A0A061HTU9_CRIGR Loading...

Coiled-coil glutamate-rich protein 2

AlphaFold DB , UniProt , Accession A0A061HTU9, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 270 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
1M46.3Very low51.6Low220 Ų220116.1 Ų116.1100%1.08474%0.744SS**  0131.30-58.9-60.1178.700107
2P46.9Very low52.2Low129 Ų129115.5 Ų115.584%0.83873%0.729SS**  cis-121168.523.534.5-17.6000115
3H52.2Low53.1Low182 Ų182112.2 Ų112.284%0.84371%0.709SS**  trans-68147.6165.4-70.9-92.6000111.6
4G40.2Very low53.8Low77 Ų77112.1 Ų112.179%0.79470%0.7SS**  trans-149.2119.9169.400000110.4
5A53.8Low54.3Low91 Ų91111.3 Ų111.375%0.75269%0.689SS**  trans-61.1161.1-164.900000116.8T7A5-T7 PolarHBondContact O-N 3.45Å
6P50.1Low54.8Low108 Ų108110.6 Ų110.670%0.70168%0.678SS**  trans-73.2123.4173.830.9-33.2000110.6S8P6-S8 PolarHBondContact O-N 2.86Å
7T53.5Low55.2Low132 Ų132110.5 Ų110.581%0.8168%0.677SS**THydrogen-bonded Turntrans-68.38.7172.942.20000114A5A5-T7 PolarHBondContact O-N 3.45Å
8S55.9Low55.4Low87 Ų87111.2 Ų111.261%0.60868%0.675SS**THydrogen-bonded Turntrans-89.1-10.6-173-149.20000114.4P6P6-S8 PolarHBondContact O-N 2.86Å
9A55.6Low55.6Low71 Ų71111.9 Ų111.959%0.58767%0.674SS**SBendtrans-86.6-17.8-177.200000114.2P13A9-P13 WeakPolarHBondContact O-CD 3.49Å
10A56.7Low55.6Low73 Ų73113.2 Ų113.260%0.60368%0.676SS**SBendtrans-87-16.4-17700000114P13A10-P13 WeakPolarHBondContact O-CG 3.23Å
11L56.5Low55.5Low107 Ų107110.9 Ų110.956%0.5668%0.676SS**Hα-helixtrans-87.3-24.6179.7-66.6172.2000113L14 L15L11-L14 PolarHBondContact O-N 2.91Å; L11-L15 WeakPolarHBondContact O-CB 3.43Å; L11-L15 WeakPolarHBondContact O-CG 3.29Å; L11-L15 PolarHBondContact O-N 3.01Å
12L59.2Low55.6Low109 Ų109104.1 Ų104.157%0.57166%0.655SS**Hα-helixtrans-59.9-50.2175.2-81.3160.8000113.3L14 L15 L16L12-L14 VanDerWaalsContact C-N 3.28Å; L12-L14 PolarHBondContact O-N 3.4Å; L12-L15 PolarHBondContact O-N 3.39Å; L12-L16 WeakPolarHBondContact O-CB 3.3Å; L12-L16 WeakPolarHBondContact O-CD1 3.37Å; L12-L16 PolarHBondContact O-N 3.17Å
13P63.8Low55.6Low72 Ų72103.7 Ų103.747%0.46865%0.65SS.*Hα-helixtrans-65.8-32177.823.8-32.4000112.3A9 A10 L16 V17A9-P13 WeakPolarHBondContact O-CD 3.49Å; A10-P13 WeakPolarHBondContact O-CG 3.23Å; P13-L16 PolarHBondContact O-N 3.23Å; P13-V17 VanDerWaalsContact O-CG2 3.32Å; P13-V17 WeakPolarHBondContact O-CG2 3.36Å; P13-V17 PolarHBondContact O-N 3.43Å
14L61.8Low55.2Low111 Ų111100.3 Ų100.358%0.58165%0.647SS**Hα-helixtrans-69.1-41.4177.2-144.378.3000111.6L11 L12 V17 L18L11-L14 PolarHBondContact O-N 2.91Å; L12-L14 VanDerWaalsContact C-N 3.28Å; L12-L14 PolarHBondContact O-N 3.4Å; L14-V17 PolarHBondContact O-N 3.49Å; L14-L18 WeakPolarHBondContact O-CD1 3.48Å; L14-L18 PolarHBondContact O-N 3.39Å
15L61.6Low55.6Low101 Ų101101.1 Ų101.153%0.52964%0.64SS.*Hα-helixtrans-65.9-37.4173.3-82162.1000112.3L11 L12 L18 L19L11-L15 WeakPolarHBondContact O-CB 3.43Å; L11-L15 WeakPolarHBondContact O-CG 3.29Å; L11-L15 PolarHBondContact O-N 3.01Å; L12-L15 PolarHBondContact O-N 3.39Å; L15-L18 PolarHBondContact O-N 3.34Å; L15-L19 WeakPolarHBondContact O-CB 3.46Å; L15-L19 WeakPolarHBondContact O-CD1 3.35Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.27Å; L15-L19 PolarHBondContact O-N 2.98Å
16L62.2Low55.3Low100 Ų10099.9 Ų99.952%0.52463%0.63SS.*Hα-helixtrans-64.3-40.4174.4-91.1145.8000112.1L12 P13 L19 L20L12-L16 WeakPolarHBondContact O-CB 3.3Å; L12-L16 WeakPolarHBondContact O-CD1 3.37Å; L12-L16 PolarHBondContact O-N 3.17Å; P13-L16 PolarHBondContact O-N 3.23Å; L16-L19 PolarHBondContact O-N 3.33Å; L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 VanDerWaalsContact O-CD1 3.3Å; L16-L20 WeakPolarHBondContact O-CD1 3.38Å; L16-L20 PolarHBondContact O-N 3.28Å
17V62.4Low55.1Low108 Ų108100.3 Ų100.366%0.65563%0.633SS**Hα-helixtrans-67-38.4174.8172.90000111.6P13 L14 L20 G21P13-V17 VanDerWaalsContact O-CG2 3.32Å; P13-V17 WeakPolarHBondContact O-CG2 3.36Å; P13-V17 PolarHBondContact O-N 3.43Å; L14-V17 PolarHBondContact O-N 3.49Å; V17-L20 PolarHBondContact O-N 2.93Å; V17-G21 PolarHBondContact O-N 2.64Å
18L58.8Low54.9Low124 Ų124101.9 Ų101.965%0.64964%0.635SS**Hα-helixtrans-66.1-36173.8-95.5140.4000112.9L14 L15L14-L18 WeakPolarHBondContact O-CD1 3.48Å; L14-L18 PolarHBondContact O-N 3.39Å; L15-L18 PolarHBondContact O-N 3.34Å
19L58.2Low54.9Low124 Ų124102.9 Ų102.965%0.64963%0.63SS**Hα-helixtrans-77-31.1176.5-74163000112.7L15 L16 G21 A22L15-L19 WeakPolarHBondContact O-CB 3.46Å; L15-L19 WeakPolarHBondContact O-CD1 3.35Å; L15-L19 VanDerWaalsContact O-CG 3.29Å; L15-L19 WeakPolarHBondContact O-CG 3.27Å; L15-L19 PolarHBondContact O-N 2.98Å; L16-L19 PolarHBondContact O-N 3.33Å; L19-G21 VanDerWaalsContact C-N 3.29Å; L19-G21 PolarHBondContact O-N 2.97Å; L19-A22 PolarHBondContact O-N 3.43Å
20L56.9Low55.3Low137 Ų137105 Ų10572%0.71764%0.638SS**Hα-helixtrans-72.2-20.1173.9-100.369.8000113.2L16 V17 A22L16-L20 WeakPolarHBondContact O-CB 3.36Å; L16-L20 VanDerWaalsContact O-CD1 3.3Å; L16-L20 WeakPolarHBondContact O-CD1 3.38Å; L16-L20 PolarHBondContact O-N 3.28Å; V17-L20 PolarHBondContact O-N 2.93Å; L20-A22 VanDerWaalsContact C-N 3.31Å
21G53.5Low55.7Low65 Ų65110 Ų11067%0.6764%0.641SS**THydrogen-bonded Turntrans-80.9-3.5175.800000115.1V17 L19V17-G21 PolarHBondContact O-N 2.64Å; L19-G21 VanDerWaalsContact C-N 3.29Å; L19-G21 PolarHBondContact O-N 2.97Å
22A47.5Very low56.5Low79 Ų79106.2 Ų106.265%0.65362%0.623SS**THydrogen-bonded Turntrans-109.820.9-175.900000113.9L19 L20 S24L19-A22 PolarHBondContact O-N 3.43Å; L20-A22 VanDerWaalsContact C-N 3.31Å; A22-S24 VanDerWaalsContact C-N 3.32Å; A22-S24 PolarHBondContact O-N 2.94Å
23V47.7Very low57.6Low119 Ų119104.1 Ų104.172%0.72161%0.612SS**  trans-96.174.8155.8174.90000106.6S25V23-S25 PolarHBondContact O-N 3.38Å
24S44.1Very low58.6Low112 Ų112108.7 Ų108.778%0.78363%0.625SS**  trans-7185.5151.3-172.10000105.3A22 A26A22-S24 VanDerWaalsContact C-N 3.32Å; A22-S24 PolarHBondContact O-N 2.94Å; S24-A26 PolarHBondContact O-N 3.22Å
25S47.6Very low60Low94 Ų94109.1 Ų109.166%0.65762%0.624SS**  trans-63.391.6152.756.10000104.6V23 P27V23-S25 PolarHBondContact O-N 3.38Å; S25-P27 VanDerWaalsContact O-N 3.1Å
26A47.7Very low61.4Low64 Ų64107.8 Ų107.853%0.52962%0.615SS.*  trans-43.2123.5155.800000104.9S24 L28S24-A26 PolarHBondContact O-N 3.22Å; A26-L28 VanDerWaalsContact C-N 3.33Å; A26-L28 PolarHBondContact O-N 3.44Å
27P45.4Very low62.9Low117 Ų117104.8 Ų104.876%0.7660%0.599SS**  trans-54.3112173.3-4.911.3000104.6S25 E29S25-P27 VanDerWaalsContact O-N 3.1Å; P27-E29 PolarHBondContact O-N 2.92Å
28L50.2Low64.4Low166 Ų166104 Ų10487%0.86960%0.595SS**  trans-67.979.3160.6-66.9175.4000103A26 P30A26-L28 VanDerWaalsContact C-N 3.33Å; A26-L28 PolarHBondContact O-N 3.44Å; L28-P30 WeakPolarHBondContact O-CD 3.43Å
29E56.4Low66.1Low108 Ų108104.5 Ų104.551%0.50559%0.588SS.*  trans-37.2116.7164.1-97.2-102.8172.700105.9P27 R31 K65P27-E29 PolarHBondContact O-N 2.92Å; E29-R31 PolarHBondContact O-N 3.38Å; E29-K65 IonicContact OE1-NZ 3.88Å; E29-K65 PolarHBondContact OE1-NZ 3Å; E29-K65 WeakPolarHBondContact OE2-CE 3.49Å; E29-K65 IonicContact OE2-NZ 3.96Å; E29-K65 PolarHBondContact OE2-NZ 3.45Å
30P62.3Low67.9Low114 Ų11499.1 Ų99.174%0.7456%0.561SS**  trans-49.2114.6179-26.333.2000107.1L28L28-P30 WeakPolarHBondContact O-CD 3.43Å
31R66.3Low69.7Low179 Ų17997 Ų9768%0.67555%0.55SS*.PPolyproline II helixtrans-57.2127.9175-102.5-172.1164.5118.62.6106.3E29 N33 R70E29-R31 PolarHBondContact O-N 3.38Å; R31-N33 PolarHBondContact O-N 3.36Å; R31-R70 VanDerWaalsContact CG-NH1 3.29Å; R31-R70 VanDerWaalsContact CG-NH2 3.31Å; R31-R70 VanDerWaalsContact CZ-CZ 3.48Å
32P72.6Confident71.8Confident28 Ų2896.4 Ų96.418%0.18254%0.538CS..PPolyproline II helixtrans-55.8130.8169.725-31.6000107L37 L62P32-L37 HydrophobicContact CB-CD1 4.48Å; P32-L37 HydrophobicContact CB-CD2 4.48Å; P32-L37 HydrophobicContact CB-CG 4.12Å; P32-L37 HydrophobicContact CG-CD1 4.17Å; P32-L37 HydrophobicContact CG-CD2 4.22Å; P32-L37 HydrophobicContact CG-CG 4.15Å; P32-L62 HydrophobicContact CB-CD1 4.11Å; P32-L62 HydrophobicContact CB-CD2 3.85Å; P32-L62 HydrophobicContact CB-CG 4.18Å; P32-L62 HydrophobicContact CG-CD2 4.1Å
33N81.8Confident74.1Confident64 Ų6496 Ų9634%0.34253%0.525SS..PPolyproline II helixtrans-67.4157179.261.650.7000109.1R31 E35 E36 L37R31-N33 PolarHBondContact O-N 3.36Å; N33-E35 PolarHBondContact O-N 3.24Å; N33-E35 PolarHBondContact OD1-N 3.38Å; N33-E36 VanDerWaalsContact CG-CD 3.48Å; N33-E36 PolarHBondContact N-OE2 2.99Å; N33-E36 PolarHBondContact ND2-OE1 3.49Å; N33-E36 PolarHBondContact ND2-OE2 3.01Å; N33-E36 PolarHBondContact O-N 3.25Å; N33-E36 VanDerWaalsContact O-N 3.13Å; N33-E36 WeakPolarHBondContact OD1-CA 3.44Å; N33-E36 WeakPolarHBondContact OD1-CB 3.44Å; N33-E36 WeakPolarHBondContact OD1-CG 3.18Å; N33-E36 PolarHBondContact OD1-N 3.44Å; N33-L37 PolarHBondContact O-N 2.94Å; N33-L37 VanDerWaalsContact O-N 3.11Å
34K86.2Confident76.4Confident168 Ų16891.1 Ų91.173%0.7350%0.496SS*.Hα-helixtrans-61.7-32.2-175.3-71.5-176.4177.8-178.10111L37 T38K34-L37 PolarHBondContact O-N 2.93Å; K34-T38 WeakPolarHBondContact O-CG2 3.46Å; K34-T38 PolarHBondContact O-N 3.42Å; K34-T38 PolarHBondContact O-OG1 3.06Å; K34-T38 VanDerWaalsContact O-OG1 3.14Å
35E90.4Very high78.9Confident121 Ų12189.2 Ų89.257%0.56548%0.479SS*.Hα-helixtrans-69.4-32.3179.1-59.274.5-162.400112.6N33 T38 R39N33-E35 PolarHBondContact O-N 3.24Å; N33-E35 PolarHBondContact OD1-N 3.38Å; E35-T38 WeakPolarHBondContact CA-OG1 3.49Å; E35-T38 PolarHBondContact O-OG1 3.03Å; E35-T38 VanDerWaalsContact O-OG1 3.11Å; E35-R39 VanDerWaalsContact O-CB 3.29Å; E35-R39 WeakPolarHBondContact O-CB 3.35Å; E35-R39 PolarHBondContact O-N 3.44Å; E35-R39 VanDerWaalsContact O-N 3.1Å
36E92.2Very high81.3Confident73 Ų7390.2 Ų90.234%0.34148%0.475SS..Hα-helixtrans-74.6-40.6174.2-86.2163-165.100111.2N33 R39 C40N33-E36 VanDerWaalsContact CG-CD 3.48Å; N33-E36 PolarHBondContact N-OE2 2.99Å; N33-E36 PolarHBondContact ND2-OE1 3.49Å; N33-E36 PolarHBondContact ND2-OE2 3.01Å; N33-E36 PolarHBondContact O-N 3.25Å; N33-E36 VanDerWaalsContact O-N 3.13Å; N33-E36 WeakPolarHBondContact OD1-CA 3.44Å; N33-E36 WeakPolarHBondContact OD1-CB 3.44Å; N33-E36 WeakPolarHBondContact OD1-CG 3.18Å; N33-E36 PolarHBondContact OD1-N 3.44Å; E36-R39 VanDerWaalsContact CG-NH1 3.33Å; E36-R39 PolarHBondContact O-N 2.96Å; E36-C40 VanDerWaalsContact O-CB 3.29Å; E36-C40 WeakPolarHBondContact O-CB 3.25Å; E36-C40 PolarHBondContact O-N 3.32Å
