A0A3Q0KNX0_SCHMA Loading...

Formin-like

AlphaFold DB , UniProt , Accession A0A3Q0KNX0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 1,050 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
1M39.4Very low53.4Low224 Ų224142.5 Ų142.5100%1.10370%0.7SS**  0116.20-78-179.3174.600106.4
2N33.5Very low55.3Low139 Ų139139.7 Ų139.774%0.74368%0.684SS**  trans-87127.4-177.5-600.3000108.2
3Y40.8Very low57.6Low228 Ų228131.1 Ų131.189%0.89464%0.64SS**  trans-123.9100.3161-91.1-81.6000106.8
4E39.1Very low59.2Low159 Ų159125.7 Ų125.774%0.74363%0.627SS**  trans-76.8148-170.7-65.8162.2133.800111.8T6E4-T6 PolarHBondContact O-N 3.07Å
5N40.7Very low60.2Low163 Ų163123.7 Ų123.787%0.87262%0.619SS**  trans1198152.9-59.4-9.7000116.4
6T46.3Very low61.6Low102 Ų102116.8 Ų116.863%0.62658%0.584SS**  trans-102.5124.3166.621.60000109.9E4 K8 Y9E4-T6 PolarHBondContact O-N 3.07Å; T6-K8 PolarHBondContact O-N 2.77Å; T6-Y9 PolarHBondContact O-N 3.45Å
7P53.6Low62.7Low92 Ų92111.4 Ų111.460%0.59756%0.557SS**THydrogen-bonded Turntrans-56.8-23.9-176.514.7-27.2000114.3Y9 E10 D11P7-Y9 PolarHBondContact O-N 2.97Å; P7-Y9 VanDerWaalsContact O-N 3.11Å; P7-E10 PolarHBondContact O-N 3.35Å; P7-D11 PolarHBondContact O-N 2.94Å
8K66.9Low63.3Low153 Ų153114.4 Ų114.467%0.66557%0.569SS**Hα-helixtrans-51.8-31171.9-82.9-173.5171.4-178.20115T6 Q12T6-K8 PolarHBondContact O-N 2.77Å; K8-Q12 VanDerWaalsContact O-CB 3.32Å; K8-Q12 WeakPolarHBondContact O-CB 3.4Å; K8-Q12 WeakPolarHBondContact O-CG 3.2Å; K8-Q12 PolarHBondContact O-N 3.46Å; K8-Q12 VanDerWaalsContact O-N 3.11Å
9Y76.1Confident63.6Low62 Ų62110 Ų11024%0.24355%0.551CS.*Hα-helixtrans-73.7-41.8-178.5179.8-103.9000111.9T6 P7 Q12 W13 K38 R39 L42T6-Y9 PolarHBondContact O-N 3.45Å; P7-Y9 PolarHBondContact O-N 2.97Å; P7-Y9 VanDerWaalsContact O-N 3.11Å; Y9-Q12 PolarHBondContact O-N 3.19Å; Y9-W13 WeakPolarHBondContact O-CB 3.26Å; Y9-W13 PolarHBondContact O-N 2.77Å; Y9-K38 VanDerWaalsContact OH-CB 3.27Å; Y9-K38 WeakPolarHBondContact OH-CB 3.42Å; Y9-R39 HydrophobicContact CE2-CG 3.87Å; Y9-L42 HydrophobicContact CD2-CD1 4.01Å; Y9-L42 HydrophobicContact CE2-CD1 3.52Å
10E75.1Confident64.1Low146 Ų146107.5 Ų107.568%0.68254%0.539SS*.Hα-helixtrans-66.6-43.8177.7-64.2-176.3156.500110.8P7 Q12 W13 A14P7-E10 PolarHBondContact O-N 3.35Å; E10-Q12 VanDerWaalsContact C-N 3.34Å; E10-Q12 PolarHBondContact O-N 3.48Å; E10-W13 PolarHBondContact O-N 3.41Å; E10-A14 WeakPolarHBondContact O-CB 3.39Å; E10-A14 PolarHBondContact O-N 2.76Å
11D76.3Confident64.2Low99 Ų99108.9 Ų108.953%0.52955%0.548SS..Hα-helixtrans-58-44.6173.6-68-30.5000111.9P7 N15P7-D11 PolarHBondContact O-N 2.94Å; D11-N15 WeakPolarHBondContact O-CB 3.46Å; D11-N15 PolarHBondContact O-N 3.36Å; D11-N15 VanDerWaalsContact O-N 3.1Å; D11-N15 PolarHBondContact O-ND2 2.8Å
12Q75.6Confident65.7Low109 Ų109100.8 Ų100.851%0.50951%0.511SS..Hα-helixtrans-66.2-40.9178.5-78.2175-6.200112K8 Y9 E10 F16 L42K8-Q12 VanDerWaalsContact O-CB 3.32Å; K8-Q12 WeakPolarHBondContact O-CB 3.4Å; K8-Q12 WeakPolarHBondContact O-CG 3.2Å; K8-Q12 PolarHBondContact O-N 3.46Å; K8-Q12 VanDerWaalsContact O-N 3.11Å; Y9-Q12 PolarHBondContact O-N 3.19Å; E10-Q12 VanDerWaalsContact C-N 3.34Å; E10-Q12 PolarHBondContact O-N 3.48Å; Q12-F16 WeakPolarHBondContact O-CB 3.47Å; Q12-F16 PolarHBondContact O-N 3.29Å; Q12-L42 HydrophobicContact CB-CD2 3.99Å
13W85Confident67.4Low28 Ų2898.7 Ų98.711%0.10650%0.5CS..Hα-helixtrans-66.8-43.2177.4-174.6-104.1000112.2Y9 E10 N15 F16 I17 I30 K38 L41 L42Y9-W13 WeakPolarHBondContact O-CB 3.26Å; Y9-W13 PolarHBondContact O-N 2.77Å; E10-W13 PolarHBondContact O-N 3.41Å; W13-N15 PolarHBondContact O-N 3.49Å; W13-F16 HydrophobicContact CD2-CD1 4.42Å; W13-F16 AromaticContact CE3-CD1 3.78Å; W13-F16 HydrophobicContact CE3-CD1 3.78Å; W13-F16 HydrophobicContact CE3-CE1 4.41Å; W13-F16 AromaticContact CH2-CD1 3.89Å; W13-F16 HydrophobicContact CH2-CD1 3.89Å; W13-F16 AromaticContact CH2-CE1 3.77Å; W13-F16 HydrophobicContact CH2-CE1 3.77Å; W13-F16 AromaticContact CZ3-CD1 3.48Å; W13-F16 HydrophobicContact CZ3-CD1 3.48Å; W13-F16 VanDerWaalsContact CZ3-CD1 3.48Å; W13-F16 AromaticContact CZ3-CE1 3.65Å; W13-F16 HydrophobicContact CZ3-CE1 3.65Å; W13-F16 WeakPolarHBondContact O-CB 3.37Å; W13-F16 PolarHBondContact O-N 2.73Å; W13-F16 VanDerWaalsContact O-N 3.17Å; W13-I17 HydrophobicContact CD2-CG1 4.49Å; W13-I17 HydrophobicContact CH2-CD1 4.4Å; W13-I17 HydrophobicContact CZ2-CD1 3.74Å; W13-I17 HydrophobicContact CZ2-CG1 4.22Å; W13-I17 WeakPolarHBondContact O-CG1 3.44Å; W13-I17 PolarHBondContact O-N 2.71Å; W13-I30 HydrophobicContact CH2-CG2 3.95Å; W13-I30 HydrophobicContact CZ2-CG2 4.03Å; W13-K38 HydrophobicContact CD2-CD 4.37Å; W13-K38 HydrophobicContact CE3-CB 3.94Å; W13-K38 HydrophobicContact CE3-CG 4.34Å; W13-K38 HydrophobicContact CH2-CB 3.8Å; W13-K38 HydrophobicContact CH2-CD 4.17Å; W13-K38 HydrophobicContact CH2-CG 3.53Å; W13-K38 HydrophobicContact CZ2-CB 4.38Å; W13-K38 HydrophobicContact CZ2-CD 3.92Å; W13-K38 HydrophobicContact CZ2-CG 3.76Å; W13-K38 HydrophobicContact CZ3-CB 3.55Å; W13-K38 HydrophobicContact CZ3-CD 4.48Å; W13-K38 HydrophobicContact CZ3-CG 3.84Å; W13-K38 WeakPolarHBondContact CZ3-O 3.35Å; W13-L41 HydrophobicContact CH2-CD1 4.15Å; W13-L41 HydrophobicContact CZ3-CB 4.3Å; W13-L42 HydrophobicContact CB-CD1 4.4Å; W13-L42 HydrophobicContact CE3-CD1 3.8Å; W13-L42 HydrophobicContact CE3-CG 3.9Å; W13-L42 HydrophobicContact CZ3-CG 4.37Å
14A80.6Confident69.1Low56 Ų5692.3 Ų92.346%0.46349%0.486SS..Hα-helixtrans-60.6-46176.500000111.8E10 F16 I17 Q18E10-A14 WeakPolarHBondContact O-CB 3.39Å; E10-A14 PolarHBondContact O-N 2.76Å; A14-F16 VanDerWaalsContact C-N 3.31Å; A14-F16 PolarHBondContact O-N 3.36Å; A14-I17 PolarHBondContact O-N 3.41Å; A14-Q18 WeakPolarHBondContact O-CB 3.39Å; A14-Q18 PolarHBondContact O-N 3.47Å
15N74.7Confident70.7Confident95 Ų9590.6 Ų90.651%0.50848%0.482SS..Hα-helixtrans-63.2-35.3174.5-78-67.2000112.7D11 W13 S19D11-N15 WeakPolarHBondContact O-CB 3.46Å; D11-N15 PolarHBondContact O-N 3.36Å; D11-N15 VanDerWaalsContact O-N 3.1Å; D11-N15 PolarHBondContact O-ND2 2.8Å; W13-N15 PolarHBondContact O-N 3.49Å; N15-S19 WeakPolarHBondContact O-CB 3.3Å; N15-S19 PolarHBondContact O-N 3.27Å; N15-S19 VanDerWaalsContact O-N 3.16Å
16F81.6Confident72.3Confident13 Ų1388.5 Ų88.56%0.05747%0.466CS..Hα-helixtrans-64.2-52.3173.9170.2-116.5000111.2Q12 W13 A14 Q18 S19 L20 I30 L41 L42 Y45Q12-F16 WeakPolarHBondContact O-CB 3.47Å; Q12-F16 PolarHBondContact O-N 3.29Å; W13-F16 HydrophobicContact CD2-CD1 4.42Å; W13-F16 AromaticContact CE3-CD1 3.78Å; W13-F16 HydrophobicContact CE3-CD1 3.78Å; W13-F16 HydrophobicContact CE3-CE1 4.41Å; W13-F16 AromaticContact CH2-CD1 3.89Å; W13-F16 HydrophobicContact CH2-CD1 3.89Å; W13-F16 AromaticContact CH2-CE1 3.77Å; W13-F16 HydrophobicContact CH2-CE1 3.77Å; W13-F16 AromaticContact CZ3-CD1 3.48Å; W13-F16 HydrophobicContact CZ3-CD1 3.48Å; W13-F16 VanDerWaalsContact CZ3-CD1 3.48Å; W13-F16 AromaticContact CZ3-CE1 3.65Å; W13-F16 HydrophobicContact CZ3-CE1 3.65Å; W13-F16 WeakPolarHBondContact O-CB 3.37Å; W13-F16 PolarHBondContact O-N 2.73Å; W13-F16 VanDerWaalsContact O-N 3.17Å; A14-F16 VanDerWaalsContact C-N 3.31Å; A14-F16 PolarHBondContact O-N 3.36Å; F16-Q18 VanDerWaalsContact C-N 3.32Å; F16-Q18 PolarHBondContact O-N 3.02Å; F16-S19 WeakPolarHBondContact O-CB 3.3Å; F16-S19 PolarHBondContact O-N 3.32Å; F16-S19 PolarHBondContact O-OG 3Å; F16-L20 HydrophobicContact CD1-CD1 4.44Å; F16-L20 HydrophobicContact CE1-CD1 3.9Å; F16-L20 HydrophobicContact CE2-CD1 4.16Å; F16-L20 HydrophobicContact CE2-CD2 3.93Å; F16-L20 HydrophobicContact CE2-CG 4.18Å; F16-L20 HydrophobicContact CZ-CD1 3.76Å; F16-L20 HydrophobicContact CZ-CD2 4.17Å; F16-L20 HydrophobicContact CZ-CG 4.28Å; F16-L20 WeakPolarHBondContact O-CG 3.47Å; F16-L20 PolarHBondContact O-N 3.36Å; F16-I30 HydrophobicContact CE1-CG2 4.37Å; F16-L41 HydrophobicContact CE1-CB 3.92Å; F16-L41 HydrophobicContact CE1-CD1 4.3Å; F16-L41 HydrophobicContact CZ-CB 3.91Å; F16-L41 HydrophobicContact CZ-CD2 4.46Å; F16-L42 HydrophobicContact CB-CD2 4.01Å; F16-Y45 HydrophobicContact CB-CD1 4.1Å; F16-Y45 HydrophobicContact CB-CE1 4.22Å; F16-Y45 AromaticContact CD2-CD1 3.83Å; F16-Y45 HydrophobicContact CD2-CD1 3.83Å; F16-Y45 AromaticContact CD2-CD2 3.6Å; F16-Y45 HydrophobicContact CD2-CD2 3.6Å; F16-Y45 HydrophobicContact CD2-CE1 4.34Å; F16-Y45 HydrophobicContact CD2-CE2 4.14Å; F16-Y45 AromaticContact CD2-CG 3.42Å; F16-Y45 HydrophobicContact CD2-CG 3.42Å; F16-Y45 VanDerWaalsContact CD2-CG 3.42Å; F16-Y45 HydrophobicContact CE2-CD2 4.01Å; F16-Y45 HydrophobicContact CE2-CG 4Å; F16-Y45 HydrophobicContact CG-CD1 4.38Å; F16-Y45 HydrophobicContact CG-CG 4.36Å
17I80.4Confident73.9Confident25 Ų2584.5 Ų84.513%0.12844%0.443CS..Hα-helixtrans-58.2-43.6178.2-65.5-61.6000111.3W13 A14 S19 L20 I30 E31W13-I17 HydrophobicContact CD2-CG1 4.49Å; W13-I17 HydrophobicContact CH2-CD1 4.4Å; W13-I17 HydrophobicContact CZ2-CD1 3.74Å; W13-I17 HydrophobicContact CZ2-CG1 4.22Å; W13-I17 WeakPolarHBondContact O-CG1 3.44Å; W13-I17 PolarHBondContact O-N 2.71Å; A14-I17 PolarHBondContact O-N 3.41Å; I17-S19 PolarHBondContact O-N 2.88Å; I17-L20 HydrophobicContact CD1-CD1 4.3Å; I17-L20 PolarHBondContact O-N 3.05Å; I17-L20 VanDerWaalsContact O-N 3.15Å; I17-I30 HydrophobicContact CD1-CB 4.28Å; I17-I30 HydrophobicContact CD1-CG2 3.74Å; I17-E31 HydrophobicContact CD1-CG 4.2Å; I17-E31 HydrophobicContact CG1-CG 4.31Å
18Q73.4Confident75.2Confident166 Ų16685.3 Ų85.378%0.77644%0.437SS*.Hα-helixtrans-67.5-17.5178.5-164.517119.200113.8A14 F16A14-Q18 WeakPolarHBondContact O-CB 3.39Å; A14-Q18 PolarHBondContact O-N 3.47Å; F16-Q18 VanDerWaalsContact C-N 3.32Å; F16-Q18 PolarHBondContact O-N 3.02Å
19S69Low75.9Confident31 Ų3179.9 Ų79.922%0.21742%0.424CS..Hα-helixtrans-85.9-11.817579.30000114.3N15 F16 I17 Y45N15-S19 WeakPolarHBondContact O-CB 3.3Å; N15-S19 PolarHBondContact O-N 3.27Å; N15-S19 VanDerWaalsContact O-N 3.16Å; F16-S19 WeakPolarHBondContact O-CB 3.3Å; F16-S19 PolarHBondContact O-N 3.32Å; F16-S19 PolarHBondContact O-OG 3Å; I17-S19 PolarHBondContact O-N 2.88Å; S19-Y45 VanDerWaalsContact CB-OH 3.29Å; S19-Y45 WeakPolarHBondContact CB-OH 3.37Å; S19-Y45 WeakPolarHBondContact OG-CE2 3.09Å; S19-Y45 PolarHBondContact OG-OH 2.81Å
20L74Confident76.2Confident59 Ų5978.8 Ų78.831%0.30942%0.422SS..  trans-91.1116.6-177.5-64.4174.2000110.4F16 I17 V22 I30F16-L20 HydrophobicContact CD1-CD1 4.44Å; F16-L20 HydrophobicContact CE1-CD1 3.9Å; F16-L20 HydrophobicContact CE2-CD1 4.16Å; F16-L20 HydrophobicContact CE2-CD2 3.93Å; F16-L20 HydrophobicContact CE2-CG 4.18Å; F16-L20 HydrophobicContact CZ-CD1 3.76Å; F16-L20 HydrophobicContact CZ-CD2 4.17Å; F16-L20 HydrophobicContact CZ-CG 4.28Å; F16-L20 WeakPolarHBondContact O-CG 3.47Å; F16-L20 PolarHBondContact O-N 3.36Å; I17-L20 HydrophobicContact CD1-CD1 4.3Å; I17-L20 PolarHBondContact O-N 3.05Å; I17-L20 VanDerWaalsContact O-N 3.15Å; L20-V22 HydrophobicContact CB-CG2 3.63Å; L20-V22 PolarHBondContact O-N 3.3Å; L20-I30 HydrophobicContact CD1-CD1 3.97Å
21D65.3Low76.6Confident137 Ų13776.3 Ų76.373%0.73341%0.411SS*.  trans-78.986.8171.6-169.424.4000110.2
22V71.5Confident77Confident55 Ų5579.3 Ų79.333%0.33342%0.421SS..  trans-145.3143.6179-99.90000110.9L20 K26 I30L20-V22 HydrophobicContact CB-CG2 3.63Å; L20-V22 PolarHBondContact O-N 3.3Å; V22-K26 HydrophobicContact CB-CB 3.98Å; V22-K26 HydrophobicContact CB-CD 4.29Å; V22-K26 HydrophobicContact CG1-CB 4.06Å; V22-K26 HydrophobicContact CG1-CD 3.74Å; V22-I30 HydrophobicContact CG2-CD1 4.49Å
23D70.3Confident77.4Confident94 Ų9476.3 Ų76.350%0.50341%0.409SS..  trans-51.1147.1175.5-52.5-78.5000112.2D25 K26 A27D23-D25 PolarHBondContact O-N 3Å; D23-K26 WeakPolarHBondContact O-CB 3.47Å; D23-K26 PolarHBondContact O-N 2.89Å; D23-K26 IonicContact OD2-NZ 2.87Å; D23-K26 PolarHBondContact OD2-NZ 2.78Å; D23-A27 PolarHBondContact O-N 3.36Å; D23-A27 VanDerWaalsContact O-N 3.09Å
24P74.7Confident77.5Confident95 Ų9578.6 Ų78.662%0.61743%0.427SS*.Hα-helixtrans-53-30.9-174.9-29.535.5000115.3K28P24-K28 WeakPolarHBondContact O-CG 3.37Å; P24-K28 PolarHBondContact O-N 3.41Å
25D73.9Confident77.6Confident123 Ų12380.5 Ų80.566%0.65843%0.43SS*.Hα-helixtrans-74.5-32.1179.1-63-34.8000112.7D23 K28 G29D23-D25 PolarHBondContact O-N 3Å; D25-K28 IonicContact OD1-NZ 3.46Å; D25-G29 PolarHBondContact O-N 2.99Å
26K74.8Confident78Confident119 Ų11981.8 Ų81.852%0.51744%0.437SS..Hα-helixtrans-72.7-40.7171.8-69170.9-173.6150.50110.7V22 D23 K28 G29 I30V22-K26 HydrophobicContact CB-CB 3.98Å; V22-K26 HydrophobicContact CB-CD 4.29Å; V22-K26 HydrophobicContact CG1-CB 4.06Å; V22-K26 HydrophobicContact CG1-CD 3.74Å; D23-K26 WeakPolarHBondContact O-CB 3.47Å; D23-K26 PolarHBondContact O-N 2.89Å; D23-K26 IonicContact OD2-NZ 2.87Å; D23-K26 PolarHBondContact OD2-NZ 2.78Å; K26-K28 PolarHBondContact O-N 2.91Å; K26-G29 PolarHBondContact O-N 3.42Å; K26-G29 VanDerWaalsContact O-N 3.12Å; K26-I30 WeakPolarHBondContact O-CG1 3.17Å; K26-I30 PolarHBondContact O-N 2.66Å; K26-I30 VanDerWaalsContact O-N 3.1Å
27A78.8Confident78.1Confident18 Ų1885.6 Ų85.615%0.14946%0.455CS..Hα-helixtrans-57.4-48.1175.100000111.6D23 G29 I30 E31D23-A27 PolarHBondContact O-N 3.36Å; D23-A27 VanDerWaalsContact O-N 3.09Å; A27-G29 VanDerWaalsContact C-N 3.29Å; A27-G29 PolarHBondContact O-N 2.81Å; A27-I30 PolarHBondContact O-N 3.12Å; A27-E31 PolarHBondContact O-N 2.96Å
28K81.1Confident78.4Confident109 Ų10986 Ų8647%0.47446%0.455SS..Hα-helixtrans-57.5-37.4173.3-73.9170-173.1165.50113.5P24 D25 K26 I30 E31 Q32P24-K28 WeakPolarHBondContact O-CG 3.37Å; P24-K28 PolarHBondContact O-N 3.41Å; D25-K28 IonicContact OD1-NZ 3.46Å; K26-K28 PolarHBondContact O-N 2.91Å; K28-I30 VanDerWaalsContact C-N 3.32Å; K28-E31 PolarHBondContact O-N 3.05Å; K28-Q32 WeakPolarHBondContact O-CG 3.29Å; K28-Q32 PolarHBondContact O-N 2.73Å
29G82.4Confident78.8Confident39 Ų3985.3 Ų85.340%0.40245%0.446SS..Hα-helixtrans-63.1-38.1174.900000112.7D25 K26 A27 Q32D25-G29 PolarHBondContact O-N 2.99Å; K26-G29 PolarHBondContact O-N 3.42Å; K26-G29 VanDerWaalsContact O-N 3.12Å; A27-G29 VanDerWaalsContact C-N 3.29Å; A27-G29 PolarHBondContact O-N 2.81Å; G29-Q32 PolarHBondContact O-N 3.49Å
30I81.3Confident79.4Confident39 Ų3989.5 Ų89.520%0.246%0.462CS..Hα-helixtrans-72.3-36.9176.9-61.7167.3000110.9W13 F16 I17 L20 V22 K26 A27 K28 Q32 L33 L41W13-I30 HydrophobicContact CH2-CG2 3.95Å; W13-I30 HydrophobicContact CZ2-CG2 4.03Å; F16-I30 HydrophobicContact CE1-CG2 4.37Å; I17-I30 HydrophobicContact CD1-CB 4.28Å; I17-I30 HydrophobicContact CD1-CG2 3.74Å; L20-I30 HydrophobicContact CD1-CD1 3.97Å; V22-I30 HydrophobicContact CG2-CD1 4.49Å; K26-I30 WeakPolarHBondContact O-CG1 3.17Å; K26-I30 PolarHBondContact O-N 2.66Å; K26-I30 VanDerWaalsContact O-N 3.1Å; A27-I30 PolarHBondContact O-N 3.12Å; K28-I30 VanDerWaalsContact C-N 3.32Å; I30-Q32 PolarHBondContact O-N 2.82Å; I30-L33 HydrophobicContact CB-CD1 4.46Å; I30-L33 HydrophobicContact CG2-CD1 4.08Å; I30-L33 WeakPolarHBondContact O-CB 3.23Å; I30-L33 VanDerWaalsContact O-CG 3.28Å; I30-L33 WeakPolarHBondContact O-CG 3.37Å; I30-L33 PolarHBondContact O-N 3.02Å; I30-L41 HydrophobicContact CG2-CD1 4.22Å
31E84Confident79.8Confident93 Ų9389.4 Ų89.444%0.43546%0.461SS..Hα-helixtrans-63.3-25.2174.1-72178.4162.400113.7I17 A27 K28 K38I17-E31 HydrophobicContact CD1-CG 4.2Å; I17-E31 HydrophobicContact CG1-CG 4.31Å; A27-E31 PolarHBondContact O-N 2.96Å; K28-E31 PolarHBondContact O-N 3.05Å; E31-K38 WeakPolarHBondContact O-CE 3.31Å; E31-K38 PolarHBondContact O-NZ 3.31Å
32Q83.9Confident80.5Confident162 Ų16283.8 Ų83.876%0.75743%0.431SS*.THydrogen-bonded Turntrans-86.2-1.4179.1-71.1175.727.300114.4K28 G29 I30K28-Q32 WeakPolarHBondContact O-CG 3.29Å; K28-Q32 PolarHBondContact O-N 2.73Å; G29-Q32 PolarHBondContact O-N 3.49Å; I30-Q32 PolarHBondContact O-N 2.82Å
33L85.8Confident80.5Confident47 Ų4787.7 Ų87.725%0.24645%0.446CS..SBendtrans-66.1148.3-179.6-61.9173.8000112.2I30 Q37 K38 L41I30-L33 HydrophobicContact CB-CD1 4.46Å; I30-L33 HydrophobicContact CG2-CD1 4.08Å; I30-L33 WeakPolarHBondContact O-CB 3.23Å; I30-L33 VanDerWaalsContact O-CG 3.28Å; I30-L33 WeakPolarHBondContact O-CG 3.37Å; I30-L33 PolarHBondContact O-N 3.02Å; L33-Q37 HydrophobicContact CB-CB 4.31Å; L33-K38 HydrophobicContact CB-CG 4.2Å; L33-K38 WeakPolarHBondContact O-CE 3.45Å; L33-K38 PolarHBondContact O-NZ 3.36Å; L33-L41 HydrophobicContact CD1-CD1 3.5Å
34P86.4Confident80.5Confident76 Ų7687.5 Ų87.549%0.49445%0.445SS..  trans-56.7147.2171.7-2433.8000112.4D36 Q37 K38P34-D36 PolarHBondContact O-N 3.2Å; P34-D36 VanDerWaalsContact O-N 3.12Å; P34-Q37 WeakPolarHBondContact O-CA 3.44Å; P34-Q37 WeakPolarHBondContact O-CB 3.49Å; P34-Q37 PolarHBondContact O-N 2.78Å; P34-K38 PolarHBondContact O-N 2.81Å
35D82.8Confident80.2Confident96 Ų9685.7 Ų85.751%0.51343%0.426SS..Hα-helixtrans-58.8-31-173.2-70.7-37.3000114.2Q37 K38 R39D35-Q37 VanDerWaalsContact C-N 3.34Å; D35-Q37 PolarHBondContact O-N 3.38Å; D35-K38 PolarHBondContact O-N 3.25Å; D35-R39 WeakPolarHBondContact O-CB 3.49Å; D35-R39 VanDerWaalsContact O-CG 3.3Å; D35-R39 WeakPolarHBondContact O-CG 3.29Å; D35-R39 PolarHBondContact O-N 2.71Å
36D82.8Confident79.5Confident122 Ų12282.7 Ų82.765%0.65242%0.418SS*.Hα-helixtrans-64.6-38.3174.5-63.7-38.4000112P34 Q40P34-D36 PolarHBondContact O-N 3.2Å; P34-D36 VanDerWaalsContact O-N 3.12Å; D36-Q40 PolarHBondContact O-N 3.23Å
37Q84Confident78.5Confident93 Ų9382.8 Ų82.844%0.43543%0.428SS..Hα-helixtrans-72.8-37.6175.2-64.2-176.1-0.400111.3L33 P34 D35 Q40 L41L33-Q37 HydrophobicContact CB-CB 4.31Å; P34-Q37 WeakPolarHBondContact O-CA 3.44Å; P34-Q37 WeakPolarHBondContact O-CB 3.49Å; P34-Q37 PolarHBondContact O-N 2.78Å; D35-Q37 VanDerWaalsContact C-N 3.34Å; D35-Q37 PolarHBondContact O-N 3.38Å; Q37-Q40 PolarHBondContact O-N 3.17Å; Q37-L41 WeakPolarHBondContact O-CG 3.31Å; Q37-L41 PolarHBondContact O-N 3.18Å
38K87.2Confident77.3Confident33 Ų3388.8 Ų88.814%0.14345%0.451CS..Hα-helixtrans-60-44.5173.2-66.5-175.8167.21560111.9Y9 W13 E31 L33 P34 D35 L41 L42Y9-K38 VanDerWaalsContact OH-CB 3.27Å; Y9-K38 WeakPolarHBondContact OH-CB 3.42Å; W13-K38 HydrophobicContact CD2-CD 4.37Å; W13-K38 HydrophobicContact CE3-CB 3.94Å; W13-K38 HydrophobicContact CE3-CG 4.34Å; W13-K38 HydrophobicContact CH2-CB 3.8Å; W13-K38 HydrophobicContact CH2-CD 4.17Å; W13-K38 HydrophobicContact CH2-CG 3.53Å; W13-K38 HydrophobicContact CZ2-CB 4.38Å; W13-K38 HydrophobicContact CZ2-CD 3.92Å; W13-K38 HydrophobicContact CZ2-CG 3.76Å; W13-K38 HydrophobicContact CZ3-CB 3.55Å; W13-K38 HydrophobicContact CZ3-CD 4.48Å; W13-K38 HydrophobicContact CZ3-CG 3.84Å; W13-K38 WeakPolarHBondContact CZ3-O 3.35Å; E31-K38 WeakPolarHBondContact O-CE 3.31Å; E31-K38 PolarHBondContact O-NZ 3.31Å; L33-K38 HydrophobicContact CB-CG 4.2Å; L33-K38 WeakPolarHBondContact O-CE 3.45Å; L33-K38 PolarHBondContact O-NZ 3.36Å; P34-K38 PolarHBondContact O-N 2.81Å; D35-K38 PolarHBondContact O-N 3.25Å; K38-L41 PolarHBondContact O-N 3.07Å; K38-L42 WeakPolarHBondContact O-CB 3.42Å; K38-L42 PolarHBondContact O-N 3.19Å
39R81.8Confident76Confident151 Ų15188.3 Ų88.357%0.5745%0.454SS*.Hα-helixtrans-60.9-44.3173.8-74.2170.7178.5179.10.4112Y9 D35 L41 L42 E43Y9-R39 HydrophobicContact CE2-CG 3.87Å; D35-R39 WeakPolarHBondContact O-CB 3.49Å; D35-R39 VanDerWaalsContact O-CG 3.3Å; D35-R39 WeakPolarHBondContact O-CG 3.29Å; D35-R39 PolarHBondContact O-N 2.71Å; R39-L41 VanDerWaalsContact C-N 3.34Å; R39-L41 PolarHBondContact O-N 3.17Å; R39-L42 PolarHBondContact O-N 2.9Å; R39-E43 WeakPolarHBondContact O-CB 3.43Å; R39-E43 PolarHBondContact O-N 3.3Å
40Q80.1Confident74.8Confident120 Ų12088.6 Ų88.656%0.56145%0.449SS*.Hα-helixtrans-64.3-37.1176.9-166.1177.827.900112.4D36 Q37 N44D36-Q40 PolarHBondContact O-N 3.23Å; Q37-Q40 PolarHBondContact O-N 3.17Å; Q40-N44 WeakPolarHBondContact O-CB 3.37Å; Q40-N44 VanDerWaalsContact O-CG 3.32Å; Q40-N44 PolarHBondContact O-N 3.47Å; Q40-N44 PolarHBondContact O-ND2 3.12Å
41L82Confident74.1Confident57 Ų5795.5 Ų95.530%0.29848%0.477SS..Hα-helixtrans-66.1-43.2172.9-73.9171.6000111.9W13 F16 I30 L33 Q37 K38 R39 N44 Y45W13-L41 HydrophobicContact CH2-CD1 4.15Å; W13-L41 HydrophobicContact CZ3-CB 4.3Å; F16-L41 HydrophobicContact CE1-CB 3.92Å; F16-L41 HydrophobicContact CE1-CD1 4.3Å; F16-L41 HydrophobicContact CZ-CB 3.91Å; F16-L41 HydrophobicContact CZ-CD2 4.46Å; I30-L41 HydrophobicContact CG2-CD1 4.22Å; L33-L41 HydrophobicContact CD1-CD1 3.5Å; Q37-L41 WeakPolarHBondContact O-CG 3.31Å; Q37-L41 PolarHBondContact O-N 3.18Å; K38-L41 PolarHBondContact O-N 3.07Å; R39-L41 VanDerWaalsContact C-N 3.34Å; R39-L41 PolarHBondContact O-N 3.17Å; L41-N44 PolarHBondContact O-N 3.16Å; L41-Y45 WeakPolarHBondContact O-CB 3.38Å; L41-Y45 PolarHBondContact O-N 3.35Å
42L80.2Confident74Confident19 Ų1996 Ų9610%0.09948%0.478CS..Hα-helixtrans-63.2-39.7175.2-90.5167.4000113.1Y9 Q12 W13 F16 K38 R39 Y45 A46Y9-L42 HydrophobicContact CD2-CD1 4.01Å; Y9-L42 HydrophobicContact CE2-CD1 3.52Å; Q12-L42 HydrophobicContact CB-CD2 3.99Å; W13-L42 HydrophobicContact CB-CD1 4.4Å; W13-L42 HydrophobicContact CE3-CD1 3.8Å; W13-L42 HydrophobicContact CE3-CG 3.9Å; W13-L42 HydrophobicContact CZ3-CG 4.37Å; F16-L42 HydrophobicContact CB-CD2 4.01Å; K38-L42 WeakPolarHBondContact O-CB 3.42Å; K38-L42 PolarHBondContact O-N 3.19Å; R39-L42 PolarHBondContact O-N 2.9Å; L42-Y45 PolarHBondContact O-N 3.46Å; L42-A46 WeakPolarHBondContact O-CB 3.28Å; L42-A46 PolarHBondContact O-N 2.88Å
43E73.4Confident74.2Confident137 Ų13791.6 Ų91.664%0.6447%0.466SS*.Hα-helixtrans-64.6-46.4175.6-172.7171.9-156.400110.8R39 Y45 A46 V47R39-E43 WeakPolarHBondContact O-CB 3.43Å; R39-E43 PolarHBondContact O-N 3.3Å; E43-Y45 VanDerWaalsContact C-N 3.28Å; E43-Y45 PolarHBondContact O-N 2.73Å; E43-A46 PolarHBondContact O-N 2.7Å; E43-V47 WeakPolarHBondContact O-CG2 3.48Å; E43-V47 PolarHBondContact O-N 2.96Å; E43-V47 VanDerWaalsContact O-N 3.13Å
44N70.4Confident74.5Confident90 Ų9089.4 Ų89.448%0.48145%0.454SS..Hα-helixtrans-61.9-33.3173-75.4-48.6000113Q40 L41 K48Q40-N44 WeakPolarHBondContact O-CB 3.37Å; Q40-N44 VanDerWaalsContact O-CG 3.32Å; Q40-N44 PolarHBondContact O-N 3.47Å; Q40-N44 PolarHBondContact O-ND2 3.12Å; L41-N44 PolarHBondContact O-N 3.16Å; N44-K48 WeakPolarHBondContact O-CG 3.24Å; N44-K48 PolarHBondContact O-N 3.49Å
45Y67.3Low74.8Confident56 Ų5691.5 Ų91.522%0.2246%0.456CS..Hα-helixtrans-71.8-43.1175.7178.7-116.5000112.1F16 S19 L41 L42 E43 V47 K48 N49F16-Y45 HydrophobicContact CB-CD1 4.1Å; F16-Y45 HydrophobicContact CB-CE1 4.22Å; F16-Y45 AromaticContact CD2-CD1 3.83Å; F16-Y45 HydrophobicContact CD2-CD1 3.83Å; F16-Y45 AromaticContact CD2-CD2 3.6Å; F16-Y45 HydrophobicContact CD2-CD2 3.6Å; F16-Y45 HydrophobicContact CD2-CE1 4.34Å; F16-Y45 HydrophobicContact CD2-CE2 4.14Å; F16-Y45 AromaticContact CD2-CG 3.42Å; F16-Y45 HydrophobicContact CD2-CG 3.42Å; F16-Y45 VanDerWaalsContact CD2-CG 3.42Å; F16-Y45 HydrophobicContact CE2-CD2 4.01Å; F16-Y45 HydrophobicContact CE2-CG 4Å; F16-Y45 HydrophobicContact CG-CD1 4.38Å; F16-Y45 HydrophobicContact CG-CG 4.36Å; S19-Y45 VanDerWaalsContact CB-OH 3.29Å; S19-Y45 WeakPolarHBondContact CB-OH 3.37Å; S19-Y45 WeakPolarHBondContact OG-CE2 3.09Å; S19-Y45 PolarHBondContact OG-OH 2.81Å; L41-Y45 WeakPolarHBondContact O-CB 3.38Å; L41-Y45 PolarHBondContact O-N 3.35Å; L42-Y45 PolarHBondContact O-N 3.46Å; E43-Y45 VanDerWaalsContact C-N 3.28Å; E43-Y45 PolarHBondContact O-N 2.73Å; Y45-V47 PolarHBondContact O-N 3.26Å; Y45-K48 WeakPolarHBondContact O-CA 3.35Å; Y45-K48 WeakPolarHBondContact O-CB 3.48Å; Y45-K48 PolarHBondContact O-N 2.79Å; Y45-N49 PolarHBondContact O-N 3.19Å
46A59.5Low75.3Confident60 Ų6090.2 Ų90.250%0.49645%0.447SS..Hα-helixtrans-60-35.9175.800000112.1L42 E43 K48 N49L42-A46 WeakPolarHBondContact O-CB 3.28Å; L42-A46 PolarHBondContact O-N 2.88Å; E43-A46 PolarHBondContact O-N 2.7Å; A46-K48 VanDerWaalsContact C-N 3.29Å; A46-K48 PolarHBondContact O-N 3.18Å; A46-N49 PolarHBondContact O-N 2.83Å
47V53.2Low75.9Confident121 Ų12185.1 Ų85.173%0.73342%0.418SS*.Hα-helixtrans-69.5-23173.4173.70000112.9E43 Y45E43-V47 WeakPolarHBondContact O-CG2 3.48Å; E43-V47 PolarHBondContact O-N 2.96Å; E43-V47 VanDerWaalsContact O-N 3.13Å; Y45-V47 PolarHBondContact O-N 3.26Å
48K53.5Low76.4Confident144 Ų14480.8 Ų80.863%0.62640%0.398SS*.THydrogen-bonded Turntrans-89-1.7177.4-77.1-177.3178.1-173.40114.9N44 Y45 A46N44-K48 WeakPolarHBondContact O-CG 3.24Å; N44-K48 PolarHBondContact O-N 3.49Å; Y45-K48 WeakPolarHBondContact O-CA 3.35Å; Y45-K48 WeakPolarHBondContact O-CB 3.48Å; Y45-K48 PolarHBondContact O-N 2.79Å; A46-K48 VanDerWaalsContact C-N 3.29Å; A46-K48 PolarHBondContact O-N 3.18Å
49N54.4Low76.7Confident99 Ų9981.7 Ų81.753%0.52941%0.409SS..SBendtrans-58.9134.6174.9-92.4-49.2000110.8Y45 A46 K51Y45-N49 PolarHBondContact O-N 3.19Å; A46-N49 PolarHBondContact O-N 2.83Å; N49-K51 PolarHBondContact O-N 2.94Å
50P57.3Low77.3Confident45 Ų4577.1 Ų77.129%0.29240%0.395SS..  trans-56126.8-178.9-23.631.4000111.3F52 N97 W101P50-F52 WeakPolarHBondContact CB-O 3.45Å; P50-F52 PolarHBondContact O-N 3.43Å; P50-F52 VanDerWaalsContact O-N 3.12Å; P50-N97 HydrophobicContact CG-CB 4.24Å; P50-W101 VanDerWaalsContact CG-CD1 3.43Å; P50-W101 HydrophobicContact CG-CG 4.17Å
51K66.6Low77.9Confident184 Ų18471.4 Ų71.480%0.837%0.368SS*.SBendtrans-57.4-29.8177.3-68.3-173.6179.8-179.70112.5N49N49-K51 PolarHBondContact O-N 2.94Å
52F81.3Confident78.5Confident103 Ų10373.2 Ų73.245%0.45237%0.374SS..SBendtrans-143.4154.8176-52.2-77.5000110.5P50 H56 Y57 W101P50-F52 WeakPolarHBondContact CB-O 3.45Å; P50-F52 PolarHBondContact O-N 3.43Å; P50-F52 VanDerWaalsContact O-N 3.12Å; F52-H56 HydrophobicContact CB-CB 3.96Å; F52-H56 VanDerWaalsContact CB-CD2 3.47Å; F52-H56 WeakPolarHBondContact CB-CD2 3.37Å; F52-H56 AromaticContact CD1-CD2 3.82Å; F52-H56 AromaticContact CD1-NE2 3.87Å; F52-H56 AromaticContact CG-CD2 3.52Å; F52-H56 AromaticContact CG-NE2 3.94Å; F52-Y57 HydrophobicContact CB-CD2 4.26Å; F52-Y57 HydrophobicContact CB-CE2 3.76Å; F52-Y57 HydrophobicContact CD2-CE2 4.27Å; F52-W101 PolarHBondContact O-NE1 2.96Å
53S89.2Confident78.9Confident71 Ų7174.8 Ų74.850%0.49740%0.395SS..  trans-65.7156.5175.461.50000111.9F55 H56 Y57S53-F55 VanDerWaalsContact C-N 3.28Å; S53-F55 PolarHBondContact O-N 3.09Å; S53-H56 VanDerWaalsContact O-CB 3.29Å; S53-H56 WeakPolarHBondContact O-CB 3.41Å; S53-H56 PolarHBondContact O-N 3.39Å; S53-Y57 PolarHBondContact O-N 3.45Å
54A91.6Very high79.6Confident1 Ų168.7 Ų68.71%0.00837%0.366CS..Hα-helixtrans-56.9-42.9177.700000112.3H56 Y57 V58 W101 D104 F105A54-H56 PolarHBondContact O-N 3.25Å; A54-Y57 PolarHBondContact O-N 2.7Å; A54-V58 PolarHBondContact O-N 3.4Å; A54-W101 HydrophobicContact CB-CD2 4.13Å; A54-W101 HydrophobicContact CB-CG 4.47Å; A54-W101 HydrophobicContact CB-CZ2 4.1Å; A54-D104 HydrophobicContact CB-CB 3.7Å; A54-F105 HydrophobicContact CB-CB 3.89Å
55F92.9Very high79.9Confident119 Ų11974.8 Ų74.852%0.52238%0.383SS..Hα-helixtrans-52.4-37.1173.2177.5-98.8000113.8S53 V58 S59 Q108S53-F55 VanDerWaalsContact C-N 3.28Å; S53-F55 PolarHBondContact O-N 3.09Å; F55-V58 PolarHBondContact O-N 3.2Å; F55-S59 VanDerWaalsContact O-CB 3.29Å; F55-S59 WeakPolarHBondContact O-CB 3.33Å; F55-S59 PolarHBondContact O-N 2.95Å; F55-S59 PolarHBondContact O-OG 3.21Å; F55-Q108 HydrophobicContact CB-CG 4.27Å; F55-Q108 HydrophobicContact CD2-CG 4.29Å
56H92.7Very high79.9Confident70 Ų7074.1 Ų74.132%0.32438%0.384SS..Hα-helixtrans-63.4-47177-17776.2000111.2F52 S53 A54 S59 L60F52-H56 HydrophobicContact CB-CB 3.96Å; F52-H56 VanDerWaalsContact CB-CD2 3.47Å; F52-H56 WeakPolarHBondContact CB-CD2 3.37Å; F52-H56 AromaticContact CD1-CD2 3.82Å; F52-H56 AromaticContact CD1-NE2 3.87Å; F52-H56 AromaticContact CG-CD2 3.52Å; F52-H56 AromaticContact CG-NE2 3.94Å; S53-H56 VanDerWaalsContact O-CB 3.29Å; S53-H56 WeakPolarHBondContact O-CB 3.41Å; S53-H56 PolarHBondContact O-N 3.39Å; A54-H56 PolarHBondContact O-N 3.25Å; H56-S59 PolarHBondContact O-N 3.34Å; H56-L60 WeakPolarHBondContact NE2-CD1 3.43Å; H56-L60 WeakPolarHBondContact O-CG 3.45Å; H56-L60 PolarHBondContact O-N 3.43Å
57Y94.6Very high79.9Confident14 Ų1473 Ų736%0.05538%0.378CS..Hα-helixtrans-65.5-42177.1-73.8-83.8000112.6F52 S53 A54 S59 L60 I61 A89 T90 S93 W101F52-Y57 HydrophobicContact CB-CD2 4.26Å; F52-Y57 HydrophobicContact CB-CE2 3.76Å; F52-Y57 HydrophobicContact CD2-CE2 4.27Å; S53-Y57 PolarHBondContact O-N 3.45Å; A54-Y57 PolarHBondContact O-N 2.7Å; Y57-S59 VanDerWaalsContact C-N 3.32Å; Y57-S59 PolarHBondContact O-N 2.85Å; Y57-L60 WeakPolarHBondContact O-CB 3.35Å; Y57-L60 PolarHBondContact O-N 2.85Å; Y57-I61 VanDerWaalsContact O-CG1 3.28Å; Y57-I61 WeakPolarHBondContact O-CG1 3.5Å; Y57-I61 PolarHBondContact O-N 3.16Å; Y57-A89 HydrophobicContact CE1-CB 3.62Å; Y57-T90 WeakPolarHBondContact CD1-OG1 3.27Å; Y57-S93 PolarHBondContact OH-OG 2.86Å; Y57-W101 HydrophobicContact CD2-CH2 4.12Å; Y57-W101 AromaticContact CD2-CZ2 3.51Å; Y57-W101 HydrophobicContact CD2-CZ2 3.51Å; Y57-W101 AromaticContact CE2-CZ2 3.85Å; Y57-W101 HydrophobicContact CE2-CZ2 3.85Å; Y57-W101 HydrophobicContact CG-CH2 4.48Å; Y57-W101 HydrophobicContact CG-CZ2 4.28Å
58V95.8Very high79.8Confident3 Ų377.5 Ų77.52%0.01838%0.382CS..Hα-helixtrans-62.9-41.3176.2-176.70000111.1A54 F55 L60 I61 K62 F105 Q108 G110 A113A54-V58 PolarHBondContact O-N 3.4Å; F55-V58 PolarHBondContact O-N 3.2Å; V58-L60 VanDerWaalsContact C-N 3.34Å; V58-L60 PolarHBondContact O-N 2.83Å; V58-I61 PolarHBondContact O-N 2.81Å; V58-K62 HydrophobicContact CG1-CD 3.93Å; V58-K62 HydrophobicContact CG1-CG 4.24Å; V58-K62 WeakPolarHBondContact O-CB 3.4Å; V58-K62 WeakPolarHBondContact O-CG 3.32Å; V58-K62 PolarHBondContact O-N 3.04Å; V58-F105 HydrophobicContact CG2-CD2 3.55Å; V58-F105 HydrophobicContact CG2-CE2 3.64Å; V58-F105 HydrophobicContact CG2-CG 4.25Å; V58-F105 HydrophobicContact CG2-CZ 4.41Å; V58-Q108 HydrophobicContact CB-CB 4.48Å; V58-Q108 WeakPolarHBondContact CG1-O 3.45Å; V58-Q108 HydrophobicContact CG2-CB 4.19Å; V58-G110 VanDerWaalsContact CG2-CA 3.48Å; V58-A113 HydrophobicContact CG1-CB 3.99Å
59S93.5Very high79.6Confident52 Ų5275.3 Ų75.336%0.36439%0.385SS..Hα-helixtrans-60.6-42174.4-62.40000112.3F55 H56 Y57 G63F55-S59 VanDerWaalsContact O-CB 3.29Å; F55-S59 WeakPolarHBondContact O-CB 3.33Å; F55-S59 PolarHBondContact O-N 2.95Å; F55-S59 PolarHBondContact O-OG 3.21Å; H56-S59 PolarHBondContact O-N 3.34Å; Y57-S59 VanDerWaalsContact C-N 3.32Å; Y57-S59 PolarHBondContact O-N 2.85Å; S59-G63 PolarHBondContact O-N 2.66Å
60L93.6Very high79.4Confident54 Ų5471.3 Ų71.328%0.28336%0.364SS..Hα-helixtrans-62.7-45.2174.9-74.3175000112H56 Y57 V58 G63 L64 I86H56-L60 WeakPolarHBondContact NE2-CD1 3.43Å; H56-L60 WeakPolarHBondContact O-CG 3.45Å; H56-L60 PolarHBondContact O-N 3.43Å; Y57-L60 WeakPolarHBondContact O-CB 3.35Å; Y57-L60 PolarHBondContact O-N 2.85Å; V58-L60 VanDerWaalsContact C-N 3.34Å; V58-L60 PolarHBondContact O-N 2.83Å; L60-G63 PolarHBondContact O-N 2.96Å; L60-L64 PolarHBondContact O-N 3.24Å; L60-I86 HydrophobicContact CB-CD1 4.01Å; L60-I86 HydrophobicContact CB-CG1 4.31Å; L60-I86 HydrophobicContact CB-CG2 3.87Å; L60-I86 HydrophobicContact CD1-CG1 4.28Å; L60-I86 HydrophobicContact CD2-CD1 4.2Å; L60-I86 HydrophobicContact CG-CD1 4.49Å
61I94.2Very high79Confident0 Ų071 Ų710%036%0.36CS..Hα-helixtrans-65.2-46.4178.2-63.1162.5000111Y57 V58 G63 L64 I86 L87 T90 F105 A113Y57-I61 VanDerWaalsContact O-CG1 3.28Å; Y57-I61 WeakPolarHBondContact O-CG1 3.5Å; Y57-I61 PolarHBondContact O-N 3.16Å; V58-I61 PolarHBondContact O-N 2.81Å; I61-G63 PolarHBondContact O-N 3.17Å; I61-L64 WeakPolarHBondContact O-CB 3.27Å; I61-L64 PolarHBondContact O-N 3.44Å; I61-I86 HydrophobicContact CG1-CG2 3.94Å; I61-L87 HydrophobicContact CD1-CD2 4.36Å; I61-L87 HydrophobicContact CG1-CD2 4.19Å; I61-T90 HydrophobicContact CD1-CG2 3.92Å; I61-F105 HydrophobicContact CD1-CE2 4.01Å; I61-F105 HydrophobicContact CD1-CZ 4.13Å; I61-A113 HydrophobicContact CB-CB 4.25Å; I61-A113 HydrophobicContact CG2-CB 3.8Å; I61-A113 WeakPolarHBondContact CG2-O 3.34Å
62K92.8Very high77.9Confident95 Ų9566.1 Ų66.141%0.41335%0.346SS..Hα-helixtrans-58.7-33174.5-73178.5173.4171.50111.3V58 Q108 E109 A113V58-K62 HydrophobicContact CG1-CD 3.93Å; V58-K62 HydrophobicContact CG1-CG 4.24Å; V58-K62 WeakPolarHBondContact O-CB 3.4Å; V58-K62 WeakPolarHBondContact O-CG 3.32Å; V58-K62 PolarHBondContact O-N 3.04Å; K62-Q108 PolarHBondContact NZ-O 2.75Å; K62-E109 IonicContact NZ-OE2 2.68Å; K62-E109 PolarHBondContact NZ-OE2 3.41Å; K62-A113 HydrophobicContact CD-CB 4.46Å; K62-A113 HydrophobicContact CG-CB 3.66Å
63G88.9Confident76.1Confident52 Ų5271.1 Ų71.154%0.53637%0.367SS..Hα-helixtrans-72.8-1617500000116.1S59 L60 I61 R65S59-G63 PolarHBondContact O-N 2.66Å; L60-G63 PolarHBondContact O-N 2.96Å; I61-G63 PolarHBondContact O-N 3.17Å; G63-R65 PolarHBondContact O-N 3.29Å
64L88.2Confident74Confident9 Ų974.2 Ų74.25%0.04738%0.378CS..  trans-65.6122.5-178.4-67178.8000111.8L60 I61 A83 I86 Y117L60-L64 PolarHBondContact O-N 3.24Å; I61-L64 WeakPolarHBondContact O-CB 3.27Å; I61-L64 PolarHBondContact O-N 3.44Å; L64-A83 HydrophobicContact CD1-CB 4.02Å; L64-A83 HydrophobicContact CD2-CB 3.85Å; L64-I86 HydrophobicContact CD2-CD1 3.74Å; L64-Y117 HydrophobicContact CB-CD2 3.64Å; L64-Y117 HydrophobicContact CB-CE2 3.73Å; L64-Y117 HydrophobicContact CD1-CD2 3.69Å; L64-Y117 HydrophobicContact CD1-CE2 3.67Å; L64-Y117 HydrophobicContact CD1-CG 4.22Å; L64-Y117 HydrophobicContact CG-CD2 4.32Å; L64-Y117 HydrophobicContact CG-CE2 4.3Å
65R77.4Confident71.9Confident219 Ų21975.3 Ų75.383%0.82639%0.385SS*.  trans-101.8125.3178-63.5-170.4-179.5-153-0.4111.3G63G63-R65 PolarHBondContact O-N 3.29Å
66V67.7Low69.8Low41 Ų4179.2 Ų79.225%0.24840%0.397CS..  trans-111.1106.1171.5-174.90000107Y117 V121 M124V66-Y117 HydrophobicContact CG2-CD2 4.1Å; V66-Y117 HydrophobicContact CG2-CE2 3.61Å; V66-V121 HydrophobicContact CG1-CG2 4.28Å; V66-V121 HydrophobicContact CG2-CG2 3.7Å; V66-M124 HydrophobicContact CG1-CE 3.54Å; V66-M124 HydrophobicContact CG1-SD 3.51Å; V66-M124 VanDerWaalsContact CG1-SD 3.51Å
67G57.7Low67.8Low36 Ų3684.4 Ų84.437%0.37142%0.418SS..  trans-137.8151-176.200000111.8S69 T70G67-S69 PolarHBondContact O-N 3.49Å; G67-T70 PolarHBondContact O-N 3.26Å; G67-T70 PolarHBondContact O-OG1 2.95Å
68R51.4Low66.1Low216 Ų21685.8 Ų85.882%0.81544%0.437SS*.G310 helixtrans-50.1-26.4-172.8-75.4-177.2174.7171.7-1.1115.1T70 L71R68-T70 PolarHBondContact O-N 3.35Å; R68-L71 WeakPolarHBondContact O-CB 3.44Å; R68-L71 PolarHBondContact O-N 3.05Å
69S50Low64.8Low99 Ų9988.8 Ų88.869%0.69245%0.453SS*.G310 helixtrans-63.4-22.2176.6-54.70000114.6G67 L71 T72G67-S69 PolarHBondContact O-N 3.49Å; S69-L71 PolarHBondContact O-N 3.24Å; S69-T72 PolarHBondContact O-OG1 2.72Å
70T50.9Low63.7Low14 Ų1486.6 Ų86.69%0.08644%0.438CS..G310 helixtrans-73.1-10.2175.962.60000113.4G67 R68G67-T70 PolarHBondContact O-N 3.26Å; G67-T70 PolarHBondContact O-OG1 2.95Å; R68-T70 PolarHBondContact O-N 3.35Å
71L47.2Very low63.1Low39 Ų3987.5 Ų87.520%0.20444%0.441CS..G310 helixtrans-93.72.4-176.6-58.1171.9000113.9R68 S69 M124 L128 I211R68-L71 WeakPolarHBondContact O-CB 3.44Å; R68-L71 PolarHBondContact O-N 3.05Å; S69-L71 PolarHBondContact O-N 3.24Å; L71-M124 HydrophobicContact CD1-CG 4Å; L71-M124 HydrophobicContact CD1-SD 3.88Å; L71-M124 HydrophobicContact CD2-CE 4.06Å; L71-M124 HydrophobicContact CD2-CG 4.39Å; L71-M124 HydrophobicContact CD2-SD 3.82Å; L71-M124 HydrophobicContact CG-SD 3.99Å; L71-L128 HydrophobicContact CD1-CD1 3.86Å; L71-L128 HydrophobicContact CD1-CD2 4.18Å; L71-L128 HydrophobicContact CD1-CG 4.32Å; L71-L128 HydrophobicContact CD2-CD1 3.57Å; L71-L128 HydrophobicContact CG-CD1 4.28Å; L71-I211 HydrophobicContact CD2-CD1 4.36Å
72T45.5Very low62.7Low81 Ų8192.1 Ų92.150%0.49746%0.462SS..SBendtrans-87156.2173.4740000110.1S69 N74 P75S69-T72 PolarHBondContact O-OG1 2.72Å; T72-N74 CarbonylContact O-C 3.56Å; T72-N74 PolarHBondContact O-N 2.95Å; T72-N74 PolarHBondContact OG1-O 3.45Å; T72-N74 VanDerWaalsContact OG1-O 3.07Å; T72-P75 VanDerWaalsContact O-CD 3.24Å; T72-P75 WeakPolarHBondContact O-CD 3.03Å
73K42.8Very low62.5Low209 Ų20987.7 Ų87.791%0.90944%0.444SS*.SBendtrans-59-13.9179.7-76.5-177.1174.4-179.70114.4
74N43.8Very low62.6Low135 Ų13588.3 Ų88.372%0.72243%0.432SS*.SBendtrans-118.385.2163.8-80.2-27.7000109.1T72T72-N74 CarbonylContact O-C 3.56Å; T72-N74 PolarHBondContact O-N 2.95Å; T72-N74 PolarHBondContact OG1-O 3.45Å; T72-N74 VanDerWaalsContact OG1-O 3.07Å
75P48Very low62.7Low25 Ų2592.9 Ų92.916%0.16245%0.453CS..  trans-57.7156.3159.1-10.826.3000107.9T72 K77T72-P75 VanDerWaalsContact O-CD 3.24Å; T72-P75 WeakPolarHBondContact O-CD 3.03Å; P75-K77 VanDerWaalsContact C-N 3.28Å; P75-K77 PolarHBondContact O-N 2.71Å
76R49.4Very low63.5Low201 Ų20183.2 Ų83.276%0.75842%0.417SS*.  trans-59.9105151.5-75.2-177176.9174.2-2.2105.2G78 D79R76-G78 PolarHBondContact O-N 2.84Å; R76-D79 PolarHBondContact O-N 3.25Å
77K49.8Very low64.8Low178 Ų17881.3 Ų81.377%0.77441%0.406SS*.Hα-helixtrans-55.7-24.4-169.6-84.5-175.7172.3-1780112.9P75 Q81P75-K77 VanDerWaalsContact C-N 3.28Å; P75-K77 PolarHBondContact O-N 2.71Å; K77-Q81 VanDerWaalsContact O-CB 3.24Å; K77-Q81 WeakPolarHBondContact O-CB 3.43Å
78G60.3Low66.5Low44 Ų4482.7 Ų82.745%0.45440%0.404SS..Hα-helixtrans-56.4-70170.700000113R76 A80 Q81 Q82R76-G78 PolarHBondContact O-N 2.84Å; G78-A80 PolarHBondContact O-N 3.08Å; G78-A80 VanDerWaalsContact O-N 3.1Å; G78-Q81 PolarHBondContact O-N 2.88Å; G78-Q82 VanDerWaalsContact O-CB 3.3Å; G78-Q82 WeakPolarHBondContact O-CB 3.48Å; G78-Q82 PolarHBondContact O-N 3.01Å
79D68.2Low68.5Low66 Ų6674 Ų7435%0.35338%0.378SS..Hα-helixtrans-51-45.5-160.6-50.212.9000114.6R76 A83R76-D79 PolarHBondContact O-N 3.25Å; D79-A83 PolarHBondContact O-N 3.3Å; D79-A83 VanDerWaalsContact O-N 3.16Å
80A69.9Low70.6Confident6 Ų669.2 Ų69.25%0.0535%0.345CS..Hα-helixtrans-78.5-33.1-179.500000113.5G78 K84 S210 I211G78-A80 PolarHBondContact O-N 3.08Å; G78-A80 VanDerWaalsContact O-N 3.1Å; A80-K84 PolarHBondContact O-N 3.47Å; A80-S210 WeakPolarHBondContact CB-OG 3.27Å; A80-I211 HydrophobicContact CB-CG1 3.88Å
81Q80.5Confident72.7Confident73 Ų7369.1 Ų69.134%0.34134%0.344SS..Hα-helixtrans-70.5-40174.1178.861.523.800110.6K77 G78 A83 K84 E85K77-Q81 VanDerWaalsContact O-CB 3.24Å; K77-Q81 WeakPolarHBondContact O-CB 3.43Å; G78-Q81 PolarHBondContact O-N 2.88Å; Q81-A83 VanDerWaalsContact C-N 3.31Å; Q81-A83 PolarHBondContact O-N 2.93Å; Q81-K84 WeakPolarHBondContact O-CB 3.08Å; Q81-K84 PolarHBondContact O-N 3.35Å; Q81-E85 WeakPolarHBondContact CG-OE1 3.39Å; Q81-E85 PolarHBondContact NE2-OE1 3.33Å; Q81-E85 WeakPolarHBondContact O-CG 3.39Å; Q81-E85 PolarHBondContact O-N 2.9Å
82Q86Confident74.7Confident96 Ų9670.5 Ų70.545%0.44935%0.351SS..Hα-helixtrans-59.4-40.6174.1-165.8-169.97.800111.2G78 E85 I86G78-Q82 VanDerWaalsContact O-CB 3.3Å; G78-Q82 WeakPolarHBondContact O-CB 3.48Å; G78-Q82 PolarHBondContact O-N 3.01Å; Q82-E85 PolarHBondContact O-N 3.47Å; Q82-I86 HydrophobicContact CG-CD1 3.78Å; Q82-I86 HydrophobicContact CG-CG1 4.47Å; Q82-I86 WeakPolarHBondContact O-CB 3.34Å; Q82-I86 VanDerWaalsContact O-CG1 3.26Å; Q82-I86 WeakPolarHBondContact O-CG1 3.39Å; Q82-I86 PolarHBondContact O-N 3.49Å
83A90Very high76.9Confident3 Ų367 Ų673%0.02533%0.33CS..Hα-helixtrans-61.9-43174.800000113.1L64 D79 Q81 L87 Y117L64-A83 HydrophobicContact CD1-CB 4.02Å; L64-A83 HydrophobicContact CD2-CB 3.85Å; D79-A83 PolarHBondContact O-N 3.3Å; D79-A83 VanDerWaalsContact O-N 3.16Å; Q81-A83 VanDerWaalsContact C-N 3.31Å; Q81-A83 PolarHBondContact O-N 2.93Å; A83-L87 WeakPolarHBondContact O-CB 2.79Å; A83-L87 WeakPolarHBondContact O-CG 3.49Å; A83-L87 PolarHBondContact O-N 3.41Å; A83-L87 VanDerWaalsContact O-N 3.09Å; A83-Y117 HydrophobicContact CB-CE2 4.32Å; A83-Y117 WeakPolarHBondContact CB-OH 3.18Å
84K90.1Very high79.3Confident64 Ų6457.5 Ų57.528%0.27829%0.289SS..Hα-helixtrans-59.9-47.4173.4176.7-172-179.4169.40111.3A80 Q81 L88 D213A80-K84 PolarHBondContact O-N 3.47Å; Q81-K84 WeakPolarHBondContact O-CB 3.08Å; Q81-K84 PolarHBondContact O-N 3.35Å; K84-L88 VanDerWaalsContact O-CB 3.24Å; K84-L88 WeakPolarHBondContact O-CB 3.39Å; K84-L88 PolarHBondContact O-N 2.86Å; K84-D213 HydrophobicContact CD-CB 3.57Å; K84-D213 WeakPolarHBondContact CE-OD2 3.24Å; K84-D213 HydrophobicContact CG-CB 3.93Å; K84-D213 IonicContact NZ-OD2 2.67Å; K84-D213 PolarHBondContact NZ-OD2 3.5Å
85E90.8Very high81.5Confident106 Ų10658.7 Ų58.750%0.49528%0.283SS..Hα-helixtrans-66.7-42.4-178-73168.1-169.800112.7Q81 Q82 L88 A89Q81-E85 WeakPolarHBondContact CG-OE1 3.39Å; Q81-E85 PolarHBondContact NE2-OE1 3.33Å; Q81-E85 WeakPolarHBondContact O-CG 3.39Å; Q81-E85 PolarHBondContact O-N 2.9Å; Q82-E85 PolarHBondContact O-N 3.47Å; E85-L88 PolarHBondContact O-N 3.09Å; E85-A89 WeakPolarHBondContact O-CB 3.4Å; E85-A89 PolarHBondContact O-N 2.94Å
86I92.9Very high83.4Confident16 Ų1660.6 Ų60.68%0.08230%0.295CS..Hα-helixtrans-61.2-52.2175.8-73.2165.5000110.2L60 I61 L64 Q82 L88 A89 T90L60-I86 HydrophobicContact CB-CD1 4.01Å; L60-I86 HydrophobicContact CB-CG1 4.31Å; L60-I86 HydrophobicContact CB-CG2 3.87Å; L60-I86 HydrophobicContact CD1-CG1 4.28Å; L60-I86 HydrophobicContact CD2-CD1 4.2Å; L60-I86 HydrophobicContact CG-CD1 4.49Å; I61-I86 HydrophobicContact CG1-CG2 3.94Å; L64-I86 HydrophobicContact CD2-CD1 3.74Å; Q82-I86 HydrophobicContact CG-CD1 3.78Å; Q82-I86 HydrophobicContact CG-CG1 4.47Å; Q82-I86 WeakPolarHBondContact O-CB 3.34Å; Q82-I86 VanDerWaalsContact O-CG1 3.26Å; Q82-I86 WeakPolarHBondContact O-CG1 3.39Å; Q82-I86 PolarHBondContact O-N 3.49Å; I86-L88 VanDerWaalsContact C-N 3.3Å; I86-L88 PolarHBondContact O-N 3.43Å; I86-A89 PolarHBondContact O-N 3.32Å; I86-T90 PolarHBondContact O-N 3.17Å; I86-T90 PolarHBondContact O-OG1 3.48Å
87L95.1Very high85.1Confident0 Ų052.4 Ų52.40%027%0.266CS..Hα-helixtrans-66.7-31.2-178.9-67.7170.4000112.5I61 A83 T90 E91 L114 Y117 S214 Q217 C221I61-L87 HydrophobicContact CD1-CD2 4.36Å; I61-L87 HydrophobicContact CG1-CD2 4.19Å; A83-L87 WeakPolarHBondContact O-CB 2.79Å; A83-L87 WeakPolarHBondContact O-CG 3.49Å; A83-L87 PolarHBondContact O-N 3.41Å; A83-L87 VanDerWaalsContact O-N 3.09Å; L87-T90 PolarHBondContact O-N 3.41Å; L87-E91 PolarHBondContact O-N 2.99Å; L87-L114 HydrophobicContact CD2-CD1 3.93Å; L87-Y117 HydrophobicContact CD1-CD1 3.75Å; L87-Y117 HydrophobicContact CD1-CE1 3.45Å; L87-Y117 VanDerWaalsContact CD1-CE1 3.45Å; L87-S214 VanDerWaalsContact CD1-O 3.25Å; L87-S214 WeakPolarHBondContact CD1-O 3.49Å; L87-Q217 HydrophobicContact CB-CB 4.05Å; L87-Q217 HydrophobicContact CB-CG 3.72Å; L87-C221 PolarHBondContact O-SG 3.41Å
88L94.2Very high86.6Confident65 Ų6546.8 Ų46.834%0.3424%0.244SC..Hα-helixtrans-66.4-47.2174.9177.262.6000110.6K84 E85 I86 T90 E91 I92 Q217K84-L88 VanDerWaalsContact O-CB 3.24Å; K84-L88 WeakPolarHBondContact O-CB 3.39Å; K84-L88 PolarHBondContact O-N 2.86Å; E85-L88 PolarHBondContact O-N 3.09Å; I86-L88 VanDerWaalsContact C-N 3.3Å; I86-L88 PolarHBondContact O-N 3.43Å; L88-T90 VanDerWaalsContact C-N 3.3Å; L88-T90 PolarHBondContact O-N 2.55Å; L88-E91 PolarHBondContact O-N 2.77Å; L88-I92 HydrophobicContact CD1-CD1 3.98Å; L88-I92 HydrophobicContact CD1-CG1 4.43Å; L88-I92 HydrophobicContact CG-CD1 4.01Å; L88-I92 WeakPolarHBondContact O-CD1 3.48Å; L88-I92 VanDerWaalsContact O-CG1 3.27Å; L88-I92 WeakPolarHBondContact O-CG1 3.49Å; L88-I92 PolarHBondContact O-N 3.4Å; L88-Q217 VanDerWaalsContact CA-CG 3.47Å; L88-Q217 HydrophobicContact CB-CG 3.97Å; L88-Q217 VanDerWaalsContact N-CG 3.26Å
89A92.9Very high87.8Confident33 Ų3346.9 Ų46.927%0.27324%0.236SC..Hα-helixtrans-66.8-31.317600000112.3Y57 E85 I86 S93Y57-A89 HydrophobicContact CE1-CB 3.62Å; E85-A89 WeakPolarHBondContact O-CB 3.4Å; E85-A89 PolarHBondContact O-N 2.94Å; I86-A89 PolarHBondContact O-N 3.32Å; A89-S93 VanDerWaalsContact O-CB 3.29Å; A89-S93 WeakPolarHBondContact O-CB 3.43Å; A89-S93 PolarHBondContact O-N 3.38Å; A89-S93 PolarHBondContact O-OG 3.37Å
90T95.1Very high88.7Confident0 Ų046 Ų460%024%0.237CC..Hα-helixtrans-65.9-50171.6-59.40000112.1Y57 I61 I86 L87 L88 I92 S93 L94 F105Y57-T90 WeakPolarHBondContact CD1-OG1 3.27Å; I61-T90 HydrophobicContact CD1-CG2 3.92Å; I86-T90 PolarHBondContact O-N 3.17Å; I86-T90 PolarHBondContact O-OG1 3.48Å; L87-T90 PolarHBondContact O-N 3.41Å; L88-T90 VanDerWaalsContact C-N 3.3Å; L88-T90 PolarHBondContact O-N 2.55Å; T90-I92 PolarHBondContact O-N 3.26Å; T90-S93 WeakPolarHBondContact O-CB 3.35Å; T90-S93 PolarHBondContact O-N 3.05Å; T90-L94 HydrophobicContact CG2-CD1 3.93Å; T90-L94 HydrophobicContact CG2-CG 4.32Å; T90-L94 WeakPolarHBondContact O-CG 3.15Å; T90-L94 PolarHBondContact O-N 3.44Å; T90-F105 HydrophobicContact CG2-CE2 3.7Å; T90-F105 HydrophobicContact CG2-CZ 3.91Å
91E94.7Very high89.7Confident11 Ų1146.1 Ų46.15%0.05124%0.236CC..Hα-helixtrans-59.5-46.6177.9175.9-108120.900112.3L87 L88 S93 L94 R95 Q217 R220L87-E91 PolarHBondContact O-N 2.99Å; L88-E91 PolarHBondContact O-N 2.77Å; E91-S93 VanDerWaalsContact C-N 3.27Å; E91-S93 PolarHBondContact O-N 3.26Å; E91-L94 PolarHBondContact O-N 2.91Å; E91-R95 WeakPolarHBondContact O-CB 3.42Å; E91-R95 PolarHBondContact O-N 3.07Å; E91-R95 IonicContact OE1-CZ 3.62Å; E91-R95 VanDerWaalsContact OE1-CZ 3.29Å; E91-R95 IonicContact OE1-NE 3.96Å; E91-R95 PolarHBondContact OE1-NE 3Å; E91-R95 IonicContact OE1-NH2 2.69Å; E91-R95 PolarHBondContact OE1-NH2 2.95Å; E91-Q217 PolarHBondContact OE2-NE2 2.97Å; E91-R220 HydrophobicContact CG-CB 3.81Å
92I89.3Confident90.3Very high68 Ų6843 Ų4335%0.34922%0.222SC..Hα-helixtrans-57.2-48.3176.7-67166.1000108.8L88 T90 L94 R95 T96L88-I92 HydrophobicContact CD1-CD1 3.98Å; L88-I92 HydrophobicContact CD1-CG1 4.43Å; L88-I92 HydrophobicContact CG-CD1 4.01Å; L88-I92 WeakPolarHBondContact O-CD1 3.48Å; L88-I92 VanDerWaalsContact O-CG1 3.27Å; L88-I92 WeakPolarHBondContact O-CG1 3.49Å; L88-I92 PolarHBondContact O-N 3.4Å; T90-I92 PolarHBondContact O-N 3.26Å; I92-L94 PolarHBondContact O-N 3.35Å; I92-R95 CarbonylContact O-C 3.58Å; I92-R95 PolarHBondContact O-N 3.06Å; I92-R95 VanDerWaalsContact O-N 3.08Å; I92-T96 HydrophobicContact CG2-CG2 4.11Å; I92-T96 WeakPolarHBondContact O-CB 3.31Å; I92-T96 WeakPolarHBondContact O-CG2 3.32Å; I92-T96 PolarHBondContact O-N 3.21Å; I92-T96 PolarHBondContact O-OG1 3.42Å
93S92Very high90.7Very high8 Ų842 Ų426%0.05622%0.215CC..Hα-helixtrans-60.4-42.7178.6-60.40000113.3Y57 A89 T90 E91 R95 N97Y57-S93 PolarHBondContact OH-OG 2.86Å; A89-S93 VanDerWaalsContact O-CB 3.29Å; A89-S93 WeakPolarHBondContact O-CB 3.43Å; A89-S93 PolarHBondContact O-N 3.38Å; A89-S93 PolarHBondContact O-OG 3.37Å; T90-S93 WeakPolarHBondContact O-CB 3.35Å; T90-S93 PolarHBondContact O-N 3.05Å; E91-S93 VanDerWaalsContact C-N 3.27Å; E91-S93 PolarHBondContact O-N 3.26Å; S93-R95 PolarHBondContact O-N 3.03Å; S93-N97 WeakPolarHBondContact CB-ND2 3.36Å; S93-N97 VanDerWaalsContact O-CB 3.23Å; S93-N97 WeakPolarHBondContact O-CB 3.49Å; S93-N97 VanDerWaalsContact O-CG 3.23Å; S93-N97 PolarHBondContact O-N 3.04Å; S93-N97 VanDerWaalsContact O-N 3.12Å; S93-N97 PolarHBondContact O-ND2 3.47Å
94L93.2Very high90.9Very high10 Ų1046.2 Ų46.25%0.05224%0.237CC..Hα-helixtrans-61.7-27.8175.4-75.7168.5000113.2T90 E91 I92 W101 V102 F105 C221 A224 L225T90-L94 HydrophobicContact CG2-CD1 3.93Å; T90-L94 HydrophobicContact CG2-CG 4.32Å; T90-L94 WeakPolarHBondContact O-CG 3.15Å; T90-L94 PolarHBondContact O-N 3.44Å; E91-L94 PolarHBondContact O-N 2.91Å; I92-L94 PolarHBondContact O-N 3.35Å; L94-W101 HydrophobicContact CD2-CZ3 3.9Å; L94-W101 HydrophobicContact CG-CZ3 4.04Å; L94-V102 HydrophobicContact CD2-CG1 4.08Å; L94-V102 HydrophobicContact CD2-CG2 4.48Å; L94-F105 HydrophobicContact CD1-CE1 4.41Å; L94-F105 HydrophobicContact CD2-CB 4.42Å; L94-F105 HydrophobicContact CD2-CD1 3.75Å; L94-F105 HydrophobicContact CD2-CE1 4.14Å; L94-F105 HydrophobicContact CD2-CG 4.03Å; L94-C221 HydrophobicContact CD1-CB 4.07Å; L94-A224 HydrophobicContact CB-CB 3.74Å; L94-A224 HydrophobicContact CD1-CB 4.38Å; L94-L225 HydrophobicContact CD1-CD2 4.33Å; L94-L225 HydrophobicContact CD1-CG 4.19Å; L94-L225 HydrophobicContact CD2-CD2 3.7Å; L94-L225 HydrophobicContact CD2-CG 4.44Å
95R89.8Confident91.2Very high159 Ų15943.1 Ų43.160%0.622%0.224SC*.Hα-helixtrans-100.1-22.2-177-176.6170.253.174.95.5114.3E91 I92 S93E91-R95 WeakPolarHBondContact O-CB 3.42Å; E91-R95 PolarHBondContact O-N 3.07Å; E91-R95 IonicContact OE1-CZ 3.62Å; E91-R95 VanDerWaalsContact OE1-CZ 3.29Å; E91-R95 IonicContact OE1-NE 3.96Å; E91-R95 PolarHBondContact OE1-NE 3Å; E91-R95 IonicContact OE1-NH2 2.69Å; E91-R95 PolarHBondContact OE1-NH2 2.95Å; I92-R95 CarbonylContact O-C 3.58Å; I92-R95 PolarHBondContact O-N 3.06Å; I92-R95 VanDerWaalsContact O-N 3.08Å; S93-R95 PolarHBondContact O-N 3.03Å
96T86.3Confident91.5Very high66 Ų6638.3 Ų38.341%0.40520%0.201SC..Hα-helixtrans-114.6-17.4-172.866.80000115.5I92I92-T96 HydrophobicContact CG2-CG2 4.11Å; I92-T96 WeakPolarHBondContact O-CB 3.31Å; I92-T96 WeakPolarHBondContact O-CG2 3.32Å; I92-T96 PolarHBondContact O-N 3.21Å; I92-T96 PolarHBondContact O-OG1 3.42Å
97N85.1Confident91.6Very high28 Ų2841.9 Ų41.915%0.1522%0.221CC..SBendtrans-82.6174.2175.9-60.1-15.5000110.6P50 S93 W101P50-N97 HydrophobicContact CG-CB 4.24Å; S93-N97 WeakPolarHBondContact CB-ND2 3.36Å; S93-N97 VanDerWaalsContact O-CB 3.23Å; S93-N97 WeakPolarHBondContact O-CB 3.49Å; S93-N97 VanDerWaalsContact O-CG 3.23Å; S93-N97 PolarHBondContact O-N 3.04Å; S93-N97 VanDerWaalsContact O-N 3.12Å; S93-N97 PolarHBondContact O-ND2 3.47Å; N97-W101 HydrophobicContact CB-CB 3.81Å; N97-W101 HydrophobicContact CB-CD2 4.12Å; N97-W101 HydrophobicContact CB-CE3 4.38Å; N97-W101 HydrophobicContact CB-CG 3.87Å; N97-W101 VanDerWaalsContact ND2-CD2 3.26Å; N97-W101 VanDerWaalsContact ND2-CE2 3.29Å; N97-W101 PolarHBondContact ND2-NE1 2.85Å
98N81.9Confident91.6Very high61 Ų6145.9 Ų45.933%0.32624%0.239SC..  trans-69.9160.5174.565.9-0.6000111.9A100 W101 V102N98-A100 PolarHBondContact O-N 3.06Å; N98-W101 WeakPolarHBondContact O-CB 3.37Å; N98-W101 PolarHBondContact O-N 3.47Å; N98-W101 WeakPolarHBondContact OD1-CB 3.35Å; N98-W101 PolarHBondContact OD1-N 2.93Å; N98-V102 PolarHBondContact O-N 3.31Å
99V85.4Confident91.7Very high46 Ų4648.2 Ų48.228%0.27925%0.248SC..Hα-helixtrans-58.5-32.2179.4670000112.7W101 V102 Y103 N228V99-W101 VanDerWaalsContact C-N 3.33Å; V99-W101 PolarHBondContact O-N 3.04Å; V99-V102 WeakPolarHBondContact O-CB 3.48Å; V99-V102 PolarHBondContact O-N 3.26Å; V99-V102 VanDerWaalsContact O-N 3.08Å; V99-Y103 HydrophobicContact CG2-CD1 4.09Å; V99-Y103 HydrophobicContact CG2-CE1 3.51Å; V99-Y103 HydrophobicContact CG2-CE2 4.11Å; V99-Y103 WeakPolarHBondContact O-CD1 3.31Å; V99-Y103 PolarHBondContact O-N 3.21Å; V99-N228 WeakPolarHBondContact CG2-ND2 3.38Å
100A86.6Confident91.9Very high46 Ų4646.6 Ų46.638%0.3824%0.235SC..Hα-helixtrans-59.1-39.7174.500000112.7N98 V102 Y103 D104N98-A100 PolarHBondContact O-N 3.06Å; A100-V102 VanDerWaalsContact C-N 3.33Å; A100-V102 PolarHBondContact O-N 2.87Å; A100-Y103 PolarHBondContact O-N 2.72Å; A100-D104 PolarHBondContact O-N 2.93Å
101W92.4Very high92Very high9 Ų946.9 Ų46.93%0.03424%0.237CC..Hα-helixtrans-66.4-35175-172.699.8000112.3P50 F52 A54 Y57 L94 N97 N98 V99 Y103 F105P50-W101 VanDerWaalsContact CG-CD1 3.43Å; P50-W101 HydrophobicContact CG-CG 4.17Å; F52-W101 PolarHBondContact O-NE1 2.96Å; A54-W101 HydrophobicContact CB-CD2 4.13Å; A54-W101 HydrophobicContact CB-CG 4.47Å; A54-W101 HydrophobicContact CB-CZ2 4.1Å; Y57-W101 HydrophobicContact CD2-CH2 4.12Å; Y57-W101 AromaticContact CD2-CZ2 3.51Å; Y57-W101 HydrophobicContact CD2-CZ2 3.51Å; Y57-W101 AromaticContact CE2-CZ2 3.85Å; Y57-W101 HydrophobicContact CE2-CZ2 3.85Å; Y57-W101 HydrophobicContact CG-CH2 4.48Å; Y57-W101 HydrophobicContact CG-CZ2 4.28Å; L94-W101 HydrophobicContact CD2-CZ3 3.9Å; L94-W101 HydrophobicContact CG-CZ3 4.04Å; N97-W101 HydrophobicContact CB-CB 3.81Å; N97-W101 HydrophobicContact CB-CD2 4.12Å; N97-W101 HydrophobicContact CB-CE3 4.38Å; N97-W101 HydrophobicContact CB-CG 3.87Å; N97-W101 VanDerWaalsContact ND2-CD2 3.26Å; N97-W101 VanDerWaalsContact ND2-CE2 3.29Å; N97-W101 PolarHBondContact ND2-NE1 2.85Å; N98-W101 WeakPolarHBondContact O-CB 3.37Å; N98-W101 PolarHBondContact O-N 3.47Å; N98-W101 WeakPolarHBondContact OD1-CB 3.35Å; N98-W101 PolarHBondContact OD1-N 2.93Å; V99-W101 VanDerWaalsContact C-N 3.33Å; V99-W101 PolarHBondContact O-N 3.04Å; W101-Y103 VanDerWaalsContact C-N 3.33Å; W101-F105 HydrophobicContact CE3-CB 4.37Å; W101-F105 HydrophobicContact CH2-CD2 4.09Å; W101-F105 HydrophobicContact CZ3-CB 4.06Å; W101-F105 HydrophobicContact CZ3-CD2 4.27Å; W101-F105 HydrophobicContact CZ3-CG 4.33Å; W101-F105 WeakPolarHBondContact O-CB 3.34Å; W101-F105 PolarHBondContact O-N 2.88Å
102V92.1Very high92.1Very high7 Ų750.3 Ų50.34%0.04225%0.253CS..Hα-helixtrans-66.7-38.4174.1-175.70000110.3L94 N98 V99 A100 F105 L106 L225 N228L94-V102 HydrophobicContact CD2-CG1 4.08Å; L94-V102 HydrophobicContact CD2-CG2 4.48Å; N98-V102 PolarHBondContact O-N 3.31Å; V99-V102 WeakPolarHBondContact O-CB 3.48Å; V99-V102 PolarHBondContact O-N 3.26Å; V99-V102 VanDerWaalsContact O-N 3.08Å; A100-V102 VanDerWaalsContact C-N 3.33Å; A100-V102 PolarHBondContact O-N 2.87Å; V102-F105 WeakPolarHBondContact O-CB 3.42Å; V102-F105 PolarHBondContact O-N 3.46Å; V102-L106 HydrophobicContact CG1-CD1 4.36Å; V102-L106 WeakPolarHBondContact O-CG 3.45Å; V102-L106 PolarHBondContact O-N 3.12Å; V102-L225 HydrophobicContact CG1-CD2 4.33Å; V102-N228 HydrophobicContact CG1-CB 4.35Å
103Y94.4Very high92.4Very high75 Ų7547.3 Ų47.329%0.29424%0.238SC..Hα-helixtrans-66.1-47.8175.1-69.62.1000111.2V99 A100 W101 F105 L106 D107 R230V99-Y103 HydrophobicContact CG2-CD1 4.09Å; V99-Y103 HydrophobicContact CG2-CE1 3.51Å; V99-Y103 HydrophobicContact CG2-CE2 4.11Å; V99-Y103 WeakPolarHBondContact O-CD1 3.31Å; V99-Y103 PolarHBondContact O-N 3.21Å; A100-Y103 PolarHBondContact O-N 2.72Å; W101-Y103 VanDerWaalsContact C-N 3.33Å; Y103-F105 PolarHBondContact O-N 3.29Å; Y103-L106 WeakPolarHBondContact O-CB 3.37Å; Y103-L106 PolarHBondContact O-N 2.96Å; Y103-D107 WeakPolarHBondContact O-CB 3.17Å; Y103-D107 PolarHBondContact O-N 2.87Å; Y103-D107 VanDerWaalsContact O-OD2 3.05Å; Y103-R230 HydrophobicContact CD1-CB 4.02Å; Y103-R230 HydrophobicContact CD1-CG 4.38Å; Y103-R230 HydrophobicContact CE1-CB 3.41Å; Y103-R230 VanDerWaalsContact CE1-CB 3.41Å; Y103-R230 HydrophobicContact CE1-CG 4.16Å
104D94.4Very high92.7Very high92 Ų9246.9 Ų46.949%0.49224%0.235SC..Hα-helixtrans-55.8-38171.7-74.5-15.2000112A54 A100 Q108A54-D104 HydrophobicContact CB-CB 3.7Å; A100-D104 PolarHBondContact O-N 2.93Å; D104-Q108 WeakPolarHBondContact O-CB 3.46Å; D104-Q108 WeakPolarHBondContact O-CG 3.33Å; D104-Q108 PolarHBondContact O-N 3.28Å; D104-Q108 VanDerWaalsContact O-N 3.14Å
105F96.8Very high92.9Very high0 Ų046.7 Ų46.70%023%0.234CC..Hα-helixtrans-64.7-42.8176.2178.8-90.8000111.9A54 V58 I61 T90 L94 W101 V102 Y103 G110 L225A54-F105 HydrophobicContact CB-CB 3.89Å; V58-F105 HydrophobicContact CG2-CD2 3.55Å; V58-F105 HydrophobicContact CG2-CE2 3.64Å; V58-F105 HydrophobicContact CG2-CG 4.25Å; V58-F105 HydrophobicContact CG2-CZ 4.41Å; I61-F105 HydrophobicContact CD1-CE2 4.01Å; I61-F105 HydrophobicContact CD1-CZ 4.13Å; T90-F105 HydrophobicContact CG2-CE2 3.7Å; T90-F105 HydrophobicContact CG2-CZ 3.91Å; L94-F105 HydrophobicContact CD1-CE1 4.41Å; L94-F105 HydrophobicContact CD2-CB 4.42Å; L94-F105 HydrophobicContact CD2-CD1 3.75Å; L94-F105 HydrophobicContact CD2-CE1 4.14Å; L94-F105 HydrophobicContact CD2-CG 4.03Å; W101-F105 HydrophobicContact CE3-CB 4.37Å; W101-F105 HydrophobicContact CH2-CD2 4.09Å; W101-F105 HydrophobicContact CZ3-CB 4.06Å; W101-F105 HydrophobicContact CZ3-CD2 4.27Å; W101-F105 HydrophobicContact CZ3-CG 4.33Å; W101-F105 WeakPolarHBondContact O-CB 3.34Å; W101-F105 PolarHBondContact O-N 2.88Å; V102-F105 WeakPolarHBondContact O-CB 3.42Å; V102-F105 PolarHBondContact O-N 3.46Å; Y103-F105 PolarHBondContact O-N 3.29Å; F105-G110 VanDerWaalsContact CE1-C 3.4Å; F105-G110 WeakPolarHBondContact O-CA 3.41Å; F105-G110 PolarHBondContact O-N 3.1Å; F105-L225 HydrophobicContact CD1-CD2 4.39Å; F105-L225 HydrophobicContact CE1-CD1 4.42Å; F105-L225 HydrophobicContact CE1-CD2 4.45Å
106L96.5Very high93.1Very high4 Ų442.3 Ų42.32%0.02122%0.223CC..Hα-helixtrans-67.5-45.2177.2-71.6169.5000111.9V102 Y103 Q108 E109 L111 L225 R230 M234V102-L106 HydrophobicContact CG1-CD1 4.36Å; V102-L106 WeakPolarHBondContact O-CG 3.45Å; V102-L106 PolarHBondContact O-N 3.12Å; Y103-L106 WeakPolarHBondContact O-CB 3.37Å; Y103-L106 PolarHBondContact O-N 2.96Å; L106-Q108 VanDerWaalsContact C-N 3.27Å; L106-Q108 PolarHBondContact O-N 3.38Å; L106-E109 PolarHBondContact O-N 2.88Å; L106-L111 HydrophobicContact CD2-CB 4.04Å; L106-L225 HydrophobicContact CD2-CD2 4Å; L106-L225 HydrophobicContact CG-CD2 4.45Å; L106-R230 HydrophobicContact CD1-CB 4.22Å; L106-R230 HydrophobicContact CD1-CG 4.06Å; L106-M234 HydrophobicContact CB-CE 4.1Å; L106-M234 HydrophobicContact CB-SD 3.78Å; L106-M234 HydrophobicContact CD1-SD 3.94Å; L106-M234 HydrophobicContact CD2-CE 4.2Å; L106-M234 HydrophobicContact CD2-SD 3.96Å; L106-M234 HydrophobicContact CG-SD 4.11Å
107D95.7Very high93.5Very high91 Ų9139.5 Ų39.549%0.48721%0.205SC..Hα-helixtrans-64.6-27.3-179.9-74.7-48.4000113.3Y103 E109 R230Y103-D107 WeakPolarHBondContact O-CB 3.17Å; Y103-D107 PolarHBondContact O-N 2.87Å; Y103-D107 VanDerWaalsContact O-OD2 3.05Å; D107-E109 PolarHBondContact O-N 2.76Å; D107-R230 IonicContact OD1-CZ 3.61Å; D107-R230 IonicContact OD1-NH1 3.58Å; D107-R230 PolarHBondContact OD1-NH1 3.2Å; D107-R230 IonicContact OD1-NH2 3.97Å; D107-R230 PolarHBondContact OD1-NH2 2.96Å; D107-R230 IonicContact OD2-CZ 2.92Å; D107-R230 IonicContact OD2-NH1 3.41Å; D107-R230 PolarHBondContact OD2-NH1 3.16Å; D107-R230 IonicContact OD2-NH2 3.33Å
108Q95.3Very high94Very high84 Ų8438.1 Ų38.139%0.39320%0.198SC..THydrogen-bonded Turntrans-85.114174.4-62.1-62.6-36.100113.7F55 V58 K62 D104 L106F55-Q108 HydrophobicContact CB-CG 4.27Å; F55-Q108 HydrophobicContact CD2-CG 4.29Å; V58-Q108 HydrophobicContact CB-CB 4.48Å; V58-Q108 WeakPolarHBondContact CG1-O 3.45Å; V58-Q108 HydrophobicContact CG2-CB 4.19Å; K62-Q108 PolarHBondContact NZ-O 2.75Å; D104-Q108 WeakPolarHBondContact O-CB 3.46Å; D104-Q108 WeakPolarHBondContact O-CG 3.33Å; D104-Q108 PolarHBondContact O-N 3.28Å; D104-Q108 VanDerWaalsContact O-N 3.14Å; L106-Q108 VanDerWaalsContact C-N 3.27Å; L106-Q108 PolarHBondContact O-N 3.38Å
109E96.1Very high94.6Very high114 Ų11436.5 Ų36.553%0.53319%0.191SC..THydrogen-bonded Turntrans65.434.8-175.1-42.8168.8155.400113.5K62 L106 D107 L111 E112 A113K62-E109 IonicContact NZ-OE2 2.68Å; K62-E109 PolarHBondContact NZ-OE2 3.41Å; L106-E109 PolarHBondContact O-N 2.88Å; D107-E109 PolarHBondContact O-N 2.76Å; E109-L111 VanDerWaalsContact C-N 3.31Å; E109-L111 PolarHBondContact O-N 2.82Å; E109-E112 HydrophobicContact CB-CB 4.04Å; E109-E112 PolarHBondContact O-N 3.41Å; E109-A113 PolarHBondContact O-N 2.82Å
110G96.8Very high94.9Very high0 Ų039.3 Ų39.30%020%0.197CC..Hα-helixtrans-64.2-33.1-18000000114V58 F105 L114V58-G110 VanDerWaalsContact CG2-CA 3.48Å; F105-G110 VanDerWaalsContact CE1-C 3.4Å; F105-G110 WeakPolarHBondContact O-CA 3.41Å; F105-G110 PolarHBondContact O-N 3.1Å; G110-L114 WeakPolarHBondContact O-CB 3.41Å; G110-L114 PolarHBondContact O-N 3.28Å
111L97.4Very high95Very high6 Ų637.1 Ų37.13%0.03118%0.179CC..Hα-helixtrans-64.4-49.4172.6174.960.2000111.4L106 E109 A113 L114 V115 F222 L225 M234 V235 H238L106-L111 HydrophobicContact CD2-CB 4.04Å; E109-L111 VanDerWaalsContact C-N 3.31Å; E109-L111 PolarHBondContact O-N 2.82Å; L111-A113 VanDerWaalsContact C-N 3.31Å; L111-A113 PolarHBondContact O-N 2.93Å; L111-L114 WeakPolarHBondContact O-CB 3.5Å; L111-L114 PolarHBondContact O-N 3.15Å; L111-L114 VanDerWaalsContact O-N 3.14Å; L111-V115 HydrophobicContact CD1-CG2 3.92Å; L111-V115 HydrophobicContact CG-CG2 4.39Å; L111-V115 WeakPolarHBondContact O-CG2 3.43Å; L111-V115 PolarHBondContact O-N 3.4Å; L111-F222 HydrophobicContact CD1-CD1 4.41Å; L111-F222 HydrophobicContact CD1-CE1 3.9Å; L111-L225 HydrophobicContact CD1-CD1 4.01Å; L111-M234 HydrophobicContact CD2-CB 3.82Å; L111-M234 WeakPolarHBondContact CD2-O 3.46Å; L111-V235 HydrophobicContact CD1-CG2 3.75Å; L111-V235 HydrophobicContact CD2-CG2 4.08Å; L111-H238 HydrophobicContact CD2-CB 4.2Å
112E97.1Very high94.9Very high82 Ų8236.7 Ų36.738%0.38318%0.177SC..Hα-helixtrans-57.1-44.5176.5-177.263.9-146.500111.1E109 L114 V115 N116 H238E109-E112 HydrophobicContact CB-CB 4.04Å; E109-E112 PolarHBondContact O-N 3.41Å; E112-L114 VanDerWaalsContact C-N 3.35Å; E112-L114 PolarHBondContact O-N 3.06Å; E112-V115 PolarHBondContact O-N 3.36Å; E112-N116 VanDerWaalsContact O-CB 3.32Å; E112-N116 WeakPolarHBondContact O-CB 3.21Å; E112-N116 PolarHBondContact O-N 3.29Å; E112-N116 PolarHBondContact O-ND2 3.17Å; E112-N116 PolarHBondContact OE1-ND2 3.43Å; E112-H238 IonicContact OE2-CD2 3.93Å; E112-H238 IonicContact OE2-NE2 2.74Å; E112-H238 PolarHBondContact OE2-NE2 3.2Å; E112-H238 VanDerWaalsContact OE2-NE2 3.15Å
113A96.2Very high94.7Very high5 Ų539.5 Ų39.54%0.04119%0.19CC..Hα-helixtrans-61.3-41.9176.700000112.5V58 I61 K62 E109 L111 Y117V58-A113 HydrophobicContact CG1-CB 3.99Å; I61-A113 HydrophobicContact CB-CB 4.25Å; I61-A113 HydrophobicContact CG2-CB 3.8Å; I61-A113 WeakPolarHBondContact CG2-O 3.34Å; K62-A113 HydrophobicContact CD-CB 4.46Å; K62-A113 HydrophobicContact CG-CB 3.66Å; E109-A113 PolarHBondContact O-N 2.82Å; L111-A113 VanDerWaalsContact C-N 3.31Å; L111-A113 PolarHBondContact O-N 2.93Å; A113-Y117 WeakPolarHBondContact O-CB 3.27Å; A113-Y117 PolarHBondContact O-N 3.27Å
114L96.8Very high94.1Very high0 Ų037.1 Ų37.10%018%0.181CC..Hα-helixtrans-66.3-50.1177.5-179.566.8000111.6L87 G110 L111 E112 N116 Y117 V118 C221 F222 L225L87-L114 HydrophobicContact CD2-CD1 3.93Å; G110-L114 WeakPolarHBondContact O-CB 3.41Å; G110-L114 PolarHBondContact O-N 3.28Å; L111-L114 WeakPolarHBondContact O-CB 3.5Å; L111-L114 PolarHBondContact O-N 3.15Å; L111-L114 VanDerWaalsContact O-N 3.14Å; E112-L114 VanDerWaalsContact C-N 3.35Å; E112-L114 PolarHBondContact O-N 3.06Å; L114-N116 PolarHBondContact O-N 3.26Å; L114-Y117 PolarHBondContact O-N 3.13Å; L114-V118 HydrophobicContact CD1-CG2 4.19Å; L114-V118 WeakPolarHBondContact O-CG2 3.29Å; L114-V118 PolarHBondContact O-N 3.39Å; L114-C221 HydrophobicContact CD1-CB 3.81Å; L114-C221 HydrophobicContact CD2-CB 3.52Å; L114-C221 HydrophobicContact CG-CB 4.34Å; L114-F222 HydrophobicContact CD2-CD1 3.74Å; L114-F222 HydrophobicContact CD2-CD2 4.42Å; L114-F222 HydrophobicContact CD2-CE1 3.67Å; L114-F222 HydrophobicContact CD2-CE2 4.37Å; L114-F222 HydrophobicContact CD2-CG 4.12Å; L114-F222 HydrophobicContact CD2-CZ 4Å; L114-F222 HydrophobicContact CG-CE1 4.06Å; L114-F222 HydrophobicContact CG-CE2 4.3Å; L114-F222 HydrophobicContact CG-CZ 3.91Å; L114-L225 HydrophobicContact CD2-CD1 3.91Å
115V97.1Very high93.4Very high5 Ų533 Ų333%0.0316%0.159CC..Hα-helixtrans-59.4-46.6178.7178.40000110.5L111 E112 Y117 V118 S119 F222 A241 V244L111-V115 HydrophobicContact CD1-CG2 3.92Å; L111-V115 HydrophobicContact CG-CG2 4.39Å; L111-V115 WeakPolarHBondContact O-CG2 3.43Å; L111-V115 PolarHBondContact O-N 3.4Å; E112-V115 PolarHBondContact O-N 3.36Å; V115-Y117 VanDerWaalsContact C-N 3.35Å; V115-Y117 PolarHBondContact O-N 3.21Å; V115-V118 PolarHBondContact O-N 3.47Å; V115-S119 WeakPolarHBondContact O-CB 3.44Å; V115-S119 PolarHBondContact O-N 3.45Å; V115-F222 HydrophobicContact CB-CZ 4.45Å; V115-F222 HydrophobicContact CG2-CE1 3.73Å; V115-F222 HydrophobicContact CG2-CZ 3.71Å; V115-A241 HydrophobicContact CG2-CB 4.08Å; V115-V244 HydrophobicContact CG1-CB 4.29Å; V115-V244 HydrophobicContact CG1-CG1 4.45Å; V115-V244 HydrophobicContact CG1-CG2 3.99Å
116N95.3Very high92.7Very high67 Ų6733.9 Ų33.936%0.35816%0.164SC..Hα-helixtrans-62.7-37.1177-81.7-62.3000113.3E112 L114 R120E112-N116 VanDerWaalsContact O-CB 3.32Å; E112-N116 WeakPolarHBondContact O-CB 3.21Å; E112-N116 PolarHBondContact O-N 3.29Å; E112-N116 PolarHBondContact O-ND2 3.17Å; E112-N116 PolarHBondContact OE1-ND2 3.43Å; L114-N116 PolarHBondContact O-N 3.26Å; N116-R120 WeakPolarHBondContact O-CB 3.41Å; N116-R120 VanDerWaalsContact O-CG 3.23Å; N116-R120 WeakPolarHBondContact O-CG 3.24Å; N116-R120 PolarHBondContact O-N 3.04Å; N116-R120 PolarHBondContact O-NE 3.32Å
117Y94.8Very high91.7Very high7 Ų738.3 Ų38.33%0.02720%0.195CC..Hα-helixtrans-66.2-52.9174.2178.2-94.2000111.2L64 V66 A83 L87 A113 L114 V115 S119 R120 V121 S214L64-Y117 HydrophobicContact CB-CD2 3.64Å; L64-Y117 HydrophobicContact CB-CE2 3.73Å; L64-Y117 HydrophobicContact CD1-CD2 3.69Å; L64-Y117 HydrophobicContact CD1-CE2 3.67Å; L64-Y117 HydrophobicContact CD1-CG 4.22Å; L64-Y117 HydrophobicContact CG-CD2 4.32Å; L64-Y117 HydrophobicContact CG-CE2 4.3Å; V66-Y117 HydrophobicContact CG2-CD2 4.1Å; V66-Y117 HydrophobicContact CG2-CE2 3.61Å; A83-Y117 HydrophobicContact CB-CE2 4.32Å; A83-Y117 WeakPolarHBondContact CB-OH 3.18Å; L87-Y117 HydrophobicContact CD1-CD1 3.75Å; L87-Y117 HydrophobicContact CD1-CE1 3.45Å; L87-Y117 VanDerWaalsContact CD1-CE1 3.45Å; A113-Y117 WeakPolarHBondContact O-CB 3.27Å; A113-Y117 PolarHBondContact O-N 3.27Å; L114-Y117 PolarHBondContact O-N 3.13Å; V115-Y117 VanDerWaalsContact C-N 3.35Å; V115-Y117 PolarHBondContact O-N 3.21Å; Y117-S119 PolarHBondContact O-N 2.85Å; Y117-R120 PolarHBondContact O-N 2.91Å; Y117-V121 HydrophobicContact CD1-CG2 4.24Å; Y117-V121 HydrophobicContact CE1-CG2 3.65Å; Y117-V121 HydrophobicContact CE2-CG2 3.96Å; Y117-V121 VanDerWaalsContact CZ-CG2 3.49Å; Y117-V121 WeakPolarHBondContact O-CG2 3.32Å; Y117-V121 PolarHBondContact O-N 2.99Å; Y117-S214 WeakPolarHBondContact OH-CB 3.46Å; Y117-S214 PolarHBondContact OH-OG 3.28Å
118V95.2Very high90.4Very high0 Ų037 Ų370%019%0.188CC..Hα-helixtrans-62.6-43.7-176.21750000111.3L114 V115 V121 I122 L215 F222 V244 C248L114-V118 HydrophobicContact CD1-CG2 4.19Å; L114-V118 WeakPolarHBondContact O-CG2 3.29Å; L114-V118 PolarHBondContact O-N 3.39Å; V115-V118 PolarHBondContact O-N 3.47Å; V118-V121 PolarHBondContact O-N 2.81Å; V118-I122 PolarHBondContact O-N 2.89Å; V118-L215 HydrophobicContact CG1-CD1 3.7Å; V118-F222 HydrophobicContact CB-CE2 4.19Å; V118-F222 HydrophobicContact CG1-CE2 4.18Å; V118-F222 HydrophobicContact CG2-CE2 3.97Å; V118-V244 HydrophobicContact CB-CG1 3.92Å; V118-V244 HydrophobicContact CG1-CG1 3.53Å; V118-C248 VanDerWaalsContact CG1-SG 3.53Å
119S94.1Very high89Confident27 Ų2735.1 Ų35.119%0.18918%0.178CC..Hα-helixtrans-55.9-52.3173.41730000111.8V115 Y117 V121 I122 H123V115-S119 WeakPolarHBondContact O-CB 3.44Å; V115-S119 PolarHBondContact O-N 3.45Å; Y117-S119 PolarHBondContact O-N 2.85Å; S119-V121 VanDerWaalsContact C-N 3.29Å; S119-V121 PolarHBondContact O-N 3.22Å; S119-I122 WeakPolarHBondContact O-CG2 3.33Å; S119-I122 PolarHBondContact O-N 3.15Å; S119-H123 PolarHBondContact O-CD2 2.77Å; S119-H123 PolarHBondContact O-N 3.27Å; S119-H123 PolarHBondContact OG-CD2 3.2Å; S119-H123 VanDerWaalsContact OG-CD2 3.28Å; S119-H123 PolarHBondContact OG-NE2 3.43Å
120R91.1Very high87Confident105 Ų10540 Ų4040%0.39619%0.192SC..Hα-helixtrans-59.8-37.7178.9-74.4177.9-65.5165.73.5112.6N116 Y117 M124N116-R120 WeakPolarHBondContact O-CB 3.41Å; N116-R120 VanDerWaalsContact O-CG 3.23Å; N116-R120 WeakPolarHBondContact O-CG 3.24Å; N116-R120 PolarHBondContact O-N 3.04Å; N116-R120 PolarHBondContact O-NE 3.32Å; Y117-R120 PolarHBondContact O-N 2.91Å; R120-M124 WeakPolarHBondContact O-CB 3.38Å; R120-M124 PolarHBondContact O-N 2.84Å
121V89.6Confident85Confident0 Ų042.5 Ų42.50%020%0.203CC..Hα-helixtrans-69-47.4175.21780000111.3V66 Y117 V118 S119 M124 V125 I211 L215V66-V121 HydrophobicContact CG1-CG2 4.28Å; V66-V121 HydrophobicContact CG2-CG2 3.7Å; Y117-V121 HydrophobicContact CD1-CG2 4.24Å; Y117-V121 HydrophobicContact CE1-CG2 3.65Å; Y117-V121 HydrophobicContact CE2-CG2 3.96Å; Y117-V121 VanDerWaalsContact CZ-CG2 3.49Å; Y117-V121 WeakPolarHBondContact O-CG2 3.32Å; Y117-V121 PolarHBondContact O-N 2.99Å; V118-V121 PolarHBondContact O-N 2.81Å; S119-V121 VanDerWaalsContact C-N 3.29Å; S119-V121 PolarHBondContact O-N 3.22Å; V121-M124 WeakPolarHBondContact O-CB 3.25Å; V121-M124 PolarHBondContact O-N 3Å; V121-V125 HydrophobicContact CG1-CG2 4.45Å; V121-V125 WeakPolarHBondContact O-CG2 3.44Å; V121-V125 PolarHBondContact O-N 3.28Å; V121-I211 HydrophobicContact CG1-CG2 3.73Å; V121-L215 HydrophobicContact CG1-CB 4.13Å; V121-L215 HydrophobicContact CG1-CD1 4.47Å; V121-L215 HydrophobicContact CG1-CD2 4.12Å; V121-L215 HydrophobicContact CG1-CG 4.48Å
122I90Very high82.7Confident0 Ų050.7 Ų50.70%023%0.233CC..Hα-helixtrans-68.2-40.7-175.4-15869000112V118 S119 M124 V125 M126 L215 L247 L250V118-I122 PolarHBondContact O-N 2.89Å; S119-I122 WeakPolarHBondContact O-CG2 3.33Å; S119-I122 PolarHBondContact O-N 3.15Å; I122-M124 VanDerWaalsContact C-N 3.29Å; I122-M124 PolarHBondContact O-N 2.74Å; I122-V125 CarbonylContact O-C 3.58Å; I122-V125 WeakPolarHBondContact O-CA 3.33Å; I122-V125 WeakPolarHBondContact O-CB 3.47Å; I122-V125 PolarHBondContact O-N 3.18Å; I122-V125 VanDerWaalsContact O-N 3.08Å; I122-M126 VanDerWaalsContact O-CG 3.3Å; I122-M126 WeakPolarHBondContact O-CG 3.39Å; I122-M126 PolarHBondContact O-N 3.17Å; I122-L215 HydrophobicContact CD1-CD2 3.64Å; I122-L247 WeakPolarHBondContact CD1-O 3.3Å; I122-L247 HydrophobicContact CG1-CB 4.05Å; I122-L247 WeakPolarHBondContact CG1-O 3.41Å; I122-L247 HydrophobicContact CG2-CB 4.01Å; I122-L247 HydrophobicContact CG2-CD1 4.31Å; I122-L250 HydrophobicContact CD1-CB 4.24Å
123H88.2Confident80.1Confident66 Ų6654.5 Ų54.531%0.30625%0.248SC..Hα-helixtrans-65.9-30.1173.7-67.4-70.1000112.4S119 M126 S127 E287S119-H123 PolarHBondContact O-CD2 2.77Å; S119-H123 PolarHBondContact O-N 3.27Å; S119-H123 PolarHBondContact OG-CD2 3.2Å; S119-H123 VanDerWaalsContact OG-CD2 3.28Å; S119-H123 PolarHBondContact OG-NE2 3.43Å; H123-M126 PolarHBondContact O-N 3.2Å; H123-S127 WeakPolarHBondContact O-CB 3.47Å; H123-S127 PolarHBondContact O-N 3.39Å; H123-E287 IonicContact CE1-OE2 3.79Å; H123-E287 PolarHBondContact CE1-OE2 2.96Å; H123-E287 VanDerWaalsContact CE1-OE2 3.3Å; H123-E287 IonicContact ND1-OE2 2.72Å
124M82.8Confident77.5Confident25 Ų2554.7 Ų54.712%0.12325%0.25CC..Hα-helixtrans-66.7-41.8169.6-179.7-175.866.100111.8V66 L71 R120 V121 I122 M126 S127 L128 I211V66-M124 HydrophobicContact CG1-CE 3.54Å; V66-M124 HydrophobicContact CG1-SD 3.51Å; V66-M124 VanDerWaalsContact CG1-SD 3.51Å; L71-M124 HydrophobicContact CD1-CG 4Å; L71-M124 HydrophobicContact CD1-SD 3.88Å; L71-M124 HydrophobicContact CD2-CE 4.06Å; L71-M124 HydrophobicContact CD2-CG 4.39Å; L71-M124 HydrophobicContact CD2-SD 3.82Å; L71-M124 HydrophobicContact CG-SD 3.99Å; R120-M124 WeakPolarHBondContact O-CB 3.38Å; R120-M124 PolarHBondContact O-N 2.84Å; V121-M124 WeakPolarHBondContact O-CB 3.25Å; V121-M124 PolarHBondContact O-N 3Å; I122-M124 VanDerWaalsContact C-N 3.29Å; I122-M124 PolarHBondContact O-N 2.74Å; M124-M126 VanDerWaalsContact C-N 3.29Å; M124-M126 PolarHBondContact O-N 2.84Å; M124-S127 PolarHBondContact O-N 2.93Å; M124-L128 WeakPolarHBondContact O-CG 3.4Å; M124-L128 PolarHBondContact O-N 3.43Å; M124-I211 HydrophobicContact CE-CD1 4.14Å; M124-I211 HydrophobicContact CE-CG2 3.9Å
125V79.7Confident74.7Confident4 Ų458.1 Ų58.12%0.02427%0.274CS..Hα-helixtrans-60.7-40.2172.8170.80000110.9V121 I122 L128 K129 I207V121-V125 HydrophobicContact CG1-CG2 4.45Å; V121-V125 WeakPolarHBondContact O-CG2 3.44Å; V121-V125 PolarHBondContact O-N 3.28Å; I122-V125 CarbonylContact O-C 3.58Å; I122-V125 WeakPolarHBondContact O-CA 3.33Å; I122-V125 WeakPolarHBondContact O-CB 3.47Å; I122-V125 PolarHBondContact O-N 3.18Å; I122-V125 VanDerWaalsContact O-N 3.08Å; V125-L128 PolarHBondContact O-N 3.31Å; V125-K129 HydrophobicContact CG1-CD 4.35Å; V125-K129 PolarHBondContact O-N 2.84Å; V125-I207 HydrophobicContact CB-CD1 4.15Å; V125-I207 HydrophobicContact CG1-CD1 3.79Å; V125-I207 HydrophobicContact CG2-CD1 3.8Å
