A0A3Q0KJM2_SCHMA Loading...

Serine/threonine-protein

AlphaFold DB , UniProt , Accession A0A3Q0KJM2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 322 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
1M31.8Very low29.2Very low235 Ų235168.6 Ų168.6100%1.15885%0.848SS**  0101.30-69.2-175.3-173.600108.6
2H33Very low29Very low201 Ų201161.4 Ų161.493%0.93183%0.834SS**  trans-157.8129.8165.2-107.758.1000108.9
3K27.8Very low28.8Very low205 Ų205159.5 Ų159.589%0.89184%0.838SS**  trans-83.9147.1176.2-70.9178.5174.8178.60109.7
4S31Very low29.1Very low124 Ų124157.4 Ų157.487%0.86784%0.835SS**  trans-143.6144.5151.1-166.90000110.3
5T30.1Very low29Very low118 Ų118158.7 Ų158.772%0.72484%0.835SS**  trans-107.6148.8-173.2-58.70000108.4
6I28.8Very low29.1Very low151 Ų151164.4 Ų164.477%0.77484%0.841SS**  163.2121.4129.3-81.3164000113.5
7S26.8Very low29.2Very low100 Ų100163.9 Ų163.970%0.69984%0.841SS**  trans52.6121.4142.4840000126.2
8R26Very low29.7Very low221 Ų221159.9 Ų159.983%0.83483%0.83SS**  45.5120126.8-77.2-176.7174.1177.6-0.1120.6
9I30.1Very low29.9Very low164 Ų164154.6 Ų154.684%0.84182%0.819SS**  -134128.1129.7-61.5-178.3000109.1
10R27.1Very low30.5Very low229 Ų229151.2 Ų151.286%0.86480%0.804SS**  trans-101.3138.2164.4-88-177.5170.8-174.9-2.8108.2
11S28.8Very low30.9Very low107 Ų107148.3 Ų148.375%0.74879%0.788SS**  trans-170.8102.8148.627.30000107.1
12A27Very low31.3Very low82 Ų82143.7 Ų143.768%0.67877%0.767SS**  95.8116.691.500000111.2T14A12-T14 PolarHBondContact O-N 3.48Å
13P26.4Very low31.9Very low137 Ų137139.4 Ų139.489%0.8975%0.751SS**  trans-81.5107.2169.930.5-26000108.6Q15P13-Q15 PolarHBondContact O-N 3.17Å
14T32.3Very low32.9Very low130 Ų130134.6 Ų134.680%0.79873%0.732SS**  trans-71.3125.9175.7-270000109.9A12A12-T14 PolarHBondContact O-N 3.48Å
15Q27.7Very low34.2Very low177 Ų177132.1 Ų132.183%0.82771%0.709SS**  trans0119.4165.1-65.7174.5-8.300117.7P13 N17P13-Q15 PolarHBondContact O-N 3.17Å; Q15-N17 PolarHBondContact O-N 3.36Å; Q15-N17 VanDerWaalsContact O-N 3.15Å
16R30.4Very low35.7Very low249 Ų249130.4 Ų130.494%0.9470%0.701SS**  trans-67.5106.8158.9-78.5-175.1-177.4-162.1-1.3108.7S18R16-S18 PolarHBondContact O-N 2.94Å
17N31.8Very low37.7Very low156 Ų156124.6 Ų124.683%0.83468%0.676SS**  trans-59.3109.5160.1-113.7-7.3000108.7Q15 G19Q15-N17 PolarHBondContact O-N 3.36Å; Q15-N17 VanDerWaalsContact O-N 3.15Å; N17-G19 PolarHBondContact O-N 3.47Å
18S37.5Very low40.2Very low93 Ų93120.5 Ų120.565%0.6565%0.645SS**  trans-86.363.5162.853.50000109.2R16R16-S18 PolarHBondContact O-N 2.94Å
19G34.4Very low42.9Very low59 Ų59112.5 Ų112.561%0.60863%0.626SS**  trans-102.7106.4162.100000107N17 N21N17-G19 PolarHBondContact O-N 3.47Å; G19-N21 PolarHBondContact O-N 2.86Å
20V40.5Very low45.8Very low85 Ų85106.5 Ų106.552%0.51560%0.597SS.*  trans-58.4121.4171179.10000107I22 L25V20-I22 PolarHBondContact O-N 3.09Å; V20-L25 HydrophobicContact CG1-CD1 4.14Å; V20-L25 HydrophobicContact CG1-CG 4.04Å
21N38.8Very low48.9Very low91 Ų9196.8 Ų96.849%0.48756%0.562SS.*  trans-64132.3179.6-171.5-7.1000108.5G19 D23 E24 L25G19-N21 PolarHBondContact O-N 2.86Å; N21-D23 PolarHBondContact O-N 3Å; N21-D23 VanDerWaalsContact O-N 3.15Å; N21-D23 PolarHBondContact OD1-N 3.3Å; N21-E24 HydrophobicContact CB-CG 4.44Å; N21-E24 WeakPolarHBondContact O-CB 3.37Å; N21-E24 PolarHBondContact O-N 3.23Å; N21-L25 PolarHBondContact O-N 3.07Å
22I41.8Very low52Low138 Ų13895.7 Ų95.771%0.70856%0.555SS**Hα-helixtrans-57.3-30.8179.5-63.8172.1000110.4V20 L25 S26V20-I22 PolarHBondContact O-N 3.09Å; I22-L25 PolarHBondContact O-N 3.47Å; I22-S26 PolarHBondContact O-N 3.09Å
23D44.5Very low55.3Low112 Ų11293.8 Ų93.860%0.59953%0.533SS*.Hα-helixtrans-64-37.9174.3-68.9-26000112.7N21 S26 A27N21-D23 PolarHBondContact O-N 3Å; N21-D23 VanDerWaalsContact O-N 3.15Å; N21-D23 PolarHBondContact OD1-N 3.3Å; D23-S26 PolarHBondContact O-N 3Å; D23-S26 PolarHBondContact O-OG 3.44Å; D23-A27 PolarHBondContact O-N 2.87Å; D23-A27 VanDerWaalsContact O-N 3.17Å
24E49.8Very low58.6Low103 Ų10388 Ų8848%0.48149%0.493SS..Hα-helixtrans-65.6-39.7176.3-82.1-176.215100111.5N21 S26 A27 Y28N21-E24 HydrophobicContact CB-CG 4.44Å; N21-E24 WeakPolarHBondContact O-CB 3.37Å; N21-E24 PolarHBondContact O-N 3.23Å; E24-S26 VanDerWaalsContact C-N 3.29Å; E24-S26 PolarHBondContact O-N 3.15Å; E24-A27 WeakPolarHBondContact O-CB 3.38Å; E24-A27 PolarHBondContact O-N 2.81Å; E24-Y28 WeakPolarHBondContact O-CD2 3.49Å; E24-Y28 PolarHBondContact O-N 2.93Å
25L57.1Low61.6Low73 Ų7387 Ų8738%0.38248%0.48SS..Hα-helixtrans-60.4-37.8176.9-88.7156.6000112.2V20 N21 I22 A27 L98V20-L25 HydrophobicContact CG1-CD1 4.14Å; V20-L25 HydrophobicContact CG1-CG 4.04Å; N21-L25 PolarHBondContact O-N 3.07Å; I22-L25 PolarHBondContact O-N 3.47Å; L25-A27 VanDerWaalsContact C-N 3.32Å; L25-L98 VanDerWaalsContact CD2-O 3.24Å; L25-L98 WeakPolarHBondContact CD2-O 3.32Å
26S63.1Low64.8Low81 Ų8181.2 Ų81.257%0.56646%0.457SS*.Hα-helixtrans-68.1-34.3174.4890000111.9I22 D23 E24 Y28 A29I22-S26 PolarHBondContact O-N 3.09Å; D23-S26 PolarHBondContact O-N 3Å; D23-S26 PolarHBondContact O-OG 3.44Å; E24-S26 VanDerWaalsContact C-N 3.29Å; E24-S26 PolarHBondContact O-N 3.15Å; S26-Y28 VanDerWaalsContact C-N 3.3Å; S26-Y28 PolarHBondContact O-N 3.27Å; S26-A29 WeakPolarHBondContact O-CB 3.23Å; S26-A29 PolarHBondContact O-N 2.79Å
27A69.5Low67.8Low29 Ų2973.3 Ų73.324%0.2443%0.43CS..Hα-helixtrans-71-26.4-17800000111.9D23 E24 L25 A29 N33 Y53D23-A27 PolarHBondContact O-N 2.87Å; D23-A27 VanDerWaalsContact O-N 3.17Å; E24-A27 WeakPolarHBondContact O-CB 3.38Å; E24-A27 PolarHBondContact O-N 2.81Å; L25-A27 VanDerWaalsContact C-N 3.32Å; A27-A29 PolarHBondContact O-N 3.25Å; A27-N33 PolarHBondContact O-ND2 3.18Å; A27-Y53 WeakPolarHBondContact CB-OH 3.4Å; A27-Y53 WeakPolarHBondContact O-CE2 3.42Å; A27-Y53 PolarHBondContact O-OH 3.43Å
28Y79.4Confident70.6Confident15 Ų1567.9 Ų67.96%0.05941%0.411CS..THydrogen-bonded Turntrans-75.2-4.7170.2-75.2-82.4000113.8E24 S26 T30 Y34 Y53 Q58 V60 L98 A99 F101 V110E24-Y28 WeakPolarHBondContact O-CD2 3.49Å; E24-Y28 PolarHBondContact O-N 2.93Å; S26-Y28 VanDerWaalsContact C-N 3.3Å; S26-Y28 PolarHBondContact O-N 3.27Å; Y28-T30 PolarHBondContact O-N 3.31Å; Y28-Y34 VanDerWaalsContact C-OH 3.32Å; Y28-Y34 VanDerWaalsContact CA-OH 3.26Å; Y28-Y34 WeakPolarHBondContact CA-OH 3.17Å; Y28-Y34 WeakPolarHBondContact CB-OH 3.49Å; Y28-Y34 AromaticContact CD1-CE1 3.99Å; Y28-Y34 HydrophobicContact CD1-CE1 3.99Å; Y28-Y34 AromaticContact CD1-CZ 3.9Å; Y28-Y34 WeakPolarHBondContact CD1-OH 3.07Å; Y28-Y34 WeakPolarHBondContact O-CE2 3.34Å; Y28-Y34 PolarHBondContact O-OH 3.39Å; Y28-Y53 HydrophobicContact CD1-CD1 4.11Å; Y28-Y53 AromaticContact CD1-CD2 3.75Å; Y28-Y53 HydrophobicContact CD1-CD2 3.75Å; Y28-Y53 HydrophobicContact CD1-CE1 4.12Å; Y28-Y53 AromaticContact CD1-CE2 3.74Å; Y28-Y53 HydrophobicContact CD1-CE2 3.74Å; Y28-Y53 AromaticContact CD1-CG 3.95Å; Y28-Y53 HydrophobicContact CD1-CG 3.95Å; Y28-Y53 AromaticContact CD1-CZ 3.93Å; Y28-Y53 HydrophobicContact CD2-CE1 4.44Å; Y28-Y53 AromaticContact CE1-CD1 3.42Å; Y28-Y53 HydrophobicContact CE1-CD1 3.42Å; Y28-Y53 VanDerWaalsContact CE1-CD1 3.42Å; Y28-Y53 AromaticContact CE1-CD2 3.85Å; Y28-Y53 HydrophobicContact CE1-CD2 3.85Å; Y28-Y53 AromaticContact CE1-CE1 3.67Å; Y28-Y53 HydrophobicContact CE1-CE1 3.67Å; Y28-Y53 HydrophobicContact CE1-CE2 4.05Å; Y28-Y53 AromaticContact CE1-CG 3.52Å; Y28-Y53 HydrophobicContact CE1-CG 3.52Å; Y28-Y53 AromaticContact CE1-CZ 3.97Å; Y28-Y53 HydrophobicContact CE2-CD1 4.47Å; Y28-Y53 AromaticContact CE2-CE1 3.99Å; Y28-Y53 HydrophobicContact CE2-CE1 3.99Å; Y28-Y53 HydrophobicContact CG-CE1 4.48Å; Y28-Y53 HydrophobicContact CG-CE2 4.09Å; Y28-Y53 AromaticContact CZ-CD1 3.61Å; Y28-Y53 AromaticContact CZ-CE1 3.57Å; Y28-Q58 PolarHBondContact OH-OE1 3.12Å; Y28-V60 HydrophobicContact CE1-CG1 4.46Å; Y28-L98 HydrophobicContact CE1-CB 4.35Å; Y28-L98 HydrophobicContact CE1-CD1 4.19Å; Y28-A99 HydrophobicContact CG-CB 4.01Å; Y28-F101 WeakPolarHBondContact O-CD1 3.35Å; Y28-F101 WeakPolarHBondContact O-CE1 3.44Å; Y28-V110 HydrophobicContact CD1-CG1 4.12Å; Y28-V110 HydrophobicContact CE1-CG1 4.4Å
29A83.4Confident73.2Confident52 Ų5266.2 Ų66.243%0.4340%0.399SS..SBendtrans-84.414.2-161.200000117.5S26 A27 F101S26-A29 WeakPolarHBondContact O-CB 3.23Å; S26-A29 PolarHBondContact O-N 2.79Å; A27-A29 PolarHBondContact O-N 3.25Å; A29-F101 WeakPolarHBondContact O-CD2 3.45Å
30T90.8Very high75.7Confident38 Ų3867.3 Ų67.323%0.23339%0.391CS..SBendtrans-148.5140.5178.3171.90000112Y28 S32 N33 Y34Y28-T30 PolarHBondContact O-N 3.31Å; T30-S32 WeakPolarHBondContact CG2-OG 3.24Å; T30-S32 PolarHBondContact O-N 3.4Å; T30-S32 PolarHBondContact OG1-N 3.21Å; T30-S32 PolarHBondContact OG1-OG 3.11Å; T30-S32 VanDerWaalsContact OG1-OG 3.04Å; T30-N33 HydrophobicContact CG2-CB 4.32Å; T30-N33 VanDerWaalsContact CG2-ND2 3.3Å; T30-N33 WeakPolarHBondContact CG2-ND2 3.47Å; T30-N33 PolarHBondContact O-N 3.49Å; T30-N33 VanDerWaalsContact O-N 3.09Å; T30-Y34 WeakPolarHBondContact O-CD2 3.4Å; T30-Y34 WeakPolarHBondContact O-CE2 3.24Å
31L92.8Very high77.6Confident26 Ų2664.7 Ų64.714%0.13638%0.381CS..G310 helixtrans-58.5-25.9176.3-74.6172.9000112.3N33 Y34 M62 F101 E103 I108L31-N33 PolarHBondContact O-N 3.3Å; L31-N33 VanDerWaalsContact O-N 3.11Å; L31-Y34 PolarHBondContact O-N 3.47Å; L31-M62 HydrophobicContact CD2-CE 3.78Å; L31-M62 HydrophobicContact CD2-SD 3.53Å; L31-M62 VanDerWaalsContact CD2-SD 3.53Å; L31-F101 HydrophobicContact CD2-CE2 4.37Å; L31-F101 HydrophobicContact CD2-CZ 4.27Å; L31-F101 HydrophobicContact CG-CE2 4.01Å; L31-F101 HydrophobicContact CG-CZ 4.36Å; L31-E103 WeakPolarHBondContact CA-OE2 3.37Å; L31-E103 WeakPolarHBondContact CB-OE2 3.28Å; L31-E103 HydrophobicContact CD1-CB 4.39Å; L31-E103 HydrophobicContact CD1-CG 4.27Å; L31-E103 WeakPolarHBondContact CG-OE2 3.39Å; L31-E103 PolarHBondContact N-OE2 2.92Å; L31-I108 HydrophobicContact CD1-CD1 3.89Å; L31-I108 HydrophobicContact CD2-CD1 3.89Å; L31-I108 HydrophobicContact CD2-CG1 4.35Å; L31-I108 HydrophobicContact CG-CD1 3.8Å
32S94Very high79.5Confident84 Ų8468.1 Ų68.159%0.58739%0.394SS*.G310 helixtrans-61.3-19.9177.2650000113.3T30 Y34T30-S32 WeakPolarHBondContact CG2-OG 3.24Å; T30-S32 PolarHBondContact O-N 3.4Å; T30-S32 PolarHBondContact OG1-N 3.21Å; T30-S32 PolarHBondContact OG1-OG 3.11Å; T30-S32 VanDerWaalsContact OG1-OG 3.04Å; S32-Y34 VanDerWaalsContact C-N 3.25Å; S32-Y34 PolarHBondContact O-N 3.45Å
33N94.7Very high80.8Confident42 Ų4263.4 Ų63.423%0.22538%0.379CS..G310 helixtrans-87.86.4178.7-64.5-10.5000112.7A27 T30 L31 Y53 L54 P55A27-N33 PolarHBondContact O-ND2 3.18Å; T30-N33 HydrophobicContact CG2-CB 4.32Å; T30-N33 VanDerWaalsContact CG2-ND2 3.3Å; T30-N33 WeakPolarHBondContact CG2-ND2 3.47Å; T30-N33 PolarHBondContact O-N 3.49Å; T30-N33 VanDerWaalsContact O-N 3.09Å; L31-N33 PolarHBondContact O-N 3.3Å; L31-N33 VanDerWaalsContact O-N 3.11Å; N33-Y53 HydrophobicContact CB-CD2 4.28Å; N33-Y53 HydrophobicContact CB-CE2 3.9Å; N33-Y53 WeakPolarHBondContact O-CD2 3.34Å; N33-L54 WeakPolarHBondContact O-CB 3.3Å; N33-L54 PolarHBondContact O-N 3.47Å; N33-P55 HydrophobicContact CB-CG 4.33Å
34Y96.1Very high81.9Confident14 Ų1464 Ų646%0.05538%0.378CS..EExtended strand (participates in β ladder)trans-129137.2-178-54.1-95.9000112.2Y28 T30 L31 S32 A51 F52 Y53 V60 M62 F101 V110Y28-Y34 VanDerWaalsContact C-OH 3.32Å; Y28-Y34 VanDerWaalsContact CA-OH 3.26Å; Y28-Y34 WeakPolarHBondContact CA-OH 3.17Å; Y28-Y34 WeakPolarHBondContact CB-OH 3.49Å; Y28-Y34 AromaticContact CD1-CE1 3.99Å; Y28-Y34 HydrophobicContact CD1-CE1 3.99Å; Y28-Y34 AromaticContact CD1-CZ 3.9Å; Y28-Y34 WeakPolarHBondContact CD1-OH 3.07Å; Y28-Y34 WeakPolarHBondContact O-CE2 3.34Å; Y28-Y34 PolarHBondContact O-OH 3.39Å; T30-Y34 WeakPolarHBondContact O-CD2 3.4Å; T30-Y34 WeakPolarHBondContact O-CE2 3.24Å; L31-Y34 PolarHBondContact O-N 3.47Å; S32-Y34 VanDerWaalsContact C-N 3.25Å; S32-Y34 PolarHBondContact O-N 3.45Å; Y34-A51 HydrophobicContact CD1-CB 4.43Å; Y34-F52 CarbonylContact C-O 3.58Å; Y34-F52 VanDerWaalsContact CA-O 3.27Å; Y34-F52 WeakPolarHBondContact CA-O 3.41Å; Y34-Y53 AromaticContact CD1-CD2 3.92Å; Y34-Y53 HydrophobicContact CD1-CD2 3.92Å; Y34-Y53 HydrophobicContact CD1-CG 4.46Å; Y34-Y53 AromaticContact CE1-CD2 3.52Å; Y34-Y53 HydrophobicContact CE1-CD2 3.52Å; Y34-Y53 HydrophobicContact CE1-CE2 4.41Å; Y34-Y53 HydrophobicContact CE1-CG 4.13Å; Y34-Y53 HydrophobicContact CE2-CD2 4.44Å; Y34-Y53 AromaticContact CZ-CD2 3.83Å; Y34-V60 HydrophobicContact CD1-CG2 4.04Å; Y34-V60 HydrophobicContact CE1-CG2 4.03Å; Y34-M62 HydrophobicContact CD1-CE 3.64Å; Y34-M62 HydrophobicContact CD2-CE 3.68Å; Y34-M62 HydrophobicContact CE1-CE 4.1Å; Y34-M62 HydrophobicContact CE2-CE 4.14Å; Y34-M62 HydrophobicContact CG-CE 3.38Å; Y34-F101 HydrophobicContact CE2-CE1 4.05Å; Y34-F101 AromaticContact CE2-CZ 3.85Å; Y34-F101 HydrophobicContact CE2-CZ 3.85Å; Y34-V110 HydrophobicContact CE1-CG1 3.97Å; Y34-V110 HydrophobicContact CE1-CG2 4.22Å; Y34-V110 WeakPolarHBondContact OH-CG2 3.44Å
35E96.4Very high83Confident111 Ų11161.9 Ų61.952%0.51937%0.368SS..EExtended strand (participates in β ladder)trans-93.4105.1161.6-171.1-176140.500108.5A51 F52 L54E35-A51 CarbonylContact O-C 3.54Å; E35-A51 VanDerWaalsContact O-CA 3.28Å; E35-A51 WeakPolarHBondContact O-CA 3.39Å; E35-F52 HydrophobicContact CB-CB 4.27Å; E35-F52 PolarHBondContact N-O 2.84Å; E35-F52 PolarHBondContact O-N 2.97Å; E35-L54 HydrophobicContact CB-CD2 4.11Å
36V94.6Very high84.1Confident55 Ų5559.2 Ų59.233%0.33336%0.355SS..EExtended strand (participates in β ladder)trans-74.9126.6178.5-178.10000109.3W49 M62V36-W49 HydrophobicContact CG1-CB 3.87Å; V36-W49 HydrophobicContact CG1-CD2 3.8Å; V36-W49 HydrophobicContact CG1-CE3 3.55Å; V36-W49 HydrophobicContact CG1-CG 3.95Å; V36-W49 HydrophobicContact CG1-CZ3 4.34Å; V36-M62 HydrophobicContact CG2-SD 4.23Å
37Q92.7Very high85.3Confident82 Ų8256.8 Ų56.838%0.38334%0.337SS..EExtended strand (participates in β ladder)trans-100.2-128.1-179.6-58.2-176.1-42.600110Q50Q37-Q50 WeakPolarHBondContact CA-O 3.19Å; Q37-Q50 HydrophobicContact CB-CB 4.44Å; Q37-Q50 WeakPolarHBondContact CB-O 3.35Å; Q37-Q50 PolarHBondContact N-O 2.75Å
38G91.2Very high86.3Confident42 Ų4257 Ų5743%0.43334%0.335SS..EExtended strand (participates in β ladder)trans-85.3153.4-179.900000114.2I40 Q50G38-I40 PolarHBondContact O-N 3.43Å; G38-Q50 PolarHBondContact O-N 3.36Å
39S91.5Very high87Confident58 Ų5860 Ų6041%0.40635%0.346SS..EExtended strand (participates in β ladder)trans-68.5127165.5178.40000109.4T47S39-T47 WeakPolarHBondContact OG-CG2 3.49Å
40I87.9Confident87.6Confident83 Ų8360.6 Ų60.643%0.42634%0.34SS..EExtended strand (participates in β ladder)trans-107-9.2178.559.5174.6000112.6G38 V48 Q50 A61 L113G38-I40 PolarHBondContact O-N 3.43Å; I40-V48 HydrophobicContact CD1-CG1 3.78Å; I40-V48 HydrophobicContact CG1-CB 4.02Å; I40-V48 HydrophobicContact CG1-CG1 3.67Å; I40-V48 WeakPolarHBondContact CG1-O 3.38Å; I40-V48 PolarHBondContact N-O 2.77Å; I40-Q50 HydrophobicContact CG2-CB 3.87Å; I40-A61 HydrophobicContact CD1-CB 4.36Å; I40-L113 HydrophobicContact CD1-CD1 3.69Å
41G79.7Confident87.8Confident30 Ų3058.8 Ų58.831%0.30933%0.329SS..EExtended strand (participates in β ladder)trans-168.4142174.600000111.4V48G41-V48 PolarHBondContact N-O 2.74Å; G41-V48 PolarHBondContact O-N 3.21Å
42Q79.2Confident88Confident163 Ų16360.2 Ų60.276%0.76233%0.334SS*.EExtended strand (participates in β ladder)trans-133.4125.4179.9-171.2171.44.300109.9
43G68.6Low88.1Confident39 Ų3956.6 Ų56.640%0.40231%0.308SS..  trans-116.1-175.6170.200000111S46G43-S46 WeakPolarHBondContact CA-O 3.5Å; G43-S46 PolarHBondContact N-O 3.18Å
44Q67.4Low88.1Confident123 Ų12358.4 Ų58.458%0.57532%0.317SS*.SBendtrans-63.5-45.6-176.6-173.9177.54.700113S188Q44-S188 PolarHBondContact OE1-OG 3.44Å
45F72.2Confident87.9Confident59 Ų5961.6 Ų61.626%0.25934%0.34SS..SBendtrans-117.86.5-176.6-57.1-79.8000113.8K66 F186F45-K66 PolarHBondContact O-N 3.02Å; F45-F186 HydrophobicContact CB-CB 4.05Å; F45-F186 HydrophobicContact CB-CD1 4.03Å; F45-F186 HydrophobicContact CB-CG 4.42Å; F45-F186 HydrophobicContact CD2-CB 4.44Å; F45-F186 VanDerWaalsContact CD2-O 3.32Å; F45-F186 WeakPolarHBondContact CD2-O 3.42Å
46S81.3Confident87.6Confident17 Ų1759.2 Ų59.212%0.11934%0.336CS..EExtended strand (participates in β ladder)trans-146.1142.4-179.869.80000112.5G43 K63 K64G43-S46 WeakPolarHBondContact CA-O 3.5Å; G43-S46 PolarHBondContact N-O 3.18Å; S46-K63 WeakPolarHBondContact OG-CE 3.45Å; S46-K64 CarbonylContact C-O 3.45Å; S46-K64 WeakPolarHBondContact CA-O 3.48Å; S46-K64 WeakPolarHBondContact CB-O 3.49Å
47T88.4Confident87.5Confident30 Ų3060.7 Ų60.718%0.18435%0.347CS..EExtended strand (participates in β ladder)trans-122.7132.8171.5-520000108.8S39 W49 K64S39-T47 WeakPolarHBondContact OG-CG2 3.49Å; T47-W49 HydrophobicContact CG2-CZ2 4.12Å; T47-W49 VanDerWaalsContact CG2-NE1 3.31Å; T47-K64 PolarHBondContact N-O 3.31Å; T47-K64 PolarHBondContact O-N 2.94Å
48V90.1Very high87.5Confident34 Ų3459.7 Ų59.721%0.20634%0.342CS..EExtended strand (participates in β ladder)trans-99.9123.2175.2-169.20000108.1I40 G41 A61 M62 K63I40-V48 HydrophobicContact CD1-CG1 3.78Å; I40-V48 HydrophobicContact CG1-CB 4.02Å; I40-V48 HydrophobicContact CG1-CG1 3.67Å; I40-V48 WeakPolarHBondContact CG1-O 3.38Å; I40-V48 PolarHBondContact N-O 2.77Å; G41-V48 PolarHBondContact N-O 2.74Å; G41-V48 PolarHBondContact O-N 3.21Å; V48-A61 HydrophobicContact CG1-CB 4.25Å; V48-M62 WeakPolarHBondContact CA-O 3.36Å; V48-K63 HydrophobicContact CG2-CB 4.3Å; V48-K63 HydrophobicContact CG2-CD 4.25Å; V48-K63 HydrophobicContact CG2-CG 4.02Å
49W94.5Very high87.7Confident78 Ų7860.2 Ų60.230%0.29534%0.337SS..EExtended strand (participates in β ladder)trans-110.5143.2177.7-63.182.4000109.8V36 T47 M62V36-W49 HydrophobicContact CG1-CB 3.87Å; V36-W49 HydrophobicContact CG1-CD2 3.8Å; V36-W49 HydrophobicContact CG1-CE3 3.55Å; V36-W49 HydrophobicContact CG1-CG 3.95Å; V36-W49 HydrophobicContact CG1-CZ3 4.34Å; T47-W49 HydrophobicContact CG2-CZ2 4.12Å; T47-W49 VanDerWaalsContact CG2-NE1 3.31Å; W49-M62 HydrophobicContact CB-CB 4.44Å; W49-M62 PolarHBondContact N-O 3.01Å; W49-M62 PolarHBondContact O-N 3.16Å
50Q95.3Very high87.9Confident64 Ų6457.4 Ų57.430%0.29932%0.318SS..EExtended strand (participates in β ladder)trans-75.1135.5158-176.4173-36.800107.9Q37 G38 I40 T59 L113Q37-Q50 WeakPolarHBondContact CA-O 3.19Å; Q37-Q50 HydrophobicContact CB-CB 4.44Å; Q37-Q50 WeakPolarHBondContact CB-O 3.35Å; Q37-Q50 PolarHBondContact N-O 2.75Å; G38-Q50 PolarHBondContact O-N 3.36Å; I40-Q50 HydrophobicContact CG2-CB 3.87Å; Q50-T59 HydrophobicContact CG-CG2 3.64Å; Q50-L113 HydrophobicContact CG-CD2 4.04Å
51A96Very high88.2Confident0 Ų054 Ų540%030%0.302CS..EExtended strand (participates in β ladder)trans-141.1153.4176.100000110.6Y34 E35 T59 V60 M62Y34-A51 HydrophobicContact CD1-CB 4.43Å; E35-A51 CarbonylContact O-C 3.54Å; E35-A51 VanDerWaalsContact O-CA 3.28Å; E35-A51 WeakPolarHBondContact O-CA 3.39Å; A51-T59 WeakPolarHBondContact O-CA 3.36Å; A51-V60 HydrophobicContact CB-CG2 4.11Å; A51-V60 PolarHBondContact N-O 3.11Å; A51-V60 WeakPolarHBondContact O-CG2 3.18Å; A51-V60 PolarHBondContact O-N 3.22Å; A51-M62 HydrophobicContact CB-CB 4.35Å; A51-M62 HydrophobicContact CB-CE 4.14Å
52F95.7Very high88.8Confident56 Ų5652.5 Ų52.525%0.24629%0.287CS..EExtended strand (participates in β ladder)trans-101.9117.4172.7-162.9-111.8000108.9Y34 E35 L54 C57Y34-F52 CarbonylContact C-O 3.58Å; Y34-F52 VanDerWaalsContact CA-O 3.27Å; Y34-F52 WeakPolarHBondContact CA-O 3.41Å; E35-F52 HydrophobicContact CB-CB 4.27Å; E35-F52 PolarHBondContact N-O 2.84Å; E35-F52 PolarHBondContact O-N 2.97Å; F52-L54 HydrophobicContact CD1-CD2 4.36Å; F52-L54 PolarHBondContact O-N 3.07Å; F52-C57 HydrophobicContact CE1-CB 3.69Å; F52-C57 HydrophobicContact CE2-CB 4.26Å; F52-C57 WeakPolarHBondContact CE2-O 3.41Å; F52-C57 HydrophobicContact CZ-CB 3.34Å; F52-C57 VanDerWaalsContact CZ-O 3.23Å; F52-C57 WeakPolarHBondContact CZ-O 3.4Å
53Y96Very high89.4Confident8 Ų845.3 Ų45.33%0.03125%0.253CS..EExtended strand (participates in β ladder)trans-76.2107.4173.8179.1-122.1000108.9A27 Y28 N33 Y34 P55 S56 C57 Q58A27-Y53 WeakPolarHBondContact CB-OH 3.4Å; A27-Y53 WeakPolarHBondContact O-CE2 3.42Å; A27-Y53 PolarHBondContact O-OH 3.43Å; Y28-Y53 HydrophobicContact CD1-CD1 4.11Å; Y28-Y53 AromaticContact CD1-CD2 3.75Å; Y28-Y53 HydrophobicContact CD1-CD2 3.75Å; Y28-Y53 HydrophobicContact CD1-CE1 4.12Å; Y28-Y53 AromaticContact CD1-CE2 3.74Å; Y28-Y53 HydrophobicContact CD1-CE2 3.74Å; Y28-Y53 AromaticContact CD1-CG 3.95Å; Y28-Y53 HydrophobicContact CD1-CG 3.95Å; Y28-Y53 AromaticContact CD1-CZ 3.93Å; Y28-Y53 HydrophobicContact CD2-CE1 4.44Å; Y28-Y53 AromaticContact CE1-CD1 3.42Å; Y28-Y53 HydrophobicContact CE1-CD1 3.42Å; Y28-Y53 VanDerWaalsContact CE1-CD1 3.42Å; Y28-Y53 AromaticContact CE1-CD2 3.85Å; Y28-Y53 HydrophobicContact CE1-CD2 3.85Å; Y28-Y53 AromaticContact CE1-CE1 3.67Å; Y28-Y53 HydrophobicContact CE1-CE1 3.67Å; Y28-Y53 HydrophobicContact CE1-CE2 4.05Å; Y28-Y53 AromaticContact CE1-CG 3.52Å; Y28-Y53 HydrophobicContact CE1-CG 3.52Å; Y28-Y53 AromaticContact CE1-CZ 3.97Å; Y28-Y53 HydrophobicContact CE2-CD1 4.47Å; Y28-Y53 AromaticContact CE2-CE1 3.99Å; Y28-Y53 HydrophobicContact CE2-CE1 3.99Å; Y28-Y53 HydrophobicContact CG-CE1 4.48Å; Y28-Y53 HydrophobicContact CG-CE2 4.09Å; Y28-Y53 AromaticContact CZ-CD1 3.61Å; Y28-Y53 AromaticContact CZ-CE1 3.57Å; N33-Y53 HydrophobicContact CB-CD2 4.28Å; N33-Y53 HydrophobicContact CB-CE2 3.9Å; N33-Y53 WeakPolarHBondContact O-CD2 3.34Å; Y34-Y53 AromaticContact CD1-CD2 3.92Å; Y34-Y53 HydrophobicContact CD1-CD2 3.92Å; Y34-Y53 HydrophobicContact CD1-CG 4.46Å; Y34-Y53 AromaticContact CE1-CD2 3.52Å; Y34-Y53 HydrophobicContact CE1-CD2 3.52Å; Y34-Y53 HydrophobicContact CE1-CE2 4.41Å; Y34-Y53 HydrophobicContact CE1-CG 4.13Å; Y34-Y53 HydrophobicContact CE2-CD2 4.44Å; Y34-Y53 AromaticContact CZ-CD2 3.83Å; Y53-P55 HydrophobicContact CD2-CG 4.34Å; Y53-P55 HydrophobicContact CE1-CB 3.95Å; Y53-P55 HydrophobicContact CE1-CG 4.09Å; Y53-P55 HydrophobicContact CE2-CB 4.45Å; Y53-P55 VanDerWaalsContact CE2-CD 3.46Å; Y53-P55 HydrophobicContact CE2-CG 3.69Å; Y53-S56 VanDerWaalsContact CD1-OG 3.27Å; Y53-S56 WeakPolarHBondContact CD1-OG 3.43Å; Y53-S56 PolarHBondContact O-N 3.02Å; Y53-C57 WeakPolarHBondContact O-CA 3.33Å; Y53-C57 PolarHBondContact O-N 3.27Å; Y53-Q58 WeakPolarHBondContact CB-O 3.38Å; Y53-Q58 PolarHBondContact N-O 2.82Å; Y53-Q58 PolarHBondContact O-N 3.34Å
54L94.7Very high90.5Very high80 Ų8045.1 Ų45.142%0.41924%0.241SC..G310 helixtrans-59.1-43.5-169.1-62.8171.4000113.5N33 E35 F52 S56N33-L54 WeakPolarHBondContact O-CB 3.3Å; N33-L54 PolarHBondContact O-N 3.47Å; E35-L54 HydrophobicContact CB-CD2 4.11Å; F52-L54 HydrophobicContact CD1-CD2 4.36Å; F52-L54 PolarHBondContact O-N 3.07Å; L54-S56 VanDerWaalsContact C-N 3.34Å; L54-S56 PolarHBondContact O-N 3.09Å
55P92.8Very high91.4Very high82 Ų8239.3 Ų39.353%0.53221%0.214SC..G310 helixtrans-61.8-35.7-175.9-27.438.1000114.7N33 Y53N33-P55 HydrophobicContact CB-CG 4.33Å; Y53-P55 HydrophobicContact CD2-CG 4.34Å; Y53-P55 HydrophobicContact CE1-CB 3.95Å; Y53-P55 HydrophobicContact CE1-CG 4.09Å; Y53-P55 HydrophobicContact CE2-CB 4.45Å; Y53-P55 VanDerWaalsContact CE2-CD 3.46Å; Y53-P55 HydrophobicContact CE2-CG 3.69Å
56S90.7Very high91.9Very high61 Ų6140.5 Ų40.543%0.42722%0.219SC..G310 helixtrans-114.15.5-177.8800000113.8Y53 L54 Q58Y53-S56 VanDerWaalsContact CD1-OG 3.27Å; Y53-S56 WeakPolarHBondContact CD1-OG 3.43Å; Y53-S56 PolarHBondContact O-N 3.02Å; L54-S56 VanDerWaalsContact C-N 3.34Å; L54-S56 PolarHBondContact O-N 3.09Å; S56-Q58 PolarHBondContact O-N 2.94Å; S56-Q58 VanDerWaalsContact OG-CB 3.31Å; S56-Q58 WeakPolarHBondContact OG-CB 3.35Å
