A0A077ZM76_TRITR Loading...

ABC tran domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZM76, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 344 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
1M37.9Very low48.6Very low234 Ų234150.1 Ų150.1100%1.15375%0.752SS**  01010-138.1168.7-177.100107.1W3M1-W3 PolarHBondContact O-N 3.47Å
2K32.4Very low50.2Low209 Ų209141.8 Ų141.891%0.90971%0.711SS**  trans-66.3114179.1-80-178.6173.8-179.60107.5K4K2-K4 PolarHBondContact O-N 3.19Å
3W33.8Very low52.2Low237 Ų237140.2 Ų140.290%0.89870%0.7SS**  trans-59.5105.5168.7-83.748.6000106.9M1 G5M1-W3 PolarHBondContact O-N 3.47Å; W3-G5 PolarHBondContact O-N 3.15Å; W3-G5 VanDerWaalsContact O-N 3.17Å
4K40.4Very low53.7Low197 Ų197130.9 Ų130.986%0.85765%0.654SS**  trans-58.4119.4166.8-85.1-176.5171.9-177.40105.9K2 V6K2-K4 PolarHBondContact O-N 3.19Å; K4-V6 PolarHBondContact O-N 3Å
5G39Very low55Low67 Ų67129.4 Ų129.469%0.69165%0.649SS**  trans-51.4123.7-177.500000110.1W3 T7W3-G5 PolarHBondContact O-N 3.15Å; W3-G5 VanDerWaalsContact O-N 3.17Å; G5-T7 VanDerWaalsContact C-N 3.32Å; G5-T7 PolarHBondContact O-N 3.41Å
6V44.7Very low56.5Low125 Ų125129.9 Ų129.976%0.75865%0.648SS**  trans-65.898.3168.7178.70000105.9K4 M8K4-V6 PolarHBondContact O-N 3Å; V6-M8 PolarHBondContact O-N 2.71Å
7T49.6Very low57.5Low133 Ų133125.2 Ų125.282%0.81663%0.625SS**  trans-64.7104.4167.321.50000107.1G5 K9G5-T7 VanDerWaalsContact C-N 3.32Å; G5-T7 PolarHBondContact O-N 3.41Å; T7-K9 PolarHBondContact O-N 2.87Å
8M55Low58.7Low114 Ų114124.8 Ų124.856%0.56262%0.621SS**PPolyproline II helixtrans-61.8121173.7-75.7-146.7-80.900108.7V6V6-M8 PolarHBondContact O-N 2.71Å
9K61.9Low59.4Low185 Ų185120.3 Ų120.380%0.80460%0.597SS**PPolyproline II helixtrans-58.8140.4171.6-75.7-173.7175.1-174.60109.3T7T7-K9 PolarHBondContact O-N 2.87Å
10P68.2Low60.3Low44 Ų44115.4 Ų115.429%0.28658%0.576SS.*EExtended strand (participates in β ladder)trans-59.7144.9171.827.1-33.2000110.4E13 I36P10-E13 HydrophobicContact CB-CB 4.47Å; P10-E13 HydrophobicContact CG-CB 4.09Å; P10-E13 HydrophobicContact CG-CG 4.4Å; P10-I36 CarbonylContact C-O 3.59Å; P10-I36 WeakPolarHBondContact CA-O 3.49Å
11I71.2Confident60.6Low106 Ų106115.7 Ų115.754%0.54457%0.571SS.*EExtended strand (participates in β ladder)trans-85.6-24.517356.9164.5000111.5I36 K38I11-I36 HydrophobicContact CG1-CG2 4.45Å; I11-I36 WeakPolarHBondContact CG1-O 3.37Å; I11-I36 PolarHBondContact N-O 3.43Å; I11-K38 HydrophobicContact CG2-CB 3.7Å; I11-K38 HydrophobicContact CG2-CG 4.27Å
12I67.7Low62.2Low50 Ų50111.3 Ų111.326%0.25655%0.547SS..EExtended strand (participates in β ladder)trans-132.6128.1172.6-62.5163.4000106.1I14 F34 S35 I36 I59I12-I14 HydrophobicContact CG2-CG1 4.5Å; I12-F34 HydrophobicContact CG2-CE2 4.43Å; I12-S35 CarbonylContact O-C 3.46Å; I12-S35 VanDerWaalsContact O-CA 3.22Å; I12-S35 WeakPolarHBondContact O-CA 3.47Å; I12-I36 HydrophobicContact CB-CB 4.11Å; I12-I36 HydrophobicContact CB-CD1 4.48Å; I12-I36 HydrophobicContact CB-CG1 4.35Å; I12-I36 HydrophobicContact CD1-CB 4.46Å; I12-I36 HydrophobicContact CD1-CD1 3.98Å; I12-I36 PolarHBondContact N-O 3.16Å; I12-I36 PolarHBondContact O-N 2.99Å; I12-I59 HydrophobicContact CD1-CG2 3.92Å; I12-I59 HydrophobicContact CG2-CG2 4.16Å
13E76.9Confident63.3Low122 Ų122110.9 Ų110.957%0.5755%0.549SS*.EExtended strand (participates in β ladder)trans-133.6118.4174.7-170.4173.5179.600108.2P10 N15P10-E13 HydrophobicContact CB-CB 4.47Å; P10-E13 HydrophobicContact CG-CB 4.09Å; P10-E13 HydrophobicContact CG-CG 4.4Å; E13-N15 PolarHBondContact OE1-ND2 2.64Å
14I72.6Confident64.3Low10 Ų10109.1 Ų109.15%0.05155%0.55CS.*EExtended strand (participates in β ladder)trans-116.6123.8177.2-79.7174.1000106.8I12 I17 I32 S33 F34 I59I12-I14 HydrophobicContact CG2-CG1 4.5Å; I14-I17 HydrophobicContact CB-CD1 4.19Å; I14-I17 HydrophobicContact CD1-CD1 4.17Å; I14-I17 HydrophobicContact CG1-CD1 3.83Å; I14-I17 HydrophobicContact CG2-CB 4.1Å; I14-I17 HydrophobicContact CG2-CD1 3.54Å; I14-I17 HydrophobicContact CG2-CG1 3.77Å; I14-I32 VanDerWaalsContact CG2-O 3.24Å; I14-I32 WeakPolarHBondContact CG2-O 3.39Å; I14-S33 CarbonylContact O-C 3.54Å; I14-S33 WeakPolarHBondContact O-CA 3.39Å; I14-F34 HydrophobicContact CB-CD1 4.25Å; I14-F34 HydrophobicContact CB-CE1 4.03Å; I14-F34 HydrophobicContact CB-CZ 4.37Å; I14-F34 HydrophobicContact CD1-CE1 3.71Å; I14-F34 HydrophobicContact CD1-CE2 4.39Å; I14-F34 HydrophobicContact CD1-CZ 3.54Å; I14-F34 HydrophobicContact CG1-CE1 4.43Å; I14-F34 HydrophobicContact CG1-CZ 4.39Å; I14-F34 HydrophobicContact CG2-CD1 4.27Å; I14-F34 HydrophobicContact CG2-CE1 4.09Å; I14-F34 PolarHBondContact N-O 2.73Å; I14-F34 PolarHBondContact O-N 3.23Å; I14-F34 VanDerWaalsContact O-O 3.09Å; I14-I59 HydrophobicContact CD1-CB 4.24Å; I14-I59 HydrophobicContact CD1-CG1 3.37Å
15N74.4Confident65.7Low108 Ų108101.5 Ų101.558%0.57853%0.525SS*.EExtended strand (participates in β ladder)trans-123.3112.4-178.3-70-42.3000108.9E13 I17E13-N15 PolarHBondContact OE1-ND2 2.64Å; N15-I17 PolarHBondContact O-N 3.09Å
16Q78.5Confident67.5Low138 Ų138104.7 Ų104.765%0.64553%0.53SS*.EExtended strand (participates in β ladder)trans50.847.3172.3-52.3-165-78.400114.5E18 D31 I32 S33Q16-E18 PolarHBondContact O-N 3.28Å; Q16-D31 WeakPolarHBondContact CB-OD1 3.43Å; Q16-D31 WeakPolarHBondContact CG-OD1 3.38Å; Q16-D31 PolarHBondContact NE2-OD1 3.24Å; Q16-I32 WeakPolarHBondContact CA-O 3.47Å; Q16-I32 PolarHBondContact N-O 3.46Å; Q16-S33 WeakPolarHBondContact CA-OG 3.05Å; Q16-S33 WeakPolarHBondContact CG-OG 3.34Å; Q16-S33 PolarHBondContact N-OG 3.37Å
17I72.5Confident69.1Low49 Ų49100.6 Ų100.625%0.25151%0.506SS..EExtended strand (participates in β ladder)trans-73.8125.3175.5-69.9179.5000109.6I14 N15 L29 D31 I32 A58I14-I17 HydrophobicContact CB-CD1 4.19Å; I14-I17 HydrophobicContact CD1-CD1 4.17Å; I14-I17 HydrophobicContact CG1-CD1 3.83Å; I14-I17 HydrophobicContact CG2-CB 4.1Å; I14-I17 HydrophobicContact CG2-CD1 3.54Å; I14-I17 HydrophobicContact CG2-CG1 3.77Å; N15-I17 PolarHBondContact O-N 3.09Å; I17-L29 HydrophobicContact CG2-CD1 3.98Å; I17-D31 PolarHBondContact O-N 2.98Å; I17-I32 PolarHBondContact N-O 2.88Å; I17-I32 PolarHBondContact O-N 3.08Å; I17-A58 HydrophobicContact CD1-CB 4.38Å
18E79.2Confident70.5Confident119 Ų11995.4 Ų95.456%0.55648%0.477SS*.EExtended strand (participates in β ladder)trans-115.9138.8164.6-175.4160.8-151.500108.3Q16 P27 L29Q16-E18 PolarHBondContact O-N 3.28Å; E18-P27 HydrophobicContact CG-CB 4.08Å; E18-L29 CarbonylContact C-O 3.45Å; E18-L29 VanDerWaalsContact CA-O 3.25Å; E18-L29 WeakPolarHBondContact CA-O 3.47Å; E18-L29 WeakPolarHBondContact CG-O 3.31Å
19F72.7Confident71.8Confident38 Ų3890.3 Ų90.317%0.16745%0.452CS..EExtended strand (participates in β ladder)trans-149.2129.6-178.8-178.6-87.8000110.5Y21 P27 A28 L29 T54 D66F19-Y21 AromaticContact CE1-CD1 3.85Å; F19-Y21 HydrophobicContact CE1-CD1 3.85Å; F19-Y21 HydrophobicContact CE1-CD2 4.03Å; F19-Y21 AromaticContact CE1-CE1 3.87Å; F19-Y21 HydrophobicContact CE1-CE1 3.87Å; F19-Y21 HydrophobicContact CE1-CE2 4.03Å; F19-Y21 AromaticContact CE1-CG 3.93Å; F19-Y21 HydrophobicContact CE1-CG 3.93Å; F19-Y21 AromaticContact CE1-CZ 3.95Å; F19-Y21 HydrophobicContact CZ-CD1 4.3Å; F19-Y21 HydrophobicContact CZ-CE1 4.38Å; F19-P27 CarbonylContact O-C 3.5Å; F19-P27 WeakPolarHBondContact O-CA 3.33Å; F19-A28 HydrophobicContact CD1-CB 4.38Å; F19-A28 PolarHBondContact O-N 3.45Å; F19-L29 HydrophobicContact CB-CB 4.05Å; F19-L29 HydrophobicContact CB-CD1 4.06Å; F19-L29 HydrophobicContact CB-CG 4.18Å; F19-L29 PolarHBondContact N-O 3.06Å; F19-L29 PolarHBondContact O-N 3.05Å; F19-T54 HydrophobicContact CB-CG2 4.32Å; F19-T54 HydrophobicContact CD1-CG2 3.18Å; F19-T54 HydrophobicContact CE1-CG2 3.63Å; F19-T54 HydrophobicContact CG-CG2 3.88Å; F19-D66 VanDerWaalsContact CE2-OD1 3.26Å; F19-D66 WeakPolarHBondContact CE2-OD1 3.45Å; F19-D66 VanDerWaalsContact CZ-OD1 3.28Å; F19-D66 WeakPolarHBondContact CZ-OD1 3.22Å
20S76.6Confident73Confident23 Ų2388.3 Ų88.316%0.16144%0.444CS..  trans-128.9128.6177.6-66.80000109.3Q22 P27S20-Q22 WeakPolarHBondContact CB-O 3.19Å; S20-Q22 PolarHBondContact O-N 2.94Å; S20-Q22 VanDerWaalsContact O-N 3.07Å; S20-P27 WeakPolarHBondContact OG-CA 3.42Å; S20-P27 WeakPolarHBondContact OG-CB 3.28Å
