A0A077ZDM1_TRITR Loading...

Ras specific guanine nucleotide releasing factor

AlphaFold DB , UniProt , Accession A0A077ZDM1, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 609 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
1M44Very low49.9Very low209 Ų209113.4 Ų113.4100%1.0353%0.534SS*.  01340-71.5-175.116400108D3M1-D3 PolarHBondContact O-N 3.43Å
2A45.1Very low49.5Very low59 Ų59121.1 Ų121.149%0.48856%0.564SS.*EExtended strand (participates in β ladder)trans-74.3123.8176.400000108.7R31 L32A2-R31 WeakPolarHBondContact CA-O 3.34Å; A2-L32 HydrophobicContact CB-CD1 4.28Å
3D48.8Very low49.1Very low82 Ų82117.9 Ų117.944%0.43956%0.564SS.*EExtended strand (participates in β ladder)trans-94.7104.6174.2-163-6.4000106.8M1 R5 R31M1-D3 PolarHBondContact O-N 3.43Å; D3-R5 IonicContact OD1-CZ 3.89Å; D3-R5 IonicContact OD1-NE 3.91Å; D3-R5 PolarHBondContact OD1-NE 3.43Å; D3-R5 VanDerWaalsContact OD1-NE 3.17Å; D3-R5 IonicContact OD1-NH2 3.17Å; D3-R5 IonicContact OD2-CZ 2.8Å; D3-R5 IonicContact OD2-NE 4Å; D3-R5 PolarHBondContact OD2-NE 3.12Å; D3-R5 IonicContact OD2-NH2 3.28Å; D3-R5 PolarHBondContact OD2-NH2 3.37Å; D3-R31 PolarHBondContact N-O 3.29Å; D3-R31 VanDerWaalsContact N-O 3.17Å
4D47.8Very low48.3Very low74 Ų74118.9 Ų118.940%0.39658%0.584SS.*EExtended strand (participates in β ladder)trans-100.499-176.3-102.22.6000108.7K28 T30D4-K28 VanDerWaalsContact OD2-CE 3.23Å; D4-K28 WeakPolarHBondContact OD2-CE 3.23Å; D4-K28 IonicContact OD2-NZ 3.46Å; D4-K28 PolarHBondContact OD2-NZ 3.48Å; D4-T30 WeakPolarHBondContact OD1-CB 3.44Å; D4-T30 WeakPolarHBondContact OD1-CG2 3.42Å; D4-T30 PolarHBondContact OD1-OG1 2.83Å
5R50.7Low47.8Very low135 Ų135116.7 Ų116.751%0.50960%0.604SS.*EExtended strand (participates in β ladder)trans-118.4144.6177.1-65.6-170-148.1-174.78.3112.2D3 Y7 K29D3-R5 IonicContact OD1-CZ 3.89Å; D3-R5 IonicContact OD1-NE 3.91Å; D3-R5 PolarHBondContact OD1-NE 3.43Å; D3-R5 VanDerWaalsContact OD1-NE 3.17Å; D3-R5 IonicContact OD1-NH2 3.17Å; D3-R5 IonicContact OD2-CZ 2.8Å; D3-R5 IonicContact OD2-NE 4Å; D3-R5 PolarHBondContact OD2-NE 3.12Å; D3-R5 IonicContact OD2-NH2 3.28Å; D3-R5 PolarHBondContact OD2-NH2 3.37Å; R5-Y7 HydrophobicContact CB-CE1 4.26Å; R5-Y7 HydrophobicContact CB-CE2 3.67Å; R5-Y7 WeakPolarHBondContact CB-OH 3.42Å; R5-Y7 WeakPolarHBondContact O-CD2 3.15Å; R5-Y7 VanDerWaalsContact O-CE2 3.3Å; R5-Y7 WeakPolarHBondContact O-CE2 3.05Å; R5-K29 PolarHBondContact O-N 2.7Å
6W50.8Low47.2Very low146 Ų146122.3 Ų122.355%0.55362%0.615SS**EExtended strand (participates in β ladder)trans-96.6137.5176.1-64.288.7000109.7V26 K28 L42W6-V26 HydrophobicContact CE3-CG1 3.72Å; W6-V26 HydrophobicContact CZ3-CG1 4.1Å; W6-K28 HydrophobicContact CD2-CB 4.21Å; W6-K28 HydrophobicContact CD2-CD 4.48Å; W6-K28 HydrophobicContact CD2-CG 4.11Å; W6-K28 HydrophobicContact CE3-CB 3.82Å; W6-K28 HydrophobicContact CE3-CG 4.24Å; W6-K28 HydrophobicContact CH2-CB 4.14Å; W6-K28 HydrophobicContact CH2-CD 3.96Å; W6-K28 HydrophobicContact CH2-CG 4.34Å; W6-K28 HydrophobicContact CZ2-CB 4.48Å; W6-K28 HydrophobicContact CZ2-CD 3.68Å; W6-K28 HydrophobicContact CZ2-CG 4.2Å; W6-K28 HydrophobicContact CZ3-CB 3.8Å; W6-K28 HydrophobicContact CZ3-CD 4.47Å; W6-K28 HydrophobicContact CZ3-CG 4.36Å; W6-L42 HydrophobicContact CH2-CD1 3.66Å; W6-L42 HydrophobicContact CZ3-CD1 3.5Å; W6-L42 VanDerWaalsContact CZ3-CD1 3.5Å
7Y54.4Low46.5Very low109 Ų109121.5 Ų121.543%0.42762%0.624SS.*EExtended strand (participates in β ladder)trans-134.9138.1179.1-51.2-88.9000110.3R5 V27 K29R5-Y7 HydrophobicContact CB-CE1 4.26Å; R5-Y7 HydrophobicContact CB-CE2 3.67Å; R5-Y7 WeakPolarHBondContact CB-OH 3.42Å; R5-Y7 WeakPolarHBondContact O-CD2 3.15Å; R5-Y7 VanDerWaalsContact O-CE2 3.3Å; R5-Y7 WeakPolarHBondContact O-CE2 3.05Å; Y7-V27 PolarHBondContact N-O 2.59Å; Y7-V27 PolarHBondContact O-N 2.94Å; Y7-K29 HydrophobicContact CD2-CB 4.48Å; Y7-K29 HydrophobicContact CE2-CB 4.19Å
8L47.7Very low45.9Very low93 Ų93126.4 Ų126.449%0.48764%0.64SS.*EExtended strand (participates in β ladder)trans-89.9119.3171.2-168.578.7000109L10 V26 V47L8-L10 HydrophobicContact CD2-CD2 4.05Å; L8-V26 HydrophobicContact CD1-CG2 3.7Å; L8-V47 HydrophobicContact CD1-CG2 4.4Å; L8-V47 HydrophobicContact CD2-CG2 3.89Å
9R54.4Low45.5Very low166 Ų166125.1 Ų125.163%0.62665%0.651SS**EExtended strand (participates in β ladder)trans-99.9113.8174.1-165.8-179.1-137.4171.51.1108.9G24 T25 V27R9-G24 CarbonylContact O-C 3.46Å; R9-G24 WeakPolarHBondContact O-CA 3.43Å; R9-T25 PolarHBondContact N-O 3.03Å; R9-T25 PolarHBondContact O-N 3.11Å; R9-V27 HydrophobicContact CB-CG2 4.2Å
10L52.2Low45.2Very low103 Ų103121.6 Ų121.654%0.53965%0.647SS.*EExtended strand (participates in β ladder)trans-79.9125175.2-62.9174.5000109.5L8 K12 V47L8-L10 HydrophobicContact CD2-CD2 4.05Å; L10-K12 PolarHBondContact O-N 3.25Å; L10-V47 HydrophobicContact CD2-CG2 4.21Å
11N53Low44.8Very low71 Ų71121.3 Ų121.338%0.3865%0.645SS.*  trans-84108.9176.8-64.2-42.5000108.6S13 C23 T25N11-S13 PolarHBondContact O-N 3.32Å; N11-C23 PolarHBondContact N-O 2.77Å; N11-T25 PolarHBondContact ND2-OG1 2.75Å
12K45.9Very low44.7Very low206 Ų206113.8 Ų113.890%0.89662%0.616SS**  trans-75.9104.1171-76-172.5176.7-1760108.8L10L10-K12 PolarHBondContact O-N 3.25Å
13S43.3Very low44.7Very low80 Ų80113.1 Ų113.156%0.55961%0.607SS**  trans-75.5125.4166.8-51.70000109.1N11 G15N11-S13 PolarHBondContact O-N 3.32Å; S13-G15 PolarHBondContact O-N 3.42Å
14P38.4Very low44.7Very low131 Ų131109.2 Ų109.285%0.85159%0.586SS**THydrogen-bonded Turntrans-61.3133.5173.9-15.628.1000110.1
15G41.2Very low44.6Very low86 Ų86106.5 Ų106.589%0.88757%0.573SS**THydrogen-bonded Turntrans88.36.9165.700000117.8S13S13-G15 PolarHBondContact O-N 3.42Å
16R37Very low44.6Very low207 Ų207101.8 Ų101.878%0.78156%0.559SS**  trans-94.6115.3168.6-71.5-167.1179.4-169.3-0.7110.7
17S36.8Very low44.7Very low109 Ų10995.8 Ų95.876%0.76254%0.538SS*.  trans-52.3146.4164.351.50000110.6A19S17-A19 PolarHBondContact O-N 3.22Å
18F35.8Very low44.7Very low209 Ų20992.7 Ų92.792%0.91753%0.527SS*.THydrogen-bonded Turntrans-65.321.8-158.7-104.5-95000118
19A37.9Very low45.2Very low102 Ų10292.1 Ų92.184%0.84352%0.52SS*.THydrogen-bonded Turntrans-110.4-3.4-166.600000116.8S17S17-A19 PolarHBondContact O-N 3.22Å
20G39.1Very low45.3Very low55 Ų5585.3 Ų85.357%0.56750%0.497SS*.SBendtrans-137.3121.3-175.300000113.7
21L36.3Very low45.7Very low115 Ų11585.7 Ų85.760%0.60249%0.492SS*.  trans32.6103.8156.7-76.1141.7000116.5Y48L21-Y48 HydrophobicContact CD2-CD1 3.98Å; L21-Y48 HydrophobicContact CD2-CE1 3.78Å
22A43.3Very low45.5Very low52 Ų5286.2 Ų86.243%0.4349%0.494SS..EExtended strand (participates in β ladder)trans-80.6125167.700000110.1V47A22-V47 PolarHBondContact O-N 2.82Å; A22-V47 VanDerWaalsContact O-N 3.13Å
23C44Very low46.5Very low44 Ų4482.8 Ų82.830%0.29749%0.485SS..EExtended strand (participates in β ladder)trans-85.1117.3170.5-1500000108.7N11N11-C23 PolarHBondContact N-O 2.77Å
24G48.4Very low47.5Very low0 Ų081.4 Ų81.40%048%0.484CS..EExtended strand (participates in β ladder)trans-98155.9174.700000111.1R9 Q44 V45R9-G24 CarbonylContact O-C 3.46Å; R9-G24 WeakPolarHBondContact O-CA 3.43Å; G24-Q44 WeakPolarHBondContact O-CA 3.24Å; G24-V45 PolarHBondContact N-O 3.14Å; G24-V45 PolarHBondContact O-N 2.86Å
25T47.2Very low48.4Very low18 Ų1883 Ų8311%0.1148%0.478CS..EExtended strand (participates in β ladder)trans-122.2124.8167.6-48.50000108.4R9 N11 T41 L42R9-T25 PolarHBondContact N-O 3.03Å; R9-T25 PolarHBondContact O-N 3.11Å; N11-T25 PolarHBondContact ND2-OG1 2.75Å; T25-T41 HydrophobicContact CG2-CG2 3.69Å; T25-L42 WeakPolarHBondContact CG2-O 3.5Å
26V48.9Very low49Very low36 Ų3684.4 Ų84.422%0.21846%0.459CS..EExtended strand (participates in β ladder)trans-79.1124.9175.61780000108.4W6 L8 L42 V45W6-V26 HydrophobicContact CE3-CG1 3.72Å; W6-V26 HydrophobicContact CZ3-CG1 4.1Å; L8-V26 HydrophobicContact CD1-CG2 3.7Å; V26-L42 PolarHBondContact O-N 3.27Å; V26-V45 HydrophobicContact CG2-CG2 3.85Å
27V53.3Low50.3Low19 Ų1979.8 Ų79.812%0.11545%0.449CS..EExtended strand (participates in β ladder)trans-121.1126.1-179.6-167.90000109.1Y7 R9 K29 T41Y7-V27 PolarHBondContact N-O 2.59Å; Y7-V27 PolarHBondContact O-N 2.94Å; R9-V27 HydrophobicContact CB-CG2 4.2Å; V27-K29 HydrophobicContact CG1-CG 4.31Å; V27-T41 HydrophobicContact CG2-CG2 3.88Å
28K54.6Low51Low44 Ų4475.7 Ų75.719%0.19142%0.424CS..EExtended strand (participates in β ladder)trans-92.7125.9166.7-166.8-176.3-179.9-173.80108.4D4 W6 G39 Y40D4-K28 VanDerWaalsContact OD2-CE 3.23Å; D4-K28 WeakPolarHBondContact OD2-CE 3.23Å; D4-K28 IonicContact OD2-NZ 3.46Å; D4-K28 PolarHBondContact OD2-NZ 3.48Å; W6-K28 HydrophobicContact CD2-CB 4.21Å; W6-K28 HydrophobicContact CD2-CD 4.48Å; W6-K28 HydrophobicContact CD2-CG 4.11Å; W6-K28 HydrophobicContact CE3-CB 3.82Å; W6-K28 HydrophobicContact CE3-CG 4.24Å; W6-K28 HydrophobicContact CH2-CB 4.14Å; W6-K28 HydrophobicContact CH2-CD 3.96Å; W6-K28 HydrophobicContact CH2-CG 4.34Å; W6-K28 HydrophobicContact CZ2-CB 4.48Å; W6-K28 HydrophobicContact CZ2-CD 3.68Å; W6-K28 HydrophobicContact CZ2-CG 4.2Å; W6-K28 HydrophobicContact CZ3-CB 3.8Å; W6-K28 HydrophobicContact CZ3-CD 4.47Å; W6-K28 HydrophobicContact CZ3-CG 4.36Å; K28-G39 CarbonylContact O-C 3.56Å; K28-G39 WeakPolarHBondContact O-CA 3.4Å; K28-Y40 PolarHBondContact N-O 3.42Å; K28-Y40 VanDerWaalsContact N-O 3.14Å; K28-Y40 PolarHBondContact O-N 3Å
29K59.2Low51.6Low81 Ų8167.4 Ų67.435%0.35240%0.398SS..EExtended strand (participates in β ladder)trans-113.5126.6171.2-68.8-172.5177.5178.50109R5 Y7 V27 F36R5-K29 PolarHBondContact O-N 2.7Å; Y7-K29 HydrophobicContact CD2-CB 4.48Å; Y7-K29 HydrophobicContact CE2-CB 4.19Å; V27-K29 HydrophobicContact CG1-CG 4.31Å; K29-F36 HydrophobicContact CB-CD2 4.26Å; K29-F36 HydrophobicContact CB-CE2 3.9Å; K29-F36 HydrophobicContact CD-CD2 4.44Å; K29-F36 HydrophobicContact CD-CE2 4.13Å; K29-F36 HydrophobicContact CG-CD2 4.45Å; K29-F36 HydrophobicContact CG-CE2 3.82Å
30T55.5Low51.8Low23 Ų2370.2 Ų70.214%0.14139%0.388CS..EExtended strand (participates in β ladder)trans-101.3124.4174.4-63.10000108.8D4 I37 G38D4-T30 WeakPolarHBondContact OD1-CB 3.44Å; D4-T30 WeakPolarHBondContact OD1-CG2 3.42Å; D4-T30 PolarHBondContact OD1-OG1 2.83Å; T30-I37 HydrophobicContact CG2-CD1 3.84Å; T30-I37 HydrophobicContact CG2-CG1 3.99Å; T30-I37 WeakPolarHBondContact O-CG1 3.43Å; T30-I37 PolarHBondContact O-N 2.82Å; T30-G38 PolarHBondContact N-O 2.94Å
31R60.4Low51.9Low112 Ų11272.7 Ų72.742%0.42339%0.392SS..EExtended strand (participates in β ladder)trans-115.4135.1174.1-70.1-176.3177.7-1177.4109.8A2 D3 G34 K35A2-R31 WeakPolarHBondContact CA-O 3.34Å; D3-R31 PolarHBondContact N-O 3.29Å; D3-R31 VanDerWaalsContact N-O 3.17Å; R31-G34 PolarHBondContact NH1-O 3.15Å; R31-K35 CarbonylContact C-O 3.49Å; R31-K35 VanDerWaalsContact CA-O 3.25Å; R31-K35 WeakPolarHBondContact CA-O 3.36Å
32L49.9Very low52.4Low82 Ų8271.6 Ų71.643%0.42939%0.386SS..EExtended strand (participates in β ladder)trans-115.2121.8170.9-168.973.3000108.4A2 G34 K35 I37A2-L32 HydrophobicContact CB-CD1 4.28Å; L32-G34 VanDerWaalsContact C-N 3.25Å; L32-G34 PolarHBondContact O-N 3.27Å; L32-K35 PolarHBondContact N-O 2.99Å; L32-K35 PolarHBondContact O-N 3.45Å; L32-I37 HydrophobicContact CB-CD1 3.8Å; L32-I37 HydrophobicContact CB-CG1 4.25Å; L32-I37 HydrophobicContact CB-CG2 4.12Å
33N66.4Low52.4Low133 Ų13375.9 Ų75.971%0.71140%0.395SS*.THydrogen-bonded Turntrans49.844.8-178.6-60.1-14.3000112.9K35N33-K35 PolarHBondContact O-N 2.99Å; N33-K35 VanDerWaalsContact O-N 3.16Å
34G64.4Low52.3Low52 Ų5280.6 Ų80.654%0.53641%0.413SS..THydrogen-bonded Turntrans79.6-18.1-179.900000115.5R31 L32R31-G34 PolarHBondContact NH1-O 3.15Å; L32-G34 VanDerWaalsContact C-N 3.25Å; L32-G34 PolarHBondContact O-N 3.27Å
35K57.1Low52Low165 Ų16583.7 Ų83.772%0.71743%0.432SS*.EExtended strand (participates in β ladder)trans-87.6137.3178-71.1-174.6177.5-179.80111.6R31 L32 N33 I37R31-K35 CarbonylContact C-O 3.49Å; R31-K35 VanDerWaalsContact CA-O 3.25Å; R31-K35 WeakPolarHBondContact CA-O 3.36Å; L32-K35 PolarHBondContact N-O 2.99Å; L32-K35 PolarHBondContact O-N 3.45Å; N33-K35 PolarHBondContact O-N 2.99Å; N33-K35 VanDerWaalsContact O-N 3.16Å; K35-I37 PolarHBondContact O-N 3.34Å
36F53.5Low51.6Low115 Ų11587.9 Ų87.950%0.50445%0.45SS..EExtended strand (participates in β ladder)trans-72.3123.8174.9178.4-106.3000109.6K29 G38K29-F36 HydrophobicContact CB-CD2 4.26Å; K29-F36 HydrophobicContact CB-CE2 3.9Å; K29-F36 HydrophobicContact CD-CD2 4.44Å; K29-F36 HydrophobicContact CD-CE2 4.13Å; K29-F36 HydrophobicContact CG-CD2 4.45Å; K29-F36 HydrophobicContact CG-CE2 3.82Å; F36-G38 VanDerWaalsContact CE2-C 3.41Å; F36-G38 WeakPolarHBondContact CE2-O 3.46Å
37I65.3Low51.1Low109 Ų10988.3 Ų88.356%0.55945%0.453SS*.EExtended strand (participates in β ladder)trans-112.7-14-18053161.8000113T30 L32 K35T30-I37 HydrophobicContact CG2-CD1 3.84Å; T30-I37 HydrophobicContact CG2-CG1 3.99Å; T30-I37 WeakPolarHBondContact O-CG1 3.43Å; T30-I37 PolarHBondContact O-N 2.82Å; L32-I37 HydrophobicContact CB-CD1 3.8Å; L32-I37 HydrophobicContact CB-CG1 4.25Å; L32-I37 HydrophobicContact CB-CG2 4.12Å; K35-I37 PolarHBondContact O-N 3.34Å
38G49.6Very low50.3Low24 Ų2493.6 Ų93.625%0.24747%0.471CS..EExtended strand (participates in β ladder)trans164.3163.6178.100000112.5T30 F36T30-G38 PolarHBondContact N-O 2.94Å; F36-G38 VanDerWaalsContact CE2-C 3.41Å; F36-G38 WeakPolarHBondContact CE2-O 3.46Å
39G48.9Very low49.3Very low35 Ų35102 Ų10236%0.36150%0.502SS..EExtended strand (participates in β ladder)trans-164.1153.3175.500000110.7K28K28-G39 CarbonylContact O-C 3.56Å; K28-G39 WeakPolarHBondContact O-CA 3.4Å
40Y42.2Very low48.2Very low161 Ų161105.1 Ų105.163%0.63152%0.522SS*.EExtended strand (participates in β ladder)trans-122.4137.6179.2-27.2-82.8000108.6K28K28-Y40 PolarHBondContact N-O 3.42Å; K28-Y40 VanDerWaalsContact N-O 3.14Å; K28-Y40 PolarHBondContact O-N 3Å
41T42.1Very low47.1Very low106 Ų106110.5 Ų110.565%0.6555%0.549SS*.EExtended strand (participates in β ladder)trans-82.1121.5167.320.60000108.8T25 V27T25-T41 HydrophobicContact CG2-CG2 3.69Å; V27-T41 HydrophobicContact CG2-CG2 3.88Å
42L46.4Very low45.7Very low93 Ų93111.3 Ų111.349%0.48757%0.566SS.*EExtended strand (participates in β ladder)trans-91.5164.1166.7-92.7153.7000109.9W6 T25 V26W6-L42 HydrophobicContact CH2-CD1 3.66Å; W6-L42 HydrophobicContact CZ3-CD1 3.5Å; W6-L42 VanDerWaalsContact CZ3-CD1 3.5Å; T25-L42 WeakPolarHBondContact CG2-O 3.5Å; V26-L42 PolarHBondContact O-N 3.27Å
43K42.4Very low44.7Very low142 Ų142112.9 Ų112.962%0.61757%0.574SS**EExtended strand (participates in β ladder)trans-29.3141.2-175.7-82.3-178171179.80113.5V45 E123K43-V45 WeakPolarHBondContact O-CG2 3.34Å; K43-V45 PolarHBondContact O-N 3.35Å; K43-E123 IonicContact NZ-OE1 3.07Å; K43-E123 PolarHBondContact NZ-OE1 3.41Å
44Q42.7Very low43.1Very low143 Ų143109.7 Ų109.767%0.66856%0.562SS**EExtended strand (participates in β ladder)trans-56.1128.2163.7-82.9176.7-37.900108.7G24G24-Q44 WeakPolarHBondContact O-CA 3.24Å
45V41Very low41.9Very low65 Ų65111.9 Ų111.939%0.39457%0.569SS.*EExtended strand (participates in β ladder)trans-114.8125.1178.2-172.50000107G24 V26 K43 V47G24-V45 PolarHBondContact N-O 3.14Å; G24-V45 PolarHBondContact O-N 2.86Å; V26-V45 HydrophobicContact CG2-CG2 3.85Å; K43-V45 WeakPolarHBondContact O-CG2 3.34Å; K43-V45 PolarHBondContact O-N 3.35Å; V45-V47 PolarHBondContact O-N 3.11Å
46E40.1Very low40.9Very low106 Ų106111.3 Ų111.350%0.49557%0.569SS.*EExtended strand (participates in β ladder)trans-69.8117.1168.2-72.2177.9152.700108.7Y48E46-Y48 HydrophobicContact CB-CD2 4.19Å; E46-Y48 HydrophobicContact CB-CE2 3.56Å; E46-Y48 WeakPolarHBondContact O-CD2 3.49Å; E46-Y48 PolarHBondContact O-N 3.22Å; E46-Y48 PolarHBondContact OE2-OH 3.06Å
47V37.6Very low40Very low45 Ų45108.6 Ų108.627%0.27356%0.562SS.*EExtended strand (participates in β ladder)trans-89.793.7177.4-175.20000106.7L8 L10 A22 V45 R49L8-V47 HydrophobicContact CD1-CG2 4.4Å; L8-V47 HydrophobicContact CD2-CG2 3.89Å; L10-V47 HydrophobicContact CD2-CG2 4.21Å; A22-V47 PolarHBondContact O-N 2.82Å; A22-V47 VanDerWaalsContact O-N 3.13Å; V45-V47 PolarHBondContact O-N 3.11Å; V47-R49 PolarHBondContact O-N 3.3Å
48Y36Very low38.4Very low130 Ų130109.4 Ų109.451%0.5157%0.567SS.*  trans-68.6124.8170.6-63.8-89.7000108.1L21 E46 N50 I51L21-Y48 HydrophobicContact CD2-CD1 3.98Å; L21-Y48 HydrophobicContact CD2-CE1 3.78Å; E46-Y48 HydrophobicContact CB-CD2 4.19Å; E46-Y48 HydrophobicContact CB-CE2 3.56Å; E46-Y48 WeakPolarHBondContact O-CD2 3.49Å; E46-Y48 PolarHBondContact O-N 3.22Å; E46-Y48 PolarHBondContact OE2-OH 3.06Å; Y48-N50 PolarHBondContact O-N 3.18Å; Y48-I51 PolarHBondContact O-N 2.69Å
49R35.2Very low37.8Very low221 Ų221115.5 Ų115.583%0.83459%0.589SS**THydrogen-bonded Turntrans-58.9-10.9177.2-158.6176.9-176.2161.2-1112.9V47V47-R49 PolarHBondContact O-N 3.3Å
50N35.1Very low37.1Very low145 Ų145121.4 Ų121.478%0.77561%0.605SS**THydrogen-bonded Turntrans-102.430.5-172.8-60.6-12.4000113.5Y48 V52Y48-N50 PolarHBondContact O-N 3.18Å; N50-V52 VanDerWaalsContact C-N 3.26Å; N50-V52 PolarHBondContact O-N 3.17Å
51I31.9Very low36.5Very low136 Ų136117.5 Ų117.570%0.69760%0.6SS**SBendtrans-70.295156.6-66.4177.6000106.9Y48Y48-I51 PolarHBondContact O-N 2.69Å
52V32.1Very low36.2Very low129 Ų129116.6 Ų116.678%0.78260%0.598SS**  trans46.472152.4-162.30000114.5N50N50-V52 VanDerWaalsContact C-N 3.26Å; N50-V52 PolarHBondContact O-N 3.17Å
53L29.5Very low35.7Very low115 Ų115116.2 Ų116.260%0.60260%0.603SS**  trans-77.4123.3155.7-69.1172.1000107.2V57L53-V57 HydrophobicContact CB-CB 4.36Å; L53-V57 HydrophobicContact CD1-CG1 4.26Å
54S32.8Very low35.3Very low66 Ų66117 Ų11746%0.46261%0.607SS.*  trans-54.2151173.2610000110.1E56 V57S54-E56 PolarHBondContact O-N 3.17Å; S54-V57 PolarHBondContact O-N 2.96Å
55S38.9Very low34.7Very low98 Ų98118.5 Ų118.569%0.68561%0.614SS**Hα-helixtrans-50.1-23.2-175.6-53.70000114.4V57 L58S55-V57 VanDerWaalsContact C-N 3.26Å; S55-V57 PolarHBondContact O-N 3Å; S55-L58 PolarHBondContact O-N 3.15Å
56E35.3Very low34.2Very low153 Ų153123.3 Ų123.372%0.71563%0.634SS**Hα-helixtrans-63.1-22.9177.1-76.6163.314000114.7S54S54-E56 PolarHBondContact O-N 3.17Å
57V34.7Very low33.9Very low59 Ų59123.3 Ų123.336%0.35864%0.641SS.*Hα-helixtrans-91.2-27.1177.1-175.10000111.9L53 S54 S55 E59 K60 C61L53-V57 HydrophobicContact CB-CB 4.36Å; L53-V57 HydrophobicContact CD1-CG1 4.26Å; S54-V57 PolarHBondContact O-N 2.96Å; S55-V57 VanDerWaalsContact C-N 3.26Å; S55-V57 PolarHBondContact O-N 3Å; V57-E59 VanDerWaalsContact C-N 3.3Å; V57-E59 PolarHBondContact O-N 3.19Å; V57-K60 PolarHBondContact O-N 3.06Å; V57-K60 VanDerWaalsContact O-N 3.09Å; V57-C61 PolarHBondContact O-N 2.7Å
58L32.4Very low33.5Very low125 Ų125129 Ų12965%0.65467%0.669SS**Hα-helixtrans-63.5-36.7175.2-92.8155000111.8S55 K60 C61 S62S55-L58 PolarHBondContact O-N 3.15Å; L58-K60 VanDerWaalsContact C-N 3.31Å; L58-K60 PolarHBondContact O-N 3.14Å; L58-C61 PolarHBondContact O-N 3.33Å; L58-S62 PolarHBondContact O-N 3Å
59E37.2Very low33.4Very low153 Ų153131.8 Ų131.872%0.71569%0.687SS**Hα-helixtrans-66.4-30.6172.8-89-172.5155.200113.2V57 S62V57-E59 VanDerWaalsContact C-N 3.3Å; V57-E59 PolarHBondContact O-N 3.19Å; E59-S62 PolarHBondContact O-OG 3.25Å
60K34.5Very low33.6Very low159 Ų159129.8 Ų129.869%0.69169%0.687SS**Hα-helixtrans-77.7-22.1174.8-79-173.2176.51790113.5V57 L58 S63V57-K60 PolarHBondContact O-N 3.06Å; V57-K60 VanDerWaalsContact O-N 3.09Å; L58-K60 VanDerWaalsContact C-N 3.31Å; L58-K60 PolarHBondContact O-N 3.14Å; K60-S63 PolarHBondContact O-OG 2.85Å; K60-S63 VanDerWaalsContact O-OG 3.13Å
61C28.9Very low33.7Very low78 Ų78129.3 Ų129.353%0.52768%0.684SS.*Hα-helixtrans-78.9-31174.1-71.60000112.2V57 L58 S63 F64V57-C61 PolarHBondContact O-N 2.7Å; L58-C61 PolarHBondContact O-N 3.33Å; C61-S63 PolarHBondContact O-N 3.06Å; C61-F64 PolarHBondContact O-N 2.97Å; C61-F64 VanDerWaalsContact O-N 3.09Å
62S34.8Very low33.8Very low88 Ų88130.8 Ų130.862%0.61569%0.686SS**Hα-helixtrans-67.3-23.9174.886.50000112.7L58 E59 F64L58-S62 PolarHBondContact O-N 3Å; E59-S62 PolarHBondContact O-OG 3.25Å; S62-F64 VanDerWaalsContact C-N 3.31Å
63S37.3Very low34Very low84 Ų84130 Ų13059%0.58768%0.683SS**THydrogen-bonded Turntrans-79.8-10.7173.177.90000114.2K60 C61K60-S63 PolarHBondContact O-OG 2.85Å; K60-S63 VanDerWaalsContact O-OG 3.13Å; C61-S63 PolarHBondContact O-N 3.06Å
64F32.9Very low34.6Very low159 Ų159132.5 Ų132.570%0.69769%0.692SS**THydrogen-bonded Turntrans-89.7-15.6-176.8-158.5-101.2000113.7C61 S62 M66C61-F64 PolarHBondContact O-N 2.97Å; C61-F64 VanDerWaalsContact O-N 3.09Å; S62-F64 VanDerWaalsContact C-N 3.31Å; F64-M66 VanDerWaalsContact C-N 3.28Å; F64-M66 PolarHBondContact O-N 3.17Å
65E29.6Very low34.6Very low175 Ų175136 Ų13682%0.81870%0.703SS**G310 helixtrans-76.9-6.5178.6-84.6-175.1157.800114.6T67E65-T67 PolarHBondContact O-N 3.05Å
66M30.9Very low34.3Very low166 Ų166137.4 Ų137.482%0.81870%0.702SS**G310 helixtrans-90.711.9-176.3-84.6-172.165.400116.6F64F64-M66 VanDerWaalsContact C-N 3.28Å; F64-M66 PolarHBondContact O-N 3.17Å
67T34.7Very low34.5Very low105 Ų105137.5 Ų137.564%0.64470%0.702SS**G310 helixtrans-122.512-17543.50000116.7E65E65-T67 PolarHBondContact O-N 3.05Å
68L28.4Very low34.4Very low166 Ų166140.9 Ų140.987%0.86972%0.718SS**SBendtrans-108.77.9176.5-77.6170.8000115.1
69E33.4Very low34.5Very low188 Ų188141.6 Ų141.688%0.87972%0.722SS**SBendtrans-85.9-9.9179.2-76.5-171.1154.300115.2
70E41.5Very low34.6Very low178 Ų178138.3 Ų138.383%0.83272%0.715SS**SBendtrans-101.1-3.6-167.6-77.2-165.2156.500118.1
71N35.4Very low34.5Very low135 Ų135134.3 Ų134.372%0.72271%0.708SS**SBendtrans-121.6-0.7-166.7-80.8-45.9000120.6
72F35.8Very low34.7Very low167 Ų167138.8 Ų138.873%0.73272%0.72SS**  trans-150.779.5174.3-82-82.8000114.7
73P35.4Very low34.5Very low112 Ų112139.9 Ų139.973%0.72773%0.727SS**SBendtrans-73.6-27.5176.8-1429.3000114.1M75P73-M75 PolarHBondContact O-N 3.37Å
74E41.2Very low34.3Very low169 Ų169146.8 Ų146.879%0.7974%0.74SS**Hα-helixtrans-81-13.8-168.9-73.9-175.3164.700115.3
75M32.7Very low34.4Very low139 Ų139143.2 Ų143.269%0.68574%0.74SS**Hα-helixtrans-84.5-19.8179.4-162.1174.9-72.900113P73P73-M75 PolarHBondContact O-N 3.37Å
76I34.2Very low34.8Very low128 Ų128143 Ų14366%0.65674%0.739SS**Hα-helixtrans-82.1-33.6-177-64179.2000111.6N78 L79 S80I76-N78 PolarHBondContact O-N 2.86Å; I76-L79 PolarHBondContact O-N 3.18Å; I76-S80 PolarHBondContact O-N 3Å
77E39.8Very low35.4Very low154 Ų154143.5 Ų143.572%0.7274%0.739SS**Hα-helixtrans-69-36.8-175.2-155.5172.4-167.500112.2L79 S80E77-L79 PolarHBondContact O-N 3.45Å; E77-S80 PolarHBondContact O-N 3.09Å; E77-S80 PolarHBondContact O-OG 2.76Å; E77-S80 VanDerWaalsContact O-OG 3.12Å
78N31.9Very low35.8Very low131 Ų131144.9 Ų144.970%0.70174%0.736SS**Hα-helixtrans-76.1-18.9177.8-85.6-36.7000114.7I76I76-N78 PolarHBondContact O-N 2.86Å
79L33.4Very low36.5Very low139 Ų139146 Ų14673%0.72874%0.737SS**Hα-helixtrans-84.3-24.3171.8-115.679000112.6I76 E77 S81I76-L79 PolarHBondContact O-N 3.18Å; E77-L79 PolarHBondContact O-N 3.45Å; L79-S81 VanDerWaalsContact C-N 3.31Å; L79-S81 PolarHBondContact O-N 3.41Å
80S39.3Very low37.3Very low84 Ų84140.6 Ų140.659%0.58771%0.711SS**Hα-helixtrans-73-22.1-178.884.70000113.7I76 E77I76-S80 PolarHBondContact O-N 3Å; E77-S80 PolarHBondContact O-N 3.09Å; E77-S80 PolarHBondContact O-OG 2.76Å; E77-S80 VanDerWaalsContact O-OG 3.12Å
81S33.3Very low37.6Very low76 Ų76136 Ų13653%0.53169%0.692SS.*THydrogen-bonded Turntrans-91.7-5.3-168.863.30000115.6L79L79-S81 VanDerWaalsContact C-N 3.31Å; L79-S81 PolarHBondContact O-N 3.41Å
82H32.9Very low38.3Very low171 Ų171133 Ų13379%0.79268%0.68SS**SBendtrans-123.26-176.7-9671.7000117.4
83C30.9Very low39.2Very low111 Ų111131.2 Ų131.275%0.7568%0.682SS**  trans-124.438.5178.2-63.60000113.2A85C83-A85 PolarHBondContact O-N 3.22Å; C83-A85 VanDerWaalsContact O-N 3.11Å
84R32Very low40.3Very low230 Ų230130.4 Ų130.487%0.86868%0.675SS**  trans-82.264.8157.7-75.1-174.1179.4-177.10.8108.8E86R84-E86 VanDerWaalsContact C-N 3.3Å; R84-E86 PolarHBondContact O-N 3.35Å
85A36.6Very low41.6Very low83 Ų83123.2 Ų123.269%0.68664%0.642SS**  trans-60.5109151.100000104.1C83 E87C83-A85 PolarHBondContact O-N 3.22Å; C83-A85 VanDerWaalsContact O-N 3.11Å; A85-E87 VanDerWaalsContact C-N 3.32Å; A85-E87 PolarHBondContact O-N 2.98Å
86E37.5Very low43.8Very low170 Ų170119.5 Ų119.579%0.79462%0.624SS**  trans-48.7102176-66.1176.4168.400107.4R84 K88R84-E86 VanDerWaalsContact C-N 3.3Å; R84-E86 PolarHBondContact O-N 3.35Å; E86-K88 PolarHBondContact O-N 3.41Å
87E43Very low46.3Very low177 Ų177113.4 Ų113.483%0.82759%0.593SS**  trans-63.497.2173.2-71.6-167.9173.700104.8A85 Q89A85-E87 VanDerWaalsContact C-N 3.32Å; A85-E87 PolarHBondContact O-N 2.98Å; E87-Q89 PolarHBondContact O-N 2.87Å
88K43Very low48.8Very low134 Ų134108.2 Ų108.258%0.58357%0.57SS**  trans-60.391.3174.9-78.3179.6178.8170.20107.3E86 F90 Y305E86-K88 PolarHBondContact O-N 3.41Å; K88-F90 HydrophobicContact CB-CD2 4.15Å; K88-F90 HydrophobicContact CB-CE2 3.78Å; K88-F90 HydrophobicContact CD-CE2 4.27Å; K88-F90 WeakPolarHBondContact O-CD2 3.43Å; K88-F90 PolarHBondContact O-N 3.43Å; K88-F90 VanDerWaalsContact O-N 3.14Å; K88-Y305 WeakPolarHBondContact O-CD1 3.4Å
89Q43.5Very low51.5Low189 Ų189109.5 Ų109.588%0.88357%0.569SS**  trans-77.1101.8178.8-153.8177.628.500106.6E87E87-Q89 PolarHBondContact O-N 2.87Å
90F49.4Very low54.3Low75 Ų75103.4 Ų103.433%0.32954%0.538SS..  trans-89.8139172.8-77.5-85.3000110.1K88 F95 Y305K88-F90 HydrophobicContact CB-CD2 4.15Å; K88-F90 HydrophobicContact CB-CE2 3.78Å; K88-F90 HydrophobicContact CD-CE2 4.27Å; K88-F90 WeakPolarHBondContact O-CD2 3.43Å; K88-F90 PolarHBondContact O-N 3.43Å; K88-F90 VanDerWaalsContact O-N 3.14Å; F90-F95 HydrophobicContact CB-CD2 3.7Å; F90-F95 HydrophobicContact CB-CE2 4.2Å; F90-F95 HydrophobicContact CD1-CD2 4.42Å; F90-F95 HydrophobicContact CD2-CD2 4.5Å; F90-F95 HydrophobicContact CD2-CE2 4.22Å; F90-F95 AromaticContact CG-CD2 3.98Å; F90-F95 HydrophobicContact CG-CD2 3.98Å; F90-F95 HydrophobicContact CG-CE2 4.15Å; F90-Y305 HydrophobicContact CD2-CD2 4.18Å; F90-Y305 AromaticContact CD2-CE2 3.98Å; F90-Y305 HydrophobicContact CD2-CE2 3.98Å; F90-Y305 HydrophobicContact CE2-CE2 4.43Å
91D49.6Very low56.9Low82 Ų82101.4 Ų101.444%0.43952%0.524SS..  trans-72.2123.1166172.64.4000108.7V93 T94 F95D91-V93 PolarHBondContact O-N 3.48Å; D91-V93 WeakPolarHBondContact OD1-CB 3.31Å; D91-V93 PolarHBondContact OD1-N 3.29Å; D91-T94 CarbonylContact O-C 3.4Å; D91-T94 PolarHBondContact O-N 3.43Å; D91-T94 PolarHBondContact O-OG1 3.44Å; D91-F95 PolarHBondContact O-N 2.7Å
92P49.4Very low60Low72 Ų7298.7 Ų98.747%0.46850%0.504SS..THydrogen-bonded Turntrans-52.1-29.7178.6-24.431.6000113.8
93V54Low63Low129 Ų12995.5 Ų95.578%0.78249%0.49SS*.THydrogen-bonded Turntrans-71.6-31.7-180-175.30000111.7D91D91-V93 PolarHBondContact O-N 3.48Å; D91-V93 WeakPolarHBondContact OD1-CB 3.31Å; D91-V93 PolarHBondContact OD1-N 3.29Å
94T58.2Low66Low95 Ų9593.8 Ų93.858%0.58347%0.471SS*.THydrogen-bonded Turntrans-105.25.9-17864.10000113.3D91 N96D91-T94 CarbonylContact O-C 3.4Å; D91-T94 PolarHBondContact O-N 3.43Å; D91-T94 PolarHBondContact O-OG1 3.44Å; T94-N96 PolarHBondContact O-N 3.19Å; T94-N96 VanDerWaalsContact O-N 3.15Å
95F69.1Low69Low19 Ų1982.9 Ų82.98%0.08343%0.429CS..  trans-60.9118.1-177.8-168.4-91.8000110.8F90 D91 V97 V100 Y305 F306 Y309F90-F95 HydrophobicContact CB-CD2 3.7Å; F90-F95 HydrophobicContact CB-CE2 4.2Å; F90-F95 HydrophobicContact CD1-CD2 4.42Å; F90-F95 HydrophobicContact CD2-CD2 4.5Å; F90-F95 HydrophobicContact CD2-CE2 4.22Å; F90-F95 AromaticContact CG-CD2 3.98Å; F90-F95 HydrophobicContact CG-CD2 3.98Å; F90-F95 HydrophobicContact CG-CE2 4.15Å; D91-F95 PolarHBondContact O-N 2.7Å; F95-V97 HydrophobicContact CD1-CG2 4.14Å; F95-V97 HydrophobicContact CE1-CG2 4.14Å; F95-V100 HydrophobicContact CE1-CG2 3.82Å; F95-V100 HydrophobicContact CE2-CG2 4.33Å; F95-V100 HydrophobicContact CZ-CG2 3.33Å; F95-Y305 HydrophobicContact CE2-CD2 4.08Å; F95-Y305 AromaticContact CE2-CE2 3.97Å; F95-Y305 HydrophobicContact CE2-CE2 3.97Å; F95-F306 AromaticContact CE1-CD2 3.89Å; F95-F306 HydrophobicContact CE1-CD2 3.89Å; F95-F306 AromaticContact CE1-CE2 3.66Å; F95-F306 HydrophobicContact CE1-CE2 3.66Å; F95-F306 HydrophobicContact CE2-CD2 4.32Å; F95-F306 AromaticContact CZ-CD2 3.43Å; F95-F306 HydrophobicContact CZ-CD2 3.43Å; F95-F306 VanDerWaalsContact CZ-CD2 3.43Å; F95-F306 AromaticContact CZ-CE2 3.67Å; F95-F306 HydrophobicContact CZ-CE2 3.67Å; F95-Y309 HydrophobicContact CB-CD2 3.69Å; F95-Y309 HydrophobicContact CB-CE2 3.82Å; F95-Y309 HydrophobicContact CB-CG 4.39Å; F95-Y309 AromaticContact CD1-CD1 3.71Å; F95-Y309 HydrophobicContact CD1-CD1 3.71Å; F95-Y309 AromaticContact CD1-CD2 3.65Å; F95-Y309 HydrophobicContact CD1-CD2 3.65Å; F95-Y309 AromaticContact CD1-CE1 3.63Å; F95-Y309 HydrophobicContact CD1-CE1 3.63Å; F95-Y309 AromaticContact CD1-CE2 3.58Å; F95-Y309 HydrophobicContact CD1-CE2 3.58Å; F95-Y309 AromaticContact CD1-CG 3.72Å; F95-Y309 HydrophobicContact CD1-CG 3.72Å; F95-Y309 AromaticContact CD1-CZ 3.57Å; F95-Y309 HydrophobicContact CD2-CG 4.44Å; F95-Y309 AromaticContact CE1-CD1 3.76Å; F95-Y309 HydrophobicContact CE1-CD1 3.76Å; F95-Y309 HydrophobicContact CE1-CD2 4.5Å; F95-Y309 AromaticContact CE1-CE1 3.81Å; F95-Y309 HydrophobicContact CE1-CE1 3.81Å; F95-Y309 HydrophobicContact CE1-CG 4.13Å; F95-Y309 HydrophobicContact CG-CD1 4.35Å; F95-Y309 AromaticContact CG-CD2 3.67Å; F95-Y309 HydrophobicContact CG-CD2 3.67Å; F95-Y309 AromaticContact CG-CE2 3.94Å; F95-Y309 HydrophobicContact CG-CE2 3.94Å; F95-Y309 AromaticContact CG-CG 3.9Å; F95-Y309 HydrophobicContact CG-CG 3.9Å; F95-Y309 HydrophobicContact CZ-CD1 4.46Å
96N79.3Confident72Confident60 Ų6078.9 Ų78.932%0.32140%0.397SS..  trans-105.5105.6179.9-174.7-15.5000109.8T94 L98 K99T94-N96 PolarHBondContact O-N 3.19Å; T94-N96 VanDerWaalsContact O-N 3.15Å; N96-L98 PolarHBondContact O-N 3.15Å; N96-L98 VanDerWaalsContact OD1-CB 3.31Å; N96-L98 WeakPolarHBondContact OD1-CB 3.4Å; N96-L98 PolarHBondContact OD1-N 3.06Å; N96-K99 HydrophobicContact CB-CB 4.49Å; N96-K99 HydrophobicContact CB-CD 4.05Å; N96-K99 HydrophobicContact CB-CG 3.99Å; N96-K99 WeakPolarHBondContact O-CB 3.36Å; N96-K99 PolarHBondContact O-N 3.21Å
97V87.2Confident74.8Confident0 Ų071.3 Ų71.30%036%0.363CS..G310 helixtrans-55.1-35179.4179.80000112.1F95 K99 V100 I105 W155 E159 M172 Y309F95-V97 HydrophobicContact CD1-CG2 4.14Å; F95-V97 HydrophobicContact CE1-CG2 4.14Å; V97-K99 PolarHBondContact O-N 2.85Å; V97-V100 PolarHBondContact O-N 2.89Å; V97-I105 HydrophobicContact CG1-CD1 3.75Å; V97-W155 HydrophobicContact CG1-CZ2 4.02Å; V97-W155 HydrophobicContact CG2-CZ2 4.21Å; V97-E159 HydrophobicContact CG2-CG 4.02Å; V97-E159 WeakPolarHBondContact CG2-OE2 3.48Å; V97-M172 HydrophobicContact CB-CE 4.23Å; V97-M172 HydrophobicContact CB-SD 4.34Å; V97-M172 HydrophobicContact CG1-SD 4.36Å; V97-Y309 HydrophobicContact CG2-CE1 4.04Å; V97-Y309 WeakPolarHBondContact CG2-OH 3.44Å
98L90.9Very high77.3Confident45 Ų4562.9 Ų62.924%0.23632%0.324CS..G310 helixtrans-64.8-18.9178-69.3172.5000113.9N96 E171 M172 H175N96-L98 PolarHBondContact O-N 3.15Å; N96-L98 VanDerWaalsContact OD1-CB 3.31Å; N96-L98 WeakPolarHBondContact OD1-CB 3.4Å; N96-L98 PolarHBondContact OD1-N 3.06Å; L98-E171 HydrophobicContact CD1-CB 4.42Å; L98-E171 HydrophobicContact CD2-CB 4.37Å; L98-M172 HydrophobicContact CD1-CE 4.17Å; L98-M172 HydrophobicContact CD2-CB 4.37Å; L98-M172 HydrophobicContact CD2-CE 4.34Å; L98-M172 HydrophobicContact CD2-SD 4Å; L98-M172 HydrophobicContact CG-CE 3.73Å; L98-M172 HydrophobicContact CG-SD 4.05Å; L98-H175 HydrophobicContact CD2-CB 3.81Å
99K89.6Confident79.8Confident158 Ų15856.5 Ų56.569%0.68730%0.296SS*.G310 helixtrans-84.6-11.6178.8-67.2-173.9179177.90113.3N96 V97N96-K99 HydrophobicContact CB-CB 4.49Å; N96-K99 HydrophobicContact CB-CD 4.05Å; N96-K99 HydrophobicContact CB-CG 3.99Å; N96-K99 WeakPolarHBondContact O-CB 3.36Å; N96-K99 PolarHBondContact O-N 3.21Å; V97-K99 PolarHBondContact O-N 2.85Å
100V91.2Very high82.4Confident11 Ų1147.5 Ų47.57%0.06725%0.254CS..SBendtrans-91.6144.4178.2-167.50000108.8F95 V97 E104 I105 H175 F306F95-V100 HydrophobicContact CE1-CG2 3.82Å; F95-V100 HydrophobicContact CE2-CG2 4.33Å; F95-V100 HydrophobicContact CZ-CG2 3.33Å; V97-V100 PolarHBondContact O-N 2.89Å; V100-E104 HydrophobicContact CG1-CB 3.83Å; V100-I105 HydrophobicContact CB-CD1 3.95Å; V100-I105 HydrophobicContact CB-CG1 3.88Å; V100-I105 HydrophobicContact CG1-CD1 4.27Å; V100-I105 HydrophobicContact CG1-CG1 3.63Å; V100-H175 PolarHBondContact O-CE1 3.45Å; V100-H175 VanDerWaalsContact O-CE1 3.22Å; V100-F306 HydrophobicContact CG1-CE2 4.43Å; V100-F306 HydrophobicContact CG2-CD2 4.36Å; V100-F306 HydrophobicContact CG2-CE2 4.17Å
101S94.4Very high84.7Confident43 Ų4345.8 Ų45.830%0.30125%0.248SC..  trans-68.9152.5176.168.20000111.7E103 E104 I105S101-E103 PolarHBondContact O-N 3.3Å; S101-E104 WeakPolarHBondContact CB-OE2 3.06Å; S101-E104 PolarHBondContact N-OE2 3.17Å; S101-E104 PolarHBondContact O-N 2.91Å; S101-E104 VanDerWaalsContact OG-CB 3.27Å; S101-E104 WeakPolarHBondContact OG-CB 3.48Å; S101-E104 WeakPolarHBondContact OG-CG 3.46Å; S101-E104 PolarHBondContact OG-N 3.12Å; S101-E104 PolarHBondContact OG-OE2 3.5Å; S101-I105 WeakPolarHBondContact O-CG1 3.27Å; S101-I105 PolarHBondContact O-N 3.28Å; S101-I105 VanDerWaalsContact O-N 3.11Å
102V97.6Very high86.7Confident19 Ų1942.6 Ų42.612%0.11523%0.234CC..Hα-helixtrans-60.2-38.9177.6171.20000110.6A106 K178 I179 K182V102-A106 VanDerWaalsContact O-CB 3.31Å; V102-A106 WeakPolarHBondContact O-CB 3.43Å; V102-A106 PolarHBondContact O-N 3.01Å; V102-K178 VanDerWaalsContact CG1-C 3.43Å; V102-K178 HydrophobicContact CG1-CB 3.96Å; V102-K178 WeakPolarHBondContact CG1-O 3.28Å; V102-K178 HydrophobicContact CG2-CB 3.83Å; V102-I179 HydrophobicContact CB-CG1 4.47Å; V102-I179 HydrophobicContact CG1-CB 4.46Å; V102-I179 HydrophobicContact CG1-CG1 4.04Å; V102-I179 HydrophobicContact CG2-CG1 4.42Å; V102-K182 HydrophobicContact CG1-CB 3.77Å; V102-K182 HydrophobicContact CG1-CG 4.31Å
103E96.7Very high89Confident103 Ų10339.1 Ų39.148%0.48121%0.212SC..Hα-helixtrans-63.6-46.7178.5-66.367.8-152.500111.7S101 A106 A107 K182S101-E103 PolarHBondContact O-N 3.3Å; E103-A106 PolarHBondContact O-N 3.08Å; E103-A107 VanDerWaalsContact O-CB 3.31Å; E103-A107 WeakPolarHBondContact O-CB 3.47Å; E103-A107 PolarHBondContact O-N 3.41Å; E103-K182 HydrophobicContact CG-CD 4.06Å
104E94.3Very high91Very high76 Ų7633.9 Ų33.936%0.35518%0.179SC..Hα-helixtrans-63.6-47.3178.2-75.2163.4151.500111.3V100 S101 A106 A107 Q108 I303V100-E104 HydrophobicContact CG1-CB 3.83Å; S101-E104 WeakPolarHBondContact CB-OE2 3.06Å; S101-E104 PolarHBondContact N-OE2 3.17Å; S101-E104 PolarHBondContact O-N 2.91Å; S101-E104 VanDerWaalsContact OG-CB 3.27Å; S101-E104 WeakPolarHBondContact OG-CB 3.48Å; S101-E104 WeakPolarHBondContact OG-CG 3.46Å; S101-E104 PolarHBondContact OG-N 3.12Å; S101-E104 PolarHBondContact OG-OE2 3.5Å; E104-A106 PolarHBondContact O-N 3.48Å; E104-A107 WeakPolarHBondContact O-CB 2.79Å; E104-A107 PolarHBondContact O-N 3.42Å; E104-Q108 VanDerWaalsContact O-CG 3.31Å; E104-Q108 WeakPolarHBondContact O-CG 3.42Å; E104-Q108 PolarHBondContact O-N 3.34Å; E104-I303 HydrophobicContact CB-CD1 4.07Å; E104-I303 HydrophobicContact CG-CD1 3.85Å
105I95.6Very high92.9Very high0 Ų033.1 Ų33.10%018%0.176CC..Hα-helixtrans-60.2-47.5178.4-65.6175.4000110.6V97 V100 S101 A107 Q108 L109 W155 H175 I179 F306V97-I105 HydrophobicContact CG1-CD1 3.75Å; V100-I105 HydrophobicContact CB-CD1 3.95Å; V100-I105 HydrophobicContact CB-CG1 3.88Å; V100-I105 HydrophobicContact CG1-CD1 4.27Å; V100-I105 HydrophobicContact CG1-CG1 3.63Å; S101-I105 WeakPolarHBondContact O-CG1 3.27Å; S101-I105 PolarHBondContact O-N 3.28Å; S101-I105 VanDerWaalsContact O-N 3.11Å; I105-A107 VanDerWaalsContact C-N 3.27Å; I105-A107 PolarHBondContact O-N 3.47Å; I105-Q108 PolarHBondContact O-N 2.93Å; I105-L109 HydrophobicContact CG2-CD1 4Å; I105-L109 HydrophobicContact CG2-CG 4.36Å; I105-L109 WeakPolarHBondContact O-CG 3.49Å; I105-L109 PolarHBondContact O-N 3.08Å; I105-W155 HydrophobicContact CG2-CH2 3.78Å; I105-H175 VanDerWaalsContact CD1-NE2 3.35Å; I105-H175 WeakPolarHBondContact CD1-NE2 3.19Å; I105-I179 HydrophobicContact CB-CD1 4.26Å; I105-I179 HydrophobicContact CB-CG1 4.32Å; I105-I179 HydrophobicContact CD1-CD1 3.74Å; I105-I179 HydrophobicContact CD1-CG1 4.44Å; I105-I179 HydrophobicContact CG2-CD1 3.83Å; I105-I179 HydrophobicContact CG2-CG1 4.16Å; I105-I179 HydrophobicContact CG2-CG2 3.9Å; I105-F306 HydrophobicContact CB-CZ 4.22Å; I105-F306 HydrophobicContact CD1-CZ 4.43Å; I105-F306 HydrophobicContact CG1-CE1 4.46Å; I105-F306 HydrophobicContact CG1-CE2 3.99Å; I105-F306 HydrophobicContact CG1-CZ 3.69Å; I105-F306 HydrophobicContact CG2-CE1 4.39Å; I105-F306 HydrophobicContact CG2-CZ 4.02Å
