-72.5-31.7-179.400000114.1G31 I33 E46G31-A50 VanDerWaalsContact C-CB 3.48Å; G31-A50 WeakPolarHBondContact O-CA 3.41Å; G31-A50 VanDerWaalsContact O-CB 3.32Å; G31-A50 WeakPolarHBondContact O-CB 3.38Å; I33-A50 HydrophobicContact CD1-CB 3.59Å; I33-A50 HydrophobicContact CG1-CB 3.62Å; E46-A50 WeakPolarHBondContact O-CB 3.32Å; E46-A50 PolarHBondContact O-N 2.98Å
51F93.8Very high94.4Very high65 Ų6580 Ų8029%0.28537%0.373SS..Hα-helixtrans-90.7-20.5177.8-77.3-61.5000114.4I33 A47 N53 K56 F60I33-F51 HydrophobicContact CB-CZ 4.41Å; I33-F51 HydrophobicContact CD1-CD2 3.66Å; I33-F51 HydrophobicContact CD1-CE2 3.34Å; I33-F51 HydrophobicContact CD1-CG 4.45Å; I33-F51 HydrophobicContact CD1-CZ 3.93Å; I33-F51 HydrophobicContact CG1-CD1 4.39Å; I33-F51 HydrophobicContact CG1-CD2 3.98Å; I33-F51 HydrophobicContact CG1-CE1 4.03Å; I33-F51 HydrophobicContact CG1-CE2 3.56Å; I33-F51 HydrophobicContact CG1-CG 4.37Å; I33-F51 HydrophobicContact CG1-CZ 3.6Å; I33-F51 HydrophobicContact CG2-CE2 4.47Å; I33-F51 HydrophobicContact CG2-CZ 4.18Å; A47-F51 WeakPolarHBondContact O-CD2 3.05Å; A47-F51 PolarHBondContact O-N 3.29Å; F51-N53 PolarHBondContact O-N 3.46Å; F51-K56 HydrophobicContact CB-CB 4.4Å; F51-K56 HydrophobicContact CD1-CB 4.31Å; F51-K56 HydrophobicContact CG-CB 4.29Å; F51-F60 HydrophobicContact CE2-CB 3.64Å; F51-F60 AromaticContact CE2-CD1 3.76Å; F51-F60 HydrophobicContact CE2-CD1 3.76Å; F51-F60 HydrophobicContact CE2-CD2 4.13Å; F51-F60 HydrophobicContact CE2-CE1 4.46Å; F51-F60 AromaticContact CE2-CG 3.56Å; F51-F60 HydrophobicContact CE2-CG 3.56Å; F51-F60 HydrophobicContact CZ-CB 4.03Å; F51-F60 HydrophobicContact CZ-CD1 4.49Å; F51-F60 HydrophobicContact CZ-CD2 4.06Å; F51-F60 AromaticContact CZ-CG 3.93Å; F51-F60 HydrophobicContact CZ-CG 3.93Å
52E93.1Very high94.7Very high144 Ų14477 Ų7767%0.67337%0.369SS*.SBendtrans52.415-171.8-59.3-178.8171.300114.4Q30 R48Q30-E52 PolarHBondContact NE2-OE1 2.98Å; Q30-E52 PolarHBondContact OE1-OE1 3.38Å; R48-E52 WeakPolarHBondContact O-CA 3.48Å; R48-E52 PolarHBondContact O-N 3.19Å
53N94.2Very high94.8Very high63 Ų6381.5 Ų81.534%0.33740%0.396SS..  trans-143.9115.6-173.7-174.8-35.7000111F51 E55 K56 T57F51-N53 PolarHBondContact O-N 3.46Å; N53-E55 VanDerWaalsContact C-N 3.31Å; N53-E55 PolarHBondContact O-N 2.74Å; N53-E55 PolarHBondContact OD1-N 2.92Å; N53-K56 HydrophobicContact CB-CB 4.34Å; N53-K56 HydrophobicContact CB-CD 4.38Å; N53-K56 HydrophobicContact CB-CG 4.37Å; N53-K56 PolarHBondContact O-N 3.39Å; N53-T57 PolarHBondContact O-N 3.36Å; N53-T57 PolarHBondContact O-OG1 3.07Å
54N95.3Very high94.9Very high113 Ų11379.3 Ų79.360%0.60438%0.38SS*.Hα-helixtrans-58.5-36.4-177.2-67.1-54.7000114K58N54-K58 WeakPolarHBondContact O-CB 3.17Å; N54-K58 PolarHBondContact O-N 3.32Å
55E96.1Very high94.8Very high158 Ų15878.1 Ų78.174%0.73838%0.379SS*.Hα-helixtrans-70-46.2-177.9-65.6-179.9170.200111.1N53 K58 E59N53-E55 VanDerWaalsContact C-N 3.31Å; N53-E55 PolarHBondContact O-N 2.74Å; N53-E55 PolarHBondContact OD1-N 2.92Å; E55-K58 PolarHBondContact O-N 3.39Å; E55-E59 PolarHBondContact O-N 2.91Å; E55-E59 VanDerWaalsContact O-N 3.14Å
56K95Very high94.7Very high122 Ų12281.6 Ų81.653%0.5339%0.393SS..Hα-helixtrans-62.7-43.3176.1-70-173.8178.6178.40111.7F51 N53 K58 E59 F60F51-K56 HydrophobicContact CB-CB 4.4Å; F51-K56 HydrophobicContact CD1-CB 4.31Å; F51-K56 HydrophobicContact CG-CB 4.29Å; N53-K56 HydrophobicContact CB-CB 4.34Å; N53-K56 HydrophobicContact CB-CD 4.38Å; N53-K56 HydrophobicContact CB-CG 4.37Å; N53-K56 PolarHBondContact O-N 3.39Å; K56-K58 VanDerWaalsContact C-N 3.32Å; K56-K58 PolarHBondContact O-N 3.43Å; K56-E59 PolarHBondContact O-N 2.86Å; K56-F60 WeakPolarHBondContact O-CB 3.34Å; K56-F60 PolarHBondContact O-N 3.42Å
57T96.6Very high94.6Very high0 Ų081.6 Ų81.60%040%0.404CS..Hα-helixtrans-61.2-41.4177.2-54.80000111.3F44 A47 R48 N53 F60 W61F44-T57 HydrophobicContact CD2-CG2 4Å; F44-T57 HydrophobicContact CE2-CG2 3.59Å; F44-T57 HydrophobicContact CZ-CG2 3.95Å; A47-T57 HydrophobicContact CB-CG2 3.87Å; A47-T57 PolarHBondContact O-OG1 3.42Å; R48-T57 WeakPolarHBondContact CA-OG1 3.46Å; R48-T57 HydrophobicContact CB-CG2 4.11Å; N53-T57 PolarHBondContact O-N 3.36Å; N53-T57 PolarHBondContact O-OG1 3.07Å; T57-F60 PolarHBondContact O-N 3.09Å; T57-W61 WeakPolarHBondContact O-CB 3.23Å; T57-W61 PolarHBondContact O-N 3.05Å
58K96.7Very high94.2Very high156 Ų15684.6 Ų84.668%0.67842%0.418SS*.Hα-helixtrans-64.7-43179-171.3177.3-177.6178.80112.6N54 E55 K56 S62N54-K58 WeakPolarHBondContact O-CB 3.17Å; N54-K58 PolarHBondContact O-N 3.32Å; E55-K58 PolarHBondContact O-N 3.39Å; K56-K58 VanDerWaalsContact C-N 3.32Å; K56-K58 PolarHBondContact O-N 3.43Å; K58-S62 PolarHBondContact O-N 3Å; K58-S62 VanDerWaalsContact O-N 3.12Å
59E95.7Very high93.7Very high143 Ų14387.1 Ų87.167%0.66843%0.433SS*.Hα-helixtrans-61.6-51.6176.1-174.8-178.7178.600110.9E55 K56 W61 S62 T63E55-E59 PolarHBondContact O-N 2.91Å; E55-E59 VanDerWaalsContact O-N 3.14Å; K56-E59 PolarHBondContact O-N 2.86Å; E59-W61 PolarHBondContact O-N 3.33Å; E59-S62 PolarHBondContact O-N 2.94Å; E59-S62 PolarHBondContact O-OG 3.01Å; E59-T63 PolarHBondContact O-N 3.29Å; E59-T63 PolarHBondContact O-OG1 3.15Å
60F95.9Very high93.2Very high44 Ų4484.8 Ų84.819%0.19343%0.432CS..Hα-helixtrans-57.9-49.7177.1174-98.2000111.9I33 C37 A47 F51 K56 T57 S62 T63 Y64I33-F60 HydrophobicContact CD1-CE1 4.34Å; I33-F60 HydrophobicContact CG2-CE1 4.34Å; I33-F60 HydrophobicContact CG2-CE2 3.8Å; I33-F60 HydrophobicContact CG2-CZ 3.7Å; C37-F60 HydrophobicContact CB-CE1 3.91Å; C37-F60 HydrophobicContact CB-CZ 3.66Å; A47-F60 HydrophobicContact CB-CD1 4.32Å; A47-F60 HydrophobicContact CB-CE1 4.37Å; F51-F60 HydrophobicContact CE2-CB 3.64Å; F51-F60 AromaticContact CE2-CD1 3.76Å; F51-F60 HydrophobicContact CE2-CD1 3.76Å; F51-F60 HydrophobicContact CE2-CD2 4.13Å; F51-F60 HydrophobicContact CE2-CE1 4.46Å; F51-F60 AromaticContact CE2-CG 3.56Å; F51-F60 HydrophobicContact CE2-CG 3.56Å; F51-F60 HydrophobicContact CZ-CB 4.03Å; F51-F60 HydrophobicContact CZ-CD1 4.49Å; F51-F60 HydrophobicContact CZ-CD2 4.06Å; F51-F60 AromaticContact CZ-CG 3.93Å; F51-F60 HydrophobicContact CZ-CG 3.93Å; K56-F60 WeakPolarHBondContact O-CB 3.34Å; K56-F60 PolarHBondContact O-N 3.42Å; T57-F60 PolarHBondContact O-N 3.09Å; F60-S62 VanDerWaalsContact C-N 3.31Å; F60-S62 PolarHBondContact O-N 2.87Å; F60-T63 PolarHBondContact O-N 3.18Å; F60-T63 VanDerWaalsContact O-N 3.09Å; F60-Y64 HydrophobicContact CE1-CD2 4.5Å; F60-Y64 HydrophobicContact CE1-CG 4.25Å; F60-Y64 HydrophobicContact CZ-CD2 4.22Å; F60-Y64 HydrophobicContact CZ-CG 4.4Å; F60-Y64 WeakPolarHBondContact O-CB 3.47Å; F60-Y64 PolarHBondContact O-N 3.32Å
