A0A096NI24_PAPAN Loading...

Chromosome 16 open reading frame 87

AlphaFold DB (Q6PH81), UniProt , Accession A0A096NI24, Species PAPAN (Papio anubis, Olive baboon), Gene C16orf87, Length 154 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
1M58.5Low73.7Confident240 Ų240161.1 Ų161.1100%1.18284%0.843SS**  085.10-71.7-69.6165.700108.9A3M1-A3 PolarHBondContact O-N 2.96Å
2S61.1Low75.3Confident119 Ų119153.7 Ų153.783%0.83282%0.822SS**  trans-87.791.8-174.5-56.80000110.3T4S2-T4 PolarHBondContact O-N 3.34Å
3A67.9Low76.8Confident83 Ų83147.2 Ų147.269%0.68679%0.792SS**  trans-70.398.6172.100000109.2M1 R5M1-A3 PolarHBondContact O-N 2.96Å; A3-R5 PolarHBondContact O-N 3.48Å
4T68.7Low78.1Confident136 Ų136140.2 Ų140.283%0.83475%0.751SS**  trans-67.282.6171.143.50000109.1S2 A6S2-T4 PolarHBondContact O-N 3.34Å; T4-A6 PolarHBondContact O-N 3.39Å
5R72.2Confident79.3Confident222 Ų222135.7 Ų135.784%0.83874%0.735SS**  trans-6897.1172-67.8-172179.8-150.30.4108.1A3 K7A3-R5 PolarHBondContact O-N 3.48Å; R5-K7 PolarHBondContact O-N 3.36Å
6A71.4Confident80.3Confident90 Ų90127.3 Ų127.374%0.74469%0.689SS**  trans-53.6110.4170.900000108.8T4 K8T4-A6 PolarHBondContact O-N 3.39Å; A6-K8 PolarHBondContact O-N 3.28Å
7K77.1Confident81.1Confident201 Ų201124.6 Ų124.687%0.87468%0.68SS**  trans-68.398.3178.9-68.2175-177.7173.20107.9R5 V9R5-K7 PolarHBondContact O-N 3.36Å; K7-V9 PolarHBondContact O-N 3.44Å
8K80.2Confident81.9Confident196 Ų196124.6 Ų124.685%0.85267%0.674SS**PPolyproline II helixtrans-62.1120171.6-76.6174.6176.6-177.90108.2A6 K10A6-K8 PolarHBondContact O-N 3.28Å; K8-K10 PolarHBondContact O-N 3.33Å
9V82.1Confident82.7Confident138 Ų138120.8 Ų120.884%0.83666%0.658SS**PPolyproline II helixtrans-63.8117.5176.3179.30000107.6K7 M11K7-V9 PolarHBondContact O-N 3.44Å; V9-M11 PolarHBondContact O-N 3.3Å
10K83.8Confident83.4Confident199 Ų199121.1 Ų121.187%0.86566%0.658SS**PPolyproline II helixtrans-72125.4174.4-66.3-177.1179.6-179.10108.2K8K8-K10 PolarHBondContact O-N 3.33Å
11M87.5Confident84Confident148 Ų148119.9 Ų119.973%0.72965%0.648SS**PPolyproline II helixtrans-67.7138.2174-70.4179.460.500110.1V9 P24V9-M11 PolarHBondContact O-N 3.3Å; M11-P24 HydrophobicContact CE-CB 4.31Å
12A93.5Very high85.8Confident72 Ų72114.2 Ų114.260%0.59562%0.619SS**PPolyproline II helixtrans-71.6129.4173.700000110.6V25A12-V25 HydrophobicContact CB-CG2 3.99Å; A12-V25 WeakPolarHBondContact O-CG2 3.47Å; A12-V25 PolarHBondContact O-N 3.04Å; A12-V25 VanDerWaalsContact O-N 3.09Å
13T94.8Very high87.4Confident69 Ų69108.8 Ų108.842%0.42358%0.581SS.*EExtended strand (participates in β ladder)trans-118.2158.1177.858.80000110.9Q22 V23T13-Q22 VanDerWaalsContact CB-OE1 3.31Å; T13-Q22 HydrophobicContact CG2-CB 4.44Å; T13-Q22 PolarHBondContact OG1-OE1 3.38Å; T13-V23 CarbonylContact C-O 3.51Å; T13-V23 VanDerWaalsContact CA-O 3.29Å; T13-V23 WeakPolarHBondContact CA-O 3.12Å
14K94.5Very high88.7Confident50 Ų50106.9 Ų106.922%0.21756%0.562CS.*EExtended strand (participates in β ladder)trans-125.5145171.659.2179.6-172.3-80.10109V23 P24 V25 C27 F36K14-V23 WeakPolarHBondContact CG-O 3.48Å; K14-V23 PolarHBondContact N-O 3.38Å; K14-V23 PolarHBondContact O-N 3.39Å; K14-P24 PolarHBondContact NZ-O 3.42Å; K14-V25 HydrophobicContact CB-CG2 4.41Å; K14-V25 PolarHBondContact NZ-O 3.42Å; K14-C27 PolarHBondContact NZ-O 3.33Å; K14-F36 HydrophobicContact CD-CD1 3.99Å; K14-F36 HydrophobicContact CD-CE1 4.1Å; K14-F36 HydrophobicContact CD-CG 4.28Å; K14-F36 HydrophobicContact CD-CZ 4.48Å; K14-F36 HydrophobicContact CG-CE1 4.4Å
15S96.2Very high89.9Confident73 Ų73104.5 Ų104.551%0.5155%0.546SS..EExtended strand (participates in β ladder)trans-77.9140.2175.949.40000111.4
16C95.8Very high90.9Very high0 Ų098.7 Ų98.70%055%0.546CS..  trans-77.9128.3169.3-175.50000110E18 C19 D20 Q21 V23 C30 Y34 F36C16-E18 PolarHBondContact O-N 2.69Å; C16-C19 VanDerWaalsContact SG-SG 3.7Å; C16-D20 WeakPolarHBondContact O-CA 3.42Å; C16-D20 PolarHBondContact O-N 2.79Å; C16-Q21 PolarHBondContact N-O 3.49Å; C16-V23 HydrophobicContact CB-CG2 4.4Å; C16-C30 HydrophobicContact CB-CB 4.15Å; C16-C30 VanDerWaalsContact SG-CB 3.57Å; C16-Y34 VanDerWaalsContact SG-CB 3.56Å; C16-F36 HydrophobicContact CB-CZ 4.16Å
17P94.2Very high91.9Very high82 Ų8297 Ų9753%0.53253%0.528SS..THydrogen-bonded Turntrans-72.5-12.717829.1-34.9000114.5Y34P17-Y34 HydrophobicContact CG-CD1 3.84Å; P17-Y34 HydrophobicContact CG-CD2 4.02Å; P17-Y34 HydrophobicContact CG-CE1 3.41Å; P17-Y34 VanDerWaalsContact CG-CE1 3.41Å; P17-Y34 HydrophobicContact CG-CE2 3.62Å; P17-Y34 HydrophobicContact CG-CG 4.12Å
18E95.2Very high92.7Very high124 Ų12494.6 Ų94.658%0.57952%0.518SS*.THydrogen-bonded Turntrans-90.6-34.5177.9-76.3-177175.300113.6C16 C32 Y34C16-E18 PolarHBondContact O-N 2.69Å; E18-C32 PolarHBondContact OE2-SG 2.9Å; E18-C32 VanDerWaalsContact OE2-SG 3.38Å; E18-Y34 HydrophobicContact CG-CD2 3.77Å; E18-Y34 HydrophobicContact CG-CG 4.25Å; E18-Y34 WeakPolarHBondContact OE2-CB 3.43Å; E18-Y34 PolarHBondContact OE2-N 2.89Å
19C97.1Very high93.4Very high54 Ų5488.1 Ų88.137%0.36550%0.497SS..THydrogen-bonded Turntrans-135.97.2-171.967.40000114C16 Q21 C32C16-C19 VanDerWaalsContact SG-SG 3.7Å; C19-Q21 PolarHBondContact O-N 2.77Å; C19-Q21 VanDerWaalsContact SG-CB 3.56Å; C19-C32 HydrophobicContact CB-CB 4.19Å
20D95.6Very high94.1Very high126 Ų12681.7 Ų81.767%0.67446%0.458SS*.  trans55.510.8-179.1-63.8-45.7000115.9C16 Q22C16-D20 WeakPolarHBondContact O-CA 3.42Å; C16-D20 PolarHBondContact O-N 2.79Å; D20-Q22 PolarHBondContact O-N 3.45Å