126M81.3Confident72.1Confident19 Ų1961.7 Ų61.79%0.09430%0.295CS..Hα-helixtrans-65.5-47.4176.4-68.617166.700112.1I122 H123 M124 L128 K129 F131 L247 L250 E287 V288I122-M126 VanDerWaalsContact O-CG 3.3Å; I122-M126 WeakPolarHBondContact O-CG 3.39Å; I122-M126 PolarHBondContact O-N 3.17Å; H123-M126 PolarHBondContact O-N 3.2Å; M124-M126 VanDerWaalsContact C-N 3.29Å; M124-M126 PolarHBondContact O-N 2.84Å; M126-L128 PolarHBondContact O-N 3.42Å; M126-K129 CarbonylContact O-C 3.59Å; M126-K129 PolarHBondContact O-N 3.11Å; M126-F131 HydrophobicContact CB-CE2 4.05Å; M126-F131 HydrophobicContact CG-CE2 3.96Å; M126-F131 HydrophobicContact CG-CZ 4.46Å; M126-L247 HydrophobicContact CE-CD2 4.42Å; M126-L247 HydrophobicContact SD-CD2 4.07Å; M126-L250 HydrophobicContact CE-CD1 4.36Å; M126-L250 HydrophobicContact CG-CD1 3.52Å; M126-L250 HydrophobicContact SD-CD1 3.8Å; M126-E287 HydrophobicContact CE-CB 4.08Å; M126-E287 WeakPolarHBondContact CE-O 3.25Å; M126-V288 HydrophobicContact CE-CG2 3.89Å
127S76.2Confident69.5Low97 Ų9762.7 Ų62.768%0.67830%0.3SS*.Hα-helixtrans-59.2-19.5176.9178.90000113.8H123 M124H123-S127 WeakPolarHBondContact O-CB 3.47Å; H123-S127 PolarHBondContact O-N 3.39Å; M124-S127 PolarHBondContact O-N 2.93Å
128L68.1Low66.4Low64 Ų6466.8 Ų66.834%0.33533%0.329SS..Hα-helixtrans-92.3-21.8175.3-71.2167.8000113.6L71 M124 V125 M126 I207L71-L128 HydrophobicContact CD1-CD1 3.86Å; L71-L128 HydrophobicContact CD1-CD2 4.18Å; L71-L128 HydrophobicContact CD1-CG 4.32Å; L71-L128 HydrophobicContact CD2-CD1 3.57Å; L71-L128 HydrophobicContact CG-CD1 4.28Å; M124-L128 WeakPolarHBondContact O-CG 3.4Å; M124-L128 PolarHBondContact O-N 3.43Å; V125-L128 PolarHBondContact O-N 3.31Å; M126-L128 PolarHBondContact O-N 3.42Å; L128-I207 HydrophobicContact CD1-CD1 4.41Å; L128-I207 HydrophobicContact CD1-CG1 3.73Å
129K65Low63.5Low44 Ų4472.1 Ų72.119%0.19136%0.362CS..SBendtrans-90.2115.7175.9-79.9-179172.4-171.80109.5V125 M126 F131 V204 L250V125-K129 HydrophobicContact CG1-CD 4.35Å; V125-K129 PolarHBondContact O-N 2.84Å; M126-K129 CarbonylContact O-C 3.59Å; M126-K129 PolarHBondContact O-N 3.11Å; K129-F131 HydrophobicContact CB-CD1 4.48Å; K129-F131 HydrophobicContact CB-CD2 3.92Å; K129-F131 HydrophobicContact CB-CE1 4.12Å; K129-F131 HydrophobicContact CB-CE2 3.53Å; K129-F131 HydrophobicContact CB-CG 4.39Å; K129-F131 HydrophobicContact CB-CZ 3.64Å; K129-F131 HydrophobicContact CD-CE1 3.72Å; K129-F131 HydrophobicContact CD-CE2 4.14Å; K129-F131 HydrophobicContact CD-CZ 3.37Å; K129-F131 HydrophobicContact CG-CE2 4.46Å; K129-F131 HydrophobicContact CG-CZ 4.13Å; K129-F131 PolarHBondContact O-N 3.26Å; K129-V204 HydrophobicContact CD-CG2 4.24Å; K129-V204 HydrophobicContact CG-CG2 3.53Å; K129-L250 PolarHBondContact NZ-O 3.04Å
130R54.1Low60.4Low217 Ų21778.2 Ų78.282%0.81939%0.393SS*.  trans-73.684.4158.2-78.7-175174.8166.8-2.2108.6R132R130-R132 PolarHBondContact O-N 3.43Å; R130-R132 VanDerWaalsContact O-N 3.17Å
131F55.3Low57.5Low53 Ų5382.5 Ų82.523%0.23242%0.415CS..  trans-58.8114.9160.5-61.6-72.1000107.6M126 K129 L250 V288 Y296M126-F131 HydrophobicContact CB-CE2 4.05Å; M126-F131 HydrophobicContact CG-CE2 3.96Å; M126-F131 HydrophobicContact CG-CZ 4.46Å; K129-F131 HydrophobicContact CB-CD1 4.48Å; K129-F131 HydrophobicContact CB-CD2 3.92Å; K129-F131 HydrophobicContact CB-CE1 4.12Å; K129-F131 HydrophobicContact CB-CE2 3.53Å; K129-F131 HydrophobicContact CB-CG 4.39Å; K129-F131 HydrophobicContact CB-CZ 3.64Å; K129-F131 HydrophobicContact CD-CE1 3.72Å; K129-F131 HydrophobicContact CD-CE2 4.14Å; K129-F131 HydrophobicContact CD-CZ 3.37Å; K129-F131 HydrophobicContact CG-CE2 4.46Å; K129-F131 HydrophobicContact CG-CZ 4.13Å; K129-F131 PolarHBondContact O-N 3.26Å; F131-L250 HydrophobicContact CE1-CD2 3.73Å; F131-L250 HydrophobicContact CE2-CD1 4.28Å; F131-L250 HydrophobicContact CZ-CD1 3.76Å; F131-L250 HydrophobicContact CZ-CD2 3.72Å; F131-L250 HydrophobicContact CZ-CG 4.22Å; F131-V288 HydrophobicContact CD1-CG1 3.9Å; F131-V288 HydrophobicContact CD2-CG1 4.03Å; F131-V288 HydrophobicContact CE1-CG1 4.04Å; F131-V288 HydrophobicContact CE2-CG1 4.14Å; F131-V288 HydrophobicContact CG-CG1 3.9Å; F131-V288 HydrophobicContact CZ-CG1 4.15Å; F131-Y296 HydrophobicContact CD1-CE1 4.44Å; F131-Y296 HydrophobicContact CD1-CE2 4.14Å; F131-Y296 AromaticContact CD1-CZ 3.9Å
132R49Very low54.6Low178 Ų17892.2 Ų92.267%0.67245%0.451SS*.  trans-97.5137.5168.7-76.9178.7164.1164.5-6.4106.6R130 C134 Y296R130-R132 PolarHBondContact O-N 3.43Å; R130-R132 VanDerWaalsContact O-N 3.17Å; R132-C134 PolarHBondContact O-N 3.27Å; R132-Y296 PolarHBondContact O-OH 2.79Å
133K43.4Very low51.9Low161 Ų16195.1 Ų95.170%0.747%0.47SS*.  trans-45127.2171.5-71.3-168.2170.4-165.90109.7S135K133-S135 VanDerWaalsContact C-N 3.31Å; K133-S135 PolarHBondContact O-N 3.38Å
134C41.2Very low49.2Very low10 Ų1095.5 Ų95.57%0.06848%0.477CS..  trans-80.579.8-176.6-126.20000109.1R132 V136 F199 E295R132-C134 PolarHBondContact O-N 3.27Å; C134-V136 PolarHBondContact O-N 3.44Å; C134-F199 HydrophobicContact CB-CE1 4.2Å; C134-F199 WeakPolarHBondContact SG-CD1 3.26Å; C134-F199 WeakPolarHBondContact SG-CE1 3.35Å; C134-E295 WeakPolarHBondContact CA-OE1 3.44Å; C134-E295 HydrophobicContact CB-CG 4.18Å; C134-E295 WeakPolarHBondContact CB-OE1 3.31Å; C134-E295 PolarHBondContact N-OE1 3.19Å
135S38.4Very low47.1Very low72 Ų7299.3 Ų99.350%0.50350%0.502SS..THydrogen-bonded Turntrans-74.723.7-177.877.30000114.2K133K133-S135 VanDerWaalsContact C-N 3.31Å; K133-S135 PolarHBondContact O-N 3.38Å
136V41.5Very low45Very low79 Ų79103.1 Ų103.148%0.47952%0.522SS..THydrogen-bonded Turntrans-89-20.7-169.9-162.50000112.5C134 F199C134-V136 PolarHBondContact O-N 3.44Å; V136-F199 HydrophobicContact CG2-CB 4.23Å; V136-F199 HydrophobicContact CG2-CD1 4.06Å; V136-F199 HydrophobicContact CG2-CD2 3.14Å; V136-F199 HydrophobicContact CG2-CE1 4.21Å; V136-F199 HydrophobicContact CG2-CE2 3.3Å; V136-F199 HydrophobicContact CG2-CG 3.53Å; V136-F199 HydrophobicContact CG2-CZ 3.85Å
137L40.2Very low42.9Very low89 Ų89103.6 Ų103.647%0.46653%0.529SS..SBendtrans-96.88.4178.6-65.9168.2000112.7L346L137-L346 HydrophobicContact CD1-CD2 4.24Å
138S30.6Very low41.1Very low92 Ų92103.7 Ų103.764%0.64352%0.521SS*.  trans-115.454.7-171.3-49.30000113.3
139T33.5Very low39.7Very low113 Ų113105.1 Ų105.169%0.69353%0.526SS*.SBendtrans-138.2122.7166.146.20000110.9
140D29.7Very low38.4Very low155 Ų155109.7 Ų109.783%0.82955%0.548SS*.SBendtrans66.237.1160.1-54.1-19.9000119.4
141F29.7Very low37.8Very low194 Ų194105.8 Ų105.885%0.85154%0.539SS*.  trans-133.7131.4139.1-94.4-86.5000110.3P143F141-P143 HydrophobicContact CB-CG 4.38Å; F141-P143 WeakPolarHBondContact O-CD 3.48Å
142R28.4Very low37Very low205 Ų205108.3 Ų108.377%0.77455%0.547SS*.  trans-104.986.6162.9-176.6-177.1-169.5-104.41.3105T144 D146R142-T144 PolarHBondContact O-N 3.01Å; R142-D146 IonicContact NH1-OD2 3.92Å; R142-D146 PolarHBondContact NH1-OD2 2.8Å
143P33.5Very low36.6Very low60 Ų60103.8 Ų103.839%0.3954%0.542SS..  trans-77.286.6-176.42.816.4000107.1F141 V145F141-P143 HydrophobicContact CB-CG 4.38Å; F141-P143 WeakPolarHBondContact O-CD 3.48Å; P143-V145 VanDerWaalsContact C-N 3.34Å; P143-V145 PolarHBondContact O-N 3.34Å
144T32.7Very low36.6Very low75 Ų7599.5 Ų99.546%0.4654%0.537SS..  trans33.458.3140.126.60000117.2R142 D146 A147 I148R142-T144 PolarHBondContact O-N 3.01Å; T144-D146 PolarHBondContact O-N 3.3Å; T144-A147 VanDerWaalsContact CB-CB 3.43Å; T144-A147 HydrophobicContact CG2-CB 3.56Å; T144-A147 PolarHBondContact O-N 3.19Å; T144-I148 PolarHBondContact O-N 2.92Å
145V38.1Very low36.7Very low105 Ų105102.5 Ų102.564%0.63655%0.552SS**Hα-helixtrans-48.9-37147.81800000108.4P143 A147 I148 Q149P143-V145 VanDerWaalsContact C-N 3.34Å; P143-V145 PolarHBondContact O-N 3.34Å; V145-A147 PolarHBondContact O-N 3.15Å; V145-I148 PolarHBondContact O-N 3.32Å; V145-Q149 VanDerWaalsContact O-CB 3.32Å; V145-Q149 WeakPolarHBondContact O-CB 3.42Å; V145-Q149 PolarHBondContact O-N 3.14Å
146D34.5Very low36.9Very low83 Ų83103.9 Ų103.944%0.44455%0.553SS.*Hα-helixtrans-64.8-29.1173.2-58.9-48.1000114.8R142 T144 Q149 Q150R142-D146 IonicContact NH1-OD2 3.92Å; R142-D146 PolarHBondContact NH1-OD2 2.8Å; T144-D146 PolarHBondContact O-N 3.3Å; D146-Q149 WeakPolarHBondContact O-CB 3.38Å; D146-Q150 VanDerWaalsContact O-CG 3.31Å; D146-Q150 WeakPolarHBondContact O-CG 3.24Å; D146-Q150 PolarHBondContact O-N 2.74Å
147A38.6Very low36.8Very low29 Ų29103.3 Ų103.324%0.2456%0.563CS.*Hα-helixtrans-90.4-25.9173.900000113T144 V145 Q149 Q150 Q151T144-A147 VanDerWaalsContact CB-CB 3.43Å; T144-A147 HydrophobicContact CG2-CB 3.56Å; T144-A147 PolarHBondContact O-N 3.19Å; V145-A147 PolarHBondContact O-N 3.15Å; A147-Q149 PolarHBondContact O-N 2.87Å; A147-Q150 PolarHBondContact O-N 3.38Å; A147-Q151 WeakPolarHBondContact O-CB 3.47Å; A147-Q151 PolarHBondContact O-N 2.83Å
148I38.7Very low37.2Very low99 Ų99103.2 Ų103.251%0.50857%0.57SS.*Hα-helixtrans-63.6-34.4161.2-64.3173.5000109T144 V145 R152T144-I148 PolarHBondContact O-N 2.92Å; V145-I148 PolarHBondContact O-N 3.32Å; I148-R152 WeakPolarHBondContact O-CB 3.3Å; I148-R152 WeakPolarHBondContact O-CG 3.41Å; I148-R152 PolarHBondContact O-N 3.26Å
149Q38.5Very low37.4Very low94 Ų94102.3 Ų102.344%0.43956%0.558SS.*Hα-helixtrans-70.4-36.6172.1-145.880.8-24.200112.6V145 D146 A147 R152 S153V145-Q149 VanDerWaalsContact O-CB 3.32Å; V145-Q149 WeakPolarHBondContact O-CB 3.42Å; V145-Q149 PolarHBondContact O-N 3.14Å; D146-Q149 WeakPolarHBondContact O-CB 3.38Å; A147-Q149 PolarHBondContact O-N 2.87Å; Q149-R152 WeakPolarHBondContact O-CB 3.44Å; Q149-S153 WeakPolarHBondContact O-CB 3.47Å; Q149-S153 PolarHBondContact O-N 2.88Å; Q149-S153 PolarHBondContact O-OG 3.37Å
150Q37.9Very low37.8Very low140 Ų140101.2 Ų101.265%0.65456%0.555SS**Hα-helixtrans-75.2-36.7175.5-74.3172.5-10.800113D146 A147 S153 A154D146-Q150 VanDerWaalsContact O-CG 3.31Å; D146-Q150 WeakPolarHBondContact O-CG 3.24Å; D146-Q150 PolarHBondContact O-N 2.74Å; A147-Q150 PolarHBondContact O-N 3.38Å; Q150-S153 WeakPolarHBondContact O-CB 3.5Å; Q150-S153 PolarHBondContact O-N 3.3Å; Q150-A154 PolarHBondContact O-N 2.99Å
151Q39.9Very low38.7Very low135 Ų13598.2 Ų98.263%0.63155%0.546SS*.Hα-helixtrans-71.6-36170.1-75.5-174.5-48.300111.7A147 S153 A154 L155A147-Q151 WeakPolarHBondContact O-CB 3.47Å; A147-Q151 PolarHBondContact O-N 2.83Å; Q151-S153 PolarHBondContact O-N 3.38Å; Q151-A154 PolarHBondContact O-N 3.23Å; Q151-A154 VanDerWaalsContact O-N 3.13Å; Q151-L155 WeakPolarHBondContact O-CB 3.38Å; Q151-L155 WeakPolarHBondContact O-CG 3.43Å; Q151-L155 PolarHBondContact O-N 3.46Å
152R38.6Very low39.5Very low107 Ų10794 Ų9440%0.40453%0.532SS..Hα-helixtrans-53.4-44163.1-86.6168.9158.6180-8.7110.6I148 Q149 A154 L155 L156I148-R152 WeakPolarHBondContact O-CB 3.3Å; I148-R152 WeakPolarHBondContact O-CG 3.41Å; I148-R152 PolarHBondContact O-N 3.26Å; Q149-R152 WeakPolarHBondContact O-CB 3.44Å; R152-A154 VanDerWaalsContact C-N 3.3Å; R152-A154 PolarHBondContact O-N 3.47Å; R152-L155 PolarHBondContact O-N 3.11Å; R152-L156 HydrophobicContact CB-CD1 4.18Å; R152-L156 WeakPolarHBondContact O-CB 3.38Å; R152-L156 WeakPolarHBondContact O-CD1 3.37Å; R152-L156 WeakPolarHBondContact O-CG 3.48Å; R152-L156 PolarHBondContact O-N 3.22Å
153S41.6Very low40.3Very low83 Ų8390 Ų9058%0.5852%0.522SS*.Hα-helixtrans-66.2-30.1178.9-540000113.1Q149 Q150 Q151 G157Q149-S153 WeakPolarHBondContact O-CB 3.47Å; Q149-S153 PolarHBondContact O-N 2.88Å; Q149-S153 PolarHBondContact O-OG 3.37Å; Q150-S153 WeakPolarHBondContact O-CB 3.5Å; Q150-S153 PolarHBondContact O-N 3.3Å; Q151-S153 PolarHBondContact O-N 3.38Å; S153-G157 PolarHBondContact O-N 2.97Å
154A43.5Very low40.6Very low71 Ų7188.4 Ų88.459%0.58751%0.514SS*.Hα-helixtrans-77.8-39.3174.100000112.8Q150 Q151 R152 G157Q150-A154 PolarHBondContact O-N 2.99Å; Q151-A154 PolarHBondContact O-N 3.23Å; Q151-A154 VanDerWaalsContact O-N 3.13Å; R152-A154 VanDerWaalsContact C-N 3.3Å; R152-A154 PolarHBondContact O-N 3.47Å; A154-G157 PolarHBondContact O-N 3.11Å
155L42Very low41.2Very low73 Ų7388.2 Ų88.238%0.38251%0.512SS..Hα-helixtrans-77.3-37.8-179.2-70168.9000113Q151 R152 G157 L381Q151-L155 WeakPolarHBondContact O-CB 3.38Å; Q151-L155 WeakPolarHBondContact O-CG 3.43Å; Q151-L155 PolarHBondContact O-N 3.46Å; R152-L155 PolarHBondContact O-N 3.11Å; L155-G157 PolarHBondContact O-N 3.11Å; L155-L381 HydrophobicContact CD2-CD1 3.81Å; L155-L381 HydrophobicContact CD2-CD2 3.43Å; L155-L381 VanDerWaalsContact CD2-CD2 3.43Å; L155-L381 HydrophobicContact CD2-CG 4.28Å
156L43.4Very low41.4Very low100 Ų10086.7 Ų86.752%0.52451%0.506SS..THydrogen-bonded Turntrans-72.2-10.2171.1-64.8166.2000112.2R152 A164R152-L156 HydrophobicContact CB-CD1 4.18Å; R152-L156 WeakPolarHBondContact O-CB 3.38Å; R152-L156 WeakPolarHBondContact O-CD1 3.37Å; R152-L156 WeakPolarHBondContact O-CG 3.48Å; R152-L156 PolarHBondContact O-N 3.22Å; L156-A164 HydrophobicContact CD2-CB 3.77Å
157G40Very low41.5Very low67 Ų6787.3 Ų87.369%0.69151%0.509SS*.THydrogen-bonded Turntrans-79-15.6178.400000114.9S153 A154 L155S153-G157 PolarHBondContact O-N 2.97Å; A154-G157 PolarHBondContact O-N 3.11Å; L155-G157 PolarHBondContact O-N 3.11Å
158S47.4Very low41.5Very low88 Ų8888.7 Ų88.762%0.61551%0.514SS*.SBendtrans-1190.3-177.7620000114.5
159L35.8Very low41.5Very low73 Ų7388.7 Ų88.738%0.38252%0.516SS..SBendtrans-109.7129.9-175.4-75.5166.2000111.4
160S41.6Very low41.4Very low90 Ų9091.3 Ų91.363%0.62953%0.532SS*.  trans-57143.1171.5-55.70000111D162 Q163S160-D162 PolarHBondContact O-N 3.14Å; S160-Q163 PolarHBondContact O-N 3.48Å
161S48.1Very low41.3Very low92 Ų9288 Ų8864%0.64352%0.523SS*.Hα-helixtrans-48.1-33.8-169.149.30000115.5Q163 A164S161-Q163 VanDerWaalsContact C-N 3.32Å; S161-Q163 PolarHBondContact O-N 3.05Å; S161-A164 PolarHBondContact O-N 2.87Å
162D46.8Very low41.1Very low105 Ų10586.3 Ų86.356%0.56152%0.518SS*.Hα-helixtrans-76.8-17.5-172.2-55.9-15.6000113.3S160 M592S160-D162 PolarHBondContact O-N 3.14Å; D162-M592 HydrophobicContact CB-CE 4.25Å
163Q45.3Very low40.8Very low122 Ų12288.4 Ų88.457%0.5754%0.537SS*.Hα-helixtrans-88.2-18.8177.8-63.6-170.911.600113.3S160 S161S160-Q163 PolarHBondContact O-N 3.48Å; S161-Q163 VanDerWaalsContact C-N 3.32Å; S161-Q163 PolarHBondContact O-N 3.05Å
164A40.5Very low40.5Very low26 Ų2690.3 Ų90.322%0.21554%0.54CS..Hα-helixtrans-70.3-32.2-178.600000113.3L156 S161 I167L156-A164 HydrophobicContact CD2-CB 3.77Å; S161-A164 PolarHBondContact O-N 2.87Å; A164-I167 PolarHBondContact O-N 3.27Å
165V45.3Very low39.8Very low70 Ų7093.7 Ų93.742%0.42455%0.548SS..Hα-helixtrans-71.3-34.6-172.7-172.80000112.2I167 T168 D169V165-I167 PolarHBondContact O-N 3.36Å; V165-I167 VanDerWaalsContact O-N 3.13Å; V165-T168 PolarHBondContact O-N 2.71Å; V165-T168 PolarHBondContact O-OG1 3.06Å; V165-D169 PolarHBondContact O-N 2.89Å
166S41Very low39.2Very low73 Ų7399 Ų9951%0.5157%0.571SS.*Hα-helixtrans-67.4-13.1178.4-1690000114.1
167I37Very low38.5Very low96 Ų96100.2 Ų100.249%0.49259%0.588SS.*Hα-helixtrans-100.8-23-179.8-60.3177.8000111A164 V165A164-I167 PolarHBondContact O-N 3.27Å; V165-I167 PolarHBondContact O-N 3.36Å; V165-I167 VanDerWaalsContact O-N 3.13Å
168T39.5Very low38Very low58 Ų58104.8 Ų104.836%0.35660%0.596SS.*Hα-helixtrans-75.4-43.8174.943.50000112.4V165 L170 C171 D172V165-T168 PolarHBondContact O-N 2.71Å; V165-T168 PolarHBondContact O-OG1 3.06Å; T168-L170 PolarHBondContact O-N 3.33Å; T168-L170 VanDerWaalsContact O-N 3.1Å; T168-C171 PolarHBondContact O-N 3.18Å; T168-D172 PolarHBondContact O-N 2.95Å
169D38.5Very low37.1Very low100 Ų100110.1 Ų110.154%0.53561%0.609SS.*THydrogen-bonded Turntrans-64.8-22.6-171.4-67.2-5.4000114.3V165V165-D169 PolarHBondContact O-N 2.89Å
170L35.9Very low37Very low149 Ų149114.1 Ų114.178%0.7864%0.635SS**THydrogen-bonded Turntrans-84.7-13.7175.5-72.9169000113.8T168T168-L170 PolarHBondContact O-N 3.33Å; T168-L170 VanDerWaalsContact O-N 3.1Å
171C35.3Very low36.4Very low69 Ų69112.7 Ų112.747%0.46664%0.635SS.*THydrogen-bonded Turntrans-106.8-22.1-179.5-71.20000114.1T168 N173T168-C171 PolarHBondContact O-N 3.18Å; C171-N173 VanDerWaalsContact C-N 3.32Å; C171-N173 PolarHBondContact O-N 3.16Å
172D36.1Very low35.5Very low101 Ų101114.4 Ų114.454%0.5465%0.647SS.*G310 helixtrans-79.9-7.6-171.8-72.8-29.9000114.7T168 I174T168-D172 PolarHBondContact O-N 2.95Å; D172-I174 PolarHBondContact O-N 3.4Å; D172-I174 VanDerWaalsContact O-N 3.15Å
173N32.5Very low34.7Very low150 Ų150112.7 Ų112.780%0.80266%0.655SS**G310 helixtrans-76.911.9175.6-83.3-65.3000115.5C171C171-N173 VanDerWaalsContact C-N 3.32Å; C171-N173 PolarHBondContact O-N 3.16Å
174I34.2Very low34Very low123 Ų123113.8 Ų113.863%0.63166%0.664SS**G310 helixtrans-112.9-5.6-177.2-64.2179.1000113D172D172-I174 PolarHBondContact O-N 3.4Å; D172-I174 VanDerWaalsContact O-N 3.15Å
175N29.9Very low33.4Very low142 Ų142123.6 Ų123.676%0.75970%0.695SS**  trans-120.747.3-173.9-82.2-39.6000115.8
176E28.3Very low32.7Very low185 Ų185125 Ų12586%0.86471%0.707SS**  trans-131.1102.3162.3-79.2-154131.600112.4
177S30Very low32Very low125 Ų125126.8 Ų126.887%0.87472%0.72SS**  trans17456.3146.239.40000113
178D29Very low31.8Very low163 Ų163127 Ų12787%0.87273%0.73SS**  trans-127.979.6172.4-138.5-2.9000111.1
179K28.9Very low31.3Very low201 Ų201130.6 Ų130.687%0.87475%0.746SS**  trans-179.5122.9163.1-99.8149.8-169.3172.80111.4
180V32.3Very low30.9Very low156 Ų156136.5 Ų136.595%0.94576%0.761SS**  trans122.4126.2170176.30000108.9
181G30Very low30.6Very low61 Ų61139.1 Ų139.163%0.62977%0.766SS**  cis171.1123-4.600000110.9
182S29.3Very low30.5Very low127 Ų127145.1 Ų145.189%0.88878%0.784SS**  trans40120.7159.1620000122
183G30.3Very low30.2Very low70 Ų70149.6 Ų149.672%0.72280%0.799SS**  trans104.7142.3149.200000115.7
184L30.8Very low30Very low145 Ų145151.6 Ų151.676%0.75980%0.803SS**  cis-148141.4-2.4-71.699000110
185W28.2Very low29.8Very low231 Ų231153.2 Ų153.288%0.87581%0.813SS**  trans61.3147139.5-60.722.7000118.6
186C30.2Very low29.6Very low101 Ų101158.2 Ų158.268%0.68282%0.821SS**  cis-155.6136.4-7.5-121.30000111
187S26.1Very low29.6Very low110 Ų110155.6 Ų155.677%0.76981%0.812SS**  trans-2.2128.5148.954.80000120.7
188S31.5Very low29.5Very low101 Ų101153.7 Ų153.771%0.70680%0.799SS**  trans-165.6125.3131.4-156.30000114
189L29.7Very low29.6Very low133 Ų133148.4 Ų148.470%0.69677%0.768SS**  trans34.1145141.3-74.659000120.8
190R30.8Very low29.6Very low223 Ų223142 Ų14284%0.84275%0.749SS**  cis-167.9152.7-1-120.5167.9-167.5-178.33.9110.1
191K29.7Very low30Very low204 Ų204137.3 Ų137.389%0.88772%0.721SS**  trans-31.6131.1171-65.6169.8171.2177.30117.6
192K31.7Very low30.4Very low196 Ų196140.4 Ų140.485%0.85272%0.722SS**  trans-168.6112.4140.2-101.9164.3-174.3-177.70108.2
193K30.8Very low31Very low195 Ų195141 Ų14185%0.84871%0.71SS**  69.1125.9105.6-87.8-166.4171.9-170.50115
194H27.3Very low31.7Very low192 Ų192138.9 Ų138.989%0.88968%0.684SS**  trans-30.4124.1-179.4-63.1-101000116
195D30.3Very low32.6Very low156 Ų156142 Ų14283%0.83469%0.685SS**  trans-143147.1159.2-96.9-43000110.1I197D195-I197 PolarHBondContact O-N 2.79Å
196R27.4Very low34Very low247 Ų247136.1 Ų136.193%0.93267%0.671SS**  trans-69.1117.5-178.9-62.8175-177.4174.2-0.6109.6S198R196-S198 PolarHBondContact O-N 3.34Å
197I28.1Very low35.8Very low130 Ų130131.7 Ų131.767%0.66764%0.641SS**  trans-77.991.6177-56.3178.8000109.1D195 F199D195-I197 PolarHBondContact O-N 2.79Å; I197-F199 HydrophobicContact CG2-CD2 3.8Å; I197-F199 HydrophobicContact CG2-CE2 3.74Å; I197-F199 PolarHBondContact O-N 3.01Å
198S26.8Very low38.1Very low86 Ų86127.9 Ų127.960%0.60161%0.614SS**  trans-60.9114164.41670000109.5R196 S200R196-S198 PolarHBondContact O-N 3.34Å; S198-S200 PolarHBondContact O-N 2.93Å; S198-S200 PolarHBondContact OG-N 3.15Å; S198-S200 PolarHBondContact OG-OG 3.07Å
199F31.2Very low40.4Very low52 Ų52127.8 Ų127.823%0.22861%0.605CS.*  trans-84.960.8164.5-100-100.9000110.4C134 V136 I197 P201C134-F199 HydrophobicContact CB-CE1 4.2Å; C134-F199 WeakPolarHBondContact SG-CD1 3.26Å; C134-F199 WeakPolarHBondContact SG-CE1 3.35Å; V136-F199 HydrophobicContact CG2-CB 4.23Å; V136-F199 HydrophobicContact CG2-CD1 4.06Å; V136-F199 HydrophobicContact CG2-CD2 3.14Å; V136-F199 HydrophobicContact CG2-CE1 4.21Å; V136-F199 HydrophobicContact CG2-CE2 3.3Å; V136-F199 HydrophobicContact CG2-CG 3.53Å; V136-F199 HydrophobicContact CG2-CZ 3.85Å; I197-F199 HydrophobicContact CG2-CD2 3.8Å; I197-F199 HydrophobicContact CG2-CE2 3.74Å; I197-F199 PolarHBondContact O-N 3.01Å; F199-P201 WeakPolarHBondContact O-CD 3.35Å
200S30Very low42.9Very low67 Ų67122.6 Ų122.647%0.46958%0.58SS.*  trans-70.6122.9166.433.40000108.6S198 I202S198-S200 PolarHBondContact O-N 2.93Å; S198-S200 PolarHBondContact OG-N 3.15Å; S198-S200 PolarHBondContact OG-OG 3.07Å; S200-I202 PolarHBondContact O-N 3.49Å
201P40.3Very low45.5Very low57 Ų57112.4 Ų112.437%0.3754%0.542SS..  trans-62.6111.2172.424.7-31.9000107.8F199 H203 E307F199-P201 WeakPolarHBondContact O-CD 3.35Å; P201-H203 PolarHBondContact O-N 3.27Å; P201-H203 PolarHBondContact O-ND1 3.42Å; P201-H203 VanDerWaalsContact O-ND1 3.09Å; P201-E307 WeakPolarHBondContact CD-OE2 3.35Å
202I38Very low48.2Very low125 Ų125105.2 Ų105.264%0.64151%0.51SS*.  trans-53.8109.2-177.3-64.1175.8000107.7S200 V204S200-I202 PolarHBondContact O-N 3.49Å; I202-V204 PolarHBondContact O-N 3.28Å
203H41.7Very low51Low139 Ų13998.8 Ų98.864%0.64449%0.485SS*.  trans-59109.4-174.8-79.133.9000109.3P201 R205P201-H203 PolarHBondContact O-N 3.27Å; P201-H203 PolarHBondContact O-ND1 3.42Å; P201-H203 VanDerWaalsContact O-ND1 3.09Å; H203-R205 HydrophobicContact CB-CG 4.28Å; H203-R205 PolarHBondContact O-N 3.06Å
204V45.7Very low53.9Low27 Ų2789.5 Ų89.516%0.16444%0.444CS..  trans-75.773.8177.8-168.50000109.2K129 I202 N206 I207 R212K129-V204 HydrophobicContact CD-CG2 4.24Å; K129-V204 HydrophobicContact CG-CG2 3.53Å; I202-V204 PolarHBondContact O-N 3.28Å; V204-N206 HydrophobicContact CG1-CB 4.38Å; V204-N206 PolarHBondContact O-N 3.33Å; V204-I207 HydrophobicContact CB-CD1 4.31Å; V204-I207 HydrophobicContact CG1-CD1 3.6Å; V204-I207 HydrophobicContact CG1-CG1 3.89Å; V204-R212 PolarHBondContact O-NH2 3.3Å
205R48.7Very low57.1Low209 Ų20980.4 Ų80.479%0.78940%0.402SS*.THydrogen-bonded Turntrans-6917.1173.2-69.6-176.3173.7162.1-0.4113.3H203H203-R205 HydrophobicContact CB-CG 4.28Å; H203-R205 PolarHBondContact O-N 3.06Å
206N57.3Low60.2Low109 Ų10974.3 Ų74.358%0.58337%0.368SS*.THydrogen-bonded Turntrans-118.7-2-171.3-68.2-2000114.5V204V204-N206 HydrophobicContact CG1-CB 4.38Å; V204-N206 PolarHBondContact O-N 3.33Å
207I67.7Low63.4Low8 Ų863.1 Ų63.14%0.04133%0.327CS..SBendtrans-101.3128.1170.1-59.7153.7000106.7V125 L128 V204 I211 R212V125-I207 HydrophobicContact CB-CD1 4.15Å; V125-I207 HydrophobicContact CG1-CD1 3.79Å; V125-I207 HydrophobicContact CG2-CD1 3.8Å; L128-I207 HydrophobicContact CD1-CD1 4.41Å; L128-I207 HydrophobicContact CD1-CG1 3.73Å; V204-I207 HydrophobicContact CB-CD1 4.31Å; V204-I207 HydrophobicContact CG1-CD1 3.6Å; V204-I207 HydrophobicContact CG1-CG1 3.89Å; I207-I211 HydrophobicContact CG2-CB 3.86Å; I207-I211 HydrophobicContact CG2-CG2 3.78Å; I207-R212 HydrophobicContact CG2-CG 3.97Å
208S74.5Confident66.6Low29 Ų2956.9 Ų56.920%0.20330%0.295CS..  trans-65.8146.7178.567.80000111.1S210 I211 R212S208-S210 PolarHBondContact O-N 3.28Å; S208-S210 PolarHBondContact OG-OG 3.11Å; S208-I211 PolarHBondContact O-N 3.49Å; S208-I211 WeakPolarHBondContact OG-CD1 3.5Å; S208-I211 WeakPolarHBondContact OG-CG1 3.23Å; S208-R212 PolarHBondContact O-N 3.05Å
209D81.5Confident70Confident100 Ų10052.8 Ų52.854%0.53527%0.266SS..Hα-helixtrans-61.8-30.7-179.8-58.4-53.7000112I211 R212 D213D209-I211 VanDerWaalsContact C-N 3.33Å; D209-I211 PolarHBondContact O-N 2.81Å; D209-R212 WeakPolarHBondContact O-CB 3.45Å; D209-R212 PolarHBondContact O-N 3.13Å; D209-R212 VanDerWaalsContact O-N 3.16Å; D209-R212 IonicContact OD1-CZ 3.78Å; D209-R212 IonicContact OD1-NE 3.76Å; D209-R212 IonicContact OD1-NH1 2.84Å; D209-R212 PolarHBondContact OD1-NH1 3.05Å; D209-D213 WeakPolarHBondContact O-CB 3.45Å; D209-D213 PolarHBondContact O-N 3.4Å
210S82.3Confident73.1Confident24 Ų2455.1 Ų55.117%0.16827%0.273CS..Hα-helixtrans-58.9-35170.850.40000114.9A80 S208 S214A80-S210 WeakPolarHBondContact CB-OG 3.27Å; S208-S210 PolarHBondContact O-N 3.28Å; S208-S210 PolarHBondContact OG-OG 3.11Å; S210-S214 WeakPolarHBondContact O-CB 3.43Å; S210-S214 PolarHBondContact O-N 2.78Å
211I84.5Confident76.3Confident8 Ų852 Ų524%0.04125%0.251CS..Hα-helixtrans-75.8-35.7176-66.7166.4000110.7L71 A80 V121 M124 I207 S208 D209 S214 L215L71-I211 HydrophobicContact CD2-CD1 4.36Å; A80-I211 HydrophobicContact CB-CG1 3.88Å; V121-I211 HydrophobicContact CG1-CG2 3.73Å; M124-I211 HydrophobicContact CE-CD1 4.14Å; M124-I211 HydrophobicContact CE-CG2 3.9Å; I207-I211 HydrophobicContact CG2-CB 3.86Å; I207-I211 HydrophobicContact CG2-CG2 3.78Å; S208-I211 PolarHBondContact O-N 3.49Å; S208-I211 WeakPolarHBondContact OG-CD1 3.5Å; S208-I211 WeakPolarHBondContact OG-CG1 3.23Å; D209-I211 VanDerWaalsContact C-N 3.33Å; D209-I211 PolarHBondContact O-N 2.81Å; I211-S214 PolarHBondContact O-OG 3.19Å; I211-L215 WeakPolarHBondContact O-CB 3.46Å; I211-L215 PolarHBondContact O-N 3.39Å; I211-L215 VanDerWaalsContact O-N 3.1Å
212R86.8Confident79.1Confident54 Ų5449.2 Ų49.220%0.20423%0.234CC..Hα-helixtrans-64.9-47.2174.6-65.8172.3-179.9172.9-10110.6V204 I207 S208 D209 S214 L215 H216 H251 P252V204-R212 PolarHBondContact O-NH2 3.3Å; I207-R212 HydrophobicContact CG2-CG 3.97Å; S208-R212 PolarHBondContact O-N 3.05Å; D209-R212 WeakPolarHBondContact O-CB 3.45Å; D209-R212 PolarHBondContact O-N 3.13Å; D209-R212 VanDerWaalsContact O-N 3.16Å; D209-R212 IonicContact OD1-CZ 3.78Å; D209-R212 IonicContact OD1-NE 3.76Å; D209-R212 IonicContact OD1-NH1 2.84Å; D209-R212 PolarHBondContact OD1-NH1 3.05Å; R212-S214 PolarHBondContact O-N 2.91Å; R212-L215 WeakPolarHBondContact O-CB 3.44Å; R212-L215 PolarHBondContact O-N 2.78Å; R212-H216 PolarHBondContact O-N 3.06Å; R212-H251 WeakPolarHBondContact CA-NE2 3.24Å; R212-H251 WeakPolarHBondContact CB-NE2 3.11Å; R212-H251 PolarHBondContact O-NE2 3.28Å; R212-P252 HydrophobicContact CG-CG 4.11Å
213D90.6Very high81.8Confident61 Ų6146.7 Ų46.733%0.32622%0.216SC..Hα-helixtrans-63.2-41.1177.7-68.5-11.9000112K84 D209 L215 H216 Q217K84-D213 HydrophobicContact CD-CB 3.57Å; K84-D213 WeakPolarHBondContact CE-OD2 3.24Å; K84-D213 HydrophobicContact CG-CB 3.93Å; K84-D213 IonicContact NZ-OD2 2.67Å; K84-D213 PolarHBondContact NZ-OD2 3.5Å; D209-D213 WeakPolarHBondContact O-CB 3.45Å; D209-D213 PolarHBondContact O-N 3.4Å; D213-L215 VanDerWaalsContact C-N 3.31Å; D213-L215 PolarHBondContact O-N 3.14Å; D213-H216 PolarHBondContact O-N 3.29Å; D213-Q217 VanDerWaalsContact O-CB 3.27Å; D213-Q217 WeakPolarHBondContact O-CB 3.47Å; D213-Q217 PolarHBondContact O-N 3.16Å
214S92Very high84.4Confident0 Ų040.8 Ų40.80%019%0.191CC..Hα-helixtrans-64.7-36.4175.5750000112L87 Y117 S210 I211 R212 Q217 G218L87-S214 VanDerWaalsContact CD1-O 3.25Å; L87-S214 WeakPolarHBondContact CD1-O 3.49Å; Y117-S214 WeakPolarHBondContact OH-CB 3.46Å; Y117-S214 PolarHBondContact OH-OG 3.28Å; S210-S214 WeakPolarHBondContact O-CB 3.43Å; S210-S214 PolarHBondContact O-N 2.78Å; I211-S214 PolarHBondContact O-OG 3.19Å; R212-S214 PolarHBondContact O-N 2.91Å; S214-Q217 PolarHBondContact O-N 2.86Å; S214-G218 PolarHBondContact O-N 3.03Å
215L93.2Very high86.8Confident1 Ų139.5 Ų39.51%0.00518%0.184CC..Hα-helixtrans-67.3-47174.1179.754.1000111.8V118 V121 I122 I211 R212 D213 Q217 G218 V219V118-L215 HydrophobicContact CG1-CD1 3.7Å; V121-L215 HydrophobicContact CG1-CB 4.13Å; V121-L215 HydrophobicContact CG1-CD1 4.47Å; V121-L215 HydrophobicContact CG1-CD2 4.12Å; V121-L215 HydrophobicContact CG1-CG 4.48Å; I122-L215 HydrophobicContact CD1-CD2 3.64Å; I211-L215 WeakPolarHBondContact O-CB 3.46Å; I211-L215 PolarHBondContact O-N 3.39Å; I211-L215 VanDerWaalsContact O-N 3.1Å; R212-L215 WeakPolarHBondContact O-CB 3.44Å; R212-L215 PolarHBondContact O-N 2.78Å; D213-L215 VanDerWaalsContact C-N 3.31Å; D213-L215 PolarHBondContact O-N 3.14Å; L215-Q217 PolarHBondContact O-N 3.33Å; L215-G218 PolarHBondContact O-N 2.83Å; L215-V219 PolarHBondContact O-N 3.17Å; L215-V219 VanDerWaalsContact O-N 3.11Å
216H94.9Very high88.9Confident27 Ų2729.8 Ų29.813%0.12515%0.147CC..Hα-helixtrans-55.3-43.1172.9-179.775.3000111.6R212 D213 V219 R220 T256R212-H216 PolarHBondContact O-N 3.06Å; D213-H216 PolarHBondContact O-N 3.29Å; H216-V219 WeakPolarHBondContact O-CB 3.43Å; H216-V219 PolarHBondContact O-N 2.78Å; H216-R220 PolarHBondContact CD2-NE 2.95Å; H216-R220 PolarHBondContact NE2-NE 3.2Å; H216-R220 PolarHBondContact NE2-NH2 2.99Å; H216-R220 PolarHBondContact O-N 3.32Å; H216-R220 VanDerWaalsContact O-N 3.1Å; H216-T256 HydrophobicContact CB-CG2 4.32Å; H216-T256 PolarHBondContact ND1-OG1 3.21Å
217Q95.5Very high90.6Very high12 Ų1226.1 Ų26.16%0.05613%0.128CC..Hα-helixtrans-69.1-34.4-179.7-164.558.149.900112.7L87 L88 E91 D213 S214 L215 V219 R220 C221L87-Q217 HydrophobicContact CB-CB 4.05Å; L87-Q217 HydrophobicContact CB-CG 3.72Å; L88-Q217 VanDerWaalsContact CA-CG 3.47Å; L88-Q217 HydrophobicContact CB-CG 3.97Å; L88-Q217 VanDerWaalsContact N-CG 3.26Å; E91-Q217 PolarHBondContact OE2-NE2 2.97Å; D213-Q217 VanDerWaalsContact O-CB 3.27Å; D213-Q217 WeakPolarHBondContact O-CB 3.47Å; D213-Q217 PolarHBondContact O-N 3.16Å; S214-Q217 PolarHBondContact O-N 2.86Å; L215-Q217 PolarHBondContact O-N 3.33Å; Q217-V219 VanDerWaalsContact C-N 3.34Å; Q217-V219 PolarHBondContact O-N 2.84Å; Q217-R220 WeakPolarHBondContact O-CB 3.4Å; Q217-R220 PolarHBondContact O-N 3.22Å; Q217-R220 VanDerWaalsContact O-N 3.15Å; Q217-C221 PolarHBondContact O-N 3.1Å; Q217-C221 PolarHBondContact O-SG 3.46Å; Q217-C221 VanDerWaalsContact O-SG 3.42Å
218G96.4Very high91.7Very high0 Ų026 Ų260%013%0.127CC..Hα-helixtrans-60.8-39.1169.300000113S214 L215 R220 C221 F222S214-G218 PolarHBondContact O-N 3.03Å; L215-G218 PolarHBondContact O-N 2.83Å; G218-R220 VanDerWaalsContact C-N 3.32Å; G218-R220 PolarHBondContact O-N 3Å; G218-C221 WeakPolarHBondContact O-CB 3.35Å; G218-C221 PolarHBondContact O-N 3.45Å; G218-F222 WeakPolarHBondContact O-CD2 3.27Å; G218-F222 PolarHBondContact O-N 2.87Å; G218-F222 VanDerWaalsContact O-N 3.13Å
219V97.2Very high92.4Very high0 Ų028.5 Ų28.50%014%0.136CC..Hα-helixtrans-64.8-36172.7-174.80000111.5L215 H216 Q217 F222 R223 C248 T256 L259 V260 L263L215-V219 PolarHBondContact O-N 3.17Å; L215-V219 VanDerWaalsContact O-N 3.11Å; H216-V219 WeakPolarHBondContact O-CB 3.43Å; H216-V219 PolarHBondContact O-N 2.78Å; Q217-V219 VanDerWaalsContact C-N 3.34Å; Q217-V219 PolarHBondContact O-N 2.84Å; V219-F222 WeakPolarHBondContact O-CB 3.19Å; V219-F222 PolarHBondContact O-N 2.72Å; V219-R223 PolarHBondContact O-N 3.45Å; V219-C248 HydrophobicContact CG2-CB 3.87Å; V219-T256 HydrophobicContact CG2-CG2 4.26Å; V219-L259 HydrophobicContact CB-CD2 4.06Å; V219-L259 HydrophobicContact CG1-CD2 3.61Å; V219-L259 HydrophobicContact CG1-CG 3.74Å; V219-V260 HydrophobicContact CG1-CG2 3.77Å; V219-V260 HydrophobicContact CG2-CG2 4.14Å; V219-L263 HydrophobicContact CG1-CD1 3.8Å
220R97Very high92.9Very high101 Ų10127.4 Ų27.438%0.38112%0.124SC..Hα-helixtrans-66.9-34.1173-61.2-175.6178.4-162.9-0.9113E91 H216 Q217 G218 F222 R223 A224 L259E91-R220 HydrophobicContact CG-CB 3.81Å; H216-R220 PolarHBondContact CD2-NE 2.95Å; H216-R220 PolarHBondContact NE2-NE 3.2Å; H216-R220 PolarHBondContact NE2-NH2 2.99Å; H216-R220 PolarHBondContact O-N 3.32Å; H216-R220 VanDerWaalsContact O-N 3.1Å; Q217-R220 WeakPolarHBondContact O-CB 3.4Å; Q217-R220 PolarHBondContact O-N 3.22Å; Q217-R220 VanDerWaalsContact O-N 3.15Å; G218-R220 VanDerWaalsContact C-N 3.32Å; G218-R220 PolarHBondContact O-N 3Å; R220-F222 VanDerWaalsContact C-N 3.32Å; R220-R223 WeakPolarHBondContact O-CB 3.32Å; R220-R223 PolarHBondContact O-N 3.37Å; R220-A224 PolarHBondContact O-N 3.32Å; R220-L259 HydrophobicContact CG-CD2 3.79Å
221C97.5Very high93.5Very high0 Ų026.2 Ų26.20%012%0.116CC..Hα-helixtrans-60.9-41.3169.7-62.20000111.3L87 L94 L114 Q217 G218 A224 L225L87-C221 PolarHBondContact O-SG 3.41Å; L94-C221 HydrophobicContact CD1-CB 4.07Å; L114-C221 HydrophobicContact CD1-CB 3.81Å; L114-C221 HydrophobicContact CD2-CB 3.52Å; L114-C221 HydrophobicContact CG-CB 4.34Å; Q217-C221 PolarHBondContact O-N 3.1Å; Q217-C221 PolarHBondContact O-SG 3.46Å; Q217-C221 VanDerWaalsContact O-SG 3.42Å; G218-C221 WeakPolarHBondContact O-CB 3.35Å; G218-C221 PolarHBondContact O-N 3.45Å; C221-A224 PolarHBondContact O-N 2.87Å; C221-L225 WeakPolarHBondContact O-CG 3.17Å; C221-L225 PolarHBondContact O-N 2.87Å
222F97.7Very high93.9Very high0 Ų026 Ų260%012%0.115CC..Hα-helixtrans-63.3-38.3172.9-71.6-57.4000112.9L111 L114 V115 V118 G218 V219 R220 A224 L225 L226 I245 L263L111-F222 HydrophobicContact CD1-CD1 4.41Å; L111-F222 HydrophobicContact CD1-CE1 3.9Å; L114-F222 HydrophobicContact CD2-CD1 3.74Å; L114-F222 HydrophobicContact CD2-CD2 4.42Å; L114-F222 HydrophobicContact CD2-CE1 3.67Å; L114-F222 HydrophobicContact CD2-CE2 4.37Å; L114-F222 HydrophobicContact CD2-CG 4.12Å; L114-F222 HydrophobicContact CD2-CZ 4Å; L114-F222 HydrophobicContact CG-CE1 4.06Å; L114-F222 HydrophobicContact CG-CE2 4.3Å; L114-F222 HydrophobicContact CG-CZ 3.91Å; V115-F222 HydrophobicContact CB-CZ 4.45Å; V115-F222 HydrophobicContact CG2-CE1 3.73Å; V115-F222 HydrophobicContact CG2-CZ 3.71Å; V118-F222 HydrophobicContact CB-CE2 4.19Å; V118-F222 HydrophobicContact CG1-CE2 4.18Å; V118-F222 HydrophobicContact CG2-CE2 3.97Å; G218-F222 WeakPolarHBondContact O-CD2 3.27Å; G218-F222 PolarHBondContact O-N 2.87Å; G218-F222 VanDerWaalsContact O-N 3.13Å; V219-F222 WeakPolarHBondContact O-CB 3.19Å; V219-F222 PolarHBondContact O-N 2.72Å; R220-F222 VanDerWaalsContact C-N 3.32Å; F222-A224 PolarHBondContact O-N 2.81Å; F222-L225 PolarHBondContact O-N 3.43Å; F222-L226 WeakPolarHBondContact O-CB 3.43Å; F222-L226 WeakPolarHBondContact O-CG 3.39Å; F222-L226 PolarHBondContact O-N 2.88Å; F222-I245 HydrophobicContact CB-CD1 4.11Å; F222-I245 HydrophobicContact CB-CG1 4.35Å; F222-I245 HydrophobicContact CD1-CD1 4.12Å; F222-I245 HydrophobicContact CD1-CG1 4.39Å; F222-I245 HydrophobicContact CD2-CD1 4.32Å; F222-I245 HydrophobicContact CD2-CG1 3.79Å; F222-I245 HydrophobicContact CE2-CG1 4.12Å; F222-I245 HydrophobicContact CG-CD1 3.96Å; F222-I245 HydrophobicContact CG-CG1 3.95Å; F222-L263 HydrophobicContact CB-CD1 3.94Å
223R96.1Very high94.2Very high71 Ų7125.3 Ų25.327%0.26812%0.118SC..Hα-helixtrans-56.9-48.8171.5-166.6-165.7-177.5111.40.8111.2V219 R220 L225 L226 N227 L259 E262 L263 M1022 D1023V219-R223 PolarHBondContact O-N 3.45Å; R220-R223 WeakPolarHBondContact O-CB 3.32Å; R220-R223 PolarHBondContact O-N 3.37Å; R223-L225 VanDerWaalsContact C-N 3.33Å; R223-L225 PolarHBondContact O-N 3.1Å; R223-L226 PolarHBondContact O-N 3.41Å; R223-N227 WeakPolarHBondContact O-CB 3.4Å; R223-N227 PolarHBondContact O-N 3.21Å; R223-N227 VanDerWaalsContact O-N 3.1Å; R223-L259 HydrophobicContact CB-CD1 4.38Å; R223-L259 HydrophobicContact CG-CD1 4.34Å; R223-E262 IonicContact CZ-OE2 3.65Å; R223-E262 IonicContact NH1-OE2 2.66Å; R223-E262 PolarHBondContact NH1-OE2 3.36Å; R223-E262 IonicContact NH2-OE2 3.83Å; R223-L263 HydrophobicContact CB-CD2 3.77Å; R223-L263 HydrophobicContact CG-CD2 3.85Å; R223-M1022 HydrophobicContact CG-SD 3.77Å; R223-D1023 IonicContact CZ-OD1 3.7Å; R223-D1023 IonicContact NE-OD1 3.66Å; R223-D1023 PolarHBondContact NE-OD1 3Å; R223-D1023 IonicContact NH2-OD1 3.92Å; R223-D1023 PolarHBondContact NH2-OD1 2.93Å
224A94.9Very high94.4Very high16 Ų1624.6 Ų24.613%0.13211%0.114CC..Hα-helixtrans-62.3-40-179.800000112.2L94 R220 C221 F222 N227L94-A224 HydrophobicContact CB-CB 3.74Å; L94-A224 HydrophobicContact CD1-CB 4.38Å; R220-A224 PolarHBondContact O-N 3.32Å; C221-A224 PolarHBondContact O-N 2.87Å; F222-A224 PolarHBondContact O-N 2.81Å; A224-N227 PolarHBondContact O-N 2.93Å
225L95.8Very high94.5Very high0 Ų024.6 Ų24.60%011%0.114CC..Hα-helixtrans-69.5-41.8176.6-69.7174.8000113.3L94 V102 F105 L106 L111 L114 C221 F222 R223 N227 N228 G231 C232L94-L225 HydrophobicContact CD1-CD2 4.33Å; L94-L225 HydrophobicContact CD1-CG 4.19Å; L94-L225 HydrophobicContact CD2-CD2 3.7Å; L94-L225 HydrophobicContact CD2-CG 4.44Å; V102-L225 HydrophobicContact CG1-CD2 4.33Å; F105-L225 HydrophobicContact CD1-CD2 4.39Å; F105-L225 HydrophobicContact CE1-CD1 4.42Å; F105-L225 HydrophobicContact CE1-CD2 4.45Å; L106-L225 HydrophobicContact CD2-CD2 4Å; L106-L225 HydrophobicContact CG-CD2 4.45Å; L111-L225 HydrophobicContact CD1-CD1 4.01Å; L114-L225 HydrophobicContact CD2-CD1 3.91Å; C221-L225 WeakPolarHBondContact O-CG 3.17Å; C221-L225 PolarHBondContact O-N 2.87Å; F222-L225 PolarHBondContact O-N 3.43Å; R223-L225 VanDerWaalsContact C-N 3.33Å; R223-L225 PolarHBondContact O-N 3.1Å; L225-N227 PolarHBondContact O-N 3.48Å; L225-N228 PolarHBondContact O-N 3.19Å; L225-N228 VanDerWaalsContact O-N 3.14Å; L225-N228 VanDerWaalsContact O-O 3.07Å; L225-G231 CarbonylContact O-C 3.57Å; L225-G231 VanDerWaalsContact O-C 3.23Å; L225-G231 WeakPolarHBondContact O-CA 3.34Å; L225-C232 PolarHBondContact O-N 3.27Å; L225-C232 VanDerWaalsContact O-N 3.13Å
226L94.3Very high94.4Very high4 Ų425.3 Ų25.32%0.02112%0.117CC..Hα-helixtrans-68.2-19.2176.8-77.5166.4000113F222 R223 C232 V235 F236 I245 L263 V267 M1022F222-L226 WeakPolarHBondContact O-CB 3.43Å; F222-L226 WeakPolarHBondContact O-CG 3.39Å; F222-L226 PolarHBondContact O-N 2.88Å; R223-L226 PolarHBondContact O-N 3.41Å; L226-C232 HydrophobicContact CD2-CB 4.49Å; L226-V235 HydrophobicContact CD2-CB 4.09Å; L226-V235 HydrophobicContact CD2-CG1 3.76Å; L226-V235 HydrophobicContact CG-CG1 4.33Å; L226-F236 HydrophobicContact CD2-CE2 4.44Å; L226-I245 HydrophobicContact CD1-CD1 4.29Å; L226-L263 HydrophobicContact CD1-CB 4.18Å; L226-L263 HydrophobicContact CD1-CD1 4.23Å; L226-L263 HydrophobicContact CD1-CD2 4.19Å; L226-L263 HydrophobicContact CD1-CG 4.41Å; L226-V267 HydrophobicContact CD1-CG2 4.17Å; L226-V267 HydrophobicContact CD2-CG2 4.06Å; L226-M1022 HydrophobicContact CB-CE 3.72Å; L226-M1022 HydrophobicContact CB-SD 3.81Å; L226-M1022 HydrophobicContact CD1-CE 3.89Å; L226-M1022 HydrophobicContact CG-CE 4.39Å
227N92Very high94.3Very high33 Ų3331 Ų3118%0.17614%0.143CC..THydrogen-bonded Turntrans-88.7-2.4174.1-149.235.8000113.6R223 A224 L225 D1019 G1020 M1022 D1023R223-N227 WeakPolarHBondContact O-CB 3.4Å; R223-N227 PolarHBondContact O-N 3.21Å; R223-N227 VanDerWaalsContact O-N 3.1Å; A224-N227 PolarHBondContact O-N 2.93Å; L225-N227 PolarHBondContact O-N 3.48Å; N227-D1019 CarbonylContact O-C 3.5Å; N227-D1019 WeakPolarHBondContact O-CA 3.37Å; N227-G1020 PolarHBondContact O-N 3.41Å; N227-G1020 VanDerWaalsContact OD1-CA 3.24Å; N227-G1020 WeakPolarHBondContact OD1-CA 3.3Å; N227-G1020 PolarHBondContact OD1-O 3.33Å; N227-M1022 HydrophobicContact CB-CB 4.22Å; N227-M1022 WeakPolarHBondContact OD1-CB 3.39Å; N227-M1022 PolarHBondContact OD1-N 3.37Å; N227-D1023 PolarHBondContact ND2-OD2 2.74Å; N227-D1023 PolarHBondContact OD1-N 3.42Å
228N91Very high94.3Very high6 Ų631.6 Ų31.63%0.03215%0.146CC..SBendtrans-105.8139.3169.9170.7-99.6000109.6V99 V102 L225 R230 G231 C232 D1019V99-N228 WeakPolarHBondContact CG2-ND2 3.38Å; V102-N228 HydrophobicContact CG1-CB 4.35Å; L225-N228 PolarHBondContact O-N 3.19Å; L225-N228 VanDerWaalsContact O-N 3.14Å; L225-N228 VanDerWaalsContact O-O 3.07Å; N228-R230 PolarHBondContact O-N 3.37Å; N228-R230 PolarHBondContact OD1-N 3.06Å; N228-G231 PolarHBondContact O-N 3.27Å; N228-G231 PolarHBondContact OD1-N 3.01Å; N228-C232 VanDerWaalsContact O-CB 3.26Å; N228-C232 WeakPolarHBondContact O-CB 3.47Å; N228-C232 PolarHBondContact O-N 3.08Å; N228-D1019 WeakPolarHBondContact CA-OD1 3.47Å; N228-D1019 VanDerWaalsContact ND2-CG 3.29Å; N228-D1019 PolarHBondContact ND2-OD1 2.89Å; N228-D1019 PolarHBondContact ND2-OD2 3.19Å
229Q90.1Very high94.2Very high81 Ų8136.1 Ų36.138%0.37918%0.175SC..Hα-helixtrans-58.6-49.3-173.7-160.2-170.110.700111.9S233 I1016 D1019Q229-S233 PolarHBondContact O-N 3.48Å; Q229-S233 PolarHBondContact O-OG 3.18Å; Q229-I1016 HydrophobicContact CB-CG2 4.5Å; Q229-I1016 HydrophobicContact CG-CG2 3.56Å; Q229-I1016 PolarHBondContact NE2-O 2.96Å; Q229-D1019 WeakPolarHBondContact CB-OD1 3.43Å; Q229-D1019 PolarHBondContact N-OD1 3.29Å
230R92.1Very high94.1Very high76 Ų7641.3 Ų41.329%0.28720%0.2SC..Hα-helixtrans-70.7-42.1179.7-168.3-177179.9-157.9-5111.7Y103 L106 D107 N228 C232 S233 M234Y103-R230 HydrophobicContact CD1-CB 4.02Å; Y103-R230 HydrophobicContact CD1-CG 4.38Å; Y103-R230 HydrophobicContact CE1-CB 3.41Å; Y103-R230 VanDerWaalsContact CE1-CB 3.41Å; Y103-R230 HydrophobicContact CE1-CG 4.16Å; L106-R230 HydrophobicContact CD1-CB 4.22Å; L106-R230 HydrophobicContact CD1-CG 4.06Å; D107-R230 IonicContact OD1-CZ 3.61Å; D107-R230 IonicContact OD1-NH1 3.58Å; D107-R230 PolarHBondContact OD1-NH1 3.2Å; D107-R230 IonicContact OD1-NH2 3.97Å; D107-R230 PolarHBondContact OD1-NH2 2.96Å; D107-R230 IonicContact OD2-CZ 2.92Å; D107-R230 IonicContact OD2-NH1 3.41Å; D107-R230 PolarHBondContact OD2-NH1 3.16Å; D107-R230 IonicContact OD2-NH2 3.33Å; N228-R230 PolarHBondContact O-N 3.37Å; N228-R230 PolarHBondContact OD1-N 3.06Å; R230-C232 VanDerWaalsContact C-N 3.3Å; R230-C232 PolarHBondContact O-N 2.67Å; R230-S233 PolarHBondContact O-N 3.07Å; R230-M234 HydrophobicContact CG-SD 4.22Å; R230-M234 WeakPolarHBondContact O-CG 3.38Å; R230-M234 PolarHBondContact O-N 2.73Å
231G93.5Very high94.1Very high0 Ų036.5 Ų36.50%018%0.181CC..Hα-helixtrans-59.5-40.6175.800000112.4L225 N228 M234 V235L225-G231 CarbonylContact O-C 3.57Å; L225-G231 VanDerWaalsContact O-C 3.23Å; L225-G231 WeakPolarHBondContact O-CA 3.34Å; N228-G231 PolarHBondContact O-N 3.27Å; N228-G231 PolarHBondContact OD1-N 3.01Å; G231-M234 PolarHBondContact O-N 3.14Å; G231-V235 WeakPolarHBondContact O-CB 3.41Å; G231-V235 VanDerWaalsContact O-CG2 3.26Å; G231-V235 WeakPolarHBondContact O-CG2 3.45Å; G231-V235 PolarHBondContact O-N 3.31Å
232C92.8Very high94.1Very high3 Ų336.8 Ų36.82%0.0218%0.183CC..Hα-helixtrans-63.8-50.9175.8-168.90000111.7L225 L226 N228 R230 M234 V235 F236 I1016L225-C232 PolarHBondContact O-N 3.27Å; L225-C232 VanDerWaalsContact O-N 3.13Å; L226-C232 HydrophobicContact CD2-CB 4.49Å; N228-C232 VanDerWaalsContact O-CB 3.26Å; N228-C232 WeakPolarHBondContact O-CB 3.47Å; N228-C232 PolarHBondContact O-N 3.08Å; R230-C232 VanDerWaalsContact C-N 3.3Å; R230-C232 PolarHBondContact O-N 2.67Å; C232-M234 VanDerWaalsContact C-N 3.34Å; C232-M234 PolarHBondContact O-N 3.03Å; C232-V235 PolarHBondContact O-N 2.63Å; C232-V235 VanDerWaalsContact O-N 3.16Å; C232-F236 WeakPolarHBondContact O-CD2 3.49Å; C232-F236 PolarHBondContact O-N 2.95Å; C232-I1016 HydrophobicContact CB-CD1 4.49Å; C232-I1016 HydrophobicContact CB-CG2 4.5Å
233S92.9Very high94Very high39 Ų3938.4 Ų38.427%0.27319%0.192SC..Hα-helixtrans-56.4-45.4175.6-60.90000112.3Q229 R230 V235 F236 E237Q229-S233 PolarHBondContact O-N 3.48Å; Q229-S233 PolarHBondContact O-OG 3.18Å; R230-S233 PolarHBondContact O-N 3.07Å; S233-V235 PolarHBondContact O-N 3.22Å; S233-F236 WeakPolarHBondContact O-CB 3.31Å; S233-F236 PolarHBondContact O-N 3.14Å; S233-F236 VanDerWaalsContact O-N 3.11Å; S233-E237 WeakPolarHBondContact O-CG 3.34Å; S233-E237 PolarHBondContact O-N 3.11Å
234M94.6Very high94.1Very high47 Ų4735.3 Ų35.323%0.23218%0.181CC..Hα-helixtrans-67.5-32.5178.7-69.9-178.365.800113.1L106 L111 R230 G231 C232 F236 E237 H238L106-M234 HydrophobicContact CB-CE 4.1Å; L106-M234 HydrophobicContact CB-SD 3.78Å; L106-M234 HydrophobicContact CD1-SD 3.94Å; L106-M234 HydrophobicContact CD2-CE 4.2Å; L106-M234 HydrophobicContact CD2-SD 3.96Å; L106-M234 HydrophobicContact CG-SD 4.11Å; L111-M234 HydrophobicContact CD2-CB 3.82Å; L111-M234 WeakPolarHBondContact CD2-O 3.46Å; R230-M234 HydrophobicContact CG-SD 4.22Å; R230-M234 WeakPolarHBondContact O-CG 3.38Å; R230-M234 PolarHBondContact O-N 2.73Å; G231-M234 PolarHBondContact O-N 3.14Å; C232-M234 VanDerWaalsContact C-N 3.34Å; C232-M234 PolarHBondContact O-N 3.03Å; M234-F236 VanDerWaalsContact C-N 3.32Å; M234-E237 PolarHBondContact O-N 3.04Å; M234-H238 VanDerWaalsContact O-CB 3.23Å; M234-H238 WeakPolarHBondContact O-CB 3.32Å; M234-H238 PolarHBondContact O-N 3.29Å
235V94.9Very high94.2Very high0 Ų034.7 Ų34.70%018%0.175CC..Hα-helixtrans-67.1-33.4171.5168.10000111.6L111 L226 G231 C232 S233 A241 I245L111-V235 HydrophobicContact CD1-CG2 3.75Å; L111-V235 HydrophobicContact CD2-CG2 4.08Å; L226-V235 HydrophobicContact CD2-CB 4.09Å; L226-V235 HydrophobicContact CD2-CG1 3.76Å; L226-V235 HydrophobicContact CG-CG1 4.33Å; G231-V235 WeakPolarHBondContact O-CB 3.41Å; G231-V235 VanDerWaalsContact O-CG2 3.26Å; G231-V235 WeakPolarHBondContact O-CG2 3.45Å; G231-V235 PolarHBondContact O-N 3.31Å; C232-V235 PolarHBondContact O-N 2.63Å; C232-V235 VanDerWaalsContact O-N 3.16Å; S233-V235 PolarHBondContact O-N 3.22Å; V235-A241 HydrophobicContact CG1-CB 4.04Å; V235-I245 HydrophobicContact CG1-CD1 4.39Å
236F92Very high94.3Very high16 Ų1634.7 Ų34.77%0.0718%0.175CC..Hα-helixtrans-72.8-39.9173.4-87.4-120.6000112.1L226 C232 S233 M234 V267 I270 R276L226-F236 HydrophobicContact CD2-CE2 4.44Å; C232-F236 WeakPolarHBondContact O-CD2 3.49Å; C232-F236 PolarHBondContact O-N 2.95Å; S233-F236 WeakPolarHBondContact O-CB 3.31Å; S233-F236 PolarHBondContact O-N 3.14Å; S233-F236 VanDerWaalsContact O-N 3.11Å; M234-F236 VanDerWaalsContact C-N 3.32Å; F236-V267 HydrophobicContact CE2-CB 4.44Å; F236-V267 HydrophobicContact CE2-CG1 3.98Å; F236-V267 HydrophobicContact CE2-CG2 4.12Å; F236-V267 HydrophobicContact CZ-CB 4.29Å; F236-V267 HydrophobicContact CZ-CG1 3.69Å; F236-V267 HydrophobicContact CZ-CG2 4.46Å; F236-I270 HydrophobicContact CD1-CG2 4.47Å; F236-I270 HydrophobicContact CE1-CB 4Å; F236-I270 HydrophobicContact CE1-CG2 3.62Å; F236-I270 HydrophobicContact CE2-CD1 4.04Å; F236-I270 HydrophobicContact CE2-CG2 4.41Å; F236-I270 HydrophobicContact CZ-CB 3.63Å; F236-I270 HydrophobicContact CZ-CD1 3.92Å; F236-I270 HydrophobicContact CZ-CG1 4.36Å; F236-I270 HydrophobicContact CZ-CG2 3.61Å; F236-R276 PolarHBondContact O-NH1 3.32Å; F236-R276 PolarHBondContact O-NH2 2.87Å
237E92.4Very high94.3Very high146 Ų14634.7 Ų34.768%0.68218%0.175SC*.Hα-helixtrans-70.1-31.7177.6-71.5168.8-176.600112.5S233 M234S233-E237 WeakPolarHBondContact O-CG 3.34Å; S233-E237 PolarHBondContact O-N 3.11Å; M234-E237 PolarHBondContact O-N 3.04Å
238H95.6Very high94.5Very high24 Ų2433.1 Ų33.111%0.11117%0.167CC..SBendtrans-68.8124-176.8-176.9-68.6000112.7L111 E112 M234 H240 A241L111-H238 HydrophobicContact CD2-CB 4.2Å; E112-H238 IonicContact OE2-CD2 3.93Å; E112-H238 IonicContact OE2-NE2 2.74Å; E112-H238 PolarHBondContact OE2-NE2 3.2Å; E112-H238 VanDerWaalsContact OE2-NE2 3.15Å; M234-H238 VanDerWaalsContact O-CB 3.23Å; M234-H238 WeakPolarHBondContact O-CB 3.32Å; M234-H238 PolarHBondContact O-N 3.29Å; H238-H240 VanDerWaalsContact C-N 3.26Å; H238-H240 PolarHBondContact ND1-N 2.97Å; H238-H240 PolarHBondContact O-N 3.16Å; H238-A241 HydrophobicContact CB-CB 3.91Å; H238-A241 PolarHBondContact ND1-N 3.19Å; H238-A241 VanDerWaalsContact ND1-N 3.14Å; H238-A241 PolarHBondContact O-N 3.13Å
239P93.8Very high94.7Very high95 Ų9533 Ų3362%0.61717%0.166SC*.THydrogen-bonded Turntrans-65.1-20.8-165.625.6-36.5000115.5
240H94.5Very high94.8Very high110 Ų11029.1 Ų29.151%0.50915%0.148SC..THydrogen-bonded Turntrans-124.62.9-175.8-53.5-39.6000114.8H238 N243 V244H238-H240 VanDerWaalsContact C-N 3.26Å; H238-H240 PolarHBondContact ND1-N 2.97Å; H238-H240 PolarHBondContact O-N 3.16Å; H240-N243 PolarHBondContact O-N 3.25Å; H240-V244 WeakPolarHBondContact O-CB 3.48Å; H240-V244 VanDerWaalsContact O-CG2 3.31Å; H240-V244 WeakPolarHBondContact O-CG2 3.29Å; H240-V244 PolarHBondContact O-N 2.74Å
241A97Very high94.8Very high0 Ų025.8 Ų25.80%014%0.136CC..Hα-helixtrans-69-47.6-168.800000111.6V115 V235 H238 N243 V244 I245V115-A241 HydrophobicContact CG2-CB 4.08Å; V235-A241 HydrophobicContact CG1-CB 4.04Å; H238-A241 HydrophobicContact CB-CB 3.91Å; H238-A241 PolarHBondContact ND1-N 3.19Å; H238-A241 VanDerWaalsContact ND1-N 3.14Å; H238-A241 PolarHBondContact O-N 3.13Å; A241-N243 VanDerWaalsContact C-N 3.35Å; A241-N243 PolarHBondContact O-N 3.35Å; A241-V244 PolarHBondContact O-N 3.21Å; A241-I245 WeakPolarHBondContact O-CG1 3.43Å; A241-I245 PolarHBondContact O-N 3.19Å
242V97.1Very high94.4Very high6 Ų628.2 Ų28.24%0.03615%0.151CC..Hα-helixtrans-63-39.9176.8-172.10000111.4V244 I245 A246 L264 V267 V277 A280V242-V244 PolarHBondContact O-N 2.9Å; V242-I245 PolarHBondContact O-N 3.1Å; V242-A246 PolarHBondContact O-N 2.9Å; V242-L264 HydrophobicContact CG1-CD2 4.08Å; V242-V267 HydrophobicContact CG1-CG1 4.31Å; V242-V267 HydrophobicContact CG2-CG1 4.42Å; V242-V277 HydrophobicContact CG1-CG2 4.45Å; V242-A280 HydrophobicContact CG1-CB 3.9Å
243N96.9Very high94.1Very high34 Ų3430 Ų3018%0.18216%0.164CC..Hα-helixtrans-60.5-45.4175.8-60.912000111.7H240 A241 I245 A246 L247 N283H240-N243 PolarHBondContact O-N 3.25Å; A241-N243 VanDerWaalsContact C-N 3.35Å; A241-N243 PolarHBondContact O-N 3.35Å; N243-I245 VanDerWaalsContact C-N 3.35Å; N243-A246 PolarHBondContact O-N 2.85Å; N243-L247 WeakPolarHBondContact O-CG 3.48Å; N243-L247 PolarHBondContact O-N 3.34Å; N243-N283 PolarHBondContact ND2-OD1 3.33Å
244V97Very high94.1Very high6 Ų630.6 Ų30.64%0.03616%0.16CC..Hα-helixtrans-67.3-35.8178.1170.70000111.4V115 V118 H240 A241 V242 C248V115-V244 HydrophobicContact CG1-CB 4.29Å; V115-V244 HydrophobicContact CG1-CG1 4.45Å; V115-V244 HydrophobicContact CG1-CG2 3.99Å; V118-V244 HydrophobicContact CB-CG1 3.92Å; V118-V244 HydrophobicContact CG1-CG1 3.53Å; H240-V244 WeakPolarHBondContact O-CB 3.48Å; H240-V244 VanDerWaalsContact O-CG2 3.31Å; H240-V244 WeakPolarHBondContact O-CG2 3.29Å; H240-V244 PolarHBondContact O-N 2.74Å; A241-V244 PolarHBondContact O-N 3.21Å; V242-V244 PolarHBondContact O-N 2.9Å; V244-C248 PolarHBondContact O-N 2.82Å; V244-C248 PolarHBondContact O-SG 3.14Å
245I97.6Very high94Very high3 Ų334.3 Ų34.32%0.01518%0.177CC..Hα-helixtrans-62.2-46.9170.8-68.7165.8000110.3F222 L226 V235 A241 V242 N243 L247 C248 V260 L263 L264F222-I245 HydrophobicContact CB-CD1 4.11Å; F222-I245 HydrophobicContact CB-CG1 4.35Å; F222-I245 HydrophobicContact CD1-CD1 4.12Å; F222-I245 HydrophobicContact CD1-CG1 4.39Å; F222-I245 HydrophobicContact CD2-CD1 4.32Å; F222-I245 HydrophobicContact CD2-CG1 3.79Å; F222-I245 HydrophobicContact CE2-CG1 4.12Å; F222-I245 HydrophobicContact CG-CD1 3.96Å; F222-I245 HydrophobicContact CG-CG1 3.95Å; L226-I245 HydrophobicContact CD1-CD1 4.29Å; V235-I245 HydrophobicContact CG1-CD1 4.39Å; A241-I245 WeakPolarHBondContact O-CG1 3.43Å; A241-I245 PolarHBondContact O-N 3.19Å; V242-I245 PolarHBondContact O-N 3.1Å; N243-I245 VanDerWaalsContact C-N 3.35Å; I245-L247 PolarHBondContact O-N 3.46Å; I245-C248 VanDerWaalsContact O-CB 3.24Å; I245-C248 WeakPolarHBondContact O-CB 3.45Å; I245-C248 PolarHBondContact O-N 3.03Å; I245-C248 VanDerWaalsContact O-N 3.08Å; I245-V260 HydrophobicContact CG2-CG1 4.19Å; I245-V260 WeakPolarHBondContact O-CG1 3.5Å; I245-L263 HydrophobicContact CG2-CB 4.22Å; I245-L263 HydrophobicContact CG2-CD1 4.13Å; I245-L264 HydrophobicContact CG2-CD2 4.05Å; I245-L264 HydrophobicContact CG2-CG 4.22Å
246A97.5Very high93.9Very high0 Ų034.4 Ų34.40%018%0.178CC..Hα-helixtrans-61.2-43.5177.600000112.9V242 N243 C248 L249 L264 A280 F284V242-A246 PolarHBondContact O-N 2.9Å; N243-A246 PolarHBondContact O-N 2.85Å; A246-C248 PolarHBondContact O-N 2.69Å; A246-C248 VanDerWaalsContact O-N 3.11Å; A246-L249 WeakPolarHBondContact O-CB 3.36Å; A246-L249 WeakPolarHBondContact O-CG 3.39Å; A246-L249 PolarHBondContact O-N 3.27Å; A246-L264 HydrophobicContact CB-CD1 4.3Å; A246-L264 HydrophobicContact CB-CD2 4.46Å; A246-A280 HydrophobicContact CB-CB 4.06Å; A246-F284 WeakPolarHBondContact O-CE2 3.27Å
247L96Very high94.1Very high3 Ų334 Ų342%0.01618%0.176CC..Hα-helixtrans-58-25.6174.8-72170.9000113I122 M126 N243 I245 L249 L250 F284 E287 V288I122-L247 WeakPolarHBondContact CD1-O 3.3Å; I122-L247 HydrophobicContact CG1-CB 4.05Å; I122-L247 WeakPolarHBondContact CG1-O 3.41Å; I122-L247 HydrophobicContact CG2-CB 4.01Å; I122-L247 HydrophobicContact CG2-CD1 4.31Å; M126-L247 HydrophobicContact CE-CD2 4.42Å; M126-L247 HydrophobicContact SD-CD2 4.07Å; N243-L247 WeakPolarHBondContact O-CG 3.48Å; N243-L247 PolarHBondContact O-N 3.34Å; I245-L247 PolarHBondContact O-N 3.46Å; L247-L249 PolarHBondContact O-N 2.72Å; L247-L249 VanDerWaalsContact O-N 3.15Å; L247-L250 WeakPolarHBondContact O-CB 3.22Å; L247-L250 WeakPolarHBondContact O-CG 3.41Å; L247-L250 PolarHBondContact O-N 3Å; L247-L250 VanDerWaalsContact O-N 3.1Å; L247-F284 HydrophobicContact CD2-CD2 3.87Å; L247-F284 HydrophobicContact CD2-CE2 4.4Å; L247-F284 HydrophobicContact CD2-CG 4.49Å; L247-F284 HydrophobicContact CG-CD2 4.47Å; L247-E287 HydrophobicContact CD2-CB 4.05Å; L247-V288 HydrophobicContact CD2-CG2 4.02Å
248C96.1Very high94.2Very high0 Ų027.5 Ų27.50%015%0.146CC..G310 helixtrans-65.2-13176-64.10000114V118 V219 V244 I245 A246 L250 H251 V260V118-C248 VanDerWaalsContact CG1-SG 3.53Å; V219-C248 HydrophobicContact CG2-CB 3.87Å; V244-C248 PolarHBondContact O-N 2.82Å; V244-C248 PolarHBondContact O-SG 3.14Å; I245-C248 VanDerWaalsContact O-CB 3.24Å; I245-C248 WeakPolarHBondContact O-CB 3.45Å; I245-C248 PolarHBondContact O-N 3.03Å; I245-C248 VanDerWaalsContact O-N 3.08Å; A246-C248 PolarHBondContact O-N 2.69Å; A246-C248 VanDerWaalsContact O-N 3.11Å; C248-L250 PolarHBondContact O-N 3.26Å; C248-L250 VanDerWaalsContact O-N 3.14Å; C248-H251 WeakPolarHBondContact O-CB 3.4Å; C248-H251 PolarHBondContact O-N 3.5Å; C248-V260 HydrophobicContact CB-CG2 3.58Å
249L95Very high94.3Very high3 Ų327 Ų272%0.01614%0.144CC..G310 helixtrans-57.1-23.6168.4-70.6174.4000112.9A246 L247 H251 K257 V260 L261 L264 F281 F284A246-L249 WeakPolarHBondContact O-CB 3.36Å; A246-L249 WeakPolarHBondContact O-CG 3.39Å; A246-L249 PolarHBondContact O-N 3.27Å; L247-L249 PolarHBondContact O-N 2.72Å; L247-L249 VanDerWaalsContact O-N 3.15Å; L249-H251 PolarHBondContact O-N 3.46Å; L249-K257 HydrophobicContact CD2-CB 4.35Å; L249-K257 VanDerWaalsContact O-CE 3.28Å; L249-K257 WeakPolarHBondContact O-CE 3.39Å; L249-V260 HydrophobicContact CD2-CB 4Å; L249-V260 HydrophobicContact CD2-CG1 3.66Å; L249-V260 HydrophobicContact CG-CG1 3.72Å; L249-L261 HydrophobicContact CD2-CD2 3.99Å; L249-L261 HydrophobicContact CD2-CG 3.89Å; L249-L264 HydrophobicContact CD1-CD1 4.49Å; L249-F281 HydrophobicContact CD1-CE1 3.76Å; L249-F281 HydrophobicContact CD1-CZ 3.64Å; L249-F284 HydrophobicContact CB-CE2 4.16Å; L249-F284 HydrophobicContact CB-CZ 4.46Å
250L92Very high94.4Very high1 Ų122.4 Ų22.41%0.00512%0.115CC..G310 helixtrans-72.3-4.6175.6-60.1177.5000113.9I122 M126 K129 F131 L247 C248 F284 V288I122-L250 HydrophobicContact CD1-CB 4.24Å; M126-L250 HydrophobicContact CE-CD1 4.36Å; M126-L250 HydrophobicContact CG-CD1 3.52Å; M126-L250 HydrophobicContact SD-CD1 3.8Å; K129-L250 PolarHBondContact NZ-O 3.04Å; F131-L250 HydrophobicContact CE1-CD2 3.73Å; F131-L250 HydrophobicContact CE2-CD1 4.28Å; F131-L250 HydrophobicContact CZ-CD1 3.76Å; F131-L250 HydrophobicContact CZ-CD2 3.72Å; F131-L250 HydrophobicContact CZ-CG 4.22Å; L247-L250 WeakPolarHBondContact O-CB 3.22Å; L247-L250 WeakPolarHBondContact O-CG 3.41Å; L247-L250 PolarHBondContact O-N 3Å; L247-L250 VanDerWaalsContact O-N 3.1Å; C248-L250 PolarHBondContact O-N 3.26Å; C248-L250 VanDerWaalsContact O-N 3.14Å; L250-F284 HydrophobicContact CD1-CE2 4.44Å; L250-F284 HydrophobicContact CD2-CE1 4.47Å; L250-F284 HydrophobicContact CD2-CE2 4.15Å; L250-F284 HydrophobicContact CD2-CZ 3.58Å; L250-F284 HydrophobicContact CG-CE2 3.91Å; L250-F284 HydrophobicContact CG-CZ 3.88Å; L250-V288 HydrophobicContact CD1-CG1 4.41Å; L250-V288 HydrophobicContact CD1-CG2 3.76Å; L250-V288 HydrophobicContact CD2-CG1 4.15Å; L250-V288 HydrophobicContact CD2-CG2 4.44Å; L250-V288 HydrophobicContact CG-CG2 4.49Å
251H91.3Very high94.6Very high6 Ų617.2 Ų17.23%0.0289%0.091CC..SBendtrans-62.7136.5175.2-172.3-95.3000111.7R212 C248 L249 S253 T256 K257R212-H251 WeakPolarHBondContact CA-NE2 3.24Å; R212-H251 WeakPolarHBondContact CB-NE2 3.11Å; R212-H251 PolarHBondContact O-NE2 3.28Å; C248-H251 WeakPolarHBondContact O-CB 3.4Å; C248-H251 PolarHBondContact O-N 3.5Å; L249-H251 PolarHBondContact O-N 3.46Å; H251-S253 PolarHBondContact ND1-N 3.27Å; H251-S253 VanDerWaalsContact ND1-N 3.17Å; H251-S253 PolarHBondContact O-N 2.94Å; H251-T256 HydrophobicContact CB-CG2 3.89Å; H251-T256 PolarHBondContact CE1-OG1 3.45Å; H251-T256 VanDerWaalsContact CE1-OG1 3.27Å; H251-T256 WeakPolarHBondContact ND1-CB 3.16Å; H251-T256 PolarHBondContact ND1-OG1 2.94Å; H251-K257 PolarHBondContact O-NZ 2.97Å
252P84.6Confident94.5Very high50 Ų5019.1 Ų19.133%0.32510%0.1SC..SBendtrans-61.8-43.4-176.521.7-33.3000114R212 Y254 K257R212-P252 HydrophobicContact CG-CG 4.11Å; P252-Y254 PolarHBondContact O-N 3.08Å; P252-K257 PolarHBondContact O-NZ 3.45Å; P252-K257 VanDerWaalsContact O-NZ 3.11Å
253S88Confident94.5Very high42 Ų4218.9 Ų18.929%0.29410%0.098SC..  trans-68.6127.1-178.2175.80000112.3H251 Q255 T256 K257H251-S253 PolarHBondContact ND1-N 3.27Å; H251-S253 VanDerWaalsContact ND1-N 3.17Å; H251-S253 PolarHBondContact O-N 2.94Å; S253-Q255 VanDerWaalsContact C-N 3.28Å; S253-Q255 PolarHBondContact O-N 3.5Å; S253-Q255 PolarHBondContact OG-N 2.97Å; S253-T256 WeakPolarHBondContact O-CB 3.44Å; S253-T256 PolarHBondContact O-N 2.97Å; S253-T256 VanDerWaalsContact O-N 3.08Å; S253-K257 PolarHBondContact O-N 2.96Å
254Y91.3Very high94.5Very high50 Ų5017.3 Ų17.320%0.1969%0.09CC..Hα-helixtrans-59.2-35.7173.1-70.1-74000112.7P252 T256 K257 T258 H304 F315P252-Y254 PolarHBondContact O-N 3.08Å; Y254-T256 PolarHBondContact O-N 3.24Å; Y254-T256 VanDerWaalsContact O-N 3.12Å; Y254-K257 HydrophobicContact CD1-CD 4.11Å; Y254-K257 HydrophobicContact CE1-CD 4.44Å; Y254-K257 CarbonylContact O-C 3.57Å; Y254-K257 WeakPolarHBondContact O-CA 3.45Å; Y254-K257 WeakPolarHBondContact O-CB 3.35Å; Y254-K257 PolarHBondContact O-N 3.5Å; Y254-T258 PolarHBondContact O-N 3.32Å; Y254-T258 PolarHBondContact O-OG1 3.47Å; Y254-H304 AromaticContact CD1-ND1 3.68Å; Y254-H304 AromaticContact CD2-CE1 3.79Å; Y254-H304 AromaticContact CD2-ND1 3.66Å; Y254-H304 HydrophobicContact CE1-CB 4.23Å; Y254-H304 AromaticContact CE1-ND1 3.46Å; Y254-H304 WeakPolarHBondContact CE1-ND1 3.43Å; Y254-H304 AromaticContact CE2-CE1 4Å; Y254-H304 AromaticContact CE2-ND1 3.42Å; Y254-H304 WeakPolarHBondContact CE2-ND1 3.45Å; Y254-H304 AromaticContact CG-CE1 3.81Å; Y254-H304 AromaticContact CG-ND1 3.79Å; Y254-H304 AromaticContact CZ-ND1 3.3Å; Y254-H304 VanDerWaalsContact CZ-ND1 3.3Å; Y254-F315 AromaticContact CD1-CD1 3.62Å; Y254-F315 HydrophobicContact CD1-CD1 3.62Å; Y254-F315 HydrophobicContact CD1-CD2 4.07Å; Y254-F315 AromaticContact CD1-CE1 3.66Å; Y254-F315 HydrophobicContact CD1-CE1 3.66Å; Y254-F315 HydrophobicContact CD1-CE2 4.12Å; Y254-F315 AromaticContact CD1-CG 3.84Å; Y254-F315 HydrophobicContact CD1-CG 3.84Å; Y254-F315 AromaticContact CD1-CZ 3.92Å; Y254-F315 HydrophobicContact CD1-CZ 3.92Å; Y254-F315 HydrophobicContact CE1-CD1 4.1Å; Y254-F315 AromaticContact CE1-CE1 3.77Å; Y254-F315 HydrophobicContact CE1-CE1 3.77Å; Y254-F315 HydrophobicContact CE1-CZ 4.12Å; Y254-F315 HydrophobicContact CG-CD1 4.48Å; Y254-F315 HydrophobicContact CG-CG 4.47Å
255Q92.5Very high94.4Very high126 Ų12617 Ų1759%0.5899%0.088SC*.Hα-helixtrans-57.4-30.1174.7-65176.3-17.400112.9S253 L259S253-Q255 VanDerWaalsContact C-N 3.28Å; S253-Q255 PolarHBondContact O-N 3.5Å; S253-Q255 PolarHBondContact OG-N 2.97Å; Q255-L259 PolarHBondContact O-N 3.41Å
256T94.1Very high94.2Very high1 Ų117 Ų171%0.0069%0.088CC..Hα-helixtrans-79.5-36.6175.7-45.20000111.3H216 V219 H251 S253 Y254 L259 V260H216-T256 HydrophobicContact CB-CG2 4.32Å; H216-T256 PolarHBondContact ND1-OG1 3.21Å; V219-T256 HydrophobicContact CG2-CG2 4.26Å; H251-T256 HydrophobicContact CB-CG2 3.89Å; H251-T256 PolarHBondContact CE1-OG1 3.45Å; H251-T256 VanDerWaalsContact CE1-OG1 3.27Å; H251-T256 WeakPolarHBondContact ND1-CB 3.16Å; H251-T256 PolarHBondContact ND1-OG1 2.94Å; S253-T256 WeakPolarHBondContact O-CB 3.44Å; S253-T256 PolarHBondContact O-N 2.97Å; S253-T256 VanDerWaalsContact O-N 3.08Å; Y254-T256 PolarHBondContact O-N 3.24Å; Y254-T256 VanDerWaalsContact O-N 3.12Å; T256-L259 PolarHBondContact O-N 3.4Å; T256-V260 VanDerWaalsContact O-CG2 3.28Å; T256-V260 WeakPolarHBondContact O-CG2 3.49Å; T256-V260 PolarHBondContact O-N 2.93Å
257K95.4Very high94Very high7 Ų717 Ų173%0.039%0.088CC..Hα-helixtrans-63-44.6172.6-59-171.3-175.764.20111.3L249 H251 P252 S253 Y254 L259 V260 L261 Y300 F315L249-K257 HydrophobicContact CD2-CB 4.35Å; L249-K257 VanDerWaalsContact O-CE 3.28Å; L249-K257 WeakPolarHBondContact O-CE 3.39Å; H251-K257 PolarHBondContact O-NZ 2.97Å; P252-K257 PolarHBondContact O-NZ 3.45Å; P252-K257 VanDerWaalsContact O-NZ 3.11Å; S253-K257 PolarHBondContact O-N 2.96Å; Y254-K257 HydrophobicContact CD1-CD 4.11Å; Y254-K257 HydrophobicContact CE1-CD 4.44Å; Y254-K257 CarbonylContact O-C 3.57Å; Y254-K257 WeakPolarHBondContact O-CA 3.45Å; Y254-K257 WeakPolarHBondContact O-CB 3.35Å; Y254-K257 PolarHBondContact O-N 3.5Å; K257-L259 PolarHBondContact O-N 3.47Å; K257-V260 PolarHBondContact O-N 3.4Å; K257-L261 WeakPolarHBondContact O-CB 3.15Å; K257-L261 VanDerWaalsContact O-CG 3.3Å; K257-L261 WeakPolarHBondContact O-CG 3.25Å; K257-L261 PolarHBondContact O-N 3.45Å; K257-Y300 HydrophobicContact CD-CD2 3.8Å; K257-Y300 HydrophobicContact CD-CE2 4.26Å; K257-Y300 HydrophobicContact CD-CG 4.33Å; K257-Y300 VanDerWaalsContact CE-CE2 3.49Å; K257-F315 HydrophobicContact CB-CD2 3.85Å; K257-F315 HydrophobicContact CB-CE2 3.55Å; K257-F315 HydrophobicContact CD-CE2 3.79Å; K257-F315 HydrophobicContact CD-CZ 4.11Å; K257-F315 HydrophobicContact CG-CE2 4.35Å
258T95.6Very high93.9Very high10 Ų1017 Ų176%0.0619%0.089CC..Hα-helixtrans-51.4-54172.7-53.70000110.5Y254 V260 L261 E262 D314 F315 S318Y254-T258 PolarHBondContact O-N 3.32Å; Y254-T258 PolarHBondContact O-OG1 3.47Å; T258-V260 PolarHBondContact O-N 3.05Å; T258-L261 PolarHBondContact O-N 3.45Å; T258-E262 WeakPolarHBondContact O-CG 3.3Å; T258-E262 PolarHBondContact O-N 3.46Å; T258-D314 HydrophobicContact CG2-CB 4.18Å; T258-F315 WeakPolarHBondContact OG1-CA 3.47Å; T258-F315 WeakPolarHBondContact OG1-CB 3.15Å; T258-S318 WeakPolarHBondContact CG2-OG 3.28Å
259L96.2Very high93.6Very high13 Ų1317.1 Ų17.17%0.0689%0.089CC..Hα-helixtrans-59.5-45178179.161.9000112.4V219 R220 R223 Q255 T256 K257 L261 E262 L263V219-L259 HydrophobicContact CB-CD2 4.06Å; V219-L259 HydrophobicContact CG1-CD2 3.61Å; V219-L259 HydrophobicContact CG1-CG 3.74Å; R220-L259 HydrophobicContact CG-CD2 3.79Å; R223-L259 HydrophobicContact CB-CD1 4.38Å; R223-L259 HydrophobicContact CG-CD1 4.34Å; Q255-L259 PolarHBondContact O-N 3.41Å; T256-L259 PolarHBondContact O-N 3.4Å; K257-L259 PolarHBondContact O-N 3.47Å; L259-L261 VanDerWaalsContact C-N 3.33Å; L259-L261 PolarHBondContact O-N 2.93Å; L259-E262 WeakPolarHBondContact O-CB 3.15Å; L259-E262 PolarHBondContact O-N 3.36Å; L259-L263 HydrophobicContact CD1-CD2 4.39Å; L259-L263 WeakPolarHBondContact O-CG 3.23Å; L259-L263 PolarHBondContact O-N 2.91Å
260V97.8Very high93.3Very high0 Ų017.3 Ų17.30%09%0.09CC..Hα-helixtrans-62-40.5177.6172.10000111.6V219 I245 C248 L249 T256 K257 T258 L263 L264V219-V260 HydrophobicContact CG1-CG2 3.77Å; V219-V260 HydrophobicContact CG2-CG2 4.14Å; I245-V260 HydrophobicContact CG2-CG1 4.19Å; I245-V260 WeakPolarHBondContact O-CG1 3.5Å; C248-V260 HydrophobicContact CB-CG2 3.58Å; L249-V260 HydrophobicContact CD2-CB 4Å; L249-V260 HydrophobicContact CD2-CG1 3.66Å; L249-V260 HydrophobicContact CG-CG1 3.72Å; T256-V260 VanDerWaalsContact O-CG2 3.28Å; T256-V260 WeakPolarHBondContact O-CG2 3.49Å; T256-V260 PolarHBondContact O-N 2.93Å; K257-V260 PolarHBondContact O-N 3.4Å; T258-V260 PolarHBondContact O-N 3.05Å; V260-L263 PolarHBondContact O-N 2.96Å; V260-L264 HydrophobicContact CG1-CD1 3.84Å; V260-L264 HydrophobicContact CG1-CG 4.35Å; V260-L264 WeakPolarHBondContact O-CG 3.31Å; V260-L264 PolarHBondContact O-N 2.76Å
261L97.6Very high93Very high0 Ų021.2 Ų21.20%011%0.114CC..Hα-helixtrans-66.3-40.3175.9-69.5167000111.7L249 K257 T258 L259 L263 L264 T265 L297 F315 C319 F322L249-L261 HydrophobicContact CD2-CD2 3.99Å; L249-L261 HydrophobicContact CD2-CG 3.89Å; K257-L261 WeakPolarHBondContact O-CB 3.15Å; K257-L261 VanDerWaalsContact O-CG 3.3Å; K257-L261 WeakPolarHBondContact O-CG 3.25Å; K257-L261 PolarHBondContact O-N 3.45Å; T258-L261 PolarHBondContact O-N 3.45Å; L259-L261 VanDerWaalsContact C-N 3.33Å; L259-L261 PolarHBondContact O-N 2.93Å; L261-L263 VanDerWaalsContact C-N 3.34Å; L261-L263 PolarHBondContact O-N 3.21Å; L261-L264 PolarHBondContact O-N 3.49Å; L261-T265 VanDerWaalsContact O-CB 3.23Å; L261-T265 WeakPolarHBondContact O-CB 3.39Å; L261-T265 PolarHBondContact O-N 2.82Å; L261-T265 PolarHBondContact O-OG1 2.98Å; L261-L297 HydrophobicContact CD1-CD1 4.18Å; L261-L297 HydrophobicContact CD2-CD1 3.9Å; L261-L297 HydrophobicContact CD2-CD2 4Å; L261-F315 HydrophobicContact CD1-CD2 4.28Å; L261-F315 HydrophobicContact CD1-CE2 3.92Å; L261-C319 HydrophobicContact CD1-CB 4.43Å; L261-C319 WeakPolarHBondContact CD1-SG 3.48Å; L261-F322 HydrophobicContact CD2-CB 4.05Å; L261-F322 HydrophobicContact CD2-CD1 4.07Å; L261-F322 HydrophobicContact CD2-CD2 4.44Å; L261-F322 HydrophobicContact CD2-CG 3.9Å
262E95.4Very high92.8Very high41 Ų4123 Ų2319%0.19213%0.134CC..Hα-helixtrans-56.8-46.7170.8-72.6174.6-169.300111.2R223 T258 L259 T265 V266 L1026R223-E262 IonicContact CZ-OE2 3.65Å; R223-E262 IonicContact NH1-OE2 2.66Å; R223-E262 PolarHBondContact NH1-OE2 3.36Å; R223-E262 IonicContact NH2-OE2 3.83Å; T258-E262 WeakPolarHBondContact O-CG 3.3Å; T258-E262 PolarHBondContact O-N 3.46Å; L259-E262 WeakPolarHBondContact O-CB 3.15Å; L259-E262 PolarHBondContact O-N 3.36Å; E262-T265 PolarHBondContact O-N 3.24Å; E262-V266 WeakPolarHBondContact O-CG2 3.31Å; E262-V266 PolarHBondContact O-N 3.1Å; E262-V266 VanDerWaalsContact O-N 3.17Å; E262-L1026 HydrophobicContact CB-CD1 4.09Å; E262-L1026 HydrophobicContact CB-CD2 3.93Å; E262-L1026 HydrophobicContact CG-CD1 4.49Å; E262-L1026 HydrophobicContact CG-CD2 4.1Å
263L96.8Very high93.1Very high0 Ų020.7 Ų20.70%012%0.119CC..Hα-helixtrans-60.8-50.5177.7-58.6-169.6000111.6V219 F222 R223 L226 I245 L259 V260 L261 T265 V266 V267 M1022V219-L263 HydrophobicContact CG1-CD1 3.8Å; F222-L263 HydrophobicContact CB-CD1 3.94Å; R223-L263 HydrophobicContact CB-CD2 3.77Å; R223-L263 HydrophobicContact CG-CD2 3.85Å; L226-L263 HydrophobicContact CD1-CB 4.18Å; L226-L263 HydrophobicContact CD1-CD1 4.23Å; L226-L263 HydrophobicContact CD1-CD2 4.19Å; L226-L263 HydrophobicContact CD1-CG 4.41Å; I245-L263 HydrophobicContact CG2-CB 4.22Å; I245-L263 HydrophobicContact CG2-CD1 4.13Å; L259-L263 HydrophobicContact CD1-CD2 4.39Å; L259-L263 WeakPolarHBondContact O-CG 3.23Å; L259-L263 PolarHBondContact O-N 2.91Å; V260-L263 PolarHBondContact O-N 2.96Å; L261-L263 VanDerWaalsContact C-N 3.34Å; L261-L263 PolarHBondContact O-N 3.21Å; L263-T265 VanDerWaalsContact C-N 3.34Å; L263-T265 PolarHBondContact O-N 3.24Å; L263-V266 PolarHBondContact O-N 3.28Å; L263-V267 VanDerWaalsContact O-CG2 3.26Å; L263-V267 WeakPolarHBondContact O-CG2 3.43Å; L263-V267 PolarHBondContact O-N 3.31Å; L263-M1022 HydrophobicContact CB-CE 4.32Å; L263-M1022 HydrophobicContact CD2-CE 3.5Å; L263-M1022 HydrophobicContact CD2-SD 3.49Å; L263-M1022 WeakPolarHBondContact CD2-SD 3.27Å; L263-M1022 HydrophobicContact CG-CE 4.5Å
264L97.3Very high93.3Very high1 Ų119.9 Ų19.91%0.00511%0.111CC..Hα-helixtrans-66-35.2-178-66.8170.8000112.3V242 I245 A246 L249 V260 L261 V267 C268 V277 F281 F322V242-L264 HydrophobicContact CG1-CD2 4.08Å; I245-L264 HydrophobicContact CG2-CD2 4.05Å; I245-L264 HydrophobicContact CG2-CG 4.22Å; A246-L264 HydrophobicContact CB-CD1 4.3Å; A246-L264 HydrophobicContact CB-CD2 4.46Å; L249-L264 HydrophobicContact CD1-CD1 4.49Å; V260-L264 HydrophobicContact CG1-CD1 3.84Å; V260-L264 HydrophobicContact CG1-CG 4.35Å; V260-L264 WeakPolarHBondContact O-CG 3.31Å; V260-L264 PolarHBondContact O-N 2.76Å; L261-L264 PolarHBondContact O-N 3.49Å; L264-V267 PolarHBondContact O-N 3.5Å; L264-C268 WeakPolarHBondContact O-CB 3.35Å; L264-C268 PolarHBondContact O-N 3.5Å; L264-V277 HydrophobicContact CD2-CG2 4.34Å; L264-F281 HydrophobicContact CD1-CE2 3.98Å; L264-F281 HydrophobicContact CD1-CZ 4.16Å; L264-F322 HydrophobicContact CB-CD2 4.21Å; L264-F322 HydrophobicContact CB-CE2 3.9Å
265T94.8Very high93.4Very high0 Ų023.6 Ų23.60%013%0.13CC..Hα-helixtrans-62-44.5175.8-59.30000111.1L261 E262 L263 C268 L269 Q321 I325 L1029L261-T265 VanDerWaalsContact O-CB 3.23Å; L261-T265 WeakPolarHBondContact O-CB 3.39Å; L261-T265 PolarHBondContact O-N 2.82Å; L261-T265 PolarHBondContact O-OG1 2.98Å; E262-T265 PolarHBondContact O-N 3.24Å; L263-T265 VanDerWaalsContact C-N 3.34Å; L263-T265 PolarHBondContact O-N 3.24Å; T265-C268 WeakPolarHBondContact O-CB 3.46Å; T265-C268 PolarHBondContact O-N 2.95Å; T265-L269 PolarHBondContact O-N 2.94Å; T265-Q321 HydrophobicContact CG2-CG 4.13Å; T265-I325 HydrophobicContact CG2-CB 4.07Å; T265-I325 HydrophobicContact CG2-CG1 3.58Å; T265-I325 HydrophobicContact CG2-CG2 4.34Å; T265-L1029 HydrophobicContact CG2-CD1 3.64Å
266V92.5Very high93.5Very high2 Ų222.4 Ų22.41%0.01212%0.12CC..Hα-helixtrans-67.5-46.7176.1173.70000111.4E262 L263 C268 L269 I270 M1022 I1025 L1026E262-V266 WeakPolarHBondContact O-CG2 3.31Å; E262-V266 PolarHBondContact O-N 3.1Å; E262-V266 VanDerWaalsContact O-N 3.17Å; L263-V266 PolarHBondContact O-N 3.28Å; V266-C268 PolarHBondContact O-N 3.41Å; V266-L269 PolarHBondContact O-N 3.31Å; V266-L269 VanDerWaalsContact O-N 3.12Å; V266-I270 HydrophobicContact CG1-CD1 4.28Å; V266-I270 PolarHBondContact O-N 3.41Å; V266-M1022 HydrophobicContact CB-CE 3.62Å; V266-M1022 HydrophobicContact CG1-CB 4.08Å; V266-M1022 HydrophobicContact CG1-CE 3.74Å; V266-M1022 HydrophobicContact CG1-CG 4.39Å; V266-M1022 HydrophobicContact CG2-CE 3.95Å; V266-M1022 HydrophobicContact CG2-CG 4.26Å; V266-I1025 HydrophobicContact CB-CG2 4.46Å; V266-I1025 HydrophobicContact CG1-CB 4.37Å; V266-I1025 HydrophobicContact CG1-CD1 3.85Å; V266-I1025 HydrophobicContact CG1-CG2 4.36Å; V266-I1025 HydrophobicContact CG2-CB 4.21Å; V266-I1025 HydrophobicContact CG2-CG2 3.93Å; V266-L1026 HydrophobicContact CG2-CD1 4.15Å; V266-L1026 HydrophobicContact CG2-CD2 3.68Å; V266-L1026 HydrophobicContact CG2-CG 3.55Å
267V94.4Very high93.6Very high2 Ų222.3 Ų22.31%0.01212%0.12CC..Hα-helixtrans-56-40.6176.7170.80000110.4L226 F236 V242 L263 L264 L269 I270 G273 V277L226-V267 HydrophobicContact CD1-CG2 4.17Å; L226-V267 HydrophobicContact CD2-CG2 4.06Å; F236-V267 HydrophobicContact CE2-CB 4.44Å; F236-V267 HydrophobicContact CE2-CG1 3.98Å; F236-V267 HydrophobicContact CE2-CG2 4.12Å; F236-V267 HydrophobicContact CZ-CB 4.29Å; F236-V267 HydrophobicContact CZ-CG1 3.69Å; F236-V267 HydrophobicContact CZ-CG2 4.46Å; V242-V267 HydrophobicContact CG1-CG1 4.31Å; V242-V267 HydrophobicContact CG2-CG1 4.42Å; L263-V267 VanDerWaalsContact O-CG2 3.26Å; L263-V267 WeakPolarHBondContact O-CG2 3.43Å; L263-V267 PolarHBondContact O-N 3.31Å; L264-V267 PolarHBondContact O-N 3.5Å; V267-L269 VanDerWaalsContact C-N 3.27Å; V267-L269 PolarHBondContact O-N 3.33Å; V267-I270 PolarHBondContact O-N 2.96Å; V267-G273 CarbonylContact O-C 2.9Å; V267-G273 VanDerWaalsContact O-CA 3.28Å; V267-G273 WeakPolarHBondContact O-CA 3.46Å; V267-V277 HydrophobicContact CB-CG2 4.18Å; V267-V277 HydrophobicContact CG1-CG2 3.72Å