61W96.6Very high92.6Very high63 Ų6390 Ų9024%0.23945%0.453CS..Hα-helixtrans-60.8-38.8-176.5-171.5-106.3000112.7C42 T43 F44 A47 T57 E59 T63 Y64 T65C42-W61 WeakPolarHBondContact O-CH2 3.08Å; T43-W61 VanDerWaalsContact C-CH2 3.45Å; T43-W61 WeakPolarHBondContact O-CZ3 3.3Å; F44-W61 VanDerWaalsContact CA-CZ3 3.43Å; F44-W61 HydrophobicContact CB-CD2 4.06Å; F44-W61 HydrophobicContact CB-CE3 4.14Å; F44-W61 HydrophobicContact CB-CH2 3.95Å; F44-W61 HydrophobicContact CB-CZ2 3.8Å; F44-W61 HydrophobicContact CB-CZ3 4.1Å; F44-W61 HydrophobicContact CD2-CB 3.94Å; F44-W61 AromaticContact CD2-CD1 3.79Å; F44-W61 AromaticContact CD2-CD2 3.59Å; F44-W61 HydrophobicContact CD2-CD2 3.59Å; F44-W61 AromaticContact CD2-CE2 3.95Å; F44-W61 HydrophobicContact CD2-CE3 4.08Å; F44-W61 AromaticContact CD2-CG 3.51Å; F44-W61 HydrophobicContact CD2-CG 3.51Å; F44-W61 HydrophobicContact CE2-CB 4.1Å; F44-W61 HydrophobicContact CE2-CG 4.08Å; F44-W61 HydrophobicContact CG-CD2 4.32Å; A47-W61 HydrophobicContact CB-CE3 4.39Å; T57-W61 WeakPolarHBondContact O-CB 3.23Å; T57-W61 PolarHBondContact O-N 3.05Å; E59-W61 PolarHBondContact O-N 3.33Å; W61-T63 VanDerWaalsContact C-N 3.3Å; W61-T63 PolarHBondContact O-N 3.26Å; W61-Y64 HydrophobicContact CE3-CD1 4.1Å; W61-Y64 AromaticContact CZ3-CD1 3.97Å; W61-Y64 HydrophobicContact CZ3-CD1 3.97Å; W61-Y64 HydrophobicContact CZ3-CE1 4.21Å; W61-Y64 PolarHBondContact O-N 2.02Å; W61-T65 HydrophobicContact CD2-CG2 4.01Å; W61-T65 HydrophobicContact CG-CG2 4.23Å; W61-T65 HydrophobicContact CZ2-CG2 3.92Å; W61-T65 WeakPolarHBondContact O-CB 3.48Å; W61-T65 WeakPolarHBondContact O-CG2 3.38Å; W61-T65 PolarHBondContact O-N 3.46Å; W61-T65 PolarHBondContact O-OG1 2.9Å
62S95.2Very high91.9Very high68 Ų6890.2 Ų90.248%0.47646%0.462SS..Hα-helixtrans-62.1-38.7176.576.10000112.5K58 E59 F60 T65 K66K58-S62 PolarHBondContact O-N 3Å; K58-S62 VanDerWaalsContact O-N 3.12Å; E59-S62 PolarHBondContact O-N 2.94Å; E59-S62 PolarHBondContact O-OG 3.01Å; F60-S62 VanDerWaalsContact C-N 3.31Å; F60-S62 PolarHBondContact O-N 2.87Å; S62-T65 PolarHBondContact O-OG1 3.23Å; S62-K66 WeakPolarHBondContact O-CB 3.16Å; S62-K66 PolarHBondContact O-N 3.44Å
63T94.3Very high91Very high94 Ų9488 Ų8858%0.57746%0.455SS*.Hα-helixtrans-74.4-43177.9-58.30000110.7E59 F60 W61 K66 A67E59-T63 PolarHBondContact O-N 3.29Å; E59-T63 PolarHBondContact O-OG1 3.15Å; F60-T63 PolarHBondContact O-N 3.18Å; F60-T63 VanDerWaalsContact O-N 3.09Å; W61-T63 VanDerWaalsContact C-N 3.3Å; W61-T63 PolarHBondContact O-N 3.26Å; T63-K66 PolarHBondContact O-N 3.4Å; T63-A67 PolarHBondContact O-N 3.41Å
64Y94.6Very high90Very high23 Ų2394.4 Ų94.49%0.0947%0.474CS..Hα-helixtrans-60.2-52.7179.5-178.2-110.2000112.3C37 F41 C42 F60 W61 K66 A67 Q68C37-Y64 HydrophobicContact CB-CE2 4.37Å; C37-Y64 WeakPolarHBondContact O-CE2 3.48Å; C37-Y64 PolarHBondContact O-OH 3.22Å; F41-Y64 WeakPolarHBondContact CA-OH 3.43Å; F41-Y64 HydrophobicContact CD2-CE1 4.44Å; F41-Y64 WeakPolarHBondContact CD2-OH 3.43Å; F41-Y64 HydrophobicContact CE2-CE1 4.24Å; C42-Y64 PolarHBondContact N-OH 3Å; F60-Y64 HydrophobicContact CE1-CD2 4.5Å; F60-Y64 HydrophobicContact CE1-CG 4.25Å; F60-Y64 HydrophobicContact CZ-CD2 4.22Å; F60-Y64 HydrophobicContact CZ-CG 4.4Å; F60-Y64 WeakPolarHBondContact O-CB 3.47Å; F60-Y64 PolarHBondContact O-N 3.32Å; W61-Y64 HydrophobicContact CE3-CD1 4.1Å; W61-Y64 AromaticContact CZ3-CD1 3.97Å; W61-Y64 HydrophobicContact CZ3-CD1 3.97Å; W61-Y64 HydrophobicContact CZ3-CE1 4.21Å; W61-Y64 PolarHBondContact O-N 2.02Å; Y64-K66 VanDerWaalsContact C-N 3.33Å; Y64-K66 PolarHBondContact O-N 3Å; Y64-A67 WeakPolarHBondContact O-CB 3.21Å; Y64-A67 PolarHBondContact O-N 3.16Å; Y64-Q68 HydrophobicContact CD1-CG 4.46Å; Y64-Q68 HydrophobicContact CE1-CG 4.16Å; Y64-Q68 HydrophobicContact CE2-CG 4.3Å; Y64-Q68 WeakPolarHBondContact O-CG 2.94Å; Y64-Q68 PolarHBondContact O-N 2.66Å
65T93.3Very high88.9Confident56 Ų5690.1 Ų90.134%0.34446%0.456SS..Hα-helixtrans-63.4-36.8179.850.40000112.8W61 S62 Q68 Q69W61-T65 HydrophobicContact CD2-CG2 4.01Å; W61-T65 HydrophobicContact CG-CG2 4.23Å; W61-T65 HydrophobicContact CZ2-CG2 3.92Å; W61-T65 WeakPolarHBondContact O-CB 3.48Å; W61-T65 WeakPolarHBondContact O-CG2 3.38Å; W61-T65 PolarHBondContact O-N 3.46Å; W61-T65 PolarHBondContact O-OG1 2.9Å; S62-T65 PolarHBondContact O-OG1 3.23Å; T65-Q68 PolarHBondContact O-N 2.95Å; T65-Q69 WeakPolarHBondContact O-CB 3.27Å; T65-Q69 PolarHBondContact O-N 3.49Å
66K93.2Very high88Confident159 Ų15986.2 Ų86.269%0.69145%0.447SS*.Hα-helixtrans-64.6-41.1174.4-175.3179.3-180-179.40112.2S62 T63 Y64 G70S62-K66 WeakPolarHBondContact O-CB 3.16Å; S62-K66 PolarHBondContact O-N 3.44Å; T63-K66 PolarHBondContact O-N 3.4Å; Y64-K66 VanDerWaalsContact C-N 3.33Å; Y64-K66 PolarHBondContact O-N 3Å; K66-G70 PolarHBondContact O-N 2.92Å
67A89.6Confident87.4Confident61 Ų6185.1 Ų85.150%0.50445%0.447SS..Hα-helixtrans-62.9-45.8175.300000111.1T63 Y64 Q69 G70 E71T63-A67 PolarHBondContact O-N 3.41Å; Y64-A67 WeakPolarHBondContact O-CB 3.21Å; Y64-A67 PolarHBondContact O-N 3.16Å; A67-Q69 PolarHBondContact O-N 2.96Å; A67-G70 PolarHBondContact O-N 3.18Å; A67-E71 PolarHBondContact O-N 3.17Å
68Q87.1Confident86.7Confident63 Ų6390.6 Ų90.629%0.29447%0.467SS..Hα-helixtrans-61.2-44.3178-70.3-67.3-27.300112.6F41 Y64 T65 G70 E71 S72F41-Q68 HydrophobicContact CD2-CG 4.34Å; F41-Q68 HydrophobicContact CE2-CB 4.45Å; F41-Q68 HydrophobicContact CE2-CG 3.84Å; Y64-Q68 HydrophobicContact CD1-CG 4.46Å; Y64-Q68 HydrophobicContact CE1-CG 4.16Å; Y64-Q68 HydrophobicContact CE2-CG 4.3Å; Y64-Q68 WeakPolarHBondContact O-CG 2.94Å; Y64-Q68 PolarHBondContact O-N 2.66Å; T65-Q68 PolarHBondContact O-N 2.95Å; Q68-G70 VanDerWaalsContact C-N 3.31Å; Q68-G70 PolarHBondContact O-N 3.13Å; Q68-E71 PolarHBondContact O-N 3.05Å; Q68-S72 PolarHBondContact O-N 3.17Å; Q68-S72 PolarHBondContact O-OG 3.33Å
69Q84.8Confident86.2Confident130 Ų13088.5 Ų88.561%0.60746%0.458SS*.Hα-helixtrans-64.6-36.5175.8-171175.625.100112.1T65 A67 S72 N73T65-Q69 WeakPolarHBondContact O-CB 3.27Å; T65-Q69 PolarHBondContact O-N 3.49Å; A67-Q69 PolarHBondContact O-N 2.96Å; Q69-S72 PolarHBondContact O-OG 2.76Å; Q69-N73 PolarHBondContact O-N 3.34Å; Q69-N73 PolarHBondContact O-ND2 2.86Å; Q69-N73 VanDerWaalsContact O-ND2 3.13Å
70G82.6Confident85.8Confident36 Ų3687.7 Ų87.737%0.37146%0.455SS..Hα-helixtrans-63.9-40.6173.900000112.4K66 A67 Q68 R74K66-G70 PolarHBondContact O-N 2.92Å; A67-G70 PolarHBondContact O-N 3.18Å; Q68-G70 VanDerWaalsContact C-N 3.31Å; Q68-G70 PolarHBondContact O-N 3.13Å; G70-R74 WeakPolarHBondContact O-CG 3.12Å; G70-R74 PolarHBondContact O-N 3.02Å
71E81.8Confident85.6Confident129 Ų12990.8 Ų90.860%0.60347%0.468SS*.Hα-helixtrans-72.3-42.9179.3-172167.5179.300112.6A67 Q68 N73 R74 G75A67-E71 PolarHBondContact O-N 3.17Å; Q68-E71 PolarHBondContact O-N 3.05Å; E71-N73 VanDerWaalsContact C-N 3.26Å; E71-N73 PolarHBondContact O-N 3.19Å; E71-R74 PolarHBondContact O-N 3.09Å; E71-R74 VanDerWaalsContact O-N 3.09Å; E71-G75 PolarHBondContact O-N 3.43Å
72S78.2Confident85.3Confident69 Ų6995.5 Ų95.548%0.48349%0.487SS..Hα-helixtrans-59.4-38.2178.464.50000112.4Q68 Q69 G75 S76Q68-S72 PolarHBondContact O-N 3.17Å; Q68-S72 PolarHBondContact O-OG 3.33Å; Q69-S72 PolarHBondContact O-OG 2.76Å; S72-G75 PolarHBondContact O-N 2.88Å; S72-S76 PolarHBondContact O-N 2.62Å; S72-S76 VanDerWaalsContact O-N 3.13Å