106A98.1Very high94.1Very high0 Ų034.4 Ų34.40%018%0.183CC..Hα-helixtrans-61.6-38.1178.900000111.7V102 E103 E104 T110 K182 L183 L186V102-A106 VanDerWaalsContact O-CB 3.31Å; V102-A106 WeakPolarHBondContact O-CB 3.43Å; V102-A106 PolarHBondContact O-N 3.01Å; E103-A106 PolarHBondContact O-N 3.08Å; E104-A106 PolarHBondContact O-N 3.48Å; A106-T110 WeakPolarHBondContact O-CB 3.5Å; A106-T110 PolarHBondContact O-N 3.17Å; A106-T110 VanDerWaalsContact O-N 3.09Å; A106-T110 PolarHBondContact O-OG1 3.03Å; A106-K182 HydrophobicContact CB-CB 3.85Å; A106-K182 HydrophobicContact CB-CG 3.52Å; A106-L183 HydrophobicContact CB-CD2 3.95Å; A106-L183 HydrophobicContact CB-CG 3.99Å; A106-L183 WeakPolarHBondContact O-CD2 3.49Å; A106-L186 HydrophobicContact CB-CD1 3.9Å
107A96.9Very high95Very high10 Ų1031.6 Ų31.68%0.08317%0.168CC..Hα-helixtrans-64.7-46174.900000111.9E103 E104 I105 T110 L111 L300E103-A107 VanDerWaalsContact O-CB 3.31Å; E103-A107 WeakPolarHBondContact O-CB 3.47Å; E103-A107 PolarHBondContact O-N 3.41Å; E104-A107 WeakPolarHBondContact O-CB 2.79Å; E104-A107 PolarHBondContact O-N 3.42Å; I105-A107 VanDerWaalsContact C-N 3.27Å; I105-A107 PolarHBondContact O-N 3.47Å; A107-T110 PolarHBondContact O-N 2.96Å; A107-L111 WeakPolarHBondContact O-CB 3.23Å; A107-L111 WeakPolarHBondContact O-CG 3.45Å; A107-L111 PolarHBondContact O-N 3.21Å; A107-L300 HydrophobicContact CB-CB 4.35Å; A107-L300 HydrophobicContact CB-CD1 4.16Å; A107-L300 HydrophobicContact CB-CD2 4.07Å; A107-L300 HydrophobicContact CB-CG 4.43Å
108Q95.5Very high95.6Very high1 Ų135.5 Ų35.51%0.00519%0.185CC..Hα-helixtrans-65.4-40.3179.3-64.8-40.2-59.400113E104 I105 T110 L111 G112 N301 I303 F306 Q307E104-Q108 VanDerWaalsContact O-CG 3.31Å; E104-Q108 WeakPolarHBondContact O-CG 3.42Å; E104-Q108 PolarHBondContact O-N 3.34Å; I105-Q108 PolarHBondContact O-N 2.93Å; Q108-T110 VanDerWaalsContact C-N 3.32Å; Q108-T110 PolarHBondContact O-N 2.91Å; Q108-L111 PolarHBondContact O-N 3.42Å; Q108-G112 PolarHBondContact O-N 3.46Å; Q108-N301 PolarHBondContact NE2-O 2.97Å; Q108-I303 VanDerWaalsContact CD-N 3.3Å; Q108-I303 HydrophobicContact CG-CB 4.28Å; Q108-F306 HydrophobicContact CB-CD1 3.34Å; Q108-F306 HydrophobicContact CB-CE1 3.72Å; Q108-F306 HydrophobicContact CB-CG 4.35Å; Q108-F306 HydrophobicContact CG-CB 4.05Å; Q108-F306 HydrophobicContact CG-CD1 3.43Å; Q108-F306 VanDerWaalsContact CG-CD1 3.43Å; Q108-F306 HydrophobicContact CG-CE1 4.16Å; Q108-F306 HydrophobicContact CG-CG 3.97Å; Q108-Q307 PolarHBondContact O-NE2 2.97Å
109L96.3Very high95.9Very high0 Ų035.3 Ų35.30%019%0.19CC..Hα-helixtrans-60-45.5173.4-71.8172.7000111I105 G112 D113 R148 V152 W155 I179 L183 I195 L310I105-L109 HydrophobicContact CG2-CD1 4Å; I105-L109 HydrophobicContact CG2-CG 4.36Å; I105-L109 WeakPolarHBondContact O-CG 3.49Å; I105-L109 PolarHBondContact O-N 3.08Å; L109-G112 PolarHBondContact O-N 2.8Å; L109-D113 WeakPolarHBondContact O-CB 3.5Å; L109-D113 PolarHBondContact O-N 3.23Å; L109-D113 VanDerWaalsContact O-OD2 3.04Å; L109-R148 PolarHBondContact O-NH2 3.25Å; L109-V152 HydrophobicContact CD2-CG1 4.42Å; L109-V152 HydrophobicContact CD2-CG2 3.8Å; L109-W155 HydrophobicContact CD1-CZ3 4.13Å; L109-W155 HydrophobicContact CD2-CZ3 4.16Å; L109-I179 HydrophobicContact CD1-CG2 4.11Å; L109-L183 HydrophobicContact CB-CD2 4.14Å; L109-L183 HydrophobicContact CD1-CD1 3.92Å; L109-L183 HydrophobicContact CD1-CD2 4.43Å; L109-I195 HydrophobicContact CD1-CD1 4.15Å; L109-L310 HydrophobicContact CD2-CD1 4.02Å
110T98.1Very high96.3Very high0 Ų028 Ų280%016%0.158CC..Hα-helixtrans-63.2-45.4178.9-56.60000112.6A106 A107 Q108 G112 D113 L114 N188 I250 Y297 L300A106-T110 WeakPolarHBondContact O-CB 3.5Å; A106-T110 PolarHBondContact O-N 3.17Å; A106-T110 VanDerWaalsContact O-N 3.09Å; A106-T110 PolarHBondContact O-OG1 3.03Å; A107-T110 PolarHBondContact O-N 2.96Å; Q108-T110 VanDerWaalsContact C-N 3.32Å; Q108-T110 PolarHBondContact O-N 2.91Å; T110-G112 VanDerWaalsContact C-N 3.3Å; T110-G112 PolarHBondContact O-N 3.47Å; T110-D113 PolarHBondContact O-N 3.05Å; T110-L114 WeakPolarHBondContact O-CB 3.42Å; T110-L114 PolarHBondContact O-N 3.01Å; T110-L114 VanDerWaalsContact O-N 3.08Å; T110-N188 VanDerWaalsContact CA-ND2 3.26Å; T110-N188 WeakPolarHBondContact CA-ND2 3.48Å; T110-N188 HydrophobicContact CG2-CB 4.3Å; T110-N188 PolarHBondContact OG1-ND2 3.45Å; T110-I250 HydrophobicContact CG2-CD1 3.93Å; T110-Y297 HydrophobicContact CG2-CD1 3.77Å; T110-Y297 HydrophobicContact CG2-CD2 3.83Å; T110-Y297 HydrophobicContact CG2-CE1 3.66Å; T110-Y297 HydrophobicContact CG2-CE2 3.71Å; T110-Y297 HydrophobicContact CG2-CG 3.84Å; T110-L300 HydrophobicContact CG2-CD1 4Å
111L96.1Very high96.6Very high39 Ų3935 Ų3520%0.20418%0.183CC..Hα-helixtrans-64.5-33.1177.5-73.4172.9000112.7A107 Q108 P115 L300A107-L111 WeakPolarHBondContact O-CB 3.23Å; A107-L111 WeakPolarHBondContact O-CG 3.45Å; A107-L111 PolarHBondContact O-N 3.21Å; Q108-L111 PolarHBondContact O-N 3.42Å; L111-P115 WeakPolarHBondContact O-CD 3.37Å; L111-L300 HydrophobicContact CD1-CB 4.02Å; L111-L300 HydrophobicContact CD2-CB 4.06Å; L111-L300 HydrophobicContact CG-CB 4.06Å
112G93.2Very high96.7Very high14 Ų1435.5 Ų35.514%0.14419%0.186CC..Hα-helixtrans-82-27.6175.600000114Q108 L109 T110 R148Q108-G112 PolarHBondContact O-N 3.46Å; L109-G112 PolarHBondContact O-N 2.8Å; T110-G112 VanDerWaalsContact C-N 3.3Å; T110-G112 PolarHBondContact O-N 3.47Å; G112-R148 VanDerWaalsContact C-NE 3.33Å; G112-R148 VanDerWaalsContact C-NH2 3.27Å; G112-R148 VanDerWaalsContact CA-NH2 3.27Å; G112-R148 PolarHBondContact O-NE 2.87Å
113D96.1Very high96.5Very high0 Ų038.9 Ų38.90%020%0.2CC..Hα-helixtrans-71.6-42.3177.1-75.9-36.6000111.6L109 T110 I116 F117 F145 R148 N188 H190 S191 I250L109-D113 WeakPolarHBondContact O-CB 3.5Å; L109-D113 PolarHBondContact O-N 3.23Å; L109-D113 VanDerWaalsContact O-OD2 3.04Å; T110-D113 PolarHBondContact O-N 3.05Å; D113-I116 PolarHBondContact O-N 3.11Å; D113-F117 PolarHBondContact O-N 3.07Å; D113-F145 HydrophobicContact CB-CE2 4.12Å; D113-R148 WeakPolarHBondContact OD1-CD 3.39Å; D113-R148 IonicContact OD1-CZ 2.7Å; D113-R148 IonicContact OD1-NE 3.62Å; D113-R148 PolarHBondContact OD1-NE 3.48Å; D113-R148 IonicContact OD1-NH2 2.85Å; D113-N188 PolarHBondContact OD2-ND2 3.08Å; D113-N188 PolarHBondContact OD2-OD1 3.31Å; D113-H190 IonicContact OD1-CD2 3.78Å; D113-S191 PolarHBondContact OD1-OG 3.38Å; D113-S191 VanDerWaalsContact OD2-CB 3.26Å; D113-S191 WeakPolarHBondContact OD2-CB 3.36Å; D113-S191 PolarHBondContact OD2-OG 3.32Å; D113-I250 HydrophobicContact CB-CD1 3.65Å; D113-I250 HydrophobicContact CB-CG2 4.37Å
114L97.8Very high96.4Very high18 Ų1834.2 Ų34.29%0.09418%0.178CC..Hα-helixtrans-59-49.7-167.9-178.372000113.7T110 I116 F117 K118 I250 Y297T110-L114 WeakPolarHBondContact O-CB 3.42Å; T110-L114 PolarHBondContact O-N 3.01Å; T110-L114 VanDerWaalsContact O-N 3.08Å; L114-I116 VanDerWaalsContact C-N 3.29Å; L114-I116 PolarHBondContact O-N 2.88Å; L114-F117 PolarHBondContact O-N 3.2Å; L114-K118 HydrophobicContact CD1-CD 4.48Å; L114-K118 HydrophobicContact CD1-CG 4.3Å; L114-K118 HydrophobicContact CG-CD 4.32Å; L114-K118 HydrophobicContact CG-CG 4.41Å; L114-K118 WeakPolarHBondContact O-CG 3.38Å; L114-K118 PolarHBondContact O-N 2.81Å; L114-I250 HydrophobicContact CB-CD1 3.87Å; L114-I250 HydrophobicContact CD1-CD1 4.2Å; L114-I250 HydrophobicContact CD1-CG1 4.08Å; L114-Y297 HydrophobicContact CD1-CD2 4.22Å; L114-Y297 HydrophobicContact CD1-CE2 4.07Å; L114-Y297 HydrophobicContact CD2-CD2 3.82Å; L114-Y297 HydrophobicContact CG-CD2 4.45Å
115P96.5Very high96.4Very high80 Ų8030.9 Ų30.952%0.51916%0.163SC..Hα-helixtrans-60.6-38.6-178.8-23.634.3000112.7L111 K118 A119L111-P115 WeakPolarHBondContact O-CD 3.37Å; P115-K118 PolarHBondContact O-N 2.95Å; P115-A119 WeakPolarHBondContact O-CB 3.49Å; P115-A119 PolarHBondContact O-N 3.46Å
116I95.6Very high96.3Very high45 Ų4532.8 Ų32.823%0.23118%0.175CC..Hα-helixtrans-69.2-43.2179.9-52.1-177.1000110.1D113 L114 K118 A119 A144 F145 R148D113-I116 PolarHBondContact O-N 3.11Å; L114-I116 VanDerWaalsContact C-N 3.29Å; L114-I116 PolarHBondContact O-N 2.88Å; I116-K118 PolarHBondContact O-N 2.99Å; I116-A119 PolarHBondContact O-N 3.34Å; I116-A144 HydrophobicContact CG2-CB 3.81Å; I116-F145 HydrophobicContact CB-CD2 4.1Å; I116-F145 HydrophobicContact CG2-CB 3.96Å; I116-F145 HydrophobicContact CG2-CD2 3.99Å; I116-F145 HydrophobicContact CG2-CG 4.45Å; I116-R148 HydrophobicContact CD1-CB 4.49Å
117F98.4Very high95.8Very high2 Ų235.3 Ų35.31%0.00919%0.192CC..Hα-helixtrans-60.8-43.2174.7175.1-117.1000112.2D113 L114 A119 I120 F145 I250 P251 L289 Q293D113-F117 PolarHBondContact O-N 3.07Å; L114-F117 PolarHBondContact O-N 3.2Å; F117-A119 VanDerWaalsContact C-N 3.26Å; F117-A119 PolarHBondContact O-N 3.25Å; F117-I120 HydrophobicContact CD2-CD1 4.06Å; F117-I120 PolarHBondContact O-N 3.12Å; F117-F145 HydrophobicContact CB-CD2 4.3Å; F117-F145 HydrophobicContact CB-CE1 4.36Å; F117-F145 HydrophobicContact CB-CE2 3.81Å; F117-F145 HydrophobicContact CB-CZ 3.83Å; F117-F145 HydrophobicContact CD2-CE1 4.05Å; F117-F145 HydrophobicContact CD2-CZ 4.27Å; F117-F145 HydrophobicContact CG-CZ 4.32Å; F117-I250 HydrophobicContact CB-CG2 4.38Å; F117-I250 HydrophobicContact CD1-CG2 4.46Å; F117-I250 HydrophobicContact CG-CG2 4.35Å; F117-P251 HydrophobicContact CE1-CG 4.14Å; F117-P251 HydrophobicContact CE2-CG 3.7Å; F117-P251 VanDerWaalsContact CZ-CD 3.48Å; F117-P251 HydrophobicContact CZ-CG 3.45Å; F117-P251 VanDerWaalsContact CZ-CG 3.45Å; F117-L289 HydrophobicContact CE2-CD2 4.31Å; F117-L289 HydrophobicContact CZ-CD2 4.4Å; F117-Q293 HydrophobicContact CD1-CG 4.18Å; F117-Q293 HydrophobicContact CE1-CB 4.39Å; F117-Q293 HydrophobicContact CE1-CG 3.68Å; F117-Q293 HydrophobicContact CE2-CG 4.4Å; F117-Q293 HydrophobicContact CZ-CG 3.79Å; F117-Q293 PolarHBondContact O-NE2 3.43Å
118K98.4Very high95.4Very high82 Ų8236.1 Ų36.136%0.35720%0.197SC..Hα-helixtrans-65-28.2176.3-72.9-167.8-178.1-162.60113.5L114 P115 I116 I120 Q293 S295L114-K118 HydrophobicContact CD1-CD 4.48Å; L114-K118 HydrophobicContact CD1-CG 4.3Å; L114-K118 HydrophobicContact CG-CD 4.32Å; L114-K118 HydrophobicContact CG-CG 4.41Å; L114-K118 WeakPolarHBondContact O-CG 3.38Å; L114-K118 PolarHBondContact O-N 2.81Å; P115-K118 PolarHBondContact O-N 2.95Å; I116-K118 PolarHBondContact O-N 2.99Å; K118-I120 VanDerWaalsContact C-N 3.29Å; K118-I120 PolarHBondContact O-N 3.27Å; K118-Q293 WeakPolarHBondContact CE-O 3.32Å; K118-Q293 WeakPolarHBondContact CG-O 3.42Å; K118-Q293 PolarHBondContact O-NE2 3.06Å; K118-S295 WeakPolarHBondContact CE-O 3.24Å; K118-S295 PolarHBondContact NZ-O 3.48Å
119A98.4Very high94.9Very high40 Ų4037 Ų3733%0.33121%0.205SC..Hα-helixtrans-74.2-17.3179.700000113.5P115 I116 F117 R121 N141P115-A119 WeakPolarHBondContact O-CB 3.49Å; P115-A119 PolarHBondContact O-N 3.46Å; I116-A119 PolarHBondContact O-N 3.34Å; F117-A119 VanDerWaalsContact C-N 3.26Å; F117-A119 PolarHBondContact O-N 3.25Å; A119-R121 PolarHBondContact O-N 3.09Å; A119-N141 HydrophobicContact CB-CB 4.29Å; A119-N141 WeakPolarHBondContact CB-OD1 3.48Å; A119-N141 PolarHBondContact O-ND2 3.33Å
120I97.3Very high94.4Very high5 Ų537.2 Ų37.23%0.02621%0.205CC..  trans-60.9119.2-180-62.9173.2000110.6F117 K118 L125 N141 V142 F145 L253 Q293F117-I120 HydrophobicContact CD2-CD1 4.06Å; F117-I120 PolarHBondContact O-N 3.12Å; K118-I120 VanDerWaalsContact C-N 3.29Å; K118-I120 PolarHBondContact O-N 3.27Å; I120-L125 HydrophobicContact CG2-CD1 3.84Å; I120-L125 HydrophobicContact CG2-CD2 4.13Å; I120-L125 HydrophobicContact CG2-CG 3.87Å; I120-N141 HydrophobicContact CB-CB 4.46Å; I120-N141 HydrophobicContact CG1-CB 3.94Å; I120-V142 HydrophobicContact CG2-CG2 3.78Å; I120-F145 HydrophobicContact CD1-CB 4.16Å; I120-F145 HydrophobicContact CD1-CD1 4.2Å; I120-F145 HydrophobicContact CD1-CG 4.32Å; I120-L253 HydrophobicContact CD1-CD1 4.32Å; I120-L253 HydrophobicContact CD1-CD2 3.67Å; I120-Q293 PolarHBondContact O-NE2 3.3Å
121R97.3Very high93.4Very high158 Ų15841.7 Ų41.760%0.59623%0.229SC*.  trans-88.9147.6178.7-57.8174.5178.4156.7-0.6111.4A119 E123 E124A119-R121 PolarHBondContact O-N 3.09Å; R121-E123 PolarHBondContact O-N 2.85Å; R121-E124 HydrophobicContact CB-CG 4.12Å; R121-E124 PolarHBondContact N-OE1 2.87Å; R121-E124 WeakPolarHBondContact O-CB 3.47Å; R121-E124 PolarHBondContact O-N 3.15Å; R121-E124 VanDerWaalsContact O-N 3.12Å
122P96.3Very high92.8Very high54 Ų5441.4 Ų41.435%0.35123%0.231SC..Hα-helixtrans-53.4-37.7176-28.836.6000113.8E124 L125 T126 L286P122-E124 VanDerWaalsContact C-N 3.3Å; P122-E124 PolarHBondContact O-N 3.21Å; P122-L125 PolarHBondContact O-N 3.05Å; P122-L125 VanDerWaalsContact O-N 3.15Å; P122-T126 WeakPolarHBondContact O-CG2 3.37Å; P122-T126 PolarHBondContact O-N 2.89Å; P122-T126 PolarHBondContact O-OG1 3.15Å; P122-L286 HydrophobicContact CB-CD1 3.86Å; P122-L286 HydrophobicContact CB-CD2 3.74Å; P122-L286 HydrophobicContact CB-CG 4.39Å; P122-L286 HydrophobicContact CG-CD2 4.46Å
123E94.2Very high92.3Very high89 Ų8949.9 Ų49.942%0.41626%0.258SS..Hα-helixtrans-64-35.7-177.8-63.673.1-15700111.9K43 R121 L125 T126 S127K43-E123 IonicContact NZ-OE1 3.07Å; K43-E123 PolarHBondContact NZ-OE1 3.41Å; R121-E123 PolarHBondContact O-N 2.85Å; E123-L125 VanDerWaalsContact C-N 3.26Å; E123-L125 PolarHBondContact O-N 3.44Å; E123-T126 WeakPolarHBondContact CA-OG1 3.33Å; E123-T126 PolarHBondContact O-OG1 3.04Å; E123-S127 WeakPolarHBondContact O-CB 3.33Å; E123-S127 PolarHBondContact O-N 2.77Å
124E95.1Very high91.8Very high6 Ų653.4 Ų53.43%0.02828%0.277CS..Hα-helixtrans-61.9-36.3176.5-59.6-179-122.700111.4R121 P122 S127 A139 P140 N141 V142R121-E124 HydrophobicContact CB-CG 4.12Å; R121-E124 PolarHBondContact N-OE1 2.87Å; R121-E124 WeakPolarHBondContact O-CB 3.47Å; R121-E124 PolarHBondContact O-N 3.15Å; R121-E124 VanDerWaalsContact O-N 3.12Å; P122-E124 VanDerWaalsContact C-N 3.3Å; P122-E124 PolarHBondContact O-N 3.21Å; E124-S127 PolarHBondContact O-OG 3Å; E124-A139 HydrophobicContact CB-CB 3.97Å; E124-A139 HydrophobicContact CG-CB 4.46Å; E124-A139 VanDerWaalsContact OE2-CA 3.29Å; E124-A139 WeakPolarHBondContact OE2-CA 3.42Å; E124-P140 WeakPolarHBondContact OE2-CD 3.34Å; E124-P140 VanDerWaalsContact OE2-N 3.16Å; E124-N141 WeakPolarHBondContact OE1-CB 3.28Å; E124-N141 PolarHBondContact OE1-ND2 3.47Å; E124-N141 WeakPolarHBondContact OE2-CA 3.37Å; E124-N141 WeakPolarHBondContact OE2-CB 3.38Å; E124-N141 PolarHBondContact OE2-N 2.93Å; E124-V142 HydrophobicContact CB-CG2 3.78Å; E124-V142 PolarHBondContact OE2-N 3.33Å; E124-V142 VanDerWaalsContact OE2-N 3.14Å
125L94.5Very high91.1Very high5 Ų554.6 Ų54.63%0.02628%0.282CS..Hα-helixtrans-81.6-44.3-179.7-61.9169.5000112.1I120 P122 E123 S127 C128 W130 V142 L253 L257 F260 L286 L289I120-L125 HydrophobicContact CG2-CD1 3.84Å; I120-L125 HydrophobicContact CG2-CD2 4.13Å; I120-L125 HydrophobicContact CG2-CG 3.87Å; P122-L125 PolarHBondContact O-N 3.05Å; P122-L125 VanDerWaalsContact O-N 3.15Å; E123-L125 VanDerWaalsContact C-N 3.26Å; E123-L125 PolarHBondContact O-N 3.44Å; L125-S127 PolarHBondContact O-N 3.45Å; L125-C128 PolarHBondContact O-N 3.27Å; L125-W130 WeakPolarHBondContact O-CZ3 3.43Å; L125-V142 HydrophobicContact CD2-CG2 3.76Å; L125-V142 HydrophobicContact CG-CG2 4.34Å; L125-L253 HydrophobicContact CD2-CD1 4.4Å; L125-L257 HydrophobicContact CD2-CD2 3.48Å; L125-L257 VanDerWaalsContact CD2-CD2 3.48Å; L125-F260 HydrophobicContact CB-CD2 4.29Å; L125-F260 HydrophobicContact CB-CE1 4.19Å; L125-F260 HydrophobicContact CB-CE2 3.77Å; L125-F260 HydrophobicContact CB-CZ 3.73Å; L125-F260 HydrophobicContact CD1-CE2 4.08Å; L125-F260 HydrophobicContact CD1-CZ 4.27Å; L125-F260 HydrophobicContact CD2-CE2 4.3Å; L125-F260 HydrophobicContact CG-CE2 4.28Å; L125-L286 HydrophobicContact CB-CD2 4.21Å; L125-L286 HydrophobicContact CD1-CD2 3.81Å; L125-L289 HydrophobicContact CD1-CD1 3.52Å
126T92.4Very high90.5Very high41 Ų4155.2 Ų55.225%0.25228%0.28SS..Hα-helixtrans-67.3-21.1-178.454.30000113.9P122 E123 C128 F260 R278 M282 L286P122-T126 WeakPolarHBondContact O-CG2 3.37Å; P122-T126 PolarHBondContact O-N 2.89Å; P122-T126 PolarHBondContact O-OG1 3.15Å; E123-T126 WeakPolarHBondContact CA-OG1 3.33Å; E123-T126 PolarHBondContact O-OG1 3.04Å; T126-C128 VanDerWaalsContact C-N 3.31Å; T126-F260 HydrophobicContact CG2-CE1 4.46Å; T126-R278 PolarHBondContact O-NH1 3.27Å; T126-R278 PolarHBondContact O-NH2 2.84Å; T126-M282 HydrophobicContact CG2-CB 4.34Å; T126-M282 HydrophobicContact CG2-SD 4.14Å; T126-L286 HydrophobicContact CG2-CD1 3.65Å; T126-L286 HydrophobicContact CG2-CG 4.42Å
127S87.6Confident90.1Very high53 Ų5360.1 Ų60.137%0.37130%0.302SS..THydrogen-bonded Turntrans-72.5-21.4177.474.50000113.7E123 E124 L125 A129E123-S127 WeakPolarHBondContact O-CB 3.33Å; E123-S127 PolarHBondContact O-N 2.77Å; E124-S127 PolarHBondContact O-OG 3Å; L125-S127 PolarHBondContact O-N 3.45Å; S127-A129 PolarHBondContact O-N 3.15Å; S127-A129 WeakPolarHBondContact OG-CB 3.31Å; S127-A129 PolarHBondContact OG-N 2.96Å
128C87.6Confident89.6Confident26 Ų2662.3 Ų62.318%0.17632%0.316CS..  trans52.120.5-170.4-63.70000114.5L125 T126 W130L125-C128 PolarHBondContact O-N 3.27Å; T126-C128 VanDerWaalsContact C-N 3.31Å; C128-W130 VanDerWaalsContact CA-CZ3 3.5Å; C128-W130 HydrophobicContact CB-CH2 4.31Å; C128-W130 HydrophobicContact CB-CZ3 4.38Å
129A86.9Confident89.2Confident21 Ų2158.4 Ų58.417%0.17430%0.299CS..  trans-10214.2-168.700000113.9S127 N131 S132 V138S127-A129 PolarHBondContact O-N 3.15Å; S127-A129 WeakPolarHBondContact OG-CB 3.31Å; S127-A129 PolarHBondContact OG-N 2.96Å; A129-N131 PolarHBondContact O-N 3.12Å; A129-N131 VanDerWaalsContact O-N 3.13Å; A129-S132 WeakPolarHBondContact O-CB 3.31Å; A129-S132 PolarHBondContact O-N 3.46Å; A129-S132 PolarHBondContact O-OG 3.02Å; A129-V138 HydrophobicContact CB-CB 4.32Å; A129-V138 HydrophobicContact CB-CG2 3.52Å; A129-V138 WeakPolarHBondContact O-CG2 3.41Å
130W85.1Confident88.9Confident3 Ų359 Ų591%0.01130%0.299CS..THydrogen-bonded Turntrans-67-10.6177.258.480.3000114.2L125 C128 K135 A139 V142 L257 F260 V261L125-W130 WeakPolarHBondContact O-CZ3 3.43Å; C128-W130 VanDerWaalsContact CA-CZ3 3.5Å; C128-W130 HydrophobicContact CB-CH2 4.31Å; C128-W130 HydrophobicContact CB-CZ3 4.38Å; W130-K135 WeakPolarHBondContact O-CB 3.35Å; W130-K135 WeakPolarHBondContact O-CD 3.46Å; W130-A139 HydrophobicContact CB-CB 3.85Å; W130-V142 HydrophobicContact CB-CB 4.25Å; W130-V142 HydrophobicContact CB-CG1 3.6Å; W130-V142 HydrophobicContact CD2-CG1 4.3Å; W130-V142 HydrophobicContact CE3-CG1 4.49Å; W130-V142 HydrophobicContact CG-CG1 3.91Å; W130-L257 HydrophobicContact CD2-CD2 4.03Å; W130-L257 HydrophobicContact CE3-CD2 3.91Å; W130-L257 HydrophobicContact CH2-CB 4.17Å; W130-L257 HydrophobicContact CH2-CD2 3.71Å; W130-L257 HydrophobicContact CH2-CG 4.48Å; W130-L257 HydrophobicContact CZ2-CB 3.72Å; W130-L257 HydrophobicContact CZ2-CD1 4.49Å; W130-L257 HydrophobicContact CZ2-CD2 3.82Å; W130-L257 HydrophobicContact CZ2-CG 4.19Å; W130-L257 HydrophobicContact CZ3-CD2 3.71Å; W130-F260 HydrophobicContact CH2-CB 3.81Å; W130-F260 HydrophobicContact CZ3-CB 4.48Å; W130-V261 HydrophobicContact CH2-CG2 4.36Å; W130-V261 HydrophobicContact CZ2-CG2 3.82Å
131N77.3Confident88.8Confident94 Ų9460.4 Ų60.450%0.50331%0.306SS..THydrogen-bonded Turntrans-107.96.3173.1-72.3-18.7000113.2A129A129-N131 PolarHBondContact O-N 3.12Å; A129-N131 VanDerWaalsContact O-N 3.13Å
132S83.6Confident88.4Confident33 Ų3352.9 Ų52.923%0.23128%0.278CS..SBendtrans-76.3167.5179.875.20000112.1A129 N134 K135A129-S132 WeakPolarHBondContact O-CB 3.31Å; A129-S132 PolarHBondContact O-N 3.46Å; A129-S132 PolarHBondContact O-OG 3.02Å; S132-N134 VanDerWaalsContact CB-OD1 3.29Å; S132-N134 WeakPolarHBondContact CB-OD1 3.37Å; S132-N134 PolarHBondContact O-N 3.22Å; S132-N134 PolarHBondContact OG-N 3.1Å; S132-N134 PolarHBondContact OG-OD1 3.48Å; S132-K135 VanDerWaalsContact O-CB 3.24Å; S132-K135 WeakPolarHBondContact O-CB 3.48Å; S132-K135 WeakPolarHBondContact O-CG 3.31Å; S132-K135 PolarHBondContact O-N 3.37Å; S132-K135 VanDerWaalsContact O-N 3.1Å; S132-K135 PolarHBondContact OG-N 2.85Å
133R82.4Confident87.9Confident192 Ų19250.5 Ų50.573%0.72526%0.263SS*.THydrogen-bonded Turntrans-60.3-30173.3-66.6-176.1-178.2165.62.4112.4D385 Q386R133-D385 IonicContact CZ-OD2 3.71Å; R133-D385 IonicContact NH1-OD2 2.77Å; R133-D385 IonicContact NH2-OD2 2.75Å; R133-D385 PolarHBondContact NH2-OD2 3.48Å; R133-Q386 VanDerWaalsContact NH2-CD 3.25Å; R133-Q386 VanDerWaalsContact NH2-NE2 3.13Å
134N85Confident87.6Confident74 Ų7447.9 Ų47.940%0.39626%0.256SS..THydrogen-bonded Turntrans-97.621.1177.662.1-27.5000113.3S132 L136 Q137 V138S132-N134 VanDerWaalsContact CB-OD1 3.29Å; S132-N134 WeakPolarHBondContact CB-OD1 3.37Å; S132-N134 PolarHBondContact O-N 3.22Å; S132-N134 PolarHBondContact OG-N 3.1Å; S132-N134 PolarHBondContact OG-OD1 3.48Å; N134-L136 PolarHBondContact O-N 3.35Å; N134-L136 VanDerWaalsContact O-N 3.08Å; N134-Q137 PolarHBondContact O-N 2.84Å; N134-Q137 PolarHBondContact O-OE1 3.12Å; N134-V138 VanDerWaalsContact ND2-CG1 3.28Å; N134-V138 WeakPolarHBondContact ND2-CG1 3.43Å; N134-V138 WeakPolarHBondContact O-CG2 3.21Å; N134-V138 PolarHBondContact O-N 3.05Å; N134-V138 VanDerWaalsContact O-N 3.08Å
135K84.3Confident87.4Confident43 Ų4347.6 Ų47.619%0.18726%0.255CS..Hα-helixtrans-51.9-34.4-175.662.3179.3178.4178.20114.4W130 S132 Q137 A139 V143 D401W130-K135 WeakPolarHBondContact O-CB 3.35Å; W130-K135 WeakPolarHBondContact O-CD 3.46Å; S132-K135 VanDerWaalsContact O-CB 3.24Å; S132-K135 WeakPolarHBondContact O-CB 3.48Å; S132-K135 WeakPolarHBondContact O-CG 3.31Å; S132-K135 PolarHBondContact O-N 3.37Å; S132-K135 VanDerWaalsContact O-N 3.1Å; S132-K135 PolarHBondContact OG-N 2.85Å; K135-Q137 VanDerWaalsContact C-N 3.3Å; K135-Q137 PolarHBondContact O-N 3.08Å; K135-A139 CarbonylContact O-C 3.28Å; K135-A139 VanDerWaalsContact O-C 3.3Å; K135-A139 WeakPolarHBondContact O-CA 3.31Å; K135-A139 PolarHBondContact O-N 3.48Å; K135-V143 HydrophobicContact CB-CG2 3.86Å; K135-V143 HydrophobicContact CD-CG2 4.05Å; K135-V143 HydrophobicContact CG-CG2 3.99Å; K135-D401 IonicContact NZ-OD2 3.99Å; K135-D401 PolarHBondContact NZ-OD2 3.46Å; K135-D401 VanDerWaalsContact NZ-OD2 3.09Å
136L83.3Confident87.1Confident93 Ų9347.6 Ų47.649%0.48726%0.255SS..Hα-helixtrans-70.1-23.7178-65175.2000113.6N134 P140 V143N134-L136 PolarHBondContact O-N 3.35Å; N134-L136 VanDerWaalsContact O-N 3.08Å; L136-P140 WeakPolarHBondContact O-CB 3.5Å; L136-V143 HydrophobicContact CD2-CB 4.42Å; L136-V143 HydrophobicContact CD2-CG1 3.71Å
137Q87.1Confident86.7Confident149 Ų14951.9 Ų51.970%0.69627%0.266SS*.Hα-helixtrans-91.3-40.4175-63.9110.1-6.200112N134 K135N134-Q137 PolarHBondContact O-N 2.84Å; N134-Q137 PolarHBondContact O-OE1 3.12Å; K135-Q137 VanDerWaalsContact C-N 3.3Å; K135-Q137 PolarHBondContact O-N 3.08Å
138V87.9Confident86.6Confident48 Ų4850.5 Ų50.529%0.29125%0.253SS..Hα-helixtrans-88-26.7-172.6-59.60000114A129 N134A129-V138 HydrophobicContact CB-CB 4.32Å; A129-V138 HydrophobicContact CB-CG2 3.52Å; A129-V138 WeakPolarHBondContact O-CG2 3.41Å; N134-V138 VanDerWaalsContact ND2-CG1 3.28Å; N134-V138 WeakPolarHBondContact ND2-CG1 3.43Å; N134-V138 WeakPolarHBondContact O-CG2 3.21Å; N134-V138 PolarHBondContact O-N 3.05Å; N134-V138 VanDerWaalsContact O-N 3.08Å
139A90.4Very high86.6Confident0 Ų049.3 Ų49.30%025%0.245CC..SBendtrans-142.151.7-177.700000112.5E124 W130 K135 N141 V142 V143E124-A139 HydrophobicContact CB-CB 3.97Å; E124-A139 HydrophobicContact CG-CB 4.46Å; E124-A139 VanDerWaalsContact OE2-CA 3.29Å; E124-A139 WeakPolarHBondContact OE2-CA 3.42Å; W130-A139 HydrophobicContact CB-CB 3.85Å; K135-A139 CarbonylContact O-C 3.28Å; K135-A139 VanDerWaalsContact O-C 3.3Å; K135-A139 WeakPolarHBondContact O-CA 3.31Å; K135-A139 PolarHBondContact O-N 3.48Å; A139-N141 VanDerWaalsContact C-N 3.34Å; A139-N141 PolarHBondContact O-N 2.9Å; A139-V142 HydrophobicContact CB-CB 4.11Å; A139-V142 HydrophobicContact CB-CG2 4.39Å; A139-V142 PolarHBondContact O-N 2.71Å; A139-V143 WeakPolarHBondContact O-CB 3.47Å; A139-V143 VanDerWaalsContact O-CG2 3.27Å; A139-V143 WeakPolarHBondContact O-CG2 3.35Å; A139-V143 PolarHBondContact O-N 3.09Å
140P91.9Very high86.4Confident51 Ų5148.5 Ų48.533%0.33124%0.238SC..Hα-helixtrans-57.8-40.5-172.623.2-34.1000113.9E124 L136 A144E124-P140 WeakPolarHBondContact OE2-CD 3.34Å; E124-P140 VanDerWaalsContact OE2-N 3.16Å; L136-P140 WeakPolarHBondContact O-CB 3.5Å; P140-A144 VanDerWaalsContact O-CB 3.31Å; P140-A144 WeakPolarHBondContact O-CB 3.4Å; P140-A144 PolarHBondContact O-N 3.19Å
141N93.8Very high86.3Confident35 Ų3550 Ų5019%0.18724%0.244CC..Hα-helixtrans-80.9-34.9-175.9-60.1-62.1000111.5A119 I120 E124 A139 V143 A144 F145A119-N141 HydrophobicContact CB-CB 4.29Å; A119-N141 WeakPolarHBondContact CB-OD1 3.48Å; A119-N141 PolarHBondContact O-ND2 3.33Å; I120-N141 HydrophobicContact CB-CB 4.46Å; I120-N141 HydrophobicContact CG1-CB 3.94Å; E124-N141 WeakPolarHBondContact OE1-CB 3.28Å; E124-N141 PolarHBondContact OE1-ND2 3.47Å; E124-N141 WeakPolarHBondContact OE2-CA 3.37Å; E124-N141 WeakPolarHBondContact OE2-CB 3.38Å; E124-N141 PolarHBondContact OE2-N 2.93Å; A139-N141 VanDerWaalsContact C-N 3.34Å; A139-N141 PolarHBondContact O-N 2.9Å; N141-V143 VanDerWaalsContact C-N 3.34Å; N141-A144 PolarHBondContact O-N 2.91Å; N141-F145 WeakPolarHBondContact O-CB 3.42Å; N141-F145 PolarHBondContact O-N 3.3Å
142V90Very high86.8Confident0 Ų045.6 Ų45.60%022%0.221CC..Hα-helixtrans-59.2-49.3169.6176.80000109.4I120 E124 L125 W130 A139 A144 F145 I146 L253 L257I120-V142 HydrophobicContact CG2-CG2 3.78Å; E124-V142 HydrophobicContact CB-CG2 3.78Å; E124-V142 PolarHBondContact OE2-N 3.33Å; E124-V142 VanDerWaalsContact OE2-N 3.14Å; L125-V142 HydrophobicContact CD2-CG2 3.76Å; L125-V142 HydrophobicContact CG-CG2 4.34Å; W130-V142 HydrophobicContact CB-CB 4.25Å; W130-V142 HydrophobicContact CB-CG1 3.6Å; W130-V142 HydrophobicContact CD2-CG1 4.3Å; W130-V142 HydrophobicContact CE3-CG1 4.49Å; W130-V142 HydrophobicContact CG-CG1 3.91Å; A139-V142 HydrophobicContact CB-CB 4.11Å; A139-V142 HydrophobicContact CB-CG2 4.39Å; A139-V142 PolarHBondContact O-N 2.71Å; V142-A144 VanDerWaalsContact C-N 3.34Å; V142-A144 PolarHBondContact O-N 3.06Å; V142-F145 PolarHBondContact O-N 3.38Å; V142-I146 HydrophobicContact CG1-CD1 3.95Å; V142-I146 VanDerWaalsContact O-CG1 3.25Å; V142-I146 WeakPolarHBondContact O-CG1 3.3Å; V142-I146 PolarHBondContact O-N 2.85Å; V142-L253 HydrophobicContact CG1-CD2 4.17Å; V142-L257 HydrophobicContact CG1-CD1 4.28Å; V142-L257 HydrophobicContact CG1-CD2 4.3Å
143V86.6Confident86.9Confident5 Ų544.2 Ų44.23%0.0321%0.212CC..Hα-helixtrans-63.5-38.9177.7176.30000111.5K135 L136 A139 N141 F145 I146 R147K135-V143 HydrophobicContact CB-CG2 3.86Å; K135-V143 HydrophobicContact CD-CG2 4.05Å; K135-V143 HydrophobicContact CG-CG2 3.99Å; L136-V143 HydrophobicContact CD2-CB 4.42Å; L136-V143 HydrophobicContact CD2-CG1 3.71Å; A139-V143 WeakPolarHBondContact O-CB 3.47Å; A139-V143 VanDerWaalsContact O-CG2 3.27Å; A139-V143 WeakPolarHBondContact O-CG2 3.35Å; A139-V143 PolarHBondContact O-N 3.09Å; N141-V143 VanDerWaalsContact C-N 3.34Å; V143-F145 PolarHBondContact O-N 3.44Å; V143-I146 PolarHBondContact O-N 3.14Å; V143-R147 HydrophobicContact CG1-CG 4.42Å; V143-R147 WeakPolarHBondContact O-CB 3.42Å; V143-R147 WeakPolarHBondContact O-CG 3.31Å; V143-R147 PolarHBondContact O-N 2.85Å
144A86.5Confident86.9Confident34 Ų3436.2 Ų36.228%0.28118%0.183SC..Hα-helixtrans-61.8-41.8174.800000112.2I116 P140 N141 V142 R147 R148I116-A144 HydrophobicContact CG2-CB 3.81Å; P140-A144 VanDerWaalsContact O-CB 3.31Å; P140-A144 WeakPolarHBondContact O-CB 3.4Å; P140-A144 PolarHBondContact O-N 3.19Å; N141-A144 PolarHBondContact O-N 2.91Å; V142-A144 VanDerWaalsContact C-N 3.34Å; V142-A144 PolarHBondContact O-N 3.06Å; A144-R147 PolarHBondContact O-N 3.5Å; A144-R148 PolarHBondContact O-N 3.24Å
145F92.1Very high86.9Confident0 Ų032.7 Ų32.70%016%0.164CC..Hα-helixtrans-70.7-34.2179.2-159.1-125.3000112.7D113 I116 F117 I120 N141 V142 V143 R148 F149 H190 I250 L253D113-F145 HydrophobicContact CB-CE2 4.12Å; I116-F145 HydrophobicContact CB-CD2 4.1Å; I116-F145 HydrophobicContact CG2-CB 3.96Å; I116-F145 HydrophobicContact CG2-CD2 3.99Å; I116-F145 HydrophobicContact CG2-CG 4.45Å; F117-F145 HydrophobicContact CB-CD2 4.3Å; F117-F145 HydrophobicContact CB-CE1 4.36Å; F117-F145 HydrophobicContact CB-CE2 3.81Å; F117-F145 HydrophobicContact CB-CZ 3.83Å; F117-F145 HydrophobicContact CD2-CE1 4.05Å; F117-F145 HydrophobicContact CD2-CZ 4.27Å; F117-F145 HydrophobicContact CG-CZ 4.32Å; I120-F145 HydrophobicContact CD1-CB 4.16Å; I120-F145 HydrophobicContact CD1-CD1 4.2Å; I120-F145 HydrophobicContact CD1-CG 4.32Å; N141-F145 WeakPolarHBondContact O-CB 3.42Å; N141-F145 PolarHBondContact O-N 3.3Å; V142-F145 PolarHBondContact O-N 3.38Å; V143-F145 PolarHBondContact O-N 3.44Å; F145-R148 PolarHBondContact O-N 3.42Å; F145-F149 PolarHBondContact O-N 3.49Å; F145-F149 VanDerWaalsContact O-N 3.08Å; F145-H190 AromaticContact CD1-CE1 3.49Å; F145-H190 VanDerWaalsContact CD1-CE1 3.49Å; F145-H190 WeakPolarHBondContact CD1-CE1 3.5Å; F145-H190 AromaticContact CD1-ND1 3.94Å; F145-H190 AromaticContact CD1-NE2 3.77Å; F145-H190 AromaticContact CD2-NE2 3.88Å; F145-H190 HydrophobicContact CE1-CB 4.21Å; F145-H190 AromaticContact CE1-CD2 3.72Å; F145-H190 AromaticContact CE1-CE1 3.31Å; F145-H190 WeakPolarHBondContact CE1-CE1 3.5Å; F145-H190 AromaticContact CE1-CG 3.52Å; F145-H190 AromaticContact CE1-ND1 3.31Å; F145-H190 VanDerWaalsContact CE1-ND1 3.31Å; F145-H190 WeakPolarHBondContact CE1-ND1 3.34Å; F145-H190 AromaticContact CE1-NE2 3.58Å; F145-H190 AromaticContact CE2-CD2 3.55Å; F145-H190 AromaticContact CE2-NE2 3.64Å; F145-H190 AromaticContact CG-NE2 3.94Å; F145-H190 HydrophobicContact CZ-CB 3.82Å; F145-H190 AromaticContact CZ-CD2 3.25Å; F145-H190 WeakPolarHBondContact CZ-CD2 3.47Å; F145-H190 AromaticContact CZ-CE1 3.71Å; F145-H190 AromaticContact CZ-CG 3.32Å; F145-H190 AromaticContact CZ-ND1 3.67Å; F145-H190 AromaticContact CZ-NE2 3.5Å; F145-H190 WeakPolarHBondContact CZ-NE2 3.48Å; F145-H190 PolarHBondContact O-NE2 2.63Å; F145-I250 HydrophobicContact CE2-CG2 4.39Å; F145-I250 HydrophobicContact CZ-CG2 3.65Å; F145-L253 HydrophobicContact CB-CD2 4.4Å; F145-L253 HydrophobicContact CD1-CB 3.73Å; F145-L253 HydrophobicContact CD1-CD2 3.68Å; F145-L253 HydrophobicContact CD1-CG 4.29Å; F145-L253 HydrophobicContact CE1-CB 3.82Å
146I86.9Confident87.1Confident5 Ų530.7 Ų30.73%0.02616%0.155CC..Hα-helixtrans-62.3-49.3169.2-70.3176000110.7V142 V143 R148 F149 N150 L257 L399V142-I146 HydrophobicContact CG1-CD1 3.95Å; V142-I146 VanDerWaalsContact O-CG1 3.25Å; V142-I146 WeakPolarHBondContact O-CG1 3.3Å; V142-I146 PolarHBondContact O-N 2.85Å; V143-I146 PolarHBondContact O-N 3.14Å; I146-R148 VanDerWaalsContact C-N 3.25Å; I146-R148 PolarHBondContact O-N 2.83Å; I146-F149 VanDerWaalsContact O-CB 3.29Å; I146-F149 WeakPolarHBondContact O-CB 3.41Å; I146-F149 PolarHBondContact O-N 3.24Å; I146-F149 VanDerWaalsContact O-N 3.09Å; I146-N150 PolarHBondContact O-N 2.88Å; I146-N150 VanDerWaalsContact O-N 3.07Å; I146-L257 HydrophobicContact CD1-CD1 4.31Å; I146-L399 HydrophobicContact CB-CB 4.48Å; I146-L399 HydrophobicContact CD1-CD2 3.89Å; I146-L399 HydrophobicContact CG1-CB 4.3Å; I146-L399 HydrophobicContact CG1-CD1 4.41Å; I146-L399 HydrophobicContact CG1-CD2 3.49Å; I146-L399 VanDerWaalsContact CG1-CD2 3.49Å; I146-L399 HydrophobicContact CG1-CG 4.21Å; I146-L399 HydrophobicContact CG2-CB 4.04Å; I146-L399 WeakPolarHBondContact CG2-O 3.29Å
147R84.7Confident87.2Confident130 Ų13027 Ų2749%0.49114%0.136SC..Hα-helixtrans-58-40.4176.6-78.2175.3168175.7-5.7111.5V143 A144 N150 H151V143-R147 HydrophobicContact CG1-CG 4.42Å; V143-R147 WeakPolarHBondContact O-CB 3.42Å; V143-R147 WeakPolarHBondContact O-CG 3.31Å; V143-R147 PolarHBondContact O-N 2.85Å; A144-R147 PolarHBondContact O-N 3.5Å; R147-N150 PolarHBondContact O-N 3.05Å; R147-H151 VanDerWaalsContact O-CB 3.3Å; R147-H151 WeakPolarHBondContact O-CB 3.48Å; R147-H151 PolarHBondContact O-N 3.06Å
148R85.3Confident87Confident24 Ų2422.6 Ų22.69%0.09111%0.114CC..Hα-helixtrans-63.9-39.7175.8-173.2161.9173.494.24.6112.7L109 G112 D113 I116 A144 F145 I146 N150 H151 V152L109-R148 PolarHBondContact O-NH2 3.25Å; G112-R148 VanDerWaalsContact C-NE 3.33Å; G112-R148 VanDerWaalsContact C-NH2 3.27Å; G112-R148 VanDerWaalsContact CA-NH2 3.27Å; G112-R148 PolarHBondContact O-NE 2.87Å; D113-R148 WeakPolarHBondContact OD1-CD 3.39Å; D113-R148 IonicContact OD1-CZ 2.7Å; D113-R148 IonicContact OD1-NE 3.62Å; D113-R148 PolarHBondContact OD1-NE 3.48Å; D113-R148 IonicContact OD1-NH2 2.85Å; I116-R148 HydrophobicContact CD1-CB 4.49Å; A144-R148 PolarHBondContact O-N 3.24Å; F145-R148 PolarHBondContact O-N 3.42Å; I146-R148 VanDerWaalsContact C-N 3.25Å; I146-R148 PolarHBondContact O-N 2.83Å; R148-N150 PolarHBondContact O-N 2.8Å; R148-H151 WeakPolarHBondContact O-CB 3.35Å; R148-H151 PolarHBondContact O-N 2.95Å; R148-V152 WeakPolarHBondContact O-CG2 3.5Å; R148-V152 PolarHBondContact O-N 3.19Å
149F88.4Confident87.1Confident1 Ų121.6 Ų21.60%0.00411%0.106CC..Hα-helixtrans-56.8-50.1172.1-175.2-85.3000111.5F145 I146 H151 V152 C153 H190 F193 A194 Y252 H397 L399F145-F149 PolarHBondContact O-N 3.49Å; F145-F149 VanDerWaalsContact O-N 3.08Å; I146-F149 VanDerWaalsContact O-CB 3.29Å; I146-F149 WeakPolarHBondContact O-CB 3.41Å; I146-F149 PolarHBondContact O-N 3.24Å; I146-F149 VanDerWaalsContact O-N 3.09Å; F149-H151 VanDerWaalsContact C-N 3.34Å; F149-H151 PolarHBondContact O-N 3.38Å; F149-V152 PolarHBondContact O-N 2.94Å; F149-C153 WeakPolarHBondContact O-CB 3.41Å; F149-C153 PolarHBondContact O-N 3.13Å; F149-H190 AromaticContact CD2-CE1 3.74Å; F149-H190 AromaticContact CD2-ND1 3.93Å; F149-F193 HydrophobicContact CE2-CB 4.09Å; F149-F193 HydrophobicContact CE2-CD1 4.25Å; F149-F193 HydrophobicContact CE2-CG 4.28Å; F149-F193 HydrophobicContact CZ-CD1 4.37Å; F149-F193 HydrophobicContact CZ-CG 4.38Å; F149-A194 HydrophobicContact CD1-CB 4.39Å; F149-A194 HydrophobicContact CD2-CB 3.68Å; F149-A194 HydrophobicContact CE1-CB 4.42Å; F149-A194 VanDerWaalsContact CE2-CA 3.46Å; F149-A194 HydrophobicContact CE2-CB 3.74Å; F149-A194 VanDerWaalsContact CE2-N 3.31Å; F149-A194 HydrophobicContact CG-CB 4.02Å; F149-A194 HydrophobicContact CZ-CB 4.11Å; F149-A194 WeakPolarHBondContact O-CB 3.44Å; F149-Y252 HydrophobicContact CE2-CD2 4.4Å; F149-Y252 HydrophobicContact CE2-CE2 4.47Å; F149-H397 AromaticContact CD1-CE1 3.9Å; F149-H397 AromaticContact CE1-CE1 3.3Å; F149-H397 WeakPolarHBondContact CE1-CE1 3.38Å; F149-H397 AromaticContact CE1-ND1 3.38Å; F149-H397 WeakPolarHBondContact CE1-ND1 3.49Å; F149-H397 AromaticContact CE2-CE1 3.4Å; F149-H397 VanDerWaalsContact CE2-CE1 3.4Å; F149-H397 WeakPolarHBondContact CE2-CE1 3.42Å; F149-H397 AromaticContact CE2-NE2 3.75Å; F149-H397 AromaticContact CZ-CE1 3.01Å; F149-H397 WeakPolarHBondContact CZ-CE1 3.32Å; F149-H397 AromaticContact CZ-ND1 3.54Å; F149-H397 AromaticContact CZ-NE2 3.4Å; F149-H397 WeakPolarHBondContact CZ-NE2 3.39Å; F149-L399 HydrophobicContact CB-CB 4.16Å; F149-L399 HydrophobicContact CB-CD1 3.88Å; F149-L399 HydrophobicContact CD1-CB 3.83Å; F149-L399 HydrophobicContact CD1-CD1 4.48Å; F149-L399 HydrophobicContact CD2-CD1 3.88Å; F149-L399 HydrophobicContact CE1-CB 4.43Å; F149-L399 HydrophobicContact CG-CB 3.98Å; F149-L399 HydrophobicContact CG-CD1 3.83Å; F149-L399 HydrophobicContact CG-CG 4.49Å
150N82.5Confident87Confident4 Ų421.6 Ų21.62%0.02111%0.106CC..Hα-helixtrans-64.9-40.7-180-66.4-23.1000111.9I146 R147 R148 V152 C153 L154 L399 D400 D401I146-N150 PolarHBondContact O-N 2.88Å; I146-N150 VanDerWaalsContact O-N 3.07Å; R147-N150 PolarHBondContact O-N 3.05Å; R148-N150 PolarHBondContact O-N 2.8Å; N150-V152 VanDerWaalsContact C-N 3.35Å; N150-V152 PolarHBondContact O-N 2.85Å; N150-C153 WeakPolarHBondContact O-CB 3.39Å; N150-C153 PolarHBondContact O-N 3.32Å; N150-L154 WeakPolarHBondContact O-CB 3.48Å; N150-L154 VanDerWaalsContact O-CG 3.25Å; N150-L154 WeakPolarHBondContact O-CG 3.47Å; N150-L154 PolarHBondContact O-N 3.19Å; N150-L399 PolarHBondContact ND2-O 3.36Å; N150-L399 PolarHBondContact OD1-O 3.42Å; N150-D400 WeakPolarHBondContact OD1-CA 3.28Å; N150-D401 PolarHBondContact ND2-N 3.33Å
151H83.1Confident86.8Confident34 Ų3419.1 Ų19.116%0.1579%0.091CC..Hα-helixtrans-55.6-50176.3-172.654.7000111.7R147 R148 F149 C153 L154 W155 L310 I313R147-H151 VanDerWaalsContact O-CB 3.3Å; R147-H151 WeakPolarHBondContact O-CB 3.48Å; R147-H151 PolarHBondContact O-N 3.06Å; R148-H151 WeakPolarHBondContact O-CB 3.35Å; R148-H151 PolarHBondContact O-N 2.95Å; F149-H151 VanDerWaalsContact C-N 3.34Å; F149-H151 PolarHBondContact O-N 3.38Å; H151-C153 PolarHBondContact O-N 3.1Å; H151-L154 PolarHBondContact O-N 2.86Å; H151-W155 VanDerWaalsContact O-CB 3.23Å; H151-W155 WeakPolarHBondContact O-CB 3.39Å; H151-W155 PolarHBondContact O-N 3.34Å; H151-L310 PolarHBondContact NE2-O 3.29Å; H151-I313 PolarHBondContact CE1-O 3.13Å