57C91.2Very high91.7Very high85 Ų8540 Ų4057%0.57422%0.215SC*.THydrogen-bonded Turntrans52.536.4-176.2-70.50000113.5F52 Y53F52-C57 HydrophobicContact CE1-CB 3.69Å; F52-C57 HydrophobicContact CE2-CB 4.26Å; F52-C57 WeakPolarHBondContact CE2-O 3.41Å; F52-C57 HydrophobicContact CZ-CB 3.34Å; F52-C57 VanDerWaalsContact CZ-O 3.23Å; F52-C57 WeakPolarHBondContact CZ-O 3.4Å; Y53-C57 WeakPolarHBondContact O-CA 3.33Å; Y53-C57 PolarHBondContact O-N 3.27Å
58Q93.5Very high91Very high61 Ų6143.1 Ų43.129%0.28523%0.226SC..EExtended strand (participates in β ladder)trans-102130.9-177-178.6178.9-2.800110.8Y28 Y53 S56 V60Y28-Q58 PolarHBondContact OH-OE1 3.12Å; Y53-Q58 WeakPolarHBondContact CB-O 3.38Å; Y53-Q58 PolarHBondContact N-O 2.82Å; Y53-Q58 PolarHBondContact O-N 3.34Å; S56-Q58 PolarHBondContact O-N 2.94Å; S56-Q58 VanDerWaalsContact OG-CB 3.31Å; S56-Q58 WeakPolarHBondContact OG-CB 3.35Å; Q58-V60 HydrophobicContact CG-CG1 4.26Å
59T94.8Very high90.4Very high53 Ų5346.9 Ų46.933%0.32524%0.241SC..EExtended strand (participates in β ladder)trans-75.5131.8170-43.20000110.9Q50 A51 L113Q50-T59 HydrophobicContact CG-CG2 3.64Å; A51-T59 WeakPolarHBondContact O-CA 3.36Å; T59-L113 HydrophobicContact CG2-CD2 3.46Å; T59-L113 VanDerWaalsContact CG2-CD2 3.46Å
60V95.3Very high89.1Confident0 Ų044.2 Ų44.20%023%0.233CC..EExtended strand (participates in β ladder)trans-132.5160.2-177-62.10000111.3Y28 Y34 A51 Q58 L98 V110Y28-V60 HydrophobicContact CE1-CG1 4.46Å; Y34-V60 HydrophobicContact CD1-CG2 4.04Å; Y34-V60 HydrophobicContact CE1-CG2 4.03Å; A51-V60 HydrophobicContact CB-CG2 4.11Å; A51-V60 PolarHBondContact N-O 3.11Å; A51-V60 WeakPolarHBondContact O-CG2 3.18Å; A51-V60 PolarHBondContact O-N 3.22Å; Q58-V60 HydrophobicContact CG-CG1 4.26Å; V60-L98 HydrophobicContact CB-CD1 4.37Å; V60-L98 HydrophobicContact CG1-CD1 3.57Å; V60-V110 HydrophobicContact CB-CG1 3.84Å; V60-V110 HydrophobicContact CG1-CG1 4.15Å; V60-V110 HydrophobicContact CG2-CG1 3.8Å
61A94.1Very high87.8Confident10 Ų1048.1 Ų48.18%0.08326%0.26CS..EExtended strand (participates in β ladder)trans-97.1122.9167.400000109.2I40 V48 L111 L113I40-A61 HydrophobicContact CD1-CB 4.36Å; V48-A61 HydrophobicContact CG1-CB 4.25Å; A61-L111 HydrophobicContact CB-CB 4.34Å; A61-L111 PolarHBondContact N-O 3.11Å; A61-L111 PolarHBondContact O-N 2.74Å; A61-L113 HydrophobicContact CB-CD1 3.95Å
62M93.9Very high86.8Confident0 Ų051.5 Ų51.50%028%0.278CS..EExtended strand (participates in β ladder)trans-110.2105.1-179.7-176.4-175.7-72.100109.8L31 Y34 V36 V48 W49 A51 K64 I108 I109L31-M62 HydrophobicContact CD2-CE 3.78Å; L31-M62 HydrophobicContact CD2-SD 3.53Å; L31-M62 VanDerWaalsContact CD2-SD 3.53Å; Y34-M62 HydrophobicContact CD1-CE 3.64Å; Y34-M62 HydrophobicContact CD2-CE 3.68Å; Y34-M62 HydrophobicContact CE1-CE 4.1Å; Y34-M62 HydrophobicContact CE2-CE 4.14Å; Y34-M62 HydrophobicContact CG-CE 3.38Å; V36-M62 HydrophobicContact CG2-SD 4.23Å; V48-M62 WeakPolarHBondContact CA-O 3.36Å; W49-M62 HydrophobicContact CB-CB 4.44Å; W49-M62 PolarHBondContact N-O 3.01Å; W49-M62 PolarHBondContact O-N 3.16Å; A51-M62 HydrophobicContact CB-CB 4.35Å; A51-M62 HydrophobicContact CB-CE 4.14Å; M62-K64 HydrophobicContact CG-CG 4.26Å; M62-K64 WeakPolarHBondContact SD-CE 3.18Å; M62-K64 HydrophobicContact SD-CG 4.36Å; M62-I108 HydrophobicContact CE-CG2 4.32Å; M62-I108 HydrophobicContact CG-CG2 3.5Å; M62-I108 VanDerWaalsContact CG-CG2 3.5Å; M62-I108 HydrophobicContact SD-CG2 3.88Å; M62-I109 CarbonylContact C-O 3.6Å; M62-I109 WeakPolarHBondContact CA-O 3.27Å
63K91.2Very high85.9Confident12 Ų1251.8 Ų51.85%0.05229%0.291CS..EExtended strand (participates in β ladder)trans-89.3109.2174.9-169.9167-169.9174.90109.1S46 V48 I65 I109 D179 L182S46-K63 WeakPolarHBondContact OG-CE 3.45Å; V48-K63 HydrophobicContact CG2-CB 4.3Å; V48-K63 HydrophobicContact CG2-CD 4.25Å; V48-K63 HydrophobicContact CG2-CG 4.02Å; K63-I65 HydrophobicContact CG-CD1 4.39Å; K63-I65 HydrophobicContact CG-CG1 4.18Å; K63-I109 HydrophobicContact CB-CB 4.44Å; K63-I109 PolarHBondContact N-O 3.19Å; K63-I109 PolarHBondContact O-N 3.15Å; K63-D179 IonicContact NZ-OD1 3.92Å; K63-D179 PolarHBondContact NZ-OD1 3.33Å; K63-L182 HydrophobicContact CD-CD1 4.47Å
64K91Very high85.1Confident35 Ų3558.5 Ų58.515%0.15232%0.32CS..EExtended strand (participates in β ladder)trans-92.7130174.5-60.7-171.6177.4-171.60109.4S46 T47 M62 I108S46-K64 CarbonylContact C-O 3.45Å; S46-K64 WeakPolarHBondContact CA-O 3.48Å; S46-K64 WeakPolarHBondContact CB-O 3.49Å; T47-K64 PolarHBondContact N-O 3.31Å; T47-K64 PolarHBondContact O-N 2.94Å; M62-K64 HydrophobicContact CG-CG 4.26Å; M62-K64 WeakPolarHBondContact SD-CE 3.18Å; M62-K64 HydrophobicContact SD-CG 4.36Å; K64-I108 HydrophobicContact CG-CG1 4.25Å
65I85.7Confident84.1Confident0 Ų055.5 Ų55.50%031%0.307CS..EExtended strand (participates in β ladder)trans-129.9128.6-173.8-62.1163.9000108.4K63 I67 E106 L107 I109 L182 F186K63-I65 HydrophobicContact CG-CD1 4.39Å; K63-I65 HydrophobicContact CG-CG1 4.18Å; I65-I67 VanDerWaalsContact C-N 3.29Å; I65-I67 HydrophobicContact CB-CG2 4.19Å; I65-I67 HydrophobicContact CG2-CG2 3.56Å; I65-I67 PolarHBondContact O-N 3.4Å; I65-E106 CarbonylContact O-C 3.51Å; I65-E106 VanDerWaalsContact O-CA 3.27Å; I65-E106 WeakPolarHBondContact O-CA 3.35Å; I65-L107 HydrophobicContact CB-CB 4.21Å; I65-L107 HydrophobicContact CB-CD2 4.42Å; I65-L107 HydrophobicContact CD1-CD2 3.83Å; I65-L107 HydrophobicContact CD1-CG 4.4Å; I65-L107 PolarHBondContact N-O 2.67Å; I65-L107 PolarHBondContact O-N 3.33Å; I65-I109 HydrophobicContact CD1-CD1 3.69Å; I65-I109 HydrophobicContact CD1-CG1 4.32Å; I65-L182 HydrophobicContact CD1-CD1 4.48Å; I65-F186 HydrophobicContact CB-CE1 4.5Å; I65-F186 HydrophobicContact CB-CZ 4.33Å; I65-F186 HydrophobicContact CD1-CD2 4.36Å; I65-F186 HydrophobicContact CD1-CE2 3.61Å; I65-F186 HydrophobicContact CD1-CZ 3.83Å; I65-F186 HydrophobicContact CG1-CE2 4.21Å; I65-F186 HydrophobicContact CG1-CZ 4.29Å; I65-F186 HydrophobicContact CG2-CD1 3.72Å; I65-F186 HydrophobicContact CG2-CD2 4.43Å; I65-F186 HydrophobicContact CG2-CE1 3.1Å; I65-F186 HydrophobicContact CG2-CE2 3.92Å; I65-F186 HydrophobicContact CG2-CG 4.36Å; I65-F186 HydrophobicContact CG2-CZ 3.22Å
66K84.1Confident83.3Confident85 Ų8554.9 Ų54.937%0.3729%0.294SS..  trans-82.968-179.4-57-167.8177.5-1730112.5F45 F68 E69F45-K66 PolarHBondContact O-N 3.02Å; K66-F68 PolarHBondContact O-N 3.12Å; K66-F68 VanDerWaalsContact O-N 3.16Å; K66-E69 HydrophobicContact CB-CB 4.28Å; K66-E69 HydrophobicContact CB-CG 4.11Å; K66-E69 HydrophobicContact CD-CG 4.37Å; K66-E69 WeakPolarHBondContact CD-OE1 3.37Å; K66-E69 VanDerWaalsContact CD-OE2 3.24Å; K66-E69 WeakPolarHBondContact CD-OE2 3.4Å; K66-E69 IonicContact NZ-OE1 3.05Å; K66-E69 PolarHBondContact NZ-OE1 3.29Å; K66-E69 IonicContact NZ-OE2 3.68Å; K66-E69 PolarHBondContact O-N 3.28Å; K66-E69 VanDerWaalsContact O-N 3.15Å
67I75.8Confident82.7Confident5 Ų556.6 Ų56.63%0.02630%0.296CS..THydrogen-bonded Turntrans-66.3-20.8-170.971.3163.6000114.1I65 M70 R76 V102 L107I65-I67 VanDerWaalsContact C-N 3.29Å; I65-I67 HydrophobicContact CB-CG2 4.19Å; I65-I67 HydrophobicContact CG2-CG2 3.56Å; I65-I67 PolarHBondContact O-N 3.4Å; I67-M70 HydrophobicContact CB-SD 4.49Å; I67-M70 WeakPolarHBondContact O-CB 3.48Å; I67-M70 PolarHBondContact O-N 2.8Å; I67-R76 HydrophobicContact CD1-CG 4.5Å; I67-V102 HydrophobicContact CD1-CG2 4.33Å; I67-L107 HydrophobicContact CB-CB 4.39Å; I67-L107 HydrophobicContact CD1-CB 4.26Å; I67-L107 HydrophobicContact CG1-CB 4.29Å; I67-L107 HydrophobicContact CG2-CB 3.28Å; I67-L107 HydrophobicContact CG2-CD2 3.75Å; I67-L107 HydrophobicContact CG2-CG 4.2Å
68F75.2Confident82.1Confident97 Ų9754.7 Ų54.743%0.42528%0.28SS..THydrogen-bonded Turntrans-86.8-15.1-180-64.5-86.8000112.8K66 V102 N105K66-F68 PolarHBondContact O-N 3.12Å; K66-F68 VanDerWaalsContact O-N 3.16Å; F68-V102 HydrophobicContact CE2-CG1 3.73Å; F68-V102 HydrophobicContact CZ-CG1 4.08Å; F68-N105 HydrophobicContact CB-CB 4.47Å; F68-N105 HydrophobicContact CD2-CB 3.74Å; F68-N105 VanDerWaalsContact CD2-O 3.26Å; F68-N105 WeakPolarHBondContact CD2-O 3.18Å; F68-N105 HydrophobicContact CE2-CB 4.27Å; F68-N105 HydrophobicContact CG-CB 4.3Å
69E76Confident81.4Confident113 Ų11351.8 Ų51.853%0.52827%0.266SS..SBendtrans-76.6-11.5166.6-63.5-176.7-175.700111.4K66 V71K66-E69 HydrophobicContact CB-CB 4.28Å; K66-E69 HydrophobicContact CB-CG 4.11Å; K66-E69 HydrophobicContact CD-CG 4.37Å; K66-E69 WeakPolarHBondContact CD-OE1 3.37Å; K66-E69 VanDerWaalsContact CD-OE2 3.24Å; K66-E69 WeakPolarHBondContact CD-OE2 3.4Å; K66-E69 IonicContact NZ-OE1 3.05Å; K66-E69 PolarHBondContact NZ-OE1 3.29Å; K66-E69 IonicContact NZ-OE2 3.68Å; K66-E69 PolarHBondContact O-N 3.28Å; K66-E69 VanDerWaalsContact O-N 3.15Å; E69-V71 PolarHBondContact O-N 3.23Å
70M68.1Low80.6Confident22 Ų2252.3 Ų52.311%0.10827%0.266CS..  trans-72.7108.3171.2-58.4178.674.200110.1I67 D72 A75 F186I67-M70 HydrophobicContact CB-SD 4.49Å; I67-M70 WeakPolarHBondContact O-CB 3.48Å; I67-M70 PolarHBondContact O-N 2.8Å; M70-D72 VanDerWaalsContact C-N 3.27Å; M70-D72 PolarHBondContact O-N 3.14Å; M70-A75 HydrophobicContact CE-CB 3.68Å; M70-F186 HydrophobicContact CE-CE1 4.3Å; M70-F186 HydrophobicContact SD-CD1 4.4Å; M70-F186 HydrophobicContact SD-CE1 3.67Å
71V67.4Low79.9Confident145 Ų14557.9 Ų57.988%0.87929%0.291SS*.  trans-63.8-34.7178.7-173.60000111.7E69 A73E69-V71 PolarHBondContact O-N 3.23Å; V71-A73 PolarHBondContact O-N 3.44Å
72D74.8Confident79.2Confident71 Ų7158 Ų5838%0.3829%0.289SS..  trans-81.8105-175.9-176.4-11.2000111.4M70 K74 A75 R76 K189M70-D72 VanDerWaalsContact C-N 3.27Å; M70-D72 PolarHBondContact O-N 3.14Å; D72-K74 PolarHBondContact O-N 3.26Å; D72-K74 WeakPolarHBondContact OD1-CA 3.45Å; D72-K74 VanDerWaalsContact OD1-CB 3.27Å; D72-K74 WeakPolarHBondContact OD1-CB 3.2Å; D72-K74 PolarHBondContact OD1-N 3.5Å; D72-A75 HydrophobicContact CB-CB 3.76Å; D72-A75 WeakPolarHBondContact O-CB 3.38Å; D72-A75 PolarHBondContact O-N 2.83Å; D72-A75 VanDerWaalsContact O-N 3.14Å; D72-A75 PolarHBondContact OD1-N 3.33Å; D72-A75 VanDerWaalsContact OD1-N 3.16Å; D72-R76 PolarHBondContact O-N 3.44Å; D72-K189 IonicContact OD2-NZ 3.92Å
73A77.4Confident78.7Confident62 Ų6258.1 Ų58.151%0.51229%0.29SS..Hα-helixtrans-59.8-32.217800000113.1V71 R76 Q77V71-A73 PolarHBondContact O-N 3.44Å; A73-R76 PolarHBondContact O-N 2.93Å; A73-Q77 PolarHBondContact O-N 3.14Å
74K79.4Confident78.4Confident149 Ų14961 Ų6165%0.64831%0.306SS*.Hα-helixtrans-69-44.3175.6-177.1177.7179.3175.90110.4D72 R76 Q77 D78D72-K74 PolarHBondContact O-N 3.26Å; D72-K74 WeakPolarHBondContact OD1-CA 3.45Å; D72-K74 VanDerWaalsContact OD1-CB 3.27Å; D72-K74 WeakPolarHBondContact OD1-CB 3.2Å; D72-K74 PolarHBondContact OD1-N 3.5Å; K74-R76 VanDerWaalsContact C-N 3.29Å; K74-R76 PolarHBondContact O-N 3.11Å; K74-Q77 PolarHBondContact O-N 2.84Å; K74-Q77 VanDerWaalsContact O-N 3.15Å; K74-D78 WeakPolarHBondContact O-CB 3.36Å; K74-D78 PolarHBondContact O-N 2.55Å
75A73.6Confident78.1Confident18 Ų1861.7 Ų61.715%0.14931%0.311CS..Hα-helixtrans-60.3-39.2176.300000112.2M70 D72 C79M70-A75 HydrophobicContact CE-CB 3.68Å; D72-A75 HydrophobicContact CB-CB 3.76Å; D72-A75 WeakPolarHBondContact O-CB 3.38Å; D72-A75 PolarHBondContact O-N 2.83Å; D72-A75 VanDerWaalsContact O-N 3.14Å; D72-A75 PolarHBondContact OD1-N 3.33Å; D72-A75 VanDerWaalsContact OD1-N 3.16Å; A75-C79 WeakPolarHBondContact O-CB 3.48Å; A75-C79 PolarHBondContact O-N 3.09Å
76R75.7Confident78.2Confident68 Ų6861.9 Ų61.926%0.25731%0.312SS..Hα-helixtrans-63.1-45.3172.9174.5167.846.2-144.7-10.4112.1I67 D72 A73 K74 C79 I80I67-R76 HydrophobicContact CD1-CG 4.5Å; D72-R76 PolarHBondContact O-N 3.44Å; A73-R76 PolarHBondContact O-N 2.93Å; K74-R76 VanDerWaalsContact C-N 3.29Å; K74-R76 PolarHBondContact O-N 3.11Å; R76-C79 WeakPolarHBondContact O-CB 3.35Å; R76-C79 PolarHBondContact O-N 3.3Å; R76-I80 HydrophobicContact CG-CD1 4.37Å; R76-I80 WeakPolarHBondContact O-CG1 3.36Å; R76-I80 PolarHBondContact O-N 2.94Å; R76-I80 VanDerWaalsContact O-N 3.09Å
77Q79.7Confident78.4Confident98 Ų9862.8 Ų62.846%0.45832%0.316SS..Hα-helixtrans-64.8-41.1178-170.363.839.200112.3A73 K74 C79 I80 K81A73-Q77 PolarHBondContact O-N 3.14Å; K74-Q77 PolarHBondContact O-N 2.84Å; K74-Q77 VanDerWaalsContact O-N 3.15Å; Q77-C79 VanDerWaalsContact C-N 3.32Å; Q77-I80 PolarHBondContact O-N 2.97Å; Q77-K81 WeakPolarHBondContact O-CG 3.49Å; Q77-K81 PolarHBondContact O-N 3.26Å
78D78.2Confident79.1Confident44 Ų4470 Ų7024%0.23534%0.343CS..Hα-helixtrans-66.2-36.7177.4-71.4-17.9000111.2K74 K81 E82 Y185K74-D78 WeakPolarHBondContact O-CB 3.36Å; K74-D78 PolarHBondContact O-N 2.55Å; D78-K81 PolarHBondContact O-N 3.47Å; D78-E82 PolarHBondContact O-N 2.89Å; D78-Y185 HydrophobicContact CB-CE1 3.6Å; D78-Y185 PolarHBondContact O-OH 3.17Å
79C77.4Confident79.9Confident1 Ų165.7 Ų65.71%0.00732%0.324CS..Hα-helixtrans-59.8-47.5171.5-179.60000112A75 R76 Q77 K81 E82 I83 Y185 F186A75-C79 WeakPolarHBondContact O-CB 3.48Å; A75-C79 PolarHBondContact O-N 3.09Å; R76-C79 WeakPolarHBondContact O-CB 3.35Å; R76-C79 PolarHBondContact O-N 3.3Å; Q77-C79 VanDerWaalsContact C-N 3.32Å; C79-K81 PolarHBondContact O-N 3.32Å; C79-E82 PolarHBondContact O-N 3.29Å; C79-I83 WeakPolarHBondContact O-CD1 3.08Å; C79-I83 WeakPolarHBondContact O-CG1 3.31Å; C79-I83 PolarHBondContact O-N 3.22Å; C79-I83 VanDerWaalsContact O-N 3.1Å; C79-Y185 HydrophobicContact CB-CD1 4.28Å; C79-Y185 HydrophobicContact CB-CD2 4.1Å; C79-Y185 HydrophobicContact CB-CE2 4.4Å; C79-Y185 HydrophobicContact CB-CG 4.03Å; C79-F186 WeakPolarHBondContact SG-CZ 3.47Å
80I78.9Confident80.8Confident64 Ų6464.6 Ų64.633%0.32832%0.322SS..Hα-helixtrans-61.4-45.3179.2-66.8168000110.6R76 Q77 E82 I83 D84R76-I80 HydrophobicContact CG-CD1 4.37Å; R76-I80 WeakPolarHBondContact O-CG1 3.36Å; R76-I80 PolarHBondContact O-N 2.94Å; R76-I80 VanDerWaalsContact O-N 3.09Å; Q77-I80 PolarHBondContact O-N 2.97Å; I80-E82 VanDerWaalsContact C-N 3.26Å; I80-E82 PolarHBondContact O-N 3.08Å; I80-I83 WeakPolarHBondContact O-CB 3.08Å; I80-I83 PolarHBondContact O-N 3.24Å; I80-D84 PolarHBondContact O-N 3.29Å; I80-D84 VanDerWaalsContact O-N 3.15Å
81K80.2Confident82.2Confident116 Ų11665.3 Ų65.350%0.50433%0.325SS..Hα-helixtrans-58.9-38.3176.2-73.7175.5-179.5172.10112.5Q77 D78 C79 D84 L85Q77-K81 WeakPolarHBondContact O-CG 3.49Å; Q77-K81 PolarHBondContact O-N 3.26Å; D78-K81 PolarHBondContact O-N 3.47Å; C79-K81 PolarHBondContact O-N 3.32Å; K81-D84 PolarHBondContact O-N 3.01Å; K81-L85 PolarHBondContact O-N 3.37Å
82E79.1Confident83.5Confident12 Ų1262.7 Ų62.76%0.05631%0.311CS..Hα-helixtrans-70.7-34.4179.9-163.1164.2139.700112.1D78 C79 I80 D84 L85 L86 R160 R184 Y185D78-E82 PolarHBondContact O-N 2.89Å; C79-E82 PolarHBondContact O-N 3.29Å; I80-E82 VanDerWaalsContact C-N 3.26Å; I80-E82 PolarHBondContact O-N 3.08Å; E82-D84 VanDerWaalsContact C-N 3.29Å; E82-D84 PolarHBondContact O-N 2.93Å; E82-L85 WeakPolarHBondContact O-CA 3.36Å; E82-L85 WeakPolarHBondContact O-CB 3.41Å; E82-L85 PolarHBondContact O-N 2.85Å; E82-L85 VanDerWaalsContact O-N 3.07Å; E82-L86 WeakPolarHBondContact O-CG 3.29Å; E82-L86 PolarHBondContact O-N 2.97Å; E82-R160 IonicContact OE1-CZ 3.36Å; E82-R160 IonicContact OE1-NH1 2.66Å; E82-R160 PolarHBondContact OE1-NH1 2.96Å; E82-R160 IonicContact OE1-NH2 3.55Å; E82-R160 IonicContact OE2-CZ 3.32Å; E82-R160 VanDerWaalsContact OE2-CZ 3.32Å; E82-R160 IonicContact OE2-NH1 2.82Å; E82-R160 PolarHBondContact OE2-NH1 3.37Å; E82-R160 IonicContact OE2-NH2 2.88Å; E82-R160 PolarHBondContact OE2-NH2 3.45Å; E82-R184 IonicContact OE2-NE 3.78Å; E82-Y185 HydrophobicContact CB-CE2 3.98Å; E82-Y185 HydrophobicContact CG-CE2 4.37Å; E82-Y185 WeakPolarHBondContact OE2-CE2 3.27Å; E82-Y185 VanDerWaalsContact OE2-CZ 3.27Å; E82-Y185 PolarHBondContact OE2-OH 3.11Å
83I83.6Confident84.6Confident4 Ų460.1 Ų60.12%0.02130%0.297CS..Hα-helixtrans-62.5-39.2172.7-64.3159.4000110.9C79 I80 L85 L86 K87 Y97 S100 L107 I109 L182C79-I83 WeakPolarHBondContact O-CD1 3.08Å; C79-I83 WeakPolarHBondContact O-CG1 3.31Å; C79-I83 PolarHBondContact O-N 3.22Å; C79-I83 VanDerWaalsContact O-N 3.1Å; I80-I83 WeakPolarHBondContact O-CB 3.08Å; I80-I83 PolarHBondContact O-N 3.24Å; I83-L85 PolarHBondContact O-N 3.16Å; I83-L86 WeakPolarHBondContact O-CB 3.26Å; I83-L86 PolarHBondContact O-N 3.3Å; I83-L86 VanDerWaalsContact O-N 3.09Å; I83-K87 WeakPolarHBondContact O-CG 3.4Å; I83-K87 PolarHBondContact O-N 3.14Å; I83-Y97 HydrophobicContact CG2-CE2 4.14Å; I83-S100 WeakPolarHBondContact CG2-OG 3.38Å; I83-L107 HydrophobicContact CD1-CD1 3.89Å; I83-L107 HydrophobicContact CD1-CD2 3.18Å; I83-L107 HydrophobicContact CD1-CG 4.08Å; I83-L107 HydrophobicContact CG1-CD2 4.48Å; I83-I109 HydrophobicContact CD1-CD1 4.12Å; I83-I109 HydrophobicContact CG1-CD1 4.03Å; I83-L182 HydrophobicContact CG1-CD2 4.1Å
84D84.9Confident85.5Confident71 Ų7157.2 Ų57.238%0.3827%0.273SS..Hα-helixtrans-64.1-27.9174.8-72.6-27.2000113.1I80 K81 E82 K87I80-D84 PolarHBondContact O-N 3.29Å; I80-D84 VanDerWaalsContact O-N 3.15Å; K81-D84 PolarHBondContact O-N 3.01Å; E82-D84 VanDerWaalsContact C-N 3.29Å; E82-D84 PolarHBondContact O-N 2.93Å; D84-K87 IonicContact OD1-NZ 2.87Å; D84-K87 PolarHBondContact OD1-NZ 3.14Å
85L85.9Confident86.2Confident50 Ų5050.4 Ų50.426%0.26224%0.244SC..Hα-helixtrans-74-42.8169.7-63.6176.6000111.2K81 E82 I83 K87 R88 I157K81-L85 PolarHBondContact O-N 3.37Å; E82-L85 WeakPolarHBondContact O-CA 3.36Å; E82-L85 WeakPolarHBondContact O-CB 3.41Å; E82-L85 PolarHBondContact O-N 2.85Å; E82-L85 VanDerWaalsContact O-N 3.07Å; I83-L85 PolarHBondContact O-N 3.16Å; L85-K87 PolarHBondContact O-N 3Å; L85-R88 VanDerWaalsContact O-CB 3.25Å; L85-R88 WeakPolarHBondContact O-CB 3.27Å; L85-R88 PolarHBondContact O-N 3.34Å; L85-I157 HydrophobicContact CB-CD1 3.8Å; L85-I157 HydrophobicContact CB-CG1 3.78Å; L85-I157 HydrophobicContact CD1-CG1 4.47Å; L85-I157 WeakPolarHBondContact O-CD1 3.43Å
86L86.8Confident87.1Confident4 Ų454 Ų542%0.02125%0.253CS..Hα-helixtrans-57.2-34.6178-68.3176.6000112.5E82 I83 R88 L89 Y97 I157 L180 L182E82-L86 WeakPolarHBondContact O-CG 3.29Å; E82-L86 PolarHBondContact O-N 2.97Å; I83-L86 WeakPolarHBondContact O-CB 3.26Å; I83-L86 PolarHBondContact O-N 3.3Å; I83-L86 VanDerWaalsContact O-N 3.09Å; L86-R88 PolarHBondContact O-N 3.28Å; L86-R88 VanDerWaalsContact O-N 3.08Å; L86-L89 HydrophobicContact CD2-CD1 3.74Å; L86-L89 WeakPolarHBondContact O-CB 3.2Å; L86-L89 PolarHBondContact O-N 3.3Å; L86-Y97 HydrophobicContact CB-CD2 4.28Å; L86-I157 HydrophobicContact CD2-CG2 4.23Å; L86-L180 HydrophobicContact CD2-CB 3.67Å; L86-L180 HydrophobicContact CD2-CD1 4.28Å; L86-L182 HydrophobicContact CD1-CD1 4.02Å; L86-L182 HydrophobicContact CD1-CD2 3.97Å; L86-L182 HydrophobicContact CD1-CG 3.88Å
87K88.9Confident87.9Confident105 Ų10551.8 Ų51.846%0.45725%0.245SC..THydrogen-bonded Turntrans-55.3-23.8172.7-71.1173.3-171.6165.10113.8I83 D84 L85 L89 Y97I83-K87 WeakPolarHBondContact O-CG 3.4Å; I83-K87 PolarHBondContact O-N 3.14Å; D84-K87 IonicContact OD1-NZ 2.87Å; D84-K87 PolarHBondContact OD1-NZ 3.14Å; L85-K87 PolarHBondContact O-N 3Å; K87-L89 VanDerWaalsContact C-N 3.32Å; K87-Y97 HydrophobicContact CB-CE1 4.38Å; K87-Y97 HydrophobicContact CD-CE1 4.46Å; K87-Y97 WeakPolarHBondContact CE-OH 3.47Å; K87-Y97 HydrophobicContact CG-CD1 4.06Å; K87-Y97 HydrophobicContact CG-CE1 3.48Å; K87-Y97 VanDerWaalsContact CG-CE1 3.48Å; K87-Y97 HydrophobicContact CG-CE2 4.23Å
88R89.8Confident88.4Confident157 Ų15748 Ų4859%0.59223%0.228SC*.THydrogen-bonded Turntrans-85.2-5.9-178.6-53.1177.2-177.3-167.6-3.6113L85 L86 D90L85-R88 VanDerWaalsContact O-CB 3.25Å; L85-R88 WeakPolarHBondContact O-CB 3.27Å; L85-R88 PolarHBondContact O-N 3.34Å; L86-R88 PolarHBondContact O-N 3.28Å; L86-R88 VanDerWaalsContact O-N 3.08Å; R88-D90 PolarHBondContact O-N 3.01Å
89L92.4Very high89.1Confident6 Ų646 Ų463%0.03122%0.218CC..  trans-83102.8178.9-65.4175.5000110.3L86 K87 V94 M152 K155 I157 L180L86-L89 HydrophobicContact CD2-CD1 3.74Å; L86-L89 WeakPolarHBondContact O-CB 3.2Å; L86-L89 PolarHBondContact O-N 3.3Å; K87-L89 VanDerWaalsContact C-N 3.32Å; L89-V94 HydrophobicContact CB-CG1 4.47Å; L89-V94 HydrophobicContact CD1-CG1 4.27Å; L89-M152 HydrophobicContact CD1-CE 4.33Å; L89-M152 HydrophobicContact CD1-CG 4.25Å; L89-M152 HydrophobicContact CD2-CB 4.34Å; L89-M152 HydrophobicContact CD2-CG 3.84Å; L89-K155 HydrophobicContact CD2-CB 4.45Å; L89-K155 HydrophobicContact CD2-CG 4.37Å; L89-I157 HydrophobicContact CD1-CD1 3.97Å; L89-I157 HydrophobicContact CD1-CG2 4.46Å; L89-I157 HydrophobicContact CD2-CD1 3.73Å; L89-I157 HydrophobicContact CG-CD1 3.68Å; L89-L180 HydrophobicContact CD1-CD1 3.93Å
90D94.2Very high89.7Confident89 Ų8947.6 Ų47.648%0.47623%0.229SC..  trans-123.3106.8163.6-176.523.4000109.6R88 H151R88-D90 PolarHBondContact O-N 3.01Å; D90-H151 PolarHBondContact N-NE2 3.35Å; D90-H151 PolarHBondContact O-CE1 2.76Å; D90-H151 VanDerWaalsContact O-CE1 3.29Å; D90-H151 PolarHBondContact O-NE2 2.87Å; D90-H151 VanDerWaalsContact O-NE2 3.14Å
91H97.1Very high90.3Very high37 Ų3745.5 Ų45.517%0.17122%0.218CC..  trans-157.3140.7-178.8-168.4-95.9000111.3N93 V94 S147 H151H91-N93 PolarHBondContact CE1-OD1 3.41Å; H91-N93 PolarHBondContact ND1-N 3.42Å; H91-N93 PolarHBondContact O-N 2.88Å; H91-V94 HydrophobicContact CB-CB 4.22Å; H91-V94 HydrophobicContact CB-CG2 3.98Å; H91-V94 PolarHBondContact O-N 3.46Å; H91-V94 VanDerWaalsContact O-N 3.16Å; H91-S147 PolarHBondContact CE1-OG 3.15Å; H91-S147 PolarHBondContact NE2-OG 2.93Å; H91-H151 HydrophobicContact CB-CB 4.24Å; H91-H151 VanDerWaalsContact CB-CD2 3.46Å; H91-H151 WeakPolarHBondContact CB-CD2 3.46Å; H91-H151 AromaticContact CD2-CG 3.88Å; H91-H151 AromaticContact CG-CG 3.96Å
92P96.5Very high90.6Very high91 Ų9144 Ų4459%0.59122%0.218SC*.THydrogen-bonded Turntrans-59.3-30.6-179.822.4-35.4000113.8K176P92-K176 PolarHBondContact O-NZ 3.36Å
93N97.7Very high91.1Very high16 Ų1646.1 Ų46.19%0.08623%0.228CC..THydrogen-bonded Turntrans-97.616.5-179.2-54.5119.5000115.2H91 Q144 V175 L177H91-N93 PolarHBondContact CE1-OD1 3.41Å; H91-N93 PolarHBondContact ND1-N 3.42Å; H91-N93 PolarHBondContact O-N 2.88Å; N93-Q144 WeakPolarHBondContact CB-O 3.42Å; N93-Q144 WeakPolarHBondContact ND2-CB 3.15Å; N93-Q144 PolarHBondContact ND2-OE1 3.25Å; N93-V175 VanDerWaalsContact CA-O 3.27Å; N93-V175 WeakPolarHBondContact CA-O 3.33Å; N93-V175 PolarHBondContact ND2-O 3.17Å; N93-L177 PolarHBondContact O-N 3.04Å
94V96.1Very high91.4Very high2 Ų251.9 Ų51.91%0.01226%0.259CS..BIsolated β-bridgetrans-123.8144172-176.60000108L89 H91 R96 M152 K176 L180L89-V94 HydrophobicContact CB-CG1 4.47Å; L89-V94 HydrophobicContact CD1-CG1 4.27Å; H91-V94 HydrophobicContact CB-CB 4.22Å; H91-V94 HydrophobicContact CB-CG2 3.98Å; H91-V94 PolarHBondContact O-N 3.46Å; H91-V94 VanDerWaalsContact O-N 3.16Å; V94-R96 PolarHBondContact O-N 3.2Å; V94-M152 HydrophobicContact CG2-CG 4.2Å; V94-K176 PolarHBondContact O-NZ 3.48Å; V94-L180 HydrophobicContact CG1-CD1 3.82Å; V94-L180 HydrophobicContact CG1-CD2 3.78Å; V94-L180 HydrophobicContact CG1-CG 4.47Å
95I94.1Very high91.3Very high5 Ų554 Ų543%0.02627%0.27CS..PPolyproline II helixtrans-61.5126.6171.4-73.7-69.9000108.5Y97 L111 E112 A114 F168 K176 L177I95-Y97 PolarHBondContact O-N 3.39Å; I95-L111 HydrophobicContact CG2-CB 3.89Å; I95-L111 HydrophobicContact CG2-CD1 4.44Å; I95-E112 HydrophobicContact CG2-CB 4.32Å; I95-E112 WeakPolarHBondContact CG2-O 3.49Å; I95-A114 HydrophobicContact CD1-CB 3.83Å; I95-F168 HydrophobicContact CD1-CD2 4.24Å; I95-F168 HydrophobicContact CG1-CD2 4.22Å; I95-K176 HydrophobicContact CD1-CB 3.91Å; I95-K176 HydrophobicContact CD1-CD 3.92Å; I95-K176 HydrophobicContact CG1-CB 4.11Å; I95-L177 WeakPolarHBondContact CB-O 3.3Å; I95-L177 VanDerWaalsContact CG1-O 3.3Å; I95-L177 WeakPolarHBondContact CG1-O 3.45Å; I95-L177 PolarHBondContact N-O 3.08Å