268C93.7Very high93.6Very high3 Ų322.6 Ų22.62%0.0212%0.121CC..Hα-helixtrans-62.7-26.8180-163.20000114.3L264 T265 V266 H274 V277 I325L264-C268 WeakPolarHBondContact O-CB 3.35Å; L264-C268 PolarHBondContact O-N 3.5Å; T265-C268 WeakPolarHBondContact O-CB 3.46Å; T265-C268 PolarHBondContact O-N 2.95Å; V266-C268 PolarHBondContact O-N 3.41Å; C268-H274 PolarHBondContact O-N 3.02Å; C268-H274 PolarHBondContact SG-CD2 2.81Å; C268-V277 HydrophobicContact CB-CG2 4.12Å; C268-I325 HydrophobicContact CB-CG2 3.8Å
269L90.3Very high93.7Very high2 Ų226 Ų261%0.0114%0.139CC..Hα-helixtrans-90.5-11.9178.3-70.2173.7000114.2T265 V266 V267 I325 R1012 R1014 I1025 L1029T265-L269 PolarHBondContact O-N 2.94Å; V266-L269 PolarHBondContact O-N 3.31Å; V266-L269 VanDerWaalsContact O-N 3.12Å; V267-L269 VanDerWaalsContact C-N 3.27Å; V267-L269 PolarHBondContact O-N 3.33Å; L269-I325 HydrophobicContact CD1-CD1 4.3Å; L269-I325 HydrophobicContact CD1-CG1 4.48Å; L269-I325 HydrophobicContact CD1-CG2 4.41Å; L269-I325 HydrophobicContact CD2-CD1 4.21Å; L269-I325 HydrophobicContact CD2-CG2 3.81Å; L269-I325 HydrophobicContact CG-CG2 3.73Å; L269-R1012 WeakPolarHBondContact CD2-O 3.24Å; L269-R1014 PolarHBondContact O-N 3.04Å; L269-I1025 HydrophobicContact CD1-CG2 3.79Å; L269-L1029 HydrophobicContact CD1-CD1 3.7Å; L269-L1029 HydrophobicContact CD1-CD2 4.08Å; L269-L1029 HydrophobicContact CD1-CG 4.22Å
270I88.5Confident93.7Very high7 Ų725.3 Ų25.34%0.03614%0.136CC..BIsolated β-bridgetrans-78.5141.5175.9-65.7168.1000108.7F236 V266 V267 G272 G273 R1014 I1016F236-I270 HydrophobicContact CD1-CG2 4.47Å; F236-I270 HydrophobicContact CE1-CB 4Å; F236-I270 HydrophobicContact CE1-CG2 3.62Å; F236-I270 HydrophobicContact CE2-CD1 4.04Å; F236-I270 HydrophobicContact CE2-CG2 4.41Å; F236-I270 HydrophobicContact CZ-CB 3.63Å; F236-I270 HydrophobicContact CZ-CD1 3.92Å; F236-I270 HydrophobicContact CZ-CG1 4.36Å; F236-I270 HydrophobicContact CZ-CG2 3.61Å; V266-I270 HydrophobicContact CG1-CD1 4.28Å; V266-I270 PolarHBondContact O-N 3.41Å; V267-I270 PolarHBondContact O-N 2.96Å; I270-G272 PolarHBondContact O-N 3.49Å; I270-G273 WeakPolarHBondContact O-CA 3.32Å; I270-G273 PolarHBondContact O-N 3.5Å; I270-R1014 CarbonylContact C-O 3.48Å; I270-R1014 VanDerWaalsContact CA-O 3.29Å; I270-R1014 WeakPolarHBondContact CA-O 3.48Å; I270-I1016 HydrophobicContact CG2-CD1 4.13Å; I270-I1016 HydrophobicContact CG2-CG1 3.76Å
271T85.6Confident93.7Very high82 Ų8225.4 Ų25.450%0.50314%0.136SC..THydrogen-bonded Turntrans-50.3123.3179.6-51.90000111.9G273 T1013 R1014T271-G273 PolarHBondContact O-N 2.67Å; T271-T1013 HydrophobicContact CG2-CG2 4.45Å; T271-T1013 WeakPolarHBondContact OG1-CG2 3.44Å; T271-R1014 PolarHBondContact N-O 3.42Å; T271-R1014 PolarHBondContact OG1-O 3.36Å
272G85.9Confident93.6Very high45 Ų4527.6 Ų27.646%0.46415%0.148SC..THydrogen-bonded Turntrans75.83.4-176.700000115.2I270 R276I270-G272 PolarHBondContact O-N 3.49Å; G272-R276 WeakPolarHBondContact O-CD 3.32Å; G272-R276 WeakPolarHBondContact O-CG 3.41Å
273G90.9Very high93.6Very high0 Ų027.5 Ų27.50%015%0.149CC..Hα-helixtrans-86.6-28.7179.400000114.7V267 I270 T271 R276 V277V267-G273 CarbonylContact O-C 2.9Å; V267-G273 VanDerWaalsContact O-CA 3.28Å; V267-G273 WeakPolarHBondContact O-CA 3.46Å; I270-G273 WeakPolarHBondContact O-CA 3.32Å; I270-G273 PolarHBondContact O-N 3.5Å; T271-G273 PolarHBondContact O-N 2.67Å; G273-R276 WeakPolarHBondContact O-CB 3.2Å; G273-R276 PolarHBondContact O-N 3.44Å; G273-V277 WeakPolarHBondContact O-CG2 3.48Å; G273-V277 PolarHBondContact O-N 2.99Å
274H93.1Very high93.5Very high26 Ų2627.7 Ų27.712%0.1215%0.149CC..Hα-helixtrans-55.5-53.3175.1-178.1-84.2000112C268 R276 V277 L278 V326 S329C268-H274 PolarHBondContact O-N 3.02Å; C268-H274 PolarHBondContact SG-CD2 2.81Å; H274-R276 VanDerWaalsContact C-N 3.29Å; H274-R276 PolarHBondContact O-N 3.45Å; H274-V277 PolarHBondContact O-N 3.05Å; H274-V277 VanDerWaalsContact O-N 3.1Å; H274-L278 PolarHBondContact O-N 3.16Å; H274-V326 PolarHBondContact NE2-O 3.26Å; H274-S329 PolarHBondContact CD2-OG 2.97Å
275E93Very high93.4Very high128 Ų12831 Ų3160%0.59816%0.164SC*.Hα-helixtrans-58.2-40.3176.4-163.2-152136.800111.9V277 L278 N279E275-V277 VanDerWaalsContact C-N 3.35Å; E275-V277 PolarHBondContact O-N 2.91Å; E275-L278 PolarHBondContact O-N 3.35Å; E275-N279 VanDerWaalsContact O-CB 3.31Å; E275-N279 WeakPolarHBondContact O-CB 3.36Å; E275-N279 VanDerWaalsContact O-CG 3.3Å; E275-N279 PolarHBondContact O-N 3.34Å; E275-N279 PolarHBondContact O-ND2 2.93Å; E275-N279 PolarHBondContact OE1-ND2 3.11Å; E275-N279 VanDerWaalsContact OE1-ND2 3.14Å
276R93.9Very high93.3Very high100 Ų10039.1 Ų39.138%0.37720%0.199SC..Hα-helixtrans-65.7-35.6177.4-68.8171.7175.6-90.210.1112.6F236 G272 G273 H274 A280F236-R276 PolarHBondContact O-NH1 3.32Å; F236-R276 PolarHBondContact O-NH2 2.87Å; G272-R276 WeakPolarHBondContact O-CD 3.32Å; G272-R276 WeakPolarHBondContact O-CG 3.41Å; G273-R276 WeakPolarHBondContact O-CB 3.2Å; G273-R276 PolarHBondContact O-N 3.44Å; H274-R276 VanDerWaalsContact C-N 3.29Å; H274-R276 PolarHBondContact O-N 3.45Å; R276-A280 VanDerWaalsContact O-CB 3.25Å; R276-A280 WeakPolarHBondContact O-CB 3.44Å; R276-A280 PolarHBondContact O-N 2.92Å
277V96.7Very high93.2Very high0 Ų043.3 Ų43.30%022%0.218CC..Hα-helixtrans-69-44.9173.8170.90000110.5V242 L264 V267 C268 G273 H274 E275 A280 F281 F322V242-V277 HydrophobicContact CG1-CG2 4.45Å; L264-V277 HydrophobicContact CD2-CG2 4.34Å; V267-V277 HydrophobicContact CB-CG2 4.18Å; V267-V277 HydrophobicContact CG1-CG2 3.72Å; C268-V277 HydrophobicContact CB-CG2 4.12Å; G273-V277 WeakPolarHBondContact O-CG2 3.48Å; G273-V277 PolarHBondContact O-N 2.99Å; H274-V277 PolarHBondContact O-N 3.05Å; H274-V277 VanDerWaalsContact O-N 3.1Å; E275-V277 VanDerWaalsContact C-N 3.35Å; E275-V277 PolarHBondContact O-N 2.91Å; V277-A280 WeakPolarHBondContact O-CB 3.31Å; V277-A280 PolarHBondContact O-N 3.41Å; V277-F281 HydrophobicContact CG1-CD2 4.03Å; V277-F281 HydrophobicContact CG1-CE2 4.09Å; V277-F281 WeakPolarHBondContact O-CD2 3.48Å; V277-F281 PolarHBondContact O-N 3.43Å; V277-F322 HydrophobicContact CG1-CE2 3.85Å; V277-F322 HydrophobicContact CG1-CZ 3.92Å
278L96.5Very high92.9Very high13 Ų1343.8 Ų43.87%0.06822%0.221CC..Hα-helixtrans-59.1-50.3174.5-67.3-173.9000111.5H274 E275 A280 F281 D282 F294 V326 L335 L339H274-L278 PolarHBondContact O-N 3.16Å; E275-L278 PolarHBondContact O-N 3.35Å; L278-A280 VanDerWaalsContact C-N 3.25Å; L278-A280 PolarHBondContact O-N 3.27Å; L278-F281 CarbonylContact O-C 3.57Å; L278-F281 WeakPolarHBondContact O-CA 3.17Å; L278-F281 PolarHBondContact O-N 3.34Å; L278-D282 PolarHBondContact O-N 3.42Å; L278-F294 HydrophobicContact CD2-CZ 3.98Å; L278-V326 HydrophobicContact CD2-CG2 3.76Å; L278-L335 HydrophobicContact CD1-CD2 4.38Å; L278-L339 HydrophobicContact CD2-CD2 4.17Å
279N96.1Very high92.6Very high80 Ų8045.3 Ų45.343%0.42824%0.238SC..Hα-helixtrans-57.9-35.2175.5-76.5-36.4000112.7E275 D282 N283E275-N279 VanDerWaalsContact O-CB 3.31Å; E275-N279 WeakPolarHBondContact O-CB 3.36Å; E275-N279 VanDerWaalsContact O-CG 3.3Å; E275-N279 PolarHBondContact O-N 3.34Å; E275-N279 PolarHBondContact O-ND2 2.93Å; E275-N279 PolarHBondContact OE1-ND2 3.11Å; E275-N279 VanDerWaalsContact OE1-ND2 3.14Å; N279-D282 PolarHBondContact O-N 3.31Å; N279-N283 WeakPolarHBondContact O-CB 3.48Å; N279-N283 PolarHBondContact O-N 3.13Å
280A97.1Very high92.4Very high0 Ų045.8 Ų45.80%024%0.24CC..Hα-helixtrans-68.7-35.5174.200000112.6V242 A246 R276 V277 L278 N283 F284V242-A280 HydrophobicContact CG1-CB 3.9Å; A246-A280 HydrophobicContact CB-CB 4.06Å; R276-A280 VanDerWaalsContact O-CB 3.25Å; R276-A280 WeakPolarHBondContact O-CB 3.44Å; R276-A280 PolarHBondContact O-N 2.92Å; V277-A280 WeakPolarHBondContact O-CB 3.31Å; V277-A280 PolarHBondContact O-N 3.41Å; L278-A280 VanDerWaalsContact C-N 3.25Å; L278-A280 PolarHBondContact O-N 3.27Å; A280-N283 PolarHBondContact O-N 2.8Å; A280-F284 WeakPolarHBondContact O-CB 3.31Å; A280-F284 PolarHBondContact O-N 3.32Å
281F97.5Very high92.3Very high1 Ų148.5 Ų48.50%0.00426%0.26CS..Hα-helixtrans-75.2-30.6172.2-85.2-82.6000113.1L249 L264 V277 L278 N283 F284 K285 R293 F294 L297 F322L249-F281 HydrophobicContact CD1-CE1 3.76Å; L249-F281 HydrophobicContact CD1-CZ 3.64Å; L264-F281 HydrophobicContact CD1-CE2 3.98Å; L264-F281 HydrophobicContact CD1-CZ 4.16Å; V277-F281 HydrophobicContact CG1-CD2 4.03Å; V277-F281 HydrophobicContact CG1-CE2 4.09Å; V277-F281 WeakPolarHBondContact O-CD2 3.48Å; V277-F281 PolarHBondContact O-N 3.43Å; L278-F281 CarbonylContact O-C 3.57Å; L278-F281 WeakPolarHBondContact O-CA 3.17Å; L278-F281 PolarHBondContact O-N 3.34Å; F281-N283 VanDerWaalsContact C-N 3.34Å; F281-F284 WeakPolarHBondContact O-CB 3.24Å; F281-F284 PolarHBondContact O-N 2.98Å; F281-K285 WeakPolarHBondContact O-CB 3.36Å; F281-K285 PolarHBondContact O-N 3.06Å; F281-R293 HydrophobicContact CB-CB 4.35Å; F281-F294 HydrophobicContact CB-CD1 4.3Å; F281-F294 HydrophobicContact CB-CE1 3.86Å; F281-F294 HydrophobicContact CB-CZ 4.3Å; F281-F294 AromaticContact CD1-CD1 3.42Å; F281-F294 HydrophobicContact CD1-CD1 3.42Å; F281-F294 VanDerWaalsContact CD1-CD1 3.42Å; F281-F294 AromaticContact CD1-CE1 3.68Å; F281-F294 HydrophobicContact CD1-CE1 3.68Å; F281-F294 HydrophobicContact CD1-CG 4.38Å; F281-F294 HydrophobicContact CD2-CD1 4.11Å; F281-F294 AromaticContact CD2-CE1 3.51Å; F281-F294 HydrophobicContact CD2-CE1 3.51Å; F281-F294 HydrophobicContact CD2-CZ 4.44Å; F281-F294 AromaticContact CE1-CD1 3.61Å; F281-F294 HydrophobicContact CE1-CD1 3.61Å; F281-F294 HydrophobicContact CE1-CE1 4.03Å; F281-F294 HydrophobicContact CE2-CD1 4.28Å; F281-F294 AromaticContact CE2-CE1 3.88Å; F281-F294 HydrophobicContact CE2-CE1 3.88Å; F281-F294 AromaticContact CG-CD1 3.68Å; F281-F294 HydrophobicContact CG-CD1 3.68Å; F281-F294 AromaticContact CG-CE1 3.39Å; F281-F294 HydrophobicContact CG-CE1 3.39Å; F281-F294 HydrophobicContact CG-CZ 4.27Å; F281-F294 HydrophobicContact CZ-CD1 4.03Å; F281-F294 HydrophobicContact CZ-CE1 4.11Å; F281-L297 HydrophobicContact CE1-CD2 4.08Å; F281-L297 HydrophobicContact CZ-CD2 3.96Å; F281-F322 HydrophobicContact CD2-CZ 4.2Å; F281-F322 AromaticContact CE2-CE1 3.96Å; F281-F322 HydrophobicContact CE2-CE1 3.96Å; F281-F322 HydrophobicContact CE2-CE2 4.19Å; F281-F322 AromaticContact CE2-CZ 3.39Å; F281-F322 HydrophobicContact CE2-CZ 3.39Å; F281-F322 HydrophobicContact CZ-CE1 4.01Å; F281-F322 AromaticContact CZ-CZ 3.89Å; F281-F322 HydrophobicContact CZ-CZ 3.89Å
282D96Very high92.5Very high47 Ų4747.4 Ų47.425%0.25125%0.253SS..Hα-helixtrans-69.6-32169.9-73.7-49.4000112L278 N279 K286 R293L278-D282 PolarHBondContact O-N 3.42Å; N279-D282 PolarHBondContact O-N 3.31Å; D282-K286 WeakPolarHBondContact O-CD 3.24Å; D282-K286 WeakPolarHBondContact O-CG 3.41Å; D282-K286 PolarHBondContact O-N 3.45Å; D282-R293 IonicContact OD2-NH1 3.31Å; D282-R293 PolarHBondContact OD2-NH1 3.28Å
283N95Very high92.9Very high39 Ų3946.2 Ų46.221%0.20923%0.234CC..Hα-helixtrans-69.2-43.3166.6179.4-111.4000111.9N243 N279 A280 F281 K285 K286 E287N243-N283 PolarHBondContact ND2-OD1 3.33Å; N279-N283 WeakPolarHBondContact O-CB 3.48Å; N279-N283 PolarHBondContact O-N 3.13Å; A280-N283 PolarHBondContact O-N 2.8Å; F281-N283 VanDerWaalsContact C-N 3.34Å; N283-K285 VanDerWaalsContact C-N 3.33Å; N283-K285 PolarHBondContact O-N 3.33Å; N283-K286 PolarHBondContact O-N 2.92Å; N283-K286 VanDerWaalsContact O-N 3.1Å; N283-E287 WeakPolarHBondContact O-CB 3.44Å; N283-E287 WeakPolarHBondContact O-CG 3.3Å; N283-E287 PolarHBondContact O-N 3.02Å
284F95.4Very high93.1Very high3 Ų346.2 Ų46.21%0.01323%0.234CC..Hα-helixtrans-56.9-45.7174.8-170.6-81.3000111.4A246 L247 L249 L250 A280 F281 K286 E287 V288 E290 Y296A246-F284 WeakPolarHBondContact O-CE2 3.27Å; L247-F284 HydrophobicContact CD2-CD2 3.87Å; L247-F284 HydrophobicContact CD2-CE2 4.4Å; L247-F284 HydrophobicContact CD2-CG 4.49Å; L247-F284 HydrophobicContact CG-CD2 4.47Å; L249-F284 HydrophobicContact CB-CE2 4.16Å; L249-F284 HydrophobicContact CB-CZ 4.46Å; L250-F284 HydrophobicContact CD1-CE2 4.44Å; L250-F284 HydrophobicContact CD2-CE1 4.47Å; L250-F284 HydrophobicContact CD2-CE2 4.15Å; L250-F284 HydrophobicContact CD2-CZ 3.58Å; L250-F284 HydrophobicContact CG-CE2 3.91Å; L250-F284 HydrophobicContact CG-CZ 3.88Å; A280-F284 WeakPolarHBondContact O-CB 3.31Å; A280-F284 PolarHBondContact O-N 3.32Å; F281-F284 WeakPolarHBondContact O-CB 3.24Å; F281-F284 PolarHBondContact O-N 2.98Å; F284-K286 VanDerWaalsContact C-N 3.33Å; F284-K286 PolarHBondContact O-N 3.19Å; F284-E287 PolarHBondContact O-N 3.47Å; F284-V288 HydrophobicContact CD1-CB 4.3Å; F284-V288 HydrophobicContact CD1-CG2 3.85Å; F284-V288 HydrophobicContact CD2-CG2 4.19Å; F284-V288 HydrophobicContact CE1-CB 4.2Å; F284-V288 HydrophobicContact CE1-CG1 4.44Å; F284-V288 HydrophobicContact CE1-CG2 3.8Å; F284-V288 HydrophobicContact CE2-CG2 4.15Å; F284-V288 HydrophobicContact CG-CG2 4.04Å; F284-V288 HydrophobicContact CZ-CG2 3.97Å; F284-V288 VanDerWaalsContact O-CB 3.32Å; F284-V288 WeakPolarHBondContact O-CB 3.29Å; F284-V288 VanDerWaalsContact O-CG2 3.26Å; F284-V288 WeakPolarHBondContact O-CG2 3.37Å; F284-V288 PolarHBondContact O-N 3.23Å; F284-E290 HydrophobicContact CD1-CG 4.32Å; F284-E290 HydrophobicContact CE1-CG 4.4Å; F284-E290 WeakPolarHBondContact CE1-OE1 3.34Å; F284-Y296 HydrophobicContact CE1-CD2 4.37Å
285K93.9Very high93.1Very high72 Ų7245.3 Ų45.331%0.31323%0.23SC..Hα-helixtrans-53.4-48172.9168.1172.2170.2170.30111.9F281 N283 G289 E290 S291F281-K285 WeakPolarHBondContact O-CB 3.36Å; F281-K285 PolarHBondContact O-N 3.06Å; N283-K285 VanDerWaalsContact C-N 3.33Å; N283-K285 PolarHBondContact O-N 3.33Å; K285-G289 CarbonylContact O-C 3.5Å; K285-G289 VanDerWaalsContact O-CA 3.28Å; K285-G289 WeakPolarHBondContact O-CA 3.23Å; K285-G289 PolarHBondContact O-N 3.21Å; K285-E290 HydrophobicContact CB-CB 4.22Å; K285-E290 HydrophobicContact CG-CB 4.14Å; K285-E290 WeakPolarHBondContact CG-O 3.36Å; K285-E290 PolarHBondContact O-N 3.12Å; K285-S291 WeakPolarHBondContact CE-O 3.39Å; K285-S291 PolarHBondContact NZ-O 3Å
286K92.6Very high93Very high170 Ų17040 Ų4074%0.73921%0.205SC*.Hα-helixtrans-66.8-44.5179.7-70.9167.2-176.7172.40112.9D282 N283 F284D282-K286 WeakPolarHBondContact O-CD 3.24Å; D282-K286 WeakPolarHBondContact O-CG 3.41Å; D282-K286 PolarHBondContact O-N 3.45Å; N283-K286 PolarHBondContact O-N 2.92Å; N283-K286 VanDerWaalsContact O-N 3.1Å; F284-K286 VanDerWaalsContact C-N 3.33Å; F284-K286 PolarHBondContact O-N 3.19Å
287E90.2Very high93.1Very high89 Ų8935.3 Ų35.342%0.41619%0.187SC..Hα-helixtrans-74.2-38.4-176.3-75.4-71154.400113.2H123 M126 L247 N283 F284H123-E287 IonicContact CE1-OE2 3.79Å; H123-E287 PolarHBondContact CE1-OE2 2.96Å; H123-E287 VanDerWaalsContact CE1-OE2 3.3Å; H123-E287 IonicContact ND1-OE2 2.72Å; M126-E287 HydrophobicContact CE-CB 4.08Å; M126-E287 WeakPolarHBondContact CE-O 3.25Å; L247-E287 HydrophobicContact CD2-CB 4.05Å; N283-E287 WeakPolarHBondContact O-CB 3.44Å; N283-E287 WeakPolarHBondContact O-CG 3.3Å; N283-E287 PolarHBondContact O-N 3.02Å; F284-E287 PolarHBondContact O-N 3.47Å
288V89.3Confident92.9Very high12 Ų1235.3 Ų35.37%0.07319%0.187CC..Hα-helixtrans-93.3-23.2-177-167.60000111.9M126 F131 L247 L250 F284 Y296M126-V288 HydrophobicContact CE-CG2 3.89Å; F131-V288 HydrophobicContact CD1-CG1 3.9Å; F131-V288 HydrophobicContact CD2-CG1 4.03Å; F131-V288 HydrophobicContact CE1-CG1 4.04Å; F131-V288 HydrophobicContact CE2-CG1 4.14Å; F131-V288 HydrophobicContact CG-CG1 3.9Å; F131-V288 HydrophobicContact CZ-CG1 4.15Å; L247-V288 HydrophobicContact CD2-CG2 4.02Å; L250-V288 HydrophobicContact CD1-CG1 4.41Å; L250-V288 HydrophobicContact CD1-CG2 3.76Å; L250-V288 HydrophobicContact CD2-CG1 4.15Å; L250-V288 HydrophobicContact CD2-CG2 4.44Å; L250-V288 HydrophobicContact CG-CG2 4.49Å; F284-V288 HydrophobicContact CD1-CB 4.3Å; F284-V288 HydrophobicContact CD1-CG2 3.85Å; F284-V288 HydrophobicContact CD2-CG2 4.19Å; F284-V288 HydrophobicContact CE1-CB 4.2Å; F284-V288 HydrophobicContact CE1-CG1 4.44Å; F284-V288 HydrophobicContact CE1-CG2 3.8Å; F284-V288 HydrophobicContact CE2-CG2 4.15Å; F284-V288 HydrophobicContact CG-CG2 4.04Å; F284-V288 HydrophobicContact CZ-CG2 3.97Å; F284-V288 VanDerWaalsContact O-CB 3.32Å; F284-V288 WeakPolarHBondContact O-CB 3.29Å; F284-V288 VanDerWaalsContact O-CG2 3.26Å; F284-V288 WeakPolarHBondContact O-CG2 3.37Å; F284-V288 PolarHBondContact O-N 3.23Å; V288-Y296 HydrophobicContact CG1-CD2 3.76Å; V288-Y296 HydrophobicContact CG1-CE2 3.55Å
289G86.1Confident92.7Very high36 Ų3636 Ų3637%0.37119%0.19SC..THydrogen-bonded Turntrans86.136.8179.600000113.9K285K285-G289 CarbonylContact O-C 3.5Å; K285-G289 VanDerWaalsContact O-CA 3.28Å; K285-G289 WeakPolarHBondContact O-CA 3.23Å; K285-G289 PolarHBondContact O-N 3.21Å
290E86.9Confident92.4Very high11 Ų1133.2 Ų33.25%0.05117%0.174CC..  trans-68.1152.8171.1-53.8-171.6134.400111.1F284 K285 T292 F294 E295 Y296F284-E290 HydrophobicContact CD1-CG 4.32Å; F284-E290 HydrophobicContact CE1-CG 4.4Å; F284-E290 WeakPolarHBondContact CE1-OE1 3.34Å; K285-E290 HydrophobicContact CB-CB 4.22Å; K285-E290 HydrophobicContact CG-CB 4.14Å; K285-E290 WeakPolarHBondContact CG-O 3.36Å; K285-E290 PolarHBondContact O-N 3.12Å; E290-T292 VanDerWaalsContact CB-O 3.25Å; E290-T292 WeakPolarHBondContact CB-O 3.38Å; E290-F294 PolarHBondContact OE2-N 3.09Å; E290-E295 HydrophobicContact CB-CB 4.1Å; E290-E295 HydrophobicContact CG-CB 4.23Å; E290-E295 PolarHBondContact OE1-N 2.9Å; E290-Y296 HydrophobicContact CG-CD2 3.71Å; E290-Y296 HydrophobicContact CG-CE2 4.11Å; E290-Y296 WeakPolarHBondContact OE1-CB 3.31Å; E290-Y296 WeakPolarHBondContact OE1-CD2 3.49Å; E290-Y296 PolarHBondContact OE1-N 3.16Å
291S87.5Confident92.2Very high65 Ų6533.2 Ų33.246%0.45517%0.174SC..SBendtrans-78.9-43.4174.9-38.70000110K285 E295K285-S291 WeakPolarHBondContact CE-O 3.39Å; K285-S291 PolarHBondContact NZ-O 3Å; S291-E295 WeakPolarHBondContact CA-OE2 3.3Å; S291-E295 WeakPolarHBondContact CB-OE2 3.46Å; S291-E295 PolarHBondContact N-OE2 3.43Å; S291-E295 PolarHBondContact OG-OE2 3.41Å
292T89.7Confident92Very high59 Ų5935.1 Ų35.136%0.36218%0.182SC..SBendtrans-129.3151.5174470000108.5E290 E295 L346E290-T292 VanDerWaalsContact CB-O 3.25Å; E290-T292 WeakPolarHBondContact CB-O 3.38Å; T292-E295 PolarHBondContact N-OE2 3Å; T292-E295 WeakPolarHBondContact O-CB 3.4Å; T292-L346 WeakPolarHBondContact OG1-CD2 2.88Å
293R93.5Very high91.5Very high19 Ų1933.7 Ų33.77%0.07218%0.175CC..THydrogen-bonded Turntrans-63.2154.7177.453.5176.5-176-167.29110.2F281 D282 E295 L339 E342F281-R293 HydrophobicContact CB-CB 4.35Å; D282-R293 IonicContact OD2-NH1 3.31Å; D282-R293 PolarHBondContact OD2-NH1 3.28Å; R293-E295 PolarHBondContact O-N 3.31Å; R293-L339 VanDerWaalsContact NH2-CD2 3.31Å; R293-E342 WeakPolarHBondContact CG-OE1 3.41Å; R293-E342 IonicContact CZ-OE1 3.12Å; R293-E342 IonicContact CZ-OE2 3.38Å; R293-E342 VanDerWaalsContact CZ-OE2 3.25Å; R293-E342 VanDerWaalsContact NE-CD 3.35Å; R293-E342 IonicContact NE-OE1 2.77Å; R293-E342 PolarHBondContact NE-OE1 2.92Å; R293-E342 VanDerWaalsContact NE-OE1 3.08Å; R293-E342 IonicContact NE-OE2 2.71Å; R293-E342 PolarHBondContact NE-OE2 3.24Å; R293-E342 IonicContact NH2-OE2 3.73Å; R293-E342 PolarHBondContact NH2-OE2 2.85Å
294F95.5Very high91.1Very high0 Ų031.9 Ų31.90%017%0.165CC..THydrogen-bonded Turntrans68.92.8-177-41.4-72.7000116.1L278 F281 E290 Y296 L297 I298 F322 V326 F343 L346L278-F294 HydrophobicContact CD2-CZ 3.98Å; F281-F294 HydrophobicContact CB-CD1 4.3Å; F281-F294 HydrophobicContact CB-CE1 3.86Å; F281-F294 HydrophobicContact CB-CZ 4.3Å; F281-F294 AromaticContact CD1-CD1 3.42Å; F281-F294 HydrophobicContact CD1-CD1 3.42Å; F281-F294 VanDerWaalsContact CD1-CD1 3.42Å; F281-F294 AromaticContact CD1-CE1 3.68Å; F281-F294 HydrophobicContact CD1-CE1 3.68Å; F281-F294 HydrophobicContact CD1-CG 4.38Å; F281-F294 HydrophobicContact CD2-CD1 4.11Å; F281-F294 AromaticContact CD2-CE1 3.51Å; F281-F294 HydrophobicContact CD2-CE1 3.51Å; F281-F294 HydrophobicContact CD2-CZ 4.44Å; F281-F294 AromaticContact CE1-CD1 3.61Å; F281-F294 HydrophobicContact CE1-CD1 3.61Å; F281-F294 HydrophobicContact CE1-CE1 4.03Å; F281-F294 HydrophobicContact CE2-CD1 4.28Å; F281-F294 AromaticContact CE2-CE1 3.88Å; F281-F294 HydrophobicContact CE2-CE1 3.88Å; F281-F294 AromaticContact CG-CD1 3.68Å; F281-F294 HydrophobicContact CG-CD1 3.68Å; F281-F294 AromaticContact CG-CE1 3.39Å; F281-F294 HydrophobicContact CG-CE1 3.39Å; F281-F294 HydrophobicContact CG-CZ 4.27Å; F281-F294 HydrophobicContact CZ-CD1 4.03Å; F281-F294 HydrophobicContact CZ-CE1 4.11Å; E290-F294 PolarHBondContact OE2-N 3.09Å; F294-Y296 PolarHBondContact O-N 2.76Å; F294-L297 HydrophobicContact CD1-CD2 4.4Å; F294-L297 PolarHBondContact O-N 2.68Å; F294-I298 PolarHBondContact O-N 3.31Å; F294-F322 HydrophobicContact CD1-CE1 4.27Å; F294-F322 AromaticContact CE1-CE1 3.98Å; F294-F322 HydrophobicContact CE1-CE1 3.98Å; F294-F322 HydrophobicContact CE1-CZ 4.17Å; F294-V326 HydrophobicContact CZ-CG2 4.32Å; F294-F343 HydrophobicContact CB-CE1 4.33Å; F294-F343 HydrophobicContact CB-CZ 4.35Å; F294-F343 HydrophobicContact CD1-CZ 4.19Å; F294-F343 HydrophobicContact CD2-CE1 4.35Å; F294-F343 AromaticContact CD2-CE2 3.97Å; F294-F343 HydrophobicContact CD2-CE2 3.97Å; F294-F343 AromaticContact CD2-CZ 3.68Å; F294-F343 HydrophobicContact CD2-CZ 3.68Å; F294-F343 HydrophobicContact CE1-CZ 4.4Å; F294-F343 AromaticContact CE2-CE2 3.88Å; F294-F343 HydrophobicContact CE2-CE2 3.88Å; F294-F343 AromaticContact CE2-CZ 3.92Å; F294-F343 HydrophobicContact CE2-CZ 3.92Å; F294-F343 HydrophobicContact CG-CE1 4.3Å; F294-F343 AromaticContact CG-CZ 3.83Å; F294-F343 HydrophobicContact CG-CZ 3.83Å; F294-F343 HydrophobicContact CZ-CE2 4.4Å; F294-F343 HydrophobicContact CZ-CZ 4.28Å; F294-L346 HydrophobicContact CB-CD1 4.08Å
295E92.2Very high90.2Very high8 Ų834.5 Ų34.54%0.03718%0.178CC..Hα-helixtrans-55.4-47.5-176.3-175.4-177.914100112.8C134 E290 S291 T292 R293 H299C134-E295 WeakPolarHBondContact CA-OE1 3.44Å; C134-E295 HydrophobicContact CB-CG 4.18Å; C134-E295 WeakPolarHBondContact CB-OE1 3.31Å; C134-E295 PolarHBondContact N-OE1 3.19Å; E290-E295 HydrophobicContact CB-CB 4.1Å; E290-E295 HydrophobicContact CG-CB 4.23Å; E290-E295 PolarHBondContact OE1-N 2.9Å; S291-E295 WeakPolarHBondContact CA-OE2 3.3Å; S291-E295 WeakPolarHBondContact CB-OE2 3.46Å; S291-E295 PolarHBondContact N-OE2 3.43Å; S291-E295 PolarHBondContact OG-OE2 3.41Å; T292-E295 PolarHBondContact N-OE2 3Å; T292-E295 WeakPolarHBondContact O-CB 3.4Å; R293-E295 PolarHBondContact O-N 3.31Å; E295-H299 WeakPolarHBondContact O-CB 3.48Å; E295-H299 PolarHBondContact O-N 2.91Å
296Y91.6Very high89Confident15 Ų1535.4 Ų35.46%0.05919%0.193CC..Hα-helixtrans-72.8-30.6176.2-79-61.8000113.3F131 R132 F284 V288 E290 F294 H299 Y300F131-Y296 HydrophobicContact CD1-CE1 4.44Å; F131-Y296 HydrophobicContact CD1-CE2 4.14Å; F131-Y296 AromaticContact CD1-CZ 3.9Å; R132-Y296 PolarHBondContact O-OH 2.79Å; F284-Y296 HydrophobicContact CE1-CD2 4.37Å; V288-Y296 HydrophobicContact CG1-CD2 3.76Å; V288-Y296 HydrophobicContact CG1-CE2 3.55Å; E290-Y296 HydrophobicContact CG-CD2 3.71Å; E290-Y296 HydrophobicContact CG-CE2 4.11Å; E290-Y296 WeakPolarHBondContact OE1-CB 3.31Å; E290-Y296 WeakPolarHBondContact OE1-CD2 3.49Å; E290-Y296 PolarHBondContact OE1-N 3.16Å; F294-Y296 PolarHBondContact O-N 2.76Å; Y296-H299 PolarHBondContact O-N 3.07Å; Y296-Y300 WeakPolarHBondContact O-CD2 3.46Å; Y296-Y300 PolarHBondContact O-N 3.5Å
297L95Very high87.6Confident3 Ų331.7 Ų31.72%0.01618%0.179CC..Hα-helixtrans-67.6-45.7177.2177.256.3000110.7L261 F281 F294 Y300 F301 F322 F323L261-L297 HydrophobicContact CD1-CD1 4.18Å; L261-L297 HydrophobicContact CD2-CD1 3.9Å; L261-L297 HydrophobicContact CD2-CD2 4Å; F281-L297 HydrophobicContact CE1-CD2 4.08Å; F281-L297 HydrophobicContact CZ-CD2 3.96Å; F294-L297 HydrophobicContact CD1-CD2 4.4Å; F294-L297 PolarHBondContact O-N 2.68Å; L297-Y300 PolarHBondContact O-N 3.44Å; L297-F301 PolarHBondContact O-N 3.45Å; L297-F322 HydrophobicContact CD2-CD1 3.82Å; L297-F322 HydrophobicContact CD2-CE1 3.8Å; L297-F323 HydrophobicContact CD2-CE1 3.8Å; L297-F323 HydrophobicContact CG-CE1 3.96Å; L297-F323 HydrophobicContact CG-CZ 4.21Å
298I93.8Very high86.2Confident0 Ų028.9 Ų28.90%017%0.169CC..Hα-helixtrans-63.1-42.5173.2-72.1-68.9000111.1F294 Y300 F301 F302 F323 F343 L346 L348F294-I298 PolarHBondContact O-N 3.31Å; I298-Y300 PolarHBondContact O-N 3.02Å; I298-F301 PolarHBondContact O-N 3.46Å; I298-F302 HydrophobicContact CG2-CD1 4.19Å; I298-F302 HydrophobicContact CG2-CD2 3.86Å; I298-F302 HydrophobicContact CG2-CE1 3.75Å; I298-F302 HydrophobicContact CG2-CE2 3.39Å; I298-F302 HydrophobicContact CG2-CG 4.25Å; I298-F302 HydrophobicContact CG2-CZ 3.33Å; I298-F302 WeakPolarHBondContact O-CB 3.44Å; I298-F302 WeakPolarHBondContact O-CD1 3.42Å; I298-F302 VanDerWaalsContact O-CG 3.3Å; I298-F302 WeakPolarHBondContact O-CG 3.4Å; I298-F302 PolarHBondContact O-N 3.34Å; I298-F323 HydrophobicContact CD1-CE1 4.14Å; I298-F323 HydrophobicContact CD1-CE2 3.96Å; I298-F323 HydrophobicContact CD1-CZ 3.6Å; I298-F323 HydrophobicContact CG1-CZ 4.48Å; I298-F343 HydrophobicContact CD1-CD1 3.87Å; I298-F343 HydrophobicContact CD1-CE1 3.98Å; I298-F343 HydrophobicContact CG1-CD1 4.34Å; I298-F343 HydrophobicContact CG1-CE1 4.27Å; I298-L346 HydrophobicContact CG1-CB 4.21Å; I298-L346 HydrophobicContact CG1-CD1 4.09Å; I298-L346 HydrophobicContact CG2-CB 4.32Å; I298-L348 HydrophobicContact CD1-CB 4.25Å; I298-L348 HydrophobicContact CD1-CD1 4.03Å; I298-L348 HydrophobicContact CD1-CG 4.49Å
299H91.1Very high85.1Confident28 Ų2833.9 Ų33.913%0.1320%0.204CC..Hα-helixtrans-58.2-45.4173.6175.167000112.5E295 Y296 F301 F302 T303E295-H299 WeakPolarHBondContact O-CB 3.48Å; E295-H299 PolarHBondContact O-N 2.91Å; Y296-H299 PolarHBondContact O-N 3.07Å; H299-F301 VanDerWaalsContact C-N 3.32Å; H299-F301 PolarHBondContact O-N 2.82Å; H299-F302 PolarHBondContact O-N 3.27Å; H299-T303 VanDerWaalsContact CE1-CG2 3.45Å; H299-T303 WeakPolarHBondContact CE1-CG2 3.39Å; H299-T303 PolarHBondContact O-N 2.99Å; H299-T303 PolarHBondContact O-OG1 3.09Å
300Y91.6Very high84.2Confident21 Ų2138.1 Ų38.18%0.08222%0.218CC..Hα-helixtrans-63.4-36.8175.8-62.5-29.1000112.5K257 Y296 L297 I298 H304K257-Y300 HydrophobicContact CD-CD2 3.8Å; K257-Y300 HydrophobicContact CD-CE2 4.26Å; K257-Y300 HydrophobicContact CD-CG 4.33Å; K257-Y300 VanDerWaalsContact CE-CE2 3.49Å; Y296-Y300 WeakPolarHBondContact O-CD2 3.46Å; Y296-Y300 PolarHBondContact O-N 3.5Å; L297-Y300 PolarHBondContact O-N 3.44Å; I298-Y300 PolarHBondContact O-N 3.02Å; Y300-H304 VanDerWaalsContact O-CB 3.24Å; Y300-H304 WeakPolarHBondContact O-CB 3.33Å; Y300-H304 PolarHBondContact O-N 2.71Å
301F93Very high84Confident0 Ų042.5 Ų42.50%024%0.235CC..Hα-helixtrans-66.7-38.5175.1-174-117.9000112.1L297 I298 H299 M316 C319 M320 F323 L348 Y351 L352 I355L297-F301 PolarHBondContact O-N 3.45Å; I298-F301 PolarHBondContact O-N 3.46Å; H299-F301 VanDerWaalsContact C-N 3.32Å; H299-F301 PolarHBondContact O-N 2.82Å; F301-M316 HydrophobicContact CD2-CE 3.71Å; F301-M316 HydrophobicContact CD2-SD 3.63Å; F301-M316 HydrophobicContact CE2-CB 4.24Å; F301-M316 HydrophobicContact CE2-CE 3.39Å; F301-M316 HydrophobicContact CE2-SD 3.74Å; F301-M316 HydrophobicContact CG-CE 4.45Å; F301-M316 HydrophobicContact CZ-CE 3.89Å; F301-C319 HydrophobicContact CD2-CB 3.37Å; F301-C319 HydrophobicContact CE2-CB 3.74Å; F301-C319 HydrophobicContact CG-CB 4.14Å; F301-M320 HydrophobicContact CZ-SD 4.27Å; F301-F323 HydrophobicContact CB-CZ 4.48Å; F301-F323 AromaticContact CD1-CE2 3.86Å; F301-F323 HydrophobicContact CD1-CE2 3.86Å; F301-F323 HydrophobicContact CD2-CE2 4.44Å; F301-F323 HydrophobicContact CE1-CE2 4.08Å; F301-F323 HydrophobicContact CG-CE2 4.05Å; F301-F323 HydrophobicContact CG-CZ 4.46Å; F301-F323 HydrophobicContact CZ-CE2 4.46Å; F301-L348 HydrophobicContact CD1-CD1 4.04Å; F301-L348 HydrophobicContact CE1-CD1 3.77Å; F301-Y351 AromaticContact CD1-CD1 3.95Å; F301-Y351 HydrophobicContact CD1-CD1 3.95Å; F301-Y351 AromaticContact CD1-CE1 3.73Å; F301-Y351 HydrophobicContact CD1-CE1 3.73Å; F301-Y351 AromaticContact CE1-CD1 3.67Å; F301-Y351 HydrophobicContact CE1-CD1 3.67Å; F301-Y351 AromaticContact CE1-CE1 3.55Å; F301-Y351 HydrophobicContact CE1-CE1 3.55Å; F301-Y351 HydrophobicContact CG-CE1 4.5Å; F301-Y351 HydrophobicContact CZ-CE1 4.19Å; F301-Y351 PolarHBondContact O-OH 3.46Å; F301-L352 HydrophobicContact CE1-CD2 3.94Å; F301-L352 HydrophobicContact CZ-CD2 4.23Å; F301-I355 HydrophobicContact CZ-CD1 4.45Å
302F92Very high83.9Confident40 Ų4041 Ų4118%0.17522%0.222CC..Hα-helixtrans-76.2-36.3-178.6-69.8-1.3000114.5I298 H299 L348 Y351I298-F302 HydrophobicContact CG2-CD1 4.19Å; I298-F302 HydrophobicContact CG2-CD2 3.86Å; I298-F302 HydrophobicContact CG2-CE1 3.75Å; I298-F302 HydrophobicContact CG2-CE2 3.39Å; I298-F302 HydrophobicContact CG2-CG 4.25Å; I298-F302 HydrophobicContact CG2-CZ 3.33Å; I298-F302 WeakPolarHBondContact O-CB 3.44Å; I298-F302 WeakPolarHBondContact O-CD1 3.42Å; I298-F302 VanDerWaalsContact O-CG 3.3Å; I298-F302 WeakPolarHBondContact O-CG 3.4Å; I298-F302 PolarHBondContact O-N 3.34Å; H299-F302 PolarHBondContact O-N 3.27Å; F302-L348 HydrophobicContact CE1-CD1 4.37Å; F302-Y351 HydrophobicContact CB-CD2 4.32Å; F302-Y351 HydrophobicContact CB-CE2 4.04Å; F302-Y351 AromaticContact CD1-CD1 3.58Å; F302-Y351 HydrophobicContact CD1-CD1 3.58Å; F302-Y351 AromaticContact CD1-CD2 3.48Å; F302-Y351 HydrophobicContact CD1-CD2 3.48Å; F302-Y351 VanDerWaalsContact CD1-CD2 3.48Å; F302-Y351 AromaticContact CD1-CE1 3.87Å; F302-Y351 HydrophobicContact CD1-CE1 3.87Å; F302-Y351 AromaticContact CD1-CE2 3.78Å; F302-Y351 HydrophobicContact CD1-CE2 3.78Å; F302-Y351 AromaticContact CD1-CG 3.37Å; F302-Y351 HydrophobicContact CD1-CG 3.37Å; F302-Y351 AromaticContact CD1-CZ 3.97Å; F302-Y351 AromaticContact CE1-CD1 3.64Å; F302-Y351 HydrophobicContact CE1-CD1 3.64Å; F302-Y351 AromaticContact CE1-CD2 3.9Å; F302-Y351 HydrophobicContact CE1-CD2 3.9Å; F302-Y351 HydrophobicContact CE1-CE1 4.36Å; F302-Y351 AromaticContact CE1-CG 3.36Å; F302-Y351 HydrophobicContact CE1-CG 3.36Å; F302-Y351 AromaticContact CG-CD2 3.9Å; F302-Y351 HydrophobicContact CG-CD2 3.9Å; F302-Y351 HydrophobicContact CG-CE2 4.1Å; F302-Y351 HydrophobicContact CG-CG 4.23Å; F302-Y351 HydrophobicContact CZ-CG 4.2Å
303T86.1Confident83.9Confident18 Ų1841.6 Ų41.611%0.1122%0.221CC..Hα-helixtrans-85-24.2-178.462.60000113.2H299 E305 S306 E307H299-T303 VanDerWaalsContact CE1-CG2 3.45Å; H299-T303 WeakPolarHBondContact CE1-CG2 3.39Å; H299-T303 PolarHBondContact O-N 2.99Å; H299-T303 PolarHBondContact O-OG1 3.09Å; T303-E305 VanDerWaalsContact C-N 3.31Å; T303-E305 PolarHBondContact O-N 3.29Å; T303-S306 PolarHBondContact O-N 2.81Å; T303-S306 PolarHBondContact O-OG 3.28Å; T303-E307 PolarHBondContact O-N 3.3Å
304H86.4Confident83.7Confident0 Ų044 Ų440%024%0.236CC..Hα-helixtrans-61.3-35-174.7-17671.5000113.9Y254 Y300 S306 S308 Y311 N312 F315 M316Y254-H304 AromaticContact CD1-ND1 3.68Å; Y254-H304 AromaticContact CD2-CE1 3.79Å; Y254-H304 AromaticContact CD2-ND1 3.66Å; Y254-H304 HydrophobicContact CE1-CB 4.23Å; Y254-H304 AromaticContact CE1-ND1 3.46Å; Y254-H304 WeakPolarHBondContact CE1-ND1 3.43Å; Y254-H304 AromaticContact CE2-CE1 4Å; Y254-H304 AromaticContact CE2-ND1 3.42Å; Y254-H304 WeakPolarHBondContact CE2-ND1 3.45Å; Y254-H304 AromaticContact CG-CE1 3.81Å; Y254-H304 AromaticContact CG-ND1 3.79Å; Y254-H304 AromaticContact CZ-ND1 3.3Å; Y254-H304 VanDerWaalsContact CZ-ND1 3.3Å; Y300-H304 VanDerWaalsContact O-CB 3.24Å; Y300-H304 WeakPolarHBondContact O-CB 3.33Å; Y300-H304 PolarHBondContact O-N 2.71Å; H304-S306 VanDerWaalsContact C-N 3.27Å; H304-S306 PolarHBondContact O-N 3.17Å; H304-S308 PolarHBondContact O-OG 2.75Å; H304-Y311 AromaticContact CD2-CD2 3.91Å; H304-N312 PolarHBondContact CE1-N 3.09Å; H304-N312 PolarHBondContact NE2-N 2.83Å; H304-N312 PolarHBondContact NE2-O 3.49Å; H304-F315 HydrophobicContact CB-CD1 4.2Å; H304-F315 HydrophobicContact CB-CE1 4.03Å; H304-F315 AromaticContact CD2-CD1 3.64Å; H304-F315 AromaticContact CG-CD1 3.76Å; H304-F315 AromaticContact NE2-CD1 3.87Å; H304-M316 HydrophobicContact CB-SD 4.27Å
305E76.6Confident83.7Confident58 Ų5844 Ų4427%0.27124%0.236SC..Hα-helixtrans-59.1-34.7172.1-177.6-172.7-142.700112.9T303 Y351 R354 I355T303-E305 VanDerWaalsContact C-N 3.31Å; T303-E305 PolarHBondContact O-N 3.29Å; E305-Y351 WeakPolarHBondContact CB-OH 3.43Å; E305-R354 IonicContact OE2-CZ 2.74Å; E305-R354 IonicContact OE2-NE 3.67Å; E305-R354 IonicContact OE2-NH2 3.23Å; E305-R354 PolarHBondContact OE2-NH2 3.38Å; E305-I355 WeakPolarHBondContact OE1-CG2 3.34Å
306S67.9Low83.7Confident92 Ų9243.7 Ų43.764%0.64323%0.234SC*.Hα-helixtrans-112.5-21.4-166.353.40000115.4T303 H304T303-S306 PolarHBondContact O-N 2.81Å; T303-S306 PolarHBondContact O-OG 3.28Å; H304-S306 VanDerWaalsContact C-N 3.27Å; H304-S306 PolarHBondContact O-N 3.17Å
307E63.1Low83.8Confident92 Ų9243.5 Ų43.543%0.4324%0.235SC..Hα-helixtrans-103.3-13.9-177-65.4-164.7142.300114.5P201 T303P201-E307 WeakPolarHBondContact CD-OE2 3.35Å; T303-E307 PolarHBondContact O-N 3.3Å
308S61.1Low83.8Confident30 Ų3043.6 Ų43.621%0.2124%0.236CC..  trans-101.9121.8-171.173.10000113.5H304 D310 Y311H304-S308 PolarHBondContact O-OG 2.75Å; S308-D310 PolarHBondContact O-N 3.33Å; S308-Y311 WeakPolarHBondContact OG-CA 3.42Å; S308-Y311 PolarHBondContact OG-N 2.84Å
309S65.5Low83.9Confident116 Ų11643.6 Ų43.681%0.81124%0.236SC*.SBendtrans-62.9-24.9158.9530000111.7
310D69.1Low84Confident125 Ų12542.3 Ų42.367%0.66823%0.23SC*.SBendtrans-106.350.7-172.1-54.62.4000109S308 N312S308-D310 PolarHBondContact O-N 3.33Å; D310-N312 PolarHBondContact O-N 2.98Å
311Y82.3Confident84.2Confident104 Ų10441.5 Ų41.541%0.40823%0.227SC..  trans-57.5105.3-179176.4-100000110.8H304 S308 M313 M316H304-Y311 AromaticContact CD2-CD2 3.91Å; S308-Y311 WeakPolarHBondContact OG-CA 3.42Å; S308-Y311 PolarHBondContact OG-N 2.84Å; Y311-M313 HydrophobicContact CE1-CB 4.33Å; Y311-M316 HydrophobicContact CE2-CG 3.91Å
312N84.7Confident84.3Confident32 Ų3241.5 Ų41.517%0.17123%0.227CC..  trans-95.9107.2-179.6-176.1-31.1000110H304 D310 D314 F315H304-N312 PolarHBondContact CE1-N 3.09Å; H304-N312 PolarHBondContact NE2-N 2.83Å; H304-N312 PolarHBondContact NE2-O 3.49Å; D310-N312 PolarHBondContact O-N 2.98Å; N312-D314 WeakPolarHBondContact OD1-CA 3.35Å; N312-D314 WeakPolarHBondContact OD1-CB 3.49Å; N312-D314 PolarHBondContact OD1-N 3.3Å; N312-F315 HydrophobicContact CB-CB 4.23Å; N312-F315 PolarHBondContact O-N 3.41Å; N312-F315 PolarHBondContact OD1-N 3.5Å
313M88.7Confident84.5Confident72 Ų7239.6 Ų39.636%0.35522%0.218SC..Hα-helixtrans-66-34.7177.3-175.2-176.6-68.700112.6Y311 F315 M316 V317Y311-M313 HydrophobicContact CE1-CB 4.33Å; M313-F315 VanDerWaalsContact C-N 3.3Å; M313-F315 PolarHBondContact O-N 3.22Å; M313-M316 PolarHBondContact O-N 3.47Å; M313-M316 VanDerWaalsContact O-N 3.16Å; M313-V317 HydrophobicContact CG-CG2 4.28Å; M313-V317 WeakPolarHBondContact O-CG2 3.36Å; M313-V317 PolarHBondContact O-N 3.41Å
314D91.3Very high84.9Confident70 Ų7038.8 Ų38.837%0.37421%0.213SC..Hα-helixtrans-64.4-36.5179.1-59.1-56.2000111.3T258 N312 V317 S318 R362T258-D314 HydrophobicContact CG2-CB 4.18Å; N312-D314 WeakPolarHBondContact OD1-CA 3.35Å; N312-D314 WeakPolarHBondContact OD1-CB 3.49Å; N312-D314 PolarHBondContact OD1-N 3.3Å; D314-V317 PolarHBondContact O-N 3.34Å; D314-S318 WeakPolarHBondContact O-CB 3.11Å; D314-S318 PolarHBondContact O-N 3Å; D314-S318 PolarHBondContact O-OG 3.32Å; D314-S318 VanDerWaalsContact O-OG 3.11Å; D314-R362 IonicContact OD1-CZ 3.19Å; D314-R362 IonicContact OD1-NH1 2.71Å; D314-R362 PolarHBondContact OD1-NH1 3.14Å; D314-R362 IonicContact OD1-NH2 2.74Å; D314-R362 PolarHBondContact OD1-NH2 3.43Å
315F93.6Very high85.2Confident0 Ų038.9 Ų38.90%021%0.214CC..Hα-helixtrans-60.4-44171.5175-108.8000112.6Y254 K257 T258 L261 H304 N312 M313 S318 C319Y254-F315 AromaticContact CD1-CD1 3.62Å; Y254-F315 HydrophobicContact CD1-CD1 3.62Å; Y254-F315 HydrophobicContact CD1-CD2 4.07Å; Y254-F315 AromaticContact CD1-CE1 3.66Å; Y254-F315 HydrophobicContact CD1-CE1 3.66Å; Y254-F315 HydrophobicContact CD1-CE2 4.12Å; Y254-F315 AromaticContact CD1-CG 3.84Å; Y254-F315 HydrophobicContact CD1-CG 3.84Å; Y254-F315 AromaticContact CD1-CZ 3.92Å; Y254-F315 HydrophobicContact CD1-CZ 3.92Å; Y254-F315 HydrophobicContact CE1-CD1 4.1Å; Y254-F315 AromaticContact CE1-CE1 3.77Å; Y254-F315 HydrophobicContact CE1-CE1 3.77Å; Y254-F315 HydrophobicContact CE1-CZ 4.12Å; Y254-F315 HydrophobicContact CG-CD1 4.48Å; Y254-F315 HydrophobicContact CG-CG 4.47Å; K257-F315 HydrophobicContact CB-CD2 3.85Å; K257-F315 HydrophobicContact CB-CE2 3.55Å; K257-F315 HydrophobicContact CD-CE2 3.79Å; K257-F315 HydrophobicContact CD-CZ 4.11Å; K257-F315 HydrophobicContact CG-CE2 4.35Å; T258-F315 WeakPolarHBondContact OG1-CA 3.47Å; T258-F315 WeakPolarHBondContact OG1-CB 3.15Å; L261-F315 HydrophobicContact CD1-CD2 4.28Å; L261-F315 HydrophobicContact CD1-CE2 3.92Å; H304-F315 HydrophobicContact CB-CD1 4.2Å; H304-F315 HydrophobicContact CB-CE1 4.03Å; H304-F315 AromaticContact CD2-CD1 3.64Å; H304-F315 AromaticContact CG-CD1 3.76Å; H304-F315 AromaticContact NE2-CD1 3.87Å; N312-F315 HydrophobicContact CB-CB 4.23Å; N312-F315 PolarHBondContact O-N 3.41Å; N312-F315 PolarHBondContact OD1-N 3.5Å; M313-F315 VanDerWaalsContact C-N 3.3Å; M313-F315 PolarHBondContact O-N 3.22Å; F315-S318 PolarHBondContact O-N 3.09Å; F315-C319 WeakPolarHBondContact CE2-SG 3.32Å; F315-C319 WeakPolarHBondContact CZ-SG 3.45Å; F315-C319 PolarHBondContact O-N 2.94Å; F315-C319 PolarHBondContact O-SG 2.75Å
316M93.6Very high86.1Confident2 Ų236.1 Ų36.11%0.0120%0.201CC..Hα-helixtrans-64.1-44177.1-63.6-63.5-75.400111.5F301 H304 Y311 M313 C319 M320 Y351 I355 L363F301-M316 HydrophobicContact CD2-CE 3.71Å; F301-M316 HydrophobicContact CD2-SD 3.63Å; F301-M316 HydrophobicContact CE2-CB 4.24Å; F301-M316 HydrophobicContact CE2-CE 3.39Å; F301-M316 HydrophobicContact CE2-SD 3.74Å; F301-M316 HydrophobicContact CG-CE 4.45Å; F301-M316 HydrophobicContact CZ-CE 3.89Å; H304-M316 HydrophobicContact CB-SD 4.27Å; Y311-M316 HydrophobicContact CE2-CG 3.91Å; M313-M316 PolarHBondContact O-N 3.47Å; M313-M316 VanDerWaalsContact O-N 3.16Å; M316-C319 PolarHBondContact O-N 3.06Å; M316-M320 PolarHBondContact O-N 2.9Å; M316-Y351 HydrophobicContact CE-CE1 4.3Å; M316-I355 HydrophobicContact CE-CD1 4.41Å; M316-L363 HydrophobicContact CB-CD1 4.19Å; M316-L363 HydrophobicContact CB-CD2 3.97Å; M316-L363 HydrophobicContact CE-CD2 4.44Å
317V93.1Very high87.3Confident10 Ų1031.7 Ų31.76%0.06117%0.17CC..Hα-helixtrans-63.3-44.5177.4173.20000111.1M313 D314 C319 M320 Q321 R362 L363 Q366M313-V317 HydrophobicContact CG-CG2 4.28Å; M313-V317 WeakPolarHBondContact O-CG2 3.36Å; M313-V317 PolarHBondContact O-N 3.41Å; D314-V317 PolarHBondContact O-N 3.34Å; V317-C319 PolarHBondContact O-N 2.92Å; V317-M320 PolarHBondContact O-N 3.35Å; V317-Q321 WeakPolarHBondContact O-CB 3.17Å; V317-Q321 PolarHBondContact O-N 2.96Å; V317-R362 HydrophobicContact CG2-CB 3.97Å; V317-L363 HydrophobicContact CG2-CB 4.16Å; V317-Q366 HydrophobicContact CG1-CG 4.49Å
318S94.2Very high88.6Confident6 Ų627.3 Ų27.34%0.04215%0.15CC..Hα-helixtrans-67.4-32.6177.2-62.70000113.4T258 D314 F315 F322T258-S318 WeakPolarHBondContact CG2-OG 3.28Å; D314-S318 WeakPolarHBondContact O-CB 3.11Å; D314-S318 PolarHBondContact O-N 3Å; D314-S318 PolarHBondContact O-OG 3.32Å; D314-S318 VanDerWaalsContact O-OG 3.11Å; F315-S318 PolarHBondContact O-N 3.09Å; S318-F322 VanDerWaalsContact O-CB 3.24Å; S318-F322 WeakPolarHBondContact O-CB 3.28Å; S318-F322 PolarHBondContact O-N 2.83Å
319C95.9Very high89.9Confident0 Ų026.1 Ų26.10%014%0.141CC..Hα-helixtrans-63.5-51170.7-68.60000110.7L261 F301 F315 M316 V317 Q321 F322 F323L261-C319 HydrophobicContact CD1-CB 4.43Å; L261-C319 WeakPolarHBondContact CD1-SG 3.48Å; F301-C319 HydrophobicContact CD2-CB 3.37Å; F301-C319 HydrophobicContact CE2-CB 3.74Å; F301-C319 HydrophobicContact CG-CB 4.14Å; F315-C319 WeakPolarHBondContact CE2-SG 3.32Å; F315-C319 WeakPolarHBondContact CZ-SG 3.45Å; F315-C319 PolarHBondContact O-N 2.94Å; F315-C319 PolarHBondContact O-SG 2.75Å; M316-C319 PolarHBondContact O-N 3.06Å; V317-C319 PolarHBondContact O-N 2.92Å; C319-Q321 PolarHBondContact O-N 3.13Å; C319-F322 PolarHBondContact O-N 3.21Å; C319-F323 HydrophobicContact CB-CE2 4.05Å; C319-F323 HydrophobicContact CB-CZ 4.12Å; C319-F323 WeakPolarHBondContact O-CD1 3.43Å; C319-F323 VanDerWaalsContact O-CD2 3.29Å; C319-F323 WeakPolarHBondContact O-CD2 3.4Å; C319-F323 WeakPolarHBondContact O-CG 3.43Å; C319-F323 PolarHBondContact O-N 2.98Å
320M94.9Very high90.8Very high0 Ų021.5 Ų21.50%011%0.108CC..Hα-helixtrans-66.1-38.7-177.2-161.764.1-139.700112.4F301 M316 V317 F323 N324 L352 L363 Q366 I367 Y370F301-M320 HydrophobicContact CZ-SD 4.27Å; M316-M320 PolarHBondContact O-N 2.9Å; V317-M320 PolarHBondContact O-N 3.35Å; M320-F323 PolarHBondContact O-N 3.45Å; M320-F323 HydrophobicContact SD-CD2 4.15Å; M320-N324 PolarHBondContact O-N 2.88Å; M320-L352 HydrophobicContact CE-CD1 3.67Å; M320-L352 HydrophobicContact CE-CD2 4.45Å; M320-L352 HydrophobicContact SD-CD1 4.03Å; M320-L352 HydrophobicContact SD-CD2 3.7Å; M320-L363 HydrophobicContact CB-CD1 3.82Å; M320-L363 HydrophobicContact CG-CD1 4.22Å; M320-Q366 HydrophobicContact CB-CB 3.88Å; M320-Q366 HydrophobicContact CG-CB 3.5Å; M320-I367 HydrophobicContact CG-CG1 4.21Å; M320-I367 HydrophobicContact SD-CG1 4.23Å; M320-Y370 HydrophobicContact CE-CD1 4.32Å; M320-Y370 HydrophobicContact CE-CD2 3.53Å; M320-Y370 HydrophobicContact CE-CE2 4.44Å; M320-Y370 HydrophobicContact CE-CG 3.45Å; M320-Y370 VanDerWaalsContact CE-CG 3.45Å
321Q94Very high91.3Very high5 Ų519.3 Ų19.32%0.02310%0.097CC..Hα-helixtrans-63-45.1172.5-172.1-176.670.700111T265 V317 C319 F323 N324 I325 L1029T265-Q321 HydrophobicContact CG2-CG 4.13Å; V317-Q321 WeakPolarHBondContact O-CB 3.17Å; V317-Q321 PolarHBondContact O-N 2.96Å; C319-Q321 PolarHBondContact O-N 3.13Å; Q321-F323 VanDerWaalsContact C-N 3.34Å; Q321-F323 PolarHBondContact O-N 3.31Å; Q321-N324 PolarHBondContact O-N 3.44Å; Q321-I325 WeakPolarHBondContact O-CG1 3.3Å; Q321-I325 PolarHBondContact O-N 3.05Å; Q321-L1029 HydrophobicContact CG-CB 4.44Å; Q321-L1029 HydrophobicContact CG-CD1 4.45Å; Q321-L1029 VanDerWaalsContact NE2-CB 3.32Å; Q321-L1029 PolarHBondContact NE2-O 2.8Å; Q321-L1029 VanDerWaalsContact NE2-O 3.09Å
322F96.5Very high91.3Very high0 Ų018.1 Ų18.10%010%0.097CC..Hα-helixtrans-59.7-43.1174.5176.3-100.5000112L261 L264 V277 F281 F294 L297 S318 C319 I325 V326L261-F322 HydrophobicContact CD2-CB 4.05Å; L261-F322 HydrophobicContact CD2-CD1 4.07Å; L261-F322 HydrophobicContact CD2-CD2 4.44Å; L261-F322 HydrophobicContact CD2-CG 3.9Å; L264-F322 HydrophobicContact CB-CD2 4.21Å; L264-F322 HydrophobicContact CB-CE2 3.9Å; V277-F322 HydrophobicContact CG1-CE2 3.85Å; V277-F322 HydrophobicContact CG1-CZ 3.92Å; F281-F322 HydrophobicContact CD2-CZ 4.2Å; F281-F322 AromaticContact CE2-CE1 3.96Å; F281-F322 HydrophobicContact CE2-CE1 3.96Å; F281-F322 HydrophobicContact CE2-CE2 4.19Å; F281-F322 AromaticContact CE2-CZ 3.39Å; F281-F322 HydrophobicContact CE2-CZ 3.39Å; F281-F322 HydrophobicContact CZ-CE1 4.01Å; F281-F322 AromaticContact CZ-CZ 3.89Å; F281-F322 HydrophobicContact CZ-CZ 3.89Å; F294-F322 HydrophobicContact CD1-CE1 4.27Å; F294-F322 AromaticContact CE1-CE1 3.98Å; F294-F322 HydrophobicContact CE1-CE1 3.98Å; F294-F322 HydrophobicContact CE1-CZ 4.17Å; L297-F322 HydrophobicContact CD2-CD1 3.82Å; L297-F322 HydrophobicContact CD2-CE1 3.8Å; S318-F322 VanDerWaalsContact O-CB 3.24Å; S318-F322 WeakPolarHBondContact O-CB 3.28Å; S318-F322 PolarHBondContact O-N 2.83Å; C319-F322 PolarHBondContact O-N 3.21Å; F322-I325 PolarHBondContact O-N 3.13Å; F322-V326 HydrophobicContact CD1-CG1 4.39Å; F322-V326 HydrophobicContact CE1-CB 4.28Å; F322-V326 HydrophobicContact CE1-CG1 3.98Å; F322-V326 HydrophobicContact CE2-CB 4.31Å; F322-V326 HydrophobicContact CZ-CB 3.99Å; F322-V326 HydrophobicContact CZ-CG1 4.2Å; F322-V326 HydrophobicContact CZ-CG2 4.11Å; F322-V326 WeakPolarHBondContact O-CB 3.19Å; F322-V326 WeakPolarHBondContact O-CG1 3.39Å; F322-V326 PolarHBondContact O-N 3.38Å
323F96.3Very high91.3Very high0 Ų019.4 Ų19.40%010%0.103CC..Hα-helixtrans-61.8-47.7176.1-56.7-29000111.8L297 I298 F301 C319 M320 Q321 I325 V327 F343 L348 Y370L297-F323 HydrophobicContact CD2-CE1 3.8Å; L297-F323 HydrophobicContact CG-CE1 3.96Å; L297-F323 HydrophobicContact CG-CZ 4.21Å; I298-F323 HydrophobicContact CD1-CE1 4.14Å; I298-F323 HydrophobicContact CD1-CE2 3.96Å; I298-F323 HydrophobicContact CD1-CZ 3.6Å; I298-F323 HydrophobicContact CG1-CZ 4.48Å; F301-F323 HydrophobicContact CB-CZ 4.48Å; F301-F323 AromaticContact CD1-CE2 3.86Å; F301-F323 HydrophobicContact CD1-CE2 3.86Å; F301-F323 HydrophobicContact CD2-CE2 4.44Å; F301-F323 HydrophobicContact CE1-CE2 4.08Å; F301-F323 HydrophobicContact CG-CE2 4.05Å; F301-F323 HydrophobicContact CG-CZ 4.46Å; F301-F323 HydrophobicContact CZ-CE2 4.46Å; C319-F323 HydrophobicContact CB-CE2 4.05Å; C319-F323 HydrophobicContact CB-CZ 4.12Å; C319-F323 WeakPolarHBondContact O-CD1 3.43Å; C319-F323 VanDerWaalsContact O-CD2 3.29Å; C319-F323 WeakPolarHBondContact O-CD2 3.4Å; C319-F323 WeakPolarHBondContact O-CG 3.43Å; C319-F323 PolarHBondContact O-N 2.98Å; M320-F323 PolarHBondContact O-N 3.45Å; M320-F323 HydrophobicContact SD-CD2 4.15Å; Q321-F323 VanDerWaalsContact C-N 3.34Å; Q321-F323 PolarHBondContact O-N 3.31Å; F323-I325 VanDerWaalsContact C-N 3.29Å; F323-I325 PolarHBondContact O-N 3.46Å; F323-V327 WeakPolarHBondContact O-CB 3.42Å; F323-V327 WeakPolarHBondContact O-CG2 3.39Å; F323-V327 PolarHBondContact O-N 3.06Å; F323-F343 HydrophobicContact CD1-CD1 4.33Å; F323-F343 AromaticContact CD1-CE1 3.44Å; F323-F343 HydrophobicContact CD1-CE1 3.44Å; F323-F343 VanDerWaalsContact CD1-CE1 3.44Å; F323-F343 AromaticContact CD1-CZ 3.79Å; F323-F343 HydrophobicContact CD1-CZ 3.79Å; F323-F343 AromaticContact CE1-CE1 3.65Å; F323-F343 HydrophobicContact CE1-CE1 3.65Å; F323-F343 HydrophobicContact CE1-CZ 4.25Å; F323-F343 HydrophobicContact CG-CE1 4.11Å; F323-F343 HydrophobicContact CZ-CE1 4.45Å; F323-L348 HydrophobicContact CB-CD2 4.4Å; F323-L348 HydrophobicContact CD2-CD1 4.07Å; F323-L348 HydrophobicContact CD2-CD2 3.83Å; F323-L348 HydrophobicContact CE2-CD1 3.98Å; F323-L348 HydrophobicContact CE2-CD2 4.39Å; F323-L348 HydrophobicContact CG-CD2 4.21Å; F323-Y370 HydrophobicContact CB-CE2 4.45Å
324N93.5Very high91.2Very high1 Ų121.7 Ų21.71%0.00512%0.115CC..Hα-helixtrans-54.9-44.4175-84.9-29.3000112.5M320 Q321 H328 Q366 Y370M320-N324 PolarHBondContact O-N 2.88Å; Q321-N324 PolarHBondContact O-N 3.44Å; N324-H328 VanDerWaalsContact O-CB 3.25Å; N324-H328 WeakPolarHBondContact O-CB 3.41Å; N324-H328 PolarHBondContact O-CD2 2.89Å; N324-H328 VanDerWaalsContact O-CD2 3.28Å; N324-H328 PolarHBondContact O-N 2.85Å; N324-Q366 PolarHBondContact ND2-O 3.2Å; N324-Q366 PolarHBondContact ND2-OE1 3.41Å; N324-Y370 WeakPolarHBondContact OD1-CA 3.46Å; N324-Y370 WeakPolarHBondContact OD1-CB 3.31Å; N324-Y370 WeakPolarHBondContact OD1-CD2 3.39Å; N324-Y370 PolarHBondContact OD1-N 2.88Å
325I93.4Very high91.2Very high1 Ų120.5 Ų20.51%0.00511%0.108CC..Hα-helixtrans-71.6-54.9-179.4-64.6-42.5000111.3T265 C268 L269 Q321 F322 F323 V327 H328 S329 L1029 L1034T265-I325 HydrophobicContact CG2-CB 4.07Å; T265-I325 HydrophobicContact CG2-CG1 3.58Å; T265-I325 HydrophobicContact CG2-CG2 4.34Å; C268-I325 HydrophobicContact CB-CG2 3.8Å; L269-I325 HydrophobicContact CD1-CD1 4.3Å; L269-I325 HydrophobicContact CD1-CG1 4.48Å; L269-I325 HydrophobicContact CD1-CG2 4.41Å; L269-I325 HydrophobicContact CD2-CD1 4.21Å; L269-I325 HydrophobicContact CD2-CG2 3.81Å; L269-I325 HydrophobicContact CG-CG2 3.73Å; Q321-I325 WeakPolarHBondContact O-CG1 3.3Å; Q321-I325 PolarHBondContact O-N 3.05Å; F322-I325 PolarHBondContact O-N 3.13Å; F323-I325 VanDerWaalsContact C-N 3.29Å; F323-I325 PolarHBondContact O-N 3.46Å; I325-V327 PolarHBondContact O-N 3.49Å; I325-H328 PolarHBondContact O-N 3.42Å; I325-S329 WeakPolarHBondContact O-CB 3.24Å; I325-S329 PolarHBondContact O-N 2.93Å; I325-S329 PolarHBondContact O-OG 3.18Å; I325-S329 VanDerWaalsContact O-OG 3.04Å; I325-L1029 HydrophobicContact CD1-CD1 4.34Å; I325-L1029 HydrophobicContact CD1-CD2 3.88Å; I325-L1029 HydrophobicContact CG1-CD1 4.16Å; I325-L1034 HydrophobicContact CD1-CB 3.59Å; I325-L1034 HydrophobicContact CD1-CD2 3.69Å; I325-L1034 HydrophobicContact CD1-CG 4.19Å
326V94.9Very high91.1Very high0 Ų020.7 Ų20.70%011%0.109CC..Hα-helixtrans-62.1-32.3-174.7770000112.3H274 L278 F294 F322 L339 F343H274-V326 PolarHBondContact NE2-O 3.26Å; L278-V326 HydrophobicContact CD2-CG2 3.76Å; F294-V326 HydrophobicContact CZ-CG2 4.32Å; F322-V326 HydrophobicContact CD1-CG1 4.39Å; F322-V326 HydrophobicContact CE1-CB 4.28Å; F322-V326 HydrophobicContact CE1-CG1 3.98Å; F322-V326 HydrophobicContact CE2-CB 4.31Å; F322-V326 HydrophobicContact CZ-CB 3.99Å; F322-V326 HydrophobicContact CZ-CG1 4.2Å; F322-V326 HydrophobicContact CZ-CG2 4.11Å; F322-V326 WeakPolarHBondContact O-CB 3.19Å; F322-V326 WeakPolarHBondContact O-CG1 3.39Å; F322-V326 PolarHBondContact O-N 3.38Å; V326-L339 WeakPolarHBondContact O-CD1 3.03Å; V326-F343 HydrophobicContact CG1-CE2 3.94Å; V326-F343 HydrophobicContact CG1-CZ 4.04Å
327V93.3Very high90.9Very high0 Ų022.2 Ų22.20%012%0.118CC..Hα-helixtrans-84.8-39.5179.1-1740000112.4F323 I325 R336 L339 Q340 F343 Y370F323-V327 WeakPolarHBondContact O-CB 3.42Å; F323-V327 WeakPolarHBondContact O-CG2 3.39Å; F323-V327 PolarHBondContact O-N 3.06Å; I325-V327 PolarHBondContact O-N 3.49Å; V327-R336 WeakPolarHBondContact O-CG 3.31Å; V327-L339 HydrophobicContact CB-CB 4.44Å; V327-L339 HydrophobicContact CG1-CB 3.97Å; V327-L339 HydrophobicContact CG2-CB 4.27Å; V327-Q340 HydrophobicContact CG1-CB 4.42Å; V327-Q340 HydrophobicContact CG1-CG 3.46Å; V327-Q340 VanDerWaalsContact CG1-CG 3.46Å; V327-F343 HydrophobicContact CG2-CD2 3.41Å; V327-F343 VanDerWaalsContact CG2-CD2 3.41Å; V327-F343 HydrophobicContact CG2-CE2 3.54Å; V327-F343 HydrophobicContact CG2-CG 4.32Å; V327-Y370 HydrophobicContact CG2-CE2 4.36Å
328H90.2Very high90.9Very high0 Ų027.3 Ų27.30%014%0.137CC..Hα-helixtrans-113-3-167.6-45.4-48.4000116.1N324 I325 Q340 Y370 N373 L1034 A1036N324-H328 VanDerWaalsContact O-CB 3.25Å; N324-H328 WeakPolarHBondContact O-CB 3.41Å; N324-H328 PolarHBondContact O-CD2 2.89Å; N324-H328 VanDerWaalsContact O-CD2 3.28Å; N324-H328 PolarHBondContact O-N 2.85Å; I325-H328 PolarHBondContact O-N 3.42Å; H328-Q340 PolarHBondContact CE1-NE2 3.16Å; H328-Q340 VanDerWaalsContact CE1-NE2 3.34Å; H328-Y370 AromaticContact NE2-CD2 3.42Å; H328-Y370 WeakPolarHBondContact NE2-CD2 3.36Å; H328-Y370 AromaticContact NE2-CE2 3.73Å; H328-Y370 AromaticContact NE2-CG 3.96Å; H328-N373 HydrophobicContact CB-CB 4.36Å; H328-N373 WeakPolarHBondContact CD2-CB 3.29Å; H328-N373 PolarHBondContact CD2-ND2 3.42Å; H328-L1034 HydrophobicContact CB-CD2 4.13Å; H328-A1036 HydrophobicContact CB-CB 3.83Å
329S88.2Confident91Very high5 Ų527 Ų274%0.03514%0.135CC..SBendtrans-81-17.7174.981.60000113.8H274 I325H274-S329 PolarHBondContact CD2-OG 2.97Å; I325-S329 WeakPolarHBondContact O-CB 3.24Å; I325-S329 PolarHBondContact O-N 2.93Å; I325-S329 PolarHBondContact O-OG 3.18Å; I325-S329 VanDerWaalsContact O-OG 3.04Å
330T85.6Confident90.8Very high18 Ų1828 Ų2811%0.1114%0.139CC..  trans-68137.8175.6-177.90000111.3D332 L335 R336T330-D332 VanDerWaalsContact C-N 3.34Å; T330-D332 WeakPolarHBondContact CG2-O 3.36Å; T330-D332 PolarHBondContact OG1-N 3.02Å; T330-D332 VanDerWaalsContact OG1-N 3.17Å; T330-L335 HydrophobicContact CG2-CB 4.45Å; T330-L335 HydrophobicContact CG2-CG 4.4Å; T330-R336 HydrophobicContact CG2-CB 3.88Å
331D79Confident90.7Very high80 Ų8031.3 Ų31.343%0.42816%0.155SC..SBendtrans-82.7-13.7172.5-65.7-48000112.3I333 F1009 R1012D331-I333 PolarHBondContact O-N 3.37Å; D331-F1009 VanDerWaalsContact OD2-CE2 3.29Å; D331-F1009 WeakPolarHBondContact OD2-CE2 3.25Å; D331-R1012 WeakPolarHBondContact OD1-CD 3.29Å; D331-R1012 IonicContact OD1-CZ 3.58Å; D331-R1012 IonicContact OD1-NH1 3.89Å; D331-R1012 PolarHBondContact OD1-NH1 3.09Å
332D83.3Confident90.7Very high78 Ų7832.2 Ų32.242%0.41716%0.159SC..  trans-78.6108.3170.7178.7-0.2000110.5T330 M334 L335 R336T330-D332 VanDerWaalsContact C-N 3.34Å; T330-D332 WeakPolarHBondContact CG2-O 3.36Å; T330-D332 PolarHBondContact OG1-N 3.02Å; T330-D332 VanDerWaalsContact OG1-N 3.17Å; D332-M334 VanDerWaalsContact C-N 3.3Å; D332-M334 PolarHBondContact O-N 3.07Å; D332-M334 WeakPolarHBondContact OD1-CA 3.32Å; D332-M334 WeakPolarHBondContact OD1-CB 3.48Å; D332-M334 PolarHBondContact OD1-N 3.04Å; D332-L335 HydrophobicContact CB-CB 3.91Å; D332-L335 PolarHBondContact O-N 2.76Å; D332-L335 PolarHBondContact OD1-N 3.45Å; D332-L335 WeakPolarHBondContact OD2-CB 3.34Å; D332-R336 PolarHBondContact O-N 2.92Å
333I84.6Confident90.7Very high59 Ų5932.2 Ų32.230%0.30316%0.159SC..Hα-helixtrans-63.8-32.6178.7-165.562.3000112.7D331 R336 V337 V375 L380D331-I333 PolarHBondContact O-N 3.37Å; I333-R336 PolarHBondContact O-N 3.11Å; I333-V337 WeakPolarHBondContact O-CG2 3.5Å; I333-V337 PolarHBondContact O-N 3.35Å; I333-V375 HydrophobicContact CD1-CB 4.43Å; I333-V375 HydrophobicContact CD1-CG1 3.81Å; I333-V375 HydrophobicContact CD1-CG2 3.68Å; I333-V375 HydrophobicContact CG1-CG1 4.27Å; I333-L380 HydrophobicContact CG1-CD2 4.07Å
334M85.9Confident90.5Very high120 Ų12036.6 Ų36.659%0.59118%0.178SC*.Hα-helixtrans-71.2-42.9179-62.4-64-7200110.1D332 R336 V337 Y338D332-M334 VanDerWaalsContact C-N 3.3Å; D332-M334 PolarHBondContact O-N 3.07Å; D332-M334 WeakPolarHBondContact OD1-CA 3.32Å; D332-M334 WeakPolarHBondContact OD1-CB 3.48Å; D332-M334 PolarHBondContact OD1-N 3.04Å; M334-R336 VanDerWaalsContact C-N 3.33Å; M334-R336 PolarHBondContact O-N 3.47Å; M334-V337 PolarHBondContact O-N 3.16Å; M334-Y338 WeakPolarHBondContact O-CB 3.41Å; M334-Y338 PolarHBondContact O-N 3.2Å
335L90.4Very high90.5Very high46 Ų4641.7 Ų41.724%0.24120%0.202CC..Hα-helixtrans-63.4-38.1172.7-177.957.8000111.9L278 T330 D332 Y338 L339L278-L335 HydrophobicContact CD1-CD2 4.38Å; T330-L335 HydrophobicContact CG2-CB 4.45Å; T330-L335 HydrophobicContact CG2-CG 4.4Å; D332-L335 HydrophobicContact CB-CB 3.91Å; D332-L335 PolarHBondContact O-N 2.76Å; D332-L335 PolarHBondContact OD1-N 3.45Å; D332-L335 WeakPolarHBondContact OD2-CB 3.34Å; L335-Y338 HydrophobicContact CD1-CD1 4.48Å; L335-Y338 PolarHBondContact O-N 2.84Å; L335-L339 HydrophobicContact CD1-CD1 4.07Å; L335-L339 HydrophobicContact CD1-CG 4.21Å; L335-L339 HydrophobicContact CG-CD1 3.9Å; L335-L339 HydrophobicContact CG-CG 4.5Å; L335-L339 WeakPolarHBondContact O-CB 3.47Å; L335-L339 WeakPolarHBondContact O-CD1 3.48Å; L335-L339 VanDerWaalsContact O-CG 3.25Å; L335-L339 WeakPolarHBondContact O-CG 3.41Å; L335-L339 PolarHBondContact O-N 3.48Å
336R91.4Very high90.5Very high4 Ų441.9 Ų41.92%0.01520%0.203CC..Hα-helixtrans-62.4-46.6174.2177169173-1621.5112.2V327 T330 D332 I333 M334 L339 Q340 N373 V375 E1037 V1038V327-R336 WeakPolarHBondContact O-CG 3.31Å; T330-R336 HydrophobicContact CG2-CB 3.88Å; D332-R336 PolarHBondContact O-N 2.92Å; I333-R336 PolarHBondContact O-N 3.11Å; M334-R336 VanDerWaalsContact C-N 3.33Å; M334-R336 PolarHBondContact O-N 3.47Å; R336-L339 PolarHBondContact O-N 3.4Å; R336-Q340 WeakPolarHBondContact O-CB 3.38Å; R336-Q340 WeakPolarHBondContact O-CG 3.36Å; R336-Q340 PolarHBondContact O-N 2.75Å; R336-N373 PolarHBondContact NH2-O 3.13Å; R336-V375 HydrophobicContact CG-CG2 3.87Å; R336-E1037 PolarHBondContact NH1-O 3.45Å; R336-V1038 VanDerWaalsContact NH2-CG2 3.34Å
337V90.9Very high90.5Very high34 Ų3442.6 Ų42.621%0.20621%0.21CC..Hα-helixtrans-63-44176170.40000110.9I333 M334 L339 Q340 E341 V375 V377I333-V337 WeakPolarHBondContact O-CG2 3.5Å; I333-V337 PolarHBondContact O-N 3.35Å; M334-V337 PolarHBondContact O-N 3.16Å; V337-L339 PolarHBondContact O-N 3Å; V337-Q340 PolarHBondContact O-N 2.94Å; V337-E341 PolarHBondContact O-N 3.44Å; V337-V375 HydrophobicContact CG2-CB 3.88Å; V337-V375 HydrophobicContact CG2-CG1 3.64Å; V337-V375 HydrophobicContact CG2-CG2 4.4Å; V337-V377 HydrophobicContact CG1-CG2 3.95Å; V337-V377 HydrophobicContact CG2-CG2 3.97Å
338Y93.5Very high90.5Very high116 Ų11642.6 Ų42.646%0.45521%0.21SC..Hα-helixtrans-58.1-46.4175.1176.4-88.1000111.9M334 L335 E341 E342M334-Y338 WeakPolarHBondContact O-CB 3.41Å; M334-Y338 PolarHBondContact O-N 3.2Å; L335-Y338 HydrophobicContact CD1-CD1 4.48Å; L335-Y338 PolarHBondContact O-N 2.84Å; Y338-E341 PolarHBondContact O-N 2.97Å; Y338-E342 WeakPolarHBondContact O-CB 3.43Å; Y338-E342 PolarHBondContact O-N 3Å
339L94.6Very high90.6Very high0 Ų044.7 Ų44.70%022%0.223CC..Hα-helixtrans-65.9-40.6177.7-75.3165000112.1L278 R293 V326 V327 L335 R336 V337 E342 F343L278-L339 HydrophobicContact CD2-CD2 4.17Å; R293-L339 VanDerWaalsContact NH2-CD2 3.31Å; V326-L339 WeakPolarHBondContact O-CD1 3.03Å; V327-L339 HydrophobicContact CB-CB 4.44Å; V327-L339 HydrophobicContact CG1-CB 3.97Å; V327-L339 HydrophobicContact CG2-CB 4.27Å; L335-L339 HydrophobicContact CD1-CD1 4.07Å; L335-L339 HydrophobicContact CD1-CG 4.21Å; L335-L339 HydrophobicContact CG-CD1 3.9Å; L335-L339 HydrophobicContact CG-CG 4.5Å; L335-L339 WeakPolarHBondContact O-CB 3.47Å; L335-L339 WeakPolarHBondContact O-CD1 3.48Å; L335-L339 VanDerWaalsContact O-CG 3.25Å; L335-L339 WeakPolarHBondContact O-CG 3.41Å; L335-L339 PolarHBondContact O-N 3.48Å; R336-L339 PolarHBondContact O-N 3.4Å; V337-L339 PolarHBondContact O-N 3Å; L339-E342 PolarHBondContact O-N 2.67Å; L339-F343 WeakPolarHBondContact O-CD2 3.27Å; L339-F343 PolarHBondContact O-N 2.86Å
340Q93.3Very high90.7Very high20 Ų2050.4 Ų50.49%0.09325%0.253CS..Hα-helixtrans-59.2-47174.4-78.2172.6-36.800111.5V327 H328 R336 V337 F343 K344 N373V327-Q340 HydrophobicContact CG1-CB 4.42Å; V327-Q340 HydrophobicContact CG1-CG 3.46Å; V327-Q340 VanDerWaalsContact CG1-CG 3.46Å; H328-Q340 PolarHBondContact CE1-NE2 3.16Å; H328-Q340 VanDerWaalsContact CE1-NE2 3.34Å; R336-Q340 WeakPolarHBondContact O-CB 3.38Å; R336-Q340 WeakPolarHBondContact O-CG 3.36Å; R336-Q340 PolarHBondContact O-N 2.75Å; V337-Q340 PolarHBondContact O-N 2.94Å; Q340-F343 PolarHBondContact O-N 3.28Å; Q340-K344 WeakPolarHBondContact O-CB 3.46Å; Q340-K344 PolarHBondContact O-N 3.49Å; Q340-N373 PolarHBondContact NE2-O 3.47Å
341E92.4Very high91.1Very high71 Ų7150 Ų5033%0.33225%0.25SC..Hα-helixtrans-64.5-40.1175-77.3-61.2143.800112V337 Y338 F343 K344 H345V337-E341 PolarHBondContact O-N 3.44Å; Y338-E341 PolarHBondContact O-N 2.97Å; E341-F343 PolarHBondContact O-N 3.24Å; E341-K344 WeakPolarHBondContact O-CB 3.4Å; E341-K344 PolarHBondContact O-N 3.44Å; E341-K344 WeakPolarHBondContact OE1-CD 3.31Å; E341-K344 WeakPolarHBondContact OE1-CE 3.4Å; E341-K344 IonicContact OE1-NZ 2.59Å; E341-K344 PolarHBondContact OE1-NZ 3.39Å; E341-K344 IonicContact OE2-NZ 3.53Å; E341-H345 WeakPolarHBondContact O-CB 3.4Å; E341-H345 PolarHBondContact O-N 3.38Å; E341-H345 PolarHBondContact O-ND1 3.11Å; E341-H345 IonicContact OE2-CE1 2.61Å; E341-H345 PolarHBondContact OE2-CE1 2.9Å; E341-H345 VanDerWaalsContact OE2-CE1 3.31Å; E341-H345 IonicContact OE2-ND1 3.68Å
342E94.1Very high91.8Very high24 Ų2446.3 Ų46.311%0.11223%0.23CC..Hα-helixtrans-59.8-47.9176.3-174.1171.1-150.900112R293 Y338 L339 K344 H345 L346R293-E342 WeakPolarHBondContact CG-OE1 3.41Å; R293-E342 IonicContact CZ-OE1 3.12Å; R293-E342 IonicContact CZ-OE2 3.38Å; R293-E342 VanDerWaalsContact CZ-OE2 3.25Å; R293-E342 VanDerWaalsContact NE-CD 3.35Å; R293-E342 IonicContact NE-OE1 2.77Å; R293-E342 PolarHBondContact NE-OE1 2.92Å; R293-E342 VanDerWaalsContact NE-OE1 3.08Å; R293-E342 IonicContact NE-OE2 2.71Å; R293-E342 PolarHBondContact NE-OE2 3.24Å; R293-E342 IonicContact NH2-OE2 3.73Å; R293-E342 PolarHBondContact NH2-OE2 2.85Å; Y338-E342 WeakPolarHBondContact O-CB 3.43Å; Y338-E342 PolarHBondContact O-N 3Å; L339-E342 PolarHBondContact O-N 2.67Å; E342-K344 VanDerWaalsContact C-N 3.34Å; E342-K344 PolarHBondContact O-N 2.96Å; E342-H345 PolarHBondContact O-N 3.04Å; E342-L346 WeakPolarHBondContact O-CG 3.21Å; E342-L346 PolarHBondContact O-N 3.38Å
343F95.7Very high92.2Very high0 Ų046.5 Ų46.50%024%0.237CC..Hα-helixtrans-67-32.4176-85.5-79000113.2F294 I298 F323 V326 V327 L339 Q340 E341 L346 G347 L348F294-F343 HydrophobicContact CB-CE1 4.33Å; F294-F343 HydrophobicContact CB-CZ 4.35Å; F294-F343 HydrophobicContact CD1-CZ 4.19Å; F294-F343 HydrophobicContact CD2-CE1 4.35Å; F294-F343 AromaticContact CD2-CE2 3.97Å; F294-F343 HydrophobicContact CD2-CE2 3.97Å; F294-F343 AromaticContact CD2-CZ 3.68Å; F294-F343 HydrophobicContact CD2-CZ 3.68Å; F294-F343 HydrophobicContact CE1-CZ 4.4Å; F294-F343 AromaticContact CE2-CE2 3.88Å; F294-F343 HydrophobicContact CE2-CE2 3.88Å; F294-F343 AromaticContact CE2-CZ 3.92Å; F294-F343 HydrophobicContact CE2-CZ 3.92Å; F294-F343 HydrophobicContact CG-CE1 4.3Å; F294-F343 AromaticContact CG-CZ 3.83Å; F294-F343 HydrophobicContact CG-CZ 3.83Å; F294-F343 HydrophobicContact CZ-CE2 4.4Å; F294-F343 HydrophobicContact CZ-CZ 4.28Å; I298-F343 HydrophobicContact CD1-CD1 3.87Å; I298-F343 HydrophobicContact CD1-CE1 3.98Å; I298-F343 HydrophobicContact CG1-CD1 4.34Å; I298-F343 HydrophobicContact CG1-CE1 4.27Å; F323-F343 HydrophobicContact CD1-CD1 4.33Å; F323-F343 AromaticContact CD1-CE1 3.44Å; F323-F343 HydrophobicContact CD1-CE1 3.44Å; F323-F343 VanDerWaalsContact CD1-CE1 3.44Å; F323-F343 AromaticContact CD1-CZ 3.79Å; F323-F343 HydrophobicContact CD1-CZ 3.79Å; F323-F343 AromaticContact CE1-CE1 3.65Å; F323-F343 HydrophobicContact CE1-CE1 3.65Å; F323-F343 HydrophobicContact CE1-CZ 4.25Å; F323-F343 HydrophobicContact CG-CE1 4.11Å; F323-F343 HydrophobicContact CZ-CE1 4.45Å; V326-F343 HydrophobicContact CG1-CE2 3.94Å; V326-F343 HydrophobicContact CG1-CZ 4.04Å; V327-F343 HydrophobicContact CG2-CD2 3.41Å; V327-F343 VanDerWaalsContact CG2-CD2 3.41Å; V327-F343 HydrophobicContact CG2-CE2 3.54Å; V327-F343 HydrophobicContact CG2-CG 4.32Å; L339-F343 WeakPolarHBondContact O-CD2 3.27Å; L339-F343 PolarHBondContact O-N 2.86Å; Q340-F343 PolarHBondContact O-N 3.28Å; E341-F343 PolarHBondContact O-N 3.24Å; F343-L346 PolarHBondContact O-N 3.49Å; F343-G347 PolarHBondContact O-N 3.49Å; F343-L348 HydrophobicContact CB-CB 4.33Å; F343-L348 HydrophobicContact CB-CD2 4.07Å; F343-L348 HydrophobicContact CD1-CD2 3.78Å; F343-L348 HydrophobicContact CG-CD2 4.2Å; F343-L348 VanDerWaalsContact O-CB 3.22Å; F343-L348 WeakPolarHBondContact O-CB 3.44Å; F343-L348 PolarHBondContact O-N 2.93Å
344K93.1Very high92.5Very high91 Ų9150.1 Ų50.140%0.39625%0.247SC..Hα-helixtrans-68.1-40.3173.5-178.8176.8170.6-176.20112Q340 E341 E342 L346 G347 V349Q340-K344 WeakPolarHBondContact O-CB 3.46Å; Q340-K344 PolarHBondContact O-N 3.49Å; E341-K344 WeakPolarHBondContact O-CB 3.4Å; E341-K344 PolarHBondContact O-N 3.44Å; E341-K344 WeakPolarHBondContact OE1-CD 3.31Å; E341-K344 WeakPolarHBondContact OE1-CE 3.4Å; E341-K344 IonicContact OE1-NZ 2.59Å; E341-K344 PolarHBondContact OE1-NZ 3.39Å; E341-K344 IonicContact OE2-NZ 3.53Å; E342-K344 VanDerWaalsContact C-N 3.34Å; E342-K344 PolarHBondContact O-N 2.96Å; K344-L346 VanDerWaalsContact C-N 3.33Å; K344-G347 WeakPolarHBondContact O-CA 3.42Å; K344-G347 PolarHBondContact O-N 2.94Å; K344-V349 HydrophobicContact CB-CG2 4.12Å; K344-V349 HydrophobicContact CG-CG2 4.18Å
345H93.3Very high92.7Very high108 Ų10844.6 Ų44.650%0.522%0.22SC..Hα-helixtrans-66.8-31.7172.7-76.981.5000112.7E341 E342 G347E341-H345 WeakPolarHBondContact O-CB 3.4Å; E341-H345 PolarHBondContact O-N 3.38Å; E341-H345 PolarHBondContact O-ND1 3.11Å; E341-H345 IonicContact OE2-CE1 2.61Å; E341-H345 PolarHBondContact OE2-CE1 2.9Å; E341-H345 VanDerWaalsContact OE2-CE1 3.31Å; E341-H345 IonicContact OE2-ND1 3.68Å; E342-H345 PolarHBondContact O-N 3.04Å; H345-G347 PolarHBondContact O-N 3.03Å
346L93.7Very high92.7Very high6 Ų646.4 Ų46.43%0.03122%0.224CC..THydrogen-bonded Turntrans-70.8-4.8168.2-71.3169.2000113.5L137 T292 F294 I298 E342 F343 K344L137-L346 HydrophobicContact CD1-CD2 4.24Å; T292-L346 WeakPolarHBondContact OG1-CD2 2.88Å; F294-L346 HydrophobicContact CB-CD1 4.08Å; I298-L346 HydrophobicContact CG1-CB 4.21Å; I298-L346 HydrophobicContact CG1-CD1 4.09Å; I298-L346 HydrophobicContact CG2-CB 4.32Å; E342-L346 WeakPolarHBondContact O-CG 3.21Å; E342-L346 PolarHBondContact O-N 3.38Å; F343-L346 PolarHBondContact O-N 3.49Å; K344-L346 VanDerWaalsContact C-N 3.33Å
347G93.1Very high92.5Very high14 Ų1453.4 Ų53.414%0.14426%0.262CS..THydrogen-bonded Turntrans879.8175.600000115.2F343 K344 H345 V349 N350 Y351F343-G347 PolarHBondContact O-N 3.49Å; K344-G347 WeakPolarHBondContact O-CA 3.42Å; K344-G347 PolarHBondContact O-N 2.94Å; H345-G347 PolarHBondContact O-N 3.03Å; G347-V349 PolarHBondContact O-N 3.31Å; G347-N350 PolarHBondContact O-N 2.94Å; G347-Y351 PolarHBondContact O-N 2.91Å
348L94.6Very high92.2Very high0 Ų058.7 Ų58.70%028%0.284CS..Hα-helixtrans-56.2-51.5-174.1-179.660.1000111.7I298 F301 F302 F323 F343 N350 Y351 L352 Y370I298-L348 HydrophobicContact CD1-CB 4.25Å; I298-L348 HydrophobicContact CD1-CD1 4.03Å; I298-L348 HydrophobicContact CD1-CG 4.49Å; F301-L348 HydrophobicContact CD1-CD1 4.04Å; F301-L348 HydrophobicContact CE1-CD1 3.77Å; F302-L348 HydrophobicContact CE1-CD1 4.37Å; F323-L348 HydrophobicContact CB-CD2 4.4Å; F323-L348 HydrophobicContact CD2-CD1 4.07Å; F323-L348 HydrophobicContact CD2-CD2 3.83Å; F323-L348 HydrophobicContact CE2-CD1 3.98Å; F323-L348 HydrophobicContact CE2-CD2 4.39Å; F323-L348 HydrophobicContact CG-CD2 4.21Å; F343-L348 HydrophobicContact CB-CB 4.33Å; F343-L348 HydrophobicContact CB-CD2 4.07Å; F343-L348 HydrophobicContact CD1-CD2 3.78Å; F343-L348 HydrophobicContact CG-CD2 4.2Å; F343-L348 VanDerWaalsContact O-CB 3.22Å; F343-L348 WeakPolarHBondContact O-CB 3.44Å; F343-L348 PolarHBondContact O-N 2.93Å; L348-N350 VanDerWaalsContact C-N 3.35Å; L348-N350 PolarHBondContact O-N 3.33Å; L348-Y351 WeakPolarHBondContact O-CA 3.43Å; L348-Y351 WeakPolarHBondContact O-CB 3.43Å; L348-Y351 PolarHBondContact O-N 3.39Å; L348-L352 HydrophobicContact CD1-CD1 4.29Å; L348-L352 HydrophobicContact CD1-CD2 3.92Å; L348-L352 HydrophobicContact CD1-CG 3.96Å; L348-L352 HydrophobicContact CG-CD1 4.05Å; L348-L352 HydrophobicContact CG-CG 4.08Å; L348-L352 WeakPolarHBondContact O-CG 3.5Å; L348-L352 PolarHBondContact O-N 2.97Å; L348-Y370 HydrophobicContact CD2-CE2 4.13Å
349V91.8Very high91.7Very high44 Ų4453.9 Ų53.927%0.26727%0.268SS..Hα-helixtrans-55.5-47.8-176.7-177.30000111.7K344 G347 Y351 L352 S353K344-V349 HydrophobicContact CB-CG2 4.12Å; K344-V349 HydrophobicContact CG-CG2 4.18Å; G347-V349 PolarHBondContact O-N 3.31Å; V349-Y351 VanDerWaalsContact C-N 3.27Å; V349-Y351 PolarHBondContact O-N 2.94Å; V349-L352 PolarHBondContact O-N 3.13Å; V349-S353 PolarHBondContact O-N 2.89Å; V349-S353 PolarHBondContact O-OG 3.17Å; V349-S353 VanDerWaalsContact O-OG 3.13Å
350N91.5Very high91.2Very high126 Ų12655.2 Ų55.267%0.67428%0.281SS*.Hα-helixtrans-60.5-35.8177.8-67.2-31.3000112.6G347 L348 R354G347-N350 PolarHBondContact O-N 2.94Å; L348-N350 VanDerWaalsContact C-N 3.35Å; L348-N350 PolarHBondContact O-N 3.33Å; N350-R354 PolarHBondContact O-N 3.28Å
351Y93.2Very high91Very high9 Ų960.2 Ų60.24%0.03531%0.309CS..Hα-helixtrans-71.6-44.1175.6-177.3-96.9000111.7F301 F302 E305 M316 G347 L348 V349 S353 R354 I355F301-Y351 AromaticContact CD1-CD1 3.95Å; F301-Y351 HydrophobicContact CD1-CD1 3.95Å; F301-Y351 AromaticContact CD1-CE1 3.73Å; F301-Y351 HydrophobicContact CD1-CE1 3.73Å; F301-Y351 AromaticContact CE1-CD1 3.67Å; F301-Y351 HydrophobicContact CE1-CD1 3.67Å; F301-Y351 AromaticContact CE1-CE1 3.55Å; F301-Y351 HydrophobicContact CE1-CE1 3.55Å; F301-Y351 HydrophobicContact CG-CE1 4.5Å; F301-Y351 HydrophobicContact CZ-CE1 4.19Å; F301-Y351 PolarHBondContact O-OH 3.46Å; F302-Y351 HydrophobicContact CB-CD2 4.32Å; F302-Y351 HydrophobicContact CB-CE2 4.04Å; F302-Y351 AromaticContact CD1-CD1 3.58Å; F302-Y351 HydrophobicContact CD1-CD1 3.58Å; F302-Y351 AromaticContact CD1-CD2 3.48Å; F302-Y351 HydrophobicContact CD1-CD2 3.48Å; F302-Y351 VanDerWaalsContact CD1-CD2 3.48Å; F302-Y351 AromaticContact CD1-CE1 3.87Å; F302-Y351 HydrophobicContact CD1-CE1 3.87Å; F302-Y351 AromaticContact CD1-CE2 3.78Å; F302-Y351 HydrophobicContact CD1-CE2 3.78Å; F302-Y351 AromaticContact CD1-CG 3.37Å; F302-Y351 HydrophobicContact CD1-CG 3.37Å; F302-Y351 AromaticContact CD1-CZ 3.97Å; F302-Y351 AromaticContact CE1-CD1 3.64Å; F302-Y351 HydrophobicContact CE1-CD1 3.64Å; F302-Y351 AromaticContact CE1-CD2 3.9Å; F302-Y351 HydrophobicContact CE1-CD2 3.9Å; F302-Y351 HydrophobicContact CE1-CE1 4.36Å; F302-Y351 AromaticContact CE1-CG 3.36Å; F302-Y351 HydrophobicContact CE1-CG 3.36Å; F302-Y351 AromaticContact CG-CD2 3.9Å; F302-Y351 HydrophobicContact CG-CD2 3.9Å; F302-Y351 HydrophobicContact CG-CE2 4.1Å; F302-Y351 HydrophobicContact CG-CG 4.23Å; F302-Y351 HydrophobicContact CZ-CG 4.2Å; E305-Y351 WeakPolarHBondContact CB-OH 3.43Å; M316-Y351 HydrophobicContact CE-CE1 4.3Å; G347-Y351 PolarHBondContact O-N 2.91Å; L348-Y351 WeakPolarHBondContact O-CA 3.43Å; L348-Y351 WeakPolarHBondContact O-CB 3.43Å; L348-Y351 PolarHBondContact O-N 3.39Å; V349-Y351 VanDerWaalsContact C-N 3.27Å; V349-Y351 PolarHBondContact O-N 2.94Å; Y351-S353 VanDerWaalsContact C-N 3.34Å; Y351-S353 PolarHBondContact O-N 3.02Å; Y351-R354 WeakPolarHBondContact O-CA 3.31Å; Y351-R354 WeakPolarHBondContact O-CB 3.42Å; Y351-R354 PolarHBondContact O-N 3.36Å; Y351-I355 HydrophobicContact CD1-CD1 4.15Å; Y351-I355 HydrophobicContact CD1-CG1 4.42Å; Y351-I355 HydrophobicContact CD1-CG2 4.36Å; Y351-I355 HydrophobicContact CE1-CD1 3.75Å; Y351-I355 HydrophobicContact CE1-CG1 4.34Å; Y351-I355 HydrophobicContact CE1-CG2 3.98Å; Y351-I355 HydrophobicContact CE2-CG2 4.25Å; Y351-I355 PolarHBondContact O-N 2.85Å
352L93.6Very high90.9Very high2 Ų261.4 Ų61.41%0.0131%0.31CS..Hα-helixtrans-58.6-44.2176.6-62.7-172.2000111.6F301 M320 L348 V349 R354 I355 Y356 I367 Y370F301-L352 HydrophobicContact CE1-CD2 3.94Å; F301-L352 HydrophobicContact CZ-CD2 4.23Å; M320-L352 HydrophobicContact CE-CD1 3.67Å; M320-L352 HydrophobicContact CE-CD2 4.45Å; M320-L352 HydrophobicContact SD-CD1 4.03Å; M320-L352 HydrophobicContact SD-CD2 3.7Å; L348-L352 HydrophobicContact CD1-CD1 4.29Å; L348-L352 HydrophobicContact CD1-CD2 3.92Å; L348-L352 HydrophobicContact CD1-CG 3.96Å; L348-L352 HydrophobicContact CG-CD1 4.05Å; L348-L352 HydrophobicContact CG-CG 4.08Å; L348-L352 WeakPolarHBondContact O-CG 3.5Å; L348-L352 PolarHBondContact O-N 2.97Å; V349-L352 PolarHBondContact O-N 3.13Å; L352-R354 PolarHBondContact O-N 3.03Å; L352-I355 HydrophobicContact CD2-CD1 4.32Å; L352-I355 PolarHBondContact O-N 3.28Å; L352-Y356 WeakPolarHBondContact O-CB 3.32Å; L352-Y356 PolarHBondContact O-N 2.92Å; L352-I367 HydrophobicContact CB-CG2 4.24Å; L352-I367 HydrophobicContact CD1-CG2 4.47Å; L352-I367 HydrophobicContact CD2-CD1 4.26Å; L352-I367 HydrophobicContact CD2-CG1 4.13Å; L352-Y370 HydrophobicContact CD1-CD1 3.96Å; L352-Y370 HydrophobicContact CD1-CE1 4.4Å; L352-Y370 HydrophobicContact CD1-CG 4.34Å
353S91.8Very high90.8Very high83 Ų8360.3 Ų60.358%0.5831%0.305SS*.Hα-helixtrans-60.2-32.7174.2-52.80000113.1V349 Y351V349-S353 PolarHBondContact O-N 2.89Å; V349-S353 PolarHBondContact O-OG 3.17Å; V349-S353 VanDerWaalsContact O-OG 3.13Å; Y351-S353 VanDerWaalsContact C-N 3.34Å; Y351-S353 PolarHBondContact O-N 3.02Å