21Y67.2Low73.8Confident122 Ų12290.8 Ų90.848%0.47845%0.454SS..SBendtrans-64.5-14.8178.7-74.5-83000114.5F19 A28 T54F19-Y21 AromaticContact CE1-CD1 3.85Å; F19-Y21 HydrophobicContact CE1-CD1 3.85Å; F19-Y21 HydrophobicContact CE1-CD2 4.03Å; F19-Y21 AromaticContact CE1-CE1 3.87Å; F19-Y21 HydrophobicContact CE1-CE1 3.87Å; F19-Y21 HydrophobicContact CE1-CE2 4.03Å; F19-Y21 AromaticContact CE1-CG 3.93Å; F19-Y21 HydrophobicContact CE1-CG 3.93Å; F19-Y21 AromaticContact CE1-CZ 3.95Å; F19-Y21 HydrophobicContact CZ-CD1 4.3Å; F19-Y21 HydrophobicContact CZ-CE1 4.38Å; Y21-A28 HydrophobicContact CD2-CB 3.86Å; Y21-A28 HydrophobicContact CE2-CB 3.71Å; Y21-T54 HydrophobicContact CE2-CG2 4.25Å; Y21-T54 WeakPolarHBondContact CE2-OG1 3.38Å; Y21-T54 PolarHBondContact OH-OG1 3.01Å
22Q70.6Confident74.2Confident141 Ų14188.3 Ų88.366%0.65944%0.442SS*.SBendtrans-148.9146.9177.9-61.4-179.7-14.600108.7S20 E24 A25S20-Q22 WeakPolarHBondContact CB-O 3.19Å; S20-Q22 PolarHBondContact O-N 2.94Å; S20-Q22 VanDerWaalsContact O-N 3.07Å; Q22-E24 PolarHBondContact O-N 3.45Å; Q22-E24 VanDerWaalsContact O-N 3.1Å; Q22-A25 HydrophobicContact CB-CB 3.94Å; Q22-A25 PolarHBondContact O-N 3.17Å
23E56.4Low74.8Confident201 Ų20188.9 Ų88.994%0.93945%0.45SS*.THydrogen-bonded Turntrans-57.6-26.8-174.4-72.5-173.2150.400114.5
24E55.7Low75.1Confident199 Ų19985.7 Ų85.793%0.9344%0.435SS*.THydrogen-bonded Turntrans-108.86.5179.6-63.2-171.4163.400114Q22Q22-E24 PolarHBondContact O-N 3.45Å; Q22-E24 VanDerWaalsContact O-N 3.1Å
25A69.8Low75.5Confident38 Ų3888.1 Ų88.131%0.31445%0.452SS..SBendtrans-86.7158.1-18000000112.6Q22Q22-A25 HydrophobicContact CB-CB 3.94Å; Q22-A25 PolarHBondContact O-N 3.17Å
26T75.8Confident75.6Confident133 Ų13383.7 Ų83.782%0.81643%0.429SS*.PPolyproline II helixtrans-62128.2170.9-26.20000109.2A28T26-A28 PolarHBondContact O-N 3.39Å
27P77.9Confident75.6Confident39 Ų3981.6 Ų81.625%0.25342%0.417SS..PPolyproline II helixtrans-59.2128.6-176.716.7-28.3000111.8E18 F19 S20 L29 K30E18-P27 HydrophobicContact CG-CB 4.08Å; F19-P27 CarbonylContact O-C 3.5Å; F19-P27 WeakPolarHBondContact O-CA 3.33Å; S20-P27 WeakPolarHBondContact OG-CA 3.42Å; S20-P27 WeakPolarHBondContact OG-CB 3.28Å; P27-L29 VanDerWaalsContact C-N 3.3Å; P27-L29 WeakPolarHBondContact CB-O 3.41Å; P27-K30 HydrophobicContact CB-CB 4.38Å; P27-K30 HydrophobicContact CG-CB 4.21Å; P27-K30 HydrophobicContact CG-CD 4.17Å; P27-K30 HydrophobicContact CG-CG 4.38Å
28A80.4Confident75.5Confident24 Ų2486.7 Ų86.720%0.19844%0.438CS..SBendtrans-71.4-27.517500000111.7F19 Y21 T26 G51 T54F19-A28 HydrophobicContact CD1-CB 4.38Å; F19-A28 PolarHBondContact O-N 3.45Å; Y21-A28 HydrophobicContact CD2-CB 3.86Å; Y21-A28 HydrophobicContact CE2-CB 3.71Å; T26-A28 PolarHBondContact O-N 3.39Å; A28-G51 WeakPolarHBondContact O-CA 3.3Å; A28-T54 HydrophobicContact CB-CG2 4.12Å
29L82.4Confident75.2Confident8 Ų884.1 Ų84.14%0.04244%0.443CS..EExtended strand (participates in β ladder)trans-127.6135.3166.3-56176.7000108I17 E18 F19 P27 I32 T54 L55 A58I17-L29 HydrophobicContact CG2-CD1 3.98Å; E18-L29 CarbonylContact C-O 3.45Å; E18-L29 VanDerWaalsContact CA-O 3.25Å; E18-L29 WeakPolarHBondContact CA-O 3.47Å; E18-L29 WeakPolarHBondContact CG-O 3.31Å; F19-L29 HydrophobicContact CB-CB 4.05Å; F19-L29 HydrophobicContact CB-CD1 4.06Å; F19-L29 HydrophobicContact CB-CG 4.18Å; F19-L29 PolarHBondContact N-O 3.06Å; F19-L29 PolarHBondContact O-N 3.05Å; P27-L29 VanDerWaalsContact C-N 3.3Å; P27-L29 WeakPolarHBondContact CB-O 3.41Å; L29-I32 HydrophobicContact CB-CG1 4.17Å; L29-I32 HydrophobicContact CD2-CG1 4.45Å; L29-T54 HydrophobicContact CD1-CG2 3.87Å; L29-T54 HydrophobicContact CD2-CG2 4.48Å; L29-T54 HydrophobicContact CG-CG2 3.82Å; L29-L55 HydrophobicContact CD1-CB 4.38Å; L29-L55 HydrophobicContact CD1-CD1 3.98Å; L29-L55 HydrophobicContact CD2-CB 3.69Å; L29-L55 HydrophobicContact CD2-CD1 4.05Å; L29-L55 HydrophobicContact CD2-CG 4.38Å; L29-A58 HydrophobicContact CD1-CB 4.05Å
30K86.2Confident75.5Confident143 Ų14386.6 Ų86.662%0.62246%0.455SS*.EExtended strand (participates in β ladder)trans-135.6118.7178.5-174.2175.1-175.4173.40110P27 I32P27-K30 HydrophobicContact CB-CB 4.38Å; P27-K30 HydrophobicContact CG-CB 4.21Å; P27-K30 HydrophobicContact CG-CD 4.17Å; P27-K30 HydrophobicContact CG-CG 4.38Å; K30-I32 VanDerWaalsContact C-N 3.26Å; K30-I32 PolarHBondContact O-N 3.27Å
31D85.1Confident75.3Confident95 Ų9597.8 Ų97.851%0.50849%0.494SS..EExtended strand (participates in β ladder)trans48.144.9176.8-165.624.7000113.4Q16 I17 S33Q16-D31 WeakPolarHBondContact CB-OD1 3.43Å; Q16-D31 WeakPolarHBondContact CG-OD1 3.38Å; Q16-D31 PolarHBondContact NE2-OD1 3.24Å; I17-D31 PolarHBondContact O-N 2.98Å; D31-S33 PolarHBondContact O-N 3.07Å
32I80.4Confident75.9Confident54 Ų5496 Ų9628%0.27750%0.496SS..EExtended strand (participates in β ladder)trans-83.8120.5-179.4-57.1-61.1000109.2I14 Q16 I17 L29 K30 F34 L55I14-I32 VanDerWaalsContact CG2-O 3.24Å; I14-I32 WeakPolarHBondContact CG2-O 3.39Å; Q16-I32 WeakPolarHBondContact CA-O 3.47Å; Q16-I32 PolarHBondContact N-O 3.46Å; I17-I32 PolarHBondContact N-O 2.88Å; I17-I32 PolarHBondContact O-N 3.08Å; L29-I32 HydrophobicContact CB-CG1 4.17Å; L29-I32 HydrophobicContact CD2-CG1 4.45Å; K30-I32 VanDerWaalsContact C-N 3.26Å; K30-I32 PolarHBondContact O-N 3.27Å; I32-F34 HydrophobicContact CG2-CD1 3.87Å; I32-F34 HydrophobicContact CG2-CE1 3.96Å; I32-L55 HydrophobicContact CB-CD1 4.45Å; I32-L55 HydrophobicContact CG2-CD1 3.8Å; I32-L55 HydrophobicContact CG2-CD2 4.27Å
33S79.7Confident76.1Confident63 Ų6393.2 Ų93.244%0.44150%0.496SS..EExtended strand (participates in β ladder)trans-130.3127.8174.7-55.80000110.9I14 Q16 D31I14-S33 CarbonylContact O-C 3.54Å; I14-S33 WeakPolarHBondContact O-CA 3.39Å; Q16-S33 WeakPolarHBondContact CA-OG 3.05Å; Q16-S33 WeakPolarHBondContact CG-OG 3.34Å; Q16-S33 PolarHBondContact N-OG 3.37Å; D31-S33 PolarHBondContact O-N 3.07Å
34F84.1Confident77.2Confident55 Ų5586.9 Ų86.924%0.24147%0.468CS..EExtended strand (participates in β ladder)trans-162.9165.2169.866-84.6000111.4I12 I14 I32 I36 L55 I59I12-F34 HydrophobicContact CG2-CE2 4.43Å; I14-F34 HydrophobicContact CB-CD1 4.25Å; I14-F34 HydrophobicContact CB-CE1 4.03Å; I14-F34 HydrophobicContact CB-CZ 4.37Å; I14-F34 HydrophobicContact CD1-CE1 3.71Å; I14-F34 HydrophobicContact CD1-CE2 4.39Å; I14-F34 HydrophobicContact CD1-CZ 3.54Å; I14-F34 HydrophobicContact CG1-CE1 4.43Å; I14-F34 HydrophobicContact CG1-CZ 4.39Å; I14-F34 HydrophobicContact CG2-CD1 4.27Å; I14-F34 HydrophobicContact CG2-CE1 4.09Å; I14-F34 PolarHBondContact N-O 2.73Å; I14-F34 PolarHBondContact O-N 3.23Å; I14-F34 VanDerWaalsContact O-O 3.09Å; I32-F34 HydrophobicContact CG2-CD1 3.87Å; I32-F34 HydrophobicContact CG2-CE1 3.96Å; F34-I36 HydrophobicContact CD2-CD1 4.31Å; F34-I36 HydrophobicContact CD2-CG1 3.86Å; F34-I36 HydrophobicContact CE2-CD1 3.73Å; F34-I36 HydrophobicContact CE2-CG1 3.76Å; F34-L55 HydrophobicContact CE1-CD1 4.04Å; F34-L55 HydrophobicContact CE1-CD2 4.26Å; F34-L55 HydrophobicContact CE1-CG 4.4Å; F34-I59 HydrophobicContact CE2-CD1 4.37Å; F34-I59 HydrophobicContact CE2-CG1 4.5Å; F34-I59 HydrophobicContact CZ-CD1 3.64Å; F34-I59 HydrophobicContact CZ-CG1 3.71Å
35S79.9Confident78.3Confident60 Ų6083.3 Ų83.342%0.4246%0.46SS..EExtended strand (participates in β ladder)trans-130.9145172.362.10000110.5I12I12-S35 CarbonylContact O-C 3.46Å; I12-S35 VanDerWaalsContact O-CA 3.22Å; I12-S35 WeakPolarHBondContact O-CA 3.47Å
36I76.5Confident79Confident16 Ų1683.6 Ų83.68%0.08247%0.466CS..EExtended strand (participates in β ladder)trans-117.9127.1175.6-53.1-178.6000107.5P10 I11 I12 F34 E40 V42P10-I36 CarbonylContact C-O 3.59Å; P10-I36 WeakPolarHBondContact CA-O 3.49Å; I11-I36 HydrophobicContact CG1-CG2 4.45Å; I11-I36 WeakPolarHBondContact CG1-O 3.37Å; I11-I36 PolarHBondContact N-O 3.43Å; I12-I36 HydrophobicContact CB-CB 4.11Å; I12-I36 HydrophobicContact CB-CD1 4.48Å; I12-I36 HydrophobicContact CB-CG1 4.35Å; I12-I36 HydrophobicContact CD1-CB 4.46Å; I12-I36 HydrophobicContact CD1-CD1 3.98Å; I12-I36 PolarHBondContact N-O 3.16Å; I12-I36 PolarHBondContact O-N 2.99Å; F34-I36 HydrophobicContact CD2-CD1 4.31Å; F34-I36 HydrophobicContact CD2-CG1 3.86Å; F34-I36 HydrophobicContact CE2-CD1 3.73Å; F34-I36 HydrophobicContact CE2-CG1 3.76Å; I36-E40 HydrophobicContact CG2-CB 3.95Å; I36-V42 HydrophobicContact CD1-CB 3.97Å; I36-V42 HydrophobicContact CD1-CG1 4.19Å; I36-V42 HydrophobicContact CD1-CG2 3.99Å; I36-V42 HydrophobicContact CG1-CG2 4.02Å; I36-V42 HydrophobicContact CG2-CG2 3.85Å