96R92.2Very high91.5Very high93 Ų9353.8 Ų53.835%0.35127%0.268SS..PPolyproline II helixtrans-70.4129.1-176-161-177-49.7112.619.4110V94 L98 L111 E112V94-R96 PolarHBondContact O-N 3.2Å; R96-L98 HydrophobicContact CB-CD2 4.48Å; R96-L98 HydrophobicContact CG-CD2 4.27Å; R96-L111 WeakPolarHBondContact O-CA 3.02Å; R96-E112 HydrophobicContact CB-CB 3.96Å; R96-E112 WeakPolarHBondContact CB-OE2 3.5Å; R96-E112 IonicContact CZ-OE2 3.77Å; R96-E112 PolarHBondContact N-OE2 3.23Å; R96-E112 IonicContact NH2-OE1 3.92Å; R96-E112 IonicContact NH2-OE2 3.41Å; R96-E112 PolarHBondContact NH2-OE2 3.26Å; R96-E112 PolarHBondContact O-N 2.98Å
97Y91.4Very high91.5Very high22 Ų2253.9 Ų53.99%0.08627%0.268CS..EExtended strand (participates in β ladder)trans-72.6129.6164176.8-79.9000109.2I83 L86 K87 I95 S100 I109 L111I83-Y97 HydrophobicContact CG2-CE2 4.14Å; L86-Y97 HydrophobicContact CB-CD2 4.28Å; K87-Y97 HydrophobicContact CB-CE1 4.38Å; K87-Y97 HydrophobicContact CD-CE1 4.46Å; K87-Y97 WeakPolarHBondContact CE-OH 3.47Å; K87-Y97 HydrophobicContact CG-CD1 4.06Å; K87-Y97 HydrophobicContact CG-CE1 3.48Å; K87-Y97 VanDerWaalsContact CG-CE1 3.48Å; K87-Y97 HydrophobicContact CG-CE2 4.23Å; I95-Y97 PolarHBondContact O-N 3.39Å; Y97-S100 WeakPolarHBondContact OH-CB 3.44Å; Y97-S100 PolarHBondContact OH-N 3.29Å; Y97-S100 PolarHBondContact OH-OG 3Å; Y97-I109 HydrophobicContact CD2-CG2 4.18Å; Y97-I109 HydrophobicContact CE2-CG2 3.96Å; Y97-L111 HydrophobicContact CD2-CD2 4.26Å
98L91.7Very high91.6Very high18 Ų1848.9 Ų48.99%0.09425%0.247CC..EExtended strand (participates in β ladder)trans-104.8-51.4178.4-56.2178.5000110.9L25 Y28 V60 R96 V110L25-L98 VanDerWaalsContact CD2-O 3.24Å; L25-L98 WeakPolarHBondContact CD2-O 3.32Å; Y28-L98 HydrophobicContact CE1-CB 4.35Å; Y28-L98 HydrophobicContact CE1-CD1 4.19Å; V60-L98 HydrophobicContact CB-CD1 4.37Å; V60-L98 HydrophobicContact CG1-CD1 3.57Å; R96-L98 HydrophobicContact CB-CD2 4.48Å; R96-L98 HydrophobicContact CG-CD2 4.27Å; L98-V110 WeakPolarHBondContact CA-O 3.25Å; L98-V110 HydrophobicContact CB-CB 4.4Å; L98-V110 HydrophobicContact CB-CG1 4.18Å; L98-V110 WeakPolarHBondContact CB-O 3.44Å; L98-V110 HydrophobicContact CD1-CG1 4.17Å; L98-V110 PolarHBondContact N-O 2.64Å
99A92Very high91.7Very high4 Ų441.5 Ų41.53%0.03322%0.219CC..EExtended strand (participates in β ladder)trans-162.3169.7-179.500000113Y28 V110Y28-A99 HydrophobicContact CG-CB 4.01Å; A99-V110 HydrophobicContact CB-CB 4.4Å; A99-V110 PolarHBondContact N-O 3.47Å; A99-V110 PolarHBondContact O-N 3.19Å
100S90.1Very high91.7Very high33 Ų3341.2 Ų41.223%0.23122%0.217CC..EExtended strand (participates in β ladder)trans-148.9143.3165.371.40000110.3I83 Y97 I108I83-S100 WeakPolarHBondContact CG2-OG 3.38Å; Y97-S100 WeakPolarHBondContact OH-CB 3.44Å; Y97-S100 PolarHBondContact OH-N 3.29Å; Y97-S100 PolarHBondContact OH-OG 3Å; S100-I108 CarbonylContact C-O 3.53Å; S100-I108 WeakPolarHBondContact CA-O 3.38Å; S100-I108 WeakPolarHBondContact CB-O 3.45Å
101F90.8Very high91.7Very high20 Ų2038.1 Ų38.19%0.08820%0.201CC..EExtended strand (participates in β ladder)trans-152.8164.5177.254.8-82.1000109.9Y28 A29 L31 Y34 E103 I108 V110Y28-F101 WeakPolarHBondContact O-CD1 3.35Å; Y28-F101 WeakPolarHBondContact O-CE1 3.44Å; A29-F101 WeakPolarHBondContact O-CD2 3.45Å; L31-F101 HydrophobicContact CD2-CE2 4.37Å; L31-F101 HydrophobicContact CD2-CZ 4.27Å; L31-F101 HydrophobicContact CG-CE2 4.01Å; L31-F101 HydrophobicContact CG-CZ 4.36Å; Y34-F101 HydrophobicContact CE2-CE1 4.05Å; Y34-F101 AromaticContact CE2-CZ 3.85Å; Y34-F101 HydrophobicContact CE2-CZ 3.85Å; F101-E103 HydrophobicContact CD2-CB 4.12Å; F101-E103 HydrophobicContact CE2-CB 4.25Å; F101-I108 HydrophobicContact CD1-CB 4.46Å; F101-I108 HydrophobicContact CD1-CG2 4.46Å; F101-I108 HydrophobicContact CD2-CB 4.32Å; F101-I108 HydrophobicContact CD2-CD1 3.9Å; F101-I108 HydrophobicContact CE1-CB 4.15Å; F101-I108 HydrophobicContact CE1-CG2 3.74Å; F101-I108 HydrophobicContact CE2-CB 4.04Å; F101-I108 HydrophobicContact CE2-CD1 3.48Å; F101-I108 VanDerWaalsContact CE2-CD1 3.48Å; F101-I108 HydrophobicContact CE2-CG1 4.34Å; F101-I108 HydrophobicContact CE2-CG2 4.18Å; F101-I108 HydrophobicContact CZ-CB 3.94Å; F101-I108 HydrophobicContact CZ-CD1 4.09Å; F101-I108 HydrophobicContact CZ-CG2 3.58Å; F101-I108 PolarHBondContact N-O 3.03Å; F101-I108 PolarHBondContact O-N 3.17Å; F101-V110 HydrophobicContact CE1-CG2 3.94Å
102V87.5Confident91.4Very high84 Ų8438.1 Ų38.151%0.50920%0.201SC..EExtended strand (participates in β ladder)trans-111.3122.8176.8177.40000108I67 F68 E106 L107I67-V102 HydrophobicContact CD1-CG2 4.33Å; F68-V102 HydrophobicContact CE2-CG1 3.73Å; F68-V102 HydrophobicContact CZ-CG1 4.08Å; V102-E106 WeakPolarHBondContact CA-O 3.27Å; V102-L107 HydrophobicContact CG2-CD1 4.22Å
103E90.2Very high91.3Very high58 Ų5835.5 Ų35.527%0.27118%0.182SC..EExtended strand (participates in β ladder)trans-149.5144.9177.9-170.2167.9-148.500109.4L31 F101 N105 E106 I108L31-E103 WeakPolarHBondContact CA-OE2 3.37Å; L31-E103 WeakPolarHBondContact CB-OE2 3.28Å; L31-E103 HydrophobicContact CD1-CB 4.39Å; L31-E103 HydrophobicContact CD1-CG 4.27Å; L31-E103 WeakPolarHBondContact CG-OE2 3.39Å; L31-E103 PolarHBondContact N-OE2 2.92Å; F101-E103 HydrophobicContact CD2-CB 4.12Å; F101-E103 HydrophobicContact CE2-CB 4.25Å; E103-N105 PolarHBondContact O-N 3.19Å; E103-E106 PolarHBondContact N-O 3.09Å; E103-E106 PolarHBondContact O-N 3.1Å; E103-E106 VanDerWaalsContact O-O 3.12Å; E103-I108 HydrophobicContact CB-CD1 3.82Å
104N88.7Confident90.8Very high125 Ų12536.1 Ų36.167%0.66819%0.189SC*.THydrogen-bonded Turntrans52.637.7-178.6-59-34.5000114.2E106N104-E106 PolarHBondContact O-N 3.4Å
105N84.2Confident89.8Confident115 Ų11542.6 Ų42.662%0.61522%0.223SC*.THydrogen-bonded Turntrans56.727.9-174.8-63.8-20000114.2F68 E103F68-N105 HydrophobicContact CB-CB 4.47Å; F68-N105 HydrophobicContact CD2-CB 3.74Å; F68-N105 VanDerWaalsContact CD2-O 3.26Å; F68-N105 WeakPolarHBondContact CD2-O 3.18Å; F68-N105 HydrophobicContact CE2-CB 4.27Å; F68-N105 HydrophobicContact CG-CB 4.3Å; E103-N105 PolarHBondContact O-N 3.19Å
106E88.4Confident88.9Confident46 Ų4644.1 Ų44.122%0.21524%0.237CC..EExtended strand (participates in β ladder)trans-123.8141170.4-62.9-172.8126.800109.3I65 V102 E103 N104I65-E106 CarbonylContact O-C 3.51Å; I65-E106 VanDerWaalsContact O-CA 3.27Å; I65-E106 WeakPolarHBondContact O-CA 3.35Å; V102-E106 WeakPolarHBondContact CA-O 3.27Å; E103-E106 PolarHBondContact N-O 3.09Å; E103-E106 PolarHBondContact O-N 3.1Å; E103-E106 VanDerWaalsContact O-O 3.12Å; N104-E106 PolarHBondContact O-N 3.4Å
107L87.7Confident88.7Confident6 Ų641.4 Ų41.43%0.03124%0.237CC..EExtended strand (participates in β ladder)trans-81.2125.4162.1167.770.7000107.7I65 I67 I83 V102 I109I65-L107 HydrophobicContact CB-CB 4.21Å; I65-L107 HydrophobicContact CB-CD2 4.42Å; I65-L107 HydrophobicContact CD1-CD2 3.83Å; I65-L107 HydrophobicContact CD1-CG 4.4Å; I65-L107 PolarHBondContact N-O 2.67Å; I65-L107 PolarHBondContact O-N 3.33Å; I67-L107 HydrophobicContact CB-CB 4.39Å; I67-L107 HydrophobicContact CD1-CB 4.26Å; I67-L107 HydrophobicContact CG1-CB 4.29Å; I67-L107 HydrophobicContact CG2-CB 3.28Å; I67-L107 HydrophobicContact CG2-CD2 3.75Å; I67-L107 HydrophobicContact CG2-CG 4.2Å; I83-L107 HydrophobicContact CD1-CD1 3.89Å; I83-L107 HydrophobicContact CD1-CD2 3.18Å; I83-L107 HydrophobicContact CD1-CG 4.08Å; I83-L107 HydrophobicContact CG1-CD2 4.48Å; V102-L107 HydrophobicContact CG2-CD1 4.22Å; L107-I109 HydrophobicContact CD1-CG1 4.45Å; L107-I109 HydrophobicContact CD2-CD1 4.2Å; L107-I109 HydrophobicContact CD2-CG1 4.36Å; L107-I109 HydrophobicContact CG-CG1 4.14Å
108I91.5Very high88.9Confident0 Ų041.6 Ų41.60%024%0.24CC..EExtended strand (participates in β ladder)trans-109.4127.4178-63.2136.2000107.5L31 M62 K64 S100 F101 E103 V110L31-I108 HydrophobicContact CD1-CD1 3.89Å; L31-I108 HydrophobicContact CD2-CD1 3.89Å; L31-I108 HydrophobicContact CD2-CG1 4.35Å; L31-I108 HydrophobicContact CG-CD1 3.8Å; M62-I108 HydrophobicContact CE-CG2 4.32Å; M62-I108 HydrophobicContact CG-CG2 3.5Å; M62-I108 VanDerWaalsContact CG-CG2 3.5Å; M62-I108 HydrophobicContact SD-CG2 3.88Å; K64-I108 HydrophobicContact CG-CG1 4.25Å; S100-I108 CarbonylContact C-O 3.53Å; S100-I108 WeakPolarHBondContact CA-O 3.38Å; S100-I108 WeakPolarHBondContact CB-O 3.45Å; F101-I108 HydrophobicContact CD1-CB 4.46Å; F101-I108 HydrophobicContact CD1-CG2 4.46Å; F101-I108 HydrophobicContact CD2-CB 4.32Å; F101-I108 HydrophobicContact CD2-CD1 3.9Å; F101-I108 HydrophobicContact CE1-CB 4.15Å; F101-I108 HydrophobicContact CE1-CG2 3.74Å; F101-I108 HydrophobicContact CE2-CB 4.04Å; F101-I108 HydrophobicContact CE2-CD1 3.48Å; F101-I108 VanDerWaalsContact CE2-CD1 3.48Å; F101-I108 HydrophobicContact CE2-CG1 4.34Å; F101-I108 HydrophobicContact CE2-CG2 4.18Å; F101-I108 HydrophobicContact CZ-CB 3.94Å; F101-I108 HydrophobicContact CZ-CD1 4.09Å; F101-I108 HydrophobicContact CZ-CG2 3.58Å; F101-I108 PolarHBondContact N-O 3.03Å; F101-I108 PolarHBondContact O-N 3.17Å; E103-I108 HydrophobicContact CB-CD1 3.82Å; I108-V110 HydrophobicContact CG2-CG2 4.09Å
109I90.9Very high89Confident1 Ų140.8 Ų40.81%0.00524%0.235CC..EExtended strand (participates in β ladder)trans-118.6126.6174.4-55.8175.7000107.8M62 K63 I65 I83 Y97 L107 L111 L182M62-I109 CarbonylContact C-O 3.6Å; M62-I109 WeakPolarHBondContact CA-O 3.27Å; K63-I109 HydrophobicContact CB-CB 4.44Å; K63-I109 PolarHBondContact N-O 3.19Å; K63-I109 PolarHBondContact O-N 3.15Å; I65-I109 HydrophobicContact CD1-CD1 3.69Å; I65-I109 HydrophobicContact CD1-CG1 4.32Å; I83-I109 HydrophobicContact CD1-CD1 4.12Å; I83-I109 HydrophobicContact CG1-CD1 4.03Å; Y97-I109 HydrophobicContact CD2-CG2 4.18Å; Y97-I109 HydrophobicContact CE2-CG2 3.96Å; L107-I109 HydrophobicContact CD1-CG1 4.45Å; L107-I109 HydrophobicContact CD2-CD1 4.2Å; L107-I109 HydrophobicContact CD2-CG1 4.36Å; L107-I109 HydrophobicContact CG-CG1 4.14Å; I109-L111 HydrophobicContact CG2-CD2 3.9Å; I109-L111 HydrophobicContact CG2-CG 4.14Å; I109-L182 HydrophobicContact CD1-CD1 3.32Å; I109-L182 HydrophobicContact CD1-CD2 4.35Å; I109-L182 HydrophobicContact CD1-CG 4.47Å
110V93.4Very high89.2Confident0 Ų041.7 Ų41.70%024%0.242CC..EExtended strand (participates in β ladder)trans-108.8124.2-177.1-172.70000108.8Y28 Y34 V60 L98 A99 F101 I108Y28-V110 HydrophobicContact CD1-CG1 4.12Å; Y28-V110 HydrophobicContact CE1-CG1 4.4Å; Y34-V110 HydrophobicContact CE1-CG1 3.97Å; Y34-V110 HydrophobicContact CE1-CG2 4.22Å; Y34-V110 WeakPolarHBondContact OH-CG2 3.44Å; V60-V110 HydrophobicContact CB-CG1 3.84Å; V60-V110 HydrophobicContact CG1-CG1 4.15Å; V60-V110 HydrophobicContact CG2-CG1 3.8Å; L98-V110 WeakPolarHBondContact CA-O 3.25Å; L98-V110 HydrophobicContact CB-CB 4.4Å; L98-V110 HydrophobicContact CB-CG1 4.18Å; L98-V110 WeakPolarHBondContact CB-O 3.44Å; L98-V110 HydrophobicContact CD1-CG1 4.17Å; L98-V110 PolarHBondContact N-O 2.64Å; A99-V110 HydrophobicContact CB-CB 4.4Å; A99-V110 PolarHBondContact N-O 3.47Å; A99-V110 PolarHBondContact O-N 3.19Å; F101-V110 HydrophobicContact CE1-CG2 3.94Å; I108-V110 HydrophobicContact CG2-CG2 4.09Å
111L92.8Very high89.4Confident25 Ų2545.6 Ų45.613%0.13126%0.256CS..EExtended strand (participates in β ladder)trans-126.3155.8-174-58.4175.7000110A61 I95 R96 Y97 I109 L113A61-L111 HydrophobicContact CB-CB 4.34Å; A61-L111 PolarHBondContact N-O 3.11Å; A61-L111 PolarHBondContact O-N 2.74Å; I95-L111 HydrophobicContact CG2-CB 3.89Å; I95-L111 HydrophobicContact CG2-CD1 4.44Å; R96-L111 WeakPolarHBondContact O-CA 3.02Å; Y97-L111 HydrophobicContact CD2-CD2 4.26Å; I109-L111 HydrophobicContact CG2-CD2 3.9Å; I109-L111 HydrophobicContact CG2-CG 4.14Å; L111-L113 PolarHBondContact O-N 2.99Å
112E92.5Very high89.7Confident36 Ų3646.5 Ų46.517%0.16826%0.261CS..EExtended strand (participates in β ladder)trans-54.2129.3163175.3-176.6-178.600109.9I95 R96 K176I95-E112 HydrophobicContact CG2-CB 4.32Å; I95-E112 WeakPolarHBondContact CG2-O 3.49Å; R96-E112 HydrophobicContact CB-CB 3.96Å; R96-E112 WeakPolarHBondContact CB-OE2 3.5Å; R96-E112 IonicContact CZ-OE2 3.77Å; R96-E112 PolarHBondContact N-OE2 3.23Å; R96-E112 IonicContact NH2-OE1 3.92Å; R96-E112 IonicContact NH2-OE2 3.41Å; R96-E112 PolarHBondContact NH2-OE2 3.26Å; R96-E112 PolarHBondContact O-N 2.98Å; E112-K176 WeakPolarHBondContact OE1-CE 3.48Å; E112-K176 IonicContact OE1-NZ 2.66Å; E112-K176 PolarHBondContact OE1-NZ 3.08Å; E112-K176 IonicContact OE2-NZ 2.7Å; E112-K176 PolarHBondContact OE2-NZ 3.02Å
113L92.7Very high90.1Very high37 Ų3742.7 Ų42.719%0.19424%0.238CC..PPolyproline II helixtrans-78.8124.3171.8-176.168.2000109.5I40 Q50 T59 A61 L111I40-L113 HydrophobicContact CD1-CD1 3.69Å; Q50-L113 HydrophobicContact CG-CD2 4.04Å; T59-L113 HydrophobicContact CG2-CD2 3.46Å; T59-L113 VanDerWaalsContact CG2-CD2 3.46Å; A61-L113 HydrophobicContact CB-CD1 3.95Å; L111-L113 PolarHBondContact O-N 2.99Å
114A88.9Confident90.4Very high28 Ų2844.9 Ų44.923%0.23125%0.246CC..PPolyproline II helixtrans-81.7121.1168.200000110I95 F168I95-A114 HydrophobicContact CD1-CB 3.83Å; A114-F168 HydrophobicContact CB-CB 3.55Å; A114-F168 HydrophobicContact CB-CD1 3.49Å; A114-F168 VanDerWaalsContact CB-CD1 3.49Å; A114-F168 HydrophobicContact CB-CD2 3.79Å; A114-F168 HydrophobicContact CB-CE1 4.11Å; A114-F168 HydrophobicContact CB-CE2 4.38Å; A114-F168 HydrophobicContact CB-CG 3.29Å
115D74.4Confident90.8Very high139 Ų13943.9 Ų43.974%0.74324%0.238SC*.  trans-103.1-2.2-165.258.5-11.3000114.9
116A74.3Confident91.5Very high37 Ų3739.3 Ų39.331%0.30621%0.212SC..SBendtrans-132.628.4-160.300000116.5I169 N170 V171A116-I169 CarbonylContact C-O 3.55Å; A116-I169 VanDerWaalsContact C-O 3.29Å; A116-N170 HydrophobicContact CB-CB 3.75Å; A116-V171 HydrophobicContact CB-CG1 4.33Å
117G89.3Confident91.9Very high35 Ų3544.3 Ų44.336%0.36123%0.229SC..  trans85.1179.917400000112.9F168 I169G117-F168 WeakPolarHBondContact O-CA 3.3Å; G117-I169 PolarHBondContact O-N 3.1Å
118D94.1Very high92.3Very high27 Ų2752.8 Ų52.814%0.14427%0.266CS..BIsolated β-bridgetrans-132.2166.5-171.261.669.6000112.4S120 H121 M122 V167 F168D118-S120 PolarHBondContact O-N 3.47Å; D118-S120 VanDerWaalsContact OD1-CA 3.23Å; D118-S120 WeakPolarHBondContact OD1-CA 3.34Å; D118-S120 WeakPolarHBondContact OD1-CB 3.44Å; D118-S120 PolarHBondContact OD1-N 2.87Å; D118-H121 VanDerWaalsContact CG-ND1 3.31Å; D118-H121 WeakPolarHBondContact O-CB 3.49Å; D118-H121 PolarHBondContact O-N 3.48Å; D118-H121 VanDerWaalsContact O-N 3.12Å; D118-H121 IonicContact OD1-CG 3.21Å; D118-H121 PolarHBondContact OD1-N 2.87Å; D118-H121 IonicContact OD1-ND1 2.76Å; D118-H121 PolarHBondContact OD1-ND1 3.4Å; D118-H121 IonicContact OD2-CE1 3.42Å; D118-H121 PolarHBondContact OD2-CE1 3.2Å; D118-H121 IonicContact OD2-CG 3.88Å; D118-H121 IonicContact OD2-ND1 2.73Å; D118-H121 PolarHBondContact OD2-ND1 2.87Å; D118-M122 PolarHBondContact O-N 3.25Å; D118-M122 VanDerWaalsContact O-N 3.16Å; D118-V167 CarbonylContact C-O 3.52Å; D118-V167 VanDerWaalsContact CA-O 3.24Å; D118-V167 WeakPolarHBondContact CA-O 3.46Å; D118-F168 HydrophobicContact CB-CD1 4.33Å
119L95.8Very high92.6Very high0 Ų059.4 Ų59.40%029%0.294CS..Hα-helixtrans-63.5-27.5-179.7-176.663.9000111.8M122 I123 I145 P164 V167 I169 L225 M229L119-M122 HydrophobicContact CD1-CB 4.41Å; L119-M122 HydrophobicContact CD1-CG 4.49Å; L119-M122 HydrophobicContact CD1-SD 4.05Å; L119-M122 PolarHBondContact O-N 3.2Å; L119-I123 HydrophobicContact CD1-CD1 4.42Å; L119-I123 HydrophobicContact CG-CD1 3.91Å; L119-I123 HydrophobicContact CG-CG1 4.46Å; L119-I123 WeakPolarHBondContact O-CD1 3.2Å; L119-I123 VanDerWaalsContact O-CG1 3.3Å; L119-I123 WeakPolarHBondContact O-CG1 2.82Å; L119-I123 PolarHBondContact O-N 3.25Å; L119-I145 HydrophobicContact CD2-CD1 4.28Å; L119-P164 HydrophobicContact CB-CB 4.07Å; L119-P164 WeakPolarHBondContact CB-O 3.48Å; L119-P164 HydrophobicContact CD2-CB 4.34Å; L119-P164 HydrophobicContact CG-CB 4.13Å; L119-P164 PolarHBondContact N-O 3.43Å; L119-V167 HydrophobicContact CB-CB 3.91Å; L119-V167 HydrophobicContact CB-CG1 4.01Å; L119-V167 HydrophobicContact CD2-CB 4.28Å; L119-V167 HydrophobicContact CD2-CG1 4.15Å; L119-V167 PolarHBondContact N-O 3.49Å; L119-I169 HydrophobicContact CB-CD1 4.07Å; L119-I169 HydrophobicContact CD1-CD1 3.82Å; L119-L225 HydrophobicContact CD2-CD1 4.13Å; L119-L225 HydrophobicContact CD2-CD2 3.92Å; L119-L225 HydrophobicContact CD2-CG 4.08Å; L119-M229 HydrophobicContact CD1-CE 4.05Å; L119-M229 HydrophobicContact CD1-CG 4.24Å; L119-M229 HydrophobicContact CD1-SD 4.45Å; L119-M229 HydrophobicContact CD2-CE 4.44Å; L119-M229 HydrophobicContact CD2-CG 3.87Å; L119-M229 HydrophobicContact CD2-SD 3.86Å; L119-M229 HydrophobicContact CG-CG 4.43Å
120S95.2Very high92.9Very high23 Ų2369 Ų6916%0.16134%0.336CS..Hα-helixtrans-63.8-42.6173.2-1670000111.3D118 I123 K124 P164D118-S120 PolarHBondContact O-N 3.47Å; D118-S120 VanDerWaalsContact OD1-CA 3.23Å; D118-S120 WeakPolarHBondContact OD1-CA 3.34Å; D118-S120 WeakPolarHBondContact OD1-CB 3.44Å; D118-S120 PolarHBondContact OD1-N 2.87Å; S120-I123 PolarHBondContact O-N 3.43Å; S120-K124 WeakPolarHBondContact O-CB 3.31Å; S120-K124 VanDerWaalsContact O-CG 3.24Å; S120-K124 WeakPolarHBondContact O-CG 3.3Å; S120-K124 PolarHBondContact O-N 3.26Å; S120-K124 WeakPolarHBondContact OG-CE 3.49Å; S120-P164 PolarHBondContact N-O 3.22Å
121H94.8Very high93.1Very high115 Ų11575.4 Ų75.453%0.53236%0.36SS..Hα-helixtrans-62.2-42.2173.8-80.490.8000112.1D118 K124 H125D118-H121 VanDerWaalsContact CG-ND1 3.31Å; D118-H121 WeakPolarHBondContact O-CB 3.49Å; D118-H121 PolarHBondContact O-N 3.48Å; D118-H121 VanDerWaalsContact O-N 3.12Å; D118-H121 IonicContact OD1-CG 3.21Å; D118-H121 PolarHBondContact OD1-N 2.87Å; D118-H121 IonicContact OD1-ND1 2.76Å; D118-H121 PolarHBondContact OD1-ND1 3.4Å; D118-H121 IonicContact OD2-CE1 3.42Å; D118-H121 PolarHBondContact OD2-CE1 3.2Å; D118-H121 IonicContact OD2-CG 3.88Å; D118-H121 IonicContact OD2-ND1 2.73Å; D118-H121 PolarHBondContact OD2-ND1 2.87Å; H121-K124 PolarHBondContact O-N 3.4Å; H121-H125 WeakPolarHBondContact O-CB 3.45Å; H121-H125 PolarHBondContact O-N 3.34Å
122M95.9Very high93.3Very high40 Ų4077 Ų7720%0.19737%0.369CS..Hα-helixtrans-59.1-50.6173.5170.5172.3-89.400111.5D118 L119 K124 H125 F126 I133 Y141 I169D118-M122 PolarHBondContact O-N 3.25Å; D118-M122 VanDerWaalsContact O-N 3.16Å; L119-M122 HydrophobicContact CD1-CB 4.41Å; L119-M122 HydrophobicContact CD1-CG 4.49Å; L119-M122 HydrophobicContact CD1-SD 4.05Å; L119-M122 PolarHBondContact O-N 3.2Å; M122-K124 VanDerWaalsContact C-N 3.33Å; M122-K124 PolarHBondContact O-N 3.32Å; M122-H125 WeakPolarHBondContact O-CB 3.48Å; M122-H125 PolarHBondContact O-N 3.31Å; M122-H125 VanDerWaalsContact O-N 3.1Å; M122-F126 HydrophobicContact CE-CE2 4.39Å; M122-F126 HydrophobicContact CG-CD2 3.97Å; M122-F126 HydrophobicContact CG-CE2 4.03Å; M122-F126 WeakPolarHBondContact O-CD2 3.47Å; M122-F126 PolarHBondContact O-N 3.29Å; M122-I133 HydrophobicContact CG-CD1 4.26Å; M122-I133 HydrophobicContact SD-CD1 4.41Å; M122-Y141 HydrophobicContact CE-CE2 3.53Å; M122-Y141 HydrophobicContact SD-CD2 4.07Å; M122-Y141 HydrophobicContact SD-CE2 3.57Å; M122-Y141 VanDerWaalsContact SD-CE2 3.57Å; M122-I169 HydrophobicContact SD-CD1 4.23Å
123I97.2Very high93.6Very high4 Ų475.4 Ų75.42%0.02136%0.361CS..Hα-helixtrans-60-44.8-179.6-71.3161.2000110.7L119 S120 H125 F126 R127 I133 P164 E228 L232L119-I123 HydrophobicContact CD1-CD1 4.42Å; L119-I123 HydrophobicContact CG-CD1 3.91Å; L119-I123 HydrophobicContact CG-CG1 4.46Å; L119-I123 WeakPolarHBondContact O-CD1 3.2Å; L119-I123 VanDerWaalsContact O-CG1 3.3Å; L119-I123 WeakPolarHBondContact O-CG1 2.82Å; L119-I123 PolarHBondContact O-N 3.25Å; S120-I123 PolarHBondContact O-N 3.43Å; I123-H125 VanDerWaalsContact C-N 3.31Å; I123-H125 PolarHBondContact O-N 3.45Å; I123-F126 PolarHBondContact O-N 3.12Å; I123-R127 WeakPolarHBondContact O-CB 3.27Å; I123-R127 PolarHBondContact O-N 2.95Å; I123-I133 HydrophobicContact CG1-CD1 4.24Å; I123-P164 HydrophobicContact CD1-CB 3.89Å; I123-P164 HydrophobicContact CD1-CG 3.87Å; I123-E228 HydrophobicContact CD1-CG 4.06Å; I123-E228 HydrophobicContact CG2-CG 4.47Å; I123-L232 HydrophobicContact CG2-CB 4.28Å; I123-L232 HydrophobicContact CG2-CD2 4.18Å
124K96.6Very high93.8Very high103 Ų10376.2 Ų76.245%0.44837%0.369SS..Hα-helixtrans-58.9-40.6174.9-73.5168.6-174.6168.70112.1S120 H121 M122 R127 K128S120-K124 WeakPolarHBondContact O-CB 3.31Å; S120-K124 VanDerWaalsContact O-CG 3.24Å; S120-K124 WeakPolarHBondContact O-CG 3.3Å; S120-K124 PolarHBondContact O-N 3.26Å; S120-K124 WeakPolarHBondContact OG-CE 3.49Å; H121-K124 PolarHBondContact O-N 3.4Å; M122-K124 VanDerWaalsContact C-N 3.33Å; M122-K124 PolarHBondContact O-N 3.32Å; K124-R127 PolarHBondContact O-N 3.1Å; K124-K128 WeakPolarHBondContact O-CB 3.33Å; K124-K128 PolarHBondContact O-N 2.89Å
125H96.3Very high94.2Very high105 Ų10576.1 Ų76.149%0.48636%0.364SS..Hα-helixtrans-61.8-50.4177.4179.492.9000111.8H121 M122 I123 R127 K128 K129H121-H125 WeakPolarHBondContact O-CB 3.45Å; H121-H125 PolarHBondContact O-N 3.34Å; M122-H125 WeakPolarHBondContact O-CB 3.48Å; M122-H125 PolarHBondContact O-N 3.31Å; M122-H125 VanDerWaalsContact O-N 3.1Å; I123-H125 VanDerWaalsContact C-N 3.31Å; I123-H125 PolarHBondContact O-N 3.45Å; H125-R127 VanDerWaalsContact C-N 3.34Å; H125-R127 PolarHBondContact O-N 3.46Å; H125-K128 PolarHBondContact O-N 2.93Å; H125-K129 WeakPolarHBondContact O-CG 3.45Å; H125-K129 PolarHBondContact O-N 2.78Å
126F97.7Very high95.3Very high19 Ų1974.2 Ų74.28%0.08335%0.349CS..Hα-helixtrans-62.5-41.1178.2-87.5-95.9000112.1M122 I123 K128 K129 K130 R131 L132 I133 L232M122-F126 HydrophobicContact CE-CE2 4.39Å; M122-F126 HydrophobicContact CG-CD2 3.97Å; M122-F126 HydrophobicContact CG-CE2 4.03Å; M122-F126 WeakPolarHBondContact O-CD2 3.47Å; M122-F126 PolarHBondContact O-N 3.29Å; I123-F126 PolarHBondContact O-N 3.12Å; F126-K128 PolarHBondContact O-N 3.02Å; F126-K129 CarbonylContact O-C 3.51Å; F126-K129 PolarHBondContact O-N 3.32Å; F126-K129 VanDerWaalsContact O-N 3.14Å; F126-K130 PolarHBondContact O-N 3.49Å; F126-K130 VanDerWaalsContact O-N 3.08Å; F126-R131 CarbonylContact C-O 3.24Å; F126-R131 WeakPolarHBondContact CB-O 3.41Å; F126-R131 WeakPolarHBondContact CD1-O 3.17Å; F126-R131 VanDerWaalsContact CE1-CZ 3.47Å; F126-R131 PolarHBondContact O-N 3.49Å; F126-R131 VanDerWaalsContact O-N 3.13Å; F126-R131 VanDerWaalsContact O-O 3.13Å; F126-L132 WeakPolarHBondContact CD1-O 3.3Å; F126-I133 HydrophobicContact CB-CG1 4.14Å; F126-I133 HydrophobicContact CD1-CB 4.47Å; F126-I133 HydrophobicContact CD1-CG1 3.87Å; F126-I133 HydrophobicContact CD2-CD1 4.38Å; F126-I133 HydrophobicContact CD2-CG1 3.98Å; F126-I133 HydrophobicContact CE1-CB 4.45Å; F126-I133 HydrophobicContact CE1-CG1 4.2Å; F126-I133 HydrophobicContact CE2-CG1 4.32Å; F126-I133 HydrophobicContact CG-CG1 3.74Å; F126-I133 HydrophobicContact CZ-CG1 4.42Å; F126-L232 HydrophobicContact CB-CD1 4.27Å; F126-L232 HydrophobicContact CB-CD2 3.87Å
127R97.1Very high96.4Very high150 Ų15074.2 Ų74.257%0.56635%0.345SS*.Hα-helixtrans-60.4-45.7174.6-171174.261.8144.70.1112.1I123 K124 H125 K129 K130 L232I123-R127 WeakPolarHBondContact O-CB 3.27Å; I123-R127 PolarHBondContact O-N 2.95Å; K124-R127 PolarHBondContact O-N 3.1Å; H125-R127 VanDerWaalsContact C-N 3.34Å; H125-R127 PolarHBondContact O-N 3.46Å; R127-K129 VanDerWaalsContact C-N 3.25Å; R127-K129 PolarHBondContact O-N 3.39Å; R127-K130 PolarHBondContact O-N 3.24Å; R127-L232 HydrophobicContact CB-CB 4.33Å; R127-L232 HydrophobicContact CB-CD1 4.2Å