73N74.4Confident85.1Confident97 Ų9798.6 Ų98.652%0.51950%0.498SS..Hα-helixtrans-63.8-43.6176.6-68.3-17.3000111.1Q69 E71 G75Q69-N73 PolarHBondContact O-N 3.34Å; Q69-N73 PolarHBondContact O-ND2 2.86Å; Q69-N73 VanDerWaalsContact O-ND2 3.13Å; E71-N73 VanDerWaalsContact C-N 3.26Å; E71-N73 PolarHBondContact O-N 3.19Å; N73-G75 VanDerWaalsContact C-N 3.34Å; N73-G75 PolarHBondContact O-N 3.06Å
74R73.6Confident85Confident199 Ų19996.9 Ų96.975%0.75149%0.487SS*.Hα-helixtrans-69.2-32.7178-64177.575.4149.55.5112.8G70 E71G70-R74 WeakPolarHBondContact O-CG 3.12Å; G70-R74 PolarHBondContact O-N 3.02Å; E71-R74 PolarHBondContact O-N 3.09Å; E71-R74 VanDerWaalsContact O-N 3.09Å
75G72.5Confident85Confident22 Ų22102.2 Ų102.223%0.22751%0.511CS..Hα-helixtrans-66.4-44.6177.300000112.5E71 S72 N73 D77 W78 F79E71-G75 PolarHBondContact O-N 3.43Å; S72-G75 PolarHBondContact O-N 2.88Å; N73-G75 VanDerWaalsContact C-N 3.34Å; N73-G75 PolarHBondContact O-N 3.06Å; G75-D77 VanDerWaalsContact C-N 3.34Å; G75-D77 PolarHBondContact O-N 3.38Å; G75-W78 PolarHBondContact O-NE1 3.45Å; G75-F79 WeakPolarHBondContact O-CD2 3.16Å
76S76.7Confident85.2Confident77 Ų77103.3 Ų103.354%0.53852%0.519SS..Hα-helixtrans-64.9-36.9-178.2-170.80000113.1S72 W78 F79 Q80S72-S76 PolarHBondContact O-N 2.62Å; S72-S76 VanDerWaalsContact O-N 3.13Å; S76-W78 VanDerWaalsContact C-N 3.31Å; S76-W78 PolarHBondContact O-N 3.49Å; S76-F79 PolarHBondContact O-N 3.29Å; S76-Q80 PolarHBondContact O-N 3.13Å
77D81.1Confident85.3Confident99 Ų99101.8 Ų101.853%0.52952%0.518SS..Hα-helixtrans-59.8-40.2-175.2-70.1-19.4000112.6G75 F81G75-D77 VanDerWaalsContact C-N 3.34Å; G75-D77 PolarHBondContact O-N 3.38Å; D77-F81 VanDerWaalsContact O-CD2 3.28Å; D77-F81 WeakPolarHBondContact O-CD2 3.4Å
78W83.2Confident85.6Confident114 Ų114103.4 Ų103.443%0.43252%0.517SS..Hα-helixtrans-72.1-40.8-177.372.8-102.6000111.9G75 S76 Q80 F81 Y82G75-W78 PolarHBondContact O-NE1 3.45Å; S76-W78 VanDerWaalsContact C-N 3.31Å; S76-W78 PolarHBondContact O-N 3.49Å; W78-Q80 PolarHBondContact O-N 2.84Å; W78-F81 WeakPolarHBondContact O-CB 3.28Å; W78-F81 PolarHBondContact O-N 3.43Å; W78-Y82 HydrophobicContact CD2-CD2 4.47Å; W78-Y82 HydrophobicContact CD2-CE2 4.21Å; W78-Y82 AromaticContact CE3-CD2 3.25Å; W78-Y82 HydrophobicContact CE3-CD2 3.25Å; W78-Y82 AromaticContact CE3-CE2 3.14Å; W78-Y82 HydrophobicContact CE3-CE2 3.14Å; W78-Y82 HydrophobicContact CE3-CG 4.34Å; W78-Y82 AromaticContact CZ3-CD2 3.54Å; W78-Y82 HydrophobicContact CZ3-CD2 3.54Å; W78-Y82 AromaticContact CZ3-CE2 3.5Å; W78-Y82 HydrophobicContact CZ3-CE2 3.5Å; W78-Y82 HydrophobicContact CZ3-CG 4.27Å; W78-Y82 VanDerWaalsContact O-CD2 3.24Å; W78-Y82 WeakPolarHBondContact O-CD2 3.46Å; W78-Y82 PolarHBondContact O-N 2.89Å
79F86.2Confident86.1Confident112 Ų112106.8 Ų106.849%0.49153%0.531SS..Hα-helixtrans-57.1-36.2178.6-75.6-71.4000112.3G75 S76 F81 Y82 L83G75-F79 WeakPolarHBondContact O-CD2 3.16Å; S76-F79 PolarHBondContact O-N 3.29Å; F79-F81 VanDerWaalsContact C-N 3.27Å; F79-F81 PolarHBondContact O-N 3.25Å; F79-Y82 PolarHBondContact O-N 2.73Å; F79-Y82 VanDerWaalsContact O-N 3.17Å; F79-L83 PolarHBondContact O-N 3.08Å; F79-L83 VanDerWaalsContact O-N 3.13Å
80Q87.3Confident86.7Confident126 Ų126102 Ų10259%0.58952%0.517SS*.Hα-helixtrans-57.6-40.5176.6-175.3167.7-59.700111.9S76 W78 L83 T84S76-Q80 PolarHBondContact O-N 3.13Å; W78-Q80 PolarHBondContact O-N 2.84Å; Q80-L83 PolarHBondContact O-N 3.35Å; Q80-T84 WeakPolarHBondContact O-CB 3.2Å; Q80-T84 PolarHBondContact O-N 3.41Å; Q80-T84 PolarHBondContact O-OG1 2.74Å
81F90.7Very high87.3Confident110 Ų110104.7 Ų104.748%0.48252%0.522SS..Hα-helixtrans-65.3-43.3176.4-66.5-58.6000112.3D77 W78 F79 L83 T84 F85D77-F81 VanDerWaalsContact O-CD2 3.28Å; D77-F81 WeakPolarHBondContact O-CD2 3.4Å; W78-F81 WeakPolarHBondContact O-CB 3.28Å; W78-F81 PolarHBondContact O-N 3.43Å; F79-F81 VanDerWaalsContact C-N 3.27Å; F79-F81 PolarHBondContact O-N 3.25Å; F81-L83 VanDerWaalsContact C-N 3.27Å; F81-L83 PolarHBondContact O-N 3.32Å; F81-T84 PolarHBondContact O-N 3.05Å; F81-F85 HydrophobicContact CB-CD2 3.77Å; F81-F85 HydrophobicContact CB-CE2 3.66Å; F81-F85 HydrophobicContact CD1-CD2 4.47Å; F81-F85 AromaticContact CD1-CE2 3.72Å; F81-F85 HydrophobicContact CD1-CE2 3.72Å; F81-F85 HydrophobicContact CD1-CZ 4.25Å; F81-F85 AromaticContact CG-CE2 3.98Å; F81-F85 HydrophobicContact CG-CE2 3.98Å; F81-F85 WeakPolarHBondContact O-CB 3.41Å; F81-F85 WeakPolarHBondContact O-CD2 3.07Å; F81-F85 PolarHBondContact O-N 3.16Å
82Y91.4Very high88.1Confident161 Ų161104 Ų10463%0.63152%0.518SS*.Hα-helixtrans-67.3-24.8179.5-72.3-92.9000113.8W78 F79 P86W78-Y82 HydrophobicContact CD2-CD2 4.47Å; W78-Y82 HydrophobicContact CD2-CE2 4.21Å; W78-Y82 AromaticContact CE3-CD2 3.25Å; W78-Y82 HydrophobicContact CE3-CD2 3.25Å; W78-Y82 AromaticContact CE3-CE2 3.14Å; W78-Y82 HydrophobicContact CE3-CE2 3.14Å; W78-Y82 HydrophobicContact CE3-CG 4.34Å; W78-Y82 AromaticContact CZ3-CD2 3.54Å; W78-Y82 HydrophobicContact CZ3-CD2 3.54Å; W78-Y82 AromaticContact CZ3-CE2 3.5Å; W78-Y82 HydrophobicContact CZ3-CE2 3.5Å; W78-Y82 HydrophobicContact CZ3-CG 4.27Å; W78-Y82 VanDerWaalsContact O-CD2 3.24Å; W78-Y82 WeakPolarHBondContact O-CD2 3.46Å; W78-Y82 PolarHBondContact O-N 2.89Å; F79-Y82 PolarHBondContact O-N 2.73Å; F79-Y82 VanDerWaalsContact O-N 3.17Å; Y82-P86 WeakPolarHBondContact O-CD 3.39Å; Y82-P86 WeakPolarHBondContact O-CG 3.32Å
83L90.4Very high89Confident133 Ų133104.3 Ų104.370%0.69651%0.513SS*.Hα-helixtrans-83.3-39.5172.6-64.9178.2000111.4F79 Q80 F81 L87F79-L83 PolarHBondContact O-N 3.08Å; F79-L83 VanDerWaalsContact O-N 3.13Å; Q80-L83 PolarHBondContact O-N 3.35Å; F81-L83 VanDerWaalsContact C-N 3.27Å; F81-L83 PolarHBondContact O-N 3.32Å; L83-L87 WeakPolarHBondContact O-CB 2.88Å
84T93Very high90.1Very high58 Ų58104.6 Ų104.636%0.35651%0.513SS..Hα-helixtrans-74.1-45.3-174.6-560000112.1Q80 F81 L87 I88Q80-T84 WeakPolarHBondContact O-CB 3.2Å; Q80-T84 PolarHBondContact O-N 3.41Å; Q80-T84 PolarHBondContact O-OG1 2.74Å; F81-T84 PolarHBondContact O-N 3.05Å; T84-L87 PolarHBondContact O-N 3.14Å; T84-I88 HydrophobicContact CG2-CD1 3.5Å; T84-I88 VanDerWaalsContact CG2-CD1 3.5Å; T84-I88 HydrophobicContact CG2-CG1 4.11Å; T84-I88 WeakPolarHBondContact O-CG1 3.36Å; T84-I88 PolarHBondContact O-N 3.16Å
85F95Very high91.2Very high136 Ų13699.6 Ų99.660%0.59650%0.501SS*.Hα-helixtrans-61.6-48.4-176.6-77.8-61.2000113.2F81 L87 I88 F89F81-F85 HydrophobicContact CB-CD2 3.77Å; F81-F85 HydrophobicContact CB-CE2 3.66Å; F81-F85 HydrophobicContact CD1-CD2 4.47Å; F81-F85 AromaticContact CD1-CE2 3.72Å; F81-F85 HydrophobicContact CD1-CE2 3.72Å; F81-F85 HydrophobicContact CD1-CZ 4.25Å; F81-F85 AromaticContact CG-CE2 3.98Å; F81-F85 HydrophobicContact CG-CE2 3.98Å; F81-F85 WeakPolarHBondContact O-CB 3.41Å; F81-F85 WeakPolarHBondContact O-CD2 3.07Å; F81-F85 PolarHBondContact O-N 3.16Å; F85-L87 VanDerWaalsContact C-N 3.3Å; F85-L87 PolarHBondContact O-N 3.14Å; F85-I88 PolarHBondContact O-N 2.85Å; F85-F89 WeakPolarHBondContact O-CB 3.11Å; F85-F89 PolarHBondContact O-N 3.4Å