21Q96.2Very high94.7Very high95 Ų9577.3 Ų77.344%0.44445%0.45SS..  trans-66.7136.9179.1-166.517420.200111C16 C19 V23C16-Q21 PolarHBondContact N-O 3.49Å; C19-Q21 PolarHBondContact O-N 2.77Å; C19-Q21 VanDerWaalsContact SG-CB 3.56Å; Q21-V23 PolarHBondContact O-N 3.1Å
22Q96.9Very high95.1Very high121 Ų12173.2 Ų73.257%0.56544%0.436SS*.EExtended strand (participates in β ladder)trans-75.6107.9172.7-72.2-7611.300110T13 D20T13-Q22 VanDerWaalsContact CB-OE1 3.31Å; T13-Q22 HydrophobicContact CG2-CB 4.44Å; T13-Q22 PolarHBondContact OG1-OE1 3.38Å; D20-Q22 PolarHBondContact O-N 3.45Å
23V95.1Very high95.2Very high5 Ų572.2 Ų72.23%0.0343%0.432CS..EExtended strand (participates in β ladder)trans-104.9137.5-178.4-178.30000109.2T13 K14 C16 Q21 V25 C27 C30 F36T13-V23 CarbonylContact C-O 3.51Å; T13-V23 VanDerWaalsContact CA-O 3.29Å; T13-V23 WeakPolarHBondContact CA-O 3.12Å; K14-V23 WeakPolarHBondContact CG-O 3.48Å; K14-V23 PolarHBondContact N-O 3.38Å; K14-V23 PolarHBondContact O-N 3.39Å; C16-V23 HydrophobicContact CB-CG2 4.4Å; Q21-V23 PolarHBondContact O-N 3.1Å; V23-V25 PolarHBondContact O-N 2.9Å; V23-C27 HydrophobicContact CG1-CB 3.57Å; V23-C30 HydrophobicContact CG2-CB 4.08Å; V23-F36 HydrophobicContact CB-CE2 4.14Å; V23-F36 HydrophobicContact CB-CZ 4.21Å; V23-F36 HydrophobicContact CG1-CE2 3.94Å; V23-F36 HydrophobicContact CG2-CE2 4.18Å; V23-F36 HydrophobicContact CG2-CZ 4.13Å
24P95.4Very high95.2Very high44 Ų4472.7 Ų72.729%0.28643%0.427SS..EExtended strand (participates in β ladder)trans-53.1140.6173.6-2533.3000111.8M11 K14 A26 C27M11-P24 HydrophobicContact CE-CB 4.31Å; K14-P24 PolarHBondContact NZ-O 3.42Å; P24-A26 PolarHBondContact O-N 3.24Å; P24-A26 VanDerWaalsContact O-N 3.09Å; P24-C27 PolarHBondContact O-N 3.02Å
25V92.7Very high95.2Very high85 Ų8574.7 Ų74.752%0.51544%0.438SS..THydrogen-bonded Turntrans-58.2-30-179.2171.50000111.6A12 K14 V23 C27A12-V25 HydrophobicContact CB-CG2 3.99Å; A12-V25 WeakPolarHBondContact O-CG2 3.47Å; A12-V25 PolarHBondContact O-N 3.04Å; A12-V25 VanDerWaalsContact O-N 3.09Å; K14-V25 HydrophobicContact CB-CG2 4.41Å; K14-V25 PolarHBondContact NZ-O 3.42Å; V23-V25 PolarHBondContact O-N 2.9Å; V25-C27 PolarHBondContact O-N 2.85Å
26A92.8Very high95.1Very high100 Ų10073 Ų7383%0.82642%0.422SS*.THydrogen-bonded Turntrans-69.6-22.3177.800000115.2P24P24-A26 PolarHBondContact O-N 3.24Å; P24-A26 VanDerWaalsContact O-N 3.09Å
27C94Very high94.7Very high54 Ų5477.6 Ų77.637%0.36545%0.445SS..  trans-74.5135.8-178.4-62.20000111.3K14 V23 P24 V25K14-C27 PolarHBondContact NZ-O 3.33Å; V23-C27 HydrophobicContact CG1-CB 3.57Å; P24-C27 PolarHBondContact O-N 3.02Å; V25-C27 PolarHBondContact O-N 2.85Å
28K93.8Very high94.1Very high151 Ų15176.4 Ų76.466%0.65744%0.439SS*.SBendtrans-78.9-28.5178.3-174.1-174.9174.5-162.80112.9F36K28-F36 WeakPolarHBondContact O-CA 3.38Å; K28-F36 WeakPolarHBondContact O-CB 3.42Å; K28-F36 PolarHBondContact O-N 3.38Å
29S95.2Very high93.2Very high61 Ų6180.5 Ų80.543%0.42745%0.45SS..BIsolated β-bridgetrans-135.7156179.749.50000111.1Y34S29-Y34 CarbonylContact C-O 3.47Å; S29-Y34 WeakPolarHBondContact CA-O 3.5Å; S29-Y34 WeakPolarHBondContact CB-O 3.49Å
30C96.3Very high92.2Very high3 Ų386.5 Ų86.52%0.0247%0.469CS..  trans-82.3146168-1730000108.9C16 V23 C32 G33 Y34 F36C16-C30 HydrophobicContact CB-CB 4.15Å; C16-C30 VanDerWaalsContact SG-CB 3.57Å; V23-C30 HydrophobicContact CG2-CB 4.08Å; C30-C32 PolarHBondContact O-N 2.83Å; C30-C32 VanDerWaalsContact O-N 3.12Å; C30-C32 PolarHBondContact SG-SG 2.9Å; C30-G33 PolarHBondContact O-N 2.79Å; C30-Y34 PolarHBondContact N-O 3.47Å; C30-F36 HydrophobicContact CB-CE2 3.91Å; C30-F36 HydrophobicContact CB-CZ 4.17Å
31P95Very high91Very high107 Ų10785 Ų8570%0.69546%0.461SS*.THydrogen-bonded Turntrans-58.4-17.617224-36.7000114.3G33P31-G33 VanDerWaalsContact C-N 3.27Å; P31-G33 PolarHBondContact O-N 2.99Å
32C96.6Very high89.7Confident62 Ų6284.6 Ų84.642%0.41946%0.461SS..THydrogen-bonded Turntrans-72.5-17.2172.173.80000114.1E18 C19 C30E18-C32 PolarHBondContact OE2-SG 2.9Å; E18-C32 VanDerWaalsContact OE2-SG 3.38Å; C19-C32 HydrophobicContact CB-CB 4.19Å; C30-C32 PolarHBondContact O-N 2.83Å; C30-C32 VanDerWaalsContact O-N 3.12Å; C30-C32 PolarHBondContact SG-SG 2.9Å
33G95.1Very high88.4Confident50 Ų5084 Ų8452%0.51546%0.462SS..SBendtrans119.7-24.3-176.500000114.4C30 P31 I35C30-G33 PolarHBondContact O-N 2.79Å; P31-G33 VanDerWaalsContact C-N 3.27Å; P31-G33 PolarHBondContact O-N 2.99Å; G33-I35 PolarHBondContact O-N 2.88Å
34Y95.2Very high87.2Confident80 Ų8086.6 Ų86.631%0.31448%0.484SS..  trans-57.9128.5-179.2-171.2-103.4000112.6C16 P17 E18 S29 C30 F36C16-Y34 VanDerWaalsContact SG-CB 3.56Å; P17-Y34 HydrophobicContact CG-CD1 3.84Å; P17-Y34 HydrophobicContact CG-CD2 4.02Å; P17-Y34 HydrophobicContact CG-CE1 3.41Å; P17-Y34 VanDerWaalsContact CG-CE1 3.41Å; P17-Y34 HydrophobicContact CG-CE2 3.62Å; P17-Y34 HydrophobicContact CG-CG 4.12Å; E18-Y34 HydrophobicContact CG-CD2 3.77Å; E18-Y34 HydrophobicContact CG-CG 4.25Å; E18-Y34 WeakPolarHBondContact OE2-CB 3.43Å; E18-Y34 PolarHBondContact OE2-N 2.89Å; S29-Y34 CarbonylContact C-O 3.47Å; S29-Y34 WeakPolarHBondContact CA-O 3.5Å; S29-Y34 WeakPolarHBondContact CB-O 3.49Å; C30-Y34 PolarHBondContact N-O 3.47Å; Y34-F36 AromaticContact CD1-CD1 3.81Å; Y34-F36 HydrophobicContact CD1-CD1 3.81Å; Y34-F36 AromaticContact CD1-CE1 3.7Å; Y34-F36 HydrophobicContact CD1-CE1 3.7Å; Y34-F36 HydrophobicContact CD1-CE2 4.44Å; Y34-F36 HydrophobicContact CD1-CG 4.24Å; Y34-F36 HydrophobicContact CD1-CZ 4.04Å; Y34-F36 AromaticContact CE1-CD1 3.65Å; Y34-F36 HydrophobicContact CE1-CD1 3.65Å; Y34-F36 AromaticContact CE1-CE1 3.83Å; Y34-F36 HydrophobicContact CE1-CE1 3.83Å; Y34-F36 HydrophobicContact CE1-CG 4.3Å