37K78Confident79.1Confident94 Ų9484.1 Ų84.141%0.40946%0.459SS..EExtended strand (participates in β ladder)trans-90.3159.8177.7-59.6175.5-173.2159.70111.5G39 E40K37-G39 PolarHBondContact O-N 3.39Å; K37-G39 VanDerWaalsContact O-N 3.15Å; K37-E40 HydrophobicContact CB-CG 4.07Å; K37-E40 PolarHBondContact N-OE2 2.93Å; K37-E40 WeakPolarHBondContact O-CB 3.35Å; K37-E40 PolarHBondContact O-N 3.07Å; K37-E40 VanDerWaalsContact O-N 3.07Å
38K71.3Confident78.9Confident156 Ų15689.5 Ų89.568%0.67849%0.486SS*.THydrogen-bonded Turntrans-56.4121.1175.9-169.3174-179175.10110.5I11I11-K38 HydrophobicContact CG2-CB 3.7Å; I11-K38 HydrophobicContact CG2-CG 4.27Å
39G72.4Confident78.7Confident64 Ų6492.1 Ų92.166%0.6652%0.515SS*.THydrogen-bonded Turntrans91.1-1.9178.800000115.3K37K37-G39 PolarHBondContact O-N 3.39Å; K37-G39 VanDerWaalsContact O-N 3.15Å
40E78.9Confident78.7Confident91 Ų9193.9 Ų93.943%0.42553%0.528SS..  trans-76.8135.5172.5-71.5178.7169.500110.9I36 K37 V42I36-E40 HydrophobicContact CG2-CB 3.95Å; K37-E40 HydrophobicContact CB-CG 4.07Å; K37-E40 PolarHBondContact N-OE2 2.93Å; K37-E40 WeakPolarHBondContact O-CB 3.35Å; K37-E40 PolarHBondContact O-N 3.07Å; K37-E40 VanDerWaalsContact O-N 3.07Å; E40-V42 HydrophobicContact CB-CG2 4.32Å
41W72.4Confident78.5Confident258 Ų25887.4 Ų87.498%0.97750%0.502SS*.  trans-100115.5171.8-69.878.2000108.3
42V79.3Confident78.3Confident85 Ų8585.5 Ų85.552%0.51549%0.489SS..  trans-122.2132.7-175.1-178.40000109.5I36 E40I36-V42 HydrophobicContact CD1-CB 3.97Å; I36-V42 HydrophobicContact CD1-CG1 4.19Å; I36-V42 HydrophobicContact CD1-CG2 3.99Å; I36-V42 HydrophobicContact CG1-CG2 4.02Å; I36-V42 HydrophobicContact CG2-CG2 3.85Å; E40-V42 HydrophobicContact CB-CG2 4.32Å
43A76.1Confident78Confident82 Ų8287 Ų8768%0.67851%0.505SS*.  trans-111.7134.1174.700000110.3V45A43-V45 HydrophobicContact CB-CG1 4.39Å
44I78.9Confident77.8Confident67 Ų6784.5 Ų84.534%0.34449%0.487SS..  trans-93.8113.6173-54.5172.3000107.9K52 L55 A56 I59I44-K52 HydrophobicContact CG2-CB 3.97Å; I44-K52 HydrophobicContact CG2-CG 4Å; I44-L55 HydrophobicContact CD1-CB 4.48Å; I44-L55 HydrophobicContact CD1-CD2 4.32Å; I44-L55 HydrophobicContact CD1-CG 4.28Å; I44-L55 HydrophobicContact CG2-CD2 4.1Å; I44-A56 HydrophobicContact CD1-CB 4.4Å; I44-I59 HydrophobicContact CD1-CD1 3.49Å; I44-I59 VanDerWaalsContact CD1-CD1 3.49Å
45V79.4Confident77.4Confident125 Ų12583 Ų8376%0.75848%0.481SS*.  trans-123.8152.3-175.6-64.70000111.5A43A43-V45 HydrophobicContact CB-CG1 4.39Å
46G83Confident77.1Confident44 Ų4481.8 Ų81.845%0.45448%0.475SS..  trans158.6164.8-173.100000112.1K52G46-K52 WeakPolarHBondContact O-CE 3.1Å; G46-K52 PolarHBondContact O-NZ 3.47Å
47H78.1Confident76.5Confident143 Ų14384.4 Ų84.466%0.66249%0.486SS*.  trans-69.6166.3179.261.978.6000112.5G49 S50 K52H47-G49 PolarHBondContact O-N 3.47Å; H47-S50 VanDerWaalsContact O-CB 3.23Å; H47-S50 WeakPolarHBondContact O-CB 3.29Å; H47-S50 PolarHBondContact O-N 3.36Å; H47-S50 VanDerWaalsContact O-N 3.13Å; H47-S50 PolarHBondContact O-OG 2.83Å; H47-K52 VanDerWaalsContact C-NZ 3.33Å; H47-K52 PolarHBondContact O-NZ 3.29Å
48N73.8Confident75.9Confident153 Ų15381.3 Ų81.382%0.81848%0.477SS*.THydrogen-bonded Turntrans-58.4135.7173.4-74.5-7.7000110.3S50N48-S50 VanDerWaalsContact C-N 3.34Å
49G76.6Confident75.7Confident79 Ų7975.9 Ų75.981%0.81446%0.455SS*.THydrogen-bonded Turntrans82.4-3.9-174.400000116.1H47 G51H47-G49 PolarHBondContact O-N 3.47Å; G49-G51 PolarHBondContact O-N 3.08Å
50S82.6Confident75.2Confident45 Ų4574.6 Ų74.632%0.31543%0.434SS..SBendtrans-74.815.7-177.880.40000115.4H47 N48 K52H47-S50 VanDerWaalsContact O-CB 3.23Å; H47-S50 WeakPolarHBondContact O-CB 3.29Å; H47-S50 PolarHBondContact O-N 3.36Å; H47-S50 VanDerWaalsContact O-N 3.13Å; H47-S50 PolarHBondContact O-OG 2.83Å; N48-S50 VanDerWaalsContact C-N 3.34Å; S50-K52 PolarHBondContact O-N 3.32Å; S50-K52 WeakPolarHBondContact OG-CG 3.49Å
51G81.3Confident73.8Confident7 Ų771.9 Ų71.97%0.07243%0.429CS..SBendtrans80.43.5-179.500000116.9A28 G49 S53 T54 L55A28-G51 WeakPolarHBondContact O-CA 3.3Å; G49-G51 PolarHBondContact O-N 3.08Å; G51-S53 PolarHBondContact O-N 3.04Å; G51-T54 CarbonylContact O-C 3.5Å; G51-T54 WeakPolarHBondContact O-CA 3.37Å; G51-T54 VanDerWaalsContact O-CB 3.28Å; G51-T54 WeakPolarHBondContact O-CB 3.45Å; G51-T54 PolarHBondContact O-N 2.93Å; G51-L55 PolarHBondContact O-N 3.08Å
52K82.4Confident72.4Confident54 Ų5462 Ų6224%0.23540%0.395CS..Hα-helixtrans-53.2-48.7-176.6-58.2-175-65.3-69.90114.1I44 G46 H47 S50 T54 L55 A56I44-K52 HydrophobicContact CG2-CB 3.97Å; I44-K52 HydrophobicContact CG2-CG 4Å; G46-K52 WeakPolarHBondContact O-CE 3.1Å; G46-K52 PolarHBondContact O-NZ 3.47Å; H47-K52 VanDerWaalsContact C-NZ 3.33Å; H47-K52 PolarHBondContact O-NZ 3.29Å; S50-K52 PolarHBondContact O-N 3.32Å; S50-K52 WeakPolarHBondContact OG-CG 3.49Å; K52-T54 VanDerWaalsContact C-N 3.31Å; K52-L55 PolarHBondContact O-N 3.07Å; K52-A56 WeakPolarHBondContact O-CB 3.48Å; K52-A56 PolarHBondContact O-N 3.33Å
53S73.5Confident70.4Confident87 Ų8765.7 Ų65.761%0.60841%0.407SS*.Hα-helixtrans-66.6-36.8179.2-54.30000111.4G51 A56 K57G51-S53 PolarHBondContact O-N 3.04Å; S53-A56 PolarHBondContact O-N 3.13Å; S53-K57 WeakPolarHBondContact O-CG 3.5Å; S53-K57 PolarHBondContact O-N 2.81Å
54T74.9Confident68.5Low10 Ų1064.7 Ų64.76%0.06139%0.39CS..Hα-helixtrans-63.3-45173.6-45.60000111F19 Y21 A28 L29 G51 K52 A56 K57 A58F19-T54 HydrophobicContact CB-CG2 4.32Å; F19-T54 HydrophobicContact CD1-CG2 3.18Å; F19-T54 HydrophobicContact CE1-CG2 3.63Å; F19-T54 HydrophobicContact CG-CG2 3.88Å; Y21-T54 HydrophobicContact CE2-CG2 4.25Å; Y21-T54 WeakPolarHBondContact CE2-OG1 3.38Å; Y21-T54 PolarHBondContact OH-OG1 3.01Å; A28-T54 HydrophobicContact CB-CG2 4.12Å; L29-T54 HydrophobicContact CD1-CG2 3.87Å; L29-T54 HydrophobicContact CD2-CG2 4.48Å; L29-T54 HydrophobicContact CG-CG2 3.82Å; G51-T54 CarbonylContact O-C 3.5Å; G51-T54 WeakPolarHBondContact O-CA 3.37Å; G51-T54 VanDerWaalsContact O-CB 3.28Å; G51-T54 WeakPolarHBondContact O-CB 3.45Å; G51-T54 PolarHBondContact O-N 2.93Å; K52-T54 VanDerWaalsContact C-N 3.31Å; T54-A56 VanDerWaalsContact C-N 3.35Å; T54-A56 PolarHBondContact O-N 3.36Å; T54-K57 WeakPolarHBondContact O-CB 3.31Å; T54-K57 PolarHBondContact O-N 3.35Å; T54-K57 VanDerWaalsContact O-N 3.17Å; T54-A58 PolarHBondContact O-N 2.86Å
55L76.2Confident66.4Low22 Ų2267 Ų6712%0.11540%0.403CS..Hα-helixtrans-64.3-40.8177.3-168.855.9000111.5L29 I32 F34 I44 G51 K52 K57 A58 I59L29-L55 HydrophobicContact CD1-CB 4.38Å; L29-L55 HydrophobicContact CD1-CD1 3.98Å; L29-L55 HydrophobicContact CD2-CB 3.69Å; L29-L55 HydrophobicContact CD2-CD1 4.05Å; L29-L55 HydrophobicContact CD2-CG 4.38Å; I32-L55 HydrophobicContact CB-CD1 4.45Å; I32-L55 HydrophobicContact CG2-CD1 3.8Å; I32-L55 HydrophobicContact CG2-CD2 4.27Å; F34-L55 HydrophobicContact CE1-CD1 4.04Å; F34-L55 HydrophobicContact CE1-CD2 4.26Å; F34-L55 HydrophobicContact CE1-CG 4.4Å; I44-L55 HydrophobicContact CD1-CB 4.48Å; I44-L55 HydrophobicContact CD1-CD2 4.32Å; I44-L55 HydrophobicContact CD1-CG 4.28Å; I44-L55 HydrophobicContact CG2-CD2 4.1Å; G51-L55 PolarHBondContact O-N 3.08Å; K52-L55 PolarHBondContact O-N 3.07Å; L55-K57 VanDerWaalsContact C-N 3.32Å; L55-K57 PolarHBondContact O-N 3.29Å; L55-A58 PolarHBondContact O-N 2.97Å; L55-I59 HydrophobicContact CG-CD1 4.19Å; L55-I59 WeakPolarHBondContact O-CD1 3.31Å; L55-I59 WeakPolarHBondContact O-CG1 3.27Å; L55-I59 PolarHBondContact O-N 2.96Å
56A73.4Confident64.3Low35 Ų3564.7 Ų64.729%0.28939%0.386SS..Hα-helixtrans-62.6-37.7174.200000112.1I44 K52 S53 T54 N60I44-A56 HydrophobicContact CD1-CB 4.4Å; K52-A56 WeakPolarHBondContact O-CB 3.48Å; K52-A56 PolarHBondContact O-N 3.33Å; S53-A56 PolarHBondContact O-N 3.13Å; T54-A56 VanDerWaalsContact C-N 3.35Å; T54-A56 PolarHBondContact O-N 3.36Å; A56-N60 WeakPolarHBondContact O-CB 3.49Å; A56-N60 PolarHBondContact O-N 2.87Å; A56-N60 PolarHBondContact O-ND2 2.94Å