354R91.3Very high90.6Very high135 Ų13562.1 Ų62.151%0.50932%0.315SS..Hα-helixtrans-71.3-42.7177.4-168.6-174.880.5-168.410.3112.3E305 N350 Y351 L352E305-R354 IonicContact OE2-CZ 2.74Å; E305-R354 IonicContact OE2-NE 3.67Å; E305-R354 IonicContact OE2-NH2 3.23Å; E305-R354 PolarHBondContact OE2-NH2 3.38Å; N350-R354 PolarHBondContact O-N 3.28Å; Y351-R354 WeakPolarHBondContact O-CA 3.31Å; Y351-R354 WeakPolarHBondContact O-CB 3.42Å; Y351-R354 PolarHBondContact O-N 3.36Å; L352-R354 PolarHBondContact O-N 3.03Å
355I90.2Very high90.5Very high4 Ų462.9 Ų62.92%0.02132%0.315CS..Hα-helixtrans-89.2-8.5-175.269.3162.9000113.8F301 E305 M316 Y351 L352 N357 Q358 S359 L363 I367F301-I355 HydrophobicContact CZ-CD1 4.45Å; E305-I355 WeakPolarHBondContact OE1-CG2 3.34Å; M316-I355 HydrophobicContact CE-CD1 4.41Å; Y351-I355 HydrophobicContact CD1-CD1 4.15Å; Y351-I355 HydrophobicContact CD1-CG1 4.42Å; Y351-I355 HydrophobicContact CD1-CG2 4.36Å; Y351-I355 HydrophobicContact CE1-CD1 3.75Å; Y351-I355 HydrophobicContact CE1-CG1 4.34Å; Y351-I355 HydrophobicContact CE1-CG2 3.98Å; Y351-I355 HydrophobicContact CE2-CG2 4.25Å; Y351-I355 PolarHBondContact O-N 2.85Å; L352-I355 HydrophobicContact CD2-CD1 4.32Å; L352-I355 PolarHBondContact O-N 3.28Å; I355-N357 PolarHBondContact O-N 2.96Å; I355-Q358 CarbonylContact O-C 3.56Å; I355-Q358 WeakPolarHBondContact O-CA 3.34Å; I355-Q358 PolarHBondContact O-N 2.97Å; I355-S359 PolarHBondContact O-N 3.25Å; I355-S359 PolarHBondContact O-OG 3.24Å; I355-L363 HydrophobicContact CD1-CD2 4.22Å; I355-I367 HydrophobicContact CD1-CD1 3.86Å; I355-I367 HydrophobicContact CG1-CD1 4.02Å
356Y90.3Very high90.4Very high83 Ų8358.1 Ų58.133%0.32529%0.293SS..G310 helixtrans-47.7-57.4-175.2-167.4-84.8000112.6L352 Q358 S359 L364 I367 E368L352-Y356 WeakPolarHBondContact O-CB 3.32Å; L352-Y356 PolarHBondContact O-N 2.92Å; Y356-Q358 PolarHBondContact O-N 3.45Å; Y356-S359 PolarHBondContact O-N 3.39Å; Y356-L364 HydrophobicContact CD1-CD1 4.21Å; Y356-L364 HydrophobicContact CD2-CD1 4.15Å; Y356-L364 HydrophobicContact CE1-CD1 3.97Å; Y356-L364 HydrophobicContact CE2-CD1 3.93Å; Y356-L364 HydrophobicContact CG-CD1 4.28Å; Y356-I367 HydrophobicContact CD2-CG2 3.84Å; Y356-I367 HydrophobicContact CE2-CG2 4.18Å; Y356-E368 HydrophobicContact CE2-CG 4.47Å
357N86.5Confident90.4Very high152 Ų15257.9 Ų57.981%0.81329%0.292SS*.G310 helixtrans-74.8-1.3-178.7-64.5-41.2000114.6I355I355-N357 PolarHBondContact O-N 2.96Å
358Q83.6Confident90.3Very high144 Ų14460.4 Ų60.467%0.67330%0.3SS*.G310 helixtrans-116-4.6-178.1-56-175.945.600111.9I355 Y356I355-Q358 CarbonylContact O-C 3.56Å; I355-Q358 WeakPolarHBondContact O-CA 3.34Å; I355-Q358 PolarHBondContact O-N 2.97Å; Y356-Q358 PolarHBondContact O-N 3.45Å
359S83.6Confident90.1Very high15 Ų1560.8 Ų60.811%0.10530%0.303CS..  trans-84130.9-177.4-66.50000111.2I355 Y356 I367I355-S359 PolarHBondContact O-N 3.25Å; I355-S359 PolarHBondContact O-OG 3.24Å; Y356-S359 PolarHBondContact O-N 3.39Å; S359-I367 WeakPolarHBondContact OG-CD1 3.31Å
360G84.1Confident90.1Very high28 Ų2859.2 Ų59.229%0.28929%0.292SS..  trans-71.5157171.100000112.3R362 L363 L364G360-R362 PolarHBondContact O-N 3.38Å; G360-L363 PolarHBondContact O-N 3.09Å; G360-L364 PolarHBondContact O-N 2.61Å
361D88.9Confident90.1Very high125 Ų12556.1 Ų56.167%0.66828%0.276SS*.Hα-helixtrans-47.7-30.6-168.2-47.5-10.5000116.3R365D361-R365 WeakPolarHBondContact O-CB 3.16Å; D361-R365 WeakPolarHBondContact O-CG 3.37Å; D361-R365 PolarHBondContact O-N 3.06Å; D361-R365 PolarHBondContact O-NE 2.99Å
362R90.4Very high89.8Confident97 Ų9760.2 Ų60.237%0.36630%0.298SS..Hα-helixtrans-73.1-37.9177.6-73.4177.563.1-150.2-1.3112.6D314 V317 G360D314-R362 IonicContact OD1-CZ 3.19Å; D314-R362 IonicContact OD1-NH1 2.71Å; D314-R362 PolarHBondContact OD1-NH1 3.14Å; D314-R362 IonicContact OD1-NH2 2.74Å; D314-R362 PolarHBondContact OD1-NH2 3.43Å; V317-R362 HydrophobicContact CG2-CB 3.97Å; G360-R362 PolarHBondContact O-N 3.38Å
363L91.9Very high89.5Confident1 Ų160.2 Ų60.21%0.00530%0.298CS..Hα-helixtrans-80.9-42.6176.6-179.360.1000110.2M316 V317 M320 I355 G360 R365 Q366 I367M316-L363 HydrophobicContact CB-CD1 4.19Å; M316-L363 HydrophobicContact CB-CD2 3.97Å; M316-L363 HydrophobicContact CE-CD2 4.44Å; V317-L363 HydrophobicContact CG2-CB 4.16Å; M320-L363 HydrophobicContact CB-CD1 3.82Å; M320-L363 HydrophobicContact CG-CD1 4.22Å; I355-L363 HydrophobicContact CD1-CD2 4.22Å; G360-L363 PolarHBondContact O-N 3.09Å; L363-R365 VanDerWaalsContact C-N 3.34Å; L363-R365 PolarHBondContact O-N 3.23Å; L363-Q366 WeakPolarHBondContact O-CB 3.34Å; L363-Q366 PolarHBondContact O-N 3.28Å; L363-I367 HydrophobicContact CD1-CD1 4.5Å; L363-I367 HydrophobicContact CD1-CG1 4.5Å; L363-I367 HydrophobicContact CG-CD1 4.03Å; L363-I367 HydrophobicContact CG-CG1 4.44Å; L363-I367 WeakPolarHBondContact O-CG1 3.3Å; L363-I367 PolarHBondContact O-N 2.97Å
364L92.4Very high89.3Confident38 Ų3861.2 Ų61.220%0.19929%0.294CS..Hα-helixtrans-55.8-46.9178.9-175.560.7000111.8Y356 G360 Q366 I367 E368Y356-L364 HydrophobicContact CD1-CD1 4.21Å; Y356-L364 HydrophobicContact CD2-CD1 4.15Å; Y356-L364 HydrophobicContact CE1-CD1 3.97Å; Y356-L364 HydrophobicContact CE2-CD1 3.93Å; Y356-L364 HydrophobicContact CG-CD1 4.28Å; G360-L364 PolarHBondContact O-N 2.61Å; L364-Q366 PolarHBondContact O-N 3.15Å; L364-I367 CarbonylContact O-C 3.48Å; L364-I367 WeakPolarHBondContact O-CA 3.5Å; L364-I367 WeakPolarHBondContact O-CB 3.48Å; L364-I367 PolarHBondContact O-N 3.49Å; L364-E368 HydrophobicContact CD1-CG 4.33Å; L364-E368 HydrophobicContact CG-CG 4.32Å; L364-E368 WeakPolarHBondContact O-CG 3.47Å; L364-E368 PolarHBondContact O-N 2.93Å
365R91Very high89Confident107 Ų10755.5 Ų55.540%0.40427%0.274SS..Hα-helixtrans-57.6-30.5174.4-82.1-179.8-75.8153.9-13.3114.7D361 L363 A369 P1033D361-R365 WeakPolarHBondContact O-CB 3.16Å; D361-R365 WeakPolarHBondContact O-CG 3.37Å; D361-R365 PolarHBondContact O-N 3.06Å; D361-R365 PolarHBondContact O-NE 2.99Å; L363-R365 VanDerWaalsContact C-N 3.34Å; L363-R365 PolarHBondContact O-N 3.23Å; R365-A369 VanDerWaalsContact O-CB 3.31Å; R365-A369 WeakPolarHBondContact O-CB 3.49Å; R365-A369 PolarHBondContact O-N 3.42Å; R365-A369 VanDerWaalsContact O-N 3.16Å; R365-P1033 HydrophobicContact CB-CG 4.29Å
366Q91.9Very high88.8Confident8 Ų859 Ų594%0.03729%0.292CS..Hα-helixtrans-80-30.6175.4-65-72.5-16.700111.5V317 M320 N324 L363 L364 Y370 L1029V317-Q366 HydrophobicContact CG1-CG 4.49Å; M320-Q366 HydrophobicContact CB-CB 3.88Å; M320-Q366 HydrophobicContact CG-CB 3.5Å; N324-Q366 PolarHBondContact ND2-O 3.2Å; N324-Q366 PolarHBondContact ND2-OE1 3.41Å; L363-Q366 WeakPolarHBondContact O-CB 3.34Å; L363-Q366 PolarHBondContact O-N 3.28Å; L364-Q366 PolarHBondContact O-N 3.15Å; Q366-Y370 PolarHBondContact O-N 3.09Å; Q366-L1029 PolarHBondContact NE2-O 3.45Å
367I93.3Very high88.4Confident0 Ų058.1 Ų58.10%030%0.296CS..Hα-helixtrans-70.9-46.3173.4-63.4175.2000110.7M320 L352 I355 Y356 S359 L363 L364 A369 Y370 N371M320-I367 HydrophobicContact CG-CG1 4.21Å; M320-I367 HydrophobicContact SD-CG1 4.23Å; L352-I367 HydrophobicContact CB-CG2 4.24Å; L352-I367 HydrophobicContact CD1-CG2 4.47Å; L352-I367 HydrophobicContact CD2-CD1 4.26Å; L352-I367 HydrophobicContact CD2-CG1 4.13Å; I355-I367 HydrophobicContact CD1-CD1 3.86Å; I355-I367 HydrophobicContact CG1-CD1 4.02Å; Y356-I367 HydrophobicContact CD2-CG2 3.84Å; Y356-I367 HydrophobicContact CE2-CG2 4.18Å; S359-I367 WeakPolarHBondContact OG-CD1 3.31Å; L363-I367 HydrophobicContact CD1-CD1 4.5Å; L363-I367 HydrophobicContact CD1-CG1 4.5Å; L363-I367 HydrophobicContact CG-CD1 4.03Å; L363-I367 HydrophobicContact CG-CG1 4.44Å; L363-I367 WeakPolarHBondContact O-CG1 3.3Å; L363-I367 PolarHBondContact O-N 2.97Å; L364-I367 CarbonylContact O-C 3.48Å; L364-I367 WeakPolarHBondContact O-CA 3.5Å; L364-I367 WeakPolarHBondContact O-CB 3.48Å; L364-I367 PolarHBondContact O-N 3.49Å; I367-A369 VanDerWaalsContact C-N 3.34Å; I367-A369 PolarHBondContact O-N 2.86Å; I367-Y370 WeakPolarHBondContact O-CB 3.4Å; I367-Y370 PolarHBondContact O-N 3.29Å; I367-Y370 VanDerWaalsContact O-N 3.14Å; I367-N371 PolarHBondContact O-N 2.97Å; I367-N371 VanDerWaalsContact O-N 3.11Å; I367-N371 PolarHBondContact O-ND2 3.47Å
368E91.4Very high88Confident68 Ų6853.6 Ų53.632%0.31828%0.279SS..Hα-helixtrans-55.6-49.7173.4-70.9170.1156.800110.2Y356 L364 Y370 N371 D372Y356-E368 HydrophobicContact CE2-CG 4.47Å; L364-E368 HydrophobicContact CD1-CG 4.33Å; L364-E368 HydrophobicContact CG-CG 4.32Å; L364-E368 WeakPolarHBondContact O-CG 3.47Å; L364-E368 PolarHBondContact O-N 2.93Å; E368-Y370 VanDerWaalsContact C-N 3.29Å; E368-Y370 PolarHBondContact O-N 3.47Å; E368-N371 PolarHBondContact O-N 2.59Å; E368-N371 VanDerWaalsContact O-N 3.15Å; E368-D372 WeakPolarHBondContact O-CB 3.38Å; E368-D372 VanDerWaalsContact O-CG 3.3Å; E368-D372 PolarHBondContact O-N 3.41Å
369A89.1Confident87.7Confident7 Ų748.5 Ų48.56%0.05826%0.258CS..Hα-helixtrans-59.7-32.6176.500000114.2R365 I367 N373 P1033R365-A369 VanDerWaalsContact O-CB 3.31Å; R365-A369 WeakPolarHBondContact O-CB 3.49Å; R365-A369 PolarHBondContact O-N 3.42Å; R365-A369 VanDerWaalsContact O-N 3.16Å; I367-A369 VanDerWaalsContact C-N 3.34Å; I367-A369 PolarHBondContact O-N 2.86Å; A369-N373 WeakPolarHBondContact O-CB 3.39Å; A369-N373 PolarHBondContact O-N 3.06Å; A369-N373 PolarHBondContact O-ND2 3.27Å; A369-P1033 HydrophobicContact CB-CB 3.49Å; A369-P1033 VanDerWaalsContact CB-CB 3.49Å; A369-P1033 HydrophobicContact CB-CG 4.29Å
370Y92.2Very high87.4Confident11 Ų1149.8 Ų49.84%0.04326%0.264CS..Hα-helixtrans-69.5-42.3176-172.1-89.3000111.8M320 F323 N324 V327 H328 L348 L352 Q366 I367 E368 N373 E374M320-Y370 HydrophobicContact CE-CD1 4.32Å; M320-Y370 HydrophobicContact CE-CD2 3.53Å; M320-Y370 HydrophobicContact CE-CE2 4.44Å; M320-Y370 HydrophobicContact CE-CG 3.45Å; M320-Y370 VanDerWaalsContact CE-CG 3.45Å; F323-Y370 HydrophobicContact CB-CE2 4.45Å; N324-Y370 WeakPolarHBondContact OD1-CA 3.46Å; N324-Y370 WeakPolarHBondContact OD1-CB 3.31Å; N324-Y370 WeakPolarHBondContact OD1-CD2 3.39Å; N324-Y370 PolarHBondContact OD1-N 2.88Å; V327-Y370 HydrophobicContact CG2-CE2 4.36Å; H328-Y370 AromaticContact NE2-CD2 3.42Å; H328-Y370 WeakPolarHBondContact NE2-CD2 3.36Å; H328-Y370 AromaticContact NE2-CE2 3.73Å; H328-Y370 AromaticContact NE2-CG 3.96Å; L348-Y370 HydrophobicContact CD2-CE2 4.13Å; L352-Y370 HydrophobicContact CD1-CD1 3.96Å; L352-Y370 HydrophobicContact CD1-CE1 4.4Å; L352-Y370 HydrophobicContact CD1-CG 4.34Å; Q366-Y370 PolarHBondContact O-N 3.09Å; I367-Y370 WeakPolarHBondContact O-CB 3.4Å; I367-Y370 PolarHBondContact O-N 3.29Å; I367-Y370 VanDerWaalsContact O-N 3.14Å; E368-Y370 VanDerWaalsContact C-N 3.29Å; E368-Y370 PolarHBondContact O-N 3.47Å; Y370-N373 CarbonylContact O-C 3.59Å; Y370-N373 PolarHBondContact O-N 2.89Å; Y370-E374 PolarHBondContact O-N 3.45Å
371N91.2Very high87.1Confident62 Ų6251.5 Ų51.533%0.33227%0.266SS..Hα-helixtrans-70-44178.8-60.6-18.8000111.2I367 E368 N373 E374I367-N371 PolarHBondContact O-N 2.97Å; I367-N371 VanDerWaalsContact O-N 3.11Å; I367-N371 PolarHBondContact O-ND2 3.47Å; E368-N371 PolarHBondContact O-N 2.59Å; E368-N371 VanDerWaalsContact O-N 3.15Å; N371-N373 PolarHBondContact O-N 2.91Å; N371-N373 VanDerWaalsContact O-N 3.15Å; N371-E374 VanDerWaalsContact O-CB 3.31Å; N371-E374 WeakPolarHBondContact O-CB 3.49Å; N371-E374 PolarHBondContact O-N 3.32Å
372D87.1Confident86.5Confident94 Ų9450.7 Ų50.750%0.50326%0.258SS..Hα-helixtrans-62.7-17.9174-71.6-5.8000112.5E368 V1038E368-D372 WeakPolarHBondContact O-CB 3.38Å; E368-D372 VanDerWaalsContact O-CG 3.3Å; E368-D372 PolarHBondContact O-N 3.41Å; D372-V1038 VanDerWaalsContact O-CG2 3.26Å; D372-V1038 WeakPolarHBondContact O-CG2 3.24Å
373N88.6Confident85.8Confident3 Ų348.5 Ų48.52%0.01625%0.253CS..THydrogen-bonded Turntrans-98.19.4174.6-72.8-34.4000113.3H328 R336 Q340 A369 Y370 N371 L1034 A1036H328-N373 HydrophobicContact CB-CB 4.36Å; H328-N373 WeakPolarHBondContact CD2-CB 3.29Å; H328-N373 PolarHBondContact CD2-ND2 3.42Å; R336-N373 PolarHBondContact NH2-O 3.13Å; Q340-N373 PolarHBondContact NE2-O 3.47Å; A369-N373 WeakPolarHBondContact O-CB 3.39Å; A369-N373 PolarHBondContact O-N 3.06Å; A369-N373 PolarHBondContact O-ND2 3.27Å; Y370-N373 CarbonylContact O-C 3.59Å; Y370-N373 PolarHBondContact O-N 2.89Å; N371-N373 PolarHBondContact O-N 2.91Å; N371-N373 VanDerWaalsContact O-N 3.15Å; N373-L1034 PolarHBondContact ND2-O 2.96Å; N373-A1036 WeakPolarHBondContact OD1-CB 3.5Å; N373-A1036 PolarHBondContact OD1-N 3.42Å
374E86.8Confident85Confident104 Ų10451.3 Ų51.349%0.48627%0.273SS..  trans-62.2136.8175.3-167.8162.8-159.500111Y370 N371 V1038Y370-E374 PolarHBondContact O-N 3.45Å; N371-E374 VanDerWaalsContact O-CB 3.31Å; N371-E374 WeakPolarHBondContact O-CB 3.49Å; N371-E374 PolarHBondContact O-N 3.32Å; E374-V1038 WeakPolarHBondContact O-CG1 3.39Å; E374-V1038 WeakPolarHBondContact O-CG2 3.37Å
375V85.1Confident84.4Confident14 Ų1454.9 Ų54.99%0.08529%0.289CS..  trans-94.7105.3175.9179.60000108.2I333 R336 V337 V377 L380I333-V375 HydrophobicContact CD1-CB 4.43Å; I333-V375 HydrophobicContact CD1-CG1 3.81Å; I333-V375 HydrophobicContact CD1-CG2 3.68Å; I333-V375 HydrophobicContact CG1-CG1 4.27Å; R336-V375 HydrophobicContact CG-CG2 3.87Å; V337-V375 HydrophobicContact CG2-CB 3.88Å; V337-V375 HydrophobicContact CG2-CG1 3.64Å; V337-V375 HydrophobicContact CG2-CG2 4.4Å; V375-V377 PolarHBondContact O-N 3.35Å; V375-L380 HydrophobicContact CG1-CD2 4.42Å
376D84.9Confident83.8Confident78 Ų7853.7 Ų53.742%0.41729%0.289SS..  trans-73.198171.2-169.4-30.7000109.8A378 V379 L380D376-A378 PolarHBondContact O-N 2.93Å; D376-A378 WeakPolarHBondContact OD1-CA 3.41Å; D376-A378 WeakPolarHBondContact OD1-CB 3.47Å; D376-A378 PolarHBondContact OD1-N 2.96Å; D376-V379 HydrophobicContact CB-CB 4.05Å; D376-V379 HydrophobicContact CB-CG2 4.09Å; D376-V379 PolarHBondContact O-N 2.85Å; D376-V379 PolarHBondContact OD1-N 2.72Å; D376-V379 WeakPolarHBondContact OD2-CG2 2.85Å; D376-L380 WeakPolarHBondContact O-CB 3.32Å; D376-L380 PolarHBondContact O-N 2.67Å
377V82.8Confident83Confident65 Ų6562.2 Ų62.239%0.39432%0.32SS..Hα-helixtrans-64.1-27.8179.4-178.20000111.7V337 V375 L381V337-V377 HydrophobicContact CG1-CG2 3.95Å; V337-V377 HydrophobicContact CG2-CG2 3.97Å; V375-V377 PolarHBondContact O-N 3.35Å; V377-L381 HydrophobicContact CG1-CD1 4.11Å; V377-L381 HydrophobicContact CG1-CG 4.48Å; V377-L381 WeakPolarHBondContact O-CB 3.35Å; V377-L381 WeakPolarHBondContact O-CD1 3.48Å; V377-L381 WeakPolarHBondContact O-CG 3.43Å; V377-L381 PolarHBondContact O-N 3.15Å; V377-L381 VanDerWaalsContact O-N 3.07Å
378A78.8Confident82.4Confident57 Ų5766.4 Ų66.447%0.47134%0.343SS..Hα-helixtrans-71-46.7176.900000110.7D376 L380 L381 E382D376-A378 PolarHBondContact O-N 2.93Å; D376-A378 WeakPolarHBondContact OD1-CA 3.41Å; D376-A378 WeakPolarHBondContact OD1-CB 3.47Å; D376-A378 PolarHBondContact OD1-N 2.96Å; A378-L380 VanDerWaalsContact C-N 3.32Å; A378-L380 PolarHBondContact O-N 3.13Å; A378-L381 PolarHBondContact O-N 3.3Å; A378-E382 PolarHBondContact O-N 2.73Å
379V77.2Confident82Confident37 Ų3767.7 Ų67.722%0.22435%0.351CS..Hα-helixtrans-62.1-39.5173.9174.50000111.4D376 L381 E382 D383D376-V379 HydrophobicContact CB-CB 4.05Å; D376-V379 HydrophobicContact CB-CG2 4.09Å; D376-V379 PolarHBondContact O-N 2.85Å; D376-V379 PolarHBondContact OD1-N 2.72Å; D376-V379 WeakPolarHBondContact OD2-CG2 2.85Å; V379-L381 VanDerWaalsContact C-N 3.3Å; V379-L381 PolarHBondContact O-N 2.91Å; V379-E382 PolarHBondContact O-N 3.42Å; V379-D383 WeakPolarHBondContact O-CB 3.25Å; V379-D383 PolarHBondContact O-N 3.16Å
380L77.1Confident81.6Confident42 Ų4272 Ų7222%0.2237%0.373CS..Hα-helixtrans-61-37.9175.9-17863000112.4I333 V375 D376 A378 S384 H1039I333-L380 HydrophobicContact CG1-CD2 4.07Å; V375-L380 HydrophobicContact CG1-CD2 4.42Å; D376-L380 WeakPolarHBondContact O-CB 3.32Å; D376-L380 PolarHBondContact O-N 2.67Å; A378-L380 VanDerWaalsContact C-N 3.32Å; A378-L380 PolarHBondContact O-N 3.13Å; L380-S384 WeakPolarHBondContact O-CB 3.39Å; L380-S384 PolarHBondContact O-N 3.44Å; L380-H1039 VanDerWaalsContact CD1-NE2 3.29Å; L380-H1039 WeakPolarHBondContact CD1-NE2 3.34Å
381L77Confident81.1Confident63 Ų6375.1 Ų75.133%0.3339%0.388SS..Hα-helixtrans-72.4-41.2176.1-72166.2000112.2L155 V377 A378 V379 S384 Q385L155-L381 HydrophobicContact CD2-CD1 3.81Å; L155-L381 HydrophobicContact CD2-CD2 3.43Å; L155-L381 VanDerWaalsContact CD2-CD2 3.43Å; L155-L381 HydrophobicContact CD2-CG 4.28Å; V377-L381 HydrophobicContact CG1-CD1 4.11Å; V377-L381 HydrophobicContact CG1-CG 4.48Å; V377-L381 WeakPolarHBondContact O-CB 3.35Å; V377-L381 WeakPolarHBondContact O-CD1 3.48Å; V377-L381 WeakPolarHBondContact O-CG 3.43Å; V377-L381 PolarHBondContact O-N 3.15Å; V377-L381 VanDerWaalsContact O-N 3.07Å; A378-L381 PolarHBondContact O-N 3.3Å; V379-L381 VanDerWaalsContact C-N 3.3Å; V379-L381 PolarHBondContact O-N 2.91Å; L381-S384 PolarHBondContact O-N 3.27Å; L381-Q385 WeakPolarHBondContact O-CG 3.46Å; L381-Q385 PolarHBondContact O-N 3.31Å
382E77.2Confident80.8Confident109 Ų10978.4 Ų78.451%0.50940%0.401SS..Hα-helixtrans-60.6-44.8172.7-72.9-178.8-166.700111.4A378 V379 S384 Q385 M386A378-E382 PolarHBondContact O-N 2.73Å; V379-E382 PolarHBondContact O-N 3.42Å; E382-S384 VanDerWaalsContact C-N 3.34Å; E382-S384 PolarHBondContact O-N 3.43Å; E382-Q385 PolarHBondContact O-N 2.87Å; E382-M386 VanDerWaalsContact O-CB 3.25Å; E382-M386 WeakPolarHBondContact O-CB 3.49Å; E382-M386 PolarHBondContact O-N 2.87Å
383D74.1Confident80.6Confident51 Ų5179.7 Ų79.727%0.27340%0.404SS..Hα-helixtrans-64.1-37.3176.2-85.5-0.3000111.8V379 R387 H1039V379-D383 WeakPolarHBondContact O-CB 3.25Å; V379-D383 PolarHBondContact O-N 3.16Å; D383-R387 VanDerWaalsContact O-CB 3.23Å; D383-R387 WeakPolarHBondContact O-CB 3.14Å; D383-R387 PolarHBondContact O-N 2.93Å; D383-H1039 IonicContact OD2-CE1 3.22Å; D383-H1039 IonicContact OD2-CG 3.79Å; D383-H1039 IonicContact OD2-ND1 3.56Å; D383-H1039 PolarHBondContact OD2-ND1 3.17Å
384S75.1Confident80.4Confident59 Ų5984.4 Ų84.441%0.41342%0.424SS..Hα-helixtrans-64.5-48.9174.5-166.30000111.5L380 L381 E382 M386 R387 D388L380-S384 WeakPolarHBondContact O-CB 3.39Å; L380-S384 PolarHBondContact O-N 3.44Å; L381-S384 PolarHBondContact O-N 3.27Å; E382-S384 VanDerWaalsContact C-N 3.34Å; E382-S384 PolarHBondContact O-N 3.43Å; S384-M386 VanDerWaalsContact C-N 3.32Å; S384-M386 PolarHBondContact O-N 2.82Å; S384-R387 WeakPolarHBondContact O-CB 3.48Å; S384-R387 PolarHBondContact O-N 3.44Å; S384-D388 PolarHBondContact O-N 3.27Å
385Q80.4Confident80.2Confident114 Ų11484.3 Ų84.353%0.53342%0.424SS..Hα-helixtrans-62.4-40.2177.3-70.2175.60.700111.7L381 E382 D388 I389L381-Q385 WeakPolarHBondContact O-CG 3.46Å; L381-Q385 PolarHBondContact O-N 3.31Å; E382-Q385 PolarHBondContact O-N 2.87Å; Q385-D388 PolarHBondContact O-N 2.7Å; Q385-I389 WeakPolarHBondContact O-CG1 3.27Å; Q385-I389 PolarHBondContact O-N 2.74Å; Q385-I389 VanDerWaalsContact O-N 3.08Å
386M78Confident80.3Confident81 Ų8188.8 Ų88.840%0.39944%0.444SS..Hα-helixtrans-67.4-36.4176.8-169.7154.4-68.600111.9E382 S384 I389 L390E382-M386 VanDerWaalsContact O-CB 3.25Å; E382-M386 WeakPolarHBondContact O-CB 3.49Å; E382-M386 PolarHBondContact O-N 2.87Å; S384-M386 VanDerWaalsContact C-N 3.32Å; S384-M386 PolarHBondContact O-N 2.82Å; M386-I389 PolarHBondContact O-N 2.91Å; M386-L390 HydrophobicContact CG-CD1 4.17Å; M386-L390 WeakPolarHBondContact O-CB 3.42Å; M386-L390 VanDerWaalsContact O-CG 3.26Å; M386-L390 WeakPolarHBondContact O-CG 3.15Å; M386-L390 PolarHBondContact O-N 3.42Å
387R76.3Confident80.2Confident187 Ų18787.8 Ų87.871%0.70645%0.446SS*.Hα-helixtrans-63.3-42.5172.5177.4-179.5175.4176-2.7111.9D383 S384 L390 Q391D383-R387 VanDerWaalsContact O-CB 3.23Å; D383-R387 WeakPolarHBondContact O-CB 3.14Å; D383-R387 PolarHBondContact O-N 2.93Å; S384-R387 WeakPolarHBondContact O-CB 3.48Å; S384-R387 PolarHBondContact O-N 3.44Å; R387-L390 PolarHBondContact O-N 3.33Å; R387-Q391 VanDerWaalsContact O-CB 3.27Å; R387-Q391 WeakPolarHBondContact O-CB 3.08Å; R387-Q391 PolarHBondContact O-N 2.72Å
388D79Confident80.3Confident89 Ų8989.1 Ų89.148%0.47645%0.448SS..Hα-helixtrans-65.2-40.3178.4-65.9-28.2000111.5S384 Q385 Q391 Q392S384-D388 PolarHBondContact O-N 3.27Å; Q385-D388 PolarHBondContact O-N 2.7Å; D388-Q391 PolarHBondContact O-N 2.91Å; D388-Q392 WeakPolarHBondContact O-CG 3.39Å; D388-Q392 PolarHBondContact O-N 2.8Å
389I84Confident80.7Confident94 Ų9489 Ų8948%0.48244%0.444SS..Hα-helixtrans-62.1-50.1173.1-66.6164.1000110.8Q385 M386 Q391 Q392 E393Q385-I389 WeakPolarHBondContact O-CG1 3.27Å; Q385-I389 PolarHBondContact O-N 2.74Å; Q385-I389 VanDerWaalsContact O-N 3.08Å; M386-I389 PolarHBondContact O-N 2.91Å; I389-Q391 VanDerWaalsContact C-N 3.26Å; I389-Q391 PolarHBondContact O-N 3.38Å; I389-Q392 WeakPolarHBondContact O-CB 3.34Å; I389-Q392 PolarHBondContact O-N 3.15Å; I389-Q392 VanDerWaalsContact O-N 3.16Å; I389-E393 PolarHBondContact O-N 3.1Å
390L81.5Confident81.2Confident98 Ų9890.9 Ų90.951%0.51345%0.453SS..Hα-helixtrans-64.2-30.8179.4-72169.8000112.7M386 R387 K394M386-L390 HydrophobicContact CG-CD1 4.17Å; M386-L390 WeakPolarHBondContact O-CB 3.42Å; M386-L390 VanDerWaalsContact O-CG 3.26Å; M386-L390 WeakPolarHBondContact O-CG 3.15Å; M386-L390 PolarHBondContact O-N 3.42Å; R387-L390 PolarHBondContact O-N 3.33Å; L390-K394 VanDerWaalsContact O-CB 3.3Å; L390-K394 WeakPolarHBondContact O-CB 3.3Å; L390-K394 PolarHBondContact O-N 3.36Å
391Q80.5Confident81.5Confident77 Ų7793.2 Ų93.236%0.3647%0.465SS..Hα-helixtrans-68.8-41.2173.8179.660.731.300111.2R387 D388 I389 K394 E395R387-Q391 VanDerWaalsContact O-CB 3.27Å; R387-Q391 WeakPolarHBondContact O-CB 3.08Å; R387-Q391 PolarHBondContact O-N 2.72Å; D388-Q391 PolarHBondContact O-N 2.91Å; I389-Q391 VanDerWaalsContact C-N 3.26Å; I389-Q391 PolarHBondContact O-N 3.38Å; Q391-K394 WeakPolarHBondContact O-CB 3.45Å; Q391-K394 PolarHBondContact O-N 3.48Å; Q391-E395 PolarHBondContact NE2-OE1 2.86Å; Q391-E395 WeakPolarHBondContact O-CG 3.36Å; Q391-E395 PolarHBondContact O-N 3.34Å
392Q85.3Confident82Confident130 Ų13095.1 Ų95.161%0.60747%0.474SS*.Hα-helixtrans-64.5-42.6172.6-69.2172.921.200112.1D388 I389 K394 E395 Q396D388-Q392 WeakPolarHBondContact O-CG 3.39Å; D388-Q392 PolarHBondContact O-N 2.8Å; I389-Q392 WeakPolarHBondContact O-CB 3.34Å; I389-Q392 PolarHBondContact O-N 3.15Å; I389-Q392 VanDerWaalsContact O-N 3.16Å; Q392-K394 VanDerWaalsContact C-N 3.31Å; Q392-K394 PolarHBondContact O-N 3.17Å; Q392-E395 PolarHBondContact O-N 2.94Å; Q392-Q396 PolarHBondContact O-N 3.33Å
393E83.7Confident82.5Confident121 Ų12194.8 Ų94.857%0.56548%0.475SS*.Hα-helixtrans-61.8-39.5174.9-71.6-172.716300111.9I389 A397I389-E393 PolarHBondContact O-N 3.1Å; E393-A397 WeakPolarHBondContact O-CB 2.96Å; E393-A397 PolarHBondContact O-N 2.99Å
394K83.4Confident83.1Confident102 Ų10297.2 Ų97.244%0.44349%0.487SS..Hα-helixtrans-63.3-48.4174.2-179.4-165.2160.6-165.90111.6L390 Q391 Q392 Q396 A397 E398L390-K394 VanDerWaalsContact O-CB 3.3Å; L390-K394 WeakPolarHBondContact O-CB 3.3Å; L390-K394 PolarHBondContact O-N 3.36Å; Q391-K394 WeakPolarHBondContact O-CB 3.45Å; Q391-K394 PolarHBondContact O-N 3.48Å; Q392-K394 VanDerWaalsContact C-N 3.31Å; Q392-K394 PolarHBondContact O-N 3.17Å; K394-Q396 VanDerWaalsContact C-N 3.3Å; K394-Q396 PolarHBondContact O-N 3.38Å; K394-A397 PolarHBondContact O-N 2.94Å; K394-A397 VanDerWaalsContact O-N 3.13Å; K394-E398 VanDerWaalsContact CE-CD 3.44Å; K394-E398 WeakPolarHBondContact CE-OE1 3.28Å; K394-E398 IonicContact NZ-OE1 2.84Å; K394-E398 WeakPolarHBondContact O-CG 3.22Å; K394-E398 PolarHBondContact O-N 3.05Å
395E83.4Confident83.7Confident103 Ų10399.8 Ų99.848%0.48149%0.493SS..Hα-helixtrans-61.4-38.9179-75.1169.9-163.900111.8Q391 Q392 E398 S399Q391-E395 PolarHBondContact NE2-OE1 2.86Å; Q391-E395 WeakPolarHBondContact O-CG 3.36Å; Q391-E395 PolarHBondContact O-N 3.34Å; Q392-E395 PolarHBondContact O-N 2.94Å; E395-E398 PolarHBondContact O-N 3.16Å; E395-S399 WeakPolarHBondContact O-CB 3.48Å; E395-S399 PolarHBondContact O-N 3.41Å
396Q85.6Confident84.1Confident108 Ų10898.3 Ų98.351%0.50549%0.492SS..Hα-helixtrans-63.9-43.5172-1766152.700111.8Q392 K394 S399 D400Q392-Q396 PolarHBondContact O-N 3.33Å; K394-Q396 VanDerWaalsContact C-N 3.3Å; K394-Q396 PolarHBondContact O-N 3.38Å; Q396-S399 WeakPolarHBondContact O-CB 3.29Å; Q396-S399 PolarHBondContact O-N 2.95Å; Q396-D400 PolarHBondContact NE2-OD1 3.47Å; Q396-D400 PolarHBondContact O-N 3.4Å
397A83.2Confident84.6Confident57 Ų57102.5 Ų102.547%0.47150%0.503SS..Hα-helixtrans-66.7-35.1177.900000113E393 K394 L401E393-A397 WeakPolarHBondContact O-CB 2.96Å; E393-A397 PolarHBondContact O-N 2.99Å; K394-A397 PolarHBondContact O-N 2.94Å; K394-A397 VanDerWaalsContact O-N 3.13Å; A397-L401 WeakPolarHBondContact O-CB 3.25Å; A397-L401 PolarHBondContact O-N 3.02Å
398E84.6Confident85.2Confident93 Ų9397.1 Ų97.144%0.43549%0.491SS..Hα-helixtrans-67.5-40.2172.9-74178.7163.400111.2K394 E395 L401 I402K394-E398 VanDerWaalsContact CE-CD 3.44Å; K394-E398 WeakPolarHBondContact CE-OE1 3.28Å; K394-E398 IonicContact NZ-OE1 2.84Å; K394-E398 WeakPolarHBondContact O-CG 3.22Å; K394-E398 PolarHBondContact O-N 3.05Å; E395-E398 PolarHBondContact O-N 3.16Å; E398-L401 PolarHBondContact O-N 2.93Å; E398-I402 VanDerWaalsContact O-CG1 3.32Å; E398-I402 WeakPolarHBondContact O-CG1 3.35Å; E398-I402 PolarHBondContact O-N 3Å
399S87.7Confident85.6Confident54 Ų5495.3 Ų95.338%0.37849%0.489SS..Hα-helixtrans-61.5-48.4172.2-175.10000112.3E395 Q396 L401 I402 I403E395-S399 WeakPolarHBondContact O-CB 3.48Å; E395-S399 PolarHBondContact O-N 3.41Å; Q396-S399 WeakPolarHBondContact O-CB 3.29Å; Q396-S399 PolarHBondContact O-N 2.95Å; S399-L401 VanDerWaalsContact C-N 3.29Å; S399-L401 PolarHBondContact O-N 3.27Å; S399-I402 PolarHBondContact O-N 2.96Å; S399-I402 VanDerWaalsContact O-N 3.17Å; S399-I403 WeakPolarHBondContact O-CG1 3.5Å; S399-I403 PolarHBondContact O-N 2.91Å
400D87.3Confident85.8Confident76 Ų7694.5 Ų94.541%0.40649%0.488SS..Hα-helixtrans-60.5-38.5176.8-73.8-2000111.6Q396 I403 L404Q396-D400 PolarHBondContact NE2-OD1 3.47Å; Q396-D400 PolarHBondContact O-N 3.4Å; D400-I403 PolarHBondContact O-N 3.03Å; D400-L404 WeakPolarHBondContact O-CB 3.29Å; D400-L404 WeakPolarHBondContact O-CG 3.41Å; D400-L404 PolarHBondContact O-N 2.97Å
401L84.9Confident86.2Confident92 Ų9293.2 Ų93.248%0.48248%0.481SS..Hα-helixtrans-63.6-43.917518062.8000111.9A397 E398 S399 I403 L404 Q405A397-L401 WeakPolarHBondContact O-CB 3.25Å; A397-L401 PolarHBondContact O-N 3.02Å; E398-L401 PolarHBondContact O-N 2.93Å; S399-L401 VanDerWaalsContact C-N 3.29Å; S399-L401 PolarHBondContact O-N 3.27Å; L401-I403 VanDerWaalsContact C-N 3.33Å; L401-I403 PolarHBondContact O-N 3.23Å; L401-L404 PolarHBondContact O-N 3.41Å; L401-Q405 HydrophobicContact CD1-CG 4.31Å; L401-Q405 HydrophobicContact CG-CG 4.47Å; L401-Q405 WeakPolarHBondContact O-CB 3.46Å; L401-Q405 VanDerWaalsContact O-CG 3.31Å; L401-Q405 WeakPolarHBondContact O-CG 3.25Å; L401-Q405 PolarHBondContact O-N 3.47Å
402I87Confident86.5Confident102 Ų10293.8 Ų93.852%0.52348%0.484SS..Hα-helixtrans-62.8-40.8176.7-69163.4000110.9E398 S399 Q405 T406E398-I402 VanDerWaalsContact O-CG1 3.32Å; E398-I402 WeakPolarHBondContact O-CG1 3.35Å; E398-I402 PolarHBondContact O-N 3Å; S399-I402 PolarHBondContact O-N 2.96Å; S399-I402 VanDerWaalsContact O-N 3.17Å; I402-Q405 PolarHBondContact O-N 3.49Å; I402-T406 WeakPolarHBondContact O-CB 3.15Å; I402-T406 PolarHBondContact O-N 2.96Å; I402-T406 PolarHBondContact O-OG1 3.23Å
403I88.5Confident86.7Confident102 Ų10289.6 Ų89.652%0.52347%0.471SS..Hα-helixtrans-62.3-45.4175.4-67.4165.8000110.6S399 D400 L401 T406 R407S399-I403 WeakPolarHBondContact O-CG1 3.5Å; S399-I403 PolarHBondContact O-N 2.91Å; D400-I403 PolarHBondContact O-N 3.03Å; L401-I403 VanDerWaalsContact C-N 3.33Å; L401-I403 PolarHBondContact O-N 3.23Å; I403-T406 PolarHBondContact O-N 3.44Å; I403-R407 WeakPolarHBondContact O-CB 3.34Å; I403-R407 PolarHBondContact O-N 3.13Å
404L85.9Confident87Confident102 Ų10289 Ų8953%0.53447%0.469SS..Hα-helixtrans-66.2-40.5177.9-74.2170.1000112.8D400 L401 R407 T408D400-L404 WeakPolarHBondContact O-CB 3.29Å; D400-L404 WeakPolarHBondContact O-CG 3.41Å; D400-L404 PolarHBondContact O-N 2.97Å; L401-L404 PolarHBondContact O-N 3.41Å; L404-R407 PolarHBondContact O-N 2.89Å; L404-T408 WeakPolarHBondContact O-CB 3.32Å; L404-T408 PolarHBondContact O-N 3.4Å; L404-T408 PolarHBondContact O-OG1 2.97Å
405Q87.6Confident87.2Confident113 Ų11391.8 Ų91.853%0.52848%0.477SS..Hα-helixtrans-62.7-46.9174.5-76.1176-8.200111.1L401 I402 R407 T408 A409L401-Q405 HydrophobicContact CD1-CG 4.31Å; L401-Q405 HydrophobicContact CG-CG 4.47Å; L401-Q405 WeakPolarHBondContact O-CB 3.46Å; L401-Q405 VanDerWaalsContact O-CG 3.31Å; L401-Q405 WeakPolarHBondContact O-CG 3.25Å; L401-Q405 PolarHBondContact O-N 3.47Å; I402-Q405 PolarHBondContact O-N 3.49Å; Q405-R407 PolarHBondContact O-N 3.49Å; Q405-T408 PolarHBondContact O-N 3.04Å; Q405-T408 VanDerWaalsContact O-N 3.16Å; Q405-A409 PolarHBondContact O-N 3.11Å
406T88.6Confident87.5Confident83 Ų8392.7 Ų92.751%0.50948%0.481SS..Hα-helixtrans-59.1-46.9177.4-56.20000111I402 I403 T408 A409 T410I402-T406 WeakPolarHBondContact O-CB 3.15Å; I402-T406 PolarHBondContact O-N 2.96Å; I402-T406 PolarHBondContact O-OG1 3.23Å; I403-T406 PolarHBondContact O-N 3.44Å; T406-T408 VanDerWaalsContact C-N 3.31Å; T406-T408 PolarHBondContact O-N 3.43Å; T406-A409 PolarHBondContact O-N 2.88Å; T406-T410 PolarHBondContact O-N 3.18Å; T406-T410 PolarHBondContact O-OG1 3.37Å
407R89.5Confident87.7Confident169 Ų16992.7 Ų92.764%0.63849%0.485SS*.Hα-helixtrans-62.7-37.1176.9-175177.1180-179.50.6112.6I403 L404 Q405 T410 I411I403-R407 WeakPolarHBondContact O-CB 3.34Å; I403-R407 PolarHBondContact O-N 3.13Å; L404-R407 PolarHBondContact O-N 2.89Å; Q405-R407 PolarHBondContact O-N 3.49Å; R407-T410 WeakPolarHBondContact CA-OG1 3.33Å; R407-T410 PolarHBondContact O-OG1 3.35Å; R407-I411 HydrophobicContact CG-CD1 4.08Å; R407-I411 WeakPolarHBondContact O-CD1 3.12Å; R407-I411 VanDerWaalsContact O-CG1 3.27Å; R407-I411 WeakPolarHBondContact O-CG1 3.44Å; R407-I411 PolarHBondContact O-N 3.39Å; R407-I411 VanDerWaalsContact O-N 3.14Å
408T87.5Confident88.1Confident74 Ų7494.6 Ų94.645%0.45448%0.483SS..Hα-helixtrans-66.9-45177.1-56.90000110.7L404 Q405 T406 T410 I411 Q412L404-T408 WeakPolarHBondContact O-CB 3.32Å; L404-T408 PolarHBondContact O-N 3.4Å; L404-T408 PolarHBondContact O-OG1 2.97Å; Q405-T408 PolarHBondContact O-N 3.04Å; Q405-T408 VanDerWaalsContact O-N 3.16Å; T406-T408 VanDerWaalsContact C-N 3.31Å; T406-T408 PolarHBondContact O-N 3.43Å; T408-T410 PolarHBondContact O-N 2.71Å; T408-I411 PolarHBondContact O-N 2.79Å; T408-Q412 WeakPolarHBondContact O-CG 3.33Å; T408-Q412 PolarHBondContact O-N 3.13Å
409A88Confident88.3Confident52 Ų5295 Ų9543%0.4349%0.487SS..Hα-helixtrans-62.2-41.6176.300000112.6Q405 T406 I411 Q412 A413Q405-A409 PolarHBondContact O-N 3.11Å; T406-A409 PolarHBondContact O-N 2.88Å; A409-I411 VanDerWaalsContact C-N 3.32Å; A409-I411 PolarHBondContact O-N 3.02Å; A409-Q412 PolarHBondContact O-N 2.85Å; A409-A413 PolarHBondContact O-N 3.19Å
410T88.8Confident88.5Confident76 Ų7696.8 Ų96.847%0.46649%0.492SS..Hα-helixtrans-62.7-39.217550.90000112.3T406 R407 T408 A413 E414T406-T410 PolarHBondContact O-N 3.18Å; T406-T410 PolarHBondContact O-OG1 3.37Å; R407-T410 WeakPolarHBondContact CA-OG1 3.33Å; R407-T410 PolarHBondContact O-OG1 3.35Å; T408-T410 PolarHBondContact O-N 2.71Å; T410-A413 PolarHBondContact O-N 3.17Å; T410-E414 PolarHBondContact O-N 2.91Å; T410-E414 VanDerWaalsContact O-N 3.09Å
411I89.4Confident88.6Confident72 Ų7299 Ų9937%0.36950%0.5SS..Hα-helixtrans-68.3-40.8177.6-70.6168.4000110.7R407 T408 A409 E414 Y415R407-I411 HydrophobicContact CG-CD1 4.08Å; R407-I411 WeakPolarHBondContact O-CD1 3.12Å; R407-I411 VanDerWaalsContact O-CG1 3.27Å; R407-I411 WeakPolarHBondContact O-CG1 3.44Å; R407-I411 PolarHBondContact O-N 3.39Å; R407-I411 VanDerWaalsContact O-N 3.14Å; T408-I411 PolarHBondContact O-N 2.79Å; A409-I411 VanDerWaalsContact C-N 3.32Å; A409-I411 PolarHBondContact O-N 3.02Å; I411-E414 PolarHBondContact O-N 3.36Å; I411-Y415 HydrophobicContact CG2-CD2 3.75Å; I411-Y415 HydrophobicContact CG2-CE2 3.54Å; I411-Y415 WeakPolarHBondContact O-CD2 3.39Å; I411-Y415 PolarHBondContact O-N 2.85Å; I411-Y415 VanDerWaalsContact O-N 3.13Å
412Q87.8Confident88.9Confident89 Ų8999.6 Ų99.642%0.41650%0.503SS..Hα-helixtrans-59.1-49.3174.7-74.4172.7-48.900111.4T408 A409 E414 Y415 E416T408-Q412 WeakPolarHBondContact O-CG 3.33Å; T408-Q412 PolarHBondContact O-N 3.13Å; A409-Q412 PolarHBondContact O-N 2.85Å; Q412-E414 VanDerWaalsContact C-N 3.31Å; Q412-E414 PolarHBondContact O-N 3.38Å; Q412-Y415 PolarHBondContact O-N 3.08Å; Q412-E416 WeakPolarHBondContact O-CG 3.38Å; Q412-E416 PolarHBondContact O-N 3.34Å
413A89Confident89Confident41 Ų4199.2 Ų99.234%0.33950%0.499SS..Hα-helixtrans-60.2-36.8177.500000113A409 T410 N417A409-A413 PolarHBondContact O-N 3.19Å; T410-A413 PolarHBondContact O-N 3.17Å; A413-N417 PolarHBondContact O-N 3.48Å; A413-N417 PolarHBondContact O-ND2 2.86Å
414E89Confident89.2Confident109 Ų109100.4 Ų100.451%0.50950%0.502SS..Hα-helixtrans-63.7-39.2173.1-80.2-170.9-150.600113.2T410 I411 Q412 K418T410-E414 PolarHBondContact O-N 2.91Å; T410-E414 VanDerWaalsContact O-N 3.09Å; I411-E414 PolarHBondContact O-N 3.36Å; Q412-E414 VanDerWaalsContact C-N 3.31Å; Q412-E414 PolarHBondContact O-N 3.38Å; E414-K418 WeakPolarHBondContact O-CD 3.35Å; E414-K418 VanDerWaalsContact O-CG 3.31Å; E414-K418 WeakPolarHBondContact O-CG 3.44Å; E414-K418 PolarHBondContact O-N 2.85Å; E414-K418 IonicContact OE2-NZ 3.3Å; E414-K418 PolarHBondContact OE2-NZ 2.64Å
415Y88Confident89.4Confident161 Ų16199.7 Ų99.763%0.63150%0.499SS*.Hα-helixtrans-71.9-38.5177.8-80.3-66.6000112.1I411 Q412 K418 L419I411-Y415 HydrophobicContact CG2-CD2 3.75Å; I411-Y415 HydrophobicContact CG2-CE2 3.54Å; I411-Y415 WeakPolarHBondContact O-CD2 3.39Å; I411-Y415 PolarHBondContact O-N 2.85Å; I411-Y415 VanDerWaalsContact O-N 3.13Å; Q412-Y415 PolarHBondContact O-N 3.08Å; Y415-K418 PolarHBondContact O-N 3.14Å; Y415-L419 WeakPolarHBondContact O-CB 3.46Å; Y415-L419 PolarHBondContact O-N 3.22Å
416E89.8Confident89.5Confident121 Ų12198.6 Ų98.657%0.56550%0.496SS*.Hα-helixtrans-63.2-43.7175.2-71.9172.7175.100112Q412 K418 L419 L420Q412-E416 WeakPolarHBondContact O-CG 3.38Å; Q412-E416 PolarHBondContact O-N 3.34Å; E416-K418 PolarHBondContact O-N 3.21Å; E416-L419 WeakPolarHBondContact O-CB 3.23Å; E416-L419 PolarHBondContact O-N 3.14Å; E416-L420 PolarHBondContact O-N 3.43Å
417N90.3Very high89.6Confident108 Ų108100.3 Ų100.358%0.57850%0.498SS*.Hα-helixtrans-62.1-41174.9-82.8-79.4000112.4A413 L419 L420 Q421A413-N417 PolarHBondContact O-N 3.48Å; A413-N417 PolarHBondContact O-ND2 2.86Å; N417-L419 VanDerWaalsContact C-N 3.34Å; N417-L420 PolarHBondContact O-N 3.49Å; N417-Q421 WeakPolarHBondContact O-CB 3.26Å; N417-Q421 PolarHBondContact O-N 3Å
418K91.2Very high89.7Confident98 Ų9895.2 Ų95.243%0.42649%0.492SS..Hα-helixtrans-64.2-38.3174.4-73.2163.2-172.3150.60111.7E414 Y415 E416 Q421 L422E414-K418 WeakPolarHBondContact O-CD 3.35Å; E414-K418 VanDerWaalsContact O-CG 3.31Å; E414-K418 WeakPolarHBondContact O-CG 3.44Å; E414-K418 PolarHBondContact O-N 2.85Å; E414-K418 IonicContact OE2-NZ 3.3Å; E414-K418 PolarHBondContact OE2-NZ 2.64Å; Y415-K418 PolarHBondContact O-N 3.14Å; E416-K418 PolarHBondContact O-N 3.21Å; K418-Q421 PolarHBondContact O-N 3.35Å; K418-L422 VanDerWaalsContact O-CG 3.3Å; K418-L422 WeakPolarHBondContact O-CG 3.42Å; K418-L422 PolarHBondContact O-N 3.07Å
419L89.6Confident89.8Confident101 Ų10196.6 Ų96.653%0.52950%0.496SS..Hα-helixtrans-64.1-46.8176.7-174.266.3000111.6Y415 E416 N417 Q421 L422 Q423Y415-L419 WeakPolarHBondContact O-CB 3.46Å; Y415-L419 PolarHBondContact O-N 3.22Å; E416-L419 WeakPolarHBondContact O-CB 3.23Å; E416-L419 PolarHBondContact O-N 3.14Å; N417-L419 VanDerWaalsContact C-N 3.34Å; L419-Q421 PolarHBondContact O-N 3.46Å; L419-L422 PolarHBondContact O-N 2.88Å; L419-Q423 WeakPolarHBondContact O-CG 3.41Å; L419-Q423 PolarHBondContact O-N 3.05Å
420L90.5Very high90Very high92 Ų9299.7 Ų99.748%0.48250%0.502SS..Hα-helixtrans-61.2-43.2175.8-72.7170.3000112.1E416 N417 L422 Q423 Q424E416-L420 PolarHBondContact O-N 3.43Å; N417-L420 PolarHBondContact O-N 3.49Å; L420-L422 VanDerWaalsContact C-N 3.33Å; L420-L422 PolarHBondContact O-N 2.82Å; L420-Q423 PolarHBondContact O-N 2.94Å; L420-Q424 WeakPolarHBondContact O-CG 3.19Å; L420-Q424 PolarHBondContact O-N 3.24Å
421Q89.6Confident90.1Very high121 Ų121101.2 Ų101.257%0.56551%0.506SS*.Hα-helixtrans-62.4-40.3177-170-179.927.300111.9N417 K418 L419 N425N417-Q421 WeakPolarHBondContact O-CB 3.26Å; N417-Q421 PolarHBondContact O-N 3Å; K418-Q421 PolarHBondContact O-N 3.35Å; L419-Q421 PolarHBondContact O-N 3.46Å; Q421-N425 VanDerWaalsContact O-CG 3.23Å; Q421-N425 PolarHBondContact O-N 3.32Å; Q421-N425 VanDerWaalsContact O-N 3.08Å; Q421-N425 PolarHBondContact O-ND2 2.96Å
422L90.5Very high90.1Very high105 Ų105104 Ų10455%0.5552%0.516SS..Hα-helixtrans-67.2-40.3175.3-72.2169.2000112K418 L419 L420 N425 I426K418-L422 VanDerWaalsContact O-CG 3.3Å; K418-L422 WeakPolarHBondContact O-CG 3.42Å; K418-L422 PolarHBondContact O-N 3.07Å; L419-L422 PolarHBondContact O-N 2.88Å; L420-L422 VanDerWaalsContact C-N 3.33Å; L420-L422 PolarHBondContact O-N 2.82Å; L422-N425 PolarHBondContact O-N 3.47Å; L422-I426 WeakPolarHBondContact O-CG1 3.25Å; L422-I426 PolarHBondContact O-N 3.32Å
423Q90.4Very high90.1Very high95 Ų95104.2 Ų104.244%0.44452%0.519SS..Hα-helixtrans-63-43.4175.3-74.7174.9-16.600112.3L419 L420 N425 I426 Q427L419-Q423 WeakPolarHBondContact O-CG 3.41Å; L419-Q423 PolarHBondContact O-N 3.05Å; L420-Q423 PolarHBondContact O-N 2.94Å; Q423-N425 VanDerWaalsContact C-N 3.34Å; Q423-N425 PolarHBondContact O-N 2.93Å; Q423-I426 PolarHBondContact O-N 3.24Å; Q423-Q427 PolarHBondContact O-N 3.16Å
424Q91.4Very high90.1Very high126 Ų126106.9 Ų106.959%0.58953%0.525SS*.Hα-helixtrans-61.7-41174.8-72.6175.8-0.600112.1L420 Q427 A428L420-Q424 WeakPolarHBondContact O-CG 3.19Å; L420-Q424 PolarHBondContact O-N 3.24Å; Q424-Q427 PolarHBondContact O-N 3.25Å; Q424-A428 WeakPolarHBondContact O-CB 3.01Å; Q424-A428 PolarHBondContact O-N 3.01Å
425N90.6Very high90.1Very high87 Ų87105.9 Ų105.947%0.46552%0.523SS..Hα-helixtrans-64.2-38.7175.4-72.6-24000112.3Q421 L422 Q423 L429Q421-N425 VanDerWaalsContact O-CG 3.23Å; Q421-N425 PolarHBondContact O-N 3.32Å; Q421-N425 VanDerWaalsContact O-N 3.08Å; Q421-N425 PolarHBondContact O-ND2 2.96Å; L422-N425 PolarHBondContact O-N 3.47Å; Q423-N425 VanDerWaalsContact C-N 3.34Å; Q423-N425 PolarHBondContact O-N 2.93Å; N425-L429 VanDerWaalsContact O-CG 3.3Å; N425-L429 WeakPolarHBondContact O-CG 3.41Å; N425-L429 PolarHBondContact O-N 2.98Å; N425-L429 VanDerWaalsContact O-N 3.1Å
426I91.2Very high90.1Very high91 Ų91102 Ų10247%0.46751%0.513SS..Hα-helixtrans-64.4-50.6175.6-70.5164.7000110.3L422 Q423 A428 L429 E430L422-I426 WeakPolarHBondContact O-CG1 3.25Å; L422-I426 PolarHBondContact O-N 3.32Å; Q423-I426 PolarHBondContact O-N 3.24Å; I426-A428 VanDerWaalsContact C-N 3.31Å; I426-A428 PolarHBondContact O-N 3.15Å; I426-L429 WeakPolarHBondContact O-CB 3.41Å; I426-L429 PolarHBondContact O-N 3.42Å; I426-E430 HydrophobicContact CG2-CG 4.32Å; I426-E430 WeakPolarHBondContact O-CG 3.28Å; I426-E430 PolarHBondContact O-N 3.33Å
427Q90.6Very high89.9Confident119 Ų119101.7 Ų101.756%0.55651%0.511SS*.Hα-helixtrans-59-39.9177.7-72.9-178.8-12.700112.7Q423 Q424 L429 E430 I431Q423-Q427 PolarHBondContact O-N 3.16Å; Q424-Q427 PolarHBondContact O-N 3.25Å; Q427-L429 VanDerWaalsContact C-N 3.31Å; Q427-L429 PolarHBondContact O-N 2.95Å; Q427-E430 PolarHBondContact O-N 3.1Å; Q427-I431 WeakPolarHBondContact O-CG1 3.43Å; Q427-I431 PolarHBondContact O-N 3.11Å
428A90.7Very high89.7Confident61 Ų61100.1 Ų100.150%0.50450%0.503SS..Hα-helixtrans-64.9-34175.800000112.8Q424 I426 K432Q424-A428 WeakPolarHBondContact O-CB 3.01Å; Q424-A428 PolarHBondContact O-N 3.01Å; I426-A428 VanDerWaalsContact C-N 3.31Å; I426-A428 PolarHBondContact O-N 3.15Å; A428-K432 WeakPolarHBondContact O-CB 3.34Å; A428-K432 PolarHBondContact O-N 3.5Å
429L89.7Confident89.5Confident104 Ų104100.5 Ų100.555%0.54551%0.506SS..Hα-helixtrans-74.1-37173.9-72169.7000112.3N425 I426 Q427 K432 N433N425-L429 VanDerWaalsContact O-CG 3.3Å; N425-L429 WeakPolarHBondContact O-CG 3.41Å; N425-L429 PolarHBondContact O-N 2.98Å; N425-L429 VanDerWaalsContact O-N 3.1Å; I426-L429 WeakPolarHBondContact O-CB 3.41Å; I426-L429 PolarHBondContact O-N 3.42Å; Q427-L429 VanDerWaalsContact C-N 3.31Å; Q427-L429 PolarHBondContact O-N 2.95Å; L429-K432 PolarHBondContact O-N 3.44Å; L429-N433 WeakPolarHBondContact O-CB 3.43Å; L429-N433 PolarHBondContact O-N 3.24Å
430E91.4Very high89.3Confident116 Ų11699 Ų9954%0.54250%0.504SS..Hα-helixtrans-62.5-49.4175.3-72.4170.6163.100111.5I426 Q427 K432 N433 Q434I426-E430 HydrophobicContact CG2-CG 4.32Å; I426-E430 WeakPolarHBondContact O-CG 3.28Å; I426-E430 PolarHBondContact O-N 3.33Å; Q427-E430 PolarHBondContact O-N 3.1Å; E430-K432 VanDerWaalsContact C-N 3.3Å; E430-K432 PolarHBondContact O-N 2.9Å; E430-N433 PolarHBondContact O-N 2.96Å; E430-Q434 PolarHBondContact O-N 3.3Å
431I90.8Very high89Confident109 Ų10998.8 Ų98.856%0.55951%0.506SS*.Hα-helixtrans-57.7-44.9175-66.6166000110.5Q427 N433 Q434 D435Q427-I431 WeakPolarHBondContact O-CG1 3.43Å; Q427-I431 PolarHBondContact O-N 3.11Å; I431-N433 PolarHBondContact O-N 3.06Å; I431-Q434 PolarHBondContact O-N 2.92Å; I431-D435 PolarHBondContact O-N 2.8Å
432K90Very high88.8Confident130 Ų13098.1 Ų98.157%0.56551%0.507SS*.Hα-helixtrans-65.1-37179.1-172.3179.1-175.9-1770112.9A428 L429 E430 L436A428-K432 WeakPolarHBondContact O-CB 3.34Å; A428-K432 PolarHBondContact O-N 3.5Å; L429-K432 PolarHBondContact O-N 3.44Å; E430-K432 VanDerWaalsContact C-N 3.3Å; E430-K432 PolarHBondContact O-N 2.9Å; K432-L436 HydrophobicContact CG-CD1 4.42Å; K432-L436 VanDerWaalsContact O-CG 3.3Å; K432-L436 WeakPolarHBondContact O-CG 3.49Å; K432-L436 PolarHBondContact O-N 3.2Å; K432-L436 VanDerWaalsContact O-N 3.11Å
433N88.3Confident88.4Confident93 Ų9398.4 Ų98.450%0.49751%0.505SS..Hα-helixtrans-65.6-43.2173.3-79.7-18.5000110.8L429 E430 I431 D435 L436 E437L429-N433 WeakPolarHBondContact O-CB 3.43Å; L429-N433 PolarHBondContact O-N 3.24Å; E430-N433 PolarHBondContact O-N 2.96Å; I431-N433 PolarHBondContact O-N 3.06Å; N433-D435 VanDerWaalsContact C-N 3.34Å; N433-D435 PolarHBondContact O-N 3.48Å; N433-L436 PolarHBondContact O-N 2.95Å; N433-L436 VanDerWaalsContact O-N 3.11Å; N433-E437 WeakPolarHBondContact O-CG 3.45Å; N433-E437 PolarHBondContact O-N 2.94Å
434Q88.8Confident88.1Confident98 Ų9898.7 Ų98.746%0.45851%0.509SS..Hα-helixtrans-61.2-41.2177.3-164.765.779.700112.2E430 I431 L436 E437 N438E430-Q434 PolarHBondContact O-N 3.3Å; I431-Q434 PolarHBondContact O-N 2.92Å; Q434-L436 VanDerWaalsContact C-N 3.33Å; Q434-L436 PolarHBondContact O-N 3.31Å; Q434-E437 PolarHBondContact NE2-OE2 3.3Å; Q434-E437 PolarHBondContact O-N 3.23Å; Q434-N438 WeakPolarHBondContact O-CB 3.29Å; Q434-N438 PolarHBondContact O-N 2.77Å; Q434-N438 PolarHBondContact O-ND2 3.24Å; Q434-N438 VanDerWaalsContact O-ND2 3.16Å
435D88.3Confident87.7Confident87 Ų8794.4 Ų94.447%0.46550%0.5SS..Hα-helixtrans-63.9-35.5174.4-79.9-18000112.8I431 N433 Q439I431-D435 PolarHBondContact O-N 2.8Å; N433-D435 VanDerWaalsContact C-N 3.34Å; N433-D435 PolarHBondContact O-N 3.48Å; D435-Q439 VanDerWaalsContact O-CG 3.31Å; D435-Q439 WeakPolarHBondContact O-CG 3.28Å; D435-Q439 PolarHBondContact O-N 3.44Å; D435-Q439 PolarHBondContact O-NE2 3.38Å
436L88.2Confident87.3Confident81 Ų8196.3 Ų96.342%0.42451%0.505SS..Hα-helixtrans-72.4-40.5175.8-72.9169.2000111.8K432 N433 Q434 N438 Q439 C440K432-L436 HydrophobicContact CG-CD1 4.42Å; K432-L436 VanDerWaalsContact O-CG 3.3Å; K432-L436 WeakPolarHBondContact O-CG 3.49Å; K432-L436 PolarHBondContact O-N 3.2Å; K432-L436 VanDerWaalsContact O-N 3.11Å; N433-L436 PolarHBondContact O-N 2.95Å; N433-L436 VanDerWaalsContact O-N 3.11Å; Q434-L436 VanDerWaalsContact C-N 3.33Å; Q434-L436 PolarHBondContact O-N 3.31Å; L436-N438 VanDerWaalsContact C-N 3.34Å; L436-Q439 PolarHBondContact O-N 2.97Å; L436-Q439 VanDerWaalsContact O-N 3.14Å; L436-C440 PolarHBondContact O-N 3.31Å; L436-C440 PolarHBondContact O-SG 3.07Å; L436-C440 VanDerWaalsContact O-SG 3.36Å
437E86.5Confident86.8Confident113 Ų11395.7 Ų95.753%0.52850%0.503SS..Hα-helixtrans-61.3-42.6172.7-72.517817600111.8N433 Q434 Q439 C440 T441N433-E437 WeakPolarHBondContact O-CG 3.45Å; N433-E437 PolarHBondContact O-N 2.94Å; Q434-E437 PolarHBondContact NE2-OE2 3.3Å; Q434-E437 PolarHBondContact O-N 3.23Å; E437-Q439 VanDerWaalsContact C-N 3.28Å; E437-Q439 PolarHBondContact O-N 2.9Å; E437-C440 PolarHBondContact O-N 3.49Å; E437-T441 WeakPolarHBondContact O-CB 3.49Å; E437-T441 WeakPolarHBondContact O-CG2 3.44Å; E437-T441 PolarHBondContact O-N 3.39Å; E437-T441 PolarHBondContact O-OG1 2.84Å
438N86.4Confident86.3Confident76 Ų7693.6 Ų93.641%0.40650%0.501SS..Hα-helixtrans-62.7-33.6173.5-71.5-26000112Q434 L436 T441 N442Q434-N438 WeakPolarHBondContact O-CB 3.29Å; Q434-N438 PolarHBondContact O-N 2.77Å; Q434-N438 PolarHBondContact O-ND2 3.24Å; Q434-N438 VanDerWaalsContact O-ND2 3.16Å; L436-N438 VanDerWaalsContact C-N 3.34Å; N438-T441 WeakPolarHBondContact CA-OG1 3.17Å; N438-T441 PolarHBondContact O-OG1 3.41Å; N438-T441 VanDerWaalsContact O-OG1 3.1Å; N438-N442 WeakPolarHBondContact O-CB 3.45Å; N438-N442 PolarHBondContact O-N 3.39Å; N438-N442 PolarHBondContact O-ND2 2.74Å
439Q85.7Confident85.9Confident105 Ų10594.4 Ų94.449%0.49150%0.5SS..Hα-helixtrans-73.1-44.9173.8-76.1170.958.800112.3D435 L436 E437 N442 Q443D435-Q439 VanDerWaalsContact O-CG 3.31Å; D435-Q439 WeakPolarHBondContact O-CG 3.28Å; D435-Q439 PolarHBondContact O-N 3.44Å; D435-Q439 PolarHBondContact O-NE2 3.38Å; L436-Q439 PolarHBondContact O-N 2.97Å; L436-Q439 VanDerWaalsContact O-N 3.14Å; E437-Q439 VanDerWaalsContact C-N 3.28Å; E437-Q439 PolarHBondContact O-N 2.9Å; Q439-N442 PolarHBondContact O-N 3.43Å; Q439-Q443 WeakPolarHBondContact O-CB 3.47Å; Q439-Q443 WeakPolarHBondContact O-CG 3.42Å; Q439-Q443 PolarHBondContact O-N 2.86Å
440C85.8Confident85.5Confident70 Ų7094 Ų9447%0.47350%0.498SS..Hα-helixtrans-59.6-47.9177.2-71.70000111.7L436 E437 N442 Q443 D444L436-C440 PolarHBondContact O-N 3.31Å; L436-C440 PolarHBondContact O-SG 3.07Å; L436-C440 VanDerWaalsContact O-SG 3.36Å; E437-C440 PolarHBondContact O-N 3.49Å; C440-N442 PolarHBondContact O-N 2.83Å; C440-Q443 PolarHBondContact O-N 3.23Å; C440-Q443 VanDerWaalsContact O-N 3.15Å; C440-D444 PolarHBondContact O-N 3.17Å
441T85.1Confident85.1Confident87 Ų8796.3 Ų96.353%0.53450%0.502SS..Hα-helixtrans-62-39.8178.148.30000112.7E437 N438 G445E437-T441 WeakPolarHBondContact O-CB 3.49Å; E437-T441 WeakPolarHBondContact O-CG2 3.44Å; E437-T441 PolarHBondContact O-N 3.39Å; E437-T441 PolarHBondContact O-OG1 2.84Å; N438-T441 WeakPolarHBondContact CA-OG1 3.17Å; N438-T441 PolarHBondContact O-OG1 3.41Å; N438-T441 VanDerWaalsContact O-OG1 3.1Å; T441-G445 PolarHBondContact O-N 3.33Å
442N83.8Confident84.6Confident108 Ų10894 Ų9458%0.57850%0.498SS*.Hα-helixtrans-65-40.7172.6-82.8-54.1000112.4N438 Q439 C440 G445 Q446N438-N442 WeakPolarHBondContact O-CB 3.45Å; N438-N442 PolarHBondContact O-N 3.39Å; N438-N442 PolarHBondContact O-ND2 2.74Å; Q439-N442 PolarHBondContact O-N 3.43Å; C440-N442 PolarHBondContact O-N 2.83Å; N442-G445 PolarHBondContact O-N 2.96Å; N442-Q446 WeakPolarHBondContact O-CG 3.45Å; N442-Q446 PolarHBondContact O-N 3.38Å
443Q83.4Confident84.2Confident111 Ų11193.5 Ų93.552%0.51950%0.498SS..Hα-helixtrans-66.7-41.3176.2-73.4178.411.100111.9Q439 C440 G445 Q446 L447Q439-Q443 WeakPolarHBondContact O-CB 3.47Å; Q439-Q443 WeakPolarHBondContact O-CG 3.42Å; Q439-Q443 PolarHBondContact O-N 2.86Å; C440-Q443 PolarHBondContact O-N 3.23Å; C440-Q443 VanDerWaalsContact O-N 3.15Å; Q443-G445 VanDerWaalsContact C-N 3.34Å; Q443-G445 PolarHBondContact O-N 2.98Å; Q443-Q446 PolarHBondContact O-N 3.35Å; Q443-L447 WeakPolarHBondContact O-CB 3.37Å; Q443-L447 WeakPolarHBondContact O-CG 3.48Å; Q443-L447 PolarHBondContact O-N 2.92Å
444D83.2Confident83.8Confident100 Ų10094 Ų9454%0.53550%0.5SS..Hα-helixtrans-63.4-38.2174.3-83.1-28.1000112C440 L447 S448C440-D444 PolarHBondContact O-N 3.17Å; D444-L447 PolarHBondContact O-N 2.9Å; D444-S448 VanDerWaalsContact O-CB 3.24Å; D444-S448 WeakPolarHBondContact O-CB 3.33Å; D444-S448 PolarHBondContact O-N 3.44Å
445G82.5Confident83.3Confident37 Ų3794.3 Ų94.338%0.38151%0.505SS..Hα-helixtrans-61.2-41.9171.700000113.1T441 N442 Q443 T449T441-G445 PolarHBondContact O-N 3.33Å; N442-G445 PolarHBondContact O-N 2.96Å; Q443-G445 VanDerWaalsContact C-N 3.34Å; Q443-G445 PolarHBondContact O-N 2.98Å; G445-T449 WeakPolarHBondContact O-CB 3.4Å; G445-T449 PolarHBondContact O-N 3.17Å; G445-T449 VanDerWaalsContact O-N 3.08Å; G445-T449 PolarHBondContact O-OG1 3.32Å
446Q82.2Confident82.9Confident126 Ų12695.5 Ų95.559%0.58951%0.511SS*.Hα-helixtrans-67.2-45.1174.4-69.917616.100111.9N442 Q443 S448 T449 L450N442-Q446 WeakPolarHBondContact O-CG 3.45Å; N442-Q446 PolarHBondContact O-N 3.38Å; Q443-Q446 PolarHBondContact O-N 3.35Å; Q446-S448 VanDerWaalsContact C-N 3.35Å; Q446-S448 PolarHBondContact O-N 2.77Å; Q446-T449 PolarHBondContact O-N 2.85Å; Q446-L450 WeakPolarHBondContact O-CB 3.47Å; Q446-L450 WeakPolarHBondContact O-CG 3.37Å; Q446-L450 PolarHBondContact O-N 3.03Å
447L81.3Confident82.4Confident79 Ų7998.2 Ų98.241%0.41452%0.519SS..Hα-helixtrans-62.8-39.6176.9-74.6172.2000112Q443 D444 L450 R451Q443-L447 WeakPolarHBondContact O-CB 3.37Å; Q443-L447 WeakPolarHBondContact O-CG 3.48Å; Q443-L447 PolarHBondContact O-N 2.92Å; D444-L447 PolarHBondContact O-N 2.9Å; L447-L450 PolarHBondContact O-N 3.47Å; L447-R451 VanDerWaalsContact O-CB 3.32Å; L447-R451 WeakPolarHBondContact O-CB 3.15Å; L447-R451 WeakPolarHBondContact O-CG 3.4Å; L447-R451 PolarHBondContact O-N 2.86Å
448S80.7Confident82Confident75 Ų7597.3 Ų97.352%0.52452%0.518SS..Hα-helixtrans-62.5-44.6174.4-171.10000111.3D444 Q446 R451 A452D444-S448 VanDerWaalsContact O-CB 3.24Å; D444-S448 WeakPolarHBondContact O-CB 3.33Å; D444-S448 PolarHBondContact O-N 3.44Å; Q446-S448 VanDerWaalsContact C-N 3.35Å; Q446-S448 PolarHBondContact O-N 2.77Å; S448-R451 PolarHBondContact O-N 3.36Å; S448-A452 PolarHBondContact O-N 3.47Å
449T82.1Confident81.6Confident78 Ų7899.9 Ų99.948%0.47953%0.526SS..Hα-helixtrans-63.7-44.6176.9-56.90000112G445 Q446 A452 Q453G445-T449 WeakPolarHBondContact O-CB 3.4Å; G445-T449 PolarHBondContact O-N 3.17Å; G445-T449 VanDerWaalsContact O-N 3.08Å; G445-T449 PolarHBondContact O-OG1 3.32Å; Q446-T449 PolarHBondContact O-N 2.85Å; T449-A452 PolarHBondContact O-N 2.9Å; T449-Q453 WeakPolarHBondContact O-CG 3.19Å; T449-Q453 PolarHBondContact O-N 2.88Å
450L81.6Confident81.1Confident94 Ų9497 Ų9749%0.49252%0.518SS..Hα-helixtrans-64.9-40.6175.8-74.1165.8000112Q446 L447 A452 Q453 L454Q446-L450 WeakPolarHBondContact O-CB 3.47Å; Q446-L450 WeakPolarHBondContact O-CG 3.37Å; Q446-L450 PolarHBondContact O-N 3.03Å; L447-L450 PolarHBondContact O-N 3.47Å; L450-A452 VanDerWaalsContact C-N 3.34Å; L450-A452 PolarHBondContact O-N 3.47Å; L450-Q453 PolarHBondContact O-N 3.19Å; L450-L454 WeakPolarHBondContact O-CB 3.31Å; L450-L454 WeakPolarHBondContact O-CG 3.48Å; L450-L454 PolarHBondContact O-N 2.84Å
451R83.3Confident80.7Confident166 Ų16696.9 Ų96.963%0.62652%0.515SS*.Hα-helixtrans-60.8-41.7173.2-77.4171.5-178.7171.73.9111.7L447 S448 L454 L455L447-R451 VanDerWaalsContact O-CB 3.32Å; L447-R451 WeakPolarHBondContact O-CB 3.15Å; L447-R451 WeakPolarHBondContact O-CG 3.4Å; L447-R451 PolarHBondContact O-N 2.86Å; S448-R451 PolarHBondContact O-N 3.36Å; R451-L454 PolarHBondContact O-N 2.85Å; R451-L455 WeakPolarHBondContact O-CB 3.45Å; R451-L455 PolarHBondContact O-N 3.26Å
452A80.5Confident80.3Confident59 Ų5995.8 Ų95.849%0.48851%0.508SS..Hα-helixtrans-64-43.4176.100000112.2S448 T449 L450 L455 D456S448-A452 PolarHBondContact O-N 3.47Å; T449-A452 PolarHBondContact O-N 2.9Å; L450-A452 VanDerWaalsContact C-N 3.34Å; L450-A452 PolarHBondContact O-N 3.47Å; A452-L455 PolarHBondContact O-N 3.44Å; A452-D456 PolarHBondContact O-N 3.2Å
453Q80.4Confident80Confident120 Ų12096.6 Ų96.656%0.56151%0.508SS*.Hα-helixtrans-65.2-38.1175.6-71.4178.65.500112.9T449 L450 D456 K457T449-Q453 WeakPolarHBondContact O-CG 3.19Å; T449-Q453 PolarHBondContact O-N 2.88Å; L450-Q453 PolarHBondContact O-N 3.19Å; Q453-D456 PolarHBondContact O-N 3.01Å; Q453-K457 VanDerWaalsContact O-CB 3.29Å; Q453-K457 WeakPolarHBondContact O-CB 3.25Å; Q453-K457 PolarHBondContact O-N 3.4Å
454L79.7Confident79.7Confident103 Ų10399.1 Ų99.154%0.53951%0.513SS..Hα-helixtrans-64.6-44.1173.1-73.5170.6000111.2L450 R451 D456 K457 D458L450-L454 WeakPolarHBondContact O-CB 3.31Å; L450-L454 WeakPolarHBondContact O-CG 3.48Å; L450-L454 PolarHBondContact O-N 2.84Å; R451-L454 PolarHBondContact O-N 2.85Å; L454-D456 VanDerWaalsContact C-N 3.34Å; L454-D456 PolarHBondContact O-N 3.48Å; L454-K457 PolarHBondContact O-N 2.81Å; L454-D458 WeakPolarHBondContact O-CB 3.34Å; L454-D458 PolarHBondContact O-N 3.16Å
455L79.4Confident79.4Confident106 Ų10699.2 Ų99.256%0.55551%0.51SS*.Hα-helixtrans-61.4-38.1176.3-111.9156.8000113.2R451 A452 K459R451-L455 WeakPolarHBondContact O-CB 3.45Å; R451-L455 PolarHBondContact O-N 3.26Å; A452-L455 PolarHBondContact O-N 3.44Å; L455-K459 VanDerWaalsContact O-CG 3.27Å; L455-K459 WeakPolarHBondContact O-CG 3.33Å; L455-K459 PolarHBondContact O-N 3.03Å; L455-K459 VanDerWaalsContact O-N 3.09Å
456D78.9Confident79.3Confident111 Ų111105.8 Ų105.859%0.59452%0.523SS*.Hα-helixtrans-71.1-41175.7-166.359.4000111.8A452 Q453 L454 K459 S460A452-D456 PolarHBondContact O-N 3.2Å; Q453-D456 PolarHBondContact O-N 3.01Å; L454-D456 VanDerWaalsContact C-N 3.34Å; L454-D456 PolarHBondContact O-N 3.48Å; D456-K459 WeakPolarHBondContact O-CB 3.37Å; D456-K459 PolarHBondContact O-N 3.49Å; D456-S460 PolarHBondContact O-N 2.7Å
457K77.7Confident79.2Confident138 Ų138104.2 Ų104.260%0.652%0.519SS*.Hα-helixtrans-64.7-41.1174.9-167174.7-177.31790112.1Q453 L454 S460 T461Q453-K457 VanDerWaalsContact O-CB 3.29Å; Q453-K457 WeakPolarHBondContact O-CB 3.25Å; Q453-K457 PolarHBondContact O-N 3.4Å; L454-K457 PolarHBondContact O-N 2.81Å; K457-S460 PolarHBondContact O-N 3.5Å; K457-T461 WeakPolarHBondContact O-CG2 3.39Å; K457-T461 PolarHBondContact O-N 2.99Å; K457-T461 PolarHBondContact O-OG1 3.23Å
458D79Confident79Confident95 Ų95105.5 Ų105.551%0.50853%0.526SS..Hα-helixtrans-67.9-33.7176.7-77.4-16.4000112.2L454 T461 T462L454-D458 WeakPolarHBondContact O-CB 3.34Å; L454-D458 PolarHBondContact O-N 3.16Å; D458-T461 VanDerWaalsContact CA-OG1 3.31Å; D458-T461 WeakPolarHBondContact CA-OG1 3.47Å; D458-T461 PolarHBondContact O-OG1 2.75Å; D458-T461 VanDerWaalsContact O-OG1 3.09Å; D458-T462 WeakPolarHBondContact O-CB 3.29Å; D458-T462 WeakPolarHBondContact O-CG2 3.49Å; D458-T462 PolarHBondContact O-N 2.83Å; D458-T462 PolarHBondContact O-OG1 3.2Å
459K77.9Confident78.9Confident129 Ų129105.5 Ų105.556%0.56152%0.518SS*.Hα-helixtrans-63-47.5167.2-74.9168.8-177.5177.30111.1L455 D456 T461 T462 E463L455-K459 VanDerWaalsContact O-CG 3.27Å; L455-K459 WeakPolarHBondContact O-CG 3.33Å; L455-K459 PolarHBondContact O-N 3.03Å; L455-K459 VanDerWaalsContact O-N 3.09Å; D456-K459 WeakPolarHBondContact O-CB 3.37Å; D456-K459 PolarHBondContact O-N 3.49Å; K459-T461 PolarHBondContact O-N 3.2Å; K459-T462 PolarHBondContact O-N 3.32Å; K459-T462 PolarHBondContact O-OG1 3.38Å; K459-E463 VanDerWaalsContact O-CB 3.24Å; K459-E463 WeakPolarHBondContact O-CB 3.39Å; K459-E463 PolarHBondContact O-N 3.22Å
460S75.9Confident78.8Confident46 Ų46106.9 Ų106.932%0.32252%0.518SS..Hα-helixtrans-65.7-35.1179.9-167.10000113.4D456 K457 R464D456-S460 PolarHBondContact O-N 2.7Å; K457-S460 PolarHBondContact O-N 3.5Å; S460-R464 WeakPolarHBondContact O-CB 3.46Å; S460-R464 PolarHBondContact O-N 3Å; S460-R464 PolarHBondContact OG-NH1 3.49Å
461T75.4Confident78.6Confident67 Ų67110.7 Ų110.741%0.41153%0.526SS..Hα-helixtrans-73.3-45.5174.654.10000111.4K457 D458 K459 E463 R464 E465K457-T461 WeakPolarHBondContact O-CG2 3.39Å; K457-T461 PolarHBondContact O-N 2.99Å; K457-T461 PolarHBondContact O-OG1 3.23Å; D458-T461 VanDerWaalsContact CA-OG1 3.31Å; D458-T461 WeakPolarHBondContact CA-OG1 3.47Å; D458-T461 PolarHBondContact O-OG1 2.75Å; D458-T461 VanDerWaalsContact O-OG1 3.09Å; K459-T461 PolarHBondContact O-N 3.2Å; T461-E463 VanDerWaalsContact C-N 3.3Å; T461-E463 PolarHBondContact O-N 3.26Å; T461-R464 WeakPolarHBondContact O-CB 3.48Å; T461-R464 PolarHBondContact O-N 2.95Å; T461-E465 WeakPolarHBondContact O-CB 3.47Å; T461-E465 PolarHBondContact O-N 2.68Å
462T78.6Confident78.2Confident63 Ų63107.4 Ų107.439%0.38752%0.521SS..Hα-helixtrans-67.6-27176.452.70000113.3D458 K459 R466D458-T462 WeakPolarHBondContact O-CB 3.29Å; D458-T462 WeakPolarHBondContact O-CG2 3.49Å; D458-T462 PolarHBondContact O-N 2.83Å; D458-T462 PolarHBondContact O-OG1 3.2Å; K459-T462 PolarHBondContact O-N 3.32Å; K459-T462 PolarHBondContact O-OG1 3.38Å; T462-R466 WeakPolarHBondContact O-CB 3.04Å; T462-R466 WeakPolarHBondContact O-CG 3.4Å; T462-R466 PolarHBondContact O-N 3.11Å
463E77.4Confident77.9Confident125 Ų125110.7 Ų110.758%0.58452%0.52SS*.Hα-helixtrans-74-41.3171.2-172.6169.8-146.500111.9K459 T461 E465 R466 N467K459-E463 VanDerWaalsContact O-CB 3.24Å; K459-E463 WeakPolarHBondContact O-CB 3.39Å; K459-E463 PolarHBondContact O-N 3.22Å; T461-E463 VanDerWaalsContact C-N 3.3Å; T461-E463 PolarHBondContact O-N 3.26Å; E463-E465 VanDerWaalsContact C-N 3.31Å; E463-E465 PolarHBondContact O-N 3.15Å; E463-R466 PolarHBondContact O-N 3Å; E463-N467 PolarHBondContact O-N 3.43Å; E463-N467 PolarHBondContact O-ND2 2.93Å
464R76.9Confident77.6Confident165 Ų165109.7 Ų109.762%0.62352%0.516SS*.Hα-helixtrans-59.2-42.9167.8-87.8-171.9172.485.6-2.9111.8S460 T461 N467 L468S460-R464 WeakPolarHBondContact O-CB 3.46Å; S460-R464 PolarHBondContact O-N 3Å; S460-R464 PolarHBondContact OG-NH1 3.49Å; T461-R464 WeakPolarHBondContact O-CB 3.48Å; T461-R464 PolarHBondContact O-N 2.95Å; R464-N467 PolarHBondContact O-N 3.16Å; R464-L468 WeakPolarHBondContact O-CG 3.43Å; R464-L468 PolarHBondContact O-N 3.42Å
465E77.2Confident77.2Confident102 Ų102110.2 Ų110.248%0.47752%0.518SS..Hα-helixtrans-67.1-42.7179.8-160.8-170.4155.300110.9T461 E463 N467 L468 Q469T461-E465 WeakPolarHBondContact O-CB 3.47Å; T461-E465 PolarHBondContact O-N 2.68Å; E463-E465 VanDerWaalsContact C-N 3.31Å; E463-E465 PolarHBondContact O-N 3.15Å; E465-N467 VanDerWaalsContact C-N 3.33Å; E465-N467 PolarHBondContact O-N 2.96Å; E465-L468 PolarHBondContact O-N 3.45Å; E465-Q469 HydrophobicContact CG-CG 4.33Å; E465-Q469 WeakPolarHBondContact O-CB 3.31Å; E465-Q469 VanDerWaalsContact O-CG 3.28Å; E465-Q469 WeakPolarHBondContact O-CG 3.41Å; E465-Q469 PolarHBondContact O-N 3.27Å; E465-Q469 PolarHBondContact OE1-NE2 2.87Å
466R78.9Confident76.7Confident175 Ų175110 Ų11066%0.6651%0.514SS*.Hα-helixtrans-56.2-45.4170.6-86.4-170.1174.594.5-2.4112.2T462 E463 Q469 Q470T462-R466 WeakPolarHBondContact O-CB 3.04Å; T462-R466 WeakPolarHBondContact O-CG 3.4Å; T462-R466 PolarHBondContact O-N 3.11Å; E463-R466 PolarHBondContact O-N 3Å; R466-Q469 PolarHBondContact O-N 3.27Å; R466-Q470 VanDerWaalsContact O-CB 3.29Å; R466-Q470 WeakPolarHBondContact O-CB 3.17Å; R466-Q470 PolarHBondContact O-N 3.04Å
467N80.3Confident76.1Confident92 Ų92109.6 Ų109.649%0.49251%0.513SS..Hα-helixtrans-63.6-40.3177-83.2-78.4000112.3E463 R464 E465 Q470 R471E463-N467 PolarHBondContact O-N 3.43Å; E463-N467 PolarHBondContact O-ND2 2.93Å; R464-N467 PolarHBondContact O-N 3.16Å; E465-N467 VanDerWaalsContact C-N 3.33Å; E465-N467 PolarHBondContact O-N 2.96Å; N467-Q470 PolarHBondContact O-N 3.49Å; N467-R471 PolarHBondContact O-N 3.2Å
468L78.2Confident75.5Confident107 Ų107107.5 Ų107.556%0.5651%0.511SS*.Hα-helixtrans-69.1-41.4175.7-72.8170.4000112.1R464 E465 Q470 R471 L472R464-L468 WeakPolarHBondContact O-CG 3.43Å; R464-L468 PolarHBondContact O-N 3.42Å; E465-L468 PolarHBondContact O-N 3.45Å; L468-Q470 VanDerWaalsContact C-N 3.3Å; L468-Q470 PolarHBondContact O-N 2.96Å; L468-R471 PolarHBondContact O-N 2.97Å; L468-L472 WeakPolarHBondContact O-CB 3.34Å; L468-L472 WeakPolarHBondContact O-CG 3.27Å; L468-L472 PolarHBondContact O-N 3.38Å
469Q78.2Confident74.6Confident75 Ų75107.8 Ų107.835%0.3551%0.512SS..Hα-helixtrans-68.8-27173.7-69.7-179.312.700112.6E465 R466 R473E465-Q469 HydrophobicContact CG-CG 4.33Å; E465-Q469 WeakPolarHBondContact O-CB 3.31Å; E465-Q469 VanDerWaalsContact O-CG 3.28Å; E465-Q469 WeakPolarHBondContact O-CG 3.41Å; E465-Q469 PolarHBondContact O-N 3.27Å; E465-Q469 PolarHBondContact OE1-NE2 2.87Å; R466-Q469 PolarHBondContact O-N 3.27Å; Q469-R473 WeakPolarHBondContact O-CB 3.48Å; Q469-R473 PolarHBondContact O-N 3.38Å; Q469-R473 PolarHBondContact O-NE 3.36Å; Q469-R473 VanDerWaalsContact O-NE 3.16Å
470Q80.1Confident73.6Confident106 Ų106105.1 Ų105.150%0.49550%0.504SS..Hα-helixtrans-70.7-48.4171.2179.2174.1-15.700109.9R466 N467 L468 L472 R473 E474R466-Q470 VanDerWaalsContact O-CB 3.29Å; R466-Q470 WeakPolarHBondContact O-CB 3.17Å; R466-Q470 PolarHBondContact O-N 3.04Å; N467-Q470 PolarHBondContact O-N 3.49Å; L468-Q470 VanDerWaalsContact C-N 3.3Å; L468-Q470 PolarHBondContact O-N 2.96Å; Q470-L472 VanDerWaalsContact C-N 3.32Å; Q470-L472 PolarHBondContact O-N 3.35Å; Q470-R473 CarbonylContact O-C 3.23Å; Q470-R473 PolarHBondContact O-N 2.95Å; Q470-R473 VanDerWaalsContact O-N 3.12Å; Q470-E474 WeakPolarHBondContact CG-OE1 3.37Å; Q470-E474 PolarHBondContact NE2-OE1 2.91Å; Q470-E474 WeakPolarHBondContact O-CG 3.29Å; Q470-E474 PolarHBondContact O-N 2.6Å
471R76.5Confident72.7Confident174 Ų174108.6 Ų108.666%0.65752%0.523SS*.Hα-helixtrans-61.1-38.3173.1-78.2-173.2172.6-175-1113.2N467 L468 E474 L475N467-R471 PolarHBondContact O-N 3.2Å; L468-R471 PolarHBondContact O-N 2.97Å; R471-E474 PolarHBondContact O-N 2.96Å; R471-L475 WeakPolarHBondContact O-CB 3.28Å; R471-L475 VanDerWaalsContact O-CG 3.26Å; R471-L475 WeakPolarHBondContact O-CG 3.33Å; R471-L475 PolarHBondContact O-N 3.39Å
472L75.7Confident71.6Confident97 Ų97111.3 Ų111.351%0.50854%0.54SS..Hα-helixtrans-64.4-41.6173-81.2167.4000110.9L468 Q470 L475 E476L468-L472 WeakPolarHBondContact O-CB 3.34Å; L468-L472 WeakPolarHBondContact O-CG 3.27Å; L468-L472 PolarHBondContact O-N 3.38Å; Q470-L472 VanDerWaalsContact C-N 3.32Å; Q470-L472 PolarHBondContact O-N 3.35Å; L472-L475 CarbonylContact O-C 3.57Å; L472-L475 PolarHBondContact O-N 3Å; L472-E476 VanDerWaalsContact O-CB 3.3Å; L472-E476 WeakPolarHBondContact O-CB 3.48Å; L472-E476 VanDerWaalsContact O-CG 3.3Å; L472-E476 WeakPolarHBondContact O-CG 3.36Å; L472-E476 PolarHBondContact O-N 2.9Å
473R72.9Confident70.1Confident129 Ų129115.2 Ų115.249%0.48755%0.551SS.*Hα-helixtrans-64.4-38.1171.9-88.9176-78.6-131.7-4.7113.3Q469 Q470 L475 E476 D477Q469-R473 WeakPolarHBondContact O-CB 3.48Å; Q469-R473 PolarHBondContact O-N 3.38Å; Q469-R473 PolarHBondContact O-NE 3.36Å; Q469-R473 VanDerWaalsContact O-NE 3.16Å; Q470-R473 CarbonylContact O-C 3.23Å; Q470-R473 PolarHBondContact O-N 2.95Å; Q470-R473 VanDerWaalsContact O-N 3.12Å; R473-L475 VanDerWaalsContact C-N 3.33Å; R473-L475 PolarHBondContact O-N 3.48Å; R473-E476 PolarHBondContact O-N 3.44Å; R473-D477 VanDerWaalsContact O-CB 3.23Å; R473-D477 WeakPolarHBondContact O-CB 3.29Å; R473-D477 PolarHBondContact O-N 3.19Å
474E75.7Confident68.6Low98 Ų98113.9 Ų113.946%0.45855%0.548SS..Hα-helixtrans-65.2-37.3174.2-70.9163.3-174.600111.5Q470 R471 T478Q470-E474 WeakPolarHBondContact CG-OE1 3.37Å; Q470-E474 PolarHBondContact NE2-OE1 2.91Å; Q470-E474 WeakPolarHBondContact O-CG 3.29Å; Q470-E474 PolarHBondContact O-N 2.6Å; R471-E474 PolarHBondContact O-N 2.96Å; E474-T478 WeakPolarHBondContact O-CB 3.39Å; E474-T478 WeakPolarHBondContact O-CG2 3.41Å; E474-T478 PolarHBondContact O-N 3.48Å; E474-T478 PolarHBondContact O-OG1 2.66Å
475L70.5Confident66.8Low114 Ų114111.7 Ų111.760%0.59756%0.558SS**Hα-helixtrans-72.7-37.3173.4-71.8168.3000112.7R471 L472 R473 T478 L479R471-L475 WeakPolarHBondContact O-CB 3.28Å; R471-L475 VanDerWaalsContact O-CG 3.26Å; R471-L475 WeakPolarHBondContact O-CG 3.33Å; R471-L475 PolarHBondContact O-N 3.39Å; L472-L475 CarbonylContact O-C 3.57Å; L472-L475 PolarHBondContact O-N 3Å; R473-L475 VanDerWaalsContact C-N 3.33Å; R473-L475 PolarHBondContact O-N 3.48Å; L475-T478 WeakPolarHBondContact CA-OG1 3.44Å; L475-T478 PolarHBondContact O-OG1 3.37Å; L475-T478 VanDerWaalsContact O-OG1 3.07Å; L475-L479 WeakPolarHBondContact O-CB 3.42Å; L475-L479 PolarHBondContact O-N 3.18Å
476E68.2Low65Low101 Ų101114.4 Ų114.447%0.47257%0.571SS.*Hα-helixtrans-72.3-38.5175.2-77.3179.2161.300111.5L472 R473 L479 N480L472-E476 VanDerWaalsContact O-CB 3.3Å; L472-E476 WeakPolarHBondContact O-CB 3.48Å; L472-E476 VanDerWaalsContact O-CG 3.3Å; L472-E476 WeakPolarHBondContact O-CG 3.36Å; L472-E476 PolarHBondContact O-N 2.9Å; R473-E476 PolarHBondContact O-N 3.44Å; E476-L479 CarbonylContact O-C 3.58Å; E476-L479 PolarHBondContact O-N 3.27Å; E476-N480 WeakPolarHBondContact O-CA 3.19Å; E476-N480 WeakPolarHBondContact O-CB 3.29Å; E476-N480 PolarHBondContact O-N 3.33Å; E476-N480 PolarHBondContact O-ND2 2.68Å
477D66.9Low62.9Low104 Ų104113.7 Ų113.756%0.55658%0.58SS**Hα-helixtrans-68.2-41.4175.4-81.3-24.9000110.2R473 L479 N480 T481R473-D477 VanDerWaalsContact O-CB 3.23Å; R473-D477 WeakPolarHBondContact O-CB 3.29Å; R473-D477 PolarHBondContact O-N 3.19Å; D477-L479 VanDerWaalsContact C-N 3.32Å; D477-L479 PolarHBondContact O-N 3.2Å; D477-N480 PolarHBondContact O-N 3.14Å; D477-T481 WeakPolarHBondContact O-CB 3.38Å; D477-T481 PolarHBondContact O-N 3.46Å; D477-T481 PolarHBondContact O-OG1 2.84Å
478T65Low60.5Low93 Ų93119.1 Ų119.157%0.57160%0.599SS**Hα-helixtrans-65.6-33.8172.846.80000112.5E474 L475 V482E474-T478 WeakPolarHBondContact O-CB 3.39Å; E474-T478 WeakPolarHBondContact O-CG2 3.41Å; E474-T478 PolarHBondContact O-N 3.48Å; E474-T478 PolarHBondContact O-OG1 2.66Å; L475-T478 WeakPolarHBondContact CA-OG1 3.44Å; L475-T478 PolarHBondContact O-OG1 3.37Å; L475-T478 VanDerWaalsContact O-OG1 3.07Å; T478-V482 WeakPolarHBondContact O-CG2 3.31Å
479L60Low58.5Low102 Ų102119 Ų11953%0.53461%0.607SS.*Hα-helixtrans-74.4-38.4174.3-171.366.2000113.1L475 E476 D477 V482 K483L475-L479 WeakPolarHBondContact O-CB 3.42Å; L475-L479 PolarHBondContact O-N 3.18Å; E476-L479 CarbonylContact O-C 3.58Å; E476-L479 PolarHBondContact O-N 3.27Å; D477-L479 VanDerWaalsContact C-N 3.32Å; D477-L479 PolarHBondContact O-N 3.2Å; L479-V482 PolarHBondContact O-N 3.36Å; L479-K483 PolarHBondContact O-N 3.05Å
480N57Low56.4Low73 Ų73123.8 Ų123.839%0.3963%0.629SS.*Hα-helixtrans-84.8-27.9-175.6-72.9-38.8000112.8E476 D477 V482 K483 N484E476-N480 WeakPolarHBondContact O-CA 3.19Å; E476-N480 WeakPolarHBondContact O-CB 3.29Å; E476-N480 PolarHBondContact O-N 3.33Å; E476-N480 PolarHBondContact O-ND2 2.68Å; D477-N480 PolarHBondContact O-N 3.14Å; N480-V482 PolarHBondContact O-N 2.74Å; N480-K483 PolarHBondContact O-N 3.31Å; N480-N484 PolarHBondContact O-N 2.95Å
481T56.8Low54.3Low118 Ų118125 Ų12572%0.72464%0.638SS**Hα-helixtrans-62.4-26.8168-58.20000111.2D477D477-T481 WeakPolarHBondContact O-CB 3.38Å; D477-T481 PolarHBondContact O-N 3.46Å; D477-T481 PolarHBondContact O-OG1 2.84Å
482V52.2Low52.3Low125 Ų125125.2 Ų125.276%0.75865%0.646SS**Hα-helixtrans-84.2-22.9171.8174.10000112.6T478 L479 N480T478-V482 WeakPolarHBondContact O-CG2 3.31Å; L479-V482 PolarHBondContact O-N 3.36Å; N480-V482 PolarHBondContact O-N 2.74Å
483K47.3Very low50.4Low144 Ų144125.3 Ų125.363%0.62665%0.651SS**Hα-helixtrans-107.2-48.2-168.8-110.5177.5179.2176.30116.7L479 N480L479-K483 PolarHBondContact O-N 3.05Å; N480-K483 PolarHBondContact O-N 3.31Å
484N45.9Very low48.7Very low98 Ų98126.9 Ų126.952%0.52467%0.669SS.*  trans-139.982.2-165.1-79.1-48.8000113.3N480 Q486N480-N484 PolarHBondContact O-N 2.95Å; N484-Q486 PolarHBondContact O-N 3.03Å
485S38.8Very low46.8Very low119 Ų119125.2 Ų125.283%0.83268%0.678SS**  trans-59.348.5150.9-43.60000112.7
486Q39.7Very low45.4Very low158 Ų158127.6 Ų127.674%0.73869%0.69SS**  trans-142.498.2-176.6-98.9168.6-2.200111.6N484N484-Q486 PolarHBondContact O-N 3.03Å
487L35.8Very low44.4Very low161 Ų161128.8 Ų128.884%0.84370%0.703SS**  trans-5.9133164.4-59.889000117.6
488K30.1Very low43.1Very low205 Ų205129.8 Ų129.889%0.89171%0.709SS**  cis61.699.241.4-80.7-168176.5177.70117.7
489S34.9Very low41.9Very low105 Ų105131.1 Ų131.173%0.73471%0.713SS**  trans-174.2113.3142.840.70000110.8
490Q33.8Very low40.8Very low175 Ų175130.8 Ų130.882%0.81872%0.718SS**  84.2111.898.9-75.9-175.3-36.600115.4
491I36.6Very low40.1Very low133 Ų133135.5 Ų135.568%0.68274%0.742SS**  74.9106.779.9-69.9175.9000111V493I491-V493 HydrophobicContact CG2-CG2 4.49Å
492Q33.7Very low39Very low177 Ų177138.5 Ų138.583%0.82775%0.748SS**  85.3155.965.6-167.5-171.938.900113.1
493V37Very low38.3Very low100 Ų100138.3 Ų138.361%0.60675%0.752SS**  trans127.1123.4145.31790000119.2I491I491-V493 HydrophobicContact CG2-CG2 4.49Å
494N36.3Very low37.8Very low162 Ų162137.4 Ų137.487%0.86676%0.758SS**  trans64.5156.4151.7-65.1-4000123.8
495G37.1Very low37.3Very low63 Ų63140 Ų14065%0.64977%0.772SS**  cis172.4-156.7-1.500000113.9
496I40.9Very low37Very low164 Ų164140 Ų14084%0.84177%0.767SS**  trans107.9103.3172.9-61.6167.2000113.9
497V47.3Very low36.7Very low125 Ų125138.3 Ų138.376%0.75877%0.768SS**  86.4132.172.7155.50000111.8
498D38.3Very low36.6Very low126 Ų126135.5 Ų135.567%0.67476%0.762SS**  cis-161.8179.617.1-144.4-9.5000117.2
499N40.1Very low36.7Very low121 Ų121132 Ų13265%0.64776%0.757SS**  trans77.392.7145-74.7-47.3000127.3
500S37.1Very low36.9Very low94 Ų94134.1 Ų134.166%0.65776%0.759SS**  65.1131.196.6-560000126.3
501I41.9Very low37.1Very low172 Ų172131 Ų13188%0.88276%0.757SS**  trans109.7139.2145.7-66.7151.6000120.1
502E34.4Very low37.2Very low182 Ų182130.5 Ų130.585%0.8576%0.764SS**  trans-106.8175.6-162.4-51.6168.2124.500115
503S37.5Very low37.4Very low121 Ų121125.8 Ų125.885%0.84676%0.763SS**  trans126.5162.2139.5750000117.3
504V37Very low37.4Very low125 Ų125125.3 Ų125.376%0.75877%0.77SS**  trans-137.9129.9-147170.90000112.2
505N36Very low37.7Very low152 Ų152125.6 Ų125.681%0.81377%0.771SS**  174162.8127.8-101.4-34.1000116
506T32.4Very low37.9Very low118 Ų118127 Ų12772%0.72478%0.777SS**  trans-58.815417848.50000114.7
507T32Very low38.8Very low123 Ų123124.8 Ų124.876%0.75577%0.773SS**  -179.4153.359.6-33.90000111.6
508S34.1Very low39.4Very low103 Ų103124.4 Ų124.472%0.7277%0.773SS**  trans82.9126.6145.587.10000123.9
509V32.5Very low40.4Very low131 Ų131124 Ų12479%0.79478%0.778SS**  trans54.5127.1154-150.70000121.8
510I39.2Very low41.8Very low150 Ų150123.8 Ų123.877%0.76978%0.783SS**  169.7132128.3-87.7156.8000112.1
511S37.9Very low43.3Very low110 Ų110124.7 Ų124.777%0.76979%0.787SS**  trans60.5153.7161.6-62.60000119.2
512S39.3Very low44.2Very low121 Ų121122 Ų12285%0.84678%0.78SS**  cis-162.8158.911.41.20000111.2
513G36.4Very low45.7Very low78 Ų78118.9 Ų118.980%0.80478%0.776SS**  trans119.484.3146.500000120.6
514A37.3Very low47Very low90 Ų90117.7 Ų117.774%0.74477%0.765SS**  trans24.6115.9144.300000122.6
515N42.1Very low48.1Very low168 Ų168117.1 Ų117.190%0.89876%0.764SS**  -175.2136.3109.2-94.4-26.4000111
516A42.8Very low49.3Very low94 Ų94115.3 Ų115.378%0.77776%0.761SS**PPolyproline II helixtrans-92.6146.7-17700000112.3
517P58.5Low50.6Low116 Ų116115.4 Ų115.475%0.75376%0.763SS**PPolyproline II helixtrans-73.8151.9177.231.3-35.1000112
518P61.6Low51.4Low117 Ų117117.3 Ų117.376%0.7677%0.768SS**PPolyproline II helixtrans-68.6154.2174.730.2-35.2000111.8
519P59.4Low52.3Low118 Ų118117.6 Ų117.677%0.76677%0.767SS**PPolyproline II helixtrans-66.9149.417529.3-35000111.5
520P67.4Low53.4Low117 Ų117116.6 Ų116.676%0.7676%0.763SS**PPolyproline II helixtrans-65.3149.8176.328.1-34.7000111.5
521P69.3Low53.9Low113 Ų113114.8 Ų114.873%0.73476%0.762SS**PPolyproline II helixtrans-64.3151.3175.528.1-34.8000111.5