35I94.7Very high85.5Confident91 Ų9192.9 Ų92.947%0.46751%0.506SS..BIsolated β-bridgetrans-99.4119.9178.2-55.6178.1000109.5G33 I37G33-I35 PolarHBondContact O-N 2.88Å; I35-I37 VanDerWaalsContact C-N 3.26Å; I35-I37 HydrophobicContact CB-CG1 4.26Å; I35-I37 HydrophobicContact CG2-CG1 3.73Å; I35-I37 PolarHBondContact O-N 3.17Å
36F94Very high84Confident39 Ų3996.5 Ų96.517%0.17152%0.517CS..  trans-78.177173.3-57.4-79.9000109.9K14 C16 V23 K28 C30 Y34 S38K14-F36 HydrophobicContact CD-CD1 3.99Å; K14-F36 HydrophobicContact CD-CE1 4.1Å; K14-F36 HydrophobicContact CD-CG 4.28Å; K14-F36 HydrophobicContact CD-CZ 4.48Å; K14-F36 HydrophobicContact CG-CE1 4.4Å; C16-F36 HydrophobicContact CB-CZ 4.16Å; V23-F36 HydrophobicContact CB-CE2 4.14Å; V23-F36 HydrophobicContact CB-CZ 4.21Å; V23-F36 HydrophobicContact CG1-CE2 3.94Å; V23-F36 HydrophobicContact CG2-CE2 4.18Å; V23-F36 HydrophobicContact CG2-CZ 4.13Å; K28-F36 WeakPolarHBondContact O-CA 3.38Å; K28-F36 WeakPolarHBondContact O-CB 3.42Å; K28-F36 PolarHBondContact O-N 3.38Å; C30-F36 HydrophobicContact CB-CE2 3.91Å; C30-F36 HydrophobicContact CB-CZ 4.17Å; Y34-F36 AromaticContact CD1-CD1 3.81Å; Y34-F36 HydrophobicContact CD1-CD1 3.81Å; Y34-F36 AromaticContact CD1-CE1 3.7Å; Y34-F36 HydrophobicContact CD1-CE1 3.7Å; Y34-F36 HydrophobicContact CD1-CE2 4.44Å; Y34-F36 HydrophobicContact CD1-CG 4.24Å; Y34-F36 HydrophobicContact CD1-CZ 4.04Å; Y34-F36 AromaticContact CE1-CD1 3.65Å; Y34-F36 HydrophobicContact CE1-CD1 3.65Å; Y34-F36 AromaticContact CE1-CE1 3.83Å; Y34-F36 HydrophobicContact CE1-CE1 3.83Å; Y34-F36 HydrophobicContact CE1-CG 4.3Å; F36-S38 PolarHBondContact O-N 3.26Å
37I88.6Confident82.4Confident95 Ų9596 Ų9649%0.48751%0.508SS..  trans-69.3119177.5-52.4175.9000108.8I35 L41 L42I35-I37 VanDerWaalsContact C-N 3.26Å; I35-I37 HydrophobicContact CB-CG1 4.26Å; I35-I37 HydrophobicContact CG2-CG1 3.73Å; I35-I37 PolarHBondContact O-N 3.17Å; I37-L41 HydrophobicContact CG2-CB 4.03Å; I37-L42 HydrophobicContact CB-CD2 4.42Å; I37-L42 HydrophobicContact CD1-CD2 4.32Å; I37-L42 HydrophobicContact CG2-CD1 4.49Å; I37-L42 HydrophobicContact CG2-CD2 3.65Å; I37-L42 HydrophobicContact CG2-CG 3.69Å
38S81.1Confident80.6Confident58 Ų58101.8 Ų101.841%0.40653%0.53SS..  trans-69.4144.4172.971.10000110.8F36 K40 L41 L42F36-S38 PolarHBondContact O-N 3.26Å; S38-K40 PolarHBondContact O-N 3.21Å; S38-L41 PolarHBondContact O-N 3.31Å; S38-L41 WeakPolarHBondContact OG-CG 3.45Å; S38-L42 PolarHBondContact O-N 3.48Å
39R76.8Confident78.4Confident210 Ų210104 Ų10479%0.79254%0.539SS*.Hα-helixtrans-53-31.6178.5-159.9176.9-65.4-138.40.6113L41 L42 N43R39-L41 PolarHBondContact O-N 3.13Å; R39-L42 PolarHBondContact O-N 3.36Å; R39-N43 PolarHBondContact O-N 3.4Å; R39-N43 PolarHBondContact O-OD1 2.78Å
40K75.1Confident75.9Confident179 Ų179105.6 Ų105.678%0.77855%0.55SS**Hα-helixtrans-64-37.8176.3-64-177.1-178.3177.50112.8S38 A44S38-K40 PolarHBondContact O-N 3.21Å; K40-A44 PolarHBondContact O-N 3.49Å
41L70.5Confident73.5Confident95 Ų95110.8 Ų110.850%0.49758%0.584SS.*Hα-helixtrans-74.5-31179.7-69.5175.4000112.4I37 S38 R39 A44I37-L41 HydrophobicContact CG2-CB 4.03Å; S38-L41 PolarHBondContact O-N 3.31Å; S38-L41 WeakPolarHBondContact OG-CG 3.45Å; R39-L41 PolarHBondContact O-N 3.13Å; L41-A44 PolarHBondContact O-N 3.25Å
42L68.6Low71.1Confident86 Ų86111.9 Ų111.945%0.4559%0.591SS.*Hα-helixtrans-64.7-42174-66.8175.1000111.2I37 S38 R39 A44 K45I37-L42 HydrophobicContact CB-CD2 4.42Å; I37-L42 HydrophobicContact CD1-CD2 4.32Å; I37-L42 HydrophobicContact CG2-CD1 4.49Å; I37-L42 HydrophobicContact CG2-CD2 3.65Å; I37-L42 HydrophobicContact CG2-CG 3.69Å; S38-L42 PolarHBondContact O-N 3.48Å; R39-L42 PolarHBondContact O-N 3.36Å; L42-A44 VanDerWaalsContact C-N 3.3Å; L42-A44 PolarHBondContact O-N 2.97Å; L42-K45 PolarHBondContact O-N 3.38Å
43N70.5Confident68.6Low110 Ų110113.9 Ų113.959%0.58861%0.606SS**Hα-helixtrans-67.9-29.2-179.8-63.9-4.3000112.9R39 K45 H46R39-N43 PolarHBondContact O-N 3.4Å; R39-N43 PolarHBondContact O-OD1 2.78Å; N43-K45 VanDerWaalsContact C-N 3.31Å; N43-K45 PolarHBondContact O-N 2.88Å; N43-H46 PolarHBondContact O-N 2.76Å
44A69Low66.1Low58 Ų58117.3 Ų117.348%0.47962%0.617SS.*Hα-helixtrans-66.3-31.1177.600000112.7K40 L41 L42 H46 S47K40-A44 PolarHBondContact O-N 3.49Å; L41-A44 PolarHBondContact O-N 3.25Å; L42-A44 VanDerWaalsContact C-N 3.3Å; L42-A44 PolarHBondContact O-N 2.97Å; A44-H46 PolarHBondContact O-N 2.94Å; A44-S47 PolarHBondContact O-N 2.99Å
45K60.8Low63.5Low176 Ų176121.2 Ų121.277%0.76564%0.638SS**G310 helixtrans-68-19.8178.6-72.6-160.6173-1650113.9L42 N43L42-K45 PolarHBondContact O-N 3.38Å; N43-K45 VanDerWaalsContact C-N 3.31Å; N43-K45 PolarHBondContact O-N 2.88Å
46H60.9Low61.1Low161 Ų161123.3 Ų123.375%0.74565%0.65SS**G310 helixtrans-82.5-14.7-179.9-77.1-83.5000113.9N43 A44 E48N43-H46 PolarHBondContact O-N 2.76Å; A44-H46 PolarHBondContact O-N 2.94Å; H46-E48 PolarHBondContact O-N 3.43Å
47S59.5Low58.9Low90 Ų90130.3 Ų130.363%0.62968%0.681SS**G310 helixtrans-85.90.1-176.382.60000115.3A44A44-S47 PolarHBondContact O-N 2.99Å
48E55.6Low57Low176 Ų176134.8 Ų134.882%0.82270%0.699SS**G310 helixtrans-95.617-176.3-62.4-130.9130.100114.5H46H46-E48 PolarHBondContact O-N 3.43Å
49K48.3Very low55.5Low198 Ų198140.2 Ų140.286%0.86172%0.718SS**  trans-110.470.1168-84.2120.4176.6-178.30111.2
50S40.9Very low54.7Low93 Ų93133.9 Ų133.965%0.6571%0.711SS**SBendtrans-150.712315648.20000108.7
51P45.6Very low53.9Low113 Ų113135.1 Ų135.173%0.73472%0.716SS**  trans-70.8155.7-173.131.2-34000111.1S53P51-S53 PolarHBondContact O-N 2.82Å