57K63.8Low61.9Low72 Ų7266.7 Ų66.731%0.31341%0.407SS..Hα-helixtrans-66.1-45.5173.6-72.4172.2178.6-175.90111.7S53 T54 L55 I59 N60 G61 L62 L64S53-K57 WeakPolarHBondContact O-CG 3.5Å; S53-K57 PolarHBondContact O-N 2.81Å; T54-K57 WeakPolarHBondContact O-CB 3.31Å; T54-K57 PolarHBondContact O-N 3.35Å; T54-K57 VanDerWaalsContact O-N 3.17Å; L55-K57 VanDerWaalsContact C-N 3.32Å; L55-K57 PolarHBondContact O-N 3.29Å; K57-I59 PolarHBondContact O-N 2.93Å; K57-N60 CarbonylContact O-C 3.59Å; K57-N60 WeakPolarHBondContact O-CA 3.4Å; K57-N60 PolarHBondContact O-N 3.26Å; K57-N60 VanDerWaalsContact O-N 3.11Å; K57-G61 PolarHBondContact O-N 3.22Å; K57-L62 PolarHBondContact O-N 3.21Å; K57-L64 HydrophobicContact CD-CD1 3.99Å
58A65.7Low59.8Low28 Ų2866.4 Ų66.423%0.23141%0.409CS..Hα-helixtrans-60.5-43.8176.700000112.5I17 L29 T54 L55 N60 G61I17-A58 HydrophobicContact CD1-CB 4.38Å; L29-A58 HydrophobicContact CD1-CB 4.05Å; T54-A58 PolarHBondContact O-N 2.86Å; L55-A58 PolarHBondContact O-N 2.97Å; A58-N60 VanDerWaalsContact C-N 3.25Å; A58-N60 PolarHBondContact O-N 2.81Å; A58-G61 PolarHBondContact O-N 3.18Å
59I67.6Low58.4Low42 Ų4263.4 Ų63.422%0.21540%0.397CS..Hα-helixtrans-58.7-38.7173.4-68.8162000111.8I12 I14 F34 I44 L55 K57 G61I12-I59 HydrophobicContact CD1-CG2 3.92Å; I12-I59 HydrophobicContact CG2-CG2 4.16Å; I14-I59 HydrophobicContact CD1-CB 4.24Å; I14-I59 HydrophobicContact CD1-CG1 3.37Å; F34-I59 HydrophobicContact CE2-CD1 4.37Å; F34-I59 HydrophobicContact CE2-CG1 4.5Å; F34-I59 HydrophobicContact CZ-CD1 3.64Å; F34-I59 HydrophobicContact CZ-CG1 3.71Å; I44-I59 HydrophobicContact CD1-CD1 3.49Å; I44-I59 VanDerWaalsContact CD1-CD1 3.49Å; L55-I59 HydrophobicContact CG-CD1 4.19Å; L55-I59 WeakPolarHBondContact O-CD1 3.31Å; L55-I59 WeakPolarHBondContact O-CG1 3.27Å; L55-I59 PolarHBondContact O-N 2.96Å; K57-I59 PolarHBondContact O-N 2.93Å; I59-G61 PolarHBondContact O-N 3.31Å; I59-G61 VanDerWaalsContact O-N 3.15Å
60N60.3Low57.5Low38 Ų3863.4 Ų63.420%0.20338%0.376CS..THydrogen-bonded Turntrans-78.217177.3-75.9-61.5000112.3A56 K57 A58 L62 K133 N134A56-N60 WeakPolarHBondContact O-CB 3.49Å; A56-N60 PolarHBondContact O-N 2.87Å; A56-N60 PolarHBondContact O-ND2 2.94Å; K57-N60 CarbonylContact O-C 3.59Å; K57-N60 WeakPolarHBondContact O-CA 3.4Å; K57-N60 PolarHBondContact O-N 3.26Å; K57-N60 VanDerWaalsContact O-N 3.11Å; A58-N60 VanDerWaalsContact C-N 3.25Å; A58-N60 PolarHBondContact O-N 2.81Å; N60-L62 PolarHBondContact O-N 3.41Å; N60-K133 HydrophobicContact CB-CB 4.45Å; N60-K133 HydrophobicContact CB-CG 4.39Å; N60-K133 WeakPolarHBondContact O-CD 3.46Å; N60-K133 WeakPolarHBondContact O-CE 3.47Å; N60-K133 WeakPolarHBondContact O-CG 3.41Å; N60-N134 PolarHBondContact OD1-N 2.93Å
61G50.7Low56.9Low33 Ų3364.2 Ų64.234%0.3438%0.377SS..THydrogen-bonded Turntrans49.529.5177.500000114K57 A58 I59 H63 K133K57-G61 PolarHBondContact O-N 3.22Å; A58-G61 PolarHBondContact O-N 3.18Å; I59-G61 PolarHBondContact O-N 3.31Å; I59-G61 VanDerWaalsContact O-N 3.15Å; G61-H63 VanDerWaalsContact C-N 3.27Å; G61-H63 PolarHBondContact O-N 3.33Å; G61-K133 PolarHBondContact O-NZ 3.25Å
62L41.9Very low56.8Low50 Ų5065.4 Ų65.426%0.26238%0.382SS..  trans-86.882.6165.8-67.8170.1000104.7K57 N60 L64 V138K57-L62 PolarHBondContact O-N 3.21Å; N60-L62 PolarHBondContact O-N 3.41Å; L62-L64 PolarHBondContact O-N 3.33Å; L62-V138 HydrophobicContact CD2-CG2 4.44Å
63H37.6Very low56.6Low163 Ų16371 Ų7176%0.75540%0.401SS*.  trans-59.892.7151-84.5-81.1000105.5G61 D65G61-H63 VanDerWaalsContact C-N 3.27Å; G61-H63 PolarHBondContact O-N 3.33Å; H63-D65 IonicContact ND1-OD1 2.84Å; H63-D65 PolarHBondContact O-N 3Å
64L36.9Very low57Low62 Ų6267.6 Ų67.633%0.32538%0.375SS..  trans-77.389.3151.2-69.1164.2000102.2K57 L62 D66K57-L64 HydrophobicContact CD-CD1 3.99Å; L62-L64 PolarHBondContact O-N 3.33Å; L64-D66 PolarHBondContact O-N 3.44Å
65D35.5Very low57.3Low114 Ų11472.9 Ų72.961%0.6140%0.399SS*.  trans-56.1127.8170.9-82.8-21.4000107.4H63 G67H63-D65 IonicContact ND1-OD1 2.84Å; H63-D65 PolarHBondContact O-N 3Å; D65-G67 PolarHBondContact O-N 3.18Å; D65-G67 VanDerWaalsContact O-N 3.1Å
66D33.9Very low57.7Low77 Ų7778.9 Ų78.941%0.41243%0.425SS..THydrogen-bonded Turntrans-56.9113.3-178.6-70.2-42.8000109.1F19 L64 L68F19-D66 VanDerWaalsContact CE2-OD1 3.26Å; F19-D66 WeakPolarHBondContact CE2-OD1 3.45Å; F19-D66 VanDerWaalsContact CZ-OD1 3.28Å; F19-D66 WeakPolarHBondContact CZ-OD1 3.22Å; L64-D66 PolarHBondContact O-N 3.44Å; D66-L68 VanDerWaalsContact C-N 3.3Å; D66-L68 PolarHBondContact O-N 3.39Å
67G33.1Very low58Low86 Ų8678.1 Ų78.189%0.88742%0.416SS*.THydrogen-bonded Turntrans67.98.2163.100000118.5D65D65-G67 PolarHBondContact O-N 3.18Å; D65-G67 VanDerWaalsContact O-N 3.1Å
68L33.8Very low59Low137 Ų13775.8 Ų75.872%0.71741%0.409SS*.SBendtrans-126.1112.4177.7-96.195.4000112.3D66D66-L68 VanDerWaalsContact C-N 3.3Å; D66-L68 PolarHBondContact O-N 3.39Å
69V43.9Very low60Low91 Ų9176 Ų7655%0.55240%0.404SS*.  trans41.1106.2152.2-160.30000116.8D71 E101V69-D71 VanDerWaalsContact C-N 3.25Å; V69-D71 VanDerWaalsContact CG1-OD1 3.25Å; V69-D71 WeakPolarHBondContact CG1-OD1 3.32Å; V69-D71 PolarHBondContact O-N 2.74Å; V69-E101 WeakPolarHBondContact CA-OE2 3.34Å; V69-E101 HydrophobicContact CG1-CB 3.59Å
70M57.7Low61Low78 Ų7875.2 Ų75.238%0.38440%0.401SS..  trans-78.272.3173.5-100.6-176.3-70.400112.5E101 K141 E220M70-E101 PolarHBondContact N-OE2 3.31Å; M70-K141 HydrophobicContact SD-CD 3.91Å; M70-K141 PolarHBondContact SD-NZ 2.91Å; M70-E220 WeakPolarHBondContact CE-OE1 3.27Å; M70-E220 WeakPolarHBondContact CE-OE2 3.21Å
71D71.8Confident62.2Low63 Ų6376.5 Ų76.534%0.33740%0.404SS..  trans-69.9130.9164.5-83.118.5000109.8V69 N98 I99 K100 E101V69-D71 VanDerWaalsContact C-N 3.25Å; V69-D71 VanDerWaalsContact CG1-OD1 3.25Å; V69-D71 WeakPolarHBondContact CG1-OD1 3.32Å; V69-D71 PolarHBondContact O-N 2.74Å; D71-N98 WeakPolarHBondContact CB-OD1 3.11Å; D71-N98 PolarHBondContact OD2-ND2 2.71Å; D71-I99 CarbonylContact C-O 3.55Å; D71-I99 WeakPolarHBondContact CA-O 3.2Å; D71-K100 VanDerWaalsContact OD1-CA 3.24Å; D71-K100 WeakPolarHBondContact OD1-CA 3.4Å; D71-E101 PolarHBondContact OD1-N 3.48Å
72I77.6Confident64Low32 Ų3280.1 Ų80.116%0.16441%0.412CS..EExtended strand (participates in β ladder)trans-88.9111.8168.4-60.4168.6000108.6F74 N98 I99 L122 V221I72-F74 HydrophobicContact CG2-CD2 4.15Å; I72-F74 HydrophobicContact CG2-CE2 3.75Å; I72-N98 CarbonylContact O-C 3.58Å; I72-N98 WeakPolarHBondContact O-CA 3.46Å; I72-N98 PolarHBondContact O-OD1 2.76Å; I72-I99 HydrophobicContact CB-CB 4.12Å; I72-I99 HydrophobicContact CB-CG1 4.46Å; I72-I99 PolarHBondContact N-O 2.93Å; I72-I99 PolarHBondContact O-N 2.84Å; I72-L122 HydrophobicContact CD1-CD2 4.06Å; I72-L122 HydrophobicContact CG2-CD2 3.57Å; I72-V221 HydrophobicContact CD1-CB 4.25Å; I72-V221 HydrophobicContact CD1-CG1 3.75Å; I72-V221 HydrophobicContact CD1-CG2 3.83Å
73R79.6Confident66.1Low172 Ų17280.8 Ų80.865%0.64942%0.419SS*.EExtended strand (participates in β ladder)trans-112.2130.2-179.6-160.8174.9-177-167.3-1.9112.2E75 L97R73-E75 VanDerWaalsContact CD-OE1 3.29Å; R73-E75 WeakPolarHBondContact CD-OE1 3.47Å; R73-E75 HydrophobicContact CG-CG 4.01Å; R73-E75 IonicContact CZ-OE1 3Å; R73-E75 IonicContact NE-OE1 3.65Å; R73-E75 PolarHBondContact NE-OE1 3.4Å; R73-E75 VanDerWaalsContact NE-OE1 3.14Å; R73-E75 IonicContact NH1-OE1 3.57Å; R73-E75 PolarHBondContact NH1-OE1 2.9Å; R73-E75 IonicContact NH2-OE1 3.82Å; R73-L97 CarbonylContact C-O 3.48Å; R73-L97 WeakPolarHBondContact CA-O 3.35Å
74F81.2Confident68.6Low14 Ų1480.4 Ų80.46%0.06142%0.423CS..EExtended strand (participates in β ladder)trans-102.5128.6165.4-69.3-129.4000106.9I72 V77 I95 D96 L97 L118 H121 L122I72-F74 HydrophobicContact CG2-CD2 4.15Å; I72-F74 HydrophobicContact CG2-CE2 3.75Å; F74-V77 HydrophobicContact CB-CB 4.29Å; F74-V77 HydrophobicContact CB-CG2 3.74Å; F74-V77 HydrophobicContact CD1-CB 3.67Å; F74-V77 HydrophobicContact CD1-CG1 3.89Å; F74-V77 HydrophobicContact CD1-CG2 3.58Å; F74-V77 HydrophobicContact CE1-CB 4.46Å; F74-V77 HydrophobicContact CE1-CG1 4.19Å; F74-V77 HydrophobicContact CE1-CG2 4.43Å; F74-V77 HydrophobicContact CG-CB 4.43Å; F74-V77 HydrophobicContact CG-CG2 3.97Å; F74-I95 HydrophobicContact CB-CG2 4.31Å; F74-I95 HydrophobicContact CD1-CG2 4.25Å; F74-D96 WeakPolarHBondContact O-CA 3.42Å; F74-L97 HydrophobicContact CB-CD2 4.24Å; F74-L97 HydrophobicContact CB-CG 3.82Å; F74-L97 HydrophobicContact CD1-CD2 4.15Å; F74-L97 HydrophobicContact CD2-CD1 3.8Å; F74-L97 HydrophobicContact CD2-CD2 3.91Å; F74-L97 HydrophobicContact CD2-CG 3.67Å; F74-L97 HydrophobicContact CE2-CD1 4.35Å; F74-L97 HydrophobicContact CE2-CD2 4.39Å; F74-L97 HydrophobicContact CE2-CG 4.48Å; F74-L97 HydrophobicContact CG-CD1 4.4Å; F74-L97 HydrophobicContact CG-CD2 3.82Å; F74-L97 HydrophobicContact CG-CG 3.75Å; F74-L97 PolarHBondContact N-O 3.22Å; F74-L97 PolarHBondContact O-N 3.05Å; F74-L97 VanDerWaalsContact O-N 3.16Å; F74-L118 HydrophobicContact CD1-CD1 3.64Å; F74-L118 HydrophobicContact CE1-CD1 3.34Å; F74-L118 HydrophobicContact CE1-CG 4.23Å; F74-L118 HydrophobicContact CZ-CD1 4.06Å; F74-H121 HydrophobicContact CE1-CB 3.69Å; F74-H121 HydrophobicContact CZ-CB 3.79Å; F74-L122 HydrophobicContact CE2-CD2 3.5Å; F74-L122 HydrophobicContact CE2-CG 4.38Å; F74-L122 HydrophobicContact CZ-CD2 3.83Å; F74-L122 HydrophobicContact CZ-CG 4.22Å