37L91.9Very high83.5Confident37 Ų3789.6 Ų89.619%0.19446%0.461CS..Hα-helixtrans-62.4-46.8175.2-78.3163.5000111.3P32 N33 K34 C40 L41 L62 L63 E66P32-L37 HydrophobicContact CB-CD1 4.48Å; P32-L37 HydrophobicContact CB-CD2 4.48Å; P32-L37 HydrophobicContact CB-CG 4.12Å; P32-L37 HydrophobicContact CG-CD1 4.17Å; P32-L37 HydrophobicContact CG-CD2 4.22Å; P32-L37 HydrophobicContact CG-CG 4.15Å; N33-L37 PolarHBondContact O-N 2.94Å; N33-L37 VanDerWaalsContact O-N 3.11Å; K34-L37 PolarHBondContact O-N 2.93Å; L37-C40 PolarHBondContact O-N 3.04Å; L37-L41 WeakPolarHBondContact O-CB 3.37Å; L37-L41 PolarHBondContact O-N 3.09Å; L37-L62 HydrophobicContact CD2-CD2 3.32Å; L37-L62 HydrophobicContact CG-CD2 4.09Å; L37-L63 HydrophobicContact CD2-CD2 4.11Å; L37-E66 HydrophobicContact CD1-CG 4.24Å; L37-E66 HydrophobicContact CD2-CB 4Å; L37-E66 HydrophobicContact CD2-CG 3.92Å
38T93.9Very high86Confident91 Ų9187.1 Ų87.156%0.55844%0.443SS*.Hα-helixtrans-66.7-39.4178.653.30000112K34 E35 L41 A42K34-T38 WeakPolarHBondContact O-CG2 3.46Å; K34-T38 PolarHBondContact O-N 3.42Å; K34-T38 PolarHBondContact O-OG1 3.06Å; K34-T38 VanDerWaalsContact O-OG1 3.14Å; E35-T38 WeakPolarHBondContact CA-OG1 3.49Å; E35-T38 PolarHBondContact O-OG1 3.03Å; E35-T38 VanDerWaalsContact O-OG1 3.11Å; T38-L41 PolarHBondContact O-N 3.11Å; T38-A42 WeakPolarHBondContact O-CB 3.42Å; T38-A42 PolarHBondContact O-N 2.84Å
39R95.6Very high88.2Confident134 Ų13486 Ų8651%0.50644%0.437SS..Hα-helixtrans-60.3-49.9172.8-173.3-171-53.6109.57.2111.4E35 E36 L41 A42 D43E35-R39 VanDerWaalsContact O-CB 3.29Å; E35-R39 WeakPolarHBondContact O-CB 3.35Å; E35-R39 PolarHBondContact O-N 3.44Å; E35-R39 VanDerWaalsContact O-N 3.1Å; E36-R39 VanDerWaalsContact CG-NH1 3.33Å; E36-R39 PolarHBondContact O-N 2.96Å; R39-L41 VanDerWaalsContact C-N 3.29Å; R39-L41 PolarHBondContact O-N 3.42Å; R39-A42 WeakPolarHBondContact O-CB 3.42Å; R39-A42 PolarHBondContact O-N 3.27Å; R39-A42 VanDerWaalsContact O-N 3.15Å; R39-D43 PolarHBondContact O-N 3.34Å
40C95.4Very high90.1Very high11 Ų1185.5 Ų85.57%0.07444%0.442CS..Hα-helixtrans-65.6-33.6-179.6-860000113.1E36 L37 V44 C59 L63E36-C40 VanDerWaalsContact O-CB 3.29Å; E36-C40 WeakPolarHBondContact O-CB 3.25Å; E36-C40 PolarHBondContact O-N 3.32Å; L37-C40 PolarHBondContact O-N 3.04Å; C40-V44 WeakPolarHBondContact O-CB 3.46Å; C40-V44 VanDerWaalsContact O-CG2 3.31Å; C40-V44 WeakPolarHBondContact O-CG2 3.43Å; C40-V44 PolarHBondContact O-N 3.5Å; C40-C59 WeakPolarHBondContact CA-SG 3.48Å; C40-C59 HydrophobicContact CB-CB 3.34Å; C40-C59 WeakPolarHBondContact CB-SG 3.4Å; C40-C59 WeakPolarHBondContact SG-CA 3.43Å; C40-C59 WeakPolarHBondContact SG-CB 3.5Å; C40-C59 CovalentContact SG-SG 2.06Å; C40-C59 PolarHBondContact SG-SG 3.46Å; C40-L63 HydrophobicContact CB-CG 4.47Å
41L95.8Very high91.6Very high94 Ų9484.6 Ų84.649%0.49243%0.431SS..Hα-helixtrans-63.8-46.4171.4-177.164.1000110.9L37 T38 R39 D43 V44 V45 L63L37-L41 WeakPolarHBondContact O-CB 3.37Å; L37-L41 PolarHBondContact O-N 3.09Å; T38-L41 PolarHBondContact O-N 3.11Å; R39-L41 VanDerWaalsContact C-N 3.29Å; R39-L41 PolarHBondContact O-N 3.42Å; L41-D43 VanDerWaalsContact C-N 3.34Å; L41-D43 PolarHBondContact O-N 2.92Å; L41-V44 PolarHBondContact O-N 3.36Å; L41-V45 HydrophobicContact CD1-CG2 4.2Å; L41-V45 HydrophobicContact CG-CG2 4.37Å; L41-V45 WeakPolarHBondContact O-CB 3.42Å; L41-V45 WeakPolarHBondContact O-CG2 3.46Å; L41-V45 PolarHBondContact O-N 3.44Å; L41-L63 HydrophobicContact CB-CD2 4.46Å; L41-L63 HydrophobicContact CD1-CD1 4.37Å
42A96.9Very high93Very high52 Ų5279.1 Ų79.143%0.4343%0.43SS..Hα-helixtrans-60.6-43.3177.500000112T38 R39 V45 M46T38-A42 WeakPolarHBondContact O-CB 3.42Å; T38-A42 PolarHBondContact O-N 2.84Å; R39-A42 WeakPolarHBondContact O-CB 3.42Å; R39-A42 PolarHBondContact O-N 3.27Å; R39-A42 VanDerWaalsContact O-N 3.15Å; A42-V45 PolarHBondContact O-N 3.4Å; A42-M46 VanDerWaalsContact O-CB 3.29Å; A42-M46 WeakPolarHBondContact O-CB 3.39Å; A42-M46 PolarHBondContact O-N 2.72Å
43D95.7Very high93.8Very high69 Ų6984.4 Ų84.437%0.36945%0.452SS..Hα-helixtrans-62.9-46.9177.7-71.5-13.1000111.3R39 L41 M46 E47R39-D43 PolarHBondContact O-N 3.34Å; L41-D43 VanDerWaalsContact C-N 3.34Å; L41-D43 PolarHBondContact O-N 2.92Å; D43-M46 PolarHBondContact O-N 2.93Å; D43-E47 WeakPolarHBondContact O-CG 3.3Å; D43-E47 PolarHBondContact O-N 3Å
44V96.6Very high94.2Very high18 Ų1883.5 Ų83.511%0.10945%0.454CS..Hα-helixtrans-66.7-40.1178.9171.10000111.8C40 L41 M46 E47 V48 A54 C59 L63C40-V44 WeakPolarHBondContact O-CB 3.46Å; C40-V44 VanDerWaalsContact O-CG2 3.31Å; C40-V44 WeakPolarHBondContact O-CG2 3.43Å; C40-V44 PolarHBondContact O-N 3.5Å; L41-V44 PolarHBondContact O-N 3.36Å; V44-M46 VanDerWaalsContact C-N 3.32Å; V44-M46 PolarHBondContact O-N 2.88Å; V44-E47 PolarHBondContact O-N 2.9Å; V44-V48 VanDerWaalsContact O-CG2 3.31Å; V44-V48 WeakPolarHBondContact O-CG2 3.47Å; V44-V48 PolarHBondContact O-N 2.95Å; V44-A54 HydrophobicContact CG1-CB 3.71Å; V44-C59 HydrophobicContact CG2-CB 3.92Å; V44-L63 HydrophobicContact CB-CD1 4.18Å; V44-L63 HydrophobicContact CG2-CD1 3.96Å
45V96.8Very high94.4Very high72 Ų7280.5 Ų80.544%0.43644%0.442SS..Hα-helixtrans-62-43.7174.7168.20000110.2L41 A42 E47 V48 L49L41-V45 HydrophobicContact CD1-CG2 4.2Å; L41-V45 HydrophobicContact CG-CG2 4.37Å; L41-V45 WeakPolarHBondContact O-CB 3.42Å; L41-V45 WeakPolarHBondContact O-CG2 3.46Å; L41-V45 PolarHBondContact O-N 3.44Å; A42-V45 PolarHBondContact O-N 3.4Å; V45-E47 PolarHBondContact O-N 2.64Å; V45-V48 PolarHBondContact O-N 2.9Å; V45-L49 HydrophobicContact CG1-CD1 3.83Å; V45-L49 HydrophobicContact CG1-CG 4.33Å; V45-L49 WeakPolarHBondContact O-CB 3.31Å; V45-L49 VanDerWaalsContact O-CG 3.27Å; V45-L49 WeakPolarHBondContact O-CG 3.34Å; V45-L49 PolarHBondContact O-N 3Å
46M96.5Very high94.4Very high115 Ų11587.1 Ų87.157%0.56746%0.462SS*.Hα-helixtrans-62.5-42.5176.2-170.6-177.7-5400111.8A42 D43 V44 L49 T50A42-M46 VanDerWaalsContact O-CB 3.29Å; A42-M46 WeakPolarHBondContact O-CB 3.39Å; A42-M46 PolarHBondContact O-N 2.72Å; D43-M46 PolarHBondContact O-N 2.93Å; V44-M46 VanDerWaalsContact C-N 3.32Å; V44-M46 PolarHBondContact O-N 2.88Å; M46-L49 PolarHBondContact O-N 3.28Å; M46-T50 HydrophobicContact CG-CG2 4.22Å; M46-T50 VanDerWaalsContact O-CB 3.32Å; M46-T50 WeakPolarHBondContact O-CB 3.32Å; M46-T50 VanDerWaalsContact O-CG2 3.27Å; M46-T50 WeakPolarHBondContact O-CG2 3.35Å; M46-T50 PolarHBondContact O-N 3.28Å; M46-T50 PolarHBondContact O-OG1 3.45Å
47E95.6Very high94.4Very high50 Ų5084.8 Ų84.823%0.23446%0.458CS..Hα-helixtrans-60.5-44174.4-75.4-178.6174.900112D43 V44 V45 T50 L51 Q55D43-E47 WeakPolarHBondContact O-CG 3.3Å; D43-E47 PolarHBondContact O-N 3Å; V44-E47 PolarHBondContact O-N 2.9Å; V45-E47 PolarHBondContact O-N 2.64Å; E47-T50 PolarHBondContact O-N 3.04Å; E47-T50 PolarHBondContact O-OG1 3.49Å; E47-L51 WeakPolarHBondContact O-CA 3.37Å; E47-L51 VanDerWaalsContact O-CB 3.24Å; E47-L51 WeakPolarHBondContact O-CB 3.36Å; E47-L51 PolarHBondContact O-N 3.31Å; E47-Q55 WeakPolarHBondContact OE2-CB 3.46Å; E47-Q55 PolarHBondContact OE2-N 3.09Å
48V96.8Very high94.3Very high65 Ų6588.6 Ų88.639%0.39449%0.485SS..Hα-helixtrans-63.7-43.5176.9173.50000111V44 V45 T50 G52 A54V44-V48 VanDerWaalsContact O-CG2 3.31Å; V44-V48 WeakPolarHBondContact O-CG2 3.47Å; V44-V48 PolarHBondContact O-N 2.95Å; V45-V48 PolarHBondContact O-N 2.9Å; V48-T50 PolarHBondContact O-N 3.39Å; V48-G52 CarbonylContact O-C 3.54Å; V48-G52 WeakPolarHBondContact O-CA 3.48Å; V48-G52 PolarHBondContact O-N 3.45Å; V48-A54 HydrophobicContact CG2-CB 3.88Å
49L96.5Very high94.3Very high142 Ų14285.3 Ų85.374%0.74347%0.466SS*.Hα-helixtrans-68.5-33.7179.5-69.4173.9000112.7V45 M46V45-L49 HydrophobicContact CG1-CD1 3.83Å; V45-L49 HydrophobicContact CG1-CG 4.33Å; V45-L49 WeakPolarHBondContact O-CB 3.31Å; V45-L49 VanDerWaalsContact O-CG 3.27Å; V45-L49 WeakPolarHBondContact O-CG 3.34Å; V45-L49 PolarHBondContact O-N 3Å; M46-L49 PolarHBondContact O-N 3.28Å
50T95.6Very high94.2Very high99 Ų9981 Ų8161%0.60745%0.454SS*.Hα-helixtrans-91-35.2-176.154.40000113.6M46 E47 V48M46-T50 HydrophobicContact CG-CG2 4.22Å; M46-T50 VanDerWaalsContact O-CB 3.32Å; M46-T50 WeakPolarHBondContact O-CB 3.32Å; M46-T50 VanDerWaalsContact O-CG2 3.27Å; M46-T50 WeakPolarHBondContact O-CG2 3.35Å; M46-T50 PolarHBondContact O-N 3.28Å; M46-T50 PolarHBondContact O-OG1 3.45Å; E47-T50 PolarHBondContact O-N 3.04Å; E47-T50 PolarHBondContact O-OG1 3.49Å; V48-T50 PolarHBondContact O-N 3.39Å
51L95Very high94.1Very high94 Ų9483.3 Ų83.349%0.49247%0.474SS..Hα-helixtrans-113.7-5.2-173.6-55.3174.4000113.2E47 Q53 Q55E47-L51 WeakPolarHBondContact O-CA 3.37Å; E47-L51 VanDerWaalsContact O-CB 3.24Å; E47-L51 WeakPolarHBondContact O-CB 3.36Å; E47-L51 PolarHBondContact O-N 3.31Å; L51-Q53 PolarHBondContact O-N 3.08Å; L51-Q55 HydrophobicContact CD1-CG 4.09Å; L51-Q55 VanDerWaalsContact CD1-NE2 3.28Å
52G94.2Very high93.9Very high65 Ų6581.1 Ų81.167%0.6746%0.463SS*.SBendtrans77.9-2.9-178.100000114.8V48V48-G52 CarbonylContact O-C 3.54Å; V48-G52 WeakPolarHBondContact O-CA 3.48Å; V48-G52 PolarHBondContact O-N 3.45Å
53Q90.1Very high93.6Very high138 Ų13879.9 Ų79.965%0.64545%0.449SS*.SBendtrans-157.2151.2-178.664.4-164.5-3500111.6L51L51-Q53 PolarHBondContact O-N 3.08Å
54A89.7Confident93.3Very high45 Ų4581.2 Ų81.237%0.37245%0.452SS..  trans-74128.3173.100000109.8V44 V48V44-A54 HydrophobicContact CG1-CB 3.71Å; V48-A54 HydrophobicContact CG2-CB 3.88Å
55Q90.8Very high92.8Very high105 Ų10584 Ų8449%0.49146%0.463SS..  trans-74153.1174.9-66.6-168.472.900110.6E47 L51 G57 T60E47-Q55 WeakPolarHBondContact OE2-CB 3.46Å; E47-Q55 PolarHBondContact OE2-N 3.09Å; L51-Q55 HydrophobicContact CD1-CG 4.09Å; L51-Q55 VanDerWaalsContact CD1-NE2 3.28Å; Q55-G57 PolarHBondContact O-N 2.93Å; Q55-T60 WeakPolarHBondContact O-CB 3.43Å; Q55-T60 PolarHBondContact O-OG1 3.44Å
56R90.8Very high92.4Very high260 Ų26083 Ų8398%0.98145%0.454SS*.SBendtrans-78.179.2175.4-161.7170.9-1721422.1109.5
57G91.3Very high91.7Very high25 Ų2581.6 Ų81.626%0.25845%0.448SS..SBendtrans-121.9-179-176.700000114.2Q55 C59 T60 A61Q55-G57 PolarHBondContact O-N 2.93Å; G57-C59 VanDerWaalsContact C-N 3.3Å; G57-C59 PolarHBondContact O-N 2.94Å; G57-T60 PolarHBondContact O-N 3.28Å; G57-A61 WeakPolarHBondContact O-CB 3.43Å; G57-A61 PolarHBondContact O-N 3.01Å
58P91.6Very high90.7Very high116 Ų11683.4 Ų83.475%0.75346%0.455SS*.Hα-helixtrans-58.4-38.7179.7-24.234.3000113.3A61 L62P58-A61 PolarHBondContact O-N 3.21Å; P58-L62 VanDerWaalsContact O-CB 3.26Å; P58-L62 WeakPolarHBondContact O-CB 3.38Å; P58-L62 PolarHBondContact O-N 3.32Å
59C93Very high89.4Confident23 Ų2386.7 Ų86.716%0.15547%0.466CS..Hα-helixtrans-70.1-41.9179.4-77.60000112.8C40 V44 G57 A61 L62 L63C40-C59 WeakPolarHBondContact CA-SG 3.48Å; C40-C59 HydrophobicContact CB-CB 3.34Å; C40-C59 WeakPolarHBondContact CB-SG 3.4Å; C40-C59 WeakPolarHBondContact SG-CA 3.43Å; C40-C59 WeakPolarHBondContact SG-CB 3.5Å; C40-C59 CovalentContact SG-SG 2.06Å; C40-C59 PolarHBondContact SG-SG 3.46Å; V44-C59 HydrophobicContact CG2-CB 3.92Å; G57-C59 VanDerWaalsContact C-N 3.3Å; G57-C59 PolarHBondContact O-N 2.94Å; C59-A61 VanDerWaalsContact C-N 3.33Å; C59-A61 PolarHBondContact O-N 2.99Å; C59-L62 PolarHBondContact O-N 3.06Å; C59-L63 WeakPolarHBondContact O-CB 3.36Å; C59-L63 VanDerWaalsContact O-CG 3.29Å; C59-L63 WeakPolarHBondContact O-CG 3.49Å; C59-L63 PolarHBondContact O-N 3.41Å