86P96.2Very high92.3Very high79 Ų79102 Ų10251%0.51351%0.508SS..Hα-helixtrans-64.3-33.6176.6-24.937.6000113.3Y82 G90Y82-P86 WeakPolarHBondContact O-CD 3.39Å; Y82-P86 WeakPolarHBondContact O-CG 3.32Å; P86-G90 PolarHBondContact O-N 3.1Å
87L95.8Very high93.3Very high127 Ų127101.9 Ų101.967%0.66550%0.504SS*.Hα-helixtrans-68.9-48.5178.1-173.5143000111.5L83 T84 F85 G90 L91L83-L87 WeakPolarHBondContact O-CB 2.88Å; T84-L87 PolarHBondContact O-N 3.14Å; F85-L87 VanDerWaalsContact C-N 3.3Å; F85-L87 PolarHBondContact O-N 3.14Å; L87-G90 PolarHBondContact O-N 3.16Å; L87-L91 WeakPolarHBondContact O-CB 3.39Å; L87-L91 PolarHBondContact O-N 2.96Å
88I96.4Very high94Very high94 Ų94101.8 Ų101.848%0.48250%0.503SS..Hα-helixtrans-63.3-43.4175.2-66.4176.8000110.4T84 F85 L91 F92T84-I88 HydrophobicContact CG2-CD1 3.5Å; T84-I88 VanDerWaalsContact CG2-CD1 3.5Å; T84-I88 HydrophobicContact CG2-CG1 4.11Å; T84-I88 WeakPolarHBondContact O-CG1 3.36Å; T84-I88 PolarHBondContact O-N 3.16Å; F85-I88 PolarHBondContact O-N 2.85Å; I88-L91 PolarHBondContact O-N 3.22Å; I88-F92 WeakPolarHBondContact O-CB 3.24Å; I88-F92 PolarHBondContact O-N 2.7Å
89F96.6Very high94.7Very high134 Ų134100.8 Ų100.859%0.58850%0.501SS*.Hα-helixtrans-62.3-44.3178.3-177.4-99000111.8F85 F92 I93F85-F89 WeakPolarHBondContact O-CB 3.11Å; F85-F89 PolarHBondContact O-N 3.4Å; F89-F92 PolarHBondContact O-N 3.13Å; F89-I93 HydrophobicContact CD1-CG1 4.38Å; F89-I93 HydrophobicContact CE1-CG1 4Å; F89-I93 HydrophobicContact CZ-CD1 4.16Å; F89-I93 HydrophobicContact CZ-CG1 4.1Å; F89-I93 WeakPolarHBondContact O-CG1 3.31Å; F89-I93 PolarHBondContact O-N 3.33Å
90G97.1Very high95.1Very high30 Ų30100.2 Ų100.231%0.30950%0.503SS..Hα-helixtrans-60.3-45.5174.800000112.6P86 L87 F92 I93 I94P86-G90 PolarHBondContact O-N 3.1Å; L87-G90 PolarHBondContact O-N 3.16Å; G90-F92 VanDerWaalsContact C-N 3.35Å; G90-F92 PolarHBondContact O-N 3.17Å; G90-I93 PolarHBondContact O-N 2.67Å; G90-I94 WeakPolarHBondContact O-CG1 3.47Å; G90-I94 PolarHBondContact O-N 2.93Å; G90-I94 VanDerWaalsContact O-N 3.1Å
91L96.7Very high95.5Very high92 Ų9299.4 Ų99.448%0.48250%0.501SS..Hα-helixtrans-59-46.9174.3-161-154.1000110.8L87 I88 I93 I94 L95L87-L91 WeakPolarHBondContact O-CB 3.39Å; L87-L91 PolarHBondContact O-N 2.96Å; I88-L91 PolarHBondContact O-N 3.22Å; L91-I93 VanDerWaalsContact C-N 3.34Å; L91-I93 PolarHBondContact O-N 3.02Å; L91-I94 WeakPolarHBondContact O-CB 3.44Å; L91-I94 PolarHBondContact O-N 3.34Å; L91-I94 VanDerWaalsContact O-N 3.13Å; L91-L95 HydrophobicContact CD2-CD1 3.51Å; L91-L95 HydrophobicContact CD2-CD2 4.19Å; L91-L95 HydrophobicContact CD2-CG 3.48Å; L91-L95 VanDerWaalsContact CD2-CG 3.48Å; L91-L95 PolarHBondContact O-N 2.82Å
92F96.9Very high95.7Very high116 Ų116101.1 Ų101.151%0.50951%0.505SS..Hα-helixtrans-59.6-43-179.5-177.4-104.3000112.1I88 F89 G90 L95 L96I88-F92 WeakPolarHBondContact O-CB 3.24Å; I88-F92 PolarHBondContact O-N 2.7Å; F89-F92 PolarHBondContact O-N 3.13Å; G90-F92 VanDerWaalsContact C-N 3.35Å; G90-F92 PolarHBondContact O-N 3.17Å; F92-L95 PolarHBondContact O-N 2.87Å; F92-L96 HydrophobicContact CD1-CD1 3.89Å; F92-L96 HydrophobicContact CD1-CG 4.37Å; F92-L96 HydrophobicContact CE1-CD1 3.42Å; F92-L96 VanDerWaalsContact CE1-CD1 3.42Å; F92-L96 HydrophobicContact CE1-CG 4.04Å; F92-L96 HydrophobicContact CZ-CD1 3.94Å; F92-L96 HydrophobicContact CZ-CD2 4.33Å; F92-L96 HydrophobicContact CZ-CG 4.17Å; F92-L96 WeakPolarHBondContact O-CG 3.44Å; F92-L96 PolarHBondContact O-N 3.13Å
93I97.5Very high95.8Very high75 Ų75101.2 Ų101.239%0.38550%0.504SS..Hα-helixtrans-62.6-42.2174.7-66.8-60.5000111.6F89 G90 L91 L96 V97F89-I93 HydrophobicContact CD1-CG1 4.38Å; F89-I93 HydrophobicContact CE1-CG1 4Å; F89-I93 HydrophobicContact CZ-CD1 4.16Å; F89-I93 HydrophobicContact CZ-CG1 4.1Å; F89-I93 WeakPolarHBondContact O-CG1 3.31Å; F89-I93 PolarHBondContact O-N 3.33Å; G90-I93 PolarHBondContact O-N 2.67Å; L91-I93 VanDerWaalsContact C-N 3.34Å; L91-I93 PolarHBondContact O-N 3.02Å; I93-L96 HydrophobicContact CD1-CD1 4.44Å; I93-L96 PolarHBondContact O-N 3.39Å; I93-V97 WeakPolarHBondContact O-CG2 3.5Å; I93-V97 PolarHBondContact O-N 3.18Å
94I97.5Very high95.7Very high102 Ų10298.1 Ų98.152%0.52349%0.493SS..Hα-helixtrans-61.9-44.8176.7-67.5164.9000110.9G90 L91 L96 V97 I98G90-I94 WeakPolarHBondContact O-CG1 3.47Å; G90-I94 PolarHBondContact O-N 2.93Å; G90-I94 VanDerWaalsContact O-N 3.1Å; L91-I94 WeakPolarHBondContact O-CB 3.44Å; L91-I94 PolarHBondContact O-N 3.34Å; L91-I94 VanDerWaalsContact O-N 3.13Å; I94-L96 PolarHBondContact O-N 3.39Å; I94-V97 PolarHBondContact O-N 2.86Å; I94-I98 HydrophobicContact CG2-CD1 3.84Å; I94-I98 WeakPolarHBondContact O-CG1 3.33Å; I94-I98 PolarHBondContact O-N 3.41Å
95L96.9Very high95.4Very high95 Ų95101.3 Ų101.350%0.49750%0.502SS..Hα-helixtrans-63.8-39176.3-70.3178.7000112.3L91 F92 I98 F99L91-L95 HydrophobicContact CD2-CD1 3.51Å; L91-L95 HydrophobicContact CD2-CD2 4.19Å; L91-L95 HydrophobicContact CD2-CG 3.48Å; L91-L95 VanDerWaalsContact CD2-CG 3.48Å; L91-L95 PolarHBondContact O-N 2.82Å; F92-L95 PolarHBondContact O-N 2.87Å; L95-I98 PolarHBondContact O-N 3.5Å; L95-F99 WeakPolarHBondContact O-CB 3.33Å; L95-F99 PolarHBondContact O-N 3.34Å
96L96.6Very high94.8Very high73 Ų7398.2 Ų98.238%0.38249%0.491SS..Hα-helixtrans-62-43.8174.1-77179.6000111.6F92 I93 I94 F99 L100F92-L96 HydrophobicContact CD1-CD1 3.89Å; F92-L96 HydrophobicContact CD1-CG 4.37Å; F92-L96 HydrophobicContact CE1-CD1 3.42Å; F92-L96 VanDerWaalsContact CE1-CD1 3.42Å; F92-L96 HydrophobicContact CE1-CG 4.04Å; F92-L96 HydrophobicContact CZ-CD1 3.94Å; F92-L96 HydrophobicContact CZ-CD2 4.33Å; F92-L96 HydrophobicContact CZ-CG 4.17Å; F92-L96 WeakPolarHBondContact O-CG 3.44Å; F92-L96 PolarHBondContact O-N 3.13Å; I93-L96 HydrophobicContact CD1-CD1 4.44Å; I93-L96 PolarHBondContact O-N 3.39Å; I94-L96 PolarHBondContact O-N 3.39Å; L96-F99 PolarHBondContact O-N 3.37Å; L96-L100 WeakPolarHBondContact O-CB 3.11Å; L96-L100 VanDerWaalsContact O-CG 3.23Å; L96-L100 WeakPolarHBondContact O-CG 3.43Å; L96-L100 PolarHBondContact O-N 3.32Å
97V97.3Very high94.2Very high74 Ų74103.2 Ų103.245%0.44850%0.5SS..Hα-helixtrans-63.6-46176.9172.90000111I93 I94 F99 L100 I101I93-V97 WeakPolarHBondContact O-CG2 3.5Å; I93-V97 PolarHBondContact O-N 3.18Å; I94-V97 PolarHBondContact O-N 2.86Å; V97-F99 VanDerWaalsContact C-N 3.31Å; V97-F99 PolarHBondContact O-N 3.26Å; V97-L100 PolarHBondContact O-N 3.44Å; V97-I101 HydrophobicContact CG1-CD1 3.78Å; V97-I101 HydrophobicContact CG1-CG1 4.42Å; V97-I101 VanDerWaalsContact O-CG1 3.28Å; V97-I101 WeakPolarHBondContact O-CG1 3.39Å; V97-I101 PolarHBondContact O-N 3.29Å
98I96.2Very high93Very high97 Ų97100.7 Ų100.750%0.49749%0.487SS..Hα-helixtrans-60.1-43.5175.4-68.4168.2000110.5I94 L95 I101 W102I94-I98 HydrophobicContact CG2-CD1 3.84Å; I94-I98 WeakPolarHBondContact O-CG1 3.33Å; I94-I98 PolarHBondContact O-N 3.41Å; L95-I98 PolarHBondContact O-N 3.5Å; I98-I101 PolarHBondContact O-N 3.48Å; I98-W102 WeakPolarHBondContact O-CB 3.2Å; I98-W102 PolarHBondContact O-N 3.43Å