75E81Confident71.2Confident121 Ų12180 Ų8057%0.56542%0.422SS*.EExtended strand (participates in β ladder)trans-121.5105174.9-62-173174.500108.1R73 V77 D96R73-E75 VanDerWaalsContact CD-OE1 3.29Å; R73-E75 WeakPolarHBondContact CD-OE1 3.47Å; R73-E75 HydrophobicContact CG-CG 4.01Å; R73-E75 IonicContact CZ-OE1 3Å; R73-E75 IonicContact NE-OE1 3.65Å; R73-E75 PolarHBondContact NE-OE1 3.4Å; R73-E75 VanDerWaalsContact NE-OE1 3.14Å; R73-E75 IonicContact NH1-OE1 3.57Å; R73-E75 PolarHBondContact NH1-OE1 2.9Å; R73-E75 IonicContact NH2-OE1 3.82Å; E75-V77 VanDerWaalsContact C-N 3.28Å; E75-V77 PolarHBondContact O-N 2.94Å; E75-D96 WeakPolarHBondContact CA-OD1 3.28Å
76K83.8Confident73.9Confident149 Ų14980.7 Ų80.765%0.64843%0.433SS*.EExtended strand (participates in β ladder)trans5143-179.8-56.9-178.3179.3179.10114S78 D94 I95 D96K76-S78 PolarHBondContact O-N 2.88Å; K76-D94 HydrophobicContact CB-CB 4.42Å; K76-I95 PolarHBondContact N-O 3.17Å; K76-D96 PolarHBondContact N-OD1 2.87Å
77V80.6Confident76.6Confident18 Ų1884.4 Ų84.411%0.10945%0.446CS..EExtended strand (participates in β ladder)trans-73.8120.6-178.2174.80000110.3F74 E75 D94 I95F74-V77 HydrophobicContact CB-CB 4.29Å; F74-V77 HydrophobicContact CB-CG2 3.74Å; F74-V77 HydrophobicContact CD1-CB 3.67Å; F74-V77 HydrophobicContact CD1-CG1 3.89Å; F74-V77 HydrophobicContact CD1-CG2 3.58Å; F74-V77 HydrophobicContact CE1-CB 4.46Å; F74-V77 HydrophobicContact CE1-CG1 4.19Å; F74-V77 HydrophobicContact CE1-CG2 4.43Å; F74-V77 HydrophobicContact CG-CB 4.43Å; F74-V77 HydrophobicContact CG-CG2 3.97Å; E75-V77 VanDerWaalsContact C-N 3.28Å; E75-V77 PolarHBondContact O-N 2.94Å; V77-D94 PolarHBondContact O-N 2.68Å; V77-I95 HydrophobicContact CB-CB 4.41Å; V77-I95 PolarHBondContact N-O 2.8Å; V77-I95 WeakPolarHBondContact O-CB 3.15Å; V77-I95 PolarHBondContact O-N 2.83Å
78S85Confident79.4Confident23 Ų2385.3 Ų85.316%0.16143%0.427CS..EExtended strand (participates in β ladder)trans-118.2141.9174.8-84.90000110.5K76 R90 L92 D94 T129K76-S78 PolarHBondContact O-N 2.88Å; S78-R90 PolarHBondContact OG-NH2 2.86Å; S78-L92 WeakPolarHBondContact CA-O 3.3Å; S78-D94 PolarHBondContact OG-N 3.35Å; S78-D94 PolarHBondContact OG-OD1 3.26Å; S78-T129 PolarHBondContact O-OG1 3.23Å; S78-T129 VanDerWaalsContact O-OG1 3.06Å
79Y86.7Confident82.1Confident34 Ų3485 Ų8513%0.13342%0.422CS..EExtended strand (participates in β ladder)trans-140.4134180-172.3-96.7000112.7Y81 A91 L92 T117 H121 L126Y79-Y81 HydrophobicContact CD1-CD2 4.05Å; Y79-Y81 AromaticContact CD1-CE2 3.95Å; Y79-Y81 HydrophobicContact CD1-CE2 3.95Å; Y79-Y81 HydrophobicContact CD1-CG 4.42Å; Y79-Y81 AromaticContact CE1-CD1 3.62Å; Y79-Y81 HydrophobicContact CE1-CD1 3.62Å; Y79-Y81 AromaticContact CE1-CD2 3.7Å; Y79-Y81 HydrophobicContact CE1-CD2 3.7Å; Y79-Y81 AromaticContact CE1-CE1 3.6Å; Y79-Y81 HydrophobicContact CE1-CE1 3.6Å; Y79-Y81 AromaticContact CE1-CE2 3.69Å; Y79-Y81 HydrophobicContact CE1-CE2 3.69Å; Y79-Y81 AromaticContact CE1-CG 3.66Å; Y79-Y81 HydrophobicContact CE1-CG 3.66Å; Y79-Y81 AromaticContact CE1-CZ 3.64Å; Y79-A91 HydrophobicContact CD1-CB 4.47Å; Y79-A91 PolarHBondContact O-N 3.33Å; Y79-L92 PolarHBondContact N-O 2.97Å; Y79-L92 VanDerWaalsContact N-O 3.14Å; Y79-L92 PolarHBondContact O-N 3.21Å; Y79-T117 HydrophobicContact CD1-CG2 3.56Å; Y79-T117 HydrophobicContact CE1-CG2 4.24Å; Y79-T117 HydrophobicContact CG-CG2 4.13Å; Y79-H121 AromaticContact CD2-CE1 3.48Å; Y79-H121 VanDerWaalsContact CD2-CE1 3.48Å; Y79-H121 WeakPolarHBondContact CD2-CE1 3.39Å; Y79-H121 AromaticContact CD2-NE2 3.31Å; Y79-H121 VanDerWaalsContact CD2-NE2 3.31Å; Y79-H121 WeakPolarHBondContact CD2-NE2 3.4Å; Y79-H121 AromaticContact CG-CE1 3.45Å; Y79-H121 VanDerWaalsContact CG-CE1 3.45Å; Y79-H121 AromaticContact CG-NE2 3.67Å; Y79-L126 HydrophobicContact CD1-CD1 4.25Å; Y79-L126 HydrophobicContact CE1-CD1 3.75Å; Y79-L126 HydrophobicContact CE2-CB 4.24Å; Y79-L126 HydrophobicContact CE2-CD1 4.22Å; Y79-L126 HydrophobicContact CE2-CD2 4.37Å; Y79-L126 WeakPolarHBondContact OH-CD2 3.29Å
80V88.4Confident84.3Confident25 Ų2585.2 Ų85.215%0.15241%0.413CS..EExtended strand (participates in β ladder)trans-124.3120.8179-177.10000108.9P83 E88 R90V80-P83 HydrophobicContact CG1-CB 4.22Å; V80-E88 HydrophobicContact CG1-CG 3.28Å; V80-R90 HydrophobicContact CG2-CB 4Å; V80-R90 HydrophobicContact CG2-CG 3.82Å
81Y86.4Confident85.9Confident65 Ų6582.2 Ų82.226%0.25540%0.4SS..EExtended strand (participates in β ladder)trans-73.5137168.8-74.5-80.8000109.8Y79 E88 Q89 A91 T117 L126Y79-Y81 HydrophobicContact CD1-CD2 4.05Å; Y79-Y81 AromaticContact CD1-CE2 3.95Å; Y79-Y81 HydrophobicContact CD1-CE2 3.95Å; Y79-Y81 HydrophobicContact CD1-CG 4.42Å; Y79-Y81 AromaticContact CE1-CD1 3.62Å; Y79-Y81 HydrophobicContact CE1-CD1 3.62Å; Y79-Y81 AromaticContact CE1-CD2 3.7Å; Y79-Y81 HydrophobicContact CE1-CD2 3.7Å; Y79-Y81 AromaticContact CE1-CE1 3.6Å; Y79-Y81 HydrophobicContact CE1-CE1 3.6Å; Y79-Y81 AromaticContact CE1-CE2 3.69Å; Y79-Y81 HydrophobicContact CE1-CE2 3.69Å; Y79-Y81 AromaticContact CE1-CG 3.66Å; Y79-Y81 HydrophobicContact CE1-CG 3.66Å; Y79-Y81 AromaticContact CE1-CZ 3.64Å; Y81-E88 WeakPolarHBondContact O-CA 3.39Å; Y81-Q89 PolarHBondContact N-O 3.14Å; Y81-Q89 PolarHBondContact O-N 3.28Å; Y81-A91 HydrophobicContact CD2-CB 3.72Å; Y81-A91 HydrophobicContact CE2-CB 3.56Å; Y81-T117 HydrophobicContact CE2-CG2 3.87Å; Y81-T117 WeakPolarHBondContact CE2-OG1 3.32Å; Y81-T117 PolarHBondContact OH-OG1 2.89Å; Y81-L126 HydrophobicContact CE1-CD1 4.13Å; Y81-L126 WeakPolarHBondContact OH-CD1 3.45Å
82Q87.6Confident86.8Confident109 Ų10979.2 Ų79.251%0.50938%0.384SS..SBendtrans5054.9175.2-52.3-177.942.800113.7T85Q82-T85 HydrophobicContact CB-CG2 4.2Å; Q82-T85 VanDerWaalsContact CB-OG1 3.32Å; Q82-T85 WeakPolarHBondContact CB-OG1 3.12Å; Q82-T85 WeakPolarHBondContact O-CB 3.32Å; Q82-T85 WeakPolarHBondContact O-CG2 3.49Å; Q82-T85 PolarHBondContact O-N 3.4Å; Q82-T85 PolarHBondContact O-OG1 2.8Å
83P87Confident87.5Confident64 Ų6481.3 Ų81.342%0.41639%0.391SS..THydrogen-bonded Turntrans-61.1144-177.528.4-35.5000111V80 T85 E88V80-P83 HydrophobicContact CG1-CB 4.22Å; P83-T85 VanDerWaalsContact C-N 3.3Å; P83-E88 WeakPolarHBondContact CA-OE2 3.35Å
84N89.4Confident87.8Confident155 Ų15577.6 Ų77.683%0.82938%0.384SS*.THydrogen-bonded Turntrans64.728.8-176.9-45.2-76.9000114.2E88N84-E88 PolarHBondContact N-OE2 2.9Å
85T92.2Very high88.1Confident52 Ų5277 Ų7732%0.31938%0.381SS..SBendtrans-124.9160.8173.5780000111.1Q82 P83 F87 E88Q82-T85 HydrophobicContact CB-CG2 4.2Å; Q82-T85 VanDerWaalsContact CB-OG1 3.32Å; Q82-T85 WeakPolarHBondContact CB-OG1 3.12Å; Q82-T85 WeakPolarHBondContact O-CB 3.32Å; Q82-T85 WeakPolarHBondContact O-CG2 3.49Å; Q82-T85 PolarHBondContact O-N 3.4Å; Q82-T85 PolarHBondContact O-OG1 2.8Å; P83-T85 VanDerWaalsContact C-N 3.3Å; T85-F87 PolarHBondContact O-N 3.08Å; T85-F87 VanDerWaalsContact O-N 3.08Å; T85-F87 PolarHBondContact OG1-N 3.31Å; T85-E88 VanDerWaalsContact O-CB 3.31Å; T85-E88 WeakPolarHBondContact O-CB 3.27Å; T85-E88 PolarHBondContact O-N 2.79Å; T85-E88 VanDerWaalsContact O-N 3.08Å; T85-E88 PolarHBondContact OG1-N 2.74Å
86P91.3Very high88.2Confident129 Ų12975.4 Ų75.484%0.83838%0.376SS*.THydrogen-bonded Turntrans-60.7-14.4172.5-23.734.9000114.6
87F91.2Very high88.4Confident155 Ų15568.7 Ų68.768%0.6835%0.348SS*.THydrogen-bonded Turntrans-103.318178.9-52.1-69.6000112.1T85 Q89T85-F87 PolarHBondContact O-N 3.08Å; T85-F87 VanDerWaalsContact O-N 3.08Å; T85-F87 PolarHBondContact OG1-N 3.31Å; F87-Q89 PolarHBondContact O-N 3.06Å