60T93.7Very high88Confident42 Ų4284.5 Ų84.526%0.25845%0.448SS..Hα-helixtrans-62.1-40.6172.5-47.60000111.6Q55 G57 H64Q55-T60 WeakPolarHBondContact O-CB 3.43Å; Q55-T60 PolarHBondContact O-OG1 3.44Å; G57-T60 PolarHBondContact O-N 3.28Å; T60-H64 WeakPolarHBondContact O-CB 3.32Å; T60-H64 PolarHBondContact O-N 3.06Å
61A92.3Very high86.2Confident61 Ų6185.1 Ų85.150%0.50444%0.444SS..Hα-helixtrans-66.8-40.417600000112.5G57 P58 C59 H64 K65G57-A61 WeakPolarHBondContact O-CB 3.43Å; G57-A61 PolarHBondContact O-N 3.01Å; P58-A61 PolarHBondContact O-N 3.21Å; C59-A61 VanDerWaalsContact C-N 3.33Å; C59-A61 PolarHBondContact O-N 2.99Å; A61-H64 PolarHBondContact O-N 3.12Å; A61-K65 WeakPolarHBondContact O-CB 3.28Å; A61-K65 PolarHBondContact O-N 3.37Å
62L91.6Very high84.3Confident47 Ų4786 Ų8625%0.24646%0.455CS..Hα-helixtrans-65.7-46.8178.1-171.9160.8000110.9P32 L37 P58 C59 K65 E66P32-L62 HydrophobicContact CB-CD1 4.11Å; P32-L62 HydrophobicContact CB-CD2 3.85Å; P32-L62 HydrophobicContact CB-CG 4.18Å; P32-L62 HydrophobicContact CG-CD2 4.1Å; L37-L62 HydrophobicContact CD2-CD2 3.32Å; L37-L62 HydrophobicContact CG-CD2 4.09Å; P58-L62 VanDerWaalsContact O-CB 3.26Å; P58-L62 WeakPolarHBondContact O-CB 3.38Å; P58-L62 PolarHBondContact O-N 3.32Å; C59-L62 PolarHBondContact O-N 3.06Å; L62-K65 PolarHBondContact O-N 3.47Å; L62-E66 PolarHBondContact O-N 3.05Å
63L90.6Very high82.5Confident26 Ų2691 Ų9114%0.13646%0.461CS..Hα-helixtrans-63.4-42.5175.4-68.7171.4000111.3L37 C40 L41 V44 C59 K65 E66 I67L37-L63 HydrophobicContact CD2-CD2 4.11Å; C40-L63 HydrophobicContact CB-CG 4.47Å; L41-L63 HydrophobicContact CB-CD2 4.46Å; L41-L63 HydrophobicContact CD1-CD1 4.37Å; V44-L63 HydrophobicContact CB-CD1 4.18Å; V44-L63 HydrophobicContact CG2-CD1 3.96Å; C59-L63 WeakPolarHBondContact O-CB 3.36Å; C59-L63 VanDerWaalsContact O-CG 3.29Å; C59-L63 WeakPolarHBondContact O-CG 3.49Å; C59-L63 PolarHBondContact O-N 3.41Å; L63-K65 VanDerWaalsContact C-N 3.32Å; L63-K65 PolarHBondContact O-N 3.31Å; L63-E66 PolarHBondContact O-N 2.93Å; L63-I67 HydrophobicContact CB-CD1 4.31Å; L63-I67 VanDerWaalsContact O-CB 3.32Å; L63-I67 WeakPolarHBondContact O-CB 3.29Å; L63-I67 WeakPolarHBondContact O-CD1 3.46Å; L63-I67 WeakPolarHBondContact O-CG1 3.4Å; L63-I67 PolarHBondContact O-N 3Å
64H89.5Confident80.9Confident97 Ų9785.8 Ų85.845%0.44944%0.444SS..Hα-helixtrans-59.8-43.3176.2-177.9-77.1000111.8T60 A61 F68T60-H64 WeakPolarHBondContact O-CB 3.32Å; T60-H64 PolarHBondContact O-N 3.06Å; A61-H64 PolarHBondContact O-N 3.12Å; H64-F68 HydrophobicContact CB-CD2 4.32Å; H64-F68 AromaticContact CD2-CD2 3.39Å; H64-F68 WeakPolarHBondContact CD2-CD2 3.22Å; H64-F68 AromaticContact CD2-CE2 3.68Å; H64-F68 AromaticContact CG-CD2 3.7Å; H64-F68 AromaticContact NE2-CD2 3.65Å; H64-F68 WeakPolarHBondContact O-CB 3.43Å; H64-F68 WeakPolarHBondContact O-CD2 3.48Å; H64-F68 PolarHBondContact O-N 3.05Å
65K87.6Confident79.1Confident78 Ų7889.7 Ų89.734%0.33947%0.467SS..Iπ-helixtrans-63.7-45176.9-177.1169.3-163.3178.40112.2E29 A61 L62 L63 E69 R70E29-K65 IonicContact OE1-NZ 3.88Å; E29-K65 PolarHBondContact OE1-NZ 3Å; E29-K65 WeakPolarHBondContact OE2-CE 3.49Å; E29-K65 IonicContact OE2-NZ 3.96Å; E29-K65 PolarHBondContact OE2-NZ 3.45Å; A61-K65 WeakPolarHBondContact O-CB 3.28Å; A61-K65 PolarHBondContact O-N 3.37Å; L62-K65 PolarHBondContact O-N 3.47Å; L63-K65 VanDerWaalsContact C-N 3.32Å; L63-K65 PolarHBondContact O-N 3.31Å; K65-E69 HydrophobicContact CG-CB 4.36Å; K65-E69 HydrophobicContact CG-CG 4.5Å; K65-E69 WeakPolarHBondContact CG-OE2 3.27Å; K65-E69 WeakPolarHBondContact O-CA 3.23Å; K65-E69 VanDerWaalsContact O-CB 3.28Å; K65-E69 WeakPolarHBondContact O-CB 3.42Å; K65-E69 PolarHBondContact O-N 3.15Å; K65-E69 VanDerWaalsContact O-N 3.09Å; K65-R70 PolarHBondContact O-N 2.98Å
66E86.9Confident77.1Confident51 Ų5189.1 Ų89.124%0.23847%0.471CS..Iπ-helixtrans-70-35.9-179.1-167.565.7-164.400111.9L37 L62 L63 R70L37-E66 HydrophobicContact CD1-CG 4.24Å; L37-E66 HydrophobicContact CD2-CB 4Å; L37-E66 HydrophobicContact CD2-CG 3.92Å; L62-E66 PolarHBondContact O-N 3.05Å; L63-E66 PolarHBondContact O-N 2.93Å; E66-R70 VanDerWaalsContact CD-CD 3.49Å; E66-R70 WeakPolarHBondContact O-CB 3.48Å; E66-R70 WeakPolarHBondContact OE1-CD 3.36Å; E66-R70 IonicContact OE1-NE 3.27Å; E66-R70 IonicContact OE1-NH1 2.64Å; E66-R70 WeakPolarHBondContact OE2-CD 3.47Å; E66-R70 IonicContact OE2-NH1 3.98Å; E66-R70 PolarHBondContact OE2-NH1 3.31Å; E66-R70 VanDerWaalsContact OE2-NH1 3.09Å
67I81.9Confident75Confident85 Ų8580.3 Ų80.344%0.43645%0.449SS..Iπ-helixtrans-78.5-54.4179.4-62.4164.1000111.1L63 E71L63-I67 HydrophobicContact CB-CD1 4.31Å; L63-I67 VanDerWaalsContact O-CB 3.32Å; L63-I67 WeakPolarHBondContact O-CB 3.29Å; L63-I67 WeakPolarHBondContact O-CD1 3.46Å; L63-I67 WeakPolarHBondContact O-CG1 3.4Å; L63-I67 PolarHBondContact O-N 3Å; I67-E71 WeakPolarHBondContact O-CB 3.4Å
68F75.9Confident73Confident87 Ų8785.1 Ų85.138%0.38247%0.468SS..Iπ-helixtrans-92.1-28.1-168.8-65.4-81.9000114.8H64H64-F68 HydrophobicContact CB-CD2 4.32Å; H64-F68 AromaticContact CD2-CD2 3.39Å; H64-F68 WeakPolarHBondContact CD2-CD2 3.22Å; H64-F68 AromaticContact CD2-CE2 3.68Å; H64-F68 AromaticContact CG-CD2 3.7Å; H64-F68 AromaticContact NE2-CD2 3.65Å; H64-F68 WeakPolarHBondContact O-CB 3.43Å; H64-F68 WeakPolarHBondContact O-CD2 3.48Å; H64-F68 PolarHBondContact O-N 3.05Å
69E69.2Low71Confident135 Ų13587.1 Ų87.163%0.63147%0.467SS*.Iπ-helixtrans-96-21.7-177.2-57.3-177.6-175.800112.5K65K65-E69 HydrophobicContact CG-CB 4.36Å; K65-E69 HydrophobicContact CG-CG 4.5Å; K65-E69 WeakPolarHBondContact CG-OE2 3.27Å; K65-E69 WeakPolarHBondContact O-CA 3.23Å; K65-E69 VanDerWaalsContact O-CB 3.28Å; K65-E69 WeakPolarHBondContact O-CB 3.42Å; K65-E69 PolarHBondContact O-N 3.15Å; K65-E69 VanDerWaalsContact O-N 3.09Å
70R66.4Low69.1Low95 Ų9593 Ų9336%0.35849%0.493SS..THydrogen-bonded Turntrans-105.5-25.6-175.9-155.9-174.9-156.8115.718.3114.4R31 K65 E66 P72R31-R70 VanDerWaalsContact CG-NH1 3.29Å; R31-R70 VanDerWaalsContact CG-NH2 3.31Å; R31-R70 VanDerWaalsContact CZ-CZ 3.48Å; K65-R70 PolarHBondContact O-N 2.98Å; E66-R70 VanDerWaalsContact CD-CD 3.49Å; E66-R70 WeakPolarHBondContact O-CB 3.48Å; E66-R70 WeakPolarHBondContact OE1-CD 3.36Å; E66-R70 IonicContact OE1-NE 3.27Å; E66-R70 IonicContact OE1-NH1 2.64Å; E66-R70 WeakPolarHBondContact OE2-CD 3.47Å; E66-R70 IonicContact OE2-NH1 3.98Å; E66-R70 PolarHBondContact OE2-NH1 3.31Å; E66-R70 VanDerWaalsContact OE2-NH1 3.09Å; R70-P72 VanDerWaalsContact O-CD 3.28Å; R70-P72 WeakPolarHBondContact O-CD 3.44Å
71E58.9Low67.3Low113 Ų11399.2 Ų99.253%0.52852%0.516SS..  trans-79.6114.3174.6-166.5167.6-167.700109.5I67 H73I67-E71 WeakPolarHBondContact O-CB 3.4Å; E71-H73 PolarHBondContact O-N 3.3Å
72P55.3Low65.3Low111 Ų111105.8 Ų105.872%0.72153%0.528SS*.THydrogen-bonded Turntrans-72.1-1.3-172.424.6-27.5000113.7R70R70-P72 VanDerWaalsContact O-CD 3.28Å; R70-P72 WeakPolarHBondContact O-CD 3.44Å
73H56.2Low63.4Low171 Ų171110.5 Ų110.579%0.79255%0.552SS**THydrogen-bonded Turntrans-146.148.3-172.6-60.775.3000112.7E71E71-H73 PolarHBondContact O-N 3.3Å
74G56.4Low61.6Low29 Ų29117.2 Ų117.230%0.29959%0.587SS.*SBendtrans-138102177.600000113.6V76G74-V76 PolarHBondContact O-N 3Å
75C52.2Low59.7Low126 Ų126115.7 Ų115.785%0.85160%0.598SS**SBendtrans41.763.6159.6-79.90000119.7
76V47.3Very low57.5Low94 Ų94114.3 Ų114.357%0.5761%0.606SS**  trans-134121.2147.7-171.60000107.8G74 L78G74-V76 PolarHBondContact O-N 3Å; V76-L78 PolarHBondContact O-N 3.47Å
77S47.3Very low55.7Low75 Ų75119.7 Ų119.752%0.52464%0.637SS.*  trans-61.5130.117684.20000109E79S77-E79 PolarHBondContact O-N 2.75Å
78L49Very low53.7Low125 Ų125125 Ų12565%0.65466%0.657SS**THydrogen-bonded Turntrans-61.6-6.1173-167.479000112.1V76V76-L78 PolarHBondContact O-N 3.47Å
79E49.7Very low52.6Low158 Ų158127.1 Ų127.174%0.73868%0.677SS**THydrogen-bonded Turntrans-74.1-34.4-169.5-157.1123.5-16200112.5S77S77-E79 PolarHBondContact O-N 2.75Å
80E53.8Low51.8Low148 Ų148130.3 Ų130.369%0.69269%0.689SS**G310 helixtrans-80.8-23.8-174.8-149.9175.9165.300113.2
81K54.3Low51Low172 Ų172135 Ų13575%0.74872%0.715SS**G310 helixtrans-81.5-13.1-179.4-73177.6179.7173.60114.1
82R50.3Low50.2Low199 Ų199138.6 Ų138.675%0.75173%0.732SS**G310 helixtrans-88.2-13.5175.3-69.6-162.5-162.2-154.17.3114.2
83L53.3Low50.2Low145 Ų145138.1 Ų138.176%0.75974%0.737SS**SBendtrans-83.1-14-178.4-67.6172.7000113.7
84L52.8Low49.7Very low167 Ų167133.2 Ų133.287%0.87473%0.733SS**SBendtrans-1052-178.8-63176.2000114.1
85G49.7Very low49.3Very low66 Ų66141.2 Ų141.268%0.6876%0.759SS**  trans-111.145.1-178.700000113.5
86G41.6Very low49Very low49 Ų49144.5 Ų144.551%0.50577%0.765SS.*  trans-92.291.7176.800000112.3F88G86-F88 WeakPolarHBondContact O-CD2 3.42Å; G86-F88 PolarHBondContact O-N 3.35Å
87D47.5Very low49.4Very low164 Ų164150.4 Ų150.488%0.87778%0.777SS**  trans-69.693.2163.4-101.7-21.4000109.3T89D87-T89 PolarHBondContact O-N 2.94Å; D87-T89 VanDerWaalsContact O-N 3.15Å
88F41.5Very low49.5Very low197 Ų197150.8 Ų150.886%0.86478%0.779SS**  trans-83.182.5173.8-74.4-83.9000111G86G86-F88 WeakPolarHBondContact O-CD2 3.42Å; G86-F88 PolarHBondContact O-N 3.35Å
89T52.8Low49.7Very low131 Ų131149 Ų14980%0.80478%0.777SS**  trans-133.280.3153.750.90000111.2D87D87-T89 PolarHBondContact O-N 2.94Å; D87-T89 VanDerWaalsContact O-N 3.15Å
90K51.8Low49.8Very low201 Ų201146.9 Ų146.987%0.87477%0.767SS**  trans-154.4102.6147-126.9175.5179.2-175.40110.7E92K90-E92 PolarHBondContact O-N 3.11Å
91Q50.3Low49.5Very low193 Ų193147 Ų14790%0.90277%0.768SS**  trans-60.4108.4161.8177.5-177.87.700108.2
92E42Very low49.4Very low190 Ų190144.4 Ų144.489%0.88876%0.761SS**  trans-111.2109166.5-152.7167.4-150.300108.8K90 G94K90-E92 PolarHBondContact O-N 3.11Å; E92-G94 PolarHBondContact O-N 3.49Å
93A53.5Low49.6Very low100 Ų100142 Ų14283%0.82675%0.752SS**  trans-70.6115.817600000109.3
94G47.6Very low49.6Very low69 Ų69139.2 Ų139.271%0.71174%0.737SS**  trans-177.884.617700000114.5E92E92-G94 PolarHBondContact O-N 3.49Å
95K47.6Very low49.9Very low196 Ų196137.9 Ų137.985%0.85273%0.725SS**  trans65.687.8154.1-153.5161.5-177.4173.70116R97K95-R97 PolarHBondContact O-N 3.08Å
96M45Very low50.2Low195 Ų195141 Ų14196%0.96172%0.721SS**  trans-52.2103.5162.4-74152.272.800110.2
97R55.7Low51Low219 Ų219141.5 Ų141.583%0.82672%0.721SS**  trans-84.5139.9147.8-81.7-176172.9143.4-4.6107.5K95 S99K95-R97 PolarHBondContact O-N 3.08Å; R97-S99 PolarHBondContact O-N 3.26Å
98S49.4Very low51.7Low83 Ų83141 Ų14158%0.5871%0.714SS**  trans-56.6127.7-171176.60000112.3H100 E101S98-H100 PolarHBondContact O-N 3.45Å; S98-E101 PolarHBondContact O-N 2.97Å