152V86.8Confident86.6Confident3 Ų321.2 Ų21.22%0.01810%0.102CC..Hα-helixtrans-64.3-40.9177.5174.50000111.6L109 R148 F149 N150 W155 C156 A194 I195L109-V152 HydrophobicContact CD2-CG1 4.42Å; L109-V152 HydrophobicContact CD2-CG2 3.8Å; R148-V152 WeakPolarHBondContact O-CG2 3.5Å; R148-V152 PolarHBondContact O-N 3.19Å; F149-V152 PolarHBondContact O-N 2.94Å; N150-V152 VanDerWaalsContact C-N 3.35Å; N150-V152 PolarHBondContact O-N 2.85Å; V152-W155 HydrophobicContact CG1-CE3 4.35Å; V152-C156 WeakPolarHBondContact O-CB 3.37Å; V152-C156 PolarHBondContact O-N 2.89Å; V152-A194 HydrophobicContact CB-CB 3.84Å; V152-A194 HydrophobicContact CG1-CB 3.72Å; V152-I195 HydrophobicContact CG1-CG1 3.81Å
153C86.4Confident86.5Confident4 Ų421.9 Ų21.93%0.02711%0.106CC..Hα-helixtrans-60.2-47.7176.9-178.90000112F149 N150 H151 Q157 G198F149-C153 WeakPolarHBondContact O-CB 3.41Å; F149-C153 PolarHBondContact O-N 3.13Å; N150-C153 WeakPolarHBondContact O-CB 3.39Å; N150-C153 PolarHBondContact O-N 3.32Å; H151-C153 PolarHBondContact O-N 3.1Å; C153-Q157 VanDerWaalsContact O-CG 3.3Å; C153-Q157 WeakPolarHBondContact O-CG 3.35Å; C153-Q157 PolarHBondContact O-N 3Å; C153-Q157 PolarHBondContact O-NE2 3.24Å; C153-Q157 VanDerWaalsContact O-NE2 3.14Å; C153-Q157 PolarHBondContact SG-NE2 2.68Å; C153-G198 WeakPolarHBondContact SG-CA 3.41Å; C153-G198 PolarHBondContact SG-N 3.33Å; C153-G198 VanDerWaalsContact SG-N 3.4Å
154L81.2Confident86.5Confident23 Ų2330 Ų3012%0.1214%0.144CC..Hα-helixtrans-73.8-39-178.9-65.4175.9000111.8N150 H151 C156 Q157 K158 Y315 L319N150-L154 WeakPolarHBondContact O-CB 3.48Å; N150-L154 VanDerWaalsContact O-CG 3.25Å; N150-L154 WeakPolarHBondContact O-CG 3.47Å; N150-L154 PolarHBondContact O-N 3.19Å; H151-L154 PolarHBondContact O-N 2.86Å; L154-C156 PolarHBondContact O-N 3.49Å; L154-Q157 PolarHBondContact O-N 3.19Å; L154-K158 WeakPolarHBondContact O-CB 3.4Å; L154-K158 PolarHBondContact O-N 2.66Å; L154-Y315 HydrophobicContact CD1-CD2 3.86Å; L154-Y315 HydrophobicContact CD1-CE2 3.44Å; L154-Y315 VanDerWaalsContact CD1-CE2 3.44Å; L154-L319 HydrophobicContact CB-CD1 3.52Å; L154-L319 HydrophobicContact CD2-CD1 3.36Å; L154-L319 HydrophobicContact CG-CD1 3.92Å
155W86.3Confident86.8Confident1 Ų130.5 Ų30.50%0.00415%0.145CC..Hα-helixtrans-55.9-50.4172.1165.354.2000111.2V97 I105 L109 H151 V152 Q157 K158 E159 F176 F306 Y309 L310 I313V97-W155 HydrophobicContact CG1-CZ2 4.02Å; V97-W155 HydrophobicContact CG2-CZ2 4.21Å; I105-W155 HydrophobicContact CG2-CH2 3.78Å; L109-W155 HydrophobicContact CD1-CZ3 4.13Å; L109-W155 HydrophobicContact CD2-CZ3 4.16Å; H151-W155 VanDerWaalsContact O-CB 3.23Å; H151-W155 WeakPolarHBondContact O-CB 3.39Å; H151-W155 PolarHBondContact O-N 3.34Å; V152-W155 HydrophobicContact CG1-CE3 4.35Å; W155-Q157 VanDerWaalsContact C-N 3.31Å; W155-Q157 PolarHBondContact O-N 3.4Å; W155-K158 WeakPolarHBondContact O-CB 3.37Å; W155-K158 PolarHBondContact O-N 2.98Å; W155-K158 VanDerWaalsContact O-N 3.14Å; W155-E159 HydrophobicContact CG-CG 4.47Å; W155-E159 VanDerWaalsContact NE1-CG 3.33Å; W155-E159 WeakPolarHBondContact O-CG 3.35Å; W155-E159 PolarHBondContact O-N 3.46Å; W155-F176 HydrophobicContact CD2-CE1 4.46Å; W155-F176 HydrophobicContact CE3-CE1 4.1Å; W155-F176 AromaticContact CH2-CE1 3.74Å; W155-F176 HydrophobicContact CH2-CE1 3.74Å; W155-F176 HydrophobicContact CH2-CZ 4.27Å; W155-F176 HydrophobicContact CZ2-CE1 4.11Å; W155-F176 HydrophobicContact CZ2-CZ 4.17Å; W155-F176 AromaticContact CZ3-CE1 3.73Å; W155-F176 HydrophobicContact CZ3-CE1 3.73Å; W155-F176 HydrophobicContact CZ3-CZ 4.48Å; W155-F306 HydrophobicContact CH2-CZ 4.44Å; W155-F306 HydrophobicContact CZ2-CZ 4.36Å; W155-Y309 HydrophobicContact CZ2-CE1 4.38Å; W155-Y309 AromaticContact NE1-CE1 3.71Å; W155-Y309 AromaticContact NE1-CZ 3.8Å; W155-Y309 PolarHBondContact NE1-OH 3.49Å; W155-L310 HydrophobicContact CD2-CD2 4.24Å; W155-L310 HydrophobicContact CE3-CD2 4.4Å; W155-L310 HydrophobicContact CH2-CD2 4.33Å; W155-L310 HydrophobicContact CZ2-CD2 4.17Å; W155-L310 HydrophobicContact CZ3-CD2 4.44Å; W155-I313 HydrophobicContact CB-CD1 4.22Å; W155-I313 HydrophobicContact CD2-CD1 4.41Å; W155-I313 HydrophobicContact CG-CD1 3.68Å
156C88Confident86.9Confident0 Ų033.1 Ų33.10%016%0.159CC..Hα-helixtrans-57.1-44.5177.5177.20000112V152 L154 V160 F176 L199V152-C156 WeakPolarHBondContact O-CB 3.37Å; V152-C156 PolarHBondContact O-N 2.89Å; L154-C156 PolarHBondContact O-N 3.49Å; C156-V160 WeakPolarHBondContact O-CG2 3.23Å; C156-V160 PolarHBondContact O-N 3.36Å; C156-F176 HydrophobicContact CB-CD1 4.01Å; C156-F176 HydrophobicContact CB-CE1 3.81Å; C156-F176 HydrophobicContact CB-CG 4.45Å; C156-F176 HydrophobicContact CB-CZ 4.1Å; C156-F176 WeakPolarHBondContact SG-CD1 3.26Å; C156-F176 WeakPolarHBondContact SG-CG 3.37Å; C156-L199 WeakPolarHBondContact SG-CD2 3.4Å
157Q85.3Confident87.3Confident16 Ų1639.7 Ų39.78%0.07519%0.187CC..Hα-helixtrans-62.2-45.5176.3-69.4173.473.800112.1C153 L154 W155 V160 L161 G198 S201 I204 L319C153-Q157 VanDerWaalsContact O-CG 3.3Å; C153-Q157 WeakPolarHBondContact O-CG 3.35Å; C153-Q157 PolarHBondContact O-N 3Å; C153-Q157 PolarHBondContact O-NE2 3.24Å; C153-Q157 VanDerWaalsContact O-NE2 3.14Å; C153-Q157 PolarHBondContact SG-NE2 2.68Å; L154-Q157 PolarHBondContact O-N 3.19Å; W155-Q157 VanDerWaalsContact C-N 3.31Å; W155-Q157 PolarHBondContact O-N 3.4Å; Q157-V160 PolarHBondContact O-N 3.34Å; Q157-L161 WeakPolarHBondContact O-CB 3.36Å; Q157-L161 VanDerWaalsContact O-CG 3.23Å; Q157-L161 WeakPolarHBondContact O-CG 2.9Å; Q157-L161 PolarHBondContact O-N 3.04Å; Q157-G198 VanDerWaalsContact CG-O 3.27Å; Q157-G198 WeakPolarHBondContact CG-O 2.98Å; Q157-S201 VanDerWaalsContact CD-OG 3.23Å; Q157-S201 PolarHBondContact OE1-OG 3.24Å; Q157-I204 HydrophobicContact CB-CD1 4.36Å; Q157-I204 HydrophobicContact CB-CG1 4.34Å; Q157-I204 HydrophobicContact CG-CD1 4.48Å; Q157-I204 HydrophobicContact CG-CG1 3.92Å; Q157-L319 HydrophobicContact CB-CD1 4.42Å; Q157-L319 HydrophobicContact CB-CD2 3.93Å
158K83.6Confident87.8Confident57 Ų5738.8 Ų38.825%0.24819%0.187CC..Hα-helixtrans-59.7-48.1-180-179-179.4177.6-177.80111.4L154 W155 V160 L161 N162 L319L154-K158 WeakPolarHBondContact O-CB 3.4Å; L154-K158 PolarHBondContact O-N 2.66Å; W155-K158 WeakPolarHBondContact O-CB 3.37Å; W155-K158 PolarHBondContact O-N 2.98Å; W155-K158 VanDerWaalsContact O-N 3.14Å; K158-V160 PolarHBondContact O-N 2.92Å; K158-L161 PolarHBondContact O-N 2.81Å; K158-N162 VanDerWaalsContact O-CB 3.31Å; K158-N162 WeakPolarHBondContact O-CB 3.35Å; K158-N162 PolarHBondContact O-N 3Å; K158-L319 HydrophobicContact CB-CD2 4.14Å
159E89.1Confident88.3Confident26 Ų2638.6 Ų38.612%0.12119%0.186CC..Hα-helixtrans-63-40-179.7-68.5-56.4134.500112.4V97 W155 C163 M172 F176 Y309V97-E159 HydrophobicContact CG2-CG 4.02Å; V97-E159 WeakPolarHBondContact CG2-OE2 3.48Å; W155-E159 HydrophobicContact CG-CG 4.47Å; W155-E159 VanDerWaalsContact NE1-CG 3.33Å; W155-E159 WeakPolarHBondContact O-CG 3.35Å; W155-E159 PolarHBondContact O-N 3.46Å; E159-C163 PolarHBondContact O-SG 3.36Å; E159-M172 HydrophobicContact CB-CE 4.24Å; E159-M172 HydrophobicContact CB-CG 4.34Å; E159-M172 HydrophobicContact CB-SD 4.16Å; E159-F176 HydrophobicContact CB-CE2 3.63Å; E159-F176 HydrophobicContact CB-CZ 3.79Å; E159-F176 HydrophobicContact CG-CE2 4.41Å; E159-F176 HydrophobicContact CG-CZ 4.07Å; E159-Y309 VanDerWaalsContact CD-OH 3.27Å; E159-Y309 PolarHBondContact OE1-OH 3.14Å
160V89.3Confident88.8Confident0 Ų039.4 Ų39.40%019%0.192CC..Hα-helixtrans-69.5-41.7176.1177.10000111.5C156 Q157 K158 C163 R169 M172 F176 L199 I204C156-V160 WeakPolarHBondContact O-CG2 3.23Å; C156-V160 PolarHBondContact O-N 3.36Å; Q157-V160 PolarHBondContact O-N 3.34Å; K158-V160 PolarHBondContact O-N 2.92Å; V160-C163 WeakPolarHBondContact O-CB 3.47Å; V160-C163 PolarHBondContact O-N 3.34Å; V160-R169 HydrophobicContact CG1-CG 3.94Å; V160-R169 WeakPolarHBondContact O-CD 3.23Å; V160-R169 WeakPolarHBondContact O-CG 3.47Å; V160-M172 HydrophobicContact CG2-CG 3.88Å; V160-F176 HydrophobicContact CG2-CD2 3.79Å; V160-F176 HydrophobicContact CG2-CE2 4.06Å; V160-L199 HydrophobicContact CG2-CD2 4.31Å; V160-I204 HydrophobicContact CB-CD1 3.85Å; V160-I204 HydrophobicContact CG1-CD1 3.81Å; V160-I204 HydrophobicContact CG1-CG2 4.23Å
161L87.7Confident89.5Confident0 Ų043 Ų430%021%0.208CC..Hα-helixtrans-69.9-38.7-179.4-70.7169.7000111.9Q157 K158 C163 A203 I204 L207 L319 L326Q157-L161 WeakPolarHBondContact O-CB 3.36Å; Q157-L161 VanDerWaalsContact O-CG 3.23Å; Q157-L161 WeakPolarHBondContact O-CG 2.9Å; Q157-L161 PolarHBondContact O-N 3.04Å; K158-L161 PolarHBondContact O-N 2.81Å; L161-C163 PolarHBondContact O-N 2.76Å; L161-A203 HydrophobicContact CD1-CB 4.15Å; L161-I204 HydrophobicContact CD1-CD1 4.23Å; L161-I204 HydrophobicContact CD2-CD1 3.93Å; L161-I204 HydrophobicContact CG-CD1 3.67Å; L161-L207 HydrophobicContact CD2-CD1 4.15Å; L161-L319 HydrophobicContact CD1-CD2 3.75Å; L161-L326 HydrophobicContact CB-CD1 3.67Å; L161-L326 HydrophobicContact CD2-CD1 3.7Å; L161-L326 HydrophobicContact CG-CD1 4.27Å; L161-L326 WeakPolarHBondContact O-CD1 3.19Å; L161-L326 WeakPolarHBondContact O-CD2 3.49Å
162N87.9Confident90.2Very high78 Ų7841.6 Ų41.642%0.41720%0.202SC..THydrogen-bonded Turntrans-66.8-9.6179.1-73.1-9.3000113.7K158 E164K158-N162 VanDerWaalsContact O-CB 3.31Å; K158-N162 WeakPolarHBondContact O-CB 3.35Å; K158-N162 PolarHBondContact O-N 3Å; N162-E164 PolarHBondContact O-N 3.45Å
163C89.6Confident90.7Very high15 Ų1541.5 Ų41.510%0.10120%0.201CC..  trans-76.1103.9172.8-67.10000111.5E159 V160 L161 R169E159-C163 PolarHBondContact O-SG 3.36Å; V160-C163 WeakPolarHBondContact O-CB 3.47Å; V160-C163 PolarHBondContact O-N 3.34Å; L161-C163 PolarHBondContact O-N 2.76Å; C163-R169 VanDerWaalsContact CB-CA 3.45Å; C163-R169 HydrophobicContact CB-CB 3.55Å; C163-R169 HydrophobicContact CB-CG 4.03Å; C163-R169 PolarHBondContact O-NH1 3.21Å
164E86.7Confident91.3Very high174 Ų17441.8 Ų41.881%0.81320%0.204SC*.  trans-64.6-50179.4-62.7-178.7176.800112.5N162 R169N162-E164 PolarHBondContact O-N 3.45Å; E164-R169 PolarHBondContact O-NH1 3.06Å
165S91.5Very high92.2Very high45 Ų4541.8 Ų41.832%0.31520%0.203SC..SBendtrans-75.7140.6-178.288.50000111.9K167 F168 R169S165-K167 PolarHBondContact O-N 3.06Å; S165-F168 PolarHBondContact O-N 3.28Å; S165-F168 WeakPolarHBondContact OG-CB 3.4Å; S165-F168 WeakPolarHBondContact OG-CD2 3.45Å; S165-F168 WeakPolarHBondContact OG-CG 3.37Å; S165-F168 PolarHBondContact OG-N 2.89Å; S165-R169 VanDerWaalsContact O-CB 3.24Å; S165-R169 WeakPolarHBondContact O-CB 3.4Å; S165-R169 PolarHBondContact O-N 3.27Å
166L94.4Very high92.7Very high56 Ų5641.7 Ų41.729%0.29320%0.203SC..Hα-helixtrans-57.8-36.2174.2178.362.4000112T170 R209L166-T170 WeakPolarHBondContact O-CB 3.49Å; L166-T170 PolarHBondContact O-N 3.05Å; L166-T170 PolarHBondContact O-OG1 3.5Å; L166-R209 HydrophobicContact CD1-CB 4.05Å; L166-R209 HydrophobicContact CD2-CB 4.41Å
167K95.4Very high93.3Very high142 Ų14241.7 Ų41.762%0.61720%0.203SC*.Hα-helixtrans-62.1-59.5178.6-177.6-176.3173.5-174.20110.9S165 R169 T170 E171S165-K167 PolarHBondContact O-N 3.06Å; K167-R169 VanDerWaalsContact C-N 3.29Å; K167-R169 PolarHBondContact O-N 2.85Å; K167-T170 PolarHBondContact O-N 3.26Å; K167-T170 VanDerWaalsContact O-N 3.15Å; K167-E171 WeakPolarHBondContact CE-OE1 3.49Å; K167-E171 WeakPolarHBondContact O-CG 3.25Å; K167-E171 PolarHBondContact O-N 2.82Å
168F94.9Very high93.9Very high112 Ų11245.3 Ų45.349%0.49122%0.218SC..Hα-helixtrans-62.1-36.5179.8-68.9-52.4000112.2S165 T170 E171 M172S165-F168 PolarHBondContact O-N 3.28Å; S165-F168 WeakPolarHBondContact OG-CB 3.4Å; S165-F168 WeakPolarHBondContact OG-CD2 3.45Å; S165-F168 WeakPolarHBondContact OG-CG 3.37Å; S165-F168 PolarHBondContact OG-N 2.89Å; F168-T170 VanDerWaalsContact C-N 3.34Å; F168-T170 PolarHBondContact O-N 3.38Å; F168-E171 PolarHBondContact O-N 3.43Å; F168-M172 WeakPolarHBondContact O-CB 3.5Å; F168-M172 PolarHBondContact O-N 3.27Å
169R96.6Very high94.6Very high19 Ų1942.6 Ų42.67%0.07221%0.206CC..Hα-helixtrans-64.2-38.4176.4-170.1163.159.1-117.78.2112.8V160 C163 E164 S165 K167 L173 T210V160-R169 HydrophobicContact CG1-CG 3.94Å; V160-R169 WeakPolarHBondContact O-CD 3.23Å; V160-R169 WeakPolarHBondContact O-CG 3.47Å; C163-R169 VanDerWaalsContact CB-CA 3.45Å; C163-R169 HydrophobicContact CB-CB 3.55Å; C163-R169 HydrophobicContact CB-CG 4.03Å; C163-R169 PolarHBondContact O-NH1 3.21Å; E164-R169 PolarHBondContact O-NH1 3.06Å; S165-R169 VanDerWaalsContact O-CB 3.24Å; S165-R169 WeakPolarHBondContact O-CB 3.4Å; S165-R169 PolarHBondContact O-N 3.27Å; K167-R169 VanDerWaalsContact C-N 3.29Å; K167-R169 PolarHBondContact O-N 2.85Å; R169-L173 WeakPolarHBondContact O-CB 3.34Å; R169-L173 PolarHBondContact O-N 3.43Å; R169-T210 HydrophobicContact CB-CG2 4.37Å; R169-T210 HydrophobicContact CG-CG2 3.82Å; R169-T210 PolarHBondContact NE-OG1 3.45Å; R169-T210 VanDerWaalsContact NE-OG1 3.08Å
170T98.2Very high95.1Very high19 Ų1941.3 Ų41.312%0.11720%0.2CC..Hα-helixtrans-69.2-39.6175.1-55.30000111.2L166 K167 F168 L173 S174 A213 L214L166-T170 WeakPolarHBondContact O-CB 3.49Å; L166-T170 PolarHBondContact O-N 3.05Å; L166-T170 PolarHBondContact O-OG1 3.5Å; K167-T170 PolarHBondContact O-N 3.26Å; K167-T170 VanDerWaalsContact O-N 3.15Å; F168-T170 VanDerWaalsContact C-N 3.34Å; F168-T170 PolarHBondContact O-N 3.38Å; T170-L173 PolarHBondContact O-N 3.08Å; T170-S174 WeakPolarHBondContact O-CB 3.32Å; T170-S174 PolarHBondContact O-N 2.89Å; T170-A213 HydrophobicContact CG2-CB 3.86Å; T170-L214 HydrophobicContact CG2-CD2 3.97Å; T170-L214 HydrophobicContact CG2-CG 4.28Å
171E97.9Very high95.6Very high79 Ų7945.9 Ų45.937%0.36922%0.22SC..Hα-helixtrans-62.2-45173.5-71.6172.6-168.400111.4L98 K167 F168 S174 H175L98-E171 HydrophobicContact CD1-CB 4.42Å; L98-E171 HydrophobicContact CD2-CB 4.37Å; K167-E171 WeakPolarHBondContact CE-OE1 3.49Å; K167-E171 WeakPolarHBondContact O-CG 3.25Å; K167-E171 PolarHBondContact O-N 2.82Å; F168-E171 PolarHBondContact O-N 3.43Å; E171-S174 WeakPolarHBondContact O-CB 3.28Å; E171-S174 PolarHBondContact O-N 3.33Å; E171-H175 WeakPolarHBondContact O-CB 3.41Å; E171-H175 PolarHBondContact O-N 3.15Å
172M97.7Very high96.1Very high5 Ų548.1 Ų48.13%0.02523%0.23CC..Hα-helixtrans-61.8-45.3176.4-170.864.58200111.7V97 L98 E159 V160 F168 S174 H175 F176V97-M172 HydrophobicContact CB-CE 4.23Å; V97-M172 HydrophobicContact CB-SD 4.34Å; V97-M172 HydrophobicContact CG1-SD 4.36Å; L98-M172 HydrophobicContact CD1-CE 4.17Å; L98-M172 HydrophobicContact CD2-CB 4.37Å; L98-M172 HydrophobicContact CD2-CE 4.34Å; L98-M172 HydrophobicContact CD2-SD 4Å; L98-M172 HydrophobicContact CG-CE 3.73Å; L98-M172 HydrophobicContact CG-SD 4.05Å; E159-M172 HydrophobicContact CB-CE 4.24Å; E159-M172 HydrophobicContact CB-CG 4.34Å; E159-M172 HydrophobicContact CB-SD 4.16Å; V160-M172 HydrophobicContact CG2-CG 3.88Å; F168-M172 WeakPolarHBondContact O-CB 3.5Å; F168-M172 PolarHBondContact O-N 3.27Å; M172-S174 PolarHBondContact O-N 3.25Å; M172-H175 WeakPolarHBondContact O-CB 3.28Å; M172-H175 PolarHBondContact O-N 3.28Å; M172-F176 HydrophobicContact CG-CD2 4Å; M172-F176 HydrophobicContact CG-CE2 3.78Å; M172-F176 WeakPolarHBondContact O-CD2 3.45Å; M172-F176 PolarHBondContact O-N 3.14Å; M172-F176 HydrophobicContact SD-CD2 4.19Å; M172-F176 HydrophobicContact SD-CE2 3.66Å; M172-F176 HydrophobicContact SD-CZ 4.49Å
173L98Very high96.6Very high0 Ų044.4 Ų44.40%021%0.21CC..Hα-helixtrans-60.7-44.5175.7-174.661.2000111.8R169 T170 H175 F176 I177 L199 I204 T210 W211 L214R169-L173 WeakPolarHBondContact O-CB 3.34Å; R169-L173 PolarHBondContact O-N 3.43Å; T170-L173 PolarHBondContact O-N 3.08Å; L173-H175 VanDerWaalsContact C-N 3.32Å; L173-H175 PolarHBondContact O-N 2.95Å; L173-F176 PolarHBondContact O-N 3.4Å; L173-I177 HydrophobicContact CG-CD1 4.44Å; L173-I177 WeakPolarHBondContact O-CD1 3.49Å; L173-I177 VanDerWaalsContact O-CG1 3.31Å; L173-I177 WeakPolarHBondContact O-CG1 3.4Å; L173-I177 PolarHBondContact O-N 2.96Å; L173-I177 VanDerWaalsContact O-N 3.17Å; L173-L199 HydrophobicContact CD1-CD1 4.02Å; L173-L199 HydrophobicContact CD1-CD2 3.42Å; L173-L199 VanDerWaalsContact CD1-CD2 3.42Å; L173-L199 HydrophobicContact CD1-CG 4.21Å; L173-I204 HydrophobicContact CD1-CG2 4.1Å; L173-T210 HydrophobicContact CB-CG2 4.34Å; L173-T210 HydrophobicContact CD2-CG2 3.67Å; L173-W211 HydrophobicContact CD1-CH2 3.96Å; L173-W211 HydrophobicContact CD1-CZ2 4.08Å; L173-W211 HydrophobicContact CD1-CZ3 4.48Å; L173-W211 HydrophobicContact CD2-CD2 3.97Å; L173-W211 HydrophobicContact CD2-CE3 4.03Å; L173-W211 HydrophobicContact CD2-CH2 4.28Å; L173-W211 HydrophobicContact CD2-CZ2 4.23Å; L173-W211 HydrophobicContact CD2-CZ3 4.17Å; L173-L214 HydrophobicContact CB-CD2 4.22Å; L173-L214 HydrophobicContact CD2-CD1 3.51Å; L173-L214 HydrophobicContact CD2-CD2 4.16Å; L173-L214 HydrophobicContact CD2-CG 3.83Å; L173-L214 HydrophobicContact CG-CD1 3.91Å; L173-L214 HydrophobicContact CG-CD2 4.09Å; L173-L214 HydrophobicContact CG-CG 4.29Å
174S98.6Very high97Very high11 Ų1144.8 Ų44.88%0.07721%0.211CC..Hα-helixtrans-61.1-40.5173.7175.70000111.9T170 E171 M172 I177 K178 D218T170-S174 WeakPolarHBondContact O-CB 3.32Å; T170-S174 PolarHBondContact O-N 2.89Å; E171-S174 WeakPolarHBondContact O-CB 3.28Å; E171-S174 PolarHBondContact O-N 3.33Å; M172-S174 PolarHBondContact O-N 3.25Å; S174-I177 PolarHBondContact O-N 3.05Å; S174-K178 WeakPolarHBondContact O-CG 3.27Å; S174-K178 PolarHBondContact O-N 3.14Å; S174-K178 VanDerWaalsContact O-N 3.08Å; S174-K178 WeakPolarHBondContact OG-CE 3.49Å; S174-K178 PolarHBondContact OG-NZ 2.98Å; S174-D218 WeakPolarHBondContact CB-OD2 3.48Å; S174-D218 VanDerWaalsContact OG-CG 3.28Å; S174-D218 PolarHBondContact OG-OD2 3.07Å
175H98.6Very high97.6Very high22 Ų2241 Ų4110%0.10219%0.193CC..Hα-helixtrans-62.6-47.8179.8-164.878.2000111.4L98 V100 I105 E171 M172 L173 I177 K178 I179L98-H175 HydrophobicContact CD2-CB 3.81Å; V100-H175 PolarHBondContact O-CE1 3.45Å; V100-H175 VanDerWaalsContact O-CE1 3.22Å; I105-H175 VanDerWaalsContact CD1-NE2 3.35Å; I105-H175 WeakPolarHBondContact CD1-NE2 3.19Å; E171-H175 WeakPolarHBondContact O-CB 3.41Å; E171-H175 PolarHBondContact O-N 3.15Å; M172-H175 WeakPolarHBondContact O-CB 3.28Å; M172-H175 PolarHBondContact O-N 3.28Å; L173-H175 VanDerWaalsContact C-N 3.32Å; L173-H175 PolarHBondContact O-N 2.95Å; H175-I177 PolarHBondContact O-N 3.38Å; H175-K178 WeakPolarHBondContact O-CB 3.27Å; H175-K178 PolarHBondContact O-N 2.71Å; H175-K178 VanDerWaalsContact O-N 3.12Å; H175-I179 VanDerWaalsContact CD2-CD1 3.41Å; H175-I179 WeakPolarHBondContact CD2-CD1 3.38Å; H175-I179 WeakPolarHBondContact O-CG1 3.44Å; H175-I179 PolarHBondContact O-N 2.72Å
176F98.7Very high97.9Very high0 Ų040.3 Ų40.30%019%0.185CC..Hα-helixtrans-62.6-37.1174.8-80.3-67.4000113.9W155 C156 E159 V160 M172 L173 K178 I179 A180 I195 L199W155-F176 HydrophobicContact CD2-CE1 4.46Å; W155-F176 HydrophobicContact CE3-CE1 4.1Å; W155-F176 AromaticContact CH2-CE1 3.74Å; W155-F176 HydrophobicContact CH2-CE1 3.74Å; W155-F176 HydrophobicContact CH2-CZ 4.27Å; W155-F176 HydrophobicContact CZ2-CE1 4.11Å; W155-F176 HydrophobicContact CZ2-CZ 4.17Å; W155-F176 AromaticContact CZ3-CE1 3.73Å; W155-F176 HydrophobicContact CZ3-CE1 3.73Å; W155-F176 HydrophobicContact CZ3-CZ 4.48Å; C156-F176 HydrophobicContact CB-CD1 4.01Å; C156-F176 HydrophobicContact CB-CE1 3.81Å; C156-F176 HydrophobicContact CB-CG 4.45Å; C156-F176 HydrophobicContact CB-CZ 4.1Å; C156-F176 WeakPolarHBondContact SG-CD1 3.26Å; C156-F176 WeakPolarHBondContact SG-CG 3.37Å; E159-F176 HydrophobicContact CB-CE2 3.63Å; E159-F176 HydrophobicContact CB-CZ 3.79Å; E159-F176 HydrophobicContact CG-CE2 4.41Å; E159-F176 HydrophobicContact CG-CZ 4.07Å; V160-F176 HydrophobicContact CG2-CD2 3.79Å; V160-F176 HydrophobicContact CG2-CE2 4.06Å; M172-F176 HydrophobicContact CG-CD2 4Å; M172-F176 HydrophobicContact CG-CE2 3.78Å; M172-F176 WeakPolarHBondContact O-CD2 3.45Å; M172-F176 PolarHBondContact O-N 3.14Å; M172-F176 HydrophobicContact SD-CD2 4.19Å; M172-F176 HydrophobicContact SD-CE2 3.66Å; M172-F176 HydrophobicContact SD-CZ 4.49Å; L173-F176 PolarHBondContact O-N 3.4Å; F176-K178 VanDerWaalsContact C-N 3.28Å; F176-K178 PolarHBondContact O-N 3.17Å; F176-I179 HydrophobicContact CD1-CD1 3.93Å; F176-I179 HydrophobicContact CE1-CD1 4.27Å; F176-I179 PolarHBondContact O-N 2.91Å; F176-A180 PolarHBondContact O-N 3.11Å; F176-I195 HydrophobicContact CB-CG2 3.93Å; F176-I195 HydrophobicContact CD1-CD1 4.25Å; F176-I195 HydrophobicContact CD1-CG1 4.48Å; F176-I195 HydrophobicContact CD1-CG2 4.11Å; F176-I195 HydrophobicContact CG-CG2 4.43Å; F176-L199 HydrophobicContact CB-CD1 4.17Å; F176-L199 HydrophobicContact CB-CD2 4.38Å
177I98.9Very high98.1Very high0 Ų039.3 Ų39.30%018%0.181CC..Hα-helixtrans-60.5-41.3173.7-68.1163.6000110.6L173 S174 H175 A180 K181 L199 L214 D218 T221 F222 L225L173-I177 HydrophobicContact CG-CD1 4.44Å; L173-I177 WeakPolarHBondContact O-CD1 3.49Å; L173-I177 VanDerWaalsContact O-CG1 3.31Å; L173-I177 WeakPolarHBondContact O-CG1 3.4Å; L173-I177 PolarHBondContact O-N 2.96Å; L173-I177 VanDerWaalsContact O-N 3.17Å; S174-I177 PolarHBondContact O-N 3.05Å; H175-I177 PolarHBondContact O-N 3.38Å; I177-A180 PolarHBondContact O-N 2.7Å; I177-K181 PolarHBondContact O-N 2.93Å; I177-L199 HydrophobicContact CG1-CD1 3.83Å; I177-L214 HydrophobicContact CD1-CD1 3.87Å; I177-L214 HydrophobicContact CD1-CD2 4.38Å; I177-D218 HydrophobicContact CD1-CB 4.33Å; I177-T221 HydrophobicContact CG2-CG2 3.8Å; I177-F222 HydrophobicContact CD1-CB 3.9Å; I177-F222 HydrophobicContact CD1-CD2 4.41Å; I177-F222 HydrophobicContact CD1-CG 4.28Å; I177-F222 HydrophobicContact CG1-CB 4.06Å; I177-F222 HydrophobicContact CG1-CD2 3.94Å; I177-F222 HydrophobicContact CG1-CG 4.27Å; I177-F222 HydrophobicContact CG2-CB 4.19Å; I177-L225 HydrophobicContact CG2-CD1 4.5Å
178K98.9Very high98.3Very high91 Ų9132.6 Ų32.640%0.39615%0.151SC..Hα-helixtrans-69.1-39177.4-68.5164-179.1156.30111.8V102 S174 H175 F176 K181 K182 D218V102-K178 VanDerWaalsContact CG1-C 3.43Å; V102-K178 HydrophobicContact CG1-CB 3.96Å; V102-K178 WeakPolarHBondContact CG1-O 3.28Å; V102-K178 HydrophobicContact CG2-CB 3.83Å; S174-K178 WeakPolarHBondContact O-CG 3.27Å; S174-K178 PolarHBondContact O-N 3.14Å; S174-K178 VanDerWaalsContact O-N 3.08Å; S174-K178 WeakPolarHBondContact OG-CE 3.49Å; S174-K178 PolarHBondContact OG-NZ 2.98Å; H175-K178 WeakPolarHBondContact O-CB 3.27Å; H175-K178 PolarHBondContact O-N 2.71Å; H175-K178 VanDerWaalsContact O-N 3.12Å; F176-K178 VanDerWaalsContact C-N 3.28Å; F176-K178 PolarHBondContact O-N 3.17Å; K178-K181 WeakPolarHBondContact O-CB 3.19Å; K178-K181 PolarHBondContact O-N 3.06Å; K178-K182 WeakPolarHBondContact O-CB 3.26Å; K178-K182 PolarHBondContact O-N 3.31Å; K178-D218 WeakPolarHBondContact CE-OD1 3.4Å
179I98.8Very high98.5Very high0 Ų027.2 Ų27.20%013%0.128CC..Hα-helixtrans-60.5-48.3173.2-63.9159.1000110.3V102 I105 L109 H175 F176 K181 K182 L183 I195V102-I179 HydrophobicContact CB-CG1 4.47Å; V102-I179 HydrophobicContact CG1-CB 4.46Å; V102-I179 HydrophobicContact CG1-CG1 4.04Å; V102-I179 HydrophobicContact CG2-CG1 4.42Å; I105-I179 HydrophobicContact CB-CD1 4.26Å; I105-I179 HydrophobicContact CB-CG1 4.32Å; I105-I179 HydrophobicContact CD1-CD1 3.74Å; I105-I179 HydrophobicContact CD1-CG1 4.44Å; I105-I179 HydrophobicContact CG2-CD1 3.83Å; I105-I179 HydrophobicContact CG2-CG1 4.16Å; I105-I179 HydrophobicContact CG2-CG2 3.9Å; L109-I179 HydrophobicContact CD1-CG2 4.11Å; H175-I179 VanDerWaalsContact CD2-CD1 3.41Å; H175-I179 WeakPolarHBondContact CD2-CD1 3.38Å; H175-I179 WeakPolarHBondContact O-CG1 3.44Å; H175-I179 PolarHBondContact O-N 2.72Å; F176-I179 HydrophobicContact CD1-CD1 3.93Å; F176-I179 HydrophobicContact CE1-CD1 4.27Å; F176-I179 PolarHBondContact O-N 2.91Å; I179-K181 VanDerWaalsContact C-N 3.31Å; I179-K181 PolarHBondContact O-N 3.44Å; I179-K182 PolarHBondContact O-N 3.01Å; I179-K182 VanDerWaalsContact O-N 3.08Å; I179-L183 HydrophobicContact CG2-CD1 3.86Å; I179-L183 HydrophobicContact CG2-CG 4.31Å; I179-L183 WeakPolarHBondContact O-CG 3.21Å; I179-L183 PolarHBondContact O-N 3.43Å; I179-I195 HydrophobicContact CB-CD1 4.08Å; I179-I195 HydrophobicContact CG2-CD1 3.46Å; I179-I195 VanDerWaalsContact CG2-CD1 3.46Å
180A98.8Very high98.5Very high0 Ų026.3 Ų26.30%012%0.124CC..Hα-helixtrans-58.5-4217700000112F176 I177 L183 I184 I195 V196 L225F176-A180 PolarHBondContact O-N 3.11Å; I177-A180 PolarHBondContact O-N 2.7Å; A180-L183 PolarHBondContact O-N 2.86Å; A180-I184 WeakPolarHBondContact O-CG1 2.93Å; A180-I184 PolarHBondContact O-N 2.53Å; A180-I184 VanDerWaalsContact O-N 3.1Å; A180-I195 HydrophobicContact CB-CB 4.27Å; A180-I195 HydrophobicContact CB-CG2 4Å; A180-V196 HydrophobicContact CB-CG2 4.26Å; A180-L225 HydrophobicContact CB-CD1 3.77Å
181K98.8Very high98.5Very high95 Ų9525.4 Ų25.441%0.41312%0.119SC..Hα-helixtrans-61.1-44.5173.2-175.8-178.1175.5-740111.9I177 K178 I179 L183 I184 E185 T221I177-K181 PolarHBondContact O-N 2.93Å; K178-K181 WeakPolarHBondContact O-CB 3.19Å; K178-K181 PolarHBondContact O-N 3.06Å; I179-K181 VanDerWaalsContact C-N 3.31Å; I179-K181 PolarHBondContact O-N 3.44Å; K181-L183 VanDerWaalsContact C-N 3.32Å; K181-L183 PolarHBondContact O-N 3.41Å; K181-I184 WeakPolarHBondContact O-CB 3.3Å; K181-I184 PolarHBondContact O-N 3.39Å; K181-E185 IonicContact NZ-OE1 3.63Å; K181-E185 PolarHBondContact NZ-OE1 2.83Å; K181-E185 PolarHBondContact O-N 3.25Å; K181-E185 VanDerWaalsContact O-N 3.12Å; K181-T221 HydrophobicContact CB-CG2 4.16Å; K181-T221 HydrophobicContact CD-CG2 3.85Å; K181-T221 HydrophobicContact CG-CG2 4.34Å
182K98.8Very high98.5Very high47 Ų4721.7 Ų21.720%0.20410%0.101CC..Hα-helixtrans-64.8-36.6178.6-17173-153.11670112.2V102 E103 A106 K178 I179 I184 E185 L186V102-K182 HydrophobicContact CG1-CB 3.77Å; V102-K182 HydrophobicContact CG1-CG 4.31Å; E103-K182 HydrophobicContact CG-CD 4.06Å; A106-K182 HydrophobicContact CB-CB 3.85Å; A106-K182 HydrophobicContact CB-CG 3.52Å; K178-K182 WeakPolarHBondContact O-CB 3.26Å; K178-K182 PolarHBondContact O-N 3.31Å; I179-K182 PolarHBondContact O-N 3.01Å; I179-K182 VanDerWaalsContact O-N 3.08Å; K182-I184 VanDerWaalsContact C-N 3.34Å; K182-E185 WeakPolarHBondContact CD-OE2 3.18Å; K182-E185 IonicContact NZ-OE2 3.84Å; K182-E185 PolarHBondContact NZ-OE2 3.4Å; K182-E185 WeakPolarHBondContact O-CB 3.43Å; K182-E185 PolarHBondContact O-N 3.03Å; K182-E185 VanDerWaalsContact O-N 3.15Å; K182-L186 WeakPolarHBondContact O-CG 3.26Å; K182-L186 PolarHBondContact O-N 3.14Å
183L98.9Very high98.5Very high0 Ų021.8 Ų21.80%010%0.102CC..Hα-helixtrans-64.6-37.1173.8-71.8164.7000112A106 L109 I179 A180 K181 E185 L186 N187 N188 A192 I195A106-L183 HydrophobicContact CB-CD2 3.95Å; A106-L183 HydrophobicContact CB-CG 3.99Å; A106-L183 WeakPolarHBondContact O-CD2 3.49Å; L109-L183 HydrophobicContact CB-CD2 4.14Å; L109-L183 HydrophobicContact CD1-CD1 3.92Å; L109-L183 HydrophobicContact CD1-CD2 4.43Å; I179-L183 HydrophobicContact CG2-CD1 3.86Å; I179-L183 HydrophobicContact CG2-CG 4.31Å; I179-L183 WeakPolarHBondContact O-CG 3.21Å; I179-L183 PolarHBondContact O-N 3.43Å; A180-L183 PolarHBondContact O-N 2.86Å; K181-L183 VanDerWaalsContact C-N 3.32Å; K181-L183 PolarHBondContact O-N 3.41Å; L183-E185 VanDerWaalsContact C-N 3.34Å; L183-L186 CarbonylContact O-C 3.56Å; L183-L186 PolarHBondContact O-N 3.2Å; L183-N187 PolarHBondContact O-N 3.1Å; L183-N187 VanDerWaalsContact O-N 3.12Å; L183-N188 HydrophobicContact CB-CB 4.46Å; L183-N188 HydrophobicContact CD2-CB 3.92Å; L183-N188 PolarHBondContact O-N 2.77Å; L183-A192 HydrophobicContact CB-CB 3.74Å; L183-I195 HydrophobicContact CD1-CD1 3.66Å
184I98.7Very high98.3Very high23 Ų2321.8 Ų21.812%0.11810%0.102CC..Hα-helixtrans-61.8-41.5170.3-65.7-62.1000111.2A180 K181 K182 L186 N187 I189 A192 L225 L228 F229 Y241A180-I184 WeakPolarHBondContact O-CG1 2.93Å; A180-I184 PolarHBondContact O-N 2.53Å; A180-I184 VanDerWaalsContact O-N 3.1Å; K181-I184 WeakPolarHBondContact O-CB 3.3Å; K181-I184 PolarHBondContact O-N 3.39Å; K182-I184 VanDerWaalsContact C-N 3.34Å; I184-L186 VanDerWaalsContact C-N 3.3Å; I184-L186 PolarHBondContact O-N 3.48Å; I184-N187 PolarHBondContact O-N 3.21Å; I184-N187 PolarHBondContact O-OD1 3.34Å; I184-I189 HydrophobicContact CD1-CD1 3.89Å; I184-A192 HydrophobicContact CD1-CB 3.69Å; I184-A192 HydrophobicContact CG1-CB 4Å; I184-L225 HydrophobicContact CG1-CD2 3.71Å; I184-L228 HydrophobicContact CD1-CD2 3.78Å; I184-F229 HydrophobicContact CD1-CE2 4.14Å; I184-F229 HydrophobicContact CD1-CZ 3.78Å; I184-Y241 HydrophobicContact CG2-CE1 4.47Å; I184-Y241 VanDerWaalsContact CG2-OH 3.3Å; I184-Y241 WeakPolarHBondContact CG2-OH 3.47Å
185E98.2Very high98.2Very high96 Ų9621.3 Ų21.345%0.44910%0.098SC..Hα-helixtrans-64.2-34.1175.9-65.3169.7-165.600112.6K181 K182 L183 N187K181-E185 IonicContact NZ-OE1 3.63Å; K181-E185 PolarHBondContact NZ-OE1 2.83Å; K181-E185 PolarHBondContact O-N 3.25Å; K181-E185 VanDerWaalsContact O-N 3.12Å; K182-E185 WeakPolarHBondContact CD-OE2 3.18Å; K182-E185 IonicContact NZ-OE2 3.84Å; K182-E185 PolarHBondContact NZ-OE2 3.4Å; K182-E185 WeakPolarHBondContact O-CB 3.43Å; K182-E185 PolarHBondContact O-N 3.03Å; K182-E185 VanDerWaalsContact O-N 3.15Å; L183-E185 VanDerWaalsContact C-N 3.34Å; E185-N187 PolarHBondContact O-N 3.48Å
186L98.5Very high98Very high29 Ų2920.2 Ų20.215%0.1529%0.093CC..THydrogen-bonded Turntrans-814.5172.7-65.9178000112.7A106 K182 L183 I184 N188 Y297 L300A106-L186 HydrophobicContact CB-CD1 3.9Å; K182-L186 WeakPolarHBondContact O-CG 3.26Å; K182-L186 PolarHBondContact O-N 3.14Å; L183-L186 CarbonylContact O-C 3.56Å; L183-L186 PolarHBondContact O-N 3.2Å; I184-L186 VanDerWaalsContact C-N 3.3Å; I184-L186 PolarHBondContact O-N 3.48Å; L186-N188 PolarHBondContact O-N 3.45Å; L186-Y297 WeakPolarHBondContact O-CE1 3.43Å; L186-Y297 PolarHBondContact O-OH 2.99Å; L186-L300 HydrophobicContact CD1-CD1 4.41Å; L186-L300 HydrophobicContact CD2-CD2 4.29Å
187N98.7Very high97.5Very high36 Ų3621.2 Ų21.219%0.19310%0.1CC..THydrogen-bonded Turntrans52.525.7-173.2-60.8-33.9000114.2L183 I184 E185 I189 I245 K246 P248 C249 I250L183-N187 PolarHBondContact O-N 3.1Å; L183-N187 VanDerWaalsContact O-N 3.12Å; I184-N187 PolarHBondContact O-N 3.21Å; I184-N187 PolarHBondContact O-OD1 3.34Å; E185-N187 PolarHBondContact O-N 3.48Å; N187-I189 PolarHBondContact O-N 2.99Å; N187-I245 HydrophobicContact CB-CG2 3.99Å; N187-K246 PolarHBondContact ND2-O 2.92Å; N187-P248 WeakPolarHBondContact CB-O 3.32Å; N187-P248 PolarHBondContact ND2-O 2.86Å; N187-C249 HydrophobicContact CB-CB 3.94Å; N187-C249 WeakPolarHBondContact O-CA 3.39Å; N187-C249 PolarHBondContact O-SG 3.41Å; N187-I250 PolarHBondContact O-N 3.48Å
188N98.7Very high96.9Very high0 Ų021.2 Ų21.20%010%0.1CC..BIsolated β-bridgetrans-89.381.7168.9-176.6-6.3000109.5T110 D113 L183 L186 H190 S191 A192 I250T110-N188 VanDerWaalsContact CA-ND2 3.26Å; T110-N188 WeakPolarHBondContact CA-ND2 3.48Å; T110-N188 HydrophobicContact CG2-CB 4.3Å; T110-N188 PolarHBondContact OG1-ND2 3.45Å; D113-N188 PolarHBondContact OD2-ND2 3.08Å; D113-N188 PolarHBondContact OD2-OD1 3.31Å; L183-N188 HydrophobicContact CB-CB 4.46Å; L183-N188 HydrophobicContact CD2-CB 3.92Å; L183-N188 PolarHBondContact O-N 2.77Å; L186-N188 PolarHBondContact O-N 3.45Å; N188-H190 VanDerWaalsContact C-N 3.31Å; N188-S191 PolarHBondContact OD1-N 2.9Å; N188-S191 VanDerWaalsContact OD1-N 3.1Å; N188-A192 VanDerWaalsContact O-CB 3.26Å; N188-A192 WeakPolarHBondContact O-CB 3.23Å; N188-A192 PolarHBondContact O-N 2.73Å; N188-I250 HydrophobicContact CB-CB 4.5Å
189I98.7Very high96.7Very high0 Ų017 Ų170%08%0.082CC..Hα-helixtrans-73.1-30.8-174.4-49.7-48.4000110.7I184 N187 F193 F229 L238 Y241 M242 I245 I250I184-I189 HydrophobicContact CD1-CD1 3.89Å; N187-I189 PolarHBondContact O-N 2.99Å; I189-F193 WeakPolarHBondContact O-CB 3.44Å; I189-F193 PolarHBondContact O-N 3.43Å; I189-F229 HydrophobicContact CG2-CE1 3.69Å; I189-F229 HydrophobicContact CG2-CZ 4.11Å; I189-L238 HydrophobicContact CG2-CD1 3.85Å; I189-Y241 HydrophobicContact CD1-CD1 4.47Å; I189-Y241 HydrophobicContact CD1-CE1 3.74Å; I189-M242 HydrophobicContact CB-SD 4.4Å; I189-M242 HydrophobicContact CG1-SD 3.9Å; I189-M242 HydrophobicContact CG2-SD 4.19Å; I189-I245 HydrophobicContact CD1-CD1 3.92Å; I189-I245 HydrophobicContact CG1-CD1 3.95Å; I189-I250 WeakPolarHBondContact CB-O 3.04Å; I189-I250 PolarHBondContact N-O 3.41Å
190H97.6Very high96.3Very high0 Ų020.3 Ų20.30%010%0.097CC..Hα-helixtrans-60.2-60.5178.3-172.271.8000112.4D113 F145 F149 N188 A192 F193 A194 I250D113-H190 IonicContact OD1-CD2 3.78Å; F145-H190 AromaticContact CD1-CE1 3.49Å; F145-H190 VanDerWaalsContact CD1-CE1 3.49Å; F145-H190 WeakPolarHBondContact CD1-CE1 3.5Å; F145-H190 AromaticContact CD1-ND1 3.94Å; F145-H190 AromaticContact CD1-NE2 3.77Å; F145-H190 AromaticContact CD2-NE2 3.88Å; F145-H190 HydrophobicContact CE1-CB 4.21Å; F145-H190 AromaticContact CE1-CD2 3.72Å; F145-H190 AromaticContact CE1-CE1 3.31Å; F145-H190 WeakPolarHBondContact CE1-CE1 3.5Å; F145-H190 AromaticContact CE1-CG 3.52Å; F145-H190 AromaticContact CE1-ND1 3.31Å; F145-H190 VanDerWaalsContact CE1-ND1 3.31Å; F145-H190 WeakPolarHBondContact CE1-ND1 3.34Å; F145-H190 AromaticContact CE1-NE2 3.58Å; F145-H190 AromaticContact CE2-CD2 3.55Å; F145-H190 AromaticContact CE2-NE2 3.64Å; F145-H190 AromaticContact CG-NE2 3.94Å; F145-H190 HydrophobicContact CZ-CB 3.82Å; F145-H190 AromaticContact CZ-CD2 3.25Å; F145-H190 WeakPolarHBondContact CZ-CD2 3.47Å; F145-H190 AromaticContact CZ-CE1 3.71Å; F145-H190 AromaticContact CZ-CG 3.32Å; F145-H190 AromaticContact CZ-ND1 3.67Å; F145-H190 AromaticContact CZ-NE2 3.5Å; F145-H190 WeakPolarHBondContact CZ-NE2 3.48Å; F145-H190 PolarHBondContact O-NE2 2.63Å; F149-H190 AromaticContact CD2-CE1 3.74Å; F149-H190 AromaticContact CD2-ND1 3.93Å; N188-H190 VanDerWaalsContact C-N 3.31Å; H190-A192 PolarHBondContact O-N 3.05Å; H190-F193 PolarHBondContact O-N 2.84Å; H190-A194 PolarHBondContact O-N 2.97Å; H190-I250 HydrophobicContact CB-CG2 3.96Å; H190-I250 PolarHBondContact N-O 2.86Å
191S97.9Very high95.6Very high0 Ų021.3 Ų21.30%010%0.104CC..Hα-helixtrans-71.3-30.9-179.7-84.70000112.8D113 N188 F193 A194 I195D113-S191 PolarHBondContact OD1-OG 3.38Å; D113-S191 VanDerWaalsContact OD2-CB 3.26Å; D113-S191 WeakPolarHBondContact OD2-CB 3.36Å; D113-S191 PolarHBondContact OD2-OG 3.32Å; N188-S191 PolarHBondContact OD1-N 2.9Å; N188-S191 VanDerWaalsContact OD1-N 3.1Å; S191-F193 PolarHBondContact O-N 3.24Å; S191-A194 PolarHBondContact O-N 3.2Å; S191-I195 PolarHBondContact O-N 2.83Å; S191-I195 VanDerWaalsContact O-N 3.08Å
192A98.6Very high94.4Very high0 Ų020 Ų200%010%0.102CC..Hα-helixtrans-57.2-44.3172.700000110.5L183 I184 N188 H190 V196 F229L183-A192 HydrophobicContact CB-CB 3.74Å; I184-A192 HydrophobicContact CD1-CB 3.69Å; I184-A192 HydrophobicContact CG1-CB 4Å; N188-A192 VanDerWaalsContact O-CB 3.26Å; N188-A192 WeakPolarHBondContact O-CB 3.23Å; N188-A192 PolarHBondContact O-N 2.73Å; H190-A192 PolarHBondContact O-N 3.05Å; A192-V196 WeakPolarHBondContact O-CG2 3.25Å; A192-V196 PolarHBondContact O-N 3.42Å; A192-V196 VanDerWaalsContact O-N 3.15Å; A192-F229 HydrophobicContact CB-CE2 4.26Å; A192-F229 HydrophobicContact CB-CZ 3.98Å