52P46.5Very low53.7Low129 Ų129140.4 Ų140.484%0.83873%0.73SS**  trans-80.285-172.733.4-32.8000110.1T54P52-T54 PolarHBondContact O-N 2.79Å
53S43.7Very low54Low104 Ų104148.8 Ų148.873%0.72776%0.755SS**  trans-83.4100.5166.258.60000109.3P51P51-S53 PolarHBondContact O-N 2.82Å
54T42.2Very low54.3Low123 Ų123153.4 Ų153.476%0.75576%0.764SS**  trans21.8136138.2580000119.3P52P52-T54 PolarHBondContact O-N 2.79Å
55E40.3Very low54.8Low161 Ų161156.9 Ų156.975%0.75278%0.78SS**  trans78.291.8157.3-58.8-83.8113.200116.2
56N45.2Very low55.3Low136 Ų136155.3 Ų155.373%0.72778%0.775SS**  50.8133126.8-69.5-53.8000120.3
57K46.9Very low56.1Low186 Ų186157.4 Ų157.481%0.80978%0.776SS**  trans82.669.8163.1-51.9-177.7177.9179.80116.2
58H49Very low56.9Low189 Ų189159.8 Ų159.888%0.87579%0.787SS**  -144.2103.9128.6-81.9-63.7000108.8A60H58-A60 PolarHBondContact O-N 3.45Å
59E50.4Low57.8Low171 Ų171160 Ų16080%0.79978%0.78SS**  trans-3782.3155.9-170.868-148.400109.6K61E59-K61 PolarHBondContact O-N 3.02Å
60A59.6Low58.9Low78 Ų78162.2 Ų162.265%0.64578%0.783SS**  trans-74.582.1-172.300000108.5H58 R62H58-A60 PolarHBondContact O-N 3.45Å; A60-R62 WeakPolarHBondContact O-CG 3.49Å; A60-R62 PolarHBondContact O-N 3.09Å
61K57.6Low60Low205 Ų205165.2 Ų165.289%0.89179%0.787SS**  trans28.353.6165.9-75173.3177170.90113.2E59 R63E59-K61 PolarHBondContact O-N 3.02Å; K61-R63 PolarHBondContact O-N 3.09Å; K61-R63 VanDerWaalsContact O-N 3.1Å
62R66Low60.8Low206 Ų206168.9 Ų168.978%0.77779%0.791SS**  trans-75.2107173.3-68.9-170.8-179.6-154.61.5106A60 R64A60-R62 WeakPolarHBondContact O-CG 3.49Å; A60-R62 PolarHBondContact O-N 3.09Å; R62-R64 PolarHBondContact O-N 3.03Å
63R74.4Confident61.3Low262 Ų262169.4 Ų169.499%0.98979%0.786SS**SBendtrans-57.8-16.2175.6-74.4-174.7179.9172-0.4113.4K61K61-R63 PolarHBondContact O-N 3.09Å; K61-R63 VanDerWaalsContact O-N 3.1Å
64R78.8Confident61.6Low207 Ų207171 Ų17178%0.78179%0.786SS**SBendtrans-104.4117.3-175.4179.6176.5-96.7179.5-5.9109.3R62R62-R64 PolarHBondContact O-N 3.03Å
65T78.3Confident61.9Low131 Ų131169.4 Ų169.480%0.80478%0.78SS**PPolyproline II helixtrans-61.3131167.237.70000110.2
66E72.2Confident62.2Low142 Ų142167.8 Ų167.866%0.66478%0.781SS**PPolyproline II helixtrans-67.5143.7173-117.4-90.815600109R69E66-R69 VanDerWaalsContact CD-NH1 3.34Å; E66-R69 IonicContact OE1-NH1 2.88Å; E66-R69 PolarHBondContact OE1-NH1 3.35Å; E66-R69 IonicContact OE2-NH1 2.99Å; E66-R69 PolarHBondContact OE2-NH1 2.91Å
67R77.2Confident62.3Low205 Ų205167.4 Ų167.477%0.77478%0.784SS**PPolyproline II helixtrans-82.2124.4177.2-71-173.7178.6110.9-3.2107.2R69R67-R69 PolarHBondContact O-N 3.4Å
68V76Confident62.3Low141 Ų141166.3 Ų166.386%0.85579%0.787SS**  trans-48.6108.2172.5175.30000108.7R70V68-R70 PolarHBondContact O-N 3.11Å
69R75.5Confident62.2Low180 Ų180166 Ų16668%0.67978%0.783SS**  trans-72.6117.6169.1-78.6-179.8170.782.4-6.4106.4E66 R67 E71E66-R69 VanDerWaalsContact CD-NH1 3.34Å; E66-R69 IonicContact OE1-NH1 2.88Å; E66-R69 PolarHBondContact OE1-NH1 3.35Å; E66-R69 IonicContact OE2-NH1 2.99Å; E66-R69 PolarHBondContact OE2-NH1 2.91Å; R67-R69 PolarHBondContact O-N 3.4Å; R69-E71 VanDerWaalsContact C-N 3.34Å; R69-E71 PolarHBondContact O-N 3.19Å
70R71.3Confident62Low244 Ų244163.7 Ų163.792%0.92178%0.776SS**  trans-76.491.6174.5-168.9162.7-171.7165.50.9107.5V68 K72V68-R70 PolarHBondContact O-N 3.11Å; R70-K72 PolarHBondContact O-N 3.23Å
71E62.9Low61.8Low157 Ų157166.4 Ų166.473%0.73478%0.779SS**  trans-64.3129.2170.9-70-177.8175.800108.8R69 I73R69-E71 VanDerWaalsContact C-N 3.34Å; R69-E71 PolarHBondContact O-N 3.19Å; E71-I73 VanDerWaalsContact C-N 3.25Å; E71-I73 PolarHBondContact O-N 3.39Å
72K62.1Low61.5Low190 Ų190165.1 Ų165.183%0.82678%0.776SS**  trans-77.279.6-176.1-171.3169.3179.2-173.90108.3R70 N74R70-K72 PolarHBondContact O-N 3.23Å; K72-N74 PolarHBondContact O-N 3.08Å; K72-N74 VanDerWaalsContact O-N 3.1Å
73I57.3Low60.9Low140 Ų140163 Ų16372%0.71878%0.78SS**  trans-74.2101.4172.3-57.4170.4000106.8E71 S75E71-I73 VanDerWaalsContact C-N 3.25Å; E71-I73 PolarHBondContact O-N 3.39Å; I73-S75 PolarHBondContact O-N 3.4Å
74N50.1Low59.9Low137 Ų137160.8 Ų160.873%0.73377%0.772SS**  trans-6794165.2-76.1-13000107.6K72K72-N74 PolarHBondContact O-N 3.08Å; K72-N74 VanDerWaalsContact O-N 3.1Å
75S49.9Very low58.6Low89 Ų89160.6 Ų160.662%0.62278%0.777SS**  trans-116.891.2167.963.60000109.3I73I73-S75 PolarHBondContact O-N 3.4Å
76T44.8Very low57.4Low127 Ų127164.9 Ų164.978%0.77978%0.778SS**  trans-48.2144.6151.530000109.4
77V48Very low56.2Low129 Ų129163.8 Ų163.878%0.78279%0.786SS**  trans6175.2171.5-64.80000117.1
78N47.2Very low55.2Low163 Ų163164.3 Ų164.387%0.87279%0.788SS**  trans-128.7121139.3-104.5-54.5000110.7
79K46.9Very low53.9Low183 Ų183163.2 Ų163.280%0.79679%0.787SS**  trans-80.3157.7-172.7-88.7172.6170.1176.70110.9
80D45.5Very low52.6Low122 Ų122162.2 Ų162.265%0.65280%0.795SS**  trans79.687.7147.3-82.5-82.7000120.6E82D80-E82 PolarHBondContact O-N 3.36Å; D80-E82 VanDerWaalsContact O-N 3.11Å
81L55.3Low51.5Low135 Ų135155.4 Ų155.471%0.70779%0.785SS**  57.828.4108.7-63.5-176.2000121.8
82E52.7Low51Low177 Ų177156.5 Ų156.583%0.82779%0.789SS**SBendtrans-89.9-9.9170.9-86.6-76.4106.300115.5D80 R84D80-E82 PolarHBondContact O-N 3.36Å; D80-E82 VanDerWaalsContact O-N 3.11Å; E82-R84 PolarHBondContact O-N 3.43Å
83N52.2Low50.5Low163 Ų163151.4 Ų151.487%0.87278%0.778SS**  trans-916.3-175.6-96.341.5000115.9K85N83-K85 VanDerWaalsContact C-N 3.29Å; N83-K85 PolarHBondContact O-N 3.45Å
84R54Low50Low215 Ų215152 Ų15281%0.81178%0.783SS**THydrogen-bonded Turntrans-82.313.1-173.4-159162171.5176.4-3.5115.5E82E82-R84 PolarHBondContact O-N 3.43Å