88E91.6Very high88.7Confident105 Ų10570 Ų7049%0.49135%0.354SS..  trans-56.4121.6176.9-174.1173.8117.800110.5V80 Y81 P83 N84 T85V80-E88 HydrophobicContact CG1-CG 3.28Å; Y81-E88 WeakPolarHBondContact O-CA 3.39Å; P83-E88 WeakPolarHBondContact CA-OE2 3.35Å; N84-E88 PolarHBondContact N-OE2 2.9Å; T85-E88 VanDerWaalsContact O-CB 3.31Å; T85-E88 WeakPolarHBondContact O-CB 3.27Å; T85-E88 PolarHBondContact O-N 2.79Å; T85-E88 VanDerWaalsContact O-N 3.08Å; T85-E88 PolarHBondContact OG1-N 2.74Å
89Q90.5Very high88.8Confident131 Ų13169 Ų6961%0.61235%0.347SS*.EExtended strand (participates in β ladder)trans-132.6111.3178.1-174.8-179.42.300109.7Y81 F87 A91Y81-Q89 PolarHBondContact N-O 3.14Å; Y81-Q89 PolarHBondContact O-N 3.28Å; F87-Q89 PolarHBondContact O-N 3.06Å; Q89-A91 PolarHBondContact O-N 3.26Å
90R90.5Very high89Confident96 Ų9673.7 Ų73.736%0.36237%0.368SS..EExtended strand (participates in β ladder)trans-76.5120.1172.8-171.1162.7-178.4-172.52.4110.1S78 V80 L92 Y93 D94S78-R90 PolarHBondContact OG-NH2 2.86Å; V80-R90 HydrophobicContact CG2-CB 4Å; V80-R90 HydrophobicContact CG2-CG 3.82Å; R90-L92 PolarHBondContact NE-O 3.24Å; R90-Y93 HydrophobicContact CB-CE1 4.12Å; R90-Y93 HydrophobicContact CB-CE2 4.35Å; R90-Y93 WeakPolarHBondContact CB-OH 3.39Å; R90-Y93 HydrophobicContact CG-CD1 4.02Å; R90-Y93 HydrophobicContact CG-CD2 4.33Å; R90-Y93 HydrophobicContact CG-CE1 3.59Å; R90-Y93 HydrophobicContact CG-CE2 3.91Å; R90-Y93 HydrophobicContact CG-CG 4.35Å; R90-Y93 PolarHBondContact O-OH 2.81Å; R90-D94 IonicContact NH2-OD1 2.73Å
91A90.9Very high88.9Confident14 Ų1476.5 Ų76.512%0.11638%0.38CS..EExtended strand (participates in β ladder)trans-106.2-29.1-17400000113.1Y79 Y81 Q89 T117 G277Y79-A91 HydrophobicContact CD1-CB 4.47Å; Y79-A91 PolarHBondContact O-N 3.33Å; Y81-A91 HydrophobicContact CD2-CB 3.72Å; Y81-A91 HydrophobicContact CE2-CB 3.56Å; Q89-A91 PolarHBondContact O-N 3.26Å; A91-T117 HydrophobicContact CB-CG2 3.93Å; A91-G277 WeakPolarHBondContact O-CA 3.22Å
92L90Very high89.1Confident0 Ų074.4 Ų74.40%038%0.377CS..EExtended strand (participates in β ladder)trans-129.6143176.5-59177.5000110.7S78 Y79 R90 I95 T117 L118 L274S78-L92 WeakPolarHBondContact CA-O 3.3Å; Y79-L92 PolarHBondContact N-O 2.97Å; Y79-L92 VanDerWaalsContact N-O 3.14Å; Y79-L92 PolarHBondContact O-N 3.21Å; R90-L92 PolarHBondContact NE-O 3.24Å; L92-I95 HydrophobicContact CB-CG1 4.02Å; L92-I95 HydrophobicContact CD2-CD1 4.47Å; L92-I95 HydrophobicContact CD2-CG1 4.13Å; L92-I95 HydrophobicContact CG-CG1 4.47Å; L92-T117 HydrophobicContact CD1-CG2 3.86Å; L92-T117 HydrophobicContact CG-CG2 3.88Å; L92-L118 HydrophobicContact CD1-CB 4.39Å; L92-L118 HydrophobicContact CD1-CD1 3.98Å; L92-L118 HydrophobicContact CD2-CB 4.38Å; L92-L274 HydrophobicContact CD2-CD2 4.48Å
93Y91.8Very high89.5Confident77 Ų7769.9 Ų69.930%0.30236%0.358SS..EExtended strand (participates in β ladder)trans-133.6100.5-175.1-61-102.9000110.2R90 I95 G277 H278R90-Y93 HydrophobicContact CB-CE1 4.12Å; R90-Y93 HydrophobicContact CB-CE2 4.35Å; R90-Y93 WeakPolarHBondContact CB-OH 3.39Å; R90-Y93 HydrophobicContact CG-CD1 4.02Å; R90-Y93 HydrophobicContact CG-CD2 4.33Å; R90-Y93 HydrophobicContact CG-CE1 3.59Å; R90-Y93 HydrophobicContact CG-CE2 3.91Å; R90-Y93 HydrophobicContact CG-CG 4.35Å; R90-Y93 PolarHBondContact O-OH 2.81Å; Y93-I95 VanDerWaalsContact C-N 3.28Å; Y93-I95 PolarHBondContact O-N 3.21Å; Y93-G277 PolarHBondContact N-O 3.32Å; Y93-H278 WeakPolarHBondContact CB-CE1 3.35Å; Y93-H278 WeakPolarHBondContact CB-ND1 3.48Å; Y93-H278 WeakPolarHBondContact CB-NE2 3.45Å; Y93-H278 AromaticContact CD2-NE2 3.96Å; Y93-H278 AromaticContact CG-CE1 3.76Å; Y93-H278 AromaticContact CG-NE2 3.63Å; Y93-H278 PolarHBondContact O-ND1 3.07Å
94D87.8Confident90Very high94 Ų9466.9 Ų66.950%0.50334%0.338SS..EExtended strand (participates in β ladder)trans47.750.6172.5-54.7-30.7000112.3K76 V77 S78 R90 D96K76-D94 HydrophobicContact CB-CB 4.42Å; V77-D94 PolarHBondContact O-N 2.68Å; S78-D94 PolarHBondContact OG-N 3.35Å; S78-D94 PolarHBondContact OG-OD1 3.26Å; R90-D94 IonicContact NH2-OD1 2.73Å; D94-D96 PolarHBondContact O-N 2.95Å
95I85.6Confident90.4Very high2 Ų259.6 Ų59.61%0.0130%0.299CS..EExtended strand (participates in β ladder)trans-68.7118.2-178.9-63.4-68.3000109.7F74 K76 V77 L92 Y93 L97 L118 G277 V279F74-I95 HydrophobicContact CB-CG2 4.31Å; F74-I95 HydrophobicContact CD1-CG2 4.25Å; K76-I95 PolarHBondContact N-O 3.17Å; V77-I95 HydrophobicContact CB-CB 4.41Å; V77-I95 PolarHBondContact N-O 2.8Å; V77-I95 WeakPolarHBondContact O-CB 3.15Å; V77-I95 PolarHBondContact O-N 2.83Å; L92-I95 HydrophobicContact CB-CG1 4.02Å; L92-I95 HydrophobicContact CD2-CD1 4.47Å; L92-I95 HydrophobicContact CD2-CG1 4.13Å; L92-I95 HydrophobicContact CG-CG1 4.47Å; Y93-I95 VanDerWaalsContact C-N 3.28Å; Y93-I95 PolarHBondContact O-N 3.21Å; I95-L97 HydrophobicContact CG2-CB 4.46Å; I95-L97 HydrophobicContact CG2-CD2 3.69Å; I95-L97 HydrophobicContact CG2-CG 4.37Å; I95-L118 HydrophobicContact CG2-CD1 3.89Å; I95-G277 VanDerWaalsContact CD1-O 3.27Å; I95-G277 WeakPolarHBondContact CD1-O 3.37Å; I95-V279 HydrophobicContact CD1-CG2 3.99Å; I95-V279 HydrophobicContact CG2-CG2 4.18Å
96D84.6Confident90.6Very high86 Ų8657.1 Ų57.146%0.4628%0.284SS..EExtended strand (participates in β ladder)trans-105.2120.9164.7-69.1-58000108.7F74 E75 K76 D94F74-D96 WeakPolarHBondContact O-CA 3.42Å; E75-D96 WeakPolarHBondContact CA-OD1 3.28Å; K76-D96 PolarHBondContact N-OD1 2.87Å; D94-D96 PolarHBondContact O-N 2.95Å
97L87.5Confident90.8Very high9 Ų951 Ų515%0.04724%0.244CC..EExtended strand (participates in β ladder)trans-151.6153174.279.490.5000110.7R73 F74 I95 I99 L118 Y272R73-L97 CarbonylContact C-O 3.48Å; R73-L97 WeakPolarHBondContact CA-O 3.35Å; F74-L97 HydrophobicContact CB-CD2 4.24Å; F74-L97 HydrophobicContact CB-CG 3.82Å; F74-L97 HydrophobicContact CD1-CD2 4.15Å; F74-L97 HydrophobicContact CD2-CD1 3.8Å; F74-L97 HydrophobicContact CD2-CD2 3.91Å; F74-L97 HydrophobicContact CD2-CG 3.67Å; F74-L97 HydrophobicContact CE2-CD1 4.35Å; F74-L97 HydrophobicContact CE2-CD2 4.39Å; F74-L97 HydrophobicContact CE2-CG 4.48Å; F74-L97 HydrophobicContact CG-CD1 4.4Å; F74-L97 HydrophobicContact CG-CD2 3.82Å; F74-L97 HydrophobicContact CG-CG 3.75Å; F74-L97 PolarHBondContact N-O 3.22Å; F74-L97 PolarHBondContact O-N 3.05Å; F74-L97 VanDerWaalsContact O-N 3.16Å; I95-L97 HydrophobicContact CG2-CB 4.46Å; I95-L97 HydrophobicContact CG2-CD2 3.69Å; I95-L97 HydrophobicContact CG2-CG 4.37Å; L97-I99 HydrophobicContact CD1-CD1 3.92Å; L97-I99 HydrophobicContact CD1-CG1 3.43Å; L97-I99 VanDerWaalsContact CD1-CG1 3.43Å; L97-L118 HydrophobicContact CD2-CD1 3.83Å; L97-L118 HydrophobicContact CD2-CD2 3.6Å; L97-L118 HydrophobicContact CD2-CG 4.12Å; L97-Y272 HydrophobicContact CB-CD1 4.17Å; L97-Y272 HydrophobicContact CB-CE1 3.66Å; L97-Y272 HydrophobicContact CB-CE2 4.31Å
98N87.3Confident91Very high46 Ų4643.7 Ų43.725%0.24621%0.212CC..EExtended strand (participates in β ladder)trans-129.6126.1170.8-170.626.4000110.5D71 I72 Y272D71-N98 WeakPolarHBondContact CB-OD1 3.11Å; D71-N98 PolarHBondContact OD2-ND2 2.71Å; I72-N98 CarbonylContact O-C 3.58Å; I72-N98 WeakPolarHBondContact O-CA 3.46Å; I72-N98 PolarHBondContact O-OD1 2.76Å; N98-Y272 PolarHBondContact N-OH 3.46Å; N98-Y272 PolarHBondContact O-OH 3.23Å
99I87.5Confident91Very high2 Ų238.8 Ų38.81%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-108112.2171.4-48.9-176.3000106.3D71 I72 L97 L122 T253 V255D71-I99 CarbonylContact C-O 3.55Å; D71-I99 WeakPolarHBondContact CA-O 3.2Å; I72-I99 HydrophobicContact CB-CB 4.12Å; I72-I99 HydrophobicContact CB-CG1 4.46Å; I72-I99 PolarHBondContact N-O 2.93Å; I72-I99 PolarHBondContact O-N 2.84Å; L97-I99 HydrophobicContact CD1-CD1 3.92Å; L97-I99 HydrophobicContact CD1-CG1 3.43Å; L97-I99 VanDerWaalsContact CD1-CG1 3.43Å; I99-L122 HydrophobicContact CD1-CD1 4.33Å; I99-L122 HydrophobicContact CD1-CD2 3.79Å; I99-T253 HydrophobicContact CG2-CG2 3.75Å; I99-V255 HydrophobicContact CD1-CG1 4.08Å; I99-V255 HydrophobicContact CD1-CG2 3.58Å; I99-V255 HydrophobicContact CG2-CG2 3.95Å