193F97.8Very high93.6Very high8 Ų818.4 Ų18.44%0.03510%0.097CC..Hα-helixtrans-73.3-33.7178.9-166.5-162.7000112.9F149 I189 H190 S191 I195 V196 S197 F229 W235 Y252 H397F149-F193 HydrophobicContact CE2-CB 4.09Å; F149-F193 HydrophobicContact CE2-CD1 4.25Å; F149-F193 HydrophobicContact CE2-CG 4.28Å; F149-F193 HydrophobicContact CZ-CD1 4.37Å; F149-F193 HydrophobicContact CZ-CG 4.38Å; I189-F193 WeakPolarHBondContact O-CB 3.44Å; I189-F193 PolarHBondContact O-N 3.43Å; H190-F193 PolarHBondContact O-N 2.84Å; S191-F193 PolarHBondContact O-N 3.24Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 3.08Å; F193-V196 HydrophobicContact CD2-CB 4.3Å; F193-V196 PolarHBondContact O-N 3.05Å; F193-S197 WeakPolarHBondContact CD2-OG 3.41Å; F193-S197 VanDerWaalsContact CE2-OG 3.25Å; F193-S197 WeakPolarHBondContact CE2-OG 3.25Å; F193-S197 VanDerWaalsContact O-CB 3.31Å; F193-S197 WeakPolarHBondContact O-CB 3.37Å; F193-S197 PolarHBondContact O-N 3.44Å; F193-S197 PolarHBondContact O-OG 2.8Å; F193-F229 HydrophobicContact CB-CD1 3.75Å; F193-F229 HydrophobicContact CB-CD2 4.34Å; F193-F229 HydrophobicContact CB-CE1 3.5Å; F193-F229 HydrophobicContact CB-CE2 4.1Å; F193-F229 HydrophobicContact CB-CG 4.18Å; F193-F229 HydrophobicContact CB-CZ 3.67Å; F193-F229 AromaticContact CD1-CD1 3.88Å; F193-F229 HydrophobicContact CD1-CD1 3.88Å; F193-F229 HydrophobicContact CD1-CE1 4.32Å; F193-F229 HydrophobicContact CD1-CG 4.43Å; F193-F229 HydrophobicContact CD2-CB 3.56Å; F193-F229 AromaticContact CD2-CD1 3.68Å; F193-F229 HydrophobicContact CD2-CD1 3.68Å; F193-F229 AromaticContact CD2-CD2 3.83Å; F193-F229 HydrophobicContact CD2-CD2 3.83Å; F193-F229 HydrophobicContact CD2-CE1 4.31Å; F193-F229 HydrophobicContact CD2-CE2 4.42Å; F193-F229 AromaticContact CD2-CG 3.41Å; F193-F229 HydrophobicContact CD2-CG 3.41Å; F193-F229 VanDerWaalsContact CD2-CG 3.41Å; F193-F229 HydrophobicContact CE1-CD1 4.37Å; F193-F229 HydrophobicContact CE2-CB 3.48Å; F193-F229 VanDerWaalsContact CE2-CB 3.48Å; F193-F229 HydrophobicContact CE2-CD1 4.28Å; F193-F229 AromaticContact CE2-CG 3.9Å; F193-F229 HydrophobicContact CE2-CG 3.9Å; F193-F229 HydrophobicContact CG-CB 4.25Å; F193-F229 AromaticContact CG-CD1 3.5Å; F193-F229 HydrophobicContact CG-CD1 3.5Å; F193-F229 VanDerWaalsContact CG-CD1 3.5Å; F193-F229 HydrophobicContact CG-CD2 4.28Å; F193-F229 AromaticContact CG-CE1 3.82Å; F193-F229 HydrophobicContact CG-CE1 3.82Å; F193-F229 AromaticContact CG-CG 3.76Å; F193-F229 HydrophobicContact CG-CG 3.76Å; F193-F229 HydrophobicContact CG-CZ 4.31Å; F193-F229 HydrophobicContact CZ-CB 4.01Å; F193-W235 AromaticContact CE1-CH2 3.54Å; F193-W235 HydrophobicContact CE1-CH2 3.54Å; F193-W235 AromaticContact CE1-CZ3 3.54Å; F193-W235 HydrophobicContact CE1-CZ3 3.54Å; F193-W235 AromaticContact CZ-CH2 3.55Å; F193-W235 HydrophobicContact CZ-CH2 3.55Å; F193-W235 AromaticContact CZ-CZ3 3.61Å; F193-W235 HydrophobicContact CZ-CZ3 3.61Å; F193-Y252 AromaticContact CD1-CD1 3.8Å; F193-Y252 HydrophobicContact CD1-CD1 3.8Å; F193-Y252 AromaticContact CD1-CD2 3.9Å; F193-Y252 HydrophobicContact CD1-CD2 3.9Å; F193-Y252 AromaticContact CD1-CE1 3.94Å; F193-Y252 HydrophobicContact CD1-CE1 3.94Å; F193-Y252 HydrophobicContact CD1-CE2 4.12Å; F193-Y252 AromaticContact CD1-CG 3.78Å; F193-Y252 HydrophobicContact CD1-CG 3.78Å; F193-Y252 HydrophobicContact CE1-CD1 4.02Å; F193-Y252 AromaticContact CE1-CE1 3.74Å; F193-Y252 HydrophobicContact CE1-CE1 3.74Å; F193-Y252 HydrophobicContact CE1-CE2 4.39Å; F193-Y252 HydrophobicContact CE1-CG 4.43Å; F193-Y252 AromaticContact CE1-CZ 3.97Å; F193-H397 AromaticContact CD1-CD2 3.83Å; F193-H397 AromaticContact CD1-NE2 3.25Å; F193-H397 VanDerWaalsContact CD1-NE2 3.25Å; F193-H397 WeakPolarHBondContact CD1-NE2 3.3Å; F193-H397 AromaticContact CE1-CD2 3.06Å; F193-H397 WeakPolarHBondContact CE1-CD2 3.24Å; F193-H397 AromaticContact CE1-NE2 2.98Å; F193-H397 WeakPolarHBondContact CE1-NE2 3.41Å; F193-H397 AromaticContact CZ-CD2 3.41Å; F193-H397 VanDerWaalsContact CZ-CD2 3.41Å; F193-H397 WeakPolarHBondContact CZ-CD2 3.44Å; F193-H397 AromaticContact CZ-NE2 3.77Å
194A92.7Very high92.8Very high0 Ų018.4 Ų18.40%010%0.097CC..Hα-helixtrans-57.7-45.7174.500000111.6F149 V152 H190 S191 S197 G198F149-A194 HydrophobicContact CD1-CB 4.39Å; F149-A194 HydrophobicContact CD2-CB 3.68Å; F149-A194 HydrophobicContact CE1-CB 4.42Å; F149-A194 VanDerWaalsContact CE2-CA 3.46Å; F149-A194 HydrophobicContact CE2-CB 3.74Å; F149-A194 VanDerWaalsContact CE2-N 3.31Å; F149-A194 HydrophobicContact CG-CB 4.02Å; F149-A194 HydrophobicContact CZ-CB 4.11Å; F149-A194 WeakPolarHBondContact O-CB 3.44Å; V152-A194 HydrophobicContact CB-CB 3.84Å; V152-A194 HydrophobicContact CG1-CB 3.72Å; H190-A194 PolarHBondContact O-N 2.97Å; S191-A194 PolarHBondContact O-N 3.2Å; A194-S197 PolarHBondContact O-N 3.44Å; A194-G198 PolarHBondContact O-N 3.09Å
195I96.3Very high92Very high0 Ų022.8 Ų22.80%011%0.113CC..Hα-helixtrans-64.4-47.6175.8-66.4176.3000111L109 V152 F176 I179 A180 L183 S191 F193 S197 G198 L199L109-I195 HydrophobicContact CD1-CD1 4.15Å; V152-I195 HydrophobicContact CG1-CG1 3.81Å; F176-I195 HydrophobicContact CB-CG2 3.93Å; F176-I195 HydrophobicContact CD1-CD1 4.25Å; F176-I195 HydrophobicContact CD1-CG1 4.48Å; F176-I195 HydrophobicContact CD1-CG2 4.11Å; F176-I195 HydrophobicContact CG-CG2 4.43Å; I179-I195 HydrophobicContact CB-CD1 4.08Å; I179-I195 HydrophobicContact CG2-CD1 3.46Å; I179-I195 VanDerWaalsContact CG2-CD1 3.46Å; A180-I195 HydrophobicContact CB-CB 4.27Å; A180-I195 HydrophobicContact CB-CG2 4Å; L183-I195 HydrophobicContact CD1-CD1 3.66Å; S191-I195 PolarHBondContact O-N 2.83Å; S191-I195 VanDerWaalsContact O-N 3.08Å; F193-I195 VanDerWaalsContact C-N 3.32Å; F193-I195 PolarHBondContact O-N 3.08Å; I195-S197 VanDerWaalsContact C-N 3.27Å; I195-S197 PolarHBondContact O-N 2.9Å; I195-G198 PolarHBondContact O-N 3.4Å; I195-G198 VanDerWaalsContact O-N 3.14Å; I195-L199 HydrophobicContact CG2-CD1 4.29Å; I195-L199 HydrophobicContact CG2-CG 4.38Å; I195-L199 WeakPolarHBondContact O-CG 3.31Å; I195-L199 PolarHBondContact O-N 3.13Å
196V94.6Very high91.5Very high0 Ų021.8 Ų21.80%011%0.105CC..Hα-helixtrans-58.8-42.3179171.80000110.8A180 A192 F193 L199 Q200 F222 L225 V226 F229A180-V196 HydrophobicContact CB-CG2 4.26Å; A192-V196 WeakPolarHBondContact O-CG2 3.25Å; A192-V196 PolarHBondContact O-N 3.42Å; A192-V196 VanDerWaalsContact O-N 3.15Å; F193-V196 HydrophobicContact CD2-CB 4.3Å; F193-V196 PolarHBondContact O-N 3.05Å; V196-L199 PolarHBondContact O-N 3.24Å; V196-Q200 HydrophobicContact CG1-CG 4.36Å; V196-Q200 WeakPolarHBondContact O-CB 3.01Å; V196-Q200 WeakPolarHBondContact O-CG 3.42Å; V196-Q200 PolarHBondContact O-N 3.45Å; V196-F222 HydrophobicContact CG1-CE2 4.4Å; V196-L225 HydrophobicContact CG2-CB 3.87Å; V196-L225 HydrophobicContact CG2-CD1 4.34Å; V196-V226 HydrophobicContact CG1-CG2 4.03Å; V196-F229 HydrophobicContact CB-CD2 4.22Å; V196-F229 HydrophobicContact CG1-CD2 4.25Å; V196-F229 HydrophobicContact CG2-CD2 4.02Å; V196-F229 HydrophobicContact CG2-CE2 4.11Å
197S89Confident91Very high21 Ų2120.5 Ų20.515%0.14710%0.099CC..Hα-helixtrans-62.9-42.6176.5-59.60000111.8F193 A194 I195 L199 Q200 S201F193-S197 WeakPolarHBondContact CD2-OG 3.41Å; F193-S197 VanDerWaalsContact CE2-OG 3.25Å; F193-S197 WeakPolarHBondContact CE2-OG 3.25Å; F193-S197 VanDerWaalsContact O-CB 3.31Å; F193-S197 WeakPolarHBondContact O-CB 3.37Å; F193-S197 PolarHBondContact O-N 3.44Å; F193-S197 PolarHBondContact O-OG 2.8Å; A194-S197 PolarHBondContact O-N 3.44Å; I195-S197 VanDerWaalsContact C-N 3.27Å; I195-S197 PolarHBondContact O-N 2.9Å; S197-L199 VanDerWaalsContact C-N 3.34Å; S197-L199 PolarHBondContact O-N 2.93Å; S197-Q200 CarbonylContact O-C 3.24Å; S197-Q200 PolarHBondContact O-N 2.92Å; S197-S201 PolarHBondContact O-N 3.14Å
198G86.8Confident90.8Very high0 Ų025.8 Ų25.80%012%0.116CC..Hα-helixtrans-60.8-41.2174.700000112.8C153 Q157 A194 I195 S201 I204C153-G198 WeakPolarHBondContact SG-CA 3.41Å; C153-G198 PolarHBondContact SG-N 3.33Å; C153-G198 VanDerWaalsContact SG-N 3.4Å; Q157-G198 VanDerWaalsContact CG-O 3.27Å; Q157-G198 WeakPolarHBondContact CG-O 2.98Å; A194-G198 PolarHBondContact O-N 3.09Å; I195-G198 PolarHBondContact O-N 3.4Å; I195-G198 VanDerWaalsContact O-N 3.14Å; G198-S201 VanDerWaalsContact O-CB 3.28Å; G198-S201 WeakPolarHBondContact O-CB 3.06Å; G198-S201 PolarHBondContact O-N 3.34Å; G198-S201 PolarHBondContact O-OG 3.48Å; G198-I204 WeakPolarHBondContact O-CG1 3.31Å
199L92.9Very high90.6Very high1 Ų133.9 Ų33.91%0.00515%0.147CC..Hα-helixtrans-73-29.9176.7-63.1-172.5000113.3C156 V160 L173 F176 I177 I195 V196 S197 S201 I204 W211 F222C156-L199 WeakPolarHBondContact SG-CD2 3.4Å; V160-L199 HydrophobicContact CG2-CD2 4.31Å; L173-L199 HydrophobicContact CD1-CD1 4.02Å; L173-L199 HydrophobicContact CD1-CD2 3.42Å; L173-L199 VanDerWaalsContact CD1-CD2 3.42Å; L173-L199 HydrophobicContact CD1-CG 4.21Å; F176-L199 HydrophobicContact CB-CD1 4.17Å; F176-L199 HydrophobicContact CB-CD2 4.38Å; I177-L199 HydrophobicContact CG1-CD1 3.83Å; I195-L199 HydrophobicContact CG2-CD1 4.29Å; I195-L199 HydrophobicContact CG2-CG 4.38Å; I195-L199 WeakPolarHBondContact O-CG 3.31Å; I195-L199 PolarHBondContact O-N 3.13Å; V196-L199 PolarHBondContact O-N 3.24Å; S197-L199 VanDerWaalsContact C-N 3.34Å; S197-L199 PolarHBondContact O-N 2.93Å; L199-S201 VanDerWaalsContact C-N 3.28Å; L199-I204 HydrophobicContact CD2-CG2 4.22Å; L199-W211 HydrophobicContact CB-CH2 4.27Å; L199-W211 WeakPolarHBondContact O-CZ2 3.25Å; L199-F222 HydrophobicContact CB-CE2 3.69Å; L199-F222 HydrophobicContact CB-CZ 3.86Å; L199-F222 HydrophobicContact CD1-CD2 4.16Å; L199-F222 HydrophobicContact CD1-CE2 3.82Å; L199-F222 HydrophobicContact CG-CE2 4.4Å
200Q90.2Very high90.5Very high70 Ų7034 Ų3433%0.32715%0.147SC..Hα-helixtrans-80.5-7.7173.4-70.9-170-67.500113.3V196 S197 F222 V226V196-Q200 HydrophobicContact CG1-CG 4.36Å; V196-Q200 WeakPolarHBondContact O-CB 3.01Å; V196-Q200 WeakPolarHBondContact O-CG 3.42Å; V196-Q200 PolarHBondContact O-N 3.45Å; S197-Q200 CarbonylContact O-C 3.24Å; S197-Q200 PolarHBondContact O-N 2.92Å; Q200-F222 HydrophobicContact CG-CZ 3.85Å; Q200-V226 HydrophobicContact CG-CG2 4.11Å; Q200-V226 VanDerWaalsContact NE2-CG1 3.28Å
201S84.9Confident90.5Very high21 Ų2135.5 Ų35.515%0.14715%0.153CC..SBendtrans-60.3150.1177.694.40000110.2Q157 S197 G198 L199 A203 I204 Y205Q157-S201 VanDerWaalsContact CD-OG 3.23Å; Q157-S201 PolarHBondContact OE1-OG 3.24Å; S197-S201 PolarHBondContact O-N 3.14Å; G198-S201 VanDerWaalsContact O-CB 3.28Å; G198-S201 WeakPolarHBondContact O-CB 3.06Å; G198-S201 PolarHBondContact O-N 3.34Å; G198-S201 PolarHBondContact O-OG 3.48Å; L199-S201 VanDerWaalsContact C-N 3.28Å; S201-A203 PolarHBondContact O-N 3.01Å; S201-A203 VanDerWaalsContact OG-CB 3.27Å; S201-A203 WeakPolarHBondContact OG-CB 3.23Å; S201-A203 PolarHBondContact OG-N 3.23Å; S201-I204 PolarHBondContact O-N 3.45Å; S201-Y205 VanDerWaalsContact O-CB 3.28Å; S201-Y205 WeakPolarHBondContact O-CB 3.5Å; S201-Y205 PolarHBondContact O-N 3.46Å
202N74Confident90.4Very high67 Ų6741.5 Ų41.536%0.35818%0.184SC..Hα-helixtrans-56.7-26.8174.7-70.1-30.2000112.2I204 R206 F392N202-I204 PolarHBondContact O-N 2.93Å; N202-R206 WeakPolarHBondContact O-CG 3.49Å; N202-R206 PolarHBondContact O-NH1 3.28Å; N202-F392 VanDerWaalsContact ND2-CD1 3.26Å; N202-F392 WeakPolarHBondContact ND2-CD1 3.42Å; N202-F392 WeakPolarHBondContact ND2-CG 3.44Å
203A80.9Confident90.4Very high14 Ų1444 Ų4412%0.11621%0.205CC..Hα-helixtrans-60.4-36.6179.200000111.5L161 S201 R206L161-A203 HydrophobicContact CD1-CB 4.15Å; S201-A203 PolarHBondContact O-N 3.01Å; S201-A203 VanDerWaalsContact OG-CB 3.27Å; S201-A203 WeakPolarHBondContact OG-CB 3.23Å; S201-A203 PolarHBondContact OG-N 3.23Å; A203-R206 PolarHBondContact O-NH1 3.47Å
204I82.5Confident90.4Very high0 Ų043.9 Ų43.90%020%0.204CC..Hα-helixtrans-106.7-41.7-176.2-54.1-55.1000112Q157 V160 L161 L173 G198 L199 S201 N202 R206 L207 W211Q157-I204 HydrophobicContact CB-CD1 4.36Å; Q157-I204 HydrophobicContact CB-CG1 4.34Å; Q157-I204 HydrophobicContact CG-CD1 4.48Å; Q157-I204 HydrophobicContact CG-CG1 3.92Å; V160-I204 HydrophobicContact CB-CD1 3.85Å; V160-I204 HydrophobicContact CG1-CD1 3.81Å; V160-I204 HydrophobicContact CG1-CG2 4.23Å; L161-I204 HydrophobicContact CD1-CD1 4.23Å; L161-I204 HydrophobicContact CD2-CD1 3.93Å; L161-I204 HydrophobicContact CG-CD1 3.67Å; L173-I204 HydrophobicContact CD1-CG2 4.1Å; G198-I204 WeakPolarHBondContact O-CG1 3.31Å; L199-I204 HydrophobicContact CD2-CG2 4.22Å; S201-I204 PolarHBondContact O-N 3.45Å; N202-I204 PolarHBondContact O-N 2.93Å; I204-R206 PolarHBondContact O-N 3.23Å; I204-R206 VanDerWaalsContact O-N 3.15Å; I204-L207 HydrophobicContact CD1-CD1 4.39Å; I204-L207 WeakPolarHBondContact O-CB 3.41Å; I204-L207 WeakPolarHBondContact O-CG 3.38Å; I204-L207 PolarHBondContact O-N 3.21Å; I204-W211 HydrophobicContact CG2-CZ2 3.95Å; I204-W211 PolarHBondContact O-NE1 3.18Å
205Y81.9Confident90.6Very high116 Ų11646.4 Ų46.446%0.45522%0.222SC..Hα-helixtrans-60.6-29.4-174.1-171.4-107.7000113.4S201 L207S201-Y205 VanDerWaalsContact O-CB 3.28Å; S201-Y205 WeakPolarHBondContact O-CB 3.5Å; S201-Y205 PolarHBondContact O-N 3.46Å; Y205-L207 VanDerWaalsContact C-N 3.29Å; Y205-L207 PolarHBondContact O-N 3.03Å
206R88.3Confident90.7Very high74 Ų7451.2 Ų51.228%0.27926%0.255SS..THydrogen-bonded Turntrans-73.4-16.2178.381.9-178.6-177.1-61.1-20.6114.2N202 A203 I204 R208 S323N202-R206 WeakPolarHBondContact O-CG 3.49Å; N202-R206 PolarHBondContact O-NH1 3.28Å; A203-R206 PolarHBondContact O-NH1 3.47Å; I204-R206 PolarHBondContact O-N 3.23Å; I204-R206 VanDerWaalsContact O-N 3.15Å; R206-R208 WeakPolarHBondContact O-CG 3.31Å; R206-R208 PolarHBondContact O-N 3.24Å; R206-S323 PolarHBondContact NH1-OG 2.85Å; R206-S323 VanDerWaalsContact NH1-OG 3.11Å; R206-S323 PolarHBondContact NH2-O 3.37Å; R206-S323 PolarHBondContact NH2-OG 2.83Å
207L88.9Confident90.9Very high2 Ų259 Ų591%0.0129%0.289CS..  trans-72.767.7-176.2-58177000111.9L161 I204 Y205 R209 T210 W211 E327L161-L207 HydrophobicContact CD2-CD1 4.15Å; I204-L207 HydrophobicContact CD1-CD1 4.39Å; I204-L207 WeakPolarHBondContact O-CB 3.41Å; I204-L207 WeakPolarHBondContact O-CG 3.38Å; I204-L207 PolarHBondContact O-N 3.21Å; Y205-L207 VanDerWaalsContact C-N 3.29Å; Y205-L207 PolarHBondContact O-N 3.03Å; L207-R209 VanDerWaalsContact C-N 3.31Å; L207-R209 PolarHBondContact O-N 3.03Å; L207-T210 WeakPolarHBondContact O-CB 3.31Å; L207-T210 PolarHBondContact O-N 3.18Å; L207-W211 PolarHBondContact O-N 3.16Å; L207-W211 VanDerWaalsContact O-N 3.15Å; L207-E327 HydrophobicContact CD2-CG 4.16Å
208R93Very high91.4Very high147 Ų14758.6 Ų58.656%0.55529%0.285SS*.Hα-helixtrans-56.4-41.2-167.4-61-52.5-175.2165.4-0.4113.1R206 T210 W211 I212R206-R208 WeakPolarHBondContact O-CG 3.31Å; R206-R208 PolarHBondContact O-N 3.24Å; R208-T210 VanDerWaalsContact C-N 3.32Å; R208-T210 PolarHBondContact O-N 2.71Å; R208-W211 PolarHBondContact O-N 2.96Å; R208-I212 WeakPolarHBondContact O-CB 3.49Å; R208-I212 VanDerWaalsContact O-CG1 3.23Å; R208-I212 WeakPolarHBondContact O-CG1 3.39Å; R208-I212 PolarHBondContact O-N 3.48Å
209R95.6Very high91.9Very high171 Ų17161.6 Ų61.665%0.64530%0.298SS*.Hα-helixtrans-61.5-41.1179.8-65.7-179.869177.41.9111.6L166 L207 I212 A213L166-R209 HydrophobicContact CD1-CB 4.05Å; L166-R209 HydrophobicContact CD2-CB 4.41Å; L207-R209 VanDerWaalsContact C-N 3.31Å; L207-R209 PolarHBondContact O-N 3.03Å; R209-I212 PolarHBondContact O-N 3.36Å; R209-A213 WeakPolarHBondContact O-CB 3.29Å; R209-A213 PolarHBondContact O-N 2.93Å
210T95.7Very high92.2Very high1 Ų165.3 Ų65.31%0.00632%0.318CS..Hα-helixtrans-64-47.9176.4-45.10000110.9R169 L173 L207 R208 I212 A213 L214R169-T210 HydrophobicContact CB-CG2 4.37Å; R169-T210 HydrophobicContact CG-CG2 3.82Å; R169-T210 PolarHBondContact NE-OG1 3.45Å; R169-T210 VanDerWaalsContact NE-OG1 3.08Å; L173-T210 HydrophobicContact CB-CG2 4.34Å; L173-T210 HydrophobicContact CD2-CG2 3.67Å; L207-T210 WeakPolarHBondContact O-CB 3.31Å; L207-T210 PolarHBondContact O-N 3.18Å; R208-T210 VanDerWaalsContact C-N 3.32Å; R208-T210 PolarHBondContact O-N 2.71Å; T210-I212 VanDerWaalsContact C-N 3.33Å; T210-I212 PolarHBondContact O-N 3.29Å; T210-A213 PolarHBondContact O-N 3.35Å; T210-L214 PolarHBondContact O-N 3.29Å
211W97.3Very high92.6Very high33 Ų3363 Ų6313%0.12531%0.309CS..Hα-helixtrans-63.2-37.6177.7-71.7103.8000112.6L173 L199 I204 L207 R208 L214 K219 F222L173-W211 HydrophobicContact CD1-CH2 3.96Å; L173-W211 HydrophobicContact CD1-CZ2 4.08Å; L173-W211 HydrophobicContact CD1-CZ3 4.48Å; L173-W211 HydrophobicContact CD2-CD2 3.97Å; L173-W211 HydrophobicContact CD2-CE3 4.03Å; L173-W211 HydrophobicContact CD2-CH2 4.28Å; L173-W211 HydrophobicContact CD2-CZ2 4.23Å; L173-W211 HydrophobicContact CD2-CZ3 4.17Å; L199-W211 HydrophobicContact CB-CH2 4.27Å; L199-W211 WeakPolarHBondContact O-CZ2 3.25Å; I204-W211 HydrophobicContact CG2-CZ2 3.95Å; I204-W211 PolarHBondContact O-NE1 3.18Å; L207-W211 PolarHBondContact O-N 3.16Å; L207-W211 VanDerWaalsContact O-N 3.15Å; R208-W211 PolarHBondContact O-N 2.96Å; W211-L214 HydrophobicContact CD2-CD1 4.48Å; W211-L214 HydrophobicContact CE3-CD1 3.59Å; W211-L214 HydrophobicContact CZ3-CD1 3.84Å; W211-L214 PolarHBondContact O-N 3.06Å; W211-K219 WeakPolarHBondContact O-CE 3.25Å; W211-K219 PolarHBondContact O-NZ 3.08Å; W211-F222 AromaticContact CH2-CD1 3.84Å; W211-F222 HydrophobicContact CH2-CD1 3.84Å; W211-F222 AromaticContact CH2-CE1 3.37Å; W211-F222 HydrophobicContact CH2-CE1 3.37Å; W211-F222 HydrophobicContact CH2-CE2 4.23Å; W211-F222 HydrophobicContact CH2-CG 4.42Å; W211-F222 AromaticContact CH2-CZ 3.59Å; W211-F222 HydrophobicContact CH2-CZ 3.59Å; W211-F222 HydrophobicContact CZ2-CE1 4.4Å; W211-F222 AromaticContact CZ3-CD1 3.53Å; W211-F222 HydrophobicContact CZ3-CD1 3.53Å; W211-F222 AromaticContact CZ3-CE1 3.53Å; W211-F222 HydrophobicContact CZ3-CE1 3.53Å; W211-F222 HydrophobicContact CZ3-CG 4.16Å; W211-F222 HydrophobicContact CZ3-CZ 4.18Å
212I96.9Very high93.2Very high126 Ų12662.8 Ų62.865%0.64631%0.305SS*.Hα-helixtrans-65.9-41.4175.5-70.6164.9000110.8R208 R209 T210 L214 K219R208-I212 WeakPolarHBondContact O-CB 3.49Å; R208-I212 VanDerWaalsContact O-CG1 3.23Å; R208-I212 WeakPolarHBondContact O-CG1 3.39Å; R208-I212 PolarHBondContact O-N 3.48Å; R209-I212 PolarHBondContact O-N 3.36Å; T210-I212 VanDerWaalsContact C-N 3.33Å; T210-I212 PolarHBondContact O-N 3.29Å; I212-L214 VanDerWaalsContact C-N 3.27Å; I212-L214 PolarHBondContact O-N 3.41Å; I212-K219 PolarHBondContact O-NZ 3.32Å
213A97.7Very high94.4Very high53 Ų5365.3 Ų65.344%0.43832%0.315SS..Hα-helixtrans-70-18-17900000114.1T170 R209 T210T170-A213 HydrophobicContact CG2-CB 3.86Å; R209-A213 WeakPolarHBondContact O-CB 3.29Å; R209-A213 PolarHBondContact O-N 2.93Å; T210-A213 PolarHBondContact O-N 3.35Å
214L98Very high95.2Very high4 Ų472.5 Ų72.52%0.02134%0.339CS..SBendtrans-58.9142.8174.9-80.2176.5000112.4T170 L173 I177 T210 W211 I212 K219T170-L214 HydrophobicContact CG2-CD2 3.97Å; T170-L214 HydrophobicContact CG2-CG 4.28Å; L173-L214 HydrophobicContact CB-CD2 4.22Å; L173-L214 HydrophobicContact CD2-CD1 3.51Å; L173-L214 HydrophobicContact CD2-CD2 4.16Å; L173-L214 HydrophobicContact CD2-CG 3.83Å; L173-L214 HydrophobicContact CG-CD1 3.91Å; L173-L214 HydrophobicContact CG-CD2 4.09Å; L173-L214 HydrophobicContact CG-CG 4.29Å; I177-L214 HydrophobicContact CD1-CD1 3.87Å; I177-L214 HydrophobicContact CD1-CD2 4.38Å; T210-L214 PolarHBondContact O-N 3.29Å; W211-L214 HydrophobicContact CD2-CD1 4.48Å; W211-L214 HydrophobicContact CE3-CD1 3.59Å; W211-L214 HydrophobicContact CZ3-CD1 3.84Å; W211-L214 PolarHBondContact O-N 3.06Å; I212-L214 VanDerWaalsContact C-N 3.27Å; I212-L214 PolarHBondContact O-N 3.41Å; L214-K219 HydrophobicContact CB-CD 4.47Å; L214-K219 HydrophobicContact CB-CG 3.91Å; L214-K219 HydrophobicContact CD1-CG 4.46Å; L214-K219 VanDerWaalsContact O-CE 3.23Å; L214-K219 WeakPolarHBondContact O-CE 3.41Å; L214-K219 PolarHBondContact O-NZ 3.04Å
215S98.2Very high96Very high53 Ų5373 Ų7337%0.37134%0.341SS..  trans-59.7147.4173.979.60000111.5K217 D218 K219S215-K217 PolarHBondContact O-N 2.82Å; S215-D218 PolarHBondContact O-N 3.49Å; S215-D218 WeakPolarHBondContact OG-CB 3.11Å; S215-D218 PolarHBondContact OG-N 3.29Å; S215-D218 VanDerWaalsContact OG-N 3.14Å; S215-D218 PolarHBondContact OG-OD2 3.37Å; S215-K219 WeakPolarHBondContact O-CG 3.3Å; S215-K219 PolarHBondContact O-N 3.09Å
216S98.2Very high96.5Very high101 Ų10169.3 Ų69.371%0.70633%0.331SS*.Hα-helixtrans-58.9-32.4177.2-54.70000112.5L220S216-L220 WeakPolarHBondContact O-CB 3.39Å; S216-L220 PolarHBondContact O-N 3.43Å; S216-L220 VanDerWaalsContact O-N 3.09Å
217K98.4Very high96.9Very high164 Ų16471.8 Ų71.871%0.71334%0.344SS*.Hα-helixtrans-65.8-45.5176.8-177.7-179.4177.3-179.30111.9S215 T221S215-K217 PolarHBondContact O-N 2.82Å; K217-T221 PolarHBondContact O-N 3.17Å; K217-T221 PolarHBondContact O-OG1 3.13Å
218D98.7Very high97.3Very high12 Ų1273 Ų736%0.06435%0.35CS..Hα-helixtrans-72.2-39-179.4-62.5-32.2000111.1S174 I177 K178 S215 L220 T221 F222S174-D218 WeakPolarHBondContact CB-OD2 3.48Å; S174-D218 VanDerWaalsContact OG-CG 3.28Å; S174-D218 PolarHBondContact OG-OD2 3.07Å; I177-D218 HydrophobicContact CD1-CB 4.33Å; K178-D218 WeakPolarHBondContact CE-OD1 3.4Å; S215-D218 PolarHBondContact O-N 3.49Å; S215-D218 WeakPolarHBondContact OG-CB 3.11Å; S215-D218 PolarHBondContact OG-N 3.29Å; S215-D218 VanDerWaalsContact OG-N 3.14Å; S215-D218 PolarHBondContact OG-OD2 3.37Å; D218-L220 PolarHBondContact O-N 2.93Å; D218-T221 WeakPolarHBondContact O-CB 3.44Å; D218-T221 PolarHBondContact O-N 3.02Å; D218-F222 WeakPolarHBondContact O-CB 3.49Å; D218-F222 PolarHBondContact O-N 3.28Å
219K98.3Very high97.2Very high63 Ų6366.3 Ų66.327%0.27433%0.325SS..Hα-helixtrans-54.4-51.1171.4-75.7172.2175.5147.80111.8W211 I212 L214 S215 T221 F222 E223W211-K219 WeakPolarHBondContact O-CE 3.25Å; W211-K219 PolarHBondContact O-NZ 3.08Å; I212-K219 PolarHBondContact O-NZ 3.32Å; L214-K219 HydrophobicContact CB-CD 4.47Å; L214-K219 HydrophobicContact CB-CG 3.91Å; L214-K219 HydrophobicContact CD1-CG 4.46Å; L214-K219 VanDerWaalsContact O-CE 3.23Å; L214-K219 WeakPolarHBondContact O-CE 3.41Å; L214-K219 PolarHBondContact O-NZ 3.04Å; S215-K219 WeakPolarHBondContact O-CG 3.3Å; S215-K219 PolarHBondContact O-N 3.09Å; K219-T221 VanDerWaalsContact C-N 3.29Å; K219-T221 PolarHBondContact O-N 3.05Å; K219-F222 PolarHBondContact O-N 3.07Å; K219-E223 WeakPolarHBondContact O-CG 3.48Å; K219-E223 PolarHBondContact O-N 3.44Å
220L98.5Very high97Very high79 Ų7959 Ų5941%0.41430%0.3SS..Hα-helixtrans-62.9-36.6178.7-178.261.9000112.2S216 D218 R224S216-L220 WeakPolarHBondContact O-CB 3.39Å; S216-L220 PolarHBondContact O-N 3.43Å; S216-L220 VanDerWaalsContact O-N 3.09Å; D218-L220 PolarHBondContact O-N 2.93Å; L220-R224 VanDerWaalsContact O-CG 3.28Å; L220-R224 WeakPolarHBondContact O-CG 3.47Å; L220-R224 PolarHBondContact O-N 3.39Å; L220-R224 VanDerWaalsContact O-N 3.09Å
221T98.7Very high96.4Very high23 Ų2361.4 Ų61.414%0.14131%0.313CS..Hα-helixtrans-64.5-46.3175.7-58.90000110.6I177 K181 K217 D218 K219 R224 L225I177-T221 HydrophobicContact CG2-CG2 3.8Å; K181-T221 HydrophobicContact CB-CG2 4.16Å; K181-T221 HydrophobicContact CD-CG2 3.85Å; K181-T221 HydrophobicContact CG-CG2 4.34Å; K217-T221 PolarHBondContact O-N 3.17Å; K217-T221 PolarHBondContact O-OG1 3.13Å; D218-T221 WeakPolarHBondContact O-CB 3.44Å; D218-T221 PolarHBondContact O-N 3.02Å; K219-T221 VanDerWaalsContact C-N 3.29Å; K219-T221 PolarHBondContact O-N 3.05Å; T221-R224 PolarHBondContact O-N 3.22Å; T221-L225 HydrophobicContact CG2-CD1 4.32Å; T221-L225 WeakPolarHBondContact O-CG 3.48Å; T221-L225 PolarHBondContact O-N 3.25Å
222F98.4Very high95.7Very high15 Ų1562.3 Ų62.37%0.06632%0.324CS..Hα-helixtrans-63-43.6176.9-174.7-111.9000112.3I177 V196 L199 Q200 W211 D218 K219 R224 L225 V226I177-F222 HydrophobicContact CD1-CB 3.9Å; I177-F222 HydrophobicContact CD1-CD2 4.41Å; I177-F222 HydrophobicContact CD1-CG 4.28Å; I177-F222 HydrophobicContact CG1-CB 4.06Å; I177-F222 HydrophobicContact CG1-CD2 3.94Å; I177-F222 HydrophobicContact CG1-CG 4.27Å; I177-F222 HydrophobicContact CG2-CB 4.19Å; V196-F222 HydrophobicContact CG1-CE2 4.4Å; L199-F222 HydrophobicContact CB-CE2 3.69Å; L199-F222 HydrophobicContact CB-CZ 3.86Å; L199-F222 HydrophobicContact CD1-CD2 4.16Å; L199-F222 HydrophobicContact CD1-CE2 3.82Å; L199-F222 HydrophobicContact CG-CE2 4.4Å; Q200-F222 HydrophobicContact CG-CZ 3.85Å; W211-F222 AromaticContact CH2-CD1 3.84Å; W211-F222 HydrophobicContact CH2-CD1 3.84Å; W211-F222 AromaticContact CH2-CE1 3.37Å; W211-F222 HydrophobicContact CH2-CE1 3.37Å; W211-F222 HydrophobicContact CH2-CE2 4.23Å; W211-F222 HydrophobicContact CH2-CG 4.42Å; W211-F222 AromaticContact CH2-CZ 3.59Å; W211-F222 HydrophobicContact CH2-CZ 3.59Å; W211-F222 HydrophobicContact CZ2-CE1 4.4Å; W211-F222 AromaticContact CZ3-CD1 3.53Å; W211-F222 HydrophobicContact CZ3-CD1 3.53Å; W211-F222 AromaticContact CZ3-CE1 3.53Å; W211-F222 HydrophobicContact CZ3-CE1 3.53Å; W211-F222 HydrophobicContact CZ3-CG 4.16Å; W211-F222 HydrophobicContact CZ3-CZ 4.18Å; D218-F222 WeakPolarHBondContact O-CB 3.49Å; D218-F222 PolarHBondContact O-N 3.28Å; K219-F222 PolarHBondContact O-N 3.07Å; F222-R224 VanDerWaalsContact C-N 3.28Å; F222-R224 PolarHBondContact O-N 3.34Å; F222-L225 WeakPolarHBondContact O-CB 3.36Å; F222-L225 PolarHBondContact O-N 3.25Å; F222-L225 VanDerWaalsContact O-N 3.15Å; F222-V226 HydrophobicContact CD1-CG2 4.07Å; F222-V226 HydrophobicContact CD2-CG2 4.38Å; F222-V226 HydrophobicContact CE1-CG2 3.69Å; F222-V226 HydrophobicContact CE2-CG2 4.01Å; F222-V226 HydrophobicContact CG-CG2 4.41Å; F222-V226 HydrophobicContact CZ-CG2 3.66Å; F222-V226 WeakPolarHBondContact O-CG2 3.34Å; F222-V226 PolarHBondContact O-N 3.09Å
223E98.1Very high95.3Very high121 Ų12160.7 Ų60.757%0.56532%0.324SS*.Hα-helixtrans-58.2-39.7175.1-74.8173.7-172.500112.4K219 K227K219-E223 WeakPolarHBondContact O-CG 3.48Å; K219-E223 PolarHBondContact O-N 3.44Å; E223-K227 VanDerWaalsContact O-CB 3.25Å; E223-K227 WeakPolarHBondContact O-CB 3.17Å; E223-K227 PolarHBondContact O-N 3.37Å
224R98.7Very high94.8Very high164 Ų16461.1 Ų61.162%0.61932%0.319SS*.Hα-helixtrans-65.7-42.6175.3-72.1170.8-178.1-176.6-0.2112L220 T221 F222 K227 L228L220-R224 VanDerWaalsContact O-CG 3.28Å; L220-R224 WeakPolarHBondContact O-CG 3.47Å; L220-R224 PolarHBondContact O-N 3.39Å; L220-R224 VanDerWaalsContact O-N 3.09Å; T221-R224 PolarHBondContact O-N 3.22Å; F222-R224 VanDerWaalsContact C-N 3.28Å; F222-R224 PolarHBondContact O-N 3.34Å; R224-K227 PolarHBondContact O-N 3.03Å; R224-L228 PolarHBondContact O-N 2.99Å
225L98Very high94.4Very high11 Ų1162.4 Ų62.46%0.05832%0.324CS..Hα-helixtrans-62.8-48.4175.9-69.9167.8000111.3I177 A180 I184 V196 T221 F222 K227 L228 F229I177-L225 HydrophobicContact CG2-CD1 4.5Å; A180-L225 HydrophobicContact CB-CD1 3.77Å; I184-L225 HydrophobicContact CG1-CD2 3.71Å; V196-L225 HydrophobicContact CG2-CB 3.87Å; V196-L225 HydrophobicContact CG2-CD1 4.34Å; T221-L225 HydrophobicContact CG2-CD1 4.32Å; T221-L225 WeakPolarHBondContact O-CG 3.48Å; T221-L225 PolarHBondContact O-N 3.25Å; F222-L225 WeakPolarHBondContact O-CB 3.36Å; F222-L225 PolarHBondContact O-N 3.25Å; F222-L225 VanDerWaalsContact O-N 3.15Å; L225-K227 VanDerWaalsContact C-N 3.27Å; L225-K227 PolarHBondContact O-N 3.07Å; L225-L228 WeakPolarHBondContact O-CB 3.26Å; L225-L228 PolarHBondContact O-N 3.49Å; L225-L228 VanDerWaalsContact O-N 3.14Å; L225-F229 VanDerWaalsContact O-CD2 3.28Å; L225-F229 WeakPolarHBondContact O-CD2 3.26Å; L225-F229 PolarHBondContact O-N 2.66Å
226V93.6Very high94.2Very high39 Ų3963.8 Ų63.824%0.23632%0.324CS..Hα-helixtrans-58.6-40.5175.4167.70000111.3V196 Q200 F222 F229 S230V196-V226 HydrophobicContact CG1-CG2 4.03Å; Q200-V226 HydrophobicContact CG-CG2 4.11Å; Q200-V226 VanDerWaalsContact NE2-CG1 3.28Å; F222-V226 HydrophobicContact CD1-CG2 4.07Å; F222-V226 HydrophobicContact CD2-CG2 4.38Å; F222-V226 HydrophobicContact CE1-CG2 3.69Å; F222-V226 HydrophobicContact CE2-CG2 4.01Å; F222-V226 HydrophobicContact CG-CG2 4.41Å; F222-V226 HydrophobicContact CZ-CG2 3.66Å; F222-V226 WeakPolarHBondContact O-CG2 3.34Å; F222-V226 PolarHBondContact O-N 3.09Å; V226-F229 CarbonylContact O-C 3.59Å; V226-F229 PolarHBondContact O-N 3.3Å; V226-S230 PolarHBondContact O-N 3.08Å
227K96.2Very high94.2Very high125 Ų12564.4 Ų64.454%0.54331%0.311SS..Hα-helixtrans-65.7-38.8177.5-173.3176.7-179.1179.30112.2E223 R224 L225 S230 R237E223-K227 VanDerWaalsContact O-CB 3.25Å; E223-K227 WeakPolarHBondContact O-CB 3.17Å; E223-K227 PolarHBondContact O-N 3.37Å; R224-K227 PolarHBondContact O-N 3.03Å; L225-K227 VanDerWaalsContact C-N 3.27Å; L225-K227 PolarHBondContact O-N 3.07Å; K227-S230 WeakPolarHBondContact O-CB 3.5Å; K227-S230 PolarHBondContact O-N 3.17Å; K227-R237 WeakPolarHBondContact O-CD 3.29Å
228L97.2Very high94Very high28 Ų2856.6 Ų56.615%0.14728%0.277CS..Hα-helixtrans-62-47.9175.4173.263000111I184 R224 L225 S230 L238 Y241I184-L228 HydrophobicContact CD1-CD2 3.78Å; R224-L228 PolarHBondContact O-N 2.99Å; L225-L228 WeakPolarHBondContact O-CB 3.26Å; L225-L228 PolarHBondContact O-N 3.49Å; L225-L228 VanDerWaalsContact O-N 3.14Å; L228-S230 PolarHBondContact O-N 2.91Å; L228-L238 HydrophobicContact CD1-CD1 4.36Å; L228-L238 HydrophobicContact CG-CD1 4.45Å; L228-Y241 HydrophobicContact CD1-CD1 4.06Å; L228-Y241 HydrophobicContact CD1-CD2 4.28Å; L228-Y241 HydrophobicContact CD1-CG 3.72Å; L228-Y241 HydrophobicContact CD2-CD1 4.31Å; L228-Y241 HydrophobicContact CD2-CE1 4.45Å
229F91.9Very high94Very high7 Ų758.6 Ų58.63%0.03128%0.284CS..THydrogen-bonded Turntrans-85.522.9-179.8-64.5-62.2000114.4I184 I189 A192 F193 V196 L225 V226 D231 W235 L238I184-F229 HydrophobicContact CD1-CE2 4.14Å; I184-F229 HydrophobicContact CD1-CZ 3.78Å; I189-F229 HydrophobicContact CG2-CE1 3.69Å; I189-F229 HydrophobicContact CG2-CZ 4.11Å; A192-F229 HydrophobicContact CB-CE2 4.26Å; A192-F229 HydrophobicContact CB-CZ 3.98Å; F193-F229 HydrophobicContact CB-CD1 3.75Å; F193-F229 HydrophobicContact CB-CD2 4.34Å; F193-F229 HydrophobicContact CB-CE1 3.5Å; F193-F229 HydrophobicContact CB-CE2 4.1Å; F193-F229 HydrophobicContact CB-CG 4.18Å; F193-F229 HydrophobicContact CB-CZ 3.67Å; F193-F229 AromaticContact CD1-CD1 3.88Å; F193-F229 HydrophobicContact CD1-CD1 3.88Å; F193-F229 HydrophobicContact CD1-CE1 4.32Å; F193-F229 HydrophobicContact CD1-CG 4.43Å; F193-F229 HydrophobicContact CD2-CB 3.56Å; F193-F229 AromaticContact CD2-CD1 3.68Å; F193-F229 HydrophobicContact CD2-CD1 3.68Å; F193-F229 AromaticContact CD2-CD2 3.83Å; F193-F229 HydrophobicContact CD2-CD2 3.83Å; F193-F229 HydrophobicContact CD2-CE1 4.31Å; F193-F229 HydrophobicContact CD2-CE2 4.42Å; F193-F229 AromaticContact CD2-CG 3.41Å; F193-F229 HydrophobicContact CD2-CG 3.41Å; F193-F229 VanDerWaalsContact CD2-CG 3.41Å; F193-F229 HydrophobicContact CE1-CD1 4.37Å; F193-F229 HydrophobicContact CE2-CB 3.48Å; F193-F229 VanDerWaalsContact CE2-CB 3.48Å; F193-F229 HydrophobicContact CE2-CD1 4.28Å; F193-F229 AromaticContact CE2-CG 3.9Å; F193-F229 HydrophobicContact CE2-CG 3.9Å; F193-F229 HydrophobicContact CG-CB 4.25Å; F193-F229 AromaticContact CG-CD1 3.5Å; F193-F229 HydrophobicContact CG-CD1 3.5Å; F193-F229 VanDerWaalsContact CG-CD1 3.5Å; F193-F229 HydrophobicContact CG-CD2 4.28Å; F193-F229 AromaticContact CG-CE1 3.82Å; F193-F229 HydrophobicContact CG-CE1 3.82Å; F193-F229 AromaticContact CG-CG 3.76Å; F193-F229 HydrophobicContact CG-CG 3.76Å; F193-F229 HydrophobicContact CG-CZ 4.31Å; F193-F229 HydrophobicContact CZ-CB 4.01Å; V196-F229 HydrophobicContact CB-CD2 4.22Å; V196-F229 HydrophobicContact CG1-CD2 4.25Å; V196-F229 HydrophobicContact CG2-CD2 4.02Å; V196-F229 HydrophobicContact CG2-CE2 4.11Å; L225-F229 VanDerWaalsContact O-CD2 3.28Å; L225-F229 WeakPolarHBondContact O-CD2 3.26Å; L225-F229 PolarHBondContact O-N 2.66Å; V226-F229 CarbonylContact O-C 3.59Å; V226-F229 PolarHBondContact O-N 3.3Å; F229-D231 PolarHBondContact O-N 3.3Å; F229-W235 VanDerWaalsContact O-CZ3 3.24Å; F229-W235 WeakPolarHBondContact O-CZ3 3.43Å; F229-L238 HydrophobicContact CD1-CD1 4.07Å; F229-L238 HydrophobicContact CD1-CD2 4.19Å; F229-L238 HydrophobicContact CE1-CD1 3.89Å; F229-L238 HydrophobicContact CE1-CD2 4.49Å
230S89.7Confident93.9Very high17 Ų1760.9 Ų60.912%0.11929%0.294CS..  trans-74.9125.5174.8-178.90000110.4V226 K227 L228 S232 R395V226-S230 PolarHBondContact O-N 3.08Å; K227-S230 WeakPolarHBondContact O-CB 3.5Å; K227-S230 PolarHBondContact O-N 3.17Å; L228-S230 PolarHBondContact O-N 2.91Å; S230-S232 PolarHBondContact O-N 3.29Å; S230-S232 VanDerWaalsContact O-N 3.16Å; S230-S232 PolarHBondContact OG-OG 2.61Å; S230-R395 PolarHBondContact OG-NH1 2.91Å
231D82.9Confident93.9Very high52 Ų5260 Ų6028%0.27829%0.286SS..  trans-69.2-2174.468.47.8000114.8F229 S233 N234 W235 R395F229-D231 PolarHBondContact O-N 3.3Å; D231-S233 PolarHBondContact O-N 3.08Å; D231-N234 PolarHBondContact O-N 3.23Å; D231-W235 HydrophobicContact CB-CD2 3.92Å; D231-W235 HydrophobicContact CB-CE3 4.24Å; D231-W235 HydrophobicContact CB-CH2 3.91Å; D231-W235 HydrophobicContact CB-CZ2 3.58Å; D231-W235 HydrophobicContact CB-CZ3 4.24Å; D231-W235 PolarHBondContact O-N 2.87Å; D231-W235 VanDerWaalsContact O-N 3.15Å; D231-R395 IonicContact OD1-CZ 3.14Å; D231-R395 IonicContact OD1-NE 2.73Å; D231-R395 PolarHBondContact OD1-NE 3.38Å; D231-R395 IonicContact OD1-NH1 2.66Å; D231-R395 PolarHBondContact OD1-NH1 3.08Å; D231-R395 IonicContact OD1-NH2 2.74Å; D231-R395 PolarHBondContact OD1-NH2 3.31Å; D231-R395 VanDerWaalsContact OD1-NH2 3.08Å; D231-R395 WeakPolarHBondContact OD2-CD 3.43Å; D231-R395 WeakPolarHBondContact OD2-CG 3.15Å; D231-R395 IonicContact OD2-CZ 3.64Å; D231-R395 IonicContact OD2-NE 2.67Å; D231-R395 IonicContact OD2-NH1 3.82Å
232S83.2Confident93.9Very high51 Ų5159.3 Ų59.336%0.35728%0.281SS..Hα-helixtrans-57137.6-178-74.60000111.3S230 N234 W235 E236 R395S230-S232 PolarHBondContact O-N 3.29Å; S230-S232 VanDerWaalsContact O-N 3.16Å; S230-S232 PolarHBondContact OG-OG 2.61Å; S232-N234 PolarHBondContact O-N 3.46Å; S232-W235 PolarHBondContact O-N 3.16Å; S232-E236 PolarHBondContact O-N 3.33Å; S232-R395 PolarHBondContact OG-NH2 3.29Å
233S89Confident93.7Very high93 Ų9366.1 Ų66.165%0.6531%0.313SS*.Hα-helixtrans55.446.7-178.6-54.60000112.9D231 W235 E236D231-S233 PolarHBondContact O-N 3.08Å; S233-W235 PolarHBondContact O-N 2.91Å; S233-E236 PolarHBondContact O-N 3.29Å
234N86.5Confident93.6Very high61 Ų6165.2 Ų65.233%0.32632%0.316SS..Hα-helixtrans52.753.7-175.7-177.225.4000111.7D231 S232 E236 R239D231-N234 PolarHBondContact O-N 3.23Å; S232-N234 PolarHBondContact O-N 3.46Å; N234-E236 VanDerWaalsContact C-N 3.3Å; N234-E236 PolarHBondContact O-N 3.14Å; N234-R239 PolarHBondContact ND2-NH2 2.85Å; N234-R239 WeakPolarHBondContact O-CD 3.12Å; N234-R239 PolarHBondContact O-NE 3.46Å; N234-R239 PolarHBondContact OD1-NH2 3.24Å
235W89.9Confident93.4Very high31 Ų3158.3 Ų58.312%0.11729%0.291CS..Hα-helixtrans61.431.2176.7-53.988.8000114.9F193 F229 D231 S232 S233 R237 L238 R239 Y252 L255F193-W235 AromaticContact CE1-CH2 3.54Å; F193-W235 HydrophobicContact CE1-CH2 3.54Å; F193-W235 AromaticContact CE1-CZ3 3.54Å; F193-W235 HydrophobicContact CE1-CZ3 3.54Å; F193-W235 AromaticContact CZ-CH2 3.55Å; F193-W235 HydrophobicContact CZ-CH2 3.55Å; F193-W235 AromaticContact CZ-CZ3 3.61Å; F193-W235 HydrophobicContact CZ-CZ3 3.61Å; F229-W235 VanDerWaalsContact O-CZ3 3.24Å; F229-W235 WeakPolarHBondContact O-CZ3 3.43Å; D231-W235 HydrophobicContact CB-CD2 3.92Å; D231-W235 HydrophobicContact CB-CE3 4.24Å; D231-W235 HydrophobicContact CB-CH2 3.91Å; D231-W235 HydrophobicContact CB-CZ2 3.58Å; D231-W235 HydrophobicContact CB-CZ3 4.24Å; D231-W235 PolarHBondContact O-N 2.87Å; D231-W235 VanDerWaalsContact O-N 3.15Å; S232-W235 PolarHBondContact O-N 3.16Å; S233-W235 PolarHBondContact O-N 2.91Å; W235-R237 VanDerWaalsContact C-N 3.26Å; W235-R237 PolarHBondContact O-N 2.83Å; W235-R237 VanDerWaalsContact O-N 3.08Å; W235-L238 HydrophobicContact CB-CB 4.37Å; W235-L238 HydrophobicContact CE3-CD2 4.05Å; W235-L238 PolarHBondContact O-N 3.25Å; W235-R239 HydrophobicContact CB-CG 4.47Å; W235-R239 WeakPolarHBondContact O-CG 2.89Å; W235-R239 PolarHBondContact O-N 3.21Å; W235-Y252 HydrophobicContact CH2-CE1 4.35Å; W235-Y252 HydrophobicContact CZ2-CE1 4.5Å; W235-Y252 HydrophobicContact CZ3-CE1 4.47Å; W235-L255 HydrophobicContact CB-CD1 3.54Å; W235-L255 HydrophobicContact CG-CD1 3.79Å
236E94.9Very high93.1Very high83 Ų8366.2 Ų66.239%0.38833%0.325SS..Hα-helixtrans-48.6-44.2-172.7-178.5-171.8-17600113.4S232 S233 N234 R239 K240S232-E236 PolarHBondContact O-N 3.33Å; S233-E236 PolarHBondContact O-N 3.29Å; N234-E236 VanDerWaalsContact C-N 3.3Å; N234-E236 PolarHBondContact O-N 3.14Å; E236-R239 PolarHBondContact O-N 3.12Å; E236-K240 HydrophobicContact CG-CD 4.28Å; E236-K240 WeakPolarHBondContact O-CB 3.47Å; E236-K240 WeakPolarHBondContact O-CG 3.4Å; E236-K240 PolarHBondContact O-N 2.87Å; E236-K240 WeakPolarHBondContact OE1-CE 3.3Å; E236-K240 IonicContact OE1-NZ 2.63Å; E236-K240 PolarHBondContact OE1-NZ 3.17Å
237R96.6Very high93.3Very high114 Ų11468.4 Ų68.443%0.4334%0.335SS..Hα-helixtrans-68.1-42.4-178.6-67.9-169.9-171.1102.59112.5K227 W235 Y241K227-R237 WeakPolarHBondContact O-CD 3.29Å; W235-R237 VanDerWaalsContact C-N 3.26Å; W235-R237 PolarHBondContact O-N 2.83Å; W235-R237 VanDerWaalsContact O-N 3.08Å; R237-Y241 WeakPolarHBondContact O-CB 3.38Å; R237-Y241 PolarHBondContact O-N 3.39Å
238L95.6Very high93.4Very high0 Ų064.7 Ų64.70%032%0.323CS..Hα-helixtrans-66.5-43177.8-175.861.2000110.4I189 L228 F229 W235 Y241 M242 Y252 L255I189-L238 HydrophobicContact CG2-CD1 3.85Å; L228-L238 HydrophobicContact CD1-CD1 4.36Å; L228-L238 HydrophobicContact CG-CD1 4.45Å; F229-L238 HydrophobicContact CD1-CD1 4.07Å; F229-L238 HydrophobicContact CD1-CD2 4.19Å; F229-L238 HydrophobicContact CE1-CD1 3.89Å; F229-L238 HydrophobicContact CE1-CD2 4.49Å; W235-L238 HydrophobicContact CB-CB 4.37Å; W235-L238 HydrophobicContact CE3-CD2 4.05Å; W235-L238 PolarHBondContact O-N 3.25Å; L238-Y241 WeakPolarHBondContact O-CB 3.34Å; L238-Y241 PolarHBondContact O-N 2.94Å; L238-Y241 VanDerWaalsContact O-N 3.14Å; L238-M242 HydrophobicContact CG-CG 4.49Å; L238-M242 VanDerWaalsContact O-CG 3.3Å; L238-M242 WeakPolarHBondContact O-CG 3.35Å; L238-M242 PolarHBondContact O-N 3.31Å; L238-Y252 HydrophobicContact CD2-CD1 3.76Å; L238-L255 HydrophobicContact CD2-CD2 4.31Å; L238-L255 HydrophobicContact CG-CD2 4.32Å