85K50.9Low50.4Low203 Ų203152.8 Ų152.888%0.88378%0.782SS**THydrogen-bonded Turntrans-126.832.8-176.7-63.8-166.5-177.5179.80117.1N83N83-K85 VanDerWaalsContact C-N 3.29Å; N83-K85 PolarHBondContact O-N 3.45Å
86R53.3Low50.6Low220 Ų220155.1 Ų155.183%0.8379%0.786SS**  trans-122.571.4160.6-102.9175.6-177.5175.22112.2R88R86-R88 PolarHBondContact O-N 3.09Å
87S48.3Very low51.2Low120 Ų120160.5 Ų160.584%0.83979%0.792SS**  trans-70.796.6156.1-57.80000108.4
88R55.7Low51.5Low215 Ų215164 Ų16481%0.81179%0.791SS**  trans-119.8102.4159-82.9-173.7169.7164.8-3.5108.3R86R86-R88 PolarHBondContact O-N 3.09Å
89S48.8Very low52.1Low119 Ų119159.1 Ų159.183%0.83278%0.779SS**  trans-0.1114.5164.2-25.50000117S91S89-S91 PolarHBondContact O-N 3.45Å
90N47.4Very low52.7Low158 Ų158162.9 Ų162.985%0.84579%0.788SS**  trans-63.2110.9162179.836.6000110.2
91S49.1Very low53.4Low102 Ų102160.7 Ų160.771%0.71380%0.795SS**  trans-133.866.4169.4167.10000109.2S89 S93S89-S91 PolarHBondContact O-N 3.45Å; S91-S93 PolarHBondContact O-N 3.09Å
92H51Low53.9Low179 Ų179165 Ų16583%0.82980%0.802SS**  trans20.386.1138.7-156.225.1000117
93S51.2Low54.4Low83 Ų83162 Ų16258%0.5880%0.797SS**  trans-172.655.6149.352.20000111.3S91 H95S91-S93 PolarHBondContact O-N 3.09Å; S93-H95 PolarHBondContact O-N 3.41Å
94D48.8Very low54.8Low153 Ų153163.2 Ų163.282%0.81880%0.795SS**  trans-74.579.6158.8-80.3-53.1000107.8I96D94-I96 VanDerWaalsContact C-N 3.29Å; D94-I96 PolarHBondContact O-N 2.93Å
95H57.2Low54.8Low154 Ų154158.2 Ų158.271%0.71379%0.793SS**  trans-44.9107.3151.1-76.5-80.6000105.7S93 R97S93-H95 PolarHBondContact O-N 3.41Å; H95-R97 WeakPolarHBondContact O-CG 3.45Å; H95-R97 PolarHBondContact O-N 3.12Å
96I55.1Low55.1Low138 Ų138152.8 Ų152.871%0.70879%0.786SS**  trans-49.795.7175.4-68.292.4000106.1D94 R98D94-I96 VanDerWaalsContact C-N 3.29Å; D94-I96 PolarHBondContact O-N 2.93Å; I96-R98 HydrophobicContact CG2-CG 3.74Å; I96-R98 PolarHBondContact O-N 3.45Å
97R56.1Low55Low240 Ų240147.8 Ų147.891%0.90679%0.785SS**  trans-70.978.6175.1-70.6-172.8-177.9-171.30.3105H95 G99H95-R97 WeakPolarHBondContact O-CG 3.45Å; H95-R97 PolarHBondContact O-N 3.12Å; R97-G99 PolarHBondContact O-N 3.2Å
98R55.4Low55.2Low201 Ų201146.3 Ų146.376%0.75878%0.78SS**  trans-56.5105.9172-66.6-176.8177.1166.40.5105.6I96 R100I96-R98 HydrophobicContact CG2-CG 3.74Å; I96-R98 PolarHBondContact O-N 3.45Å; R98-R100 PolarHBondContact O-N 3.23Å
99G59.7Low54.9Low61 Ų61142.9 Ų142.963%0.62977%0.771SS**  trans-52.2117.7175.700000109.1R97 G101R97-G99 PolarHBondContact O-N 3.2Å; G99-G101 PolarHBondContact O-N 2.96Å
100R59.4Low55.1Low262 Ų262146.1 Ų146.199%0.98977%0.77SS**THydrogen-bonded Turntrans-55.2123.9166.3-71.6-175.2-176.4-165.41.6106.8R98R98-R100 PolarHBondContact O-N 3.23Å
101G59Low55.4Low77 Ų77145.7 Ų145.779%0.79476%0.763SS**THydrogen-bonded Turntrans112.6-1.3171.100000116.9G99 P103G99-G101 PolarHBondContact O-N 2.96Å; G101-P103 WeakPolarHBondContact O-CD 3.21Å
102R65.8Low55.6Low224 Ų224146.1 Ų146.185%0.84575%0.754SS**  trans-97.498.4164.3-168.3167.9-178.2156.6-0.5109.7K104R102-K104 PolarHBondContact O-N 3Å
103P64.1Low55.7Low114 Ų114143 Ų14374%0.7474%0.739SS**  trans-56.8136.8173.121.2-29.9000110G101 S105G101-P103 WeakPolarHBondContact O-CD 3.21Å; P103-S105 PolarHBondContact O-N 3.1Å
104K59.9Low55.7Low190 Ų190145.5 Ų145.583%0.82674%0.742SS**  trans-7492.9-177.9-145.9175.6-173.6-173.40106.9R102 A106R102-K104 PolarHBondContact O-N 3Å; K104-A106 PolarHBondContact O-N 3.06Å
105S54.6Low55.9Low109 Ų109146.3 Ų146.376%0.76273%0.733SS**  trans-64.9103.5170.455.50000107.4P103 S107P103-S105 PolarHBondContact O-N 3.1Å; S105-S107 PolarHBondContact O-N 3.21Å
106A57Low55.8Low90 Ų90144.6 Ų144.674%0.74473%0.726SS**  trans-57.5119.1173.700000108.4K104 A108K104-A106 PolarHBondContact O-N 3.06Å; A106-A108 VanDerWaalsContact C-N 3.29Å; A106-A108 PolarHBondContact O-N 3.06Å
107S51Low55.7Low115 Ų115144.8 Ų144.880%0.80472%0.721SS**SBendtrans-65.383.9174.547.30000109.8S105S105-S107 PolarHBondContact O-N 3.21Å
108A53.1Low55.6Low89 Ų89139.6 Ų139.674%0.73671%0.707SS**  trans-146.75.717200000114.6A106A106-A108 VanDerWaalsContact C-N 3.29Å; A106-A108 PolarHBondContact O-N 3.06Å
109K48.1Very low55.7Low143 Ų143136.6 Ų136.662%0.62270%0.702SS**  trans-13129.6-178.6-87.9-164.3170.1-155.80115.2H111 E112K109-H111 PolarHBondContact O-N 2.95Å; K109-H111 VanDerWaalsContact O-N 3.09Å; K109-E112 WeakPolarHBondContact CE-OE2 3.29Å; K109-E112 IonicContact NZ-OE2 2.73Å; K109-E112 PolarHBondContact NZ-OE2 3.24Å; K109-E112 PolarHBondContact O-N 2.66Å; K109-E112 VanDerWaalsContact O-N 3.14Å
110K53.8Low55.5Low187 Ų187141.6 Ų141.681%0.81371%0.706SS**Hα-helixtrans-60.7-17.7174-80.7-169.7174-174.20113.9
111H53.9Low55.5Low148 Ų148137.6 Ų137.669%0.68570%0.699SS**Hα-helixtrans-86.8-11.3178.1-165.9-95.1000114.2K109K109-H111 PolarHBondContact O-N 2.95Å; K109-H111 VanDerWaalsContact O-N 3.09Å
112E52.9Low55.8Low112 Ų112139.1 Ų139.152%0.52369%0.688SS.*Hα-helixtrans-92.7-34.2173.3-87.5-155.4137.700113.3K109 E114 R115 E116K109-E112 WeakPolarHBondContact CE-OE2 3.29Å; K109-E112 IonicContact NZ-OE2 2.73Å; K109-E112 PolarHBondContact NZ-OE2 3.24Å; K109-E112 PolarHBondContact O-N 2.66Å; K109-E112 VanDerWaalsContact O-N 3.14Å; E112-E114 VanDerWaalsContact C-N 3.27Å; E112-E114 PolarHBondContact O-N 2.73Å; E112-R115 PolarHBondContact O-N 2.83Å; E112-E116 PolarHBondContact O-N 3.12Å
113E52.9Low56.1Low114 Ų114132.7 Ų132.753%0.53367%0.67SS.*Hα-helixtrans-68.9-25-173.7-161.7-177.5159.600113.2E116 K117E113-E116 PolarHBondContact O-N 3.4Å; E113-K117 PolarHBondContact O-N 2.97Å