100K89.4Confident90.8Very high132 Ų13235.2 Ų35.257%0.57417%0.173SC*.  trans-74.5146.4-177.5-65.8-178.6178.2179.30111.1D71 G102 S103 T253D71-K100 VanDerWaalsContact OD1-CA 3.24Å; D71-K100 WeakPolarHBondContact OD1-CA 3.4Å; K100-G102 PolarHBondContact O-N 3.37Å; K100-S103 PolarHBondContact N-OG 3.02Å; K100-S103 VanDerWaalsContact O-CB 3.26Å; K100-S103 WeakPolarHBondContact O-CB 3.35Å; K100-S103 PolarHBondContact O-N 2.8Å; K100-S103 VanDerWaalsContact O-N 3.14Å; K100-S103 PolarHBondContact O-OG 3.13Å; K100-T253 WeakPolarHBondContact O-CG2 3.32Å
101E87.1Confident90.6Very high84 Ų8437.2 Ų37.239%0.39320%0.196SC..THydrogen-bonded Turntrans-55.7138.7169.5-170.8-177.1146.900110.5V69 M70 D71 S103V69-E101 WeakPolarHBondContact CA-OE2 3.34Å; V69-E101 HydrophobicContact CG1-CB 3.59Å; M70-E101 PolarHBondContact N-OE2 3.31Å; D71-E101 PolarHBondContact OD1-N 3.48Å; E101-S103 PolarHBondContact O-N 3.49Å
102G91.5Very high90.4Very high20 Ų2039.9 Ų39.921%0.20623%0.226CC..THydrogen-bonded Turntrans64.321.6179.400000112.9K100 H247 T253K100-G102 PolarHBondContact O-N 3.37Å; G102-H247 PolarHBondContact O-CE1 2.82Å; G102-H247 VanDerWaalsContact O-CE1 3.24Å; G102-T253 PolarHBondContact N-OG1 3.46Å
103S94.9Very high90.4Very high15 Ų1539.9 Ų39.911%0.10523%0.226CC..  trans-94.5153.6171.769.30000112K100 E101 T105 I254K100-S103 PolarHBondContact N-OG 3.02Å; K100-S103 VanDerWaalsContact O-CB 3.26Å; K100-S103 WeakPolarHBondContact O-CB 3.35Å; K100-S103 PolarHBondContact O-N 2.8Å; K100-S103 VanDerWaalsContact O-N 3.14Å; K100-S103 PolarHBondContact O-OG 3.13Å; E101-S103 PolarHBondContact O-N 3.49Å; S103-T105 PolarHBondContact OG-OG1 3.12Å; S103-T105 VanDerWaalsContact OG-OG1 3.07Å; S103-I254 PolarHBondContact O-N 2.87Å
104Y97.5Very high90.3Very high0 Ų036.5 Ų36.50%021%0.214CC..EExtended strand (participates in β ladder)trans-101.693.6163-155.2-58.3000109.1M240 H247 I254 L256 F267 A268 D269 Y270Y104-M240 VanDerWaalsContact OH-CE 3.22Å; Y104-M240 WeakPolarHBondContact OH-CE 3.29Å; Y104-H247 HydrophobicContact CD2-CB 4.34Å; Y104-I254 HydrophobicContact CD1-CB 4.14Å; Y104-I254 HydrophobicContact CD1-CG2 3.97Å; Y104-I254 HydrophobicContact CD2-CB 3.79Å; Y104-I254 HydrophobicContact CD2-CG1 3.87Å; Y104-I254 HydrophobicContact CD2-CG2 4.13Å; Y104-I254 HydrophobicContact CE1-CB 4.24Å; Y104-I254 HydrophobicContact CE1-CG2 3.62Å; Y104-I254 HydrophobicContact CE2-CB 3.92Å; Y104-I254 HydrophobicContact CE2-CG1 3.87Å; Y104-I254 HydrophobicContact CE2-CG2 3.79Å; Y104-I254 HydrophobicContact CG-CB 3.91Å; Y104-I254 HydrophobicContact CG-CG1 4.48Å; Y104-I254 HydrophobicContact CG-CG2 4.22Å; Y104-L256 HydrophobicContact CE1-CB 3.78Å; Y104-L256 HydrophobicContact CE1-CD2 4.02Å; Y104-F267 WeakPolarHBondContact CB-O 3.18Å; Y104-F267 HydrophobicContact CE1-CB 4.05Å; Y104-F267 HydrophobicContact CE2-CB 4.16Å; Y104-F267 VanDerWaalsContact CG-O 3.22Å; Y104-A268 HydrophobicContact CD1-CB 4.21Å; Y104-A268 CarbonylContact O-C 3.48Å; Y104-A268 WeakPolarHBondContact O-CA 3.42Å; Y104-D269 WeakPolarHBondContact CB-OD2 3.41Å; Y104-D269 PolarHBondContact N-OD2 2.76Å; Y104-D269 PolarHBondContact O-N 3.45Å; Y104-Y270 PolarHBondContact O-N 3.36Å
105T97Very high90.4Very high2 Ų232.9 Ų32.91%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-99.7127.9-176.8-63.20000111.2S103 I254 V255 L256 Y270 Y272S103-T105 PolarHBondContact OG-OG1 3.12Å; S103-T105 VanDerWaalsContact OG-OG1 3.07Å; T105-I254 PolarHBondContact N-O 2.97Å; T105-V255 CarbonylContact O-C 3.55Å; T105-V255 VanDerWaalsContact O-CA 3.29Å; T105-V255 WeakPolarHBondContact O-CA 3.44Å; T105-L256 PolarHBondContact O-N 3.09Å; T105-Y270 CarbonylContact C-O 3.56Å; T105-Y270 WeakPolarHBondContact CA-O 3.35Å; T105-Y272 HydrophobicContact CG2-CD2 3.69Å; T105-Y272 HydrophobicContact CG2-CE2 3.92Å
106A97.5Very high90.4Very high0 Ų035.6 Ų35.60%021%0.213CC..EExtended strand (participates in β ladder)trans-98.6137.9172.900000112.4L256 V264 A268 Y270 V271 Y272A106-L256 CarbonylContact C-O 3.52Å; A106-L256 VanDerWaalsContact CA-O 3.23Å; A106-L256 WeakPolarHBondContact CA-O 3.28Å; A106-V264 HydrophobicContact CB-CB 4.39Å; A106-V264 HydrophobicContact CB-CG1 3.7Å; A106-V264 HydrophobicContact CB-CG2 3.96Å; A106-A268 HydrophobicContact CB-CB 3.78Å; A106-Y270 PolarHBondContact N-O 2.84Å; A106-V271 HydrophobicContact CB-CG1 4.49Å; A106-V271 HydrophobicContact CB-CG2 4.42Å; A106-V271 CarbonylContact O-C 3.45Å; A106-V271 WeakPolarHBondContact O-CA 3.39Å; A106-Y272 PolarHBondContact O-N 3.46Å
107L95.4Very high90.5Very high1 Ų132.1 Ų32.11%0.00520%0.195CC..EExtended strand (participates in β ladder)trans-111.7111.3168.6-67.8161.7000108.7L118 L119 V255 L256 V257 T258 Y272 L274L107-L118 HydrophobicContact CD1-CD2 3.94Å; L107-L118 HydrophobicContact CD2-CD2 3.72Å; L107-L118 HydrophobicContact CG-CD2 4.49Å; L107-L119 HydrophobicContact CD1-CD2 4.15Å; L107-V255 HydrophobicContact CD1-CG1 3.61Å; L107-V255 HydrophobicContact CG-CG1 4.3Å; L107-L256 PolarHBondContact N-O 3.13Å; L107-V257 HydrophobicContact CB-CG2 4.05Å; L107-V257 HydrophobicContact CD1-CG2 4.14Å; L107-V257 WeakPolarHBondContact O-CA 3.37Å; L107-T258 PolarHBondContact O-N 3.33Å; L107-Y272 WeakPolarHBondContact CA-O 3.45Å; L107-Y272 HydrophobicContact CD2-CD2 4.3Å; L107-Y272 HydrophobicContact CD2-CG 4.18Å; L107-L274 HydrophobicContact CB-CD1 4.31Å; L107-L274 HydrophobicContact CD2-CD1 3.59Å
108V95.3Very high90.4Very high1 Ų131.8 Ų31.81%0.00619%0.193CC..EExtended strand (participates in β ladder)trans-114.6162.3-178.8-56.30000110.9M261 V264 V271 Y272 V273 L274V108-M261 HydrophobicContact CB-CE 4.15Å; V108-M261 HydrophobicContact CG1-CE 4.26Å; V108-M261 HydrophobicContact CG1-SD 4.27Å; V108-V264 HydrophobicContact CG1-CG2 3.72Å; V108-V271 HydrophobicContact CG1-CG1 4.26Å; V108-V271 HydrophobicContact CG2-CG1 3.84Å; V108-Y272 PolarHBondContact N-O 3.32Å; V108-V273 HydrophobicContact CG2-CB 4.16Å; V108-V273 HydrophobicContact CG2-CG1 4.31Å; V108-V273 HydrophobicContact CG2-CG2 3.69Å; V108-L274 PolarHBondContact O-N 2.95Å
109G92.2Very high90.2Very high2 Ų229.7 Ų29.72%0.02118%0.182CC..  trans154.6159.4-176.400000111.6K115 L274G109-K115 PolarHBondContact O-NZ 3.39Å; G109-L274 VanDerWaalsContact CA-O 3.31Å; G109-L274 WeakPolarHBondContact CA-O 3.49Å
110H86.3Confident89.7Confident56 Ų5632.2 Ų32.226%0.25919%0.194SC..  trans-64.7166174.765.778.1000112.1G112 S113 K115H110-G112 PolarHBondContact O-N 3.5Å; H110-S113 VanDerWaalsContact O-CB 3.31Å; H110-S113 WeakPolarHBondContact O-CB 3.39Å; H110-S113 PolarHBondContact O-N 3.3Å; H110-S113 PolarHBondContact O-OG 3.12Å; H110-K115 PolarHBondContact O-NZ 2.97Å
111T86.2Confident89.2Confident138 Ų13826.8 Ų26.885%0.84717%0.17SC*.THydrogen-bonded Turntrans-59.6133.4173-56.20000110.5S113T111-S113 VanDerWaalsContact C-N 3.35Å
112G85.6Confident88.6Confident71 Ų7123.2 Ų23.273%0.73215%0.154SC*.THydrogen-bonded Turntrans79.88.6-176.900000115.3H110 G114H110-G112 PolarHBondContact O-N 3.5Å; G112-G114 PolarHBondContact O-N 2.9Å
113S90.5Very high87.5Confident0 Ų023 Ų230%015%0.148CC..SBendtrans-74.4-6.1175.768.80000114.7H110 T111 K115 L274 G277H110-S113 VanDerWaalsContact O-CB 3.31Å; H110-S113 WeakPolarHBondContact O-CB 3.39Å; H110-S113 PolarHBondContact O-N 3.3Å; H110-S113 PolarHBondContact O-OG 3.12Å; T111-S113 VanDerWaalsContact C-N 3.35Å; S113-K115 WeakPolarHBondContact OG-CG 3.44Å; S113-L274 VanDerWaalsContact CB-O 3.27Å; S113-L274 WeakPolarHBondContact CB-O 3.41Å; S113-L274 PolarHBondContact OG-O 3.49Å; S113-G277 VanDerWaalsContact O-CA 3.29Å; S113-G277 WeakPolarHBondContact O-CA 3.37Å; S113-G277 PolarHBondContact O-N 3.05Å
114G89.8Confident86.2Confident6 Ų622.9 Ų22.96%0.06215%0.148CC..SBendtrans107-1.2-179.800000115.3G112 S116 T117 L118G112-G114 PolarHBondContact O-N 2.9Å; G114-S116 PolarHBondContact O-N 3.34Å; G114-T117 WeakPolarHBondContact O-CB 3.14Å; G114-T117 PolarHBondContact O-N 3.32Å; G114-L118 WeakPolarHBondContact O-CB 3.44Å; G114-L118 PolarHBondContact O-N 3.46Å
115K90.6Very high84.2Confident18 Ų1826.6 Ų26.68%0.07817%0.167CC..Hα-helixtrans-51.6-57.1-178.1-58.1-174.3-53.2-74.90113.2G109 H110 S113 T117 L118 L119 V257 L274G109-K115 PolarHBondContact O-NZ 3.39Å; H110-K115 PolarHBondContact O-NZ 2.97Å; S113-K115 WeakPolarHBondContact OG-CG 3.44Å; K115-T117 VanDerWaalsContact C-N 3.3Å; K115-T117 PolarHBondContact O-N 3.31Å; K115-L118 WeakPolarHBondContact O-CB 3.36Å; K115-L118 PolarHBondContact O-N 2.93Å; K115-L118 VanDerWaalsContact O-N 3.09Å; K115-L119 WeakPolarHBondContact O-CG 3.49Å; K115-L119 PolarHBondContact O-N 2.86Å; K115-V257 HydrophobicContact CB-CG1 3.77Å; K115-V257 HydrophobicContact CD-CG1 3.77Å; K115-V257 HydrophobicContact CG-CG1 4.31Å; K115-L274 HydrophobicContact CG-CB 4.44Å; K115-L274 HydrophobicContact CG-CD1 4.44Å