522P62Low54.3Low115 Ų115115.1 Ų115.175%0.74776%0.761SS**PPolyproline II helixtrans-65.4143.7175.228.4-34.5000110.8
523P65.1Low54.6Low116 Ų116115 Ų11575%0.75376%0.758SS**PPolyproline II helixtrans-64148176.527.4-34.4000111.2
524P65.1Low54.7Low97 Ų97117.2 Ų117.263%0.6376%0.761SS**PPolyproline II helixtrans-61.9151.8174.426.9-34.2000111.2
525P60.7Low54.8Low112 Ų112117.6 Ų117.673%0.72776%0.764SS**PPolyproline II helixtrans-61.2140.9176.126.8-34.2000110.3
526P60.7Low54.4Low114 Ų114113.2 Ų113.274%0.7476%0.758SS**PPolyproline II helixtrans-62.5144.5177.826.8-34.3000110.4
527P58.9Low53.9Low120 Ų120112 Ų11278%0.77975%0.754SS**PPolyproline II helixtrans-59.6142.1173.625.9-33.5000110.3
528L48.4Very low53Low164 Ų164114.1 Ų114.186%0.85976%0.758SS**PPolyproline II helixtrans-55.3134.1172.7-77.4162.4000109.5
529P53.8Low52.1Low108 Ų108113.5 Ų113.570%0.70175%0.754SS**PPolyproline II helixtrans-62138.4177.926-33.5000109.7
530P54.9Low51.7Low110 Ų110113.4 Ų113.471%0.71475%0.753SS**PPolyproline II helixtrans-60149.6172.126.7-33.8000109.9
531P50Low50.9Low113 Ų113113.4 Ų113.473%0.73475%0.753SS**PPolyproline II helixtrans-56.3140.7175.324.8-33.9000109.8
532P47.6Very low50Low116 Ų116113.6 Ų113.675%0.75375%0.754SS**PPolyproline II helixtrans-59.1130.5-172.422.8-33.4000110.3S534P532-S534 PolarHBondContact O-N 3.32Å
533P45.1Very low49.6Very low120 Ų120113.6 Ų113.678%0.77976%0.755SS**PPolyproline II helixtrans-61.1128.3174.324.7-31.1000108.3A535P533-A535 PolarHBondContact O-N 3.41Å
534S39Very low49Very low124 Ų124113.9 Ų113.987%0.86776%0.756SS**  trans-60.9100.4174.8-64.10000109.3P532 G536P532-S534 PolarHBondContact O-N 3.32Å; S534-G536 PolarHBondContact O-N 3.26Å
535A38.4Very low48.2Very low98 Ų98114.6 Ų114.681%0.8176%0.761SS**  trans-60.4106.717700000108.9P533 G537P533-A535 PolarHBondContact O-N 3.41Å; A535-G537 PolarHBondContact O-N 2.8Å
536G33.3Very low47.7Very low76 Ų76115.2 Ų115.278%0.78477%0.765SS**  trans-70.370.5177.600000111.8S534 I538S534-G536 PolarHBondContact O-N 3.26Å; G536-I538 PolarHBondContact O-N 3.25Å
537G33.4Very low47.1Very low67 Ų67116.3 Ų116.369%0.69177%0.772SS**  trans-68.8107161.200000108.8A535 P539A535-G537 PolarHBondContact O-N 2.8Å; G537-P539 VanDerWaalsContact O-CD 3.31Å; G537-P539 WeakPolarHBondContact O-CD 3.4Å
538I38.8Very low46.3Very low162 Ų162113.4 Ų113.483%0.83176%0.764SS**PPolyproline II helixtrans-63117.4172.3-62.9169.2000107.4G536G536-I538 PolarHBondContact O-N 3.25Å
539P43.1Very low45.7Very low103 Ų103114.6 Ų114.667%0.66977%0.767SS**PPolyproline II helixtrans-66.9147.7172.929.1-33.8000109.6G537G537-P539 VanDerWaalsContact O-CD 3.31Å; G537-P539 WeakPolarHBondContact O-CD 3.4Å
540P50Low44.8Very low116 Ų116113.4 Ų113.475%0.75378%0.775SS**PPolyproline II helixtrans-58.8145.9177.725.6-34.3000110.9
541P51.2Low43.9Very low118 Ų118113.1 Ų113.177%0.76678%0.782SS**PPolyproline II helixtrans-63139.3-177.425.9-34.3000111.1
542P50.8Low43Very low116 Ų116116.6 Ų116.675%0.75379%0.79SS**PPolyproline II helixtrans-66.9150.3177.728.2-34.6000111.3
543P54.2Low42.4Very low116 Ų116117.8 Ų117.875%0.75380%0.795SS**PPolyproline II helixtrans-63.8149176.627.3-34.6000111.6
544P51.6Low42Very low121 Ų121118 Ų11879%0.78680%0.797SS**PPolyproline II helixtrans-66.7139.6-178.827.2-34.4000111.7
545P48.9Very low41.9Very low112 Ų112115.9 Ų115.973%0.72779%0.794SS**PPolyproline II helixtrans-71.8151.1179.329.4-34.8000112.2
546P49.4Very low41.8Very low126 Ų126116 Ų11682%0.81880%0.795SS**PPolyproline II helixtrans-60.9136.3174.7-2233.4000112.4
547P49.5Very low42.1Very low137 Ų137120.4 Ų120.489%0.8980%0.795SS**PPolyproline II helixtrans-79.4128175.3-11.327.3000112.6
548G41.4Very low42.5Very low58 Ų58120.5 Ų120.560%0.59880%0.796SS**  trans132.8135.9157.500000116.3
549M36.4Very low42.9Very low190 Ų190116.6 Ų116.694%0.93678%0.78SS**  trans60.9112.7169.4-61.774.7174.100115.7
550G34.6Very low43.5Very low83 Ų83116 Ų11686%0.85678%0.778SS**  cis10673.97.600000113.1
551A35.5Very low43.6Very low104 Ų104117.1 Ų117.186%0.8678%0.776SS**  trans-161.1138.4157.900000109.8
552M31.8Very low43.9Very low185 Ų185115.8 Ų115.891%0.91176%0.756SS**  trans-85.9144.8-175.9-65.115763.500112.3
553V35.1Very low44.3Very low141 Ų141115.5 Ų115.586%0.85575%0.754SS**  trans-133.5127.3152.6-172.30000107.4
554P36.3Very low44.6Very low126 Ų126115.9 Ų115.982%0.81876%0.756SS**  trans-84.3143.5-17632.4-32.4000112
555G36.4Very low45.8Very low78 Ų78115.9 Ų115.980%0.80475%0.749SS**  trans15816.9176.300000117
556A35.3Very low47.2Very low101 Ų101118.6 Ų118.684%0.83575%0.752SS**  trans-96.5102.117900000110.8G558A556-G558 PolarHBondContact O-N 3.42Å
557E41Very low48.5Very low168 Ų168114.8 Ų114.879%0.78573%0.726SS**PPolyproline II helixtrans-67.3116.4169.3-65.7-172.5150.100109.7
558G40.4Very low50Low70 Ų70112.9 Ų112.972%0.72270%0.701SS**PPolyproline II helixtrans-99.8124.6175.700000110.2A556 S560A556-G558 PolarHBondContact O-N 3.42Å; G558-S560 PolarHBondContact O-N 2.98Å
559V49Very low52Low80 Ų80112.5 Ų112.549%0.48568%0.682SS.*PPolyproline II helixtrans-56118.4175.1-179.10000110.1I561V559-I561 PolarHBondContact O-N 2.59Å
560S54Low53.9Low91 Ų91110.5 Ų110.564%0.63667%0.668SS**  trans-77.6109.5178.355.50000111G558 R562G558-S560 PolarHBondContact O-N 2.98Å; S560-R562 PolarHBondContact O-N 3.07Å
561I53.3Low56Low139 Ų139108.2 Ų108.271%0.71364%0.636SS**  trans-72.4113.4175.3-57.2174.1000109.3V559V559-I561 PolarHBondContact O-N 2.59Å
562R57.8Low57.8Low90 Ų90106.6 Ų106.634%0.3462%0.617SS.*PPolyproline II helixtrans-85.6157.6174.1-74-156.2-159.486.720.3112.8S560 N593 D594 E595S560-R562 PolarHBondContact O-N 3.07Å; R562-N593 PolarHBondContact NH2-OD1 3.36Å; R562-D594 IonicContact NH1-OD1 3.67Å; R562-D594 PolarHBondContact NH1-OD1 3.39Å; R562-E595 IonicContact CZ-OE1 3.46Å; R562-E595 IonicContact CZ-OE2 3.32Å; R562-E595 IonicContact NE-OE1 3.45Å; R562-E595 PolarHBondContact NE-OE1 2.85Å; R562-E595 IonicContact NE-OE2 3.47Å; R562-E595 IonicContact NH2-OE1 3.57Å; R562-E595 PolarHBondContact NH2-OE1 3.08Å; R562-E595 IonicContact NH2-OE2 3.18Å; R562-E595 PolarHBondContact NH2-OE2 2.87Å
563P57.8Low59.9Low110 Ų110105.8 Ų105.871%0.71462%0.615SS**PPolyproline II helixtrans-66153.4166.729.4-35.8000112
564P61.6Low61.6Low123 Ų123103.6 Ų103.680%0.79960%0.602SS**PPolyproline II helixtrans-63.4141.9177.7-21.733.2000113.7
565I76Confident62.6Low122 Ų122105.4 Ų105.463%0.62661%0.605SS**PPolyproline II helixtrans-70.7136.5174.2-56.5174.3000110L598I565-L598 HydrophobicContact CD1-CD1 3.7Å; I565-L598 HydrophobicContact CD1-CD2 3.97Å; I565-L598 HydrophobicContact CD1-CG 4.49Å
566Q78.1Confident64.5Low168 Ų168110.4 Ų110.479%0.78560%0.6SS**  trans-97.2114.8175.7-66.7-178.90.200110.6
567T76.8Confident66.4Low47 Ų47112.5 Ų112.529%0.28860%0.602SS.*  trans-88.6151.1177.558.90000112Y569 L571 E607T567-Y569 WeakPolarHBondContact CB-O 3.44Å; T567-Y569 PolarHBondContact OG1-O 2.79Å; T567-L571 HydrophobicContact CG2-CD1 3.94Å; T567-E607 VanDerWaalsContact CA-OE1 3.27Å; T567-E607 WeakPolarHBondContact CA-OE1 3.28Å; T567-E607 VanDerWaalsContact CB-OE1 3.31Å; T567-E607 WeakPolarHBondContact CB-OE1 3.44Å; T567-E607 HydrophobicContact CG2-CG 4.46Å
568R81.9Confident68.1Low97 Ų97110.8 Ų110.837%0.36660%0.598SS.*SBendtrans-70.5-32.4175.3-60-178.7-107.6-174.3-10.5112.3E604 E607 S616 V617R568-E604 IonicContact CZ-OE1 2.69Å; R568-E604 IonicContact CZ-OE2 3.98Å; R568-E604 IonicContact NH1-OE1 3.68Å; R568-E604 PolarHBondContact NH1-OE1 2.93Å; R568-E604 IonicContact NH1-OE2 3.42Å; R568-E604 PolarHBondContact NH1-OE2 3.42Å; R568-E604 VanDerWaalsContact NH2-CB 3.33Å; R568-E604 IonicContact NH2-OE1 3.35Å; R568-E604 IonicContact NH2-OE2 3.08Å; R568-E604 PolarHBondContact NH2-OE2 2.84Å; R568-E607 VanDerWaalsContact CA-OE2 3.27Å; R568-E607 WeakPolarHBondContact CA-OE2 3.23Å; R568-E607 VanDerWaalsContact CB-OE2 3.23Å; R568-E607 WeakPolarHBondContact CB-OE2 3.44Å; R568-E607 PolarHBondContact N-OE1 2.69Å; R568-E607 PolarHBondContact N-OE2 3.35Å; R568-S616 CarbonylContact O-C 3.57Å; R568-S616 WeakPolarHBondContact O-CA 3.45Å; R568-S616 WeakPolarHBondContact O-CB 3.41Å; R568-S616 PolarHBondContact O-OG 3.32Å; R568-V617 PolarHBondContact O-N 3.45Å
569Y82.2Confident69.9Low50 Ų50110.8 Ų110.820%0.19658%0.581CS.*BIsolated β-bridgetrans-119158.1176.3-58.6-71.2000112.4T567 E607 K611 V617T567-Y569 WeakPolarHBondContact CB-O 3.44Å; T567-Y569 PolarHBondContact OG1-O 2.79Å; Y569-E607 HydrophobicContact CD2-CB 4.3Å; Y569-E607 PolarHBondContact N-OE2 3.3Å; Y569-K611 HydrophobicContact CD1-CB 4.45Å; Y569-K611 HydrophobicContact CD1-CD 4.35Å; Y569-K611 HydrophobicContact CD2-CB 4.32Å; Y569-K611 HydrophobicContact CD2-CD 4.25Å; Y569-K611 HydrophobicContact CE2-CD 4.4Å; Y569-K611 HydrophobicContact CG-CB 3.89Å; Y569-K611 HydrophobicContact CG-CD 4.22Å; Y569-V617 VanDerWaalsContact C-CG2 3.47Å
570K76.4Confident71.2Confident147 Ų147114.1 Ų114.164%0.63959%0.588SS**  trans-78.2120.1173.5-157.2176.8-170.9177.60108.7L612 V617K570-L612 HydrophobicContact CG-CD1 4.45Å; K570-L612 VanDerWaalsContact O-CB 3.32Å; K570-L612 WeakPolarHBondContact O-CB 3.44Å; K570-L612 WeakPolarHBondContact O-CG 3.34Å; K570-L612 PolarHBondContact O-N 2.73Å; K570-V617 HydrophobicContact CB-CG2 4.28Å
571L79Confident72Confident36 Ų36115.2 Ų115.219%0.18859%0.587CS.*  trans-104.5159.9-175.1-48.6-177.7000111.9T567 F606 E607 F610 L612T567-L571 HydrophobicContact CG2-CD1 3.94Å; L571-F606 HydrophobicContact CD1-CD1 4.36Å; L571-F606 HydrophobicContact CD1-CE1 3.91Å; L571-E607 HydrophobicContact CD1-CG 4.22Å; L571-E607 HydrophobicContact CD2-CB 4.36Å; L571-E607 HydrophobicContact CD2-CG 4.28Å; L571-F610 WeakPolarHBondContact CA-O 3.43Å; L571-F610 HydrophobicContact CD2-CB 4.42Å; L571-F610 VanDerWaalsContact CD2-O 3.31Å; L571-F610 WeakPolarHBondContact CD2-O 3.48Å; L571-L612 WeakPolarHBondContact O-CD1 3.35Å
572P74.1Confident73Confident69 Ų69116.8 Ų116.845%0.44859%0.592SS.*PPolyproline II helixtrans-52.1145.5164.7-23.629.3000112F610 L612P572-F610 WeakPolarHBondContact CD-O 3.42Å; P572-L612 HydrophobicContact CB-CD2 4.48Å; P572-L612 HydrophobicContact CG-CD2 3.8Å; P572-L612 HydrophobicContact CG-CG 4.38Å
573L74.9Confident74Confident168 Ų168117.3 Ų117.388%0.8860%0.598SS**PPolyproline II helixtrans-87.6127.5171.4-65.6171.6000109.5N575L573-N575 PolarHBondContact O-N 3.25Å
574V70.6Confident74.8Confident96 Ų96113.4 Ų113.458%0.58257%0.571SS**PPolyproline II helixtrans-73.1119.6165.4-178.10000107.5W576V574-W576 HydrophobicContact CB-CD2 4.02Å; V574-W576 HydrophobicContact CB-CE3 4.39Å; V574-W576 HydrophobicContact CB-CG 4.28Å; V574-W576 HydrophobicContact CG1-CB 4.06Å; V574-W576 HydrophobicContact CG1-CD2 3.7Å; V574-W576 HydrophobicContact CG1-CE3 3.84Å; V574-W576 HydrophobicContact CG1-CG 3.82Å; V574-W576 PolarHBondContact O-N 3.18Å; V574-W576 PolarHBondContact O-NE1 3.22Å
575N59.3Low75.4Confident164 Ų164118.2 Ų118.288%0.87757%0.573SS**  trans-83.247.6-178.3-164.540.2000112.1L573L573-N575 PolarHBondContact O-N 3.25Å
576W75.4Confident75.5Confident182 Ų182116.5 Ų116.569%0.68959%0.586SS**  trans-73.4142.7178.143.920.5000112.3V574 L578V574-W576 HydrophobicContact CB-CD2 4.02Å; V574-W576 HydrophobicContact CB-CE3 4.39Å; V574-W576 HydrophobicContact CB-CG 4.28Å; V574-W576 HydrophobicContact CG1-CB 4.06Å; V574-W576 HydrophobicContact CG1-CD2 3.7Å; V574-W576 HydrophobicContact CG1-CE3 3.84Å; V574-W576 HydrophobicContact CG1-CG 3.82Å; V574-W576 PolarHBondContact O-N 3.18Å; V574-W576 PolarHBondContact O-NE1 3.22Å; W576-L578 PolarHBondContact O-N 3.06Å
577V74.8Confident75.7Confident145 Ų145110.6 Ų110.688%0.87956%0.561SS**  trans-85.1103.3175.8-177.80000108.7L579V577-L579 PolarHBondContact O-N 3.42Å
578L77.7Confident75.9Confident133 Ų133113.2 Ų113.270%0.69657%0.572SS**PPolyproline II helixtrans-65.2129.4-178.8-65.1166.3000111.5W576 K580W576-L578 PolarHBondContact O-N 3.06Å; L578-K580 PolarHBondContact O-N 2.94Å
579L76.7Confident75.9Confident70 Ų70113.3 Ų113.337%0.36658%0.575SS.*PPolyproline II helixtrans-66.6125.5164.3-70175.5000109.2V577 Q583 L584 T587 F589V577-L579 PolarHBondContact O-N 3.42Å; L579-Q583 HydrophobicContact CB-CB 4.35Å; L579-Q583 HydrophobicContact CD2-CB 4.04Å; L579-L584 HydrophobicContact CB-CD2 3.87Å; L579-L584 HydrophobicContact CB-CG 4.47Å; L579-L584 HydrophobicContact CD1-CD2 4.11Å; L579-T587 HydrophobicContact CD1-CG2 4.44Å; L579-F589 HydrophobicContact CD1-CD2 3.45Å; L579-F589 VanDerWaalsContact CD1-CD2 3.45Å; L579-F589 HydrophobicContact CD1-CE2 3.48Å; L579-F589 VanDerWaalsContact CD1-CE2 3.48Å; L579-F589 HydrophobicContact CD1-CG 4.49Å
580K76.1Confident75.5Confident149 Ų149113.5 Ų113.565%0.64858%0.582SS**PPolyproline II helixtrans-65.3150.7172.1-60.6176.3-176.5177.40109L578 Q582 Q583 L584L578-K580 PolarHBondContact O-N 2.94Å; K580-Q582 PolarHBondContact O-N 3.25Å; K580-Q583 HydrophobicContact CB-CG 4.39Å; K580-Q583 WeakPolarHBondContact O-CA 2.98Å; K580-Q583 WeakPolarHBondContact O-CB 3.47Å; K580-Q583 PolarHBondContact O-N 3.04Å; K580-L584 PolarHBondContact O-N 3.12Å
581N72.1Confident75.4Confident114 Ų114109.8 Ų109.861%0.6159%0.585SS**THydrogen-bonded Turntrans-50.3-29.2-179-72-19.9000115
582Q73.3Confident75.2Confident173 Ų173111.9 Ų111.981%0.80860%0.595SS**THydrogen-bonded Turntrans-70.8-32.9175.5-65.5168.2-5.500113.1K580K580-Q582 PolarHBondContact O-N 3.25Å
583Q79.3Confident75.2Confident100 Ų100112.9 Ų112.947%0.46760%0.597SS.*THydrogen-bonded Turntrans-81.8-13179.3-58.2173.7-79.900112.7L579 K580 R585 T587L579-Q583 HydrophobicContact CB-CB 4.35Å; L579-Q583 HydrophobicContact CD2-CB 4.04Å; K580-Q583 HydrophobicContact CB-CG 4.39Å; K580-Q583 WeakPolarHBondContact O-CA 2.98Å; K580-Q583 WeakPolarHBondContact O-CB 3.47Å; K580-Q583 PolarHBondContact O-N 3.04Å; Q583-R585 VanDerWaalsContact C-N 3.35Å; Q583-T587 WeakPolarHBondContact O-CG2 3.39Å
584L74.3Confident75.4Confident29 Ų29109.1 Ų109.115%0.15258%0.577CS.*  trans-69.6-30.2176.8-67.6175.1000112.5L579 K580 G586 T587 F589 V590L579-L584 HydrophobicContact CB-CD2 3.87Å; L579-L584 HydrophobicContact CB-CG 4.47Å; L579-L584 HydrophobicContact CD1-CD2 4.11Å; K580-L584 PolarHBondContact O-N 3.12Å; L584-G586 PolarHBondContact O-N 2.85Å; L584-T587 WeakPolarHBondContact O-CB 3.41Å; L584-T587 PolarHBondContact O-N 2.85Å; L584-T587 PolarHBondContact O-OG1 2.93Å; L584-F589 HydrophobicContact CD2-CB 3.84Å; L584-F589 HydrophobicContact CD2-CG 4.41Å; L584-V590 WeakPolarHBondContact O-CG2 3.37Å
585R74.8Confident75.6Confident224 Ų224108.9 Ų108.985%0.84557%0.57SS**THydrogen-bonded Turntrans-59.8124.3-176.5-77.3-172.8170.9-165.9-3.1111.6Q583 T587Q583-R585 VanDerWaalsContact C-N 3.35Å; R585-T587 VanDerWaalsContact C-N 3.3Å
586G78.3Confident76.4Confident86 Ų86104.8 Ų104.889%0.88756%0.558SS**THydrogen-bonded Turntrans77.512.3-178.300000114.5L584L584-G586 PolarHBondContact O-N 2.85Å
587T82.2Confident76.5Confident44 Ų44100.2 Ų100.227%0.2755%0.55SS.*SBendtrans-102.8159171.770.40000111L579 Q583 L584 R585 F589 V590L579-T587 HydrophobicContact CD1-CG2 4.44Å; Q583-T587 WeakPolarHBondContact O-CG2 3.39Å; L584-T587 WeakPolarHBondContact O-CB 3.41Å; L584-T587 PolarHBondContact O-N 2.85Å; L584-T587 PolarHBondContact O-OG1 2.93Å; R585-T587 VanDerWaalsContact C-N 3.3Å; T587-F589 PolarHBondContact O-N 3.36Å; T587-V590 WeakPolarHBondContact O-CG2 3.5Å; T587-V590 PolarHBondContact O-N 3.05Å; T587-V590 VanDerWaalsContact O-N 3.16Å
588I80.4Confident76.6Confident101 Ų10195.9 Ų95.952%0.51852%0.522SS..G310 helixtrans-53.2-26.6177.165.4175.6000113.3V590 G591 M592I588-V590 PolarHBondContact O-N 2.95Å; I588-G591 PolarHBondContact O-N 3.03Å; I588-M592 HydrophobicContact CD1-CE 4.29Å; I588-M592 HydrophobicContact CG1-SD 4.46Å
589F81.3Confident76.8Confident100 Ų10096.4 Ų96.444%0.43953%0.526SS..G310 helixtrans-68.8-12.2-177.5-58-74000114.4L579 L584 T587 G591 M592L579-F589 HydrophobicContact CD1-CD2 3.45Å; L579-F589 VanDerWaalsContact CD1-CD2 3.45Å; L579-F589 HydrophobicContact CD1-CE2 3.48Å; L579-F589 VanDerWaalsContact CD1-CE2 3.48Å; L579-F589 HydrophobicContact CD1-CG 4.49Å; L584-F589 HydrophobicContact CD2-CB 3.84Å; L584-F589 HydrophobicContact CD2-CG 4.41Å; T587-F589 PolarHBondContact O-N 3.36Å; F589-G591 VanDerWaalsContact C-N 3.33Å; F589-M592 HydrophobicContact CD1-SD 3.98Å; F589-M592 HydrophobicContact CE1-SD 4.37Å
590V74.3Confident77.1Confident54 Ų5497.2 Ų97.233%0.32754%0.543SS..G310 helixtrans-69.5-31.7179.1-179.20000112.1L584 T587 I588L584-V590 WeakPolarHBondContact O-CG2 3.37Å; T587-V590 WeakPolarHBondContact O-CG2 3.5Å; T587-V590 PolarHBondContact O-N 3.05Å; T587-V590 VanDerWaalsContact O-N 3.16Å; I588-V590 PolarHBondContact O-N 2.95Å
591G74.8Confident77.4Confident69 Ų6994.9 Ų94.971%0.71154%0.536SS*.SBendtrans-99.1-5.517900000115.1I588 F589I588-G591 PolarHBondContact O-N 3.03Å; F589-G591 VanDerWaalsContact C-N 3.33Å
592M75.3Confident78.2Confident79 Ų7994.1 Ų94.139%0.38953%0.533SS..  trans-80.1126.1-177.9-76179.8152.400111.7D162 I588 F589D162-M592 HydrophobicContact CB-CE 4.25Å; I588-M592 HydrophobicContact CD1-CE 4.29Å; I588-M592 HydrophobicContact CG1-SD 4.46Å; F589-M592 HydrophobicContact CD1-SD 3.98Å; F589-M592 HydrophobicContact CE1-SD 4.37Å
593N73.7Confident78.7Confident91 Ų9189.1 Ų89.149%0.48751%0.514SS..  trans-123.9114.8170.2-178.44.7000109.9R562 E595R562-N593 PolarHBondContact NH2-OD1 3.36Å; N593-E595 VanDerWaalsContact OD1-CB 3.28Å; N593-E595 WeakPolarHBondContact OD1-CB 3.47Å; N593-E595 PolarHBondContact OD1-N 2.81Å; N593-E595 VanDerWaalsContact OD1-N 3.09Å
594D78.2Confident79Confident89 Ų8989 Ų8948%0.47651%0.513SS..  trans-79.1-9.5-177.162.2-14.9000114.6R562 A596 V597 L598R562-D594 IonicContact NH1-OD1 3.67Å; R562-D594 PolarHBondContact NH1-OD1 3.39Å; D594-A596 PolarHBondContact O-N 3.26Å; D594-V597 CarbonylContact O-C 3.57Å; D594-V597 WeakPolarHBondContact O-CA 3.43Å; D594-V597 WeakPolarHBondContact O-CB 3.32Å; D594-V597 PolarHBondContact O-N 2.89Å; D594-L598 HydrophobicContact CB-CD1 4.3Å; D594-L598 WeakPolarHBondContact O-CG 3.32Å; D594-L598 PolarHBondContact O-N 3.45Å
595E76.4Confident79.6Confident91 Ų9193.9 Ų93.943%0.42553%0.533SS..Hα-helixtrans-60.3-47.2-173.9-161.4160.8-131.200112.7R562 N593 V597 L598 D599R562-E595 IonicContact CZ-OE1 3.46Å; R562-E595 IonicContact CZ-OE2 3.32Å; R562-E595 IonicContact NE-OE1 3.45Å; R562-E595 PolarHBondContact NE-OE1 2.85Å; R562-E595 IonicContact NE-OE2 3.47Å; R562-E595 IonicContact NH2-OE1 3.57Å; R562-E595 PolarHBondContact NH2-OE1 3.08Å; R562-E595 IonicContact NH2-OE2 3.18Å; R562-E595 PolarHBondContact NH2-OE2 2.87Å; N593-E595 VanDerWaalsContact OD1-CB 3.28Å; N593-E595 WeakPolarHBondContact OD1-CB 3.47Å; N593-E595 PolarHBondContact OD1-N 2.81Å; N593-E595 VanDerWaalsContact OD1-N 3.09Å; E595-V597 PolarHBondContact O-N 2.75Å; E595-L598 PolarHBondContact O-N 3.35Å; E595-D599 PolarHBondContact O-N 3.41Å
596A75.9Confident80.1Confident77 Ų7788.2 Ų88.264%0.63652%0.515SS*.Hα-helixtrans-67.9-22.3176.600000113.1D594D594-A596 PolarHBondContact O-N 3.26Å
597V75.8Confident80.6Confident86 Ų8685 Ų8552%0.52148%0.477SS..Hα-helixtrans-80.6-44.1174.6-175.10000109.8D594 E595 D599 A600 L601D594-V597 CarbonylContact O-C 3.57Å; D594-V597 WeakPolarHBondContact O-CA 3.43Å; D594-V597 WeakPolarHBondContact O-CB 3.32Å; D594-V597 PolarHBondContact O-N 2.89Å; E595-V597 PolarHBondContact O-N 2.75Å; V597-D599 PolarHBondContact O-N 2.96Å; V597-A600 PolarHBondContact O-N 3.3Å; V597-L601 HydrophobicContact CG1-CD1 4.09Å; V597-L601 HydrophobicContact CG1-CG 4.39Å; V597-L601 VanDerWaalsContact O-CG 3.3Å; V597-L601 WeakPolarHBondContact O-CG 3.25Å; V597-L601 PolarHBondContact O-N 3.44Å; V597-L601 VanDerWaalsContact O-N 3.09Å
598L78.3Confident80.8Confident54 Ų5485.6 Ų85.628%0.28348%0.479SS..Hα-helixtrans-59.3-42.3175.8-76.9161.7000112.3I565 D594 E595 A600 L601I565-L598 HydrophobicContact CD1-CD1 3.7Å; I565-L598 HydrophobicContact CD1-CD2 3.97Å; I565-L598 HydrophobicContact CD1-CG 4.49Å; D594-L598 HydrophobicContact CB-CD1 4.3Å; D594-L598 WeakPolarHBondContact O-CG 3.32Å; D594-L598 PolarHBondContact O-N 3.45Å; E595-L598 PolarHBondContact O-N 3.35Å; L598-A600 PolarHBondContact O-N 2.88Å; L598-L601 PolarHBondContact O-N 2.8Å
599D81.8Confident81Confident145 Ų14586.8 Ų86.878%0.77549%0.485SS*.THydrogen-bonded Turntrans-66-22.8175.2-79.2-13.5000113.3E595 V597E595-D599 PolarHBondContact O-N 3.41Å; V597-D599 PolarHBondContact O-N 2.96Å
600A83Confident81.1Confident87 Ų8786.9 Ų86.972%0.71949%0.486SS*.THydrogen-bonded Turntrans-92.5-11.9177.400000113.8V597 L598V597-A600 PolarHBondContact O-N 3.3Å; L598-A600 PolarHBondContact O-N 2.88Å
601L81.9Confident81.7Confident99 Ų9987.3 Ų87.352%0.51848%0.483SS..SBendtrans-87.9136.4-178.7-75.8169.3000112V597 L598 T603V597-L601 HydrophobicContact CG1-CD1 4.09Å; V597-L601 HydrophobicContact CG1-CG 4.39Å; V597-L601 VanDerWaalsContact O-CG 3.3Å; V597-L601 WeakPolarHBondContact O-CG 3.25Å; V597-L601 PolarHBondContact O-N 3.44Å; V597-L601 VanDerWaalsContact O-N 3.09Å; L598-L601 PolarHBondContact O-N 2.8Å; L601-T603 HydrophobicContact CB-CG2 4.42Å; L601-T603 PolarHBondContact O-N 3.35Å
602D88.5Confident81.7Confident99 Ų9989.3 Ų89.353%0.52948%0.477SS..  trans-73.375.9169.1-175.8-5.9000110.3E604 K605 F606D602-E604 PolarHBondContact O-N 3.28Å; D602-E604 PolarHBondContact OD1-N 3.38Å; D602-K605 HydrophobicContact CB-CB 4.23Å; D602-K605 PolarHBondContact O-N 3.29Å; D602-K605 WeakPolarHBondContact OD1-CB 3.12Å; D602-K605 PolarHBondContact OD1-N 2.77Å; D602-K605 WeakPolarHBondContact OD2-CB 3.35Å; D602-K605 WeakPolarHBondContact OD2-CD 3.46Å; D602-F606 WeakPolarHBondContact O-CB 3.23Å; D602-F606 PolarHBondContact O-N 3Å
603T84.4Confident81.6Confident68 Ų6888 Ų8842%0.41748%0.475SS..Hα-helixtrans-61.2-28.3179.152.70000112.2L601 E607L601-T603 HydrophobicContact CB-CG2 4.42Å; L601-T603 PolarHBondContact O-N 3.35Å; T603-E607 WeakPolarHBondContact O-CB 3.43Å; T603-E607 WeakPolarHBondContact O-CG 3.49Å; T603-E607 PolarHBondContact O-N 2.85Å
604E85.3Confident81.8Confident96 Ų9689.8 Ų89.845%0.44949%0.485SS..Hα-helixtrans-69.1-45.6177.1-178.9139.1-155.400112.5R568 D602 N608R568-E604 IonicContact CZ-OE1 2.69Å; R568-E604 IonicContact CZ-OE2 3.98Å; R568-E604 IonicContact NH1-OE1 3.68Å; R568-E604 PolarHBondContact NH1-OE1 2.93Å; R568-E604 IonicContact NH1-OE2 3.42Å; R568-E604 PolarHBondContact NH1-OE2 3.42Å; R568-E604 VanDerWaalsContact NH2-CB 3.33Å; R568-E604 IonicContact NH2-OE1 3.35Å; R568-E604 IonicContact NH2-OE2 3.08Å; R568-E604 PolarHBondContact NH2-OE2 2.84Å; D602-E604 PolarHBondContact O-N 3.28Å; D602-E604 PolarHBondContact OD1-N 3.38Å; E604-N608 WeakPolarHBondContact O-CB 3.17Å; E604-N608 PolarHBondContact O-N 3.1Å; E604-N608 VanDerWaalsContact O-N 3.11Å; E604-N608 PolarHBondContact O-ND2 3.48Å
605K88Confident81.3Confident132 Ų13293.1 Ų93.157%0.57450%0.498SS*.Hα-helixtrans-67.3-41.2173.1-178.6-178.5175.5-173.30111.3D602 N608 L609D602-K605 HydrophobicContact CB-CB 4.23Å; D602-K605 PolarHBondContact O-N 3.29Å; D602-K605 WeakPolarHBondContact OD1-CB 3.12Å; D602-K605 PolarHBondContact OD1-N 2.77Å; D602-K605 WeakPolarHBondContact OD2-CB 3.35Å; D602-K605 WeakPolarHBondContact OD2-CD 3.46Å; K605-N608 PolarHBondContact O-N 2.85Å; K605-L609 HydrophobicContact CG-CD1 3.95Å; K605-L609 WeakPolarHBondContact O-CB 3.42Å; K605-L609 VanDerWaalsContact O-CG 3.31Å; K605-L609 WeakPolarHBondContact O-CG 3.35Å; K605-L609 PolarHBondContact O-N 2.99Å
606F85.4Confident80.6Confident105 Ų10590.6 Ų90.646%0.46149%0.49SS..Hα-helixtrans-59.1-53.4176.9-179.2-99.2000111.6L571 D602 N608 L609 F610L571-F606 HydrophobicContact CD1-CD1 4.36Å; L571-F606 HydrophobicContact CD1-CE1 3.91Å; D602-F606 WeakPolarHBondContact O-CB 3.23Å; D602-F606 PolarHBondContact O-N 3Å; F606-N608 VanDerWaalsContact C-N 3.28Å; F606-N608 PolarHBondContact O-N 3.47Å; F606-L609 PolarHBondContact O-N 3Å; F606-L609 VanDerWaalsContact O-N 3.16Å; F606-F610 AromaticContact CD2-CD2 3.57Å; F606-F610 HydrophobicContact CD2-CD2 3.57Å; F606-F610 AromaticContact CD2-CE2 3.77Å; F606-F610 HydrophobicContact CD2-CE2 3.77Å; F606-F610 AromaticContact CE2-CD2 3.44Å; F606-F610 HydrophobicContact CE2-CD2 3.44Å; F606-F610 VanDerWaalsContact CE2-CD2 3.44Å; F606-F610 AromaticContact CE2-CE2 3.57Å; F606-F610 HydrophobicContact CE2-CE2 3.57Å; F606-F610 HydrophobicContact CE2-CG 4.19Å; F606-F610 HydrophobicContact CE2-CZ 4.41Å; F606-F610 HydrophobicContact CG-CD2 4.21Å; F606-F610 AromaticContact CZ-CD2 3.99Å; F606-F610 HydrophobicContact CZ-CD2 3.99Å; F606-F610 HydrophobicContact CZ-CE2 4.46Å; F606-F610 HydrophobicContact CZ-CG 4.32Å; F606-F610 WeakPolarHBondContact O-CD2 3.49Å; F606-F610 PolarHBondContact O-N 2.94Å
607E88.6Confident79.9Confident18 Ų1890.3 Ų90.38%0.08448%0.48CS..Hα-helixtrans-61.3-34.8178-77.9-161.5-147.500113T567 R568 Y569 L571 T603 K611T567-E607 VanDerWaalsContact CA-OE1 3.27Å; T567-E607 WeakPolarHBondContact CA-OE1 3.28Å; T567-E607 VanDerWaalsContact CB-OE1 3.31Å; T567-E607 WeakPolarHBondContact CB-OE1 3.44Å; T567-E607 HydrophobicContact CG2-CG 4.46Å; R568-E607 VanDerWaalsContact CA-OE2 3.27Å; R568-E607 WeakPolarHBondContact CA-OE2 3.23Å; R568-E607 VanDerWaalsContact CB-OE2 3.23Å; R568-E607 WeakPolarHBondContact CB-OE2 3.44Å; R568-E607 PolarHBondContact N-OE1 2.69Å; R568-E607 PolarHBondContact N-OE2 3.35Å; Y569-E607 HydrophobicContact CD2-CB 4.3Å; Y569-E607 PolarHBondContact N-OE2 3.3Å; L571-E607 HydrophobicContact CD1-CG 4.22Å; L571-E607 HydrophobicContact CD2-CB 4.36Å; L571-E607 HydrophobicContact CD2-CG 4.28Å; T603-E607 WeakPolarHBondContact O-CB 3.43Å; T603-E607 WeakPolarHBondContact O-CG 3.49Å; T603-E607 PolarHBondContact O-N 2.85Å; E607-K611 WeakPolarHBondContact O-CB 3.46Å; E607-K611 PolarHBondContact O-N 3.26Å; E607-K611 VanDerWaalsContact O-N 3.13Å
608N85Confident78.9Confident58 Ų5891.3 Ų91.331%0.3148%0.483SS..Hα-helixtrans-71.2-32176.5-89.6-68.3000113.7E604 K605 F606 K611E604-N608 WeakPolarHBondContact O-CB 3.17Å; E604-N608 PolarHBondContact O-N 3.1Å; E604-N608 VanDerWaalsContact O-N 3.11Å; E604-N608 PolarHBondContact O-ND2 3.48Å; K605-N608 PolarHBondContact O-N 2.85Å; F606-N608 VanDerWaalsContact C-N 3.28Å; F606-N608 PolarHBondContact O-N 3.47Å; N608-K611 VanDerWaalsContact O-CE 3.25Å; N608-K611 WeakPolarHBondContact O-CE 3.25Å; N608-K611 PolarHBondContact OD1-NZ 2.85Å
609L85.4Confident77.3Confident126 Ų12695.9 Ų95.966%0.6651%0.507SS*.Hα-helixtrans-77.4-39.3176.3-72.4170.5000112K605 F606K605-L609 HydrophobicContact CG-CD1 3.95Å; K605-L609 WeakPolarHBondContact O-CB 3.42Å; K605-L609 VanDerWaalsContact O-CG 3.31Å; K605-L609 WeakPolarHBondContact O-CG 3.35Å; K605-L609 PolarHBondContact O-N 2.99Å; F606-L609 PolarHBondContact O-N 3Å; F606-L609 VanDerWaalsContact O-N 3.16Å
610F84.2Confident75.3Confident102 Ų10293.4 Ų93.445%0.44750%0.502SS..SBendtrans-101.520.1-174.7-69.6-84.3000114L571 P572 F606 L612L571-F610 WeakPolarHBondContact CA-O 3.43Å; L571-F610 HydrophobicContact CD2-CB 4.42Å; L571-F610 VanDerWaalsContact CD2-O 3.31Å; L571-F610 WeakPolarHBondContact CD2-O 3.48Å; P572-F610 WeakPolarHBondContact CD-O 3.42Å; F606-F610 AromaticContact CD2-CD2 3.57Å; F606-F610 HydrophobicContact CD2-CD2 3.57Å; F606-F610 AromaticContact CD2-CE2 3.77Å; F606-F610 HydrophobicContact CD2-CE2 3.77Å; F606-F610 AromaticContact CE2-CD2 3.44Å; F606-F610 HydrophobicContact CE2-CD2 3.44Å; F606-F610 VanDerWaalsContact CE2-CD2 3.44Å; F606-F610 AromaticContact CE2-CE2 3.57Å; F606-F610 HydrophobicContact CE2-CE2 3.57Å; F606-F610 HydrophobicContact CE2-CG 4.19Å; F606-F610 HydrophobicContact CE2-CZ 4.41Å; F606-F610 HydrophobicContact CG-CD2 4.21Å; F606-F610 AromaticContact CZ-CD2 3.99Å; F606-F610 HydrophobicContact CZ-CD2 3.99Å; F606-F610 HydrophobicContact CZ-CE2 4.46Å; F606-F610 HydrophobicContact CZ-CG 4.32Å; F606-F610 WeakPolarHBondContact O-CD2 3.49Å; F606-F610 PolarHBondContact O-N 2.94Å; F610-L612 PolarHBondContact O-N 3.2Å
611K86.2Confident73.1Confident62 Ų6296.3 Ų96.327%0.2751%0.505SS..  trans-72.1128.8173.361.2-168.7170.7-172.20112.3Y569 E607 N608 S613 N614Y569-K611 HydrophobicContact CD1-CB 4.45Å; Y569-K611 HydrophobicContact CD1-CD 4.35Å; Y569-K611 HydrophobicContact CD2-CB 4.32Å; Y569-K611 HydrophobicContact CD2-CD 4.25Å; Y569-K611 HydrophobicContact CE2-CD 4.4Å; Y569-K611 HydrophobicContact CG-CB 3.89Å; Y569-K611 HydrophobicContact CG-CD 4.22Å; E607-K611 WeakPolarHBondContact O-CB 3.46Å; E607-K611 PolarHBondContact O-N 3.26Å; E607-K611 VanDerWaalsContact O-N 3.13Å; N608-K611 VanDerWaalsContact O-CE 3.25Å; N608-K611 WeakPolarHBondContact O-CE 3.25Å; N608-K611 PolarHBondContact OD1-NZ 2.85Å; K611-S613 PolarHBondContact O-N 2.99Å; K611-N614 WeakPolarHBondContact CE-OD1 3.35Å; K611-N614 PolarHBondContact NZ-OD1 3.4Å; K611-N614 VanDerWaalsContact NZ-OD1 3.14Å
612L74.3Confident71.1Confident112 Ų112101 Ų10159%0.58652%0.521SS*.SBendtrans-73.7-15.5170.2-63.1175.6000112.9K570 L571 P572 F610K570-L612 HydrophobicContact CG-CD1 4.45Å; K570-L612 VanDerWaalsContact O-CB 3.32Å; K570-L612 WeakPolarHBondContact O-CB 3.44Å; K570-L612 WeakPolarHBondContact O-CG 3.34Å; K570-L612 PolarHBondContact O-N 2.73Å; L571-L612 WeakPolarHBondContact O-CD1 3.35Å; P572-L612 HydrophobicContact CB-CD2 4.48Å; P572-L612 HydrophobicContact CG-CD2 3.8Å; P572-L612 HydrophobicContact CG-CG 4.38Å; F610-L612 PolarHBondContact O-N 3.2Å
613S72.9Confident68.6Low50 Ų50102.3 Ų102.335%0.3554%0.538SS..  trans-159.4148.9-177.6176.80000110.6K611 Q615K611-S613 PolarHBondContact O-N 2.99Å; S613-Q615 PolarHBondContact O-N 3.45Å; S613-Q615 PolarHBondContact OG-N 3.1Å; S613-Q615 VanDerWaalsContact OG-N 3.14Å
614N77.8Confident66.2Low130 Ų130102.3 Ų102.370%0.69555%0.551SS**SBendtrans-72.8-5.8170.9-79.2-31.7000113.6K611 S616K611-N614 WeakPolarHBondContact CE-OD1 3.35Å; K611-N614 PolarHBondContact NZ-OD1 3.4Å; K611-N614 VanDerWaalsContact NZ-OD1 3.14Å; N614-S616 PolarHBondContact O-N 2.82Å
615Q68.8Low63.9Low158 Ų158103.8 Ų103.874%0.73857%0.567SS**SBendtrans-76.7121.5173.6-64.6179.83.800110.2S613S613-Q615 PolarHBondContact O-N 3.45Å; S613-Q615 PolarHBondContact OG-N 3.1Å; S613-Q615 VanDerWaalsContact OG-N 3.14Å
616S60.9Low61.4Low38 Ų38103.9 Ų103.927%0.26657%0.574SS.*BIsolated β-bridgetrans-72.8138.1173.3179.50000111.2R568 N614 N618 N619R568-S616 CarbonylContact O-C 3.57Å; R568-S616 WeakPolarHBondContact O-CA 3.45Å; R568-S616 WeakPolarHBondContact O-CB 3.41Å; R568-S616 PolarHBondContact O-OG 3.32Å; N614-S616 PolarHBondContact O-N 2.82Å; S616-N618 PolarHBondContact O-N 3.04Å; S616-N619 PolarHBondContact O-N 2.92Å
617V61.8Low59.1Low71 Ų71104.8 Ų104.843%0.4358%0.583SS.*THydrogen-bonded Turntrans-60.9-25.2-178.4-176.50000112.1R568 Y569 K570R568-V617 PolarHBondContact O-N 3.45Å; Y569-V617 VanDerWaalsContact C-CG2 3.47Å; K570-V617 HydrophobicContact CB-CG2 4.28Å
618N55.4Low56.6Low108 Ų108111.3 Ų111.358%0.57862%0.618SS**THydrogen-bonded Turntrans-93.5-3.4-176.4-74.7-10.3000115.1S616 S620S616-N618 PolarHBondContact O-N 3.04Å; N618-S620 VanDerWaalsContact C-N 3.31Å; N618-S620 PolarHBondContact O-N 3.05Å
619N43.8Very low54.4Low149 Ų149111.9 Ų111.980%0.79763%0.631SS**  trans-83.91.8-177.9-99.314.4000115.1S616 N621S616-N619 PolarHBondContact O-N 2.92Å; N619-N621 PolarHBondContact O-N 3.24Å
620S40Very low52Low94 Ų94113.9 Ų113.966%0.65764%0.642SS**SBendtrans-96.261.3171.759.40000112.2N618N618-S620 VanDerWaalsContact C-N 3.31Å; N618-S620 PolarHBondContact O-N 3.05Å
621N36.3Very low49.7Very low148 Ų148112.2 Ų112.279%0.79165%0.653SS**SBendtrans178.5109.4146.9-93.7-34.2000113.7N619N619-N621 PolarHBondContact O-N 3.24Å
622K39.2Very low47.5Very low198 Ų198117 Ų11786%0.86168%0.681SS**SBendtrans120.6122.8159.1-69.6165.61801740114.5
623S36.5Very low45.8Very low125 Ų125117.5 Ų117.587%0.87469%0.685SS**  trans42.4113.8145.7-45.40000117.9
624G34.1Very low44.2Very low68 Ų68122.8 Ų122.870%0.70170%0.704SS**  cis135.8165.21900000109.4
625V38Very low42.3Very low127 Ų127126.5 Ų126.577%0.7771%0.714SS**  trans72.4106.7165.5-1720000117
626N35.4Very low40.7Very low135 Ų135126 Ų12672%0.72272%0.716SS**  trans71.1147.7147.5-61.21.9000117.7
627N36.5Very low39.6Very low123 Ų123129.2 Ų129.266%0.65874%0.739SS**  cis-164.8150.49.6-120.3-4.4000111
628L37.3Very low38.5Very low155 Ų155137 Ų13781%0.81276%0.76SS**  trans60.1146.6152.8-81.279.8000119.3
629A36.9Very low37.6Very low70 Ų70140 Ų14058%0.57977%0.774SS**  cis-163.9161.4-8.200000111.4
630N35.5Very low37.4Very low168 Ų168138 Ų13890%0.89877%0.772SS**  trans63122.1158.1-54.9-16000118.7
631G36.8Very low37.2Very low67 Ų67143.1 Ų143.169%0.69178%0.783SS**  cis168.4173.7-6.300000113
632L39.1Very low37.6Very low162 Ų162145.7 Ų145.785%0.84879%0.787SS**  trans66.8128.6163.3-47176.2000116.2
633D39.2Very low38.2Very low124 Ų124142.6 Ų142.666%0.66378%0.784SS**  cis-151.1162.82.9-112.1-40.3000114.8
634Q38.6Very low39.3Very low161 Ų161145.6 Ų145.675%0.75278%0.784SS**  trans-59.8145.2-169.5-57.9141.862.700117.2
635K38.8Very low41.5Very low208 Ų208146.6 Ų146.690%0.90477%0.769SS**  -162.9137.5113.9-121173.1-178.3172.90114.8
636D34.6Very low43.8Very low147 Ų147145.6 Ų145.679%0.78676%0.755SS**  trans-70.5148-178.8-51.3-91.6000114.1
637S38.6Very low46.3Very low106 Ų106141.3 Ų141.374%0.74174%0.735SS**  -179.3131.1106.453.90000114.8
638R38.7Very low48.9Very low235 Ų235137.9 Ų137.989%0.88772%0.717SS**  trans52.4101.7145.7-60.5179.8-170.7172.14.7119S640R638-S640 PolarHBondContact O-N 2.78Å
639I35.1Very low51.4Low169 Ų169131.4 Ų131.487%0.86768%0.683SS**  trans-57.4120.1157.6-64.2160000110.3
640S39.9Very low54Low107 Ų107132.2 Ų132.275%0.74868%0.677SS**  trans-110.6122.6158.2-60.50000107.6R638 K642R638-S640 PolarHBondContact O-N 2.78Å; S640-K642 PolarHBondContact O-N 3.12Å
641K37.1Very low56.5Low203 Ų203129.5 Ų129.588%0.88367%0.668SS**  trans-64.1101171.8-74.6178.7174.91790108.7V643K641-V643 PolarHBondContact O-N 2.83Å
642K44.2Very low59.1Low202 Ų202131.2 Ų131.288%0.87866%0.662SS**  trans-68.9126.1167.1-125-179.6-179.8-174.80107.1S640 E644S640-K642 PolarHBondContact O-N 3.12Å; K642-E644 PolarHBondContact O-N 2.87Å
643V52.3Low61.7Low133 Ų133125.2 Ų125.281%0.80663%0.628SS**  trans-63.9125.7171.4178.60000107.3K641 K645K641-V643 PolarHBondContact O-N 2.83Å; V643-K645 PolarHBondContact O-N 3.47Å
644E58Low64.3Low187 Ų187121.5 Ų121.587%0.87461%0.607SS**  trans-69.1111.8175.3-70.5-179.5145.300108.7K642K642-E644 PolarHBondContact O-N 2.87Å
645K81.9Confident66.8Low89 Ų89121.7 Ų121.739%0.38760%0.6SS.*PPolyproline II helixtrans-63.8139.2170.1-70.4-179.3170.3-172.50109V643 D717 L718 T719 D720V643-K645 PolarHBondContact O-N 3.47Å; K645-D717 CarbonylContact C-O 3.59Å; K645-D717 WeakPolarHBondContact CA-O 3.41Å; K645-L718 WeakPolarHBondContact CD-O 3.25Å; K645-T719 HydrophobicContact CB-CG2 4.12Å; K645-D720 IonicContact NZ-OD1 3.15Å; K645-D720 PolarHBondContact NZ-OD1 3.2Å; K645-D720 IonicContact NZ-OD2 4Å; K645-D720 PolarHBondContact NZ-OD2 3.33Å
646K85.1Confident69.5Low107 Ų107114.1 Ų114.147%0.46557%0.573SS.*BIsolated β-bridgetrans-82.1138.2178.3-172.3-178.5-179-175.10110.3L648 D717 L718 T719K646-L648 HydrophobicContact CD-CD2 4.45Å; K646-D717 PolarHBondContact N-O 3.34Å; K646-L718 WeakPolarHBondContact O-CA 3.4Å; K646-T719 PolarHBondContact O-N 3.12Å; K646-T719 VanDerWaalsContact O-N 3.17Å
647S89Confident72.4Confident45 Ų45107.1 Ų107.132%0.31554%0.535SS..PPolyproline II helixtrans-103.4143.5164.91780000110.4M649 D722S647-M649 WeakPolarHBondContact OG-CG 3.48Å; S647-M649 PolarHBondContact OG-N 3.29Å; S647-M649 PolarHBondContact OG-O 3.28Å; S647-M649 VanDerWaalsContact OG-O 3.07Å; S647-D722 VanDerWaalsContact CA-OD2 3.31Å; S647-D722 WeakPolarHBondContact CA-OD2 3.4Å; S647-D722 WeakPolarHBondContact CB-OD2 3.5Å; S647-D722 PolarHBondContact OG-OD2 3.33Å
648L89.9Confident75.2Confident51 Ų51102.3 Ų102.327%0.26750%0.503SS..  trans-100.4-17.4171.6-57.9179000112.2K646 Y704 Y707 L718 D722K646-L648 HydrophobicContact CD-CD2 4.45Å; L648-Y704 HydrophobicContact CB-CE1 4.04Å; L648-Y704 HydrophobicContact CD1-CD1 4.01Å; L648-Y704 HydrophobicContact CD1-CE1 3.82Å; L648-Y704 HydrophobicContact CG-CE1 4.37Å; L648-Y707 HydrophobicContact CD1-CD2 3.63Å; L648-Y707 HydrophobicContact CD1-CE2 4.12Å; L648-Y707 HydrophobicContact CD1-CG 3.86Å; L648-Y707 HydrophobicContact CD2-CD2 4.17Å; L648-Y707 HydrophobicContact CD2-CE2 4.19Å; L648-L718 HydrophobicContact CD1-CD1 4.45Å; L648-L718 HydrophobicContact CD1-CD2 3.87Å; L648-L718 HydrophobicContact CD2-CD2 4.39Å; L648-L718 HydrophobicContact CG-CD2 3.76Å; L648-D722 WeakPolarHBondContact CB-OD1 3.41Å; L648-D722 PolarHBondContact N-OD1 2.98Å
649M90.5Very high77.9Confident19 Ų1995.8 Ų95.89%0.09449%0.489CS..SBendtrans-93.6154.8178.344.817569.700112.5S647 R653 H654 I657 Y704 E721 L725S647-M649 WeakPolarHBondContact OG-CG 3.48Å; S647-M649 PolarHBondContact OG-N 3.29Å; S647-M649 PolarHBondContact OG-O 3.28Å; S647-M649 VanDerWaalsContact OG-O 3.07Å; M649-R653 HydrophobicContact CB-CB 4.32Å; M649-R653 HydrophobicContact CB-CG 4.21Å; M649-R653 HydrophobicContact SD-CG 4.49Å; M649-H654 HydrophobicContact CG-CB 4Å; M649-H654 WeakPolarHBondContact SD-CA 3.4Å; M649-H654 HydrophobicContact SD-CB 3.93Å; M649-I657 HydrophobicContact CE-CB 4.44Å; M649-I657 HydrophobicContact CE-CG1 4.05Å; M649-I657 HydrophobicContact SD-CB 4.33Å; M649-I657 HydrophobicContact SD-CG1 4.27Å; M649-Y704 WeakPolarHBondContact CB-OH 3.38Å; M649-Y704 HydrophobicContact CE-CE2 4.45Å; M649-Y704 WeakPolarHBondContact CE-OH 3.22Å; M649-Y704 WeakPolarHBondContact CG-OH 3.46Å; M649-Y704 PolarHBondContact N-OH 3.47Å; M649-E721 HydrophobicContact SD-CB 4.48Å; M649-L725 HydrophobicContact CE-CB 3.65Å; M649-L725 HydrophobicContact CE-CD2 3.33Å; M649-L725 HydrophobicContact CE-CG 4.1Å
650D90.3Very high80.8Confident87 Ų8788.1 Ų88.147%0.46545%0.45SS..  trans-68.4159.8176.17783.9000111.9N652 R653 H654D650-N652 VanDerWaalsContact C-N 3.27Å; D650-N652 PolarHBondContact O-N 3.42Å; D650-N652 WeakPolarHBondContact OD1-CA 3.36Å; D650-N652 WeakPolarHBondContact OD1-CB 3.48Å; D650-N652 PolarHBondContact OD1-N 2.89Å; D650-R653 PolarHBondContact O-N 2.93Å; D650-R653 PolarHBondContact OD1-N 3.26Å; D650-R653 WeakPolarHBondContact OD2-CB 3.38Å; D650-H654 WeakPolarHBondContact O-CB 3.2Å; D650-H654 PolarHBondContact O-N 3.24Å
651P89.6Confident83.5Confident110 Ų11084.4 Ų84.471%0.71442%0.421SS*.Hα-helixtrans-60.3-28-175.3-26.235.9000115.6R655P651-R655 WeakPolarHBondContact O-CB 3.06Å; P651-R655 PolarHBondContact O-N 3.46Å
652N90.5Very high86.3Confident103 Ų10383 Ų8355%0.55141%0.411SS*.Hα-helixtrans-77.1-44.8177.1-75.2-41.9000110.7D650 R655 C656D650-N652 VanDerWaalsContact C-N 3.27Å; D650-N652 PolarHBondContact O-N 3.42Å; D650-N652 WeakPolarHBondContact OD1-CA 3.36Å; D650-N652 WeakPolarHBondContact OD1-CB 3.48Å; D650-N652 PolarHBondContact OD1-N 2.89Å; N652-R655 PolarHBondContact O-N 3.11Å; N652-C656 PolarHBondContact O-N 3.21Å; N652-C656 PolarHBondContact O-SG 2.83Å
653R93.7Very high88.8Confident37 Ų3775.7 Ų75.714%0.1438%0.378CS..Hα-helixtrans-64.2-42.1175.9-174.557.9154.6171.2-9.1111.7M649 D650 R655 C656 I657 Q694 L695 E700M649-R653 HydrophobicContact CB-CB 4.32Å; M649-R653 HydrophobicContact CB-CG 4.21Å; M649-R653 HydrophobicContact SD-CG 4.49Å; D650-R653 PolarHBondContact O-N 2.93Å; D650-R653 PolarHBondContact OD1-N 3.26Å; D650-R653 WeakPolarHBondContact OD2-CB 3.38Å; R653-R655 VanDerWaalsContact C-N 3.35Å; R653-R655 PolarHBondContact O-N 3.09Å; R653-C656 PolarHBondContact O-N 2.92Å; R653-C656 VanDerWaalsContact O-N 3.11Å; R653-I657 WeakPolarHBondContact O-CG1 3.5Å; R653-I657 PolarHBondContact O-N 3.03Å; R653-Q694 PolarHBondContact NH1-O 3.45Å; R653-L695 PolarHBondContact NH2-O 2.88Å; R653-E700 WeakPolarHBondContact CG-OE1 3.45Å; R653-E700 IonicContact CZ-OE1 2.68Å; R653-E700 IonicContact CZ-OE2 3.68Å; R653-E700 IonicContact NE-OE1 3.5Å; R653-E700 PolarHBondContact NE-OE1 3.16Å; R653-E700 IonicContact NE-OE2 3.38Å; R653-E700 IonicContact NH2-OE1 3.5Å; R653-E700 PolarHBondContact NH2-OE1 3.44Å; R653-E700 IonicContact NH2-OE2 2.71Å; R653-E700 PolarHBondContact NH2-OE2 3.29Å
654H93.8Very high90.9Very high46 Ų4669.6 Ų69.621%0.21334%0.34CS..Hα-helixtrans-53.6-49.3171.4-173.3-86.1000112M649 D650 C656 I657 G658 T719 E721 D722M649-H654 HydrophobicContact CG-CB 4Å; M649-H654 WeakPolarHBondContact SD-CA 3.4Å; M649-H654 HydrophobicContact SD-CB 3.93Å; D650-H654 WeakPolarHBondContact O-CB 3.2Å; D650-H654 PolarHBondContact O-N 3.24Å; H654-C656 PolarHBondContact O-N 3.5Å; H654-I657 PolarHBondContact O-N 3.44Å; H654-G658 PolarHBondContact O-N 3.12Å; H654-T719 PolarHBondContact NE2-OG1 3.03Å; H654-E721 IonicContact CE1-OE1 2.7Å; H654-E721 PolarHBondContact CE1-OE1 3.27Å; H654-E721 IonicContact CE1-OE2 2.73Å; H654-E721 PolarHBondContact CE1-OE2 3.26Å; H654-E721 IonicContact NE2-OE1 2.75Å; H654-E721 IonicContact NE2-OE2 2.66Å; H654-E721 PolarHBondContact NE2-OE2 2.79Å; H654-D722 IonicContact CD2-OD2 3.82Å
655R92.1Very high92.6Very high164 Ų16466.2 Ų66.262%0.61933%0.325SS*.Hα-helixtrans-60.5-41.9175-174.4-178.664.3157.8-0.5112.9P651 N652 R653 G658 V659P651-R655 WeakPolarHBondContact O-CB 3.06Å; P651-R655 PolarHBondContact O-N 3.46Å; N652-R655 PolarHBondContact O-N 3.11Å; R653-R655 VanDerWaalsContact C-N 3.35Å; R653-R655 PolarHBondContact O-N 3.09Å; R655-G658 PolarHBondContact O-N 3.14Å; R655-V659 WeakPolarHBondContact O-CG2 3.5Å; R655-V659 PolarHBondContact O-N 3.13Å
656C94.7Very high93.2Very high49 Ų4965.5 Ų65.533%0.33133%0.331SS..Hα-helixtrans-64.6-45178.8-68.70000112.2N652 R653 H654 G658 V659 L660N652-C656 PolarHBondContact O-N 3.21Å; N652-C656 PolarHBondContact O-SG 2.83Å; R653-C656 PolarHBondContact O-N 2.92Å; R653-C656 VanDerWaalsContact O-N 3.11Å; H654-C656 PolarHBondContact O-N 3.5Å; C656-G658 VanDerWaalsContact C-N 3.34Å; C656-V659 PolarHBondContact O-N 2.86Å; C656-L660 PolarHBondContact O-N 3.48Å; C656-L660 VanDerWaalsContact O-N 3.16Å
657I96.3Very high93.7Very high0 Ų064.4 Ų64.40%033%0.328CS..Hα-helixtrans-68.6-33.8175.9-59-55.3000111.2M649 R653 H654 V659 L660 L661 Q694 E721 L724 L725M649-I657 HydrophobicContact CE-CB 4.44Å; M649-I657 HydrophobicContact CE-CG1 4.05Å; M649-I657 HydrophobicContact SD-CB 4.33Å; M649-I657 HydrophobicContact SD-CG1 4.27Å; R653-I657 WeakPolarHBondContact O-CG1 3.5Å; R653-I657 PolarHBondContact O-N 3.03Å; H654-I657 PolarHBondContact O-N 3.44Å; I657-V659 VanDerWaalsContact C-N 3.32Å; I657-V659 PolarHBondContact O-N 3.22Å; I657-L660 PolarHBondContact O-N 3.48Å; I657-L661 WeakPolarHBondContact O-CB 3.45Å; I657-L661 PolarHBondContact O-N 3.11Å; I657-Q694 HydrophobicContact CD1-CB 3.98Å; I657-Q694 HydrophobicContact CD1-CG 4.46Å; I657-E721 HydrophobicContact CB-CB 4.34Å; I657-E721 HydrophobicContact CG2-CB 4.01Å; I657-E721 WeakPolarHBondContact CG2-O 3.35Å; I657-L724 HydrophobicContact CG2-CB 4.38Å; I657-L724 HydrophobicContact CG2-CD2 4.01Å; I657-L724 HydrophobicContact CG2-CG 4.4Å; I657-L725 HydrophobicContact CD1-CD1 4.02Å; I657-L725 HydrophobicContact CG1-CD1 4.49Å
658G95.5Very high93.9Very high6 Ų670.3 Ų70.36%0.06235%0.348CS..Hα-helixtrans-64.2-31171.900000114.2H654 R655 C656 R662H654-G658 PolarHBondContact O-N 3.12Å; R655-G658 PolarHBondContact O-N 3.14Å; C656-G658 VanDerWaalsContact C-N 3.34Å; G658-R662 WeakPolarHBondContact O-CD 3.43Å; G658-R662 VanDerWaalsContact O-CG 3.26Å; G658-R662 WeakPolarHBondContact O-CG 3.25Å; G658-R662 PolarHBondContact O-N 3.24Å
659V95.5Very high94.1Very high98 Ų9869.4 Ų69.459%0.59434%0.341SS*.Hα-helixtrans-69.9-42.5170.5171.50000110.9R655 C656 I657 Y663R655-V659 WeakPolarHBondContact O-CG2 3.5Å; R655-V659 PolarHBondContact O-N 3.13Å; C656-V659 PolarHBondContact O-N 2.86Å; I657-V659 VanDerWaalsContact C-N 3.32Å; I657-V659 PolarHBondContact O-N 3.22Å; V659-Y663 PolarHBondContact O-N 3.1Å
660L96.6Very high94.3Very high7 Ų771.9 Ų71.94%0.03736%0.357CS..Hα-helixtrans-63.2-45.6175.417763.4000112C656 I657 R662 Y663 L664 R690 I691 Q694 L724 L728C656-L660 PolarHBondContact O-N 3.48Å; C656-L660 VanDerWaalsContact O-N 3.16Å; I657-L660 PolarHBondContact O-N 3.48Å; L660-R662 PolarHBondContact O-N 2.93Å; L660-Y663 WeakPolarHBondContact O-CB 3.21Å; L660-Y663 PolarHBondContact O-N 2.88Å; L660-Y663 VanDerWaalsContact O-N 3.14Å; L660-L664 HydrophobicContact CD1-CD1 4.16Å; L660-L664 HydrophobicContact CD1-CG 4.2Å; L660-L664 HydrophobicContact CG-CD1 3.91Å; L660-L664 HydrophobicContact CG-CG 4.39Å; L660-L664 WeakPolarHBondContact O-CG 3.05Å; L660-L664 PolarHBondContact O-N 2.9Å; L660-R690 HydrophobicContact CD1-CB 3.95Å; L660-I691 HydrophobicContact CD1-CG1 4Å; L660-I691 HydrophobicContact CD2-CG1 4.27Å; L660-Q694 HydrophobicContact CD2-CB 3.89Å; L660-Q694 HydrophobicContact CD2-CG 4.27Å; L660-L724 HydrophobicContact CD2-CD2 4.35Å; L660-L724 HydrophobicContact CG-CD2 4.3Å; L660-L728 HydrophobicContact CD2-CD1 4.43Å
661L96.8Very high94.4Very high29 Ų2971 Ų7115%0.15236%0.356CS..Hα-helixtrans-56.7-49.2179.4177.758.7000111.3I657 Y663 L664 E665 D720 E721 L724I657-L661 WeakPolarHBondContact O-CB 3.45Å; I657-L661 PolarHBondContact O-N 3.11Å; L661-Y663 VanDerWaalsContact C-N 3.27Å; L661-Y663 PolarHBondContact O-N 3.46Å; L661-L664 PolarHBondContact O-N 3.33Å; L661-L664 VanDerWaalsContact O-N 3.15Å; L661-E665 HydrophobicContact CD1-CG 4.41Å; L661-E665 WeakPolarHBondContact O-CG 3.46Å; L661-E665 PolarHBondContact O-N 2.91Å; L661-D720 HydrophobicContact CD2-CB 4.03Å; L661-E721 HydrophobicContact CD2-CG 4.28Å; L661-L724 HydrophobicContact CB-CD2 3.76Å; L661-L724 HydrophobicContact CD1-CB 4.45Å; L661-L724 HydrophobicContact CD1-CD2 4.04Å; L661-L724 HydrophobicContact CG-CD2 4.46Å
662R96.2Very high94.6Very high175 Ų17571.5 Ų71.566%0.6635%0.349SS*.Hα-helixtrans-62-33.7177.8-69.3170.4-169.8-168.33.8113.1G658 L660 S666G658-R662 WeakPolarHBondContact O-CD 3.43Å; G658-R662 VanDerWaalsContact O-CG 3.26Å; G658-R662 WeakPolarHBondContact O-CG 3.25Å; G658-R662 PolarHBondContact O-N 3.24Å; L660-R662 PolarHBondContact O-N 2.93Å; R662-S666 PolarHBondContact O-N 3.46Å; R662-S666 PolarHBondContact O-OG 3.45Å
663Y96.3Very high94.9Very high48 Ų4871 Ų7119%0.18834%0.339CS..Hα-helixtrans-70.2-41.9174.9-177.8-96.8000111.8V659 L660 L661 E665 S666 E667 D686 V687 R690V659-Y663 PolarHBondContact O-N 3.1Å; L660-Y663 WeakPolarHBondContact O-CB 3.21Å; L660-Y663 PolarHBondContact O-N 2.88Å; L660-Y663 VanDerWaalsContact O-N 3.14Å; L661-Y663 VanDerWaalsContact C-N 3.27Å; L661-Y663 PolarHBondContact O-N 3.46Å; Y663-E665 VanDerWaalsContact C-N 3.32Å; Y663-E665 PolarHBondContact O-N 3.14Å; Y663-S666 WeakPolarHBondContact CA-OG 3.49Å; Y663-S666 PolarHBondContact O-N 2.85Å; Y663-S666 PolarHBondContact O-OG 3.44Å; Y663-E667 HydrophobicContact CD1-CG 4.34Å; Y663-E667 HydrophobicContact CE1-CG 3.86Å; Y663-E667 HydrophobicContact CE2-CG 4.34Å; Y663-E667 WeakPolarHBondContact O-CG 3.39Å; Y663-E667 PolarHBondContact O-N 2.99Å; Y663-D686 WeakPolarHBondContact OH-CB 3.42Å; Y663-V687 HydrophobicContact CE1-CG2 4.11Å; Y663-R690 VanDerWaalsContact CZ-NE 3.3Å
664L96.5Very high95Very high4 Ų469.5 Ų69.52%0.02133%0.334CS..Hα-helixtrans-63.3-38.8174.1-68.1169.3000111.7L660 L661 E667 K668 Y669 L674 V687 I691 L724L660-L664 HydrophobicContact CD1-CD1 4.16Å; L660-L664 HydrophobicContact CD1-CG 4.2Å; L660-L664 HydrophobicContact CG-CD1 3.91Å; L660-L664 HydrophobicContact CG-CG 4.39Å; L660-L664 WeakPolarHBondContact O-CG 3.05Å; L660-L664 PolarHBondContact O-N 2.9Å; L661-L664 PolarHBondContact O-N 3.33Å; L661-L664 VanDerWaalsContact O-N 3.15Å; L664-E667 CarbonylContact O-C 3.55Å; L664-E667 PolarHBondContact O-N 3.2Å; L664-K668 PolarHBondContact O-N 2.7Å; L664-K668 VanDerWaalsContact O-N 3.11Å; L664-Y669 HydrophobicContact CD2-CD2 4.27Å; L664-Y669 HydrophobicContact CD2-CG 4.35Å; L664-Y669 PolarHBondContact O-N 2.96Å; L664-L674 HydrophobicContact CD1-CD2 4Å; L664-L674 HydrophobicContact CD2-CD1 4.2Å; L664-V687 HydrophobicContact CD2-CG1 3.54Å; L664-I691 HydrophobicContact CD2-CD1 4.19Å; L664-L724 HydrophobicContact CD1-CD1 3.92Å; L664-L724 HydrophobicContact CD1-CD2 3.86Å
665E94.9Very high95.1Very high117 Ų11771.4 Ų71.455%0.54734%0.339SS..Hα-helixtrans-62.5-43.6172.5-72.1173165.100112.1L661 Y663 E667 K668L661-E665 HydrophobicContact CD1-CG 4.41Å; L661-E665 WeakPolarHBondContact O-CG 3.46Å; L661-E665 PolarHBondContact O-N 2.91Å; Y663-E665 VanDerWaalsContact C-N 3.32Å; Y663-E665 PolarHBondContact O-N 3.14Å; E665-E667 VanDerWaalsContact C-N 3.33Å; E665-E667 PolarHBondContact O-N 3.22Å; E665-K668 WeakPolarHBondContact O-CA 3.4Å; E665-K668 PolarHBondContact O-N 3.4Å
666S93.6Very high95.2Very high74 Ų7467.3 Ų67.352%0.51733%0.33SS..Hα-helixtrans-65.2-35.8176.156.20000112.9R662 Y663 K668R662-S666 PolarHBondContact O-N 3.46Å; R662-S666 PolarHBondContact O-OG 3.45Å; Y663-S666 WeakPolarHBondContact CA-OG 3.49Å; Y663-S666 PolarHBondContact O-N 2.85Å; Y663-S666 PolarHBondContact O-OG 3.44Å; S666-K668 PolarHBondContact O-N 3.28Å
667E94.8Very high95.3Very high84 Ų8466.2 Ų66.239%0.39332%0.321SS..THydrogen-bonded Turntrans-79.76.8173-64.3-53.6132.200113.6Y663 L664 E665 Y669 R673 V687Y663-E667 HydrophobicContact CD1-CG 4.34Å; Y663-E667 HydrophobicContact CE1-CG 3.86Å; Y663-E667 HydrophobicContact CE2-CG 4.34Å; Y663-E667 WeakPolarHBondContact O-CG 3.39Å; Y663-E667 PolarHBondContact O-N 2.99Å; L664-E667 CarbonylContact O-C 3.55Å; L664-E667 PolarHBondContact O-N 3.2Å; E665-E667 VanDerWaalsContact C-N 3.33Å; E665-E667 PolarHBondContact O-N 3.22Å; E667-Y669 VanDerWaalsContact C-N 3.33Å; E667-Y669 HydrophobicContact CB-CD2 3.68Å; E667-Y669 HydrophobicContact CB-CE2 3.8Å; E667-Y669 WeakPolarHBondContact O-CD2 3.36Å; E667-Y669 PolarHBondContact O-N 3.49Å; E667-R673 PolarHBondContact O-NH1 3.45Å; E667-V687 HydrophobicContact CG-CG2 4.26Å
668K93.5Very high95.2Very high169 Ų16966.2 Ų66.274%0.73532%0.321SS*.THydrogen-bonded Turntrans58.539.3175.5-53.3172.7-173.7168.90113.3L664 E665 S666 R673L664-K668 PolarHBondContact O-N 2.7Å; L664-K668 VanDerWaalsContact O-N 3.11Å; E665-K668 WeakPolarHBondContact O-CA 3.4Å; E665-K668 PolarHBondContact O-N 3.4Å; S666-K668 PolarHBondContact O-N 3.28Å; K668-R673 PolarHBondContact O-NH1 3.48Å
669Y95.5Very high95.1Very high31 Ų3168 Ų6812%0.12233%0.329CS..  trans-85.7117.4170.4-78.1-87.7000110.7L664 E667 R673 L674 D677 L683 V687L664-Y669 HydrophobicContact CD2-CD2 4.27Å; L664-Y669 HydrophobicContact CD2-CG 4.35Å; L664-Y669 PolarHBondContact O-N 2.96Å; E667-Y669 VanDerWaalsContact C-N 3.33Å; E667-Y669 HydrophobicContact CB-CD2 3.68Å; E667-Y669 HydrophobicContact CB-CE2 3.8Å; E667-Y669 WeakPolarHBondContact O-CD2 3.36Å; E667-Y669 PolarHBondContact O-N 3.49Å; Y669-R673 HydrophobicContact CD1-CG 4Å; Y669-R673 HydrophobicContact CE1-CG 4.22Å; Y669-R673 PolarHBondContact OH-NH2 3.06Å; Y669-L674 HydrophobicContact CD1-CB 4.06Å; Y669-L674 HydrophobicContact CD1-CD1 3.95Å; Y669-L674 HydrophobicContact CE1-CD1 4.39Å; Y669-L674 HydrophobicContact CG-CD1 4.45Å; Y669-D677 HydrophobicContact CE1-CB 4.26Å; Y669-D677 VanDerWaalsContact CE1-OD2 3.24Å; Y669-D677 WeakPolarHBondContact CE1-OD2 3.41Å; Y669-L683 HydrophobicContact CD1-CD1 4.42Å; Y669-L683 HydrophobicContact CE1-CD1 3.51Å; Y669-V687 HydrophobicContact CD2-CG1 4.41Å; Y669-V687 HydrophobicContact CE2-CG1 4.01Å; Y669-V687 HydrophobicContact CE2-CG2 3.98Å
670T94.1Very high95Very high71 Ų7170 Ų7044%0.43633%0.325SS..  trans-82.4161.5158.281.20000109.2E672 R673 L674T670-E672 VanDerWaalsContact CB-OE2 3.27Å; T670-E672 WeakPolarHBondContact CB-OE2 3.36Å; T670-E672 PolarHBondContact O-N 3.25Å; T670-E672 PolarHBondContact OG1-N 3.04Å; T670-E672 PolarHBondContact OG1-OE2 2.83Å; T670-R673 PolarHBondContact O-N 3.32Å; T670-R673 PolarHBondContact OG1-N 2.83Å; T670-L674 WeakPolarHBondContact O-CB 3.43Å; T670-L674 PolarHBondContact O-N 3.32Å
671P92Very high95Very high69 Ų6969.7 Ų69.745%0.44832%0.324SS..Hα-helixtrans-55-39.4175.4-26.136000112.9L674 W675 H727P671-L674 PolarHBondContact O-N 3.48Å; P671-W675 VanDerWaalsContact O-CB 3.29Å; P671-W675 WeakPolarHBondContact O-CB 3.35Å; P671-W675 PolarHBondContact O-N 3.39Å; P671-H727 PolarHBondContact O-CE1 2.85Å; P671-H727 VanDerWaalsContact O-CE1 3.28Å; P671-H727 PolarHBondContact O-NE2 3.46Å; P671-H727 VanDerWaalsContact O-NE2 3.13Å
672E94.3Very high94.9Very high120 Ų12073 Ų7356%0.56134%0.338SS*.Hα-helixtrans-69-40.5179.8-5370-151.500111.6T670 N676T670-E672 VanDerWaalsContact CB-OE2 3.27Å; T670-E672 WeakPolarHBondContact CB-OE2 3.36Å; T670-E672 PolarHBondContact O-N 3.25Å; T670-E672 PolarHBondContact OG1-N 3.04Å; T670-E672 PolarHBondContact OG1-OE2 2.83Å; E672-N676 WeakPolarHBondContact O-CB 3.18Å; E672-N676 VanDerWaalsContact O-CG 3.24Å; E672-N676 PolarHBondContact O-N 2.84Å; E672-N676 PolarHBondContact O-ND2 2.96Å
673R95.7Very high94.8Very high94 Ų9464.6 Ų64.636%0.35531%0.307SS..Hα-helixtrans-64.3-48.6174-178.4179.6167.8-147.6-5.8110.5E667 K668 Y669 T670 W675 N676 D677E667-R673 PolarHBondContact O-NH1 3.45Å; K668-R673 PolarHBondContact O-NH1 3.48Å; Y669-R673 HydrophobicContact CD1-CG 4Å; Y669-R673 HydrophobicContact CE1-CG 4.22Å; Y669-R673 PolarHBondContact OH-NH2 3.06Å; T670-R673 PolarHBondContact O-N 3.32Å; T670-R673 PolarHBondContact OG1-N 2.83Å; R673-W675 VanDerWaalsContact C-N 3.33Å; R673-W675 PolarHBondContact O-N 3.37Å; R673-N676 PolarHBondContact O-N 3.45Å; R673-N676 VanDerWaalsContact O-N 3.15Å; R673-D677 IonicContact NE-OD2 2.66Å; R673-D677 PolarHBondContact NE-OD2 3.41Å; R673-D677 IonicContact NH2-OD2 3.57Å; R673-D677 WeakPolarHBondContact O-CB 3.31Å; R673-D677 VanDerWaalsContact O-CG 3.27Å; R673-D677 PolarHBondContact O-N 3.35Å
674L96.5Very high94.7Very high4 Ų463.9 Ų63.92%0.02131%0.314CS..Hα-helixtrans-58.7-45179.2-175.861.4000111.8L664 Y669 T670 P671 N676 I678 L683 I691 L724 L728L664-L674 HydrophobicContact CD1-CD2 4Å; L664-L674 HydrophobicContact CD2-CD1 4.2Å; Y669-L674 HydrophobicContact CD1-CB 4.06Å; Y669-L674 HydrophobicContact CD1-CD1 3.95Å; Y669-L674 HydrophobicContact CE1-CD1 4.39Å; Y669-L674 HydrophobicContact CG-CD1 4.45Å; T670-L674 WeakPolarHBondContact O-CB 3.43Å; T670-L674 PolarHBondContact O-N 3.32Å; P671-L674 PolarHBondContact O-N 3.48Å; L674-N676 PolarHBondContact O-N 2.87Å; L674-I678 HydrophobicContact CD1-CD1 3.81Å; L674-I678 HydrophobicContact CD1-CG1 4.26Å; L674-I678 HydrophobicContact CG-CD1 3.85Å; L674-I678 WeakPolarHBondContact O-CB 3.47Å; L674-I678 WeakPolarHBondContact O-CD1 3.49Å; L674-I678 VanDerWaalsContact O-CG1 3.24Å; L674-I678 WeakPolarHBondContact O-CG1 3.43Å; L674-I678 PolarHBondContact O-N 3.14Å; L674-L683 HydrophobicContact CD1-CD1 3.99Å; L674-I691 HydrophobicContact CD1-CD1 3.76Å; L674-L724 HydrophobicContact CD2-CD1 4.09Å; L674-L728 HydrophobicContact CD2-CD2 4.4Å
675W95.6Very high94.6Very high87 Ų8767.1 Ų67.133%0.3333%0.329SS..Hα-helixtrans-56.8-49.2173.7-177.4-90.5000112P671 R673 N679 H727 K730 V731P671-W675 VanDerWaalsContact O-CB 3.29Å; P671-W675 WeakPolarHBondContact O-CB 3.35Å; P671-W675 PolarHBondContact O-N 3.39Å; R673-W675 VanDerWaalsContact C-N 3.33Å; R673-W675 PolarHBondContact O-N 3.37Å; W675-N679 VanDerWaalsContact CE2-ND2 3.34Å; W675-N679 PolarHBondContact NE1-ND2 3.32Å; W675-N679 WeakPolarHBondContact O-CB 3.26Å; W675-N679 PolarHBondContact O-N 3.12Å; W675-N679 PolarHBondContact O-ND2 3Å; W675-H727 AromaticContact CE3-CE1 3.88Å; W675-H727 AromaticContact CE3-NE2 3.75Å; W675-K730 HydrophobicContact CH2-CB 4.06Å; W675-K730 WeakPolarHBondContact CH2-O 3.39Å; W675-K730 HydrophobicContact CZ3-CB 3.7Å; W675-V731 HydrophobicContact CE3-CG2 3.7Å; W675-V731 HydrophobicContact CH2-CG2 4.44Å; W675-V731 HydrophobicContact CZ3-CB 4.37Å; W675-V731 HydrophobicContact CZ3-CG2 3.57Å
676N94.7Very high94.6Very high78 Ų7866.5 Ų66.542%0.41733%0.329SS..Hα-helixtrans-65.9-47.2-178.4-74.5-40.5000111.9E672 R673 L674 I678 N679 R680E672-N676 WeakPolarHBondContact O-CB 3.18Å; E672-N676 VanDerWaalsContact O-CG 3.24Å; E672-N676 PolarHBondContact O-N 2.84Å; E672-N676 PolarHBondContact O-ND2 2.96Å; R673-N676 PolarHBondContact O-N 3.45Å; R673-N676 VanDerWaalsContact O-N 3.15Å; L674-N676 PolarHBondContact O-N 2.87Å; N676-I678 VanDerWaalsContact C-N 3.34Å; N676-I678 PolarHBondContact O-N 2.91Å; N676-N679 PolarHBondContact O-N 3.14Å; N676-R680 WeakPolarHBondContact O-CB 3.35Å; N676-R680 VanDerWaalsContact O-CG 3.3Å; N676-R680 WeakPolarHBondContact O-CG 3.45Å; N676-R680 PolarHBondContact O-N 3.23Å
677D95.9Very high94.7Very high26 Ų2663.3 Ų63.314%0.13931%0.307CS..Hα-helixtrans-65.6-36.7-177.5-64.210.3000110.6Y669 R673 L681 E682 L683Y669-D677 HydrophobicContact CE1-CB 4.26Å; Y669-D677 VanDerWaalsContact CE1-OD2 3.24Å; Y669-D677 WeakPolarHBondContact CE1-OD2 3.41Å; R673-D677 IonicContact NE-OD2 2.66Å; R673-D677 PolarHBondContact NE-OD2 3.41Å; R673-D677 IonicContact NH2-OD2 3.57Å; R673-D677 WeakPolarHBondContact O-CB 3.31Å; R673-D677 VanDerWaalsContact O-CG 3.27Å; R673-D677 PolarHBondContact O-N 3.35Å; D677-L681 CarbonylContact O-C 3.54Å; D677-L681 PolarHBondContact O-N 3.16Å; D677-L681 VanDerWaalsContact O-N 3.11Å; D677-E682 PolarHBondContact O-N 3.34Å; D677-L683 HydrophobicContact CB-CD1 4.02Å
678I95.7Very high94.8Very high0 Ų059.3 Ų59.30%029%0.288CS..Hα-helixtrans-69-43.4172-64.4166.2000111.8L674 N676 R680 L681 L683 I691 L728 V731 L734L674-I678 HydrophobicContact CD1-CD1 3.81Å; L674-I678 HydrophobicContact CD1-CG1 4.26Å; L674-I678 HydrophobicContact CG-CD1 3.85Å; L674-I678 WeakPolarHBondContact O-CB 3.47Å; L674-I678 WeakPolarHBondContact O-CD1 3.49Å; L674-I678 VanDerWaalsContact O-CG1 3.24Å; L674-I678 WeakPolarHBondContact O-CG1 3.43Å; L674-I678 PolarHBondContact O-N 3.14Å; N676-I678 VanDerWaalsContact C-N 3.34Å; N676-I678 PolarHBondContact O-N 2.91Å; I678-R680 VanDerWaalsContact C-N 3.35Å; I678-R680 PolarHBondContact O-N 3.08Å; I678-L681 PolarHBondContact O-N 2.84Å; I678-L683 HydrophobicContact CG1-CD2 4.01Å; I678-I691 HydrophobicContact CD1-CD1 4.46Å; I678-L728 HydrophobicContact CD1-CD2 4.27Å; I678-V731 HydrophobicContact CG2-CG1 3.82Å; I678-L734 HydrophobicContact CD1-CD1 4.2Å; I678-L734 HydrophobicContact CG2-CD1 4.02Å
679N92.3Very high94.9Very high43 Ų4354.2 Ų54.223%0.2327%0.269CS..Hα-helixtrans-69.8-30.4-179.6-82.1-82.2000113W675 N676 L681 R737 P882W675-N679 VanDerWaalsContact CE2-ND2 3.34Å; W675-N679 PolarHBondContact NE1-ND2 3.32Å; W675-N679 WeakPolarHBondContact O-CB 3.26Å; W675-N679 PolarHBondContact O-N 3.12Å; W675-N679 PolarHBondContact O-ND2 3Å; N676-N679 PolarHBondContact O-N 3.14Å; N679-L681 VanDerWaalsContact C-N 3.33Å; N679-R737 PolarHBondContact OD1-NH1 3.41Å; N679-P882 WeakPolarHBondContact O-CG 3.32Å
680R93.8Very high94.9Very high140 Ų14058.3 Ų58.353%0.52828%0.284SS..Hα-helixtrans-84-9.3175.2-68.1172.1174.5-93.6-4.7113.4N676 I678 E682 P882N676-R680 WeakPolarHBondContact O-CB 3.35Å; N676-R680 VanDerWaalsContact O-CG 3.3Å; N676-R680 WeakPolarHBondContact O-CG 3.45Å; N676-R680 PolarHBondContact O-N 3.23Å; I678-R680 VanDerWaalsContact C-N 3.35Å; I678-R680 PolarHBondContact O-N 3.08Å; R680-E682 VanDerWaalsContact C-N 3.3Å; R680-E682 HydrophobicContact CB-CB 4.25Å; R680-E682 HydrophobicContact CB-CG 3.84Å; R680-E682 WeakPolarHBondContact CB-OE2 3.37Å; R680-E682 VanDerWaalsContact CD-OE2 3.25Å; R680-E682 WeakPolarHBondContact CD-OE2 3.26Å; R680-P882 WeakPolarHBondContact O-CB 3.47Å
681L95.3Very high95.1Very high0 Ų054.9 Ų54.90%026%0.263CS..THydrogen-bonded Turntrans61.136.8-172.9-50.2169.5000112.2D677 I678 N679 R737 I740 I741 P882 R884 L885D677-L681 CarbonylContact O-C 3.54Å; D677-L681 PolarHBondContact O-N 3.16Å; D677-L681 VanDerWaalsContact O-N 3.11Å; I678-L681 PolarHBondContact O-N 2.84Å; N679-L681 VanDerWaalsContact C-N 3.33Å; L681-R737 HydrophobicContact CD2-CB 3.83Å; L681-R737 HydrophobicContact CD2-CG 4.04Å; L681-I740 HydrophobicContact CD1-CG2 4.29Å; L681-I741 HydrophobicContact CB-CD1 4.34Å; L681-I741 HydrophobicContact CB-CG1 3.8Å; L681-I741 HydrophobicContact CD2-CD1 3.92Å; L681-I741 HydrophobicContact CD2-CG1 3.82Å; L681-I741 HydrophobicContact CG-CG1 4.42Å; L681-P882 HydrophobicContact CD1-CB 4.19Å; L681-P882 HydrophobicContact CD1-CG 3.9Å; L681-P882 HydrophobicContact CG-CB 4.43Å; L681-P882 HydrophobicContact CG-CG 4.12Å; L681-R884 WeakPolarHBondContact O-CD 3.48Å; L681-R884 PolarHBondContact O-NH1 3.05Å; L681-L885 HydrophobicContact CD1-CB 3.84Å; L681-L885 HydrophobicContact CD1-CD2 3.89Å; L681-L885 HydrophobicContact CD1-CG 4.35Å
682E94.7Very high95.3Very high98 Ų9855.5 Ų55.546%0.45826%0.257SS..  trans-105.56-174.8-74.1170.1176.200113.2D677 R680D677-E682 PolarHBondContact O-N 3.34Å; R680-E682 VanDerWaalsContact C-N 3.3Å; R680-E682 HydrophobicContact CB-CB 4.25Å; R680-E682 HydrophobicContact CB-CG 3.84Å; R680-E682 WeakPolarHBondContact CB-OE2 3.37Å; R680-E682 VanDerWaalsContact CD-OE2 3.25Å; R680-E682 WeakPolarHBondContact CD-OE2 3.26Å
683L95.2Very high95.3Very high0 Ų055.8 Ų55.80%026%0.258CS..  trans-69140.1-178.7-159.372.4000112.4Y669 L674 D677 I678 V687 T688 I691 L738 I741 N745Y669-L683 HydrophobicContact CD1-CD1 4.42Å; Y669-L683 HydrophobicContact CE1-CD1 3.51Å; L674-L683 HydrophobicContact CD1-CD1 3.99Å; D677-L683 HydrophobicContact CB-CD1 4.02Å; I678-L683 HydrophobicContact CG1-CD2 4.01Å; L683-V687 HydrophobicContact CD1-CB 4.37Å; L683-V687 HydrophobicContact CD1-CG1 3.89Å; L683-V687 HydrophobicContact CD2-CB 4.45Å; L683-V687 HydrophobicContact CD2-CG1 4.12Å; L683-V687 HydrophobicContact CG-CB 4.15Å; L683-V687 HydrophobicContact CG-CG1 4.07Å; L683-T688 WeakPolarHBondContact CB-OG1 3.33Å; L683-T688 HydrophobicContact CD2-CG2 4.48Å; L683-T688 WeakPolarHBondContact CD2-OG1 3.39Å; L683-T688 WeakPolarHBondContact CG-OG1 3.38Å; L683-I691 HydrophobicContact CD2-CD1 3.88Å; L683-L738 HydrophobicContact CD2-CD2 4.14Å; L683-I741 HydrophobicContact CB-CD1 4.14Å; L683-I741 HydrophobicContact CB-CG2 4.27Å; L683-I741 WeakPolarHBondContact O-CG2 3.24Å; L683-N745 PolarHBondContact O-ND2 3.04Å
684G94.5Very high95.3Very high33 Ų3353.5 Ų53.534%0.3425%0.252SS..  trans-72.6158.7179.600000113.5D686 V687 T688G684-D686 PolarHBondContact O-N 2.89Å; G684-V687 PolarHBondContact O-N 3.34Å; G684-T688 WeakPolarHBondContact O-CB 3.26Å; G684-T688 PolarHBondContact O-N 3.24Å; G684-T688 PolarHBondContact O-OG1 2.84Å
685Q93.8Very high95.2Very high72 Ų7255.6 Ų55.634%0.33626%0.263SS..Hα-helixtrans-53.4-60.6-171.9-174.365.15.600113.3V687 T688 D689 N745Q685-V687 VanDerWaalsContact C-N 3.28Å; Q685-V687 PolarHBondContact O-N 3.4Å; Q685-T688 WeakPolarHBondContact O-CB 3.17Å; Q685-T688 PolarHBondContact O-N 2.74Å; Q685-T688 VanDerWaalsContact O-N 3.16Å; Q685-D689 WeakPolarHBondContact O-CB 3.47Å; Q685-D689 PolarHBondContact O-N 2.81Å; Q685-N745 PolarHBondContact N-ND2 3.13Å; Q685-N745 PolarHBondContact OE1-ND2 2.83Å
686D94.5Very high95.1Very high103 Ų10352.3 Ų52.355%0.55125%0.252SS*.Hα-helixtrans-63.9-32.6-174.8-55-58.9000113.3Y663 G684 R690Y663-D686 WeakPolarHBondContact OH-CB 3.42Å; G684-D686 PolarHBondContact O-N 2.89Å; D686-R690 WeakPolarHBondContact O-CB 3.37Å; D686-R690 WeakPolarHBondContact O-CD 3.46Å; D686-R690 WeakPolarHBondContact O-CG 3.45Å; D686-R690 PolarHBondContact O-N 3.09Å
687V96.6Very high95Very high8 Ų852.1 Ų52.15%0.04825%0.254CS..Hα-helixtrans-70.9-43.7177.5-171.20000110.1Y663 L664 E667 Y669 L683 G684 Q685 I691Y663-V687 HydrophobicContact CE1-CG2 4.11Å; L664-V687 HydrophobicContact CD2-CG1 3.54Å; E667-V687 HydrophobicContact CG-CG2 4.26Å; Y669-V687 HydrophobicContact CD2-CG1 4.41Å; Y669-V687 HydrophobicContact CE2-CG1 4.01Å; Y669-V687 HydrophobicContact CE2-CG2 3.98Å; L683-V687 HydrophobicContact CD1-CB 4.37Å; L683-V687 HydrophobicContact CD1-CG1 3.89Å; L683-V687 HydrophobicContact CD2-CB 4.45Å; L683-V687 HydrophobicContact CD2-CG1 4.12Å; L683-V687 HydrophobicContact CG-CB 4.15Å; L683-V687 HydrophobicContact CG-CG1 4.07Å; G684-V687 PolarHBondContact O-N 3.34Å; Q685-V687 VanDerWaalsContact C-N 3.28Å; Q685-V687 PolarHBondContact O-N 3.4Å; V687-I691 HydrophobicContact CG1-CD1 4.24Å; V687-I691 VanDerWaalsContact O-CG1 3.31Å; V687-I691 WeakPolarHBondContact O-CG1 3.24Å; V687-I691 PolarHBondContact O-N 3.08Å
688T97.1Very high94.8Very high0 Ų055.2 Ų55.20%028%0.278CS..Hα-helixtrans-62.7-46.2178.3-51.30000111L683 G684 Q685 I691 Y692 L738 I741 L742L683-T688 WeakPolarHBondContact CB-OG1 3.33Å; L683-T688 HydrophobicContact CD2-CG2 4.48Å; L683-T688 WeakPolarHBondContact CD2-OG1 3.39Å; L683-T688 WeakPolarHBondContact CG-OG1 3.38Å; G684-T688 WeakPolarHBondContact O-CB 3.26Å; G684-T688 PolarHBondContact O-N 3.24Å; G684-T688 PolarHBondContact O-OG1 2.84Å; Q685-T688 WeakPolarHBondContact O-CB 3.17Å; Q685-T688 PolarHBondContact O-N 2.74Å; Q685-T688 VanDerWaalsContact O-N 3.16Å; T688-I691 PolarHBondContact O-N 3.28Å; T688-Y692 VanDerWaalsContact O-CB 3.32Å; T688-Y692 WeakPolarHBondContact O-CB 3.01Å; T688-Y692 PolarHBondContact O-N 2.85Å; T688-L738 HydrophobicContact CG2-CB 3.95Å; T688-L738 HydrophobicContact CG2-CD2 3.66Å; T688-L738 HydrophobicContact CG2-CG 4.39Å; T688-L738 WeakPolarHBondContact CG2-O 3.33Å; T688-I741 HydrophobicContact CG2-CB 3.78Å; T688-I741 HydrophobicContact CG2-CD1 4.5Å; T688-I741 HydrophobicContact CG2-CG2 3.68Å; T688-I741 VanDerWaalsContact OG1-CG2 3.29Å; T688-I741 WeakPolarHBondContact OG1-CG2 3.34Å; T688-L742 HydrophobicContact CG2-CD1 4.47Å; T688-L742 HydrophobicContact CG2-CD2 3.9Å; T688-L742 HydrophobicContact CG2-CG 3.7Å
689D96Very high94.6Very high61 Ų6160.1 Ų60.133%0.32630%0.304SS..Hα-helixtrans-60.3-47.1-179.7-175.881.9000112.1Q685 I691 Y692 H693 L742Q685-D689 WeakPolarHBondContact O-CB 3.47Å; Q685-D689 PolarHBondContact O-N 2.81Å; D689-I691 PolarHBondContact O-N 3.23Å; D689-Y692 WeakPolarHBondContact O-CB 3.26Å; D689-Y692 PolarHBondContact O-N 3.01Å; D689-H693 PolarHBondContact O-CD2 3.3Å; D689-H693 PolarHBondContact O-N 3.05Å; D689-H693 IonicContact OD1-CD2 2.95Å; D689-H693 IonicContact OD1-NE2 2.74Å; D689-H693 IonicContact OD2-CD2 3.77Å; D689-H693 PolarHBondContact OD2-CD2 3.03Å; D689-H693 IonicContact OD2-NE2 3.3Å; D689-L742 HydrophobicContact CB-CD2 4Å
690R95.3Very high94.6Very high117 Ų11759.4 Ų59.444%0.44230%0.3SS..Hα-helixtrans-65.3-35.1178.7-69.9170.3-167.9-75.8-0.6113.5L660 Y663 D686 Q694L660-R690 HydrophobicContact CD1-CB 3.95Å; Y663-R690 VanDerWaalsContact CZ-NE 3.3Å; D686-R690 WeakPolarHBondContact O-CB 3.37Å; D686-R690 WeakPolarHBondContact O-CD 3.46Å; D686-R690 WeakPolarHBondContact O-CG 3.45Å; D686-R690 PolarHBondContact O-N 3.09Å; R690-Q694 PolarHBondContact O-N 2.77Å
691I96.9Very high94.5Very high0 Ų055.9 Ų55.90%029%0.29CS..Hα-helixtrans-72.2-41.1173.6-61.4172.4000110.2L660 L664 L674 I678 L683 V687 T688 D689 H693 Q694 L695 L728 L738L660-I691 HydrophobicContact CD1-CG1 4Å; L660-I691 HydrophobicContact CD2-CG1 4.27Å; L664-I691 HydrophobicContact CD2-CD1 4.19Å; L674-I691 HydrophobicContact CD1-CD1 3.76Å; I678-I691 HydrophobicContact CD1-CD1 4.46Å; L683-I691 HydrophobicContact CD2-CD1 3.88Å; V687-I691 HydrophobicContact CG1-CD1 4.24Å; V687-I691 VanDerWaalsContact O-CG1 3.31Å; V687-I691 WeakPolarHBondContact O-CG1 3.24Å; V687-I691 PolarHBondContact O-N 3.08Å; T688-I691 PolarHBondContact O-N 3.28Å; D689-I691 PolarHBondContact O-N 3.23Å; I691-H693 VanDerWaalsContact C-N 3.32Å; I691-H693 PolarHBondContact O-N 3.14Å; I691-Q694 CarbonylContact O-C 3.55Å; I691-Q694 VanDerWaalsContact O-C 3.31Å; I691-Q694 WeakPolarHBondContact O-CA 3.45Å; I691-Q694 PolarHBondContact O-N 3.49Å; I691-L695 PolarHBondContact O-N 3.47Å; I691-L695 VanDerWaalsContact O-N 3.1Å; I691-L728 HydrophobicContact CG2-CD1 4.12Å; I691-L728 HydrophobicContact CG2-CD2 3.92Å; I691-L738 HydrophobicContact CB-CD1 4.18Å; I691-L738 HydrophobicContact CG2-CD1 3.67Å; I691-L738 HydrophobicContact CG2-CD2 4.45Å
692Y96.6Very high94.4Very high81 Ų8162 Ų6232%0.31832%0.316SS..Hα-helixtrans-59.2-42.8178.3-177.8-106.2000111.5T688 D689 Q694 L695 L738 E739 L742T688-Y692 VanDerWaalsContact O-CB 3.32Å; T688-Y692 WeakPolarHBondContact O-CB 3.01Å; T688-Y692 PolarHBondContact O-N 2.85Å; D689-Y692 WeakPolarHBondContact O-CB 3.26Å; D689-Y692 PolarHBondContact O-N 3.01Å; Y692-Q694 PolarHBondContact O-N 3.07Å; Y692-L695 HydrophobicContact CD2-CD1 3.7Å; Y692-L695 HydrophobicContact CD2-CG 4.47Å; Y692-L695 HydrophobicContact CE2-CD1 3.84Å; Y692-L695 VanDerWaalsContact O-CG 3.31Å; Y692-L695 WeakPolarHBondContact O-CG 3.25Å; Y692-L695 PolarHBondContact O-N 3.24Å; Y692-L738 HydrophobicContact CD2-CB 4.07Å; Y692-E739 HydrophobicContact CD2-CG 4.36Å; Y692-E739 HydrophobicContact CE2-CG 3.56Å; Y692-L742 HydrophobicContact CD1-CD1 4.16Å; Y692-L742 HydrophobicContact CG-CD1 4.11Å
693H95.3Very high94.3Very high127 Ų12760.7 Ų60.759%0.58832%0.315SS*.THydrogen-bonded Turntrans-68.7-8.8172.6-78.1-53.2000115.4D689 I691D689-H693 PolarHBondContact O-CD2 3.3Å; D689-H693 PolarHBondContact O-N 3.05Å; D689-H693 IonicContact OD1-CD2 2.95Å; D689-H693 IonicContact OD1-NE2 2.74Å; D689-H693 IonicContact OD2-CD2 3.77Å; D689-H693 PolarHBondContact OD2-CD2 3.03Å; D689-H693 IonicContact OD2-NE2 3.3Å; I691-H693 VanDerWaalsContact C-N 3.32Å; I691-H693 PolarHBondContact O-N 3.14Å
694Q94.5Very high94.2Very high45 Ų4560.8 Ų60.821%0.2132%0.316CS..THydrogen-bonded Turntrans-120.620.5177.3-65.8-58.6-40.800113.2R653 I657 L660 R690 I691 Y692R653-Q694 PolarHBondContact NH1-O 3.45Å; I657-Q694 HydrophobicContact CD1-CB 3.98Å; I657-Q694 HydrophobicContact CD1-CG 4.46Å; L660-Q694 HydrophobicContact CD2-CB 3.89Å; L660-Q694 HydrophobicContact CD2-CG 4.27Å; R690-Q694 PolarHBondContact O-N 2.77Å; I691-Q694 CarbonylContact O-C 3.55Å; I691-Q694 VanDerWaalsContact O-C 3.31Å; I691-Q694 WeakPolarHBondContact O-CA 3.45Å; I691-Q694 PolarHBondContact O-N 3.49Å; Y692-Q694 PolarHBondContact O-N 3.07Å
695L94.8Very high94.1Very high49 Ų4961.8 Ų61.826%0.25731%0.313SS..PPolyproline II helixtrans-47.3138.6178.5-84.4170.8000112.7R653 I691 Y692 T697 L734 L738R653-L695 PolarHBondContact NH2-O 2.88Å; I691-L695 PolarHBondContact O-N 3.47Å; I691-L695 VanDerWaalsContact O-N 3.1Å; Y692-L695 HydrophobicContact CD2-CD1 3.7Å; Y692-L695 HydrophobicContact CD2-CG 4.47Å; Y692-L695 HydrophobicContact CE2-CD1 3.84Å; Y692-L695 VanDerWaalsContact O-CG 3.31Å; Y692-L695 WeakPolarHBondContact O-CG 3.25Å; Y692-L695 PolarHBondContact O-N 3.24Å; L695-T697 PolarHBondContact O-N 3.37Å; L695-L734 HydrophobicContact CD2-CB 4.34Å; L695-L734 HydrophobicContact CD2-CD2 3.67Å; L695-L734 HydrophobicContact CD2-CG 3.71Å; L695-L738 HydrophobicContact CD2-CD1 3.99Å
696P93.8Very high94Very high17 Ų1761.4 Ų61.411%0.1131%0.313CS..PPolyproline II helixtrans-62.9131.1172.2-13.224.1000110.8L725 L728 C729 L734P696-L725 HydrophobicContact CB-CD1 4.05Å; P696-L725 HydrophobicContact CB-CG 4.48Å; P696-L725 HydrophobicContact CG-CD1 3.75Å; P696-L725 HydrophobicContact CG-CG 4.44Å; P696-L728 HydrophobicContact CG-CB 4.23Å; P696-C729 WeakPolarHBondContact CB-SG 3.32Å; P696-L734 HydrophobicContact CG-CD2 4.47Å
697T93.5Very high93.9Very high75 Ų7556.9 Ų56.946%0.4629%0.288SS..PPolyproline II helixtrans-67.8160.3169.661.10000110.7L695 D699 E700 M701L695-T697 PolarHBondContact O-N 3.37Å; T697-D699 PolarHBondContact O-N 3.31Å; T697-E700 WeakPolarHBondContact CB-OE2 3.41Å; T697-E700 WeakPolarHBondContact CG2-OE2 3.44Å; T697-E700 PolarHBondContact N-OE2 2.8Å; T697-E700 PolarHBondContact O-N 2.95Å; T697-E700 WeakPolarHBondContact OG1-CB 3.2Å; T697-E700 VanDerWaalsContact OG1-CD 3.32Å; T697-E700 VanDerWaalsContact OG1-CG 3.24Å; T697-E700 WeakPolarHBondContact OG1-CG 3.49Å; T697-E700 PolarHBondContact OG1-N 3.08Å; T697-E700 PolarHBondContact OG1-OE2 3.08Å; T697-M701 WeakPolarHBondContact O-CB 3.35Å; T697-M701 PolarHBondContact O-N 3.33Å
698S90.4Very high93.7Very high91 Ų9158.3 Ų58.364%0.63629%0.294SS*.Hα-helixtrans-60.5-28-179.9-52.50000113.6K702S698-K702 VanDerWaalsContact O-CG 3.23Å; S698-K702 WeakPolarHBondContact O-CG 3.5Å; S698-K702 PolarHBondContact O-N 3.25Å; S698-K702 VanDerWaalsContact O-N 3.15Å