114E51Low56.7Low135 Ų135133.8 Ų133.863%0.63167%0.668SS**Hα-helixtrans-72.1-31.6173.6-158.2170.5-169.300111.8E112 Q118E112-E114 VanDerWaalsContact C-N 3.27Å; E112-E114 PolarHBondContact O-N 2.73Å; E114-Q118 WeakPolarHBondContact O-CG 3.35Å; E114-Q118 PolarHBondContact O-N 3.4Å
115R54.2Low57.6Low170 Ų170132.4 Ų132.464%0.64266%0.659SS**Hα-helixtrans-72.6-37.8172-71.4-172.8178.1-135.3-0.8112.1E112 K117 Q118 E119E112-R115 PolarHBondContact O-N 2.83Å; R115-K117 VanDerWaalsContact C-N 3.32Å; R115-K117 PolarHBondContact O-N 3.41Å; R115-Q118 PolarHBondContact O-N 3.1Å; R115-E119 PolarHBondContact O-N 3.38Å
116E53.6Low58.8Low117 Ų117130.3 Ų130.355%0.54765%0.649SS.*Hα-helixtrans-72.3-23-178.7-153-176.6-179.500113.3E112 E113E112-E116 PolarHBondContact O-N 3.12Å; E113-E116 PolarHBondContact O-N 3.4Å
117K53.6Low60Low143 Ų143133.1 Ų133.162%0.62265%0.651SS**Hα-helixtrans-81.8-36.9168.4-74.7-175.7-175.8-179.50112.7E113 R115 E119 K120E113-K117 PolarHBondContact O-N 2.97Å; R115-K117 VanDerWaalsContact C-N 3.32Å; R115-K117 PolarHBondContact O-N 3.41Å; K117-E119 PolarHBondContact O-N 2.92Å; K117-K120 PolarHBondContact O-N 3.27Å
118Q53.8Low61.7Low130 Ų130130 Ų13061%0.60763%0.625SS**Hα-helixtrans-64.8-25.6173.1-75.5179.830.200112.5E114 R115 K120E114-Q118 WeakPolarHBondContact O-CG 3.35Å; E114-Q118 PolarHBondContact O-N 3.4Å; R115-Q118 PolarHBondContact O-N 3.1Å; Q118-K120 VanDerWaalsContact C-N 3.28Å; Q118-K120 PolarHBondContact O-N 2.9Å
119E57.4Low63.5Low138 Ų138128.7 Ų128.765%0.64561%0.61SS**G310 helixtrans-66.7-23.5174.6-89.1-174.4161.700114.3R115 K117R115-E119 PolarHBondContact O-N 3.38Å; K117-E119 PolarHBondContact O-N 2.92Å
120K56.1Low65.5Low166 Ų166129 Ų12972%0.72262%0.619SS**G310 helixtrans-84.1-16.1-172.4-69.8-179.3-171.8175.30114.5K117 Q118K117-K120 PolarHBondContact O-N 3.27Å; Q118-K120 VanDerWaalsContact C-N 3.28Å; Q118-K120 PolarHBondContact O-N 2.9Å
121E59Low67.4Low179 Ų179127.3 Ų127.384%0.83661%0.614SS**G310 helixtrans-138.249.8177.3-69.9178.3-174.300108.7D123E121-D123 PolarHBondContact O-N 2.83Å
122I66.2Low69.4Low108 Ų108126 Ų12655%0.55461%0.606SS**  trans-60.8102.7160.8-59.9165.7000104.9I124I122-I124 VanDerWaalsContact C-N 3.28Å; I122-I124 PolarHBondContact O-N 3.05Å
123D71.7Confident71.3Confident90 Ų90122.6 Ų122.648%0.48160%0.597SS.*  trans-62.898.5170.4-1780.5000106.9E121 Y125 A126E121-D123 PolarHBondContact O-N 2.83Å; D123-Y125 PolarHBondContact O-N 3.4Å; D123-Y125 WeakPolarHBondContact OD1-CB 3.16Å; D123-Y125 PolarHBondContact OD1-N 3.26Å; D123-A126 HydrophobicContact CB-CB 3.88Å; D123-A126 WeakPolarHBondContact O-CB 3.37Å; D123-A126 PolarHBondContact O-N 3.04Å
124I75.8Confident73.4Confident136 Ų136123.8 Ų123.870%0.69760%0.601SS**THydrogen-bonded Turntrans-54.7-24.5179.7-63.8167.3000110.1I122I122-I124 VanDerWaalsContact C-N 3.28Å; I122-I124 PolarHBondContact O-N 3.05Å
125Y78.9Confident75.5Confident161 Ų161121.4 Ų121.463%0.63160%0.595SS**THydrogen-bonded Turntrans-90.6-12.8-178.8-55.3-82.8000113.7D123 N127 L128D123-Y125 PolarHBondContact O-N 3.4Å; D123-Y125 WeakPolarHBondContact OD1-CB 3.16Å; D123-Y125 PolarHBondContact OD1-N 3.26Å; Y125-N127 VanDerWaalsContact C-N 3.28Å; Y125-N127 PolarHBondContact O-N 2.87Å; Y125-L128 HydrophobicContact CD1-CD1 3.65Å; Y125-L128 HydrophobicContact CG-CD1 4.29Å; Y125-L128 WeakPolarHBondContact O-CB 3.41Å; Y125-L128 WeakPolarHBondContact O-CG 3.45Å; Y125-L128 PolarHBondContact O-N 2.96Å
126A80.2Confident77.5Confident66 Ų66117.9 Ų117.955%0.54559%0.585SS.*THydrogen-bonded Turntrans-67.8-26.1-178.500000113.7D123D123-A126 HydrophobicContact CB-CB 3.88Å; D123-A126 WeakPolarHBondContact O-CB 3.37Å; D123-A126 PolarHBondContact O-N 3.04Å
127N82.7Confident79.5Confident148 Ų148115.8 Ų115.879%0.79158%0.583SS**THydrogen-bonded Turntrans-98.618.3-179.6-64.7-26.5000113.1Y125Y125-N127 VanDerWaalsContact C-N 3.28Å; Y125-N127 PolarHBondContact O-N 2.87Å
128L87.3Confident81.6Confident51 Ų51112.5 Ų112.527%0.26758%0.575SS.*  trans-78.6142.3175.5-69.7173.4000110.8Y125 K132 F136Y125-L128 HydrophobicContact CD1-CD1 3.65Å; Y125-L128 HydrophobicContact CG-CD1 4.29Å; Y125-L128 WeakPolarHBondContact O-CB 3.41Å; Y125-L128 WeakPolarHBondContact O-CG 3.45Å; Y125-L128 PolarHBondContact O-N 2.96Å; L128-K132 HydrophobicContact CB-CB 4.43Å; L128-K132 HydrophobicContact CD2-CB 4.2Å; L128-K132 HydrophobicContact CD2-CD 3.91Å; L128-F136 HydrophobicContact CD1-CD2 3.8Å; L128-F136 HydrophobicContact CD1-CE2 3.57Å; L128-F136 HydrophobicContact CD2-CE2 4.06Å; L128-F136 HydrophobicContact CG-CE2 4.47Å
129S90.8Very high83.6Confident60 Ų60108.5 Ų108.542%0.4256%0.564SS.*  trans-66.9151.3167.358.70000110.5E131 K132 A133S129-E131 PolarHBondContact O-N 3.34Å; S129-E131 VanDerWaalsContact O-N 3.14Å; S129-K132 PolarHBondContact O-N 3.03Å; S129-K132 WeakPolarHBondContact OG-CG 3.38Å; S129-A133 PolarHBondContact O-N 3.39Å
130D90.2Very high85.5Confident150 Ų150106.9 Ų106.980%0.80256%0.559SS**Hα-helixtrans-54.2-35.5178.7-65.2-26.3000112.4A133 F134D130-A133 PolarHBondContact O-N 3.02Å; D130-F134 WeakPolarHBondContact O-CB 3.32Å; D130-F134 PolarHBondContact O-N 3.18Å
131E93.5Very high87.5Confident152 Ų152101 Ų10171%0.7154%0.542SS*.Hα-helixtrans-62.8-43.7175.6-173.3177.5-164.400112.5S129 F134 V135S129-E131 PolarHBondContact O-N 3.34Å; S129-E131 VanDerWaalsContact O-N 3.14Å; E131-F134 WeakPolarHBondContact O-CB 3.34Å; E131-F134 PolarHBondContact O-N 2.97Å; E131-V135 WeakPolarHBondContact O-CG2 3.29Å; E131-V135 PolarHBondContact O-N 3.46Å