99F96.5Very high91.8Very high93 Ų93102.8 Ų102.841%0.40849%0.493SS..Hα-helixtrans-63.6-40.7177.2178.1-97.3000112L95 L96 V97 W102 R103L95-F99 WeakPolarHBondContact O-CB 3.33Å; L95-F99 PolarHBondContact O-N 3.34Å; L96-F99 PolarHBondContact O-N 3.37Å; V97-F99 VanDerWaalsContact C-N 3.31Å; V97-F99 PolarHBondContact O-N 3.26Å; F99-W102 AromaticContact CD2-CE3 3.76Å; F99-W102 HydrophobicContact CD2-CE3 3.76Å; F99-W102 HydrophobicContact CD2-CZ3 4.02Å; F99-W102 HydrophobicContact CE2-CE3 4.03Å; F99-W102 AromaticContact CE2-CZ3 3.96Å; F99-W102 HydrophobicContact CE2-CZ3 3.96Å; F99-W102 PolarHBondContact O-N 3.13Å; F99-R103 WeakPolarHBondContact O-CB 3.4Å; F99-R103 PolarHBondContact O-N 2.96Å
100L95.1Very high90.3Very high100 Ų100100.7 Ų100.752%0.52449%0.491SS..Hα-helixtrans-66.3-41.9175.2-70.9174.9000111.6L96 V97 R103 C104L96-L100 WeakPolarHBondContact O-CB 3.11Å; L96-L100 VanDerWaalsContact O-CG 3.23Å; L96-L100 WeakPolarHBondContact O-CG 3.43Å; L96-L100 PolarHBondContact O-N 3.32Å; V97-L100 PolarHBondContact O-N 3.44Å; L100-R103 PolarHBondContact O-N 2.92Å; L100-C104 WeakPolarHBondContact O-CB 3.43Å; L100-C104 PolarHBondContact O-N 2.86Å; L100-C104 PolarHBondContact O-SG 3.14Å
101I94.7Very high88.7Confident108 Ų108108.2 Ų108.255%0.55451%0.51SS*.Hα-helixtrans-63.4-45.6174-67.7165.8000110.1V97 I98 R103 C104 F105V97-I101 HydrophobicContact CG1-CD1 3.78Å; V97-I101 HydrophobicContact CG1-CG1 4.42Å; V97-I101 VanDerWaalsContact O-CG1 3.28Å; V97-I101 WeakPolarHBondContact O-CG1 3.39Å; V97-I101 PolarHBondContact O-N 3.29Å; I98-I101 PolarHBondContact O-N 3.48Å; I101-R103 PolarHBondContact O-N 3.48Å; I101-C104 CarbonylContact O-C 3Å; I101-C104 WeakPolarHBondContact O-CB 3.34Å; I101-C104 PolarHBondContact O-N 2.87Å; I101-F105 VanDerWaalsContact O-CB 3.26Å; I101-F105 WeakPolarHBondContact O-CB 3.44Å; I101-F105 PolarHBondContact O-N 2.89Å
102W95.3Very high87Confident146 Ų146112.2 Ų112.255%0.55352%0.519SS*.Hα-helixtrans-60.9-45.2176.8-18050.3000111.1I98 F99 F105 L106I98-W102 WeakPolarHBondContact O-CB 3.2Å; I98-W102 PolarHBondContact O-N 3.43Å; F99-W102 AromaticContact CD2-CE3 3.76Å; F99-W102 HydrophobicContact CD2-CE3 3.76Å; F99-W102 HydrophobicContact CD2-CZ3 4.02Å; F99-W102 HydrophobicContact CE2-CE3 4.03Å; F99-W102 AromaticContact CE2-CZ3 3.96Å; F99-W102 HydrophobicContact CE2-CZ3 3.96Å; F99-W102 PolarHBondContact O-N 3.13Å; W102-F105 CarbonylContact O-C 3.58Å; W102-F105 PolarHBondContact O-N 2.8Å; W102-L106 VanDerWaalsContact CD1-CD1 3.41Å; W102-L106 HydrophobicContact CD2-CD2 4.21Å; W102-L106 HydrophobicContact CG-CD1 4.32Å; W102-L106 HydrophobicContact CZ2-CD2 3.72Å; W102-L106 WeakPolarHBondContact O-CB 3.21Å; W102-L106 PolarHBondContact O-N 2.93Å
103R94Very high85.1Confident163 Ų163112.6 Ų112.662%0.61552%0.522SS*.Hα-helixtrans-64.4-42175.2-173.7178.1177.6161.70.8111.8F99 L100 I101 F105 R107F99-R103 WeakPolarHBondContact O-CB 3.4Å; F99-R103 PolarHBondContact O-N 2.96Å; L100-R103 PolarHBondContact O-N 2.92Å; I101-R103 PolarHBondContact O-N 3.48Å; R103-F105 VanDerWaalsContact C-N 3.3Å; R103-F105 PolarHBondContact O-N 2.82Å; R103-R107 VanDerWaalsContact O-CB 3.23Å; R103-R107 WeakPolarHBondContact O-CB 3.23Å; R103-R107 PolarHBondContact O-N 3.36Å
104C88.5Confident83.2Confident69 Ų69114 Ų11447%0.46654%0.535SS..Hα-helixtrans-61.2-40.9173.1-79.40000111.1L100 I101 N108L100-C104 WeakPolarHBondContact O-CB 3.43Å; L100-C104 PolarHBondContact O-N 2.86Å; L100-C104 PolarHBondContact O-SG 3.14Å; I101-C104 CarbonylContact O-C 3Å; I101-C104 WeakPolarHBondContact O-CB 3.34Å; I101-C104 PolarHBondContact O-N 2.87Å; C104-N108 WeakPolarHBondContact O-CB 3.28Å; C104-N108 PolarHBondContact O-N 3Å
105F87.1Confident81.3Confident124 Ų124114.5 Ų114.554%0.54454%0.542SS..Hα-helixtrans-73.2-40.8179.6-170.2-98.1000112.4I101 W102 R103 N108 K109I101-F105 VanDerWaalsContact O-CB 3.26Å; I101-F105 WeakPolarHBondContact O-CB 3.44Å; I101-F105 PolarHBondContact O-N 2.89Å; W102-F105 CarbonylContact O-C 3.58Å; W102-F105 PolarHBondContact O-N 2.8Å; R103-F105 VanDerWaalsContact C-N 3.3Å; R103-F105 PolarHBondContact O-N 2.82Å; F105-N108 CarbonylContact O-C 3.54Å; F105-N108 WeakPolarHBondContact O-CA 3.19Å; F105-N108 WeakPolarHBondContact O-CB 3.26Å; F105-N108 PolarHBondContact O-N 2.85Å; F105-N108 VanDerWaalsContact O-N 3.13Å; F105-K109 HydrophobicContact CE1-CD 4.49Å; F105-K109 WeakPolarHBondContact O-CB 3.48Å; F105-K109 PolarHBondContact O-N 2.85Å
106L82.2Confident79.3Confident72 Ų72116 Ų11638%0.37756%0.555SS.*Hα-helixtrans-64-44174.1-101.352.3000111.1W102 N108 K109 T110W102-L106 VanDerWaalsContact CD1-CD1 3.41Å; W102-L106 HydrophobicContact CD2-CD2 4.21Å; W102-L106 HydrophobicContact CG-CD1 4.32Å; W102-L106 HydrophobicContact CZ2-CD2 3.72Å; W102-L106 WeakPolarHBondContact O-CB 3.21Å; W102-L106 PolarHBondContact O-N 2.93Å; L106-N108 PolarHBondContact O-N 3.42Å; L106-K109 PolarHBondContact O-N 3.34Å; L106-K109 VanDerWaalsContact O-N 3.16Å; L106-T110 PolarHBondContact O-N 3.39Å; L106-T110 PolarHBondContact O-OG1 3.4Å; L106-T110 VanDerWaalsContact O-OG1 3.08Å
107R83Confident76.9Confident183 Ų183119 Ų11969%0.69157%0.567SS**Hα-helixtrans-59.3-37.3171.7-173.5178.169.1170.70.2111.6R103 T110 R111R103-R107 VanDerWaalsContact O-CB 3.23Å; R103-R107 WeakPolarHBondContact O-CB 3.23Å; R103-R107 PolarHBondContact O-N 3.36Å; R107-T110 PolarHBondContact O-OG1 3.28Å; R107-T110 VanDerWaalsContact O-OG1 3.07Å; R107-R111 PolarHBondContact O-N 3.34Å
108N71.6Confident74.2Confident75 Ų75118.4 Ų118.440%0.40158%0.576SS.*Hα-helixtrans-70.2-37.3176.4-166.620.8000112C104 F105 L106 R111 R112C104-N108 WeakPolarHBondContact O-CB 3.28Å; C104-N108 PolarHBondContact O-N 3Å; F105-N108 CarbonylContact O-C 3.54Å; F105-N108 WeakPolarHBondContact O-CA 3.19Å; F105-N108 WeakPolarHBondContact O-CB 3.26Å; F105-N108 PolarHBondContact O-N 2.85Å; F105-N108 VanDerWaalsContact O-N 3.13Å; L106-N108 PolarHBondContact O-N 3.42Å; N108-R111 PolarHBondContact O-N 2.85Å; N108-R112 PolarHBondContact O-N 3.48Å; N108-R112 VanDerWaalsContact O-N 3.11Å
109K70.8Confident71.7Confident138 Ų138121.9 Ų121.960%0.659%0.59SS**Hα-helixtrans-72.3-38.1180-165163.5178.8169.50112.4F105 L106 R111 R112 Q113F105-K109 HydrophobicContact CE1-CD 4.49Å; F105-K109 WeakPolarHBondContact O-CB 3.48Å; F105-K109 PolarHBondContact O-N 2.85Å; L106-K109 PolarHBondContact O-N 3.34Å; L106-K109 VanDerWaalsContact O-N 3.16Å; K109-R111 VanDerWaalsContact C-N 3.29Å; K109-R111 PolarHBondContact O-N 2.91Å; K109-R112 PolarHBondContact O-N 3.13Å; K109-Q113 PolarHBondContact O-N 3.1Å
110T64.2Low69.2Low90 Ų90123.6 Ų123.655%0.55260%0.602SS**Hα-helixtrans-64.1-34.517245.70000112.1L106 R107L106-T110 PolarHBondContact O-N 3.39Å; L106-T110 PolarHBondContact O-OG1 3.4Å; L106-T110 VanDerWaalsContact O-OG1 3.08Å; R107-T110 PolarHBondContact O-OG1 3.28Å; R107-T110 VanDerWaalsContact O-OG1 3.07Å