99S52.7Low52.5Low87 Ų87135.5 Ų135.561%0.60869%0.691SS**THydrogen-bonded Turntrans-65.35.2-179.6-179.30000114.8R97 R103R97-S99 PolarHBondContact O-N 3.26Å; S99-R103 PolarHBondContact O-NH2 2.69Å; S99-R103 VanDerWaalsContact O-NH2 3.11Å
100H53.5Low53Low114 Ų114131.6 Ų131.653%0.52867%0.672SS.*THydrogen-bonded Turntrans-90.1-38.2177.7-161.515.2000112.4S98 I102 R103 D104S98-H100 PolarHBondContact O-N 3.45Å; H100-I102 PolarHBondContact O-N 3.46Å; H100-R103 PolarHBondContact O-N 3.19Å; H100-D104 IonicContact CE1-OD1 2.79Å; H100-D104 IonicContact CE1-OD2 2.62Å; H100-D104 IonicContact ND1-OD1 3.61Å; H100-D104 IonicContact ND1-OD2 3.86Å; H100-D104 PolarHBondContact O-N 2.98Å
101E46.9Very low53.6Low150 Ų150124.7 Ų124.770%0.70165%0.652SS**Hα-helixtrans-77.2-21.6-171.4-155.7175.1-171.800113.5S98S98-E101 PolarHBondContact O-N 2.97Å
102I52.3Low54.2Low117 Ų117120.1 Ų120.160%0.663%0.63SS**Hα-helixtrans-78.2-34.9175.6-58.7176.9000110.9H100 E106H100-I102 PolarHBondContact O-N 3.46Å; I102-E106 WeakPolarHBondContact O-CB 3.5Å; I102-E106 PolarHBondContact O-N 3.42Å; I102-E106 VanDerWaalsContact O-N 3.09Å
103R53.6Low55.2Low149 Ų149118.3 Ų118.356%0.56262%0.615SS**Hα-helixtrans-74.3-37.3-174.3-164.2-173.5-35.3-172.26.5112.8S99 H100 A107S99-R103 PolarHBondContact O-NH2 2.69Å; S99-R103 VanDerWaalsContact O-NH2 3.11Å; H100-R103 PolarHBondContact O-N 3.19Å; R103-A107 WeakPolarHBondContact O-CB 3.38Å; R103-A107 PolarHBondContact O-N 3.44Å
104D54Low56.1Low86 Ų86118 Ų11846%0.4660%0.603SS.*Hα-helixtrans-73.7-33.3-179.8-62.2-15.7000110.9H100 E108H100-D104 IonicContact CE1-OD1 2.79Å; H100-D104 IonicContact CE1-OD2 2.62Å; H100-D104 IonicContact ND1-OD1 3.61Å; H100-D104 IonicContact ND1-OD2 3.86Å; H100-D104 PolarHBondContact O-N 2.98Å; D104-E108 PolarHBondContact O-N 3.38Å
105K57.8Low57.4Low139 Ų139120.7 Ų120.760%0.60460%0.598SS**Hα-helixtrans-73.3-38.5176.4-150.6170.2-175.4173.20112.5E109K105-E109 WeakPolarHBondContact O-CG 3.48Å; K105-E109 PolarHBondContact O-N 3.04Å
106E57.5Low58.5Low131 Ų131117.5 Ų117.561%0.61258%0.583SS**Hα-helixtrans-67.8-36.7174.6-170.1175.3-177.400112I102 A110I102-E106 WeakPolarHBondContact O-CB 3.5Å; I102-E106 PolarHBondContact O-N 3.42Å; I102-E106 VanDerWaalsContact O-N 3.09Å; E106-A110 VanDerWaalsContact O-CB 3.31Å; E106-A110 WeakPolarHBondContact O-CB 3.25Å; E106-A110 PolarHBondContact O-N 3.37Å
107A58.8Low59.6Low61 Ų61111.3 Ų111.350%0.50456%0.56SS.*Hα-helixtrans-69.1-41.8175.400000112.9R103 A110 A111R103-A107 WeakPolarHBondContact O-CB 3.38Å; R103-A107 PolarHBondContact O-N 3.44Å; A107-A110 PolarHBondContact O-N 2.95Å; A107-A111 PolarHBondContact O-N 2.98Å
108E60.6Low60.7Low153 Ų153107.1 Ų107.172%0.71555%0.549SS*.Hα-helixtrans-64.1-43.2173.4-82.2-157148.200111.9D104 A110 A111 E112D104-E108 PolarHBondContact O-N 3.38Å; E108-A110 VanDerWaalsContact C-N 3.33Å; E108-A110 PolarHBondContact O-N 3.06Å; E108-A111 PolarHBondContact O-N 3.19Å; E108-E112 PolarHBondContact O-N 3.35Å
109E59.2Low62.1Low82 Ų82107.4 Ų107.438%0.38355%0.548SS..Hα-helixtrans-68.6-30.5177.4-70.4-173-169.200112.9K105 R113K105-E109 WeakPolarHBondContact O-CG 3.48Å; K105-E109 PolarHBondContact O-N 3.04Å; E109-R113 VanDerWaalsContact CB-NH1 3.28Å; E109-R113 WeakPolarHBondContact O-CB 3.33Å; E109-R113 VanDerWaalsContact O-CG 3.27Å; E109-R113 WeakPolarHBondContact O-CG 3.44Å; E109-R113 PolarHBondContact O-N 2.89Å; E109-R113 PolarHBondContact O-NH1 2.96Å; E109-R113 IonicContact OE2-CZ 3.5Å; E109-R113 IonicContact OE2-NH1 3.52Å; E109-R113 PolarHBondContact OE2-NH1 3.42Å; E109-R113 IonicContact OE2-NH2 3.94Å; E109-R113 PolarHBondContact OE2-NH2 3.29Å
110A62.4Low63.6Low49 Ų49109.4 Ų109.441%0.40555%0.547SS..Hα-helixtrans-67.3-42.8173.300000111.4E106 A107 E108 R113 T114E106-A110 VanDerWaalsContact O-CB 3.31Å; E106-A110 WeakPolarHBondContact O-CB 3.25Å; E106-A110 PolarHBondContact O-N 3.37Å; A107-A110 PolarHBondContact O-N 2.95Å; E108-A110 VanDerWaalsContact C-N 3.33Å; E108-A110 PolarHBondContact O-N 3.06Å; A110-R113 PolarHBondContact O-N 3.29Å; A110-T114 WeakPolarHBondContact O-CG2 3.43Å; A110-T114 PolarHBondContact O-N 2.94Å; A110-T114 PolarHBondContact O-OG1 3.42Å
111A64.8Low65Low55 Ų55110.5 Ų110.546%0.45555%0.552SS.*Hα-helixtrans-65-37.9176.200000112.4A107 E108 T114 Q115A107-A111 PolarHBondContact O-N 2.98Å; E108-A111 PolarHBondContact O-N 3.19Å; A111-T114 WeakPolarHBondContact CA-OG1 3.34Å; A111-T114 PolarHBondContact O-OG1 2.92Å; A111-Q115 WeakPolarHBondContact O-CB 3.15Å; A111-Q115 PolarHBondContact O-N 3.13Å
112E64Low66.8Low97 Ų97109.6 Ų109.645%0.45355%0.548SS..Hα-helixtrans-68.5-37.5175.6-164.8-173.815700111.8E108 K116E108-E112 PolarHBondContact O-N 3.35Å; E112-K116 WeakPolarHBondContact O-CB 3.28Å; E112-K116 WeakPolarHBondContact O-CG 3.33Å; E112-K116 PolarHBondContact O-N 3.35Å; E112-K116 VanDerWaalsContact OE1-CE 3.23Å; E112-K116 WeakPolarHBondContact OE1-CE 3.38Å; E112-K116 IonicContact OE1-NZ 2.64Å; E112-K116 PolarHBondContact OE1-NZ 2.96Å
113R62.3Low68.5Low152 Ų152106.7 Ų106.757%0.57454%0.542SS*.Hα-helixtrans-66.8-41.7174.9-75.4-179.2-169.497.76.2112.1E109 A110 K116 S117E109-R113 VanDerWaalsContact CB-NH1 3.28Å; E109-R113 WeakPolarHBondContact O-CB 3.33Å; E109-R113 VanDerWaalsContact O-CG 3.27Å; E109-R113 WeakPolarHBondContact O-CG 3.44Å; E109-R113 PolarHBondContact O-N 2.89Å; E109-R113 PolarHBondContact O-NH1 2.96Å; E109-R113 IonicContact OE2-CZ 3.5Å; E109-R113 IonicContact OE2-NH1 3.52Å; E109-R113 PolarHBondContact OE2-NH1 3.42Å; E109-R113 IonicContact OE2-NH2 3.94Å; E109-R113 PolarHBondContact OE2-NH2 3.29Å; A110-R113 PolarHBondContact O-N 3.29Å; R113-K116 PolarHBondContact O-N 3.33Å; R113-S117 WeakPolarHBondContact O-CB 3.43Å; R113-S117 PolarHBondContact O-N 2.87Å
114T71.4Confident70.2Confident93 Ų93103.6 Ų103.657%0.57154%0.536SS*.Hα-helixtrans-65.8-41.317650.70000111.7A110 A111 K116 S117 E118A110-T114 WeakPolarHBondContact O-CG2 3.43Å; A110-T114 PolarHBondContact O-N 2.94Å; A110-T114 PolarHBondContact O-OG1 3.42Å; A111-T114 WeakPolarHBondContact CA-OG1 3.34Å; A111-T114 PolarHBondContact O-OG1 2.92Å; T114-K116 PolarHBondContact O-N 3.07Å; T114-S117 PolarHBondContact O-N 3.41Å; T114-E118 WeakPolarHBondContact O-CB 3.35Å; T114-E118 PolarHBondContact O-N 3.37Å
115Q76.6Confident72Confident127 Ų127105.5 Ų105.559%0.59354%0.542SS*.Hα-helixtrans-63.7-40.8177.2-172.9-177.716.600111.9A111 V119A111-Q115 WeakPolarHBondContact O-CB 3.15Å; A111-Q115 PolarHBondContact O-N 3.13Å; Q115-V119 VanDerWaalsContact O-CG2 3.25Å; Q115-V119 WeakPolarHBondContact O-CG2 3.42Å; Q115-V119 PolarHBondContact O-N 2.89Å; Q115-V119 VanDerWaalsContact O-N 3.09Å
116K70.7Confident73.4Confident128 Ų128103.1 Ų103.156%0.55754%0.539SS*.Hα-helixtrans-66.3-39.4175.9-75.7175.4-176.8168.70112.3E112 R113 T114 Q120E112-K116 WeakPolarHBondContact O-CB 3.28Å; E112-K116 WeakPolarHBondContact O-CG 3.33Å; E112-K116 PolarHBondContact O-N 3.35Å; E112-K116 VanDerWaalsContact OE1-CE 3.23Å; E112-K116 WeakPolarHBondContact OE1-CE 3.38Å; E112-K116 IonicContact OE1-NZ 2.64Å; E112-K116 PolarHBondContact OE1-NZ 2.96Å; R113-K116 PolarHBondContact O-N 3.33Å; T114-K116 PolarHBondContact O-N 3.07Å; K116-Q120 WeakPolarHBondContact O-CB 3.49Å; K116-Q120 PolarHBondContact O-N 3.06Å; K116-Q120 VanDerWaalsContact O-N 3.08Å
117S67.8Low75Confident66 Ų66103 Ų10346%0.46254%0.538SS..Hα-helixtrans-64.7-43.4176.5-169.50000111.9R113 T114 Q120 E121R113-S117 WeakPolarHBondContact O-CB 3.43Å; R113-S117 PolarHBondContact O-N 2.87Å; T114-S117 PolarHBondContact O-N 3.41Å; S117-Q120 PolarHBondContact O-N 3.36Å; S117-E121 WeakPolarHBondContact O-CB 3.1Å; S117-E121 PolarHBondContact O-N 3.03Å
118E79.1Confident76.5Confident131 Ų131105 Ų10561%0.61254%0.54SS*.Hα-helixtrans-64.9-42.4179-174.6177.7170.900111.8T114 Q120 E121 Q122T114-E118 WeakPolarHBondContact O-CB 3.35Å; T114-E118 PolarHBondContact O-N 3.37Å; E118-Q120 VanDerWaalsContact C-N 3.32Å; E118-Q120 PolarHBondContact O-N 3.4Å; E118-E121 PolarHBondContact O-N 3.43Å; E118-Q122 WeakPolarHBondContact O-CB 3.3Å; E118-Q122 PolarHBondContact O-N 3.35Å
119V78.7Confident77.8Confident89 Ų89102.5 Ų102.554%0.53953%0.528SS..Hα-helixtrans-65-37.6176.2172.40000111.4Q115 A123Q115-V119 VanDerWaalsContact O-CG2 3.25Å; Q115-V119 WeakPolarHBondContact O-CG2 3.42Å; Q115-V119 PolarHBondContact O-N 2.89Å; Q115-V119 VanDerWaalsContact O-N 3.09Å; V119-A123 WeakPolarHBondContact O-CB 3.39Å; V119-A123 PolarHBondContact O-N 2.93Å
120Q83.6Confident79Confident128 Ų128101.9 Ų101.960%0.59853%0.533SS*.Hα-helixtrans-67.9-43.3176.7-174.7176.721.100111.7K116 S117 E118 Q122 A123 I124K116-Q120 WeakPolarHBondContact O-CB 3.49Å; K116-Q120 PolarHBondContact O-N 3.06Å; K116-Q120 VanDerWaalsContact O-N 3.08Å; S117-Q120 PolarHBondContact O-N 3.36Å; E118-Q120 VanDerWaalsContact C-N 3.32Å; E118-Q120 PolarHBondContact O-N 3.4Å; Q120-Q122 VanDerWaalsContact C-N 3.33Å; Q120-Q122 PolarHBondContact O-N 2.94Å; Q120-A123 PolarHBondContact O-N 3.39Å; Q120-I124 HydrophobicContact CG-CD1 4.09Å; Q120-I124 VanDerWaalsContact O-CG1 3.3Å; Q120-I124 WeakPolarHBondContact O-CG1 3.32Å; Q120-I124 PolarHBondContact O-N 3.44Å
121E81.9Confident80.2Confident137 Ų137105 Ų10564%0.6454%0.539SS*.Hα-helixtrans-62.2-42.5176.9-171.8178158.300111.4S117 E118 A123 I124 H125S117-E121 WeakPolarHBondContact O-CB 3.1Å; S117-E121 PolarHBondContact O-N 3.03Å; E118-E121 PolarHBondContact O-N 3.43Å; E121-A123 VanDerWaalsContact C-N 3.33Å; E121-A123 PolarHBondContact O-N 3.38Å; E121-I124 PolarHBondContact O-N 3.2Å; E121-H125 WeakPolarHBondContact O-CB 3.39Å; E121-H125 PolarHBondContact O-N 3.43Å
122Q85.8Confident81.2Confident131 Ų131107.5 Ų107.561%0.61254%0.544SS*.Hα-helixtrans-67-35177.8-157170.833.700112.3E118 Q120 T126E118-Q122 WeakPolarHBondContact O-CB 3.3Å; E118-Q122 PolarHBondContact O-N 3.35Å; Q120-Q122 VanDerWaalsContact C-N 3.33Å; Q120-Q122 PolarHBondContact O-N 2.94Å; Q122-T126 WeakPolarHBondContact O-CB 3.35Å; Q122-T126 PolarHBondContact O-N 3.17Å; Q122-T126 PolarHBondContact O-OG1 3.18Å
123A87.2Confident81.9Confident57 Ų57109.4 Ų109.447%0.47155%0.547SS..Hα-helixtrans-65.8-43.6173.500000111.9V119 Q120 E121 T126 Q127V119-A123 WeakPolarHBondContact O-CB 3.39Å; V119-A123 PolarHBondContact O-N 2.93Å; Q120-A123 PolarHBondContact O-N 3.39Å; E121-A123 VanDerWaalsContact C-N 3.33Å; E121-A123 PolarHBondContact O-N 3.38Å; A123-T126 PolarHBondContact O-N 3.29Å; A123-Q127 WeakPolarHBondContact O-CB 3.42Å; A123-Q127 PolarHBondContact O-N 3.13Å
124I91.1Very high82.5Confident83 Ų83107.6 Ų107.643%0.42655%0.545SS..Hα-helixtrans-63.6-46.8176.8-67.3164.4000110.4Q120 E121 T126 Q127 L128Q120-I124 HydrophobicContact CG-CD1 4.09Å; Q120-I124 VanDerWaalsContact O-CG1 3.3Å; Q120-I124 WeakPolarHBondContact O-CG1 3.32Å; Q120-I124 PolarHBondContact O-N 3.44Å; E121-I124 PolarHBondContact O-N 3.2Å; I124-T126 VanDerWaalsContact C-N 3.29Å; I124-T126 PolarHBondContact O-N 3.28Å; I124-Q127 PolarHBondContact O-N 3.45Å; I124-L128 HydrophobicContact CG2-CD1 3.93Å; I124-L128 HydrophobicContact CG2-CG 4.34Å; I124-L128 WeakPolarHBondContact O-CG 3.17Å; I124-L128 PolarHBondContact O-N 3.34Å