239R97.3Very high93.4Very high53 Ų5363.3 Ų63.320%0.232%0.316CS..Hα-helixtrans-58.3-50.2176.2-67.9-178.6-172.7-84.92.2111.8N234 W235 E236 Y241 M242 E243 L255 D259N234-R239 PolarHBondContact ND2-NH2 2.85Å; N234-R239 WeakPolarHBondContact O-CD 3.12Å; N234-R239 PolarHBondContact O-NE 3.46Å; N234-R239 PolarHBondContact OD1-NH2 3.24Å; W235-R239 HydrophobicContact CB-CG 4.47Å; W235-R239 WeakPolarHBondContact O-CG 2.89Å; W235-R239 PolarHBondContact O-N 3.21Å; E236-R239 PolarHBondContact O-N 3.12Å; R239-Y241 VanDerWaalsContact C-N 3.28Å; R239-Y241 PolarHBondContact O-N 3.46Å; R239-M242 PolarHBondContact O-N 2.9Å; R239-M242 VanDerWaalsContact O-N 3.17Å; R239-E243 WeakPolarHBondContact O-CG 3.29Å; R239-E243 PolarHBondContact O-N 3.02Å; R239-L255 HydrophobicContact CG-CD1 3.86Å; R239-L255 HydrophobicContact CG-CD2 4.14Å; R239-L255 HydrophobicContact CG-CG 4.46Å; R239-D259 IonicContact CZ-OD1 3.75Å; R239-D259 VanDerWaalsContact CZ-OD1 3.31Å; R239-D259 IonicContact CZ-OD2 2.79Å; R239-D259 VanDerWaalsContact NH1-CG 3.35Å; R239-D259 IonicContact NH1-OD1 3.38Å; R239-D259 PolarHBondContact NH1-OD1 3.28Å; R239-D259 VanDerWaalsContact NH1-OD1 3.12Å; R239-D259 IonicContact NH1-OD2 2.64Å; R239-D259 PolarHBondContact NH1-OD2 3.27Å; R239-D259 IonicContact NH2-OD1 3.5Å; R239-D259 PolarHBondContact NH2-OD1 3.43Å; R239-D259 IonicContact NH2-OD2 3.95Å
240K97.9Very high93.8Very high112 Ų11263 Ų6349%0.48732%0.315SS..Hα-helixtrans-59.5-38.1174.4-73.2-179.6-174.8176.20112.5E236 E243 T244E236-K240 HydrophobicContact CG-CD 4.28Å; E236-K240 WeakPolarHBondContact O-CB 3.47Å; E236-K240 WeakPolarHBondContact O-CG 3.4Å; E236-K240 PolarHBondContact O-N 2.87Å; E236-K240 WeakPolarHBondContact OE1-CE 3.3Å; E236-K240 IonicContact OE1-NZ 2.63Å; E236-K240 PolarHBondContact OE1-NZ 3.17Å; K240-E243 PolarHBondContact O-N 3.16Å; K240-T244 WeakPolarHBondContact O-CG2 3.44Å
241Y98.2Very high94.2Very high61 Ų6162.2 Ų62.224%0.23931%0.309CS..Hα-helixtrans-65-46.2175.8-176-107.1000111.2I184 I189 L228 R237 L238 R239 E243 T244 I245I184-Y241 HydrophobicContact CG2-CE1 4.47Å; I184-Y241 VanDerWaalsContact CG2-OH 3.3Å; I184-Y241 WeakPolarHBondContact CG2-OH 3.47Å; I189-Y241 HydrophobicContact CD1-CD1 4.47Å; I189-Y241 HydrophobicContact CD1-CE1 3.74Å; L228-Y241 HydrophobicContact CD1-CD1 4.06Å; L228-Y241 HydrophobicContact CD1-CD2 4.28Å; L228-Y241 HydrophobicContact CD1-CG 3.72Å; L228-Y241 HydrophobicContact CD2-CD1 4.31Å; L228-Y241 HydrophobicContact CD2-CE1 4.45Å; R237-Y241 WeakPolarHBondContact O-CB 3.38Å; R237-Y241 PolarHBondContact O-N 3.39Å; L238-Y241 WeakPolarHBondContact O-CB 3.34Å; L238-Y241 PolarHBondContact O-N 2.94Å; L238-Y241 VanDerWaalsContact O-N 3.14Å; R239-Y241 VanDerWaalsContact C-N 3.28Å; R239-Y241 PolarHBondContact O-N 3.46Å; Y241-E243 VanDerWaalsContact C-N 3.26Å; Y241-E243 PolarHBondContact O-N 2.71Å; Y241-T244 WeakPolarHBondContact O-CB 3.36Å; Y241-T244 PolarHBondContact O-N 3.18Å; Y241-T244 PolarHBondContact O-OG1 3.39Å; Y241-I245 HydrophobicContact CD1-CD1 3.7Å; Y241-I245 HydrophobicContact CD1-CG1 4.26Å; Y241-I245 HydrophobicContact CE1-CD1 3.39Å; Y241-I245 HydrophobicContact CE1-CG1 3.93Å; Y241-I245 WeakPolarHBondContact O-CG1 3.49Å; Y241-I245 PolarHBondContact O-N 2.61Å
242M97.4Very high94.9Very high7 Ų759.8 Ų59.83%0.03430%0.296CS..Hα-helixtrans-58.4-35.7176.7-65.6-56.5-58.100112.5I189 L238 R239 T244 I245 P251 L255 Y292I189-M242 HydrophobicContact CB-SD 4.4Å; I189-M242 HydrophobicContact CG1-SD 3.9Å; I189-M242 HydrophobicContact CG2-SD 4.19Å; L238-M242 HydrophobicContact CG-CG 4.49Å; L238-M242 VanDerWaalsContact O-CG 3.3Å; L238-M242 WeakPolarHBondContact O-CG 3.35Å; L238-M242 PolarHBondContact O-N 3.31Å; R239-M242 PolarHBondContact O-N 2.9Å; R239-M242 VanDerWaalsContact O-N 3.17Å; M242-T244 PolarHBondContact O-N 2.75Å; M242-I245 HydrophobicContact CE-CD1 4.23Å; M242-I245 PolarHBondContact O-N 3.32Å; M242-I245 HydrophobicContact SD-CD1 3.78Å; M242-P251 HydrophobicContact CE-CB 3.73Å; M242-L255 HydrophobicContact CG-CD2 4.18Å; M242-Y292 HydrophobicContact CE-CE1 4.13Å; M242-Y292 HydrophobicContact CE-CE2 4.11Å; M242-Y292 PolarHBondContact O-OH 3.36Å
243E95.4Very high95.5Very high159 Ų15957.4 Ų57.474%0.74328%0.279SS*.Hα-helixtrans-62.2-23.1174.2-69.6167.1-169.600113.4R239 K240 Y241R239-E243 WeakPolarHBondContact O-CG 3.29Å; R239-E243 PolarHBondContact O-N 3.02Å; K240-E243 PolarHBondContact O-N 3.16Å; Y241-E243 VanDerWaalsContact C-N 3.26Å; Y241-E243 PolarHBondContact O-N 2.71Å
244T96Very high95.4Very high102 Ų10253 Ų5363%0.62625%0.248SC*.Hα-helixtrans-89.7-14.9178.568.50000114K240 Y241 M242K240-T244 WeakPolarHBondContact O-CG2 3.44Å; Y241-T244 WeakPolarHBondContact O-CB 3.36Å; Y241-T244 PolarHBondContact O-N 3.18Å; Y241-T244 PolarHBondContact O-OG1 3.39Å; M242-T244 PolarHBondContact O-N 2.75Å
245I95Very high95.6Very high19 Ų1950.2 Ų50.210%0.09723%0.234CC..PPolyproline II helixtrans-82.4135.4-174.1-62.7173.3000110.4N187 I189 Y241 M242 C249N187-I245 HydrophobicContact CB-CG2 3.99Å; I189-I245 HydrophobicContact CD1-CD1 3.92Å; I189-I245 HydrophobicContact CG1-CD1 3.95Å; Y241-I245 HydrophobicContact CD1-CD1 3.7Å; Y241-I245 HydrophobicContact CD1-CG1 4.26Å; Y241-I245 HydrophobicContact CE1-CD1 3.39Å; Y241-I245 HydrophobicContact CE1-CG1 3.93Å; Y241-I245 WeakPolarHBondContact O-CG1 3.49Å; Y241-I245 PolarHBondContact O-N 2.61Å; M242-I245 HydrophobicContact CE-CD1 4.23Å; M242-I245 PolarHBondContact O-N 3.32Å; M242-I245 HydrophobicContact SD-CD1 3.78Å; I245-C249 HydrophobicContact CG2-CB 3.61Å
246K91.8Very high95.9Very high176 Ų17649.6 Ų49.677%0.76523%0.231SC*.PPolyproline II helixtrans-103.1162166.7-62.9-178.2-178.6179.10109.9N187N187-K246 PolarHBondContact ND2-O 2.92Å
247L96.5Very high95.8Very high86 Ų8645.7 Ų45.745%0.4521%0.213SC..SBendtrans-61146.6172.7-56.6-178.4000111.1D291 Y292 C294 S295L247-D291 WeakPolarHBondContact CD1-O 3.09Å; L247-D291 WeakPolarHBondContact CD2-O 3.17Å; L247-Y292 HydrophobicContact CD2-CD1 3.86Å; L247-C294 HydrophobicContact CD1-CB 4.13Å; L247-S295 WeakPolarHBondContact CD2-OG 3.34Å
248P98.3Very high95.3Very high46 Ų4641.2 Ų41.230%0.29920%0.198SC..SBendcis-77.5150-0.434.1-36.5000112.8N187 T296 Y297N187-P248 WeakPolarHBondContact CB-O 3.32Å; N187-P248 PolarHBondContact ND2-O 2.86Å; P248-T296 WeakPolarHBondContact CB-O 3.31Å; P248-T296 WeakPolarHBondContact CG-O 3.43Å; P248-Y297 HydrophobicContact CB-CD1 4.22Å; P248-Y297 HydrophobicContact CB-CD2 4.24Å; P248-Y297 HydrophobicContact CB-CE1 3.83Å; P248-Y297 HydrophobicContact CB-CE2 3.88Å; P248-Y297 HydrophobicContact CB-CG 4.43Å; P248-Y297 HydrophobicContact CG-CD1 3.99Å; P248-Y297 HydrophobicContact CG-CE1 3.69Å
249C98.5Very high95.2Very high0 Ų042.6 Ų42.60%021%0.206CC..  trans-154.7137.2175.2177.70000111.4N187 I245 Y292 S295 Y297N187-C249 HydrophobicContact CB-CB 3.94Å; N187-C249 WeakPolarHBondContact O-CA 3.39Å; N187-C249 PolarHBondContact O-SG 3.41Å; I245-C249 HydrophobicContact CG2-CB 3.61Å; C249-Y292 HydrophobicContact CB-CD1 3.79Å; C249-Y292 HydrophobicContact CB-CE1 3.95Å; C249-S295 PolarHBondContact N-OG 3.48Å; C249-S295 PolarHBondContact O-OG 3.13Å; C249-Y297 WeakPolarHBondContact CA-OH 3.39Å; C249-Y297 PolarHBondContact N-OH 3.3Å
250I98.8Very high95Very high0 Ų040 Ų400%020%0.196CC..BIsolated β-bridgetrans-107.5105166.1-55178.3000107.3T110 D113 L114 F117 F145 N187 N188 I189 H190 Y297T110-I250 HydrophobicContact CG2-CD1 3.93Å; D113-I250 HydrophobicContact CB-CD1 3.65Å; D113-I250 HydrophobicContact CB-CG2 4.37Å; L114-I250 HydrophobicContact CB-CD1 3.87Å; L114-I250 HydrophobicContact CD1-CD1 4.2Å; L114-I250 HydrophobicContact CD1-CG1 4.08Å; F117-I250 HydrophobicContact CB-CG2 4.38Å; F117-I250 HydrophobicContact CD1-CG2 4.46Å; F117-I250 HydrophobicContact CG-CG2 4.35Å; F145-I250 HydrophobicContact CE2-CG2 4.39Å; F145-I250 HydrophobicContact CZ-CG2 3.65Å; N187-I250 PolarHBondContact O-N 3.48Å; N188-I250 HydrophobicContact CB-CB 4.5Å; I189-I250 WeakPolarHBondContact CB-O 3.04Å; I189-I250 PolarHBondContact N-O 3.41Å; H190-I250 HydrophobicContact CB-CG2 3.96Å; H190-I250 PolarHBondContact N-O 2.86Å; I250-Y297 HydrophobicContact CD1-CE2 4.05Å; I250-Y297 HydrophobicContact CG1-CE2 3.87Å; I250-Y297 PolarHBondContact N-OH 3.46Å
251P98.3Very high94.4Very high0 Ų036.5 Ų36.50%018%0.184CC..  trans-70.7152.6-176.727.1-33.2000111.8F117 M242 L253 Y256 L289 Y292F117-P251 HydrophobicContact CE1-CG 4.14Å; F117-P251 HydrophobicContact CE2-CG 3.7Å; F117-P251 VanDerWaalsContact CZ-CD 3.48Å; F117-P251 HydrophobicContact CZ-CG 3.45Å; F117-P251 VanDerWaalsContact CZ-CG 3.45Å; M242-P251 HydrophobicContact CE-CB 3.73Å; P251-L253 PolarHBondContact O-N 3.42Å; P251-Y256 HydrophobicContact CB-CD2 4.37Å; P251-Y256 HydrophobicContact CB-CE2 3.63Å; P251-Y256 HydrophobicContact CG-CE2 4.36Å; P251-L289 HydrophobicContact CG-CD2 4.26Å; P251-Y292 HydrophobicContact CB-CD2 4.29Å; P251-Y292 HydrophobicContact CG-CD2 3.97Å; P251-Y292 HydrophobicContact CG-CG 4.11Å
252Y97.4Very high94Very high2 Ų238.4 Ų38.41%0.00819%0.191CC..  trans-65.9107.4162.2164.5-128.1000109.3F149 F193 W235 L238 G254 L255 H397 L399F149-Y252 HydrophobicContact CE2-CD2 4.4Å; F149-Y252 HydrophobicContact CE2-CE2 4.47Å; F193-Y252 AromaticContact CD1-CD1 3.8Å; F193-Y252 HydrophobicContact CD1-CD1 3.8Å; F193-Y252 AromaticContact CD1-CD2 3.9Å; F193-Y252 HydrophobicContact CD1-CD2 3.9Å; F193-Y252 AromaticContact CD1-CE1 3.94Å; F193-Y252 HydrophobicContact CD1-CE1 3.94Å; F193-Y252 HydrophobicContact CD1-CE2 4.12Å; F193-Y252 AromaticContact CD1-CG 3.78Å; F193-Y252 HydrophobicContact CD1-CG 3.78Å; F193-Y252 HydrophobicContact CE1-CD1 4.02Å; F193-Y252 AromaticContact CE1-CE1 3.74Å; F193-Y252 HydrophobicContact CE1-CE1 3.74Å; F193-Y252 HydrophobicContact CE1-CE2 4.39Å; F193-Y252 HydrophobicContact CE1-CG 4.43Å; F193-Y252 AromaticContact CE1-CZ 3.97Å; W235-Y252 HydrophobicContact CH2-CE1 4.35Å; W235-Y252 HydrophobicContact CZ2-CE1 4.5Å; W235-Y252 HydrophobicContact CZ3-CE1 4.47Å; L238-Y252 HydrophobicContact CD2-CD1 3.76Å; Y252-G254 VanDerWaalsContact C-N 3.31Å; Y252-G254 VanDerWaalsContact CE2-CA 3.49Å; Y252-G254 PolarHBondContact O-N 3.47Å; Y252-G254 VanDerWaalsContact OH-CA 3.29Å; Y252-G254 WeakPolarHBondContact OH-CA 3.19Å; Y252-L255 HydrophobicContact CD1-CB 3.9Å; Y252-L255 HydrophobicContact CE1-CB 4.21Å; Y252-L255 VanDerWaalsContact CE1-N 3.28Å; Y252-L255 WeakPolarHBondContact O-CB 3.41Å; Y252-L255 PolarHBondContact O-N 3.31Å; Y252-H397 AromaticContact CD2-NE2 3.78Å; Y252-H397 AromaticContact CE1-NE2 3.72Å; Y252-H397 AromaticContact CE2-CE1 3.12Å; Y252-H397 WeakPolarHBondContact CE2-CE1 3.41Å; Y252-H397 AromaticContact CE2-NE2 2.89Å; Y252-H397 WeakPolarHBondContact CE2-NE2 3.45Å; Y252-H397 AromaticContact CZ-CD2 3.62Å; Y252-H397 AromaticContact CZ-CE1 3.43Å; Y252-H397 VanDerWaalsContact CZ-CE1 3.43Å; Y252-H397 AromaticContact CZ-NE2 2.83Å; Y252-H397 PolarHBondContact OH-CD2 3.37Å; Y252-H397 PolarHBondContact OH-CE1 2.97Å; Y252-H397 VanDerWaalsContact OH-CE1 3.25Å; Y252-H397 PolarHBondContact OH-NE2 3.4Å; Y252-L399 HydrophobicContact CD2-CD1 4.23Å; Y252-L399 HydrophobicContact CE2-CD1 3.68Å; Y252-L399 HydrophobicContact CE2-CG 3.93Å
253L95.5Very high93.6Very high1 Ų139 Ų391%0.00519%0.194CC..Hα-helixtrans-61.2-36.9-171.8179.863.4000113I120 L125 V142 F145 P251 L255 Y256 L257I120-L253 HydrophobicContact CD1-CD1 4.32Å; I120-L253 HydrophobicContact CD1-CD2 3.67Å; L125-L253 HydrophobicContact CD2-CD1 4.4Å; V142-L253 HydrophobicContact CG1-CD2 4.17Å; F145-L253 HydrophobicContact CB-CD2 4.4Å; F145-L253 HydrophobicContact CD1-CB 3.73Å; F145-L253 HydrophobicContact CD1-CD2 3.68Å; F145-L253 HydrophobicContact CD1-CG 4.29Å; F145-L253 HydrophobicContact CE1-CB 3.82Å; P251-L253 PolarHBondContact O-N 3.42Å; L253-L255 PolarHBondContact O-N 3.22Å; L253-L255 VanDerWaalsContact O-N 3.14Å; L253-Y256 PolarHBondContact O-N 2.86Å; L253-L257 HydrophobicContact CD1-CD2 4.37Å; L253-L257 HydrophobicContact CD1-CG 4.41Å; L253-L257 HydrophobicContact CD2-CD1 4.2Å; L253-L257 HydrophobicContact CD2-CG 4.47Å; L253-L257 HydrophobicContact CG-CD1 4.04Å; L253-L257 HydrophobicContact CG-CD2 4.25Å; L253-L257 HydrophobicContact CG-CG 3.92Å; L253-L257 PolarHBondContact O-N 3.21Å
254G87.8Confident93.2Very high0 Ų033.6 Ų33.60%017%0.17CC..Hα-helixtrans-66.9-17.2-174.600000114.5Y252 T258Y252-G254 VanDerWaalsContact C-N 3.31Å; Y252-G254 VanDerWaalsContact CE2-CA 3.49Å; Y252-G254 PolarHBondContact O-N 3.47Å; Y252-G254 VanDerWaalsContact OH-CA 3.29Å; Y252-G254 WeakPolarHBondContact OH-CA 3.19Å; G254-T258 PolarHBondContact O-N 3.33Å; G254-T258 VanDerWaalsContact O-N 3.11Å; G254-T258 PolarHBondContact O-OG1 3.4Å
255L90.9Very high92.7Very high3 Ų334.3 Ų34.32%0.01617%0.169CC..Hα-helixtrans-59.3-47.4167.4-177.666.1000111.1W235 L238 R239 M242 Y252 L253 T258 D259W235-L255 HydrophobicContact CB-CD1 3.54Å; W235-L255 HydrophobicContact CG-CD1 3.79Å; L238-L255 HydrophobicContact CD2-CD2 4.31Å; L238-L255 HydrophobicContact CG-CD2 4.32Å; R239-L255 HydrophobicContact CG-CD1 3.86Å; R239-L255 HydrophobicContact CG-CD2 4.14Å; R239-L255 HydrophobicContact CG-CG 4.46Å; M242-L255 HydrophobicContact CG-CD2 4.18Å; Y252-L255 HydrophobicContact CD1-CB 3.9Å; Y252-L255 HydrophobicContact CE1-CB 4.21Å; Y252-L255 VanDerWaalsContact CE1-N 3.28Å; Y252-L255 WeakPolarHBondContact O-CB 3.41Å; Y252-L255 PolarHBondContact O-N 3.31Å; L253-L255 PolarHBondContact O-N 3.22Å; L253-L255 VanDerWaalsContact O-N 3.14Å; L255-T258 WeakPolarHBondContact O-CB 3.27Å; L255-T258 PolarHBondContact O-N 2.9Å; L255-D259 PolarHBondContact O-N 3.49Å
256Y95.9Very high92.4Very high18 Ų1836.6 Ų36.67%0.07119%0.191CC..Hα-helixtrans-79.5-33.9-177-59.9-83.5000112.1P251 L253 T258 D259 F260 I285 V288 L289 Y292P251-Y256 HydrophobicContact CB-CD2 4.37Å; P251-Y256 HydrophobicContact CB-CE2 3.63Å; P251-Y256 HydrophobicContact CG-CE2 4.36Å; L253-Y256 PolarHBondContact O-N 2.86Å; Y256-T258 PolarHBondContact O-N 3.33Å; Y256-D259 WeakPolarHBondContact O-CB 3.31Å; Y256-D259 PolarHBondContact O-N 2.71Å; Y256-D259 VanDerWaalsContact O-N 3.08Å; Y256-F260 WeakPolarHBondContact O-CD2 3.4Å; Y256-F260 PolarHBondContact O-N 3.47Å; Y256-I285 HydrophobicContact CD1-CG2 3.94Å; Y256-I285 HydrophobicContact CG-CG2 4.46Å; Y256-V288 HydrophobicContact CE1-CG1 3.83Å; Y256-L289 HydrophobicContact CD1-CD2 4.2Å; Y256-L289 HydrophobicContact CD1-CG 4.41Å; Y256-L289 HydrophobicContact CD2-CD2 3.76Å; Y256-L289 HydrophobicContact CE2-CD2 4.18Å; Y256-L289 HydrophobicContact CG-CD1 4.48Å; Y256-L289 HydrophobicContact CG-CD2 3.77Å; Y256-L289 HydrophobicContact CG-CG 4.28Å; Y256-Y292 VanDerWaalsContact OH-CE2 3.26Å; Y256-Y292 WeakPolarHBondContact OH-CE2 3.44Å
257L93.4Very high92.1Very high0 Ų030.3 Ų30.30%016%0.164CC..Hα-helixtrans-60.3-36.1171.3-61.7-179.1000111.5L125 W130 V142 I146 L253 D259 F260 V261 L398 L399L125-L257 HydrophobicContact CD2-CD2 3.48Å; L125-L257 VanDerWaalsContact CD2-CD2 3.48Å; W130-L257 HydrophobicContact CD2-CD2 4.03Å; W130-L257 HydrophobicContact CE3-CD2 3.91Å; W130-L257 HydrophobicContact CH2-CB 4.17Å; W130-L257 HydrophobicContact CH2-CD2 3.71Å; W130-L257 HydrophobicContact CH2-CG 4.48Å; W130-L257 HydrophobicContact CZ2-CB 3.72Å; W130-L257 HydrophobicContact CZ2-CD1 4.49Å; W130-L257 HydrophobicContact CZ2-CD2 3.82Å; W130-L257 HydrophobicContact CZ2-CG 4.19Å; W130-L257 HydrophobicContact CZ3-CD2 3.71Å; V142-L257 HydrophobicContact CG1-CD1 4.28Å; V142-L257 HydrophobicContact CG1-CD2 4.3Å; I146-L257 HydrophobicContact CD1-CD1 4.31Å; L253-L257 HydrophobicContact CD1-CD2 4.37Å; L253-L257 HydrophobicContact CD1-CG 4.41Å; L253-L257 HydrophobicContact CD2-CD1 4.2Å; L253-L257 HydrophobicContact CD2-CG 4.47Å; L253-L257 HydrophobicContact CG-CD1 4.04Å; L253-L257 HydrophobicContact CG-CD2 4.25Å; L253-L257 HydrophobicContact CG-CG 3.92Å; L253-L257 PolarHBondContact O-N 3.21Å; L257-D259 VanDerWaalsContact C-N 3.29Å; L257-D259 PolarHBondContact O-N 3.13Å; L257-F260 PolarHBondContact O-N 3.34Å; L257-V261 WeakPolarHBondContact O-CG2 3.43Å; L257-V261 PolarHBondContact O-N 3.46Å; L257-L398 HydrophobicContact CB-CD2 3.42Å; L257-L398 VanDerWaalsContact CB-CD2 3.42Å; L257-L398 HydrophobicContact CD1-CD2 4.03Å; L257-L398 HydrophobicContact CG-CD2 4.34Å; L257-L399 HydrophobicContact CD1-CD2 3.84Å
258T86.4Confident91.6Very high20 Ų2029.9 Ų29.912%0.12317%0.167CC..Hα-helixtrans-60.5-40.9173.6-56.50000111.1G254 L255 Y256 V261 Y262G254-T258 PolarHBondContact O-N 3.33Å; G254-T258 VanDerWaalsContact O-N 3.11Å; G254-T258 PolarHBondContact O-OG1 3.4Å; L255-T258 WeakPolarHBondContact O-CB 3.27Å; L255-T258 PolarHBondContact O-N 2.9Å; Y256-T258 PolarHBondContact O-N 3.33Å; T258-V261 PolarHBondContact O-N 2.97Å; T258-Y262 HydrophobicContact CG2-CD2 4.47Å; T258-Y262 HydrophobicContact CG2-CE1 4.1Å; T258-Y262 HydrophobicContact CG2-CE2 4.04Å; T258-Y262 PolarHBondContact O-N 2.87Å
259D92.2Very high90.8Very high29 Ų2930.7 Ų30.716%0.15517%0.173CC..Hα-helixtrans-68.6-40.4178.8-62.2-22000111.9R239 L255 Y256 L257 V261 Y262 I263 I285R239-D259 IonicContact CZ-OD1 3.75Å; R239-D259 VanDerWaalsContact CZ-OD1 3.31Å; R239-D259 IonicContact CZ-OD2 2.79Å; R239-D259 VanDerWaalsContact NH1-CG 3.35Å; R239-D259 IonicContact NH1-OD1 3.38Å; R239-D259 PolarHBondContact NH1-OD1 3.28Å; R239-D259 VanDerWaalsContact NH1-OD1 3.12Å; R239-D259 IonicContact NH1-OD2 2.64Å; R239-D259 PolarHBondContact NH1-OD2 3.27Å; R239-D259 IonicContact NH2-OD1 3.5Å; R239-D259 PolarHBondContact NH2-OD1 3.43Å; R239-D259 IonicContact NH2-OD2 3.95Å; L255-D259 PolarHBondContact O-N 3.49Å; Y256-D259 WeakPolarHBondContact O-CB 3.31Å; Y256-D259 PolarHBondContact O-N 2.71Å; Y256-D259 VanDerWaalsContact O-N 3.08Å; L257-D259 VanDerWaalsContact C-N 3.29Å; L257-D259 PolarHBondContact O-N 3.13Å; D259-V261 VanDerWaalsContact C-N 3.33Å; D259-V261 PolarHBondContact O-N 2.58Å; D259-Y262 PolarHBondContact O-N 3.42Å; D259-I263 WeakPolarHBondContact O-CG1 3.25Å; D259-I263 PolarHBondContact O-N 2.93Å; D259-I285 HydrophobicContact CB-CD1 3.51Å; D259-I285 HydrophobicContact CB-CG1 4.42Å
260F93Very high89.7Confident0 Ų035.2 Ų35.20%021%0.205CC..Hα-helixtrans-58.5-44.3171.7-80.6-71.3000111.9L125 T126 W130 Y256 L257 I263 D264 M282 I285 L286 L289L125-F260 HydrophobicContact CB-CD2 4.29Å; L125-F260 HydrophobicContact CB-CE1 4.19Å; L125-F260 HydrophobicContact CB-CE2 3.77Å; L125-F260 HydrophobicContact CB-CZ 3.73Å; L125-F260 HydrophobicContact CD1-CE2 4.08Å; L125-F260 HydrophobicContact CD1-CZ 4.27Å; L125-F260 HydrophobicContact CD2-CE2 4.3Å; L125-F260 HydrophobicContact CG-CE2 4.28Å; T126-F260 HydrophobicContact CG2-CE1 4.46Å; W130-F260 HydrophobicContact CH2-CB 3.81Å; W130-F260 HydrophobicContact CZ3-CB 4.48Å; Y256-F260 WeakPolarHBondContact O-CD2 3.4Å; Y256-F260 PolarHBondContact O-N 3.47Å; L257-F260 PolarHBondContact O-N 3.34Å; F260-I263 PolarHBondContact O-N 3.15Å; F260-D264 WeakPolarHBondContact O-CB 3.49Å; F260-D264 PolarHBondContact O-N 2.77Å; F260-M282 HydrophobicContact CD1-CB 4.36Å; F260-M282 HydrophobicContact CD1-CE 4.03Å; F260-M282 HydrophobicContact CD1-CG 3.93Å; F260-M282 HydrophobicContact CD1-SD 3.81Å; F260-M282 HydrophobicContact CE1-CB 3.93Å; F260-M282 HydrophobicContact CE1-CG 4.02Å; F260-M282 HydrophobicContact CE1-SD 4.11Å; F260-I285 HydrophobicContact CD2-CG2 4.12Å; F260-I285 HydrophobicContact CE1-CB 4.44Å; F260-I285 HydrophobicContact CE2-CB 4.14Å; F260-I285 HydrophobicContact CE2-CG2 3.39Å; F260-I285 HydrophobicContact CG-CD1 4.49Å; F260-I285 HydrophobicContact CZ-CB 3.89Å; F260-I285 HydrophobicContact CZ-CG2 3.63Å; F260-L286 HydrophobicContact CE1-CD2 4.47Å; F260-L286 HydrophobicContact CE1-CG 4.41Å; F260-L286 HydrophobicContact CZ-CD2 3.82Å; F260-L286 HydrophobicContact CZ-CG 4.02Å; F260-L289 HydrophobicContact CE2-CD1 4.04Å
261V86.5Confident88.2Confident37 Ų3739 Ų3922%0.22424%0.244CC..Hα-helixtrans-63-43177.2169.90000111.3W130 L257 T258 D259 I263 D264 I265W130-V261 HydrophobicContact CH2-CG2 4.36Å; W130-V261 HydrophobicContact CZ2-CG2 3.82Å; L257-V261 WeakPolarHBondContact O-CG2 3.43Å; L257-V261 PolarHBondContact O-N 3.46Å; T258-V261 PolarHBondContact O-N 2.97Å; D259-V261 VanDerWaalsContact C-N 3.33Å; D259-V261 PolarHBondContact O-N 2.58Å; V261-I263 VanDerWaalsContact C-N 3.34Å; V261-I263 PolarHBondContact O-N 2.8Å; V261-D264 PolarHBondContact O-N 2.69Å; V261-I265 HydrophobicContact CG1-CD1 3.75Å; V261-I265 HydrophobicContact CG1-CG1 4.36Å; V261-I265 VanDerWaalsContact O-CG1 3.29Å; V261-I265 WeakPolarHBondContact O-CG1 3.29Å; V261-I265 PolarHBondContact O-N 3.25Å
262Y88.8Confident86.9Confident101 Ų10141.5 Ų41.540%0.39627%0.27SS..Hα-helixtrans-62.8-40.7176.9-74.2-3.9000112.5T258 D259 A266 F485T258-Y262 HydrophobicContact CG2-CD2 4.47Å; T258-Y262 HydrophobicContact CG2-CE1 4.1Å; T258-Y262 HydrophobicContact CG2-CE2 4.04Å; T258-Y262 PolarHBondContact O-N 2.87Å; D259-Y262 PolarHBondContact O-N 3.42Å; Y262-A266 WeakPolarHBondContact O-CB 3.49Å; Y262-A266 PolarHBondContact O-N 3.47Å; Y262-A266 VanDerWaalsContact O-N 3.09Å; Y262-F485 HydrophobicContact CE1-CD2 4.42Å
263I89.1Confident85.6Confident20 Ų2049.6 Ų49.610%0.10331%0.312CS..Hα-helixtrans-64.1-43.9174.3-67.2161.8000110.6D259 F260 V261 I265 A266 H267 R278 L281 M282 I285D259-I263 WeakPolarHBondContact O-CG1 3.25Å; D259-I263 PolarHBondContact O-N 2.93Å; F260-I263 PolarHBondContact O-N 3.15Å; V261-I263 VanDerWaalsContact C-N 3.34Å; V261-I263 PolarHBondContact O-N 2.8Å; I263-I265 PolarHBondContact O-N 3.33Å; I263-A266 PolarHBondContact O-N 3.12Å; I263-H267 WeakPolarHBondContact O-CA 3.41Å; I263-H267 WeakPolarHBondContact O-CB 3.27Å; I263-H267 PolarHBondContact O-N 2.99Å; I263-R278 HydrophobicContact CG2-CG 3.96Å; I263-L281 HydrophobicContact CD1-CB 3.7Å; I263-L281 HydrophobicContact CG1-CB 4.01Å; I263-L281 HydrophobicContact CG1-CD1 4.43Å; I263-L281 HydrophobicContact CG2-CB 4.1Å; I263-L281 HydrophobicContact CG2-CD1 4.41Å; I263-M282 HydrophobicContact CB-CE 4.15Å; I263-M282 HydrophobicContact CD1-CG 4.26Å; I263-M282 HydrophobicContact CG2-CE 3.79Å; I263-M282 HydrophobicContact CG2-CG 3.85Å; I263-I285 HydrophobicContact CD1-CD1 3.39Å; I263-I285 HydrophobicContact CD1-CG1 4.48Å
264D87.6Confident84.7Confident45 Ų4552.3 Ų52.324%0.24133%0.325CS..Hα-helixtrans-67-35.5-178.3-163.865.5000112.4F260 V261 H267 P268 R278 M282F260-D264 WeakPolarHBondContact O-CB 3.49Å; F260-D264 PolarHBondContact O-N 2.77Å; V261-D264 PolarHBondContact O-N 2.69Å; D264-H267 CarbonylContact O-C 3.54Å; D264-H267 VanDerWaalsContact O-C 3.28Å; D264-P268 WeakPolarHBondContact O-CA 3.47Å; D264-P268 WeakPolarHBondContact O-CG 3.46Å; D264-R278 IonicContact OD1-CZ 3.23Å; D264-R278 IonicContact OD1-NE 3.69Å; D264-R278 PolarHBondContact OD1-NE 3.11Å; D264-R278 IonicContact OD1-NH2 3.53Å; D264-R278 PolarHBondContact OD1-NH2 3.45Å; D264-M282 HydrophobicContact CB-CE 4.27Å
265I86.1Confident84.6Confident118 Ų11854.4 Ų54.461%0.60534%0.34SS*.Hα-helixtrans-65.8-43.9172.6-68.8167.4000111.2V261 I263V261-I265 HydrophobicContact CG1-CD1 3.75Å; V261-I265 HydrophobicContact CG1-CG1 4.36Å; V261-I265 VanDerWaalsContact O-CG1 3.29Å; V261-I265 WeakPolarHBondContact O-CG1 3.29Å; V261-I265 PolarHBondContact O-N 3.25Å; I263-I265 PolarHBondContact O-N 3.33Å
266A87.2Confident84.4Confident66 Ų6659.3 Ų59.355%0.54537%0.37SS..Hα-helixtrans-73.9-32.2-179.100000112.8Y262 I263Y262-A266 WeakPolarHBondContact O-CB 3.49Å; Y262-A266 PolarHBondContact O-N 3.47Å; Y262-A266 VanDerWaalsContact O-N 3.09Å; I263-A266 PolarHBondContact O-N 3.12Å
267H87.1Confident84.1Confident44 Ų4464.1 Ų64.120%0.20439%0.393CS..SBendtrans-137.777-176.6-53-59.2000110.2I263 D264 Q277 R278I263-H267 WeakPolarHBondContact O-CA 3.41Å; I263-H267 WeakPolarHBondContact O-CB 3.27Å; I263-H267 PolarHBondContact O-N 2.99Å; D264-H267 CarbonylContact O-C 3.54Å; D264-H267 VanDerWaalsContact O-C 3.28Å; H267-Q277 VanDerWaalsContact CE1-CD 3.4Å; H267-Q277 PolarHBondContact CE1-NE2 2.97Å; H267-Q277 PolarHBondContact NE2-NE2 3.48Å; H267-R278 HydrophobicContact CB-CB 3.8Å; H267-R278 HydrophobicContact CB-CG 4.09Å; H267-R278 WeakPolarHBondContact O-CD 3.49Å; H267-R278 WeakPolarHBondContact O-CG 3.34Å; H267-R278 PolarHBondContact O-NE 3.32Å
268P85.9Confident84Confident78 Ų7864.8 Ų64.851%0.50640%0.395SS..  trans-61144.8-178-24.134.1000112.9D264 S270D264-P268 WeakPolarHBondContact O-CA 3.47Å; D264-P268 WeakPolarHBondContact O-CG 3.46Å; P268-S270 PolarHBondContact O-N 3.18Å
269S81.4Confident84.3Confident63 Ų6365.7 Ų65.744%0.44140%0.402SS..  trans-58.7129.8170.6174.20000110.1E274S269-E274 VanDerWaalsContact CB-OE1 3.32Å; S269-E274 WeakPolarHBondContact CB-OE1 3.48Å; S269-E274 PolarHBondContact OG-OE1 3.36Å
270S75.1Confident84.3Confident94 Ų9468.5 Ų68.566%0.65742%0.418SS*.  trans-92.66.2-176.5-60.40000113.3P268 G272P268-S270 PolarHBondContact O-N 3.18Å; S270-G272 PolarHBondContact O-N 3.43Å
271G67.7Low84.4Confident79 Ų7971.6 Ų71.681%0.81443%0.434SS*.SBendtrans63.68.7-176.900000114.7
272G70.3Confident84.7Confident53 Ų5369.9 Ų69.955%0.54642%0.423SS..SBendtrans-139.4-130.6-176.400000110.8S270 E274S270-G272 PolarHBondContact O-N 3.43Å; G272-E274 PolarHBondContact O-N 2.95Å; G272-E274 VanDerWaalsContact O-N 3.11Å
273L70.3Confident85Confident173 Ų17368.7 Ų68.791%0.90642%0.424SS*.SBendtrans-71109.3175-156.276.7000109.4
274E76.6Confident85.3Confident58 Ų5872.3 Ų72.327%0.27144%0.443SS..  trans-57139.9177.1-73.8-60.1148.100111S269 G272 T276 R278S269-E274 VanDerWaalsContact CB-OE1 3.32Å; S269-E274 WeakPolarHBondContact CB-OE1 3.48Å; S269-E274 PolarHBondContact OG-OE1 3.36Å; G272-E274 PolarHBondContact O-N 2.95Å; G272-E274 VanDerWaalsContact O-N 3.11Å; E274-T276 PolarHBondContact O-N 2.99Å; E274-R278 WeakPolarHBondContact OE2-CD 3.37Å; E274-R278 IonicContact OE2-NE 2.8Å; E274-R278 IonicContact OE2-NH1 2.72Å
275S84.4Confident85.6Confident44 Ų4471.1 Ų71.131%0.30844%0.437SS..  trans-62.4138.7178.3730000110.2Q277 R278 S279S275-Q277 PolarHBondContact O-N 3.37Å; S275-R278 PolarHBondContact O-N 3.46Å; S275-R278 WeakPolarHBondContact OG-CB 3.37Å; S275-R278 PolarHBondContact OG-N 2.77Å; S275-R278 VanDerWaalsContact OG-N 3.16Å; S275-S279 WeakPolarHBondContact O-CB 3.12Å; S275-S279 PolarHBondContact O-N 2.98Å; S275-S279 PolarHBondContact O-OG 3.07Å
276T87.9Confident86.2Confident106 Ų10666.5 Ų66.565%0.6541%0.413SS*.Hα-helixtrans-56.6-37176.5-50.90000111E274 S279 N280E274-T276 PolarHBondContact O-N 2.99Å; T276-S279 PolarHBondContact O-N 3.08Å; T276-N280 WeakPolarHBondContact O-CB 3.33Å; T276-N280 PolarHBondContact O-N 3.19Å; T276-N280 PolarHBondContact O-ND2 3.09Å
277Q90Very high86.7Confident119 Ų11971.8 Ų71.856%0.55642%0.419SS*.Hα-helixtrans-64.6-50.4178.8-171.2168.65.500112.2H267 S275 S279 N280 L281H267-Q277 VanDerWaalsContact CE1-CD 3.4Å; H267-Q277 PolarHBondContact CE1-NE2 2.97Å; H267-Q277 PolarHBondContact NE2-NE2 3.48Å; S275-Q277 PolarHBondContact O-N 3.37Å; Q277-S279 VanDerWaalsContact C-N 3.33Å; Q277-S279 PolarHBondContact O-N 3.39Å; Q277-N280 PolarHBondContact O-N 3.12Å; Q277-L281 HydrophobicContact CG-CD1 4.19Å; Q277-L281 WeakPolarHBondContact O-CG 3.38Å; Q277-L281 PolarHBondContact O-N 3.18Å; Q277-L281 VanDerWaalsContact O-N 3.07Å
278R91.4Very high87.1Confident13 Ų1372.4 Ų72.45%0.04943%0.426CS..Hα-helixtrans-56.9-48.7175.1-171.2-169.1-174.7-82.50.2111T126 I263 D264 H267 E274 S275 N280 L281 M282T126-R278 PolarHBondContact O-NH1 3.27Å; T126-R278 PolarHBondContact O-NH2 2.84Å; I263-R278 HydrophobicContact CG2-CG 3.96Å; D264-R278 IonicContact OD1-CZ 3.23Å; D264-R278 IonicContact OD1-NE 3.69Å; D264-R278 PolarHBondContact OD1-NE 3.11Å; D264-R278 IonicContact OD1-NH2 3.53Å; D264-R278 PolarHBondContact OD1-NH2 3.45Å; H267-R278 HydrophobicContact CB-CB 3.8Å; H267-R278 HydrophobicContact CB-CG 4.09Å; H267-R278 WeakPolarHBondContact O-CD 3.49Å; H267-R278 WeakPolarHBondContact O-CG 3.34Å; H267-R278 PolarHBondContact O-NE 3.32Å; E274-R278 WeakPolarHBondContact OE2-CD 3.37Å; E274-R278 IonicContact OE2-NE 2.8Å; E274-R278 IonicContact OE2-NH1 2.72Å; S275-R278 PolarHBondContact O-N 3.46Å; S275-R278 WeakPolarHBondContact OG-CB 3.37Å; S275-R278 PolarHBondContact OG-N 2.77Å; S275-R278 VanDerWaalsContact OG-N 3.16Å; R278-N280 PolarHBondContact O-N 2.95Å; R278-L281 PolarHBondContact O-N 3.04Å; R278-M282 HydrophobicContact CG-CE 4.19Å; R278-M282 HydrophobicContact CG-CG 4.46Å; R278-M282 HydrophobicContact CG-SD 4.41Å; R278-M282 PolarHBondContact NH1-SD 3.01Å; R278-M282 WeakPolarHBondContact O-CB 3.38Å; R278-M282 WeakPolarHBondContact O-CG 3.47Å; R278-M282 PolarHBondContact O-N 3.2Å
279S91.7Very high87.5Confident39 Ų3968.9 Ų68.927%0.27340%0.403SS..Hα-helixtrans-58.6-46.2-179-600000111.7S275 T276 Q277 N283S275-S279 WeakPolarHBondContact O-CB 3.12Å; S275-S279 PolarHBondContact O-N 2.98Å; S275-S279 PolarHBondContact O-OG 3.07Å; T276-S279 PolarHBondContact O-N 3.08Å; Q277-S279 VanDerWaalsContact C-N 3.33Å; Q277-S279 PolarHBondContact O-N 3.39Å; S279-N283 WeakPolarHBondContact O-CB 3.34Å; S279-N283 PolarHBondContact O-N 3.06Å; S279-N283 PolarHBondContact O-ND2 3.14Å
280N93Very high88.3Confident89 Ų8967.8 Ų67.848%0.47640%0.398SS..Hα-helixtrans-64-45.6179-71.9-14.2000112.2T276 Q277 R278 N283 N284T276-N280 WeakPolarHBondContact O-CB 3.33Å; T276-N280 PolarHBondContact O-N 3.19Å; T276-N280 PolarHBondContact O-ND2 3.09Å; Q277-N280 PolarHBondContact O-N 3.12Å; R278-N280 PolarHBondContact O-N 2.95Å; N280-N283 PolarHBondContact O-N 3.44Å; N280-N284 VanDerWaalsContact O-CG 3.24Å; N280-N284 PolarHBondContact O-N 2.78Å; N280-N284 PolarHBondContact O-ND2 3.31Å; N280-N284 PolarHBondContact O-OD1 3.25Å
281L93.6Very high89.3Confident64 Ų6468.2 Ų68.234%0.33539%0.393SS..Hα-helixtrans-63.8-44.9179.8-68.3171.4000111.8I263 Q277 R278 N284 I285I263-L281 HydrophobicContact CD1-CB 3.7Å; I263-L281 HydrophobicContact CG1-CB 4.01Å; I263-L281 HydrophobicContact CG1-CD1 4.43Å; I263-L281 HydrophobicContact CG2-CB 4.1Å; I263-L281 HydrophobicContact CG2-CD1 4.41Å; Q277-L281 HydrophobicContact CG-CD1 4.19Å; Q277-L281 WeakPolarHBondContact O-CG 3.38Å; Q277-L281 PolarHBondContact O-N 3.18Å; Q277-L281 VanDerWaalsContact O-N 3.07Å; R278-L281 PolarHBondContact O-N 3.04Å; L281-N284 WeakPolarHBondContact O-CB 3.37Å; L281-N284 PolarHBondContact O-N 3.37Å; L281-I285 PolarHBondContact O-N 2.85Å
282M94.5Very high90.8Very high2 Ų265.7 Ų65.71%0.0136%0.359CS..Hα-helixtrans-65.4-41.7176.4-70.7-156.3171.400112.3T126 F260 I263 D264 R278 N284 I285 L286T126-M282 HydrophobicContact CG2-CB 4.34Å; T126-M282 HydrophobicContact CG2-SD 4.14Å; F260-M282 HydrophobicContact CD1-CB 4.36Å; F260-M282 HydrophobicContact CD1-CE 4.03Å; F260-M282 HydrophobicContact CD1-CG 3.93Å; F260-M282 HydrophobicContact CD1-SD 3.81Å; F260-M282 HydrophobicContact CE1-CB 3.93Å; F260-M282 HydrophobicContact CE1-CG 4.02Å; F260-M282 HydrophobicContact CE1-SD 4.11Å; I263-M282 HydrophobicContact CB-CE 4.15Å; I263-M282 HydrophobicContact CD1-CG 4.26Å; I263-M282 HydrophobicContact CG2-CE 3.79Å; I263-M282 HydrophobicContact CG2-CG 3.85Å; D264-M282 HydrophobicContact CB-CE 4.27Å; R278-M282 HydrophobicContact CG-CE 4.19Å; R278-M282 HydrophobicContact CG-CG 4.46Å; R278-M282 HydrophobicContact CG-SD 4.41Å; R278-M282 PolarHBondContact NH1-SD 3.01Å; R278-M282 WeakPolarHBondContact O-CB 3.38Å; R278-M282 WeakPolarHBondContact O-CG 3.47Å; R278-M282 PolarHBondContact O-N 3.2Å; M282-N284 PolarHBondContact O-N 3.31Å; M282-I285 PolarHBondContact O-N 2.87Å; M282-I285 VanDerWaalsContact O-N 3.13Å; M282-L286 WeakPolarHBondContact O-CG 3.47Å; M282-L286 PolarHBondContact O-N 3.28Å
283N94.8Very high92.1Very high75 Ų7565.2 Ų65.240%0.40134%0.342SS..Hα-helixtrans-62.3-30.4177-77.2-34.4000112.7S279 N280 L286 R287S279-N283 WeakPolarHBondContact O-CB 3.34Å; S279-N283 PolarHBondContact O-N 3.06Å; S279-N283 PolarHBondContact O-ND2 3.14Å; N280-N283 PolarHBondContact O-N 3.44Å; N283-L286 PolarHBondContact O-N 2.77Å; N283-R287 VanDerWaalsContact O-CG 3.31Å; N283-R287 WeakPolarHBondContact O-CG 3.41Å; N283-R287 PolarHBondContact O-N 3.45Å
284N95.3Very high93.4Very high97 Ų9761.1 Ų61.152%0.51933%0.327SS..Hα-helixtrans-63.7-44.1173.8-69-20.4000111.5N280 L281 M282 R287 V288N280-N284 VanDerWaalsContact O-CG 3.24Å; N280-N284 PolarHBondContact O-N 2.78Å; N280-N284 PolarHBondContact O-ND2 3.31Å; N280-N284 PolarHBondContact O-OD1 3.25Å; L281-N284 WeakPolarHBondContact O-CB 3.37Å; L281-N284 PolarHBondContact O-N 3.37Å; M282-N284 PolarHBondContact O-N 3.31Å; N284-R287 PolarHBondContact O-N 3.44Å; N284-V288 PolarHBondContact O-N 3Å
285I93.8Very high94.4Very high19 Ų1958.4 Ų58.410%0.09731%0.314CS..Hα-helixtrans-66.6-42.9176.3-60.7166.4000110.6Y256 D259 F260 I263 L281 M282 R287 V288 L289Y256-I285 HydrophobicContact CD1-CG2 3.94Å; Y256-I285 HydrophobicContact CG-CG2 4.46Å; D259-I285 HydrophobicContact CB-CD1 3.51Å; D259-I285 HydrophobicContact CB-CG1 4.42Å; F260-I285 HydrophobicContact CD2-CG2 4.12Å; F260-I285 HydrophobicContact CE1-CB 4.44Å; F260-I285 HydrophobicContact CE2-CB 4.14Å; F260-I285 HydrophobicContact CE2-CG2 3.39Å; F260-I285 HydrophobicContact CG-CD1 4.49Å; F260-I285 HydrophobicContact CZ-CB 3.89Å; F260-I285 HydrophobicContact CZ-CG2 3.63Å; I263-I285 HydrophobicContact CD1-CD1 3.39Å; I263-I285 HydrophobicContact CD1-CG1 4.48Å; L281-I285 PolarHBondContact O-N 2.85Å; M282-I285 PolarHBondContact O-N 2.87Å; M282-I285 VanDerWaalsContact O-N 3.13Å; I285-R287 VanDerWaalsContact C-N 3.29Å; I285-R287 PolarHBondContact O-N 2.9Å; I285-V288 PolarHBondContact O-N 2.87Å; I285-L289 HydrophobicContact CG2-CD1 4.07Å; I285-L289 HydrophobicContact CG2-CG 4.39Å; I285-L289 PolarHBondContact O-N 3.3Å
286L98Very high95Very high22 Ų2259.5 Ų59.512%0.11532%0.319CS..Hα-helixtrans-59.3-38.9177.8-72.2175.2000112.5P122 L125 T126 F260 M282 N283 L289 A290P122-L286 HydrophobicContact CB-CD1 3.86Å; P122-L286 HydrophobicContact CB-CD2 3.74Å; P122-L286 HydrophobicContact CB-CG 4.39Å; P122-L286 HydrophobicContact CG-CD2 4.46Å; L125-L286 HydrophobicContact CB-CD2 4.21Å; L125-L286 HydrophobicContact CD1-CD2 3.81Å; T126-L286 HydrophobicContact CG2-CD1 3.65Å; T126-L286 HydrophobicContact CG2-CG 4.42Å; F260-L286 HydrophobicContact CE1-CD2 4.47Å; F260-L286 HydrophobicContact CE1-CG 4.41Å; F260-L286 HydrophobicContact CZ-CD2 3.82Å; F260-L286 HydrophobicContact CZ-CG 4.02Å; M282-L286 WeakPolarHBondContact O-CG 3.47Å; M282-L286 PolarHBondContact O-N 3.28Å; N283-L286 PolarHBondContact O-N 2.77Å; L286-L289 PolarHBondContact O-N 3.28Å; L286-A290 VanDerWaalsContact O-CB 3.27Å; L286-A290 WeakPolarHBondContact O-CB 3.35Å; L286-A290 PolarHBondContact O-N 3.01Å
287R97.3Very high95.5Very high176 Ų17654.9 Ų54.966%0.66429%0.29SS*.Hα-helixtrans-61.7-46.4175.4-76173.2-177.8-84.40.6111.5N283 N284 I285 L289 A290 D291N283-R287 VanDerWaalsContact O-CG 3.31Å; N283-R287 WeakPolarHBondContact O-CG 3.41Å; N283-R287 PolarHBondContact O-N 3.45Å; N284-R287 PolarHBondContact O-N 3.44Å; I285-R287 VanDerWaalsContact C-N 3.29Å; I285-R287 PolarHBondContact O-N 2.9Å; R287-L289 VanDerWaalsContact C-N 3.35Å; R287-L289 PolarHBondContact O-N 3.49Å; R287-A290 PolarHBondContact O-N 3.23Å; R287-D291 VanDerWaalsContact O-CG 3.29Å; R287-D291 PolarHBondContact O-N 3.32Å
288V95.6Very high95.6Very high57 Ų5755.7 Ų55.735%0.34530%0.298SS..Hα-helixtrans-60-45176.8173.20000111.2Y256 N284 I285 D291 Y292Y256-V288 HydrophobicContact CE1-CG1 3.83Å; N284-V288 PolarHBondContact O-N 3Å; I285-V288 PolarHBondContact O-N 2.87Å; V288-D291 PolarHBondContact O-N 2.85Å; V288-Y292 HydrophobicContact CG1-CD2 4Å; V288-Y292 HydrophobicContact CG1-CE2 3.5Å; V288-Y292 VanDerWaalsContact CG1-CE2 3.5Å; V288-Y292 WeakPolarHBondContact O-CD2 3.4Å; V288-Y292 PolarHBondContact O-N 3.39Å; V288-Y292 VanDerWaalsContact O-N 3.16Å
289L95.8Very high95.6Very high5 Ų561.2 Ų61.23%0.02633%0.329CS..Hα-helixtrans-66.3-39.9177.3-71175.2000112.4F117 L125 P251 Y256 F260 I285 L286 R287 D291 Y292 Q293F117-L289 HydrophobicContact CE2-CD2 4.31Å; F117-L289 HydrophobicContact CZ-CD2 4.4Å; L125-L289 HydrophobicContact CD1-CD1 3.52Å; P251-L289 HydrophobicContact CG-CD2 4.26Å; Y256-L289 HydrophobicContact CD1-CD2 4.2Å; Y256-L289 HydrophobicContact CD1-CG 4.41Å; Y256-L289 HydrophobicContact CD2-CD2 3.76Å; Y256-L289 HydrophobicContact CE2-CD2 4.18Å; Y256-L289 HydrophobicContact CG-CD1 4.48Å; Y256-L289 HydrophobicContact CG-CD2 3.77Å; Y256-L289 HydrophobicContact CG-CG 4.28Å; F260-L289 HydrophobicContact CE2-CD1 4.04Å; I285-L289 HydrophobicContact CG2-CD1 4.07Å; I285-L289 HydrophobicContact CG2-CG 4.39Å; I285-L289 PolarHBondContact O-N 3.3Å; L286-L289 PolarHBondContact O-N 3.28Å; R287-L289 VanDerWaalsContact C-N 3.35Å; R287-L289 PolarHBondContact O-N 3.49Å; L289-D291 VanDerWaalsContact C-N 3.31Å; L289-D291 PolarHBondContact O-N 2.99Å; L289-Y292 PolarHBondContact O-N 2.96Å; L289-Q293 WeakPolarHBondContact O-CG 3.43Å; L289-Q293 PolarHBondContact O-N 3.44Å
290A97.5Very high95.8Very high40 Ų4060.7 Ų60.733%0.33132%0.323SS..Hα-helixtrans-62.9-37.617600000112.1L286 R287 Q293 C294L286-A290 VanDerWaalsContact O-CB 3.27Å; L286-A290 WeakPolarHBondContact O-CB 3.35Å; L286-A290 PolarHBondContact O-N 3.01Å; R287-A290 PolarHBondContact O-N 3.23Å; A290-Q293 PolarHBondContact O-N 3.39Å; A290-C294 PolarHBondContact O-N 2.68Å; A290-C294 PolarHBondContact O-SG 3.15Å; A290-C294 VanDerWaalsContact O-SG 3.36Å