699D91.1Very high93.3Very high102 Ų10264 Ų6455%0.54532%0.32SS..Hα-helixtrans-86-33179.5-64.9-32000112.5T697 K702 T703T697-D699 PolarHBondContact O-N 3.31Å; D699-K702 IonicContact OD1-NZ 3.46Å; D699-K702 PolarHBondContact OD1-NZ 3.47Å; D699-T703 WeakPolarHBondContact O-CB 3.49Å; D699-T703 PolarHBondContact O-N 2.87Å; D699-T703 PolarHBondContact O-OG1 2.93Å
700E93.4Very high92.9Very high29 Ų2965.8 Ų65.814%0.13633%0.333CS..Hα-helixtrans-60.2-50.5164.9-73.2168124.800110.2R653 T697 K702 T703 Y704 L725R653-E700 WeakPolarHBondContact CG-OE1 3.45Å; R653-E700 IonicContact CZ-OE1 2.68Å; R653-E700 IonicContact CZ-OE2 3.68Å; R653-E700 IonicContact NE-OE1 3.5Å; R653-E700 PolarHBondContact NE-OE1 3.16Å; R653-E700 IonicContact NE-OE2 3.38Å; R653-E700 IonicContact NH2-OE1 3.5Å; R653-E700 PolarHBondContact NH2-OE1 3.44Å; R653-E700 IonicContact NH2-OE2 2.71Å; R653-E700 PolarHBondContact NH2-OE2 3.29Å; T697-E700 WeakPolarHBondContact CB-OE2 3.41Å; T697-E700 WeakPolarHBondContact CG2-OE2 3.44Å; T697-E700 PolarHBondContact N-OE2 2.8Å; T697-E700 PolarHBondContact O-N 2.95Å; T697-E700 WeakPolarHBondContact OG1-CB 3.2Å; T697-E700 VanDerWaalsContact OG1-CD 3.32Å; T697-E700 VanDerWaalsContact OG1-CG 3.24Å; T697-E700 WeakPolarHBondContact OG1-CG 3.49Å; T697-E700 PolarHBondContact OG1-N 3.08Å; T697-E700 PolarHBondContact OG1-OE2 3.08Å; E700-K702 VanDerWaalsContact C-N 3.32Å; E700-K702 PolarHBondContact O-N 2.87Å; E700-T703 WeakPolarHBondContact O-CA 3.43Å; E700-T703 WeakPolarHBondContact O-CB 3.35Å; E700-T703 PolarHBondContact O-N 3.47Å; E700-Y704 HydrophobicContact CB-CD2 4.19Å; E700-Y704 HydrophobicContact CB-CE2 4.19Å; E700-Y704 HydrophobicContact CG-CE2 4.49Å; E700-Y704 WeakPolarHBondContact O-CD2 3.35Å; E700-Y704 PolarHBondContact O-N 3.21Å; E700-L725 HydrophobicContact CB-CD2 4.38Å; E700-L725 HydrophobicContact CG-CD2 4.42Å; E700-L725 WeakPolarHBondContact OE1-CD2 3.4Å
701M92.4Very high92.6Very high65 Ų6564.2 Ų64.232%0.3233%0.33SS..Hα-helixtrans-56.8-43.9179.9-175177.6-76.900111.9T697 L705 C729T697-M701 WeakPolarHBondContact O-CB 3.35Å; T697-M701 PolarHBondContact O-N 3.33Å; M701-L705 HydrophobicContact CG-CD1 3.7Å; M701-L705 HydrophobicContact CG-CG 4.36Å; M701-L705 VanDerWaalsContact O-CB 3.27Å; M701-L705 WeakPolarHBondContact O-CB 3.48Å; M701-L705 WeakPolarHBondContact O-CG 3.47Å; M701-L705 PolarHBondContact O-N 3.08Å; M701-C729 HydrophobicContact CG-CB 4.25Å
702K91.6Very high92.1Very high129 Ų12972 Ų7256%0.56137%0.366SS*.Hα-helixtrans-58.4-48.2170.4-71.8166.1-159.3161.10111.7S698 D699 E700 N706S698-K702 VanDerWaalsContact O-CG 3.23Å; S698-K702 WeakPolarHBondContact O-CG 3.5Å; S698-K702 PolarHBondContact O-N 3.25Å; S698-K702 VanDerWaalsContact O-N 3.15Å; D699-K702 IonicContact OD1-NZ 3.46Å; D699-K702 PolarHBondContact OD1-NZ 3.47Å; E700-K702 VanDerWaalsContact C-N 3.32Å; E700-K702 PolarHBondContact O-N 2.87Å; K702-N706 WeakPolarHBondContact O-CB 3.34Å; K702-N706 PolarHBondContact O-N 2.94Å
703T92.9Very high91.8Very high70 Ų7073.8 Ų73.843%0.42937%0.373SS..Hα-helixtrans-61.4-49.6-175.8-58.70000112D699 E700 N706 Y707D699-T703 WeakPolarHBondContact O-CB 3.49Å; D699-T703 PolarHBondContact O-N 2.87Å; D699-T703 PolarHBondContact O-OG1 2.93Å; E700-T703 WeakPolarHBondContact O-CA 3.43Å; E700-T703 WeakPolarHBondContact O-CB 3.35Å; E700-T703 PolarHBondContact O-N 3.47Å; T703-N706 PolarHBondContact O-N 3.23Å; T703-Y707 WeakPolarHBondContact O-CB 3.45Å; T703-Y707 PolarHBondContact O-N 3.31Å
704Y94.4Very high91.5Very high3 Ų370.2 Ų70.21%0.01236%0.362CS..Hα-helixtrans-69.1-43.7-179.1-74.8-73.1000112.4L648 M649 E700 N706 Y707 E708 D722 L725 L726L648-Y704 HydrophobicContact CB-CE1 4.04Å; L648-Y704 HydrophobicContact CD1-CD1 4.01Å; L648-Y704 HydrophobicContact CD1-CE1 3.82Å; L648-Y704 HydrophobicContact CG-CE1 4.37Å; M649-Y704 WeakPolarHBondContact CB-OH 3.38Å; M649-Y704 HydrophobicContact CE-CE2 4.45Å; M649-Y704 WeakPolarHBondContact CE-OH 3.22Å; M649-Y704 WeakPolarHBondContact CG-OH 3.46Å; M649-Y704 PolarHBondContact N-OH 3.47Å; E700-Y704 HydrophobicContact CB-CD2 4.19Å; E700-Y704 HydrophobicContact CB-CE2 4.19Å; E700-Y704 HydrophobicContact CG-CE2 4.49Å; E700-Y704 WeakPolarHBondContact O-CD2 3.35Å; E700-Y704 PolarHBondContact O-N 3.21Å; Y704-N706 VanDerWaalsContact C-N 3.34Å; Y704-N706 PolarHBondContact O-N 3.38Å; Y704-Y707 PolarHBondContact O-N 2.98Å; Y704-E708 PolarHBondContact O-N 3.02Å; Y704-D722 HydrophobicContact CE1-CB 4.06Å; Y704-D722 PolarHBondContact OH-OD1 2.85Å; Y704-D722 VanDerWaalsContact OH-OD1 3.05Å; Y704-L725 HydrophobicContact CD2-CD2 4.16Å; Y704-L725 HydrophobicContact CD2-CG 4.5Å; Y704-L725 HydrophobicContact CE2-CD2 3.56Å; Y704-L725 HydrophobicContact CE2-CG 4.27Å; Y704-L726 HydrophobicContact CD1-CB 4.02Å; Y704-L726 HydrophobicContact CG-CB 4.4Å
705L91.4Very high91.3Very high53 Ų5370.8 Ų70.828%0.27737%0.366SS..Hα-helixtrans-67.1-35.8176.4-63.9176000111.8M701 F709 C729 K730M701-L705 HydrophobicContact CG-CD1 3.7Å; M701-L705 HydrophobicContact CG-CG 4.36Å; M701-L705 VanDerWaalsContact O-CB 3.27Å; M701-L705 WeakPolarHBondContact O-CB 3.48Å; M701-L705 WeakPolarHBondContact O-CG 3.47Å; M701-L705 PolarHBondContact O-N 3.08Å; L705-F709 HydrophobicContact CB-CD2 4.32Å; L705-F709 HydrophobicContact CD2-CD2 4.04Å; L705-F709 HydrophobicContact CD2-CE2 3.74Å; L705-F709 WeakPolarHBondContact O-CB 3.13Å; L705-F709 WeakPolarHBondContact O-CD2 3.35Å; L705-F709 PolarHBondContact O-N 2.84Å; L705-C729 HydrophobicContact CD2-CB 4.49Å; L705-K730 HydrophobicContact CD2-CG 4.35Å
706N91.7Very high91Very high65 Ų6573.6 Ų73.635%0.34838%0.381SS..Iπ-helixtrans-67.3-39.8175-167.870.3000111.7K702 T703 Y704 E708 T710 E711K702-N706 WeakPolarHBondContact O-CB 3.34Å; K702-N706 PolarHBondContact O-N 2.94Å; T703-N706 PolarHBondContact O-N 3.23Å; Y704-N706 VanDerWaalsContact C-N 3.34Å; Y704-N706 PolarHBondContact O-N 3.38Å; N706-E708 PolarHBondContact O-N 3.41Å; N706-T710 CarbonylContact O-C 3.58Å; N706-T710 WeakPolarHBondContact O-CA 3.28Å; N706-T710 VanDerWaalsContact O-CB 3.32Å; N706-T710 WeakPolarHBondContact O-CB 3.17Å; N706-T710 PolarHBondContact O-N 3.1Å; N706-T710 WeakPolarHBondContact OD1-CB 3.47Å; N706-T710 WeakPolarHBondContact OD1-CG2 3.47Å; N706-T710 PolarHBondContact OD1-OG1 3.33Å; N706-E711 PolarHBondContact ND2-OE1 2.95Å; N706-E711 PolarHBondContact O-N 3.25Å
707Y93.2Very high90.8Very high8 Ų877.1 Ų77.13%0.03140%0.399CS..Iπ-helixtrans-58.5-44.2177-178.4-86.1000112.6L648 T703 Y704 Q712 R713 S714 L718L648-Y707 HydrophobicContact CD1-CD2 3.63Å; L648-Y707 HydrophobicContact CD1-CE2 4.12Å; L648-Y707 HydrophobicContact CD1-CG 3.86Å; L648-Y707 HydrophobicContact CD2-CD2 4.17Å; L648-Y707 HydrophobicContact CD2-CE2 4.19Å; T703-Y707 WeakPolarHBondContact O-CB 3.45Å; T703-Y707 PolarHBondContact O-N 3.31Å; Y704-Y707 PolarHBondContact O-N 2.98Å; Y707-Q712 PolarHBondContact O-N 3.46Å; Y707-R713 HydrophobicContact CD1-CB 4.04Å; Y707-R713 HydrophobicContact CD2-CB 4.16Å; Y707-R713 HydrophobicContact CE1-CB 3.58Å; Y707-R713 HydrophobicContact CE2-CB 3.74Å; Y707-R713 VanDerWaalsContact CE2-CD 3.45Å; Y707-R713 HydrophobicContact CE2-CG 4.25Å; Y707-R713 HydrophobicContact CG-CB 4.31Å; Y707-R713 VanDerWaalsContact CZ-CB 3.42Å; Y707-R713 PolarHBondContact O-N 2.68Å; Y707-R713 VanDerWaalsContact O-N 3.12Å; Y707-S714 PolarHBondContact OH-O 2.73Å; Y707-S714 VanDerWaalsContact OH-O 3.07Å; Y707-L718 HydrophobicContact CD1-CD1 3.95Å; Y707-L718 HydrophobicContact CE1-CD1 3.64Å; Y707-L718 HydrophobicContact CE1-CD2 4.04Å; Y707-L718 HydrophobicContact CE1-CG 3.78Å; Y707-L718 HydrophobicContact CE2-CD2 4.13Å
708E91.6Very high90.8Very high37 Ų3773.5 Ų73.517%0.17338%0.377CS..Iπ-helixtrans-82.2-52.9179.9-178.9176.1176.400113.1Y704 N706 Q712 I715 L726 K730Y704-E708 PolarHBondContact O-N 3.02Å; N706-E708 PolarHBondContact O-N 3.41Å; E708-Q712 VanDerWaalsContact O-CA 3.31Å; E708-Q712 WeakPolarHBondContact O-CA 3.19Å; E708-Q712 PolarHBondContact O-N 3.49Å; E708-I715 VanDerWaalsContact CD-CD1 3.5Å; E708-I715 HydrophobicContact CG-CD1 4Å; E708-I715 HydrophobicContact CG-CG1 4.31Å; E708-I715 WeakPolarHBondContact OE1-CD1 3.39Å; E708-L726 WeakPolarHBondContact OE2-CD1 3.22Å; E708-K730 WeakPolarHBondContact OE1-CE 3.38Å; E708-K730 IonicContact OE1-NZ 2.83Å; E708-K730 PolarHBondContact OE1-NZ 3.28Å; E708-K730 WeakPolarHBondContact OE2-CE 3.4Å; E708-K730 IonicContact OE2-NZ 2.6Å; E708-K730 PolarHBondContact OE2-NZ 2.75Å
709F89.5Confident91Very high121 Ų12170 Ų7053%0.53135%0.352SS..Iπ-helixtrans-90.2-25.7-167.7-63-72.8000114.1L705L705-F709 HydrophobicContact CB-CD2 4.32Å; L705-F709 HydrophobicContact CD2-CD2 4.04Å; L705-F709 HydrophobicContact CD2-CE2 3.74Å; L705-F709 WeakPolarHBondContact O-CB 3.13Å; L705-F709 WeakPolarHBondContact O-CD2 3.35Å; L705-F709 PolarHBondContact O-N 2.84Å
710T86.2Confident91.1Very high98 Ų9868.8 Ų68.860%0.60135%0.345SS*.Iπ-helixtrans-104.3-48.5-178.1-45.90000112.3N706N706-T710 CarbonylContact O-C 3.58Å; N706-T710 WeakPolarHBondContact O-CA 3.28Å; N706-T710 VanDerWaalsContact O-CB 3.32Å; N706-T710 WeakPolarHBondContact O-CB 3.17Å; N706-T710 PolarHBondContact O-N 3.1Å; N706-T710 WeakPolarHBondContact OD1-CB 3.47Å; N706-T710 WeakPolarHBondContact OD1-CG2 3.47Å; N706-T710 PolarHBondContact OD1-OG1 3.33Å
711E89Confident91.2Very high83 Ų8369.1 Ų69.139%0.38835%0.347SS..SBendtrans-83-14.4178.7-60-176.1-172.200112.6N706 R713N706-E711 PolarHBondContact ND2-OE1 2.95Å; N706-E711 PolarHBondContact O-N 3.25Å; E711-R713 HydrophobicContact CB-CG 4.05Å; E711-R713 PolarHBondContact O-N 2.68Å; E711-R713 VanDerWaalsContact O-N 3.16Å; E711-R713 WeakPolarHBondContact OE2-CD 3.48Å; E711-R713 IonicContact OE2-CZ 2.8Å; E711-R713 IonicContact OE2-NE 3.23Å; E711-R713 PolarHBondContact OE2-NE 2.68Å; E711-R713 IonicContact OE2-NH1 2.71Å; E711-R713 PolarHBondContact OE2-NH1 3.18Å; E711-R713 IonicContact OE2-NH2 3.25Å; E711-R713 PolarHBondContact OE2-NH2 2.93Å
712Q87.8Confident91.4Very high163 Ų16366 Ų6676%0.76233%0.332SS*.  trans50.437.7178.8-60.7-173.1-700113.4Y707 E708Y707-Q712 PolarHBondContact O-N 3.46Å; E708-Q712 VanDerWaalsContact O-CA 3.31Å; E708-Q712 WeakPolarHBondContact O-CA 3.19Å; E708-Q712 PolarHBondContact O-N 3.49Å
713R88.7Confident91.5Very high119 Ų11963 Ų6345%0.44932%0.317SS..  trans-81.5153.1179.7-71.6-176.8176.5155.210111.4Y707 E711 I715Y707-R713 HydrophobicContact CD1-CB 4.04Å; Y707-R713 HydrophobicContact CD2-CB 4.16Å; Y707-R713 HydrophobicContact CE1-CB 3.58Å; Y707-R713 HydrophobicContact CE2-CB 3.74Å; Y707-R713 VanDerWaalsContact CE2-CD 3.45Å; Y707-R713 HydrophobicContact CE2-CG 4.25Å; Y707-R713 HydrophobicContact CG-CB 4.31Å; Y707-R713 VanDerWaalsContact CZ-CB 3.42Å; Y707-R713 PolarHBondContact O-N 2.68Å; Y707-R713 VanDerWaalsContact O-N 3.12Å; E711-R713 HydrophobicContact CB-CG 4.05Å; E711-R713 PolarHBondContact O-N 2.68Å; E711-R713 VanDerWaalsContact O-N 3.16Å; E711-R713 WeakPolarHBondContact OE2-CD 3.48Å; E711-R713 IonicContact OE2-CZ 2.8Å; E711-R713 IonicContact OE2-NE 3.23Å; E711-R713 PolarHBondContact OE2-NE 2.68Å; E711-R713 IonicContact OE2-NH1 2.71Å; E711-R713 PolarHBondContact OE2-NH1 3.18Å; E711-R713 IonicContact OE2-NH2 3.25Å; E711-R713 PolarHBondContact OE2-NH2 2.93Å; R713-I715 PolarHBondContact O-N 3.5Å
714S89.2Confident91.7Very high53 Ų5360.4 Ų60.437%0.37130%0.3SS..  trans-62.8117178.31790000110.5Y707 D716 D717Y707-S714 PolarHBondContact OH-O 2.73Å; Y707-S714 VanDerWaalsContact OH-O 3.07Å; S714-D716 PolarHBondContact O-N 3.46Å; S714-D716 PolarHBondContact OG-N 3.26Å; S714-D717 PolarHBondContact O-N 3.07Å
715I89.9Confident91.7Very high56 Ų5660.3 Ų60.329%0.28730%0.3SS..G310 helixtrans-59.5-25169.6-54.2170.5000110.1E708 R713 D717 L718 R723 L726E708-I715 VanDerWaalsContact CD-CD1 3.5Å; E708-I715 HydrophobicContact CG-CD1 4Å; E708-I715 HydrophobicContact CG-CG1 4.31Å; E708-I715 WeakPolarHBondContact OE1-CD1 3.39Å; R713-I715 PolarHBondContact O-N 3.5Å; I715-D717 PolarHBondContact O-N 2.92Å; I715-L718 WeakPolarHBondContact O-CB 3.43Å; I715-L718 PolarHBondContact O-N 2.87Å; I715-R723 HydrophobicContact CG2-CG 4.1Å; I715-R723 PolarHBondContact O-NE 2.96Å; I715-L726 HydrophobicContact CD1-CD2 4.34Å; I715-L726 HydrophobicContact CG1-CD2 4.18Å; I715-L726 HydrophobicContact CG2-CD2 3.92Å
716D89.1Confident91.9Very high108 Ų10857.9 Ų57.958%0.57829%0.287SS*.G310 helixtrans-69-20.9-179.9-87.1-49.8000114.3S714 L718 R723S714-D716 PolarHBondContact O-N 3.46Å; S714-D716 PolarHBondContact OG-N 3.26Å; D716-L718 PolarHBondContact O-N 3.31Å; D716-R723 PolarHBondContact O-NH2 2.98Å; D716-R723 IonicContact OD1-CZ 3.22Å; D716-R723 IonicContact OD1-NH1 2.75Å; D716-R723 PolarHBondContact OD1-NH1 3.41Å; D716-R723 IonicContact OD1-NH2 2.9Å; D716-R723 PolarHBondContact OD1-NH2 3.27Å
717D90.6Very high92.1Very high91 Ų9156.8 Ų56.849%0.48728%0.28SS..G310 helixtrans-74.2-14.8176.5-59.4-12.8000112.1K645 K646 S714 I715K645-D717 CarbonylContact C-O 3.59Å; K645-D717 WeakPolarHBondContact CA-O 3.41Å; K646-D717 PolarHBondContact N-O 3.34Å; S714-D717 PolarHBondContact O-N 3.07Å; I715-D717 PolarHBondContact O-N 2.92Å
718L93Very high92.2Very high0 Ų056.4 Ų56.40%028%0.278CS..BIsolated β-bridgetrans-85149.3-177.3-64.2-178.8000113.5K645 K646 L648 Y707 I715 D716 D722 R723 L726K645-L718 WeakPolarHBondContact CD-O 3.25Å; K646-L718 WeakPolarHBondContact O-CA 3.4Å; L648-L718 HydrophobicContact CD1-CD1 4.45Å; L648-L718 HydrophobicContact CD1-CD2 3.87Å; L648-L718 HydrophobicContact CD2-CD2 4.39Å; L648-L718 HydrophobicContact CG-CD2 3.76Å; Y707-L718 HydrophobicContact CD1-CD1 3.95Å; Y707-L718 HydrophobicContact CE1-CD1 3.64Å; Y707-L718 HydrophobicContact CE1-CD2 4.04Å; Y707-L718 HydrophobicContact CE1-CG 3.78Å; Y707-L718 HydrophobicContact CE2-CD2 4.13Å; I715-L718 WeakPolarHBondContact O-CB 3.43Å; I715-L718 PolarHBondContact O-N 2.87Å; D716-L718 PolarHBondContact O-N 3.31Å; L718-D722 HydrophobicContact CB-CB 3.87Å; L718-D722 HydrophobicContact CD1-CB 4.33Å; L718-D722 HydrophobicContact CD2-CB 4.43Å; L718-D722 HydrophobicContact CG-CB 4.45Å; L718-R723 HydrophobicContact CB-CG 4.24Å; L718-R723 PolarHBondContact O-NE 3.2Å; L718-L726 HydrophobicContact CD1-CD2 4.39Å
719T94.1Very high92.4Very high17 Ų1754.9 Ų54.910%0.10427%0.272CS..  trans-61161.6170.785.50000112K645 K646 H654 E721 D722 R723K645-T719 HydrophobicContact CB-CG2 4.12Å; K646-T719 PolarHBondContact O-N 3.12Å; K646-T719 VanDerWaalsContact O-N 3.17Å; H654-T719 PolarHBondContact NE2-OG1 3.03Å; T719-E721 WeakPolarHBondContact CB-OE2 3.37Å; T719-E721 PolarHBondContact O-N 3.35Å; T719-E721 PolarHBondContact OG1-OE2 2.74Å; T719-D722 WeakPolarHBondContact CB-OD2 3.45Å; T719-D722 WeakPolarHBondContact O-CB 3.45Å; T719-D722 PolarHBondContact O-N 2.77Å; T719-D722 PolarHBondContact OG1-N 3.04Å; T719-D722 PolarHBondContact OG1-OD2 3Å; T719-R723 VanDerWaalsContact O-CG 3.27Å; T719-R723 WeakPolarHBondContact O-CG 3.26Å; T719-R723 PolarHBondContact O-N 3.34Å
720D93.9Very high92.6Very high76 Ų7652.6 Ų52.641%0.40626%0.262SS..Hα-helixtrans-72.8-25.5-175.6-58-53.3000111.3K645 L661 R723 L724K645-D720 IonicContact NZ-OD1 3.15Å; K645-D720 PolarHBondContact NZ-OD1 3.2Å; K645-D720 IonicContact NZ-OD2 4Å; K645-D720 PolarHBondContact NZ-OD2 3.33Å; L661-D720 HydrophobicContact CD2-CB 4.03Å; D720-R723 IonicContact OD1-NE 3.64Å; D720-L724 PolarHBondContact O-N 3.35Å
721E95.4Very high92.9Very high36 Ų3648.1 Ų48.117%0.16823%0.234CC..Hα-helixtrans-68.1-46.2168.7-57.385.8167.800112.3M649 H654 I657 L661 T719 R723 L724 L725M649-E721 HydrophobicContact SD-CB 4.48Å; H654-E721 IonicContact CE1-OE1 2.7Å; H654-E721 PolarHBondContact CE1-OE1 3.27Å; H654-E721 IonicContact CE1-OE2 2.73Å; H654-E721 PolarHBondContact CE1-OE2 3.26Å; H654-E721 IonicContact NE2-OE1 2.75Å; H654-E721 IonicContact NE2-OE2 2.66Å; H654-E721 PolarHBondContact NE2-OE2 2.79Å; I657-E721 HydrophobicContact CB-CB 4.34Å; I657-E721 HydrophobicContact CG2-CB 4.01Å; I657-E721 WeakPolarHBondContact CG2-O 3.35Å; L661-E721 HydrophobicContact CD2-CG 4.28Å; T719-E721 WeakPolarHBondContact CB-OE2 3.37Å; T719-E721 PolarHBondContact O-N 3.35Å; T719-E721 PolarHBondContact OG1-OE2 2.74Å; E721-R723 VanDerWaalsContact C-N 3.31Å; E721-R723 PolarHBondContact O-N 3.08Å; E721-L724 PolarHBondContact O-N 3.2Å; E721-L725 PolarHBondContact O-N 2.79Å
722D95.9Very high93Very high0 Ų050.7 Ų50.70%025%0.246CC..Hα-helixtrans-59.3-41.5173.1-74.2-102000111.5S647 L648 H654 Y704 L718 T719 L725 L726S647-D722 VanDerWaalsContact CA-OD2 3.31Å; S647-D722 WeakPolarHBondContact CA-OD2 3.4Å; S647-D722 WeakPolarHBondContact CB-OD2 3.5Å; S647-D722 PolarHBondContact OG-OD2 3.33Å; L648-D722 WeakPolarHBondContact CB-OD1 3.41Å; L648-D722 PolarHBondContact N-OD1 2.98Å; H654-D722 IonicContact CD2-OD2 3.82Å; Y704-D722 HydrophobicContact CE1-CB 4.06Å; Y704-D722 PolarHBondContact OH-OD1 2.85Å; Y704-D722 VanDerWaalsContact OH-OD1 3.05Å; L718-D722 HydrophobicContact CB-CB 3.87Å; L718-D722 HydrophobicContact CD1-CB 4.33Å; L718-D722 HydrophobicContact CD2-CB 4.43Å; L718-D722 HydrophobicContact CG-CB 4.45Å; T719-D722 WeakPolarHBondContact CB-OD2 3.45Å; T719-D722 WeakPolarHBondContact O-CB 3.45Å; T719-D722 PolarHBondContact O-N 2.77Å; T719-D722 PolarHBondContact OG1-N 3.04Å; T719-D722 PolarHBondContact OG1-OD2 3Å; D722-L725 PolarHBondContact O-N 3.28Å; D722-L726 WeakPolarHBondContact O-CB 3.31Å; D722-L726 PolarHBondContact O-N 2.81Å
723R95.1Very high93.2Very high66 Ų6647.8 Ų47.825%0.24923%0.228CC..Hα-helixtrans-63.6-40.6176.3-69.3171.9-167.6-138.314.9112.1I715 D716 L718 T719 D720 E721 H727I715-R723 HydrophobicContact CG2-CG 4.1Å; I715-R723 PolarHBondContact O-NE 2.96Å; D716-R723 PolarHBondContact O-NH2 2.98Å; D716-R723 IonicContact OD1-CZ 3.22Å; D716-R723 IonicContact OD1-NH1 2.75Å; D716-R723 PolarHBondContact OD1-NH1 3.41Å; D716-R723 IonicContact OD1-NH2 2.9Å; D716-R723 PolarHBondContact OD1-NH2 3.27Å; L718-R723 HydrophobicContact CB-CG 4.24Å; L718-R723 PolarHBondContact O-NE 3.2Å; T719-R723 VanDerWaalsContact O-CG 3.27Å; T719-R723 WeakPolarHBondContact O-CG 3.26Å; T719-R723 PolarHBondContact O-N 3.34Å; D720-R723 IonicContact OD1-NE 3.64Å; E721-R723 VanDerWaalsContact C-N 3.31Å; E721-R723 PolarHBondContact O-N 3.08Å; R723-H727 WeakPolarHBondContact O-CB 3.32Å; R723-H727 PolarHBondContact O-N 3.08Å
724L95.7Very high93.5Very high16 Ų1642.4 Ų42.48%0.08421%0.208CC..Hα-helixtrans-62.3-46.7174.217562.3000111.1I657 L660 L661 L664 L674 D720 E721 H727 L728I657-L724 HydrophobicContact CG2-CB 4.38Å; I657-L724 HydrophobicContact CG2-CD2 4.01Å; I657-L724 HydrophobicContact CG2-CG 4.4Å; L660-L724 HydrophobicContact CD2-CD2 4.35Å; L660-L724 HydrophobicContact CG-CD2 4.3Å; L661-L724 HydrophobicContact CB-CD2 3.76Å; L661-L724 HydrophobicContact CD1-CB 4.45Å; L661-L724 HydrophobicContact CD1-CD2 4.04Å; L661-L724 HydrophobicContact CG-CD2 4.46Å; L664-L724 HydrophobicContact CD1-CD1 3.92Å; L664-L724 HydrophobicContact CD1-CD2 3.86Å; L674-L724 HydrophobicContact CD2-CD1 4.09Å; D720-L724 PolarHBondContact O-N 3.35Å; E721-L724 PolarHBondContact O-N 3.2Å; L724-H727 WeakPolarHBondContact O-CB 3.39Å; L724-H727 PolarHBondContact O-N 2.95Å; L724-L728 HydrophobicContact CD1-CD1 4.48Å; L724-L728 HydrophobicContact CD1-CG 4.41Å; L724-L728 HydrophobicContact CG-CD1 4.42Å; L724-L728 WeakPolarHBondContact O-CG 3.35Å; L724-L728 PolarHBondContact O-N 2.96Å
725L95.6Very high93.7Very high0 Ų040.4 Ų40.40%020%0.197CC..Hα-helixtrans-67.1-39.5-179.4-166.268000111.9M649 I657 P696 E700 Y704 E721 D722 H727 L728 C729M649-L725 HydrophobicContact CE-CB 3.65Å; M649-L725 HydrophobicContact CE-CD2 3.33Å; M649-L725 HydrophobicContact CE-CG 4.1Å; I657-L725 HydrophobicContact CD1-CD1 4.02Å; I657-L725 HydrophobicContact CG1-CD1 4.49Å; P696-L725 HydrophobicContact CB-CD1 4.05Å; P696-L725 HydrophobicContact CB-CG 4.48Å; P696-L725 HydrophobicContact CG-CD1 3.75Å; P696-L725 HydrophobicContact CG-CG 4.44Å; E700-L725 HydrophobicContact CB-CD2 4.38Å; E700-L725 HydrophobicContact CG-CD2 4.42Å; E700-L725 WeakPolarHBondContact OE1-CD2 3.4Å; Y704-L725 HydrophobicContact CD2-CD2 4.16Å; Y704-L725 HydrophobicContact CD2-CG 4.5Å; Y704-L725 HydrophobicContact CE2-CD2 3.56Å; Y704-L725 HydrophobicContact CE2-CG 4.27Å; E721-L725 PolarHBondContact O-N 2.79Å; D722-L725 PolarHBondContact O-N 3.28Å; L725-H727 VanDerWaalsContact C-N 3.32Å; L725-H727 PolarHBondContact O-N 3.39Å; L725-L728 PolarHBondContact O-N 3.47Å; L725-C729 PolarHBondContact O-N 3.03Å; L725-C729 PolarHBondContact O-SG 3.11Å
726L94.8Very high93.9Very high3 Ų339.6 Ų39.62%0.01620%0.195CC..Hα-helixtrans-59.3-42171.2172.961.7000111.8Y704 E708 I715 L718 D722 C729 K730Y704-L726 HydrophobicContact CD1-CB 4.02Å; Y704-L726 HydrophobicContact CG-CB 4.4Å; E708-L726 WeakPolarHBondContact OE2-CD1 3.22Å; I715-L726 HydrophobicContact CD1-CD2 4.34Å; I715-L726 HydrophobicContact CG1-CD2 4.18Å; I715-L726 HydrophobicContact CG2-CD2 3.92Å; L718-L726 HydrophobicContact CD1-CD2 4.39Å; D722-L726 WeakPolarHBondContact O-CB 3.31Å; D722-L726 PolarHBondContact O-N 2.81Å; L726-C729 WeakPolarHBondContact O-CB 3.42Å; L726-C729 PolarHBondContact O-N 3.43Å; L726-K730 WeakPolarHBondContact O-CG 3.19Å; L726-K730 PolarHBondContact O-N 2.89Å
727H95Very high94.2Very high41 Ų4135 Ų3519%0.1917%0.169CC..Hα-helixtrans-62.7-43.2176.5-176.292.9000111.8P671 W675 R723 L724 L725 K730P671-H727 PolarHBondContact O-CE1 2.85Å; P671-H727 VanDerWaalsContact O-CE1 3.28Å; P671-H727 PolarHBondContact O-NE2 3.46Å; P671-H727 VanDerWaalsContact O-NE2 3.13Å; W675-H727 AromaticContact CE3-CE1 3.88Å; W675-H727 AromaticContact CE3-NE2 3.75Å; R723-H727 WeakPolarHBondContact O-CB 3.32Å; R723-H727 PolarHBondContact O-N 3.08Å; L724-H727 WeakPolarHBondContact O-CB 3.39Å; L724-H727 PolarHBondContact O-N 2.95Å; L725-H727 VanDerWaalsContact C-N 3.32Å; L725-H727 PolarHBondContact O-N 3.39Å; H727-K730 PolarHBondContact O-N 3.42Å
728L96.2Very high94.5Very high0 Ų030.6 Ų30.60%015%0.146CC..Hα-helixtrans-63.5-40.1173.2-68.5174.8000112.1L660 L674 I678 I691 P696 L724 L725 K730 V731 L734L660-L728 HydrophobicContact CD2-CD1 4.43Å; L674-L728 HydrophobicContact CD2-CD2 4.4Å; I678-L728 HydrophobicContact CD1-CD2 4.27Å; I691-L728 HydrophobicContact CG2-CD1 4.12Å; I691-L728 HydrophobicContact CG2-CD2 3.92Å; P696-L728 HydrophobicContact CG-CB 4.23Å; L724-L728 HydrophobicContact CD1-CD1 4.48Å; L724-L728 HydrophobicContact CD1-CG 4.41Å; L724-L728 HydrophobicContact CG-CD1 4.42Å; L724-L728 WeakPolarHBondContact O-CG 3.35Å; L724-L728 PolarHBondContact O-N 2.96Å; L725-L728 PolarHBondContact O-N 3.47Å; L728-K730 PolarHBondContact O-N 3.3Å; L728-V731 PolarHBondContact O-N 3.45Å; L728-L734 HydrophobicContact CB-CD2 3.89Å; L728-L734 HydrophobicContact CD2-CD2 4.21Å
729C95Very high94.7Very high6 Ų633.8 Ų33.84%0.04116%0.161CC..Hα-helixtrans-60.4-24.1176.8-69.80000113.9P696 M701 L705 L725 L726P696-C729 WeakPolarHBondContact CB-SG 3.32Å; M701-C729 HydrophobicContact CG-CB 4.25Å; L705-C729 HydrophobicContact CD2-CB 4.49Å; L725-C729 PolarHBondContact O-N 3.03Å; L725-C729 PolarHBondContact O-SG 3.11Å; L726-C729 WeakPolarHBondContact O-CB 3.42Å; L726-C729 PolarHBondContact O-N 3.43Å
730K93.8Very high94.7Very high72 Ų7233.3 Ų33.331%0.31316%0.157SC..THydrogen-bonded Turntrans-78.5-16.7176.9-70.5174.3-178.2-174.30113.8W675 L705 E708 L726 H727 L728 E732W675-K730 HydrophobicContact CH2-CB 4.06Å; W675-K730 WeakPolarHBondContact CH2-O 3.39Å; W675-K730 HydrophobicContact CZ3-CB 3.7Å; L705-K730 HydrophobicContact CD2-CG 4.35Å; E708-K730 WeakPolarHBondContact OE1-CE 3.38Å; E708-K730 IonicContact OE1-NZ 2.83Å; E708-K730 PolarHBondContact OE1-NZ 3.28Å; E708-K730 WeakPolarHBondContact OE2-CE 3.4Å; E708-K730 IonicContact OE2-NZ 2.6Å; E708-K730 PolarHBondContact OE2-NZ 2.75Å; L726-K730 WeakPolarHBondContact O-CG 3.19Å; L726-K730 PolarHBondContact O-N 2.89Å; H727-K730 PolarHBondContact O-N 3.42Å; L728-K730 PolarHBondContact O-N 3.3Å; K730-E732 PolarHBondContact O-N 3.5Å
731V93.7Very high94.9Very high4 Ų429.7 Ų29.72%0.02414%0.138CC..SBendtrans-75.5110.5-178.8-178.30000109.6W675 I678 L728 R733 L734W675-V731 HydrophobicContact CE3-CG2 3.7Å; W675-V731 HydrophobicContact CH2-CG2 4.44Å; W675-V731 HydrophobicContact CZ3-CB 4.37Å; W675-V731 HydrophobicContact CZ3-CG2 3.57Å; I678-V731 HydrophobicContact CG2-CG1 3.82Å; L728-V731 PolarHBondContact O-N 3.45Å; V731-R733 PolarHBondContact O-N 3.1Å; V731-L734 HydrophobicContact CB-CB 4.12Å; V731-L734 HydrophobicContact CB-CD1 4.02Å; V731-L734 HydrophobicContact CG1-CB 4.2Å; V731-L734 HydrophobicContact CG1-CD1 3.92Å; V731-L734 HydrophobicContact CG2-CD1 4.42Å; V731-L734 PolarHBondContact O-N 3.28Å
732E90.8Very high94.9Very high138 Ų13829.1 Ų29.165%0.64514%0.136SC*.THydrogen-bonded Turntrans-55.4128.9174.3-179178-164.600110.9K730 L734 R737K730-E732 PolarHBondContact O-N 3.5Å; E732-L734 VanDerWaalsContact C-N 3.28Å; E732-L734 PolarHBondContact O-N 3.02Å; E732-R737 WeakPolarHBondContact O-CD 3.25Å; E732-R737 PolarHBondContact O-NE 3.05Å; E732-R737 PolarHBondContact O-NH1 3.23Å
733R91.8Very high95Very high101 Ų10130.3 Ų30.338%0.38114%0.141SC..THydrogen-bonded Turntrans51.740.2-179.1-59.117573.294.413.3113.8V731 G735 P736 R737 E872V731-R733 PolarHBondContact O-N 3.1Å; R733-G735 PolarHBondContact O-N 3.2Å; R733-P736 HydrophobicContact CB-CG 4.46Å; R733-P736 WeakPolarHBondContact O-CD 3.17Å; R733-R737 WeakPolarHBondContact O-CG 3.26Å; R733-R737 PolarHBondContact O-N 3.28Å; R733-R737 VanDerWaalsContact O-N 3.08Å; R733-E872 IonicContact CZ-OE1 3.91Å; R733-E872 VanDerWaalsContact CZ-OE1 3.26Å; R733-E872 IonicContact CZ-OE2 3.37Å; R733-E872 IonicContact NE-OE1 2.85Å; R733-E872 PolarHBondContact NE-OE1 2.8Å; R733-E872 IonicContact NE-OE2 3.25Å; R733-E872 PolarHBondContact NE-OE2 3.46Å; R733-E872 IonicContact NH2-OE1 2.75Å; R733-E872 PolarHBondContact NH2-OE1 2.96Å; R733-E872 IonicContact NH2-OE2 2.74Å
734L94.7Very high95.1Very high6 Ų627.9 Ų27.93%0.03113%0.133CC..Hα-helixtrans-46.9-52.3-179.9-178.961.8000113.5I678 L695 P696 L728 V731 E732 R737 L738I678-L734 HydrophobicContact CD1-CD1 4.2Å; I678-L734 HydrophobicContact CG2-CD1 4.02Å; L695-L734 HydrophobicContact CD2-CB 4.34Å; L695-L734 HydrophobicContact CD2-CD2 3.67Å; L695-L734 HydrophobicContact CD2-CG 3.71Å; P696-L734 HydrophobicContact CG-CD2 4.47Å; L728-L734 HydrophobicContact CB-CD2 3.89Å; L728-L734 HydrophobicContact CD2-CD2 4.21Å; V731-L734 HydrophobicContact CB-CB 4.12Å; V731-L734 HydrophobicContact CB-CD1 4.02Å; V731-L734 HydrophobicContact CG1-CB 4.2Å; V731-L734 HydrophobicContact CG1-CD1 3.92Å; V731-L734 HydrophobicContact CG2-CD1 4.42Å; V731-L734 PolarHBondContact O-N 3.28Å; E732-L734 VanDerWaalsContact C-N 3.28Å; E732-L734 PolarHBondContact O-N 3.02Å; L734-R737 PolarHBondContact O-N 3.26Å; L734-L738 HydrophobicContact CD1-CD1 3.87Å; L734-L738 HydrophobicContact CD1-CD2 4.38Å; L734-L738 HydrophobicContact CD1-CG 4.02Å; L734-L738 HydrophobicContact CG-CD1 3.93Å; L734-L738 HydrophobicContact CG-CG 4.43Å; L734-L738 WeakPolarHBondContact O-CG 3.36Å; L734-L738 PolarHBondContact O-N 3.23Å
735G94.5Very high95.1Very high12 Ų1229.2 Ų29.212%0.12414%0.14CC..Hα-helixtrans-53.8-63.318000000113.3R733 R737 L738 E739R733-G735 PolarHBondContact O-N 3.2Å; G735-R737 PolarHBondContact O-N 2.84Å; G735-L738 PolarHBondContact O-N 2.96Å; G735-E739 WeakPolarHBondContact O-CG 3.43Å; G735-E739 PolarHBondContact O-N 3.45Å
736P94.2Very high95.2Very high38 Ų3830.6 Ų30.625%0.24715%0.15CC..Hα-helixtrans-53.6-36.4176.5-3035.3000114.4R733 E739 I740 E872R733-P736 HydrophobicContact CB-CG 4.46Å; R733-P736 WeakPolarHBondContact O-CD 3.17Å; P736-E739 PolarHBondContact O-N 3.28Å; P736-I740 VanDerWaalsContact O-CD1 3.31Å; P736-I740 WeakPolarHBondContact O-CD1 3.46Å; P736-I740 WeakPolarHBondContact O-CG1 3.39Å; P736-I740 PolarHBondContact O-N 3.41Å; P736-E872 WeakPolarHBondContact CB-OE1 3.47Å
737R94.9Very high95.3Very high11 Ų1130.4 Ų30.44%0.04215%0.149CC..Hα-helixtrans-65.5-42.6176.3-71.1178.1179.4-178.51.3112.3N679 L681 E732 R733 L734 G735 I740 I741N679-R737 PolarHBondContact OD1-NH1 3.41Å; L681-R737 HydrophobicContact CD2-CB 3.83Å; L681-R737 HydrophobicContact CD2-CG 4.04Å; E732-R737 WeakPolarHBondContact O-CD 3.25Å; E732-R737 PolarHBondContact O-NE 3.05Å; E732-R737 PolarHBondContact O-NH1 3.23Å; R733-R737 WeakPolarHBondContact O-CG 3.26Å; R733-R737 PolarHBondContact O-N 3.28Å; R733-R737 VanDerWaalsContact O-N 3.08Å; L734-R737 PolarHBondContact O-N 3.26Å; G735-R737 PolarHBondContact O-N 2.84Å; R737-I740 PolarHBondContact O-N 2.87Å; R737-I741 WeakPolarHBondContact O-CD1 3.43Å; R737-I741 WeakPolarHBondContact O-CG1 3.3Å; R737-I741 PolarHBondContact O-N 3.15Å
738L97Very high95.3Very high0 Ų032.4 Ų32.40%016%0.158CC..Hα-helixtrans-66.9-40.2176.1-63.2172.9000111.4L683 T688 I691 Y692 L695 L734 G735 I740 I741 L742L683-L738 HydrophobicContact CD2-CD2 4.14Å; T688-L738 HydrophobicContact CG2-CB 3.95Å; T688-L738 HydrophobicContact CG2-CD2 3.66Å; T688-L738 HydrophobicContact CG2-CG 4.39Å; T688-L738 WeakPolarHBondContact CG2-O 3.33Å; I691-L738 HydrophobicContact CB-CD1 4.18Å; I691-L738 HydrophobicContact CG2-CD1 3.67Å; I691-L738 HydrophobicContact CG2-CD2 4.45Å; Y692-L738 HydrophobicContact CD2-CB 4.07Å; L695-L738 HydrophobicContact CD2-CD1 3.99Å; L734-L738 HydrophobicContact CD1-CD1 3.87Å; L734-L738 HydrophobicContact CD1-CD2 4.38Å; L734-L738 HydrophobicContact CD1-CG 4.02Å; L734-L738 HydrophobicContact CG-CD1 3.93Å; L734-L738 HydrophobicContact CG-CG 4.43Å; L734-L738 WeakPolarHBondContact O-CG 3.36Å; L734-L738 PolarHBondContact O-N 3.23Å; G735-L738 PolarHBondContact O-N 2.96Å; L738-I740 PolarHBondContact O-N 3.17Å; L738-I741 HydrophobicContact CD2-CD1 4.46Å; L738-I741 PolarHBondContact O-N 3.33Å; L738-L742 WeakPolarHBondContact O-CG 3.35Å; L738-L742 PolarHBondContact O-N 3.17Å
739E96Very high95.3Very high67 Ų6737.8 Ų37.831%0.31319%0.187SC..Hα-helixtrans-56.9-46.6174.3-69.9166.1-159.500111.8Y692 G735 P736 L742 F743Y692-E739 HydrophobicContact CD2-CG 4.36Å; Y692-E739 HydrophobicContact CE2-CG 3.56Å; G735-E739 WeakPolarHBondContact O-CG 3.43Å; G735-E739 PolarHBondContact O-N 3.45Å; P736-E739 PolarHBondContact O-N 3.28Å; E739-L742 PolarHBondContact O-N 2.96Å; E739-F743 WeakPolarHBondContact O-CB 3.47Å; E739-F743 PolarHBondContact O-N 3.08Å
740I95.6Very high95.3Very high6 Ų641 Ų413%0.03120%0.204CC..Hα-helixtrans-62.2-44.1175.6-64.2158.8000111.4L681 P736 R737 L738 F743 M744 E872 L885L681-I740 HydrophobicContact CD1-CG2 4.29Å; P736-I740 VanDerWaalsContact O-CD1 3.31Å; P736-I740 WeakPolarHBondContact O-CD1 3.46Å; P736-I740 WeakPolarHBondContact O-CG1 3.39Å; P736-I740 PolarHBondContact O-N 3.41Å; R737-I740 PolarHBondContact O-N 2.87Å; L738-I740 PolarHBondContact O-N 3.17Å; I740-F743 PolarHBondContact O-N 3.31Å; I740-M744 HydrophobicContact CG2-CG 4.09Å; I740-M744 HydrophobicContact CG2-SD 3.53Å; I740-M744 VanDerWaalsContact CG2-SD 3.53Å; I740-M744 WeakPolarHBondContact O-CB 3.5Å; I740-M744 VanDerWaalsContact O-CG 3.27Å; I740-M744 WeakPolarHBondContact O-CG 3.37Å; I740-M744 PolarHBondContact O-N 3.35Å; I740-E872 HydrophobicContact CD1-CB 3.54Å; I740-E872 HydrophobicContact CD1-CG 3.48Å; I740-E872 VanDerWaalsContact CD1-CG 3.48Å; I740-E872 HydrophobicContact CG1-CG 4.37Å; I740-L885 HydrophobicContact CG2-CD1 3.79Å
741I96.6Very high95.5Very high0 Ų038.3 Ų38.30%019%0.193CC..Hα-helixtrans-62.6-46.3-179.9-67.4160.1000110.3L681 L683 T688 R737 L738 F743 M744 N745L681-I741 HydrophobicContact CB-CD1 4.34Å; L681-I741 HydrophobicContact CB-CG1 3.8Å; L681-I741 HydrophobicContact CD2-CD1 3.92Å; L681-I741 HydrophobicContact CD2-CG1 3.82Å; L681-I741 HydrophobicContact CG-CG1 4.42Å; L683-I741 HydrophobicContact CB-CD1 4.14Å; L683-I741 HydrophobicContact CB-CG2 4.27Å; L683-I741 WeakPolarHBondContact O-CG2 3.24Å; T688-I741 HydrophobicContact CG2-CB 3.78Å; T688-I741 HydrophobicContact CG2-CD1 4.5Å; T688-I741 HydrophobicContact CG2-CG2 3.68Å; T688-I741 VanDerWaalsContact OG1-CG2 3.29Å; T688-I741 WeakPolarHBondContact OG1-CG2 3.34Å; R737-I741 WeakPolarHBondContact O-CD1 3.43Å; R737-I741 WeakPolarHBondContact O-CG1 3.3Å; R737-I741 PolarHBondContact O-N 3.15Å; L738-I741 HydrophobicContact CD2-CD1 4.46Å; L738-I741 PolarHBondContact O-N 3.33Å; I741-F743 VanDerWaalsContact C-N 3.34Å; I741-F743 PolarHBondContact O-N 3.49Å; I741-M744 PolarHBondContact O-N 3.22Å; I741-N745 WeakPolarHBondContact CG2-ND2 3.33Å; I741-N745 VanDerWaalsContact O-CB 3.24Å; I741-N745 WeakPolarHBondContact O-CB 3.19Å; I741-N745 PolarHBondContact O-N 3.34Å; I741-N745 PolarHBondContact O-ND2 3.32Å
742L96.7Very high95.6Very high25 Ų2542.3 Ų42.313%0.13121%0.214CC..Hα-helixtrans-57.9-46.6175.3-70.1171.5000111.1T688 D689 Y692 L738 E739 N745 S746T688-L742 HydrophobicContact CG2-CD1 4.47Å; T688-L742 HydrophobicContact CG2-CD2 3.9Å; T688-L742 HydrophobicContact CG2-CG 3.7Å; D689-L742 HydrophobicContact CB-CD2 4Å; Y692-L742 HydrophobicContact CD1-CD1 4.16Å; Y692-L742 HydrophobicContact CG-CD1 4.11Å; L738-L742 WeakPolarHBondContact O-CG 3.35Å; L738-L742 PolarHBondContact O-N 3.17Å; E739-L742 PolarHBondContact O-N 2.96Å; L742-N745 PolarHBondContact O-N 2.86Å; L742-S746 PolarHBondContact O-N 2.79Å; L742-S746 VanDerWaalsContact O-N 3.09Å; L742-S746 PolarHBondContact O-OG 3.36Å; L742-S746 VanDerWaalsContact O-OG 3.12Å
743F97.1Very high95.8Very high25 Ų2539.3 Ų39.311%0.1121%0.205CC..Hα-helixtrans-61.6-48.3177.5177.3-112.6000112.5E739 I740 I741 N745 S746 F747 L862 G865 M866 F888E739-F743 WeakPolarHBondContact O-CB 3.47Å; E739-F743 PolarHBondContact O-N 3.08Å; I740-F743 PolarHBondContact O-N 3.31Å; I741-F743 VanDerWaalsContact C-N 3.34Å; I741-F743 PolarHBondContact O-N 3.49Å; F743-N745 PolarHBondContact O-N 2.96Å; F743-S746 PolarHBondContact O-N 2.93Å; F743-F747 HydrophobicContact CE1-CD2 4.14Å; F743-F747 HydrophobicContact CE2-CD2 4.08Å; F743-F747 AromaticContact CZ-CD2 3.63Å; F743-F747 HydrophobicContact CZ-CD2 3.63Å; F743-F747 HydrophobicContact CZ-CE2 4.05Å; F743-F747 WeakPolarHBondContact O-CA 3.26Å; F743-F747 WeakPolarHBondContact O-CB 3.42Å; F743-F747 PolarHBondContact O-N 3.08Å; F743-L862 HydrophobicContact CE2-CD2 4.25Å; F743-G865 WeakPolarHBondContact CE1-O 3.45Å; F743-G865 VanDerWaalsContact CZ-C 3.41Å; F743-M866 HydrophobicContact CE1-CB 4.41Å; F743-M866 HydrophobicContact CE1-CE 4.19Å; F743-M866 HydrophobicContact CZ-CB 4.27Å; F743-M866 HydrophobicContact CZ-CE 4.41Å; F743-M866 VanDerWaalsContact CZ-N 3.27Å; F743-F888 HydrophobicContact CD1-CE1 4.04Å; F743-F888 HydrophobicContact CD1-CZ 4Å; F743-F888 AromaticContact CE1-CE1 3.69Å; F743-F888 HydrophobicContact CE1-CE1 3.69Å; F743-F888 AromaticContact CE1-CZ 3.67Å; F743-F888 HydrophobicContact CE1-CZ 3.67Å; F743-F888 HydrophobicContact CZ-CZ 4.47Å
744M97.2Very high96Very high15 Ų1534.6 Ų34.67%0.07419%0.188CC..Hα-helixtrans-64.5-38.8-179.5-74.6177.154.700112.6I740 I741 R884 L885 F888I740-M744 HydrophobicContact CG2-CG 4.09Å; I740-M744 HydrophobicContact CG2-SD 3.53Å; I740-M744 VanDerWaalsContact CG2-SD 3.53Å; I740-M744 WeakPolarHBondContact O-CB 3.5Å; I740-M744 VanDerWaalsContact O-CG 3.27Å; I740-M744 WeakPolarHBondContact O-CG 3.37Å; I740-M744 PolarHBondContact O-N 3.35Å; I741-M744 PolarHBondContact O-N 3.22Å; M744-R884 HydrophobicContact CE-CB 4.22Å; M744-R884 HydrophobicContact CE-CG 3.61Å; M744-R884 WeakPolarHBondContact CE-O 3.23Å; M744-L885 HydrophobicContact SD-CB 4.44Å; M744-L885 HydrophobicContact SD-CD1 3.77Å; M744-F888 HydrophobicContact CB-CD2 4.23Å; M744-F888 HydrophobicContact CB-CE2 4.13Å; M744-F888 HydrophobicContact CB-CZ 4.41Å; M744-F888 HydrophobicContact CE-CB 3.77Å; M744-F888 HydrophobicContact CE-CD2 4.3Å; M744-F888 HydrophobicContact CE-CG 4Å; M744-F888 HydrophobicContact CG-CD1 3.74Å; M744-F888 HydrophobicContact CG-CD2 3.87Å; M744-F888 HydrophobicContact CG-CE1 3.79Å; M744-F888 HydrophobicContact CG-CE2 3.92Å; M744-F888 HydrophobicContact CG-CG 3.78Å; M744-F888 HydrophobicContact CG-CZ 3.88Å; M744-F888 HydrophobicContact SD-CB 4.38Å; M744-F888 HydrophobicContact SD-CD1 4.28Å; M744-F888 HydrophobicContact SD-CG 4.22Å
745N96.7Very high96.1Very high43 Ų4337.1 Ų37.123%0.2320%0.201CC..Hα-helixtrans-69.7-36.7178.9-74.7-13.6000112L683 Q685 I741 L742 F743 R884L683-N745 PolarHBondContact O-ND2 3.04Å; Q685-N745 PolarHBondContact N-ND2 3.13Å; Q685-N745 PolarHBondContact OE1-ND2 2.83Å; I741-N745 WeakPolarHBondContact CG2-ND2 3.33Å; I741-N745 VanDerWaalsContact O-CB 3.24Å; I741-N745 WeakPolarHBondContact O-CB 3.19Å; I741-N745 PolarHBondContact O-N 3.34Å; I741-N745 PolarHBondContact O-ND2 3.32Å; L742-N745 PolarHBondContact O-N 2.86Å; F743-N745 PolarHBondContact O-N 2.96Å; N745-R884 PolarHBondContact OD1-NH1 3.08Å; N745-R884 VanDerWaalsContact OD1-NH1 3.14Å; N745-R884 PolarHBondContact OD1-NH2 3.23Å
746S95.8Very high96.1Very high29 Ų2940.2 Ų40.220%0.20322%0.221CC..Hα-helixtrans-94.52.5179.6740000114.5L742 F743 N750L742-S746 PolarHBondContact O-N 2.79Å; L742-S746 VanDerWaalsContact O-N 3.09Å; L742-S746 PolarHBondContact O-OG 3.36Å; L742-S746 VanDerWaalsContact O-OG 3.12Å; F743-S746 PolarHBondContact O-N 2.93Å; S746-N750 WeakPolarHBondContact O-CB 3.23Å; S746-N750 VanDerWaalsContact O-CG 3.25Å; S746-N750 PolarHBondContact O-N 3.13Å; S746-N750 VanDerWaalsContact O-N 3.13Å; S746-N750 PolarHBondContact O-ND2 3.44Å; S746-N750 PolarHBondContact OG-ND2 2.9Å; S746-N750 VanDerWaalsContact OG-ND2 3.16Å
747F97.3Very high96.2Very high0 Ų040.7 Ų40.70%022%0.219CC..Hα-helixtrans-62.1-53.5-168.6177.2-100.6000113.6F743 D749 N750 L751 L862 M866 F888 N892 V896F743-F747 HydrophobicContact CE1-CD2 4.14Å; F743-F747 HydrophobicContact CE2-CD2 4.08Å; F743-F747 AromaticContact CZ-CD2 3.63Å; F743-F747 HydrophobicContact CZ-CD2 3.63Å; F743-F747 HydrophobicContact CZ-CE2 4.05Å; F743-F747 WeakPolarHBondContact O-CA 3.26Å; F743-F747 WeakPolarHBondContact O-CB 3.42Å; F743-F747 PolarHBondContact O-N 3.08Å; F747-D749 PolarHBondContact O-N 2.93Å; F747-N750 PolarHBondContact O-N 3.4Å; F747-L751 HydrophobicContact CE1-CB 4.46Å; F747-L751 HydrophobicContact CE1-CD1 4.48Å; F747-L751 HydrophobicContact CE1-CD2 3.88Å; F747-L751 HydrophobicContact CZ-CD1 3.95Å; F747-L751 HydrophobicContact CZ-CD2 4.14Å; F747-L751 HydrophobicContact CZ-CG 4.45Å; F747-L751 VanDerWaalsContact O-CB 3.25Å; F747-L751 WeakPolarHBondContact O-CB 3.5Å; F747-L751 PolarHBondContact O-N 3.1Å; F747-L862 HydrophobicContact CD2-CD2 3.98Å; F747-L862 HydrophobicContact CE2-CD2 3.96Å; F747-M866 HydrophobicContact CD2-CE 4.35Å; F747-M866 HydrophobicContact CE2-CE 3.74Å; F747-M866 HydrophobicContact CZ-CE 4.04Å; F747-F888 HydrophobicContact CB-CE2 3.62Å; F747-F888 HydrophobicContact CB-CZ 3.8Å; F747-F888 AromaticContact CD1-CE2 3.82Å; F747-F888 HydrophobicContact CD1-CE2 3.82Å; F747-F888 HydrophobicContact CD1-CZ 4.13Å; F747-F888 HydrophobicContact CD2-CE2 4.26Å; F747-F888 AromaticContact CD2-CZ 3.76Å; F747-F888 HydrophobicContact CD2-CZ 3.76Å; F747-F888 HydrophobicContact CE2-CZ 4.41Å; F747-F888 AromaticContact CG-CE2 3.62Å; F747-F888 HydrophobicContact CG-CE2 3.62Å; F747-F888 AromaticContact CG-CZ 3.6Å; F747-F888 HydrophobicContact CG-CZ 3.6Å; F747-N892 HydrophobicContact CD1-CB 4.37Å; F747-N892 HydrophobicContact CE1-CB 3.6Å; F747-N892 WeakPolarHBondContact CE1-OD1 3.36Å; F747-N892 HydrophobicContact CZ-CB 3.69Å; F747-V896 HydrophobicContact CE2-CG2 3.56Å; F747-V896 HydrophobicContact CZ-CG2 3.68Å
748E96Very high96.3Very high83 Ų8340.2 Ų40.239%0.38822%0.217SC..Hα-helixtrans-66.8-36.8-174.4-68.9-70.6163.200111.5L751 N752 N892 K895E748-L751 PolarHBondContact O-N 3.49Å; E748-N752 WeakPolarHBondContact O-CB 3.39Å; E748-N752 VanDerWaalsContact O-CG 3.23Å; E748-N752 PolarHBondContact O-N 2.83Å; E748-N752 PolarHBondContact O-ND2 3.28Å; E748-N892 PolarHBondContact OE1-OD1 3.42Å; E748-K895 IonicContact OE1-NZ 2.71Å; E748-K895 PolarHBondContact OE1-NZ 3.37Å; E748-K895 IonicContact OE2-NZ 3.8Å
749D95.5Very high96.2Very high113 Ų11344.5 Ų44.560%0.60424%0.239SC*.Hα-helixtrans-63.6-48.8175.2-67.1-34.8000111.4F747 L751 N752 V753F747-D749 PolarHBondContact O-N 2.93Å; D749-L751 VanDerWaalsContact C-N 3.34Å; D749-L751 PolarHBondContact O-N 3.05Å; D749-N752 PolarHBondContact O-N 3.2Å; D749-V753 WeakPolarHBondContact O-CG2 3.42Å; D749-V753 PolarHBondContact O-N 3.19Å
750N95.8Very high96.2Very high74 Ų7442 Ų4240%0.39623%0.23SC..Hα-helixtrans-61.6-42.2176.5-71.5-23.6000111.6S746 F747 V753 V754 L862S746-N750 WeakPolarHBondContact O-CB 3.23Å; S746-N750 VanDerWaalsContact O-CG 3.25Å; S746-N750 PolarHBondContact O-N 3.13Å; S746-N750 VanDerWaalsContact O-N 3.13Å; S746-N750 PolarHBondContact O-ND2 3.44Å; S746-N750 PolarHBondContact OG-ND2 2.9Å; S746-N750 VanDerWaalsContact OG-ND2 3.16Å; F747-N750 PolarHBondContact O-N 3.4Å; N750-V753 PolarHBondContact O-N 3.03Å; N750-V754 WeakPolarHBondContact O-CB 3.41Å; N750-V754 VanDerWaalsContact O-CG2 3.31Å; N750-V754 WeakPolarHBondContact O-CG2 3.38Å; N750-V754 PolarHBondContact O-N 2.89Å; N750-L862 HydrophobicContact CB-CD2 3.99Å
751L96.8Very high96.2Very high14 Ų1442 Ų427%0.07323%0.23CC..Hα-helixtrans-60.2-45.9177-170.277.1000111.4F747 E748 D749 V754 N755 L862 K895 I899F747-L751 HydrophobicContact CE1-CB 4.46Å; F747-L751 HydrophobicContact CE1-CD1 4.48Å; F747-L751 HydrophobicContact CE1-CD2 3.88Å; F747-L751 HydrophobicContact CZ-CD1 3.95Å; F747-L751 HydrophobicContact CZ-CD2 4.14Å; F747-L751 HydrophobicContact CZ-CG 4.45Å; F747-L751 VanDerWaalsContact O-CB 3.25Å; F747-L751 WeakPolarHBondContact O-CB 3.5Å; F747-L751 PolarHBondContact O-N 3.1Å; E748-L751 PolarHBondContact O-N 3.49Å; D749-L751 VanDerWaalsContact C-N 3.34Å; D749-L751 PolarHBondContact O-N 3.05Å; L751-V754 PolarHBondContact O-N 3.28Å; L751-N755 WeakPolarHBondContact O-CB 3.39Å; L751-N755 PolarHBondContact O-N 2.87Å; L751-L862 HydrophobicContact CD1-CD1 4.29Å; L751-K895 HydrophobicContact CD2-CD 3.94Å; L751-I899 HydrophobicContact CD1-CG1 3.82Å
752N96Very high96.2Very high88 Ų8846.1 Ų46.147%0.47125%0.246SC..Hα-helixtrans-64.6-45.9179-75.3-42.9000111.7E748 D749 V754 N755 S756E748-N752 WeakPolarHBondContact O-CB 3.39Å; E748-N752 VanDerWaalsContact O-CG 3.23Å; E748-N752 PolarHBondContact O-N 2.83Å; E748-N752 PolarHBondContact O-ND2 3.28Å; D749-N752 PolarHBondContact O-N 3.2Å; N752-V754 PolarHBondContact O-N 3.49Å; N752-N755 PolarHBondContact O-N 3.34Å; N752-S756 WeakPolarHBondContact O-CB 3.44Å; N752-S756 PolarHBondContact O-N 3.34Å; N752-S756 PolarHBondContact O-OG 2.85Å; N752-S756 VanDerWaalsContact O-OG 3.06Å
753V95.4Very high96.1Very high76 Ų7647.1 Ų47.146%0.46126%0.255SS..Hα-helixtrans-60.2-46.2176.8169.40000111.5D749 N750 K757D749-V753 WeakPolarHBondContact O-CG2 3.42Å; D749-V753 PolarHBondContact O-N 3.19Å; N750-V753 PolarHBondContact O-N 3.03Å; V753-K757 HydrophobicContact CG1-CD 4.37Å; V753-K757 WeakPolarHBondContact O-CG 3.39Å; V753-K757 PolarHBondContact O-N 2.95Å; V753-K757 VanDerWaalsContact O-N 3.15Å
754V96.1Very high96.1Very high2 Ų245.9 Ų45.91%0.01225%0.25CC..Hα-helixtrans-63-48.2177.4167.30000111.3N750 L751 N752 S756 K757 I758 L855 D858 V859 L862 I899N750-V754 WeakPolarHBondContact O-CB 3.41Å; N750-V754 VanDerWaalsContact O-CG2 3.31Å; N750-V754 WeakPolarHBondContact O-CG2 3.38Å; N750-V754 PolarHBondContact O-N 2.89Å; L751-V754 PolarHBondContact O-N 3.28Å; N752-V754 PolarHBondContact O-N 3.49Å; V754-S756 VanDerWaalsContact C-N 3.35Å; V754-S756 PolarHBondContact O-N 2.71Å; V754-K757 WeakPolarHBondContact O-CB 3.43Å; V754-K757 PolarHBondContact O-N 3.12Å; V754-I758 HydrophobicContact CG1-CD1 3.66Å; V754-I758 HydrophobicContact CG1-CG1 4.39Å; V754-I758 VanDerWaalsContact O-CG1 3.31Å; V754-I758 WeakPolarHBondContact O-CG1 3.38Å; V754-I758 PolarHBondContact O-N 3.31Å; V754-L855 HydrophobicContact CG1-CD1 4.16Å; V754-D858 HydrophobicContact CG2-CB 3.42Å; V754-D858 VanDerWaalsContact CG2-CB 3.42Å; V754-V859 HydrophobicContact CG1-CG2 3.6Å; V754-L862 HydrophobicContact CB-CD1 4.04Å; V754-L862 HydrophobicContact CG1-CD1 4.18Å; V754-L862 HydrophobicContact CG2-CD1 3.86Å; V754-I899 HydrophobicContact CG1-CG2 3.66Å
755N96.4Very high96.1Very high58 Ų5845.2 Ų45.231%0.3125%0.246SC..Hα-helixtrans-59.9-43.4179.5-172.537.1000111.9L751 N752 K757 I758 I759 I899L751-N755 WeakPolarHBondContact O-CB 3.39Å; L751-N755 PolarHBondContact O-N 2.87Å; N752-N755 PolarHBondContact O-N 3.34Å; N755-K757 PolarHBondContact O-N 2.77Å; N755-I758 PolarHBondContact O-N 3.05Å; N755-I759 WeakPolarHBondContact O-CB 3.42Å; N755-I759 VanDerWaalsContact O-CG1 3.31Å; N755-I759 WeakPolarHBondContact O-CG1 3.48Å; N755-I759 PolarHBondContact O-N 3.28Å; N755-I899 HydrophobicContact CB-CD1 3.81Å
756S95.4Very high96Very high78 Ų7847.2 Ų47.255%0.54526%0.256SS..Hα-helixtrans-60.2-42.8175.4-63.50000112.7N752 V754 I759 A760N752-S756 WeakPolarHBondContact O-CB 3.44Å; N752-S756 PolarHBondContact O-N 3.34Å; N752-S756 PolarHBondContact O-OG 2.85Å; N752-S756 VanDerWaalsContact O-OG 3.06Å; V754-S756 VanDerWaalsContact C-N 3.35Å; V754-S756 PolarHBondContact O-N 2.71Å; S756-I759 PolarHBondContact O-N 3.47Å; S756-A760 WeakPolarHBondContact O-CB 3.39Å; S756-A760 PolarHBondContact O-N 3.11Å
757K95.5Very high96Very high47 Ų4746.4 Ų46.420%0.20425%0.252CS..Hα-helixtrans-62.2-43.9175.4-69.8171.5-173.8179.10111.9V753 V754 N755 A760 V761 V850 L855 D858V753-K757 HydrophobicContact CG1-CD 4.37Å; V753-K757 WeakPolarHBondContact O-CG 3.39Å; V753-K757 PolarHBondContact O-N 2.95Å; V753-K757 VanDerWaalsContact O-N 3.15Å; V754-K757 WeakPolarHBondContact O-CB 3.43Å; V754-K757 PolarHBondContact O-N 3.12Å; N755-K757 PolarHBondContact O-N 2.77Å; K757-A760 PolarHBondContact O-N 2.72Å; K757-V761 PolarHBondContact O-N 3.14Å; K757-V761 VanDerWaalsContact O-N 3.16Å; K757-V850 HydrophobicContact CB-CG1 4.01Å; K757-V850 HydrophobicContact CB-CG2 4.17Å; K757-V850 HydrophobicContact CG-CG1 4.29Å; K757-V850 HydrophobicContact CG-CG2 4.24Å; K757-L855 HydrophobicContact CB-CD1 3.84Å; K757-L855 HydrophobicContact CB-CD2 4.31Å; K757-L855 HydrophobicContact CD-CD1 4.1Å; K757-D858 IonicContact NZ-OD2 2.7Å; K757-D858 PolarHBondContact NZ-OD2 3.31Å
758I96.9Very high95.9Very high1 Ų146.5 Ų46.51%0.00525%0.252CS..Hα-helixtrans-61.6-49.7177.8-67.1166.1000110.7V754 N755 A760 V761 R762 L855 I899 E902 A903 A906V754-I758 HydrophobicContact CG1-CD1 3.66Å; V754-I758 HydrophobicContact CG1-CG1 4.39Å; V754-I758 VanDerWaalsContact O-CG1 3.31Å; V754-I758 WeakPolarHBondContact O-CG1 3.38Å; V754-I758 PolarHBondContact O-N 3.31Å; N755-I758 PolarHBondContact O-N 3.05Å; I758-A760 VanDerWaalsContact C-N 3.33Å; I758-A760 PolarHBondContact O-N 3.26Å; I758-V761 PolarHBondContact O-N 3.32Å; I758-R762 VanDerWaalsContact O-CB 3.25Å; I758-R762 WeakPolarHBondContact O-CB 3.24Å; I758-R762 PolarHBondContact O-N 3.27Å; I758-L855 HydrophobicContact CG1-CD1 4.08Å; I758-L855 HydrophobicContact CG1-CD2 4.38Å; I758-I899 HydrophobicContact CD1-CD1 4.36Å; I758-I899 HydrophobicContact CD1-CG2 3.95Å; I758-E902 HydrophobicContact CG2-CB 4.19Å; I758-A903 HydrophobicContact CD1-CB 3.74Å; I758-A903 HydrophobicContact CG1-CB 4.09Å; I758-A906 HydrophobicContact CG2-CB 3.93Å
759I95.8Very high95.8Very high90 Ų9046.2 Ų46.246%0.46225%0.25SC..Hα-helixtrans-61.3-42179.4-68.8167.6000110.8N755 S756 R762 S763N755-I759 WeakPolarHBondContact O-CB 3.42Å; N755-I759 VanDerWaalsContact O-CG1 3.31Å; N755-I759 WeakPolarHBondContact O-CG1 3.48Å; N755-I759 PolarHBondContact O-N 3.28Å; S756-I759 PolarHBondContact O-N 3.47Å; I759-R762 PolarHBondContact O-N 2.87Å; I759-S763 WeakPolarHBondContact O-CB 3.29Å; I759-S763 PolarHBondContact O-N 3.27Å
760A95.6Very high95.8Very high14 Ų1445.9 Ų45.912%0.11625%0.248CC..Hα-helixtrans-59.1-52.9178.100000111.9S756 K757 I758 S763 A764 E846 V850S756-A760 WeakPolarHBondContact O-CB 3.39Å; S756-A760 PolarHBondContact O-N 3.11Å; K757-A760 PolarHBondContact O-N 2.72Å; I758-A760 VanDerWaalsContact C-N 3.33Å; I758-A760 PolarHBondContact O-N 3.26Å; A760-S763 PolarHBondContact O-N 3Å; A760-A764 VanDerWaalsContact O-CB 3.29Å; A760-A764 WeakPolarHBondContact O-CB 3.44Å; A760-A764 PolarHBondContact O-N 3.27Å; A760-E846 HydrophobicContact CB-CB 3.97Å; A760-V850 HydrophobicContact CB-CG2 4.46Å
761V96.4Very high95.8Very high7 Ų742.7 Ų42.74%0.04223%0.231CC..Hα-helixtrans-61.5-46.5178.2175.50000111.1K757 I758 S763 S765 V850 F910 P926K757-V761 PolarHBondContact O-N 3.14Å; K757-V761 VanDerWaalsContact O-N 3.16Å; I758-V761 PolarHBondContact O-N 3.32Å; V761-S763 PolarHBondContact O-N 3.46Å; V761-S765 VanDerWaalsContact O-CB 3.28Å; V761-S765 WeakPolarHBondContact O-CB 3.48Å; V761-S765 PolarHBondContact O-N 3.28Å; V761-S765 PolarHBondContact O-OG 3.3Å; V761-V850 HydrophobicContact CG2-CB 3.98Å; V761-V850 HydrophobicContact CG2-CG1 3.93Å; V761-V850 HydrophobicContact CG2-CG2 4.14Å; V761-F910 HydrophobicContact CG1-CB 4.02Å; V761-F910 HydrophobicContact CG1-CD2 4.46Å; V761-F910 HydrophobicContact CG1-CG 4.41Å; V761-P926 HydrophobicContact CG1-CG 4.36Å; V761-P926 HydrophobicContact CG2-CB 4.17Å; V761-P926 HydrophobicContact CG2-CG 4.36Å
762R95.2Very high95.6Very high86 Ų8646.6 Ų46.633%0.32526%0.259SS..Hα-helixtrans-60.5-46179.4-175.4177169151.5-1.8112I758 I759 L766 E902 A906 M909I758-R762 VanDerWaalsContact O-CB 3.25Å; I758-R762 WeakPolarHBondContact O-CB 3.24Å; I758-R762 PolarHBondContact O-N 3.27Å; I759-R762 PolarHBondContact O-N 2.87Å; R762-L766 WeakPolarHBondContact O-CB 3.28Å; R762-L766 PolarHBondContact O-N 2.84Å; R762-E902 IonicContact CZ-OE2 2.83Å; R762-E902 IonicContact NH1-OE1 3.77Å; R762-E902 PolarHBondContact NH1-OE1 3.03Å; R762-E902 IonicContact NH1-OE2 2.83Å; R762-E902 PolarHBondContact NH1-OE2 3.35Å; R762-A906 HydrophobicContact CB-CB 4.05Å; R762-M909 HydrophobicContact CG-CE 3.64Å; R762-M909 HydrophobicContact CG-SD 4.14Å
763S95.4Very high95.6Very high46 Ų4644.3 Ų44.332%0.32225%0.245SC..Hα-helixtrans-66.8-49-179.5-178.20000111.4I759 A760 V761 S765 L766 A767I759-S763 WeakPolarHBondContact O-CB 3.29Å; I759-S763 PolarHBondContact O-N 3.27Å; A760-S763 PolarHBondContact O-N 3Å; V761-S763 PolarHBondContact O-N 3.46Å; S763-S765 PolarHBondContact O-N 2.92Å; S763-L766 PolarHBondContact O-N 3.39Å; S763-A767 VanDerWaalsContact O-CB 3.25Å; S763-A767 WeakPolarHBondContact O-CB 3.44Å; S763-A767 PolarHBondContact O-N 2.91Å
764A97Very high95.7Very high0 Ų040.8 Ų40.80%022%0.223CC..Hα-helixtrans-61.4-41178.500000112.6A760 L766 L768 V844 A847 F930A760-A764 VanDerWaalsContact O-CB 3.29Å; A760-A764 WeakPolarHBondContact O-CB 3.44Å; A760-A764 PolarHBondContact O-N 3.27Å; A764-L766 VanDerWaalsContact C-N 3.34Å; A764-L766 PolarHBondContact O-N 3.22Å; A764-L768 VanDerWaalsContact O-CB 3.28Å; A764-L768 WeakPolarHBondContact O-CB 3.24Å; A764-L768 PolarHBondContact O-N 2.98Å; A764-V844 HydrophobicContact CB-CB 4.49Å; A764-V844 HydrophobicContact CB-CG2 3.94Å; A764-A847 HydrophobicContact CB-CB 3.41Å; A764-A847 VanDerWaalsContact CB-CB 3.41Å; A764-F930 HydrophobicContact CB-CD1 4.12Å; A764-F930 HydrophobicContact CB-CE1 3.61Å; A764-F930 HydrophobicContact CB-CE2 4.11Å; A764-F930 HydrophobicContact CB-CZ 3.61Å
765S96.6Very high95.7Very high0 Ų048.6 Ų48.60%025%0.252CS..Hα-helixtrans-61.5-39.1175.3-92.50000113.5V761 S763 K769 F910 T913V761-S765 VanDerWaalsContact O-CB 3.28Å; V761-S765 WeakPolarHBondContact O-CB 3.48Å; V761-S765 PolarHBondContact O-N 3.28Å; V761-S765 PolarHBondContact O-OG 3.3Å; S763-S765 PolarHBondContact O-N 2.92Å; S765-K769 WeakPolarHBondContact O-CB 3.44Å; S765-K769 PolarHBondContact O-N 3.46Å; S765-F910 VanDerWaalsContact OG-CA 3.29Å; S765-F910 WeakPolarHBondContact OG-CA 3.43Å; S765-T913 VanDerWaalsContact CB-OG1 3.25Å; S765-T913 WeakPolarHBondContact CB-OG1 3.35Å; S765-T913 PolarHBondContact O-OG1 3.01Å; S765-T913 PolarHBondContact OG-OG1 3.22Å; S765-T913 VanDerWaalsContact OG-OG1 3.11Å
766L95.1Very high95.6Very high85 Ų8547.1 Ų47.145%0.44525%0.248SC..Hα-helixtrans-75-47.1178.7-174.963.7000111.5R762 S763 A764 K769 N770 M909R762-L766 WeakPolarHBondContact O-CB 3.28Å; R762-L766 PolarHBondContact O-N 2.84Å; S763-L766 PolarHBondContact O-N 3.39Å; A764-L766 VanDerWaalsContact C-N 3.34Å; A764-L766 PolarHBondContact O-N 3.22Å; L766-K769 PolarHBondContact O-N 2.95Å; L766-N770 WeakPolarHBondContact CD1-ND2 3.4Å; L766-N770 WeakPolarHBondContact O-CB 3.42Å; L766-N770 VanDerWaalsContact O-CG 3.31Å; L766-N770 PolarHBondContact O-N 3.44Å; L766-M909 HydrophobicContact CB-SD 4Å
767A96.3Very high95.6Very high13 Ų1343.4 Ų43.411%0.10722%0.222CC..Hα-helixtrans-56.2-52.4178.500000111.5S763 K769 N770 S771 E840S763-A767 VanDerWaalsContact O-CB 3.25Å; S763-A767 WeakPolarHBondContact O-CB 3.44Å; S763-A767 PolarHBondContact O-N 2.91Å; A767-K769 VanDerWaalsContact C-N 3.31Å; A767-K769 PolarHBondContact O-N 3.36Å; A767-N770 PolarHBondContact O-N 2.92Å; A767-S771 WeakPolarHBondContact O-CB 3.39Å; A767-S771 PolarHBondContact O-N 3.49Å; A767-E840 WeakPolarHBondContact CB-O 3.39Å
768L95.5Very high95.7Very high2 Ų242.4 Ų42.41%0.0122%0.219CC..Hα-helixtrans-63.7-34.3-179.7-167.771.8000113.1A764 F774 L841 T913 F917 F929 F930 I933A764-L768 VanDerWaalsContact O-CB 3.28Å; A764-L768 WeakPolarHBondContact O-CB 3.24Å; A764-L768 PolarHBondContact O-N 2.98Å; L768-F774 HydrophobicContact CD1-CD1 3.58Å; L768-F774 HydrophobicContact CD1-CE1 3.58Å; L768-F774 HydrophobicContact CD1-CG 4.29Å; L768-F774 HydrophobicContact CD1-CZ 4.29Å; L768-F774 HydrophobicContact CG-CD1 4.36Å; L768-F774 HydrophobicContact CG-CE1 4.33Å; L768-L841 HydrophobicContact CB-CD2 4.37Å; L768-L841 HydrophobicContact CD1-CD1 4.22Å; L768-L841 HydrophobicContact CD1-CD2 3.67Å; L768-T913 HydrophobicContact CD2-CG2 4.18Å; L768-F917 HydrophobicContact CB-CE2 4.48Å; L768-F917 HydrophobicContact CD1-CZ 4.49Å; L768-F917 HydrophobicContact CD2-CD2 4.13Å; L768-F917 HydrophobicContact CD2-CE2 3.6Å; L768-F917 HydrophobicContact CD2-CZ 4.12Å; L768-F917 HydrophobicContact CG-CE2 3.62Å; L768-F917 HydrophobicContact CG-CZ 3.77Å; L768-F929 HydrophobicContact CD2-CE1 3.53Å; L768-F929 HydrophobicContact CD2-CZ 3.89Å; L768-F930 HydrophobicContact CD2-CE1 4.31Å; L768-I933 HydrophobicContact CD1-CD1 4.26Å; L768-I933 HydrophobicContact CD1-CG1 4.2Å; L768-I933 HydrophobicContact CD1-CG2 4.01Å; L768-I933 HydrophobicContact CD2-CD1 4.33Å; L768-I933 HydrophobicContact CD2-CG1 4.08Å
769K93.6Very high95.5Very high77 Ų7748.3 Ų48.334%0.33525%0.247SC..Hα-helixtrans-76.3-31.5178.4-174.7168.3-179.8168.80112.9S765 L766 A767 W916S765-K769 WeakPolarHBondContact O-CB 3.44Å; S765-K769 PolarHBondContact O-N 3.46Å; L766-K769 PolarHBondContact O-N 2.95Å; A767-K769 VanDerWaalsContact C-N 3.31Å; A767-K769 PolarHBondContact O-N 3.36Å; K769-W916 HydrophobicContact CD-CD2 4.36Å; K769-W916 HydrophobicContact CD-CG 4.38Å; K769-W916 HydrophobicContact CG-CD2 4.25Å; K769-W916 HydrophobicContact CG-CG 4.27Å
770N94.2Very high95.4Very high106 Ų10645 Ų4557%0.56723%0.229SC*.Hα-helixtrans-91.6-13.6-178-69.3-6.2000113.8L766 A767 C772L766-N770 WeakPolarHBondContact CD1-ND2 3.4Å; L766-N770 WeakPolarHBondContact O-CB 3.42Å; L766-N770 VanDerWaalsContact O-CG 3.31Å; L766-N770 PolarHBondContact O-N 3.44Å; A767-N770 PolarHBondContact O-N 2.92Å; N770-C772 PolarHBondContact O-N 3Å
771S95.9Very high95.4Very high7 Ų744.8 Ų44.85%0.04923%0.226CC..  trans-67.3105.8-178.4177.30000112.3A767 K773 F774 R775 E840A767-S771 WeakPolarHBondContact O-CB 3.39Å; A767-S771 PolarHBondContact O-N 3.49Å; S771-K773 VanDerWaalsContact C-N 3.3Å; S771-F774 VanDerWaalsContact OG-CB 3.32Å; S771-F774 WeakPolarHBondContact OG-CB 3.42Å; S771-F774 PolarHBondContact OG-N 3.43Å; S771-R775 PolarHBondContact O-N 3.49Å; S771-E840 VanDerWaalsContact CA-OE2 3.23Å; S771-E840 WeakPolarHBondContact CA-OE2 3.41Å; S771-E840 WeakPolarHBondContact CB-OE2 3.41Å; S771-E840 WeakPolarHBondContact OG-CB 3.42Å; S771-E840 PolarHBondContact OG-OE2 3.06Å
772C93.9Very high95.1Very high96 Ų9646.3 Ų46.365%0.64923%0.234SC*.Hα-helixtrans-65.2-36171.9-68.30000111.2N770 A776 E840N770-C772 PolarHBondContact O-N 3Å; C772-A776 PolarHBondContact O-N 3.24Å; C772-A776 VanDerWaalsContact O-N 3.1Å; C772-E840 PolarHBondContact N-OE2 3.26Å
773K96.4Very high94.7Very high40 Ų4045 Ų4517%0.17424%0.242CC..Hα-helixtrans-68.2-46.3179.2-65.7179.1-174-1730111.8S771 R775 A776 I777 A833 L834 N836 F837 E840S771-K773 VanDerWaalsContact C-N 3.3Å; K773-R775 VanDerWaalsContact C-N 3.29Å; K773-R775 PolarHBondContact O-N 3.2Å; K773-A776 PolarHBondContact O-N 2.89Å; K773-A776 VanDerWaalsContact O-N 3.08Å; K773-I777 WeakPolarHBondContact O-CG1 3.48Å; K773-I777 PolarHBondContact O-N 3.25Å; K773-A833 WeakPolarHBondContact CD-O 3.31Å; K773-A833 VanDerWaalsContact CE-O 3.22Å; K773-A833 WeakPolarHBondContact CE-O 3.42Å; K773-A833 PolarHBondContact NZ-O 3.49Å; K773-L834 HydrophobicContact CB-CD2 3.98Å; K773-L834 HydrophobicContact CG-CD2 3.91Å; K773-N836 VanDerWaalsContact NZ-CG 3.3Å; K773-N836 PolarHBondContact NZ-ND2 3.36Å; K773-N836 PolarHBondContact NZ-O 3.44Å; K773-N836 PolarHBondContact NZ-OD1 3.49Å; K773-F837 HydrophobicContact CB-CB 3.54Å; K773-F837 HydrophobicContact CD-CB 4.32Å; K773-E840 HydrophobicContact CD-CG 4.28Å; K773-E840 WeakPolarHBondContact CD-OE1 3.37Å; K773-E840 WeakPolarHBondContact CE-OE1 3.29Å; K773-E840 VanDerWaalsContact CG-OE1 3.28Å; K773-E840 WeakPolarHBondContact CG-OE1 3.29Å; K773-E840 PolarHBondContact N-OE2 3.19Å; K773-E840 VanDerWaalsContact N-OE2 3.12Å
774F96.8Very high94.5Very high1 Ų145.2 Ų45.20%0.00424%0.237CC..Hα-helixtrans-61.7-38.5177.9-175.4-117.2000111.8L768 S771 A776 I777 L778 L801 L804 F837 L841 F917 I933 F936L768-F774 HydrophobicContact CD1-CD1 3.58Å; L768-F774 HydrophobicContact CD1-CE1 3.58Å; L768-F774 HydrophobicContact CD1-CG 4.29Å; L768-F774 HydrophobicContact CD1-CZ 4.29Å; L768-F774 HydrophobicContact CG-CD1 4.36Å; L768-F774 HydrophobicContact CG-CE1 4.33Å; S771-F774 VanDerWaalsContact OG-CB 3.32Å; S771-F774 WeakPolarHBondContact OG-CB 3.42Å; S771-F774 PolarHBondContact OG-N 3.43Å; F774-A776 PolarHBondContact O-N 3.01Å; F774-I777 WeakPolarHBondContact O-CB 3.29Å; F774-I777 PolarHBondContact O-N 2.98Å; F774-L778 HydrophobicContact CD1-CD1 4.16Å; F774-L778 HydrophobicContact CE1-CD1 3.72Å; F774-L778 HydrophobicContact CE1-CG 4.25Å; F774-L778 HydrophobicContact CE2-CD2 4.36Å; F774-L778 HydrophobicContact CE2-CG 4.44Å; F774-L778 HydrophobicContact CZ-CD1 4.05Å; F774-L778 HydrophobicContact CZ-CD2 4.04Å; F774-L778 HydrophobicContact CZ-CG 4.15Å; F774-L778 WeakPolarHBondContact O-CG 3.42Å; F774-L778 PolarHBondContact O-N 3.06Å; F774-L778 VanDerWaalsContact O-N 3.08Å; F774-L801 HydrophobicContact CZ-CD2 4.43Å; F774-L804 HydrophobicContact CZ-CD1 4.44Å; F774-F837 HydrophobicContact CB-CD2 4.28Å; F774-F837 AromaticContact CD2-CD2 3.84Å; F774-F837 HydrophobicContact CD2-CD2 3.84Å; F774-F837 AromaticContact CD2-CE2 3.77Å; F774-F837 HydrophobicContact CD2-CE2 3.77Å; F774-F837 HydrophobicContact CE2-CE2 4.33Å; F774-L841 HydrophobicContact CB-CD1 4.34Å; F774-L841 HydrophobicContact CB-CD2 4.29Å; F774-L841 HydrophobicContact CD2-CD1 4.14Å; F774-L841 HydrophobicContact CG-CD1 4.23Å; F774-F917 HydrophobicContact CD1-CE1 4.15Å; F774-F917 HydrophobicContact CD1-CZ 4.1Å; F774-F917 AromaticContact CE1-CE1 3.71Å; F774-F917 HydrophobicContact CE1-CE1 3.71Å; F774-F917 AromaticContact CE1-CZ 3.93Å; F774-F917 HydrophobicContact CE1-CZ 3.93Å; F774-I933 HydrophobicContact CE1-CD1 4.22Å; F774-I933 HydrophobicContact CZ-CD1 3.75Å; F774-F936 HydrophobicContact CE2-CD1 4.04Å; F774-F936 HydrophobicContact CE2-CE1 4.02Å
775R95.5Very high93.9Very high166 Ų16646.4 Ų46.463%0.62625%0.249SC*.Hα-helixtrans-56.9-47.3170.9178.9-175.4169.8117.33.7112.1S771 K773 I777 L778 E779S771-R775 PolarHBondContact O-N 3.49Å; K773-R775 VanDerWaalsContact C-N 3.29Å; K773-R775 PolarHBondContact O-N 3.2Å; R775-I777 PolarHBondContact O-N 3.02Å; R775-L778 PolarHBondContact O-N 3.22Å; R775-E779 PolarHBondContact O-N 2.79Å
776A94.6Very high93.2Very high27 Ų2747.8 Ų47.822%0.22326%0.257CS..Hα-helixtrans-65.1-36.7179.100000112.7C772 K773 F774 L778 E779 I780 L834C772-A776 PolarHBondContact O-N 3.24Å; C772-A776 VanDerWaalsContact O-N 3.1Å; K773-A776 PolarHBondContact O-N 2.89Å; K773-A776 VanDerWaalsContact O-N 3.08Å; F774-A776 PolarHBondContact O-N 3.01Å; A776-L778 PolarHBondContact O-N 3.03Å; A776-E779 PolarHBondContact O-N 3.46Å; A776-I780 WeakPolarHBondContact O-CG1 3.42Å; A776-I780 PolarHBondContact O-N 3.47Å; A776-L834 HydrophobicContact CB-CD1 3.71Å; A776-L834 HydrophobicContact CB-CD2 3.87Å; A776-L834 HydrophobicContact CB-CG 4.47Å
777I96.2Very high92.4Very high0 Ų053.4 Ų53.40%027%0.274CS..Hα-helixtrans-58.8-46172.1-65.4-71.3000111K773 F774 R775 E779 I780 I781 I827 L834 F837 F936 F940K773-I777 WeakPolarHBondContact O-CG1 3.48Å; K773-I777 PolarHBondContact O-N 3.25Å; F774-I777 WeakPolarHBondContact O-CB 3.29Å; F774-I777 PolarHBondContact O-N 2.98Å; R775-I777 PolarHBondContact O-N 3.02Å; I777-E779 VanDerWaalsContact C-N 3.31Å; I777-E779 PolarHBondContact O-N 3.15Å; I777-I780 PolarHBondContact O-N 3.46Å; I777-I781 HydrophobicContact CG2-CD1 3.8Å; I777-I781 WeakPolarHBondContact O-CD1 3.42Å; I777-I781 VanDerWaalsContact O-CG1 3.29Å; I777-I781 WeakPolarHBondContact O-CG1 3.48Å; I777-I781 PolarHBondContact O-N 2.98Å; I777-I827 HydrophobicContact CD1-CD1 3.45Å; I777-I827 VanDerWaalsContact CD1-CD1 3.45Å; I777-I827 HydrophobicContact CD1-CG1 4.24Å; I777-I827 HydrophobicContact CD1-CG2 4.45Å; I777-L834 HydrophobicContact CD1-CB 3.93Å; I777-L834 HydrophobicContact CD1-CD1 4.42Å; I777-F837 HydrophobicContact CD1-CD1 4.04Å; I777-F837 HydrophobicContact CD1-CG 4.5Å; I777-F837 HydrophobicContact CG1-CB 4.07Å; I777-F837 HydrophobicContact CG1-CD1 3.92Å; I777-F837 HydrophobicContact CG1-CG 3.92Å; I777-F936 HydrophobicContact CG2-CE1 3.89Å; I777-F936 HydrophobicContact CG2-CZ 3.68Å; I777-F940 HydrophobicContact CD1-CE2 4.14Å; I777-F940 HydrophobicContact CD1-CZ 4.19Å
778L96.2Very high91.8Very high27 Ų2757.2 Ų57.214%0.14129%0.29CS..Hα-helixtrans-64.2-34.8177.1-64.9176.3000112.6F774 R775 A776 I781 L782 F799 L801 L804 F917F774-L778 HydrophobicContact CD1-CD1 4.16Å; F774-L778 HydrophobicContact CE1-CD1 3.72Å; F774-L778 HydrophobicContact CE1-CG 4.25Å; F774-L778 HydrophobicContact CE2-CD2 4.36Å; F774-L778 HydrophobicContact CE2-CG 4.44Å; F774-L778 HydrophobicContact CZ-CD1 4.05Å; F774-L778 HydrophobicContact CZ-CD2 4.04Å; F774-L778 HydrophobicContact CZ-CG 4.15Å; F774-L778 WeakPolarHBondContact O-CG 3.42Å; F774-L778 PolarHBondContact O-N 3.06Å; F774-L778 VanDerWaalsContact O-N 3.08Å; R775-L778 PolarHBondContact O-N 3.22Å; A776-L778 PolarHBondContact O-N 3.03Å; L778-I781 PolarHBondContact O-N 3.25Å; L778-L782 WeakPolarHBondContact O-CB 3.38Å; L778-L782 PolarHBondContact O-N 3.05Å; L778-F799 HydrophobicContact CB-CZ 4.23Å; L778-F799 HydrophobicContact CD2-CE2 3.84Å; L778-F799 HydrophobicContact CD2-CZ 3.71Å; L778-F799 WeakPolarHBondContact O-CE1 3.19Å; L778-L801 HydrophobicContact CD1-CD2 4.43Å; L778-L801 HydrophobicContact CD2-CD2 4.29Å; L778-L804 HydrophobicContact CD2-CD1 4.42Å; L778-L804 HydrophobicContact CD2-CD2 3.97Å; L778-F917 HydrophobicContact CD1-CD1 4.28Å; L778-F917 HydrophobicContact CD1-CE1 3.81Å
779E93.7Very high91.1Very high124 Ų12459.8 Ų59.858%0.57930%0.304SS*.Hα-helixtrans-67.1-41.6176.3-172.1168.5179.800112.2R775 A776 I777 L782 A783R775-E779 PolarHBondContact O-N 2.79Å; A776-E779 PolarHBondContact O-N 3.46Å; I777-E779 VanDerWaalsContact C-N 3.31Å; I777-E779 PolarHBondContact O-N 3.15Å; E779-L782 WeakPolarHBondContact O-CB 3.41Å; E779-L782 PolarHBondContact O-N 3.33Å; E779-A783 PolarHBondContact O-N 3.03Å
780I94Very high89.8Confident20 Ų2058.5 Ų58.510%0.10331%0.305CS..Hα-helixtrans-61.3-45.3172.5-67.6167.6000110.7A776 I777 L782 A783 F784 I823 I827 F831 L834A776-I780 WeakPolarHBondContact O-CG1 3.42Å; A776-I780 PolarHBondContact O-N 3.47Å; I777-I780 PolarHBondContact O-N 3.46Å; I780-L782 VanDerWaalsContact C-N 3.31Å; I780-L782 PolarHBondContact O-N 3.05Å; I780-A783 PolarHBondContact O-N 3.09Å; I780-F784 HydrophobicContact CG2-CD2 3.83Å; I780-F784 HydrophobicContact CG2-CE2 3.71Å; I780-F784 VanDerWaalsContact O-CD2 3.31Å; I780-F784 WeakPolarHBondContact O-CD2 3.29Å; I780-F784 PolarHBondContact O-N 2.9Å; I780-F784 VanDerWaalsContact O-N 3.08Å; I780-I823 HydrophobicContact CG2-CG2 4.2Å; I780-I827 HydrophobicContact CD1-CD1 4.48Å; I780-I827 HydrophobicContact CD1-CG1 3.89Å; I780-F831 HydrophobicContact CD1-CB 4.47Å; I780-F831 HydrophobicContact CD1-CD2 3.68Å; I780-F831 HydrophobicContact CD1-CE2 4.06Å; I780-F831 HydrophobicContact CD1-CG 4.05Å; I780-F831 HydrophobicContact CG1-CE2 4.44Å; I780-L834 HydrophobicContact CD1-CD1 3.7Å
781I94.5Very high88.1Confident10 Ų1058.6 Ų58.65%0.05131%0.314CS..Hα-helixtrans-62.2-39.6176.9-66.7160.8000111I777 L778 G785 F799 L804 L807 I823 F936I777-I781 HydrophobicContact CG2-CD1 3.8Å; I777-I781 WeakPolarHBondContact O-CD1 3.42Å; I777-I781 VanDerWaalsContact O-CG1 3.29Å; I777-I781 WeakPolarHBondContact O-CG1 3.48Å; I777-I781 PolarHBondContact O-N 2.98Å; L778-I781 PolarHBondContact O-N 3.25Å; I781-G785 PolarHBondContact O-N 3.16Å; I781-F799 HydrophobicContact CB-CE1 4.14Å; I781-F799 HydrophobicContact CB-CZ 3.92Å; I781-F799 HydrophobicContact CG2-CE1 3.75Å; I781-F799 HydrophobicContact CG2-CE2 4.28Å; I781-F799 HydrophobicContact CG2-CZ 3.54Å; I781-L804 HydrophobicContact CD1-CD2 3.67Å; I781-L807 HydrophobicContact CD1-CD1 3.83Å; I781-L807 HydrophobicContact CG1-CD1 4.07Å; I781-L807 HydrophobicContact CG2-CD1 4.19Å; I781-L807 HydrophobicContact CG2-CD2 4.11Å; I781-I823 HydrophobicContact CG1-CD1 4.19Å; I781-I823 HydrophobicContact CG1-CG2 4.41Å; I781-F936 HydrophobicContact CD1-CE2 4.25Å; I781-F936 HydrophobicContact CD1-CZ 4.03Å
782L90.9Very high86.7Confident39 Ų3969.4 Ų69.420%0.20435%0.353CS..Hα-helixtrans-63.1-42.1175.8-176.563.7000111.4L778 E779 I780 G785 N786 A796 F799L778-L782 WeakPolarHBondContact O-CB 3.38Å; L778-L782 PolarHBondContact O-N 3.05Å; E779-L782 WeakPolarHBondContact O-CB 3.41Å; E779-L782 PolarHBondContact O-N 3.33Å; I780-L782 VanDerWaalsContact C-N 3.31Å; I780-L782 PolarHBondContact O-N 3.05Å; L782-G785 PolarHBondContact O-N 3.23Å; L782-N786 WeakPolarHBondContact O-CB 3.41Å; L782-N786 PolarHBondContact O-N 3.37Å; L782-N786 PolarHBondContact O-ND2 2.65Å; L782-A796 HydrophobicContact CD1-CB 4.49Å; L782-F799 HydrophobicContact CB-CD1 4.36Å; L782-F799 HydrophobicContact CB-CE1 3.96Å; L782-F799 HydrophobicContact CD1-CD1 3.99Å; L782-F799 HydrophobicContact CD1-CE1 4.44Å
783A87.2Confident85.8Confident60 Ų6074.6 Ų74.650%0.49636%0.359SS..Hα-helixtrans-62.2-49.417800000112.1E779 I780 N786 Y787E779-A783 PolarHBondContact O-N 3.03Å; I780-A783 PolarHBondContact O-N 3.09Å; A783-N786 PolarHBondContact O-N 2.95Å; A783-Y787 WeakPolarHBondContact O-CB 3.29Å; A783-Y787 PolarHBondContact O-N 2.96Å
784F91.4Very high84.5Confident49 Ų4974.4 Ų74.422%0.21537%0.369CS..Hα-helixtrans-63.5-43.9175.1-78.2-66.9000112.4I780 N786 Y787 M788 F822 I823 T826I780-F784 HydrophobicContact CG2-CD2 3.83Å; I780-F784 HydrophobicContact CG2-CE2 3.71Å; I780-F784 VanDerWaalsContact O-CD2 3.31Å; I780-F784 WeakPolarHBondContact O-CD2 3.29Å; I780-F784 PolarHBondContact O-N 2.9Å; I780-F784 VanDerWaalsContact O-N 3.08Å; F784-N786 VanDerWaalsContact C-N 3.33Å; F784-N786 PolarHBondContact O-N 2.93Å; F784-Y787 PolarHBondContact O-N 3.31Å; F784-M788 WeakPolarHBondContact O-CG 3.44Å; F784-M788 PolarHBondContact O-N 3.23Å; F784-F822 HydrophobicContact CD1-CE1 4.5Å; F784-F822 AromaticContact CE1-CD1 3.98Å; F784-F822 HydrophobicContact CE1-CD1 3.98Å; F784-F822 AromaticContact CE1-CE1 3.51Å; F784-F822 HydrophobicContact CE1-CE1 3.51Å; F784-F822 AromaticContact CZ-CD1 3.98Å; F784-F822 HydrophobicContact CZ-CD1 3.98Å; F784-F822 AromaticContact CZ-CE1 3.6Å; F784-F822 HydrophobicContact CZ-CE1 3.6Å; F784-I823 HydrophobicContact CB-CD1 4.43Å; F784-I823 HydrophobicContact CD2-CD1 4.17Å; F784-I823 HydrophobicContact CD2-CG1 3.67Å; F784-I823 HydrophobicContact CE2-CG1 4.01Å; F784-I823 HydrophobicContact CG-CG1 4.25Å; F784-T826 HydrophobicContact CE2-CG2 4.23Å; F784-T826 HydrophobicContact CZ-CG2 4.05Å
785G84.4Confident83.5Confident25 Ų2579.8 Ų79.826%0.25840%0.396SS..Hα-helixtrans-57.3-44.8176.200000112.3I781 L782 N789I781-G785 PolarHBondContact O-N 3.16Å; L782-G785 PolarHBondContact O-N 3.23Å; G785-N789 VanDerWaalsContact O-CB 3.29Å; G785-N789 WeakPolarHBondContact O-CB 3.48Å; G785-N789 PolarHBondContact O-N 3.07Å; G785-N789 PolarHBondContact O-ND2 2.76Å
786N80Confident82.6Confident30 Ų3073.9 Ų73.916%0.1638%0.384CS..Hα-helixtrans-65.5-46.8175.3-81.2-27.6000112.2L782 A783 F784 M788 N789 S790 A796L782-N786 WeakPolarHBondContact O-CB 3.41Å; L782-N786 PolarHBondContact O-N 3.37Å; L782-N786 PolarHBondContact O-ND2 2.65Å; A783-N786 PolarHBondContact O-N 2.95Å; F784-N786 VanDerWaalsContact C-N 3.33Å; F784-N786 PolarHBondContact O-N 2.93Å; N786-M788 VanDerWaalsContact C-N 3.31Å; N786-M788 PolarHBondContact O-N 3.4Å; N786-N789 PolarHBondContact O-N 3.48Å; N786-S790 VanDerWaalsContact O-CB 3.27Å; N786-S790 WeakPolarHBondContact O-CB 3.38Å; N786-S790 PolarHBondContact O-N 3.36Å; N786-S790 PolarHBondContact O-OG 3.05Å; N786-A796 PolarHBondContact ND2-O 3.37Å; N786-A796 PolarHBondContact OD1-N 3.41Å; N786-A796 PolarHBondContact OD1-O 3.11Å
787Y79.2Confident82Confident203 Ų20382.9 Ų82.980%0.79641%0.413SS*.Hα-helixtrans-56.9-44.7178.8-173.9-95.1000112A783 F784A783-Y787 WeakPolarHBondContact O-CB 3.29Å; A783-Y787 PolarHBondContact O-N 2.96Å; F784-Y787 PolarHBondContact O-N 3.31Å
788M84.2Confident81.6Confident92 Ų9285.2 Ų85.245%0.45344%0.437SS..Hα-helixtrans-70.8-37179.4-67177.27200113.7F784 N786 T810 L819F784-M788 WeakPolarHBondContact O-CG 3.44Å; F784-M788 PolarHBondContact O-N 3.23Å; N786-M788 VanDerWaalsContact C-N 3.31Å; N786-M788 PolarHBondContact O-N 3.4Å; M788-T810 HydrophobicContact CE-CG2 4.1Å; M788-L819 HydrophobicContact CE-CD2 4.42Å; M788-L819 HydrophobicContact SD-CD1 3.84Å; M788-L819 HydrophobicContact SD-CD2 3.81Å; M788-L819 HydrophobicContact SD-CG 4.48Å
789N79.2Confident81.4Confident57 Ų5786.8 Ų86.831%0.30544%0.443SS..Hα-helixtrans-100.3-18.8-168.8-70.1-81.4000115G785 N786 S791 R792 R793G785-N789 VanDerWaalsContact O-CB 3.29Å; G785-N789 WeakPolarHBondContact O-CB 3.48Å; G785-N789 PolarHBondContact O-N 3.07Å; G785-N789 PolarHBondContact O-ND2 2.76Å; N786-N789 PolarHBondContact O-N 3.48Å; N789-S791 PolarHBondContact O-N 3.43Å; N789-S791 VanDerWaalsContact O-N 3.09Å; N789-R792 PolarHBondContact O-N 2.98Å; N789-R793 HydrophobicContact CB-CB 4.33Å; N789-R793 PolarHBondContact O-N 3.1Å; N789-R793 PolarHBondContact OD1-NH1 3.49Å
790S67.7Low81.3Confident49 Ų4985.1 Ų85.134%0.34343%0.431SS..Hα-helixtrans-54.1-37-170.9-70.90000114N786 R792 G794N786-S790 VanDerWaalsContact O-CB 3.27Å; N786-S790 WeakPolarHBondContact O-CB 3.38Å; N786-S790 PolarHBondContact O-N 3.36Å; N786-S790 PolarHBondContact O-OG 3.05Å; S790-R792 VanDerWaalsContact C-N 3.27Å; S790-R792 PolarHBondContact O-N 3.17Å; S790-G794 WeakPolarHBondContact CA-O 3.29Å; S790-G794 PolarHBondContact O-N 2.87Å
791S57.4Low81.3Confident109 Ų10984.3 Ų84.376%0.76243%0.427SS*.Hα-helixtrans-68.8-17.6-178.460.60000115N789N789-S791 PolarHBondContact O-N 3.43Å; N789-S791 VanDerWaalsContact O-N 3.09Å
792R68Low81.1Confident233 Ų23389 Ų8988%0.87945%0.449SS*.Hα-helixtrans-127.2-25.8-177.2-66-170.9-179.9-165.41114.8N789 S790N789-R792 PolarHBondContact O-N 2.98Å; S790-R792 VanDerWaalsContact C-N 3.27Å; S790-R792 PolarHBondContact O-N 3.17Å
793R73.9Confident81.2Confident205 Ų20589.7 Ų89.777%0.77446%0.457SS*.Hα-helixtrans-124.6-1-174.3-63.2-179.5172.7168.9-5.9113.6N789N789-R793 HydrophobicContact CB-CB 4.33Å; N789-R793 PolarHBondContact O-N 3.1Å; N789-R793 PolarHBondContact OD1-NH1 3.49Å
794G68.6Low81.6Confident36 Ų3687 Ų8737%0.37143%0.434SS..  trans73.7-173.7-173.400000113.3S790S790-G794 WeakPolarHBondContact CA-O 3.29Å; S790-G794 PolarHBondContact O-N 2.87Å