111R63.8Low66.6Low188 Ų188124.2 Ų124.271%0.70961%0.612SS**Hα-helixtrans-72.1-30175.3-155.9-178.7-169.6-93.51.5113.7R107 N108 K109 T114R107-R111 PolarHBondContact O-N 3.34Å; N108-R111 PolarHBondContact O-N 2.85Å; K109-R111 VanDerWaalsContact C-N 3.29Å; K109-R111 PolarHBondContact O-N 2.91Å; R111-T114 PolarHBondContact O-OG1 3.26Å
112R61.7Low63.7Low175 Ų175128.4 Ų128.466%0.6663%0.627SS**Hα-helixtrans-73.7-35.7177.1-75.4-174.2173.7-153-3.2112.4N108 K109 V115 T116N108-R112 PolarHBondContact O-N 3.48Å; N108-R112 VanDerWaalsContact O-N 3.11Å; K109-R112 PolarHBondContact O-N 3.13Å; R112-V115 PolarHBondContact O-N 3.38Å; R112-T116 PolarHBondContact O-N 3Å; R112-T116 PolarHBondContact O-OG1 2.93Å
113Q57.4Low61.1Low124 Ų124126 Ų12658%0.57963%0.63SS**Hα-helixtrans-67.9-39.3-179.9-165.6171.5-8.300112.3K109 V115 T116 E117K109-Q113 PolarHBondContact O-N 3.1Å; Q113-V115 VanDerWaalsContact C-N 3.26Å; Q113-V115 PolarHBondContact O-N 3.48Å; Q113-T116 PolarHBondContact O-N 2.92Å; Q113-T116 VanDerWaalsContact O-N 3.14Å; Q113-E117 PolarHBondContact O-N 3.27Å; Q113-E117 VanDerWaalsContact O-N 3.09Å
114T57.9Low58.4Low105 Ų105126.3 Ų126.364%0.64464%0.638SS**Hα-helixtrans-69.6-17-179.958.30000114.7R111R111-T114 PolarHBondContact O-OG1 3.26Å
115V56.6Low56.1Low112 Ų112130.8 Ų130.868%0.67965%0.652SS**Hα-helixtrans-90.3-25.7173.6-179.20000111.3R112 Q113R112-V115 PolarHBondContact O-N 3.38Å; Q113-V115 VanDerWaalsContact C-N 3.26Å; Q113-V115 PolarHBondContact O-N 3.48Å
116T55Low54Low126 Ų126132.7 Ų132.777%0.77367%0.667SS**Hα-helixtrans-83.1-20.2178.3-28.90000111.8R112 Q113R112-T116 PolarHBondContact O-N 3Å; R112-T116 PolarHBondContact O-OG1 2.93Å; Q113-T116 PolarHBondContact O-N 2.92Å; Q113-T116 VanDerWaalsContact O-N 3.14Å
117E45.9Very low51.9Low137 Ų137135 Ų13564%0.6468%0.68SS**THydrogen-bonded Turntrans-104.650.3176-152.7150.2179.300111.1Q113 H119Q113-E117 PolarHBondContact O-N 3.27Å; Q113-E117 VanDerWaalsContact O-N 3.09Å; E117-H119 PolarHBondContact O-N 3.49Å
118G39.9Very low49.6Very low62 Ų62133.5 Ų133.564%0.63968%0.684SS**  trans-6962.8149.800000109.6I120G118-I120 VanDerWaalsContact C-N 3.3Å; G118-I120 PolarHBondContact O-N 3.29Å
119H45.2Very low48.2Very low169 Ų169137.3 Ų137.378%0.78270%0.703SS**  trans-80.392.2159.7-154.570.4000106.5E117E117-H119 PolarHBondContact O-N 3.49Å
120I42.8Very low46.5Very low130 Ų130136.8 Ų136.867%0.66771%0.711SS**  trans-51.8122.5171.5-63.5-169.3000108G118 F122G118-I120 VanDerWaalsContact C-N 3.3Å; G118-I120 PolarHBondContact O-N 3.29Å; I120-F122 PolarHBondContact O-N 2.97Å
121P40.7Very low45.6Very low112 Ų112137.5 Ų137.573%0.72772%0.718SS**  trans-70.2106.9167.1410.6000106.2P123P121-P123 WeakPolarHBondContact O-CD 3.21Å
122F34.7Very low44.3Very low197 Ų197134.3 Ų134.386%0.86472%0.721SS**  trans-62.3114.1171.2-143.6-89.6000108.5I120I120-F122 PolarHBondContact O-N 2.97Å
123P39.9Very low43.1Very low96 Ų96131.6 Ų131.662%0.62373%0.726SS**  trans-104.8126.4165.912.411.9000108.8P121P121-P123 WeakPolarHBondContact O-CD 3.21Å
124Q38.5Very low42.9Very low168 Ų168131 Ų13179%0.78573%0.733SS**  trans79.295.1144.8-56.6175.1-11.700115.9L126Q124-L126 PolarHBondContact O-N 2.75Å; Q124-L126 VanDerWaalsContact O-N 3.17Å
125H39.9Very low41.9Very low163 Ų163131.1 Ų131.176%0.75574%0.735SS**  20.290.8122.4171.3-83.2000113.7
126L43.3Very low40.8Very low165 Ų165132.3 Ų132.386%0.86474%0.738SS**  trans-129.796.9161.9-145.975.2000108.5Q124Q124-L126 PolarHBondContact O-N 2.75Å; Q124-L126 VanDerWaalsContact O-N 3.17Å
127N37.9Very low39.9Very low119 Ų119135.4 Ų135.464%0.63674%0.744SS**  trans17.4113.3152.9-75.1-4.3000118.2I129N127-I129 PolarHBondContact O-N 3.33Å
128I33.7Very low39.1Very low153 Ų153135.3 Ų135.379%0.78575%0.752SS**  6.1111.2118.8-63.9157.7000113.6
129I42.2Very low39.2Very low154 Ų154142.3 Ų142.379%0.7977%0.766SS**  -157.7107.5117.2-84.7147.3000105.3N127 P131N127-I129 PolarHBondContact O-N 3.33Å; I129-P131 WeakPolarHBondContact O-CD 3.36Å
130T34.8Very low38.6Very low128 Ų128141 Ų14179%0.78576%0.764SS**PPolyproline II helixtrans-80.1119.7169-55.90000108.4
131P45.7Very low38.3Very low105 Ų105139.8 Ų139.868%0.68277%0.767SS**PPolyproline II helixtrans-87.4151155.514.63.5000109.9I129I129-P131 WeakPolarHBondContact O-CD 3.36Å
132P36.1Very low37.9Very low120 Ų120139.6 Ų139.678%0.77977%0.768SS**PPolyproline II helixtrans-81.5162.2-165.434.2-35.4000113.6
133P36.3Very low37.7Very low118 Ų118133.5 Ų133.577%0.76676%0.762SS**  trans-102.7-168.3-177.846-37.3000111.8
134P54.8Low37.5Very low113 Ų113138 Ų13873%0.73478%0.779SS**  -112.8-171.6-103.332.2-9.8000112.4
135P36.9Very low37.2Very low106 Ų106135.6 Ų135.669%0.68878%0.781SS**  -145147.2114.122.3-0.3000116.2
136D32.1Very low37Very low137 Ų137133.9 Ų133.973%0.73378%0.784SS**  trans48.1119.9135.4-43.5-34.4000120.6
137E36.2Very low36.7Very low192 Ų192129.9 Ų129.990%0.89778%0.783SS**  trans-165.9136.8131.4-60.3-57.5148.700109.1
138V30.4Very low36.6Very low134 Ų134134 Ų13481%0.81280%0.796SS**  trans-79.2142.9-177.5-72.80000113.3
139F41.1Very low36.6Very low210 Ų210133.2 Ų133.292%0.92179%0.793SS**  trans-163.3132.4141.4-145.1-109.1000114.4
140D32.5Very low36.3Very low140 Ų140129.4 Ų129.475%0.74979%0.791SS**  trans-78.7145.9-179.6-124.5-36.5000112.4
141S36.4Very low36.1Very low106 Ų106132.7 Ų132.774%0.74179%0.79SS**  trans-170105141.3-159.80000113.2
142S32.4Very low35.8Very low107 Ų107134.2 Ų134.275%0.74880%0.798SS**  48.6110.4121.5-41.70000121.1
143G29.8Very low35.7Very low70 Ų70135.7 Ų135.772%0.72280%0.804SS**  97115.8116.800000118.2
144L36.9Very low35.5Very low189 Ų189133.3 Ų133.399%0.9980%0.801SS**  -166.7144.6118.2-117.388.7000110.9
145S31.5Very low34.7Very low118 Ų118138.2 Ų138.283%0.82581%0.805SS**  trans-80.2151.5-158.7-160.10000116
146P36.8Very low34.7Very low127 Ų127138.7 Ų138.783%0.82581%0.81SS**  trans-94.8132.9173416.9000113.1
147G36.7Very low34.8Very low82 Ų82137.5 Ų137.585%0.84580%0.804SS**  trans-139.9107.1176.800000112.3
148F35.1Very low34.9Very low204 Ų204133.2 Ų133.290%0.89580%0.795SS**  trans-77.8147.3-170.4-171.1113.7000113.2
149L34.2Very low35.3Very low138 Ų138132.8 Ų132.872%0.72379%0.793SS**  trans-67.2121.4-177-138.9-165.1000113
150G36.2Very low35.3Very low73 Ų73127.9 Ų127.975%0.75378%0.784SS**  trans-105.8105.3169.900000111.6
151Y30.5Very low35.7Very low197 Ų197127.2 Ų127.277%0.77379%0.786SS**  trans-87.5134.2166.661.2-79.4000108.8
152V39.5Very low36.4Very low138 Ų138133.3 Ų133.384%0.83679%0.792SS**  trans-149.2113.9147.3-1780000108
153V34Very low37.1Very low151 Ų151136.7 Ų136.792%0.91580%0.801SS**  trans-97.9133.4160171.10000106.4
154G30.7Very low38.1Very low67 Ų67138.5 Ų138.569%0.69180%0.803SS**  trans167.4107.7166.100000113.7
155R37.9Very low38.5Very low216 Ų216136.6 Ų136.682%0.81579%0.794SS**  158.5111.6104.1-166.9162.8-165.7114.88.2110.6D157R155-D157 IonicContact CZ-OD2 3.25Å; R155-D157 VanDerWaalsContact CZ-OD2 3.23Å; R155-D157 IonicContact NE-OD2 3.11Å; R155-D157 PolarHBondContact NE-OD2 3.24Å; R155-D157 VanDerWaalsContact NE-OD2 3.08Å; R155-D157 IonicContact NH2-OD2 2.63Å; R155-D157 PolarHBondContact NH2-OD2 2.83Å