291D96.7Very high95.6Very high103 Ų10362.8 Ų62.855%0.55133%0.334SS*.Hα-helixtrans-61.7-44.7173.1-68.4-20000110.5L247 R287 V288 L289 Q293 C294L247-D291 WeakPolarHBondContact CD1-O 3.09Å; L247-D291 WeakPolarHBondContact CD2-O 3.17Å; R287-D291 VanDerWaalsContact O-CG 3.29Å; R287-D291 PolarHBondContact O-N 3.32Å; V288-D291 PolarHBondContact O-N 2.85Å; L289-D291 VanDerWaalsContact C-N 3.31Å; L289-D291 PolarHBondContact O-N 2.99Å; D291-Q293 VanDerWaalsContact C-N 3.35Å; D291-Q293 PolarHBondContact O-N 3.46Å; D291-C294 VanDerWaalsContact O-CB 3.31Å; D291-C294 WeakPolarHBondContact O-CB 3.35Å; D291-C294 PolarHBondContact O-N 2.99Å; D291-C294 VanDerWaalsContact O-N 3.16Å
292Y98Very high95.4Very high26 Ų2663.6 Ų63.610%0.10235%0.345CS..Hα-helixtrans-65-34.7174.2-69.6-54.9000113.4M242 L247 C249 P251 Y256 V288 L289 C294 S295M242-Y292 HydrophobicContact CE-CE1 4.13Å; M242-Y292 HydrophobicContact CE-CE2 4.11Å; M242-Y292 PolarHBondContact O-OH 3.36Å; L247-Y292 HydrophobicContact CD2-CD1 3.86Å; C249-Y292 HydrophobicContact CB-CD1 3.79Å; C249-Y292 HydrophobicContact CB-CE1 3.95Å; P251-Y292 HydrophobicContact CB-CD2 4.29Å; P251-Y292 HydrophobicContact CG-CD2 3.97Å; P251-Y292 HydrophobicContact CG-CG 4.11Å; Y256-Y292 VanDerWaalsContact OH-CE2 3.26Å; Y256-Y292 WeakPolarHBondContact OH-CE2 3.44Å; V288-Y292 HydrophobicContact CG1-CD2 4Å; V288-Y292 HydrophobicContact CG1-CE2 3.5Å; V288-Y292 VanDerWaalsContact CG1-CE2 3.5Å; V288-Y292 WeakPolarHBondContact O-CD2 3.4Å; V288-Y292 PolarHBondContact O-N 3.39Å; V288-Y292 VanDerWaalsContact O-N 3.16Å; L289-Y292 PolarHBondContact O-N 2.96Å; Y292-C294 PolarHBondContact O-N 3.12Å; Y292-S295 VanDerWaalsContact O-CB 3.23Å; Y292-S295 WeakPolarHBondContact O-CB 3.24Å; Y292-S295 PolarHBondContact O-N 3.43Å; Y292-S295 PolarHBondContact O-OG 3.35Å
293Q98.2Very high94.9Very high42 Ų4265 Ų6520%0.19635%0.352CS..Hα-helixtrans-65.4-14.2175.8-72.5177.1-41.800112.8F117 K118 I120 L289 A290 D291 S295F117-Q293 HydrophobicContact CD1-CG 4.18Å; F117-Q293 HydrophobicContact CE1-CB 4.39Å; F117-Q293 HydrophobicContact CE1-CG 3.68Å; F117-Q293 HydrophobicContact CE2-CG 4.4Å; F117-Q293 HydrophobicContact CZ-CG 3.79Å; F117-Q293 PolarHBondContact O-NE2 3.43Å; K118-Q293 WeakPolarHBondContact CE-O 3.32Å; K118-Q293 WeakPolarHBondContact CG-O 3.42Å; K118-Q293 PolarHBondContact O-NE2 3.06Å; I120-Q293 PolarHBondContact O-NE2 3.3Å; L289-Q293 WeakPolarHBondContact O-CG 3.43Å; L289-Q293 PolarHBondContact O-N 3.44Å; A290-Q293 PolarHBondContact O-N 3.39Å; D291-Q293 VanDerWaalsContact C-N 3.35Å; D291-Q293 PolarHBondContact O-N 3.46Å; Q293-S295 PolarHBondContact O-N 3.32Å
294C97.4Very high94.2Very high87 Ų8763.6 Ų63.659%0.58836%0.355SS*.THydrogen-bonded Turntrans-75.8-6.4170.8-63.10000113.9L247 A290 D291 Y292L247-C294 HydrophobicContact CD1-CB 4.13Å; A290-C294 PolarHBondContact O-N 2.68Å; A290-C294 PolarHBondContact O-SG 3.15Å; A290-C294 VanDerWaalsContact O-SG 3.36Å; D291-C294 VanDerWaalsContact O-CB 3.31Å; D291-C294 WeakPolarHBondContact O-CB 3.35Å; D291-C294 PolarHBondContact O-N 2.99Å; D291-C294 VanDerWaalsContact O-N 3.16Å; Y292-C294 PolarHBondContact O-N 3.12Å
295S98.1Very high93.4Very high1 Ų162 Ų621%0.00734%0.343CS..  trans-57.9137.4-179.8-62.90000113.4K118 L247 C249 Y292 Q293K118-S295 WeakPolarHBondContact CE-O 3.24Å; K118-S295 PolarHBondContact NZ-O 3.48Å; L247-S295 WeakPolarHBondContact CD2-OG 3.34Å; C249-S295 PolarHBondContact N-OG 3.48Å; C249-S295 PolarHBondContact O-OG 3.13Å; Y292-S295 VanDerWaalsContact O-CB 3.23Å; Y292-S295 WeakPolarHBondContact O-CB 3.24Å; Y292-S295 PolarHBondContact O-N 3.43Å; Y292-S295 PolarHBondContact O-OG 3.35Å; Q293-S295 PolarHBondContact O-N 3.32Å
296T97.2Very high92.6Very high67 Ų6761.1 Ų61.141%0.41134%0.338SS..  trans-128.3147.6169.265.50000110.4P248 D298P248-T296 WeakPolarHBondContact CB-O 3.31Å; P248-T296 WeakPolarHBondContact CG-O 3.43Å; T296-D298 WeakPolarHBondContact CB-OD2 3.37Å; T296-D298 PolarHBondContact OG1-OD2 3.44Å
297Y97.4Very high91.6Very high10 Ų1061.4 Ų61.44%0.03934%0.339CS..  trans-124.651.4-179.5-70.4-88.4000109.6T110 L114 L186 P248 C249 I250 N299 L300T110-Y297 HydrophobicContact CG2-CD1 3.77Å; T110-Y297 HydrophobicContact CG2-CD2 3.83Å; T110-Y297 HydrophobicContact CG2-CE1 3.66Å; T110-Y297 HydrophobicContact CG2-CE2 3.71Å; T110-Y297 HydrophobicContact CG2-CG 3.84Å; L114-Y297 HydrophobicContact CD1-CD2 4.22Å; L114-Y297 HydrophobicContact CD1-CE2 4.07Å; L114-Y297 HydrophobicContact CD2-CD2 3.82Å; L114-Y297 HydrophobicContact CG-CD2 4.45Å; L186-Y297 WeakPolarHBondContact O-CE1 3.43Å; L186-Y297 PolarHBondContact O-OH 2.99Å; P248-Y297 HydrophobicContact CB-CD1 4.22Å; P248-Y297 HydrophobicContact CB-CD2 4.24Å; P248-Y297 HydrophobicContact CB-CE1 3.83Å; P248-Y297 HydrophobicContact CB-CE2 3.88Å; P248-Y297 HydrophobicContact CB-CG 4.43Å; P248-Y297 HydrophobicContact CG-CD1 3.99Å; P248-Y297 HydrophobicContact CG-CE1 3.69Å; C249-Y297 WeakPolarHBondContact CA-OH 3.39Å; C249-Y297 PolarHBondContact N-OH 3.3Å; I250-Y297 HydrophobicContact CD1-CE2 4.05Å; I250-Y297 HydrophobicContact CG1-CE2 3.87Å; I250-Y297 PolarHBondContact N-OH 3.46Å; Y297-N299 PolarHBondContact O-N 3.33Å; Y297-N299 VanDerWaalsContact O-N 3.11Å; Y297-L300 HydrophobicContact CD1-CD1 3.81Å; Y297-L300 HydrophobicContact CD1-CG 4.47Å; Y297-L300 HydrophobicContact CG-CD1 4.06Å; Y297-L300 WeakPolarHBondContact O-CB 3.37Å; Y297-L300 PolarHBondContact O-N 2.99Å
298D93.4Very high90.7Very high136 Ų13660.5 Ų60.573%0.72734%0.34SS*.THydrogen-bonded Turntrans-65.8-17-169-53-45.9000113.3T296T296-D298 WeakPolarHBondContact CB-OD2 3.37Å; T296-D298 PolarHBondContact OG1-OD2 3.44Å
299N91.3Very high89.9Confident129 Ų12958.4 Ų58.469%0.6933%0.326SS*.THydrogen-bonded Turntrans-85.6-3.817666.7-37.9000113.9Y297Y297-N299 PolarHBondContact O-N 3.33Å; Y297-N299 VanDerWaalsContact O-N 3.11Å
300L94.6Very high88.9Confident28 Ų2858.3 Ų58.315%0.14733%0.325CS..PPolyproline II helixtrans-96.5127.3178.3-57.7-173.2000110.3A107 T110 L111 L186 Y297A107-L300 HydrophobicContact CB-CB 4.35Å; A107-L300 HydrophobicContact CB-CD1 4.16Å; A107-L300 HydrophobicContact CB-CD2 4.07Å; A107-L300 HydrophobicContact CB-CG 4.43Å; T110-L300 HydrophobicContact CG2-CD1 4Å; L111-L300 HydrophobicContact CD1-CB 4.02Å; L111-L300 HydrophobicContact CD2-CB 4.06Å; L111-L300 HydrophobicContact CG-CB 4.06Å; L186-L300 HydrophobicContact CD1-CD1 4.41Å; L186-L300 HydrophobicContact CD2-CD2 4.29Å; Y297-L300 HydrophobicContact CD1-CD1 3.81Å; Y297-L300 HydrophobicContact CD1-CG 4.47Å; Y297-L300 HydrophobicContact CG-CD1 4.06Å; Y297-L300 WeakPolarHBondContact O-CB 3.37Å; Y297-L300 PolarHBondContact O-N 2.99Å
301N90Very high87.8Confident132 Ų13262 Ų6271%0.70634%0.339SS*.PPolyproline II helixtrans-90129.6177.4-66.4-32.9000110.7Q108Q108-N301 PolarHBondContact NE2-O 2.97Å
302S87.6Confident86.6Confident81 Ų8159.7 Ų59.757%0.56633%0.331SS*.PPolyproline II helixtrans-74.2135.9173.1-171.50000110.5
303I85.3Confident85.1Confident31 Ų3159.2 Ų59.216%0.15933%0.33CS..  trans-112.7102.2177.4-62.6172000107.3E104 Q108 Y305 F306 Q307E104-I303 HydrophobicContact CB-CD1 4.07Å; E104-I303 HydrophobicContact CG-CD1 3.85Å; Q108-I303 VanDerWaalsContact CD-N 3.3Å; Q108-I303 HydrophobicContact CG-CB 4.28Å; I303-Y305 VanDerWaalsContact C-N 3.33Å; I303-Y305 HydrophobicContact CG2-CD1 3.48Å; I303-Y305 VanDerWaalsContact CG2-CD1 3.48Å; I303-Y305 HydrophobicContact CG2-CD2 4.16Å; I303-Y305 HydrophobicContact CG2-CE1 3.09Å; I303-Y305 HydrophobicContact CG2-CE2 3.81Å; I303-Y305 HydrophobicContact CG2-CG 4Å; I303-Y305 PolarHBondContact O-N 3.28Å; I303-F306 HydrophobicContact CB-CB 4.31Å; I303-F306 HydrophobicContact CG2-CB 4.1Å; I303-F306 PolarHBondContact O-N 2.9Å; I303-F306 VanDerWaalsContact O-N 3.07Å; I303-Q307 PolarHBondContact O-N 3.2Å
304G79.5Confident83.1Confident46 Ų4666.6 Ų66.647%0.47436%0.356SS..Hα-helixtrans-57.4-39.3-170.100000114.5F306 K308G304-F306 VanDerWaalsContact C-N 3.34Å; G304-F306 PolarHBondContact O-N 2.94Å; G304-K308 WeakPolarHBondContact O-CG 3.46Å; G304-K308 PolarHBondContact O-N 2.89Å; G304-K308 VanDerWaalsContact O-N 3.12Å
305Y77.9Confident80.8Confident64 Ų6467.8 Ų67.825%0.25135%0.349SS..Hα-helixtrans-67.8-32.717967.9-102.7000112.7K88 F90 F95 I303 Y309K88-Y305 WeakPolarHBondContact O-CD1 3.4Å; F90-Y305 HydrophobicContact CD2-CD2 4.18Å; F90-Y305 AromaticContact CD2-CE2 3.98Å; F90-Y305 HydrophobicContact CD2-CE2 3.98Å; F90-Y305 HydrophobicContact CE2-CE2 4.43Å; F95-Y305 HydrophobicContact CE2-CD2 4.08Å; F95-Y305 AromaticContact CE2-CE2 3.97Å; F95-Y305 HydrophobicContact CE2-CE2 3.97Å; I303-Y305 VanDerWaalsContact C-N 3.33Å; I303-Y305 HydrophobicContact CG2-CD1 3.48Å; I303-Y305 VanDerWaalsContact CG2-CD1 3.48Å; I303-Y305 HydrophobicContact CG2-CD2 4.16Å; I303-Y305 HydrophobicContact CG2-CE1 3.09Å; I303-Y305 HydrophobicContact CG2-CE2 3.81Å; I303-Y305 HydrophobicContact CG2-CG 4Å; I303-Y305 PolarHBondContact O-N 3.28Å; Y305-Y309 PolarHBondContact O-N 3.44Å
306F77.2Confident78.6Confident1 Ų170.2 Ų70.20%0.00436%0.362CS..Hα-helixtrans-76-38.5-179.5-169.5-93.7000111.5F95 V100 I105 Q108 W155 I303 G304 K308 Y309 L310F95-F306 AromaticContact CE1-CD2 3.89Å; F95-F306 HydrophobicContact CE1-CD2 3.89Å; F95-F306 AromaticContact CE1-CE2 3.66Å; F95-F306 HydrophobicContact CE1-CE2 3.66Å; F95-F306 HydrophobicContact CE2-CD2 4.32Å; F95-F306 AromaticContact CZ-CD2 3.43Å; F95-F306 HydrophobicContact CZ-CD2 3.43Å; F95-F306 VanDerWaalsContact CZ-CD2 3.43Å; F95-F306 AromaticContact CZ-CE2 3.67Å; F95-F306 HydrophobicContact CZ-CE2 3.67Å; V100-F306 HydrophobicContact CG1-CE2 4.43Å; V100-F306 HydrophobicContact CG2-CD2 4.36Å; V100-F306 HydrophobicContact CG2-CE2 4.17Å; I105-F306 HydrophobicContact CB-CZ 4.22Å; I105-F306 HydrophobicContact CD1-CZ 4.43Å; I105-F306 HydrophobicContact CG1-CE1 4.46Å; I105-F306 HydrophobicContact CG1-CE2 3.99Å; I105-F306 HydrophobicContact CG1-CZ 3.69Å; I105-F306 HydrophobicContact CG2-CE1 4.39Å; I105-F306 HydrophobicContact CG2-CZ 4.02Å; Q108-F306 HydrophobicContact CB-CD1 3.34Å; Q108-F306 HydrophobicContact CB-CE1 3.72Å; Q108-F306 HydrophobicContact CB-CG 4.35Å; Q108-F306 HydrophobicContact CG-CB 4.05Å; Q108-F306 HydrophobicContact CG-CD1 3.43Å; Q108-F306 VanDerWaalsContact CG-CD1 3.43Å; Q108-F306 HydrophobicContact CG-CE1 4.16Å; Q108-F306 HydrophobicContact CG-CG 3.97Å; W155-F306 HydrophobicContact CH2-CZ 4.44Å; W155-F306 HydrophobicContact CZ2-CZ 4.36Å; I303-F306 HydrophobicContact CB-CB 4.31Å; I303-F306 HydrophobicContact CG2-CB 4.1Å; I303-F306 PolarHBondContact O-N 2.9Å; I303-F306 VanDerWaalsContact O-N 3.07Å; G304-F306 VanDerWaalsContact C-N 3.34Å; G304-F306 PolarHBondContact O-N 2.94Å; F306-K308 VanDerWaalsContact C-N 3.32Å; F306-Y309 HydrophobicContact CD2-CD1 4.3Å; F306-Y309 HydrophobicContact CE2-CD1 4.08Å; F306-Y309 HydrophobicContact CE2-CE1 4.39Å; F306-Y309 HydrophobicContact CZ-CD1 4.47Å; F306-Y309 WeakPolarHBondContact O-CB 3.22Å; F306-Y309 PolarHBondContact O-N 3.2Å; F306-L310 HydrophobicContact CD1-CD1 3.86Å; F306-L310 HydrophobicContact CD1-CG 3.88Å; F306-L310 HydrophobicContact CE1-CD1 3.58Å; F306-L310 HydrophobicContact CE1-CD2 3.89Å; F306-L310 HydrophobicContact CE1-CG 3.61Å; F306-L310 HydrophobicContact CZ-CD2 4.16Å; F306-L310 HydrophobicContact CZ-CG 4.29Å; F306-L310 PolarHBondContact O-N 2.91Å
307Q78.7Confident76Confident28 Ų2872.7 Ų72.713%0.13137%0.372CS..Hα-helixtrans-59.6-46.2171.7-65.6-63.4-19.100110.4Q108 I303 Y309 L310 D311Q108-Q307 PolarHBondContact O-NE2 2.97Å; I303-Q307 PolarHBondContact O-N 3.2Å; Q307-Y309 VanDerWaalsContact C-N 3.31Å; Q307-Y309 PolarHBondContact O-N 3.25Å; Q307-L310 PolarHBondContact O-N 3.21Å; Q307-L310 VanDerWaalsContact O-N 3.13Å; Q307-D311 WeakPolarHBondContact O-CB 3.29Å; Q307-D311 VanDerWaalsContact O-CG 3.26Å; Q307-D311 PolarHBondContact O-N 3.16Å
308K78.2Confident73.6Confident156 Ų15677.6 Ų77.668%0.67840%0.396SS*.Hα-helixtrans-57.9-41.1173.5-71.7175.7-177.61790112.5G304 F306 D311 S312G304-K308 WeakPolarHBondContact O-CG 3.46Å; G304-K308 PolarHBondContact O-N 2.89Å; G304-K308 VanDerWaalsContact O-N 3.12Å; F306-K308 VanDerWaalsContact C-N 3.32Å; K308-D311 PolarHBondContact O-N 3.4Å; K308-S312 VanDerWaalsContact O-CB 3.23Å; K308-S312 WeakPolarHBondContact O-CB 3.38Å; K308-S312 PolarHBondContact O-N 3.05Å; K308-S312 PolarHBondContact O-OG 3.46Å
309Y78Confident71.3Confident13 Ų1372.1 Ų72.15%0.05137%0.366CS..Hα-helixtrans-62-49173.9164.1-101.7000111.3F95 V97 W155 E159 Y305 F306 Q307 D311 S312 I313F95-Y309 HydrophobicContact CB-CD2 3.69Å; F95-Y309 HydrophobicContact CB-CE2 3.82Å; F95-Y309 HydrophobicContact CB-CG 4.39Å; F95-Y309 AromaticContact CD1-CD1 3.71Å; F95-Y309 HydrophobicContact CD1-CD1 3.71Å; F95-Y309 AromaticContact CD1-CD2 3.65Å; F95-Y309 HydrophobicContact CD1-CD2 3.65Å; F95-Y309 AromaticContact CD1-CE1 3.63Å; F95-Y309 HydrophobicContact CD1-CE1 3.63Å; F95-Y309 AromaticContact CD1-CE2 3.58Å; F95-Y309 HydrophobicContact CD1-CE2 3.58Å; F95-Y309 AromaticContact CD1-CG 3.72Å; F95-Y309 HydrophobicContact CD1-CG 3.72Å; F95-Y309 AromaticContact CD1-CZ 3.57Å; F95-Y309 HydrophobicContact CD2-CG 4.44Å; F95-Y309 AromaticContact CE1-CD1 3.76Å; F95-Y309 HydrophobicContact CE1-CD1 3.76Å; F95-Y309 HydrophobicContact CE1-CD2 4.5Å; F95-Y309 AromaticContact CE1-CE1 3.81Å; F95-Y309 HydrophobicContact CE1-CE1 3.81Å; F95-Y309 HydrophobicContact CE1-CG 4.13Å; F95-Y309 HydrophobicContact CG-CD1 4.35Å; F95-Y309 AromaticContact CG-CD2 3.67Å; F95-Y309 HydrophobicContact CG-CD2 3.67Å; F95-Y309 AromaticContact CG-CE2 3.94Å; F95-Y309 HydrophobicContact CG-CE2 3.94Å; F95-Y309 AromaticContact CG-CG 3.9Å; F95-Y309 HydrophobicContact CG-CG 3.9Å; F95-Y309 HydrophobicContact CZ-CD1 4.46Å; V97-Y309 HydrophobicContact CG2-CE1 4.04Å; V97-Y309 WeakPolarHBondContact CG2-OH 3.44Å; W155-Y309 HydrophobicContact CZ2-CE1 4.38Å; W155-Y309 AromaticContact NE1-CE1 3.71Å; W155-Y309 AromaticContact NE1-CZ 3.8Å; W155-Y309 PolarHBondContact NE1-OH 3.49Å; E159-Y309 VanDerWaalsContact CD-OH 3.27Å; E159-Y309 PolarHBondContact OE1-OH 3.14Å; Y305-Y309 PolarHBondContact O-N 3.44Å; F306-Y309 HydrophobicContact CD2-CD1 4.3Å; F306-Y309 HydrophobicContact CE2-CD1 4.08Å; F306-Y309 HydrophobicContact CE2-CE1 4.39Å; F306-Y309 HydrophobicContact CZ-CD1 4.47Å; F306-Y309 WeakPolarHBondContact O-CB 3.22Å; F306-Y309 PolarHBondContact O-N 3.2Å; Q307-Y309 VanDerWaalsContact C-N 3.31Å; Q307-Y309 PolarHBondContact O-N 3.25Å; Y309-D311 VanDerWaalsContact C-N 3.28Å; Y309-D311 PolarHBondContact O-N 2.94Å; Y309-S312 WeakPolarHBondContact CA-OG 3.46Å; Y309-S312 PolarHBondContact O-N 3.15Å; Y309-S312 VanDerWaalsContact O-N 3.1Å; Y309-S312 PolarHBondContact O-OG 3.39Å; Y309-I313 HydrophobicContact CD1-CD1 4.45Å; Y309-I313 HydrophobicContact CE1-CD1 3.92Å; Y309-I313 HydrophobicContact CE2-CD1 4.42Å; Y309-I313 HydrophobicContact CE2-CG1 4.36Å; Y309-I313 WeakPolarHBondContact O-CG1 3.19Å; Y309-I313 PolarHBondContact O-N 3.36Å
310L75.7Confident69Low4 Ų472.7 Ų72.72%0.02137%0.365CS..Hα-helixtrans-57.4-41.4177.6-73.3-177.4000112.2L109 H151 W155 F306 Q307 I313L109-L310 HydrophobicContact CD2-CD1 4.02Å; H151-L310 PolarHBondContact NE2-O 3.29Å; W155-L310 HydrophobicContact CD2-CD2 4.24Å; W155-L310 HydrophobicContact CE3-CD2 4.4Å; W155-L310 HydrophobicContact CH2-CD2 4.33Å; W155-L310 HydrophobicContact CZ2-CD2 4.17Å; W155-L310 HydrophobicContact CZ3-CD2 4.44Å; F306-L310 HydrophobicContact CD1-CD1 3.86Å; F306-L310 HydrophobicContact CD1-CG 3.88Å; F306-L310 HydrophobicContact CE1-CD1 3.58Å; F306-L310 HydrophobicContact CE1-CD2 3.89Å; F306-L310 HydrophobicContact CE1-CG 3.61Å; F306-L310 HydrophobicContact CZ-CD2 4.16Å; F306-L310 HydrophobicContact CZ-CG 4.29Å; F306-L310 PolarHBondContact O-N 2.91Å; Q307-L310 PolarHBondContact O-N 3.21Å; Q307-L310 VanDerWaalsContact O-N 3.13Å; L310-I313 HydrophobicContact CD2-CD1 4.3Å
311D73.5Confident66.3Low117 Ų11776.5 Ų76.563%0.62639%0.385SS*.Hα-helixtrans-73.2-29.5178.2-65.3-25.6000112.6Q307 K308 Y309 I313Q307-D311 WeakPolarHBondContact O-CB 3.29Å; Q307-D311 VanDerWaalsContact O-CG 3.26Å; Q307-D311 PolarHBondContact O-N 3.16Å; K308-D311 PolarHBondContact O-N 3.4Å; Y309-D311 VanDerWaalsContact C-N 3.28Å; Y309-D311 PolarHBondContact O-N 2.94Å; D311-I313 VanDerWaalsContact C-N 3.26Å; D311-I313 PolarHBondContact O-N 2.86Å
312S71.1Confident64.1Low55 Ų5572.3 Ų72.339%0.38536%0.363SS..Hα-helixtrans-72.2-20177.876.80000113.3K308 Y309 R314K308-S312 VanDerWaalsContact O-CB 3.23Å; K308-S312 WeakPolarHBondContact O-CB 3.38Å; K308-S312 PolarHBondContact O-N 3.05Å; K308-S312 PolarHBondContact O-OG 3.46Å; Y309-S312 WeakPolarHBondContact CA-OG 3.46Å; Y309-S312 PolarHBondContact O-N 3.15Å; Y309-S312 VanDerWaalsContact O-N 3.1Å; Y309-S312 PolarHBondContact O-OG 3.39Å; S312-R314 PolarHBondContact O-N 3.29Å
313I66.5Low62Low15 Ų1569.2 Ų69.28%0.07734%0.341CS..SBendtrans-67102.3174.4-61.7157.9000106.5H151 W155 Y309 L310 D311 Y315H151-I313 PolarHBondContact CE1-O 3.13Å; W155-I313 HydrophobicContact CB-CD1 4.22Å; W155-I313 HydrophobicContact CD2-CD1 4.41Å; W155-I313 HydrophobicContact CG-CD1 3.68Å; Y309-I313 HydrophobicContact CD1-CD1 4.45Å; Y309-I313 HydrophobicContact CE1-CD1 3.92Å; Y309-I313 HydrophobicContact CE2-CD1 4.42Å; Y309-I313 HydrophobicContact CE2-CG1 4.36Å; Y309-I313 WeakPolarHBondContact O-CG1 3.19Å; Y309-I313 PolarHBondContact O-N 3.36Å; L310-I313 HydrophobicContact CD2-CD1 4.3Å; D311-I313 VanDerWaalsContact C-N 3.26Å; D311-I313 PolarHBondContact O-N 2.86Å; I313-Y315 PolarHBondContact O-N 3.25Å
314R55.8Low60.3Low197 Ų19772.5 Ų72.574%0.74336%0.362SS*.  trans-65.1134.3173.3-65.8-178.963.2166.4-0.5108.8S312 I316S312-R314 PolarHBondContact O-N 3.29Å; R314-I316 HydrophobicContact CB-CD1 3.9Å; R314-I316 HydrophobicContact CB-CG1 3.89Å; R314-I316 WeakPolarHBondContact O-CG1 3.46Å; R314-I316 PolarHBondContact O-N 2.67Å
315Y50.4Low59Low112 Ų11278 Ų7844%0.43937%0.373SS..  trans-54.7112.4161.1-171.5-94000106.9L154 I313L154-Y315 HydrophobicContact CD1-CD2 3.86Å; L154-Y315 HydrophobicContact CD1-CE2 3.44Å; L154-Y315 VanDerWaalsContact CD1-CE2 3.44Å; I313-Y315 PolarHBondContact O-N 3.25Å
316I51.3Low57.7Low52 Ų5277.6 Ų77.627%0.26738%0.375SS..  trans-127.8117.5-170.1-87170.3000108R314 E318R314-I316 HydrophobicContact CB-CD1 3.9Å; R314-I316 HydrophobicContact CB-CG1 3.89Å; R314-I316 WeakPolarHBondContact O-CG1 3.46Å; R314-I316 PolarHBondContact O-N 2.67Å; I316-E318 HydrophobicContact CG2-CB 3.34Å; I316-E318 HydrophobicContact CG2-CG 3.56Å; I316-E318 VanDerWaalsContact CG2-N 3.31Å; I316-E318 PolarHBondContact O-N 2.92Å
317D42.6Very low56.2Low119 Ų11980.2 Ų80.264%0.63639%0.387SS*.THydrogen-bonded Turntrans-58.9-11.1173.2-64.3-48.7000113.2L319D317-L319 VanDerWaalsContact C-N 3.25Å; D317-L319 PolarHBondContact O-N 3.1Å; D317-L319 VanDerWaalsContact O-N 3.17Å
318E46.2Very low54.5Low114 Ų11483.1 Ų83.153%0.53341%0.409SS..THydrogen-bonded Turntrans-74.7-1.4-172.5-58.8173.3170.300115.3I316 Q320 N321 L322I316-E318 HydrophobicContact CG2-CB 3.34Å; I316-E318 HydrophobicContact CG2-CG 3.56Å; I316-E318 VanDerWaalsContact CG2-N 3.31Å; I316-E318 PolarHBondContact O-N 2.92Å; E318-Q320 PolarHBondContact O-N 3.08Å; E318-N321 WeakPolarHBondContact O-CB 3.48Å; E318-N321 PolarHBondContact O-N 3.44Å; E318-L322 PolarHBondContact O-N 3.08Å
319L45.5Very low52.4Low21 Ų2181.6 Ų81.611%0.1141%0.408CS..Hα-helixtrans-60.4-32.4179.1-91163.2000113.2L154 Q157 K158 L161 D317 N321 S323L154-L319 HydrophobicContact CB-CD1 3.52Å; L154-L319 HydrophobicContact CD2-CD1 3.36Å; L154-L319 HydrophobicContact CG-CD1 3.92Å; Q157-L319 HydrophobicContact CB-CD1 4.42Å; Q157-L319 HydrophobicContact CB-CD2 3.93Å; K158-L319 HydrophobicContact CB-CD2 4.14Å; L161-L319 HydrophobicContact CD1-CD2 3.75Å; D317-L319 VanDerWaalsContact C-N 3.25Å; D317-L319 PolarHBondContact O-N 3.1Å; D317-L319 VanDerWaalsContact O-N 3.17Å; L319-N321 VanDerWaalsContact C-N 3.28Å; L319-N321 PolarHBondContact O-N 3.2Å; L319-S323 PolarHBondContact O-N 3.21Å
320Q43.3Very low50.5Low141 Ų14189.5 Ų89.566%0.65945%0.445SS*.Hα-helixtrans-61.6-38173-89.1-175.3-13.400112.1E318E318-Q320 PolarHBondContact O-N 3.08Å
321N37.3Very low48.4Very low107 Ų10793.2 Ų93.257%0.57248%0.476SS*.Hα-helixtrans-74.2-37.7-176.9-72.5-24.2000113.1E318 L319E318-N321 WeakPolarHBondContact O-CB 3.48Å; E318-N321 PolarHBondContact O-N 3.44Å; L319-N321 VanDerWaalsContact C-N 3.28Å; L319-N321 PolarHBondContact O-N 3.2Å
322L44.8Very low46.3Very low45 Ų4595 Ų9524%0.23649%0.485CS..Hα-helixtrans-68.3-36.5-178.1-71.7170.1000112.3E318 V324 K325 L326E318-L322 PolarHBondContact O-N 3.08Å; L322-V324 VanDerWaalsContact C-N 3.34Å; L322-V324 PolarHBondContact O-N 2.87Å; L322-K325 PolarHBondContact O-N 3.26Å; L322-L326 WeakPolarHBondContact O-CD1 3.47Å; L322-L326 PolarHBondContact O-N 3.34Å
323S44.2Very low44.1Very low15 Ų1598.1 Ų98.111%0.10550%0.502CS..Hα-helixtrans-67.7-34.9-177.3113.70000112.3R206 L319 K325R206-S323 PolarHBondContact NH1-OG 2.85Å; R206-S323 VanDerWaalsContact NH1-OG 3.11Å; R206-S323 PolarHBondContact NH2-O 3.37Å; R206-S323 PolarHBondContact NH2-OG 2.83Å; L319-S323 PolarHBondContact O-N 3.21Å; S323-K325 VanDerWaalsContact C-N 3.32Å; S323-K325 PolarHBondContact O-N 2.87Å
324V49.6Very low42.2Very low101 Ų101104.7 Ų104.761%0.61254%0.538SS*.Hα-helixtrans-68-30.5176.4179.30000112.1L322L322-V324 VanDerWaalsContact C-N 3.34Å; L322-V324 PolarHBondContact O-N 2.87Å
325K51.8Low40.9Very low161 Ų161100.6 Ų100.670%0.754%0.539SS*.Hα-helixtrans-73.4-33.5-177.6-72.6179.3179.5179.50114L322 S323L322-K325 PolarHBondContact O-N 3.26Å; S323-K325 VanDerWaalsContact C-N 3.32Å; S323-K325 PolarHBondContact O-N 2.87Å
326L49.1Very low39.7Very low56 Ų56101.3 Ų101.329%0.29356%0.555SS.*Hα-helixtrans-81.4-32.2-171.4-71.1151.1000113.9L161 L322L161-L326 HydrophobicContact CB-CD1 3.67Å; L161-L326 HydrophobicContact CD2-CD1 3.7Å; L161-L326 HydrophobicContact CG-CD1 4.27Å; L161-L326 WeakPolarHBondContact O-CD1 3.19Å; L161-L326 WeakPolarHBondContact O-CD2 3.49Å; L322-L326 WeakPolarHBondContact O-CD1 3.47Å; L322-L326 PolarHBondContact O-N 3.34Å
327E45.9Very low38.5Very low55 Ų55107.5 Ų107.526%0.25758%0.583SS.*SBendtrans-136.692.6170.5-70-173.3171.900106.7L207 N329L207-E327 HydrophobicContact CD2-CG 4.16Å; E327-N329 PolarHBondContact O-N 3.1Å
328P43.3Very low37.7Very low90 Ų90109.8 Ų109.858%0.58460%0.595SS**  trans-52.9140.4168.2-19.829.5000108.6Q330P328-Q330 PolarHBondContact O-N 3.39Å
329N35.5Very low36.7Very low123 Ų123109 Ų10966%0.65861%0.609SS**  trans-52.5119.3162.7-80.2-22.4000106.4E327 A331E327-N329 PolarHBondContact O-N 3.1Å; N329-A331 VanDerWaalsContact C-N 3.29Å; N329-A331 PolarHBondContact O-N 3.23Å
330Q37.1Very low35.7Very low179 Ų179116.8 Ų116.884%0.83665%0.649SS**  trans-6194.5-179-77173.2-21.400108.5P328 L332P328-Q330 PolarHBondContact O-N 3.39Å; Q330-L332 PolarHBondContact O-N 3.06Å
331A31.6Very low34.7Very low82 Ų82116.4 Ų116.468%0.67865%0.651SS**  trans-71.5116.5164.900000106.2N329 T333N329-A331 VanDerWaalsContact C-N 3.29Å; N329-A331 PolarHBondContact O-N 3.23Å; A331-T333 PolarHBondContact O-N 3.1Å
332L28.8Very low34Very low155 Ų155121.4 Ų121.481%0.81266%0.663SS**  trans-56.3102.8170.1-66.8165.5000107.7Q330 D334Q330-L332 PolarHBondContact O-N 3.06Å; L332-D334 PolarHBondContact O-N 2.74Å
333T26.4Very low33Very low121 Ų121127 Ų12774%0.74269%0.692SS**  trans-80.3105.4170.153.30000107.4A331 S335A331-T333 PolarHBondContact O-N 3.1Å; T333-S335 PolarHBondContact O-N 2.77Å
334D26.3Very low32Very low153 Ų153130.9 Ų130.982%0.81873%0.725SS**  trans-57101.5164.3-72.5-37.9000108.9L332L332-D334 PolarHBondContact O-N 2.74Å
335S27.4Very low30.7Very low110 Ų110131.9 Ų131.977%0.76973%0.731SS**  trans-147.753165.8-65.50000108.8T333 E337T333-S335 PolarHBondContact O-N 2.77Å; S335-E337 PolarHBondContact O-N 2.73Å
336T25.5Very low29.4Very low128 Ų128129.4 Ų129.479%0.78573%0.734SS**  trans-72.9105.9153.443.50000107.5
337E26.4Very low28.1Very low181 Ų181131.7 Ų131.785%0.84676%0.755SS**SBendtrans-161.2-14.8143.8-116.2172-168.700117.4S335S335-E337 PolarHBondContact O-N 2.73Å
338N24.7Very low27.2Very low168 Ų168136.7 Ų136.790%0.89878%0.783SS**SBendtrans-127.626.9-167.6-81.2-25.7000118.6
339A26.3Very low26.1Very low98 Ų98135.3 Ų135.381%0.8179%0.785SS**  trans-127.118.617900000115.7
340L24.1Very low25.5Very low183 Ų183138 Ų13896%0.95879%0.791SS**  trans-102.366.1170.4-81.1168.4000110.4
341D23Very low24.7Very low133 Ų133138 Ų13871%0.71179%0.788SS**  trans-152.1135152.9-163.424.2000109.8
342R22.5Very low24.2Very low213 Ų213139.4 Ų139.480%0.80479%0.793SS**SBendtrans97.8122172.4-54.1167.5-175.7-113.5-5116.9
343L24.2Very low23.9Very low162 Ų162140.6 Ų140.685%0.84880%0.8SS**  trans98.259.8160.4-60.1148000115.9
344A21.5Very low23.5Very low97 Ų97139.2 Ų139.280%0.80280%0.795SS**  trans-79.8121.3137.500000109
345T23.6Very low23.3Very low122 Ų122140.5 Ų140.575%0.74880%0.801SS**  trans-172.1140152.129.30000111.3
346S24.7Very low23.1Very low108 Ų108141.4 Ų141.476%0.75580%0.802SS**  trans63.2112.1169.458.60000117.6
347S22.1Very low23Very low105 Ų105141 Ų14173%0.73480%0.801SS**  78.6145.951.791.20000115.4
348D25.2Very low22.8Very low160 Ų160141.9 Ų141.986%0.85681%0.806SS**  trans78.4131.3-173.8-57-20.5000115.8
349G20.5Very low22.7Very low60 Ų60139.1 Ų139.162%0.61980%0.799SS**  cis147.8139.86.600000108.8
350F22.9Very low22.5Very low179 Ų179138.7 Ų138.779%0.78579%0.791SS**  trans101.4124.8155.9-65.7-77.8000123.5
351K21.8Very low22.5Very low179 Ų179139.8 Ų139.878%0.77879%0.788SS**  trans60.998.2136.1-70.1162179.5174.10117.9
352S19.9Very low22.5Very low112 Ų112137.8 Ų137.878%0.78378%0.784SS**  51.2106.280.8-1720000114.3
353L22Very low22.6Very low180 Ų180136.8 Ų136.894%0.94279%0.786SS**  trans-155.5122.1141.4-91.3178.9000109.9
354S19.2Very low22.6Very low93 Ų93137.7 Ų137.765%0.6579%0.785SS**  trans-84.5133177167.90000110.3
355L21.4Very low22.6Very low180 Ų180138 Ų13894%0.94278%0.782SS**  trans-146.9116.1152.1-75.7179.9000110.3
356T22.9Very low22.8Very low128 Ų128139.6 Ų139.679%0.78578%0.781SS**  trans-81.9166.9-179.331.70000113.2
357P24.2Very low22.7Very low119 Ų119145.5 Ų145.577%0.77379%0.787SS**  trans-99.5149.1-154.636.6-31.2000114.1
358Q23.1Very low22.8Very low200 Ų200150.1 Ų150.194%0.93579%0.793SS**  trans-101.1110.6167.2-75.7-172.1-10.100111.5
359S20.6Very low22.7Very low110 Ų110149 Ų14977%0.76979%0.792SS**  trans-66.5141.7157.9152.10000110.2
360S24Very low22.8Very low89 Ų89155.9 Ų155.962%0.62281%0.809SS**  178.4129.3127.437.30000114.7
361K23.9Very low22.8Very low206 Ų206152.7 Ų152.790%0.89681%0.808SS**  trans69144.4131.4-62.5172.1-170.9175.50117.3
362S23Very low23Very low92 Ų92152.7 Ų152.764%0.64382%0.816SS**  cis-179.6132.33.8155.50000109.1
363K23.6Very low23Very low192 Ų192151.1 Ų151.184%0.83582%0.817SS**  trans57150.7133.3-57.3-178.5175.9-178.30124.6
364Q25Very low23Very low180 Ų180146.1 Ų146.184%0.84181%0.809SS**  trans93.5112.9160.2-67.3179.6-27.300115.5
365S21.8Very low23.1Very low105 Ų105147 Ų14773%0.73482%0.815SS**  cis84.4141.328.1-159.50000117
366H27Very low23.1Very low155 Ų155145.7 Ų145.772%0.71881%0.809SS**  trans102.8137.6179.1-55.6-58000115.2
367R23.7Very low23.1Very low232 Ų232147.9 Ų147.988%0.87582%0.815SS**  cis-163.4160.61.2-123.5177.3-171.6166.32.6109.4
368K22.7Very low22.9Very low201 Ų201147.3 Ų147.387%0.87481%0.811SS**  trans-101.1152.6-177.6-70174.3172.8177.10113.1
369T22.5Very low22.9Very low137 Ų137149.4 Ų149.484%0.8481%0.811SS**  trans-148.9108.7161.452.90000107.8
370Q23.7Very low22.8Very low205 Ų205155.2 Ų155.296%0.95882%0.816SS**  70.8144.274.3-68.6-155.220.900117.2
371S23.9Very low22.7Very low111 Ų111158.5 Ų158.578%0.77683%0.826SS**  trans-122.9148.1-141148.90000112.1
372L25.5Very low22.5Very low180 Ų180155 Ų15594%0.94282%0.822SS**  trans-150.9138.5164.8-65.5170.4000106.4
373G19.3Very low22.3Very low78 Ų78153.5 Ų153.580%0.80482%0.82SS**  cis131.8120.811.700000109.5
374G21.4Very low22.2Very low76 Ų76151.6 Ų151.678%0.78482%0.817SS**  trans98.9148.7164.500000116.5
375S22.5Very low21.9Very low110 Ų110146.9 Ų146.977%0.76980%0.798SS**  cis-176.4138.5-9.613.50000107.7
376N20.5Very low21.9Very low154 Ų154147.4 Ų147.482%0.82479%0.789SS**  trans26.7125.7148-54.6-37.5000121.3
377L22.7Very low21.7Very low173 Ų173146.3 Ų146.391%0.90679%0.788SS**  -179.8143.6124.4-95.3151.5000112.6
378P21.6Very low21.6Very low107 Ų107139.3 Ų139.370%0.69577%0.768SS**  trans-101.2139.5-176.636.2-26000112.7
379R22.7Very low21.6Very low244 Ų244134 Ų13492%0.92175%0.753SS**  trans-142.4108.6167.8-153.3172.7-169.1-177.21.8113.1
380R18.3Very low21.6Very low233 Ų233133.4 Ų133.488%0.87974%0.739SS**  trans27.4111.2136.8-149.7174.9-169.6-156.83.1120
381L20.5Very low21.7Very low157 Ų157128.3 Ų128.382%0.82272%0.724SS**  49.2139.6126.1-144.673.1000121.9
382V20.2Very low21.9Very low134 Ų134130 Ų13081%0.81272%0.717SS**  trans111.5106.9152.6-171.80000115.9
383G19.1Very low21.9Very low60 Ų60129.2 Ų129.262%0.61971%0.714SS**  98.6107.5123.200000120.7
384I21.4Very low22.5Very low151 Ų151126.9 Ų126.977%0.77469%0.688SS**  88.3128.1129-59164.5000120.1
385D20Very low23.2Very low82 Ų82130.4 Ų130.444%0.43968%0.677SS.*  trans77131.2149.4-80.8-5.5000127.5R133 K480R133-D385 IonicContact CZ-OD2 3.71Å; R133-D385 IonicContact NH1-OD2 2.77Å; R133-D385 IonicContact NH2-OD2 2.75Å; R133-D385 PolarHBondContact NH2-OD2 3.48Å; D385-K480 PolarHBondContact O-NZ 3.11Å; D385-K480 VanDerWaalsContact O-NZ 3.14Å
386Q21.7Very low23.9Very low116 Ų116131.7 Ų131.754%0.54267%0.665SS.*  trans63.9121.8131.8-63.2-178.436.300124.5R133R133-Q386 VanDerWaalsContact NH2-CD 3.25Å; R133-Q386 VanDerWaalsContact NH2-NE2 3.13Å
387N22.1Very low25.3Very low131 Ų131125.1 Ų125.170%0.70163%0.629SS**  trans64.9161.5136.1-58.3-3.5000120.5
388D21.5Very low26.4Very low85 Ų85119 Ų11946%0.45560%0.597SS.*  -165.4153.8-52.2-130-21.1000107.5K472D388-K472 IonicContact OD1-NZ 3.08Å; D388-K472 PolarHBondContact OD1-NZ 2.98Å
389T21.9Very low27.6Very low90 Ų90113.9 Ų113.955%0.55256%0.564SS**  trans90.4131.5149.50.60000127.1
390F23.6Very low28.7Very low124 Ų124105 Ų10554%0.54454%0.535SS..  trans81.4123.2150.8-62.7-68.2000125L403F390-L403 HydrophobicContact CB-CD1 4.44Å; F390-L403 HydrophobicContact CD2-CD1 3.48Å; F390-L403 VanDerWaalsContact CD2-CD1 3.48Å; F390-L403 HydrophobicContact CE2-CD1 3.99Å; F390-L403 HydrophobicContact CG-CD1 4.18Å
391P24.4Very low29.7Very low99 Ų9995.8 Ų95.864%0.64350%0.503SS*.  trans-103.1138.4165.436.9-26.3000113.3
392F28.9Very low30.6Very low145 Ų14590.4 Ų90.464%0.63648%0.479SS*.  trans-159.1142.6154.7-122.6-84.4000108.7N202 A394N202-F392 VanDerWaalsContact ND2-CD1 3.26Å; N202-F392 WeakPolarHBondContact ND2-CD1 3.42Å; N202-F392 WeakPolarHBondContact ND2-CG 3.44Å; F392-A394 PolarHBondContact O-N 3.09Å
393N26.7Very low31Very low164 Ų16487.1 Ų87.188%0.87746%0.456SS*.SBendtrans-70.218.3-178.6-110.5-18.4000114.8
394A31.7Very low31.3Very low30 Ų3090.2 Ų90.225%0.24846%0.458CS..SBendtrans-84.8109.3160.800000105.7F392 R396F392-A394 PolarHBondContact O-N 3.09Å; A394-R396 PolarHBondContact O-N 3.07Å
395R34.9Very low31.4Very low150 Ų15090.4 Ų90.457%0.56646%0.455SS*.  trans-47.2106.3176.5-74.5166.4170.5-163.7-8.7108.7S230 D231 S232S230-R395 PolarHBondContact OG-NH1 2.91Å; D231-R395 IonicContact OD1-CZ 3.14Å; D231-R395 IonicContact OD1-NE 2.73Å; D231-R395 PolarHBondContact OD1-NE 3.38Å; D231-R395 IonicContact OD1-NH1 2.66Å; D231-R395 PolarHBondContact OD1-NH1 3.08Å; D231-R395 IonicContact OD1-NH2 2.74Å; D231-R395 PolarHBondContact OD1-NH2 3.31Å; D231-R395 VanDerWaalsContact OD1-NH2 3.08Å; D231-R395 WeakPolarHBondContact OD2-CD 3.43Å; D231-R395 WeakPolarHBondContact OD2-CG 3.15Å; D231-R395 IonicContact OD2-CZ 3.64Å; D231-R395 IonicContact OD2-NE 2.67Å; D231-R395 IonicContact OD2-NH1 3.82Å; S232-R395 PolarHBondContact OG-NH2 3.29Å
396R36.8Very low31.6Very low136 Ų13695.6 Ų95.651%0.51348%0.475SS..  trans-78.1132.6-177.9-69.4-170.3-177.7-133.14.6109.2A394A394-R396 PolarHBondContact O-N 3.07Å
397H51.1Low31.6Very low16 Ų1695.3 Ų95.37%0.07449%0.485CS..  trans-95.6145.7-168.9174.3-96.3000110.8F149 F193 Y252 L399 D400F149-H397 AromaticContact CD1-CE1 3.9Å; F149-H397 AromaticContact CE1-CE1 3.3Å; F149-H397 WeakPolarHBondContact CE1-CE1 3.38Å; F149-H397 AromaticContact CE1-ND1 3.38Å; F149-H397 WeakPolarHBondContact CE1-ND1 3.49Å; F149-H397 AromaticContact CE2-CE1 3.4Å; F149-H397 VanDerWaalsContact CE2-CE1 3.4Å; F149-H397 WeakPolarHBondContact CE2-CE1 3.42Å; F149-H397 AromaticContact CE2-NE2 3.75Å; F149-H397 AromaticContact CZ-CE1 3.01Å; F149-H397 WeakPolarHBondContact CZ-CE1 3.32Å; F149-H397 AromaticContact CZ-ND1 3.54Å; F149-H397 AromaticContact CZ-NE2 3.4Å; F149-H397 WeakPolarHBondContact CZ-NE2 3.39Å; F193-H397 AromaticContact CD1-CD2 3.83Å; F193-H397 AromaticContact CD1-NE2 3.25Å; F193-H397 VanDerWaalsContact CD1-NE2 3.25Å; F193-H397 WeakPolarHBondContact CD1-NE2 3.3Å; F193-H397 AromaticContact CE1-CD2 3.06Å; F193-H397 WeakPolarHBondContact CE1-CD2 3.24Å; F193-H397 AromaticContact CE1-NE2 2.98Å; F193-H397 WeakPolarHBondContact CE1-NE2 3.41Å; F193-H397 AromaticContact CZ-CD2 3.41Å; F193-H397 VanDerWaalsContact CZ-CD2 3.41Å; F193-H397 WeakPolarHBondContact CZ-CD2 3.44Å; F193-H397 AromaticContact CZ-NE2 3.77Å; Y252-H397 AromaticContact CD2-NE2 3.78Å; Y252-H397 AromaticContact CE1-NE2 3.72Å; Y252-H397 AromaticContact CE2-CE1 3.12Å; Y252-H397 WeakPolarHBondContact CE2-CE1 3.41Å; Y252-H397 AromaticContact CE2-NE2 2.89Å; Y252-H397 WeakPolarHBondContact CE2-NE2 3.45Å; Y252-H397 AromaticContact CZ-CD2 3.62Å; Y252-H397 AromaticContact CZ-CE1 3.43Å; Y252-H397 VanDerWaalsContact CZ-CE1 3.43Å; Y252-H397 AromaticContact CZ-NE2 2.83Å; Y252-H397 PolarHBondContact OH-CD2 3.37Å; Y252-H397 PolarHBondContact OH-CE1 2.97Å; Y252-H397 VanDerWaalsContact OH-CE1 3.25Å; Y252-H397 PolarHBondContact OH-NE2 3.4Å; H397-L399 VanDerWaalsContact CE1-CG 3.47Å; H397-L399 WeakPolarHBondContact CE1-CG 3.48Å; H397-L399 PolarHBondContact ND1-N 2.93Å; H397-L399 VanDerWaalsContact ND1-N 3.12Å; H397-L399 PolarHBondContact O-N 3.31Å; H397-D400 HydrophobicContact CB-CB 4.29Å; H397-D400 PolarHBondContact O-N 3.39Å
398L46.3Very low31.5Very low44 Ų4494.7 Ų94.723%0.2349%0.491CS..THydrogen-bonded Turntrans-56.1-27.7-173.9-176.964.2000114L257L257-L398 HydrophobicContact CB-CD2 3.42Å; L257-L398 VanDerWaalsContact CB-CD2 3.42Å; L257-L398 HydrophobicContact CD1-CD2 4.03Å; L257-L398 HydrophobicContact CG-CD2 4.34Å
399L46.7Very low31.5Very low0 Ų096.5 Ų96.50%051%0.509CS..THydrogen-bonded Turntrans-91.2-10.6179.2-44.2-172.3000113.4I146 F149 N150 Y252 L257 H397 D401I146-L399 HydrophobicContact CB-CB 4.48Å; I146-L399 HydrophobicContact CD1-CD2 3.89Å; I146-L399 HydrophobicContact CG1-CB 4.3Å; I146-L399 HydrophobicContact CG1-CD1 4.41Å; I146-L399 HydrophobicContact CG1-CD2 3.49Å; I146-L399 VanDerWaalsContact CG1-CD2 3.49Å; I146-L399 HydrophobicContact CG1-CG 4.21Å; I146-L399 HydrophobicContact CG2-CB 4.04Å; I146-L399 WeakPolarHBondContact CG2-O 3.29Å; F149-L399 HydrophobicContact CB-CB 4.16Å; F149-L399 HydrophobicContact CB-CD1 3.88Å; F149-L399 HydrophobicContact CD1-CB 3.83Å; F149-L399 HydrophobicContact CD1-CD1 4.48Å; F149-L399 HydrophobicContact CD2-CD1 3.88Å; F149-L399 HydrophobicContact CE1-CB 4.43Å; F149-L399 HydrophobicContact CG-CB 3.98Å; F149-L399 HydrophobicContact CG-CD1 3.83Å; F149-L399 HydrophobicContact CG-CG 4.49Å; N150-L399 PolarHBondContact ND2-O 3.36Å; N150-L399 PolarHBondContact OD1-O 3.42Å; Y252-L399 HydrophobicContact CD2-CD1 4.23Å; Y252-L399 HydrophobicContact CE2-CD1 3.68Å; Y252-L399 HydrophobicContact CE2-CG 3.93Å; L257-L399 HydrophobicContact CD1-CD2 3.84Å; H397-L399 VanDerWaalsContact CE1-CG 3.47Å; H397-L399 WeakPolarHBondContact CE1-CG 3.48Å; H397-L399 PolarHBondContact ND1-N 2.93Å; H397-L399 VanDerWaalsContact ND1-N 3.12Å; H397-L399 PolarHBondContact O-N 3.31Å; L399-D401 PolarHBondContact O-N 2.94Å
400D44.6Very low31.4Very low57 Ų5799 Ų9931%0.30552%0.524SS..  trans-81.493.9-177.4-173.96.6000112.1N150 H397 S402N150-D400 WeakPolarHBondContact OD1-CA 3.28Å; H397-D400 HydrophobicContact CB-CB 4.29Å; H397-D400 PolarHBondContact O-N 3.39Å; D400-S402 VanDerWaalsContact OD1-CB 3.29Å; D400-S402 WeakPolarHBondContact OD1-CB 3.26Å; D400-S402 PolarHBondContact OD1-N 2.89Å; D400-S402 PolarHBondContact OD1-OG 3.25Å
401D40.2Very low31.4Very low41 Ų4197.5 Ų97.522%0.21954%0.535CS..  trans-96.214.6-177.9-90.32.8000112.8K135 N150 L399 L403 L404K135-D401 IonicContact NZ-OD2 3.99Å; K135-D401 PolarHBondContact NZ-OD2 3.46Å; K135-D401 VanDerWaalsContact NZ-OD2 3.09Å; N150-D401 PolarHBondContact ND2-N 3.33Å; L399-D401 PolarHBondContact O-N 2.94Å; D401-L403 PolarHBondContact O-N 2.91Å; D401-L404 PolarHBondContact O-N 2.75Å