795I76.5Confident81.6Confident114 Ų11486.5 Ų86.559%0.58543%0.434SS*.  trans-88.8135-177.4-60.7170.6000109.6
796A77.5Confident82Confident43 Ų4387.5 Ų87.536%0.35544%0.439SS..  trans-103143.7170.700000111.2L782 N786L782-A796 HydrophobicContact CD1-CB 4.49Å; N786-A796 PolarHBondContact ND2-O 3.37Å; N786-A796 PolarHBondContact OD1-N 3.41Å; N786-A796 PolarHBondContact OD1-O 3.11Å
797Y82.2Confident82.6Confident216 Ų21686.7 Ų86.785%0.84744%0.435SS*.SBendtrans-97.8-3.2175.1-63.7-80.8000113.4
798G87.3Confident83.2Confident48 Ų4878.4 Ų78.450%0.49541%0.407SS..  trans179.1169.3-179.800000110.6
799F91.5Very high83.5Confident61 Ų6178.7 Ų78.727%0.26841%0.41SS..  trans-142.1155.917956-98.6000110.9L778 I781 L782 L804L778-F799 HydrophobicContact CB-CZ 4.23Å; L778-F799 HydrophobicContact CD2-CE2 3.84Å; L778-F799 HydrophobicContact CD2-CZ 3.71Å; L778-F799 WeakPolarHBondContact O-CE1 3.19Å; I781-F799 HydrophobicContact CB-CE1 4.14Å; I781-F799 HydrophobicContact CB-CZ 3.92Å; I781-F799 HydrophobicContact CG2-CE1 3.75Å; I781-F799 HydrophobicContact CG2-CE2 4.28Å; I781-F799 HydrophobicContact CG2-CZ 3.54Å; L782-F799 HydrophobicContact CB-CD1 4.36Å; L782-F799 HydrophobicContact CB-CE1 3.96Å; L782-F799 HydrophobicContact CD1-CD1 3.99Å; L782-F799 HydrophobicContact CD1-CE1 4.44Å; F799-L804 HydrophobicContact CE2-CD2 4.14Å
800R92.8Very high83.9Confident88 Ų8878.6 Ų78.633%0.33241%0.412SS..  trans-69.1142.8172.5-68.2-70-178.9130.91.2110.7Q802 S803 G918 E919R800-Q802 PolarHBondContact O-N 3.21Å; R800-Q802 VanDerWaalsContact O-N 3.09Å; R800-S803 VanDerWaalsContact O-CB 3.24Å; R800-S803 WeakPolarHBondContact O-CB 3.44Å; R800-S803 PolarHBondContact O-N 3.25Å; R800-S803 PolarHBondContact O-OG 3.2Å; R800-S803 VanDerWaalsContact O-OG 3.08Å; R800-G918 PolarHBondContact NE-O 3.5Å; R800-G918 PolarHBondContact NH1-O 3.37Å; R800-G918 VanDerWaalsContact NH1-O 3.07Å; R800-G918 PolarHBondContact NH2-O 2.97Å; R800-E919 WeakPolarHBondContact CA-OE1 3.46Å; R800-E919 WeakPolarHBondContact CB-OE1 3.45Å; R800-E919 WeakPolarHBondContact CD-OE1 3.44Å; R800-E919 VanDerWaalsContact CD-OE2 3.26Å; R800-E919 WeakPolarHBondContact CD-OE2 3.47Å; R800-E919 IonicContact CZ-OE2 3.69Å; R800-E919 IonicContact NE-OE2 3.04Å; R800-E919 IonicContact NH1-OE2 2.64Å; R800-E919 PolarHBondContact NH1-OE2 3.31Å
801L92.6Very high85Confident4 Ų483.4 Ų83.42%0.02142%0.422CS..G310 helixtrans-60.9-25.2-175.5-75177.8000112.9F774 L778 S803 L804 F917 E919 F929 I933F774-L801 HydrophobicContact CZ-CD2 4.43Å; L778-L801 HydrophobicContact CD1-CD2 4.43Å; L778-L801 HydrophobicContact CD2-CD2 4.29Å; L801-S803 PolarHBondContact O-N 3.4Å; L801-S803 VanDerWaalsContact O-N 3.14Å; L801-L804 HydrophobicContact CD2-CD1 4.08Å; L801-L804 WeakPolarHBondContact O-CB 3.33Å; L801-L804 VanDerWaalsContact O-CG 3.25Å; L801-L804 WeakPolarHBondContact O-CG 3.36Å; L801-L804 PolarHBondContact O-N 2.97Å; L801-L804 VanDerWaalsContact O-N 3.08Å; L801-F917 HydrophobicContact CD1-CB 3.63Å; L801-F917 HydrophobicContact CD1-CD1 4.05Å; L801-F917 HydrophobicContact CD1-CG 3.84Å; L801-F917 HydrophobicContact CD2-CD1 4.01Å; L801-F917 HydrophobicContact CG-CB 4.14Å; L801-F917 HydrophobicContact CG-CD1 4.31Å; L801-F917 HydrophobicContact CG-CG 4.47Å; L801-E919 HydrophobicContact CD1-CG 4.49Å; L801-E919 PolarHBondContact N-OE1 2.93Å; L801-F929 HydrophobicContact CD1-CD2 4.48Å; L801-F929 HydrophobicContact CD1-CE2 3.6Å; L801-F929 HydrophobicContact CD1-CZ 3.86Å; L801-I933 HydrophobicContact CD1-CD1 4.11Å; L801-I933 HydrophobicContact CD2-CD1 4.48Å
802Q91.1Very high86.2Confident108 Ų10880.6 Ų80.651%0.50540%0.401SS..G310 helixtrans-57.5-24172.4-170.217027.400113.5R800 L804 D805R800-Q802 PolarHBondContact O-N 3.21Å; R800-Q802 VanDerWaalsContact O-N 3.09Å; Q802-L804 PolarHBondContact O-N 2.99Å; Q802-L804 VanDerWaalsContact O-N 3.16Å; Q802-D805 PolarHBondContact O-N 3.11Å
803S93.1Very high86.9Confident54 Ų5478.1 Ų78.138%0.37840%0.404SS..G310 helixtrans-61.3-20.3175.1-60.40000113.8R800 L801 D805 A806R800-S803 VanDerWaalsContact O-CB 3.24Å; R800-S803 WeakPolarHBondContact O-CB 3.44Å; R800-S803 PolarHBondContact O-N 3.25Å; R800-S803 PolarHBondContact O-OG 3.2Å; R800-S803 VanDerWaalsContact O-OG 3.08Å; L801-S803 PolarHBondContact O-N 3.4Å; L801-S803 VanDerWaalsContact O-N 3.14Å; S803-D805 PolarHBondContact O-N 2.9Å; S803-A806 PolarHBondContact O-N 3.41Å
804L95.3Very high87.4Confident3 Ų373.7 Ų73.72%0.01640%0.396CS..G310 helixtrans-62.3-30.3177.2-63.7176.4000112.6F774 L778 I781 F799 L801 Q802 A806 L807 F936F774-L804 HydrophobicContact CZ-CD1 4.44Å; L778-L804 HydrophobicContact CD2-CD1 4.42Å; L778-L804 HydrophobicContact CD2-CD2 3.97Å; I781-L804 HydrophobicContact CD1-CD2 3.67Å; F799-L804 HydrophobicContact CE2-CD2 4.14Å; L801-L804 HydrophobicContact CD2-CD1 4.08Å; L801-L804 WeakPolarHBondContact O-CB 3.33Å; L801-L804 VanDerWaalsContact O-CG 3.25Å; L801-L804 WeakPolarHBondContact O-CG 3.36Å; L801-L804 PolarHBondContact O-N 2.97Å; L801-L804 VanDerWaalsContact O-N 3.08Å; Q802-L804 PolarHBondContact O-N 2.99Å; Q802-L804 VanDerWaalsContact O-N 3.16Å; L804-A806 VanDerWaalsContact C-N 3.33Å; L804-A806 PolarHBondContact O-N 2.97Å; L804-L807 HydrophobicContact CD2-CD1 4.14Å; L804-F936 HydrophobicContact CB-CB 4.24Å; L804-F936 HydrophobicContact CB-CD2 3.87Å; L804-F936 HydrophobicContact CB-CG 4.2Å; L804-F936 HydrophobicContact CD1-CB 4.07Å; L804-F936 HydrophobicContact CD1-CD1 4.22Å; L804-F936 HydrophobicContact CD1-CD2 4.27Å; L804-F936 HydrophobicContact CD1-CG 3.91Å; L804-F936 HydrophobicContact CD2-CD2 4.01Å; L804-F936 HydrophobicContact CD2-CE2 3.99Å; L804-F936 HydrophobicContact CD2-CG 4.42Å; L804-F936 HydrophobicContact CD2-CZ 4.37Å; L804-F936 HydrophobicContact CG-CD2 4.26Å; L804-F936 HydrophobicContact CG-CG 4.4Å
805D91.7Very high88.2Confident38 Ų3879.1 Ų79.120%0.20341%0.409CS..THydrogen-bonded Turntrans-63.7-39.1175.4-73.1-42.3000111.5Q802 S803 L807 S808 R935Q802-D805 PolarHBondContact O-N 3.11Å; S803-D805 PolarHBondContact O-N 2.9Å; D805-L807 PolarHBondContact O-N 3.33Å; D805-S808 PolarHBondContact O-N 2.95Å; D805-R935 WeakPolarHBondContact OD1-CD 3.46Å; D805-R935 IonicContact OD1-CZ 2.85Å; D805-R935 IonicContact OD1-NE 3.52Å; D805-R935 IonicContact OD1-NH1 3.34Å; D805-R935 PolarHBondContact OD1-NH1 3.08Å; D805-R935 IonicContact OD2-NH1 3.51Å; D805-R935 PolarHBondContact OD2-NH1 3.42Å
806A92Very high88.5Confident46 Ų4677.7 Ų77.738%0.3841%0.409SS..Hα-helixtrans-71.6-13-173.800000114.3S803 L804 S808 D809 T810S803-A806 PolarHBondContact O-N 3.41Å; L804-A806 VanDerWaalsContact C-N 3.33Å; L804-A806 PolarHBondContact O-N 2.97Å; A806-S808 PolarHBondContact O-N 3.26Å; A806-D809 PolarHBondContact O-N 3Å; A806-T810 PolarHBondContact O-N 3.17Å; A806-T810 VanDerWaalsContact O-N 3.08Å; A806-T810 PolarHBondContact O-OG1 3.28Å
807L93.3Very high89Confident13 Ų1378 Ų787%0.06840%0.401CS..Hα-helixtrans-66-29.1176.2-58177000112.1I781 L804 D805 L819 L820 I823 F936I781-L807 HydrophobicContact CD1-CD1 3.83Å; I781-L807 HydrophobicContact CG1-CD1 4.07Å; I781-L807 HydrophobicContact CG2-CD1 4.19Å; I781-L807 HydrophobicContact CG2-CD2 4.11Å; L804-L807 HydrophobicContact CD2-CD1 4.14Å; D805-L807 PolarHBondContact O-N 3.33Å; L807-L819 HydrophobicContact CD2-CD2 3.87Å; L807-L819 HydrophobicContact CD2-CG 4.32Å; L807-L820 HydrophobicContact CB-CB 3.89Å; L807-L820 HydrophobicContact CB-CD1 4.31Å; L807-L820 HydrophobicContact CD1-CD1 4.23Å; L807-L820 PolarHBondContact O-N 2.99Å; L807-I823 HydrophobicContact CD2-CD1 4.23Å; L807-F936 HydrophobicContact CD1-CE2 4.08Å
808S91.9Very high89.6Confident29 Ų2968.1 Ų68.120%0.20336%0.364CS..Hα-helixtrans-83.3-25.8176.1-590000112.8D805 A806 T818 L820D805-S808 PolarHBondContact O-N 2.95Å; A806-S808 PolarHBondContact O-N 3.26Å; S808-T818 WeakPolarHBondContact O-CG2 3.37Å; S808-L820 WeakPolarHBondContact OG-CD2 3.49Å
809D89.6Confident89.9Confident99 Ų9967 Ų6753%0.52935%0.346SS..Hα-helixtrans-81.6-29.9-180-63.8-30.8000111.9A806 R811 K996A806-D809 PolarHBondContact O-N 3Å; D809-R811 PolarHBondContact O-N 3.15Å; D809-K996 IonicContact OD1-NZ 3.85Å; D809-K996 PolarHBondContact OD1-NZ 3.33Å
810T87.7Confident90.2Very high55 Ų5564.2 Ų64.234%0.33733%0.334SS..  trans-75.1119.5177.7-54.80000110.7M788 A806 T818 L819M788-T810 HydrophobicContact CE-CG2 4.1Å; A806-T810 PolarHBondContact O-N 3.17Å; A806-T810 VanDerWaalsContact O-N 3.08Å; A806-T810 PolarHBondContact O-OG1 3.28Å; T810-T818 CarbonylContact O-C 3.51Å; T810-T818 VanDerWaalsContact O-CA 3.24Å; T810-T818 WeakPolarHBondContact O-CA 3.38Å; T810-T818 WeakPolarHBondContact O-CB 2.88Å; T810-L819 HydrophobicContact CG2-CB 4.01Å; T810-L819 HydrophobicContact CG2-CD2 4.2Å; T810-L819 PolarHBondContact O-N 2.93Å
811R90.1Very high90.3Very high149 Ų14961.4 Ų61.456%0.56233%0.325SS*.BIsolated β-bridgetrans-121.1159.6-173.4-73.2178.8-176.9-108.4-1.2113.9D809 K815 W817 T818D809-R811 PolarHBondContact O-N 3.15Å; R811-K815 PolarHBondContact NH1-O 3.11Å; R811-W817 VanDerWaalsContact CA-O 3.3Å; R811-W817 WeakPolarHBondContact CA-O 3.47Å; R811-T818 HydrophobicContact CG-CG2 4.06Å
812T83.7Confident90.4Very high50 Ų5065.2 Ų65.231%0.30734%0.341SS..  trans-64.3164164.3520000111.8D814 K815 W817T812-D814 VanDerWaalsContact C-N 3.29Å; T812-D814 WeakPolarHBondContact CB-OD1 3.4Å; T812-D814 PolarHBondContact O-N 3.15Å; T812-D814 PolarHBondContact OG1-OD1 2.82Å; T812-K815 WeakPolarHBondContact O-CA 3.49Å; T812-K815 PolarHBondContact O-N 3.07Å; T812-W817 HydrophobicContact CG2-CB 3.85Å; T812-W817 HydrophobicContact CG2-CE3 4.22Å; T812-W817 PolarHBondContact N-O 3.3Å; T812-W817 PolarHBondContact OG1-N 3.3Å; T812-W817 PolarHBondContact OG1-O 3.17Å
813L81.9Confident90.6Very high181 Ų18160.1 Ų60.195%0.94832%0.318SS*.THydrogen-bonded Turntrans-59.5-37.6-175.3-178.163.7000113.3K815L813-K815 VanDerWaalsContact C-N 3.27Å
814D84.8Confident90.8Very high112 Ų11257.6 Ų57.660%0.59930%0.3SS*.THydrogen-bonded Turntrans-81.2-2.4175.966.5-25.7000113.5T812 S816T812-D814 VanDerWaalsContact C-N 3.29Å; T812-D814 WeakPolarHBondContact CB-OD1 3.4Å; T812-D814 PolarHBondContact O-N 3.15Å; T812-D814 PolarHBondContact OG1-OD1 2.82Å; D814-S816 PolarHBondContact O-N 3.35Å; D814-S816 VanDerWaalsContact O-N 3.13Å; D814-S816 PolarHBondContact OD1-OG 2.9Å; D814-S816 VanDerWaalsContact OD1-OG 3.1Å; D814-S816 VanDerWaalsContact OD2-CB 3.23Å; D814-S816 WeakPolarHBondContact OD2-CB 3.1Å; D814-S816 PolarHBondContact OD2-OG 2.94Å
815K85Confident90.8Very high150 Ų15059.4 Ų59.465%0.65231%0.308SS*.SBendtrans63.84.3-179.5-53.1174.9-177.6174.90115.9R811 T812 L813 W817R811-K815 PolarHBondContact NH1-O 3.11Å; T812-K815 WeakPolarHBondContact O-CA 3.49Å; T812-K815 PolarHBondContact O-N 3.07Å; L813-K815 VanDerWaalsContact C-N 3.27Å; K815-W817 VanDerWaalsContact C-N 3.33Å; K815-W817 PolarHBondContact O-N 2.9Å
816S84.4Confident90.9Very high85 Ų8558.2 Ų58.259%0.59430%0.302SS*.SBendtrans-68.7-29.6-177.265.10000113.4D814D814-S816 PolarHBondContact O-N 3.35Å; D814-S816 VanDerWaalsContact O-N 3.13Å; D814-S816 PolarHBondContact OD1-OG 2.9Å; D814-S816 VanDerWaalsContact OD1-OG 3.1Å; D814-S816 VanDerWaalsContact OD2-CB 3.23Å; D814-S816 WeakPolarHBondContact OD2-CB 3.1Å; D814-S816 PolarHBondContact OD2-OG 2.94Å
817W87.2Confident91.1Very high48 Ų4856 Ų5618%0.18228%0.284CS..  trans-133.6153.4-169.5-152.433.1000110.3R811 T812 K815 H821 F822 E825 N947R811-W817 VanDerWaalsContact CA-O 3.3Å; R811-W817 WeakPolarHBondContact CA-O 3.47Å; T812-W817 HydrophobicContact CG2-CB 3.85Å; T812-W817 HydrophobicContact CG2-CE3 4.22Å; T812-W817 PolarHBondContact N-O 3.3Å; T812-W817 PolarHBondContact OG1-N 3.3Å; T812-W817 PolarHBondContact OG1-O 3.17Å; K815-W817 VanDerWaalsContact C-N 3.33Å; K815-W817 PolarHBondContact O-N 2.9Å; W817-H821 AromaticContact CD1-CG 3.83Å; W817-H821 HydrophobicContact CG-CB 4.19Å; W817-F822 HydrophobicContact CE3-CD2 4.18Å; W817-F822 HydrophobicContact CH2-CB 4.19Å; W817-F822 AromaticContact CH2-CD2 3.43Å; W817-F822 HydrophobicContact CH2-CD2 3.43Å; W817-F822 VanDerWaalsContact CH2-CD2 3.43Å; W817-F822 HydrophobicContact CH2-CE2 4.06Å; W817-F822 HydrophobicContact CH2-CG 4.13Å; W817-F822 HydrophobicContact CZ2-CB 4.25Å; W817-F822 HydrophobicContact CZ2-CD2 4.3Å; W817-F822 HydrophobicContact CZ3-CB 4.46Å; W817-F822 AromaticContact CZ3-CD2 3.39Å; W817-F822 HydrophobicContact CZ3-CD2 3.39Å; W817-F822 HydrophobicContact CZ3-CE2 4.01Å; W817-F822 HydrophobicContact CZ3-CG 4.35Å; W817-E825 HydrophobicContact CZ2-CB 4.3Å; W817-E825 VanDerWaalsContact CZ2-OE2 3.3Å; W817-E825 WeakPolarHBondContact CZ2-OE2 3.28Å; W817-N947 PolarHBondContact NE1-OD1 3.47Å
818T94.2Very high91.2Very high9 Ų957.6 Ų57.66%0.05529%0.291CS..BIsolated β-bridgetrans-113.8160.8176.582.60000111.3S808 T810 R811 L820 H821 F822S808-T818 WeakPolarHBondContact O-CG2 3.37Å; T810-T818 CarbonylContact O-C 3.51Å; T810-T818 VanDerWaalsContact O-CA 3.24Å; T810-T818 WeakPolarHBondContact O-CA 3.38Å; T810-T818 WeakPolarHBondContact O-CB 2.88Å; R811-T818 HydrophobicContact CG-CG2 4.06Å; T818-L820 PolarHBondContact O-N 3.2Å; T818-L820 PolarHBondContact OG1-N 3.25Å; T818-H821 WeakPolarHBondContact O-CB 3.35Å; T818-H821 PolarHBondContact O-N 3.35Å; T818-H821 VanDerWaalsContact O-N 3.08Å; T818-H821 PolarHBondContact OG1-N 3.14Å; T818-H821 PolarHBondContact OG1-ND1 3.17Å; T818-F822 PolarHBondContact O-N 3.3Å
819L93.9Very high91.2Very high26 Ų2660.7 Ų60.714%0.13631%0.309CS..Hα-helixtrans-57.7-37173.917960.7000111.6M788 L807 T810 F822 I823M788-L819 HydrophobicContact CE-CD2 4.42Å; M788-L819 HydrophobicContact SD-CD1 3.84Å; M788-L819 HydrophobicContact SD-CD2 3.81Å; M788-L819 HydrophobicContact SD-CG 4.48Å; L807-L819 HydrophobicContact CD2-CD2 3.87Å; L807-L819 HydrophobicContact CD2-CG 4.32Å; T810-L819 HydrophobicContact CG2-CB 4.01Å; T810-L819 HydrophobicContact CG2-CD2 4.2Å; T810-L819 PolarHBondContact O-N 2.93Å; L819-F822 PolarHBondContact O-N 3.41Å; L819-I823 HydrophobicContact CD1-CD1 4.05Å; L819-I823 HydrophobicContact CD1-CG1 4.26Å; L819-I823 HydrophobicContact CG-CD1 3.88Å; L819-I823 HydrophobicContact CG-CG1 4.49Å; L819-I823 WeakPolarHBondContact O-CB 3.15Å; L819-I823 VanDerWaalsContact O-CG1 3.27Å; L819-I823 WeakPolarHBondContact O-CG1 3.18Å; L819-I823 PolarHBondContact O-N 3.14Å
820L97.1Very high91.4Very high2 Ų262.3 Ų62.31%0.0131%0.313CS..Hα-helixtrans-60.7-44.8174.1-175.759.3000111.9L807 S808 T818 F822 I823 V824 F936 N939 F940 A943L807-L820 HydrophobicContact CB-CB 3.89Å; L807-L820 HydrophobicContact CB-CD1 4.31Å; L807-L820 HydrophobicContact CD1-CD1 4.23Å; L807-L820 PolarHBondContact O-N 2.99Å; S808-L820 WeakPolarHBondContact OG-CD2 3.49Å; T818-L820 PolarHBondContact O-N 3.2Å; T818-L820 PolarHBondContact OG1-N 3.25Å; L820-F822 PolarHBondContact O-N 2.88Å; L820-I823 PolarHBondContact O-N 3.02Å; L820-V824 HydrophobicContact CD1-CG2 4.31Å; L820-V824 HydrophobicContact CG-CG2 4.42Å; L820-V824 WeakPolarHBondContact O-CB 3.48Å; L820-V824 VanDerWaalsContact O-CG2 3.29Å; L820-V824 WeakPolarHBondContact O-CG2 3.37Å; L820-V824 PolarHBondContact O-N 2.91Å; L820-F936 HydrophobicContact CD1-CE2 4Å; L820-N939 HydrophobicContact CD2-CB 3.65Å; L820-F940 HydrophobicContact CD1-CD2 4.28Å; L820-A943 HydrophobicContact CD2-CB 4.38Å; L820-A943 HydrophobicContact CG-CB 4.16Å
821H96Very high91.7Very high29 Ų2964 Ų6413%0.13432%0.316CS..Hα-helixtrans-62.7-41.8177.3-67.493.2000112.1W817 T818 I823 V824 E825 D946 N947W817-H821 AromaticContact CD1-CG 3.83Å; W817-H821 HydrophobicContact CG-CB 4.19Å; T818-H821 WeakPolarHBondContact O-CB 3.35Å; T818-H821 PolarHBondContact O-N 3.35Å; T818-H821 VanDerWaalsContact O-N 3.08Å; T818-H821 PolarHBondContact OG1-N 3.14Å; T818-H821 PolarHBondContact OG1-ND1 3.17Å; H821-I823 VanDerWaalsContact C-N 3.34Å; H821-I823 PolarHBondContact O-N 3.1Å; H821-V824 PolarHBondContact O-N 3.45Å; H821-E825 PolarHBondContact O-N 3.47Å; H821-D946 VanDerWaalsContact NE2-CB 3.26Å; H821-D946 WeakPolarHBondContact NE2-CB 3.21Å; H821-D946 IonicContact NE2-OD2 3.79Å; H821-D946 PolarHBondContact NE2-OD2 3.1Å; H821-N947 WeakPolarHBondContact CB-OD1 3.22Å; H821-N947 PolarHBondContact O-ND2 3.34Å
822F94.9Very high91.9Very high83 Ų8360.8 Ų60.836%0.36432%0.315SS..Hα-helixtrans-58.9-45.5174.3-172.5-76000111.8F784 W817 T818 L819 L820 E825 T826F784-F822 HydrophobicContact CD1-CE1 4.5Å; F784-F822 AromaticContact CE1-CD1 3.98Å; F784-F822 HydrophobicContact CE1-CD1 3.98Å; F784-F822 AromaticContact CE1-CE1 3.51Å; F784-F822 HydrophobicContact CE1-CE1 3.51Å; F784-F822 AromaticContact CZ-CD1 3.98Å; F784-F822 HydrophobicContact CZ-CD1 3.98Å; F784-F822 AromaticContact CZ-CE1 3.6Å; F784-F822 HydrophobicContact CZ-CE1 3.6Å; W817-F822 HydrophobicContact CE3-CD2 4.18Å; W817-F822 HydrophobicContact CH2-CB 4.19Å; W817-F822 AromaticContact CH2-CD2 3.43Å; W817-F822 HydrophobicContact CH2-CD2 3.43Å; W817-F822 VanDerWaalsContact CH2-CD2 3.43Å; W817-F822 HydrophobicContact CH2-CE2 4.06Å; W817-F822 HydrophobicContact CH2-CG 4.13Å; W817-F822 HydrophobicContact CZ2-CB 4.25Å; W817-F822 HydrophobicContact CZ2-CD2 4.3Å; W817-F822 HydrophobicContact CZ3-CB 4.46Å; W817-F822 AromaticContact CZ3-CD2 3.39Å; W817-F822 HydrophobicContact CZ3-CD2 3.39Å; W817-F822 HydrophobicContact CZ3-CE2 4.01Å; W817-F822 HydrophobicContact CZ3-CG 4.35Å; T818-F822 PolarHBondContact O-N 3.3Å; L819-F822 PolarHBondContact O-N 3.41Å; L820-F822 PolarHBondContact O-N 2.88Å; F822-E825 PolarHBondContact O-N 3.47Å; F822-T826 WeakPolarHBondContact CE1-OG1 3.48Å; F822-T826 WeakPolarHBondContact O-CB 3.29Å; F822-T826 PolarHBondContact O-N 3.39Å; F822-T826 PolarHBondContact O-OG1 2.83Å
823I95.7Very high92.3Very high2 Ų261.9 Ų61.91%0.0133%0.329CS..Hα-helixtrans-64.4-44.4178.6-71.4170.6000110.7I780 I781 F784 L807 L819 L820 H821 E825 T826 I827I780-I823 HydrophobicContact CG2-CG2 4.2Å; I781-I823 HydrophobicContact CG1-CD1 4.19Å; I781-I823 HydrophobicContact CG1-CG2 4.41Å; F784-I823 HydrophobicContact CB-CD1 4.43Å; F784-I823 HydrophobicContact CD2-CD1 4.17Å; F784-I823 HydrophobicContact CD2-CG1 3.67Å; F784-I823 HydrophobicContact CE2-CG1 4.01Å; F784-I823 HydrophobicContact CG-CG1 4.25Å; L807-I823 HydrophobicContact CD2-CD1 4.23Å; L819-I823 HydrophobicContact CD1-CD1 4.05Å; L819-I823 HydrophobicContact CD1-CG1 4.26Å; L819-I823 HydrophobicContact CG-CD1 3.88Å; L819-I823 HydrophobicContact CG-CG1 4.49Å; L819-I823 WeakPolarHBondContact O-CB 3.15Å; L819-I823 VanDerWaalsContact O-CG1 3.27Å; L819-I823 WeakPolarHBondContact O-CG1 3.18Å; L819-I823 PolarHBondContact O-N 3.14Å; L820-I823 PolarHBondContact O-N 3.02Å; H821-I823 VanDerWaalsContact C-N 3.34Å; H821-I823 PolarHBondContact O-N 3.1Å; I823-E825 PolarHBondContact O-N 2.89Å; I823-T826 WeakPolarHBondContact O-CB 3.42Å; I823-T826 PolarHBondContact O-N 3.13Å; I823-I827 HydrophobicContact CG2-CD1 3.67Å; I823-I827 WeakPolarHBondContact O-CD1 3.36Å; I823-I827 VanDerWaalsContact O-CG1 3.29Å; I823-I827 WeakPolarHBondContact O-CG1 3.24Å; I823-I827 PolarHBondContact O-N 3.23Å
824V97.1Very high93Very high1 Ų154.4 Ų54.41%0.00629%0.29CS..Hα-helixtrans-59.4-46.8176.6167.30000111.3L820 H821 T826 I827 E828 F940 A943 I944L820-V824 HydrophobicContact CD1-CG2 4.31Å; L820-V824 HydrophobicContact CG-CG2 4.42Å; L820-V824 WeakPolarHBondContact O-CB 3.48Å; L820-V824 VanDerWaalsContact O-CG2 3.29Å; L820-V824 WeakPolarHBondContact O-CG2 3.37Å; L820-V824 PolarHBondContact O-N 2.91Å; H821-V824 PolarHBondContact O-N 3.45Å; V824-T826 VanDerWaalsContact C-N 3.35Å; V824-T826 PolarHBondContact O-N 3.35Å; V824-I827 WeakPolarHBondContact O-CB 3.48Å; V824-I827 PolarHBondContact O-N 3.22Å; V824-I827 VanDerWaalsContact O-N 3.11Å; V824-E828 HydrophobicContact CG1-CG 4.47Å; V824-E828 WeakPolarHBondContact O-CG 3.15Å; V824-E828 PolarHBondContact O-N 2.96Å; V824-F940 HydrophobicContact CG2-CD1 4.29Å; V824-F940 HydrophobicContact CG2-CD2 3.58Å; V824-F940 HydrophobicContact CG2-CE1 4.31Å; V824-F940 HydrophobicContact CG2-CE2 3.6Å; V824-F940 HydrophobicContact CG2-CG 3.95Å; V824-F940 HydrophobicContact CG2-CZ 3.98Å; V824-A943 HydrophobicContact CB-CB 4.41Å; V824-A943 HydrophobicContact CG2-CB 3.95Å; V824-I944 HydrophobicContact CG1-CB 4.33Å; V824-I944 HydrophobicContact CG1-CG1 3.51Å
825E94.5Very high93.5Very high41 Ų4151 Ų5119%0.19227%0.273CS..Hα-helixtrans-67.1-36.2178.4-174.8161.9164.700112.6W817 H821 F822 I823 I827 E828 T829 R950W817-E825 HydrophobicContact CZ2-CB 4.3Å; W817-E825 VanDerWaalsContact CZ2-OE2 3.3Å; W817-E825 WeakPolarHBondContact CZ2-OE2 3.28Å; H821-E825 PolarHBondContact O-N 3.47Å; F822-E825 PolarHBondContact O-N 3.47Å; I823-E825 PolarHBondContact O-N 2.89Å; E825-I827 VanDerWaalsContact C-N 3.27Å; E825-I827 PolarHBondContact O-N 3.34Å; E825-E828 PolarHBondContact O-N 2.93Å; E825-T829 HydrophobicContact CG-CG2 4.5Å; E825-T829 WeakPolarHBondContact O-CB 3.42Å; E825-T829 WeakPolarHBondContact O-CG2 3.38Å; E825-T829 PolarHBondContact O-N 2.82Å; E825-T829 PolarHBondContact O-OG1 2.97Å; E825-R950 IonicContact OE1-NH2 3.69Å; E825-R950 PolarHBondContact OE1-NH2 2.98Å; E825-R950 IonicContact OE2-CZ 2.74Å; E825-R950 IonicContact OE2-NH2 3.06Å; E825-R950 PolarHBondContact OE2-NH2 3.33Å
826T93.4Very high94Very high13 Ų1346.9 Ų46.98%0.0826%0.258CS..Hα-helixtrans-61.1-38.8171.2-56.70000111F784 F822 I823 V824 T829 Q830 F831F784-T826 HydrophobicContact CE2-CG2 4.23Å; F784-T826 HydrophobicContact CZ-CG2 4.05Å; F822-T826 WeakPolarHBondContact CE1-OG1 3.48Å; F822-T826 WeakPolarHBondContact O-CB 3.29Å; F822-T826 PolarHBondContact O-N 3.39Å; F822-T826 PolarHBondContact O-OG1 2.83Å; I823-T826 WeakPolarHBondContact O-CB 3.42Å; I823-T826 PolarHBondContact O-N 3.13Å; V824-T826 VanDerWaalsContact C-N 3.35Å; V824-T826 PolarHBondContact O-N 3.35Å; T826-T829 PolarHBondContact O-OG1 3.48Å; T826-Q830 WeakPolarHBondContact O-CB 3.34Å; T826-Q830 PolarHBondContact O-N 2.94Å; T826-F831 HydrophobicContact CG2-CE2 4.48Å
827I96.5Very high94.6Very high0 Ų042.9 Ų42.90%023%0.23CC..Hα-helixtrans-69.9-46.7176.5-70.8156.7000111.2I777 I780 I823 V824 E825 T829 F831 P832 L834 V835 F940I777-I827 HydrophobicContact CD1-CD1 3.45Å; I777-I827 VanDerWaalsContact CD1-CD1 3.45Å; I777-I827 HydrophobicContact CD1-CG1 4.24Å; I777-I827 HydrophobicContact CD1-CG2 4.45Å; I780-I827 HydrophobicContact CD1-CD1 4.48Å; I780-I827 HydrophobicContact CD1-CG1 3.89Å; I823-I827 HydrophobicContact CG2-CD1 3.67Å; I823-I827 WeakPolarHBondContact O-CD1 3.36Å; I823-I827 VanDerWaalsContact O-CG1 3.29Å; I823-I827 WeakPolarHBondContact O-CG1 3.24Å; I823-I827 PolarHBondContact O-N 3.23Å; V824-I827 WeakPolarHBondContact O-CB 3.48Å; V824-I827 PolarHBondContact O-N 3.22Å; V824-I827 VanDerWaalsContact O-N 3.11Å; E825-I827 VanDerWaalsContact C-N 3.27Å; E825-I827 PolarHBondContact O-N 3.34Å; I827-T829 PolarHBondContact O-N 3.32Å; I827-F831 CarbonylContact O-C 3.31Å; I827-F831 VanDerWaalsContact O-CA 3.29Å; I827-F831 WeakPolarHBondContact O-CA 3.35Å; I827-F831 PolarHBondContact O-N 3.08Å; I827-P832 VanDerWaalsContact O-N 3.13Å; I827-L834 HydrophobicContact CG2-CB 3.88Å; I827-V835 HydrophobicContact CG2-CG2 3.93Å; I827-F940 HydrophobicContact CD1-CE2 3.75Å; I827-F940 HydrophobicContact CD1-CZ 3.97Å; I827-F940 HydrophobicContact CG2-CZ 4.42Å
828E95.6Very high94.9Very high46 Ų4641.9 Ų41.922%0.21523%0.228CC..Hα-helixtrans-56.9-37.3176.3-71.6178.3111.500112.4V824 E825 V835 R951V824-E828 HydrophobicContact CG1-CG 4.47Å; V824-E828 WeakPolarHBondContact O-CG 3.15Å; V824-E828 PolarHBondContact O-N 2.96Å; E825-E828 PolarHBondContact O-N 2.93Å; E828-V835 HydrophobicContact CB-CG2 4.47Å; E828-V835 HydrophobicContact CG-CG2 4.01Å; E828-R951 VanDerWaalsContact CD-NH2 3.29Å; E828-R951 IonicContact OE1-CZ 2.67Å; E828-R951 IonicContact OE1-NH1 3.66Å; E828-R951 IonicContact OE1-NH2 3.75Å; E828-R951 PolarHBondContact OE1-NH2 2.95Å; E828-R951 IonicContact OE2-CZ 2.72Å; E828-R951 IonicContact OE2-NH1 2.76Å; E828-R951 PolarHBondContact OE2-NH1 2.94Å; E828-R951 IonicContact OE2-NH2 3.2Å; E828-R951 PolarHBondContact OE2-NH2 3.19Å; E828-R951 VanDerWaalsContact OE2-NH2 3.12Å
829T92.1Very high95Very high94 Ų9446.2 Ų46.258%0.57725%0.251SS*.Hα-helixtrans-89.6-41.3-17553.10000114.3E825 T826 I827E825-T829 HydrophobicContact CG-CG2 4.5Å; E825-T829 WeakPolarHBondContact O-CB 3.42Å; E825-T829 WeakPolarHBondContact O-CG2 3.38Å; E825-T829 PolarHBondContact O-N 2.82Å; E825-T829 PolarHBondContact O-OG1 2.97Å; T826-T829 PolarHBondContact O-OG1 3.48Å; I827-T829 PolarHBondContact O-N 3.32Å
830Q93.2Very high95Very high133 Ų13348.1 Ų48.162%0.62126%0.259SS*.Hα-helixtrans-106.7-24.6-173.9-57.3-172.836.100113.8T826 P832T826-Q830 WeakPolarHBondContact O-CB 3.34Å; T826-Q830 PolarHBondContact O-N 2.94Å; Q830-P832 VanDerWaalsContact C-CD 3.47Å
831F93.8Very high94.9Very high89 Ų8948.4 Ų48.439%0.3926%0.261SS..  trans-133.349.7-175.5-51.9-76.6000112.7I780 T826 I827 A833 L834I780-F831 HydrophobicContact CD1-CB 4.47Å; I780-F831 HydrophobicContact CD1-CD2 3.68Å; I780-F831 HydrophobicContact CD1-CE2 4.06Å; I780-F831 HydrophobicContact CD1-CG 4.05Å; I780-F831 HydrophobicContact CG1-CE2 4.44Å; T826-F831 HydrophobicContact CG2-CE2 4.48Å; I827-F831 CarbonylContact O-C 3.31Å; I827-F831 VanDerWaalsContact O-CA 3.29Å; I827-F831 WeakPolarHBondContact O-CA 3.35Å; I827-F831 PolarHBondContact O-N 3.08Å; F831-A833 PolarHBondContact O-N 2.99Å; F831-L834 HydrophobicContact CB-CD1 3.77Å; F831-L834 HydrophobicContact CB-CG 4.05Å; F831-L834 HydrophobicContact CG-CD1 4.36Å; F831-L834 WeakPolarHBondContact O-CB 3.23Å; F831-L834 PolarHBondContact O-N 3.15Å
832P94.2Very high94.7Very high83 Ų8351 Ų5154%0.53928%0.279SS..G310 helixtrans-58.3-25.8-167.521.2-34000114.4I827 Q830 L834 V835I827-P832 VanDerWaalsContact O-N 3.13Å; Q830-P832 VanDerWaalsContact C-CD 3.47Å; P832-L834 PolarHBondContact O-N 2.9Å; P832-L834 VanDerWaalsContact O-N 3.16Å; P832-V835 WeakPolarHBondContact O-CG2 3.38Å; P832-V835 PolarHBondContact O-N 3.21Å
833A92.7Very high94.5Very high73 Ų7348.5 Ų48.560%0.60328%0.276SS*.G310 helixtrans-64.3-13.1174.300000114.7K773 F831 N836K773-A833 WeakPolarHBondContact CD-O 3.31Å; K773-A833 VanDerWaalsContact CE-O 3.22Å; K773-A833 WeakPolarHBondContact CE-O 3.42Å; K773-A833 PolarHBondContact NZ-O 3.49Å; F831-A833 PolarHBondContact O-N 2.99Å; A833-N836 PolarHBondContact O-OD1 3.33Å
834L96Very high94.5Very high23 Ų2348.5 Ų48.512%0.1228%0.276CS..G310 helixtrans-97-8.3178-53.1-177.1000113.6K773 A776 I777 I780 I827 F831 P832 N836 F837K773-L834 HydrophobicContact CB-CD2 3.98Å; K773-L834 HydrophobicContact CG-CD2 3.91Å; A776-L834 HydrophobicContact CB-CD1 3.71Å; A776-L834 HydrophobicContact CB-CD2 3.87Å; A776-L834 HydrophobicContact CB-CG 4.47Å; I777-L834 HydrophobicContact CD1-CB 3.93Å; I777-L834 HydrophobicContact CD1-CD1 4.42Å; I780-L834 HydrophobicContact CD1-CD1 3.7Å; I827-L834 HydrophobicContact CG2-CB 3.88Å; F831-L834 HydrophobicContact CB-CD1 3.77Å; F831-L834 HydrophobicContact CB-CG 4.05Å; F831-L834 HydrophobicContact CG-CD1 4.36Å; F831-L834 WeakPolarHBondContact O-CB 3.23Å; F831-L834 PolarHBondContact O-N 3.15Å; P832-L834 PolarHBondContact O-N 2.9Å; P832-L834 VanDerWaalsContact O-N 3.16Å; L834-N836 PolarHBondContact O-N 2.86Å; L834-F837 WeakPolarHBondContact O-CB 3.47Å; L834-F837 PolarHBondContact O-N 3.28Å; L834-F837 VanDerWaalsContact O-N 3.14Å
835V96.1Very high94.4Very high42 Ų4252.2 Ų52.226%0.25530%0.299SS..THydrogen-bonded Turntrans-59.5-37.6-178.3175.70000111.2I827 E828 P832 I944I827-V835 HydrophobicContact CG2-CG2 3.93Å; E828-V835 HydrophobicContact CB-CG2 4.47Å; E828-V835 HydrophobicContact CG-CG2 4.01Å; P832-V835 WeakPolarHBondContact O-CG2 3.38Å; P832-V835 PolarHBondContact O-N 3.21Å; V835-I944 HydrophobicContact CG1-CD1 3.94Å
836N95Very high94.4Very high63 Ų6354.7 Ų54.734%0.33731%0.31SS..THydrogen-bonded Turntrans-100.751.2174.270.7-31.4000112K773 A833 L834 D838 D839K773-N836 VanDerWaalsContact NZ-CG 3.3Å; K773-N836 PolarHBondContact NZ-ND2 3.36Å; K773-N836 PolarHBondContact NZ-O 3.44Å; K773-N836 PolarHBondContact NZ-OD1 3.49Å; A833-N836 PolarHBondContact O-OD1 3.33Å; L834-N836 PolarHBondContact O-N 2.86Å; N836-D838 PolarHBondContact O-N 3.47Å; N836-D839 WeakPolarHBondContact CB-OD2 3.33Å; N836-D839 PolarHBondContact ND2-OD2 2.97Å
837F96.7Very high94.6Very high0 Ų054.1 Ų54.10%031%0.307CS..  trans-67.1-27.5174.275.8-89.2000112.7K773 F774 I777 L834 D839 E840 L841 F936 I937 F940K773-F837 HydrophobicContact CB-CB 3.54Å; K773-F837 HydrophobicContact CD-CB 4.32Å; F774-F837 HydrophobicContact CB-CD2 4.28Å; F774-F837 AromaticContact CD2-CD2 3.84Å; F774-F837 HydrophobicContact CD2-CD2 3.84Å; F774-F837 AromaticContact CD2-CE2 3.77Å; F774-F837 HydrophobicContact CD2-CE2 3.77Å; F774-F837 HydrophobicContact CE2-CE2 4.33Å; I777-F837 HydrophobicContact CD1-CD1 4.04Å; I777-F837 HydrophobicContact CD1-CG 4.5Å; I777-F837 HydrophobicContact CG1-CB 4.07Å; I777-F837 HydrophobicContact CG1-CD1 3.92Å; I777-F837 HydrophobicContact CG1-CG 3.92Å; L834-F837 WeakPolarHBondContact O-CB 3.47Å; L834-F837 PolarHBondContact O-N 3.28Å; L834-F837 VanDerWaalsContact O-N 3.14Å; F837-D839 VanDerWaalsContact C-N 3.3Å; F837-D839 PolarHBondContact O-N 3.29Å; F837-E840 PolarHBondContact O-N 2.64Å; F837-L841 HydrophobicContact CD2-CD1 3.8Å; F837-L841 HydrophobicContact CE2-CD1 3.78Å; F837-F936 HydrophobicContact CE1-CE1 4.22Å; F837-F936 HydrophobicContact CE2-CD1 4.29Å; F837-F936 AromaticContact CE2-CE1 3.98Å; F837-F936 HydrophobicContact CE2-CE1 3.98Å; F837-F936 AromaticContact CZ-CD1 3.92Å; F837-F936 HydrophobicContact CZ-CD1 3.92Å; F837-F936 AromaticContact CZ-CE1 3.48Å; F837-F936 HydrophobicContact CZ-CE1 3.48Å; F837-F936 VanDerWaalsContact CZ-CE1 3.48Å; F837-F936 HydrophobicContact CZ-CZ 4.42Å; F837-I937 HydrophobicContact CE2-CG1 3.93Å; F837-I937 HydrophobicContact CZ-CG1 3.98Å; F837-F940 HydrophobicContact CD1-CD1 4.46Å; F837-F940 HydrophobicContact CD1-CE1 4.11Å; F837-F940 HydrophobicContact CD1-CZ 4.16Å; F837-F940 HydrophobicContact CE1-CB 4.41Å; F837-F940 AromaticContact CE1-CD1 3.68Å; F837-F940 HydrophobicContact CE1-CD1 3.68Å; F837-F940 AromaticContact CE1-CD2 3.91Å; F837-F940 HydrophobicContact CE1-CD2 3.91Å; F837-F940 AromaticContact CE1-CE1 3.75Å; F837-F940 HydrophobicContact CE1-CE1 3.75Å; F837-F940 AromaticContact CE1-CE2 3.99Å; F837-F940 HydrophobicContact CE1-CE2 3.99Å; F837-F940 AromaticContact CE1-CG 3.75Å; F837-F940 HydrophobicContact CE1-CG 3.75Å; F837-F940 AromaticContact CE1-CZ 3.91Å; F837-F940 HydrophobicContact CE1-CZ 3.91Å; F837-F940 HydrophobicContact CZ-CG 4.38Å
838D95Very high94.6Very high28 Ų2854.8 Ų54.815%0.1531%0.312CS..G310 helixtrans-75.6-15.9-175.866.8-69.3000113.9N836 E840 L841 I937 K941N836-D838 PolarHBondContact O-N 3.47Å; D838-E840 PolarHBondContact O-N 3.09Å; D838-L841 WeakPolarHBondContact O-CB 3.47Å; D838-L841 PolarHBondContact O-N 3.45Å; D838-I937 HydrophobicContact CB-CD1 4.03Å; D838-I937 HydrophobicContact CB-CG1 4.05Å; D838-I937 HydrophobicContact CB-CG2 3.79Å; D838-K941 VanDerWaalsContact CG-CE 3.48Å; D838-K941 WeakPolarHBondContact OD1-CE 3.16Å; D838-K941 IonicContact OD1-NZ 3.88Å; D838-K941 WeakPolarHBondContact OD2-CE 3.47Å; D838-K941 IonicContact OD2-NZ 3.4Å; D838-K941 PolarHBondContact OD2-NZ 3.33Å
839D94.7Very high94.6Very high100 Ų10058.6 Ų58.654%0.53533%0.328SS..G310 helixtrans-58.2-29.1168.2-70.1-13.7000112N836 F837 L841N836-D839 WeakPolarHBondContact CB-OD2 3.33Å; N836-D839 PolarHBondContact ND2-OD2 2.97Å; F837-D839 VanDerWaalsContact C-N 3.3Å; F837-D839 PolarHBondContact O-N 3.29Å; D839-L841 VanDerWaalsContact C-N 3.31Å
840E95.7Very high94.8Very high65 Ų6554.5 Ų54.530%0.30430%0.303SS..G310 helixtrans-81.5-8.2176-64.3-178.9178.300113A767 S771 C772 K773 F837 D838A767-E840 WeakPolarHBondContact CB-O 3.39Å; S771-E840 VanDerWaalsContact CA-OE2 3.23Å; S771-E840 WeakPolarHBondContact CA-OE2 3.41Å; S771-E840 WeakPolarHBondContact CB-OE2 3.41Å; S771-E840 WeakPolarHBondContact OG-CB 3.42Å; S771-E840 PolarHBondContact OG-OE2 3.06Å; C772-E840 PolarHBondContact N-OE2 3.26Å; K773-E840 HydrophobicContact CD-CG 4.28Å; K773-E840 WeakPolarHBondContact CD-OE1 3.37Å; K773-E840 WeakPolarHBondContact CE-OE1 3.29Å; K773-E840 VanDerWaalsContact CG-OE1 3.28Å; K773-E840 WeakPolarHBondContact CG-OE1 3.29Å; K773-E840 PolarHBondContact N-OE2 3.19Å; K773-E840 VanDerWaalsContact N-OE2 3.12Å; F837-E840 PolarHBondContact O-N 2.64Å; D838-E840 PolarHBondContact O-N 3.09Å
841L95.1Very high94.8Very high8 Ų850.5 Ų50.54%0.04229%0.289CS..  trans-10644.1-170.6-59.2-174.8000112.4L768 F774 F837 D838 D839 V844 I933 I937L768-L841 HydrophobicContact CB-CD2 4.37Å; L768-L841 HydrophobicContact CD1-CD1 4.22Å; L768-L841 HydrophobicContact CD1-CD2 3.67Å; F774-L841 HydrophobicContact CB-CD1 4.34Å; F774-L841 HydrophobicContact CB-CD2 4.29Å; F774-L841 HydrophobicContact CD2-CD1 4.14Å; F774-L841 HydrophobicContact CG-CD1 4.23Å; F837-L841 HydrophobicContact CD2-CD1 3.8Å; F837-L841 HydrophobicContact CE2-CD1 3.78Å; D838-L841 WeakPolarHBondContact O-CB 3.47Å; D838-L841 PolarHBondContact O-N 3.45Å; D839-L841 VanDerWaalsContact C-N 3.31Å; L841-V844 HydrophobicContact CB-CG2 4.12Å; L841-V844 WeakPolarHBondContact O-CB 3.38Å; L841-V844 VanDerWaalsContact O-CG2 3.29Å; L841-V844 WeakPolarHBondContact O-CG2 3.47Å; L841-I933 HydrophobicContact CD1-CG2 4.14Å; L841-I937 HydrophobicContact CD1-CD1 3.99Å
842T90.6Very high94.6Very high85 Ų8548.8 Ų48.852%0.52129%0.286SS..THydrogen-bonded Turntrans-62.7146.4-178.857.40000112.5V844T842-V844 PolarHBondContact O-N 2.91Å; T842-V844 VanDerWaalsContact O-N 3.13Å
843G90.7Very high94.4Very high29 Ų2952.4 Ų52.430%0.29930%0.295SS..THydrogen-bonded Turntrans76-13.3-179.900000116V845 E846 A847G843-V845 VanDerWaalsContact C-N 3.28Å; G843-V845 PolarHBondContact O-N 2.93Å; G843-E846 PolarHBondContact O-N 3.12Å; G843-A847 PolarHBondContact O-N 3.12Å
844V95.6Very high94.3Very high2 Ų250.5 Ų50.51%0.01228%0.28CS..Hα-helixtrans-58-36.6-176.81710000113A764 L841 T842 A848 F930 I933 V934A764-V844 HydrophobicContact CB-CB 4.49Å; A764-V844 HydrophobicContact CB-CG2 3.94Å; L841-V844 HydrophobicContact CB-CG2 4.12Å; L841-V844 WeakPolarHBondContact O-CB 3.38Å; L841-V844 VanDerWaalsContact O-CG2 3.29Å; L841-V844 WeakPolarHBondContact O-CG2 3.47Å; T842-V844 PolarHBondContact O-N 2.91Å; T842-V844 VanDerWaalsContact O-N 3.13Å; V844-A848 WeakPolarHBondContact O-CB 3.38Å; V844-A848 PolarHBondContact O-N 3.47Å; V844-F930 HydrophobicContact CG1-CB 4.19Å; V844-F930 HydrophobicContact CG1-CD1 4.12Å; V844-F930 HydrophobicContact CG2-CD1 4.33Å; V844-I933 HydrophobicContact CG1-CB 4Å; V844-I933 HydrophobicContact CG1-CG2 3.93Å; V844-V934 HydrophobicContact CG1-CG2 3.89Å
845V95.7Very high94.2Very high79 Ų7950.5 Ų50.548%0.47928%0.279SS..Hα-helixtrans-67.2-36.3176.61770000112.4G843 K849 V934G843-V845 VanDerWaalsContact C-N 3.28Å; G843-V845 PolarHBondContact O-N 2.93Å; V845-K849 WeakPolarHBondContact O-CE 3.3Å; V845-K849 WeakPolarHBondContact O-CG 3.28Å; V845-V934 HydrophobicContact CG2-CG2 4.12Å
846E95.1Very high94.1Very high94 Ų9452.4 Ų52.444%0.43929%0.291SS..Hα-helixtrans-78.9-40178.5-58.9-47123.100111.1A760 G843 A848 K849A760-E846 HydrophobicContact CB-CB 3.97Å; G843-E846 PolarHBondContact O-N 3.12Å; E846-A848 PolarHBondContact O-N 3.34Å; E846-K849 WeakPolarHBondContact O-CB 3.19Å; E846-K849 PolarHBondContact O-N 2.96Å; E846-K849 IonicContact OE1-NZ 3.68Å; E846-K849 PolarHBondContact OE1-NZ 2.97Å; E846-K849 IonicContact OE2-NZ 2.78Å; E846-K849 PolarHBondContact OE2-NZ 2.94Å
847A96.7Very high94.1Very high0 Ų054.5 Ų54.50%030%0.303CS..Hα-helixtrans-62.1-31174.200000112.8A764 G843 K849 V850 F930A764-A847 HydrophobicContact CB-CB 3.41Å; A764-A847 VanDerWaalsContact CB-CB 3.41Å; G843-A847 PolarHBondContact O-N 3.12Å; A847-K849 PolarHBondContact O-N 2.87Å; A847-V850 PolarHBondContact O-N 3.32Å; A847-F930 HydrophobicContact CB-CD2 3.43Å; A847-F930 VanDerWaalsContact CB-CD2 3.43Å; A847-F930 HydrophobicContact CB-CE2 3.66Å; A847-F930 HydrophobicContact CB-CG 3.99Å; A847-F930 HydrophobicContact CB-CZ 4.37Å
848A96.9Very high94.1Very high15 Ų1557 Ų5712%0.12432%0.316CS..THydrogen-bonded Turntrans-66.7-13172.600000114.1V844 E846 E927 F930 V934V844-A848 WeakPolarHBondContact O-CB 3.38Å; V844-A848 PolarHBondContact O-N 3.47Å; E846-A848 PolarHBondContact O-N 3.34Å; A848-E927 WeakPolarHBondContact O-CA 3.46Å; A848-E927 WeakPolarHBondContact O-CB 3.47Å; A848-F930 HydrophobicContact CB-CB 3.82Å; A848-V934 HydrophobicContact CB-CG2 3.9Å
849K96.1Very high94.2Very high126 Ų12656.4 Ų56.455%0.54831%0.313SS..THydrogen-bonded Turntrans-100.40.1176.5-55.9170.1-162.8165.70113.5V845 E846 A847 P851V845-K849 WeakPolarHBondContact O-CE 3.3Å; V845-K849 WeakPolarHBondContact O-CG 3.28Å; E846-K849 WeakPolarHBondContact O-CB 3.19Å; E846-K849 PolarHBondContact O-N 2.96Å; E846-K849 IonicContact OE1-NZ 3.68Å; E846-K849 PolarHBondContact OE1-NZ 2.97Å; E846-K849 IonicContact OE2-NZ 2.78Å; E846-K849 PolarHBondContact OE2-NZ 2.94Å; A847-K849 PolarHBondContact O-N 2.87Å; K849-P851 WeakPolarHBondContact O-CD 3.23Å
850V95Very high94.3Very high8 Ų854.2 Ų54.25%0.04831%0.309CS..  trans-92.7110.1-175-178.90000110.8K757 A760 V761 A847 L855K757-V850 HydrophobicContact CB-CG1 4.01Å; K757-V850 HydrophobicContact CB-CG2 4.17Å; K757-V850 HydrophobicContact CG-CG1 4.29Å; K757-V850 HydrophobicContact CG-CG2 4.24Å; A760-V850 HydrophobicContact CB-CG2 4.46Å; V761-V850 HydrophobicContact CG2-CB 3.98Å; V761-V850 HydrophobicContact CG2-CG1 3.93Å; V761-V850 HydrophobicContact CG2-CG2 4.14Å; A847-V850 PolarHBondContact O-N 3.32Å; V850-L855 HydrophobicContact CG1-CB 4.27Å; V850-L855 HydrophobicContact CG1-CD2 3.99Å
851P92.9Very high94.3Very high49 Ų4954 Ų5432%0.31832%0.319SS..  trans-76.7130.1173.7-1.219.8000109K849 A854 L855 E927K849-P851 WeakPolarHBondContact O-CD 3.23Å; P851-A854 HydrophobicContact CB-CB 3.91Å; P851-A854 HydrophobicContact CG-CB 3.96Å; P851-L855 PolarHBondContact O-N 3.44Å; P851-L855 VanDerWaalsContact O-N 3.09Å; P851-E927 WeakPolarHBondContact CA-OE2 3.48Å
852T89.8Confident94.4Very high53 Ų5353.9 Ų53.933%0.32532%0.318SS..Hα-helixtrans-63.4-48-176.5-460000111.9A854 L855 T856 S925 P926T852-A854 VanDerWaalsContact C-N 3.35Å; T852-A854 PolarHBondContact O-N 3.02Å; T852-L855 PolarHBondContact O-N 3.05Å; T852-T856 PolarHBondContact O-N 3.11Å; T852-T856 PolarHBondContact O-OG1 3.18Å; T852-S925 WeakPolarHBondContact OG1-CB 3.4Å; T852-P926 WeakPolarHBondContact OG1-CD 3.39Å
853E90.1Very high94.7Very high159 Ų15951.9 Ų51.974%0.74331%0.306SS*.Hα-helixtrans-63.8-41.3-176.4-61.4-177.3173.100111.4T856 N857E853-T856 PolarHBondContact O-N 2.99Å; E853-N857 WeakPolarHBondContact O-CB 3.3Å; E853-N857 PolarHBondContact O-N 3.46Å; E853-N857 PolarHBondContact O-ND2 2.77Å
854A91.2Very high94.9Very high33 Ų3353.5 Ų53.527%0.27331%0.312SS..Hα-helixtrans-60.1-49.6173.700000111.3P851 T852 T856 N857 D858P851-A854 HydrophobicContact CB-CB 3.91Å; P851-A854 HydrophobicContact CG-CB 3.96Å; T852-A854 VanDerWaalsContact C-N 3.35Å; T852-A854 PolarHBondContact O-N 3.02Å; A854-T856 VanDerWaalsContact C-N 3.34Å; A854-T856 PolarHBondContact O-N 3.35Å; A854-N857 PolarHBondContact O-N 3.02Å; A854-D858 WeakPolarHBondContact O-CB 3.35Å; A854-D858 PolarHBondContact O-N 3.03Å
855L93.9Very high95Very high22 Ų2253.7 Ų53.712%0.11532%0.315CS..Hα-helixtrans-61.3-40.6178.3178.458.1000112.6V754 K757 I758 V850 P851 T852 V859V754-L855 HydrophobicContact CG1-CD1 4.16Å; K757-L855 HydrophobicContact CB-CD1 3.84Å; K757-L855 HydrophobicContact CB-CD2 4.31Å; K757-L855 HydrophobicContact CD-CD1 4.1Å; I758-L855 HydrophobicContact CG1-CD1 4.08Å; I758-L855 HydrophobicContact CG1-CD2 4.38Å; V850-L855 HydrophobicContact CG1-CB 4.27Å; V850-L855 HydrophobicContact CG1-CD2 3.99Å; P851-L855 PolarHBondContact O-N 3.44Å; P851-L855 VanDerWaalsContact O-N 3.09Å; T852-L855 PolarHBondContact O-N 3.05Å; L855-V859 HydrophobicContact CD1-CG2 4.16Å; L855-V859 VanDerWaalsContact O-CG2 3.3Å; L855-V859 WeakPolarHBondContact O-CG2 3.43Å; L855-V859 PolarHBondContact O-N 2.85Å; L855-V859 VanDerWaalsContact O-N 3.11Å
856T93.9Very high95Very high83 Ų8350.3 Ų50.351%0.50929%0.294SS..Hα-helixtrans-64.2-42.8176.3-61.20000111.7T852 E853 A854 A860T852-T856 PolarHBondContact O-N 3.11Å; T852-T856 PolarHBondContact O-OG1 3.18Å; E853-T856 PolarHBondContact O-N 2.99Å; A854-T856 VanDerWaalsContact C-N 3.34Å; A854-T856 PolarHBondContact O-N 3.35Å; T856-A860 WeakPolarHBondContact O-CB 3.47Å; T856-A860 PolarHBondContact O-N 3.35Å
857N95.6Very high95.1Very high107 Ų10749.6 Ų49.657%0.57230%0.299SS*.Hα-helixtrans-67.6-42177.7-68.4-20.1000112.1E853 A854 V859 A860 A861E853-N857 WeakPolarHBondContact O-CB 3.3Å; E853-N857 PolarHBondContact O-N 3.46Å; E853-N857 PolarHBondContact O-ND2 2.77Å; A854-N857 PolarHBondContact O-N 3.02Å; N857-V859 PolarHBondContact O-N 3.25Å; N857-A860 PolarHBondContact O-N 3.15Å; N857-A861 WeakPolarHBondContact O-CB 3.46Å; N857-A861 PolarHBondContact O-N 3.3Å
858D95.5Very high94.9Very high52 Ų5253.7 Ų53.728%0.27832%0.318SS..Hα-helixtrans-61.8-43.7178.2-61.5-20.6000111.4V754 K757 A854 A861 L862V754-D858 HydrophobicContact CG2-CB 3.42Å; V754-D858 VanDerWaalsContact CG2-CB 3.42Å; K757-D858 IonicContact NZ-OD2 2.7Å; K757-D858 PolarHBondContact NZ-OD2 3.31Å; A854-D858 WeakPolarHBondContact O-CB 3.35Å; A854-D858 PolarHBondContact O-N 3.03Å; D858-A861 PolarHBondContact O-N 2.64Å; D858-L862 PolarHBondContact O-N 2.99Å
859V97Very high94.9Very high15 Ų1553 Ų539%0.09131%0.313CS..Hα-helixtrans-63.4-45.5175.2172.10000110.7V754 L855 N857 A861 L862 V863 E900 A903V754-V859 HydrophobicContact CG1-CG2 3.6Å; L855-V859 HydrophobicContact CD1-CG2 4.16Å; L855-V859 VanDerWaalsContact O-CG2 3.3Å; L855-V859 WeakPolarHBondContact O-CG2 3.43Å; L855-V859 PolarHBondContact O-N 2.85Å; L855-V859 VanDerWaalsContact O-N 3.11Å; N857-V859 PolarHBondContact O-N 3.25Å; V859-A861 VanDerWaalsContact C-N 3.3Å; V859-A861 PolarHBondContact O-N 3.04Å; V859-L862 PolarHBondContact O-N 2.8Å; V859-V863 WeakPolarHBondContact O-CG2 3.32Å; V859-V863 PolarHBondContact O-N 3.05Å; V859-E900 HydrophobicContact CG1-CB 4.48Å; V859-A903 HydrophobicContact CG1-CB 4.41Å; V859-A903 HydrophobicContact CG2-CB 3.95Å
860A96.6Very high94.8Very high55 Ų5549 Ų4946%0.45530%0.297SS..Hα-helixtrans-62.6-36.5177.800000112.4T856 N857 V863 S864T856-A860 WeakPolarHBondContact O-CB 3.47Å; T856-A860 PolarHBondContact O-N 3.35Å; N857-A860 PolarHBondContact O-N 3.15Å; A860-V863 PolarHBondContact O-N 3.49Å; A860-S864 VanDerWaalsContact O-CB 3.24Å; A860-S864 WeakPolarHBondContact O-CB 3.49Å; A860-S864 PolarHBondContact O-N 3.21Å
861A95.9Very high94.7Very high61 Ų6154.8 Ų54.850%0.50432%0.322SS..Hα-helixtrans-66.1-42.3175.400000112.1N857 D858 V859 S864 G865N857-A861 WeakPolarHBondContact O-CB 3.46Å; N857-A861 PolarHBondContact O-N 3.3Å; D858-A861 PolarHBondContact O-N 2.64Å; V859-A861 VanDerWaalsContact C-N 3.3Å; V859-A861 PolarHBondContact O-N 3.04Å; A861-S864 PolarHBondContact O-N 2.93Å; A861-G865 PolarHBondContact O-N 3.43Å
862L97Very high94.7Very high5 Ų553 Ų533%0.02631%0.309CS..Hα-helixtrans-61.8-44.9174.2-73.2173.7000112.2F743 F747 N750 L751 V754 D858 V859 M866 V896F743-L862 HydrophobicContact CE2-CD2 4.25Å; F747-L862 HydrophobicContact CD2-CD2 3.98Å; F747-L862 HydrophobicContact CE2-CD2 3.96Å; N750-L862 HydrophobicContact CB-CD2 3.99Å; L751-L862 HydrophobicContact CD1-CD1 4.29Å; V754-L862 HydrophobicContact CB-CD1 4.04Å; V754-L862 HydrophobicContact CG1-CD1 4.18Å; V754-L862 HydrophobicContact CG2-CD1 3.86Å; D858-L862 PolarHBondContact O-N 2.99Å; V859-L862 PolarHBondContact O-N 2.8Å; L862-M866 VanDerWaalsContact O-CB 3.29Å; L862-M866 WeakPolarHBondContact O-CB 3.5Å; L862-M866 PolarHBondContact O-N 3.49Å; L862-V896 HydrophobicContact CB-CG1 4.45Å
863V97Very high94.8Very high43 Ų4351.7 Ų51.726%0.26130%0.301SS..Hα-helixtrans-64-45.5176.9174.20000111V859 A860 S867 V896 E900V859-V863 WeakPolarHBondContact O-CG2 3.32Å; V859-V863 PolarHBondContact O-N 3.05Å; A860-V863 PolarHBondContact O-N 3.49Å; V863-S867 WeakPolarHBondContact O-CB 3.19Å; V863-S867 PolarHBondContact O-N 2.98Å; V863-V896 HydrophobicContact CB-CG1 4.37Å; V863-V896 HydrophobicContact CG2-CG1 3.82Å; V863-E900 HydrophobicContact CG2-CB 4.14Å; V863-E900 HydrophobicContact CG2-CG 4.28Å
864S96.5Very high94.9Very high62 Ų6250.1 Ų50.143%0.43430%0.297SS..Hα-helixtrans-65.7-47.9-179.7-165.80000112.3A860 A861 M866 S867 Q868A860-S864 VanDerWaalsContact O-CB 3.24Å; A860-S864 WeakPolarHBondContact O-CB 3.49Å; A860-S864 PolarHBondContact O-N 3.21Å; A861-S864 PolarHBondContact O-N 2.93Å; S864-M866 VanDerWaalsContact C-N 3.34Å; S864-M866 PolarHBondContact O-N 3.42Å; S864-S867 WeakPolarHBondContact O-CB 3.35Å; S864-S867 PolarHBondContact O-N 3.01Å; S864-Q868 WeakPolarHBondContact O-CG 3.47Å; S864-Q868 PolarHBondContact O-N 3.15Å
865G95.9Very high94.8Very high7 Ų752 Ų527%0.07230%0.301CS..Hα-helixtrans-62.7-38.9177.900000112.6F743 A861 Q868 A869F743-G865 WeakPolarHBondContact CE1-O 3.45Å; F743-G865 VanDerWaalsContact CZ-C 3.41Å; A861-G865 PolarHBondContact O-N 3.43Å; G865-Q868 PolarHBondContact O-N 3.48Å; G865-A869 WeakPolarHBondContact O-CB 3.35Å; G865-A869 PolarHBondContact O-N 3.1Å
866M97.1Very high94.6Very high8 Ų852.7 Ų52.74%0.03930%0.304CS..Hα-helixtrans-65.8-40174.7-172.755.961.300111.7F743 F747 L862 S864 A869 D870 F888 N892 K893 V896F743-M866 HydrophobicContact CE1-CB 4.41Å; F743-M866 HydrophobicContact CE1-CE 4.19Å; F743-M866 HydrophobicContact CZ-CB 4.27Å; F743-M866 HydrophobicContact CZ-CE 4.41Å; F743-M866 VanDerWaalsContact CZ-N 3.27Å; F747-M866 HydrophobicContact CD2-CE 4.35Å; F747-M866 HydrophobicContact CE2-CE 3.74Å; F747-M866 HydrophobicContact CZ-CE 4.04Å; L862-M866 VanDerWaalsContact O-CB 3.29Å; L862-M866 WeakPolarHBondContact O-CB 3.5Å; L862-M866 PolarHBondContact O-N 3.49Å; S864-M866 VanDerWaalsContact C-N 3.34Å; S864-M866 PolarHBondContact O-N 3.42Å; M866-A869 PolarHBondContact O-N 3.22Å; M866-D870 WeakPolarHBondContact O-CB 3.37Å; M866-D870 PolarHBondContact O-N 3.23Å; M866-F888 HydrophobicContact CE-CD1 4.41Å; M866-F888 HydrophobicContact CE-CE1 3.58Å; M866-F888 HydrophobicContact CE-CZ 3.88Å; M866-F888 HydrophobicContact SD-CE1 4.22Å; M866-N892 HydrophobicContact CE-CB 3.52Å; M866-K893 HydrophobicContact CG-CB 4.35Å; M866-K893 HydrophobicContact CG-CG 4.48Å; M866-K893 HydrophobicContact SD-CB 4.16Å; M866-V896 HydrophobicContact CB-CB 4.41Å; M866-V896 HydrophobicContact CB-CG1 4.21Å; M866-V896 HydrophobicContact CB-CG2 4.12Å; M866-V896 HydrophobicContact CE-CG2 3.8Å; M866-V896 HydrophobicContact CG-CB 4.3Å; M866-V896 HydrophobicContact CG-CG2 4.13Å
867S95.6Very high94.1Very high78 Ų7850 Ų5055%0.54529%0.292SS..Hα-helixtrans-64.2-37.9174.4-172.90000112.5V863 S864 K871V863-S867 WeakPolarHBondContact O-CB 3.19Å; V863-S867 PolarHBondContact O-N 2.98Å; S864-S867 WeakPolarHBondContact O-CB 3.35Å; S864-S867 PolarHBondContact O-N 3.01Å; S867-K871 VanDerWaalsContact O-CB 3.24Å; S867-K871 WeakPolarHBondContact O-CB 3.36Å; S867-K871 PolarHBondContact O-N 2.75Å
868Q94.3Very high93.3Very high86 Ų8650.9 Ų50.940%0.40231%0.307SS..Hα-helixtrans-67-45.5174.1-71.6177.1-8.300112S864 G865 D870 K871 E872S864-Q868 WeakPolarHBondContact O-CG 3.47Å; S864-Q868 PolarHBondContact O-N 3.15Å; G865-Q868 PolarHBondContact O-N 3.48Å; Q868-D870 PolarHBondContact O-N 3.46Å; Q868-K871 PolarHBondContact O-N 2.92Å; Q868-E872 WeakPolarHBondContact O-CG 3.46Å; Q868-E872 PolarHBondContact O-N 3.09Å
869A95.3Very high92.5Very high1 Ų156.8 Ų56.81%0.00834%0.337CS..Hα-helixtrans-59-47.117600000111.6G865 M866 E872 T873 L885 F888 V889G865-A869 WeakPolarHBondContact O-CB 3.35Å; G865-A869 PolarHBondContact O-N 3.1Å; M866-A869 PolarHBondContact O-N 3.22Å; A869-E872 PolarHBondContact O-N 3.3Å; A869-T873 PolarHBondContact O-N 3.29Å; A869-T873 VanDerWaalsContact O-N 3.14Å; A869-L885 HydrophobicContact CB-CD1 3.92Å; A869-F888 HydrophobicContact CB-CD1 4.5Å; A869-F888 HydrophobicContact CB-CE1 4.28Å; A869-V889 HydrophobicContact CB-CG2 3.89Å
870D94.6Very high92Very high41 Ų4163.9 Ų63.922%0.21937%0.367CS..Hα-helixtrans-60.4-47.5175.6-168.727.1000111.5M866 Q868 E872 T873 I874 V889 K893M866-D870 WeakPolarHBondContact O-CB 3.37Å; M866-D870 PolarHBondContact O-N 3.23Å; Q868-D870 PolarHBondContact O-N 3.46Å; D870-E872 PolarHBondContact O-N 3.24Å; D870-T873 WeakPolarHBondContact O-CB 3.3Å; D870-T873 PolarHBondContact O-N 3.43Å; D870-T873 VanDerWaalsContact O-N 3.11Å; D870-T873 PolarHBondContact O-OG1 3.4Å; D870-I874 PolarHBondContact O-N 2.71Å; D870-V889 HydrophobicContact CB-CG1 4.08Å; D870-K893 IonicContact OD1-NZ 3.82Å; D870-K893 IonicContact OD2-NZ 3.86Å; D870-K893 PolarHBondContact OD2-NZ 2.83Å
871K94.1Very high91.7Very high130 Ų13062.4 Ų62.457%0.56535%0.352SS*.Hα-helixtrans-57-36.4175.5-176.7-176.1179.1-177.30112.8S867 Q868 I874 I875S867-K871 VanDerWaalsContact O-CB 3.24Å; S867-K871 WeakPolarHBondContact O-CB 3.36Å; S867-K871 PolarHBondContact O-N 2.75Å; Q868-K871 PolarHBondContact O-N 2.92Å; K871-I874 WeakPolarHBondContact O-CB 3.24Å; K871-I874 PolarHBondContact O-N 3.46Å; K871-I875 HydrophobicContact CG-CD1 4Å; K871-I875 WeakPolarHBondContact O-CD1 3.34Å; K871-I875 WeakPolarHBondContact O-CG1 3.45Å; K871-I875 PolarHBondContact O-N 3.43Å; K871-I875 VanDerWaalsContact O-N 3.1Å
872E91.4Very high91.5Very high11 Ų1160.2 Ų60.25%0.05133%0.333CS..Hα-helixtrans-75.7-30179.7-71.2-87173.700112.1R733 P736 I740 Q868 A869 D870 I874 I875 F876 L885R733-E872 IonicContact CZ-OE1 3.91Å; R733-E872 VanDerWaalsContact CZ-OE1 3.26Å; R733-E872 IonicContact CZ-OE2 3.37Å; R733-E872 IonicContact NE-OE1 2.85Å; R733-E872 PolarHBondContact NE-OE1 2.8Å; R733-E872 IonicContact NE-OE2 3.25Å; R733-E872 PolarHBondContact NE-OE2 3.46Å; R733-E872 IonicContact NH2-OE1 2.75Å; R733-E872 PolarHBondContact NH2-OE1 2.96Å; R733-E872 IonicContact NH2-OE2 2.74Å; P736-E872 WeakPolarHBondContact CB-OE1 3.47Å; I740-E872 HydrophobicContact CD1-CB 3.54Å; I740-E872 HydrophobicContact CD1-CG 3.48Å; I740-E872 VanDerWaalsContact CD1-CG 3.48Å; I740-E872 HydrophobicContact CG1-CG 4.37Å; Q868-E872 WeakPolarHBondContact O-CG 3.46Å; Q868-E872 PolarHBondContact O-N 3.09Å; A869-E872 PolarHBondContact O-N 3.3Å; D870-E872 PolarHBondContact O-N 3.24Å; E872-I874 PolarHBondContact O-N 2.96Å; E872-I875 HydrophobicContact CG-CD1 4.2Å; E872-I875 PolarHBondContact O-N 3.47Å; E872-I875 VanDerWaalsContact O-N 3.13Å; E872-F876 VanDerWaalsContact O-CD2 3.3Å; E872-F876 WeakPolarHBondContact O-CD2 3.25Å; E872-F876 PolarHBondContact O-N 3Å; E872-L885 HydrophobicContact CB-CD2 4.29Å
873T92.9Very high91.3Very high27 Ų2767 Ų6717%0.16636%0.364CS..Hα-helixtrans-57.7-36.916773.90000112.3A869 D870 G877 T881 L885 V889A869-T873 PolarHBondContact O-N 3.29Å; A869-T873 VanDerWaalsContact O-N 3.14Å; D870-T873 WeakPolarHBondContact O-CB 3.3Å; D870-T873 PolarHBondContact O-N 3.43Å; D870-T873 VanDerWaalsContact O-N 3.11Å; D870-T873 PolarHBondContact O-OG1 3.4Å; T873-G877 PolarHBondContact O-N 2.97Å; T873-T881 HydrophobicContact CG2-CG2 3.96Å; T873-T881 PolarHBondContact O-OG1 3.01Å; T873-T881 VanDerWaalsContact O-OG1 3.13Å; T873-L885 HydrophobicContact CG2-CD2 4.03Å; T873-L885 HydrophobicContact CG2-CG 3.81Å; T873-V889 HydrophobicContact CG2-CB 4.36Å; T873-V889 HydrophobicContact CG2-CG2 3.91Å
874I91.3Very high91.1Very high125 Ų12569 Ų6964%0.64137%0.367SS*.Hα-helixtrans-70.6-38.9177.4-57.2170.7000110.7D870 K871 E872 G877D870-I874 PolarHBondContact O-N 2.71Å; K871-I874 WeakPolarHBondContact O-CB 3.24Å; K871-I874 PolarHBondContact O-N 3.46Å; E872-I874 PolarHBondContact O-N 2.96Å; I874-G877 PolarHBondContact O-N 3.5Å
875I90Very high91.1Very high72 Ų7266 Ų6637%0.36935%0.346SS..Hα-helixtrans-68.2-44.1179.9-70.4158.9000111.9K871 E872 G877K871-I875 HydrophobicContact CG-CD1 4Å; K871-I875 WeakPolarHBondContact O-CD1 3.34Å; K871-I875 WeakPolarHBondContact O-CG1 3.45Å; K871-I875 PolarHBondContact O-N 3.43Å; K871-I875 VanDerWaalsContact O-N 3.1Å; E872-I875 HydrophobicContact CG-CD1 4.2Å; E872-I875 PolarHBondContact O-N 3.47Å; E872-I875 VanDerWaalsContact O-N 3.13Å; I875-G877 VanDerWaalsContact C-N 3.33Å
876F88.5Confident91Very high38 Ų3867.9 Ų67.917%0.16736%0.358CS..Hα-helixtrans-65-39.9173-82.3-78.5000111.5E872 T881 P882 L885E872-F876 VanDerWaalsContact O-CD2 3.3Å; E872-F876 WeakPolarHBondContact O-CD2 3.25Å; E872-F876 PolarHBondContact O-N 3Å; F876-T881 HydrophobicContact CB-CG2 4.44Å; F876-T881 WeakPolarHBondContact CB-OG1 3.48Å; F876-P882 HydrophobicContact CE1-CG 4.3Å; F876-P882 HydrophobicContact CE2-CG 4.42Å; F876-P882 HydrophobicContact CZ-CG 4.13Å; F876-L885 HydrophobicContact CD2-CD2 4.41Å; F876-L885 HydrophobicContact CE2-CD2 4.47Å
877G84.4Confident90.9Very high25 Ų2571 Ų7126%0.25838%0.375SS..  trans77.2155-177.300000113.1T873 I874 I875 L879 K880 T881T873-G877 PolarHBondContact O-N 2.97Å; I874-G877 PolarHBondContact O-N 3.5Å; I875-G877 VanDerWaalsContact C-N 3.33Å; G877-L879 PolarHBondContact O-N 3.09Å; G877-K880 PolarHBondContact O-N 3.49Å; G877-T881 PolarHBondContact O-N 3.4Å; G877-T881 PolarHBondContact O-OG1 2.77Å; G877-T881 VanDerWaalsContact O-OG1 3.05Å
878S77.7Confident90.9Very high127 Ų12768.1 Ų68.189%0.88835%0.353SS*.THydrogen-bonded Turntrans-52.1-15.9-164.3-172.50000117.9
879L80Confident91Very high176 Ų17664.6 Ų64.692%0.92134%0.337SS*.THydrogen-bonded Turntrans-107.4-8.5-179.8-66.7174.3000114.2G877G877-L879 PolarHBondContact O-N 3.09Å
880K86.4Confident91Very high164 Ų16472.7 Ų72.771%0.71337%0.372SS*.THydrogen-bonded Turntrans-124.1-10-177.4-60-175.9178.5-178.50114.1G877 P882G877-K880 PolarHBondContact O-N 3.49Å; K880-P882 WeakPolarHBondContact O-CD 3.4Å
881T89.2Confident91.1Very high23 Ų2375.3 Ų75.314%0.14139%0.386CS..SBendtrans-60.4125.4178.2-51.20000110.6T873 F876 G877 Q883 L885 S886T873-T881 HydrophobicContact CG2-CG2 3.96Å; T873-T881 PolarHBondContact O-OG1 3.01Å; T873-T881 VanDerWaalsContact O-OG1 3.13Å; F876-T881 HydrophobicContact CB-CG2 4.44Å; F876-T881 WeakPolarHBondContact CB-OG1 3.48Å; G877-T881 PolarHBondContact O-N 3.4Å; G877-T881 PolarHBondContact O-OG1 2.77Å; G877-T881 VanDerWaalsContact O-OG1 3.05Å; T881-Q883 PolarHBondContact O-N 2.9Å; T881-L885 HydrophobicContact CG2-CB 4.44Å; T881-L885 HydrophobicContact CG2-CD2 4.21Å; T881-L885 HydrophobicContact CG2-CG 4.44Å; T881-S886 VanDerWaalsContact CG2-OG 3.28Å; T881-S886 WeakPolarHBondContact CG2-OG 3.42Å
882P92.2Very high91.3Very high16 Ų1669.6 Ų69.610%0.10436%0.362CS..  trans-57.8133.4175.5-25.835.8000110.9N679 R680 L681 F876 K880 R884 L885 S886N679-P882 WeakPolarHBondContact O-CG 3.32Å; R680-P882 WeakPolarHBondContact O-CB 3.47Å; L681-P882 HydrophobicContact CD1-CB 4.19Å; L681-P882 HydrophobicContact CD1-CG 3.9Å; L681-P882 HydrophobicContact CG-CB 4.43Å; L681-P882 HydrophobicContact CG-CG 4.12Å; F876-P882 HydrophobicContact CE1-CG 4.3Å; F876-P882 HydrophobicContact CE2-CG 4.42Å; F876-P882 HydrophobicContact CZ-CG 4.13Å; K880-P882 WeakPolarHBondContact O-CD 3.4Å; P882-R884 PolarHBondContact O-N 3.44Å; P882-L885 PolarHBondContact O-N 3.43Å; P882-S886 PolarHBondContact O-N 3.3Å
883Q92.2Very high91.4Very high147 Ų14772.6 Ų72.669%0.68738%0.375SS*.Hα-helixtrans-54.9-40.8-175.8-177.7179.6-10.900111.9T881 L885 S886 D887T881-Q883 PolarHBondContact O-N 2.9Å; Q883-L885 PolarHBondContact O-N 2.91Å; Q883-S886 PolarHBondContact O-N 2.97Å; Q883-S886 VanDerWaalsContact O-N 3.16Å; Q883-D887 WeakPolarHBondContact CG-OD2 3.27Å; Q883-D887 PolarHBondContact NE2-OD2 3.45Å; Q883-D887 WeakPolarHBondContact O-CB 3.48Å; Q883-D887 PolarHBondContact O-N 2.88Å
884R94.4Very high91.6Very high84 Ų8477.1 Ų77.132%0.31740%0.398SS..Hα-helixtrans-52.7-39.4176.8-159.2-162.9176.9-167.8-4.3112.7L681 M744 N745 P882 F888L681-R884 WeakPolarHBondContact O-CD 3.48Å; L681-R884 PolarHBondContact O-NH1 3.05Å; M744-R884 HydrophobicContact CE-CB 4.22Å; M744-R884 HydrophobicContact CE-CG 3.61Å; M744-R884 WeakPolarHBondContact CE-O 3.23Å; N745-R884 PolarHBondContact OD1-NH1 3.08Å; N745-R884 VanDerWaalsContact OD1-NH1 3.14Å; N745-R884 PolarHBondContact OD1-NH2 3.23Å; P882-R884 PolarHBondContact O-N 3.44Å; R884-F888 WeakPolarHBondContact O-CB 3.27Å; R884-F888 PolarHBondContact O-N 3.41Å; R884-F888 VanDerWaalsContact O-N 3.1Å
885L95.4Very high91.8Very high0 Ų075.1 Ų75.10%038%0.384CS..Hα-helixtrans-77.2-42.8179.9178.762.2000111.8L681 I740 M744 A869 E872 T873 F876 T881 P882 Q883 F888 V889L681-L885 HydrophobicContact CD1-CB 3.84Å; L681-L885 HydrophobicContact CD1-CD2 3.89Å; L681-L885 HydrophobicContact CD1-CG 4.35Å; I740-L885 HydrophobicContact CG2-CD1 3.79Å; M744-L885 HydrophobicContact SD-CB 4.44Å; M744-L885 HydrophobicContact SD-CD1 3.77Å; A869-L885 HydrophobicContact CB-CD1 3.92Å; E872-L885 HydrophobicContact CB-CD2 4.29Å; T873-L885 HydrophobicContact CG2-CD2 4.03Å; T873-L885 HydrophobicContact CG2-CG 3.81Å; F876-L885 HydrophobicContact CD2-CD2 4.41Å; F876-L885 HydrophobicContact CE2-CD2 4.47Å; T881-L885 HydrophobicContact CG2-CB 4.44Å; T881-L885 HydrophobicContact CG2-CD2 4.21Å; T881-L885 HydrophobicContact CG2-CG 4.44Å; P882-L885 PolarHBondContact O-N 3.43Å; Q883-L885 PolarHBondContact O-N 2.91Å; L885-F888 PolarHBondContact O-N 2.88Å; L885-V889 HydrophobicContact CD1-CG2 4.05Å; L885-V889 WeakPolarHBondContact O-CG2 3.46Å; L885-V889 PolarHBondContact O-N 2.84Å
886S93.9Very high92.1Very high46 Ų4672 Ų7232%0.32237%0.368SS..Hα-helixtrans-57.7-49.5175.2-59.90000111.5T881 P882 Q883 F888 F890T881-S886 VanDerWaalsContact CG2-OG 3.28Å; T881-S886 WeakPolarHBondContact CG2-OG 3.42Å; P882-S886 PolarHBondContact O-N 3.3Å; Q883-S886 PolarHBondContact O-N 2.97Å; Q883-S886 VanDerWaalsContact O-N 3.16Å; S886-F888 VanDerWaalsContact C-N 3.35Å; S886-F888 PolarHBondContact O-N 2.7Å; S886-F890 VanDerWaalsContact O-CB 3.3Å; S886-F890 WeakPolarHBondContact O-CB 3.31Å; S886-F890 PolarHBondContact O-N 3.2Å
887D94.9Very high92.5Very high73 Ų7374.7 Ų74.739%0.3938%0.382SS..Hα-helixtrans-65.8-38.7179.3-66.3-12.9000110.8Q883 N891Q883-D887 WeakPolarHBondContact CG-OD2 3.27Å; Q883-D887 PolarHBondContact NE2-OD2 3.45Å; Q883-D887 WeakPolarHBondContact O-CB 3.48Å; Q883-D887 PolarHBondContact O-N 2.88Å; D887-N891 VanDerWaalsContact O-CB 3.29Å; D887-N891 WeakPolarHBondContact O-CB 3.44Å; D887-N891 VanDerWaalsContact O-CG 3.25Å; D887-N891 PolarHBondContact O-N 2.92Å; D887-N891 PolarHBondContact O-ND2 2.84Å
888F96.9Very high93.1Very high19 Ų1976.8 Ų76.88%0.08339%0.392CS..Hα-helixtrans-63.8-50.8177174.8-90.5000112.6F743 M744 F747 M866 A869 R884 L885 S886 F890 N891 N892F743-F888 HydrophobicContact CD1-CE1 4.04Å; F743-F888 HydrophobicContact CD1-CZ 4Å; F743-F888 AromaticContact CE1-CE1 3.69Å; F743-F888 HydrophobicContact CE1-CE1 3.69Å; F743-F888 AromaticContact CE1-CZ 3.67Å; F743-F888 HydrophobicContact CE1-CZ 3.67Å; F743-F888 HydrophobicContact CZ-CZ 4.47Å; M744-F888 HydrophobicContact CB-CD2 4.23Å; M744-F888 HydrophobicContact CB-CE2 4.13Å; M744-F888 HydrophobicContact CB-CZ 4.41Å; M744-F888 HydrophobicContact CE-CB 3.77Å; M744-F888 HydrophobicContact CE-CD2 4.3Å; M744-F888 HydrophobicContact CE-CG 4Å; M744-F888 HydrophobicContact CG-CD1 3.74Å; M744-F888 HydrophobicContact CG-CD2 3.87Å; M744-F888 HydrophobicContact CG-CE1 3.79Å; M744-F888 HydrophobicContact CG-CE2 3.92Å; M744-F888 HydrophobicContact CG-CG 3.78Å; M744-F888 HydrophobicContact CG-CZ 3.88Å; M744-F888 HydrophobicContact SD-CB 4.38Å; M744-F888 HydrophobicContact SD-CD1 4.28Å; M744-F888 HydrophobicContact SD-CG 4.22Å; F747-F888 HydrophobicContact CB-CE2 3.62Å; F747-F888 HydrophobicContact CB-CZ 3.8Å; F747-F888 AromaticContact CD1-CE2 3.82Å; F747-F888 HydrophobicContact CD1-CE2 3.82Å; F747-F888 HydrophobicContact CD1-CZ 4.13Å; F747-F888 HydrophobicContact CD2-CE2 4.26Å; F747-F888 AromaticContact CD2-CZ 3.76Å; F747-F888 HydrophobicContact CD2-CZ 3.76Å; F747-F888 HydrophobicContact CE2-CZ 4.41Å; F747-F888 AromaticContact CG-CE2 3.62Å; F747-F888 HydrophobicContact CG-CE2 3.62Å; F747-F888 AromaticContact CG-CZ 3.6Å; F747-F888 HydrophobicContact CG-CZ 3.6Å; M866-F888 HydrophobicContact CE-CD1 4.41Å; M866-F888 HydrophobicContact CE-CE1 3.58Å; M866-F888 HydrophobicContact CE-CZ 3.88Å; M866-F888 HydrophobicContact SD-CE1 4.22Å; A869-F888 HydrophobicContact CB-CD1 4.5Å; A869-F888 HydrophobicContact CB-CE1 4.28Å; R884-F888 WeakPolarHBondContact O-CB 3.27Å; R884-F888 PolarHBondContact O-N 3.41Å; R884-F888 VanDerWaalsContact O-N 3.1Å; L885-F888 PolarHBondContact O-N 2.88Å; S886-F888 VanDerWaalsContact C-N 3.35Å; S886-F888 PolarHBondContact O-N 2.7Å; F888-F890 PolarHBondContact O-N 3.06Å; F888-N891 PolarHBondContact O-N 3.27Å; F888-N892 WeakPolarHBondContact CD2-ND2 3.36Å; F888-N892 WeakPolarHBondContact CE2-ND2 3.35Å; F888-N892 VanDerWaalsContact O-CB 3.25Å; F888-N892 WeakPolarHBondContact O-CB 3.42Å; F888-N892 PolarHBondContact O-N 3.42Å; F888-N892 PolarHBondContact O-ND2 3.25Å
889V96.4Very high93.9Very high11 Ų1171.5 Ų71.57%0.06735%0.354CS..Hα-helixtrans-63.1-44.5179.8173.60000110.3A869 D870 T873 L885 N891 N892 K893A869-V889 HydrophobicContact CB-CG2 3.89Å; D870-V889 HydrophobicContact CB-CG1 4.08Å; T873-V889 HydrophobicContact CG2-CB 4.36Å; T873-V889 HydrophobicContact CG2-CG2 3.91Å; L885-V889 HydrophobicContact CD1-CG2 4.05Å; L885-V889 WeakPolarHBondContact O-CG2 3.46Å; L885-V889 PolarHBondContact O-N 2.84Å; V889-N891 PolarHBondContact O-N 2.83Å; V889-N892 PolarHBondContact O-N 3.4Å; V889-K893 HydrophobicContact CG1-CD 4.44Å; V889-K893 WeakPolarHBondContact O-CB 3.29Å; V889-K893 PolarHBondContact O-N 3.29Å
890F95.2Very high94.7Very high171 Ų17167.8 Ų67.875%0.7533%0.332SS*.Hα-helixtrans-58.7-46.6178.1179.6-98.7000112.8S886 F888S886-F890 VanDerWaalsContact O-CB 3.3Å; S886-F890 WeakPolarHBondContact O-CB 3.31Å; S886-F890 PolarHBondContact O-N 3.2Å; F888-F890 PolarHBondContact O-N 3.06Å
891N96Very high95.2Very high96 Ų9666.9 Ų66.951%0.51333%0.328SS..Hα-helixtrans-77.1-25.2-176-71.9-45.8000114.1D887 F888 V889D887-N891 VanDerWaalsContact O-CB 3.29Å; D887-N891 WeakPolarHBondContact O-CB 3.44Å; D887-N891 VanDerWaalsContact O-CG 3.25Å; D887-N891 PolarHBondContact O-N 2.92Å; D887-N891 PolarHBondContact O-ND2 2.84Å; F888-N891 PolarHBondContact O-N 3.27Å; V889-N891 PolarHBondContact O-N 2.83Å
892N97.3Very high95.6Very high10 Ų1068.6 Ų68.65%0.05333%0.334CS..Hα-helixtrans-115.5-19.8-167-66.5-39.2000115.4F747 E748 M866 F888 V889 L894 K895 V896F747-N892 HydrophobicContact CD1-CB 4.37Å; F747-N892 HydrophobicContact CE1-CB 3.6Å; F747-N892 WeakPolarHBondContact CE1-OD1 3.36Å; F747-N892 HydrophobicContact CZ-CB 3.69Å; E748-N892 PolarHBondContact OE1-OD1 3.42Å; M866-N892 HydrophobicContact CE-CB 3.52Å; F888-N892 WeakPolarHBondContact CD2-ND2 3.36Å; F888-N892 WeakPolarHBondContact CE2-ND2 3.35Å; F888-N892 VanDerWaalsContact O-CB 3.25Å; F888-N892 WeakPolarHBondContact O-CB 3.42Å; F888-N892 PolarHBondContact O-N 3.42Å; F888-N892 PolarHBondContact O-ND2 3.25Å; V889-N892 PolarHBondContact O-N 3.4Å; N892-L894 PolarHBondContact O-N 3.08Å; N892-K895 WeakPolarHBondContact O-CA 3.46Å; N892-K895 WeakPolarHBondContact O-CB 3.46Å; N892-K895 PolarHBondContact O-N 3.06Å; N892-K895 WeakPolarHBondContact OD1-CD 3.32Å; N892-K895 WeakPolarHBondContact OD1-CE 3.37Å; N892-K895 PolarHBondContact OD1-NZ 3.48Å; N892-V896 PolarHBondContact O-N 3.32Å; N892-V896 VanDerWaalsContact O-N 3.09Å
893K95.4Very high95.8Very high74 Ų7468.7 Ų68.732%0.32234%0.336SS..Hα-helixtrans-55.8-49.3-179-179.3170179.2170.80112.9M866 D870 V889 K895 V896 E897M866-K893 HydrophobicContact CG-CB 4.35Å; M866-K893 HydrophobicContact CG-CG 4.48Å; M866-K893 HydrophobicContact SD-CB 4.16Å; D870-K893 IonicContact OD1-NZ 3.82Å; D870-K893 IonicContact OD2-NZ 3.86Å; D870-K893 PolarHBondContact OD2-NZ 2.83Å; V889-K893 HydrophobicContact CG1-CD 4.44Å; V889-K893 WeakPolarHBondContact O-CB 3.29Å; V889-K893 PolarHBondContact O-N 3.29Å; K893-K895 VanDerWaalsContact C-N 3.29Å; K893-K895 PolarHBondContact O-N 3.2Å; K893-V896 PolarHBondContact O-N 3.12Å; K893-E897 PolarHBondContact O-N 3.35Å; K893-E897 VanDerWaalsContact O-N 3.11Å
894L95.4Very high95.9Very high123 Ų12365.6 Ų65.664%0.64432%0.322SS*.Hα-helixtrans-65.7-27.7176.5-63.6177.5000113.2N892 S898N892-L894 PolarHBondContact O-N 3.08Å; L894-S898 WeakPolarHBondContact O-CB 3.43Å; L894-S898 PolarHBondContact O-N 3.41Å; L894-S898 VanDerWaalsContact O-N 3.07Å
895K95.9Very high96Very high82 Ų8264.3 Ų64.336%0.35732%0.321SS..Hα-helixtrans-66.6-42.5173.6-59.1-177.1-172.3168.30110.7E748 L751 N892 K893 S898 I899E748-K895 IonicContact OE1-NZ 2.71Å; E748-K895 PolarHBondContact OE1-NZ 3.37Å; E748-K895 IonicContact OE2-NZ 3.8Å; L751-K895 HydrophobicContact CD2-CD 3.94Å; N892-K895 WeakPolarHBondContact O-CA 3.46Å; N892-K895 WeakPolarHBondContact O-CB 3.46Å; N892-K895 PolarHBondContact O-N 3.06Å; N892-K895 WeakPolarHBondContact OD1-CD 3.32Å; N892-K895 WeakPolarHBondContact OD1-CE 3.37Å; N892-K895 PolarHBondContact OD1-NZ 3.48Å; K893-K895 VanDerWaalsContact C-N 3.29Å; K893-K895 PolarHBondContact O-N 3.2Å; K895-S898 WeakPolarHBondContact O-CB 3.47Å; K895-S898 PolarHBondContact O-N 2.97Å; K895-I899 WeakPolarHBondContact O-CG1 3.47Å; K895-I899 PolarHBondContact O-N 3.26Å
896V97.2Very high96Very high6 Ų664.5 Ų64.54%0.03632%0.322CS..Hα-helixtrans-66.9-46.5179.8176.40000111.1F747 L862 V863 M866 N892 K893 S898 I899 E900F747-V896 HydrophobicContact CE2-CG2 3.56Å; F747-V896 HydrophobicContact CZ-CG2 3.68Å; L862-V896 HydrophobicContact CB-CG1 4.45Å; V863-V896 HydrophobicContact CB-CG1 4.37Å; V863-V896 HydrophobicContact CG2-CG1 3.82Å; M866-V896 HydrophobicContact CB-CB 4.41Å; M866-V896 HydrophobicContact CB-CG1 4.21Å; M866-V896 HydrophobicContact CB-CG2 4.12Å; M866-V896 HydrophobicContact CE-CG2 3.8Å; M866-V896 HydrophobicContact CG-CB 4.3Å; M866-V896 HydrophobicContact CG-CG2 4.13Å; N892-V896 PolarHBondContact O-N 3.32Å; N892-V896 VanDerWaalsContact O-N 3.09Å; K893-V896 PolarHBondContact O-N 3.12Å; V896-S898 PolarHBondContact O-N 3.12Å; V896-I899 PolarHBondContact O-N 3.25Å; V896-I899 VanDerWaalsContact O-N 3.13Å; V896-E900 PolarHBondContact O-N 3.26Å
897E95.7Very high96Very high96 Ų9668.2 Ų68.245%0.44933%0.329SS..Hα-helixtrans-57.7-37.7173.6-68172.7-16700112K893 K901K893-E897 PolarHBondContact O-N 3.35Å; K893-E897 VanDerWaalsContact O-N 3.11Å; E897-K901 WeakPolarHBondContact O-CB 3.49Å; E897-K901 PolarHBondContact O-N 3.46Å
898S96.6Very high96Very high68 Ų6867.5 Ų67.548%0.47633%0.325SS..Hα-helixtrans-67.2-43.3174.6-169.10000112.6L894 K895 V896 K901 E902L894-S898 WeakPolarHBondContact O-CB 3.43Å; L894-S898 PolarHBondContact O-N 3.41Å; L894-S898 VanDerWaalsContact O-N 3.07Å; K895-S898 WeakPolarHBondContact O-CB 3.47Å; K895-S898 PolarHBondContact O-N 2.97Å; V896-S898 PolarHBondContact O-N 3.12Å; S898-K901 PolarHBondContact O-N 3.1Å; S898-E902 WeakPolarHBondContact O-CB 3.47Å; S898-E902 WeakPolarHBondContact O-CG 3.32Å; S898-E902 PolarHBondContact O-N 3.12Å
899I95.9Very high95.9Very high16 Ų1668.6 Ų68.68%0.08233%0.331CS..Hα-helixtrans-66.7-40.8179.1-76.5-68.9000112.2L751 V754 N755 I758 K895 V896 K901 E902 A903L751-I899 HydrophobicContact CD1-CG1 3.82Å; V754-I899 HydrophobicContact CG1-CG2 3.66Å; N755-I899 HydrophobicContact CB-CD1 3.81Å; I758-I899 HydrophobicContact CD1-CD1 4.36Å; I758-I899 HydrophobicContact CD1-CG2 3.95Å; K895-I899 WeakPolarHBondContact O-CG1 3.47Å; K895-I899 PolarHBondContact O-N 3.26Å; V896-I899 PolarHBondContact O-N 3.25Å; V896-I899 VanDerWaalsContact O-N 3.13Å; I899-K901 VanDerWaalsContact C-N 3.33Å; I899-K901 PolarHBondContact O-N 3.43Å; I899-E902 PolarHBondContact O-N 2.92Å; I899-A903 WeakPolarHBondContact O-CB 3.38Å; I899-A903 PolarHBondContact O-N 3.23Å
900E96.7Very high95.9Very high99 Ų9969 Ų6946%0.46333%0.332SS..Hα-helixtrans-58.1-47.1174.3-177.7178.2-153.500111V859 V863 V896 A903 E904V859-E900 HydrophobicContact CG1-CB 4.48Å; V863-E900 HydrophobicContact CG2-CB 4.14Å; V863-E900 HydrophobicContact CG2-CG 4.28Å; V896-E900 PolarHBondContact O-N 3.26Å; E900-A903 PolarHBondContact O-N 3Å; E900-E904 PolarHBondContact O-N 3.27Å; E900-E904 VanDerWaalsContact O-N 3.09Å
901K96.8Very high95.9Very high145 Ų14562.7 Ų62.763%0.6331%0.311SS*.Hα-helixtrans-63.9-40.8176.6-175.1-179.7179.4-178.30112.8E897 S898 I899 E904 I905E897-K901 WeakPolarHBondContact O-CB 3.49Å; E897-K901 PolarHBondContact O-N 3.46Å; S898-K901 PolarHBondContact O-N 3.1Å; I899-K901 VanDerWaalsContact C-N 3.33Å; I899-K901 PolarHBondContact O-N 3.43Å; K901-E904 PolarHBondContact O-N 3.3Å; K901-I905 HydrophobicContact CG-CD1 4.18Å; K901-I905 VanDerWaalsContact O-CG1 3.29Å; K901-I905 WeakPolarHBondContact O-CG1 3.47Å; K901-I905 PolarHBondContact O-N 2.76Å
902E96.5Very high95.8Very high58 Ų5865.8 Ų65.827%0.27132%0.316SS..Hα-helixtrans-69-37.3178.3-82.1-68.2134.800112.5I758 R762 S898 I899 I905 A906I758-E902 HydrophobicContact CG2-CB 4.19Å; R762-E902 IonicContact CZ-OE2 2.83Å; R762-E902 IonicContact NH1-OE1 3.77Å; R762-E902 PolarHBondContact NH1-OE1 3.03Å; R762-E902 IonicContact NH1-OE2 2.83Å; R762-E902 PolarHBondContact NH1-OE2 3.35Å; S898-E902 WeakPolarHBondContact O-CB 3.47Å; S898-E902 WeakPolarHBondContact O-CG 3.32Å; S898-E902 PolarHBondContact O-N 3.12Å; I899-E902 PolarHBondContact O-N 2.92Å; E902-I905 PolarHBondContact O-N 3.3Å; E902-A906 WeakPolarHBondContact O-CB 3.4Å; E902-A906 PolarHBondContact O-N 3.36Å
903A96.4Very high95.7Very high18 Ų1865.4 Ų65.415%0.14931%0.314CS..Hα-helixtrans-60.8-44.8171.500000111.6I758 V859 I899 E900 A906 R907I758-A903 HydrophobicContact CD1-CB 3.74Å; I758-A903 HydrophobicContact CG1-CB 4.09Å; V859-A903 HydrophobicContact CG1-CB 4.41Å; V859-A903 HydrophobicContact CG2-CB 3.95Å; I899-A903 WeakPolarHBondContact O-CB 3.38Å; I899-A903 PolarHBondContact O-N 3.23Å; E900-A903 PolarHBondContact O-N 3Å; A903-A906 PolarHBondContact O-N 3.39Å; A903-R907 WeakPolarHBondContact O-CB 3.49Å; A903-R907 PolarHBondContact O-N 3.33Å
904E95.7Very high95.7Very high82 Ų8262.6 Ų62.638%0.38330%0.302SS..Hα-helixtrans-64.9-38.1176.7174.857.4-165.700112.3E900 K901 R907 N908E900-E904 PolarHBondContact O-N 3.27Å; E900-E904 VanDerWaalsContact O-N 3.09Å; K901-E904 PolarHBondContact O-N 3.3Å; E904-R907 IonicContact OE1-CZ 3.26Å; E904-R907 IonicContact OE1-NH2 3.31Å; E904-R907 PolarHBondContact OE1-NH2 3.42Å; E904-R907 IonicContact OE2-CZ 3.88Å; E904-R907 IonicContact OE2-NE 2.63Å; E904-R907 PolarHBondContact OE2-NE 2.99Å; E904-R907 IonicContact OE2-NH2 3.93Å; E904-R907 PolarHBondContact OE2-NH2 3.18Å; E904-N908 VanDerWaalsContact CD-ND2 3.29Å; E904-N908 WeakPolarHBondContact O-CB 3.23Å; E904-N908 PolarHBondContact O-N 3.47Å; E904-N908 PolarHBondContact O-ND2 3.18Å; E904-N908 PolarHBondContact OE1-ND2 3.43Å
905I95.5Very high95.6Very high58 Ų5863 Ų6330%0.29730%0.301SS..Hα-helixtrans-62.8-46.9171.9-70.8163.6000110.8K901 E902 N908 M909K901-I905 HydrophobicContact CG-CD1 4.18Å; K901-I905 VanDerWaalsContact O-CG1 3.29Å; K901-I905 WeakPolarHBondContact O-CG1 3.47Å; K901-I905 PolarHBondContact O-N 2.76Å; E902-I905 PolarHBondContact O-N 3.3Å; I905-N908 PolarHBondContact O-N 3.45Å; I905-M909 HydrophobicContact CG2-CE 4.48Å; I905-M909 WeakPolarHBondContact O-CB 3.47Å; I905-M909 PolarHBondContact O-N 2.88Å
906A95.5Very high95.5Very high3 Ų366 Ų663%0.02531%0.31CS..Hα-helixtrans-62.6-43.1178.600000112I758 R762 E902 A903 N908 M909 F910I758-A906 HydrophobicContact CG2-CB 3.93Å; R762-A906 HydrophobicContact CB-CB 4.05Å; E902-A906 WeakPolarHBondContact O-CB 3.4Å; E902-A906 PolarHBondContact O-N 3.36Å; A903-A906 PolarHBondContact O-N 3.39Å; A906-N908 PolarHBondContact O-N 2.89Å; A906-M909 PolarHBondContact O-N 3.46Å; A906-F910 WeakPolarHBondContact O-CB 3.43Å; A906-F910 PolarHBondContact O-N 3.26Å