156S37Very low40Very low116 Ų116137 Ų13781%0.81180%0.795SS**  trans-101.9124.6156.8-59.80000106.7
157D34.7Very low41.7Very low113 Ų113138.1 Ų138.160%0.60479%0.794SS**  trans-173.1139.8166.9-78-34.1000103.5R155R155-D157 IonicContact CZ-OD2 3.25Å; R155-D157 VanDerWaalsContact CZ-OD2 3.23Å; R155-D157 IonicContact NE-OD2 3.11Å; R155-D157 PolarHBondContact NE-OD2 3.24Å; R155-D157 VanDerWaalsContact NE-OD2 3.08Å; R155-D157 IonicContact NH2-OD2 2.63Å; R155-D157 PolarHBondContact NH2-OD2 2.83Å
158S39.6Very low43.5Very low101 Ų101139.5 Ų139.571%0.70679%0.788SS**  cis-178.4145.420.7370000108.7
159V37.2Very low45.2Very low125 Ų125135.2 Ų135.276%0.75878%0.78SS**  trans56.6104.7131.3-174.50000118.2
160S42.5Very low47.1Very low107 Ų107132.9 Ų132.975%0.74877%0.774SS**  62.194.989.8-171.90000115.2
161T40.9Very low49.1Very low126 Ų126133.8 Ų133.877%0.77377%0.765SS**  trans-15219.8165.3-26.10000116
162R50.4Low51.2Low234 Ų234133 Ų13388%0.88376%0.762SS**  trans-136.225.9-174.7-74.8-65.2-177.9161.7-1.1118
163L46.8Very low53Low179 Ų179133 Ų13394%0.93775%0.753SS**  trans-123.872.8165.3-68.4170.3000109.2
164S51Low55.4Low107 Ų107133.2 Ų133.275%0.74874%0.744SS**  trans-123.658.2174177.30000109
165N45.8Very low57.7Low150 Ų150133.8 Ų133.880%0.80274%0.742SS**  trans-141.476.4170.9-67.268.6000106.7
166C62Low59.4Low126 Ų126126.7 Ų126.785%0.85172%0.722SS**  trans-95.8109.2166.3-70.20000106.4
167D73.2Confident60.6Low151 Ų151123.7 Ų123.781%0.80771%0.71SS**PPolyproline II helixtrans-61.3136172.2-67.4-46.3000109.4
168P73.6Confident61.7Low110 Ų110126.3 Ų126.371%0.71472%0.719SS**PPolyproline II helixtrans-65.4155.5179.627.1-33.5000111.5
169P71.5Confident62.6Low114 Ų114127.5 Ų127.574%0.7472%0.722SS**PPolyproline II helixtrans-62.5151.9-179.127.5-35.3000112
170P73.4Confident62.7Low90 Ų90128.7 Ų128.758%0.58472%0.724SS**PPolyproline II helixtrans-63.7145.6-177.926.7-34.5000111.9
171T79.3Confident62.7Low92 Ų92131 Ų13156%0.56473%0.727SS**PPolyproline II helixtrans-70.2148.7-179.8-47.50000110.9E173 E174 A175T171-E173 VanDerWaalsContact C-N 3.27Å; T171-E173 WeakPolarHBondContact CG2-OE2 3.23Å; T171-E173 PolarHBondContact O-N 3.43Å; T171-E173 VanDerWaalsContact O-N 3.16Å; T171-E174 VanDerWaalsContact O-CB 3.32Å; T171-E174 WeakPolarHBondContact O-CB 3.5Å; T171-E174 PolarHBondContact O-N 2.76Å; T171-A175 PolarHBondContact O-N 3.08Å
172Y73.4Confident62.6Low181 Ų181133.6 Ų133.671%0.7173%0.73SS**Hα-helixtrans-50.9-40.3-174.6-175-93.5000113.7E174 A175 T176Y172-E174 VanDerWaalsContact C-N 3.28Å; Y172-E174 PolarHBondContact O-N 2.72Å; Y172-A175 PolarHBondContact O-N 3.43Å; Y172-A175 VanDerWaalsContact O-N 3.14Å; Y172-T176 HydrophobicContact CD1-CG2 4.37Å; Y172-T176 HydrophobicContact CE1-CG2 3.92Å; Y172-T176 HydrophobicContact CE2-CG2 4.17Å; Y172-T176 PolarHBondContact O-N 3.31Å; Y172-T176 VanDerWaalsContact O-N 3.14Å; Y172-T176 PolarHBondContact O-OG1 2.8Å
173E79Confident62.3Low138 Ų138133.4 Ų133.465%0.64573%0.729SS**Hα-helixtrans-65-30178.6-62.2100.9157.800113.4T171 A175 G177T171-E173 VanDerWaalsContact C-N 3.27Å; T171-E173 WeakPolarHBondContact CG2-OE2 3.23Å; T171-E173 PolarHBondContact O-N 3.43Å; T171-E173 VanDerWaalsContact O-N 3.16Å; E173-A175 VanDerWaalsContact C-N 3.34Å; E173-G177 PolarHBondContact O-N 2.86Å
174E83.6Confident62Low154 Ų154129.8 Ų129.872%0.7272%0.719SS**Hα-helixtrans-70.5-33.2175.6-168.8177.714700111.3T171 Y172T171-E174 VanDerWaalsContact O-CB 3.32Å; T171-E174 WeakPolarHBondContact O-CB 3.5Å; T171-E174 PolarHBondContact O-N 2.76Å; Y172-E174 VanDerWaalsContact C-N 3.28Å; Y172-E174 PolarHBondContact O-N 2.72Å
175A78.1Confident61.3Low79 Ų79133.7 Ų133.765%0.65373%0.725SS**Hα-helixtrans-79.3-30.8-179.300000113.6T171 Y172 E173T171-A175 PolarHBondContact O-N 3.08Å; Y172-A175 PolarHBondContact O-N 3.43Å; Y172-A175 VanDerWaalsContact O-N 3.14Å; E173-A175 VanDerWaalsContact C-N 3.34Å
176T74.5Confident61.1Low67 Ų67132.5 Ų132.541%0.41172%0.724SS.*Hα-helixtrans-99.6-2.2-174.357.80000114.7Y172 Q178Y172-T176 HydrophobicContact CD1-CG2 4.37Å; Y172-T176 HydrophobicContact CE1-CG2 3.92Å; Y172-T176 HydrophobicContact CE2-CG2 4.17Å; Y172-T176 PolarHBondContact O-N 3.31Å; Y172-T176 VanDerWaalsContact O-N 3.14Å; Y172-T176 PolarHBondContact O-OG1 2.8Å; T176-Q178 VanDerWaalsContact C-N 3.3Å; T176-Q178 PolarHBondContact O-N 2.76Å; T176-Q178 VanDerWaalsContact O-N 3.1Å
177G61.5Low59.9Low54 Ų54134.7 Ų134.756%0.55772%0.722SS**  trans55.137.1161.700000115.3E173 V179E173-G177 PolarHBondContact O-N 2.86Å; G177-V179 PolarHBondContact O-N 3.49Å
178Q58.7Low58.5Low168 Ų168132.5 Ų132.579%0.78572%0.716SS**  trans-66.196.7175.4-102.4178.4-37.700109.8T176 N180T176-Q178 VanDerWaalsContact C-N 3.3Å; T176-Q178 PolarHBondContact O-N 2.76Å; T176-Q178 VanDerWaalsContact O-N 3.1Å; Q178-N180 PolarHBondContact O-N 3.42Å
179V57.9Low57.6Low126 Ų126134.9 Ų134.976%0.76472%0.717SS**  trans-58.6116.1163.1170.50000106.8G177 L181G177-V179 PolarHBondContact O-N 3.49Å; V179-L181 VanDerWaalsContact C-N 3.28Å; V179-L181 PolarHBondContact O-N 3.21Å
180N40Very low56.6Low150 Ų150137.1 Ų137.180%0.80272%0.722SS**  trans-52.888.5172.7-67.2-66.7000110.4Q178 Q182Q178-N180 PolarHBondContact O-N 3.42Å; N180-Q182 VanDerWaalsContact C-N 3.29Å; N180-Q182 PolarHBondContact O-N 3.28Å; N180-Q182 VanDerWaalsContact O-N 3.16Å
181L43Very low55.9Low156 Ų156138.3 Ų138.382%0.81772%0.723SS**  trans-74.498.2152.8-74.2177000105.2V179 R183V179-L181 VanDerWaalsContact C-N 3.28Å; V179-L181 PolarHBondContact O-N 3.21Å; L181-R183 PolarHBondContact O-N 3.5Å
182Q38.3Very low55.3Low179 Ų179139 Ų13984%0.83673%0.729SS**  trans-47.184.7170-168.68912.900110N180N180-Q182 VanDerWaalsContact C-N 3.29Å; N180-Q182 PolarHBondContact O-N 3.28Å; N180-Q182 VanDerWaalsContact O-N 3.16Å
183R44.3Very low54.8Low230 Ų230136 Ų13687%0.86873%0.732SS**  trans-89.9106.6167.3179168.1-73.9-173.7-2.5106L181 E185L181-R183 PolarHBondContact O-N 3.5Å; R183-E185 PolarHBondContact O-N 3.23Å
184S40.9Very low54.2Low103 Ų103133.9 Ų133.972%0.7273%0.73SS**  trans-44.7124.9166.7-68.40000110.3T186S184-T186 PolarHBondContact O-N 2.78Å
185E35.6Very low53.3Low189 Ų189132.5 Ų132.588%0.88372%0.724SS**  trans-58.6115.5165.1-63.2162.3110.700109R183R183-E185 PolarHBondContact O-N 3.23Å
186T41.1Very low52.4Low126 Ų126137.5 Ų137.577%0.77373%0.727SS**  trans-155119.8152.4-44.40000109.6S184S184-T186 PolarHBondContact O-N 2.78Å
187E38.1Very low52.4Low172 Ų172139.4 Ų139.480%0.80473%0.731SS**  trans78.3112.3161.7-72.3-87.493.100119.4H189E187-H189 PolarHBondContact O-N 2.74Å; E187-H189 VanDerWaalsContact O-N 3.11Å
188P42.9Very low52.9Low105 Ų105141.4 Ų141.468%0.68273%0.729SS**  trans-77.694.9173.530.1-26.6000109.9L190P188-L190 VanDerWaalsContact C-N 3.26Å; P188-L190 PolarHBondContact O-N 3.42Å
189H54.8Low53.6Low159 Ų159138.1 Ų138.174%0.73672%0.716SS**  trans-7283.8169.6-166.8-77.8000109.4E187 D191E187-H189 PolarHBondContact O-N 2.74Å; E187-H189 VanDerWaalsContact O-N 3.11Å; H189-D191 IonicContact CE1-OD2 2.66Å; H189-D191 PolarHBondContact CE1-OD2 3.27Å; H189-D191 IonicContact ND1-OD2 3.99Å; H189-D191 IonicContact NE2-OD2 3.19Å; H189-D191 PolarHBondContact O-N 2.9Å