125H90Very high82.6Confident127 Ų127108.6 Ų108.659%0.58854%0.543SS*.Hα-helixtrans-60-40.8178.9-174.5-80.7000112E121 H129E121-H125 WeakPolarHBondContact O-CB 3.39Å; E121-H125 PolarHBondContact O-N 3.43Å; H125-H129 WeakPolarHBondContact O-CB 3.39Å; H125-H129 PolarHBondContact O-N 3Å
126T88.6Confident82.4Confident88 Ų88107.8 Ų107.854%0.5454%0.54SS..Hα-helixtrans-67.9-40.6177.2-53.30000111.6Q122 A123 I124 H129 S130Q122-T126 WeakPolarHBondContact O-CB 3.35Å; Q122-T126 PolarHBondContact O-N 3.17Å; Q122-T126 PolarHBondContact O-OG1 3.18Å; A123-T126 PolarHBondContact O-N 3.29Å; I124-T126 VanDerWaalsContact C-N 3.29Å; I124-T126 PolarHBondContact O-N 3.28Å; T126-H129 PolarHBondContact O-N 3.44Å; T126-S130 PolarHBondContact O-N 2.86Å; T126-S130 PolarHBondContact O-OG 3.24Å
127Q90.3Very high82.4Confident128 Ų128107.6 Ų107.660%0.59854%0.541SS*.Hα-helixtrans-63.2-46.2177.3-176.2178-1.600111.7A123 I124 H129 S130 Q131A123-Q127 WeakPolarHBondContact O-CB 3.42Å; A123-Q127 PolarHBondContact O-N 3.13Å; I124-Q127 PolarHBondContact O-N 3.45Å; Q127-H129 VanDerWaalsContact C-N 3.32Å; Q127-H129 PolarHBondContact O-N 3.2Å; Q127-S130 PolarHBondContact O-N 3.07Å; Q127-S130 PolarHBondContact O-OG 3.03Å; Q127-Q131 PolarHBondContact O-N 3.34Å
128L90.9Very high82.4Confident103 Ų103110 Ų11054%0.53955%0.545SS..Hα-helixtrans-61.7-41.6176.9-68.9173.4000111.5I124 S130 Q131 L132I124-L128 HydrophobicContact CG2-CD1 3.93Å; I124-L128 HydrophobicContact CG2-CG 4.34Å; I124-L128 WeakPolarHBondContact O-CG 3.17Å; I124-L128 PolarHBondContact O-N 3.34Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-S130 PolarHBondContact O-N 2.93Å; L128-Q131 PolarHBondContact O-N 2.9Å; L128-L132 PolarHBondContact O-N 3.34Å
129H86.9Confident81.7Confident102 Ų102110 Ų11047%0.47255%0.545SS..Hα-helixtrans-66.9-32.1177.4-163.3-56.2000112.7H125 T126 Q127 R133H125-H129 WeakPolarHBondContact O-CB 3.39Å; H125-H129 PolarHBondContact O-N 3Å; T126-H129 PolarHBondContact O-N 3.44Å; Q127-H129 VanDerWaalsContact C-N 3.32Å; Q127-H129 PolarHBondContact O-N 3.2Å; H129-R133 WeakPolarHBondContact O-CB 3.32Å; H129-R133 WeakPolarHBondContact O-CG 3.2Å; H129-R133 PolarHBondContact O-N 2.99Å
130S84.4Confident81Confident69 Ų69111 Ų11148%0.48354%0.543SS..Hα-helixtrans-72-36.3173.765.40000112.6T126 Q127 L128 R133 Q134T126-S130 PolarHBondContact O-N 2.86Å; T126-S130 PolarHBondContact O-OG 3.24Å; Q127-S130 PolarHBondContact O-N 3.07Å; Q127-S130 PolarHBondContact O-OG 3.03Å; L128-S130 VanDerWaalsContact C-N 3.31Å; L128-S130 PolarHBondContact O-N 2.93Å; S130-R133 PolarHBondContact O-N 3.29Å; S130-Q134 PolarHBondContact O-N 3.06Å; S130-Q134 VanDerWaalsContact O-N 3.11Å
131Q87.4Confident79.9Confident113 Ų113111.9 Ų111.953%0.52855%0.547SS..Hα-helixtrans-68.7-45178.9-172.3170.721.200111.3Q127 L128 R133 Q134 E135Q127-Q131 PolarHBondContact O-N 3.34Å; L128-Q131 PolarHBondContact O-N 2.9Å; Q131-R133 VanDerWaalsContact C-N 3.27Å; Q131-R133 PolarHBondContact O-N 3.49Å; Q131-Q134 WeakPolarHBondContact O-CB 3.43Å; Q131-Q134 PolarHBondContact O-N 3.1Å; Q131-Q134 VanDerWaalsContact O-N 3.08Å; Q131-E135 PolarHBondContact O-N 3.28Å
132L85.9Confident78.9Confident108 Ų108111 Ų11157%0.56554%0.544SS*.Hα-helixtrans-59.8-39.2176.2-175.366.1000112.1L128 Q134 E135 E136L128-L132 PolarHBondContact O-N 3.34Å; L132-Q134 VanDerWaalsContact C-N 3.31Å; L132-Q134 PolarHBondContact O-N 3.43Å; L132-E135 PolarHBondContact O-N 2.93Å; L132-E136 WeakPolarHBondContact O-CB 3.45Å; L132-E136 PolarHBondContact O-N 3.42Å
133R80Confident77.5Confident137 Ų137112.5 Ų112.552%0.51755%0.55SS.*Hα-helixtrans-66.5-33.5175.9-84.7-86.7-78.5-86.8-7.4113H129 S130 Q131 E137H129-R133 WeakPolarHBondContact O-CB 3.32Å; H129-R133 WeakPolarHBondContact O-CG 3.2Å; H129-R133 PolarHBondContact O-N 2.99Å; S130-R133 PolarHBondContact O-N 3.29Å; Q131-R133 VanDerWaalsContact C-N 3.27Å; Q131-R133 PolarHBondContact O-N 3.49Å; R133-E137 WeakPolarHBondContact O-CG 3.32Å; R133-E137 PolarHBondContact O-N 3.14Å
134Q74.6Confident76.2Confident115 Ų115116.8 Ų116.854%0.53756%0.558SS.*Hα-helixtrans-74.2-38.3177.7-169.2174.30.100111.3S130 Q131 L132 E137 E138S130-Q134 PolarHBondContact O-N 3.06Å; S130-Q134 VanDerWaalsContact O-N 3.11Å; Q131-Q134 WeakPolarHBondContact O-CB 3.43Å; Q131-Q134 PolarHBondContact O-N 3.1Å; Q131-Q134 VanDerWaalsContact O-N 3.08Å; L132-Q134 VanDerWaalsContact C-N 3.31Å; L132-Q134 PolarHBondContact O-N 3.43Å; Q134-E137 PolarHBondContact O-N 3.02Å; Q134-E138 WeakPolarHBondContact O-CB 3.4Å; Q134-E138 WeakPolarHBondContact O-CG 3.4Å; Q134-E138 PolarHBondContact O-N 3.13Å
135E74.3Confident74.6Confident113 Ų113116.5 Ų116.553%0.52856%0.563SS.*Hα-helixtrans-64.8-42.6175.3-164.8170.1-165.500111.4Q131 L132 E137 E138 E139Q131-E135 PolarHBondContact O-N 3.28Å; L132-E135 PolarHBondContact O-N 2.93Å; E135-E137 VanDerWaalsContact C-N 3.35Å; E135-E137 PolarHBondContact O-N 3.09Å; E135-E138 PolarHBondContact O-N 2.83Å; E135-E139 PolarHBondContact O-N 3.35Å
136E72.1Confident72.5Confident111 Ų111116.5 Ų116.552%0.51956%0.563SS.*Hα-helixtrans-63.6-37.2174.4-169.3179.7-171.900112.4L132 E140L132-E136 WeakPolarHBondContact O-CB 3.45Å; L132-E136 PolarHBondContact O-N 3.42Å; E136-E140 WeakPolarHBondContact O-CB 3.42Å; E136-E140 PolarHBondContact O-N 2.88Å; E136-E140 VanDerWaalsContact O-N 3.17Å
137E69.8Low70.6Confident124 Ų124117 Ų11758%0.57957%0.568SS**Hα-helixtrans-71.3-35175.3-77.3177.3-169.100112.5R133 Q134 E135 E141R133-E137 WeakPolarHBondContact O-CG 3.32Å; R133-E137 PolarHBondContact O-N 3.14Å; Q134-E137 PolarHBondContact O-N 3.02Å; E135-E137 VanDerWaalsContact C-N 3.35Å; E135-E137 PolarHBondContact O-N 3.09Å; E137-E141 PolarHBondContact O-N 3.47Å; E137-E141 VanDerWaalsContact O-N 3.13Å
138E69Low68.9Low117 Ų117114 Ų11455%0.54757%0.572SS.*Hα-helixtrans-70.6-42.5175.7-77.6178.2-173.300111.8Q134 E135 E140 E141 E142Q134-E138 WeakPolarHBondContact O-CB 3.4Å; Q134-E138 WeakPolarHBondContact O-CG 3.4Å; Q134-E138 PolarHBondContact O-N 3.13Å; E135-E138 PolarHBondContact O-N 2.83Å; E138-E140 VanDerWaalsContact C-N 3.32Å; E138-E140 PolarHBondContact O-N 2.99Å; E138-E141 PolarHBondContact O-N 3.48Å; E138-E142 WeakPolarHBondContact O-CB 3.33Å; E138-E142 PolarHBondContact O-N 2.9Å
139E64.3Low67.1Low131 Ų131117.6 Ų117.661%0.61258%0.583SS**Hα-helixtrans-59.6-42.3173-78.5-170.4159.200111.5E135 E141 E142 E143E135-E139 PolarHBondContact O-N 3.35Å; E139-E141 VanDerWaalsContact C-N 3.34Å; E139-E141 PolarHBondContact O-N 3.24Å; E139-E142 PolarHBondContact O-N 3.47Å; E139-E143 WeakPolarHBondContact O-CB 3.35Å; E139-E143 PolarHBondContact O-N 3.04Å
140E63.1Low65.7Low108 Ų108116.8 Ų116.851%0.50559%0.586SS.*Hα-helixtrans-66.8-29.6176.9-95.7-152.4-159.200114E136 E138 K144E136-E140 WeakPolarHBondContact O-CB 3.42Å; E136-E140 PolarHBondContact O-N 2.88Å; E136-E140 VanDerWaalsContact O-N 3.17Å; E138-E140 VanDerWaalsContact C-N 3.32Å; E138-E140 PolarHBondContact O-N 2.99Å; E140-K144 VanDerWaalsContact O-CD 3.23Å; E140-K144 WeakPolarHBondContact O-CD 3.29Å; E140-K144 WeakPolarHBondContact O-CE 3.22Å; E140-K144 VanDerWaalsContact O-CG 3.27Å; E140-K144 WeakPolarHBondContact O-CG 3.31Å; E140-K144 PolarHBondContact O-NZ 2.8Å; E140-K144 IonicContact OE2-NZ 3.98Å; E140-K144 PolarHBondContact OE2-NZ 3.49Å
141E61.5Low64.5Low147 Ų147119 Ų11969%0.68759%0.591SS**Hα-helixtrans-78.5-37.3173.4-83.7-158.2153.900111.7E137 E138 E139 K144 S145E137-E141 PolarHBondContact O-N 3.47Å; E137-E141 VanDerWaalsContact O-N 3.13Å; E138-E141 PolarHBondContact O-N 3.48Å; E139-E141 VanDerWaalsContact C-N 3.34Å; E139-E141 PolarHBondContact O-N 3.24Å; E141-K144 PolarHBondContact O-N 2.76Å; E141-S145 WeakPolarHBondContact O-CB 3.44Å; E141-S145 PolarHBondContact O-N 3.45Å
142E59.1Low63.2Low120 Ų120121 Ų12156%0.56160%0.601SS**Hα-helixtrans-64.6-43.4179.1-163.7164.4-157.500111.1E138 E139 K144 S145 H146E138-E142 WeakPolarHBondContact O-CB 3.33Å; E138-E142 PolarHBondContact O-N 2.9Å; E139-E142 PolarHBondContact O-N 3.47Å; E142-K144 VanDerWaalsContact C-N 3.26Å; E142-K144 PolarHBondContact O-N 2.79Å; E142-S145 PolarHBondContact O-N 2.98Å; E142-S145 VanDerWaalsContact O-N 3.07Å; E142-S145 PolarHBondContact O-OG 3.34Å; E142-H146 PolarHBondContact O-N 3.06Å
143E57.6Low61.8Low162 Ų162122.6 Ų122.676%0.75761%0.605SS**Hα-helixtrans-62.6-31.6176.1-146.6-173-172.800112.5E139E139-E143 WeakPolarHBondContact O-CB 3.35Å; E139-E143 PolarHBondContact O-N 3.04Å
144K58.5Low60.9Low147 Ų147121.3 Ų121.364%0.63961%0.606SS**Hα-helixtrans-82.4-23176-69.3168.9-165.51350113E140 E141 E142E140-K144 VanDerWaalsContact O-CD 3.23Å; E140-K144 WeakPolarHBondContact O-CD 3.29Å; E140-K144 WeakPolarHBondContact O-CE 3.22Å; E140-K144 VanDerWaalsContact O-CG 3.27Å; E140-K144 WeakPolarHBondContact O-CG 3.31Å; E140-K144 PolarHBondContact O-NZ 2.8Å; E140-K144 IonicContact OE2-NZ 3.98Å; E140-K144 PolarHBondContact OE2-NZ 3.49Å; E141-K144 PolarHBondContact O-N 2.76Å; E142-K144 VanDerWaalsContact C-N 3.26Å; E142-K144 PolarHBondContact O-N 2.79Å
145S59Low60.2Low76 Ų76123.9 Ų123.953%0.53161%0.611SS.*Hα-helixtrans-86.1-21-17779.50000113.6E141 E142 P147E141-S145 WeakPolarHBondContact O-CB 3.44Å; E141-S145 PolarHBondContact O-N 3.45Å; E142-S145 PolarHBondContact O-N 2.98Å; E142-S145 VanDerWaalsContact O-N 3.07Å; E142-S145 PolarHBondContact O-OG 3.34Å; S145-P147 WeakPolarHBondContact O-CD 3.38Å
146H45.6Very low59.7Low127 Ų127120.9 Ų120.959%0.58861%0.605SS**SBendtrans-71.8120.9175.8-84.322.4000111.1E142 G148E142-H146 PolarHBondContact O-N 3.06Å; H146-G148 VanDerWaalsContact C-N 3.25Å; H146-G148 PolarHBondContact O-N 3.33Å
147P49.2Very low59.4Low99 Ų99121.6 Ų121.664%0.64361%0.609SS**  trans-74.382.2175.90.115.5000109.4S145 K149 T150S145-P147 WeakPolarHBondContact O-CD 3.38Å; P147-K149 PolarHBondContact O-N 3.35Å; P147-T150 PolarHBondContact O-N 3.07Å; P147-T150 PolarHBondContact O-OG1 3.29Å
148G54.5Low58.9Low66 Ų66122 Ų12268%0.6861%0.611SS**THydrogen-bonded Turntrans-63.317.1172.300000114.9H146H146-G148 VanDerWaalsContact C-N 3.25Å; H146-G148 PolarHBondContact O-N 3.33Å
149K52.1Low58.6Low178 Ų178121.8 Ų121.877%0.77461%0.612SS**THydrogen-bonded Turntrans-110.3-8.4-178-58176.1-174.8172.60112.7P147P147-K149 PolarHBondContact O-N 3.35Å
150T57.4Low58.2Low84 Ų84122.7 Ų122.752%0.51562%0.617SS.*Hα-helixtrans-85.8-33-174-20.40000112.1P147 M154P147-T150 PolarHBondContact O-N 3.07Å; P147-T150 PolarHBondContact O-OG1 3.29Å; T150-M154 PolarHBondContact O-N 3.04Å
151L59.1Low57.7Low115 Ų115121.8 Ų121.860%0.60262%0.622SS**Hα-helixtrans-71.3-47.8179.9-129.895.1000111.7H153 M154 W155L151-H153 PolarHBondContact O-N 2.86Å; L151-M154 HydrophobicContact CD1-CE 4.3Å; L151-M154 HydrophobicContact CG-CE 4.45Å; L151-M154 PolarHBondContact O-N 2.95Å; L151-M154 VanDerWaalsContact O-N 3.1Å; L151-W155 PolarHBondContact O-N 3.42Å