907R94.5Very high95.3Very high124 Ų12467 Ų6747%0.46831%0.314SS..Hα-helixtrans-58.9-47175.9-168.8-169.86666.25.3112A903 E904 F910 A911A903-R907 WeakPolarHBondContact O-CB 3.49Å; A903-R907 PolarHBondContact O-N 3.33Å; E904-R907 IonicContact OE1-CZ 3.26Å; E904-R907 IonicContact OE1-NH2 3.31Å; E904-R907 PolarHBondContact OE1-NH2 3.42Å; E904-R907 IonicContact OE2-CZ 3.88Å; E904-R907 IonicContact OE2-NE 2.63Å; E904-R907 PolarHBondContact OE2-NE 2.99Å; E904-R907 IonicContact OE2-NH2 3.93Å; E904-R907 PolarHBondContact OE2-NH2 3.18Å; R907-F910 PolarHBondContact O-N 3.25Å; R907-A911 PolarHBondContact O-N 3.13Å
908N94.7Very high95.1Very high59 Ų5964.3 Ų64.332%0.31631%0.312SS..Hα-helixtrans-69.6-32.6177.1-72.2-47.2000112.8E904 I905 A906 R912E904-N908 VanDerWaalsContact CD-ND2 3.29Å; E904-N908 WeakPolarHBondContact O-CB 3.23Å; E904-N908 PolarHBondContact O-N 3.47Å; E904-N908 PolarHBondContact O-ND2 3.18Å; E904-N908 PolarHBondContact OE1-ND2 3.43Å; I905-N908 PolarHBondContact O-N 3.45Å; A906-N908 PolarHBondContact O-N 2.89Å; N908-R912 WeakPolarHBondContact O-CG 3.33Å; N908-R912 PolarHBondContact O-N 2.99Å; N908-R912 VanDerWaalsContact O-N 3.16Å
909M94.3Very high94.9Very high42 Ų4261.5 Ų61.521%0.20729%0.291CS..Hα-helixtrans-67.3-43.6174.2-156.2-172.9-63.300110.9R762 L766 I905 A906 R912 T913R762-M909 HydrophobicContact CG-CE 3.64Å; R762-M909 HydrophobicContact CG-SD 4.14Å; L766-M909 HydrophobicContact CB-SD 4Å; I905-M909 HydrophobicContact CG2-CE 4.48Å; I905-M909 WeakPolarHBondContact O-CB 3.47Å; I905-M909 PolarHBondContact O-N 2.88Å; A906-M909 PolarHBondContact O-N 3.46Å; M909-R912 PolarHBondContact O-N 3.48Å; M909-T913 PolarHBondContact O-N 2.81Å; M909-T913 PolarHBondContact O-OG1 3.3Å; M909-T913 VanDerWaalsContact O-OG1 3.11Å
910F96.2Very high94.5Very high18 Ų1862.8 Ų62.88%0.07930%0.304CS..Hα-helixtrans-61.4-44.5174.2178.8-103.8000112.8V761 S765 A906 R907 R912 T913 I914 P924 P926 F929 F930V761-F910 HydrophobicContact CG1-CB 4.02Å; V761-F910 HydrophobicContact CG1-CD2 4.46Å; V761-F910 HydrophobicContact CG1-CG 4.41Å; S765-F910 VanDerWaalsContact OG-CA 3.29Å; S765-F910 WeakPolarHBondContact OG-CA 3.43Å; A906-F910 WeakPolarHBondContact O-CB 3.43Å; A906-F910 PolarHBondContact O-N 3.26Å; R907-F910 PolarHBondContact O-N 3.25Å; F910-R912 VanDerWaalsContact C-N 3.28Å; F910-R912 PolarHBondContact O-N 3.16Å; F910-T913 WeakPolarHBondContact O-CA 3.06Å; F910-T913 WeakPolarHBondContact O-CB 3.47Å; F910-T913 PolarHBondContact O-N 2.97Å; F910-I914 HydrophobicContact CD1-CG2 4.41Å; F910-I914 HydrophobicContact CD2-CG2 4.36Å; F910-I914 HydrophobicContact CE1-CD1 4.45Å; F910-I914 HydrophobicContact CE1-CG2 3.81Å; F910-I914 HydrophobicContact CE2-CG2 3.74Å; F910-I914 HydrophobicContact CZ-CG2 3.43Å; F910-I914 VanDerWaalsContact CZ-CG2 3.43Å; F910-I914 PolarHBondContact O-N 2.82Å; F910-P924 VanDerWaalsContact CE1-O 3.28Å; F910-P924 WeakPolarHBondContact CE1-O 3.48Å; F910-P924 WeakPolarHBondContact CZ-O 3.37Å; F910-P926 HydrophobicContact CD1-CG 4.01Å; F910-P926 HydrophobicContact CD2-CB 4.33Å; F910-P926 HydrophobicContact CD2-CG 4.13Å; F910-P926 HydrophobicContact CE1-CG 3.85Å; F910-P926 HydrophobicContact CE2-CB 3.99Å; F910-P926 HydrophobicContact CE2-CG 3.99Å; F910-P926 HydrophobicContact CG-CG 4.14Å; F910-P926 HydrophobicContact CZ-CB 4.16Å; F910-P926 HydrophobicContact CZ-CG 3.85Å; F910-F929 HydrophobicContact CE2-CB 3.99Å; F910-F929 AromaticContact CE2-CD1 3.8Å; F910-F929 HydrophobicContact CE2-CD1 3.8Å; F910-F929 HydrophobicContact CE2-CG 4.07Å; F910-F929 HydrophobicContact CZ-CB 3.89Å; F910-F929 HydrophobicContact CZ-CD1 4.46Å; F910-F929 HydrophobicContact CZ-CG 4.28Å; F910-F930 AromaticContact CD2-CE2 3.76Å; F910-F930 HydrophobicContact CD2-CE2 3.76Å; F910-F930 AromaticContact CD2-CZ 3.99Å; F910-F930 HydrophobicContact CD2-CZ 3.99Å; F910-F930 HydrophobicContact CE2-CD2 4.35Å; F910-F930 AromaticContact CE2-CE2 3.76Å; F910-F930 HydrophobicContact CE2-CE2 3.76Å; F910-F930 HydrophobicContact CE2-CZ 4.16Å
911A94.7Very high93.8Very high39 Ų3965.9 Ų65.932%0.32232%0.319SS..Hα-helixtrans-55.2-43.117400000112.3R907 I914 E915R907-A911 PolarHBondContact O-N 3.13Å; A911-I914 WeakPolarHBondContact O-CG1 3.07Å; A911-E915 WeakPolarHBondContact O-CB 3.42Å; A911-E915 PolarHBondContact O-N 3.45Å; A911-E915 VanDerWaalsContact O-N 3.1Å
912R94.8Very high93.3Very high162 Ų16264.1 Ų64.161%0.61132%0.315SS*.Hα-helixtrans-69.6-27.8174.6-69.5170.2178.2176.70.8113.4N908 M909 F910 W916N908-R912 WeakPolarHBondContact O-CG 3.33Å; N908-R912 PolarHBondContact O-N 2.99Å; N908-R912 VanDerWaalsContact O-N 3.16Å; M909-R912 PolarHBondContact O-N 3.48Å; F910-R912 VanDerWaalsContact C-N 3.28Å; F910-R912 PolarHBondContact O-N 3.16Å; R912-W916 VanDerWaalsContact O-CB 3.25Å; R912-W916 WeakPolarHBondContact O-CB 3.47Å; R912-W916 PolarHBondContact O-N 2.82Å
913T94.9Very high93Very high1 Ų169.7 Ų69.71%0.00634%0.338CS..Hα-helixtrans-72.2-45.7174.2-56.90000110.8S765 L768 M909 F910 E915 W916 F917 F929S765-T913 VanDerWaalsContact CB-OG1 3.25Å; S765-T913 WeakPolarHBondContact CB-OG1 3.35Å; S765-T913 PolarHBondContact O-OG1 3.01Å; S765-T913 PolarHBondContact OG-OG1 3.22Å; S765-T913 VanDerWaalsContact OG-OG1 3.11Å; L768-T913 HydrophobicContact CD2-CG2 4.18Å; M909-T913 PolarHBondContact O-N 2.81Å; M909-T913 PolarHBondContact O-OG1 3.3Å; M909-T913 VanDerWaalsContact O-OG1 3.11Å; F910-T913 WeakPolarHBondContact O-CA 3.06Å; F910-T913 WeakPolarHBondContact O-CB 3.47Å; F910-T913 PolarHBondContact O-N 2.97Å; T913-E915 VanDerWaalsContact C-N 3.3Å; T913-E915 PolarHBondContact O-N 2.7Å; T913-W916 WeakPolarHBondContact O-CB 3.16Å; T913-W916 PolarHBondContact O-N 3.18Å; T913-F917 HydrophobicContact CG2-CD2 4.09Å; T913-F917 HydrophobicContact CG2-CE2 4.13Å; T913-F917 WeakPolarHBondContact O-CD2 3.32Å; T913-F917 PolarHBondContact O-N 3.32Å; T913-F929 HydrophobicContact CG2-CE1 3.87Å; T913-F929 HydrophobicContact CG2-CZ 4.07Å
914I94.9Very high92.8Very high15 Ų1569.6 Ų69.68%0.07734%0.336CS..Hα-helixtrans-66.8-32.9177.865.5172.5000112F910 A911 G918 E919 A920 P924 F929F910-I914 HydrophobicContact CD1-CG2 4.41Å; F910-I914 HydrophobicContact CD2-CG2 4.36Å; F910-I914 HydrophobicContact CE1-CD1 4.45Å; F910-I914 HydrophobicContact CE1-CG2 3.81Å; F910-I914 HydrophobicContact CE2-CG2 3.74Å; F910-I914 HydrophobicContact CZ-CG2 3.43Å; F910-I914 VanDerWaalsContact CZ-CG2 3.43Å; F910-I914 PolarHBondContact O-N 2.82Å; A911-I914 WeakPolarHBondContact O-CG1 3.07Å; I914-G918 PolarHBondContact O-N 3.18Å; I914-E919 PolarHBondContact O-N 3.46Å; I914-A920 PolarHBondContact O-N 2.59Å; I914-P924 HydrophobicContact CG2-CG 4.15Å; I914-F929 HydrophobicContact CB-CE2 4.45Å; I914-F929 HydrophobicContact CG2-CD1 4.34Å; I914-F929 HydrophobicContact CG2-CD2 3.73Å; I914-F929 HydrophobicContact CG2-CE2 3.95Å; I914-F929 HydrophobicContact CG2-CG 3.93Å; I914-F929 HydrophobicContact CG2-CZ 4.36Å
915E94.2Very high92.7Very high131 Ų13166.5 Ų66.561%0.61232%0.324SS*.Hα-helixtrans-64.2-46170.7-175.9-178.9-160.700111.8A911 T913 F917 G918 A920A911-E915 WeakPolarHBondContact O-CB 3.42Å; A911-E915 PolarHBondContact O-N 3.45Å; A911-E915 VanDerWaalsContact O-N 3.1Å; T913-E915 VanDerWaalsContact C-N 3.3Å; T913-E915 PolarHBondContact O-N 2.7Å; E915-F917 VanDerWaalsContact C-N 3.25Å; E915-F917 PolarHBondContact O-N 3.02Å; E915-G918 PolarHBondContact O-N 3.11Å; E915-A920 HydrophobicContact CB-CB 4.25Å
916W93.7Very high92.7Very high145 Ų14564.2 Ų64.255%0.54931%0.312SS..Hα-helixtrans-58.2-33.8178.7-176.5-96.9000113.8K769 R912 T913K769-W916 HydrophobicContact CD-CD2 4.36Å; K769-W916 HydrophobicContact CD-CG 4.38Å; K769-W916 HydrophobicContact CG-CD2 4.25Å; K769-W916 HydrophobicContact CG-CG 4.27Å; R912-W916 VanDerWaalsContact O-CB 3.25Å; R912-W916 WeakPolarHBondContact O-CB 3.47Å; R912-W916 PolarHBondContact O-N 2.82Å; T913-W916 WeakPolarHBondContact O-CB 3.16Å; T913-W916 PolarHBondContact O-N 3.18Å
917F93.9Very high92.6Very high29 Ų2967.2 Ų67.213%0.12733%0.326CS..THydrogen-bonded Turntrans-94.88.9175.2-71-77000114L768 F774 L778 L801 T913 E915 E919 F929L768-F917 HydrophobicContact CB-CE2 4.48Å; L768-F917 HydrophobicContact CD1-CZ 4.49Å; L768-F917 HydrophobicContact CD2-CD2 4.13Å; L768-F917 HydrophobicContact CD2-CE2 3.6Å; L768-F917 HydrophobicContact CD2-CZ 4.12Å; L768-F917 HydrophobicContact CG-CE2 3.62Å; L768-F917 HydrophobicContact CG-CZ 3.77Å; F774-F917 HydrophobicContact CD1-CE1 4.15Å; F774-F917 HydrophobicContact CD1-CZ 4.1Å; F774-F917 AromaticContact CE1-CE1 3.71Å; F774-F917 HydrophobicContact CE1-CE1 3.71Å; F774-F917 AromaticContact CE1-CZ 3.93Å; F774-F917 HydrophobicContact CE1-CZ 3.93Å; L778-F917 HydrophobicContact CD1-CD1 4.28Å; L778-F917 HydrophobicContact CD1-CE1 3.81Å; L801-F917 HydrophobicContact CD1-CB 3.63Å; L801-F917 HydrophobicContact CD1-CD1 4.05Å; L801-F917 HydrophobicContact CD1-CG 3.84Å; L801-F917 HydrophobicContact CD2-CD1 4.01Å; L801-F917 HydrophobicContact CG-CB 4.14Å; L801-F917 HydrophobicContact CG-CD1 4.31Å; L801-F917 HydrophobicContact CG-CG 4.47Å; T913-F917 HydrophobicContact CG2-CD2 4.09Å; T913-F917 HydrophobicContact CG2-CE2 4.13Å; T913-F917 WeakPolarHBondContact O-CD2 3.32Å; T913-F917 PolarHBondContact O-N 3.32Å; E915-F917 VanDerWaalsContact C-N 3.25Å; E915-F917 PolarHBondContact O-N 3.02Å; F917-E919 VanDerWaalsContact C-N 3.32Å; F917-E919 PolarHBondContact O-N 2.98Å; F917-F929 HydrophobicContact CB-CE2 4.27Å; F917-F929 HydrophobicContact CB-CZ 4.26Å; F917-F929 AromaticContact CD2-CZ 3.84Å; F917-F929 HydrophobicContact CD2-CZ 3.84Å; F917-F929 HydrophobicContact CG-CZ 4.29Å
918G90.9Very high92.7Very high38 Ų3866.8 Ų66.839%0.39233%0.329SS..THydrogen-bonded Turntrans76.310.2175.200000115.7R800 I914 E915R800-G918 PolarHBondContact NE-O 3.5Å; R800-G918 PolarHBondContact NH1-O 3.37Å; R800-G918 VanDerWaalsContact NH1-O 3.07Å; R800-G918 PolarHBondContact NH2-O 2.97Å; I914-G918 PolarHBondContact O-N 3.18Å; E915-G918 PolarHBondContact O-N 3.11Å
919E92.6Very high92.7Very high10 Ų1064 Ų645%0.04731%0.314CS..  trans-93.4-3.3-175.1-60.4-60.217700114.9R800 L801 I914 F917 Q921 I922 P924 F929R800-E919 WeakPolarHBondContact CA-OE1 3.46Å; R800-E919 WeakPolarHBondContact CB-OE1 3.45Å; R800-E919 WeakPolarHBondContact CD-OE1 3.44Å; R800-E919 VanDerWaalsContact CD-OE2 3.26Å; R800-E919 WeakPolarHBondContact CD-OE2 3.47Å; R800-E919 IonicContact CZ-OE2 3.69Å; R800-E919 IonicContact NE-OE2 3.04Å; R800-E919 IonicContact NH1-OE2 2.64Å; R800-E919 PolarHBondContact NH1-OE2 3.31Å; L801-E919 HydrophobicContact CD1-CG 4.49Å; L801-E919 PolarHBondContact N-OE1 2.93Å; I914-E919 PolarHBondContact O-N 3.46Å; F917-E919 VanDerWaalsContact C-N 3.32Å; F917-E919 PolarHBondContact O-N 2.98Å; E919-Q921 PolarHBondContact O-N 2.86Å; E919-I922 PolarHBondContact O-N 3.33Å; E919-P924 HydrophobicContact CB-CG 4.29Å; E919-F929 HydrophobicContact CB-CE2 4.43Å; E919-F929 HydrophobicContact CG-CE2 4.25Å
920A87.2Confident92.9Very high43 Ų4362 Ų6236%0.35530%0.304SS..G310 helixtrans-51.6-32.4-177.700000114.9I914 E915 I922 K923I914-A920 PolarHBondContact O-N 2.59Å; E915-A920 HydrophobicContact CB-CB 4.25Å; A920-I922 VanDerWaalsContact C-N 3.26Å; A920-I922 PolarHBondContact O-N 3.46Å; A920-K923 WeakPolarHBondContact O-CG 3.3Å; A920-K923 PolarHBondContact O-N 2.97Å
921Q82.6Confident92.9Very high164 Ų16463.2 Ų63.277%0.76632%0.315SS*.G310 helixtrans-63.3-27.3177.7-71.3-180-19.400114.1E919E919-Q921 PolarHBondContact O-N 2.86Å
922I86Confident92.9Very high107 Ų10762.9 Ų62.955%0.54931%0.308SS..G310 helixtrans-91.5-15.9-178.2-50.9-180000110.8E919 A920E919-I922 PolarHBondContact O-N 3.33Å; A920-I922 VanDerWaalsContact C-N 3.26Å; A920-I922 PolarHBondContact O-N 3.46Å
923K89.8Confident93Very high176 Ų17655.1 Ų55.177%0.76528%0.278SS*.  trans48.949.9-176.1-54.5-176.7-174.9-179.40113.6A920A920-K923 WeakPolarHBondContact O-CG 3.3Å; A920-K923 PolarHBondContact O-N 2.97Å
924P92.3Very high93.2Very high16 Ų1657.1 Ų57.110%0.10429%0.291CS..  trans-64.5146.4-178.930-36.3000111.7F910 I914 E919 Q928 F929F910-P924 VanDerWaalsContact CE1-O 3.28Å; F910-P924 WeakPolarHBondContact CE1-O 3.48Å; F910-P924 WeakPolarHBondContact CZ-O 3.37Å; I914-P924 HydrophobicContact CG2-CG 4.15Å; E919-P924 HydrophobicContact CB-CG 4.29Å; P924-Q928 HydrophobicContact CB-CB 4.21Å; P924-F929 HydrophobicContact CB-CB 4.27Å; P924-F929 HydrophobicContact CG-CB 4.23Å; P924-F929 HydrophobicContact CG-CD2 4.2Å
925S93.7Very high93.3Very high17 Ų1761.3 Ų61.312%0.11931%0.305CS..  trans-71.7160.7169.154.10000111.4T852 E927 Q928 F929T852-S925 WeakPolarHBondContact OG1-CB 3.4Å; S925-E927 VanDerWaalsContact C-N 3.34Å; S925-E927 PolarHBondContact O-N 3.49Å; S925-E927 WeakPolarHBondContact OG-CG 3.38Å; S925-E927 PolarHBondContact OG-OE1 3.35Å; S925-Q928 PolarHBondContact O-N 3.43Å; S925-Q928 VanDerWaalsContact O-N 3.07Å; S925-Q928 VanDerWaalsContact OG-CD 3.25Å; S925-Q928 VanDerWaalsContact OG-CG 3.25Å; S925-Q928 WeakPolarHBondContact OG-CG 3.44Å; S925-F929 WeakPolarHBondContact O-CB 3.47Å; S925-F929 PolarHBondContact O-N 3.45Å
926P94.1Very high93.4Very high9 Ų955.2 Ų55.26%0.05828%0.277CS..Hα-helixtrans-55.5-45.6177.2-26.637.2000112.7V761 T852 F910 Q928 F929 F930V761-P926 HydrophobicContact CG1-CG 4.36Å; V761-P926 HydrophobicContact CG2-CB 4.17Å; V761-P926 HydrophobicContact CG2-CG 4.36Å; T852-P926 WeakPolarHBondContact OG1-CD 3.39Å; F910-P926 HydrophobicContact CD1-CG 4.01Å; F910-P926 HydrophobicContact CD2-CB 4.33Å; F910-P926 HydrophobicContact CD2-CG 4.13Å; F910-P926 HydrophobicContact CE1-CG 3.85Å; F910-P926 HydrophobicContact CE2-CB 3.99Å; F910-P926 HydrophobicContact CE2-CG 3.99Å; F910-P926 HydrophobicContact CG-CG 4.14Å; F910-P926 HydrophobicContact CZ-CB 4.16Å; F910-P926 HydrophobicContact CZ-CG 3.85Å; P926-Q928 VanDerWaalsContact C-N 3.32Å; P926-Q928 PolarHBondContact O-N 2.78Å; P926-F929 PolarHBondContact O-N 3.06Å; P926-F930 HydrophobicContact CB-CD2 3.87Å; P926-F930 HydrophobicContact CB-CE2 3.96Å; P926-F930 WeakPolarHBondContact O-CB 3.47Å; P926-F930 WeakPolarHBondContact O-CD2 3.49Å; P926-F930 PolarHBondContact O-N 3.25Å
927E95.4Very high93.6Very high67 Ų6749.5 Ų49.531%0.31326%0.257SS..Hα-helixtrans-52.1-45.4171.959.4-173.8-174.300112.6A848 P851 S925 S931A848-E927 WeakPolarHBondContact O-CA 3.46Å; A848-E927 WeakPolarHBondContact O-CB 3.47Å; P851-E927 WeakPolarHBondContact CA-OE2 3.48Å; S925-E927 VanDerWaalsContact C-N 3.34Å; S925-E927 PolarHBondContact O-N 3.49Å; S925-E927 WeakPolarHBondContact OG-CG 3.38Å; S925-E927 PolarHBondContact OG-OE1 3.35Å; E927-S931 WeakPolarHBondContact O-CB 3.41Å; E927-S931 PolarHBondContact O-N 3.29Å; E927-S931 VanDerWaalsContact O-N 3.14Å; E927-S931 PolarHBondContact O-OG 3.18Å
928Q94.9Very high93.7Very high114 Ų11454.5 Ų54.553%0.53328%0.278SS..Hα-helixtrans-70.4-47.3179.3-70.9170.17.200111.5P924 S925 P926P924-Q928 HydrophobicContact CB-CB 4.21Å; S925-Q928 PolarHBondContact O-N 3.43Å; S925-Q928 VanDerWaalsContact O-N 3.07Å; S925-Q928 VanDerWaalsContact OG-CD 3.25Å; S925-Q928 VanDerWaalsContact OG-CG 3.25Å; S925-Q928 WeakPolarHBondContact OG-CG 3.44Å; P926-Q928 VanDerWaalsContact C-N 3.32Å; P926-Q928 PolarHBondContact O-N 2.78Å
929F96.4Very high94Very high0 Ų054.4 Ų54.40%027%0.269CS..Hα-helixtrans-68.5-52.1-175.3179.2-96.7000112L768 L801 F910 T913 I914 F917 E919 P924 S925 P926 S931 L932L768-F929 HydrophobicContact CD2-CE1 3.53Å; L768-F929 HydrophobicContact CD2-CZ 3.89Å; L801-F929 HydrophobicContact CD1-CD2 4.48Å; L801-F929 HydrophobicContact CD1-CE2 3.6Å; L801-F929 HydrophobicContact CD1-CZ 3.86Å; F910-F929 HydrophobicContact CE2-CB 3.99Å; F910-F929 AromaticContact CE2-CD1 3.8Å; F910-F929 HydrophobicContact CE2-CD1 3.8Å; F910-F929 HydrophobicContact CE2-CG 4.07Å; F910-F929 HydrophobicContact CZ-CB 3.89Å; F910-F929 HydrophobicContact CZ-CD1 4.46Å; F910-F929 HydrophobicContact CZ-CG 4.28Å; T913-F929 HydrophobicContact CG2-CE1 3.87Å; T913-F929 HydrophobicContact CG2-CZ 4.07Å; I914-F929 HydrophobicContact CB-CE2 4.45Å; I914-F929 HydrophobicContact CG2-CD1 4.34Å; I914-F929 HydrophobicContact CG2-CD2 3.73Å; I914-F929 HydrophobicContact CG2-CE2 3.95Å; I914-F929 HydrophobicContact CG2-CG 3.93Å; I914-F929 HydrophobicContact CG2-CZ 4.36Å; F917-F929 HydrophobicContact CB-CE2 4.27Å; F917-F929 HydrophobicContact CB-CZ 4.26Å; F917-F929 AromaticContact CD2-CZ 3.84Å; F917-F929 HydrophobicContact CD2-CZ 3.84Å; F917-F929 HydrophobicContact CG-CZ 4.29Å; E919-F929 HydrophobicContact CB-CE2 4.43Å; E919-F929 HydrophobicContact CG-CE2 4.25Å; P924-F929 HydrophobicContact CB-CB 4.27Å; P924-F929 HydrophobicContact CG-CB 4.23Å; P924-F929 HydrophobicContact CG-CD2 4.2Å; S925-F929 WeakPolarHBondContact O-CB 3.47Å; S925-F929 PolarHBondContact O-N 3.45Å; P926-F929 PolarHBondContact O-N 3.06Å; F929-S931 VanDerWaalsContact C-N 3.34Å; F929-S931 PolarHBondContact O-N 2.96Å; F929-L932 WeakPolarHBondContact O-CB 3.47Å; F929-L932 PolarHBondContact O-N 2.96Å
930F97.2Very high94.2Very high0 Ų054 Ų540%027%0.267CS..Hα-helixtrans-70.2-29.3179.5-65.8-61.3000112A764 L768 V844 A847 A848 F910 P926 L932 I933 V934A764-F930 HydrophobicContact CB-CD1 4.12Å; A764-F930 HydrophobicContact CB-CE1 3.61Å; A764-F930 HydrophobicContact CB-CE2 4.11Å; A764-F930 HydrophobicContact CB-CZ 3.61Å; L768-F930 HydrophobicContact CD2-CE1 4.31Å; V844-F930 HydrophobicContact CG1-CB 4.19Å; V844-F930 HydrophobicContact CG1-CD1 4.12Å; V844-F930 HydrophobicContact CG2-CD1 4.33Å; A847-F930 HydrophobicContact CB-CD2 3.43Å; A847-F930 VanDerWaalsContact CB-CD2 3.43Å; A847-F930 HydrophobicContact CB-CE2 3.66Å; A847-F930 HydrophobicContact CB-CG 3.99Å; A847-F930 HydrophobicContact CB-CZ 4.37Å; A848-F930 HydrophobicContact CB-CB 3.82Å; F910-F930 AromaticContact CD2-CE2 3.76Å; F910-F930 HydrophobicContact CD2-CE2 3.76Å; F910-F930 AromaticContact CD2-CZ 3.99Å; F910-F930 HydrophobicContact CD2-CZ 3.99Å; F910-F930 HydrophobicContact CE2-CD2 4.35Å; F910-F930 AromaticContact CE2-CE2 3.76Å; F910-F930 HydrophobicContact CE2-CE2 3.76Å; F910-F930 HydrophobicContact CE2-CZ 4.16Å; P926-F930 HydrophobicContact CB-CD2 3.87Å; P926-F930 HydrophobicContact CB-CE2 3.96Å; P926-F930 WeakPolarHBondContact O-CB 3.47Å; P926-F930 WeakPolarHBondContact O-CD2 3.49Å; P926-F930 PolarHBondContact O-N 3.25Å; F930-L932 PolarHBondContact O-N 3.33Å; F930-I933 WeakPolarHBondContact O-CB 3.2Å; F930-I933 PolarHBondContact O-N 3.17Å; F930-V934 WeakPolarHBondContact O-CG2 3.22Å; F930-V934 PolarHBondContact O-N 3.12Å
931S96.6Very high94.7Very high44 Ų4456.6 Ų56.631%0.30827%0.27SS..Hα-helixtrans-60.2-29.9172.5-74.60000113.9E927 F929 R935E927-S931 WeakPolarHBondContact O-CB 3.41Å; E927-S931 PolarHBondContact O-N 3.29Å; E927-S931 VanDerWaalsContact O-N 3.14Å; E927-S931 PolarHBondContact O-OG 3.18Å; F929-S931 VanDerWaalsContact C-N 3.34Å; F929-S931 PolarHBondContact O-N 2.96Å; S931-R935 WeakPolarHBondContact O-CB 3.45Å; S931-R935 PolarHBondContact O-N 3.46Å
932L95.6Very high95.3Very high32 Ų3252.6 Ų52.617%0.16825%0.254CS..Hα-helixtrans-63.6-45.3172.3-66168000110.7F929 F930 R935 F936F929-L932 WeakPolarHBondContact O-CB 3.47Å; F929-L932 PolarHBondContact O-N 2.96Å; F930-L932 PolarHBondContact O-N 3.33Å; L932-R935 PolarHBondContact O-N 3.4Å; L932-F936 PolarHBondContact O-N 2.94Å
933I96.9Very high95.8Very high0 Ų047.6 Ų47.60%023%0.229CC..Hα-helixtrans-66.6-45.8179.2-51.3-56.8000111.1L768 F774 L801 L841 V844 F930 R935 F936 I937L768-I933 HydrophobicContact CD1-CD1 4.26Å; L768-I933 HydrophobicContact CD1-CG1 4.2Å; L768-I933 HydrophobicContact CD1-CG2 4.01Å; L768-I933 HydrophobicContact CD2-CD1 4.33Å; L768-I933 HydrophobicContact CD2-CG1 4.08Å; F774-I933 HydrophobicContact CE1-CD1 4.22Å; F774-I933 HydrophobicContact CZ-CD1 3.75Å; L801-I933 HydrophobicContact CD1-CD1 4.11Å; L801-I933 HydrophobicContact CD2-CD1 4.48Å; L841-I933 HydrophobicContact CD1-CG2 4.14Å; V844-I933 HydrophobicContact CG1-CB 4Å; V844-I933 HydrophobicContact CG1-CG2 3.93Å; F930-I933 WeakPolarHBondContact O-CB 3.2Å; F930-I933 PolarHBondContact O-N 3.17Å; I933-R935 VanDerWaalsContact C-N 3.28Å; I933-R935 PolarHBondContact O-N 2.83Å; I933-F936 PolarHBondContact O-N 3.45Å; I933-I937 HydrophobicContact CG2-CD1 3.92Å; I933-I937 HydrophobicContact CG2-CG1 4.45Å; I933-I937 WeakPolarHBondContact O-CG1 3.37Å; I933-I937 PolarHBondContact O-N 3.11Å
934V97.3Very high96.1Very high43 Ų4341 Ų4126%0.26120%0.202SC..Hα-helixtrans-57.3-42.6175.61750000111.1V844 V845 A848 F930 I937 K938V844-V934 HydrophobicContact CG1-CG2 3.89Å; V845-V934 HydrophobicContact CG2-CG2 4.12Å; A848-V934 HydrophobicContact CB-CG2 3.9Å; F930-V934 WeakPolarHBondContact O-CG2 3.22Å; F930-V934 PolarHBondContact O-N 3.12Å; V934-I937 PolarHBondContact O-N 2.85Å; V934-K938 WeakPolarHBondContact O-CB 3.36Å; V934-K938 PolarHBondContact O-N 3.02Å
935R97Very high96.3Very high102 Ų10244.6 Ų44.639%0.38522%0.223SC..Hα-helixtrans-67.8-40.6178.5-157.8-176.1-45.4116.85.4112D805 S931 L932 I933 K938 N939D805-R935 WeakPolarHBondContact OD1-CD 3.46Å; D805-R935 IonicContact OD1-CZ 2.85Å; D805-R935 IonicContact OD1-NE 3.52Å; D805-R935 IonicContact OD1-NH1 3.34Å; D805-R935 PolarHBondContact OD1-NH1 3.08Å; D805-R935 IonicContact OD2-NH1 3.51Å; D805-R935 PolarHBondContact OD2-NH1 3.42Å; S931-R935 WeakPolarHBondContact O-CB 3.45Å; S931-R935 PolarHBondContact O-N 3.46Å; L932-R935 PolarHBondContact O-N 3.4Å; I933-R935 VanDerWaalsContact C-N 3.28Å; I933-R935 PolarHBondContact O-N 2.83Å; R935-K938 PolarHBondContact O-N 3.4Å; R935-N939 WeakPolarHBondContact O-CB 3.47Å; R935-N939 PolarHBondContact O-N 3.41Å; R935-N939 PolarHBondContact O-OD1 3.44Å
936F97.6Very high96.3Very high3 Ų347.8 Ų47.81%0.01324%0.239CC..Hα-helixtrans-61.1-48.6173.9175.1-111.2000111.9F774 I777 I781 L804 L807 L820 F837 L932 I933 K938 N939 F940F774-F936 HydrophobicContact CE2-CD1 4.04Å; F774-F936 HydrophobicContact CE2-CE1 4.02Å; I777-F936 HydrophobicContact CG2-CE1 3.89Å; I777-F936 HydrophobicContact CG2-CZ 3.68Å; I781-F936 HydrophobicContact CD1-CE2 4.25Å; I781-F936 HydrophobicContact CD1-CZ 4.03Å; L804-F936 HydrophobicContact CB-CB 4.24Å; L804-F936 HydrophobicContact CB-CD2 3.87Å; L804-F936 HydrophobicContact CB-CG 4.2Å; L804-F936 HydrophobicContact CD1-CB 4.07Å; L804-F936 HydrophobicContact CD1-CD1 4.22Å; L804-F936 HydrophobicContact CD1-CD2 4.27Å; L804-F936 HydrophobicContact CD1-CG 3.91Å; L804-F936 HydrophobicContact CD2-CD2 4.01Å; L804-F936 HydrophobicContact CD2-CE2 3.99Å; L804-F936 HydrophobicContact CD2-CG 4.42Å; L804-F936 HydrophobicContact CD2-CZ 4.37Å; L804-F936 HydrophobicContact CG-CD2 4.26Å; L804-F936 HydrophobicContact CG-CG 4.4Å; L807-F936 HydrophobicContact CD1-CE2 4.08Å; L820-F936 HydrophobicContact CD1-CE2 4Å; F837-F936 HydrophobicContact CE1-CE1 4.22Å; F837-F936 HydrophobicContact CE2-CD1 4.29Å; F837-F936 AromaticContact CE2-CE1 3.98Å; F837-F936 HydrophobicContact CE2-CE1 3.98Å; F837-F936 AromaticContact CZ-CD1 3.92Å; F837-F936 HydrophobicContact CZ-CD1 3.92Å; F837-F936 AromaticContact CZ-CE1 3.48Å; F837-F936 HydrophobicContact CZ-CE1 3.48Å; F837-F936 VanDerWaalsContact CZ-CE1 3.48Å; F837-F936 HydrophobicContact CZ-CZ 4.42Å; L932-F936 PolarHBondContact O-N 2.94Å; I933-F936 PolarHBondContact O-N 3.45Å; F936-K938 VanDerWaalsContact C-N 3.32Å; F936-K938 PolarHBondContact O-N 3.1Å; F936-N939 PolarHBondContact O-N 2.77Å; F936-F940 HydrophobicContact CE2-CD2 4.44Å; F936-F940 AromaticContact CZ-CD2 3.96Å; F936-F940 HydrophobicContact CZ-CD2 3.96Å; F936-F940 WeakPolarHBondContact O-CB 3.46Å; F936-F940 PolarHBondContact O-N 3.2Å
937I97.2Very high96.3Very high25 Ų2547.3 Ų47.313%0.12824%0.236CC..Hα-helixtrans-57.8-45.1176.7-65.4163.3000110.7F837 D838 L841 I933 V934 F940 K941F837-I937 HydrophobicContact CE2-CG1 3.93Å; F837-I937 HydrophobicContact CZ-CG1 3.98Å; D838-I937 HydrophobicContact CB-CD1 4.03Å; D838-I937 HydrophobicContact CB-CG1 4.05Å; D838-I937 HydrophobicContact CB-CG2 3.79Å; L841-I937 HydrophobicContact CD1-CD1 3.99Å; I933-I937 HydrophobicContact CG2-CD1 3.92Å; I933-I937 HydrophobicContact CG2-CG1 4.45Å; I933-I937 WeakPolarHBondContact O-CG1 3.37Å; I933-I937 PolarHBondContact O-N 3.11Å; V934-I937 PolarHBondContact O-N 2.85Å; I937-F940 PolarHBondContact O-N 3.42Å; I937-K941 HydrophobicContact CG2-CD 4.38Å; I937-K941 WeakPolarHBondContact O-CG 3.35Å; I937-K941 PolarHBondContact O-N 2.95Å
938K96.8Very high96.2Very high134 Ų13448.2 Ų48.258%0.58324%0.24SC*.Hα-helixtrans-60.3-47.6176.8-178.6175.2177.3175.60112V934 R935 F936 F940 K941 N942V934-K938 WeakPolarHBondContact O-CB 3.36Å; V934-K938 PolarHBondContact O-N 3.02Å; R935-K938 PolarHBondContact O-N 3.4Å; F936-K938 VanDerWaalsContact C-N 3.32Å; F936-K938 PolarHBondContact O-N 3.1Å; K938-F940 VanDerWaalsContact C-N 3.34Å; K938-F940 PolarHBondContact O-N 2.59Å; K938-K941 PolarHBondContact O-N 2.76Å; K938-N942 VanDerWaalsContact O-CG 3.26Å; K938-N942 PolarHBondContact O-N 2.64Å; K938-N942 PolarHBondContact O-OD1 2.81Å
939N96.6Very high96Very high37 Ų3744.8 Ų44.820%0.19823%0.231CC..Hα-helixtrans-65.9-37.3179.4-67.4-8.5000111.7L820 R935 F936 N942 A943L820-N939 HydrophobicContact CD2-CB 3.65Å; R935-N939 WeakPolarHBondContact O-CB 3.47Å; R935-N939 PolarHBondContact O-N 3.41Å; R935-N939 PolarHBondContact O-OD1 3.44Å; F936-N939 PolarHBondContact O-N 2.77Å; N939-N942 PolarHBondContact O-N 3.19Å; N939-A943 WeakPolarHBondContact O-CB 3.43Å; N939-A943 PolarHBondContact O-N 3.16Å
940F97.7Very high95.7Very high2 Ų247.8 Ų47.81%0.00924%0.243CC..Hα-helixtrans-63.8-47176.1-169.6-83.8000111.3I777 L820 V824 I827 F837 F936 I937 K938 N942 A943 I944I777-F940 HydrophobicContact CD1-CE2 4.14Å; I777-F940 HydrophobicContact CD1-CZ 4.19Å; L820-F940 HydrophobicContact CD1-CD2 4.28Å; V824-F940 HydrophobicContact CG2-CD1 4.29Å; V824-F940 HydrophobicContact CG2-CD2 3.58Å; V824-F940 HydrophobicContact CG2-CE1 4.31Å; V824-F940 HydrophobicContact CG2-CE2 3.6Å; V824-F940 HydrophobicContact CG2-CG 3.95Å; V824-F940 HydrophobicContact CG2-CZ 3.98Å; I827-F940 HydrophobicContact CD1-CE2 3.75Å; I827-F940 HydrophobicContact CD1-CZ 3.97Å; I827-F940 HydrophobicContact CG2-CZ 4.42Å; F837-F940 HydrophobicContact CD1-CD1 4.46Å; F837-F940 HydrophobicContact CD1-CE1 4.11Å; F837-F940 HydrophobicContact CD1-CZ 4.16Å; F837-F940 HydrophobicContact CE1-CB 4.41Å; F837-F940 AromaticContact CE1-CD1 3.68Å; F837-F940 HydrophobicContact CE1-CD1 3.68Å; F837-F940 AromaticContact CE1-CD2 3.91Å; F837-F940 HydrophobicContact CE1-CD2 3.91Å; F837-F940 AromaticContact CE1-CE1 3.75Å; F837-F940 HydrophobicContact CE1-CE1 3.75Å; F837-F940 AromaticContact CE1-CE2 3.99Å; F837-F940 HydrophobicContact CE1-CE2 3.99Å; F837-F940 AromaticContact CE1-CG 3.75Å; F837-F940 HydrophobicContact CE1-CG 3.75Å; F837-F940 AromaticContact CE1-CZ 3.91Å; F837-F940 HydrophobicContact CE1-CZ 3.91Å; F837-F940 HydrophobicContact CZ-CG 4.38Å; F936-F940 HydrophobicContact CE2-CD2 4.44Å; F936-F940 AromaticContact CZ-CD2 3.96Å; F936-F940 HydrophobicContact CZ-CD2 3.96Å; F936-F940 WeakPolarHBondContact O-CB 3.46Å; F936-F940 PolarHBondContact O-N 3.2Å; I937-F940 PolarHBondContact O-N 3.42Å; K938-F940 VanDerWaalsContact C-N 3.34Å; K938-F940 PolarHBondContact O-N 2.59Å; F940-N942 PolarHBondContact O-N 3.29Å; F940-A943 PolarHBondContact O-N 3.25Å; F940-I944 HydrophobicContact CD1-CD1 3.91Å; F940-I944 HydrophobicContact CD1-CG1 4.34Å; F940-I944 HydrophobicContact CE1-CD1 3.86Å; F940-I944 HydrophobicContact CE1-CG1 4.33Å; F940-I944 PolarHBondContact O-N 3.1Å
941K96.7Very high95.3Very high97 Ų9751.4 Ų51.442%0.42226%0.256SS..Hα-helixtrans-63.6-39.7176.3-72.7-171.3178.2-173.50112.9D838 I937 K938 A943 I944 V945D838-K941 VanDerWaalsContact CG-CE 3.48Å; D838-K941 WeakPolarHBondContact OD1-CE 3.16Å; D838-K941 IonicContact OD1-NZ 3.88Å; D838-K941 WeakPolarHBondContact OD2-CE 3.47Å; D838-K941 IonicContact OD2-NZ 3.4Å; D838-K941 PolarHBondContact OD2-NZ 3.33Å; I937-K941 HydrophobicContact CG2-CD 4.38Å; I937-K941 WeakPolarHBondContact O-CG 3.35Å; I937-K941 PolarHBondContact O-N 2.95Å; K938-K941 PolarHBondContact O-N 2.76Å; K941-A943 VanDerWaalsContact C-N 3.34Å; K941-I944 PolarHBondContact O-N 3.01Å; K941-V945 PolarHBondContact O-N 3.27Å
942N96.3Very high94.8Very high80 Ų8055.7 Ų55.743%0.42827%0.266SS..Hα-helixtrans-59.6-46.5172.4-70.5-0.1000111K938 N939 F940 I944 V945 D946K938-N942 VanDerWaalsContact O-CG 3.26Å; K938-N942 PolarHBondContact O-N 2.64Å; K938-N942 PolarHBondContact O-OD1 2.81Å; N939-N942 PolarHBondContact O-N 3.19Å; F940-N942 PolarHBondContact O-N 3.29Å; N942-I944 VanDerWaalsContact C-N 3.29Å; N942-I944 PolarHBondContact O-N 3.17Å; N942-V945 WeakPolarHBondContact O-CB 3.48Å; N942-V945 PolarHBondContact O-N 2.89Å; N942-D946 PolarHBondContact O-N 3.49Å
943A96Very high94.2Very high2 Ų257.9 Ų57.92%0.01728%0.28CS..Hα-helixtrans-64.3-28.4179.100000113.9L820 V824 N939 F940 K941 N947L820-A943 HydrophobicContact CD2-CB 4.38Å; L820-A943 HydrophobicContact CG-CB 4.16Å; V824-A943 HydrophobicContact CB-CB 4.41Å; V824-A943 HydrophobicContact CG2-CB 3.95Å; N939-A943 WeakPolarHBondContact O-CB 3.43Å; N939-A943 PolarHBondContact O-N 3.16Å; F940-A943 PolarHBondContact O-N 3.25Å; K941-A943 VanDerWaalsContact C-N 3.34Å; A943-N947 VanDerWaalsContact O-CB 3.23Å; A943-N947 WeakPolarHBondContact O-CB 3.48Å; A943-N947 VanDerWaalsContact O-CG 3.23Å; A943-N947 PolarHBondContact O-N 3.3Å; A943-N947 PolarHBondContact O-ND2 3.1Å
944I95.9Very high93.5Very high38 Ų3862 Ų6220%0.19530%0.299CS..Hα-helixtrans-62.6-51.3168.5-65.1168.8000110.1V824 V835 F940 K941 N942 D946 N947 E948V824-I944 HydrophobicContact CG1-CB 4.33Å; V824-I944 HydrophobicContact CG1-CG1 3.51Å; V835-I944 HydrophobicContact CG1-CD1 3.94Å; F940-I944 HydrophobicContact CD1-CD1 3.91Å; F940-I944 HydrophobicContact CD1-CG1 4.34Å; F940-I944 HydrophobicContact CE1-CD1 3.86Å; F940-I944 HydrophobicContact CE1-CG1 4.33Å; F940-I944 PolarHBondContact O-N 3.1Å; K941-I944 PolarHBondContact O-N 3.01Å; N942-I944 VanDerWaalsContact C-N 3.29Å; N942-I944 PolarHBondContact O-N 3.17Å; I944-D946 VanDerWaalsContact C-N 3.35Å; I944-D946 PolarHBondContact O-N 2.88Å; I944-N947 PolarHBondContact O-N 3.27Å; I944-E948 WeakPolarHBondContact O-CB 3.35Å; I944-E948 PolarHBondContact O-N 3.02Å
945V95.9Very high92.6Very high90 Ų9062.3 Ų62.355%0.54531%0.306SS..Hα-helixtrans-61.1-44.6-179175.30000111K941 N942 E948 A949K941-V945 PolarHBondContact O-N 3.27Å; N942-V945 WeakPolarHBondContact O-CB 3.48Å; N942-V945 PolarHBondContact O-N 2.89Å; V945-E948 PolarHBondContact O-N 3.4Å; V945-A949 WeakPolarHBondContact O-CB 3.38Å; V945-A949 PolarHBondContact O-N 3.21Å
946D94.3Very high91.6Very high84 Ų8462.9 Ų62.945%0.44932%0.317SS..Hα-helixtrans-67.2-40.2179.8-68.9-21.8000111.7H821 N942 I944 A949 R950H821-D946 VanDerWaalsContact NE2-CB 3.26Å; H821-D946 WeakPolarHBondContact NE2-CB 3.21Å; H821-D946 IonicContact NE2-OD2 3.79Å; H821-D946 PolarHBondContact NE2-OD2 3.1Å; N942-D946 PolarHBondContact O-N 3.49Å; I944-D946 VanDerWaalsContact C-N 3.35Å; I944-D946 PolarHBondContact O-N 2.88Å; D946-A949 PolarHBondContact O-N 3.26Å; D946-R950 WeakPolarHBondContact O-CB 3.35Å; D946-R950 PolarHBondContact O-N 2.7Å
947N94.1Very high90.4Very high0 Ų068.5 Ų68.50%034%0.343CS..Hα-helixtrans-64.5-41.5172.3-81.4-18.8000112.2W817 H821 A943 I944 A949 R950 R951W817-N947 PolarHBondContact NE1-OD1 3.47Å; H821-N947 WeakPolarHBondContact CB-OD1 3.22Å; H821-N947 PolarHBondContact O-ND2 3.34Å; A943-N947 VanDerWaalsContact O-CB 3.23Å; A943-N947 WeakPolarHBondContact O-CB 3.48Å; A943-N947 VanDerWaalsContact O-CG 3.23Å; A943-N947 PolarHBondContact O-N 3.3Å; A943-N947 PolarHBondContact O-ND2 3.1Å; I944-N947 PolarHBondContact O-N 3.27Å; N947-A949 VanDerWaalsContact C-N 3.34Å; N947-R950 PolarHBondContact O-N 2.8Å; N947-R951 WeakPolarHBondContact O-CG 3.39Å; N947-R951 PolarHBondContact O-N 2.98Å
948E92.5Very high89.2Confident86 Ų8670.1 Ų70.140%0.40236%0.356SS..Hα-helixtrans-66-38.3177.7-155.6-159.3-167.400111.4I944 V945 R952I944-E948 WeakPolarHBondContact O-CB 3.35Å; I944-E948 PolarHBondContact O-N 3.02Å; V945-E948 PolarHBondContact O-N 3.4Å; E948-R952 WeakPolarHBondContact O-CG 3.43Å; E948-R952 PolarHBondContact O-N 2.91Å; E948-R952 VanDerWaalsContact O-N 3.1Å; E948-R952 IonicContact OE1-CZ 2.79Å; E948-R952 IonicContact OE1-NH1 2.71Å; E948-R952 IonicContact OE1-NH2 3.79Å; E948-R952 PolarHBondContact OE1-NH2 3.37Å; E948-R952 IonicContact OE2-CZ 2.68Å; E948-R952 IonicContact OE2-NH1 2.83Å; E948-R952 PolarHBondContact OE2-NH1 2.87Å; E948-R952 IonicContact OE2-NH2 3.25Å; E948-R952 PolarHBondContact OE2-NH2 2.92Å
949A91.3Very high87.6Confident42 Ų4269.3 Ų69.335%0.34736%0.358SS..Hα-helixtrans-63.5-45.1171.300000112.1V945 D946 N947 R951 R952 V953V945-A949 WeakPolarHBondContact O-CB 3.38Å; V945-A949 PolarHBondContact O-N 3.21Å; D946-A949 PolarHBondContact O-N 3.26Å; N947-A949 VanDerWaalsContact C-N 3.34Å; A949-R951 PolarHBondContact O-N 3.4Å; A949-R952 WeakPolarHBondContact O-CB 3.27Å; A949-R952 PolarHBondContact O-N 3.08Å; A949-V953 WeakPolarHBondContact O-CG2 3.3Å; A949-V953 PolarHBondContact O-N 3.45Å
950R89.4Confident85.4Confident63 Ų6372.8 Ų72.824%0.23838%0.376CS..Hα-helixtrans-57.1-49.7175-171.9-176.771.278.85.7111.5E825 D946 N947 R952 V953 E954E825-R950 IonicContact OE1-NH2 3.69Å; E825-R950 PolarHBondContact OE1-NH2 2.98Å; E825-R950 IonicContact OE2-CZ 2.74Å; E825-R950 IonicContact OE2-NH2 3.06Å; E825-R950 PolarHBondContact OE2-NH2 3.33Å; D946-R950 WeakPolarHBondContact O-CB 3.35Å; D946-R950 PolarHBondContact O-N 2.7Å; N947-R950 PolarHBondContact O-N 2.8Å; R950-R952 VanDerWaalsContact C-N 3.31Å; R950-R952 PolarHBondContact O-N 3.16Å; R950-V953 PolarHBondContact O-N 3.41Å; R950-V953 VanDerWaalsContact O-N 3.12Å; R950-E954 WeakPolarHBondContact CG-OE1 3.34Å; R950-E954 IonicContact CZ-OE1 2.85Å; R950-E954 IonicContact CZ-OE2 3.29Å; R950-E954 IonicContact NH1-OE1 2.83Å; R950-E954 PolarHBondContact NH1-OE1 2.85Å; R950-E954 IonicContact NH1-OE2 2.7Å; R950-E954 PolarHBondContact NH1-OE2 3.29Å; R950-E954 PolarHBondContact O-N 2.78Å
951R89.1Confident83.2Confident75 Ų7577.2 Ų77.228%0.28341%0.408SS..Hα-helixtrans-58.9-38.3177-72.5-173.9-66.3-117.15.4112.7E828 N947 A949 A955E828-R951 VanDerWaalsContact CD-NH2 3.29Å; E828-R951 IonicContact OE1-CZ 2.67Å; E828-R951 IonicContact OE1-NH1 3.66Å; E828-R951 IonicContact OE1-NH2 3.75Å; E828-R951 PolarHBondContact OE1-NH2 2.95Å; E828-R951 IonicContact OE2-CZ 2.72Å; E828-R951 IonicContact OE2-NH1 2.76Å; E828-R951 PolarHBondContact OE2-NH1 2.94Å; E828-R951 IonicContact OE2-NH2 3.2Å; E828-R951 PolarHBondContact OE2-NH2 3.19Å; E828-R951 VanDerWaalsContact OE2-NH2 3.12Å; N947-R951 WeakPolarHBondContact O-CG 3.39Å; N947-R951 PolarHBondContact O-N 2.98Å; A949-R951 PolarHBondContact O-N 3.4Å; R951-A955 WeakPolarHBondContact O-CB 3.24Å; R951-A955 PolarHBondContact O-N 3.06Å
952R87.2Confident81.1Confident135 Ų13578.6 Ų78.651%0.50942%0.424SS..Hα-helixtrans-64.2-43.6173.8-72.9176.8-176.5107.6-1.1112.3E948 A949 R950 L956E948-R952 WeakPolarHBondContact O-CG 3.43Å; E948-R952 PolarHBondContact O-N 2.91Å; E948-R952 VanDerWaalsContact O-N 3.1Å; E948-R952 IonicContact OE1-CZ 2.79Å; E948-R952 IonicContact OE1-NH1 2.71Å; E948-R952 IonicContact OE1-NH2 3.79Å; E948-R952 PolarHBondContact OE1-NH2 3.37Å; E948-R952 IonicContact OE2-CZ 2.68Å; E948-R952 IonicContact OE2-NH1 2.83Å; E948-R952 PolarHBondContact OE2-NH1 2.87Å; E948-R952 IonicContact OE2-NH2 3.25Å; E948-R952 PolarHBondContact OE2-NH2 2.92Å; A949-R952 WeakPolarHBondContact O-CB 3.27Å; A949-R952 PolarHBondContact O-N 3.08Å; R950-R952 VanDerWaalsContact C-N 3.31Å; R950-R952 PolarHBondContact O-N 3.16Å; R952-L956 WeakPolarHBondContact O-CG 3.41Å; R952-L956 PolarHBondContact O-N 3.35Å; R952-L956 VanDerWaalsContact O-N 3.12Å
953V82.6Confident78.9Confident78 Ų7880.1 Ų80.147%0.47344%0.436SS..Hα-helixtrans-65.1-43.6178.2173.40000111.1A949 R950 L956 Q957A949-V953 WeakPolarHBondContact O-CG2 3.3Å; A949-V953 PolarHBondContact O-N 3.45Å; R950-V953 PolarHBondContact O-N 3.41Å; R950-V953 VanDerWaalsContact O-N 3.12Å; V953-L956 PolarHBondContact O-N 3.42Å; V953-Q957 WeakPolarHBondContact O-CG 3.38Å; V953-Q957 PolarHBondContact O-N 2.82Å
954E82.3Confident76Confident86 Ų8683 Ų8340%0.40247%0.466SS..Hα-helixtrans-66.4-39.9178.2-74.5170.4-171.800112.5R950 L956 Q957 S958R950-E954 WeakPolarHBondContact CG-OE1 3.34Å; R950-E954 IonicContact CZ-OE1 2.85Å; R950-E954 IonicContact CZ-OE2 3.29Å; R950-E954 IonicContact NH1-OE1 2.83Å; R950-E954 PolarHBondContact NH1-OE1 2.85Å; R950-E954 IonicContact NH1-OE2 2.7Å; R950-E954 PolarHBondContact NH1-OE2 3.29Å; R950-E954 PolarHBondContact O-N 2.78Å; E954-L956 PolarHBondContact O-N 2.97Å; E954-Q957 PolarHBondContact O-N 3.26Å; E954-S958 WeakPolarHBondContact O-CB 3.26Å; E954-S958 PolarHBondContact O-N 2.87Å; E954-S958 PolarHBondContact O-OG 2.83Å
955A77.1Confident73.1Confident49 Ų4989.2 Ų89.241%0.40550%0.5SS..Hα-helixtrans-59.7-45172.900000111.7R951 S958 L959R951-A955 WeakPolarHBondContact O-CB 3.24Å; R951-A955 PolarHBondContact O-N 3.06Å; A955-S958 PolarHBondContact O-N 3.4Å; A955-S958 PolarHBondContact O-OG 2.99Å; A955-L959 WeakPolarHBondContact O-CD1 3.45Å; A955-L959 PolarHBondContact O-N 3.05Å
956L76.8Confident70.3Confident115 Ų11591.7 Ų91.760%0.60251%0.51SS*.Hα-helixtrans-63.3-41.6175.9-70.4168.9000112.3R952 V953 E954 L959 N960R952-L956 WeakPolarHBondContact O-CG 3.41Å; R952-L956 PolarHBondContact O-N 3.35Å; R952-L956 VanDerWaalsContact O-N 3.12Å; V953-L956 PolarHBondContact O-N 3.42Å; E954-L956 PolarHBondContact O-N 2.97Å; L956-L959 PolarHBondContact O-N 2.8Å; L956-N960 PolarHBondContact O-N 3.31Å
957Q73.3Confident67.3Low120 Ų12095.1 Ų95.156%0.56153%0.528SS*.Hα-helixtrans-64.4-41.3175.6-72.2177.99.600112V953 E954 L959 N960 S961V953-Q957 WeakPolarHBondContact O-CG 3.38Å; V953-Q957 PolarHBondContact O-N 2.82Å; E954-Q957 PolarHBondContact O-N 3.26Å; Q957-L959 PolarHBondContact O-N 2.93Å; Q957-N960 PolarHBondContact O-N 2.63Å; Q957-S961 PolarHBondContact O-N 2.91Å; Q957-S961 PolarHBondContact O-OG 3.41Å
958S71.6Confident64.4Low59 Ų5998 Ų9841%0.41356%0.558SS.*Hα-helixtrans-65.2-37.4177.7710000113.1E954 A955 N960 S961 V962E954-S958 WeakPolarHBondContact O-CB 3.26Å; E954-S958 PolarHBondContact O-N 2.87Å; E954-S958 PolarHBondContact O-OG 2.83Å; A955-S958 PolarHBondContact O-N 3.4Å; A955-S958 PolarHBondContact O-OG 2.99Å; S958-N960 VanDerWaalsContact C-N 3.34Å; S958-S961 WeakPolarHBondContact CA-OG 3.45Å; S958-S961 PolarHBondContact O-N 2.84Å; S958-S961 PolarHBondContact O-OG 3.27Å; S958-V962 WeakPolarHBondContact O-CG2 3.37Å; S958-V962 PolarHBondContact O-N 3.38Å
959L63.9Low61.6Low117 Ų117100.3 Ų100.361%0.61358%0.58SS**Hα-helixtrans-62.7-42.8173.6-104.792.8000111.2A955 L956 Q957 V962 T963A955-L959 WeakPolarHBondContact O-CD1 3.45Å; A955-L959 PolarHBondContact O-N 3.05Å; L956-L959 PolarHBondContact O-N 2.8Å; Q957-L959 PolarHBondContact O-N 2.93Å; L959-V962 PolarHBondContact O-N 2.93Å; L959-T963 PolarHBondContact O-N 3.34Å; L959-T963 PolarHBondContact O-OG1 3.48Å
960N50.5Low58.7Low111 Ų111105.9 Ų105.959%0.59460%0.604SS**Hα-helixtrans-66.2-37.6178.4-68.6-10.2000111.8L956 Q957 S958 V962 T963 G964L956-N960 PolarHBondContact O-N 3.31Å; Q957-N960 PolarHBondContact O-N 2.63Å; S958-N960 VanDerWaalsContact C-N 3.34Å; N960-V962 VanDerWaalsContact C-N 3.29Å; N960-V962 PolarHBondContact O-N 3.13Å; N960-T963 PolarHBondContact O-N 3.31Å; N960-T963 PolarHBondContact O-OG1 2.84Å; N960-G964 PolarHBondContact O-N 3.36Å; N960-G964 VanDerWaalsContact O-N 3.13Å
961S51.3Low55.9Low95 Ų95107 Ų10766%0.66462%0.62SS**Hα-helixtrans-70.7-20.8178.161.50000114.5Q957 S958Q957-S961 PolarHBondContact O-N 2.91Å; Q957-S961 PolarHBondContact O-OG 3.41Å; S958-S961 WeakPolarHBondContact CA-OG 3.45Å; S958-S961 PolarHBondContact O-N 2.84Å; S958-S961 PolarHBondContact O-OG 3.27Å
962V52.8Low53.1Low125 Ų125109.1 Ų109.176%0.75865%0.647SS**Hα-helixtrans-89.7-8.5177.2175.30000111.9S958 L959 N960S958-V962 WeakPolarHBondContact O-CG2 3.37Å; S958-V962 PolarHBondContact O-N 3.38Å; L959-V962 PolarHBondContact O-N 2.93Å; N960-V962 VanDerWaalsContact C-N 3.29Å; N960-V962 PolarHBondContact O-N 3.13Å
963T48.4Very low50.4Low112 Ų112109.9 Ų109.969%0.68766%0.66SS**Hα-helixtrans-125.2-3.9-172.952.70000115.2L959 N960L959-T963 PolarHBondContact O-N 3.34Å; L959-T963 PolarHBondContact O-OG1 3.48Å; N960-T963 PolarHBondContact O-N 3.31Å; N960-T963 PolarHBondContact O-OG1 2.84Å
964G36.6Very low48Very low62 Ų62113.5 Ų113.564%0.63968%0.676SS**  trans-107.366.4-17100000115.9N960N960-G964 PolarHBondContact O-N 3.36Å; N960-G964 VanDerWaalsContact O-N 3.13Å
965D33.5Very low45.6Very low170 Ų170118 Ų11891%0.90970%0.698SS**  trans-117.245165.1-156.825000110.5
966D37Very low43.6Very low142 Ų142123.4 Ų123.476%0.75972%0.718SS**SBendtrans-154.2156.2163.4-142.3-22.4000113.1
967N32.2Very low41.4Very low156 Ų156122.2 Ų122.283%0.83472%0.719SS**  trans-63.5142.6-163.8-65.7-90.7000117
968G33Very low39.6Very low61 Ų61124.6 Ų124.663%0.62973%0.734SS**  trans124.6142.7144.400000117.3L970G968-L970 PolarHBondContact O-N 3.07Å
969P33.4Very low37.7Very low134 Ų134128 Ų12887%0.8775%0.747SS**  trans-85.5112.3-177.232.9-33000112.9
970L31.3Very low36.1Very low159 Ų159130.9 Ų130.983%0.83276%0.758SS**  trans-109.9115.6159.5-78.590.4000108.4G968G968-L970 PolarHBondContact O-N 3.07Å
971S29.7Very low35.3Very low85 Ų85133 Ų13359%0.59477%0.767SS**  8099.357.180.30000114.5
972S30.6Very low34.4Very low121 Ų121134.1 Ų134.185%0.84677%0.772SS**  65.860.1129.2-48.90000120.2
973I31.6Very low33.4Very low150 Ų150138.1 Ų138.177%0.76978%0.779SS**  trans-132.9100.6157.2-58.2-177.5000111.3
974N31.6Very low32.7Very low154 Ų154144 Ų14482%0.82479%0.789SS**  trans156.569.8140.6-82.9-29.5000111.6
975Q30.8Very low32.8Very low182 Ų182146.9 Ų146.985%0.8580%0.796SS**  trans-93.1114.7155.7-76.4-176.5-9.300108.9
976I36Very low32.8Very low162 Ų162148.1 Ų148.183%0.83179%0.793SS**  trans-127.7105.2149-61.6-177.5000106
977S30.5Very low33.2Very low89 Ų89148.6 Ų148.662%0.62280%0.796SS**  trans-84.2138.7178.7-62.30000110.6
978I35Very low33.9Very low171 Ų171148.8 Ų148.888%0.87780%0.797SS**  trans-121.7135.2150.5-60.9-177.5000106.8
979N33.1Very low35.1Very low129 Ų129148.6 Ų148.669%0.6978%0.783SS**  trans-89.1154.2-151.6-68.1-43.2000115.5
980H29.7Very low36.9Very low179 Ų179145.5 Ų145.583%0.82976%0.764SS**  trans40.8101.7148.3-81-57.9000119.9
981I33.5Very low38.6Very low156 Ų156144 Ų14480%0.876%0.755SS**  trans-125.3136.3139-61.3179.1000107.6
982P32.9Very low40.4Very low117 Ų117143.6 Ų143.676%0.7675%0.752SS**PPolyproline II helixtrans-69.2137.8-177-17.831.9000112.7R984P982-R984 PolarHBondContact O-N 3.3Å
983K30.6Very low42.5Very low210 Ų210141.7 Ų141.791%0.91373%0.73SS**PPolyproline II helixtrans-70.6125179.1-66.4174176.9174.40111.3
984R34.8Very low44.2Very low236 Ų236138.7 Ų138.789%0.89172%0.715SS**PPolyproline II helixtrans-83.5164.7155.4-73.8-170.5-175.7-165.52.2110P982P982-R984 PolarHBondContact O-N 3.3Å
985P38.1Very low46Very low121 Ų121137.2 Ų137.279%0.78670%0.703SS**PPolyproline II helixtrans-63.3154.1-174.9-21.834.6000113.1D987P985-D987 PolarHBondContact O-N 2.88Å
986K33.5Very low48.1Very low196 Ų196134.8 Ų134.885%0.85269%0.69SS**SBendtrans-72.1118.6-178.3-59.7163.5176.91750110.1
987D44.6Very low49.9Very low152 Ų152133.5 Ų133.581%0.81367%0.674SS**  trans-174.741.2140.1-91.1-17000111.4P985 V989P985-D987 PolarHBondContact O-N 2.88Å; D987-V989 VanDerWaalsContact C-N 3.31Å; D987-V989 PolarHBondContact O-N 3.46Å
988D47.9Very low51.8Low161 Ų161134 Ų13486%0.86167%0.67SS**  trans-72.982.1176-74.2-36.7000111.1
989V57.4Low53.5Low56 Ų56128.1 Ų128.134%0.33965%0.646SS.*  trans-59.7124.6160.4177.90000107.3D987 I991 E993 L994D987-V989 VanDerWaalsContact C-N 3.31Å; D987-V989 PolarHBondContact O-N 3.46Å; V989-I991 PolarHBondContact O-N 2.9Å; V989-E993 HydrophobicContact CG1-CB 3.99Å; V989-E993 HydrophobicContact CG1-CG 4.24Å; V989-L994 HydrophobicContact CB-CD1 4.25Å; V989-L994 HydrophobicContact CG1-CB 4.28Å; V989-L994 HydrophobicContact CG1-CD1 4.13Å
990P71.4Confident55.4Low70 Ų70128 Ų12846%0.45564%0.641SS.*  trans-53.6135.6-179.9-26.634.3000110.9S992 E993 L994P990-S992 PolarHBondContact O-N 2.87Å; P990-E993 HydrophobicContact CB-CB 4.32Å; P990-E993 WeakPolarHBondContact O-CA 3.29Å; P990-E993 WeakPolarHBondContact O-CB 3.27Å; P990-E993 PolarHBondContact O-N 3.26Å; P990-L994 PolarHBondContact O-N 2.91Å
991I68Low57.3Low127 Ų127124.1 Ų124.165%0.65162%0.624SS**Hα-helixtrans-52-36.2-178.1-65.6170.6000111.3V989 L994 Q995V989-I991 PolarHBondContact O-N 2.9Å; I991-L994 PolarHBondContact O-N 3.34Å; I991-Q995 HydrophobicContact CG2-CG 4.33Å; I991-Q995 VanDerWaalsContact O-CB 3.29Å; I991-Q995 WeakPolarHBondContact O-CB 3.27Å; I991-Q995 WeakPolarHBondContact O-CG 3.46Å; I991-Q995 PolarHBondContact O-N 3.27Å
992S67.8Low58.7Low77 Ų77119.5 Ų119.554%0.53861%0.609SS.*Hα-helixtrans-65.3-34.3174.953.60000114P990 K996P990-S992 PolarHBondContact O-N 2.87Å; S992-K996 WeakPolarHBondContact O-CB 3.46Å; S992-K996 WeakPolarHBondContact O-CG 3.41Å; S992-K996 PolarHBondContact O-N 3.12Å
993E73.2Confident60.3Low80 Ų80121.8 Ų121.837%0.37460%0.603SS.*Hα-helixtrans-77.6-39.5174.6-169.3175.7159.300111.3V989 P990 Q995 K996 R997V989-E993 HydrophobicContact CG1-CB 3.99Å; V989-E993 HydrophobicContact CG1-CG 4.24Å; P990-E993 HydrophobicContact CB-CB 4.32Å; P990-E993 WeakPolarHBondContact O-CA 3.29Å; P990-E993 WeakPolarHBondContact O-CB 3.27Å; P990-E993 PolarHBondContact O-N 3.26Å; E993-Q995 VanDerWaalsContact C-N 3.34Å; E993-Q995 PolarHBondContact O-N 2.91Å; E993-K996 WeakPolarHBondContact O-CB 3.49Å; E993-K996 PolarHBondContact O-N 3.38Å; E993-R997 WeakPolarHBondContact O-CG 3.37Å; E993-R997 PolarHBondContact O-N 2.98Å; E993-R997 IonicContact OE1-CZ 3.45Å; E993-R997 IonicContact OE1-NE 3.28Å; E993-R997 PolarHBondContact OE1-NE 3.22Å; E993-R997 IonicContact OE1-NH2 3.71Å; E993-R997 PolarHBondContact OE1-NH2 3.29Å
994L68.5Low62Low87 Ų87115.2 Ų115.246%0.45558%0.577SS.*Hα-helixtrans-59.4-46.1172.4-156.887.4000110.7V989 P990 I991 R997 L998V989-L994 HydrophobicContact CB-CD1 4.25Å; V989-L994 HydrophobicContact CG1-CB 4.28Å; V989-L994 HydrophobicContact CG1-CD1 4.13Å; P990-L994 PolarHBondContact O-N 2.91Å; I991-L994 PolarHBondContact O-N 3.34Å; L994-R997 PolarHBondContact O-N 3.04Å; L994-L998 HydrophobicContact CD2-CD1 4.28Å; L994-L998 HydrophobicContact CG-CD1 4.28Å; L994-L998 WeakPolarHBondContact O-CB 3.42Å; L994-L998 WeakPolarHBondContact O-CG 3.28Å; L994-L998 PolarHBondContact O-N 3.02Å
995Q69.4Low63.2Low124 Ų124105.2 Ų105.258%0.57955%0.545SS*.Hα-helixtrans-61.4-41173.2-76172.6-9.300112.6I991 E993 A999I991-Q995 HydrophobicContact CG2-CG 4.33Å; I991-Q995 VanDerWaalsContact O-CB 3.29Å; I991-Q995 WeakPolarHBondContact O-CB 3.27Å; I991-Q995 WeakPolarHBondContact O-CG 3.46Å; I991-Q995 PolarHBondContact O-N 3.27Å; E993-Q995 VanDerWaalsContact C-N 3.34Å; E993-Q995 PolarHBondContact O-N 2.91Å; Q995-A999 WeakPolarHBondContact O-CB 3.42Å; Q995-A999 PolarHBondContact O-N 2.98Å
996K73.9Confident64.1Low130 Ų130107.4 Ų107.457%0.56554%0.542SS*.Hα-helixtrans-60.8-45.5173.5-84-174.8175.8-165.40111.4D809 S992 E993 A999 Q1000D809-K996 IonicContact OD1-NZ 3.85Å; D809-K996 PolarHBondContact OD1-NZ 3.33Å; S992-K996 WeakPolarHBondContact O-CB 3.46Å; S992-K996 WeakPolarHBondContact O-CG 3.41Å; S992-K996 PolarHBondContact O-N 3.12Å; E993-K996 WeakPolarHBondContact O-CB 3.49Å; E993-K996 PolarHBondContact O-N 3.38Å; K996-A999 PolarHBondContact O-N 2.66Å; K996-Q1000 WeakPolarHBondContact O-CB 3.27Å; K996-Q1000 PolarHBondContact O-N 3.05Å
997R73.7Confident65.4Low136 Ų136106.6 Ų106.651%0.51353%0.534SS..Hα-helixtrans-63.3-51.6178.4-70179.3-170.5-165.45.5111.1E993 L994 A999 Q1000 E1001E993-R997 WeakPolarHBondContact O-CG 3.37Å; E993-R997 PolarHBondContact O-N 2.98Å; E993-R997 IonicContact OE1-CZ 3.45Å; E993-R997 IonicContact OE1-NE 3.28Å; E993-R997 PolarHBondContact OE1-NE 3.22Å; E993-R997 IonicContact OE1-NH2 3.71Å; E993-R997 PolarHBondContact OE1-NH2 3.29Å; L994-R997 PolarHBondContact O-N 3.04Å; R997-A999 VanDerWaalsContact C-N 3.33Å; R997-A999 PolarHBondContact O-N 2.95Å; R997-Q1000 WeakPolarHBondContact O-CB 3.44Å; R997-Q1000 PolarHBondContact O-N 3.18Å; R997-Q1000 VanDerWaalsContact O-N 3.12Å; R997-E1001 WeakPolarHBondContact O-CB 3.48Å; R997-E1001 PolarHBondContact O-N 2.94Å
998L70.4Confident66.3Low99 Ų99103.6 Ų103.652%0.51851%0.511SS..Hα-helixtrans-58.7-40.5176.4-71.6167.2000112.6L994 E1001 A1002L994-L998 HydrophobicContact CD2-CD1 4.28Å; L994-L998 HydrophobicContact CG-CD1 4.28Å; L994-L998 WeakPolarHBondContact O-CB 3.42Å; L994-L998 WeakPolarHBondContact O-CG 3.28Å; L994-L998 PolarHBondContact O-N 3.02Å; L998-E1001 PolarHBondContact O-N 2.97Å; L998-A1002 VanDerWaalsContact O-CB 3.27Å; L998-A1002 WeakPolarHBondContact O-CB 3.37Å; L998-A1002 PolarHBondContact O-N 3.33Å
999A70.4Confident66.8Low47 Ų47101.4 Ų101.439%0.38849%0.494SS..Hα-helixtrans-70.5-33.1176.600000113Q995 K996 R997 R1003Q995-A999 WeakPolarHBondContact O-CB 3.42Å; Q995-A999 PolarHBondContact O-N 2.98Å; K996-A999 PolarHBondContact O-N 2.66Å; R997-A999 VanDerWaalsContact C-N 3.33Å; R997-A999 PolarHBondContact O-N 2.95Å; A999-R1003 WeakPolarHBondContact O-CB 3.44Å; A999-R1003 WeakPolarHBondContact O-CD 3.46Å; A999-R1003 WeakPolarHBondContact O-CG 3.5Å; A999-R1003 PolarHBondContact O-N 3.28Å; A999-R1003 VanDerWaalsContact O-N 3.16Å
1000Q74.7Confident66.8Low126 Ų126106.3 Ų106.359%0.58951%0.511SS*.Hα-helixtrans-69.1-44.4172.5177.7174.4-13.500110.9K996 R997 R1003 L1004K996-Q1000 WeakPolarHBondContact O-CB 3.27Å; K996-Q1000 PolarHBondContact O-N 3.05Å; R997-Q1000 WeakPolarHBondContact O-CB 3.44Å; R997-Q1000 PolarHBondContact O-N 3.18Å; R997-Q1000 VanDerWaalsContact O-N 3.12Å; Q1000-R1003 WeakPolarHBondContact O-CB 3.3Å; Q1000-R1003 PolarHBondContact O-N 2.85Å; Q1000-L1004 HydrophobicContact CG-CD1 4.18Å; Q1000-L1004 WeakPolarHBondContact O-CG 3.44Å; Q1000-L1004 PolarHBondContact O-N 2.94Å
1001E67.7Low66.2Low98 Ų98107.1 Ų107.146%0.45851%0.511SS..Hα-helixtrans-62.4-48.6177.1-171.9162.4-147.600111.3R997 L998 R1003 L1004 A1005R997-E1001 WeakPolarHBondContact O-CB 3.48Å; R997-E1001 PolarHBondContact O-N 2.94Å; L998-E1001 PolarHBondContact O-N 2.97Å; E1001-R1003 VanDerWaalsContact C-N 3.26Å; E1001-R1003 PolarHBondContact O-N 2.94Å; E1001-L1004 CarbonylContact O-C 3.59Å; E1001-L1004 PolarHBondContact O-N 2.99Å; E1001-A1005 WeakPolarHBondContact O-CB 3.32Å; E1001-A1005 PolarHBondContact O-N 2.77Å
1002A63.9Low65.9Low60 Ų60101.9 Ų101.950%0.49648%0.483SS..Hα-helixtrans-59.7-32.8173.900000113.3L998 K1006L998-A1002 VanDerWaalsContact O-CB 3.27Å; L998-A1002 WeakPolarHBondContact O-CB 3.37Å; L998-A1002 PolarHBondContact O-N 3.33Å; A1002-K1006 VanDerWaalsContact O-CB 3.31Å; A1002-K1006 WeakPolarHBondContact O-CB 3.4Å; A1002-K1006 PolarHBondContact O-N 3.09Å
1003R67.4Low65.8Low164 Ų164100.4 Ų100.462%0.61947%0.471SS*.Hα-helixtrans-71.8-38.8173.1-77.1169.6-179.3179.82.4112.4A999 Q1000 E1001 R1007A999-R1003 WeakPolarHBondContact O-CB 3.44Å; A999-R1003 WeakPolarHBondContact O-CD 3.46Å; A999-R1003 WeakPolarHBondContact O-CG 3.5Å; A999-R1003 PolarHBondContact O-N 3.28Å; A999-R1003 VanDerWaalsContact O-N 3.16Å; Q1000-R1003 WeakPolarHBondContact O-CB 3.3Å; Q1000-R1003 PolarHBondContact O-N 2.85Å; E1001-R1003 VanDerWaalsContact C-N 3.26Å; E1001-R1003 PolarHBondContact O-N 2.94Å; R1003-R1007 WeakPolarHBondContact O-CG 3.47Å; R1003-R1007 PolarHBondContact O-N 2.85Å; R1003-R1007 VanDerWaalsContact O-N 3.11Å
1004L65Low65.7Low72 Ų7299.1 Ų99.138%0.37746%0.463SS..Hα-helixtrans-67.5-43.4175-71170.1000110.5Q1000 E1001 K1006 R1007 R1008Q1000-L1004 HydrophobicContact CG-CD1 4.18Å; Q1000-L1004 WeakPolarHBondContact O-CG 3.44Å; Q1000-L1004 PolarHBondContact O-N 2.94Å; E1001-L1004 CarbonylContact O-C 3.59Å; E1001-L1004 PolarHBondContact O-N 2.99Å; L1004-K1006 PolarHBondContact O-N 3.31Å; L1004-R1007 WeakPolarHBondContact O-CB 3.49Å; L1004-R1007 PolarHBondContact O-N 2.96Å; L1004-R1007 VanDerWaalsContact O-N 3.1Å; L1004-R1008 WeakPolarHBondContact O-CG 3.49Å; L1004-R1008 PolarHBondContact O-N 3.13Å
1005A59.4Low65.9Low26 Ų26101.8 Ų101.822%0.21547%0.473CS..Hα-helixtrans-58.3-48.817400000112E1001 R1007 R1008 F1009 E1037E1001-A1005 WeakPolarHBondContact O-CB 3.32Å; E1001-A1005 PolarHBondContact O-N 2.77Å; A1005-R1007 PolarHBondContact O-N 3.27Å; A1005-R1008 PolarHBondContact O-N 2.78Å; A1005-R1008 VanDerWaalsContact O-N 3.13Å; A1005-F1009 WeakPolarHBondContact O-CB 3.37Å; A1005-F1009 PolarHBondContact O-N 2.97Å; A1005-E1037 WeakPolarHBondContact CA-OE1 3.35Å; A1005-E1037 WeakPolarHBondContact CB-OE1 3.49Å
1006K58.5Low66.1Low168 Ų16897.8 Ų97.873%0.7346%0.455SS*.Hα-helixtrans-62.1-28.3175.7-167166.8-173.6169.60113.5A1002 L1004 K1010A1002-K1006 VanDerWaalsContact O-CB 3.31Å; A1002-K1006 WeakPolarHBondContact O-CB 3.4Å; A1002-K1006 PolarHBondContact O-N 3.09Å; L1004-K1006 PolarHBondContact O-N 3.31Å; K1006-K1010 PolarHBondContact O-N 3.39Å
1007R60.1Low65.8Low179 Ų17996.4 Ų96.468%0.67546%0.458SS*.Hα-helixtrans-74-46.1171.4-76177.5176.2-170.9-1.5111.9R1003 L1004 A1005 F1009 K1010 N1011R1003-R1007 WeakPolarHBondContact O-CG 3.47Å; R1003-R1007 PolarHBondContact O-N 2.85Å; R1003-R1007 VanDerWaalsContact O-N 3.11Å; L1004-R1007 WeakPolarHBondContact O-CB 3.49Å; L1004-R1007 PolarHBondContact O-N 2.96Å; L1004-R1007 VanDerWaalsContact O-N 3.1Å; A1005-R1007 PolarHBondContact O-N 3.27Å; R1007-F1009 PolarHBondContact O-N 3.45Å; R1007-K1010 PolarHBondContact O-N 3.38Å; R1007-N1011 PolarHBondContact O-N 3.29Å; R1007-N1011 VanDerWaalsContact O-N 3.14Å; R1007-N1011 PolarHBondContact O-OD1 3.44Å
1008R63.4Low65.9Low89 Ų8990.9 Ų90.934%0.33644%0.443SS..Hα-helixtrans-58.5-45.8175.6-70.1171.2178.5162.6-7.9111.4L1004 A1005 K1010 N1011 R1012 E1037L1004-R1008 WeakPolarHBondContact O-CG 3.49Å; L1004-R1008 PolarHBondContact O-N 3.13Å; A1005-R1008 PolarHBondContact O-N 2.78Å; A1005-R1008 VanDerWaalsContact O-N 3.13Å; R1008-K1010 PolarHBondContact O-N 2.96Å; R1008-N1011 WeakPolarHBondContact O-CA 3.34Å; R1008-N1011 WeakPolarHBondContact O-CB 3.5Å; R1008-N1011 PolarHBondContact O-N 2.8Å; R1008-R1012 PolarHBondContact O-N 2.93Å; R1008-R1012 VanDerWaalsContact O-N 3.09Å; R1008-E1037 HydrophobicContact CB-CG 4.36Å; R1008-E1037 IonicContact NH1-OE1 2.79Å
1009F58.4Low66.3Low114 Ų11489.8 Ų89.850%0.544%0.438SS..Hα-helixtrans-57.9-45.8175-171.2-94.1000112.5D331 A1005 R1007 N1011 R1012 T1013D331-F1009 VanDerWaalsContact OD2-CE2 3.29Å; D331-F1009 WeakPolarHBondContact OD2-CE2 3.25Å; A1005-F1009 WeakPolarHBondContact O-CB 3.37Å; A1005-F1009 PolarHBondContact O-N 2.97Å; R1007-F1009 PolarHBondContact O-N 3.45Å; F1009-N1011 PolarHBondContact O-N 3Å; F1009-R1012 PolarHBondContact O-N 3.39Å; F1009-R1012 VanDerWaalsContact O-N 3.11Å; F1009-T1013 PolarHBondContact O-N 3.16Å
1010K58.7Low66.9Low159 Ų15989.1 Ų89.169%0.69144%0.435SS*.Hα-helixtrans-64.2-22.2176.2-165.2178.8179.4-171.50113.2K1006 R1007 R1008K1006-K1010 PolarHBondContact O-N 3.39Å; R1007-K1010 PolarHBondContact O-N 3.38Å; R1008-K1010 PolarHBondContact O-N 2.96Å
1011N57.9Low67.3Low88 Ų8883.6 Ų83.647%0.47141%0.41SS..Hα-helixtrans-85.8-22.9175.2-68.9-1.3000113.2R1007 R1008 F1009R1007-N1011 PolarHBondContact O-N 3.29Å; R1007-N1011 VanDerWaalsContact O-N 3.14Å; R1007-N1011 PolarHBondContact O-OD1 3.44Å; R1008-N1011 WeakPolarHBondContact O-CA 3.34Å; R1008-N1011 WeakPolarHBondContact O-CB 3.5Å; R1008-N1011 PolarHBondContact O-N 2.8Å; F1009-N1011 PolarHBondContact O-N 3Å
1012R62.5Low68.2Low16 Ų1679 Ų796%0.0639%0.388CS..Hα-helixtrans-78-43.2175.8-77.3-176.5174.5159.10.9113.8L269 D331 R1008 F1009 L1034L269-R1012 WeakPolarHBondContact CD2-O 3.24Å; D331-R1012 WeakPolarHBondContact OD1-CD 3.29Å; D331-R1012 IonicContact OD1-CZ 3.58Å; D331-R1012 IonicContact OD1-NH1 3.89Å; D331-R1012 PolarHBondContact OD1-NH1 3.09Å; R1008-R1012 PolarHBondContact O-N 2.93Å; R1008-R1012 VanDerWaalsContact O-N 3.09Å; F1009-R1012 PolarHBondContact O-N 3.39Å; F1009-R1012 VanDerWaalsContact O-N 3.11Å; R1012-L1034 HydrophobicContact CG-CD1 4.12Å
1013T65.2Low69.3Low46 Ų4679.2 Ų79.228%0.28238%0.381SS..  trans-126.7118.1-171.1-59.40000110.5T271 F1009T271-T1013 HydrophobicContact CG2-CG2 4.45Å; T271-T1013 WeakPolarHBondContact OG1-CG2 3.44Å; F1009-T1013 PolarHBondContact O-N 3.16Å
1014R70.4Confident70.1Confident53 Ų5376.6 Ų76.620%0.238%0.376CS..BIsolated β-bridgetrans-112.3138.9179.9-69.3177.8172.4-124.59.4111.3L269 I270 T271 E1024 I1025L269-R1014 PolarHBondContact O-N 3.04Å; I270-R1014 CarbonylContact C-O 3.48Å; I270-R1014 VanDerWaalsContact CA-O 3.29Å; I270-R1014 WeakPolarHBondContact CA-O 3.48Å; T271-R1014 PolarHBondContact N-O 3.42Å; T271-R1014 PolarHBondContact OG1-O 3.36Å; R1014-E1024 IonicContact CZ-OE1 2.91Å; R1014-E1024 IonicContact NH1-OE1 2.75Å; R1014-E1024 PolarHBondContact NH1-OE1 2.96Å; R1014-E1024 IonicContact NH2-OE1 3.52Å; R1014-I1025 VanDerWaalsContact CD-CG1 3.41Å
1015Q72.2Confident71.1Confident143 Ų14373.2 Ų73.267%0.66836%0.358SS*.  trans-84.7163.5168.4-66.6179-12.400109.8T1017 M1021Q1015-T1017 HydrophobicContact CB-CG2 4.13Å; Q1015-T1017 PolarHBondContact O-N 2.83Å; Q1015-T1017 VanDerWaalsContact O-N 3.12Å; Q1015-M1021 WeakPolarHBondContact O-CE 3.46Å
1016I74.6Confident72.3Confident41 Ų4172.3 Ų72.321%0.2135%0.35CS..  trans-79.890.6176.4-60.5174.4000109.3Q229 C232 I270Q229-I1016 HydrophobicContact CB-CG2 4.5Å; Q229-I1016 HydrophobicContact CG-CG2 3.56Å; Q229-I1016 PolarHBondContact NE2-O 2.96Å; C232-I1016 HydrophobicContact CB-CD1 4.49Å; C232-I1016 HydrophobicContact CB-CG2 4.5Å; I270-I1016 HydrophobicContact CG2-CD1 4.13Å; I270-I1016 HydrophobicContact CG2-CG1 3.76Å
1017T68Low73.6Confident100 Ų10067.1 Ų67.161%0.61334%0.338SS*.  trans-100.52.3-169.2680000116.6Q1015 M1021Q1015-T1017 HydrophobicContact CB-CG2 4.13Å; Q1015-T1017 PolarHBondContact O-N 2.83Å; Q1015-T1017 VanDerWaalsContact O-N 3.12Å; T1017-M1021 HydrophobicContact CG2-CE 4.27Å; T1017-M1021 VanDerWaalsContact N-CE 3.3Å; T1017-M1021 WeakPolarHBondContact OG1-CE 3.47Å
1018G74.6Confident74.7Confident20 Ų2060 Ų6021%0.20632%0.32CS..SBendtrans153.6179175.900000114.1M1021G1018-M1021 WeakPolarHBondContact O-CB 3.42Å
1019D79.7Confident75.6Confident77 Ų7756.5 Ų56.541%0.41231%0.308SS..THydrogen-bonded Turntrans-68.5151.8172.6-78.726.6000111.4N227 N228 Q229 M1021N227-D1019 CarbonylContact O-C 3.5Å; N227-D1019 WeakPolarHBondContact O-CA 3.37Å; N228-D1019 WeakPolarHBondContact CA-OD1 3.47Å; N228-D1019 VanDerWaalsContact ND2-CG 3.29Å; N228-D1019 PolarHBondContact ND2-OD1 2.89Å; N228-D1019 PolarHBondContact ND2-OD2 3.19Å; Q229-D1019 WeakPolarHBondContact CB-OD1 3.43Å; Q229-D1019 PolarHBondContact N-OD1 3.29Å; D1019-M1021 PolarHBondContact O-N 2.91Å
1020G82.2Confident76.6Confident32 Ų3255.5 Ų55.533%0.3331%0.307SS..THydrogen-bonded Turntrans80.5-4-175.700000114.9N227 M1022 D1023 E1024N227-G1020 PolarHBondContact O-N 3.41Å; N227-G1020 VanDerWaalsContact OD1-CA 3.24Å; N227-G1020 WeakPolarHBondContact OD1-CA 3.3Å; N227-G1020 PolarHBondContact OD1-O 3.33Å; G1020-M1022 VanDerWaalsContact C-N 3.33Å; G1020-M1022 PolarHBondContact O-N 2.69Å; G1020-D1023 PolarHBondContact O-N 3.31Å; G1020-E1024 PolarHBondContact O-N 2.71Å; G1020-E1024 VanDerWaalsContact O-N 3.09Å
1021M83.8Confident77.4Confident11 Ų1151.7 Ų51.75%0.05430%0.3CS..Hα-helixtrans-52.8-43.9-177.6167.3152.6-70.200114.2Q1015 T1017 G1018 D1019 D1023 E1024 I1025Q1015-M1021 WeakPolarHBondContact O-CE 3.46Å; T1017-M1021 HydrophobicContact CG2-CE 4.27Å; T1017-M1021 VanDerWaalsContact N-CE 3.3Å; T1017-M1021 WeakPolarHBondContact OG1-CE 3.47Å; G1018-M1021 WeakPolarHBondContact O-CB 3.42Å; D1019-M1021 PolarHBondContact O-N 2.91Å; M1021-D1023 PolarHBondContact O-N 3.29Å; M1021-E1024 PolarHBondContact O-N 3.25Å; M1021-I1025 HydrophobicContact CG-CD1 3.55Å; M1021-I1025 HydrophobicContact CG-CG1 4.26Å; M1021-I1025 VanDerWaalsContact O-CG1 3.24Å; M1021-I1025 WeakPolarHBondContact O-CG1 3.43Å; M1021-I1025 PolarHBondContact O-N 2.9Å; M1021-I1025 HydrophobicContact SD-CD1 4.18Å
1022M86Confident78.4Confident0 Ų054.1 Ų54.10%031%0.309CS..Hα-helixtrans-64.8-43.5-175.2153.1164.5-80.700111.2R223 L226 N227 L263 V266 G1020 I1025 L1026R223-M1022 HydrophobicContact CG-SD 3.77Å; L226-M1022 HydrophobicContact CB-CE 3.72Å; L226-M1022 HydrophobicContact CB-SD 3.81Å; L226-M1022 HydrophobicContact CD1-CE 3.89Å; L226-M1022 HydrophobicContact CG-CE 4.39Å; N227-M1022 HydrophobicContact CB-CB 4.22Å; N227-M1022 WeakPolarHBondContact OD1-CB 3.39Å; N227-M1022 PolarHBondContact OD1-N 3.37Å; L263-M1022 HydrophobicContact CB-CE 4.32Å; L263-M1022 HydrophobicContact CD2-CE 3.5Å; L263-M1022 HydrophobicContact CD2-SD 3.49Å; L263-M1022 WeakPolarHBondContact CD2-SD 3.27Å; L263-M1022 HydrophobicContact CG-CE 4.5Å; V266-M1022 HydrophobicContact CB-CE 3.62Å; V266-M1022 HydrophobicContact CG1-CB 4.08Å; V266-M1022 HydrophobicContact CG1-CE 3.74Å; V266-M1022 HydrophobicContact CG1-CG 4.39Å; V266-M1022 HydrophobicContact CG2-CE 3.95Å; V266-M1022 HydrophobicContact CG2-CG 4.26Å; G1020-M1022 VanDerWaalsContact C-N 3.33Å; G1020-M1022 PolarHBondContact O-N 2.69Å; M1022-I1025 PolarHBondContact O-N 3.07Å; M1022-L1026 HydrophobicContact CG-CD1 4.1Å; M1022-L1026 WeakPolarHBondContact O-CG 3.24Å; M1022-L1026 PolarHBondContact O-N 3.33Å
1023D87.4Confident79.4Confident66 Ų6654.7 Ų54.735%0.35332%0.315SS..Hα-helixtrans-70.5-32.1177.3-66.4-44000111.7R223 N227 G1020 M1021 A1027R223-D1023 IonicContact CZ-OD1 3.7Å; R223-D1023 IonicContact NE-OD1 3.66Å; R223-D1023 PolarHBondContact NE-OD1 3Å; R223-D1023 IonicContact NH2-OD1 3.92Å; R223-D1023 PolarHBondContact NH2-OD1 2.93Å; N227-D1023 PolarHBondContact ND2-OD2 2.74Å; N227-D1023 PolarHBondContact OD1-N 3.42Å; G1020-D1023 PolarHBondContact O-N 3.31Å; M1021-D1023 PolarHBondContact O-N 3.29Å; D1023-A1027 VanDerWaalsContact O-CB 3.27Å; D1023-A1027 WeakPolarHBondContact O-CB 3.4Å; D1023-A1027 PolarHBondContact O-N 2.67Å
1024E85.3Confident80.1Confident108 Ų10853 Ų5351%0.50530%0.304SS..Hα-helixtrans-63.8-43.6172.7-164.1-145.2114.500112.1R1014 G1020 M1021 A1027 G1028R1014-E1024 IonicContact CZ-OE1 2.91Å; R1014-E1024 IonicContact NH1-OE1 2.75Å; R1014-E1024 PolarHBondContact NH1-OE1 2.96Å; R1014-E1024 IonicContact NH2-OE1 3.52Å; G1020-E1024 PolarHBondContact O-N 2.71Å; G1020-E1024 VanDerWaalsContact O-N 3.09Å; M1021-E1024 PolarHBondContact O-N 3.25Å; E1024-A1027 PolarHBondContact O-N 2.75Å; E1024-G1028 PolarHBondContact O-N 2.86Å
1025I84.7Confident80.4Confident1 Ų156.4 Ų56.41%0.00532%0.322CS..Hα-helixtrans-63.2-49.3177.5-67.7170.4000110.2V266 L269 R1014 M1021 M1022 A1027 G1028 L1029V266-I1025 HydrophobicContact CB-CG2 4.46Å; V266-I1025 HydrophobicContact CG1-CB 4.37Å; V266-I1025 HydrophobicContact CG1-CD1 3.85Å; V266-I1025 HydrophobicContact CG1-CG2 4.36Å; V266-I1025 HydrophobicContact CG2-CB 4.21Å; V266-I1025 HydrophobicContact CG2-CG2 3.93Å; L269-I1025 HydrophobicContact CD1-CG2 3.79Å; R1014-I1025 VanDerWaalsContact CD-CG1 3.41Å; M1021-I1025 HydrophobicContact CG-CD1 3.55Å; M1021-I1025 HydrophobicContact CG-CG1 4.26Å; M1021-I1025 VanDerWaalsContact O-CG1 3.24Å; M1021-I1025 WeakPolarHBondContact O-CG1 3.43Å; M1021-I1025 PolarHBondContact O-N 2.9Å; M1021-I1025 HydrophobicContact SD-CD1 4.18Å; M1022-I1025 PolarHBondContact O-N 3.07Å; I1025-A1027 PolarHBondContact O-N 2.9Å; I1025-G1028 PolarHBondContact O-N 2.98Å; I1025-L1029 HydrophobicContact CG2-CD1 4.18Å; I1025-L1029 HydrophobicContact CG2-CG 4.47Å; I1025-L1029 WeakPolarHBondContact O-CG 3.44Å; I1025-L1029 PolarHBondContact O-N 3.23Å
1026L85.7Confident80.2Confident7 Ų750 Ų504%0.03729%0.293CS..Hα-helixtrans-61-43.1178.3-70.8169.9000111.7E262 V266 M1022 G1028 L1029 I1030E262-L1026 HydrophobicContact CB-CD1 4.09Å; E262-L1026 HydrophobicContact CB-CD2 3.93Å; E262-L1026 HydrophobicContact CG-CD1 4.49Å; E262-L1026 HydrophobicContact CG-CD2 4.1Å; V266-L1026 HydrophobicContact CG2-CD1 4.15Å; V266-L1026 HydrophobicContact CG2-CD2 3.68Å; V266-L1026 HydrophobicContact CG2-CG 3.55Å; M1022-L1026 HydrophobicContact CG-CD1 4.1Å; M1022-L1026 WeakPolarHBondContact O-CG 3.24Å; M1022-L1026 PolarHBondContact O-N 3.33Å; L1026-G1028 VanDerWaalsContact C-N 3.34Å; L1026-G1028 PolarHBondContact O-N 2.87Å; L1026-L1029 PolarHBondContact O-N 2.98Å; L1026-I1030 WeakPolarHBondContact O-CB 3.39Å; L1026-I1030 WeakPolarHBondContact O-CD1 3.44Å; L1026-I1030 WeakPolarHBondContact O-CG1 3.38Å; L1026-I1030 PolarHBondContact O-N 3.21Å
1027A85.3Confident79.6Confident60 Ų6051.3 Ų51.350%0.49630%0.299SS..Hα-helixtrans-59-44.817600000112D1023 E1024 I1025 I1030 S1031D1023-A1027 VanDerWaalsContact O-CB 3.27Å; D1023-A1027 WeakPolarHBondContact O-CB 3.4Å; D1023-A1027 PolarHBondContact O-N 2.67Å; E1024-A1027 PolarHBondContact O-N 2.75Å; I1025-A1027 PolarHBondContact O-N 2.9Å; A1027-I1030 PolarHBondContact O-N 2.86Å; A1027-S1031 PolarHBondContact O-N 3.06Å; A1027-S1031 VanDerWaalsContact O-N 3.1Å; A1027-S1031 PolarHBondContact O-OG 3.26Å
1028G82.5Confident79Confident28 Ų2848 Ų4829%0.28928%0.278SS..Hα-helixtrans-59.2-49.3175.900000113E1024 I1025 L1026 I1030 S1031 E1032E1024-G1028 PolarHBondContact O-N 2.86Å; I1025-G1028 PolarHBondContact O-N 2.98Å; L1026-G1028 VanDerWaalsContact C-N 3.34Å; L1026-G1028 PolarHBondContact O-N 2.87Å; G1028-I1030 PolarHBondContact O-N 3.3Å; G1028-S1031 PolarHBondContact O-N 3.02Å; G1028-S1031 VanDerWaalsContact O-N 3.15Å; G1028-S1031 PolarHBondContact O-OG 3.09Å; G1028-E1032 PolarHBondContact O-N 3.5Å
1029L82.6Confident78Confident16 Ų1650.6 Ų50.68%0.08429%0.285CS..Hα-helixtrans-68.7-17.8179.3-64.6-179.6000114.5T265 L269 Q321 I325 Q366 I1025 L1026T265-L1029 HydrophobicContact CG2-CD1 3.64Å; L269-L1029 HydrophobicContact CD1-CD1 3.7Å; L269-L1029 HydrophobicContact CD1-CD2 4.08Å; L269-L1029 HydrophobicContact CD1-CG 4.22Å; Q321-L1029 HydrophobicContact CG-CB 4.44Å; Q321-L1029 HydrophobicContact CG-CD1 4.45Å; Q321-L1029 VanDerWaalsContact NE2-CB 3.32Å; Q321-L1029 PolarHBondContact NE2-O 2.8Å; Q321-L1029 VanDerWaalsContact NE2-O 3.09Å; I325-L1029 HydrophobicContact CD1-CD1 4.34Å; I325-L1029 HydrophobicContact CD1-CD2 3.88Å; I325-L1029 HydrophobicContact CG1-CD1 4.16Å; Q366-L1029 PolarHBondContact NE2-O 3.45Å; I1025-L1029 HydrophobicContact CG2-CD1 4.18Å; I1025-L1029 HydrophobicContact CG2-CG 4.47Å; I1025-L1029 WeakPolarHBondContact O-CG 3.44Å; I1025-L1029 PolarHBondContact O-N 3.23Å; L1026-L1029 PolarHBondContact O-N 2.98Å
1030I78.9Confident76.3Confident94 Ų9451.4 Ų51.448%0.48229%0.294SS..Hα-helixtrans-82.3-35.8172.3-71.1164.3000110.6L1026 A1027 G1028L1026-I1030 WeakPolarHBondContact O-CB 3.39Å; L1026-I1030 WeakPolarHBondContact O-CD1 3.44Å; L1026-I1030 WeakPolarHBondContact O-CG1 3.38Å; L1026-I1030 PolarHBondContact O-N 3.21Å; A1027-I1030 PolarHBondContact O-N 2.86Å; G1028-I1030 PolarHBondContact O-N 3.3Å
1031S76.2Confident74.4Confident78 Ų7855.3 Ų55.355%0.54530%0.303SS..Hα-helixtrans-73.1-48.5175.547.90000113.1A1027 G1028A1027-S1031 PolarHBondContact O-N 3.06Å; A1027-S1031 VanDerWaalsContact O-N 3.1Å; A1027-S1031 PolarHBondContact O-OG 3.26Å; G1028-S1031 PolarHBondContact O-N 3.02Å; G1028-S1031 VanDerWaalsContact O-N 3.15Å; G1028-S1031 PolarHBondContact O-OG 3.09Å
1032E79.9Confident72.2Confident140 Ų14062.9 Ų62.965%0.65433%0.332SS*.SBendtrans-132.4114.3-177.1-68.2-175.8170.800108.7G1028G1028-E1032 PolarHBondContact O-N 3.5Å
1033P82.1Confident69.6Low28 Ų2869 Ų6918%0.18236%0.364CS..  trans-55.9153.8168.6-23.433.7000111.4R365 A369 Q1035R365-P1033 HydrophobicContact CB-CG 4.29Å; A369-P1033 HydrophobicContact CB-CB 3.49Å; A369-P1033 VanDerWaalsContact CB-CB 3.49Å; A369-P1033 HydrophobicContact CB-CG 4.29Å; P1033-Q1035 PolarHBondContact O-N 3.15Å; P1033-Q1035 VanDerWaalsContact O-N 3.08Å
1034L80.4Confident67Low10 Ų1074.8 Ų74.85%0.05238%0.381CS..  trans-61.9115.9177.9178.466.8000110.3I325 H328 N373 R1012I325-L1034 HydrophobicContact CD1-CB 3.59Å; I325-L1034 HydrophobicContact CD1-CD2 3.69Å; I325-L1034 HydrophobicContact CD1-CG 4.19Å; H328-L1034 HydrophobicContact CB-CD2 4.13Å; N373-L1034 PolarHBondContact ND2-O 2.96Å; R1012-L1034 HydrophobicContact CG-CD1 4.12Å
1035Q75.8Confident64.4Low125 Ų12576.8 Ų76.858%0.58439%0.394SS*.  trans-94.3104.6162.4-70.3-168.6-21.500108.8P1033P1033-Q1035 PolarHBondContact O-N 3.15Å; P1033-Q1035 VanDerWaalsContact O-N 3.08Å
1036A68.9Low62Low8 Ų881.6 Ų81.67%0.06643%0.428CS..  trans-77.2154.1170.400000109.9H328 N373 V1038H328-A1036 HydrophobicContact CB-CB 3.83Å; N373-A1036 WeakPolarHBondContact OD1-CB 3.5Å; N373-A1036 PolarHBondContact OD1-N 3.42Å; A1036-V1038 PolarHBondContact O-N 3.37Å
1037E61Low59.5Low69 Ų6987.5 Ų87.532%0.32246%0.456SS..  trans-64.5107.8166.4-63.5-173.4148.300108.8R336 A1005 R1008R336-E1037 PolarHBondContact NH1-O 3.45Å; A1005-E1037 WeakPolarHBondContact CA-OE1 3.35Å; A1005-E1037 WeakPolarHBondContact CB-OE1 3.49Å; R1008-E1037 HydrophobicContact CB-CG 4.36Å; R1008-E1037 IonicContact NH1-OE1 2.79Å
1038V56.8Low57.2Low30 Ų3092 Ų9218%0.18247%0.471CS..  trans-90.9148.6152.2-1760000106.2R336 D372 E374 A1036R336-V1038 VanDerWaalsContact NH2-CG2 3.34Å; D372-V1038 VanDerWaalsContact O-CG2 3.26Å; D372-V1038 WeakPolarHBondContact O-CG2 3.24Å; E374-V1038 WeakPolarHBondContact O-CG1 3.39Å; E374-V1038 WeakPolarHBondContact O-CG2 3.37Å; A1036-V1038 PolarHBondContact O-N 3.37Å
1039H52.7Low54.9Low75 Ų7597.6 Ų97.635%0.34750%0.495SS..  trans-48.8133.9168.4-80.4-116000108.4L380 D383 H1041L380-H1039 VanDerWaalsContact CD1-NE2 3.29Å; L380-H1039 WeakPolarHBondContact CD1-NE2 3.34Å; D383-H1039 IonicContact OD2-CE1 3.22Å; D383-H1039 IonicContact OD2-CG 3.79Å; D383-H1039 IonicContact OD2-ND1 3.56Å; D383-H1039 PolarHBondContact OD2-ND1 3.17Å; H1039-H1041 PolarHBondContact O-N 3.28Å
1040P44.1Very low52.5Low94 Ų94108.5 Ų108.561%0.6155%0.553SS**  trans-56.5109.1-173.522.9-32.7000107.9R1042P1040-R1042 PolarHBondContact O-N 3.4Å
1041H42.7Very low51.2Low113 Ų113109.2 Ų109.252%0.52356%0.556SS.*  trans-48.7118.8-177.7-81.8-59.9000107.1H1039 N1043H1039-H1041 PolarHBondContact O-N 3.28Å; H1041-N1043 PolarHBondContact O-N 2.72Å
1042R37.2Very low49.9Very low171 Ų171110.8 Ų110.865%0.64556%0.557SS**  trans-65.286.8174.8-137.2179.3-174.9161.65.1105.2P1040 R1044P1040-R1042 PolarHBondContact O-N 3.4Å; R1042-R1044 PolarHBondContact O-N 3.37Å
1043N32.4Very low48.2Very low128 Ų128109.2 Ų109.268%0.68455%0.552SS**  trans-50.9128.4-172.8-104.4-23.6000107.2H1041 L1045H1041-N1043 PolarHBondContact O-N 2.72Å; N1043-L1045 HydrophobicContact CB-CD1 4.35Å; N1043-L1045 HydrophobicContact CB-CG 4.26Å; N1043-L1045 PolarHBondContact O-N 3.4Å
1044R31.3Very low46.3Very low188 Ų188114 Ų11471%0.70957%0.573SS**  trans-68.966.7-178.2-61.8-170.3-171.7179.31.1111.1R1042 S1046 E1047R1042-R1044 PolarHBondContact O-N 3.37Å; R1044-S1046 PolarHBondContact O-N 3.4Å; R1044-E1047 WeakPolarHBondContact CD-OE2 3.33Å; R1044-E1047 IonicContact NH1-OE1 2.64Å; R1044-E1047 IonicContact NH1-OE2 2.7Å; R1044-E1047 PolarHBondContact NH1-OE2 2.92Å
1045L31.8Very low44.1Very low149 Ų149120.5 Ų120.578%0.7861%0.606SS**THydrogen-bonded Turntrans-81.23.1174.1-70.9168.1000111.7N1043N1043-L1045 HydrophobicContact CB-CD1 4.35Å; N1043-L1045 HydrophobicContact CB-CG 4.26Å; N1043-L1045 PolarHBondContact O-N 3.4Å
1046S33.1Very low42Very low103 Ų103120.2 Ų120.272%0.7261%0.607SS**THydrogen-bonded Turntrans-92.9-9174.945.10000114.6R1044R1044-S1046 PolarHBondContact O-N 3.4Å
1047E34.6Very low40.1Very low131 Ų131128.2 Ų128.261%0.61265%0.646SS**THydrogen-bonded Turntrans-93.64.7-176.8-68.8-171.8134.700114.7R1044R1044-E1047 WeakPolarHBondContact CD-OE2 3.33Å; R1044-E1047 IonicContact NH1-OE1 2.64Å; R1044-E1047 IonicContact NH1-OE2 2.7Å; R1044-E1047 PolarHBondContact NH1-OE2 2.92Å
1048N36.9Very low38.5Very low154 Ų154132.8 Ų132.882%0.82467%0.671SS**THydrogen-bonded Turntrans-124.221.3-178.9-91-27.4000114.9
1049N33Very low36.9Very low146 Ų146141.3 Ų141.378%0.78171%0.712SS**  trans-128.975170.8-84.2-38.7000110.6
1050N33.7Very low35.5Very low244 Ų244147.4 Ų147.4100%1.30575%0.745SS**  trans-153.40160.5-105.3-18.4000108.7

Retrieved 1,050 of 1,050 residues in 1178 ms (Link to these results)

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