128K97.5Very high96.9Very high184 Ų18472.6 Ų72.680%0.833%0.328SS*.Hα-helixtrans-61-35.7175.7-176.3176.8180177.50112K124 H125 F126 K130K124-K128 WeakPolarHBondContact O-CB 3.33Å; K124-K128 PolarHBondContact O-N 2.89Å; H125-K128 PolarHBondContact O-N 2.93Å; F126-K128 PolarHBondContact O-N 3.02Å; K128-K130 PolarHBondContact O-N 3.4Å
129K97.3Very high97.1Very high139 Ų13971.3 Ų71.360%0.60432%0.321SS*.THydrogen-bonded Turntrans-80.20.2176.2-67.1-67.3-174.5176.20113.7H125 F126 R127 R131H125-K129 WeakPolarHBondContact O-CG 3.45Å; H125-K129 PolarHBondContact O-N 2.78Å; F126-K129 CarbonylContact O-C 3.51Å; F126-K129 PolarHBondContact O-N 3.32Å; F126-K129 VanDerWaalsContact O-N 3.14Å; R127-K129 VanDerWaalsContact C-N 3.25Å; R127-K129 PolarHBondContact O-N 3.39Å; K129-R131 HydrophobicContact CB-CB 4.5Å; K129-R131 PolarHBondContact O-N 2.84Å
130K96.6Very high97.2Very high202 Ų20275.3 Ų75.388%0.87834%0.339SS*.THydrogen-bonded Turntrans49.839.2-176.1-59.2-176.1178.8-177.30112.3F126 R127 K128F126-K130 PolarHBondContact O-N 3.49Å; F126-K130 VanDerWaalsContact O-N 3.08Å; R127-K130 PolarHBondContact O-N 3.24Å; K128-K130 PolarHBondContact O-N 3.4Å
131R97Very high97.3Very high135 Ų13575.3 Ų75.351%0.50934%0.335SS..  trans-130.7133.9-178.2-171.5177.269.3115.8-5.3109F126 K129 L232F126-R131 CarbonylContact C-O 3.24Å; F126-R131 WeakPolarHBondContact CB-O 3.41Å; F126-R131 WeakPolarHBondContact CD1-O 3.17Å; F126-R131 VanDerWaalsContact CE1-CZ 3.47Å; F126-R131 PolarHBondContact O-N 3.49Å; F126-R131 VanDerWaalsContact O-N 3.13Å; F126-R131 VanDerWaalsContact O-O 3.13Å; K129-R131 HydrophobicContact CB-CB 4.5Å; K129-R131 PolarHBondContact O-N 2.84Å; R131-L232 WeakPolarHBondContact O-CD1 3.24Å
132L97.9Very high97.5Very high60 Ų6069.8 Ų69.831%0.31431%0.31SS..PPolyproline II helixtrans-72.4155.7174.9-61.9179.8000111.6F126 L232 I262 Y263F126-L132 WeakPolarHBondContact CD1-O 3.3Å; L132-L232 HydrophobicContact CD2-CD1 3.93Å; L132-L232 HydrophobicContact CD2-CG 4.1Å; L132-I262 HydrophobicContact CD1-CD1 3.59Å; L132-I262 HydrophobicContact CD1-CG2 4.16Å; L132-Y263 HydrophobicContact CD1-CE2 4.29Å
133I98.2Very high97.7Very high1 Ų168.6 Ų68.61%0.00531%0.305CS..PPolyproline II helixtrans-73.8126.6173.7-54.8-175.6000107.9M122 I123 F126 E135 T137 I138 M229 L232 Y263M122-I133 HydrophobicContact CG-CD1 4.26Å; M122-I133 HydrophobicContact SD-CD1 4.41Å; I123-I133 HydrophobicContact CG1-CD1 4.24Å; F126-I133 HydrophobicContact CB-CG1 4.14Å; F126-I133 HydrophobicContact CD1-CB 4.47Å; F126-I133 HydrophobicContact CD1-CG1 3.87Å; F126-I133 HydrophobicContact CD2-CD1 4.38Å; F126-I133 HydrophobicContact CD2-CG1 3.98Å; F126-I133 HydrophobicContact CE1-CB 4.45Å; F126-I133 HydrophobicContact CE1-CG1 4.2Å; F126-I133 HydrophobicContact CE2-CG1 4.32Å; F126-I133 HydrophobicContact CG-CG1 3.74Å; F126-I133 HydrophobicContact CZ-CG1 4.42Å; I133-E135 PolarHBondContact O-N 3.31Å; I133-T137 HydrophobicContact CG2-CG2 3.81Å; I133-I138 HydrophobicContact CB-CD1 4.35Å; I133-I138 HydrophobicContact CB-CG1 4.02Å; I133-I138 HydrophobicContact CG2-CG1 3.7Å; I133-M229 WeakPolarHBondContact CD1-O 3.36Å; I133-M229 WeakPolarHBondContact CG1-O 3.24Å; I133-L232 HydrophobicContact CD1-CD2 4.17Å; I133-L232 HydrophobicContact CG1-CD2 3.87Å; I133-Y263 PolarHBondContact O-OH 2.76Å
134P97.5Very high97.7Very high54 Ų5470.2 Ų70.235%0.35131%0.312SS..PPolyproline II helixtrans-58.4138.4174.8-23.433.4000111K136 T137 I138P134-K136 VanDerWaalsContact C-N 3.26Å; P134-K136 PolarHBondContact O-N 3.36Å; P134-T137 WeakPolarHBondContact O-CA 3.35Å; P134-T137 VanDerWaalsContact O-CB 3.26Å; P134-T137 WeakPolarHBondContact O-CB 3.38Å; P134-T137 PolarHBondContact O-N 2.91Å; P134-I138 PolarHBondContact O-N 2.9Å
135E98.1Very high97.8Very high27 Ų2765.3 Ų65.313%0.12629%0.291CS..Hα-helixtrans-55.1-41.2-177.8179.4166.5168.300113.1I133 T137 I138 W139 Y263 S264 L267 L299I133-E135 PolarHBondContact O-N 3.31Å; E135-T137 PolarHBondContact O-N 3.35Å; E135-I138 WeakPolarHBondContact O-CA 3.48Å; E135-I138 WeakPolarHBondContact O-CB 3.21Å; E135-I138 PolarHBondContact O-N 3.03Å; E135-W139 VanDerWaalsContact CG-CD1 3.45Å; E135-W139 PolarHBondContact O-N 3.07Å; E135-W139 PolarHBondContact OE1-NE1 2.87Å; E135-Y263 HydrophobicContact CB-CD1 4Å; E135-Y263 HydrophobicContact CB-CE1 4.24Å; E135-Y263 HydrophobicContact CG-CD1 4.44Å; E135-Y263 WeakPolarHBondContact OE2-CA 3.15Å; E135-S264 WeakPolarHBondContact OE1-CB 3.33Å; E135-S264 PolarHBondContact OE1-OG 3.34Å; E135-S264 WeakPolarHBondContact OE2-CB 3.43Å; E135-S264 PolarHBondContact OE2-N 3.19Å; E135-L267 HydrophobicContact CG-CD1 3.92Å; E135-L299 HydrophobicContact CG-CD1 4.19Å
136K97.6Very high97.9Very high99 Ų9960.3 Ų60.343%0.4327%0.268SS..Hα-helixtrans-54.3-37.4173.7179.7169.8180152.60112.9P134 K140 L299 N300P134-K136 VanDerWaalsContact C-N 3.26Å; P134-K136 PolarHBondContact O-N 3.36Å; K136-K140 WeakPolarHBondContact O-CB 3.5Å; K136-K140 PolarHBondContact O-N 2.86Å; K136-K140 VanDerWaalsContact O-N 3.16Å; K136-L299 HydrophobicContact CB-CB 4.48Å; K136-L299 HydrophobicContact CB-CD1 4.42Å; K136-L299 WeakPolarHBondContact CE-O 3.27Å; K136-L299 HydrophobicContact CG-CB 4.31Å; K136-L299 PolarHBondContact NZ-O 3.09Å; K136-N300 WeakPolarHBondContact CE-OD1 3.08Å; K136-N300 PolarHBondContact NZ-OD1 2.89Å
137T97.4Very high98Very high37 Ų3760.1 Ų60.123%0.22727%0.268CS..Hα-helixtrans-73.4-37.6176-57.20000111.4I133 P134 E135 K140 Y141I133-T137 HydrophobicContact CG2-CG2 3.81Å; P134-T137 WeakPolarHBondContact O-CA 3.35Å; P134-T137 VanDerWaalsContact O-CB 3.26Å; P134-T137 WeakPolarHBondContact O-CB 3.38Å; P134-T137 PolarHBondContact O-N 2.91Å; E135-T137 PolarHBondContact O-N 3.35Å; T137-K140 WeakPolarHBondContact O-CB 3.42Å; T137-K140 PolarHBondContact O-N 3.42Å; T137-Y141 HydrophobicContact CG2-CD2 3.96Å; T137-Y141 HydrophobicContact CG2-CE2 3.42Å; T137-Y141 VanDerWaalsContact CG2-CE2 3.42Å; T137-Y141 WeakPolarHBondContact O-CD2 3.38Å; T137-Y141 PolarHBondContact O-N 3.3Å
138I98.5Very high98.1Very high0 Ų053 Ų530%024%0.241CC..Hα-helixtrans-58.5-55174.6-61178.8000109.7I133 P134 E135 K140 Y141 F142 L226 M229 A230 Y263 L267I133-I138 HydrophobicContact CB-CD1 4.35Å; I133-I138 HydrophobicContact CB-CG1 4.02Å; I133-I138 HydrophobicContact CG2-CG1 3.7Å; P134-I138 PolarHBondContact O-N 2.9Å; E135-I138 WeakPolarHBondContact O-CA 3.48Å; E135-I138 WeakPolarHBondContact O-CB 3.21Å; E135-I138 PolarHBondContact O-N 3.03Å; I138-K140 VanDerWaalsContact C-N 3.3Å; I138-K140 PolarHBondContact O-N 3.34Å; I138-Y141 PolarHBondContact O-N 3.23Å; I138-Y141 VanDerWaalsContact O-N 3.1Å; I138-F142 VanDerWaalsContact O-CB 3.27Å; I138-F142 WeakPolarHBondContact O-CB 3.26Å; I138-F142 PolarHBondContact O-N 3.38Å; I138-L226 HydrophobicContact CG2-CD1 3.55Å; I138-M229 HydrophobicContact CB-CE 4.3Å; I138-M229 HydrophobicContact CD1-CB 4.37Å; I138-M229 HydrophobicContact CG1-CB 4.27Å; I138-M229 HydrophobicContact CG1-CE 4.49Å; I138-M229 HydrophobicContact CG2-CB 4.18Å; I138-M229 HydrophobicContact CG2-CE 3.98Å; I138-M229 HydrophobicContact CG2-SD 4.27Å; I138-A230 HydrophobicContact CD1-CB 3.95Å; I138-Y263 HydrophobicContact CD1-CD1 4.33Å; I138-Y263 HydrophobicContact CD1-CE1 3.55Å; I138-L267 HydrophobicContact CB-CD1 4.48Å; I138-L267 HydrophobicContact CD1-CD1 4.13Å; I138-L267 HydrophobicContact CG2-CD1 4.1Å
139W98.4Very high98.1Very high0 Ų044.2 Ų44.20%020%0.203CC..Hα-helixtrans-61.9-34.7-180-69.5116.8000113.5E135 Y141 F142 V143 L267 L270 I291 A292 M295 H296 L299E135-W139 VanDerWaalsContact CG-CD1 3.45Å; E135-W139 PolarHBondContact O-N 3.07Å; E135-W139 PolarHBondContact OE1-NE1 2.87Å; W139-Y141 VanDerWaalsContact C-N 3.27Å; W139-Y141 PolarHBondContact O-N 3.22Å; W139-F142 HydrophobicContact CE3-CB 4.47Å; W139-F142 HydrophobicContact CE3-CD1 4.08Å; W139-F142 AromaticContact CZ3-CD1 3.8Å; W139-F142 HydrophobicContact CZ3-CD1 3.8Å; W139-F142 HydrophobicContact CZ3-CE1 4.33Å; W139-F142 PolarHBondContact O-N 3.47Å; W139-V143 WeakPolarHBondContact O-CB 3.38Å; W139-V143 VanDerWaalsContact O-CG1 3.25Å; W139-V143 WeakPolarHBondContact O-CG1 3.46Å; W139-V143 PolarHBondContact O-N 3.15Å; W139-L267 HydrophobicContact CZ2-CB 3.78Å; W139-L267 HydrophobicContact CZ2-CD1 4.48Å; W139-L267 HydrophobicContact CZ2-CG 4.26Å; W139-L270 HydrophobicContact CH2-CD2 3.55Å; W139-L270 HydrophobicContact CZ3-CD2 3.75Å; W139-I291 HydrophobicContact CH2-CG2 4.22Å; W139-A292 HydrophobicContact CE3-CB 4Å; W139-A292 HydrophobicContact CZ3-CB 3.89Å; W139-M295 HydrophobicContact CD2-CB 3.58Å; W139-M295 HydrophobicContact CD2-CG 4.33Å; W139-M295 HydrophobicContact CE3-CB 4Å; W139-M295 HydrophobicContact CG-CB 3.93Å; W139-M295 HydrophobicContact CH2-CB 4.33Å; W139-M295 HydrophobicContact CH2-CG 4.11Å; W139-M295 HydrophobicContact CZ2-CB 3.96Å; W139-M295 HydrophobicContact CZ2-CE 4.28Å; W139-M295 HydrophobicContact CZ2-CG 3.76Å; W139-M295 HydrophobicContact CZ3-CB 4.36Å; W139-H296 HydrophobicContact CB-CB 4.36Å; W139-L299 HydrophobicContact CG-CD1 4.25Å
140K97.9Very high98.1Very high85 Ų8539.2 Ų39.237%0.3718%0.183SC..Hα-helixtrans-55.8-39.6173.9176.1-173.7173.5-176.60113K136 T137 I138 Q144 H296K136-K140 WeakPolarHBondContact O-CB 3.5Å; K136-K140 PolarHBondContact O-N 2.86Å; K136-K140 VanDerWaalsContact O-N 3.16Å; T137-K140 WeakPolarHBondContact O-CB 3.42Å; T137-K140 PolarHBondContact O-N 3.42Å; I138-K140 VanDerWaalsContact C-N 3.3Å; I138-K140 PolarHBondContact O-N 3.34Å; K140-Q144 PolarHBondContact O-NE2 2.8Å; K140-H296 WeakPolarHBondContact CA-ND1 3.5Å
141Y98.4Very high98.2Very high22 Ų2231.1 Ų31.19%0.08615%0.148CC..Hα-helixtrans-88.8-41.6178.7-61.5-52000111.3M122 T137 I138 W139 V143 Q144 I145 I169 V175 M229M122-Y141 HydrophobicContact CE-CE2 3.53Å; M122-Y141 HydrophobicContact SD-CD2 4.07Å; M122-Y141 HydrophobicContact SD-CE2 3.57Å; M122-Y141 VanDerWaalsContact SD-CE2 3.57Å; T137-Y141 HydrophobicContact CG2-CD2 3.96Å; T137-Y141 HydrophobicContact CG2-CE2 3.42Å; T137-Y141 VanDerWaalsContact CG2-CE2 3.42Å; T137-Y141 WeakPolarHBondContact O-CD2 3.38Å; T137-Y141 PolarHBondContact O-N 3.3Å; I138-Y141 PolarHBondContact O-N 3.23Å; I138-Y141 VanDerWaalsContact O-N 3.1Å; W139-Y141 VanDerWaalsContact C-N 3.27Å; W139-Y141 PolarHBondContact O-N 3.22Å; Y141-V143 VanDerWaalsContact C-N 3.31Å; Y141-V143 PolarHBondContact O-N 3.44Å; Y141-Q144 WeakPolarHBondContact O-CB 3.49Å; Y141-Q144 PolarHBondContact O-N 3.33Å; Y141-I145 WeakPolarHBondContact O-CG1 3.48Å; Y141-I145 PolarHBondContact O-N 3.38Å; Y141-I169 HydrophobicContact CD1-CD1 4.37Å; Y141-I169 HydrophobicContact CD1-CG2 4.33Å; Y141-I169 HydrophobicContact CE1-CD1 4.39Å; Y141-I169 HydrophobicContact CE1-CG2 3.7Å; Y141-I169 HydrophobicContact CG-CD1 4.42Å; Y141-V175 HydrophobicContact CD1-CG2 3.57Å; Y141-V175 HydrophobicContact CE1-CG2 4.47Å; Y141-V175 HydrophobicContact CG-CG2 4.24Å; Y141-M229 HydrophobicContact CD2-CE 4.28Å
142F98.8Very high98.1Very high0 Ų024.7 Ų24.70%012%0.124CC..Hα-helixtrans-63.3-34.5-175.4-165.4-102.2000113.2I138 W139 Q144 I145 S146 L222 L225 L226 M229 L270 I288 A292I138-F142 VanDerWaalsContact O-CB 3.27Å; I138-F142 WeakPolarHBondContact O-CB 3.26Å; I138-F142 PolarHBondContact O-N 3.38Å; W139-F142 HydrophobicContact CE3-CB 4.47Å; W139-F142 HydrophobicContact CE3-CD1 4.08Å; W139-F142 AromaticContact CZ3-CD1 3.8Å; W139-F142 HydrophobicContact CZ3-CD1 3.8Å; W139-F142 HydrophobicContact CZ3-CE1 4.33Å; W139-F142 PolarHBondContact O-N 3.47Å; F142-Q144 VanDerWaalsContact C-N 3.31Å; F142-Q144 PolarHBondContact O-N 2.9Å; F142-I145 PolarHBondContact O-N 3.47Å; F142-S146 WeakPolarHBondContact CE1-OG 3.44Å; F142-S146 WeakPolarHBondContact O-CB 3.42Å; F142-S146 PolarHBondContact O-N 2.83Å; F142-S146 PolarHBondContact O-OG 2.97Å; F142-L222 HydrophobicContact CD2-CD1 4.44Å; F142-L222 HydrophobicContact CE2-CD1 3.53Å; F142-L222 HydrophobicContact CE2-CD2 4.42Å; F142-L222 HydrophobicContact CE2-CG 3.78Å; F142-L222 HydrophobicContact CZ-CD1 3.95Å; F142-L222 HydrophobicContact CZ-CD2 3.98Å; F142-L222 HydrophobicContact CZ-CG 3.74Å; F142-L225 HydrophobicContact CD2-CD2 4.31Å; F142-L225 HydrophobicContact CE2-CD2 4.43Å; F142-L226 HydrophobicContact CB-CD1 4.48Å; F142-L226 HydrophobicContact CD1-CD1 4.3Å; F142-L226 HydrophobicContact CD2-CB 4.15Å; F142-L226 HydrophobicContact CD2-CD1 3.77Å; F142-L226 HydrophobicContact CD2-CG 4.41Å; F142-L226 HydrophobicContact CE1-CD2 4.08Å; F142-L226 HydrophobicContact CE2-CB 3.62Å; F142-L226 HydrophobicContact CE2-CD1 4.02Å; F142-L226 HydrophobicContact CE2-CD2 4.23Å; F142-L226 HydrophobicContact CE2-CG 4.16Å; F142-L226 HydrophobicContact CG-CD1 3.92Å; F142-L226 HydrophobicContact CZ-CB 4.05Å; F142-L226 HydrophobicContact CZ-CD1 4.39Å; F142-L226 HydrophobicContact CZ-CD2 3.88Å; F142-L226 HydrophobicContact CZ-CG 4.33Å; F142-M229 HydrophobicContact CD2-SD 4.49Å; F142-L270 HydrophobicContact CE1-CD2 3.81Å; F142-I288 HydrophobicContact CE1-CG2 3.76Å; F142-I288 HydrophobicContact CZ-CG2 4.04Å; F142-A292 HydrophobicContact CD1-CB 3.84Å; F142-A292 HydrophobicContact CE1-CB 4.33Å
143V98.7Very high98Very high15 Ų1522.9 Ų22.99%0.09111%0.114CC..Hα-helixtrans-61.2-39.6172.869.50000112.1W139 Y141 S147 Y289 A292 K293 H296W139-V143 WeakPolarHBondContact O-CB 3.38Å; W139-V143 VanDerWaalsContact O-CG1 3.25Å; W139-V143 WeakPolarHBondContact O-CG1 3.46Å; W139-V143 PolarHBondContact O-N 3.15Å; Y141-V143 VanDerWaalsContact C-N 3.31Å; Y141-V143 PolarHBondContact O-N 3.44Å; V143-S147 VanDerWaalsContact O-CB 3.27Å; V143-S147 WeakPolarHBondContact O-CB 3.47Å; V143-S147 PolarHBondContact O-N 3.48Å; V143-Y289 HydrophobicContact CG2-CD2 4.29Å; V143-Y289 HydrophobicContact CG2-CE2 3.88Å; V143-A292 HydrophobicContact CB-CB 4.14Å; V143-A292 HydrophobicContact CG2-CB 4.37Å; V143-K293 HydrophobicContact CG2-CB 4.1Å; V143-H296 HydrophobicContact CB-CB 4.31Å; V143-H296 HydrophobicContact CG1-CB 4.25Å
144Q98.7Very high98Very high37 Ų3726.4 Ų26.417%0.17314%0.139CC..Hα-helixtrans-72.6-39.8178.9-68.6-178.877.100111.7N93 K140 Y141 F142 S147 G148 G173 V175N93-Q144 WeakPolarHBondContact CB-O 3.42Å; N93-Q144 WeakPolarHBondContact ND2-CB 3.15Å; N93-Q144 PolarHBondContact ND2-OE1 3.25Å; K140-Q144 PolarHBondContact O-NE2 2.8Å; Y141-Q144 WeakPolarHBondContact O-CB 3.49Å; Y141-Q144 PolarHBondContact O-N 3.33Å; F142-Q144 VanDerWaalsContact C-N 3.31Å; F142-Q144 PolarHBondContact O-N 2.9Å; Q144-S147 PolarHBondContact O-N 2.7Å; Q144-G148 PolarHBondContact O-N 3.42Å; Q144-G173 PolarHBondContact NE2-O 2.89Å; Q144-G173 VanDerWaalsContact NE2-O 3.08Å; Q144-V175 HydrophobicContact CB-CB 3.75Å; Q144-V175 HydrophobicContact CB-CG2 3.96Å
145I98.7Very high97.8Very high1 Ų128.1 Ų28.11%0.00514%0.141CC..Hα-helixtrans-59.3-50.6173.9-63.3169.7000109.7L119 Y141 F142 S147 G148 L149 V167 V175 L177 L222 L225 M229L119-I145 HydrophobicContact CD2-CD1 4.28Å; Y141-I145 WeakPolarHBondContact O-CG1 3.48Å; Y141-I145 PolarHBondContact O-N 3.38Å; F142-I145 PolarHBondContact O-N 3.47Å; I145-S147 VanDerWaalsContact C-N 3.32Å; I145-S147 PolarHBondContact O-N 3.42Å; I145-G148 PolarHBondContact O-N 2.94Å; I145-L149 PolarHBondContact O-N 3.31Å; I145-V167 HydrophobicContact CD1-CG1 3.79Å; I145-V167 HydrophobicContact CD1-CG2 4.42Å; I145-V167 HydrophobicContact CG1-CG1 3.89Å; I145-V175 HydrophobicContact CG1-CG1 3.7Å; I145-L177 HydrophobicContact CG2-CD2 4.16Å; I145-L222 HydrophobicContact CG2-CD1 3.56Å; I145-L225 HydrophobicContact CD1-CD2 3.76Å; I145-M229 HydrophobicContact CD1-SD 4.47Å
146S98.8Very high97.5Very high0 Ų036 Ų360%017%0.169CC..Hα-helixtrans-64.2-38.8-178.8-54.10000111.4F142 L149 D150F142-S146 WeakPolarHBondContact CE1-OG 3.44Å; F142-S146 WeakPolarHBondContact O-CB 3.42Å; F142-S146 PolarHBondContact O-N 2.83Å; F142-S146 PolarHBondContact O-OG 2.97Å; S146-L149 PolarHBondContact O-N 3.19Å; S146-D150 VanDerWaalsContact O-CB 3.28Å; S146-D150 WeakPolarHBondContact O-CB 3.46Å; S146-D150 PolarHBondContact O-N 3.17Å
147S98.8Very high97.1Very high14 Ų1431.4 Ų31.410%0.09815%0.15CC..Hα-helixtrans-60.1-45.3174.1-173.10000112.3H91 V143 Q144 I145 H151H91-S147 PolarHBondContact CE1-OG 3.15Å; H91-S147 PolarHBondContact NE2-OG 2.93Å; V143-S147 VanDerWaalsContact O-CB 3.27Å; V143-S147 WeakPolarHBondContact O-CB 3.47Å; V143-S147 PolarHBondContact O-N 3.48Å; Q144-S147 PolarHBondContact O-N 2.7Å; I145-S147 VanDerWaalsContact C-N 3.32Å; I145-S147 PolarHBondContact O-N 3.42Å; S147-H151 PolarHBondContact O-N 3.34Å; S147-H151 VanDerWaalsContact O-N 3.15Å
148G98.2Very high96.8Very high0 Ų031 Ų310%015%0.145CC..Hα-helixtrans-62.9-42.8175.900000112.8Q144 I145 H151 M152Q144-G148 PolarHBondContact O-N 3.42Å; I145-G148 PolarHBondContact O-N 2.94Å; G148-H151 PolarHBondContact O-N 3.03Å; G148-M152 WeakPolarHBondContact O-CG 3.09Å; G148-M152 PolarHBondContact O-N 3.31Å; G148-M152 VanDerWaalsContact O-N 3.13Å
149L98.3Very high96.5Very high0 Ų031 Ų310%015%0.145CC..Hα-helixtrans-71-37.6-179.9-171.463000112.3I145 S146 H151 M152 H153 H159 I162 L177 D218 L222 I285I145-L149 PolarHBondContact O-N 3.31Å; S146-L149 PolarHBondContact O-N 3.19Å; L149-H151 VanDerWaalsContact C-N 3.3Å; L149-H151 PolarHBondContact O-N 3.32Å; L149-M152 PolarHBondContact O-N 3.16Å; L149-M152 VanDerWaalsContact O-N 3.15Å; L149-H153 PolarHBondContact O-N 3.39Å; L149-H159 HydrophobicContact CD1-CB 4Å; L149-I162 HydrophobicContact CD1-CD1 3.79Å; L149-I162 HydrophobicContact CD2-CD1 3.56Å; L149-I162 HydrophobicContact CG-CD1 4.31Å; L149-L177 HydrophobicContact CB-CD1 4.04Å; L149-D218 HydrophobicContact CD1-CB 4.44Å; L149-D218 HydrophobicContact CD2-CB 4.33Å; L149-L222 HydrophobicContact CD2-CD2 3.97Å; L149-I285 HydrophobicContact CB-CD1 4.03Å; L149-I285 HydrophobicContact CB-CG1 3.91Å; L149-I285 HydrophobicContact CD2-CD1 3.74Å; L149-I285 HydrophobicContact CD2-CG1 4.04Å; L149-I285 HydrophobicContact CG-CD1 4.11Å; L149-I285 HydrophobicContact CG-CG1 3.9Å
150D98.5Very high96Very high34 Ų3432 Ų3218%0.18215%0.149CC..Hα-helixtrans-58-44.8174.3-173.664.1000110.7S146 M152 H153 S154 I285 T286 Y289S146-D150 VanDerWaalsContact O-CB 3.28Å; S146-D150 WeakPolarHBondContact O-CB 3.46Å; S146-D150 PolarHBondContact O-N 3.17Å; D150-M152 PolarHBondContact O-N 3.12Å; D150-H153 PolarHBondContact O-N 2.92Å; D150-S154 WeakPolarHBondContact O-CB 3.33Å; D150-S154 PolarHBondContact O-N 3.21Å; D150-I285 HydrophobicContact CB-CG1 3.97Å; D150-I285 HydrophobicContact CB-CG2 4.3Å; D150-T286 WeakPolarHBondContact OD1-CA 3.4Å; D150-T286 WeakPolarHBondContact OD1-CB 3.5Å; D150-T286 PolarHBondContact OD1-N 2.81Å; D150-T286 PolarHBondContact OD1-OG1 2.81Å; D150-Y289 HydrophobicContact CB-CD1 4.43Å
151H97.8Very high95.6Very high32 Ų3230 Ų3015%0.14814%0.143CC..Hα-helixtrans-60.1-46.3173.6-178.175.1000112.3D90 H91 S147 G148 L149 H153 S154 K155D90-H151 PolarHBondContact N-NE2 3.35Å; D90-H151 PolarHBondContact O-CE1 2.76Å; D90-H151 VanDerWaalsContact O-CE1 3.29Å; D90-H151 PolarHBondContact O-NE2 2.87Å; D90-H151 VanDerWaalsContact O-NE2 3.14Å; H91-H151 HydrophobicContact CB-CB 4.24Å; H91-H151 VanDerWaalsContact CB-CD2 3.46Å; H91-H151 WeakPolarHBondContact CB-CD2 3.46Å; H91-H151 AromaticContact CD2-CG 3.88Å; H91-H151 AromaticContact CG-CG 3.96Å; S147-H151 PolarHBondContact O-N 3.34Å; S147-H151 VanDerWaalsContact O-N 3.15Å; G148-H151 PolarHBondContact O-N 3.03Å; L149-H151 VanDerWaalsContact C-N 3.3Å; L149-H151 PolarHBondContact O-N 3.32Å; H151-H153 PolarHBondContact O-N 3.32Å; H151-S154 PolarHBondContact O-N 3.01Å; H151-S154 PolarHBondContact O-OG 2.93Å; H151-K155 WeakPolarHBondContact O-CG 3.46Å; H151-K155 PolarHBondContact O-N 3.28Å
152M95.8Very high95.3Very high0 Ų029.1 Ų29.10%014%0.139CC..Hα-helixtrans-59-48.7177.8-68.4179.971.300111.9L89 V94 G148 L149 D150 S154 K155 R156 I157 H159 L177 L180L89-M152 HydrophobicContact CD1-CE 4.33Å; L89-M152 HydrophobicContact CD1-CG 4.25Å; L89-M152 HydrophobicContact CD2-CB 4.34Å; L89-M152 HydrophobicContact CD2-CG 3.84Å; V94-M152 HydrophobicContact CG2-CG 4.2Å; G148-M152 WeakPolarHBondContact O-CG 3.09Å; G148-M152 PolarHBondContact O-N 3.31Å; G148-M152 VanDerWaalsContact O-N 3.13Å; L149-M152 PolarHBondContact O-N 3.16Å; L149-M152 VanDerWaalsContact O-N 3.15Å; D150-M152 PolarHBondContact O-N 3.12Å; M152-S154 VanDerWaalsContact C-N 3.32Å; M152-S154 PolarHBondContact O-N 3.12Å; M152-K155 CarbonylContact O-C 3.5Å; M152-K155 WeakPolarHBondContact O-CA 3.06Å; M152-K155 PolarHBondContact O-N 3.09Å; M152-R156 PolarHBondContact O-N 3.06Å; M152-I157 CarbonylContact C-O 3.57Å; M152-I157 VanDerWaalsContact C-O 3.24Å; M152-I157 HydrophobicContact CB-CB 4.45Å; M152-I157 HydrophobicContact CE-CG2 3.8Å; M152-I157 PolarHBondContact O-N 2.76Å; M152-H159 HydrophobicContact CE-CB 3.92Å; M152-H159 HydrophobicContact SD-CB 4.31Å; M152-L177 HydrophobicContact SD-CD1 4.28Å; M152-L180 HydrophobicContact CE-CB 4.41Å; M152-L180 HydrophobicContact CE-CD2 3.86Å; M152-L180 HydrophobicContact SD-CD2 4Å
153H95.7Very high95.1Very high23 Ų2331.9 Ų31.911%0.10615%0.151CC..Hα-helixtrans-64.8-36.5179.7-75.9-156.4000111.8L149 D150 H151 K155 R156 I157 F215 D218 I285L149-H153 PolarHBondContact O-N 3.39Å; D150-H153 PolarHBondContact O-N 2.92Å; H151-H153 PolarHBondContact O-N 3.32Å; H153-K155 PolarHBondContact O-N 3.13Å; H153-R156 WeakPolarHBondContact O-CA 3.36Å; H153-R156 PolarHBondContact O-N 3.02Å; H153-I157 PolarHBondContact CD2-O 3.5Å; H153-F215 HydrophobicContact CB-CD1 4.25Å; H153-F215 HydrophobicContact CB-CE1 4.48Å; H153-F215 AromaticContact CD2-CD1 3.68Å; H153-F215 AromaticContact CE1-CD1 3.82Å; H153-F215 PolarHBondContact CE1-O 2.91Å; H153-F215 AromaticContact CG-CD1 3.66Å; H153-F215 AromaticContact ND1-CD1 3.75Å; H153-F215 AromaticContact NE2-CD1 3.76Å; H153-D218 IonicContact CD2-OD2 3.79Å; H153-D218 IonicContact CE1-OD2 3.8Å; H153-D218 IonicContact NE2-OD2 2.84Å; H153-D218 PolarHBondContact NE2-OD2 3.45Å; H153-I285 HydrophobicContact CB-CG2 3.67Å; H153-I285 VanDerWaalsContact ND1-CG2 3.35Å; H153-I285 WeakPolarHBondContact ND1-CG2 3.24Å
154S96.3Very high94.9Very high75 Ų7531.2 Ų31.252%0.52415%0.147SC..Hα-helixtrans-60.3-28.7173.985.30000112.8D150 H151 M152 R156D150-S154 WeakPolarHBondContact O-CB 3.33Å; D150-S154 PolarHBondContact O-N 3.21Å; H151-S154 PolarHBondContact O-N 3.01Å; H151-S154 PolarHBondContact O-OG 2.93Å; M152-S154 VanDerWaalsContact C-N 3.32Å; M152-S154 PolarHBondContact O-N 3.12Å; S154-R156 VanDerWaalsContact C-N 3.33Å
155K94Very high94.5Very high89 Ų8931.5 Ų31.539%0.38716%0.156SC..THydrogen-bonded Turntrans-91.49.9174.7-58-54.9-178-174.40113.3L89 H151 M152 H153 I157L89-K155 HydrophobicContact CD2-CB 4.45Å; L89-K155 HydrophobicContact CD2-CG 4.37Å; H151-K155 WeakPolarHBondContact O-CG 3.46Å; H151-K155 PolarHBondContact O-N 3.28Å; M152-K155 CarbonylContact O-C 3.5Å; M152-K155 WeakPolarHBondContact O-CA 3.06Å; M152-K155 PolarHBondContact O-N 3.09Å; H153-K155 PolarHBondContact O-N 3.13Å; K155-I157 VanDerWaalsContact C-N 3.28Å; K155-I157 HydrophobicContact CB-CD1 3.95Å; K155-I157 HydrophobicContact CB-CG1 4.34Å; K155-I157 PolarHBondContact O-N 2.88Å
156R91.2Very high94.3Very high192 Ų19232.2 Ų32.273%0.72516%0.16SC*.THydrogen-bonded Turntrans60.833-176.1-56.1-67.6-167.3170.71.7113.3M152 H153 S154 F215M152-R156 PolarHBondContact O-N 3.06Å; H153-R156 WeakPolarHBondContact O-CA 3.36Å; H153-R156 PolarHBondContact O-N 3.02Å; S154-R156 VanDerWaalsContact C-N 3.33Å; R156-F215 HydrophobicContact CB-CZ 4.35Å
157I90.6Very high94.1Very high4 Ų432.2 Ų32.22%0.02116%0.16CC..  trans-111.1127.4178.6-60.9164000108.7L85 L86 L89 M152 H153 K155L85-I157 HydrophobicContact CB-CD1 3.8Å; L85-I157 HydrophobicContact CB-CG1 3.78Å; L85-I157 HydrophobicContact CD1-CG1 4.47Å; L85-I157 WeakPolarHBondContact O-CD1 3.43Å; L86-I157 HydrophobicContact CD2-CG2 4.23Å; L89-I157 HydrophobicContact CD1-CD1 3.97Å; L89-I157 HydrophobicContact CD1-CG2 4.46Å; L89-I157 HydrophobicContact CD2-CD1 3.73Å; L89-I157 HydrophobicContact CG-CD1 3.68Å; M152-I157 CarbonylContact C-O 3.57Å; M152-I157 VanDerWaalsContact C-O 3.24Å; M152-I157 HydrophobicContact CB-CB 4.45Å; M152-I157 HydrophobicContact CE-CG2 3.8Å; M152-I157 PolarHBondContact O-N 2.76Å; H153-I157 PolarHBondContact CD2-O 3.5Å; K155-I157 VanDerWaalsContact C-N 3.28Å; K155-I157 HydrophobicContact CB-CD1 3.95Å; K155-I157 HydrophobicContact CB-CG1 4.34Å; K155-I157 PolarHBondContact O-N 2.88Å