152E61.5Low57.4Low155 Ų155118.7 Ų118.772%0.72462%0.622SS**Hα-helixtrans-61-33.1-178.2-159.1169.8-165.700112.2A156E152-A156 PolarHBondContact O-N 3.19Å; E152-A156 VanDerWaalsContact O-N 3.16Å
153H56.5Low56.9Low142 Ų142121.7 Ų121.766%0.65763%0.628SS**Hα-helixtrans-74.3-28.7178.7-139.4-65.6000113.4L151 Q157L151-H153 PolarHBondContact O-N 2.86Å; H153-Q157 PolarHBondContact O-N 3.41Å
154M59.7Low56.4Low111 Ų111115.6 Ų115.655%0.54761%0.609SS.*Hα-helixtrans-74.7-39174.4-73.6-172.3-65.400111.8T150 L151 Q157 H158T150-M154 PolarHBondContact O-N 3.04Å; L151-M154 HydrophobicContact CD1-CE 4.3Å; L151-M154 HydrophobicContact CG-CE 4.45Å; L151-M154 PolarHBondContact O-N 2.95Å; L151-M154 VanDerWaalsContact O-N 3.1Å; M154-Q157 PolarHBondContact O-N 2.98Å; M154-H158 PolarHBondContact O-N 2.78Å
155W60.3Low56.3Low169 Ų169115.2 Ų115.264%0.6462%0.621SS**Hα-helixtrans-64.6-40.7175.2-77.8100.2000112.3L151 Q157 H158 L159L151-W155 PolarHBondContact O-N 3.42Å; W155-Q157 PolarHBondContact O-N 2.88Å; W155-H158 PolarHBondContact O-N 3.26Å; W155-L159 PolarHBondContact O-N 3.22Å; W155-L159 VanDerWaalsContact O-N 3.12Å
156A64.6Low55.8Low49 Ų49120.2 Ų120.241%0.40564%0.636SS.*Hα-helixtrans-61.6-42.517400000112.1E152 H158 L159 E160E152-A156 PolarHBondContact O-N 3.19Å; E152-A156 VanDerWaalsContact O-N 3.16Å; A156-H158 PolarHBondContact O-N 3.32Å; A156-L159 PolarHBondContact O-N 3.29Å; A156-E160 WeakPolarHBondContact O-CB 3.43Å; A156-E160 PolarHBondContact O-N 3.09Å
157Q64.8Low56.1Low126 Ų126122.3 Ų122.359%0.58964%0.644SS**Hα-helixtrans-67-34.2178.6-173.6174.9-10.600112.9H153 M154 W155 S161H153-Q157 PolarHBondContact O-N 3.41Å; M154-Q157 PolarHBondContact O-N 2.98Å; W155-Q157 PolarHBondContact O-N 2.88Å; Q157-S161 VanDerWaalsContact O-CB 3.32Å; Q157-S161 WeakPolarHBondContact O-CB 3.46Å; Q157-S161 PolarHBondContact O-N 2.73Å; Q157-S161 PolarHBondContact O-OG 2.76Å
158H59.9Low56Low134 Ų134129 Ų12962%0.6266%0.656SS**Hα-helixtrans-67.4-44174.6-175.5-76.3000111.9M154 W155 A156 E160 S161 A162M154-H158 PolarHBondContact O-N 2.78Å; W155-H158 PolarHBondContact O-N 3.26Å; A156-H158 PolarHBondContact O-N 3.32Å; H158-E160 VanDerWaalsContact C-N 3.29Å; H158-E160 PolarHBondContact O-N 3.16Å; H158-S161 PolarHBondContact O-N 3.2Å; H158-A162 PolarHBondContact O-N 3.1Å
159L62.1Low55.7Low111 Ų111131.7 Ų131.758%0.58166%0.659SS**Hα-helixtrans-63.9-32.2176.1-88.7152.6000113.2W155 A156W155-L159 PolarHBondContact O-N 3.22Å; W155-L159 VanDerWaalsContact O-N 3.12Å; A156-L159 PolarHBondContact O-N 3.29Å
160E55.7Low55.5Low150 Ų150128.1 Ų128.170%0.70166%0.663SS**Hα-helixtrans-80.3-32.4177.9-148.8137.5-138.700111.9A156 H158 R163A156-E160 WeakPolarHBondContact O-CB 3.43Å; A156-E160 PolarHBondContact O-N 3.09Å; H158-E160 VanDerWaalsContact C-N 3.29Å; H158-E160 PolarHBondContact O-N 3.16Å; E160-R163 PolarHBondContact O-N 3.04Å
161S54.2Low55.1Low90 Ų90133 Ų13363%0.62968%0.679SS**Hα-helixtrans-74.7-27.6174.9-58.40000113.4Q157 H158 R163Q157-S161 VanDerWaalsContact O-CB 3.32Å; Q157-S161 WeakPolarHBondContact O-CB 3.46Å; Q157-S161 PolarHBondContact O-N 2.73Å; Q157-S161 PolarHBondContact O-OG 2.76Å; H158-S161 PolarHBondContact O-N 3.2Å; S161-R163 PolarHBondContact O-N 3.35Å
162A53.6Low54.6Low82 Ų82137.1 Ų137.168%0.67869%0.693SS**THydrogen-bonded Turntrans-71.9-11171.200000113.2H158 G164H158-A162 PolarHBondContact O-N 3.1Å; A162-G164 VanDerWaalsContact C-N 3.29Å; A162-G164 PolarHBondContact O-N 2.99Å
163R49.9Very low54.1Low182 Ų182134.5 Ų134.569%0.68770%0.698SS**SBendtrans-96.243.7178.2-145.6-177.1-67.5-124.13.3111.6E160 S161E160-R163 PolarHBondContact O-N 3.04Å; S161-R163 PolarHBondContact O-N 3.35Å
164G47.1Very low53.7Low34 Ų34133.7 Ų133.735%0.35171%0.708SS.*  trans-61.8170.8175.400000113.9A162 Q166A162-G164 VanDerWaalsContact C-N 3.29Å; A162-G164 PolarHBondContact O-N 2.99Å; G164-Q166 PolarHBondContact O-N 3.49Å
165P54.6Low53.3Low139 Ų139135.6 Ų135.690%0.90372%0.72SS**THydrogen-bonded Turntrans-59.3-2.8-166.5-22.832.4000117K167P165-K167 VanDerWaalsContact C-N 3.35Å; P165-K167 PolarHBondContact O-N 3.31Å
166Q49.5Very low52.9Low182 Ų182136.8 Ų136.885%0.8573%0.733SS**THydrogen-bonded Turntrans-82.4-9.2-170.9-149.8172.516.600113.9G164 R168G164-Q166 PolarHBondContact O-N 3.49Å; Q166-R168 VanDerWaalsContact C-N 3.35Å; Q166-R168 PolarHBondContact O-N 3.48Å
167K52Low52.2Low171 Ų171143.5 Ų143.574%0.74376%0.756SS**THydrogen-bonded Turntrans-94.441179.4-153.9176.3-177.2175.70113.9P165P165-K167 VanDerWaalsContact C-N 3.35Å; P165-K167 PolarHBondContact O-N 3.31Å
168R47.2Very low51.5Low239 Ų239143.9 Ų143.990%0.90277%0.767SS**THydrogen-bonded Turntrans-129.316.4167.7-73.8-160.1-174.5-119.24.8114.3Q166Q166-R168 VanDerWaalsContact C-N 3.35Å; Q166-R168 PolarHBondContact O-N 3.48Å
169V48.2Very low51.2Low123 Ų123142.6 Ų142.675%0.74578%0.78SS**SBendtrans-121.5-13.1179.1-168.70000113.2E171V169-E171 VanDerWaalsContact C-N 3.35Å; V169-E171 PolarHBondContact O-N 2.79Å
170A46.8Very low50.5Low102 Ų102145.6 Ų145.684%0.84379%0.791SS**THydrogen-bonded Turntrans-93.431.8-178.900000114.4
171E49.1Very low50.2Low186 Ų186148.4 Ų148.487%0.86980%0.801SS**THydrogen-bonded Turntrans-12522.3175.1-153.5-176.2138.400112.3V169V169-E171 VanDerWaalsContact C-N 3.35Å; V169-E171 PolarHBondContact O-N 2.79Å
172K49Very low49.9Very low202 Ų202153.7 Ų153.788%0.87882%0.816SS**SBendtrans-159.953.2-179.8-123.8173.8-173.4178.40114
173A51.1Low49.9Very low101 Ų101154 Ų15484%0.83582%0.819SS**  trans-161.837.6170.400000114
174S47.8Very low49.6Very low124 Ų124154.5 Ų154.587%0.86783%0.829SS**  trans-129.167.5171.8-167.70000109.2
175D52.3Low49.4Very low152 Ų152162.1 Ų162.181%0.81386%0.855SS**SBendtrans-160.253168.5-144.88.7000111.2
176E51Low49.5Very low194 Ų194165.5 Ų165.591%0.90786%0.855SS**SBendtrans-159.238.1170.2-155130.9-159.600114
177E50.3Low49Very low189 Ų189160 Ų16088%0.88385%0.848SS**SBendtrans-152.644.8170.4-151.4-164.2151.100114.3
178T49.7Very low48.3Very low134 Ų134160.9 Ų160.982%0.82286%0.857SS**SBendtrans-137.67.5169.630.10000114.6
179A54.9Low48Very low107 Ų107158.6 Ų158.688%0.88486%0.857SS**SBendtrans-99.534.1-178.800000114.6
180Q47Very low47.7Very low175 Ų175159.6 Ų159.682%0.81886%0.857SS**SBendtrans-128.6-5.4174.8-134.8172.72500115.6
181F48.5Very low47.6Very low209 Ų209162.6 Ų162.692%0.91786%0.858SS**SBendtrans-110.439.3-178.2-93.6-86000114.4
182Q48.6Very low46.9Very low201 Ų201157.5 Ų157.594%0.93986%0.855SS**SBendtrans-132.814.9167.1-88.1-14958.600114.5
183A53.5Low46.3Very low89 Ų89152 Ų15274%0.73686%0.856SS**SBendtrans-121.11-177.200000115.7
184E44.4Very low45.5Very low192 Ų192150.2 Ų150.290%0.89785%0.847SS**SBendtrans-130.628.3-176.6-145.7176.8174.500114.8
185E42.8Very low44.8Very low194 Ų194152.7 Ų152.791%0.90785%0.845SS**SBendtrans-118.544.8155.6-157.1-167.2-179.800109.9
186K54.9Low44.5Very low209 Ų209151 Ų15191%0.90985%0.845SS**  trans-12958.1162.2-78.3-175.8-179.8173.60108.7
187G40.6Very low44.3Very low68 Ų68148.4 Ų148.470%0.70184%0.836SS**  trans-111.9124.2169.400000110.1
188M37.1Very low43.9Very low189 Ų189149.3 Ų149.393%0.93183%0.832SS**  trans87.675.6165.5-53.2177.176.900117.6
189Q41.5Very low43.2Very low190 Ų190151.9 Ų151.989%0.88883%0.834SS**  trans-80.5112.7134.3-76.4166.627.900107.7
190L40.8Very low42.5Very low145 Ų145153.4 Ų153.476%0.75983%0.828SS**  trans170.9140.6131.8-126.779.6000112.1
191L44.6Very low42.2Very low165 Ų165149 Ų14986%0.86482%0.821SS**  trans86.293.5157.8-55.1168.9000118.2
192G35.3Very low42.4Very low78 Ų78148 Ų14880%0.80482%0.82SS**  trans-17159.5161.900000111.8
193G34.9Very low41.9Very low86 Ų86147.4 Ų147.489%0.88781%0.814SS**  trans-68.4153.4159.500000109.2
194G34.7Very low41Very low64 Ų64149.2 Ų149.266%0.6682%0.816SS**  cis171142.2-1.100000105.5
195H34.6Very low40.4Very low177 Ų177151.9 Ų151.982%0.81982%0.817SS**  trans-175.985150.1-101.9-71.3000108.5
196S45.9Very low40.1Very low116 Ų116145.7 Ų145.781%0.81181%0.806SS**  trans-111.799.3152.954.80000106.8
197L46.6Very low39.1Very low139 Ų139143 Ų14373%0.72880%0.796SS**  trans-99.996.4169-104.7152.9000107.8
198W40.6Very low38.9Very low208 Ų208149.8 Ų149.879%0.78880%0.801SS**  trans35.5110143.8-65.274.8000118
199Q36.1Very low38.5Very low188 Ų188147.5 Ų147.588%0.87979%0.788SS**  -171.3127.9106.5-99.8156.293.300113.2
200D39Very low38.2Very low139 Ų139145.1 Ų145.174%0.74378%0.777SS**  trans-50.2140.7153.4-81.2-48.4000112.2
201A42.3Very low38.3Very low82 Ų82146.5 Ų146.568%0.67878%0.779SS**  -154.386.7123.900000105.8K203A201-K203 PolarHBondContact O-N 2.98Å; A201-K203 VanDerWaalsContact O-N 3.14Å
202E52.5Low37.9Very low190 Ų190144.3 Ų144.389%0.88878%0.777SS**  trans-35.4112.9-173.1-84.8-177.3123.400112.6
203K37.5Very low38.2Very low187 Ų187145.3 Ų145.381%0.81377%0.772SS**  trans-137.8125.1-175.7-96.2-173.3-178.6-1790113.1A201A201-K203 PolarHBondContact O-N 2.98Å; A201-K203 VanDerWaalsContact O-N 3.14Å
204V33.5Very low38.8Very low128 Ų128148.4 Ų148.478%0.77677%0.768SS**  trans82.790.8139.6-175.70000116
205R33.3Very low39.4Very low248 Ų248153.5 Ų153.594%0.93678%0.775SS**  trans-80.8111.7155.2176.2-178.7-91.4-106.91.7108.1
206G36.3Very low39.7Very low64 Ų64155.5 Ų155.566%0.6678%0.775SS**  trans-75.3146.9174.300000113.1
207E34.5Very low39.4Very low153 Ų153157 Ų15772%0.71577%0.769SS**  trans-67.8156.3176.2-117.9-178.9171.300114.2
208R34.8Very low39.2Very low209 Ų209159.3 Ų159.379%0.78978%0.775SS**  trans73.3149.6149.8-75.8-178.9-88.5154.1-6.2117.6
209H30Very low39.3Very low142 Ų142157.6 Ų157.666%0.65778%0.781SS**  cis179.5146.3-9.3176.469.5000105.7
210E34.5Very low39.8Very low140 Ų140156.8 Ų156.865%0.65478%0.777SS**  trans53.2118.1154.8-76.1-178.9-170.500123.5
211E43Very low40.2Very low174 Ų174157 Ų15781%0.81377%0.773SS**  46.6111.6114.7-157.7163.7-177.400119.7
212S36Very low40.7Very low118 Ų118157.8 Ų157.883%0.82577%0.772SS**  trans-166.7115.2139.4-105.50000114.3
213S41.6Very low40.5Very low100 Ų100154.9 Ų154.970%0.69976%0.762SS**  53.1105.2126.4-159.10000119.2H215S213-H215 PolarHBondContact O-N 3.13Å
214N47.3Very low41Very low150 Ų150151 Ų15180%0.80276%0.755SS**  trans-60.4119.9153-80.9-84.1000109.3
215H48.5Very low41.8Very low171 Ų171150.6 Ų150.679%0.79274%0.742SS**  trans-175145.8144.5-77.8-40.6000108.4S213S213-H215 PolarHBondContact O-N 3.13Å
216R40.9Very low42.9Very low220 Ų220141.5 Ų141.583%0.8372%0.721SS**  trans134.1137.6157.8-73.6-147.7151119-8.2110.7
217H39.6Very low43.7Very low147 Ų147144.7 Ų144.768%0.68172%0.716SS**  cis-159.1142.8-31.5-86.2-64.3000103.4L219H217-L219 PolarHBondContact O-N 3.03Å
218H40.6Very low44.6Very low187 Ų187144.1 Ų144.187%0.86671%0.713SS**  trans-63.6128.4167.4-84.2-83.3000109.1E220H218-E220 PolarHBondContact O-N 3.33Å