132K94.8Very high89.3Confident120 Ų12096.7 Ų96.752%0.52252%0.522SS..Hα-helixtrans-68.3-41.9176.5-72.3-179.2-178.61780111.1L128 S129 F134 V135 F136L128-K132 HydrophobicContact CB-CB 4.43Å; L128-K132 HydrophobicContact CD2-CB 4.2Å; L128-K132 HydrophobicContact CD2-CD 3.91Å; S129-K132 PolarHBondContact O-N 3.03Å; S129-K132 WeakPolarHBondContact OG-CG 3.38Å; K132-F134 PolarHBondContact O-N 3.26Å; K132-V135 PolarHBondContact O-N 3.3Å; K132-F136 HydrophobicContact CB-CE2 4.16Å; K132-F136 WeakPolarHBondContact O-CD2 3.43Å; K132-F136 WeakPolarHBondContact O-CG 3.32Å; K132-F136 PolarHBondContact O-N 3Å
133A93.7Very high90.8Very high40 Ų4095.7 Ų95.733%0.33152%0.516SS..Hα-helixtrans-58.5-39.6175.100000111.2S129 D130 F136 S137S129-A133 PolarHBondContact O-N 3.39Å; D130-A133 PolarHBondContact O-N 3.02Å; A133-F136 PolarHBondContact O-N 2.95Å; A133-S137 WeakPolarHBondContact O-CB 3.4Å; A133-S137 PolarHBondContact O-N 3.38Å; A133-S137 PolarHBondContact O-OG 2.89Å
134F96.2Very high91.9Very high139 Ų13995.6 Ų95.661%0.6152%0.516SS*.Hα-helixtrans-63.4-48.5174.5-179.8-101.9000112.3D130 E131 K132 F136 S137 V138D130-F134 WeakPolarHBondContact O-CB 3.32Å; D130-F134 PolarHBondContact O-N 3.18Å; E131-F134 WeakPolarHBondContact O-CB 3.34Å; E131-F134 PolarHBondContact O-N 2.97Å; K132-F134 PolarHBondContact O-N 3.26Å; F134-F136 VanDerWaalsContact C-N 3.32Å; F134-F136 PolarHBondContact O-N 3.49Å; F134-S137 WeakPolarHBondContact O-CB 3.29Å; F134-S137 PolarHBondContact O-N 3.48Å; F134-S137 VanDerWaalsContact O-N 3.1Å; F134-V138 HydrophobicContact CD1-CG2 4.35Å; F134-V138 HydrophobicContact CE1-CG2 3.92Å; F134-V138 HydrophobicContact CE2-CG2 4.22Å; F134-V138 HydrophobicContact CZ-CG2 3.85Å; F134-V138 WeakPolarHBondContact O-CG2 3.43Å; F134-V138 PolarHBondContact O-N 2.9Å
135V96.7Very high92.8Very high85 Ų8597.2 Ų97.252%0.51551%0.513SS..Hα-helixtrans-57.3-45.3176.8172.20000111.3E131 K132 S137 V138 A139E131-V135 WeakPolarHBondContact O-CG2 3.29Å; E131-V135 PolarHBondContact O-N 3.46Å; K132-V135 PolarHBondContact O-N 3.3Å; V135-S137 VanDerWaalsContact C-N 3.34Å; V135-S137 PolarHBondContact O-N 3.1Å; V135-V138 PolarHBondContact O-N 3.37Å; V135-A139 WeakPolarHBondContact O-CB 3.45Å; V135-A139 PolarHBondContact O-N 3.02Å
136F95.4Very high93.6Very high96 Ų9695.1 Ų95.142%0.42151%0.507SS..Hα-helixtrans-64.4-38.7176.3-65.7-47.5000112.4L128 K132 A133 F134 V138 A139 L140L128-F136 HydrophobicContact CD1-CD2 3.8Å; L128-F136 HydrophobicContact CD1-CE2 3.57Å; L128-F136 HydrophobicContact CD2-CE2 4.06Å; L128-F136 HydrophobicContact CG-CE2 4.47Å; K132-F136 HydrophobicContact CB-CE2 4.16Å; K132-F136 WeakPolarHBondContact O-CD2 3.43Å; K132-F136 WeakPolarHBondContact O-CG 3.32Å; K132-F136 PolarHBondContact O-N 3Å; A133-F136 PolarHBondContact O-N 2.95Å; F134-F136 VanDerWaalsContact C-N 3.32Å; F134-F136 PolarHBondContact O-N 3.49Å; F136-V138 PolarHBondContact O-N 3.47Å; F136-A139 PolarHBondContact O-N 2.85Å; F136-L140 WeakPolarHBondContact O-CB 3.49Å; F136-L140 VanDerWaalsContact O-CG 3.29Å; F136-L140 WeakPolarHBondContact O-CG 3.38Å; F136-L140 PolarHBondContact O-N 2.95Å
137S94.9Very high94.3Very high73 Ų7395.3 Ų95.351%0.5150%0.499SS..Hα-helixtrans-61.5-44.5177-60.70000111.6A133 F134 V135 A141A133-S137 WeakPolarHBondContact O-CB 3.4Å; A133-S137 PolarHBondContact O-N 3.38Å; A133-S137 PolarHBondContact O-OG 2.89Å; F134-S137 WeakPolarHBondContact O-CB 3.29Å; F134-S137 PolarHBondContact O-N 3.48Å; F134-S137 VanDerWaalsContact O-N 3.1Å; V135-S137 VanDerWaalsContact C-N 3.34Å; V135-S137 PolarHBondContact O-N 3.1Å; S137-A141 WeakPolarHBondContact O-CB 3.36Å; S137-A141 PolarHBondContact O-N 2.85Å
138V97.7Very high94.8Very high74 Ų7493 Ų9345%0.44849%0.485SS..Hα-helixtrans-62.5-46.7175.2174.10000110.8F134 V135 F136 L140 A141 E142F134-V138 HydrophobicContact CD1-CG2 4.35Å; F134-V138 HydrophobicContact CE1-CG2 3.92Å; F134-V138 HydrophobicContact CE2-CG2 4.22Å; F134-V138 HydrophobicContact CZ-CG2 3.85Å; F134-V138 WeakPolarHBondContact O-CG2 3.43Å; F134-V138 PolarHBondContact O-N 2.9Å; V135-V138 PolarHBondContact O-N 3.37Å; F136-V138 PolarHBondContact O-N 3.47Å; V138-L140 PolarHBondContact O-N 2.96Å; V138-A141 PolarHBondContact O-N 2.97Å; V138-E142 PolarHBondContact O-N 3.35Å
139A97.5Very high94.9Very high47 Ų4795.1 Ų95.139%0.38850%0.497SS..Hα-helixtrans-62.1-43.1-179.900000112.7V135 F136 E142 I143V135-A139 WeakPolarHBondContact O-CB 3.45Å; V135-A139 PolarHBondContact O-N 3.02Å; F136-A139 PolarHBondContact O-N 2.85Å; A139-E142 WeakPolarHBondContact O-CB 3.05Å; A139-E142 PolarHBondContact O-N 3.24Å; A139-I143 VanDerWaalsContact O-CG1 3.32Å; A139-I143 WeakPolarHBondContact O-CG1 3.4Å; A139-I143 PolarHBondContact O-N 3.37Å
140L96.9Very high94.7Very high103 Ų10398.6 Ų98.654%0.53951%0.506SS..Hα-helixtrans-65.4-39.6176.6-71.5172.2000111.6F136 V138 I143 N144F136-L140 WeakPolarHBondContact O-CB 3.49Å; F136-L140 VanDerWaalsContact O-CG 3.29Å; F136-L140 WeakPolarHBondContact O-CG 3.38Å; F136-L140 PolarHBondContact O-N 2.95Å; V138-L140 PolarHBondContact O-N 2.96Å; L140-I143 PolarHBondContact O-N 2.97Å; L140-N144 WeakPolarHBondContact O-CB 3.36Å; L140-N144 PolarHBondContact O-N 3.24Å; L140-N144 PolarHBondContact O-ND2 3.21Å
141A97.4Very high94.2Very high43 Ų43100.3 Ų100.336%0.35550%0.502SS..Hα-helixtrans-61.9-43174.800000111.8S137 V138 N144 R145S137-A141 WeakPolarHBondContact O-CB 3.36Å; S137-A141 PolarHBondContact O-N 2.85Å; V138-A141 PolarHBondContact O-N 2.97Å; A141-N144 PolarHBondContact O-N 3.4Å; A141-R145 VanDerWaalsContact O-CG 3.29Å; A141-R145 WeakPolarHBondContact O-CG 3.36Å; A141-R145 PolarHBondContact O-N 3.2Å