402S39.6Very low31.4Very low43 Ų4398.1 Ų98.130%0.30154%0.541SS..THydrogen-bonded Turntrans-6415.5-166.4-51.10000117.2D400D400-S402 VanDerWaalsContact OD1-CB 3.29Å; D400-S402 WeakPolarHBondContact OD1-CB 3.26Å; D400-S402 PolarHBondContact OD1-N 2.89Å; D400-S402 PolarHBondContact OD1-OG 3.25Å
403L28.1Very low30.9Very low66 Ų6697.2 Ų97.235%0.34655%0.553SS.*THydrogen-bonded Turntrans-1329.3174.4-78.8175.2000115.2F390 D401F390-L403 HydrophobicContact CB-CD1 4.44Å; F390-L403 HydrophobicContact CD2-CD1 3.48Å; F390-L403 VanDerWaalsContact CD2-CD1 3.48Å; F390-L403 HydrophobicContact CE2-CD1 3.99Å; F390-L403 HydrophobicContact CG-CD1 4.18Å; D401-L403 PolarHBondContact O-N 2.91Å
404L24.7Very low30.7Very low125 Ų12594.4 Ų94.465%0.65455%0.547SS*.  trans-108.187.5176-65.3179.6000111.2D401D401-L404 PolarHBondContact O-N 2.75Å
405E23.9Very low30.2Very low154 Ų15498 Ų9872%0.7257%0.57SS**  trans-172.791.6145.6-103.9174.2-137.200109S407E405-S407 PolarHBondContact O-N 3Å
406F23.7Very low29.6Very low192 Ų19298.6 Ų98.684%0.84258%0.584SS**  trans-75.2119.2163.5-76.6-82.8000107.4S408F406-S408 PolarHBondContact O-N 2.88Å
407S22.5Very low28.9Very low109 Ų109100.9 Ų100.976%0.76260%0.6SS**  trans-48.6125.6-175.4-47.10000112E405 C409E405-S407 PolarHBondContact O-N 3Å; S407-C409 PolarHBondContact O-N 3.12Å
408S20.5Very low27.5Very low119 Ų119108.9 Ų108.983%0.83264%0.64SS**  trans-72109.9171.8-63.80000109F406 T410F406-S408 PolarHBondContact O-N 2.88Å; S408-T410 PolarHBondContact O-N 3.24Å
409C20.9Very low26.5Very low122 Ų122111.5 Ų111.582%0.82467%0.668SS**  trans-68.6126.1165.5-65.40000108.7S407 A411S407-C409 PolarHBondContact O-N 3.12Å; C409-A411 PolarHBondContact O-N 2.91Å; C409-A411 VanDerWaalsContact O-N 3.1Å
410T20.5Very low25.5Very low143 Ų143115 Ų11588%0.87770%0.704SS**  trans-58.2105.817647.50000110.7S408S408-T410 PolarHBondContact O-N 3.24Å
411A23.5Very low24.4Very low92 Ų92118.7 Ų118.776%0.7673%0.729SS**  trans-83.9114.8166.600000108.4C409 S413C409-A411 PolarHBondContact O-N 2.91Å; C409-A411 VanDerWaalsContact O-N 3.1Å; A411-S413 PolarHBondContact O-N 3.45Å
412S22.7Very low23.8Very low112 Ų112124.2 Ų124.278%0.78376%0.758SS**  trans-60123.3171.9470000110.8S414S412-S414 PolarHBondContact O-N 2.96Å
413S20.1Very low23.2Very low126 Ų126130.2 Ų130.288%0.88178%0.781SS**  trans-65.6105.3179.1-40.80000111.7A411A411-S413 PolarHBondContact O-N 3.45Å
414S22Very low23Very low106 Ų106133.7 Ų133.774%0.74181%0.805SS**  trans-98.5102.6157.743.80000108.7S412 L416S412-S414 PolarHBondContact O-N 2.96Å; S414-L416 PolarHBondContact O-N 3.03Å; S414-L416 VanDerWaalsContact O-N 3.17Å
415S21.1Very low23.1Very low106 Ų106131 Ų13174%0.74181%0.807SS**  trans-65102.4172.8150.40000109.7
416L22.4Very low23.1Very low162 Ų162131.1 Ų131.185%0.84881%0.813SS**  trans-94.8108.1164.4-79.1162.8000108.4S414S414-L416 PolarHBondContact O-N 3.03Å; S414-L416 VanDerWaalsContact O-N 3.17Å
417Q23Very low23.2Very low183 Ų183127 Ų12786%0.85581%0.807SS**  trans-66.2127.2174.9-76.7175-34.300110A419Q417-A419 PolarHBondContact O-N 2.93Å
418M20.5Very low23.3Very low184 Ų184125 Ų12591%0.90680%0.804SS**  trans-75.8113.9171.4-66.2-71.1-71.400108.7
419A26.1Very low23.7Very low100 Ų100128.7 Ų128.783%0.82681%0.808SS**PPolyproline II helixtrans-80.9134.9169.500000109.9Q417Q417-A419 PolarHBondContact O-N 2.93Å
420G24.2Very low23.8Very low74 Ų74131.4 Ų131.476%0.76381%0.809SS**PPolyproline II helixtrans-67.3148.7-173.300000114.3
421T23.4Very low23.9Very low134 Ų134130.2 Ų130.282%0.82281%0.806SS**PPolyproline II helixtrans-57.2126.8167.843.10000112.4
422D26.1Very low24.1Very low156 Ų156130.6 Ų130.683%0.83481%0.809SS**  trans-146.4125.7156.1-89-37.6000112
423H26.5Very low24.1Very low170 Ų170134.1 Ų134.179%0.78781%0.813SS**  trans28.7116.8152.3-92.9-60000124.1
424V24.3Very low24.4Very low139 Ų139136.5 Ų136.584%0.84281%0.81SS**  35.5118117.9-1730000119.4
425G27.5Very low24.4Very low67 Ų67137.2 Ų137.269%0.69181%0.81SS**  trans162.690.5160.700000109.3
426D24.1Very low24.5Very low158 Ų158141.4 Ų141.485%0.84582%0.816SS**  81.6134.499.2-162.220.4000114.2
427S25.3Very low24.6Very low104 Ų104138.6 Ų138.673%0.72781%0.808SS**  trans-26.2141-178.553.10000119.5
428G25.5Very low24.5Very low68 Ų68141.3 Ų141.370%0.70181%0.811SS**  trans170.5100.6164.800000114.8
429H27.3Very low24.8Very low197 Ų197139.7 Ų139.791%0.91281%0.806SS**  trans69.6113.5152.6-80.2-70.6000121.6
430E23.6Very low24.7Very low179 Ų179140 Ų14084%0.83680%0.802SS**  trans-57.8158157.2-64.5173.8135.900113.3
431S23.2Very low24.7Very low118 Ų118144 Ų14483%0.82581%0.805SS**  trans75.396.6152.160.40000118.9
432A27.3Very low24.6Very low99 Ų99143 Ų14382%0.81880%0.803SS**  trans-137.7120140.500000108.5E434A432-E434 PolarHBondContact O-N 2.79Å
433E22.9Very low24.5Very low187 Ų187140.2 Ų140.287%0.87480%0.795SS**  trans-68.2113.9177.4-60.3173.8142.300109.9
434E25.5Very low24.3Very low176 Ų176143 Ų14382%0.82280%0.8SS**  trans-100.498.5163.4-78.3-164.4163.900109.9A432 F436A432-E434 PolarHBondContact O-N 2.79Å; E434-F436 PolarHBondContact O-N 3.45Å
435T23.2Very low24.3Very low121 Ų121140.7 Ų140.774%0.74279%0.79SS**  trans-62.999.4169-61.90000108.6C437T435-C437 PolarHBondContact O-N 2.64Å
436F23.2Very low24.2Very low193 Ų193144.3 Ų144.385%0.84679%0.794SS**  trans-76.7103.8175.3-134.4-96.4000109.5E434 R438E434-F436 PolarHBondContact O-N 3.45Å; F436-R438 PolarHBondContact O-N 3.37Å
437C23Very low24.1Very low103 Ų103147.4 Ų147.470%0.69679%0.794SS**  trans-57.9121.9173.6-73.40000110.5T435 D439T435-C437 PolarHBondContact O-N 2.64Å; C437-D439 PolarHBondContact O-N 3.34Å; C437-D439 VanDerWaalsContact O-N 3.12Å
438R22.6Very low24.2Very low240 Ų240148.1 Ų148.191%0.90679%0.794SS**  trans-81.582.9179.5-168.6177.6-177.4156.10108.7F436 S440F436-R438 PolarHBondContact O-N 3.37Å; R438-S440 PolarHBondContact O-N 3.2Å
439D25.3Very low24.2Very low151 Ų151155.8 Ų155.881%0.80780%0.801SS**  trans-74.9126.9176-101.5-22.5000111.8C437 L441C437-D439 PolarHBondContact O-N 3.34Å; C437-D439 VanDerWaalsContact O-N 3.12Å; D439-L441 PolarHBondContact O-N 3.08Å
440S25.7Very low24.1Very low105 Ų105152.1 Ų152.173%0.73479%0.789SS**  trans-77.797.8-172.4-65.90000110.6R438 S442R438-S440 PolarHBondContact O-N 3.2Å; S440-S442 VanDerWaalsContact C-N 3.26Å; S440-S442 PolarHBondContact O-N 3.07Å
441L23.9Very low24.2Very low160 Ų160151.9 Ų151.984%0.83879%0.787SS**  trans-73.686.5161.6-88.9111.5000109.7D439 C443D439-L441 PolarHBondContact O-N 3.08Å; L441-C443 PolarHBondContact O-N 3.4Å
442S20.4Very low24.2Very low111 Ų111150 Ų15078%0.77677%0.774SS**  trans-79.4104.6159.558.20000108.3S440S440-S442 VanDerWaalsContact C-N 3.26Å; S440-S442 PolarHBondContact O-N 3.07Å
443C23.5Very low24.2Very low99 Ų99155.3 Ų155.367%0.66977%0.773SS**  trans-130106.7173.4-65.50000109.4L441L441-C443 PolarHBondContact O-N 3.4Å
444Y22.9Very low24.2Very low228 Ų228158 Ų15889%0.89478%0.775SS**  trans53.5101.9144.6-108.5-101.9000118.9D446Y444-D446 PolarHBondContact O-N 3.35Å
445S24.7Very low24.4Very low90 Ų90158.3 Ų158.363%0.62977%0.774SS**  trans-60.3113.3157.956.10000111.1
446D25.1Very low24.7Very low143 Ų143157.5 Ų157.577%0.76576%0.764SS**  trans-90.1109.8161-160.2-7.7000108.9Y444Y444-D446 PolarHBondContact O-N 3.35Å
447R23Very low25Very low224 Ų224153.7 Ų153.785%0.84575%0.753SS**  trans-9584.8179.6-71.1-176.4173.9-156.6-0.6108.2
448T27.1Very low25.4Very low119 Ų119155.3 Ų155.373%0.7375%0.752SS**  trans-121.8111160.943.80000109.7D450T448-D450 PolarHBondContact O-N 3.48Å
449R24.4Very low25.9Very low229 Ų229151 Ų15186%0.86475%0.746SS**  trans-60.4110.7177.4-74.1167.5161.4170.7-6.4109.6
450D25.8Very low26.6Very low120 Ų120149.1 Ų149.164%0.64274%0.736SS**  trans-127.285.6156.5-155.4-1.5000108.9T448 S452T448-D450 PolarHBondContact O-N 3.48Å; D450-S452 PolarHBondContact O-N 3.47Å
451H24.9Very low27.6Very low173 Ų173151.7 Ų151.780%0.80174%0.741SS**  trans-90.921.5-170.3-87.4-61.4000114
452S24.2Very low28.9Very low79 Ų79148.1 Ų148.155%0.55272%0.72SS**  trans-99.5-4-172.668.20000116.9D450D450-S452 PolarHBondContact O-N 3.47Å
453W26.7Very low30.6Very low211 Ų211144.2 Ų144.280%0.79969%0.693SS**  trans-103.720.8-170.9-57.9105.1000116.7
454R24.1Very low32.4Very low243 Ų243144.3 Ų144.392%0.91769%0.685SS**  trans-10180171.2-72.5-170-176.1178.41.7111.5
455K29.5Very low34.8Very low183 Ų183134 Ų13480%0.79665%0.646SS**  trans-146.363.5151.4-132.1177.7-175.41800110N457K455-N457 VanDerWaalsContact C-N 3.29Å; K455-N457 PolarHBondContact O-N 2.96Å; K455-N457 VanDerWaalsContact O-N 3.08Å
456L29.7Very low36.9Very low104 Ų104136.8 Ų136.855%0.54565%0.649SS.*  trans-65.3100.8153.2-157.276.5000104.5M458L456-M458 HydrophobicContact CD2-CE 3.62Å; L456-M458 HydrophobicContact CD2-CG 4.35Å; L456-M458 HydrophobicContact CD2-SD 3.81Å; L456-M458 HydrophobicContact CG-CE 3.94Å; L456-M458 PolarHBondContact O-N 3.02Å
457N29.3Very low39Very low113 Ų113130.8 Ų130.860%0.60462%0.621SS**  trans-64.389.5176.1-92.2-9.2000107.7K455 L459K455-N457 VanDerWaalsContact C-N 3.29Å; K455-N457 PolarHBondContact O-N 2.96Å; K455-N457 VanDerWaalsContact O-N 3.08Å; N457-L459 PolarHBondContact O-N 3.19Å; N457-L459 VanDerWaalsContact O-N 3.07Å
458M29.9Very low41Very low136 Ų136124.3 Ų124.367%0.6761%0.608SS**THydrogen-bonded Turntrans-77.126.1174.4-65-8375.100112.2L456L456-M458 HydrophobicContact CD2-CE 3.62Å; L456-M458 HydrophobicContact CD2-CG 4.35Å; L456-M458 HydrophobicContact CD2-SD 3.81Å; L456-M458 HydrophobicContact CG-CE 3.94Å; L456-M458 PolarHBondContact O-N 3.02Å
459L33.2Very low43.1Very low150 Ų150119.7 Ų119.779%0.78558%0.579SS**THydrogen-bonded Turntrans-94.3-7.7-170.6-98.4159.3000114.6N457N457-L459 PolarHBondContact O-N 3.19Å; N457-L459 VanDerWaalsContact O-N 3.07Å
460N40.2Very low45.2Very low111 Ų111117.4 Ų117.459%0.59457%0.571SS**SBendtrans-140.8152.6163.7-75.4-20.9000106.9E462N460-E462 HydrophobicContact CB-CB 4.09Å; N460-E462 HydrophobicContact CB-CG 3.96Å; N460-E462 WeakPolarHBondContact CB-OE2 3.37Å; N460-E462 PolarHBondContact ND2-OE2 3.14Å; N460-E462 VanDerWaalsContact ND2-OE2 3.11Å; N460-E462 PolarHBondContact O-N 2.91Å
461D47.2Very low47.7Very low160 Ų160116 Ų11686%0.85656%0.556SS**SBendtrans-61.720.2172.6-85.3-40.6000114.6K607D461-K607 PolarHBondContact O-NZ 3.07Å
462E52Low50Low85 Ų85111.4 Ų111.440%0.39753%0.534SS..  trans-98.892.5-173.1-65.9178.5146.500109.3N460 I464N460-E462 HydrophobicContact CB-CB 4.09Å; N460-E462 HydrophobicContact CB-CG 3.96Å; N460-E462 WeakPolarHBondContact CB-OE2 3.37Å; N460-E462 PolarHBondContact ND2-OE2 3.14Å; N460-E462 VanDerWaalsContact ND2-OE2 3.11Å; N460-E462 PolarHBondContact O-N 2.91Å; E462-I464 VanDerWaalsContact C-N 3.31Å; E462-I464 HydrophobicContact CB-CD1 4.49Å; E462-I464 HydrophobicContact CB-CG1 4.31Å; E462-I464 PolarHBondContact O-N 2.91Å
463C55.9Low52.7Low28 Ų28109.9 Ų109.919%0.18952%0.522CS..  trans-72.888.7169.3-145.20000108.3C597 K600C463-C597 HydrophobicContact CB-CB 4.06Å; C463-C597 WeakPolarHBondContact CB-SG 3.46Å; C463-C597 WeakPolarHBondContact SG-CA 3.26Å; C463-C597 WeakPolarHBondContact SG-CB 3.38Å; C463-C597 CovalentContact SG-SG 2.07Å; C463-C597 PolarHBondContact SG-SG 2.99Å; C463-K600 HydrophobicContact CB-CD 4.43Å
464I61.7Low55.1Low101 Ų101102 Ų10252%0.51850%0.495SS..  trans-94.2122.6172.1-55.8174.4000107.5E462 P500E462-I464 VanDerWaalsContact C-N 3.31Å; E462-I464 HydrophobicContact CB-CD1 4.49Å; E462-I464 HydrophobicContact CB-CG1 4.31Å; E462-I464 PolarHBondContact O-N 2.91Å; I464-P500 HydrophobicContact CD1-CG 4.15Å; I464-P500 HydrophobicContact CG1-CG 4.36Å
465I71.8Confident57.8Low12 Ų1292.9 Ų92.96%0.06246%0.464CS..  trans-129.6131.4169.9-166.8171.8000109.1Q593 W594 C597I465-Q593 HydrophobicContact CD1-CB 4.29Å; I465-Q593 HydrophobicContact CD1-CG 3.86Å; I465-W594 HydrophobicContact CD1-CB 4.26Å; I465-W594 HydrophobicContact CD1-CD2 3.78Å; I465-W594 HydrophobicContact CD1-CE3 4.45Å; I465-W594 HydrophobicContact CD1-CG 3.66Å; I465-W594 HydrophobicContact CG1-CD2 4.25Å; I465-W594 HydrophobicContact CG1-CZ2 4.23Å; I465-W594 HydrophobicContact CG2-CD2 4.17Å; I465-W594 HydrophobicContact CG2-CE3 3.8Å; I465-W594 HydrophobicContact CG2-CH2 4.16Å; I465-W594 HydrophobicContact CG2-CZ2 4.5Å; I465-W594 HydrophobicContact CG2-CZ3 3.8Å; I465-C597 HydrophobicContact CB-CB 4.27Å; I465-C597 HydrophobicContact CG2-CB 3.77Å
466E69.3Low59.9Low148 Ų14889.5 Ų89.569%0.69245%0.449SS*.  trans-132.5147.8176.960.9177.7178.100109.9
467G69.1Low62.1Low18 Ų1891.9 Ų91.919%0.18645%0.451CS..  trans158.7164.4177.900000113V469 Y543G467-V469 PolarHBondContact O-N 2.58Å; G467-Y543 WeakPolarHBondContact CA-OH 3.48Å
468P65.2Low64.2Low88 Ų8888.7 Ų88.757%0.57145%0.445SS*.  trans-70.4127.2178.827.7-32.6000110.4Y543P468-Y543 HydrophobicContact CB-CE2 4.08Å; P468-Y543 HydrophobicContact CG-CE2 4.42Å
469V70.1Confident65.9Low21 Ų2190.5 Ų90.513%0.12744%0.444CS..  trans-128.6133.6175.4-166.40000109.4G467 F570 F583 V585 W594G467-V469 PolarHBondContact O-N 2.58Å; V469-F570 HydrophobicContact CG1-CE1 4.44Å; V469-F570 HydrophobicContact CG1-CZ 4.29Å; V469-F583 HydrophobicContact CB-CD1 4.29Å; V469-F583 HydrophobicContact CG1-CB 3.59Å; V469-F583 HydrophobicContact CG1-CD1 3.47Å; V469-F583 VanDerWaalsContact CG1-CD1 3.47Å; V469-F583 HydrophobicContact CG1-CG 3.96Å; V469-V585 HydrophobicContact CB-CG1 4.11Å; V469-V585 HydrophobicContact CG1-CG1 3.59Å; V469-V585 HydrophobicContact CG2-CG1 3.78Å; V469-W594 HydrophobicContact CG2-CD2 4.06Å; V469-W594 HydrophobicContact CG2-CE3 4.37Å; V469-W594 HydrophobicContact CG2-CH2 3.75Å; V469-W594 HydrophobicContact CG2-CZ2 3.37Å; V469-W594 HydrophobicContact CG2-CZ3 4.23Å
470R69.9Low67Low181 Ų18188.9 Ų88.968%0.68343%0.431SS*.EExtended strand (participates in β ladder)trans-86.4117.1171.3-74-176174.7-176.3-0109.7F583 R584R470-F583 CarbonylContact O-C 3.55Å; R470-F583 WeakPolarHBondContact O-CA 3.35Å; R470-R584 HydrophobicContact CB-CB 4.47Å; R470-R584 PolarHBondContact N-O 3.35Å; R470-R584 PolarHBondContact O-N 3.34Å
471R77Confident67.3Low90 Ų9086.7 Ų86.734%0.3442%0.423SS..EExtended strand (participates in β ladder)trans-99.3137.3176.3-172.8-175.472.4-167-7.5112D494 Y581 R582 F583R471-D494 IonicContact CZ-OD2 3.74Å; R471-D494 IonicContact NH1-OD2 3.37Å; R471-D494 PolarHBondContact NH1-OD2 3.47Å; R471-D494 IonicContact NH2-OD2 2.7Å; R471-D494 PolarHBondContact NH2-OD2 3.4Å; R471-Y581 HydrophobicContact CG-CD1 4.15Å; R471-R582 CarbonylContact C-O 3.52Å; R471-R582 WeakPolarHBondContact CA-O 3.41Å; R471-F583 HydrophobicContact CB-CD1 3.75Å; R471-F583 HydrophobicContact CB-CE1 3.48Å; R471-F583 VanDerWaalsContact CB-CE1 3.48Å; R471-F583 HydrophobicContact CB-CZ 4.21Å; R471-F583 HydrophobicContact CG-CD1 3.96Å; R471-F583 HydrophobicContact CG-CE1 3.39Å; R471-F583 HydrophobicContact CG-CE2 4.29Å; R471-F583 HydrophobicContact CG-CZ 3.59Å
472K74.3Confident67Low77 Ų7787.4 Ų87.434%0.33542%0.421SS..EExtended strand (participates in β ladder)trans-123.5123.9165.6-176.4179.9179.4-1790109.3D388 I474 Y581 R582D388-K472 IonicContact OD1-NZ 3.08Å; D388-K472 PolarHBondContact OD1-NZ 2.98Å; K472-I474 HydrophobicContact CB-CD1 4.41Å; K472-I474 HydrophobicContact CD-CD1 3.9Å; K472-I474 HydrophobicContact CG-CD1 3.96Å; K472-I474 PolarHBondContact O-N 2.95Å; K472-Y581 CarbonylContact O-C 3.52Å; K472-Y581 WeakPolarHBondContact O-CA 3.4Å; K472-R582 PolarHBondContact N-O 3.39Å; K472-R582 PolarHBondContact O-N 3.47Å
473T80.2Confident66.1Low48 Ų4888.5 Ų88.529%0.29443%0.433SS..EExtended strand (participates in β ladder)trans-74.5118.2170-54.30000109.1K476 P481 Y581T473-K476 HydrophobicContact CG2-CB 4.31Å; T473-P481 HydrophobicContact CG2-CG 3.8Å; T473-Y581 HydrophobicContact CG2-CD1 4.02Å; T473-Y581 HydrophobicContact CG2-CE1 3.71Å; T473-Y581 WeakPolarHBondContact OG1-CD1 3.34Å; T473-Y581 VanDerWaalsContact OG1-CE1 3.29Å; T473-Y581 WeakPolarHBondContact OG1-CE1 3.37Å
474I77.7Confident64.9Low46 Ų4689.2 Ų89.224%0.23644%0.439CS..EExtended strand (participates in β ladder)trans-91.4-46.3179-52.5-59.5000109.8K472 P481 V580 R582K472-I474 HydrophobicContact CB-CD1 4.41Å; K472-I474 HydrophobicContact CD-CD1 3.9Å; K472-I474 HydrophobicContact CG-CD1 3.96Å; K472-I474 PolarHBondContact O-N 2.95Å; I474-P481 WeakPolarHBondContact O-CD 3.47Å; I474-V580 WeakPolarHBondContact CA-O 3.16Å; I474-V580 HydrophobicContact CB-CB 4.06Å; I474-V580 HydrophobicContact CB-CG1 3.82Å; I474-V580 WeakPolarHBondContact CB-O 3.43Å; I474-V580 HydrophobicContact CG1-CG1 4.14Å; I474-V580 HydrophobicContact CG2-CG1 4.26Å; I474-V580 PolarHBondContact N-O 2.95Å; I474-R582 HydrophobicContact CD1-CB 3.87Å; I474-R582 HydrophobicContact CG1-CB 3.91Å
475L79.9Confident63.6Low51 Ų5190.8 Ų90.827%0.26744%0.442SS..EExtended strand (participates in β ladder)trans-133.7137.6176.1-62174.3000109.8R479 K480 G578 H579 V580L475-R479 CarbonylContact C-O 3.56Å; L475-R479 WeakPolarHBondContact CA-O 3.46Å; L475-K480 HydrophobicContact CD2-CG 3.99Å; L475-G578 WeakPolarHBondContact CB-O 3.3Å; L475-H579 WeakPolarHBondContact O-CA 3.34Å; L475-V580 HydrophobicContact CB-CB 3.99Å; L475-V580 HydrophobicContact CB-CG2 4.14Å; L475-V580 HydrophobicContact CD1-CB 4.32Å; L475-V580 HydrophobicContact CD1-CG2 3.85Å; L475-V580 HydrophobicContact CG-CB 4.25Å; L475-V580 HydrophobicContact CG-CG2 4.3Å; L475-V580 PolarHBondContact N-O 2.77Å; L475-V580 VanDerWaalsContact N-O 3.08Å; L475-V580 PolarHBondContact O-N 2.85Å
476K74.4Confident61.6Low112 Ų11294.4 Ų94.449%0.48747%0.468SS..BIsolated β-bridgetrans-121.8125.9165.9-160-179.4-179.6-1800108.4T473 G478 R479 P481T473-K476 HydrophobicContact CG2-CB 4.31Å; K476-G478 VanDerWaalsContact C-N 3.26Å; K476-G478 PolarHBondContact O-N 3.23Å; K476-R479 PolarHBondContact N-O 3Å; K476-R479 PolarHBondContact O-N 2.86Å; K476-P481 HydrophobicContact CB-CG 4.28Å
477W76.8Confident59.6Low153 Ų15392.9 Ų92.958%0.5847%0.465SS*.THydrogen-bonded Turntrans52.740.2-174.2-54.7110.9000114.2R479 Q577 H579W477-R479 PolarHBondContact O-N 3.41Å; W477-R479 VanDerWaalsContact O-N 3.12Å; W477-Q577 CarbonylContact C-O 3.54Å; W477-Q577 WeakPolarHBondContact CA-O 3.49Å; W477-Q577 HydrophobicContact CE3-CB 3.77Å; W477-Q577 HydrophobicContact CE3-CG 4.21Å; W477-Q577 HydrophobicContact CH2-CB 4.34Å; W477-Q577 HydrophobicContact CH2-CG 4.05Å; W477-Q577 HydrophobicContact CZ3-CB 3.56Å; W477-Q577 HydrophobicContact CZ3-CG 3.47Å; W477-Q577 VanDerWaalsContact CZ3-CG 3.47Å; W477-H579 AromaticContact CD1-NE2 3.95Å; W477-H579 AromaticContact CD2-NE2 3.5Å; W477-H579 AromaticContact CE2-CE1 3.86Å; W477-H579 AromaticContact CE2-NE2 3.54Å; W477-H579 AromaticContact CE3-NE2 4Å; W477-H579 AromaticContact CG-NE2 3.78Å; W477-H579 AromaticContact CZ2-CE1 3.91Å; W477-H579 PolarHBondContact N-CD2 2.99Å; W477-H579 PolarHBondContact N-NE2 2.93Å; W477-H579 AromaticContact NE1-NE2 3.8Å
478G72.4Confident57.7Low46 Ų4696.7 Ų96.747%0.47448%0.484SS..THydrogen-bonded Turntrans69.33-176.200000115K476 Q577 G578K476-G478 VanDerWaalsContact C-N 3.26Å; K476-G478 PolarHBondContact O-N 3.23Å; G478-Q577 PolarHBondContact N-O 2.77Å; G478-G578 WeakPolarHBondContact CA-O 3.37Å; G478-G578 PolarHBondContact N-O 2.92Å
479R64.9Low55.9Low174 Ų17497 Ų9766%0.65749%0.489SS*.BIsolated β-bridgetrans-113.9144.8-179.8-61.4-176.7-175-174.72110.2L475 K476 W477L475-R479 CarbonylContact C-O 3.56Å; L475-R479 WeakPolarHBondContact CA-O 3.46Å; K476-R479 PolarHBondContact N-O 3Å; K476-R479 PolarHBondContact O-N 2.86Å; W477-R479 PolarHBondContact O-N 3.41Å; W477-R479 VanDerWaalsContact O-N 3.12Å
480K57.5Low53.7Low116 Ų11699.9 Ų99.950%0.50451%0.514SS..PPolyproline II helixtrans-58.1129.8165-72.5-177.5-179.4175.20107.3D385 L475 Q482D385-K480 PolarHBondContact O-NZ 3.11Å; D385-K480 VanDerWaalsContact O-NZ 3.14Å; L475-K480 HydrophobicContact CD2-CG 3.99Å; K480-Q482 PolarHBondContact O-N 2.97Å
481P45.6Very low51.6Low65 Ų6594.1 Ų94.142%0.42251%0.512SS..PPolyproline II helixtrans-49.6119.7172.9-25.533.2000109.5T473 I474 K476T473-P481 HydrophobicContact CG2-CG 3.8Å; I474-P481 WeakPolarHBondContact O-CD 3.47Å; K476-P481 HydrophobicContact CB-CG 4.28Å
482Q41.6Very low49.1Very low175 Ų17594.3 Ų94.382%0.81852%0.519SS*.PPolyproline II helixtrans-74.8134.8177.8-69.4-96.8-65.100108.2K480 S484K480-Q482 PolarHBondContact O-N 2.97Å; Q482-S484 VanDerWaalsContact C-N 3.27Å; Q482-S484 PolarHBondContact O-N 3.07Å
483V33.9Very low46.7Very low108 Ų10894.7 Ų94.766%0.65553%0.529SS*.  trans-73.283.3175.5-1710000107.8V488V483-V488 HydrophobicContact CG1-CG2 3.43Å; V483-V488 VanDerWaalsContact CG1-CG2 3.43Å
484S29Very low44.1Very low44 Ų4494.5 Ų94.531%0.30853%0.526SS..  trans-80.7125.2162.273.50000106.8Q482 S486 D487 V488Q482-S484 VanDerWaalsContact C-N 3.27Å; Q482-S484 PolarHBondContact O-N 3.07Å; S484-S486 PolarHBondContact O-N 2.79Å; S484-D487 PolarHBondContact O-N 3.49Å; S484-D487 VanDerWaalsContact OG-CB 3.24Å; S484-D487 WeakPolarHBondContact OG-CB 3.29Å; S484-D487 PolarHBondContact OG-OD2 3.5Å; S484-V488 WeakPolarHBondContact O-CG2 3.38Å; S484-V488 PolarHBondContact O-N 3.28Å
485F34.3Very low41.6Very low134 Ų13493.7 Ų93.759%0.58852%0.524SS*.THydrogen-bonded Turntrans-61.8-14.4-172.5-75-83.1000114.2Y262Y262-F485 HydrophobicContact CE1-CD2 4.42Å
486S31.1Very low39.1Very low88 Ų8892.9 Ų92.962%0.61552%0.52SS*.THydrogen-bonded Turntrans-78.7-29.5169.553.50000113.6S484S484-S486 PolarHBondContact O-N 2.79Å
487D27.7Very low36.8Very low115 Ų11590.1 Ų90.162%0.61551%0.508SS*.THydrogen-bonded Turntrans-101.9-0.6-170.3-57.9-29.9000113.8S484 S489S484-D487 PolarHBondContact O-N 3.49Å; S484-D487 VanDerWaalsContact OG-CB 3.24Å; S484-D487 WeakPolarHBondContact OG-CB 3.29Å; S484-D487 PolarHBondContact OG-OD2 3.5Å; D487-S489 PolarHBondContact O-N 3.05Å
488V27.8Very low34.4Very low98 Ų9883.6 Ų83.659%0.59449%0.485SS*.THydrogen-bonded Turntrans-64.2-4.4174.8-171.80000112.9V483 S484V483-V488 HydrophobicContact CG1-CG2 3.43Å; V483-V488 VanDerWaalsContact CG1-CG2 3.43Å; S484-V488 WeakPolarHBondContact O-CG2 3.38Å; S484-V488 PolarHBondContact O-N 3.28Å
489S27.9Very low32.2Very low96 Ų9685.9 Ų85.967%0.67149%0.486SS*.THydrogen-bonded Turntrans-100.8-5.4-175.966.80000116.4D487 G491D487-S489 PolarHBondContact O-N 3.05Å; S489-G491 PolarHBondContact O-N 2.86Å
490A24.8Very low30.4Very low80 Ų8079.6 Ų79.666%0.66147%0.468SS*.  trans-93.413.9-170.300000116.1I492A490-I492 VanDerWaalsContact C-N 3.34Å; A490-I492 PolarHBondContact O-N 3.08Å
491G25.1Very low28.8Very low61 Ų6178.1 Ų78.163%0.62947%0.471SS*.  trans-78.471.3-178.100000114.1S489S489-G491 PolarHBondContact O-N 2.86Å
492I23.5Very low27.7Very low94 Ų9483.4 Ų83.448%0.48249%0.493SS..  trans-78136.3168.6-58.5173.2000108.9A490 D494 K544A490-I492 VanDerWaalsContact C-N 3.34Å; A490-I492 PolarHBondContact O-N 3.08Å; I492-D494 PolarHBondContact O-N 2.74Å; I492-D494 VanDerWaalsContact O-N 3.12Å; I492-K544 HydrophobicContact CG2-CD 4.31Å; I492-K544 VanDerWaalsContact CG2-CE 3.48Å
493P24.3Very low26.9Very low85 Ų8582.4 Ų82.455%0.55249%0.488SS*.  trans-65.8109.4164.325.8-29.3000108.4C495P493-C495 PolarHBondContact O-N 2.07Å
494D26.4Very low26.3Very low44 Ų4486.6 Ų86.624%0.23550%0.497CS..PPolyproline II helixtrans-74.5120.8168.6-69.5-33.3000107.7R471 I492 I496 K544R471-D494 IonicContact CZ-OD2 3.74Å; R471-D494 IonicContact NH1-OD2 3.37Å; R471-D494 PolarHBondContact NH1-OD2 3.47Å; R471-D494 IonicContact NH2-OD2 2.7Å; R471-D494 PolarHBondContact NH2-OD2 3.4Å; I492-D494 PolarHBondContact O-N 2.74Å; I492-D494 VanDerWaalsContact O-N 3.12Å; D494-I496 PolarHBondContact O-N 2.93Å; D494-K544 IonicContact OD1-NZ 3.95Å
495C25.1Very low26Very low29 Ų2990.2 Ų90.220%0.19652%0.518CS..PPolyproline II helixtrans-67.4125.4159.5-67.60000107P493 F497 K544P493-C495 PolarHBondContact O-N 2.07Å; C495-F497 HydrophobicContact CB-CD2 4.05Å; C495-F497 HydrophobicContact CB-CE2 3.7Å; C495-K544 HydrophobicContact CB-CB 4.09Å; C495-K544 PolarHBondContact SG-O 3.14Å
496I26.9Very low25.3Very low33 Ų3391.7 Ų91.717%0.16953%0.531CS..PPolyproline II helixtrans-90.8128.9173.5-71.7-178.9000107D494 F583 W594 V609D494-I496 PolarHBondContact O-N 2.93Å; I496-F583 HydrophobicContact CD1-CD1 4.48Å; I496-F583 HydrophobicContact CD1-CE1 3.45Å; I496-F583 VanDerWaalsContact CD1-CE1 3.45Å; I496-F583 HydrophobicContact CD1-CZ 3.59Å; I496-W594 HydrophobicContact CG2-CZ3 4.44Å; I496-V609 HydrophobicContact CG2-CB 4.42Å; I496-V609 HydrophobicContact CG2-CG1 3.05Å; I496-V609 WeakPolarHBondContact CG2-OXT 3.43Å
497F26.1Very low24.9Very low54 Ų5490.4 Ų90.424%0.23753%0.531CS..  trans-126.2107.3-177.1-84.8-86.7000108.7C495 D499 A547 V609C495-F497 HydrophobicContact CB-CD2 4.05Å; C495-F497 HydrophobicContact CB-CE2 3.7Å; F497-D499 PolarHBondContact O-N 3.24Å; F497-A547 HydrophobicContact CB-CB 3.7Å; F497-A547 HydrophobicContact CD2-CB 3.53Å; F497-A547 HydrophobicContact CE2-CB 4.38Å; F497-A547 HydrophobicContact CG-CB 3.86Å; F497-V609 PolarHBondContact N-OXT 3.36Å; F497-V609 VanDerWaalsContact N-OXT 3.1Å; F497-V609 CarbonylContact O-C 3.56Å; F497-V609 VanDerWaalsContact O-C 3.24Å
498V27.3Very low24.7Very low17 Ų1791.5 Ų91.510%0.10354%0.542CS..  trans-75.791.7172.4-171.50000108.7P500 K608 V609V498-P500 WeakPolarHBondContact O-CD 3.34Å; V498-K608 WeakPolarHBondContact CA-O 3.28Å; V498-K608 WeakPolarHBondContact CG1-O 3.43Å; V498-V609 HydrophobicContact CG1-CG2 4.27Å; V498-V609 HydrophobicContact CG2-CB 4.26Å; V498-V609 HydrophobicContact CG2-CG1 3.89Å; V498-V609 HydrophobicContact CG2-CG2 3.95Å
499D25.7Very low24.4Very low94 Ų9492.1 Ų92.150%0.50355%0.551SS.*  trans-93.6115.9177.4-162.9-13.6000110.2F497 K608F497-D499 PolarHBondContact O-N 3.24Å; D499-K608 PolarHBondContact N-O 3.18Å
500P26.2Very low24.2Very low42 Ų4295 Ų9527%0.27356%0.559SS.*  trans-95.328.7-172.937.7-32.6000113.7I464 V498I464-P500 HydrophobicContact CD1-CG 4.15Å; I464-P500 HydrophobicContact CG1-CG 4.36Å; V498-P500 WeakPolarHBondContact O-CD 3.34Å
501C24.4Very low24Very low84 Ų84102.3 Ų102.357%0.56857%0.569SS**  trans-162.5121.7169-109.90000115.3
502M23.6Very low23.8Very low177 Ų177105.4 Ų105.487%0.87258%0.578SS**  trans-131.382.9143.3-85.6-72.1-97.300106.7K504M502-K504 PolarHBondContact O-N 3.49Å
503E23.2Very low23.7Very low153 Ų153106.9 Ų106.972%0.71559%0.591SS**  trans-56.4122.1153.8-96.8-175153.700107.5T505E503-T505 PolarHBondContact O-N 3.44Å
504K21.9Very low23.5Very low197 Ų197107.3 Ų107.386%0.85759%0.594SS**  trans-65.176.8166.8-74177.7175.8175.70108.3M502 L506M502-K504 PolarHBondContact O-N 3.49Å; K504-L506 PolarHBondContact O-N 3.01Å
505T22.4Very low23.2Very low120 Ų120113.1 Ų113.174%0.73662%0.624SS**  trans-74.785164.124.30000107.8E503 G507E503-T505 PolarHBondContact O-N 3.44Å; T505-G507 PolarHBondContact O-N 3.16Å
506L20.7Very low23Very low165 Ų165120.5 Ų120.586%0.86465%0.653SS**  trans-45.8117.5156.4-82.1143000108.8K504K504-L506 PolarHBondContact O-N 3.01Å
507G21.6Very low22.7Very low61 Ų61123.6 Ų123.663%0.62968%0.684SS**SBendtrans75.3100.1163.600000114.9T505T505-G507 PolarHBondContact O-N 3.16Å
508T23.6Very low22.4Very low137 Ų137133 Ų13384%0.8472%0.717SS**  169.1138116.838.30000108.4N510T508-N510 PolarHBondContact O-N 3.27Å
509S22.3Very low22.2Very low111 Ų111135.3 Ų135.378%0.77675%0.745SS**  trans-59.2105174.752.50000110.6
510N23.3Very low22Very low156 Ų156136.1 Ų136.183%0.83476%0.758SS**  trans-152.5102.6154.7-95.4-25.9000109T508T508-N510 PolarHBondContact O-N 3.27Å
511R20.5Very low21.8Very low234 Ų234139.1 Ų139.188%0.88378%0.78SS**PPolyproline II helixtrans-63.4135.2169.6-76.7178.6173.1174.1-2.1108.4V513R511-V513 PolarHBondContact O-N 3.01Å
512P20.6Very low21.7Very low127 Ų127144.7 Ų144.783%0.82580%0.795SS**PPolyproline II helixtrans-67120.7172.527.2-30000108.7
513V20.9Very low21.5Very low124 Ų124141 Ų14175%0.75279%0.792SS**PPolyproline II helixtrans-87.5121.8177.3177.70000108R511 I515R511-V513 PolarHBondContact O-N 3.01Å; V513-I515 PolarHBondContact O-N 3.25Å
514P20.7Very low21.5Very low95 Ų95138.6 Ų138.662%0.61779%0.79SS**PPolyproline II helixtrans-66.7123.8171.3-1528.6000109.6F516P514-F516 WeakPolarHBondContact O-CD2 3.44Å; P514-F516 PolarHBondContact O-N 2.76Å
515I19.8Very low21.5Very low166 Ų166137.8 Ų137.885%0.85179%0.789SS**  trans-69.6101.2176.1-62.6172.3000107.9V513 A517V513-I515 PolarHBondContact O-N 3.25Å; I515-A517 PolarHBondContact O-N 3.49Å
516F21.4Very low21.6Very low183 Ų183141.8 Ų141.880%0.80380%0.797SS**  trans-73.9107.5166.3-79.4-89.4000108.8P514 R518P514-F516 WeakPolarHBondContact O-CD2 3.44Å; P514-F516 PolarHBondContact O-N 2.76Å; F516-R518 PolarHBondContact O-N 3.39Å; F516-R518 VanDerWaalsContact O-N 3.13Å
517A21.2Very low21.7Very low99 Ų99140 Ų14082%0.81879%0.793SS**  trans-70.7105.4165.100000108.7I515 G519I515-A517 PolarHBondContact O-N 3.49Å; A517-G519 PolarHBondContact O-N 2.81Å
518R19.8Very low21.9Very low250 Ų250142.2 Ų142.294%0.94380%0.799SS**  trans-62119.8168.6-74.9177.5173.6179.5-1.9109.5F516F516-R518 PolarHBondContact O-N 3.39Å; F516-R518 VanDerWaalsContact O-N 3.13Å
519G22.1Very low21.9Very low67 Ų67141.1 Ų141.169%0.69180%0.797SS**  trans-125.9101.4163.200000109.4A517A517-G519 PolarHBondContact O-N 2.81Å
520S22Very low22.1Very low110 Ų110144.4 Ų144.477%0.76980%0.8SS**  trans29.9113.5155.555.80000119.9
521S21.3Very low22.1Very low105 Ų105142.4 Ų142.473%0.73480%0.796SS**  trans-4.9115.9140.857.20000116.9
522F22.6Very low22.2Very low202 Ų202142.8 Ų142.889%0.88680%0.798SS**  -171.7102128.7-109.1-81.1000106.4P524F522-P524 WeakPolarHBondContact O-CD 3.45Å
523A20.7Very low22.3Very low98 Ų98146.1 Ų146.181%0.8180%0.799SS**  trans-111.8101.5179.600000108.9
524P22.4Very low22.5Very low104 Ų104147.4 Ų147.468%0.67580%0.797SS**  trans-83.4128.4164.4-120.1000108.8F522 F526F522-P524 WeakPolarHBondContact O-CD 3.45Å; P524-F526 PolarHBondContact O-N 2.86Å
525Q22.4Very low22.5Very low179 Ų179148.2 Ų148.284%0.83680%0.803SS**  trans-65.4111.3176.4-65171.6-8.200110.1
526F23.6Very low22.7Very low204 Ų204150 Ų15090%0.89581%0.805SS**  trans-92.4100.6160.7-90.5-84.4000109.5P524P524-F526 PolarHBondContact O-N 2.86Å
527T23.5Very low23Very low127 Ų127147.2 Ų147.278%0.77980%0.803SS**  trans-82.6103.616450.60000109
528S24.8Very low23.2Very low109 Ų109147 Ų14776%0.76279%0.789SS**  trans-164.3113.3155.3176.90000109.7H530S528-H530 PolarHBondContact O-N 2.77Å
529S25Very low23.6Very low113 Ų113139.9 Ų139.979%0.7978%0.775SS**  trans-75.676.1-175.750.90000111.6
530H26.2Very low23.9Very low181 Ų181140.6 Ų140.684%0.83876%0.762SS**  trans-157.427.4166.3-126.478.1000117.4S528S528-H530 PolarHBondContact O-N 2.77Å
531C23.2Very low24.2Very low113 Ų113144.2 Ų144.276%0.76476%0.764SS**  trans-149.776.3169.5-141.30000112
532R22.1Very low24.7Very low242 Ų242148.1 Ų148.191%0.91377%0.769SS**  trans-107.126.2172.3-94.6-164.6-166-169.66.1113.8
533K23.3Very low25Very low198 Ų198143.8 Ų143.886%0.86175%0.747SS**SBendtrans-118.980.6161.3-74.8-173.3178.8177.70108.3C535K533-C535 PolarHBondContact O-N 2.72Å
534H24.6Very low25.6Very low150 Ų150141.6 Ų141.669%0.69472%0.72SS**  trans-37.7122166.2-80.4-92.5000111.1F536H534-F536 PolarHBondContact O-N 2.91Å
535C21.5Very low26.4Very low112 Ų112139.8 Ų139.876%0.75771%0.713SS**  29.969122-49.20000114.7K533 T537K533-C535 PolarHBondContact O-N 2.72Å; C535-T537 PolarHBondContact O-N 3.27Å
536F24Very low27.2Very low204 Ų204138.4 Ų138.490%0.89571%0.707SS**  trans-76.297.4145.3-84-80.7000105.6H534 D538H534-F536 PolarHBondContact O-N 2.91Å; F536-D538 PolarHBondContact O-N 3.37Å
537T26.2Very low28.3Very low124 Ų124130.6 Ų130.676%0.76168%0.679SS**  trans-32.7128.216046.70000110.3C535C535-T537 PolarHBondContact O-N 3.27Å
538D26.3Very low29.5Very low95 Ų95129.7 Ų129.751%0.50867%0.67SS.*  trans-21.6123.1178.7-145.6-26.3000115.4F536 L540F536-D538 PolarHBondContact O-N 3.37Å; D538-L540 PolarHBondContact O-N 2.9Å
539P27.9Very low30.8Very low101 Ų101133.9 Ų133.966%0.65667%0.669SS**THydrogen-bonded Turntrans-68.57.3-179.9-14.628.8000114.7F541P539-F541 VanDerWaalsContact C-N 3.28Å; P539-F541 PolarHBondContact O-N 3.11Å
540L27.9Very low32.5Very low81 Ų81132 Ų13242%0.42465%0.652SS.*THydrogen-bonded Turntrans-69.6-15.9-166.3-99163.8000115.3D538D538-L540 PolarHBondContact O-N 2.9Å
541F29.6Very low34.6Very low186 Ų186127.5 Ų127.582%0.81663%0.634SS**  trans-149.691.2174.6-71.5-87.2000110.6P539 Y543P539-F541 VanDerWaalsContact C-N 3.28Å; P539-F541 PolarHBondContact O-N 3.11Å; F541-Y543 PolarHBondContact O-N 3.38Å
542F30.1Very low37.1Very low187 Ų187124.6 Ų124.682%0.8262%0.615SS**  trans-72.779.1164.3-91.3-84.4000109.3
543Y30.1Very low39.7Very low111 Ų111113.3 Ų113.344%0.43557%0.572SS.*  trans-74.4123.6158.6-146-92.1000106.6G467 P468 F541 A545G467-Y543 WeakPolarHBondContact CA-OH 3.48Å; P468-Y543 HydrophobicContact CB-CE2 4.08Å; P468-Y543 HydrophobicContact CG-CE2 4.42Å; F541-Y543 PolarHBondContact O-N 3.38Å; Y543-A545 VanDerWaalsContact C-N 3.32Å; Y543-A545 PolarHBondContact O-N 2.77Å
544K33.9Very low42.4Very low53 Ų53106.6 Ų106.623%0.2355%0.55CS.*  trans-71.297166-91.1-172.8175.5-176.40106.8I492 D494 C495 H546 D548I492-K544 HydrophobicContact CG2-CD 4.31Å; I492-K544 VanDerWaalsContact CG2-CE 3.48Å; D494-K544 IonicContact OD1-NZ 3.95Å; C495-K544 HydrophobicContact CB-CB 4.09Å; C495-K544 PolarHBondContact SG-O 3.14Å; K544-H546 PolarHBondContact O-N 2.92Å; K544-H546 VanDerWaalsContact O-N 3.15Å; K544-D548 WeakPolarHBondContact CE-OD2 3.22Å; K544-D548 IonicContact NZ-OD2 3.95Å; K544-D548 PolarHBondContact NZ-OD2 3.11Å
545A38.7Very low45.1Very low66 Ų66102 Ų10255%0.54554%0.542SS..  trans-65.5-10.7178.200000113.3Y543Y543-A545 VanDerWaalsContact C-N 3.32Å; Y543-A545 PolarHBondContact O-N 2.77Å
546H39.6Very low48.3Very low150 Ų15098.2 Ų98.269%0.69451%0.512SS*.SBendtrans-126.5136.5179.4-61.6-66.6000111.2K544 D548K544-H546 PolarHBondContact O-N 2.92Å; K544-H546 VanDerWaalsContact O-N 3.15Å; H546-D548 PolarHBondContact O-N 2.54Å
547A46.5Very low51.3Low39 Ų3992.8 Ų92.832%0.32249%0.491SS..  trans-67.5109.117100000109.6F497 R549 V550F497-A547 HydrophobicContact CB-CB 3.7Å; F497-A547 HydrophobicContact CD2-CB 3.53Å; F497-A547 HydrophobicContact CE2-CB 4.38Å; F497-A547 HydrophobicContact CG-CB 3.86Å; A547-R549 VanDerWaalsContact C-N 3.27Å; A547-V550 HydrophobicContact CB-CG2 4.31Å
548D48.7Very low54.3Low109 Ų10987.5 Ų87.558%0.58346%0.459SS*.SBendtrans-78.3-17175.3-73.6-25.9000112.3K544 H546K544-D548 WeakPolarHBondContact CE-OD2 3.22Å; K544-D548 IonicContact NZ-OD2 3.95Å; K544-D548 PolarHBondContact NZ-OD2 3.11Å; H546-D548 PolarHBondContact O-N 2.54Å
549R51.7Low57.3Low197 Ų19785.3 Ų85.374%0.74345%0.448SS*.  trans-148.3127.4-179.8-65.2-174.2-174.9178.92.3109.8A547A547-R549 VanDerWaalsContact C-N 3.27Å
550V61.4Low60.2Low72 Ų7282.7 Ų82.744%0.43643%0.428SS..  trans-109.8124.9170.1178.30000107.3A547 K608 V609A547-V550 HydrophobicContact CB-CG2 4.31Å; V550-K608 HydrophobicContact CG1-CB 3.61Å; V550-K608 HydrophobicContact CG1-CD 4.04Å; V550-K608 HydrophobicContact CG1-CG 4.43Å; V550-V609 CarbonylContact C-O 3.5Å; V550-V609 WeakPolarHBondContact CA-O 3.14Å
551I68.6Low62.5Low87 Ų8779.8 Ų79.845%0.44642%0.417SS..  trans-124.2143.4-179.858.4170.8000110.1L553 V609I551-L553 HydrophobicContact CD1-CD2 3.76Å; I551-L553 HydrophobicContact CG1-CD2 4.12Å; I551-V609 PolarHBondContact N-O 2.89Å; I551-V609 PolarHBondContact O-N 3.41Å; I551-V609 VanDerWaalsContact O-O 3.05Å
552S76.2Confident64.6Low53 Ų5379.4 Ų79.437%0.37142%0.418SS..  trans-77.4131.9167-178.40000108.6C554S552-C554 VanDerWaalsContact C-N 3.34Å; S552-C554 WeakPolarHBondContact OG-CB 3.46Å; S552-C554 PolarHBondContact OG-N 3.19Å
553L77.1Confident66.7Low4 Ų473.4 Ų73.42%0.02140%0.395CS..  trans-96.211.7172.5-62.7-176.9000112.3I551 G555 W556 L572 L598 C602 V609I551-L553 HydrophobicContact CD1-CD2 3.76Å; I551-L553 HydrophobicContact CG1-CD2 4.12Å; L553-G555 PolarHBondContact O-N 3.07Å; L553-W556 VanDerWaalsContact CA-CD1 3.49Å; L553-W556 HydrophobicContact CB-CB 4.33Å; L553-W556 HydrophobicContact CB-CG 4.2Å; L553-W556 HydrophobicContact CD2-CD2 3.74Å; L553-W556 HydrophobicContact CD2-CE3 4.1Å; L553-W556 HydrophobicContact CD2-CG 4.05Å; L553-W556 HydrophobicContact CD2-CZ2 4.25Å; L553-W556 HydrophobicContact CD2-CZ3 4.49Å; L553-W556 VanDerWaalsContact O-CB 3.23Å; L553-W556 WeakPolarHBondContact O-CB 3.28Å; L553-W556 PolarHBondContact O-N 2.88Å; L553-L572 HydrophobicContact CD1-CD1 4.27Å; L553-L572 HydrophobicContact CD1-CD2 3.98Å; L553-L572 HydrophobicContact CD2-CD2 4.48Å; L553-L598 HydrophobicContact CD1-CD2 3.71Å; L553-C602 WeakPolarHBondContact O-CA 3.39Å; L553-C602 PolarHBondContact O-SG 3.18Å; L553-V609 HydrophobicContact CB-CG2 4.41Å; L553-V609 HydrophobicContact CD1-CB 3.61Å; L553-V609 HydrophobicContact CD1-CG1 3.59Å; L553-V609 HydrophobicContact CD1-CG2 3.6Å; L553-V609 HydrophobicContact CG-CB 3.81Å; L553-V609 HydrophobicContact CG-CG1 4.28Å; L553-V609 HydrophobicContact CG-CG2 3.9Å