219L44.6Very low45.7Very low173 Ų173138.7 Ų138.791%0.90670%0.697SS**  trans-72106.9166.9-95.983.9000107.9H217H217-L219 PolarHBondContact O-N 3.03Å
220E46.6Very low47.1Very low170 Ų170137.6 Ų137.679%0.79469%0.692SS**  trans-74.5126.8163.4-128.6155.1108.400108.2H218H218-E220 PolarHBondContact O-N 3.33Å
221Q46Very low48.3Very low143 Ų143135.4 Ų135.467%0.66868%0.682SS**  trans-74.5135.5172.9-78.7-165.5-6.900109.9D223Q221-D223 PolarHBondContact O-N 2.92Å
222P52.3Low49.4Very low99 Ų99129.5 Ų129.564%0.64366%0.662SS**THydrogen-bonded Turntrans-75.9-17.8-174.528.4-34000114.8T224P222-T224 PolarHBondContact O-N 3.28Å
223D48.7Very low50.7Low129 Ų129130.5 Ų130.569%0.6965%0.654SS**Hα-helixtrans-81.9-16.9-167.1-65.8-32.9000114.7Q221Q221-D223 PolarHBondContact O-N 2.92Å
224T48.3Very low51.8Low106 Ų106132 Ų13265%0.6565%0.65SS**Hα-helixtrans-91.1-16.6179.8560000113.7P222P222-T224 PolarHBondContact O-N 3.28Å
225K51.3Low52.4Low119 Ų119132.2 Ų132.252%0.51765%0.646SS.*Hα-helixtrans-84.9-43.4-178.7-161.4178.9-175.5-166.30111.8K227 H228 E229K225-K227 VanDerWaalsContact C-N 3.3Å; K225-K227 PolarHBondContact O-N 3.04Å; K225-H228 PolarHBondContact O-N 3.46Å; K225-E229 WeakPolarHBondContact CE-OE1 3.31Å; K225-E229 HydrophobicContact CG-CG 4.43Å; K225-E229 IonicContact NZ-OE1 3.8Å; K225-E229 WeakPolarHBondContact O-CG 3.07Å; K225-E229 PolarHBondContact O-N 2.9Å
226A54.9Low53Low58 Ų58130.3 Ų130.348%0.47964%0.638SS.*Hα-helixtrans-60.6-37179.600000113E230A226-E230 WeakPolarHBondContact O-CB 3.5Å; A226-E230 PolarHBondContact O-N 2.9Å; A226-E230 VanDerWaalsContact O-N 3.07Å
227K52.8Low54Low131 Ų131122.5 Ų122.557%0.5762%0.62SS**Hα-helixtrans-73.4-32.4-179.8-166.3179.6174.7-166.10113.3K225 E231K225-K227 VanDerWaalsContact C-N 3.3Å; K225-K227 PolarHBondContact O-N 3.04Å; K227-E231 WeakPolarHBondContact CE-OE1 3.46Å; K227-E231 IonicContact NZ-OE1 3.09Å; K227-E231 WeakPolarHBondContact O-CG 3.27Å; K227-E231 PolarHBondContact O-N 3.3Å
228H53.9Low54.9Low140 Ų140118.1 Ų118.165%0.64861%0.61SS**Hα-helixtrans-81.2-30.2179.1-141.648.2000111.8K225 E231 A232K225-H228 PolarHBondContact O-N 3.46Å; H228-E231 IonicContact ND1-OE2 2.76Å; H228-A232 VanDerWaalsContact O-CB 3.31Å; H228-A232 WeakPolarHBondContact O-CB 3.46Å; H228-A232 PolarHBondContact O-N 3.46Å; H228-A232 VanDerWaalsContact O-N 3.13Å
229E58.5Low55.9Low96 Ų96112.3 Ų112.345%0.44959%0.59SS.*Hα-helixtrans-68.5-41.3171.1-71.5172.216600111.1K225 A232 E233K225-E229 WeakPolarHBondContact CE-OE1 3.31Å; K225-E229 HydrophobicContact CG-CG 4.43Å; K225-E229 IonicContact NZ-OE1 3.8Å; K225-E229 WeakPolarHBondContact O-CG 3.07Å; K225-E229 PolarHBondContact O-N 2.9Å; E229-A232 PolarHBondContact O-N 3.42Å; E229-E233 WeakPolarHBondContact O-CB 3.37Å; E229-E233 WeakPolarHBondContact O-CG 3.49Å; E229-E233 PolarHBondContact O-N 3.38Å
230E59.6Low57Low119 Ų119110.9 Ų110.956%0.55658%0.579SS**Hα-helixtrans-64.7-44.5175.5-173.3179.3174.800112.7A226 A232 E233 E234A226-E230 WeakPolarHBondContact O-CB 3.5Å; A226-E230 PolarHBondContact O-N 2.9Å; A226-E230 VanDerWaalsContact O-N 3.07Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 3.03Å; E230-E233 PolarHBondContact O-N 2.62Å; E230-E234 PolarHBondContact O-N 2.79Å
231E59Low58.2Low94 Ų94109.7 Ų109.744%0.43957%0.573SS.*Hα-helixtrans-65.3-34.3176.6-73.9172.4-17900112.1K227 H228 E235K227-E231 WeakPolarHBondContact CE-OE1 3.46Å; K227-E231 IonicContact NZ-OE1 3.09Å; K227-E231 WeakPolarHBondContact O-CG 3.27Å; K227-E231 PolarHBondContact O-N 3.3Å; H228-E231 IonicContact ND1-OE2 2.76Å; E231-E235 PolarHBondContact O-N 2.88Å; E231-E235 VanDerWaalsContact O-N 3.14Å
232A66.3Low59.1Low49 Ų49109.3 Ų109.341%0.40557%0.571SS.*Hα-helixtrans-72.9-38.8175.700000112.7H228 E229 E230 E235 E236H228-A232 VanDerWaalsContact O-CB 3.31Å; H228-A232 WeakPolarHBondContact O-CB 3.46Å; H228-A232 PolarHBondContact O-N 3.46Å; H228-A232 VanDerWaalsContact O-N 3.13Å; E229-A232 PolarHBondContact O-N 3.42Å; E230-A232 VanDerWaalsContact C-N 3.32Å; E230-A232 PolarHBondContact O-N 3.03Å; A232-E235 PolarHBondContact O-N 3.14Å; A232-E236 WeakPolarHBondContact O-CG 3.36Å; A232-E236 PolarHBondContact O-N 3.11Å
233E63.9Low60.4Low140 Ų140109.9 Ų109.965%0.65457%0.569SS**Hα-helixtrans-66.5-36.4175.1-75.1-178.1-177.400112E229 E230 A237E229-E233 WeakPolarHBondContact O-CB 3.37Å; E229-E233 WeakPolarHBondContact O-CG 3.49Å; E229-E233 PolarHBondContact O-N 3.38Å; E230-E233 PolarHBondContact O-N 2.62Å; E233-A237 VanDerWaalsContact O-CB 3.31Å; E233-A237 WeakPolarHBondContact O-CB 3.03Å; E233-A237 PolarHBondContact O-N 3.22Å
234E63.6Low62Low132 Ų132105 Ų10562%0.61755%0.55SS*.Hα-helixtrans-68.3-38.7174.1-75-168.8158.800112.6E230 A238E230-E234 PolarHBondContact O-N 2.79Å; E234-A238 WeakPolarHBondContact O-CB 3.29Å; E234-A238 PolarHBondContact O-N 3.2Å
235E61.2Low63.9Low153 Ų153103.9 Ų103.972%0.71554%0.542SS*.Hα-helixtrans-68.9-40.7175.1-78.9-165.8161.700112.4E231 A232 A238 S239E231-E235 PolarHBondContact O-N 2.88Å; E231-E235 VanDerWaalsContact O-N 3.14Å; A232-E235 PolarHBondContact O-N 3.14Å; E235-A238 PolarHBondContact O-N 3.45Å; E235-S239 PolarHBondContact O-N 3.46Å; E235-S239 PolarHBondContact O-OG 3.28Å
236E59.5Low65.6Low131 Ų131102.5 Ų102.561%0.61254%0.541SS*.Hα-helixtrans-62.9-47.6174.9-76.7-167.4170.300111A232 A238 S239 E240A232-E236 WeakPolarHBondContact O-CG 3.36Å; A232-E236 PolarHBondContact O-N 3.11Å; E236-A238 VanDerWaalsContact C-N 3.26Å; E236-A238 PolarHBondContact O-N 3.13Å; E236-S239 PolarHBondContact O-N 3.05Å; E236-S239 VanDerWaalsContact O-N 3.13Å; E236-S239 PolarHBondContact O-OG 3.35Å; E236-E240 WeakPolarHBondContact O-CG 3.04Å; E236-E240 PolarHBondContact O-N 3.32Å
237A62.8Low67.3Low56 Ų56107.4 Ų107.446%0.46355%0.547SS..Hα-helixtrans-62.5-31.5177.600000113.2E233 Q241E233-A237 VanDerWaalsContact O-CB 3.31Å; E233-A237 WeakPolarHBondContact O-CB 3.03Å; E233-A237 PolarHBondContact O-N 3.22Å; A237-Q241 WeakPolarHBondContact O-CB 3.31Å; A237-Q241 PolarHBondContact O-N 3.4Å
238A59.4Low69.4Low56 Ų56106.6 Ų106.646%0.46355%0.548SS..Hα-helixtrans-71.3-41174.100000112E234 E235 E236 Q241 E242E234-A238 WeakPolarHBondContact O-CB 3.29Å; E234-A238 PolarHBondContact O-N 3.2Å; E235-A238 PolarHBondContact O-N 3.45Å; E236-A238 VanDerWaalsContact C-N 3.26Å; E236-A238 PolarHBondContact O-N 3.13Å; A238-Q241 PolarHBondContact O-N 3.49Å; A238-E242 PolarHBondContact O-N 3.36Å
239S59.9Low71.3Confident65 Ų65105.2 Ų105.246%0.45554%0.542SS..Hα-helixtrans-68.7-39.2177.371.60000113E235 E236 Q241 E242 D243E235-S239 PolarHBondContact O-N 3.46Å; E235-S239 PolarHBondContact O-OG 3.28Å; E236-S239 PolarHBondContact O-N 3.05Å; E236-S239 VanDerWaalsContact O-N 3.13Å; E236-S239 PolarHBondContact O-OG 3.35Å; S239-Q241 VanDerWaalsContact C-N 3.27Å; S239-Q241 PolarHBondContact O-N 3.12Å; S239-E242 PolarHBondContact O-N 2.99Å; S239-D243 PolarHBondContact O-N 2.91Å
240E69.2Low73Confident142 Ų142105.6 Ų105.666%0.66454%0.543SS*.Hα-helixtrans-65.9-31.7174-70.3-173.4149.700111.8E236 G244E236-E240 WeakPolarHBondContact O-CG 3.04Å; E236-E240 PolarHBondContact O-N 3.32Å; E240-G244 PolarHBondContact O-N 3.34Å; E240-G244 VanDerWaalsContact O-N 3.07Å
241Q70.9Confident74.7Confident146 Ų146104.2 Ų104.268%0.68254%0.538SS*.Hα-helixtrans-70.4-40.9174.3176.8170.997.100112A237 A238 S239 G244 V245A237-Q241 WeakPolarHBondContact O-CB 3.31Å; A237-Q241 PolarHBondContact O-N 3.4Å; A238-Q241 PolarHBondContact O-N 3.49Å; S239-Q241 VanDerWaalsContact C-N 3.27Å; S239-Q241 PolarHBondContact O-N 3.12Å; Q241-G244 PolarHBondContact O-N 2.87Å; Q241-V245 WeakPolarHBondContact O-CG2 3.35Å; Q241-V245 PolarHBondContact O-N 3.49Å; Q241-V245 VanDerWaalsContact O-N 3.13Å
242E65.1Low76.5Confident135 Ų135104.7 Ų104.763%0.63154%0.54SS*.Hα-helixtrans-63.5-47.8176.4-168.5169.9-171.500111.1A238 S239 G244 V245 D246A238-E242 PolarHBondContact O-N 3.36Å; S239-E242 PolarHBondContact O-N 2.99Å; E242-G244 VanDerWaalsContact C-N 3.26Å; E242-G244 PolarHBondContact O-N 3.36Å; E242-V245 PolarHBondContact O-N 2.9Å; E242-D246 PolarHBondContact O-N 3.41Å
243D80Confident78Confident111 Ų111107.7 Ų107.759%0.59455%0.546SS*.Hα-helixtrans-58.6-37.8174.4-176.466.4000112.2S239 V245 D246 R247S239-D243 PolarHBondContact O-N 2.91Å; D243-V245 VanDerWaalsContact C-N 3.33Å; D243-V245 PolarHBondContact O-N 3.14Å; D243-D246 PolarHBondContact O-N 3.49Å; D243-R247 VanDerWaalsContact O-CB 3.25Å; D243-R247 WeakPolarHBondContact O-CB 3.47Å; D243-R247 PolarHBondContact O-N 3.49Å
244G82.9Confident79.6Confident27 Ų27105.3 Ų105.328%0.27853%0.534SS..Hα-helixtrans-63-36.5174.900000113.7E240 Q241 E242 L248E240-G244 PolarHBondContact O-N 3.34Å; E240-G244 VanDerWaalsContact O-N 3.07Å; Q241-G244 PolarHBondContact O-N 2.87Å; E242-G244 VanDerWaalsContact C-N 3.26Å; E242-G244 PolarHBondContact O-N 3.36Å; G244-L248 WeakPolarHBondContact O-CB 3.29Å; G244-L248 WeakPolarHBondContact O-CD1 3.26Å; G244-L248 WeakPolarHBondContact O-CG 3.29Å; G244-L248 PolarHBondContact O-N 2.89Å; G244-L248 VanDerWaalsContact O-N 3.14Å
245V86.5Confident81.2Confident82 Ų82104.4 Ų104.450%0.49753%0.533SS..Hα-helixtrans-72.7-45.7178.5172.90000110.6Q241 E242 D243 R247 L248 E249Q241-V245 WeakPolarHBondContact O-CG2 3.35Å; Q241-V245 PolarHBondContact O-N 3.49Å; Q241-V245 VanDerWaalsContact O-N 3.13Å; E242-V245 PolarHBondContact O-N 2.9Å; D243-V245 VanDerWaalsContact C-N 3.33Å; D243-V245 PolarHBondContact O-N 3.14Å; V245-R247 VanDerWaalsContact C-N 3.31Å; V245-R247 PolarHBondContact O-N 3.29Å; V245-L248 WeakPolarHBondContact O-CB 3.47Å; V245-L248 PolarHBondContact O-N 2.95Å; V245-L248 VanDerWaalsContact O-N 3.1Å; V245-E249 PolarHBondContact O-N 3.46Å
246D87.4Confident82.9Confident90 Ų90103.2 Ų103.248%0.48153%0.526SS..Hα-helixtrans-62.7-41.1178.9-68.4-16.9000111.1E242 D243 L248 E249 H250E242-D246 PolarHBondContact O-N 3.41Å; D243-D246 PolarHBondContact O-N 3.49Å; D246-L248 VanDerWaalsContact C-N 3.33Å; D246-L248 PolarHBondContact O-N 3.29Å; D246-E249 PolarHBondContact O-N 2.93Å; D246-H250 WeakPolarHBondContact O-CB 3.47Å; D246-H250 PolarHBondContact O-N 2.87Å
247R91.6Very high84.8Confident161 Ų161103.3 Ų103.361%0.60852%0.524SS*.Hα-helixtrans-62.8-38174.1-175.5173.5170.5-81.5-3.8112.6D243 V245 M251D243-R247 VanDerWaalsContact O-CB 3.25Å; D243-R247 WeakPolarHBondContact O-CB 3.47Å; D243-R247 PolarHBondContact O-N 3.49Å; V245-R247 VanDerWaalsContact C-N 3.31Å; V245-R247 PolarHBondContact O-N 3.29Å; R247-M251 VanDerWaalsContact O-CG 3.32Å; R247-M251 WeakPolarHBondContact O-CG 3.15Å; R247-M251 PolarHBondContact O-N 3.34Å; R247-M251 VanDerWaalsContact O-N 3.13Å