158M90.7Very high94Very high27 Ų2734.1 Ų34.113%0.13317%0.166CC..  trans-92146.1170.3-65.8173.2-8200109.7R160 Y213 D214 F215 D218M158-R160 HydrophobicContact CB-CG 3.81Å; M158-Y213 HydrophobicContact SD-CD1 3.93Å; M158-Y213 HydrophobicContact SD-CE1 4.49Å; M158-D214 VanDerWaalsContact SD-CA 3.57Å; M158-F215 HydrophobicContact CG-CD1 3.55Å; M158-F215 HydrophobicContact CG-CE1 3.61Å; M158-F215 HydrophobicContact CG-CG 4.05Å; M158-F215 HydrophobicContact CG-CZ 4.15Å; M158-D218 VanDerWaalsContact CA-OD2 3.3Å; M158-D218 WeakPolarHBondContact CA-OD2 3.34Å
159H92Very high93.8Very high1 Ų134.8 Ų34.81%0.00517%0.17CC..  trans-81-42.9177.6-172-50.8000112.3L149 M152 D161 I162 G178 G181 D218L149-H159 HydrophobicContact CD1-CB 4Å; M152-H159 HydrophobicContact CE-CB 3.92Å; M152-H159 HydrophobicContact SD-CB 4.31Å; H159-D161 PolarHBondContact CE1-O 3.2Å; H159-D161 PolarHBondContact ND1-N 3.22Å; H159-D161 PolarHBondContact O-N 2.78Å; H159-D161 VanDerWaalsContact O-N 3.1Å; H159-I162 HydrophobicContact CB-CD1 4.07Å; H159-I162 HydrophobicContact CB-CG1 3.73Å; H159-G178 PolarHBondContact CE1-O 3.37Å; H159-G178 PolarHBondContact NE2-O 2.98Å; H159-G181 VanDerWaalsContact O-CA 3.24Å; H159-G181 WeakPolarHBondContact O-CA 3.39Å; H159-G181 PolarHBondContact O-N 3.03Å; H159-D218 PolarHBondContact N-OD1 3.03Å; H159-D218 PolarHBondContact N-OD2 3.09Å
160R89.1Confident93.5Very high21 Ų2136.7 Ų36.78%0.07918%0.18CC..SBendtrans68.3-3.2174.4-46.9-169.9-175.8131-1.7118.2E82 M158 G181 R207 Y213 D218E82-R160 IonicContact OE1-CZ 3.36Å; E82-R160 IonicContact OE1-NH1 2.66Å; E82-R160 PolarHBondContact OE1-NH1 2.96Å; E82-R160 IonicContact OE1-NH2 3.55Å; E82-R160 IonicContact OE2-CZ 3.32Å; E82-R160 VanDerWaalsContact OE2-CZ 3.32Å; E82-R160 IonicContact OE2-NH1 2.82Å; E82-R160 PolarHBondContact OE2-NH1 3.37Å; E82-R160 IonicContact OE2-NH2 2.88Å; E82-R160 PolarHBondContact OE2-NH2 3.45Å; M158-R160 HydrophobicContact CB-CG 3.81Å; R160-G181 PolarHBondContact NH1-O 2.81Å; R160-R207 PolarHBondContact O-NH1 3.34Å; R160-R207 VanDerWaalsContact O-NH1 3.14Å; R160-Y213 HydrophobicContact CB-CD1 4.38Å; R160-Y213 HydrophobicContact CB-CE1 3.97Å; R160-Y213 HydrophobicContact CG-CD1 3.85Å; R160-Y213 HydrophobicContact CG-CE1 3.73Å; R160-D218 PolarHBondContact N-OD1 3.27Å
161D87.8Confident93Very high44 Ų4441.7 Ų41.724%0.23521%0.212CC..  trans-151.544.7-178.2-163.427.5000111.4H159 K163 N166H159-D161 PolarHBondContact CE1-O 3.2Å; H159-D161 PolarHBondContact ND1-N 3.22Å; H159-D161 PolarHBondContact O-N 2.78Å; H159-D161 VanDerWaalsContact O-N 3.1Å; D161-K163 PolarHBondContact O-N 3.47Å; D161-K163 IonicContact OD1-NZ 3.24Å; D161-K163 PolarHBondContact OD1-NZ 2.81Å; D161-K163 WeakPolarHBondContact OD2-CE 3.49Å; D161-K163 IonicContact OD2-NZ 2.74Å; D161-K163 PolarHBondContact OD2-NZ 2.98Å; D161-N166 VanDerWaalsContact CG-ND2 3.31Å; D161-N166 PolarHBondContact O-ND2 2.92Å; D161-N166 PolarHBondContact OD2-ND2 3.13Å
162I93.8Very high92.7Very high2 Ų248.1 Ų48.11%0.0124%0.239CC..  trans-70.5115.4175.1-61.5171.9000108.3L149 H159 D218 L225L149-I162 HydrophobicContact CD1-CD1 3.79Å; L149-I162 HydrophobicContact CD2-CD1 3.56Å; L149-I162 HydrophobicContact CG-CD1 4.31Å; H159-I162 HydrophobicContact CB-CD1 4.07Å; H159-I162 HydrophobicContact CB-CG1 3.73Å; I162-D218 HydrophobicContact CD1-CB 3.82Å; I162-L225 HydrophobicContact CG2-CD1 3.92Å
163K93.2Very high92.6Very high58 Ų5848.4 Ų48.425%0.25224%0.242SC..SBendtrans-157.5158.7175.662.6-169.1178.3-144.60109.8D161 A165 N166 Y202D161-K163 PolarHBondContact O-N 3.47Å; D161-K163 IonicContact OD1-NZ 3.24Å; D161-K163 PolarHBondContact OD1-NZ 2.81Å; D161-K163 WeakPolarHBondContact OD2-CE 3.49Å; D161-K163 IonicContact OD2-NZ 2.74Å; D161-K163 PolarHBondContact OD2-NZ 2.98Å; K163-A165 HydrophobicContact CG-CB 4.35Å; K163-A165 PolarHBondContact O-N 3Å; K163-A165 VanDerWaalsContact O-N 3.08Å; K163-N166 WeakPolarHBondContact CE-ND2 3.44Å; K163-N166 HydrophobicContact CG-CB 4.17Å; K163-N166 PolarHBondContact O-N 3.45Å; K163-Y202 HydrophobicContact CB-CD1 4.46Å; K163-Y202 HydrophobicContact CB-CD2 3.56Å; K163-Y202 HydrophobicContact CB-CE1 4.4Å; K163-Y202 HydrophobicContact CB-CE2 3.46Å; K163-Y202 VanDerWaalsContact CB-CE2 3.46Å; K163-Y202 HydrophobicContact CB-CG 4.09Å
164P94.8Very high92.6Very high1 Ų152.1 Ų52.11%0.00626%0.259CS..G310 helixtrans-54.8-31.6-178.6-27.935.9000114.8L119 S120 I123 N166 V167 Y202L119-P164 HydrophobicContact CB-CB 4.07Å; L119-P164 WeakPolarHBondContact CB-O 3.48Å; L119-P164 HydrophobicContact CD2-CB 4.34Å; L119-P164 HydrophobicContact CG-CB 4.13Å; L119-P164 PolarHBondContact N-O 3.43Å; S120-P164 PolarHBondContact N-O 3.22Å; I123-P164 HydrophobicContact CD1-CB 3.89Å; I123-P164 HydrophobicContact CD1-CG 3.87Å; P164-N166 PolarHBondContact O-N 3Å; P164-V167 PolarHBondContact O-N 2.81Å; P164-Y202 WeakPolarHBondContact CD-OH 3.42Å; P164-Y202 HydrophobicContact CG-CE1 4.38Å
165A91.5Very high92.6Very high43 Ų4348.5 Ų48.536%0.35523%0.234SC..G310 helixtrans-69.1-20.6177.500000113.8K163K163-A165 HydrophobicContact CG-CB 4.35Å; K163-A165 PolarHBondContact O-N 3Å; K163-A165 VanDerWaalsContact O-N 3.08Å
166N92.5Very high92.7Very high16 Ų1645.7 Ų45.79%0.08622%0.222CC..G310 helixtrans-101.58.4178.9-70.5-5.3000112.5D161 K163 P164 G178D161-N166 VanDerWaalsContact CG-ND2 3.31Å; D161-N166 PolarHBondContact O-ND2 2.92Å; D161-N166 PolarHBondContact OD2-ND2 3.13Å; K163-N166 WeakPolarHBondContact CE-ND2 3.44Å; K163-N166 HydrophobicContact CG-CB 4.17Å; K163-N166 PolarHBondContact O-N 3.45Å; P164-N166 PolarHBondContact O-N 3Å; N166-G178 PolarHBondContact O-N 3.45Å
167V96.1Very high93Very high1 Ų136.6 Ų36.61%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-110.299.6175.7177.30000108.3D118 L119 I145 P164 V175 L177 L225D118-V167 CarbonylContact C-O 3.52Å; D118-V167 VanDerWaalsContact CA-O 3.24Å; D118-V167 WeakPolarHBondContact CA-O 3.46Å; L119-V167 HydrophobicContact CB-CB 3.91Å; L119-V167 HydrophobicContact CB-CG1 4.01Å; L119-V167 HydrophobicContact CD2-CB 4.28Å; L119-V167 HydrophobicContact CD2-CG1 4.15Å; L119-V167 PolarHBondContact N-O 3.49Å; I145-V167 HydrophobicContact CD1-CG1 3.79Å; I145-V167 HydrophobicContact CD1-CG2 4.42Å; I145-V167 HydrophobicContact CG1-CG1 3.89Å; P164-V167 PolarHBondContact O-N 2.81Å; V167-V175 HydrophobicContact CG1-CG1 3.49Å; V167-V175 VanDerWaalsContact CG1-CG1 3.49Å; V167-L177 HydrophobicContact CG2-CD2 4.01Å; V167-L225 HydrophobicContact CG2-CD1 3.7Å
168F96Very high93Very high53 Ų5336.5 Ų36.523%0.23219%0.187CC..EExtended strand (participates in β ladder)trans-83.6140-179.2-58.9-78.2000110.9I95 A114 G117 D118 V175 K176I95-F168 HydrophobicContact CD1-CD2 4.24Å; I95-F168 HydrophobicContact CG1-CD2 4.22Å; A114-F168 HydrophobicContact CB-CB 3.55Å; A114-F168 HydrophobicContact CB-CD1 3.49Å; A114-F168 VanDerWaalsContact CB-CD1 3.49Å; A114-F168 HydrophobicContact CB-CD2 3.79Å; A114-F168 HydrophobicContact CB-CE1 4.11Å; A114-F168 HydrophobicContact CB-CE2 4.38Å; A114-F168 HydrophobicContact CB-CG 3.29Å; G117-F168 WeakPolarHBondContact O-CA 3.3Å; D118-F168 HydrophobicContact CB-CD1 4.33Å; F168-V175 CarbonylContact O-C 3.46Å; F168-V175 VanDerWaalsContact O-CA 3.24Å; F168-V175 WeakPolarHBondContact O-CA 3.36Å; F168-K176 HydrophobicContact CB-CB 4.49Å; F168-K176 PolarHBondContact N-O 3.35Å; F168-K176 PolarHBondContact O-N 3.29Å
169I95.2Very high92.5Very high15 Ų1537.8 Ų37.88%0.07720%0.195CC..EExtended strand (participates in β ladder)trans-129.4120.4-179.5-53.3177.7000108A116 G117 L119 M122 Y141 Q174 V175A116-I169 CarbonylContact C-O 3.55Å; A116-I169 VanDerWaalsContact C-O 3.29Å; G117-I169 PolarHBondContact O-N 3.1Å; L119-I169 HydrophobicContact CB-CD1 4.07Å; L119-I169 HydrophobicContact CD1-CD1 3.82Å; M122-I169 HydrophobicContact SD-CD1 4.23Å; Y141-I169 HydrophobicContact CD1-CD1 4.37Å; Y141-I169 HydrophobicContact CD1-CG2 4.33Å; Y141-I169 HydrophobicContact CE1-CD1 4.39Å; Y141-I169 HydrophobicContact CE1-CG2 3.7Å; Y141-I169 HydrophobicContact CG-CD1 4.42Å; I169-Q174 WeakPolarHBondContact CA-O 3.25Å; I169-V175 HydrophobicContact CG1-CG2 4.37Å
170N91.8Very high91.7Very high40 Ų4038.1 Ų38.121%0.21420%0.197CC..  trans-85.7171.9178.57911.6000114.7A116 K172 G173 Q174A116-N170 HydrophobicContact CB-CB 3.75Å; N170-K172 PolarHBondContact O-N 3.06Å; N170-K172 VanDerWaalsContact O-N 3.09Å; N170-K172 WeakPolarHBondContact OD1-CA 3.37Å; N170-K172 WeakPolarHBondContact OD1-CB 3.41Å; N170-K172 PolarHBondContact OD1-N 3.21Å; N170-G173 WeakPolarHBondContact O-CA 3.39Å; N170-G173 PolarHBondContact O-N 2.85Å; N170-G173 PolarHBondContact OD1-N 3.44Å; N170-Q174 PolarHBondContact N-O 3.29Å; N170-Q174 PolarHBondContact ND2-OE1 3.03Å; N170-Q174 WeakPolarHBondContact OD1-CB 3.36Å; N170-Q174 PolarHBondContact OD1-N 3.14Å
171V88Confident90.6Very high139 Ų13937.1 Ų37.184%0.84219%0.193SC*.THydrogen-bonded Turntrans-59.2-22.9179.5-61.80000113.5A116 G173A116-V171 HydrophobicContact CB-CG1 4.33Å; V171-G173 VanDerWaalsContact C-N 3.29Å
172K91.1Very high89.6Confident167 Ų16735.3 Ų35.373%0.72618%0.184SC*.THydrogen-bonded Turntrans-84.7-4.8174.5-58.7178.9-177.7174.40112.3N170 Q174N170-K172 PolarHBondContact O-N 3.06Å; N170-K172 VanDerWaalsContact O-N 3.09Å; N170-K172 WeakPolarHBondContact OD1-CA 3.37Å; N170-K172 WeakPolarHBondContact OD1-CB 3.41Å; N170-K172 PolarHBondContact OD1-N 3.21Å; K172-Q174 HydrophobicContact CB-CG 4.32Å
173G92.8Very high88Confident6 Ų636.6 Ų36.66%0.06220%0.197CC..  trans78.719.9-176.500000114.2Q144 N170 V171Q144-G173 PolarHBondContact NE2-O 2.89Å; Q144-G173 VanDerWaalsContact NE2-O 3.08Å; N170-G173 WeakPolarHBondContact O-CA 3.39Å; N170-G173 PolarHBondContact O-N 2.85Å; N170-G173 PolarHBondContact OD1-N 3.44Å; V171-G173 VanDerWaalsContact C-N 3.29Å
174Q95.5Very high86.6Confident100 Ų10039.4 Ų39.447%0.46721%0.206SC..  trans-80.9133.5173.4-57.9174-5800109.4I169 N170 K172I169-Q174 WeakPolarHBondContact CA-O 3.25Å; N170-Q174 PolarHBondContact N-O 3.29Å; N170-Q174 PolarHBondContact ND2-OE1 3.03Å; N170-Q174 WeakPolarHBondContact OD1-CB 3.36Å; N170-Q174 PolarHBondContact OD1-N 3.14Å; K172-Q174 HydrophobicContact CB-CG 4.32Å
175V97.3Very high85Confident0 Ų040.8 Ų40.80%021%0.211CC..EExtended strand (participates in β ladder)trans-99.2142.8-179.5-179.40000110.6N93 Y141 Q144 I145 V167 F168 I169N93-V175 VanDerWaalsContact CA-O 3.27Å; N93-V175 WeakPolarHBondContact CA-O 3.33Å; N93-V175 PolarHBondContact ND2-O 3.17Å; Y141-V175 HydrophobicContact CD1-CG2 3.57Å; Y141-V175 HydrophobicContact CE1-CG2 4.47Å; Y141-V175 HydrophobicContact CG-CG2 4.24Å; Q144-V175 HydrophobicContact CB-CB 3.75Å; Q144-V175 HydrophobicContact CB-CG2 3.96Å; I145-V175 HydrophobicContact CG1-CG1 3.7Å; V167-V175 HydrophobicContact CG1-CG1 3.49Å; V167-V175 VanDerWaalsContact CG1-CG1 3.49Å; F168-V175 CarbonylContact O-C 3.46Å; F168-V175 VanDerWaalsContact O-CA 3.24Å; F168-V175 WeakPolarHBondContact O-CA 3.36Å; I169-V175 HydrophobicContact CG1-CG2 4.37Å
176K96.6Very high83.2Confident30 Ų3039.3 Ų39.313%0.1320%0.197CC..EExtended strand (participates in β ladder)trans-134.2128.6169.3-74.3176.4169.2-87.20111.3P92 V94 I95 E112 F168P92-K176 PolarHBondContact O-NZ 3.36Å; V94-K176 PolarHBondContact O-NZ 3.48Å; I95-K176 HydrophobicContact CD1-CB 3.91Å; I95-K176 HydrophobicContact CD1-CD 3.92Å; I95-K176 HydrophobicContact CG1-CB 4.11Å; E112-K176 WeakPolarHBondContact OE1-CE 3.48Å; E112-K176 IonicContact OE1-NZ 2.66Å; E112-K176 PolarHBondContact OE1-NZ 3.08Å; E112-K176 IonicContact OE2-NZ 2.7Å; E112-K176 PolarHBondContact OE2-NZ 3.02Å; F168-K176 HydrophobicContact CB-CB 4.49Å; F168-K176 PolarHBondContact N-O 3.35Å; F168-K176 PolarHBondContact O-N 3.29Å
177L95.7Very high81.3Confident1 Ų139.9 Ų39.91%0.00520%0.202CC..EExtended strand (participates in β ladder)trans-73.9128.5166.1-72.6174.4000110N93 I95 I145 L149 M152 V167N93-L177 PolarHBondContact O-N 3.04Å; I95-L177 WeakPolarHBondContact CB-O 3.3Å; I95-L177 VanDerWaalsContact CG1-O 3.3Å; I95-L177 WeakPolarHBondContact CG1-O 3.45Å; I95-L177 PolarHBondContact N-O 3.08Å; I145-L177 HydrophobicContact CG2-CD2 4.16Å; L149-L177 HydrophobicContact CB-CD1 4.04Å; M152-L177 HydrophobicContact SD-CD1 4.28Å; V167-L177 HydrophobicContact CG2-CD2 4.01Å
178G90.9Very high78.9Confident1 Ų141 Ų411%0.0121%0.21CC..  trans-130.5-176.5174.900000113.7H159 N166H159-G178 PolarHBondContact CE1-O 3.37Å; H159-G178 PolarHBondContact NE2-O 2.98Å; N166-G178 PolarHBondContact O-N 3.45Å
179D81.3Confident76.7Confident54 Ų5447.5 Ų47.529%0.28924%0.238SC..SBendtrans5355.8-168.7-154.215.5000113.4K63 G181K63-D179 IonicContact NZ-OD1 3.92Å; K63-D179 PolarHBondContact NZ-OD1 3.33Å; D179-G181 PolarHBondContact O-N 3.38Å
180L75Confident74.7Confident8 Ų850.3 Ų50.34%0.04226%0.256CS..  trans-70.8106.8-168.8-51.5174.2000112.3L86 L89 V94 M152 L182L86-L180 HydrophobicContact CD2-CB 3.67Å; L86-L180 HydrophobicContact CD2-CD1 4.28Å; L89-L180 HydrophobicContact CD1-CD1 3.93Å; V94-L180 HydrophobicContact CG1-CD1 3.82Å; V94-L180 HydrophobicContact CG1-CD2 3.78Å; V94-L180 HydrophobicContact CG1-CG 4.47Å; M152-L180 HydrophobicContact CE-CB 4.41Å; M152-L180 HydrophobicContact CE-CD2 3.86Å; M152-L180 HydrophobicContact SD-CD2 4Å; L180-L182 WeakPolarHBondContact O-CG 3.22Å; L180-L182 PolarHBondContact O-N 3.37Å
181G65.7Low72.7Confident1 Ų150.2 Ų50.21%0.0126%0.255CS..SBendtrans69.5-25.3156.300000118.4H159 R160 D179 G183H159-G181 VanDerWaalsContact O-CA 3.24Å; H159-G181 WeakPolarHBondContact O-CA 3.39Å; H159-G181 PolarHBondContact O-N 3.03Å; R160-G181 PolarHBondContact NH1-O 2.81Å; D179-G181 PolarHBondContact O-N 3.38Å; G181-G183 VanDerWaalsContact C-N 3.27Å; G181-G183 PolarHBondContact O-N 2.96Å
182L66.1Low70.7Confident6 Ų646.7 Ų46.73%0.03124%0.24CC..G310 helixtrans-71.6-19.8-170.1-68.6169.9000113.5K63 I65 I83 L86 I109 L180 R184 Y185 F186K63-L182 HydrophobicContact CD-CD1 4.47Å; I65-L182 HydrophobicContact CD1-CD1 4.48Å; I83-L182 HydrophobicContact CG1-CD2 4.1Å; L86-L182 HydrophobicContact CD1-CD1 4.02Å; L86-L182 HydrophobicContact CD1-CD2 3.97Å; L86-L182 HydrophobicContact CD1-CG 3.88Å; I109-L182 HydrophobicContact CD1-CD1 3.32Å; I109-L182 HydrophobicContact CD1-CD2 4.35Å; I109-L182 HydrophobicContact CD1-CG 4.47Å; L180-L182 WeakPolarHBondContact O-CG 3.22Å; L180-L182 PolarHBondContact O-N 3.37Å; L182-R184 PolarHBondContact O-N 3.14Å; L182-Y185 PolarHBondContact O-N 2.95Å; L182-F186 HydrophobicContact CB-CD2 4.14Å; L182-F186 HydrophobicContact CB-CE2 3.96Å; L182-F186 HydrophobicContact CD2-CE2 4.32Å; L182-F186 WeakPolarHBondContact O-CD2 3.37Å
183G60.1Low68.6Low29 Ų2939.6 Ų39.630%0.29921%0.213SC..G310 helixtrans-54.6-25.9-177.200000114.3G181 Y185 F186 S187G181-G183 VanDerWaalsContact C-N 3.27Å; G181-G183 PolarHBondContact O-N 2.96Å; G183-Y185 PolarHBondContact O-N 3.28Å; G183-F186 CarbonylContact O-C 3.29Å; G183-F186 PolarHBondContact O-N 3.3Å; G183-S187 WeakPolarHBondContact O-CB 3.41Å; G183-S187 PolarHBondContact O-N 3.15Å
184R64.7Low66.5Low117 Ų11741.5 Ų41.544%0.44222%0.22SC..G310 helixtrans-70.3-29.9-178.486.4165.5-177.117312.9114.6E82 L182 F186E82-R184 IonicContact OE2-NE 3.78Å; L182-R184 PolarHBondContact O-N 3.14Å; R184-F186 VanDerWaalsContact C-N 3.32Å
185Y60.4Low64.4Low29 Ų2939.7 Ų39.711%0.11422%0.219CC..THydrogen-bonded Turntrans-83.4-20.5-179.1-58.6-72.3000111.5D78 C79 E82 L182 G183D78-Y185 HydrophobicContact CB-CE1 3.6Å; D78-Y185 PolarHBondContact O-OH 3.17Å; C79-Y185 HydrophobicContact CB-CD1 4.28Å; C79-Y185 HydrophobicContact CB-CD2 4.1Å; C79-Y185 HydrophobicContact CB-CE2 4.4Å; C79-Y185 HydrophobicContact CB-CG 4.03Å; E82-Y185 HydrophobicContact CB-CE2 3.98Å; E82-Y185 HydrophobicContact CG-CE2 4.37Å; E82-Y185 WeakPolarHBondContact OE2-CE2 3.27Å; E82-Y185 VanDerWaalsContact OE2-CZ 3.27Å; E82-Y185 PolarHBondContact OE2-OH 3.11Å; L182-Y185 PolarHBondContact O-N 2.95Å; G183-Y185 PolarHBondContact O-N 3.28Å
186F54.2Low61.7Low13 Ų1347 Ų476%0.05726%0.257CS..SBendtrans-118.211.7-171.8-50.3-52.5000112.1F45 I65 M70 C79 L182 G183 R184F45-F186 HydrophobicContact CB-CB 4.05Å; F45-F186 HydrophobicContact CB-CD1 4.03Å; F45-F186 HydrophobicContact CB-CG 4.42Å; F45-F186 HydrophobicContact CD2-CB 4.44Å; F45-F186 VanDerWaalsContact CD2-O 3.32Å; F45-F186 WeakPolarHBondContact CD2-O 3.42Å; I65-F186 HydrophobicContact CB-CE1 4.5Å; I65-F186 HydrophobicContact CB-CZ 4.33Å; I65-F186 HydrophobicContact CD1-CD2 4.36Å; I65-F186 HydrophobicContact CD1-CE2 3.61Å; I65-F186 HydrophobicContact CD1-CZ 3.83Å; I65-F186 HydrophobicContact CG1-CE2 4.21Å; I65-F186 HydrophobicContact CG1-CZ 4.29Å; I65-F186 HydrophobicContact CG2-CD1 3.72Å; I65-F186 HydrophobicContact CG2-CD2 4.43Å; I65-F186 HydrophobicContact CG2-CE1 3.1Å; I65-F186 HydrophobicContact CG2-CE2 3.92Å; I65-F186 HydrophobicContact CG2-CG 4.36Å; I65-F186 HydrophobicContact CG2-CZ 3.22Å; M70-F186 HydrophobicContact CE-CE1 4.3Å; M70-F186 HydrophobicContact SD-CD1 4.4Å; M70-F186 HydrophobicContact SD-CE1 3.67Å; C79-F186 WeakPolarHBondContact SG-CZ 3.47Å; L182-F186 HydrophobicContact CB-CD2 4.14Å; L182-F186 HydrophobicContact CB-CE2 3.96Å; L182-F186 HydrophobicContact CD2-CE2 4.32Å; L182-F186 WeakPolarHBondContact O-CD2 3.37Å; G183-F186 CarbonylContact O-C 3.29Å; G183-F186 PolarHBondContact O-N 3.3Å; R184-F186 VanDerWaalsContact C-N 3.32Å
187S52.3Low59.5Low27 Ų2751.4 Ų51.419%0.18929%0.286CS..SBendtrans-103.7133.6165.8-175.90000107.3G183 K189 H194G183-S187 WeakPolarHBondContact O-CB 3.41Å; G183-S187 PolarHBondContact O-N 3.15Å; S187-K189 PolarHBondContact O-N 3.16Å; S187-H194 PolarHBondContact OG-CE1 2.65Å; S187-H194 PolarHBondContact OG-NE2 3.43Å
188S46.8Very low57.7Low25 Ų2553.2 Ų53.218%0.17531%0.305CS..  trans-47.2130.9163.727.80000109.6Q44 T190 A193Q44-S188 PolarHBondContact OE1-OG 3.44Å; S188-T190 PolarHBondContact O-N 3.2Å; S188-A193 WeakPolarHBondContact OG-CB 3.45Å
189K49.8Very low56.6Low189 Ų18956.4 Ų56.482%0.82232%0.324SS*.SBendtrans-62.7-5.3-173-73-176178.31770113.9D72 S187D72-K189 IonicContact OD2-NZ 3.92Å; S187-K189 PolarHBondContact O-N 3.16Å
190T51.5Low56.7Low74 Ų7454.9 Ų54.945%0.45432%0.317SS..SBendtrans-110.8136.9-172.248.10000111.9S188 A192 A193 H194S188-T190 PolarHBondContact O-N 3.2Å; T190-A192 PolarHBondContact O-N 2.98Å; T190-A192 VanDerWaalsContact O-N 3.14Å; T190-A193 PolarHBondContact O-N 2.9Å; T190-H194 PolarHBondContact O-N 2.8Å
191M51Low57.4Low39 Ų3956.8 Ų56.819%0.19232%0.324CS..Hα-helixtrans-52.1-33.9169.4-72.6-169.568.900112.5A193 H194 S195 M203 I208 L243 C247M191-A193 PolarHBondContact O-N 3.15Å; M191-H194 WeakPolarHBondContact O-CB 2.86Å; M191-H194 PolarHBondContact O-N 2.86Å; M191-H194 VanDerWaalsContact O-N 3.17Å; M191-S195 PolarHBondContact O-N 3.37Å; M191-S195 VanDerWaalsContact O-N 3.11Å; M191-M203 HydrophobicContact CE-SD 4.07Å; M191-I208 HydrophobicContact CE-CB 4.34Å; M191-I208 HydrophobicContact CE-CG1 4.03Å; M191-I208 HydrophobicContact CE-CG2 4.05Å; M191-I208 HydrophobicContact SD-CB 4.38Å; M191-I208 HydrophobicContact SD-CG2 4.09Å; M191-L243 HydrophobicContact CE-CD1 4.47Å; M191-C247 WeakPolarHBondContact CE-SG 3.45Å
192A45.7Very low58.7Low64 Ų6458.5 Ų58.553%0.52933%0.331SS..Hα-helixtrans-56.2-38.2176.200000112.2T190 S195T190-A192 PolarHBondContact O-N 2.98Å; T190-A192 VanDerWaalsContact O-N 3.14Å; A192-S195 WeakPolarHBondContact O-CB 3.41Å; A192-S195 PolarHBondContact O-N 3Å; A192-S195 PolarHBondContact O-OG 3.14Å
193A48.2Very low59.8Low18 Ų1858.8 Ų58.815%0.14933%0.332CS..Hα-helixtrans-82.9-24-178.900000112.9S188 T190 M191 S195 L196 V197S188-A193 WeakPolarHBondContact OG-CB 3.45Å; T190-A193 PolarHBondContact O-N 2.9Å; M191-A193 PolarHBondContact O-N 3.15Å; A193-S195 VanDerWaalsContact C-N 3.31Å; A193-L196 PolarHBondContact O-N 3.27Å; A193-V197 WeakPolarHBondContact O-CG2 3.27Å
194H48.6Very low61.3Low46 Ų4657.4 Ų57.421%0.21332%0.318CS..Hα-helixtrans-62.3-38.2163.9-83.6-59.2000112.1S187 T190 M191 L196 V197 G198 R207S187-H194 PolarHBondContact OG-CE1 2.65Å; S187-H194 PolarHBondContact OG-NE2 3.43Å; T190-H194 PolarHBondContact O-N 2.8Å; M191-H194 WeakPolarHBondContact O-CB 2.86Å; M191-H194 PolarHBondContact O-N 2.86Å; M191-H194 VanDerWaalsContact O-N 3.17Å; H194-L196 PolarHBondContact O-N 2.82Å; H194-V197 PolarHBondContact O-N 2.66Å; H194-G198 PolarHBondContact O-N 2.85Å; H194-R207 PolarHBondContact NE2-NH2 3Å; H194-R207 VanDerWaalsContact NE2-NH2 3.16Å
195S49.5Very low62.7Low63 Ų6351.8 Ų51.844%0.44130%0.297SS..Hα-helixtrans-61.8-28.4-179.386.20000114.2M191 A192 A193 V197M191-S195 PolarHBondContact O-N 3.37Å; M191-S195 VanDerWaalsContact O-N 3.11Å; A192-S195 WeakPolarHBondContact O-CB 3.41Å; A192-S195 PolarHBondContact O-N 3Å; A192-S195 PolarHBondContact O-OG 3.14Å; A193-S195 VanDerWaalsContact C-N 3.31Å; S195-V197 VanDerWaalsContact C-N 3.32Å
196L41.4Very low64.2Low152 Ų15250.8 Ų50.880%0.79629%0.293SS*.Hα-helixtrans-74.5-23.7176.3-80.6156000112.6A193 H194A193-L196 PolarHBondContact O-N 3.27Å; H194-L196 PolarHBondContact O-N 2.82Å
197V50Low65.7Low123 Ų12353.2 Ų53.275%0.74530%0.302SS*.Hα-helixtrans-101.8-23-173.7-170.30000111.6A193 H194 S195A193-V197 WeakPolarHBondContact O-CG2 3.27Å; H194-V197 PolarHBondContact O-N 2.66Å; S195-V197 VanDerWaalsContact C-N 3.32Å
198G58.6Low67.3Low39 Ų3952.9 Ų52.940%0.40230%0.297SS..  trans160.7173.6172.700000113.5H194 P200H194-G198 PolarHBondContact O-N 2.85Å; G198-P200 WeakPolarHBondContact O-CD 3.39Å
199T67.8Low69.1Low68 Ų6856.2 Ų56.242%0.41731%0.306SS..  trans-79.4120.3180-51.80000110.8Y201 L246T199-Y201 VanDerWaalsContact C-N 3.3Å; T199-Y201 VanDerWaalsContact CB-CE2 3.48Å; T199-Y201 HydrophobicContact CG2-CD1 4.04Å; T199-Y201 HydrophobicContact CG2-CD2 4.14Å; T199-Y201 HydrophobicContact CG2-CE1 3.53Å; T199-Y201 HydrophobicContact CG2-CE2 3.67Å; T199-Y201 HydrophobicContact CG2-CG 4.3Å; T199-Y201 WeakPolarHBondContact O-CD2 3.48Å; T199-Y201 PolarHBondContact O-N 3.26Å; T199-L246 HydrophobicContact CG2-CD2 3.42Å; T199-L246 VanDerWaalsContact CG2-CD2 3.42Å
200P83.3Confident70.5Confident22 Ų2254.2 Ų54.214%0.14330%0.3CS..  trans-81.863.2-169.733.9-38000113.6G198 Y202 M203 L243 L246G198-P200 WeakPolarHBondContact O-CD 3.39Å; P200-Y202 PolarHBondContact O-N 3.03Å; P200-M203 HydrophobicContact CB-CB 4.03Å; P200-M203 HydrophobicContact CB-CE 3.73Å; P200-M203 HydrophobicContact CB-SD 4.26Å; P200-M203 HydrophobicContact CG-CE 4.33Å; P200-M203 HydrophobicContact CG-SD 4.45Å; P200-M203 VanDerWaalsContact O-CB 3.31Å; P200-M203 WeakPolarHBondContact O-CB 3.44Å; P200-M203 PolarHBondContact O-N 3.1Å; P200-M203 VanDerWaalsContact O-N 3.13Å; P200-L243 HydrophobicContact CG-CD1 3.76Å; P200-L246 HydrophobicContact CG-CD2 4.03Å
201Y89.6Confident71.7Confident48 Ų4857.2 Ų57.219%0.18831%0.309CS..THydrogen-bonded Turntrans-61.3-16.4-172.4-71.5-62.1000117T199 S234 Y237 L246T199-Y201 VanDerWaalsContact C-N 3.3Å; T199-Y201 VanDerWaalsContact CB-CE2 3.48Å; T199-Y201 HydrophobicContact CG2-CD1 4.04Å; T199-Y201 HydrophobicContact CG2-CD2 4.14Å; T199-Y201 HydrophobicContact CG2-CE1 3.53Å; T199-Y201 HydrophobicContact CG2-CE2 3.67Å; T199-Y201 HydrophobicContact CG2-CG 4.3Å; T199-Y201 WeakPolarHBondContact O-CD2 3.48Å; T199-Y201 PolarHBondContact O-N 3.26Å; Y201-S234 WeakPolarHBondContact CB-OG 3.06Å; Y201-Y237 HydrophobicContact CE1-CD2 4.09Å; Y201-Y237 AromaticContact CZ-CD2 3.85Å; Y201-L246 HydrophobicContact CD1-CD1 4.17Å; Y201-L246 HydrophobicContact CE1-CD1 4.46Å