142E97.5Very high93.2Very high89 Ų8999.6 Ų99.642%0.41650%0.502SS..Hα-helixtrans-59.7-47.2176-173.576.1-159.300111.7V138 A139 R145 K146V138-E142 PolarHBondContact O-N 3.35Å; A139-E142 WeakPolarHBondContact O-CB 3.05Å; A139-E142 PolarHBondContact O-N 3.24Å; E142-R145 PolarHBondContact O-N 3.49Å; E142-K146 WeakPolarHBondContact O-CG 3.41Å; E142-K146 PolarHBondContact O-N 3.06Å; E142-K146 VanDerWaalsContact O-N 3.1Å; E142-K146 WeakPolarHBondContact OE1-CE 3.46Å; E142-K146 IonicContact OE1-NZ 3.59Å
143I97.2Very high91.9Very high86 Ų86100.8 Ų100.844%0.44151%0.513SS..Hα-helixtrans-62.5-46.4177.7-68.3165000110.6A139 L140 R145 K146 I147A139-I143 VanDerWaalsContact O-CG1 3.32Å; A139-I143 WeakPolarHBondContact O-CG1 3.4Å; A139-I143 PolarHBondContact O-N 3.37Å; L140-I143 PolarHBondContact O-N 2.97Å; I143-R145 VanDerWaalsContact C-N 3.32Å; I143-R145 PolarHBondContact O-N 3.05Å; I143-K146 PolarHBondContact O-N 3.26Å; I143-K146 VanDerWaalsContact O-N 3.12Å; I143-I147 HydrophobicContact CG2-CD1 3.7Å; I143-I147 HydrophobicContact CG2-CG1 4.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.4Å; I143-I147 PolarHBondContact O-N 3.23Å
144N94.9Very high90.1Very high89 Ų89109 Ų10948%0.47655%0.55SS.*Hα-helixtrans-61.7-40.4-179.8-72.7-19.5000111.8L140 A141 I147 I148L140-N144 WeakPolarHBondContact O-CB 3.36Å; L140-N144 PolarHBondContact O-N 3.24Å; L140-N144 PolarHBondContact O-ND2 3.21Å; A141-N144 PolarHBondContact O-N 3.4Å; N144-I147 PolarHBondContact O-N 3.03Å; N144-I148 VanDerWaalsContact O-CG1 3.32Å; N144-I148 WeakPolarHBondContact O-CG1 3.38Å; N144-I148 PolarHBondContact O-N 3.37Å; N144-I148 VanDerWaalsContact O-N 3.09Å
145R95.1Very high89.8Confident169 Ų169107.6 Ų107.664%0.63855%0.547SS*.Hα-helixtrans-59.4-45.8172.8-73.6171.5-179.9-171.6-0.1111.6A141 E142 I143 I148 N149A141-R145 VanDerWaalsContact O-CG 3.29Å; A141-R145 WeakPolarHBondContact O-CG 3.36Å; A141-R145 PolarHBondContact O-N 3.2Å; E142-R145 PolarHBondContact O-N 3.49Å; I143-R145 VanDerWaalsContact C-N 3.32Å; I143-R145 PolarHBondContact O-N 3.05Å; R145-I148 PolarHBondContact O-N 3.34Å; R145-N149 VanDerWaalsContact O-CG 3.26Å; R145-N149 PolarHBondContact O-N 2.87Å; R145-N149 VanDerWaalsContact O-N 3.09Å; R145-N149 PolarHBondContact O-ND2 3Å
146K95.3Very high89.5Confident117 Ų117108.7 Ų108.751%0.50955%0.549SS..Hα-helixtrans-63.7-41.9178.9-71.9176-176.4174.70112.4E142 I143 N149 Q150E142-K146 WeakPolarHBondContact O-CG 3.41Å; E142-K146 PolarHBondContact O-N 3.06Å; E142-K146 VanDerWaalsContact O-N 3.1Å; E142-K146 WeakPolarHBondContact OE1-CE 3.46Å; E142-K146 IonicContact OE1-NZ 3.59Å; I143-K146 PolarHBondContact O-N 3.26Å; I143-K146 VanDerWaalsContact O-N 3.12Å; K146-N149 PolarHBondContact O-N 2.71Å; K146-Q150 WeakPolarHBondContact O-CG 3.49Å; K146-Q150 PolarHBondContact O-N 3.33Å; K146-Q150 VanDerWaalsContact O-N 3.08Å
147I94.9Very high89.1Confident70 Ų70109.4 Ų109.436%0.35956%0.556SS.*Hα-helixtrans-63.9-44.5178.6-68.4169.8000111.3I143 N144 Q150 R151I143-I147 HydrophobicContact CG2-CD1 3.7Å; I143-I147 HydrophobicContact CG2-CG1 4.31Å; I143-I147 WeakPolarHBondContact O-CG1 3.4Å; I143-I147 PolarHBondContact O-N 3.23Å; N144-I147 PolarHBondContact O-N 3.03Å; I147-Q150 PolarHBondContact O-N 3.33Å; I147-R151 WeakPolarHBondContact O-CG 3.5Å; I147-R151 PolarHBondContact O-N 2.73Å
148I92.3Very high88.8Confident101 Ų101111.6 Ų111.652%0.51856%0.559SS.*Hα-helixtrans-63.5-45.3179.3-67.2166.7000110.3N144 R145 Q150 R151 L152N144-I148 VanDerWaalsContact O-CG1 3.32Å; N144-I148 WeakPolarHBondContact O-CG1 3.38Å; N144-I148 PolarHBondContact O-N 3.37Å; N144-I148 VanDerWaalsContact O-N 3.09Å; R145-I148 PolarHBondContact O-N 3.34Å; I148-Q150 VanDerWaalsContact C-N 3.31Å; I148-Q150 PolarHBondContact O-N 3.14Å; I148-R151 PolarHBondContact O-N 2.88Å; I148-R151 VanDerWaalsContact O-N 3.13Å; I148-L152 PolarHBondContact O-N 2.95Å
149N89.7Confident88.2Confident95 Ų95113.9 Ų113.951%0.50857%0.565SS.*Hα-helixtrans-64.1-34.1-179.9-69.4-13.6000112.9R145 K146 L152 I153R145-N149 VanDerWaalsContact O-CG 3.26Å; R145-N149 PolarHBondContact O-N 2.87Å; R145-N149 VanDerWaalsContact O-N 3.09Å; R145-N149 PolarHBondContact O-ND2 3Å; K146-N149 PolarHBondContact O-N 2.71Å; N149-L152 PolarHBondContact O-N 3.39Å; N149-I153 WeakPolarHBondContact O-CD1 3.45Å; N149-I153 WeakPolarHBondContact O-CG1 3.49Å
150Q86.4Confident87.6Confident132 Ų132118.4 Ų118.462%0.61758%0.577SS**Hα-helixtrans-67-37.4174.1-73.117512.400112.5K146 I147 I148 L152 I153K146-Q150 WeakPolarHBondContact O-CG 3.49Å; K146-Q150 PolarHBondContact O-N 3.33Å; K146-Q150 VanDerWaalsContact O-N 3.08Å; I147-Q150 PolarHBondContact O-N 3.33Å; I148-Q150 VanDerWaalsContact C-N 3.31Å; I148-Q150 PolarHBondContact O-N 3.14Å; Q150-L152 PolarHBondContact O-N 3.09Å; Q150-I153 PolarHBondContact O-N 3.14Å
151R80Confident87Confident186 Ų186119.5 Ų119.570%0.70258%0.58SS**Hα-helixtrans-69.3-21.8178.2-71.1-178.4-178-175.41.4113.5I147 I148 I153I147-R151 WeakPolarHBondContact O-CG 3.5Å; I147-R151 PolarHBondContact O-N 2.73Å; I148-R151 PolarHBondContact O-N 2.88Å; I148-R151 VanDerWaalsContact O-N 3.13Å; R151-I153 VanDerWaalsContact C-N 3.26Å
152L73.7Confident86.2Confident137 Ų137125.4 Ų125.472%0.71760%0.597SS**THydrogen-bonded Turntrans-79.5-10174.7-65.8175.1000112.9I148 N149 Q150I148-L152 PolarHBondContact O-N 2.95Å; N149-L152 PolarHBondContact O-N 3.39Å; Q150-L152 PolarHBondContact O-N 3.09Å
153I67.3Low85.2Confident146 Ų146128.4 Ų128.475%0.74961%0.612SS**  trans-102.8-9.5-177.3-60.7167.8000111.9N149 Q150 R151N149-I153 WeakPolarHBondContact O-CD1 3.45Å; N149-I153 WeakPolarHBondContact O-CG1 3.49Å; Q150-I153 PolarHBondContact O-N 3.14Å; R151-I153 VanDerWaalsContact C-N 3.26Å
154L55.8Low84.1Confident213 Ų213132.3 Ų132.3100%1.11563%0.628SS**  trans-101.20174.6-69.2174000111

Retrieved 154 of 154 residues in 168.6 ms (Link to these results)