248L95.6Very high86.4Confident114 Ų114103.3 Ų103.360%0.59753%0.525SS*.Hα-helixtrans-69.2-41.9176.1-86.9159.6000111.9G244 V245 D246 M251 E252G244-L248 WeakPolarHBondContact O-CB 3.29Å; G244-L248 WeakPolarHBondContact O-CD1 3.26Å; G244-L248 WeakPolarHBondContact O-CG 3.29Å; G244-L248 PolarHBondContact O-N 2.89Å; G244-L248 VanDerWaalsContact O-N 3.14Å; V245-L248 WeakPolarHBondContact O-CB 3.47Å; V245-L248 PolarHBondContact O-N 2.95Å; V245-L248 VanDerWaalsContact O-N 3.1Å; D246-L248 VanDerWaalsContact C-N 3.33Å; D246-L248 PolarHBondContact O-N 3.29Å; L248-M251 PolarHBondContact O-N 3.36Å; L248-E252 PolarHBondContact O-N 2.88Å
249E94.4Very high88.1Confident111 Ų111105.1 Ų105.152%0.51953%0.53SS..Hα-helixtrans-61.3-46.7176.1-176.5166.7-151.500110.7V245 D246 M251 E252 E253V245-E249 PolarHBondContact O-N 3.46Å; D246-E249 PolarHBondContact O-N 2.93Å; E249-M251 VanDerWaalsContact C-N 3.32Å; E249-M251 PolarHBondContact O-N 2.98Å; E249-E252 WeakPolarHBondContact O-CB 3.13Å; E249-E252 PolarHBondContact O-N 3.02Å; E249-E252 VanDerWaalsContact O-N 3.07Å; E249-E253 PolarHBondContact O-N 3.37Å
250H94.3Very high89.8Confident104 Ų104104.7 Ų104.748%0.48153%0.53SS..Hα-helixtrans-58.1-44.1175.4-172.678.2000112.2D246 E252 E253 Q254D246-H250 WeakPolarHBondContact O-CB 3.47Å; D246-H250 PolarHBondContact O-N 2.87Å; H250-E252 VanDerWaalsContact C-N 3.31Å; H250-E252 PolarHBondContact O-N 3.3Å; H250-E253 PolarHBondContact O-N 2.67Å; H250-Q254 PolarHBondContact CE1-NE2 3.15Å; H250-Q254 PolarHBondContact NE2-NE2 2.95Å; H250-Q254 VanDerWaalsContact NE2-NE2 3.12Å; H250-Q254 WeakPolarHBondContact O-CG 3.45Å; H250-Q254 PolarHBondContact O-N 3.46Å
251M95.9Very high91Very high90 Ų90103.7 Ų103.744%0.44353%0.527SS..Hα-helixtrans-62.9-37.3176.2-74.8-176.668.100112.5R247 L248 E249 Q254 L255R247-M251 VanDerWaalsContact O-CG 3.32Å; R247-M251 WeakPolarHBondContact O-CG 3.15Å; R247-M251 PolarHBondContact O-N 3.34Å; R247-M251 VanDerWaalsContact O-N 3.13Å; L248-M251 PolarHBondContact O-N 3.36Å; E249-M251 VanDerWaalsContact C-N 3.32Å; E249-M251 PolarHBondContact O-N 2.98Å; M251-Q254 PolarHBondContact O-N 2.92Å; M251-L255 WeakPolarHBondContact O-CB 3.24Å; M251-L255 WeakPolarHBondContact O-CG 3.32Å; M251-L255 PolarHBondContact O-N 3.39Å
252E96.6Very high92.1Very high103 Ų103102.2 Ų102.248%0.48152%0.523SS..Hα-helixtrans-63.3-43.5175.5-168.6-171.6155.400111.6L248 E249 H250 L255 K256L248-E252 PolarHBondContact O-N 2.88Å; E249-E252 WeakPolarHBondContact O-CB 3.13Å; E249-E252 PolarHBondContact O-N 3.02Å; E249-E252 VanDerWaalsContact O-N 3.07Å; H250-E252 VanDerWaalsContact C-N 3.31Å; H250-E252 PolarHBondContact O-N 3.3Å; E252-L255 PolarHBondContact O-N 3.42Å; E252-K256 HydrophobicContact CG-CD 4.39Å; E252-K256 WeakPolarHBondContact O-CB 3.36Å; E252-K256 WeakPolarHBondContact O-CG 3.31Å; E252-K256 PolarHBondContact O-N 3.45Å; E252-K256 WeakPolarHBondContact OE1-CE 3.27Å; E252-K256 IonicContact OE1-NZ 2.84Å; E252-K256 PolarHBondContact OE1-NZ 3.11Å
253E97.1Very high93.4Very high113 Ų11397.7 Ų97.753%0.52851%0.512SS..Hα-helixtrans-61.6-44.2176.4-68.7-171.1155.400112.1E249 H250 L255 K256 K257E249-E253 PolarHBondContact O-N 3.37Å; H250-E253 PolarHBondContact O-N 2.67Å; E253-L255 VanDerWaalsContact C-N 3.34Å; E253-L255 PolarHBondContact O-N 2.85Å; E253-K256 PolarHBondContact O-N 3.01Å; E253-K257 WeakPolarHBondContact O-CB 3.29Å; E253-K257 PolarHBondContact O-N 2.68Å
254Q97.6Very high93.9Very high89 Ų8997.5 Ų97.542%0.41651%0.508SS..Hα-helixtrans-62.6-41.6176.5-65.1-64.6-10.600111.7H250 M251 K257 A258H250-Q254 PolarHBondContact CE1-NE2 3.15Å; H250-Q254 PolarHBondContact NE2-NE2 2.95Å; H250-Q254 VanDerWaalsContact NE2-NE2 3.12Å; H250-Q254 WeakPolarHBondContact O-CG 3.45Å; H250-Q254 PolarHBondContact O-N 3.46Å; M251-Q254 PolarHBondContact O-N 2.92Å; Q254-K257 PolarHBondContact O-N 3.44Å; Q254-A258 WeakPolarHBondContact O-CB 3.4Å; Q254-A258 PolarHBondContact O-N 3.32Å
255L97.6Very high94Very high113 Ų11398.9 Ų98.959%0.59252%0.517SS*.Hα-helixtrans-65-42.3176.2-77.4168.5000112M251 E252 E253 K257 A258 T259M251-L255 WeakPolarHBondContact O-CB 3.24Å; M251-L255 WeakPolarHBondContact O-CG 3.32Å; M251-L255 PolarHBondContact O-N 3.39Å; E252-L255 PolarHBondContact O-N 3.42Å; E253-L255 VanDerWaalsContact C-N 3.34Å; E253-L255 PolarHBondContact O-N 2.85Å; L255-K257 VanDerWaalsContact C-N 3.34Å; L255-K257 PolarHBondContact O-N 3.37Å; L255-A258 PolarHBondContact O-N 2.75Å; L255-T259 WeakPolarHBondContact O-CB 3.4Å; L255-T259 PolarHBondContact O-N 2.06Å; L255-T259 PolarHBondContact O-OG1 3.1Å
256K97.5Very high94Very high129 Ų129100.1 Ų100.156%0.56152%0.52SS*.Hα-helixtrans-59-45.8173.6-81.8167.7170.6160.70111.1E252 E253 T259 A260E252-K256 HydrophobicContact CG-CD 4.39Å; E252-K256 WeakPolarHBondContact O-CB 3.36Å; E252-K256 WeakPolarHBondContact O-CG 3.31Å; E252-K256 PolarHBondContact O-N 3.45Å; E252-K256 WeakPolarHBondContact OE1-CE 3.27Å; E252-K256 IonicContact OE1-NZ 2.84Å; E252-K256 PolarHBondContact OE1-NZ 3.11Å; E253-K256 PolarHBondContact O-N 3.01Å; K256-T259 PolarHBondContact O-N 2.86Å; K256-A260 WeakPolarHBondContact O-CB 3.37Å; K256-A260 PolarHBondContact O-N 3.47Å
257K97.8Very high93.8Very high132 Ų13299.4 Ų99.457%0.57453%0.527SS*.Hα-helixtrans-61.8-48.8177.7-175179179.8-178.90112E253 Q254 L255 T259 A260 M261E253-K257 WeakPolarHBondContact O-CB 3.29Å; E253-K257 PolarHBondContact O-N 2.68Å; Q254-K257 PolarHBondContact O-N 3.44Å; L255-K257 VanDerWaalsContact C-N 3.34Å; L255-K257 PolarHBondContact O-N 3.37Å; K257-T259 VanDerWaalsContact C-N 3.3Å; K257-T259 PolarHBondContact O-N 2.9Å; K257-A260 PolarHBondContact O-N 2.87Å; K257-M261 HydrophobicContact CG-SD 4.42Å; K257-M261 WeakPolarHBondContact O-CG 3.36Å; K257-M261 PolarHBondContact O-N 2.77Å
258A96.9Very high93Very high57 Ų57101 Ų10147%0.47153%0.533SS..Hα-helixtrans-60-41.8177.400000111.8Q254 L255 M261 L262Q254-A258 WeakPolarHBondContact O-CB 3.4Å; Q254-A258 PolarHBondContact O-N 3.32Å; L255-A258 PolarHBondContact O-N 2.75Å; A258-M261 PolarHBondContact O-N 3.41Å; A258-L262 WeakPolarHBondContact O-CB 3.33Å; A258-L262 PolarHBondContact O-N 2.67Å
259T95.9Very high92Very high93 Ų93103.5 Ų103.557%0.57154%0.541SS*.Hα-helixtrans-65.3-41178-54.60000111.8L255 K256 K257 L262 G263L255-T259 WeakPolarHBondContact O-CB 3.4Å; L255-T259 PolarHBondContact O-N 2.06Å; L255-T259 PolarHBondContact O-OG1 3.1Å; K256-T259 PolarHBondContact O-N 2.86Å; K257-T259 VanDerWaalsContact C-N 3.3Å; K257-T259 PolarHBondContact O-N 2.9Å; T259-L262 PolarHBondContact O-N 3.13Å; T259-G263 PolarHBondContact O-N 3.38Å
260A95.6Very high90Very high56 Ų56104.1 Ų104.146%0.46358%0.578SS.*Hα-helixtrans-62.5-45.5175.200000111.5K256 K257 L262 G263 E264K256-A260 WeakPolarHBondContact O-CB 3.37Å; K256-A260 PolarHBondContact O-N 3.47Å; K257-A260 PolarHBondContact O-N 2.87Å; A260-L262 VanDerWaalsContact C-N 3.34Å; A260-L262 PolarHBondContact O-N 3.45Å; A260-G263 PolarHBondContact O-N 3.4Å; A260-E264 PolarHBondContact O-N 3.39Å
261M94.3Very high89.7Confident122 Ų122104.2 Ų104.260%0.60158%0.582SS**Hα-helixtrans-61.9-40.7176.6-70.4178.663.700112.4K257 A258 E264 A265K257-M261 HydrophobicContact CG-SD 4.42Å; K257-M261 WeakPolarHBondContact O-CG 3.36Å; K257-M261 PolarHBondContact O-N 2.77Å; A258-M261 PolarHBondContact O-N 3.41Å; M261-E264 PolarHBondContact O-N 2.87Å; M261-A265 WeakPolarHBondContact O-CB 3.42Å; M261-A265 PolarHBondContact O-N 3.07Å
262L94.5Very high89.4Confident115 Ų115104.9 Ų104.960%0.60259%0.59SS**Hα-helixtrans-64.4-43.5175.9-162.888.6000111.1A258 T259 A260 E264 A265 L266A258-L262 WeakPolarHBondContact O-CB 3.33Å; A258-L262 PolarHBondContact O-N 2.67Å; T259-L262 PolarHBondContact O-N 3.13Å; A260-L262 VanDerWaalsContact C-N 3.34Å; A260-L262 PolarHBondContact O-N 3.45Å; L262-E264 VanDerWaalsContact C-N 3.35Å; L262-E264 PolarHBondContact O-N 3.21Å; L262-A265 PolarHBondContact O-N 3.34Å; L262-L266 HydrophobicContact CD2-CD1 4.38Å; L262-L266 HydrophobicContact CG-CD1 4.33Å; L262-L266 VanDerWaalsContact O-CG 3.29Å; L262-L266 WeakPolarHBondContact O-CG 3.49Å; L262-L266 PolarHBondContact O-N 3.23Å
263G92.5Very high89Confident39 Ų39105 Ų10540%0.40260%0.596SS.*Hα-helixtrans-60.8-42.3175.500000112.6T259 A260 A267T259-G263 PolarHBondContact O-N 3.38Å; A260-G263 PolarHBondContact O-N 3.4Å; G263-A267 WeakPolarHBondContact O-CB 3.12Å; G263-A267 PolarHBondContact O-N 2.94Å
264E89.8Confident88.5Confident108 Ų108104.5 Ų104.551%0.50560%0.6SS.*Hα-helixtrans-65.5-40.1174.2-76.9-170.1-162.600113.1A260 M261 L262 A267 R268A260-E264 PolarHBondContact O-N 3.39Å; M261-E264 PolarHBondContact O-N 2.87Å; L262-E264 VanDerWaalsContact C-N 3.35Å; L262-E264 PolarHBondContact O-N 3.21Å; E264-A267 PolarHBondContact O-N 3.34Å; E264-R268 VanDerWaalsContact O-CG 3.3Å; E264-R268 WeakPolarHBondContact O-CG 3.37Å; E264-R268 PolarHBondContact O-N 3.46Å; E264-R268 IonicContact OE2-CZ 3.98Å; E264-R268 IonicContact OE2-NH2 2.86Å; E264-R268 PolarHBondContact OE2-NH2 3.45Å
265A84.9Confident88Confident55 Ų55105.5 Ų105.546%0.45561%0.611SS.*Hα-helixtrans-63-45.8177.700000111M261 L262 A267 R268 E269M261-A265 WeakPolarHBondContact O-CB 3.42Å; M261-A265 PolarHBondContact O-N 3.07Å; L262-A265 PolarHBondContact O-N 3.34Å; A265-A267 VanDerWaalsContact C-N 3.33Å; A265-A267 PolarHBondContact O-N 3.49Å; A265-R268 PolarHBondContact O-N 3.23Å; A265-E269 PolarHBondContact O-N 3.02Å
266L87.4Confident87.3Confident108 Ų108105 Ų10557%0.56561%0.613SS**Hα-helixtrans-64.6-35.8177.4-68.5170.7000112.4L262 R268 E269 G270L262-L266 HydrophobicContact CD2-CD1 4.38Å; L262-L266 HydrophobicContact CG-CD1 4.33Å; L262-L266 VanDerWaalsContact O-CG 3.29Å; L262-L266 WeakPolarHBondContact O-CG 3.49Å; L262-L266 PolarHBondContact O-N 3.23Å; L266-R268 VanDerWaalsContact C-N 3.26Å; L266-R268 PolarHBondContact O-N 3.43Å; L266-E269 PolarHBondContact O-N 3.31Å; L266-G270 PolarHBondContact O-N 3.14Å
267A82.2Confident86.6Confident76 Ų76103.3 Ų103.363%0.62862%0.616SS**Hα-helixtrans-69.7-20.2176.400000113.8G263 E264 A265G263-A267 WeakPolarHBondContact O-CB 3.12Å; G263-A267 PolarHBondContact O-N 2.94Å; E264-A267 PolarHBondContact O-N 3.34Å; A265-A267 VanDerWaalsContact C-N 3.33Å; A265-A267 PolarHBondContact O-N 3.49Å
268R75.6Confident85.8Confident193 Ų193101.1 Ų101.173%0.72862%0.62SS**Hα-helixtrans-89-17.3175.9-66.7172.9-155.9-158.58.3112.9E264 A265 L266E264-R268 VanDerWaalsContact O-CG 3.3Å; E264-R268 WeakPolarHBondContact O-CG 3.37Å; E264-R268 PolarHBondContact O-N 3.46Å; E264-R268 IonicContact OE2-CZ 3.98Å; E264-R268 IonicContact OE2-NH2 2.86Å; E264-R268 PolarHBondContact OE2-NH2 3.45Å; A265-R268 PolarHBondContact O-N 3.23Å; L266-R268 VanDerWaalsContact C-N 3.26Å; L266-R268 PolarHBondContact O-N 3.43Å
269E72.8Confident84.8Confident168 Ų168104.8 Ų104.879%0.78563%0.632SS**Hα-helixtrans-94.9-14.5-177.4-163.4169.2-163.300113.4A265 L266A265-E269 PolarHBondContact O-N 3.02Å; L266-E269 PolarHBondContact O-N 3.31Å
270G52.5Low83.8Confident124 Ų124105.8 Ų105.8100%1.27864%0.637SS**  trans-91.70172.500000113.8L266L266-G270 PolarHBondContact O-N 3.14Å

Retrieved 270 of 270 residues in 35.6 ms (Link to these results)