202Y92.4Very high72.9Confident38 Ų3857.6 Ų57.615%0.14932%0.323CS..THydrogen-bonded Turntrans-110.76.4-178.1-45.9-87.7000112.4K163 P164 P200 S221 C224 E228K163-Y202 HydrophobicContact CB-CD1 4.46Å; K163-Y202 HydrophobicContact CB-CD2 3.56Å; K163-Y202 HydrophobicContact CB-CE1 4.4Å; K163-Y202 HydrophobicContact CB-CE2 3.46Å; K163-Y202 VanDerWaalsContact CB-CE2 3.46Å; K163-Y202 HydrophobicContact CB-CG 4.09Å; P164-Y202 WeakPolarHBondContact CD-OH 3.42Å; P164-Y202 HydrophobicContact CG-CE1 4.38Å; P200-Y202 PolarHBondContact O-N 3.03Å; Y202-S221 PolarHBondContact O-OG 2.87Å; Y202-C224 HydrophobicContact CD1-CB 3.69Å; Y202-C224 HydrophobicContact CE1-CB 4.35Å; Y202-E228 VanDerWaalsContact CE1-OE2 3.27Å; Y202-E228 WeakPolarHBondContact CE1-OE2 3.13Å; Y202-E228 VanDerWaalsContact CZ-OE2 3.23Å; Y202-E228 PolarHBondContact OH-OE2 3.5Å
203M90.2Very high74.5Confident11 Ų1156.6 Ų56.65%0.05431%0.305CS..  trans-71.4133.7179.4-171.2172.4-7500110M191 P200 R207 I208 W220M191-M203 HydrophobicContact CE-SD 4.07Å; P200-M203 HydrophobicContact CB-CB 4.03Å; P200-M203 HydrophobicContact CB-CE 3.73Å; P200-M203 HydrophobicContact CB-SD 4.26Å; P200-M203 HydrophobicContact CG-CE 4.33Å; P200-M203 HydrophobicContact CG-SD 4.45Å; P200-M203 VanDerWaalsContact O-CB 3.31Å; P200-M203 WeakPolarHBondContact O-CB 3.44Å; P200-M203 PolarHBondContact O-N 3.1Å; P200-M203 VanDerWaalsContact O-N 3.13Å; M203-R207 HydrophobicContact CE-CG 4.36Å; M203-R207 HydrophobicContact CG-CB 3.86Å; M203-R207 HydrophobicContact CG-CG 3.75Å; M203-R207 HydrophobicContact SD-CG 4.1Å; M203-I208 HydrophobicContact CG-CG1 3.87Å; M203-I208 HydrophobicContact SD-CG1 3.79Å; M203-W220 PolarHBondContact O-NE1 2.88Å
204S92.2Very high76.4Confident0 Ų058.9 Ų58.90%032%0.315CS..  trans-82.7156.9-179.461.50000112.4E206 R207 I208S204-E206 VanDerWaalsContact C-N 3.31Å; S204-E206 VanDerWaalsContact CB-CD 3.41Å; S204-E206 WeakPolarHBondContact CB-OE1 3.42Å; S204-E206 WeakPolarHBondContact CB-OE2 3.02Å; S204-E206 PolarHBondContact O-N 3.45Å; S204-E206 PolarHBondContact OG-OE1 2.83Å; S204-E206 PolarHBondContact OG-OE2 3.22Å; S204-R207 PolarHBondContact O-N 3.42Å; S204-R207 VanDerWaalsContact O-N 3.09Å; S204-I208 PolarHBondContact O-N 3Å; S204-I208 VanDerWaalsContact O-N 3.1Å
205P93.1Very high78.6Confident0 Ų059.9 Ų59.90%032%0.319CS..Hα-helixtrans-55.4-42.3179.3-25.333.2000113.5R207 I208 R209 W220 I250P205-R207 VanDerWaalsContact C-N 3.3Å; P205-R207 PolarHBondContact O-N 2.48Å; P205-I208 WeakPolarHBondContact O-CB 3.4Å; P205-I208 PolarHBondContact O-N 3.32Å; P205-R209 WeakPolarHBondContact O-CG 3.37Å; P205-R209 PolarHBondContact O-N 3.21Å; P205-W220 HydrophobicContact CG-CE3 4.19Å; P205-W220 HydrophobicContact CG-CH2 3.58Å; P205-W220 HydrophobicContact CG-CZ2 4.05Å; P205-W220 HydrophobicContact CG-CZ3 3.67Å; P205-I250 HydrophobicContact CB-CG2 4.34Å; P205-I250 HydrophobicContact CG-CG2 3.81Å
206E91.2Very high80.8Confident7 Ų757.8 Ų57.83%0.03331%0.305CS..Hα-helixtrans-65.4-31.9178.466-79.7-177.700112.7S204 R209 E210 Q211 S217 P279 R282S204-E206 VanDerWaalsContact C-N 3.31Å; S204-E206 VanDerWaalsContact CB-CD 3.41Å; S204-E206 WeakPolarHBondContact CB-OE1 3.42Å; S204-E206 WeakPolarHBondContact CB-OE2 3.02Å; S204-E206 PolarHBondContact O-N 3.45Å; S204-E206 PolarHBondContact OG-OE1 2.83Å; S204-E206 PolarHBondContact OG-OE2 3.22Å; E206-R209 PolarHBondContact O-N 3.34Å; E206-E210 PolarHBondContact O-N 3.43Å; E206-Q211 HydrophobicContact CB-CB 4.31Å; E206-Q211 PolarHBondContact O-N 3.02Å; E206-S217 VanDerWaalsContact OE1-CA 3.27Å; E206-S217 WeakPolarHBondContact OE1-CA 3.44Å; E206-S217 VanDerWaalsContact OE1-CB 3.26Å; E206-S217 WeakPolarHBondContact OE1-CB 3.43Å; E206-S217 PolarHBondContact OE1-OG 3.06Å; E206-P279 HydrophobicContact CB-CG 4.24Å; E206-P279 HydrophobicContact CG-CG 4.11Å; E206-R282 IonicContact OE1-CZ 3.67Å; E206-R282 IonicContact OE1-NH1 2.75Å; E206-R282 PolarHBondContact OE1-NH1 3.28Å; E206-R282 IonicContact OE1-NH2 3.68Å; E206-R282 IonicContact OE2-CZ 3.52Å; E206-R282 IonicContact OE2-NH1 3.36Å; E206-R282 PolarHBondContact OE2-NH1 2.81Å; E206-R282 IonicContact OE2-NH2 2.77Å; E206-R282 PolarHBondContact OE2-NH2 2.95Å
207R86.6Confident83.4Confident65 Ų6550.5 Ų50.525%0.24527%0.267CS..Hα-helixtrans-71.8-35.6173.8-176.9166.9174.8172.4-1.1111.8R160 H194 M203 S204 P205 R209 E210 Y213R160-R207 PolarHBondContact O-NH1 3.34Å; R160-R207 VanDerWaalsContact O-NH1 3.14Å; H194-R207 PolarHBondContact NE2-NH2 3Å; H194-R207 VanDerWaalsContact NE2-NH2 3.16Å; M203-R207 HydrophobicContact CE-CG 4.36Å; M203-R207 HydrophobicContact CG-CB 3.86Å; M203-R207 HydrophobicContact CG-CG 3.75Å; M203-R207 HydrophobicContact SD-CG 4.1Å; S204-R207 PolarHBondContact O-N 3.42Å; S204-R207 VanDerWaalsContact O-N 3.09Å; P205-R207 VanDerWaalsContact C-N 3.3Å; P205-R207 PolarHBondContact O-N 2.48Å; R207-R209 VanDerWaalsContact C-N 3.31Å; R207-E210 PolarHBondContact O-N 3.07Å; R207-Y213 HydrophobicContact CB-CD2 4.29Å; R207-Y213 HydrophobicContact CG-CD2 4.39Å
208I85.5Confident85.5Confident19 Ų1944.7 Ų44.710%0.09723%0.232CC..Hα-helixtrans-64.8-39173.7-66.9177.8000110.8M191 M203 S204 P205 E210 C247 I250M191-I208 HydrophobicContact CE-CB 4.34Å; M191-I208 HydrophobicContact CE-CG1 4.03Å; M191-I208 HydrophobicContact CE-CG2 4.05Å; M191-I208 HydrophobicContact SD-CB 4.38Å; M191-I208 HydrophobicContact SD-CG2 4.09Å; M203-I208 HydrophobicContact CG-CG1 3.87Å; M203-I208 HydrophobicContact SD-CG1 3.79Å; S204-I208 PolarHBondContact O-N 3Å; S204-I208 VanDerWaalsContact O-N 3.1Å; P205-I208 WeakPolarHBondContact O-CB 3.4Å; P205-I208 PolarHBondContact O-N 3.32Å; I208-E210 PolarHBondContact O-N 3.19Å; I208-C247 HydrophobicContact CD1-CB 4.26Å; I208-C247 HydrophobicContact CG2-CB 4.09Å; I208-I250 HydrophobicContact CD1-CB 3.75Å; I208-I250 HydrophobicContact CD1-CD1 3.67Å; I208-I250 HydrophobicContact CD1-CG1 4.31Å; I208-I250 HydrophobicContact CD1-CG2 3.44Å; I208-I250 VanDerWaalsContact CD1-CG2 3.44Å
209R84.5Confident87.4Confident96 Ų9643 Ų4336%0.36221%0.214SC..THydrogen-bonded Turntrans-79.85.1178.3-64171.9-169.5155.61.6114.1P205 E206 R207 Q211 E251P205-R209 WeakPolarHBondContact O-CG 3.37Å; P205-R209 PolarHBondContact O-N 3.21Å; E206-R209 PolarHBondContact O-N 3.34Å; R207-R209 VanDerWaalsContact C-N 3.31Å; R209-Q211 HydrophobicContact CB-CG 3.86Å; R209-Q211 PolarHBondContact O-N 3.25Å; R209-Q211 VanDerWaalsContact O-N 3.14Å; R209-E251 IonicContact NE-OE1 3.45Å; R209-E251 PolarHBondContact NE-OE1 2.92Å
210E79.5Confident88.9Confident147 Ų14739.8 Ų39.869%0.68719%0.194SC*.THydrogen-bonded Turntrans56.225.3-176.4-55.5-173163.300114.2E206 R207 I208 G212E206-E210 PolarHBondContact O-N 3.43Å; R207-E210 PolarHBondContact O-N 3.07Å; I208-E210 PolarHBondContact O-N 3.19Å; E210-G212 PolarHBondContact O-N 3.02Å
211Q77.7Confident89.5Confident137 Ų13739 Ų3964%0.6419%0.189SC*.SBendtrans-80.39.3-178.1-68.2175.70.100113.7E206 R209E206-Q211 HydrophobicContact CB-CB 4.31Å; E206-Q211 PolarHBondContact O-N 3.02Å; R209-Q211 HydrophobicContact CB-CG 3.86Å; R209-Q211 PolarHBondContact O-N 3.25Å; R209-Q211 VanDerWaalsContact O-N 3.14Å
212G74.8Confident89.9Confident47 Ų4736.7 Ų36.749%0.48518%0.18SC..  trans89161.4-173.800000112.7E210E210-G212 PolarHBondContact O-N 3.02Å
213Y80.1Confident90.2Very high42 Ų4234.9 Ų34.917%0.16517%0.173CC..  trans-108.8131.7177.8-164.7-88.1000109M158 R160 R207 S217 D218M158-Y213 HydrophobicContact SD-CD1 3.93Å; M158-Y213 HydrophobicContact SD-CE1 4.49Å; R160-Y213 HydrophobicContact CB-CD1 4.38Å; R160-Y213 HydrophobicContact CB-CE1 3.97Å; R160-Y213 HydrophobicContact CG-CD1 3.85Å; R160-Y213 HydrophobicContact CG-CE1 3.73Å; R207-Y213 HydrophobicContact CB-CD2 4.29Å; R207-Y213 HydrophobicContact CG-CD2 4.39Å; Y213-S217 VanDerWaalsContact OH-C 3.31Å; Y213-S217 PolarHBondContact OH-O 2.93Å; Y213-D218 PolarHBondContact OH-N 3.13Å; Y213-D218 PolarHBondContact OH-OD1 3.08Å
214D88.1Confident90.6Very high67 Ų6734.3 Ų34.336%0.35817%0.17SC..  trans-127-174.3179.774.31.9000111.9M158 A216 S217M158-D214 VanDerWaalsContact SD-CA 3.57Å; D214-A216 VanDerWaalsContact C-N 3.25Å; D214-A216 PolarHBondContact O-N 3.08Å; D214-A216 WeakPolarHBondContact OD1-CA 3.48Å; D214-A216 WeakPolarHBondContact OD1-CB 3.24Å; D214-A216 PolarHBondContact OD1-N 2.9Å; D214-S217 PolarHBondContact N-OG 3.1Å; D214-S217 VanDerWaalsContact N-OG 3.15Å; D214-S217 VanDerWaalsContact O-CB 3.31Å; D214-S217 WeakPolarHBondContact O-CB 3.4Å; D214-S217 PolarHBondContact O-N 3.33Å; D214-S217 PolarHBondContact OD1-N 2.96Å; D214-S217 PolarHBondContact OD1-OG 3.4Å
215F93.8Very high90.9Very high67 Ų6734.3 Ų34.329%0.29417%0.17SC..Hα-helixtrans-63.7-31.7177.5-66.7-79.4000112.3H153 R156 M158 S217 D218 I219H153-F215 HydrophobicContact CB-CD1 4.25Å; H153-F215 HydrophobicContact CB-CE1 4.48Å; H153-F215 AromaticContact CD2-CD1 3.68Å; H153-F215 AromaticContact CE1-CD1 3.82Å; H153-F215 PolarHBondContact CE1-O 2.91Å; H153-F215 AromaticContact CG-CD1 3.66Å; H153-F215 AromaticContact ND1-CD1 3.75Å; H153-F215 AromaticContact NE2-CD1 3.76Å; R156-F215 HydrophobicContact CB-CZ 4.35Å; M158-F215 HydrophobicContact CG-CD1 3.55Å; M158-F215 HydrophobicContact CG-CE1 3.61Å; M158-F215 HydrophobicContact CG-CG 4.05Å; M158-F215 HydrophobicContact CG-CZ 4.15Å; F215-S217 VanDerWaalsContact C-N 3.26Å; F215-S217 PolarHBondContact O-N 3.31Å; F215-D218 WeakPolarHBondContact O-CB 3.03Å; F215-D218 PolarHBondContact O-N 3.2Å; F215-I219 PolarHBondContact O-N 3.23Å
216A96.7Very high91.2Very high18 Ų1834.3 Ų34.315%0.14917%0.17CC..Hα-helixtrans-71.6-23177.400000111.9D214 D218 I219 W220 P279 R282D214-A216 VanDerWaalsContact C-N 3.25Å; D214-A216 PolarHBondContact O-N 3.08Å; D214-A216 WeakPolarHBondContact OD1-CA 3.48Å; D214-A216 WeakPolarHBondContact OD1-CB 3.24Å; D214-A216 PolarHBondContact OD1-N 2.9Å; A216-D218 VanDerWaalsContact C-N 3.35Å; A216-I219 WeakPolarHBondContact O-CB 3.47Å; A216-I219 PolarHBondContact O-N 2.9Å; A216-W220 PolarHBondContact O-N 3.36Å; A216-W220 VanDerWaalsContact O-N 3.12Å; A216-P279 HydrophobicContact CB-CB 3.8Å; A216-R282 VanDerWaalsContact C-NH1 3.31Å; A216-R282 WeakPolarHBondContact O-CD 3.42Å; A216-R282 PolarHBondContact O-NH1 2.82Å
217S95.1Very high91.5Very high0 Ų034.3 Ų34.30%017%0.17CC..Hα-helixtrans-65.9-34.8170.4-50.70000112.8E206 Y213 D214 F215 I219 W220 S221E206-S217 VanDerWaalsContact OE1-CA 3.27Å; E206-S217 WeakPolarHBondContact OE1-CA 3.44Å; E206-S217 VanDerWaalsContact OE1-CB 3.26Å; E206-S217 WeakPolarHBondContact OE1-CB 3.43Å; E206-S217 PolarHBondContact OE1-OG 3.06Å; Y213-S217 VanDerWaalsContact OH-C 3.31Å; Y213-S217 PolarHBondContact OH-O 2.93Å; D214-S217 PolarHBondContact N-OG 3.1Å; D214-S217 VanDerWaalsContact N-OG 3.15Å; D214-S217 VanDerWaalsContact O-CB 3.31Å; D214-S217 WeakPolarHBondContact O-CB 3.4Å; D214-S217 PolarHBondContact O-N 3.33Å; D214-S217 PolarHBondContact OD1-N 2.96Å; D214-S217 PolarHBondContact OD1-OG 3.4Å; F215-S217 VanDerWaalsContact C-N 3.26Å; F215-S217 PolarHBondContact O-N 3.31Å; S217-I219 VanDerWaalsContact C-N 3.28Å; S217-I219 PolarHBondContact O-N 2.81Å; S217-W220 PolarHBondContact O-N 3.47Å; S217-S221 PolarHBondContact O-N 3.33Å; S217-S221 PolarHBondContact O-OG 3.37Å
218D95.8Very high92.1Very high0 Ų032.3 Ų32.30%016%0.163CC..Hα-helixtrans-64.3-36.9170.9-82.2-24.6000110.6L149 H153 M158 H159 R160 I162 Y213 F215 A216 W220 S221 L222L149-D218 HydrophobicContact CD1-CB 4.44Å; L149-D218 HydrophobicContact CD2-CB 4.33Å; H153-D218 IonicContact CD2-OD2 3.79Å; H153-D218 IonicContact CE1-OD2 3.8Å; H153-D218 IonicContact NE2-OD2 2.84Å; H153-D218 PolarHBondContact NE2-OD2 3.45Å; M158-D218 VanDerWaalsContact CA-OD2 3.3Å; M158-D218 WeakPolarHBondContact CA-OD2 3.34Å; H159-D218 PolarHBondContact N-OD1 3.03Å; H159-D218 PolarHBondContact N-OD2 3.09Å; R160-D218 PolarHBondContact N-OD1 3.27Å; I162-D218 HydrophobicContact CD1-CB 3.82Å; Y213-D218 PolarHBondContact OH-N 3.13Å; Y213-D218 PolarHBondContact OH-OD1 3.08Å; F215-D218 WeakPolarHBondContact O-CB 3.03Å; F215-D218 PolarHBondContact O-N 3.2Å; A216-D218 VanDerWaalsContact C-N 3.35Å; D218-W220 VanDerWaalsContact C-N 3.35Å; D218-W220 PolarHBondContact O-N 3.08Å; D218-S221 PolarHBondContact O-N 3.14Å; D218-L222 WeakPolarHBondContact O-CB 3.48Å; D218-L222 PolarHBondContact O-N 3.32Å
219I98.5Very high92.7Very high4 Ų431.4 Ų31.42%0.02116%0.158CC..Hα-helixtrans-63.9-40.4178.8-55.6-50.1000111.6F215 A216 S217 L222 G223 C274 R282 I285 I288F215-I219 PolarHBondContact O-N 3.23Å; A216-I219 WeakPolarHBondContact O-CB 3.47Å; A216-I219 PolarHBondContact O-N 2.9Å; S217-I219 VanDerWaalsContact C-N 3.28Å; S217-I219 PolarHBondContact O-N 2.81Å; I219-L222 PolarHBondContact O-N 3.16Å; I219-G223 PolarHBondContact O-N 3.44Å; I219-C274 HydrophobicContact CG2-CB 4.06Å; I219-R282 HydrophobicContact CB-CB 4.35Å; I219-R282 HydrophobicContact CG2-CB 3.93Å; I219-I285 HydrophobicContact CD1-CB 3.87Å; I219-I285 HydrophobicContact CD1-CD1 4.39Å; I219-I288 HydrophobicContact CD1-CD1 3.8Å; I219-I288 HydrophobicContact CG1-CD1 4.45Å; I219-I288 HydrophobicContact CG2-CD1 3.61Å
220W97.9Very high93.4Very high0 Ų026.8 Ų26.80%014%0.141CC..Hα-helixtrans-58.2-51.2172.6175-84000111.5M203 P205 A216 S217 D218 L222 G223 C224 F236 I250 I275 Q276M203-W220 PolarHBondContact O-NE1 2.88Å; P205-W220 HydrophobicContact CG-CE3 4.19Å; P205-W220 HydrophobicContact CG-CH2 3.58Å; P205-W220 HydrophobicContact CG-CZ2 4.05Å; P205-W220 HydrophobicContact CG-CZ3 3.67Å; A216-W220 PolarHBondContact O-N 3.36Å; A216-W220 VanDerWaalsContact O-N 3.12Å; S217-W220 PolarHBondContact O-N 3.47Å; D218-W220 VanDerWaalsContact C-N 3.35Å; D218-W220 PolarHBondContact O-N 3.08Å; W220-L222 VanDerWaalsContact C-N 3.26Å; W220-L222 PolarHBondContact O-N 3.18Å; W220-G223 PolarHBondContact O-N 2.86Å; W220-G223 VanDerWaalsContact O-N 3.1Å; W220-C224 PolarHBondContact O-N 2.9Å; W220-F236 AromaticContact CE2-CE2 3.92Å; W220-F236 HydrophobicContact CH2-CE2 4.02Å; W220-F236 AromaticContact CH2-CZ 3.66Å; W220-F236 HydrophobicContact CH2-CZ 3.66Å; W220-F236 HydrophobicContact CZ2-CD2 4.31Å; W220-F236 AromaticContact CZ2-CE2 3.24Å; W220-F236 HydrophobicContact CZ2-CE2 3.24Å; W220-F236 AromaticContact CZ2-CZ 3.38Å; W220-F236 HydrophobicContact CZ2-CZ 3.38Å; W220-I250 HydrophobicContact CH2-CG2 4.25Å; W220-I250 HydrophobicContact CZ2-CB 4.49Å; W220-I250 HydrophobicContact CZ2-CG2 3.71Å; W220-I275 HydrophobicContact CD2-CG2 4.3Å; W220-I275 HydrophobicContact CE3-CB 4.41Å; W220-I275 HydrophobicContact CE3-CG2 3.95Å; W220-I275 HydrophobicContact CH2-CG2 3.5Å; W220-I275 VanDerWaalsContact CH2-CG2 3.5Å; W220-I275 HydrophobicContact CZ2-CG2 3.85Å; W220-I275 HydrophobicContact CZ3-CB 4.32Å; W220-I275 HydrophobicContact CZ3-CG2 3.54Å; W220-I275 WeakPolarHBondContact CZ3-O 3.42Å; W220-Q276 WeakPolarHBondContact CZ3-O 3.43Å
221S96.7Very high94.3Very high5 Ų521 Ų214%0.03512%0.118CC..Hα-helixtrans-61.4-36.8179.7-56.70000111.8Y202 S217 D218 C224 L225Y202-S221 PolarHBondContact O-OG 2.87Å; S217-S221 PolarHBondContact O-N 3.33Å; S217-S221 PolarHBondContact O-OG 3.37Å; D218-S221 PolarHBondContact O-N 3.14Å; S221-C224 PolarHBondContact O-N 3.34Å; S221-L225 WeakPolarHBondContact O-CB 3.39Å; S221-L225 PolarHBondContact O-N 3.33Å
222L98.4Very high95.2Very high0 Ų015.2 Ų15.20%09%0.091CC..Hα-helixtrans-65.4-40.2173.8-174.865.9000112.4F142 I145 L149 D218 I219 W220 L225 L226 I285 I288F142-L222 HydrophobicContact CD2-CD1 4.44Å; F142-L222 HydrophobicContact CE2-CD1 3.53Å; F142-L222 HydrophobicContact CE2-CD2 4.42Å; F142-L222 HydrophobicContact CE2-CG 3.78Å; F142-L222 HydrophobicContact CZ-CD1 3.95Å; F142-L222 HydrophobicContact CZ-CD2 3.98Å; F142-L222 HydrophobicContact CZ-CG 3.74Å; I145-L222 HydrophobicContact CG2-CD1 3.56Å; L149-L222 HydrophobicContact CD2-CD2 3.97Å; D218-L222 WeakPolarHBondContact O-CB 3.48Å; D218-L222 PolarHBondContact O-N 3.32Å; I219-L222 PolarHBondContact O-N 3.16Å; W220-L222 VanDerWaalsContact C-N 3.26Å; W220-L222 PolarHBondContact O-N 3.18Å; L222-L225 WeakPolarHBondContact O-CB 3.23Å; L222-L225 PolarHBondContact O-N 2.66Å; L222-L226 PolarHBondContact O-N 3.24Å; L222-I285 HydrophobicContact CD2-CD1 3.58Å; L222-I288 HydrophobicContact CD2-CD1 4.37Å; L222-I288 HydrophobicContact CD2-CG2 4.01Å
223G98.6Very high96.2Very high0 Ų017.2 Ų17.20%09%0.088CC..Hα-helixtrans-61.8-46.2173.700000112.4I219 W220 L225 L226 Y227I219-G223 PolarHBondContact O-N 3.44Å; W220-G223 PolarHBondContact O-N 2.86Å; W220-G223 VanDerWaalsContact O-N 3.1Å; G223-L225 VanDerWaalsContact C-N 3.28Å; G223-L225 PolarHBondContact O-N 3.26Å; G223-L226 PolarHBondContact O-N 2.92Å; G223-Y227 PolarHBondContact O-N 3.47Å
224C98.3Very high96.9Very high0 Ų015.5 Ų15.50%08%0.083CC..Hα-helixtrans-59.1-40.1173.5-71.30000112.1Y202 W220 S221 Y227 E228 P235Y202-C224 HydrophobicContact CD1-CB 3.69Å; Y202-C224 HydrophobicContact CE1-CB 4.35Å; W220-C224 PolarHBondContact O-N 2.9Å; S221-C224 PolarHBondContact O-N 3.34Å; C224-Y227 PolarHBondContact O-N 2.91Å; C224-E228 WeakPolarHBondContact O-CB 3.44Å; C224-E228 PolarHBondContact O-N 3.48Å; C224-P235 HydrophobicContact CB-CG 4.08Å
225L98.4Very high97.3Very high0 Ų012.5 Ų12.50%07%0.067CC..Hα-helixtrans-63.8-46175.8-178.1147.6000111.6L119 F142 I145 I162 V167 S221 L222 G223 Y227 E228 M229L119-L225 HydrophobicContact CD2-CD1 4.13Å; L119-L225 HydrophobicContact CD2-CD2 3.92Å; L119-L225 HydrophobicContact CD2-CG 4.08Å; F142-L225 HydrophobicContact CD2-CD2 4.31Å; F142-L225 HydrophobicContact CE2-CD2 4.43Å; I145-L225 HydrophobicContact CD1-CD2 3.76Å; I162-L225 HydrophobicContact CG2-CD1 3.92Å; V167-L225 HydrophobicContact CG2-CD1 3.7Å; S221-L225 WeakPolarHBondContact O-CB 3.39Å; S221-L225 PolarHBondContact O-N 3.33Å; L222-L225 WeakPolarHBondContact O-CB 3.23Å; L222-L225 PolarHBondContact O-N 2.66Å; G223-L225 VanDerWaalsContact C-N 3.28Å; G223-L225 PolarHBondContact O-N 3.26Å; L225-Y227 VanDerWaalsContact C-N 3.34Å; L225-Y227 PolarHBondContact O-N 3.4Å; L225-E228 PolarHBondContact O-N 3.01Å; L225-M229 HydrophobicContact CD2-CG 4.27Å; L225-M229 HydrophobicContact CD2-SD 3.68Å; L225-M229 WeakPolarHBondContact O-CG 3.46Å; L225-M229 PolarHBondContact O-N 3.35Å
226L98.8Very high97.4Very high0 Ų09.3 Ų9.30%05%0.053CC..Hα-helixtrans-60.9-44.6177.2-17957000111.4I138 F142 L222 G223 E228 M229 A230 L267 L270 V271I138-L226 HydrophobicContact CG2-CD1 3.55Å; F142-L226 HydrophobicContact CB-CD1 4.48Å; F142-L226 HydrophobicContact CD1-CD1 4.3Å; F142-L226 HydrophobicContact CD2-CB 4.15Å; F142-L226 HydrophobicContact CD2-CD1 3.77Å; F142-L226 HydrophobicContact CD2-CG 4.41Å; F142-L226 HydrophobicContact CE1-CD2 4.08Å; F142-L226 HydrophobicContact CE2-CB 3.62Å; F142-L226 HydrophobicContact CE2-CD1 4.02Å; F142-L226 HydrophobicContact CE2-CD2 4.23Å; F142-L226 HydrophobicContact CE2-CG 4.16Å; F142-L226 HydrophobicContact CG-CD1 3.92Å; F142-L226 HydrophobicContact CZ-CB 4.05Å; F142-L226 HydrophobicContact CZ-CD1 4.39Å; F142-L226 HydrophobicContact CZ-CD2 3.88Å; F142-L226 HydrophobicContact CZ-CG 4.33Å; L222-L226 PolarHBondContact O-N 3.24Å; G223-L226 PolarHBondContact O-N 2.92Å; L226-E228 VanDerWaalsContact C-N 3.33Å; L226-E228 PolarHBondContact O-N 3.14Å; L226-M229 PolarHBondContact O-N 3.29Å; L226-A230 PolarHBondContact O-N 3.16Å; L226-L267 HydrophobicContact CD1-CG 4.44Å; L226-L270 HydrophobicContact CD2-CB 4.17Å; L226-L270 HydrophobicContact CD2-CD2 3.88Å; L226-L270 HydrophobicContact CD2-CG 3.99Å; L226-V271 HydrophobicContact CB-CG2 4.08Å; L226-V271 HydrophobicContact CD2-CG2 3.68Å; L226-V271 HydrophobicContact CG-CG2 3.63Å
227Y98.8Very high97.1Very high7 Ų712.6 Ų12.63%0.0276%0.062CC..Hα-helixtrans-57.2-47.7174.3179-82.2000111G223 C224 L225 M229 A230 A231 Q233 P235 Y255 A256 L258 V271G223-Y227 PolarHBondContact O-N 3.47Å; C224-Y227 PolarHBondContact O-N 2.91Å; L225-Y227 VanDerWaalsContact C-N 3.34Å; L225-Y227 PolarHBondContact O-N 3.4Å; Y227-M229 VanDerWaalsContact C-N 3.32Å; Y227-M229 PolarHBondContact O-N 3.33Å; Y227-A230 CarbonylContact O-C 3.55Å; Y227-A230 WeakPolarHBondContact O-CA 3.41Å; Y227-A230 WeakPolarHBondContact O-CB 3.16Å; Y227-A230 PolarHBondContact O-N 3.16Å; Y227-A231 HydrophobicContact CD1-CB 3.81Å; Y227-A231 HydrophobicContact CE1-CB 3.3Å; Y227-A231 HydrophobicContact CE2-CB 4.43Å; Y227-A231 WeakPolarHBondContact O-CB 3.49Å; Y227-A231 PolarHBondContact O-N 3.04Å; Y227-Q233 WeakPolarHBondContact CD1-O 3.49Å; Y227-Q233 VanDerWaalsContact CE1-O 3.29Å; Y227-Q233 WeakPolarHBondContact CE1-O 3.45Å; Y227-P235 HydrophobicContact CD1-CB 3.71Å; Y227-P235 VanDerWaalsContact CD1-CD 3.43Å; Y227-P235 HydrophobicContact CD1-CG 4.08Å; Y227-P235 VanDerWaalsContact CD1-N 3.33Å; Y227-P235 HydrophobicContact CD2-CB 4.18Å; Y227-P235 HydrophobicContact CE1-CB 3.89Å; Y227-P235 HydrophobicContact CE2-CB 4.37Å; Y227-P235 HydrophobicContact CG-CB 3.85Å; Y227-P235 HydrophobicContact CG-CG 4.22Å; Y227-Y255 HydrophobicContact CD2-CD2 4.04Å; Y227-Y255 HydrophobicContact CD2-CE2 4.26Å; Y227-Y255 AromaticContact CE2-CD2 3.72Å; Y227-Y255 HydrophobicContact CE2-CD2 3.72Å; Y227-Y255 HydrophobicContact CE2-CE2 4.26Å; Y227-A256 WeakPolarHBondContact CE2-O 3.27Å; Y227-A256 PolarHBondContact OH-O 3.05Å; Y227-A256 VanDerWaalsContact OH-O 3.07Å; Y227-L258 HydrophobicContact CD2-CD1 4.33Å; Y227-L258 HydrophobicContact CD2-CD2 3.8Å; Y227-L258 HydrophobicContact CD2-CG 3.93Å; Y227-L258 HydrophobicContact CE2-CD2 3.64Å; Y227-L258 HydrophobicContact CE2-CG 3.92Å; Y227-L258 HydrophobicContact CG-CD2 4.42Å; Y227-V271 HydrophobicContact CD2-CG1 3.99Å
228E98.2Very high96.5Very high22 Ų2213.5 Ų13.510%0.1037%0.071CC..Hα-helixtrans-68.1-31.6-176.5-171.7174.2177.200112.9I123 Y202 C224 L225 L226 A230 L232 Q233I123-E228 HydrophobicContact CD1-CG 4.06Å; I123-E228 HydrophobicContact CG2-CG 4.47Å; Y202-E228 VanDerWaalsContact CE1-OE2 3.27Å; Y202-E228 WeakPolarHBondContact CE1-OE2 3.13Å; Y202-E228 VanDerWaalsContact CZ-OE2 3.23Å; Y202-E228 PolarHBondContact OH-OE2 3.5Å; C224-E228 WeakPolarHBondContact O-CB 3.44Å; C224-E228 PolarHBondContact O-N 3.48Å; L225-E228 PolarHBondContact O-N 3.01Å; L226-E228 VanDerWaalsContact C-N 3.33Å; L226-E228 PolarHBondContact O-N 3.14Å; E228-A230 PolarHBondContact O-N 3.29Å; E228-L232 WeakPolarHBondContact O-CA 3.45Å; E228-L232 PolarHBondContact O-N 3.03Å; E228-Q233 WeakPolarHBondContact CA-O 3.34Å; E228-Q233 VanDerWaalsContact CG-C 3.49Å
229M98.5Very high95.6Very high0 Ų019.7 Ų19.70%010%0.104CC..Hα-helixtrans-59.8-36.5170.1-69.6178.67500111.9L119 I133 I138 Y141 F142 I145 L225 L226 Y227L119-M229 HydrophobicContact CD1-CE 4.05Å; L119-M229 HydrophobicContact CD1-CG 4.24Å; L119-M229 HydrophobicContact CD1-SD 4.45Å; L119-M229 HydrophobicContact CD2-CE 4.44Å; L119-M229 HydrophobicContact CD2-CG 3.87Å; L119-M229 HydrophobicContact CD2-SD 3.86Å; L119-M229 HydrophobicContact CG-CG 4.43Å; I133-M229 WeakPolarHBondContact CD1-O 3.36Å; I133-M229 WeakPolarHBondContact CG1-O 3.24Å; I138-M229 HydrophobicContact CB-CE 4.3Å; I138-M229 HydrophobicContact CD1-CB 4.37Å; I138-M229 HydrophobicContact CG1-CB 4.27Å; I138-M229 HydrophobicContact CG1-CE 4.49Å; I138-M229 HydrophobicContact CG2-CB 4.18Å; I138-M229 HydrophobicContact CG2-CE 3.98Å; I138-M229 HydrophobicContact CG2-SD 4.27Å; Y141-M229 HydrophobicContact CD2-CE 4.28Å; F142-M229 HydrophobicContact CD2-SD 4.49Å; I145-M229 HydrophobicContact CD1-SD 4.47Å; L225-M229 HydrophobicContact CD2-CG 4.27Å; L225-M229 HydrophobicContact CD2-SD 3.68Å; L225-M229 WeakPolarHBondContact O-CG 3.46Å; L225-M229 PolarHBondContact O-N 3.35Å; L226-M229 PolarHBondContact O-N 3.29Å; Y227-M229 VanDerWaalsContact C-N 3.32Å; Y227-M229 PolarHBondContact O-N 3.33Å