554C80.2Confident68.7Low58 Ų5873.3 Ų73.339%0.39241%0.408SS..THydrogen-bonded Turntrans-54.9126.7177.7-173.20000110.7S552 W556 C602 P605S552-C554 VanDerWaalsContact C-N 3.34Å; S552-C554 WeakPolarHBondContact OG-CB 3.46Å; S552-C554 PolarHBondContact OG-N 3.19Å; C554-W556 VanDerWaalsContact C-N 3.29Å; C554-W556 PolarHBondContact O-N 3.36Å; C554-C602 WeakPolarHBondContact CA-O 3.49Å; C554-P605 HydrophobicContact CB-CB 4.49Å
555G81.1Confident70.7Confident52 Ų5279.4 Ų79.454%0.53644%0.435SS..THydrogen-bonded Turntrans79.23.4-17800000115.4L553 P575 C602L553-G555 PolarHBondContact O-N 3.07Å; G555-P575 WeakPolarHBondContact O-CD 3.4Å; G555-C602 PolarHBondContact N-O 3.25Å
556W88.2Confident72.5Confident33 Ų3378.9 Ų78.913%0.12542%0.422CS..  trans-77.5157.2169.3-68.254.8000110.4L553 C554 L572 Q573 E574 H579 Y581 C602L553-W556 VanDerWaalsContact CA-CD1 3.49Å; L553-W556 HydrophobicContact CB-CB 4.33Å; L553-W556 HydrophobicContact CB-CG 4.2Å; L553-W556 HydrophobicContact CD2-CD2 3.74Å; L553-W556 HydrophobicContact CD2-CE3 4.1Å; L553-W556 HydrophobicContact CD2-CG 4.05Å; L553-W556 HydrophobicContact CD2-CZ2 4.25Å; L553-W556 HydrophobicContact CD2-CZ3 4.49Å; L553-W556 VanDerWaalsContact O-CB 3.23Å; L553-W556 WeakPolarHBondContact O-CB 3.28Å; L553-W556 PolarHBondContact O-N 2.88Å; C554-W556 VanDerWaalsContact C-N 3.29Å; C554-W556 PolarHBondContact O-N 3.36Å; W556-L572 HydrophobicContact CB-CD2 4.11Å; W556-L572 HydrophobicContact CE3-CB 4.21Å; W556-L572 HydrophobicContact CE3-CD2 4.04Å; W556-Q573 CarbonylContact C-O 3.45Å; W556-Q573 WeakPolarHBondContact CA-O 3.16Å; W556-Q573 WeakPolarHBondContact CB-O 3.32Å; W556-E574 HydrophobicContact CD2-CB 3.71Å; W556-E574 HydrophobicContact CD2-CG 4.12Å; W556-E574 HydrophobicContact CE3-CB 3.77Å; W556-E574 HydrophobicContact CG-CB 4.45Å; W556-E574 HydrophobicContact CH2-CB 3.72Å; W556-E574 HydrophobicContact CH2-CG 4.31Å; W556-E574 HydrophobicContact CZ2-CB 3.64Å; W556-E574 VanDerWaalsContact CZ2-CD 3.49Å; W556-E574 HydrophobicContact CZ2-CG 3.73Å; W556-E574 WeakPolarHBondContact CZ2-OE2 3.12Å; W556-E574 HydrophobicContact CZ3-CB 3.78Å; W556-H579 HydrophobicContact CH2-CB 4.3Å; W556-Y581 HydrophobicContact CH2-CD2 4.32Å; W556-Y581 AromaticContact CH2-CE2 3.75Å; W556-Y581 HydrophobicContact CH2-CE2 3.75Å; W556-Y581 AromaticContact CZ3-CD2 3.83Å; W556-Y581 HydrophobicContact CZ3-CD2 3.83Å; W556-Y581 AromaticContact CZ3-CE2 3.73Å; W556-Y581 HydrophobicContact CZ3-CE2 3.73Å; W556-C602 VanDerWaalsContact O-CB 3.28Å; W556-C602 WeakPolarHBondContact O-CB 3.45Å
557M87.4Confident74.6Confident90 Ų9074.3 Ų74.344%0.44341%0.405SS..EExtended strand (participates in β ladder)trans-110134.9176-57.1-173.9-53.800110.1L572 Q573 P575M557-L572 CarbonylContact O-C 3.56Å; M557-L572 WeakPolarHBondContact O-CA 3.32Å; M557-Q573 HydrophobicContact CB-CB 4.38Å; M557-Q573 HydrophobicContact CE-CB 4.18Å; M557-Q573 PolarHBondContact N-O 3.43Å; M557-Q573 PolarHBondContact O-N 3.09Å; M557-P575 HydrophobicContact CE-CG 4.09Å; M557-P575 HydrophobicContact CG-CG 4.1Å; M557-P575 HydrophobicContact SD-CG 4.22Å
558V89.9Confident76.6Confident14 Ų1473.2 Ų73.29%0.08539%0.394CS..EExtended strand (participates in β ladder)trans-111120.7176.3-175.10000109.1M571 L572 A595 L598 K599V558-M571 CarbonylContact C-O 3.6Å; V558-M571 WeakPolarHBondContact CA-O 3.43Å; V558-L572 HydrophobicContact CG2-CD2 3.76Å; V558-L572 HydrophobicContact CG2-CG 4.27Å; V558-A595 HydrophobicContact CG1-CB 3.92Å; V558-L598 HydrophobicContact CG1-CB 4.31Å; V558-L598 HydrophobicContact CG2-CB 3.73Å; V558-K599 HydrophobicContact CB-CG 3.8Å; V558-K599 HydrophobicContact CG1-CG 4.35Å; V558-K599 HydrophobicContact CG2-CG 4.27Å; V558-K599 WeakPolarHBondContact O-CE 3.15Å
559V88.2Confident78.5Confident48 Ų4868.1 Ų68.129%0.29137%0.367SS..EExtended strand (participates in β ladder)trans-125.6131.4-174.7-172.80000109.1F570 M571V559-F570 CarbonylContact O-C 3.6Å; V559-F570 WeakPolarHBondContact O-CA 3.2Å; V559-M571 PolarHBondContact N-O 2.7Å; V559-M571 PolarHBondContact O-N 3.28Å
560M88.6Confident80.3Confident47 Ų4758.9 Ų58.923%0.23233%0.332CS..EExtended strand (participates in β ladder)trans-69.7149.6173.4-77.6-60.6-61.600110.8E562 F570 A591 L592 A595M560-E562 PolarHBondContact O-N 3.49Å; M560-F570 HydrophobicContact SD-CB 3.91Å; M560-A591 HydrophobicContact CE-CB 3.92Å; M560-L592 HydrophobicContact CE-CD2 3.82Å; M560-L592 HydrophobicContact CE-CG 4.19Å; M560-L592 HydrophobicContact CG-CD2 4.18Å; M560-L592 HydrophobicContact SD-CD2 4.02Å; M560-A595 HydrophobicContact CG-CB 4.38Å; M560-A595 HydrophobicContact SD-CB 3.61Å
561G77.2Confident81.7Confident19 Ų1957 Ų5720%0.19632%0.319CS..  trans-66.5124.1174.100000111.1N563 S569G561-N563 VanDerWaalsContact C-N 3.29Å; G561-S569 PolarHBondContact N-O 2.95Å
562E74.2Confident82.7Confident178 Ų17853 Ų5383%0.83230%0.299SS*.  trans-81.8-8.2177.5-64.4177.9177.600113.1M560 P564M560-E562 PolarHBondContact O-N 3.49Å; E562-P564 WeakPolarHBondContact O-CD 3.49Å
563N73.5Confident83.2Confident62 Ų6252.9 Ų52.933%0.33229%0.292SS..  trans-73.8111.7-179.2-176-8.6000109.9G561 F565 M566G561-N563 VanDerWaalsContact C-N 3.29Å; N563-F565 PolarHBondContact O-N 3.17Å; N563-F565 VanDerWaalsContact O-N 3.11Å; N563-F565 WeakPolarHBondContact OD1-CB 3.15Å; N563-F565 VanDerWaalsContact OD1-CD2 3.26Å; N563-F565 WeakPolarHBondContact OD1-CD2 3.08Å; N563-F565 PolarHBondContact OD1-N 3.24Å; N563-M566 HydrophobicContact CB-CB 4.43Å; N563-M566 CarbonylContact O-C 3.59Å; N563-M566 PolarHBondContact O-N 2.9Å
564P72.8Confident83.6Confident109 Ų10954 Ų5471%0.70830%0.297SS*.THydrogen-bonded Turntrans-63.4-20.7-178.725.9-33.6000112.8E562 M566E562-P564 WeakPolarHBondContact O-CD 3.49Å; P564-M566 VanDerWaalsContact C-N 3.31Å
565F74.4Confident83.6Confident181 Ų18155.1 Ų55.179%0.79430%0.303SS*.THydrogen-bonded Turntrans-80.5-8.8174.8-54.5-71.2000113.6N563N563-F565 PolarHBondContact O-N 3.17Å; N563-F565 VanDerWaalsContact O-N 3.11Å; N563-F565 WeakPolarHBondContact OD1-CB 3.15Å; N563-F565 VanDerWaalsContact OD1-CD2 3.26Å; N563-F565 WeakPolarHBondContact OD1-CD2 3.08Å; N563-F565 PolarHBondContact OD1-N 3.24Å
566M77.1Confident83.4Confident55 Ų5557.1 Ų57.127%0.27132%0.315SS..  trans-135.662.9178.7-62-170.4-177.800111.7N563 P564 D568 S569N563-M566 HydrophobicContact CB-CB 4.43Å; N563-M566 CarbonylContact O-C 3.59Å; N563-M566 PolarHBondContact O-N 2.9Å; P564-M566 VanDerWaalsContact C-N 3.31Å; M566-D568 PolarHBondContact O-N 2.78Å; M566-S569 WeakPolarHBondContact O-CB 3.48Å; M566-S569 PolarHBondContact O-N 3.28Å; M566-S569 PolarHBondContact O-OG 2.94Å
567P84.2Confident82.9Confident53 Ų5359.2 Ų59.234%0.34433%0.326SS..THydrogen-bonded Turntrans-70.6-12.7-176.332.5-37.6000112.9S569 Q588P567-S569 PolarHBondContact O-N 3.22Å; P567-Q588 HydrophobicContact CB-CB 4.05Å; P567-Q588 HydrophobicContact CB-CG 4.08Å; P567-Q588 WeakPolarHBondContact O-CA 3.48Å; P567-Q588 WeakPolarHBondContact O-CB 3.44Å; P567-Q588 WeakPolarHBondContact O-CG 3.47Å
568D87Confident82.6Confident16 Ų1656 Ų569%0.08632%0.316CS..THydrogen-bonded Turntrans-83.914.6177.675.3-41.6000114.1M566 R584 V585 G586M566-D568 PolarHBondContact O-N 2.78Å; D568-R584 WeakPolarHBondContact O-CA 3.36Å; D568-R584 IonicContact OD2-CZ 2.61Å; D568-R584 IonicContact OD2-NE 3.83Å; D568-V585 PolarHBondContact O-N 3.09Å; D568-V585 VanDerWaalsContact O-N 3.12Å; D568-G586 WeakPolarHBondContact OD2-CA 3.24Å; D568-G586 PolarHBondContact OD2-N 2.8Å; D568-G586 VanDerWaalsContact OD2-N 3.16Å
569S89.2Confident82.3Confident3 Ų355.8 Ų55.82%0.02131%0.314CS..EExtended strand (participates in β ladder)trans-119.2147.8-170.975.10000114.4G561 M566 P567 F583G561-S569 PolarHBondContact N-O 2.95Å; M566-S569 WeakPolarHBondContact O-CB 3.48Å; M566-S569 PolarHBondContact O-N 3.28Å; M566-S569 PolarHBondContact O-OG 2.94Å; P567-S569 PolarHBondContact O-N 3.22Å; S569-F583 VanDerWaalsContact CA-O 3.22Å; S569-F583 WeakPolarHBondContact CA-O 3.39Å; S569-F583 WeakPolarHBondContact CB-O 3.37Å
570F89.7Confident82.1Confident2 Ų254.4 Ų54.41%0.00931%0.306CS..EExtended strand (participates in β ladder)trans-143.3168.1172.465.9-90.8000110.3V469 V559 M560 L572 R582 F583 V585 A591 W594 L598V469-F570 HydrophobicContact CG1-CE1 4.44Å; V469-F570 HydrophobicContact CG1-CZ 4.29Å; V559-F570 CarbonylContact O-C 3.6Å; V559-F570 WeakPolarHBondContact O-CA 3.2Å; M560-F570 HydrophobicContact SD-CB 3.91Å; F570-L572 HydrophobicContact CE2-CD1 4.5Å; F570-R582 CarbonylContact O-C 3.58Å; F570-R582 WeakPolarHBondContact O-CA 3.46Å; F570-F583 HydrophobicContact CD1-CB 4.08Å; F570-F583 HydrophobicContact CD2-CB 3.94Å; F570-F583 HydrophobicContact CD2-CD2 4.23Å; F570-F583 HydrophobicContact CD2-CG 4.45Å; F570-F583 HydrophobicContact CE1-CB 3.65Å; F570-F583 HydrophobicContact CE2-CB 3.48Å; F570-F583 VanDerWaalsContact CE2-CB 3.48Å; F570-F583 AromaticContact CE2-CD2 3.7Å; F570-F583 HydrophobicContact CE2-CD2 3.7Å; F570-F583 AromaticContact CE2-CG 3.74Å; F570-F583 HydrophobicContact CE2-CG 3.74Å; F570-F583 HydrophobicContact CG-CB 4.22Å; F570-F583 HydrophobicContact CZ-CB 3.33Å; F570-F583 HydrophobicContact CZ-CD2 4.29Å; F570-F583 AromaticContact CZ-CG 3.85Å; F570-F583 HydrophobicContact CZ-CG 3.85Å; F570-F583 PolarHBondContact N-O 3.48Å; F570-F583 PolarHBondContact O-N 2.92Å; F570-V585 HydrophobicContact CE1-CG1 3.96Å; F570-A591 HydrophobicContact CD1-CB 4.26Å; F570-W594 HydrophobicContact CD1-CB 4.25Å; F570-W594 HydrophobicContact CE1-CB 3.52Å; F570-W594 HydrophobicContact CE1-CG 4.03Å; F570-W594 HydrophobicContact CZ-CB 3.73Å; F570-W594 HydrophobicContact CZ-CD2 4.39Å; F570-W594 HydrophobicContact CZ-CE3 4.37Å; F570-W594 HydrophobicContact CZ-CG 4.16Å; F570-L598 HydrophobicContact CD2-CD1 4.23Å; F570-L598 HydrophobicContact CE2-CD1 3.38Å; F570-L598 HydrophobicContact CZ-CD1 3.87Å
571M90.2Very high82Confident33 Ų3353.9 Ų53.916%0.16330%0.301CS..EExtended strand (participates in β ladder)trans-130.5142.8-178.6-65.9-174.3-67.900111.2V558 V559 Y581 R582V558-M571 CarbonylContact C-O 3.6Å; V558-M571 WeakPolarHBondContact CA-O 3.43Å; V559-M571 PolarHBondContact N-O 2.7Å; V559-M571 PolarHBondContact O-N 3.28Å; M571-Y581 CarbonylContact C-O 3.54Å; M571-Y581 WeakPolarHBondContact CA-O 3.37Å; M571-R582 HydrophobicContact CG-CB 4.04Å; M571-R582 HydrophobicContact CG-CG 4.08Å
572L89.2Confident82.5Confident4 Ų456.9 Ų56.92%0.02131%0.307CS..EExtended strand (participates in β ladder)trans-113129.1169.5-96153.2000108.3L553 W556 M557 V558 F570 V580 Y581 F583 L598L553-L572 HydrophobicContact CD1-CD1 4.27Å; L553-L572 HydrophobicContact CD1-CD2 3.98Å; L553-L572 HydrophobicContact CD2-CD2 4.48Å; W556-L572 HydrophobicContact CB-CD2 4.11Å; W556-L572 HydrophobicContact CE3-CB 4.21Å; W556-L572 HydrophobicContact CE3-CD2 4.04Å; M557-L572 CarbonylContact O-C 3.56Å; M557-L572 WeakPolarHBondContact O-CA 3.32Å; V558-L572 HydrophobicContact CG2-CD2 3.76Å; V558-L572 HydrophobicContact CG2-CG 4.27Å; F570-L572 HydrophobicContact CE2-CD1 4.5Å; L572-V580 WeakPolarHBondContact O-CA 3.34Å; L572-Y581 PolarHBondContact N-O 3.06Å; L572-Y581 PolarHBondContact O-N 2.85Å; L572-F583 HydrophobicContact CB-CD2 4.49Å; L572-F583 HydrophobicContact CB-CE2 3.96Å; L572-F583 HydrophobicContact CD1-CD2 4.14Å; L572-F583 HydrophobicContact CD1-CE2 3.57Å; L572-F583 HydrophobicContact CD1-CZ 4.17Å; L572-F583 HydrophobicContact CG-CE2 4.33Å; L572-L598 HydrophobicContact CD1-CD1 3.84Å; L572-L598 HydrophobicContact CD1-CD2 4.35Å; L572-L598 HydrophobicContact CG-CD1 4.49Å
573Q88.5Confident83.1Confident50 Ų5048.8 Ų48.823%0.23427%0.269CS..EExtended strand (participates in β ladder)trans-125.7130-176.9-49.3-174.31300109.3W556 M557 P575 H579 V580W556-Q573 CarbonylContact C-O 3.45Å; W556-Q573 WeakPolarHBondContact CA-O 3.16Å; W556-Q573 WeakPolarHBondContact CB-O 3.32Å; M557-Q573 HydrophobicContact CB-CB 4.38Å; M557-Q573 HydrophobicContact CE-CB 4.18Å; M557-Q573 PolarHBondContact N-O 3.43Å; M557-Q573 PolarHBondContact O-N 3.09Å; Q573-P575 WeakPolarHBondContact O-CD 3.03Å; Q573-H579 CarbonylContact C-O 3.3Å; Q573-H579 WeakPolarHBondContact CA-O 3.3Å; Q573-V580 HydrophobicContact CB-CG2 4.27Å; Q573-V580 HydrophobicContact CG-CG1 4.11Å; Q573-V580 HydrophobicContact CG-CG2 4.13Å
574E85.3Confident83.7Confident27 Ų2750.1 Ų50.113%0.12627%0.269CS..EExtended strand (participates in β ladder)trans-101.3104.5170.9-171-175.4-178.100108.4W556 A576 Q577 G578 H579W556-E574 HydrophobicContact CD2-CB 3.71Å; W556-E574 HydrophobicContact CD2-CG 4.12Å; W556-E574 HydrophobicContact CE3-CB 3.77Å; W556-E574 HydrophobicContact CG-CB 4.45Å; W556-E574 HydrophobicContact CH2-CB 3.72Å; W556-E574 HydrophobicContact CH2-CG 4.31Å; W556-E574 HydrophobicContact CZ2-CB 3.64Å; W556-E574 VanDerWaalsContact CZ2-CD 3.49Å; W556-E574 HydrophobicContact CZ2-CG 3.73Å; W556-E574 WeakPolarHBondContact CZ2-OE2 3.12Å; W556-E574 HydrophobicContact CZ3-CB 3.78Å; E574-A576 VanDerWaalsContact C-N 3.29Å; E574-A576 PolarHBondContact O-N 3.01Å; E574-Q577 HydrophobicContact CG-CB 4.39Å; E574-Q577 VanDerWaalsContact OE1-CD 3.25Å; E574-Q577 VanDerWaalsContact OE1-CG 3.26Å; E574-Q577 WeakPolarHBondContact OE1-CG 3.17Å; E574-Q577 PolarHBondContact OE2-OE1 3.32Å; E574-G578 VanDerWaalsContact O-CA 3.31Å; E574-G578 WeakPolarHBondContact O-CA 3.46Å; E574-G578 PolarHBondContact O-N 3.12Å; E574-H579 HydrophobicContact CB-CB 3.89Å; E574-H579 PolarHBondContact N-O 2.78Å; E574-H579 PolarHBondContact O-N 2.71Å; E574-H579 IonicContact OE2-CE1 3.31Å; E574-H579 IonicContact OE2-CG 3.12Å; E574-H579 IonicContact OE2-ND1 2.69Å; E574-H579 PolarHBondContact OE2-ND1 3.12Å
575P78.7Confident84.2Confident81 Ų8145.5 Ų45.553%0.52624%0.239SC..THydrogen-bonded Turntrans-62.1-36-177.3-23.233.8000113G555 M557 Q573G555-P575 WeakPolarHBondContact O-CD 3.4Å; M557-P575 HydrophobicContact CE-CG 4.09Å; M557-P575 HydrophobicContact CG-CG 4.1Å; M557-P575 HydrophobicContact SD-CG 4.22Å; Q573-P575 WeakPolarHBondContact O-CD 3.03Å
576A77.1Confident84.5Confident94 Ų9439.6 Ų39.678%0.77723%0.229SC*.THydrogen-bonded Turntrans-67.5-43.3-173.200000113.4E574E574-A576 VanDerWaalsContact C-N 3.29Å; E574-A576 PolarHBondContact O-N 3.01Å
577Q78.5Confident84.8Confident77 Ų7740.4 Ų40.436%0.3624%0.237SC..THydrogen-bonded Turntrans-101.7-8.9-179-59.4-171.9-5.300112.4W477 G478 E574 H579W477-Q577 CarbonylContact C-O 3.54Å; W477-Q577 WeakPolarHBondContact CA-O 3.49Å; W477-Q577 HydrophobicContact CE3-CB 3.77Å; W477-Q577 HydrophobicContact CE3-CG 4.21Å; W477-Q577 HydrophobicContact CH2-CB 4.34Å; W477-Q577 HydrophobicContact CH2-CG 4.05Å; W477-Q577 HydrophobicContact CZ3-CB 3.56Å; W477-Q577 HydrophobicContact CZ3-CG 3.47Å; W477-Q577 VanDerWaalsContact CZ3-CG 3.47Å; G478-Q577 PolarHBondContact N-O 2.77Å; E574-Q577 HydrophobicContact CG-CB 4.39Å; E574-Q577 VanDerWaalsContact OE1-CD 3.25Å; E574-Q577 VanDerWaalsContact OE1-CG 3.26Å; E574-Q577 WeakPolarHBondContact OE1-CG 3.17Å; E574-Q577 PolarHBondContact OE2-OE1 3.32Å; Q577-H579 VanDerWaalsContact C-N 3.31Å; Q577-H579 PolarHBondContact OE1-CE1 3.3Å; Q577-H579 PolarHBondContact OE1-ND1 3.31Å
578G80Confident85Confident22 Ų2243.1 Ų43.123%0.22725%0.245CC..THydrogen-bonded Turntrans67.832.4-174.800000112.5L475 G478 E574L475-G578 WeakPolarHBondContact CB-O 3.3Å; G478-G578 WeakPolarHBondContact CA-O 3.37Å; G478-G578 PolarHBondContact N-O 2.92Å; E574-G578 VanDerWaalsContact O-CA 3.31Å; E574-G578 WeakPolarHBondContact O-CA 3.46Å; E574-G578 PolarHBondContact O-N 3.12Å
579H83.7Confident85Confident11 Ų1145.7 Ų45.75%0.05127%0.269CS..EExtended strand (participates in β ladder)trans-82.2131.5172-66.1149.5000110.3L475 W477 W556 Q573 E574 Q577 Y581L475-H579 WeakPolarHBondContact O-CA 3.34Å; W477-H579 AromaticContact CD1-NE2 3.95Å; W477-H579 AromaticContact CD2-NE2 3.5Å; W477-H579 AromaticContact CE2-CE1 3.86Å; W477-H579 AromaticContact CE2-NE2 3.54Å; W477-H579 AromaticContact CE3-NE2 4Å; W477-H579 AromaticContact CG-NE2 3.78Å; W477-H579 AromaticContact CZ2-CE1 3.91Å; W477-H579 PolarHBondContact N-CD2 2.99Å; W477-H579 PolarHBondContact N-NE2 2.93Å; W477-H579 AromaticContact NE1-NE2 3.8Å; W556-H579 HydrophobicContact CH2-CB 4.3Å; Q573-H579 CarbonylContact C-O 3.3Å; Q573-H579 WeakPolarHBondContact CA-O 3.3Å; E574-H579 HydrophobicContact CB-CB 3.89Å; E574-H579 PolarHBondContact N-O 2.78Å; E574-H579 PolarHBondContact O-N 2.71Å; E574-H579 IonicContact OE2-CE1 3.31Å; E574-H579 IonicContact OE2-CG 3.12Å; E574-H579 IonicContact OE2-ND1 2.69Å; E574-H579 PolarHBondContact OE2-ND1 3.12Å; Q577-H579 VanDerWaalsContact C-N 3.31Å; Q577-H579 PolarHBondContact OE1-CE1 3.3Å; Q577-H579 PolarHBondContact OE1-ND1 3.31Å; H579-Y581 HydrophobicContact CB-CE2 3.67Å
580V85.7Confident84.8Confident18 Ų1851.9 Ų51.911%0.10929%0.292CS..EExtended strand (participates in β ladder)trans-133.1127.3175.6179.30000108.7I474 L475 L572 Q573I474-V580 WeakPolarHBondContact CA-O 3.16Å; I474-V580 HydrophobicContact CB-CB 4.06Å; I474-V580 HydrophobicContact CB-CG1 3.82Å; I474-V580 WeakPolarHBondContact CB-O 3.43Å; I474-V580 HydrophobicContact CG1-CG1 4.14Å; I474-V580 HydrophobicContact CG2-CG1 4.26Å; I474-V580 PolarHBondContact N-O 2.95Å; L475-V580 HydrophobicContact CB-CB 3.99Å; L475-V580 HydrophobicContact CB-CG2 4.14Å; L475-V580 HydrophobicContact CD1-CB 4.32Å; L475-V580 HydrophobicContact CD1-CG2 3.85Å; L475-V580 HydrophobicContact CG-CB 4.25Å; L475-V580 HydrophobicContact CG-CG2 4.3Å; L475-V580 PolarHBondContact N-O 2.77Å; L475-V580 VanDerWaalsContact N-O 3.08Å; L475-V580 PolarHBondContact O-N 2.85Å; L572-V580 WeakPolarHBondContact O-CA 3.34Å; Q573-V580 HydrophobicContact CB-CG2 4.27Å; Q573-V580 HydrophobicContact CG-CG1 4.11Å; Q573-V580 HydrophobicContact CG-CG2 4.13Å
581Y86.2Confident84.6Confident37 Ų3751.8 Ų51.815%0.14529%0.291CS..EExtended strand (participates in β ladder)trans-125.3136.3176.8-54.4-87.9000109.5R471 K472 T473 W556 M571 L572 H579R471-Y581 HydrophobicContact CG-CD1 4.15Å; K472-Y581 CarbonylContact O-C 3.52Å; K472-Y581 WeakPolarHBondContact O-CA 3.4Å; T473-Y581 HydrophobicContact CG2-CD1 4.02Å; T473-Y581 HydrophobicContact CG2-CE1 3.71Å; T473-Y581 WeakPolarHBondContact OG1-CD1 3.34Å; T473-Y581 VanDerWaalsContact OG1-CE1 3.29Å; T473-Y581 WeakPolarHBondContact OG1-CE1 3.37Å; W556-Y581 HydrophobicContact CH2-CD2 4.32Å; W556-Y581 AromaticContact CH2-CE2 3.75Å; W556-Y581 HydrophobicContact CH2-CE2 3.75Å; W556-Y581 AromaticContact CZ3-CD2 3.83Å; W556-Y581 HydrophobicContact CZ3-CD2 3.83Å; W556-Y581 AromaticContact CZ3-CE2 3.73Å; W556-Y581 HydrophobicContact CZ3-CE2 3.73Å; M571-Y581 CarbonylContact C-O 3.54Å; M571-Y581 WeakPolarHBondContact CA-O 3.37Å; L572-Y581 PolarHBondContact N-O 3.06Å; L572-Y581 PolarHBondContact O-N 2.85Å; H579-Y581 HydrophobicContact CB-CE2 3.67Å
582R87Confident84.6Confident82 Ų8254.5 Ų54.531%0.30931%0.306SS..EExtended strand (participates in β ladder)trans-103.1136.2170.3-177.1177.2-65.2179-1.6109.3R471 K472 I474 F570 M571R471-R582 CarbonylContact C-O 3.52Å; R471-R582 WeakPolarHBondContact CA-O 3.41Å; K472-R582 PolarHBondContact N-O 3.39Å; K472-R582 PolarHBondContact O-N 3.47Å; I474-R582 HydrophobicContact CD1-CB 3.87Å; I474-R582 HydrophobicContact CG1-CB 3.91Å; F570-R582 CarbonylContact O-C 3.58Å; F570-R582 WeakPolarHBondContact O-CA 3.46Å; M571-R582 HydrophobicContact CG-CB 4.04Å; M571-R582 HydrophobicContact CG-CG 4.08Å
583F87.8Confident84.5Confident7 Ų758.5 Ų58.53%0.03133%0.325CS..EExtended strand (participates in β ladder)trans-119.8147.4179.9-69.2-86.4000110.4V469 R470 R471 I496 S569 F570 L572V469-F583 HydrophobicContact CB-CD1 4.29Å; V469-F583 HydrophobicContact CG1-CB 3.59Å; V469-F583 HydrophobicContact CG1-CD1 3.47Å; V469-F583 VanDerWaalsContact CG1-CD1 3.47Å; V469-F583 HydrophobicContact CG1-CG 3.96Å; R470-F583 CarbonylContact O-C 3.55Å; R470-F583 WeakPolarHBondContact O-CA 3.35Å; R471-F583 HydrophobicContact CB-CD1 3.75Å; R471-F583 HydrophobicContact CB-CE1 3.48Å; R471-F583 VanDerWaalsContact CB-CE1 3.48Å; R471-F583 HydrophobicContact CB-CZ 4.21Å; R471-F583 HydrophobicContact CG-CD1 3.96Å; R471-F583 HydrophobicContact CG-CE1 3.39Å; R471-F583 HydrophobicContact CG-CE2 4.29Å; R471-F583 HydrophobicContact CG-CZ 3.59Å; I496-F583 HydrophobicContact CD1-CD1 4.48Å; I496-F583 HydrophobicContact CD1-CE1 3.45Å; I496-F583 VanDerWaalsContact CD1-CE1 3.45Å; I496-F583 HydrophobicContact CD1-CZ 3.59Å; S569-F583 VanDerWaalsContact CA-O 3.22Å; S569-F583 WeakPolarHBondContact CA-O 3.39Å; S569-F583 WeakPolarHBondContact CB-O 3.37Å; F570-F583 HydrophobicContact CD1-CB 4.08Å; F570-F583 HydrophobicContact CD2-CB 3.94Å; F570-F583 HydrophobicContact CD2-CD2 4.23Å; F570-F583 HydrophobicContact CD2-CG 4.45Å; F570-F583 HydrophobicContact CE1-CB 3.65Å; F570-F583 HydrophobicContact CE2-CB 3.48Å; F570-F583 VanDerWaalsContact CE2-CB 3.48Å; F570-F583 AromaticContact CE2-CD2 3.7Å; F570-F583 HydrophobicContact CE2-CD2 3.7Å; F570-F583 AromaticContact CE2-CG 3.74Å; F570-F583 HydrophobicContact CE2-CG 3.74Å; F570-F583 HydrophobicContact CG-CB 4.22Å; F570-F583 HydrophobicContact CZ-CB 3.33Å; F570-F583 HydrophobicContact CZ-CD2 4.29Å; F570-F583 AromaticContact CZ-CG 3.85Å; F570-F583 HydrophobicContact CZ-CG 3.85Å; F570-F583 PolarHBondContact N-O 3.48Å; F570-F583 PolarHBondContact O-N 2.92Å; L572-F583 HydrophobicContact CB-CD2 4.49Å; L572-F583 HydrophobicContact CB-CE2 3.96Å; L572-F583 HydrophobicContact CD1-CD2 4.14Å; L572-F583 HydrophobicContact CD1-CE2 3.57Å; L572-F583 HydrophobicContact CD1-CZ 4.17Å; L572-F583 HydrophobicContact CG-CE2 4.33Å
584R85.4Confident84.4Confident90 Ų9056.6 Ų56.634%0.3432%0.315SS..EExtended strand (participates in β ladder)trans-133.3141.7169.1-58.7-156.6-36.117215.5111.7R470 D568R470-R584 HydrophobicContact CB-CB 4.47Å; R470-R584 PolarHBondContact N-O 3.35Å; R470-R584 PolarHBondContact O-N 3.34Å; D568-R584 WeakPolarHBondContact O-CA 3.36Å; D568-R584 IonicContact OD2-CZ 2.61Å; D568-R584 IonicContact OD2-NE 3.83Å
585V83.8Confident84.5Confident13 Ų1355.5 Ų55.58%0.07931%0.311CS..  trans-127.28.9-174.8-66.20000114.2V469 D568 F570 T587 R590 A591 W594V469-V585 HydrophobicContact CB-CG1 4.11Å; V469-V585 HydrophobicContact CG1-CG1 3.59Å; V469-V585 HydrophobicContact CG2-CG1 3.78Å; D568-V585 PolarHBondContact O-N 3.09Å; D568-V585 VanDerWaalsContact O-N 3.12Å; F570-V585 HydrophobicContact CE1-CG1 3.96Å; V585-T587 VanDerWaalsContact C-N 3.3Å; V585-T587 PolarHBondContact O-N 3.23Å; V585-R590 HydrophobicContact CB-CB 4.08Å; V585-R590 HydrophobicContact CG2-CB 3.6Å; V585-A591 HydrophobicContact CG2-CB 3.66Å; V585-W594 HydrophobicContact CG1-CG 4.15Å
586G79.7Confident84.8Confident56 Ų5656.7 Ų56.758%0.57731%0.309SS*.SBendtrans87.9-26.1171.200000115.1D568D568-G586 WeakPolarHBondContact OD2-CA 3.24Å; D568-G586 PolarHBondContact OD2-N 2.8Å; D568-G586 VanDerWaalsContact OD2-N 3.16Å
587T84.4Confident85.2Confident72 Ų7252.8 Ų52.844%0.44228%0.276SS..SBendtrans-136.6149.8172.868.30000111.9V585 A589 R590 A591V585-T587 VanDerWaalsContact C-N 3.3Å; V585-T587 PolarHBondContact O-N 3.23Å; T587-A589 VanDerWaalsContact C-N 3.35Å; T587-A589 PolarHBondContact O-N 3.11Å; T587-R590 PolarHBondContact O-N 3.35Å; T587-R590 WeakPolarHBondContact OG1-CB 3.44Å; T587-R590 WeakPolarHBondContact OG1-CG 3.25Å; T587-R590 PolarHBondContact OG1-N 3.41Å; T587-A591 PolarHBondContact O-N 2.92Å
588Q88Confident85.5Confident110 Ų11049.2 Ų49.251%0.51426%0.259SS..Hα-helixtrans-61-41.7177.5-176177.29.800112.4P567 R590 A591 L592P567-Q588 HydrophobicContact CB-CB 4.05Å; P567-Q588 HydrophobicContact CB-CG 4.08Å; P567-Q588 WeakPolarHBondContact O-CA 3.48Å; P567-Q588 WeakPolarHBondContact O-CB 3.44Å; P567-Q588 WeakPolarHBondContact O-CG 3.47Å; Q588-R590 VanDerWaalsContact C-N 3.34Å; Q588-R590 PolarHBondContact O-N 3.06Å; Q588-A591 WeakPolarHBondContact O-CB 3.33Å; Q588-A591 PolarHBondContact O-N 3.02Å; Q588-A591 VanDerWaalsContact O-N 3.08Å; Q588-L592 HydrophobicContact CG-CD1 4.31Å; Q588-L592 WeakPolarHBondContact O-CG 3.33Å; Q588-L592 PolarHBondContact O-N 2.88Å
589A87.2Confident85.7Confident71 Ų7153 Ų5359%0.58727%0.27SS*.Hα-helixtrans-58.9-43.4178.300000112.1T587 L592 Q593T587-A589 VanDerWaalsContact C-N 3.35Å; T587-A589 PolarHBondContact O-N 3.11Å; A589-L592 PolarHBondContact O-N 3.36Å; A589-Q593 PolarHBondContact O-N 3.17Å; A589-Q593 VanDerWaalsContact O-N 3.11Å
590R84.9Confident85.5Confident133 Ų13356.1 Ų56.150%0.50228%0.283SS..Hα-helixtrans-65.9-38.6173.9-77.6-175.6172.2175.8-1.1111.8V585 T587 Q588 L592 Q593 W594V585-R590 HydrophobicContact CB-CB 4.08Å; V585-R590 HydrophobicContact CG2-CB 3.6Å; T587-R590 PolarHBondContact O-N 3.35Å; T587-R590 WeakPolarHBondContact OG1-CB 3.44Å; T587-R590 WeakPolarHBondContact OG1-CG 3.25Å; T587-R590 PolarHBondContact OG1-N 3.41Å; Q588-R590 VanDerWaalsContact C-N 3.34Å; Q588-R590 PolarHBondContact O-N 3.06Å; R590-L592 VanDerWaalsContact C-N 3.3Å; R590-L592 PolarHBondContact O-N 3.47Å; R590-Q593 PolarHBondContact O-N 2.82Å; R590-W594 VanDerWaalsContact O-CD1 3.28Å; R590-W594 PolarHBondContact O-N 3.16Å
591A86.3Confident85.1Confident0 Ų055.4 Ų55.40%028%0.279CS..Hα-helixtrans-62.9-40.9-179.600000111.1M560 F570 V585 T587 Q588 A595M560-A591 HydrophobicContact CE-CB 3.92Å; F570-A591 HydrophobicContact CD1-CB 4.26Å; V585-A591 HydrophobicContact CG2-CB 3.66Å; T587-A591 PolarHBondContact O-N 2.92Å; Q588-A591 WeakPolarHBondContact O-CB 3.33Å; Q588-A591 PolarHBondContact O-N 3.02Å; Q588-A591 VanDerWaalsContact O-N 3.08Å; A591-A595 VanDerWaalsContact O-CB 3.32Å; A591-A595 WeakPolarHBondContact O-CB 3.23Å; A591-A595 PolarHBondContact O-N 3.49Å
592L88.8Confident84.9Confident90 Ų9054.2 Ų54.247%0.47128%0.276SS..Hα-helixtrans-62.9-44.9173.5-69169.9000112M560 Q588 A589 R590 A595 E596M560-L592 HydrophobicContact CE-CD2 3.82Å; M560-L592 HydrophobicContact CE-CG 4.19Å; M560-L592 HydrophobicContact CG-CD2 4.18Å; M560-L592 HydrophobicContact SD-CD2 4.02Å; Q588-L592 HydrophobicContact CG-CD1 4.31Å; Q588-L592 WeakPolarHBondContact O-CG 3.33Å; Q588-L592 PolarHBondContact O-N 2.88Å; A589-L592 PolarHBondContact O-N 3.36Å; R590-L592 VanDerWaalsContact C-N 3.3Å; R590-L592 PolarHBondContact O-N 3.47Å; L592-A595 PolarHBondContact O-N 3.22Å; L592-E596 PolarHBondContact O-N 3.23Å
593Q86.5Confident84.3Confident88 Ų8857.6 Ų57.641%0.41130%0.295SS..Hα-helixtrans-62.1-45178.1-166.7-172.5-2.600112.1I465 A589 R590 E596 C597I465-Q593 HydrophobicContact CD1-CB 4.29Å; I465-Q593 HydrophobicContact CD1-CG 3.86Å; A589-Q593 PolarHBondContact O-N 3.17Å; A589-Q593 VanDerWaalsContact O-N 3.11Å; R590-Q593 PolarHBondContact O-N 2.82Å; Q593-E596 PolarHBondContact O-N 2.75Å; Q593-C597 PolarHBondContact O-N 3.45Å; Q593-C597 VanDerWaalsContact O-N 3.09Å
594W88.3Confident83.5Confident10 Ų1058.9 Ų58.94%0.03830%0.302CS..Hα-helixtrans-60-46.7173.6-88.791.8000111.6I465 V469 I496 F570 V585 R590 E596 C597 L598I465-W594 HydrophobicContact CD1-CB 4.26Å; I465-W594 HydrophobicContact CD1-CD2 3.78Å; I465-W594 HydrophobicContact CD1-CE3 4.45Å; I465-W594 HydrophobicContact CD1-CG 3.66Å; I465-W594 HydrophobicContact CG1-CD2 4.25Å; I465-W594 HydrophobicContact CG1-CZ2 4.23Å; I465-W594 HydrophobicContact CG2-CD2 4.17Å; I465-W594 HydrophobicContact CG2-CE3 3.8Å; I465-W594 HydrophobicContact CG2-CH2 4.16Å; I465-W594 HydrophobicContact CG2-CZ2 4.5Å; I465-W594 HydrophobicContact CG2-CZ3 3.8Å; V469-W594 HydrophobicContact CG2-CD2 4.06Å; V469-W594 HydrophobicContact CG2-CE3 4.37Å; V469-W594 HydrophobicContact CG2-CH2 3.75Å; V469-W594 HydrophobicContact CG2-CZ2 3.37Å; V469-W594 HydrophobicContact CG2-CZ3 4.23Å; I496-W594 HydrophobicContact CG2-CZ3 4.44Å; F570-W594 HydrophobicContact CD1-CB 4.25Å; F570-W594 HydrophobicContact CE1-CB 3.52Å; F570-W594 HydrophobicContact CE1-CG 4.03Å; F570-W594 HydrophobicContact CZ-CB 3.73Å; F570-W594 HydrophobicContact CZ-CD2 4.39Å; F570-W594 HydrophobicContact CZ-CE3 4.37Å; F570-W594 HydrophobicContact CZ-CG 4.16Å; V585-W594 HydrophobicContact CG1-CG 4.15Å; R590-W594 VanDerWaalsContact O-CD1 3.28Å; R590-W594 PolarHBondContact O-N 3.16Å; W594-E596 VanDerWaalsContact C-N 3.31Å; W594-E596 PolarHBondContact O-N 2.8Å; W594-C597 PolarHBondContact O-N 3.28Å; W594-L598 HydrophobicContact CE3-CD1 4.08Å; W594-L598 HydrophobicContact CE3-CG 4.35Å; W594-L598 VanDerWaalsContact O-CB 3.28Å; W594-L598 WeakPolarHBondContact O-CB 3.41Å; W594-L598 WeakPolarHBondContact O-CD1 3.23Å; W594-L598 WeakPolarHBondContact O-CG 3.34Å; W594-L598 PolarHBondContact O-N 3.17Å
595A86.7Confident82.2Confident4 Ų458.8 Ų58.83%0.03331%0.314CS..Hα-helixtrans-61.6-39.9179.100000112.1V558 M560 A591 L592 K599V558-A595 HydrophobicContact CG1-CB 3.92Å; M560-A595 HydrophobicContact CG-CB 4.38Å; M560-A595 HydrophobicContact SD-CB 3.61Å; A591-A595 VanDerWaalsContact O-CB 3.32Å; A591-A595 WeakPolarHBondContact O-CB 3.23Å; A591-A595 PolarHBondContact O-N 3.49Å; L592-A595 PolarHBondContact O-N 3.22Å; A595-K599 WeakPolarHBondContact O-CB 3.31Å; A595-K599 VanDerWaalsContact O-CG 3.24Å; A595-K599 WeakPolarHBondContact O-CG 3.3Å; A595-K599 PolarHBondContact O-N 3.47Å
596E85Confident81.1Confident106 Ų10668 Ų6850%0.49535%0.347SS..Hα-helixtrans-66.4-48.2178.7-163.7-168151.800112.4L592 Q593 W594 L598 K599 K600L592-E596 PolarHBondContact O-N 3.23Å; Q593-E596 PolarHBondContact O-N 2.75Å; W594-E596 VanDerWaalsContact C-N 3.31Å; W594-E596 PolarHBondContact O-N 2.8Å; E596-L598 VanDerWaalsContact C-N 3.35Å; E596-L598 PolarHBondContact O-N 2.97Å; E596-K599 PolarHBondContact O-N 2.94Å; E596-K600 PolarHBondContact O-N 3.48Å; E596-K600 IonicContact OE1-NZ 3.09Å; E596-K600 PolarHBondContact OE1-NZ 2.99Å
597C84.3Confident80Confident11 Ų1167.3 Ų67.37%0.07433%0.328CS..Hα-helixtrans-64.9-39.7176.8-86.50000112C463 I465 Q593 W594 K600 A601C463-C597 HydrophobicContact CB-CB 4.06Å; C463-C597 WeakPolarHBondContact CB-SG 3.46Å; C463-C597 WeakPolarHBondContact SG-CA 3.26Å; C463-C597 WeakPolarHBondContact SG-CB 3.38Å; C463-C597 CovalentContact SG-SG 2.07Å; C463-C597 PolarHBondContact SG-SG 2.99Å; I465-C597 HydrophobicContact CB-CB 4.27Å; I465-C597 HydrophobicContact CG2-CB 3.77Å; Q593-C597 PolarHBondContact O-N 3.45Å; Q593-C597 VanDerWaalsContact O-N 3.09Å; W594-C597 PolarHBondContact O-N 3.28Å; C597-K600 PolarHBondContact O-N 3.29Å; C597-A601 PolarHBondContact O-N 2.89Å
598L86Confident78.6Confident2 Ų268.8 Ų68.81%0.0133%0.328CS..Hα-helixtrans-66.7-37.8178-72168.9000112L553 V558 F570 L572 W594 E596 K600 A601 C602 V609L553-L598 HydrophobicContact CD1-CD2 3.71Å; V558-L598 HydrophobicContact CG1-CB 4.31Å; V558-L598 HydrophobicContact CG2-CB 3.73Å; F570-L598 HydrophobicContact CD2-CD1 4.23Å; F570-L598 HydrophobicContact CE2-CD1 3.38Å; F570-L598 HydrophobicContact CZ-CD1 3.87Å; L572-L598 HydrophobicContact CD1-CD1 3.84Å; L572-L598 HydrophobicContact CD1-CD2 4.35Å; L572-L598 HydrophobicContact CG-CD1 4.49Å; W594-L598 HydrophobicContact CE3-CD1 4.08Å; W594-L598 HydrophobicContact CE3-CG 4.35Å; W594-L598 VanDerWaalsContact O-CB 3.28Å; W594-L598 WeakPolarHBondContact O-CB 3.41Å; W594-L598 WeakPolarHBondContact O-CD1 3.23Å; W594-L598 WeakPolarHBondContact O-CG 3.34Å; W594-L598 PolarHBondContact O-N 3.17Å; E596-L598 VanDerWaalsContact C-N 3.35Å; E596-L598 PolarHBondContact O-N 2.97Å; L598-K600 VanDerWaalsContact C-N 3.35Å; L598-K600 PolarHBondContact O-N 3.04Å; L598-A601 CarbonylContact O-C 3.43Å; L598-A601 PolarHBondContact O-N 3.05Å; L598-A601 VanDerWaalsContact O-N 3.12Å; L598-C602 PolarHBondContact O-N 3.47Å; L598-C602 PolarHBondContact O-SG 3.17Å; L598-V609 HydrophobicContact CD2-CG1 4.04Å
599K84.1Confident76.9Confident103 Ų10363.7 Ų63.745%0.44831%0.305SS..Hα-helixtrans-57.3-48.1173.3-79.8177.9-179-174.50111.2V558 A595 E596 A601 C602 E603V558-K599 HydrophobicContact CB-CG 3.8Å; V558-K599 HydrophobicContact CG1-CG 4.35Å; V558-K599 HydrophobicContact CG2-CG 4.27Å; V558-K599 WeakPolarHBondContact O-CE 3.15Å; A595-K599 WeakPolarHBondContact O-CB 3.31Å; A595-K599 VanDerWaalsContact O-CG 3.24Å; A595-K599 WeakPolarHBondContact O-CG 3.3Å; A595-K599 PolarHBondContact O-N 3.47Å; E596-K599 PolarHBondContact O-N 2.94Å; K599-A601 VanDerWaalsContact C-N 3.26Å; K599-A601 PolarHBondContact O-N 3.21Å; K599-C602 PolarHBondContact O-N 3.44Å; K599-E603 PolarHBondContact O-N 3.4Å
600K79.6Confident76.3Confident76 Ų7663.4 Ų63.433%0.3329%0.291SS..Hα-helixtrans-60.1-36.1175.4-67.4174.5-1731670112.2C463 E596 C597 L598 D604C463-K600 HydrophobicContact CB-CD 4.43Å; E596-K600 PolarHBondContact O-N 3.48Å; E596-K600 IonicContact OE1-NZ 3.09Å; E596-K600 PolarHBondContact OE1-NZ 2.99Å; C597-K600 PolarHBondContact O-N 3.29Å; L598-K600 VanDerWaalsContact C-N 3.35Å; L598-K600 PolarHBondContact O-N 3.04Å; K600-D604 PolarHBondContact O-N 2.9Å
601A77.4Confident75.9Confident3 Ų359.7 Ų59.73%0.02528%0.28CS..Hα-helixtrans-73.7-24.7176.100000113.6C597 L598 K599 K607 V609C597-A601 PolarHBondContact O-N 2.89Å; L598-A601 CarbonylContact O-C 3.43Å; L598-A601 PolarHBondContact O-N 3.05Å; L598-A601 VanDerWaalsContact O-N 3.12Å; K599-A601 VanDerWaalsContact C-N 3.26Å; K599-A601 PolarHBondContact O-N 3.21Å; A601-K607 HydrophobicContact CB-CB 4.19Å; A601-V609 HydrophobicContact CB-CG2 3.84Å
602C81.2Confident75.3Confident11 Ų1163 Ų637%0.07430%0.295CS..Hα-helixtrans-79.6-21.3177.2-64.20000113.2L553 C554 G555 W556 L598 K599L553-C602 WeakPolarHBondContact O-CA 3.39Å; L553-C602 PolarHBondContact O-SG 3.18Å; C554-C602 WeakPolarHBondContact CA-O 3.49Å; G555-C602 PolarHBondContact N-O 3.25Å; W556-C602 VanDerWaalsContact O-CB 3.28Å; W556-C602 WeakPolarHBondContact O-CB 3.45Å; L598-C602 PolarHBondContact O-N 3.47Å; L598-C602 PolarHBondContact O-SG 3.17Å; K599-C602 PolarHBondContact O-N 3.44Å
603E75.1Confident74.5Confident154 Ų15461.4 Ų61.472%0.7229%0.285SS*.Hα-helixtrans-90.2-26.7179.7-69.1170.1-175.600113.2K599K599-E603 PolarHBondContact O-N 3.4Å
604D70.3Confident73.8Confident33 Ų3359.8 Ų59.818%0.17628%0.277CS..  trans-103.8111.1-178.1-167.7-16000111.7K600 R606 K607K600-D604 PolarHBondContact O-N 2.9Å; D604-R606 PolarHBondContact O-N 3.12Å; D604-R606 VanDerWaalsContact OD1-CB 3.3Å; D604-R606 WeakPolarHBondContact OD1-CB 3.33Å; D604-R606 PolarHBondContact OD1-N 3.27Å; D604-R606 IonicContact OD1-NE 3.74Å; D604-R606 PolarHBondContact OD1-NE 2.81Å; D604-R606 IonicContact OD1-NH2 3.17Å; D604-R606 IonicContact OD2-NE 2.68Å; D604-R606 IonicContact OD2-NH2 3.61Å; D604-K607 HydrophobicContact CB-CB 4.35Å; D604-K607 HydrophobicContact CB-CD 3.97Å; D604-K607 HydrophobicContact CB-CG 3.95Å; D604-K607 PolarHBondContact O-N 3.34Å
605P59.7Low72.8Confident89 Ų8963.1 Ų63.158%0.57829%0.293SS*.THydrogen-bonded Turntrans-62.7-15.4179.124.5-32.9000113.7C554C554-P605 HydrophobicContact CB-CB 4.49Å
606R59.8Low71.8Confident205 Ų20567.3 Ų67.377%0.77431%0.311SS*.THydrogen-bonded Turntrans-79.8-19.9175.9-62.8173.6-73.1-176.1-1.4112.6D604D604-R606 PolarHBondContact O-N 3.12Å; D604-R606 VanDerWaalsContact OD1-CB 3.3Å; D604-R606 WeakPolarHBondContact OD1-CB 3.33Å; D604-R606 PolarHBondContact OD1-N 3.27Å; D604-R606 IonicContact OD1-NE 3.74Å; D604-R606 PolarHBondContact OD1-NE 2.81Å; D604-R606 IonicContact OD1-NH2 3.17Å; D604-R606 IonicContact OD2-NE 2.68Å; D604-R606 IonicContact OD2-NH2 3.61Å
607K56.4Low70.8Confident43 Ų4364.3 Ų64.319%0.18730%0.297CS..  trans-85.4131.4-179.9-66.7-177178.5177.70110.3D461 A601 D604D461-K607 PolarHBondContact O-NZ 3.07Å; A601-K607 HydrophobicContact CB-CB 4.19Å; D604-K607 HydrophobicContact CB-CB 4.35Å; D604-K607 HydrophobicContact CB-CD 3.97Å; D604-K607 HydrophobicContact CB-CG 3.95Å; D604-K607 PolarHBondContact O-N 3.34Å
608K54.7Low69.7Low102 Ų10268.8 Ų68.844%0.44332%0.316SS..  trans-122.5152.1175-65-177-178.1175.60109.7V498 D499 V550V498-K608 WeakPolarHBondContact CA-O 3.28Å; V498-K608 WeakPolarHBondContact CG1-O 3.43Å; D499-K608 PolarHBondContact N-O 3.18Å; V550-K608 HydrophobicContact CG1-CB 3.61Å; V550-K608 HydrophobicContact CG1-CD 4.04Å; V550-K608 HydrophobicContact CG1-CG 4.43Å
609V52Low68.2Low4 Ų474.8 Ų74.82%0.02434%0.344CS..  trans-131.90-168.4-1790000111.7I496 F497 V498 V550 I551 L553 L598 A601I496-V609 HydrophobicContact CG2-CB 4.42Å; I496-V609 HydrophobicContact CG2-CG1 3.05Å; I496-V609 WeakPolarHBondContact CG2-OXT 3.43Å; F497-V609 PolarHBondContact N-OXT 3.36Å; F497-V609 VanDerWaalsContact N-OXT 3.1Å; F497-V609 CarbonylContact O-C 3.56Å; F497-V609 VanDerWaalsContact O-C 3.24Å; V498-V609 HydrophobicContact CG1-CG2 4.27Å; V498-V609 HydrophobicContact CG2-CB 4.26Å; V498-V609 HydrophobicContact CG2-CG1 3.89Å; V498-V609 HydrophobicContact CG2-CG2 3.95Å; V550-V609 CarbonylContact C-O 3.5Å; V550-V609 WeakPolarHBondContact CA-O 3.14Å; I551-V609 PolarHBondContact N-O 2.89Å; I551-V609 PolarHBondContact O-N 3.41Å; I551-V609 VanDerWaalsContact O-O 3.05Å; L553-V609 HydrophobicContact CB-CG2 4.41Å; L553-V609 HydrophobicContact CD1-CB 3.61Å; L553-V609 HydrophobicContact CD1-CG1 3.59Å; L553-V609 HydrophobicContact CD1-CG2 3.6Å; L553-V609 HydrophobicContact CG-CB 3.81Å; L553-V609 HydrophobicContact CG-CG1 4.28Å; L553-V609 HydrophobicContact CG-CG2 3.9Å; L598-V609 HydrophobicContact CD2-CG1 4.04Å; A601-V609 HydrophobicContact CB-CG2 3.84Å

Retrieved 609 of 609 residues in 450.2 ms (Link to these results)

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