190L49.5Very low54.5Low161 Ų161136.2 Ų136.284%0.84370%0.704SS**  trans-70.679168.2-71.4167.6000109.1P188P188-L190 VanDerWaalsContact C-N 3.26Å; P188-L190 PolarHBondContact O-N 3.42Å
191D60.3Low55.8Low115 Ų115133.8 Ų133.862%0.61569%0.692SS**  trans-123.1130153.5-89.2-38.5000108.8H189H189-D191 IonicContact CE1-OD2 2.66Å; H189-D191 PolarHBondContact CE1-OD2 3.27Å; H189-D191 IonicContact ND1-OD2 3.99Å; H189-D191 IonicContact NE2-OD2 3.19Å; H189-D191 PolarHBondContact O-N 2.9Å
192P67.1Low56.9Low107 Ų107130.1 Ų130.170%0.69568%0.679SS**PPolyproline II helixtrans-60.4149.2173.827.4-33.2000109.8
193P61.6Low57.8Low117 Ų117129 Ų12976%0.7668%0.679SS**PPolyproline II helixtrans-55137.4177.822.4-31.9000110.1
194P65.9Low58.3Low94 Ų94122.9 Ų122.961%0.6167%0.671SS**PPolyproline II helixtrans-59.3142.7-176.423.8-33.3000111
195E64.9Low58.5Low126 Ų126121.7 Ų121.759%0.58967%0.667SS**PPolyproline II helixtrans-72.2146.5-178.3-150.4166151.700110.1E197 D198E195-E197 HydrophobicContact CB-CG 4.29Å; E195-E197 HydrophobicContact CG-CG 4.24Å; E195-E197 PolarHBondContact O-N 3.43Å; E195-E197 VanDerWaalsContact O-N 3.15Å; E195-D198 WeakPolarHBondContact O-CB 3.48Å; E195-D198 PolarHBondContact O-N 3.2Å
196Y60.6Low58.9Low184 Ų184117.6 Ų117.672%0.72266%0.659SS**Hα-helixtrans-58.6-35.2-167.1-163.8-97000112.2D198 I199 V200Y196-D198 VanDerWaalsContact C-N 3.33Å; Y196-D198 PolarHBondContact O-N 2.95Å; Y196-I199 PolarHBondContact O-N 2.8Å; Y196-V200 WeakPolarHBondContact O-CG2 3.38Å; Y196-V200 PolarHBondContact O-N 3.11Å
197E73.5Confident58.7Low107 Ų107116 Ų11650%0.566%0.659SS.*Hα-helixtrans-58.9-34.2172.734.7-117.9-130.100114.8E195 I199 V200 N201E195-E197 HydrophobicContact CB-CG 4.29Å; E195-E197 HydrophobicContact CG-CG 4.24Å; E195-E197 PolarHBondContact O-N 3.43Å; E195-E197 VanDerWaalsContact O-N 3.15Å; E197-I199 VanDerWaalsContact C-N 3.27Å; E197-I199 PolarHBondContact O-N 3.37Å; E197-V200 WeakPolarHBondContact O-CG2 3.34Å; E197-V200 PolarHBondContact O-N 3.36Å; E197-N201 VanDerWaalsContact O-CB 3.25Å; E197-N201 WeakPolarHBondContact O-CB 3.04Å; E197-N201 VanDerWaalsContact O-CG 3.25Å; E197-N201 PolarHBondContact O-N 3.13Å; E197-N201 PolarHBondContact O-OD1 3.07Å; E197-N201 VanDerWaalsContact O-OD1 3.08Å
198D72.1Confident59.1Low95 Ų95115.1 Ų115.151%0.50866%0.658SS.*Hα-helixtrans-70.2-30.2-180-66-35000111.3E195 Y196 S202E195-D198 WeakPolarHBondContact O-CB 3.48Å; E195-D198 PolarHBondContact O-N 3.2Å; Y196-D198 VanDerWaalsContact C-N 3.33Å; Y196-D198 PolarHBondContact O-N 2.95Å; D198-S202 VanDerWaalsContact O-CB 3.26Å; D198-S202 WeakPolarHBondContact O-CB 3.42Å; D198-S202 PolarHBondContact O-N 3.16Å; D198-S202 VanDerWaalsContact O-N 3.1Å; D198-S202 PolarHBondContact O-OG 3.08Å
199I73.8Confident59Low99 Ų99115.2 Ų115.251%0.50866%0.659SS.*Hα-helixtrans-72.4-43.8179.1-55.6172000110.8Y196 E197Y196-I199 PolarHBondContact O-N 2.8Å; E197-I199 VanDerWaalsContact C-N 3.27Å; E197-I199 PolarHBondContact O-N 3.37Å
200V75.5Confident58.7Low86 Ų86116.2 Ų116.252%0.52167%0.666SS.*Hα-helixtrans-73.4-36.1178.2-90.30000112.4Y196 E197Y196-V200 WeakPolarHBondContact O-CG2 3.38Å; Y196-V200 PolarHBondContact O-N 3.11Å; E197-V200 WeakPolarHBondContact O-CG2 3.34Å; E197-V200 PolarHBondContact O-N 3.36Å
201N68.6Low58.6Low100 Ų100114.5 Ų114.554%0.53566%0.662SS.*Hα-helixtrans-77.7-27.8-177.2-70.735.1000112.6E197 N203 S204E197-N201 VanDerWaalsContact O-CB 3.25Å; E197-N201 WeakPolarHBondContact O-CB 3.04Å; E197-N201 VanDerWaalsContact O-CG 3.25Å; E197-N201 PolarHBondContact O-N 3.13Å; E197-N201 PolarHBondContact O-OD1 3.07Å; E197-N201 VanDerWaalsContact O-OD1 3.08Å; N201-N203 PolarHBondContact O-N 2.98Å; N201-S204 PolarHBondContact O-N 3.32Å; N201-S204 PolarHBondContact O-OG 3.45Å
202S64.9Low57.9Low78 Ų78114.3 Ų114.355%0.54567%0.667SS.*Hα-helixtrans-58.9-28.7175.6-68.70000113.1D198 S204 A205D198-S202 VanDerWaalsContact O-CB 3.26Å; D198-S202 WeakPolarHBondContact O-CB 3.42Å; D198-S202 PolarHBondContact O-N 3.16Å; D198-S202 VanDerWaalsContact O-N 3.1Å; D198-S202 PolarHBondContact O-OG 3.08Å; S202-S204 PolarHBondContact O-N 2.8Å; S202-A205 PolarHBondContact O-N 3.35Å
203N59.1Low57.5Low157 Ų157115.4 Ų115.484%0.8467%0.671SS**THydrogen-bonded Turntrans-70.8-9.7175.5-740.2000113.6N201N201-N203 PolarHBondContact O-N 2.98Å
204S54Low56.8Low101 Ų101115.6 Ų115.671%0.70667%0.67SS**THydrogen-bonded Turntrans-106.7-7.117753.40000114.4N201 S202 S206N201-S204 PolarHBondContact O-N 3.32Å; N201-S204 PolarHBondContact O-OG 3.45Å; S202-S204 PolarHBondContact O-N 2.8Å; S204-S206 PolarHBondContact O-N 3.09Å
205A44.3Very low56.6Low77 Ų77116.8 Ų116.864%0.63668%0.676SS**SBendtrans-93.789176.400000111.3S202S202-A205 PolarHBondContact O-N 3.35Å
206S43.7Very low55.6Low103 Ų103116.5 Ų116.572%0.7268%0.683SS**  trans3.3111.7157.8-1770000117.8S204 I208S204-S206 PolarHBondContact O-N 3.09Å; S206-I208 PolarHBondContact O-N 3.14Å
207A38.4Very low55.5Low92 Ų92115.3 Ų115.376%0.7669%0.687SS**  trans18.793.9137.500000116.8
208I44.8Very low54.7Low154 Ų154122.8 Ų122.879%0.7972%0.718SS**  trans-93122.3153.2-60.3-176.9000107S206 M210S206-I208 PolarHBondContact O-N 3.14Å; I208-M210 PolarHBondContact O-N 3.24Å
209P41.5Very low53.9Low107 Ų107124.2 Ų124.270%0.69573%0.729SS**  trans-69.1120.4-176.527-32.2000110.2V211P209-V211 PolarHBondContact O-N 3.2Å
210M49.3Very low52.8Low181 Ų181125.5 Ų125.589%0.89274%0.74SS**  trans-60.9104164.139.8-168.794.100109I208I208-M210 PolarHBondContact O-N 3.24Å
211V46.9Very low51.5Low125 Ų125127.7 Ų127.776%0.75875%0.753SS**  trans-67.3124.9172.4178.10000108P209 V213P209-V211 PolarHBondContact O-N 3.2Å; V211-V213 PolarHBondContact O-N 2.96Å
212P46.4Very low50.5Low111 Ų111129.4 Ų129.472%0.72177%0.765SS**  trans-70.1126.6-177.125.1-30.9000111.2V214P212-V214 PolarHBondContact O-N 3.2Å
213V58Low49.6Very low129 Ų129132.6 Ų132.678%0.78278%0.779SS**  trans-68.2114.8171.81720000108.7V211 T215V211-V213 PolarHBondContact O-N 2.96Å; V213-T215 HydrophobicContact CG1-CG2 4.37Å; V213-T215 PolarHBondContact O-N 3.17Å
214V47Very low49Very low122 Ų122130.9 Ų130.974%0.73978%0.775SS**  trans-77.9105.9169.3176.20000108.3P212 T216P212-V214 PolarHBondContact O-N 3.2Å; V214-T216 PolarHBondContact O-N 3.04Å
215T60.5Low48.7Very low119 Ų119133.1 Ų133.173%0.7378%0.78SS**  trans-87.895.1162.442.10000109.2V213 I217V213-T215 HydrophobicContact CG1-CG2 4.37Å; V213-T215 PolarHBondContact O-N 3.17Å; T215-I217 PolarHBondContact O-N 3.44Å
216T45Very low49Very low119 Ų119137.4 Ų137.473%0.7379%0.791SS**  trans-75.9108.3158.7-61.30000108V214V214-T216 PolarHBondContact O-N 3.04Å
217I59.2Low49.4Very low159 Ų159140.3 Ų140.382%0.81580%0.797SS**  trans-101.5123.3156.5-61.1175.6000105.5T215T215-I217 PolarHBondContact O-N 3.44Å
218K56.4Low50.4Low265 Ų265144.6 Ų144.6100%1.15280%0.8SS**  trans-79.30-179.4-162.8179.5-174.31760111

Retrieved 218 of 218 residues in 32.7 ms (Link to these results)

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