230A98.6Very high94.6Very high0 Ų029.4 Ų29.40%015%0.147CC..Hα-helixtrans-82.8-44179.700000112.9I138 L226 Y227 E228 L258 Y263 L267I138-A230 HydrophobicContact CD1-CB 3.95Å; L226-A230 PolarHBondContact O-N 3.16Å; Y227-A230 CarbonylContact O-C 3.55Å; Y227-A230 WeakPolarHBondContact O-CA 3.41Å; Y227-A230 WeakPolarHBondContact O-CB 3.16Å; Y227-A230 PolarHBondContact O-N 3.16Å; E228-A230 PolarHBondContact O-N 3.29Å; A230-L258 HydrophobicContact CB-CD1 3.76Å; A230-L258 HydrophobicContact CB-CD2 3.69Å; A230-L258 HydrophobicContact CB-CG 4.37Å; A230-Y263 HydrophobicContact CB-CD2 4.11Å; A230-Y263 HydrophobicContact CB-CE1 4.18Å; A230-Y263 HydrophobicContact CB-CE2 3.69Å; A230-Y263 PolarHBondContact O-OH 3.21Å; A230-L267 HydrophobicContact CB-CD2 4.21Å
231A97.8Very high93.8Very high25 Ų2531.3 Ų31.321%0.20716%0.156CC..Hα-helixtrans-93.3-11-173.800000114.4Y227 Q233 L258Y227-A231 HydrophobicContact CD1-CB 3.81Å; Y227-A231 HydrophobicContact CE1-CB 3.3Å; Y227-A231 HydrophobicContact CE2-CB 4.43Å; Y227-A231 WeakPolarHBondContact O-CB 3.49Å; Y227-A231 PolarHBondContact O-N 3.04Å; A231-Q233 HydrophobicContact CB-CG 4.35Å; A231-Q233 PolarHBondContact O-N 3.04Å; A231-L258 HydrophobicContact CB-CD2 3.82Å
232L97.2Very high93.2Very high15 Ų1535.2 Ų35.28%0.07918%0.176CC..SBendtrans61.315.1-173.7-50.3177.2000115.3I123 F126 R127 R131 L132 I133 E228I123-L232 HydrophobicContact CG2-CB 4.28Å; I123-L232 HydrophobicContact CG2-CD2 4.18Å; F126-L232 HydrophobicContact CB-CD1 4.27Å; F126-L232 HydrophobicContact CB-CD2 3.87Å; R127-L232 HydrophobicContact CB-CB 4.33Å; R127-L232 HydrophobicContact CB-CD1 4.2Å; R131-L232 WeakPolarHBondContact O-CD1 3.24Å; L132-L232 HydrophobicContact CD2-CD1 3.93Å; L132-L232 HydrophobicContact CD2-CG 4.1Å; I133-L232 HydrophobicContact CD1-CD2 4.17Å; I133-L232 HydrophobicContact CG1-CD2 3.87Å; E228-L232 WeakPolarHBondContact O-CA 3.45Å; E228-L232 PolarHBondContact O-N 3.03Å
233Q95Very high92.5Very high90 Ų9037.6 Ų37.642%0.42119%0.189SC..SBendtrans-153.1153.3174.663.3-177.4-5.900109.9Y227 E228 A231Y227-Q233 WeakPolarHBondContact CD1-O 3.49Å; Y227-Q233 VanDerWaalsContact CE1-O 3.29Å; Y227-Q233 WeakPolarHBondContact CE1-O 3.45Å; E228-Q233 WeakPolarHBondContact CA-O 3.34Å; E228-Q233 VanDerWaalsContact CG-C 3.49Å; A231-Q233 HydrophobicContact CB-CG 4.35Å; A231-Q233 PolarHBondContact O-N 3.04Å
234S95.3Very high92Very high6 Ų644 Ų444%0.04222%0.217CC..  trans-57146.4175.1164.90000111.4Y201 F236 Y237Y201-S234 WeakPolarHBondContact CB-OG 3.06Å; S234-F236 PolarHBondContact O-N 2.95Å; S234-F236 PolarHBondContact OG-N 3.4Å; S234-Y237 VanDerWaalsContact O-CB 3.3Å; S234-Y237 WeakPolarHBondContact O-CB 3.41Å; S234-Y237 PolarHBondContact O-N 3.18Å
235P96.5Very high91.5Very high4 Ų451.5 Ų51.53%0.02625%0.245CC..THydrogen-bonded Turntrans-56.7-34.9175.322.1-32.4000112.4C224 Y227 Y255 I275C224-P235 HydrophobicContact CB-CG 4.08Å; Y227-P235 HydrophobicContact CD1-CB 3.71Å; Y227-P235 VanDerWaalsContact CD1-CD 3.43Å; Y227-P235 HydrophobicContact CD1-CG 4.08Å; Y227-P235 VanDerWaalsContact CD1-N 3.33Å; Y227-P235 HydrophobicContact CD2-CB 4.18Å; Y227-P235 HydrophobicContact CE1-CB 3.89Å; Y227-P235 HydrophobicContact CE2-CB 4.37Å; Y227-P235 HydrophobicContact CG-CB 3.85Å; Y227-P235 HydrophobicContact CG-CG 4.22Å; P235-Y255 HydrophobicContact CB-CD1 4.39Å; P235-Y255 HydrophobicContact CB-CD2 4.13Å; P235-Y255 HydrophobicContact CB-CG 3.79Å; P235-Y255 WeakPolarHBondContact O-CB 3.26Å; P235-I275 HydrophobicContact CB-CD1 4.4Å; P235-I275 HydrophobicContact CG-CD1 4.11Å
236F95.3Very high91.2Very high0 Ų051.5 Ų51.50%025%0.245CC..THydrogen-bonded Turntrans-10121.9179.9-48.4-67.8000112.1W220 S234 M241 L246 K249 I250 Y255 I275W220-F236 AromaticContact CE2-CE2 3.92Å; W220-F236 HydrophobicContact CH2-CE2 4.02Å; W220-F236 AromaticContact CH2-CZ 3.66Å; W220-F236 HydrophobicContact CH2-CZ 3.66Å; W220-F236 HydrophobicContact CZ2-CD2 4.31Å; W220-F236 AromaticContact CZ2-CE2 3.24Å; W220-F236 HydrophobicContact CZ2-CE2 3.24Å; W220-F236 AromaticContact CZ2-CZ 3.38Å; W220-F236 HydrophobicContact CZ2-CZ 3.38Å; S234-F236 PolarHBondContact O-N 2.95Å; S234-F236 PolarHBondContact OG-N 3.4Å; F236-M241 WeakPolarHBondContact O-CE 3.42Å; F236-L246 HydrophobicContact CB-CD1 3.59Å; F236-L246 WeakPolarHBondContact O-CD1 3.04Å; F236-K249 HydrophobicContact CD1-CB 4.03Å; F236-I250 HydrophobicContact CB-CG1 4.11Å; F236-I250 HydrophobicContact CD1-CG1 4.15Å; F236-I250 HydrophobicContact CD2-CD1 4.49Å; F236-I250 HydrophobicContact CD2-CG1 3.68Å; F236-I250 HydrophobicContact CE2-CG1 4.13Å; F236-I250 HydrophobicContact CG-CG1 3.69Å; F236-Y255 AromaticContact CE1-CD1 4Å; F236-Y255 HydrophobicContact CE1-CD1 4Å; F236-Y255 HydrophobicContact CZ-CD1 4.14Å; F236-I275 HydrophobicContact CE2-CG2 4.03Å; F236-I275 HydrophobicContact CZ-CG2 3.6Å
237Y90.7Very high90.7Very high86 Ų8652.3 Ų52.334%0.33725%0.251SS..  trans-66.1151.8167.3-178-98.2000110.5Y201 S234 D239 K249Y201-Y237 HydrophobicContact CE1-CD2 4.09Å; Y201-Y237 AromaticContact CZ-CD2 3.85Å; S234-Y237 VanDerWaalsContact O-CB 3.3Å; S234-Y237 WeakPolarHBondContact O-CB 3.41Å; S234-Y237 PolarHBondContact O-N 3.18Å; Y237-D239 PolarHBondContact OH-OD1 2.89Å; Y237-K249 PolarHBondContact O-NZ 2.85Å
238G83.6Confident90.3Very high19 Ų1955.8 Ų55.820%0.19627%0.267CS..  trans-164.8134.1176.100000110K240 M241G238-K240 PolarHBondContact O-N 3.45Å; G238-M241 VanDerWaalsContact N-CE 3.33Å; G238-M241 WeakPolarHBondContact O-CB 3.39Å; G238-M241 PolarHBondContact O-N 3.02Å
239D77.4Confident90.1Very high131 Ų13157 Ų5770%0.70127%0.272SS*.THydrogen-bonded Turntrans-64133.1179.9-111.111.9000110.9Y237 M241Y237-D239 PolarHBondContact OH-OD1 2.89Å; D239-M241 PolarHBondContact O-N 3.3Å; D239-M241 VanDerWaalsContact O-N 3.15Å
240K76.5Confident89.9Confident208 Ų20857.1 Ų57.190%0.90427%0.273SS*.THydrogen-bonded Turntrans54.329.3-178.1-55.5179.6-179.1178.20113.8G238G238-K240 PolarHBondContact O-N 3.45Å
241M81Confident89.5Confident39 Ų3960.3 Ų60.319%0.19229%0.287CS..  trans-77.1130.5-178.3-169.5144.364.600111.8F236 G238 D239 R245 L246 K249F236-M241 WeakPolarHBondContact O-CE 3.42Å; G238-M241 VanDerWaalsContact N-CE 3.33Å; G238-M241 WeakPolarHBondContact O-CB 3.39Å; G238-M241 PolarHBondContact O-N 3.02Å; D239-M241 PolarHBondContact O-N 3.3Å; D239-M241 VanDerWaalsContact O-N 3.15Å; M241-R245 HydrophobicContact CG-CB 3.7Å; M241-R245 HydrophobicContact SD-CB 3.97Å; M241-L246 HydrophobicContact CE-CB 4.32Å; M241-L246 HydrophobicContact CE-CD1 4.12Å; M241-L246 HydrophobicContact CG-CB 4.34Å; M241-K249 HydrophobicContact CE-CD 3.94Å; M241-K249 HydrophobicContact SD-CD 3.71Å; M241-K249 HydrophobicContact SD-CG 4.42Å
242N85.4Confident89.3Confident88 Ų8865 Ų6547%0.47131%0.305SS..  trans-86.8167.817067.620.7000111F244 R245 L246N242-F244 VanDerWaalsContact C-N 3.28Å; N242-F244 PolarHBondContact O-N 3.33Å; N242-F244 PolarHBondContact OD1-N 2.75Å; N242-R245 PolarHBondContact O-N 3.49Å; N242-R245 WeakPolarHBondContact OD1-CB 3.47Å; N242-R245 WeakPolarHBondContact OD1-CG 3.43Å; N242-R245 PolarHBondContact OD1-N 2.94Å; N242-L246 PolarHBondContact O-N 3.29Å; N242-L246 VanDerWaalsContact O-N 3.09Å
243L83.7Confident89Confident49 Ų4965.4 Ų65.426%0.25731%0.312SS..Hα-helixtrans-58.4-39.8-178.1-179.162.6000112.5M191 P200 R245 L246 C247M191-L243 HydrophobicContact CE-CD1 4.47Å; P200-L243 HydrophobicContact CG-CD1 3.76Å; L243-R245 PolarHBondContact O-N 3.44Å; L243-L246 HydrophobicContact CD1-CD2 4.38Å; L243-L246 WeakPolarHBondContact O-CB 3.32Å; L243-L246 PolarHBondContact O-N 3.09Å; L243-C247 PolarHBondContact O-N 3.18Å; L243-C247 PolarHBondContact O-SG 3.37Å
244F86.6Confident88.8Confident135 Ų13565.9 Ų65.959%0.59232%0.318SS*.Hα-helixtrans-59.6-49.4-180178.4-99000112N242 L246 C247 Q248N242-F244 VanDerWaalsContact C-N 3.28Å; N242-F244 PolarHBondContact O-N 3.33Å; N242-F244 PolarHBondContact OD1-N 2.75Å; F244-L246 VanDerWaalsContact C-N 3.33Å; F244-L246 PolarHBondContact O-N 2.7Å; F244-C247 WeakPolarHBondContact O-CB 3.34Å; F244-C247 PolarHBondContact O-N 2.86Å; F244-Q248 HydrophobicContact CE1-CG 4.16Å; F244-Q248 VanDerWaalsContact CE1-NE2 3.31Å; F244-Q248 HydrophobicContact CZ-CG 4.29Å; F244-Q248 WeakPolarHBondContact O-CG 3.44Å; F244-Q248 PolarHBondContact O-N 2.66Å
245R89.2Confident88.8Confident157 Ų15767.7 Ų67.759%0.59232%0.324SS*.Hα-helixtrans-64.8-36.6177.3-76.9-173.9178.4-171.8-0.2112.5M241 N242 L243 Q248 K249M241-R245 HydrophobicContact CG-CB 3.7Å; M241-R245 HydrophobicContact SD-CB 3.97Å; N242-R245 PolarHBondContact O-N 3.49Å; N242-R245 WeakPolarHBondContact OD1-CB 3.47Å; N242-R245 WeakPolarHBondContact OD1-CG 3.43Å; N242-R245 PolarHBondContact OD1-N 2.94Å; L243-R245 PolarHBondContact O-N 3.44Å; R245-Q248 PolarHBondContact O-N 3.2Å; R245-K249 PolarHBondContact O-N 2.83Å
246L90.5Very high88.7Confident1 Ų170.2 Ų70.21%0.00535%0.346CS..Hα-helixtrans-60.3-47.2173.1172.464.5000111.1T199 P200 Y201 F236 M241 N242 L243 F244 Q248 K249 I250T199-L246 HydrophobicContact CG2-CD2 3.42Å; T199-L246 VanDerWaalsContact CG2-CD2 3.42Å; P200-L246 HydrophobicContact CG-CD2 4.03Å; Y201-L246 HydrophobicContact CD1-CD1 4.17Å; Y201-L246 HydrophobicContact CE1-CD1 4.46Å; F236-L246 HydrophobicContact CB-CD1 3.59Å; F236-L246 WeakPolarHBondContact O-CD1 3.04Å; M241-L246 HydrophobicContact CE-CB 4.32Å; M241-L246 HydrophobicContact CE-CD1 4.12Å; M241-L246 HydrophobicContact CG-CB 4.34Å; N242-L246 PolarHBondContact O-N 3.29Å; N242-L246 VanDerWaalsContact O-N 3.09Å; L243-L246 HydrophobicContact CD1-CD2 4.38Å; L243-L246 WeakPolarHBondContact O-CB 3.32Å; L243-L246 PolarHBondContact O-N 3.09Å; F244-L246 VanDerWaalsContact C-N 3.33Å; F244-L246 PolarHBondContact O-N 2.7Å; L246-Q248 VanDerWaalsContact C-N 3.29Å; L246-Q248 PolarHBondContact O-N 3.21Å; L246-K249 PolarHBondContact O-N 3.24Å; L246-I250 HydrophobicContact CD1-CD1 3.78Å; L246-I250 HydrophobicContact CD1-CG1 4.19Å; L246-I250 HydrophobicContact CG-CD1 3.82Å; L246-I250 WeakPolarHBondContact O-CG1 3.45Å; L246-I250 PolarHBondContact O-N 3.48Å
247C89.7Confident88.8Confident17 Ų1775.9 Ų75.912%0.11538%0.382CS..Hα-helixtrans-59.4-43.9178.1-62.80000110.8M191 I208 L243 F244 K249 I250 E251M191-C247 WeakPolarHBondContact CE-SG 3.45Å; I208-C247 HydrophobicContact CD1-CB 4.26Å; I208-C247 HydrophobicContact CG2-CB 4.09Å; L243-C247 PolarHBondContact O-N 3.18Å; L243-C247 PolarHBondContact O-SG 3.37Å; F244-C247 WeakPolarHBondContact O-CB 3.34Å; F244-C247 PolarHBondContact O-N 2.86Å; C247-K249 PolarHBondContact O-N 3.1Å; C247-I250 PolarHBondContact O-N 3.48Å; C247-E251 WeakPolarHBondContact O-CB 3.4Å; C247-E251 WeakPolarHBondContact O-CG 3.24Å; C247-E251 PolarHBondContact O-N 3.15Å
248Q90.7Very high89.2Confident79 Ų7972.5 Ų72.537%0.36937%0.37SS..Hα-helixtrans-58.4-47.7174.8-70.6-175.5-43.700112.2F244 R245 L246 I250 E251 H252F244-Q248 HydrophobicContact CE1-CG 4.16Å; F244-Q248 VanDerWaalsContact CE1-NE2 3.31Å; F244-Q248 HydrophobicContact CZ-CG 4.29Å; F244-Q248 WeakPolarHBondContact O-CG 3.44Å; F244-Q248 PolarHBondContact O-N 2.66Å; R245-Q248 PolarHBondContact O-N 3.2Å; L246-Q248 VanDerWaalsContact C-N 3.29Å; L246-Q248 PolarHBondContact O-N 3.21Å; Q248-I250 VanDerWaalsContact C-N 3.31Å; Q248-I250 PolarHBondContact O-N 2.88Å; Q248-E251 PolarHBondContact O-N 3.29Å; Q248-H252 PolarHBondContact O-N 3.12Å; Q248-H252 PolarHBondContact O-ND1 3.45Å
249K92.9Very high89.8Confident49 Ų4974.2 Ų74.221%0.21338%0.378CS..Hα-helixtrans-59.2-43177.6-73.7-169.768.7172.70112.2F236 Y237 M241 R245 L246 C247 H252 G253 D254F236-K249 HydrophobicContact CD1-CB 4.03Å; Y237-K249 PolarHBondContact O-NZ 2.85Å; M241-K249 HydrophobicContact CE-CD 3.94Å; M241-K249 HydrophobicContact SD-CD 3.71Å; M241-K249 HydrophobicContact SD-CG 4.42Å; R245-K249 PolarHBondContact O-N 2.83Å; L246-K249 PolarHBondContact O-N 3.24Å; C247-K249 PolarHBondContact O-N 3.1Å; K249-H252 PolarHBondContact O-N 2.91Å; K249-G253 PolarHBondContact O-N 3.05Å; K249-D254 WeakPolarHBondContact CE-O 3.18Å; K249-D254 PolarHBondContact O-N 2.74Å
250I93.8Very high90.7Very high1 Ų175 Ų751%0.00538%0.375CS..Hα-helixtrans-62.6-47.4177.9-71.2168000110.7P205 I208 W220 F236 L246 C247 Q248 H252 G253P205-I250 HydrophobicContact CB-CG2 4.34Å; P205-I250 HydrophobicContact CG-CG2 3.81Å; I208-I250 HydrophobicContact CD1-CB 3.75Å; I208-I250 HydrophobicContact CD1-CD1 3.67Å; I208-I250 HydrophobicContact CD1-CG1 4.31Å; I208-I250 HydrophobicContact CD1-CG2 3.44Å; I208-I250 VanDerWaalsContact CD1-CG2 3.44Å; W220-I250 HydrophobicContact CH2-CG2 4.25Å; W220-I250 HydrophobicContact CZ2-CB 4.49Å; W220-I250 HydrophobicContact CZ2-CG2 3.71Å; F236-I250 HydrophobicContact CB-CG1 4.11Å; F236-I250 HydrophobicContact CD1-CG1 4.15Å; F236-I250 HydrophobicContact CD2-CD1 4.49Å; F236-I250 HydrophobicContact CD2-CG1 3.68Å; F236-I250 HydrophobicContact CE2-CG1 4.13Å; F236-I250 HydrophobicContact CG-CG1 3.69Å; L246-I250 HydrophobicContact CD1-CD1 3.78Å; L246-I250 HydrophobicContact CD1-CG1 4.19Å; L246-I250 HydrophobicContact CG-CD1 3.82Å; L246-I250 WeakPolarHBondContact O-CG1 3.45Å; L246-I250 PolarHBondContact O-N 3.48Å; C247-I250 PolarHBondContact O-N 3.48Å; Q248-I250 VanDerWaalsContact C-N 3.31Å; Q248-I250 PolarHBondContact O-N 2.88Å; I250-H252 VanDerWaalsContact C-N 3.31Å; I250-H252 PolarHBondContact O-N 2.95Å; I250-G253 PolarHBondContact O-N 3.16Å
251E91.5Very high91.7Very high67 Ų6771.9 Ų71.931%0.31336%0.364SS..Hα-helixtrans-65.8-32.1-179.8-72.6-170.8128.700113.4R209 C247 Q248 K277R209-E251 IonicContact NE-OE1 3.45Å; R209-E251 PolarHBondContact NE-OE1 2.92Å; C247-E251 WeakPolarHBondContact O-CB 3.4Å; C247-E251 WeakPolarHBondContact O-CG 3.24Å; C247-E251 PolarHBondContact O-N 3.15Å; Q248-E251 PolarHBondContact O-N 3.29Å; E251-K277 WeakPolarHBondContact O-CD 3.49Å
252H92Very high92.4Very high124 Ų12474.4 Ų74.457%0.57438%0.377SS*.Hα-helixtrans-81.7-21.3176-69.784000112.7Q248 K249 I250 D254 K277Q248-H252 PolarHBondContact O-N 3.12Å; Q248-H252 PolarHBondContact O-ND1 3.45Å; K249-H252 PolarHBondContact O-N 2.91Å; I250-H252 VanDerWaalsContact C-N 3.31Å; I250-H252 PolarHBondContact O-N 2.95Å; H252-D254 HydrophobicContact CB-CB 4.34Å; H252-K277 PolarHBondContact O-NZ 3.34Å
253G91.6Very high93Very high23 Ų2370.4 Ų70.424%0.23736%0.355CS..THydrogen-bonded Turntrans71.332.3-171.700000112K249 I250 Y255K249-G253 PolarHBondContact O-N 3.05Å; I250-G253 PolarHBondContact O-N 3.16Å; G253-Y255 WeakPolarHBondContact O-CD1 3.24Å
254D90.8Very high93.7Very high100 Ų10069.3 Ų69.354%0.53535%0.352SS..  trans-91.2105.4-174.1-179.424.1000111.7K249 H252K249-D254 WeakPolarHBondContact CE-O 3.18Å; K249-D254 PolarHBondContact O-N 2.74Å; H252-D254 HydrophobicContact CB-CB 4.34Å
255Y95Very high94.3Very high44 Ų4465 Ų6517%0.17334%0.341CS..  trans-145153174.763.2-88.1000111.3Y227 P235 F236 G253 V271 I275Y227-Y255 HydrophobicContact CD2-CD2 4.04Å; Y227-Y255 HydrophobicContact CD2-CE2 4.26Å; Y227-Y255 AromaticContact CE2-CD2 3.72Å; Y227-Y255 HydrophobicContact CE2-CD2 3.72Å; Y227-Y255 HydrophobicContact CE2-CE2 4.26Å; P235-Y255 HydrophobicContact CB-CD1 4.39Å; P235-Y255 HydrophobicContact CB-CD2 4.13Å; P235-Y255 HydrophobicContact CB-CG 3.79Å; P235-Y255 WeakPolarHBondContact O-CB 3.26Å; F236-Y255 AromaticContact CE1-CD1 4Å; F236-Y255 HydrophobicContact CE1-CD1 4Å; F236-Y255 HydrophobicContact CZ-CD1 4.14Å; G253-Y255 WeakPolarHBondContact O-CD1 3.24Å; Y255-V271 HydrophobicContact CE2-CG1 4.26Å; Y255-I275 HydrophobicContact CD1-CG2 4.3Å; Y255-I275 HydrophobicContact CE1-CB 4.18Å; Y255-I275 HydrophobicContact CE1-CD1 4.43Å; Y255-I275 HydrophobicContact CE1-CG2 3.82Å
256A95.8Very high94.7Very high58 Ų5862 Ų6248%0.47933%0.334SS..PPolyproline II helixtrans-68.4140.1-179.200000111Y227Y227-A256 WeakPolarHBondContact CE2-O 3.27Å; Y227-A256 PolarHBondContact OH-O 3.05Å; Y227-A256 VanDerWaalsContact OH-O 3.07Å
257P96.7Very high95.1Very high118 Ų11861.9 Ų61.977%0.76633%0.333SS*.PPolyproline II helixtrans-67.9147.4175.628.3-34.2000111.3
258L97.9Very high95.5Very high15 Ų1564.9 Ų64.98%0.07934%0.342CS..PPolyproline II helixtrans-70.4145.4172.2-66.1175.8000111Y227 A230 A231 K260 Y263 L267 R268 V271Y227-L258 HydrophobicContact CD2-CD1 4.33Å; Y227-L258 HydrophobicContact CD2-CD2 3.8Å; Y227-L258 HydrophobicContact CD2-CG 3.93Å; Y227-L258 HydrophobicContact CE2-CD2 3.64Å; Y227-L258 HydrophobicContact CE2-CG 3.92Å; Y227-L258 HydrophobicContact CG-CD2 4.42Å; A230-L258 HydrophobicContact CB-CD1 3.76Å; A230-L258 HydrophobicContact CB-CD2 3.69Å; A230-L258 HydrophobicContact CB-CG 4.37Å; A231-L258 HydrophobicContact CB-CD2 3.82Å; L258-K260 PolarHBondContact O-N 2.97Å; L258-Y263 HydrophobicContact CB-CD2 4.36Å; L258-L267 HydrophobicContact CD1-CD2 3.42Å; L258-L267 VanDerWaalsContact CD1-CD2 3.42Å; L258-R268 HydrophobicContact CB-CG 4.02Å; L258-R268 HydrophobicContact CD1-CG 4.48Å; L258-V271 HydrophobicContact CD1-CG2 4.11Å
259P96.2Very high95.9Very high55 Ų5567.2 Ų67.236%0.35735%0.353SS..PPolyproline II helixtrans-61.8118.5-178.8-20.931.6000112.5E261 I262 Y263P259-E261 PolarHBondContact O-N 2.86Å; P259-I262 HydrophobicContact CB-CB 4.2Å; P259-I262 HydrophobicContact CB-CD1 3.96Å; P259-I262 HydrophobicContact CB-CG1 4Å; P259-I262 HydrophobicContact CG-CD1 4.27Å; P259-I262 PolarHBondContact O-N 3.37Å; P259-Y263 PolarHBondContact O-N 2.91Å
260K97.1Very high96.2Very high148 Ų14865.1 Ų65.164%0.64334%0.344SS*.THydrogen-bonded Turntrans-70.3-19.2-175.264.4179.5-179.3-179.20113.7L258 I262L258-K260 PolarHBondContact O-N 2.97Å; K260-I262 VanDerWaalsContact C-N 3.31Å
261E96.7Very high96.4Very high143 Ų14365.2 Ų65.267%0.66835%0.345SS*.THydrogen-bonded Turntrans-81.3-16.8178.8-61.170-163.400111.6P259P259-E261 PolarHBondContact O-N 2.86Å
262I97Very high96.7Very high92 Ų9265 Ų6547%0.47235%0.348SS..THydrogen-bonded Turntrans-111.5-40.1-175.3-55.5-176.7000110.8L132 P259 K260L132-I262 HydrophobicContact CD1-CD1 3.59Å; L132-I262 HydrophobicContact CD1-CG2 4.16Å; P259-I262 HydrophobicContact CB-CB 4.2Å; P259-I262 HydrophobicContact CB-CD1 3.96Å; P259-I262 HydrophobicContact CB-CG1 4Å; P259-I262 HydrophobicContact CG-CD1 4.27Å; P259-I262 PolarHBondContact O-N 3.37Å; K260-I262 VanDerWaalsContact C-N 3.31Å
263Y98.2Very high97Very high3 Ų361.2 Ų61.21%0.01233%0.334CS..SBendtrans-117135.7-175.6-63.1-64.2000112.1L132 I133 E135 I138 A230 L258 P259 L267 R268L132-Y263 HydrophobicContact CD1-CE2 4.29Å; I133-Y263 PolarHBondContact O-OH 2.76Å; E135-Y263 HydrophobicContact CB-CD1 4Å; E135-Y263 HydrophobicContact CB-CE1 4.24Å; E135-Y263 HydrophobicContact CG-CD1 4.44Å; E135-Y263 WeakPolarHBondContact OE2-CA 3.15Å; I138-Y263 HydrophobicContact CD1-CD1 4.33Å; I138-Y263 HydrophobicContact CD1-CE1 3.55Å; A230-Y263 HydrophobicContact CB-CD2 4.11Å; A230-Y263 HydrophobicContact CB-CE1 4.18Å; A230-Y263 HydrophobicContact CB-CE2 3.69Å; A230-Y263 PolarHBondContact O-OH 3.21Å; L258-Y263 HydrophobicContact CB-CD2 4.36Å; P259-Y263 PolarHBondContact O-N 2.91Å; Y263-L267 HydrophobicContact CD1-CD1 3.96Å; Y263-L267 HydrophobicContact CG-CD2 4.35Å; Y263-R268 PolarHBondContact O-NE 3.18Å; Y263-R268 VanDerWaalsContact O-NE 3.11Å
264S98.1Very high97.3Very high27 Ų2760.1 Ų60.119%0.18932%0.323CS..  trans-54.6162.4-179.971.20000113.6E135 E266 L267 R268E135-S264 WeakPolarHBondContact OE1-CB 3.33Å; E135-S264 PolarHBondContact OE1-OG 3.34Å; E135-S264 WeakPolarHBondContact OE2-CB 3.43Å; E135-S264 PolarHBondContact OE2-N 3.19Å; S264-E266 VanDerWaalsContact CB-OE2 3.24Å; S264-E266 WeakPolarHBondContact CB-OE2 3.4Å; S264-E266 PolarHBondContact O-N 3.27Å; S264-E266 PolarHBondContact OG-OE2 3.09Å; S264-L267 PolarHBondContact OG-N 2.82Å; S264-L267 VanDerWaalsContact OG-N 3.11Å; S264-R268 VanDerWaalsContact O-CG 3.3Å; S264-R268 WeakPolarHBondContact O-CG 3.1Å; S264-R268 PolarHBondContact O-N 3.41Å; S264-R268 PolarHBondContact O-NE 3.02Å
265A98.3Very high97.7Very high45 Ų4555.7 Ų55.737%0.37230%0.299SS..Hα-helixtrans-62.4-39.8174.600000111L267 R268 E269A265-L267 PolarHBondContact O-N 2.9Å; A265-R268 VanDerWaalsContact CA-NH2 3.28Å; A265-R268 PolarHBondContact O-N 2.78Å; A265-E269 VanDerWaalsContact O-CB 3.23Å; A265-E269 WeakPolarHBondContact O-CB 3.47Å; A265-E269 PolarHBondContact O-N 3.42Å
266E98.4Very high97.8Very high92 Ų9256.8 Ų56.843%0.4331%0.305SS..Hα-helixtrans-61.7-45.8-178-62.879.2-178.100111.4S264 L270 M295S264-E266 VanDerWaalsContact CB-OE2 3.24Å; S264-E266 WeakPolarHBondContact CB-OE2 3.4Å; S264-E266 PolarHBondContact O-N 3.27Å; S264-E266 PolarHBondContact OG-OE2 3.09Å; E266-L270 VanDerWaalsContact O-CB 3.24Å; E266-L270 WeakPolarHBondContact O-CB 3.43Å; E266-L270 PolarHBondContact O-N 3.24Å; E266-M295 HydrophobicContact CB-CE 3.81Å; E266-M295 HydrophobicContact CB-CG 4.34Å; E266-M295 HydrophobicContact CB-SD 3.81Å; E266-M295 HydrophobicContact CG-CE 4.14Å; E266-M295 HydrophobicContact CG-SD 3.79Å
267L98.7Very high97.7Very high0 Ų058.6 Ų58.60%030%0.302CS..Hα-helixtrans-63.8-46.3176.5-172.8153.8000111E135 I138 W139 L226 A230 L258 Y263 S264 A265 L270 V271E135-L267 HydrophobicContact CG-CD1 3.92Å; I138-L267 HydrophobicContact CB-CD1 4.48Å; I138-L267 HydrophobicContact CD1-CD1 4.13Å; I138-L267 HydrophobicContact CG2-CD1 4.1Å; W139-L267 HydrophobicContact CZ2-CB 3.78Å; W139-L267 HydrophobicContact CZ2-CD1 4.48Å; W139-L267 HydrophobicContact CZ2-CG 4.26Å; L226-L267 HydrophobicContact CD1-CG 4.44Å; A230-L267 HydrophobicContact CB-CD2 4.21Å; L258-L267 HydrophobicContact CD1-CD2 3.42Å; L258-L267 VanDerWaalsContact CD1-CD2 3.42Å; Y263-L267 HydrophobicContact CD1-CD1 3.96Å; Y263-L267 HydrophobicContact CG-CD2 4.35Å; S264-L267 PolarHBondContact OG-N 2.82Å; S264-L267 VanDerWaalsContact OG-N 3.11Å; A265-L267 PolarHBondContact O-N 2.9Å; L267-L270 PolarHBondContact O-N 3.22Å; L267-V271 HydrophobicContact CD2-CG2 4.35Å; L267-V271 WeakPolarHBondContact O-CG2 3.44Å; L267-V271 PolarHBondContact O-N 3.15Å; L267-V271 VanDerWaalsContact O-N 3.11Å
268R98.6Very high97.6Very high80 Ų8057.5 Ų57.530%0.30229%0.287SS..Hα-helixtrans-66.1-40.7-177.7-67.9-174.6-71.397.6-3.9112.1L258 Y263 S264 A265 T272L258-R268 HydrophobicContact CB-CG 4.02Å; L258-R268 HydrophobicContact CD1-CG 4.48Å; Y263-R268 PolarHBondContact O-NE 3.18Å; Y263-R268 VanDerWaalsContact O-NE 3.11Å; S264-R268 VanDerWaalsContact O-CG 3.3Å; S264-R268 WeakPolarHBondContact O-CG 3.1Å; S264-R268 PolarHBondContact O-N 3.41Å; S264-R268 PolarHBondContact O-NE 3.02Å; A265-R268 VanDerWaalsContact CA-NH2 3.28Å; A265-R268 PolarHBondContact O-N 2.78Å; R268-T272 PolarHBondContact O-N 3.18Å; R268-T272 VanDerWaalsContact O-N 3.12Å; R268-T272 PolarHBondContact O-OG1 3.42Å
269E98.4Very high97.6Very high128 Ų12857.7 Ų57.760%0.59829%0.289SS*.Hα-helixtrans-67.7-44.8177-174.9168.5-164.900110.7A265 V271 T272 V273A265-E269 VanDerWaalsContact O-CB 3.23Å; A265-E269 WeakPolarHBondContact O-CB 3.47Å; A265-E269 PolarHBondContact O-N 3.42Å; E269-V271 VanDerWaalsContact C-N 3.3Å; E269-V271 PolarHBondContact O-N 3.19Å; E269-T272 CarbonylContact O-C 3.5Å; E269-T272 WeakPolarHBondContact O-CA 2.98Å; E269-T272 WeakPolarHBondContact O-CB 3.49Å; E269-T272 PolarHBondContact O-N 3.42Å; E269-V273 HydrophobicContact CG-CG1 4.35Å; E269-V273 WeakPolarHBondContact O-CG2 3.15Å; E269-V273 PolarHBondContact O-N 2.73Å
270L98.7Very high97.6Very high4 Ų460.7 Ų60.72%0.02131%0.306CS..Hα-helixtrans-58.4-42.2178-170.959.6000112.1W139 F142 L226 E266 L267 T272 V273 C274 I288 I291W139-L270 HydrophobicContact CH2-CD2 3.55Å; W139-L270 HydrophobicContact CZ3-CD2 3.75Å; F142-L270 HydrophobicContact CE1-CD2 3.81Å; L226-L270 HydrophobicContact CD2-CB 4.17Å; L226-L270 HydrophobicContact CD2-CD2 3.88Å; L226-L270 HydrophobicContact CD2-CG 3.99Å; E266-L270 VanDerWaalsContact O-CB 3.24Å; E266-L270 WeakPolarHBondContact O-CB 3.43Å; E266-L270 PolarHBondContact O-N 3.24Å; L267-L270 PolarHBondContact O-N 3.22Å; L270-T272 VanDerWaalsContact C-N 3.35Å; L270-V273 HydrophobicContact CD1-CG2 4.19Å; L270-V273 WeakPolarHBondContact O-CG2 3.2Å; L270-C274 WeakPolarHBondContact O-CB 3.26Å; L270-C274 PolarHBondContact O-N 2.82Å; L270-C274 VanDerWaalsContact O-N 3.09Å; L270-C274 PolarHBondContact O-SG 2.84Å; L270-I288 HydrophobicContact CD1-CG1 4.05Å; L270-I288 HydrophobicContact CD1-CG2 4.34Å; L270-I288 HydrophobicContact CD2-CG2 4.3Å; L270-I291 HydrophobicContact CD1-CD1 3.97Å; L270-I291 HydrophobicContact CD2-CG2 4.1Å
271V98.7Very high97.6Very high3 Ų358.4 Ų58.42%0.01830%0.302CS..Hα-helixtrans-57.6-48.9171.2167.60000110.9L226 Y227 Y255 L258 L267 E269 V273 C274 I275L226-V271 HydrophobicContact CB-CG2 4.08Å; L226-V271 HydrophobicContact CD2-CG2 3.68Å; L226-V271 HydrophobicContact CG-CG2 3.63Å; Y227-V271 HydrophobicContact CD2-CG1 3.99Å; Y255-V271 HydrophobicContact CE2-CG1 4.26Å; L258-V271 HydrophobicContact CD1-CG2 4.11Å; L267-V271 HydrophobicContact CD2-CG2 4.35Å; L267-V271 WeakPolarHBondContact O-CG2 3.44Å; L267-V271 PolarHBondContact O-N 3.15Å; L267-V271 VanDerWaalsContact O-N 3.11Å; E269-V271 VanDerWaalsContact C-N 3.3Å; E269-V271 PolarHBondContact O-N 3.19Å; V271-V273 PolarHBondContact O-N 2.82Å; V271-C274 PolarHBondContact O-N 2.96Å; V271-I275 HydrophobicContact CG1-CD1 3.75Å; V271-I275 WeakPolarHBondContact O-CG1 3.34Å; V271-I275 PolarHBondContact O-N 2.88Å
272T98.1Very high97.6Very high64 Ų6452.3 Ų52.339%0.39327%0.272SS..Hα-helixtrans-63.9-39.1-175.7-57.60000112.7R268 E269 L270 Q276R268-T272 PolarHBondContact O-N 3.18Å; R268-T272 VanDerWaalsContact O-N 3.12Å; R268-T272 PolarHBondContact O-OG1 3.42Å; E269-T272 CarbonylContact O-C 3.5Å; E269-T272 WeakPolarHBondContact O-CA 2.98Å; E269-T272 WeakPolarHBondContact O-CB 3.49Å; E269-T272 PolarHBondContact O-N 3.42Å; L270-T272 VanDerWaalsContact C-N 3.35Å; T272-Q276 PolarHBondContact O-NE2 3.35Å
273V98Very high97.7Very high44 Ų4449 Ų4927%0.26726%0.257SS..Hα-helixtrans-76.7-28178.1-58.70000112.4E269 L270 V271 Q276 P283E269-V273 HydrophobicContact CG-CG1 4.35Å; E269-V273 WeakPolarHBondContact O-CG2 3.15Å; E269-V273 PolarHBondContact O-N 2.73Å; L270-V273 HydrophobicContact CD1-CG2 4.19Å; L270-V273 WeakPolarHBondContact O-CG2 3.2Å; V271-V273 PolarHBondContact O-N 2.82Å; V273-Q276 WeakPolarHBondContact O-CG 3.45Å; V273-P283 HydrophobicContact CG2-CG 3.95Å; V273-P283 WeakPolarHBondContact O-CD 3.12Å
274C98.5Very high97.7Very high0 Ų053.3 Ų53.30%028%0.283CS..Hα-helixtrans-75-34.6175.3-67.10000112.6I219 L270 V271 Q276 R282I219-C274 HydrophobicContact CG2-CB 4.06Å; L270-C274 WeakPolarHBondContact O-CB 3.26Å; L270-C274 PolarHBondContact O-N 2.82Å; L270-C274 VanDerWaalsContact O-N 3.09Å; L270-C274 PolarHBondContact O-SG 2.84Å; V271-C274 PolarHBondContact O-N 2.96Å; C274-Q276 PolarHBondContact O-N 3.21Å; C274-R282 WeakPolarHBondContact O-CD 3.27Å
275I97.7Very high97.7Very high6 Ų652.2 Ų52.23%0.03128%0.276CS..THydrogen-bonded Turntrans-93.233.1-179.4-49.3175.3000110.6W220 P235 F236 Y255 V271W220-I275 HydrophobicContact CD2-CG2 4.3Å; W220-I275 HydrophobicContact CE3-CB 4.41Å; W220-I275 HydrophobicContact CE3-CG2 3.95Å; W220-I275 HydrophobicContact CH2-CG2 3.5Å; W220-I275 VanDerWaalsContact CH2-CG2 3.5Å; W220-I275 HydrophobicContact CZ2-CG2 3.85Å; W220-I275 HydrophobicContact CZ3-CB 4.32Å; W220-I275 HydrophobicContact CZ3-CG2 3.54Å; W220-I275 WeakPolarHBondContact CZ3-O 3.42Å; P235-I275 HydrophobicContact CB-CD1 4.4Å; P235-I275 HydrophobicContact CG-CD1 4.11Å; F236-I275 HydrophobicContact CE2-CG2 4.03Å; F236-I275 HydrophobicContact CZ-CG2 3.6Å; Y255-I275 HydrophobicContact CD1-CG2 4.3Å; Y255-I275 HydrophobicContact CE1-CB 4.18Å; Y255-I275 HydrophobicContact CE1-CD1 4.43Å; Y255-I275 HydrophobicContact CE1-CG2 3.82Å; V271-I275 HydrophobicContact CG1-CD1 3.75Å; V271-I275 WeakPolarHBondContact O-CG1 3.34Å; V271-I275 PolarHBondContact O-N 2.88Å
276Q97.2Very high97.7Very high67 Ų6753.2 Ų53.231%0.31328%0.277SS..  trans-72.1136.4171.3-72.4-64.7-3600110.7W220 T272 V273 C274 E278 N281 R282W220-Q276 WeakPolarHBondContact CZ3-O 3.43Å; T272-Q276 PolarHBondContact O-NE2 3.35Å; V273-Q276 WeakPolarHBondContact O-CG 3.45Å; C274-Q276 PolarHBondContact O-N 3.21Å; Q276-E278 PolarHBondContact O-N 3.36Å; Q276-N281 HydrophobicContact CB-CB 4.02Å; Q276-N281 HydrophobicContact CG-CB 4.24Å; Q276-R282 HydrophobicContact CB-CG 4.02Å; Q276-R282 PolarHBondContact O-NE 3.16Å; Q276-R282 PolarHBondContact O-NH2 2.8Å; Q276-R282 VanDerWaalsContact O-NH2 3.16Å
277K95.1Very high97.8Very high97 Ų9753.5 Ų53.542%0.42228%0.278SS..SBendtrans-60.6-46.5-179.4-70.8-176.9-74.9-163.10111.8E251 H252 P279 R282E251-K277 WeakPolarHBondContact O-CD 3.49Å; H252-K277 PolarHBondContact O-NZ 3.34Å; K277-P279 WeakPolarHBondContact O-CD 2.95Å; K277-R282 PolarHBondContact O-NH2 2.97Å
278E94.9Very high97.8Very high95 Ų9553.5 Ų53.544%0.44428%0.278SS..SBendtrans-79120.9178.2-166.558.2-139.100109.9Q276 T280 N281Q276-E278 PolarHBondContact O-N 3.36Å; E278-T280 WeakPolarHBondContact CG-OG1 3.45Å; E278-T280 PolarHBondContact O-N 3.3Å; E278-N281 HydrophobicContact CB-CB 4.36Å; E278-N281 PolarHBondContact O-N 3.32Å; E278-N281 VanDerWaalsContact O-N 3.07Å
279P96.1Very high97.8Very high19 Ų1952.3 Ų52.312%0.12327%0.274CS..G310 helixtrans-58-34.8-177.4-24.434.1000113.2E206 A216 K277 N281 R282E206-P279 HydrophobicContact CB-CG 4.24Å; E206-P279 HydrophobicContact CG-CG 4.11Å; A216-P279 HydrophobicContact CB-CB 3.8Å; K277-P279 WeakPolarHBondContact O-CD 2.95Å; P279-N281 PolarHBondContact O-N 3.15Å; P279-R282 WeakPolarHBondContact O-CB 3.18Å; P279-R282 PolarHBondContact O-N 3.15Å; P279-R282 VanDerWaalsContact O-N 3.15Å
280T96.2Very high97.8Very high117 Ų11750.3 Ų50.372%0.71827%0.267SS*.G310 helixtrans-69.2-17.2-179.960.20000113.9E278 R282E278-T280 WeakPolarHBondContact CG-OG1 3.45Å; E278-T280 PolarHBondContact O-N 3.3Å; T280-R282 VanDerWaalsContact C-N 3.33Å
281N97.5Very high97.8Very high101 Ų10152 Ų5254%0.5428%0.276SS..G310 helixtrans-88.1-6.2177.2-66.6-6.6000112.3Q276 E278 P279Q276-N281 HydrophobicContact CB-CB 4.02Å; Q276-N281 HydrophobicContact CG-CB 4.24Å; E278-N281 HydrophobicContact CB-CB 4.36Å; E278-N281 PolarHBondContact O-N 3.32Å; E278-N281 VanDerWaalsContact O-N 3.07Å; P279-N281 PolarHBondContact O-N 3.15Å
282R98.2Very high97.8Very high15 Ų1551.8 Ų51.86%0.05728%0.275CS..SBendtrans-81.5141176.8-57.5176.9-1621479.9109.4E206 A216 I219 C274 Q276 K277 P279 T280E206-R282 IonicContact OE1-CZ 3.67Å; E206-R282 IonicContact OE1-NH1 2.75Å; E206-R282 PolarHBondContact OE1-NH1 3.28Å; E206-R282 IonicContact OE1-NH2 3.68Å; E206-R282 IonicContact OE2-CZ 3.52Å; E206-R282 IonicContact OE2-NH1 3.36Å; E206-R282 PolarHBondContact OE2-NH1 2.81Å; E206-R282 IonicContact OE2-NH2 2.77Å; E206-R282 PolarHBondContact OE2-NH2 2.95Å; A216-R282 VanDerWaalsContact C-NH1 3.31Å; A216-R282 WeakPolarHBondContact O-CD 3.42Å; A216-R282 PolarHBondContact O-NH1 2.82Å; I219-R282 HydrophobicContact CB-CB 4.35Å; I219-R282 HydrophobicContact CG2-CB 3.93Å; C274-R282 WeakPolarHBondContact O-CD 3.27Å; Q276-R282 HydrophobicContact CB-CG 4.02Å; Q276-R282 PolarHBondContact O-NE 3.16Å; Q276-R282 PolarHBondContact O-NH2 2.8Å; Q276-R282 VanDerWaalsContact O-NH2 3.16Å; K277-R282 PolarHBondContact O-NH2 2.97Å; P279-R282 WeakPolarHBondContact O-CB 3.18Å; P279-R282 PolarHBondContact O-N 3.15Å; P279-R282 VanDerWaalsContact O-N 3.15Å; T280-R282 VanDerWaalsContact C-N 3.33Å
283P98.3Very high97.8Very high23 Ų2353 Ų5315%0.14928%0.275CS..PPolyproline II helixtrans-69.7162.5178.128.3-33.5000111.8V273 H287 I288V273-P283 HydrophobicContact CG2-CG 3.95Å; V273-P283 WeakPolarHBondContact O-CD 3.12Å; P283-H287 HydrophobicContact CB-CB 4.35Å; P283-I288 HydrophobicContact CB-CG1 4.28Å; P283-I288 HydrophobicContact CG-CD1 3.88Å; P283-I288 HydrophobicContact CG-CG1 3.74Å
284T98.2Very high97.8Very high92 Ų9256.5 Ų56.556%0.56429%0.288SS*.PPolyproline II helixtrans-70.9154.5169.964.30000110.9T286 H287 I288T284-T286 PolarHBondContact O-N 2.89Å; T284-H287 WeakPolarHBondContact O-CB 3.07Å; T284-H287 PolarHBondContact O-N 2.82Å; T284-H287 VanDerWaalsContact O-N 3.12Å; T284-H287 PolarHBondContact OG1-N 2.77Å; T284-I288 PolarHBondContact O-N 2.83Å; T284-I288 VanDerWaalsContact O-N 3.14Å
285I98.6Very high97.7Very high5 Ų557.1 Ų57.13%0.02629%0.291CS..Hα-helixtrans-60.4-33.6176.3-174.453.7000112.6L149 D150 H153 I219 L222 H287 I288 Y289L149-I285 HydrophobicContact CB-CD1 4.03Å; L149-I285 HydrophobicContact CB-CG1 3.91Å; L149-I285 HydrophobicContact CD2-CD1 3.74Å; L149-I285 HydrophobicContact CD2-CG1 4.04Å; L149-I285 HydrophobicContact CG-CD1 4.11Å; L149-I285 HydrophobicContact CG-CG1 3.9Å; D150-I285 HydrophobicContact CB-CG1 3.97Å; D150-I285 HydrophobicContact CB-CG2 4.3Å; H153-I285 HydrophobicContact CB-CG2 3.67Å; H153-I285 VanDerWaalsContact ND1-CG2 3.35Å; H153-I285 WeakPolarHBondContact ND1-CG2 3.24Å; I219-I285 HydrophobicContact CD1-CB 3.87Å; I219-I285 HydrophobicContact CD1-CD1 4.39Å; L222-I285 HydrophobicContact CD2-CD1 3.58Å; I285-H287 VanDerWaalsContact C-N 3.31Å; I285-H287 PolarHBondContact O-N 2.78Å; I285-I288 HydrophobicContact CD1-CB 4.21Å; I285-I288 HydrophobicContact CD1-CD1 4.42Å; I285-I288 HydrophobicContact CD1-CG2 4.31Å; I285-I288 PolarHBondContact O-N 3.22Å; I285-Y289 WeakPolarHBondContact O-CB 3.31Å; I285-Y289 PolarHBondContact O-N 2.99Å
286T98.6Very high97.7Very high66 Ų6658.8 Ų58.841%0.40530%0.299SS..Hα-helixtrans-62-40.5176.4-49.10000111.5D150 T284 Y289 N290D150-T286 WeakPolarHBondContact OD1-CA 3.4Å; D150-T286 WeakPolarHBondContact OD1-CB 3.5Å; D150-T286 PolarHBondContact OD1-N 2.81Å; D150-T286 PolarHBondContact OD1-OG1 2.81Å; T284-T286 PolarHBondContact O-N 2.89Å; T286-Y289 PolarHBondContact O-N 3.35Å; T286-N290 VanDerWaalsContact O-CG 3.25Å; T286-N290 PolarHBondContact O-N 2.97Å; T286-N290 VanDerWaalsContact O-N 3.09Å; T286-N290 PolarHBondContact O-ND2 3.05Å
287H98.5Very high97.7Very high97 Ų9758.1 Ų58.145%0.44930%0.296SS..Hα-helixtrans-64.6-46.1175-179.472.2000111.6P283 T284 I285 Y289 N290 I291P283-H287 HydrophobicContact CB-CB 4.35Å; T284-H287 WeakPolarHBondContact O-CB 3.07Å; T284-H287 PolarHBondContact O-N 2.82Å; T284-H287 VanDerWaalsContact O-N 3.12Å; T284-H287 PolarHBondContact OG1-N 2.77Å; I285-H287 VanDerWaalsContact C-N 3.31Å; I285-H287 PolarHBondContact O-N 2.78Å; H287-Y289 VanDerWaalsContact C-N 3.35Å; H287-Y289 PolarHBondContact O-N 3.4Å; H287-N290 PolarHBondContact O-N 2.82Å; H287-I291 WeakPolarHBondContact NE2-CD1 3.43Å; H287-I291 PolarHBondContact O-N 3.49Å; H287-I291 VanDerWaalsContact O-N 3.14Å
288I98.8Very high97.8Very high0 Ų056.2 Ų56.20%029%0.29CS..Hα-helixtrans-59.8-44.8177-66.4159.4000111.4F142 I219 L222 L270 P283 T284 I285 N290 I291 A292F142-I288 HydrophobicContact CE1-CG2 3.76Å; F142-I288 HydrophobicContact CZ-CG2 4.04Å; I219-I288 HydrophobicContact CD1-CD1 3.8Å; I219-I288 HydrophobicContact CG1-CD1 4.45Å; I219-I288 HydrophobicContact CG2-CD1 3.61Å; L222-I288 HydrophobicContact CD2-CD1 4.37Å; L222-I288 HydrophobicContact CD2-CG2 4.01Å; L270-I288 HydrophobicContact CD1-CG1 4.05Å; L270-I288 HydrophobicContact CD1-CG2 4.34Å; L270-I288 HydrophobicContact CD2-CG2 4.3Å; P283-I288 HydrophobicContact CB-CG1 4.28Å; P283-I288 HydrophobicContact CG-CD1 3.88Å; P283-I288 HydrophobicContact CG-CG1 3.74Å; T284-I288 PolarHBondContact O-N 2.83Å; T284-I288 VanDerWaalsContact O-N 3.14Å; I285-I288 HydrophobicContact CD1-CB 4.21Å; I285-I288 HydrophobicContact CD1-CD1 4.42Å; I285-I288 HydrophobicContact CD1-CG2 4.31Å; I285-I288 PolarHBondContact O-N 3.22Å; I288-N290 VanDerWaalsContact C-N 3.32Å; I288-N290 PolarHBondContact O-N 2.91Å; I288-I291 PolarHBondContact O-N 2.98Å; I288-A292 WeakPolarHBondContact O-CB 3.06Å; I288-A292 PolarHBondContact O-N 3.03Å
289Y98.8Very high97.7Very high56 Ų5654.7 Ų54.722%0.2228%0.284CS..Hα-helixtrans-61.7-40.8179172.6-132.1000111.7V143 D150 I285 T286 H287 A292 K293V143-Y289 HydrophobicContact CG2-CD2 4.29Å; V143-Y289 HydrophobicContact CG2-CE2 3.88Å; D150-Y289 HydrophobicContact CB-CD1 4.43Å; I285-Y289 WeakPolarHBondContact O-CB 3.31Å; I285-Y289 PolarHBondContact O-N 2.99Å; T286-Y289 PolarHBondContact O-N 3.35Å; H287-Y289 VanDerWaalsContact C-N 3.35Å; H287-Y289 PolarHBondContact O-N 3.4Å; Y289-A292 PolarHBondContact O-N 2.61Å; Y289-K293 WeakPolarHBondContact O-CB 3.46Å; Y289-K293 PolarHBondContact O-N 3.18Å
290N98.5Very high97.5Very high85 Ų8556.8 Ų56.846%0.45530%0.295SS..Hα-helixtrans-62.8-45.4176.5-71.5-28000112.2T286 H287 I288 A292 K293 E294T286-N290 VanDerWaalsContact O-CG 3.25Å; T286-N290 PolarHBondContact O-N 2.97Å; T286-N290 VanDerWaalsContact O-N 3.09Å; T286-N290 PolarHBondContact O-ND2 3.05Å; H287-N290 PolarHBondContact O-N 2.82Å; I288-N290 VanDerWaalsContact C-N 3.32Å; I288-N290 PolarHBondContact O-N 2.91Å; N290-A292 VanDerWaalsContact C-N 3.34Å; N290-A292 PolarHBondContact O-N 3.18Å; N290-K293 PolarHBondContact O-N 2.82Å; N290-E294 PolarHBondContact O-N 3.17Å
291I98.4Very high97Very high39 Ų3954.6 Ų54.620%0.230%0.295CS..Hα-helixtrans-59.3-47.3174.3-66.5170000110.3W139 L270 H287 I288 K293 E294 M295W139-I291 HydrophobicContact CH2-CG2 4.22Å; L270-I291 HydrophobicContact CD1-CD1 3.97Å; L270-I291 HydrophobicContact CD2-CG2 4.1Å; H287-I291 WeakPolarHBondContact NE2-CD1 3.43Å; H287-I291 PolarHBondContact O-N 3.49Å; H287-I291 VanDerWaalsContact O-N 3.14Å; I288-I291 PolarHBondContact O-N 2.98Å; I291-K293 VanDerWaalsContact C-N 3.26Å; I291-K293 PolarHBondContact O-N 3.34Å; I291-E294 PolarHBondContact O-N 2.93Å; I291-M295 HydrophobicContact CG2-CG 4.28Å; I291-M295 WeakPolarHBondContact O-CB 3.16Å; I291-M295 WeakPolarHBondContact O-CG 3.28Å; I291-M295 PolarHBondContact O-N 3.29Å
292A98.7Very high96Very high0 Ų057 Ų570%030%0.301CS..Hα-helixtrans-61.8-36.6-179.400000112.4W139 F142 V143 I288 Y289 N290 H296W139-A292 HydrophobicContact CE3-CB 4Å; W139-A292 HydrophobicContact CZ3-CB 3.89Å; F142-A292 HydrophobicContact CD1-CB 3.84Å; F142-A292 HydrophobicContact CE1-CB 4.33Å; V143-A292 HydrophobicContact CB-CB 4.14Å; V143-A292 HydrophobicContact CG2-CB 4.37Å; I288-A292 WeakPolarHBondContact O-CB 3.06Å; I288-A292 PolarHBondContact O-N 3.03Å; Y289-A292 PolarHBondContact O-N 2.61Å; N290-A292 VanDerWaalsContact C-N 3.34Å; N290-A292 PolarHBondContact O-N 3.18Å; A292-H296 WeakPolarHBondContact O-CB 3.47Å; A292-H296 PolarHBondContact O-N 2.91Å
293K98.2Very high94.9Very high89 Ų8959.9 Ų59.939%0.38732%0.316SS..Hα-helixtrans-66.9-49.2176.1-173.7-175.7173.1-168.10111.4V143 Y289 N290 I291 H296 E297V143-K293 HydrophobicContact CG2-CB 4.1Å; Y289-K293 WeakPolarHBondContact O-CB 3.46Å; Y289-K293 PolarHBondContact O-N 3.18Å; N290-K293 PolarHBondContact O-N 2.82Å; I291-K293 VanDerWaalsContact C-N 3.26Å; I291-K293 PolarHBondContact O-N 3.34Å; K293-H296 PolarHBondContact O-N 3.22Å; K293-E297 WeakPolarHBondContact CE-OE1 3.3Å; K293-E297 WeakPolarHBondContact O-CB 3.46Å; K293-E297 WeakPolarHBondContact O-CG 3.1Å; K293-E297 PolarHBondContact O-N 3.37Å
294E98.1Very high93.4Very high118 Ų11863.8 Ų63.855%0.55134%0.344SS*.Hα-helixtrans-58.2-50.6177.9-178.3176.1-17600111.4N290 I291 H296 E297 L298N290-E294 PolarHBondContact O-N 3.17Å; I291-E294 PolarHBondContact O-N 2.93Å; E294-H296 VanDerWaalsContact C-N 3.32Å; E294-H296 PolarHBondContact O-N 2.94Å; E294-E297 PolarHBondContact O-N 2.91Å; E294-E297 VanDerWaalsContact O-N 3.14Å; E294-L298 WeakPolarHBondContact O-CB 3.46Å; E294-L298 PolarHBondContact O-N 2.83Å
295M98.1Very high91.6Very high12 Ų1263.8 Ų63.86%0.05935%0.348CS..Hα-helixtrans-62.9-38.4179-70-59.2-68.400112.4W139 E266 I291 L298 L299W139-M295 HydrophobicContact CD2-CB 3.58Å; W139-M295 HydrophobicContact CD2-CG 4.33Å; W139-M295 HydrophobicContact CE3-CB 4Å; W139-M295 HydrophobicContact CG-CB 3.93Å; W139-M295 HydrophobicContact CH2-CB 4.33Å; W139-M295 HydrophobicContact CH2-CG 4.11Å; W139-M295 HydrophobicContact CZ2-CB 3.96Å; W139-M295 HydrophobicContact CZ2-CE 4.28Å; W139-M295 HydrophobicContact CZ2-CG 3.76Å; W139-M295 HydrophobicContact CZ3-CB 4.36Å; E266-M295 HydrophobicContact CB-CE 3.81Å; E266-M295 HydrophobicContact CB-CG 4.34Å; E266-M295 HydrophobicContact CB-SD 3.81Å; E266-M295 HydrophobicContact CG-CE 4.14Å; E266-M295 HydrophobicContact CG-SD 3.79Å; I291-M295 HydrophobicContact CG2-CG 4.28Å; I291-M295 WeakPolarHBondContact O-CB 3.16Å; I291-M295 WeakPolarHBondContact O-CG 3.28Å; I291-M295 PolarHBondContact O-N 3.29Å; M295-L298 HydrophobicContact SD-CD2 4.28Å; M295-L299 WeakPolarHBondContact O-CB 3.22Å; M295-L299 WeakPolarHBondContact O-CG 3.42Å; M295-L299 PolarHBondContact O-N 3.05Å; M295-L299 VanDerWaalsContact O-N 3.08Å
296H97.7Very high89.3Confident42 Ų4268.3 Ų68.319%0.19438%0.38CS..Hα-helixtrans-64.9-40.2174.9-177.865.5000112.2W139 K140 V143 A292 K293 E294 N300W139-H296 HydrophobicContact CB-CB 4.36Å; K140-H296 WeakPolarHBondContact CA-ND1 3.5Å; V143-H296 HydrophobicContact CB-CB 4.31Å; V143-H296 HydrophobicContact CG1-CB 4.25Å; A292-H296 WeakPolarHBondContact O-CB 3.47Å; A292-H296 PolarHBondContact O-N 2.91Å; K293-H296 PolarHBondContact O-N 3.22Å; E294-H296 VanDerWaalsContact C-N 3.32Å; E294-H296 PolarHBondContact O-N 2.94Å; H296-N300 PolarHBondContact CE1-ND2 2.81Å; H296-N300 PolarHBondContact ND1-ND2 3.26Å; H296-N300 WeakPolarHBondContact O-CB 3.37Å; H296-N300 PolarHBondContact O-N 3.2Å; H296-N300 PolarHBondContact O-ND2 3.19Å
297E96.9Very high86.5Confident53 Ų5371 Ų7125%0.24840%0.399CS..Hα-helixtrans-70.8-42.8178.9-74172.4168.500111.8K293 E294 N300 G301 K302 I303K293-E297 WeakPolarHBondContact CE-OE1 3.3Å; K293-E297 WeakPolarHBondContact O-CB 3.46Å; K293-E297 WeakPolarHBondContact O-CG 3.1Å; K293-E297 PolarHBondContact O-N 3.37Å; E294-E297 PolarHBondContact O-N 2.91Å; E294-E297 VanDerWaalsContact O-N 3.14Å; E297-N300 CarbonylContact O-C 3.58Å; E297-N300 PolarHBondContact O-N 2.74Å; E297-G301 PolarHBondContact O-N 3.04Å; E297-K302 HydrophobicContact CB-CB 4.18Å; E297-K302 HydrophobicContact CG-CD 4.37Å; E297-K302 PolarHBondContact O-N 3.29Å; E297-I303 HydrophobicContact CB-CD1 3.71Å; E297-I303 HydrophobicContact CB-CG1 4.01Å; E297-I303 HydrophobicContact CG-CD1 4.48Å; E297-I303 WeakPolarHBondContact OE2-CD1 3.23Å
298L95.7Very high83.8Confident57 Ų5771.1 Ų71.130%0.29841%0.41SS..Hα-helixtrans-57-52.2175.4-177.467.9000111.5E294 M295 N300 G301 I303E294-L298 WeakPolarHBondContact O-CB 3.46Å; E294-L298 PolarHBondContact O-N 2.83Å; M295-L298 HydrophobicContact SD-CD2 4.28Å; L298-N300 PolarHBondContact O-N 2.7Å; L298-N300 VanDerWaalsContact O-N 3.16Å; L298-G301 PolarHBondContact O-N 2.84Å; L298-I303 WeakPolarHBondContact CD1-O 3.46Å
299L93.9Very high80.5Confident63 Ų6377.6 Ų77.633%0.3345%0.454SS..THydrogen-bonded Turntrans-72.2-8.7-178.5-67.3173.3000114.2E135 K136 W139 M295E135-L299 HydrophobicContact CG-CD1 4.19Å; K136-L299 HydrophobicContact CB-CB 4.48Å; K136-L299 HydrophobicContact CB-CD1 4.42Å; K136-L299 WeakPolarHBondContact CE-O 3.27Å; K136-L299 HydrophobicContact CG-CB 4.31Å; K136-L299 PolarHBondContact NZ-O 3.09Å; W139-L299 HydrophobicContact CG-CD1 4.25Å; M295-L299 WeakPolarHBondContact O-CB 3.22Å; M295-L299 WeakPolarHBondContact O-CG 3.42Å; M295-L299 PolarHBondContact O-N 3.05Å; M295-L299 VanDerWaalsContact O-N 3.08Å
300N92.3Very high77.3Confident63 Ų6379.6 Ų79.634%0.33748%0.476SS..THydrogen-bonded Turntrans-103.58.5171.1-73.9-63.9000113.3K136 H296 E297 L298 K302K136-N300 WeakPolarHBondContact CE-OD1 3.08Å; K136-N300 PolarHBondContact NZ-OD1 2.89Å; H296-N300 PolarHBondContact CE1-ND2 2.81Å; H296-N300 PolarHBondContact ND1-ND2 3.26Å; H296-N300 WeakPolarHBondContact O-CB 3.37Å; H296-N300 PolarHBondContact O-N 3.2Å; H296-N300 PolarHBondContact O-ND2 3.19Å; E297-N300 CarbonylContact O-C 3.58Å; E297-N300 PolarHBondContact O-N 2.74Å; L298-N300 PolarHBondContact O-N 2.7Å; L298-N300 VanDerWaalsContact O-N 3.16Å; N300-K302 PolarHBondContact O-N 2.94Å
301G85.8Confident74.2Confident70 Ų7083.8 Ų83.872%0.72249%0.493SS*.THydrogen-bonded Turntrans68.120.9176.900000113.8E297 L298E297-G301 PolarHBondContact O-N 3.04Å; L298-G301 PolarHBondContact O-N 2.84Å
302K76.5Confident71.3Confident153 Ų15389.9 Ų89.967%0.66553%0.525SS*.SBendtrans-85.4-22.1177.6-67.5-177.2175.8-179.70112.7E297 N300E297-K302 HydrophobicContact CB-CB 4.18Å; E297-K302 HydrophobicContact CG-CD 4.37Å; E297-K302 PolarHBondContact O-N 3.29Å; N300-K302 PolarHBondContact O-N 2.94Å
303I75.2Confident68.2Low74 Ų7496.1 Ų96.138%0.37956%0.559SS.*SBendtrans-131.1133.1176.8-61.2177000106.8E297 L298E297-I303 HydrophobicContact CB-CD1 3.71Å; E297-I303 HydrophobicContact CB-CG1 4.01Å; E297-I303 HydrophobicContact CG-CD1 4.48Å; E297-I303 WeakPolarHBondContact OE2-CD1 3.23Å; L298-I303 WeakPolarHBondContact CD1-O 3.46Å
304S66.5Low65.3Low105 Ų10597.6 Ų97.673%0.73458%0.579SS**  trans-79133.7168.852.10000109.3S306S304-S306 PolarHBondContact O-N 3.49Å
305S59.3Low62.6Low93 Ų93102.3 Ų102.365%0.6559%0.592SS**  trans-52.5114.5170.152.70000108.9
306S51.5Low59.8Low100 Ų100107.6 Ų107.670%0.69963%0.626SS**PPolyproline II helixtrans-64.2135.9168.359.20000107.4S304 S308S304-S306 PolarHBondContact O-N 3.49Å; S306-S308 PolarHBondContact O-N 3.31Å; S306-S308 VanDerWaalsContact O-N 3.09Å
307P39Very low57.5Low123 Ų123111.1 Ų111.180%0.79966%0.656SS**PPolyproline II helixtrans-66.6117.3175.925.8-28.8000107.4C309P307-C309 PolarHBondContact O-N 3.29Å; P307-C309 VanDerWaalsContact O-N 3.09Å
308S41.9Very low54.9Low99 Ų99113.6 Ų113.669%0.69268%0.679SS**PPolyproline II helixtrans-50.5119170.354.70000108.7S306 S310S306-S308 PolarHBondContact O-N 3.31Å; S306-S308 VanDerWaalsContact O-N 3.09Å; S308-S310 PolarHBondContact O-N 3.18Å; S308-S310 PolarHBondContact O-OG 3.17Å
309C28.9Very low52.7Low135 Ų135115.3 Ų115.391%0.91270%0.702SS**  trans-56.199.3176.9-164.90000109.6P307P307-C309 PolarHBondContact O-N 3.29Å; P307-C309 VanDerWaalsContact O-N 3.09Å
310S33.2Very low50.5Low99 Ų99118.3 Ų118.369%0.69272%0.723SS**  trans-15055.2167.452.10000109.4S308S308-S310 PolarHBondContact O-N 3.18Å; S308-S310 PolarHBondContact O-OG 3.17Å
311Q31.7Very low48.5Very low172 Ų172120.8 Ų120.880%0.80474%0.74SS**  trans-112.783.1149.7-78.7-169.9-11.300107.2
312L37.7Very low46.7Very low168 Ų168130.5 Ų130.588%0.8876%0.763SS**  trans-93.989.8147.5-83.8164.5000105.9C314L312-C314 VanDerWaalsContact C-N 3.29Å; L312-C314 PolarHBondContact O-N 3.02Å
313D34.9Very low45.3Very low131 Ų131129.4 Ų129.470%0.70177%0.768SS**  trans-53.595.1157.4-91-34.6000108.7
314C35.5Very low43.7Very low119 Ų119132.3 Ų132.380%0.80479%0.788SS**  trans-93.284.1154.6-76.50000107.5L312L312-C314 VanDerWaalsContact C-N 3.29Å; L312-C314 PolarHBondContact O-N 3.02Å
315R41.4Very low42.4Very low218 Ų218133.8 Ų133.882%0.82379%0.791SS**  trans-64.3141.1161.2-79.8-175.3177.1-164.7-0.6109.1S317R315-S317 PolarHBondContact O-N 3.11Å
316P40.7Very low41.4Very low122 Ų122136.2 Ų136.279%0.79280%0.799SS**  trans-73.9120.7171.730.4-29.5000108.7S318P316-S318 PolarHBondContact O-N 2.85Å; P316-S318 VanDerWaalsContact O-N 3.17Å
317S48.9Very low40.8Very low116 Ų116138.5 Ų138.581%0.81181%0.806SS**  trans-76.298.8162.8175.70000107.9R315 A319R315-S317 PolarHBondContact O-N 3.11Å; S317-A319 PolarHBondContact O-N 3.49Å
318S43.3Very low40.9Very low106 Ų106139.5 Ų139.574%0.74181%0.806SS**  trans-69114.2153.952.80000108.9P316P316-S318 PolarHBondContact O-N 2.85Å; P316-S318 VanDerWaalsContact O-N 3.17Å
319A49.2Very low40.8Very low93 Ų93142.4 Ų142.477%0.76981%0.814SS**  trans-117.690.315700000108.4S317S317-A319 PolarHBondContact O-N 3.49Å
320T46.3Very low41.8Very low126 Ų126143 Ų14377%0.77381%0.807SS**  trans-72.9133.6155.9-44.60000106.9
321T51.8Low42.5Very low115 Ų115146.7 Ų146.771%0.70682%0.816SS**  164.5119.9124.1-60.80000111.2
322K48.2Very low43.4Very low274 Ų274144.4 Ų144.4100%1.19182%0.817SS**  trans78.40160.4-75.7174.5-177-174.80119.5

Retrieved 322 of 322 residues in 78.1 ms (Link to these results)

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