116S83.9Confident82.2Confident59 Ų5927.7 Ų27.741%0.41317%0.173SC..Hα-helixtrans-64.5-34.6-179.1-470000112.4G114 L119 Q120G114-S116 PolarHBondContact O-N 3.34Å; S116-L119 PolarHBondContact O-N 2.85Å; S116-Q120 VanDerWaalsContact O-CG 3.31Å; S116-Q120 WeakPolarHBondContact O-CG 3.31Å; S116-Q120 PolarHBondContact O-N 3.35Å; S116-Q120 VanDerWaalsContact O-N 3.1Å
117T86.5Confident80.3Confident13 Ų1331 Ų318%0.0819%0.188CC..Hα-helixtrans-62.4-44.9172.6-54.30000110.7Y79 Y81 A91 L92 G114 K115 Q120 H121 L126Y79-T117 HydrophobicContact CD1-CG2 3.56Å; Y79-T117 HydrophobicContact CE1-CG2 4.24Å; Y79-T117 HydrophobicContact CG-CG2 4.13Å; Y81-T117 HydrophobicContact CE2-CG2 3.87Å; Y81-T117 WeakPolarHBondContact CE2-OG1 3.32Å; Y81-T117 PolarHBondContact OH-OG1 2.89Å; A91-T117 HydrophobicContact CB-CG2 3.93Å; L92-T117 HydrophobicContact CD1-CG2 3.86Å; L92-T117 HydrophobicContact CG-CG2 3.88Å; G114-T117 WeakPolarHBondContact O-CB 3.14Å; G114-T117 PolarHBondContact O-N 3.32Å; K115-T117 VanDerWaalsContact C-N 3.3Å; K115-T117 PolarHBondContact O-N 3.31Å; T117-Q120 PolarHBondContact O-N 3.44Å; T117-H121 PolarHBondContact O-N 3.3Å; T117-H121 PolarHBondContact O-ND1 3.34Å; T117-L126 HydrophobicContact CG2-CD1 3.99Å
118L85.6Confident78.4Confident1 Ų133.4 Ų33.41%0.00520%0.203CC..Hα-helixtrans-63.7-43177.4-169.773.8000111.7F74 L92 I95 L97 L107 G114 K115 Q120 H121 L122 L274F74-L118 HydrophobicContact CD1-CD1 3.64Å; F74-L118 HydrophobicContact CE1-CD1 3.34Å; F74-L118 HydrophobicContact CE1-CG 4.23Å; F74-L118 HydrophobicContact CZ-CD1 4.06Å; L92-L118 HydrophobicContact CD1-CB 4.39Å; L92-L118 HydrophobicContact CD1-CD1 3.98Å; L92-L118 HydrophobicContact CD2-CB 4.38Å; I95-L118 HydrophobicContact CG2-CD1 3.89Å; L97-L118 HydrophobicContact CD2-CD1 3.83Å; L97-L118 HydrophobicContact CD2-CD2 3.6Å; L97-L118 HydrophobicContact CD2-CG 4.12Å; L107-L118 HydrophobicContact CD1-CD2 3.94Å; L107-L118 HydrophobicContact CD2-CD2 3.72Å; L107-L118 HydrophobicContact CG-CD2 4.49Å; G114-L118 WeakPolarHBondContact O-CB 3.44Å; G114-L118 PolarHBondContact O-N 3.46Å; K115-L118 WeakPolarHBondContact O-CB 3.36Å; K115-L118 PolarHBondContact O-N 2.93Å; K115-L118 VanDerWaalsContact O-N 3.09Å; L118-Q120 VanDerWaalsContact C-N 3.28Å; L118-Q120 PolarHBondContact O-N 2.86Å; L118-H121 WeakPolarHBondContact O-CB 3.48Å; L118-H121 PolarHBondContact O-N 2.78Å; L118-L122 PolarHBondContact O-N 3.04Å; L118-L274 HydrophobicContact CD2-CD1 4.13Å; L118-L274 HydrophobicContact CD2-CD2 4.14Å
119L84Confident76.5Confident2 Ų237 Ų371%0.0123%0.225CC..Hα-helixtrans-56.6-42.9175.2-70.5-176.5000112.6L107 K115 S116 H121 L122 V223 D225 V255 V257L107-L119 HydrophobicContact CD1-CD2 4.15Å; K115-L119 WeakPolarHBondContact O-CG 3.49Å; K115-L119 PolarHBondContact O-N 2.86Å; S116-L119 PolarHBondContact O-N 2.85Å; L119-H121 PolarHBondContact O-N 3.09Å; L119-L122 HydrophobicContact CD2-CD1 3.95Å; L119-L122 WeakPolarHBondContact O-CB 3.48Å; L119-L122 PolarHBondContact O-N 3.18Å; L119-V223 HydrophobicContact CB-CG1 4.36Å; L119-V223 HydrophobicContact CD1-CG1 4.29Å; L119-V223 HydrophobicContact CD2-CG1 3.15Å; L119-V223 HydrophobicContact CG-CG1 4.12Å; L119-D225 HydrophobicContact CD1-CB 3.63Å; L119-D225 VanDerWaalsContact CD1-CG 3.5Å; L119-V255 HydrophobicContact CD2-CG1 4.4Å; L119-V257 HydrophobicContact CD1-CB 4.07Å; L119-V257 HydrophobicContact CD1-CG1 4.44Å; L119-V257 HydrophobicContact CD1-CG2 3.47Å; L119-V257 VanDerWaalsContact CD1-CG2 3.47Å; L119-V257 HydrophobicContact CD2-CB 4.49Å; L119-V257 HydrophobicContact CD2-CG2 3.15Å; L119-V257 HydrophobicContact CG-CG2 3.53Å
120Q77.2Confident74.4Confident55 Ų5544.6 Ų44.626%0.25727%0.265SS..Hα-helixtrans-65.7-22.7179.8-70.3172.9-7.900112.4S116 T117 L118 A124 L125 L126S116-Q120 VanDerWaalsContact O-CG 3.31Å; S116-Q120 WeakPolarHBondContact O-CG 3.31Å; S116-Q120 PolarHBondContact O-N 3.35Å; S116-Q120 VanDerWaalsContact O-N 3.1Å; T117-Q120 PolarHBondContact O-N 3.44Å; L118-Q120 VanDerWaalsContact C-N 3.28Å; L118-Q120 PolarHBondContact O-N 2.86Å; Q120-A124 PolarHBondContact O-N 2.88Å; Q120-L125 HydrophobicContact CB-CB 4.12Å; Q120-L125 HydrophobicContact CG-CB 4.46Å; Q120-L125 WeakPolarHBondContact O-CA 3.25Å; Q120-L125 WeakPolarHBondContact O-CB 3.44Å; Q120-L125 PolarHBondContact O-N 3.34Å; Q120-L126 HydrophobicContact CB-CB 4.06Å; Q120-L126 HydrophobicContact CB-CD1 3.86Å; Q120-L126 HydrophobicContact CB-CG 3.66Å; Q120-L126 PolarHBondContact O-N 3.28Å
121H78.6Confident72.7Confident18 Ų1845.3 Ų45.38%0.08327%0.271CS..Hα-helixtrans-74.9-32.5171.7-70.874.9000112.3F74 Y79 T117 L118 L119 N123 A124F74-H121 HydrophobicContact CE1-CB 3.69Å; F74-H121 HydrophobicContact CZ-CB 3.79Å; Y79-H121 AromaticContact CD2-CE1 3.48Å; Y79-H121 VanDerWaalsContact CD2-CE1 3.48Å; Y79-H121 WeakPolarHBondContact CD2-CE1 3.39Å; Y79-H121 AromaticContact CD2-NE2 3.31Å; Y79-H121 VanDerWaalsContact CD2-NE2 3.31Å; Y79-H121 WeakPolarHBondContact CD2-NE2 3.4Å; Y79-H121 AromaticContact CG-CE1 3.45Å; Y79-H121 VanDerWaalsContact CG-CE1 3.45Å; Y79-H121 AromaticContact CG-NE2 3.67Å; T117-H121 PolarHBondContact O-N 3.3Å; T117-H121 PolarHBondContact O-ND1 3.34Å; L118-H121 WeakPolarHBondContact O-CB 3.48Å; L118-H121 PolarHBondContact O-N 2.78Å; L119-H121 PolarHBondContact O-N 3.09Å; H121-N123 VanDerWaalsContact C-N 3.3Å; H121-N123 PolarHBondContact O-N 2.93Å; H121-A124 PolarHBondContact O-N 3.42Å
122L73.4Confident70.4Confident9 Ų945.1 Ų45.15%0.04727%0.265CS..Hα-helixtrans-59.6-40-179.7-67.5170.6000112.5I72 F74 I99 L118 L119 V142 V223 V255I72-L122 HydrophobicContact CD1-CD2 4.06Å; I72-L122 HydrophobicContact CG2-CD2 3.57Å; F74-L122 HydrophobicContact CE2-CD2 3.5Å; F74-L122 HydrophobicContact CE2-CG 4.38Å; F74-L122 HydrophobicContact CZ-CD2 3.83Å; F74-L122 HydrophobicContact CZ-CG 4.22Å; I99-L122 HydrophobicContact CD1-CD1 4.33Å; I99-L122 HydrophobicContact CD1-CD2 3.79Å; L118-L122 PolarHBondContact O-N 3.04Å; L119-L122 HydrophobicContact CD2-CD1 3.95Å; L119-L122 WeakPolarHBondContact O-CB 3.48Å; L119-L122 PolarHBondContact O-N 3.18Å; L122-V142 HydrophobicContact CB-CG1 4.4Å; L122-V223 HydrophobicContact CB-CG2 4.28Å; L122-V223 HydrophobicContact CD1-CG1 4.21Å; L122-V223 HydrophobicContact CD1-CG2 3.88Å; L122-V255 HydrophobicContact CD1-CB 4.37Å; L122-V255 HydrophobicContact CD1-CG1 3.91Å; L122-V255 HydrophobicContact CD1-CG2 4.36Å
123N69.8Low68.5Low16 Ų1644.9 Ų44.99%0.08624%0.244CC..THydrogen-bonded Turntrans-100.715.8176.3-159.3-0.5000113.2H121 L125 R139 V142 I144H121-N123 VanDerWaalsContact C-N 3.3Å; H121-N123 PolarHBondContact O-N 2.93Å; N123-L125 PolarHBondContact O-N 2.79Å; N123-R139 WeakPolarHBondContact OD1-CA 3.35Å; N123-R139 WeakPolarHBondContact OD1-CG 3.26Å; N123-V142 HydrophobicContact CB-CB 4.26Å; N123-V142 HydrophobicContact CB-CG1 3.96Å; N123-V142 PolarHBondContact ND2-O 2.83Å; N123-V142 PolarHBondContact OD1-O 3.27Å; N123-I144 HydrophobicContact CB-CD1 3.18Å; N123-I144 HydrophobicContact CB-CG1 3.69Å
124A66.3Low66.4Low13 Ų1349.9 Ų49.911%0.10727%0.271CS..THydrogen-bonded Turntrans5130.1-179.500000114.6Q120 H121 L126 L135 V138Q120-A124 PolarHBondContact O-N 2.88Å; H121-A124 PolarHBondContact O-N 3.42Å; A124-L126 VanDerWaalsContact C-N 3.28Å; A124-L135 HydrophobicContact CB-CD1 4.47Å; A124-L135 HydrophobicContact CB-CD2 3.37Å; A124-L135 HydrophobicContact CB-CG 4.29Å; A124-L135 VanDerWaalsContact O-CD1 3.23Å; A124-L135 WeakPolarHBondContact O-CD1 3.22Å; A124-V138 HydrophobicContact CB-CG1 4.39Å
125L57.4Low64.7Low77 Ų7751.2 Ų51.240%0.40328%0.276SS..SBendtrans-66.9-37.6167.1-69.9172.9000110.1Q120 N123 I144 F146Q120-L125 HydrophobicContact CB-CB 4.12Å; Q120-L125 HydrophobicContact CG-CB 4.46Å; Q120-L125 WeakPolarHBondContact O-CA 3.25Å; Q120-L125 WeakPolarHBondContact O-CB 3.44Å; Q120-L125 PolarHBondContact O-N 3.34Å; N123-L125 PolarHBondContact O-N 2.79Å; L125-I144 HydrophobicContact CD1-CD1 3.84Å; L125-F146 HydrophobicContact CD1-CE2 4.43Å; L125-F146 HydrophobicContact CD1-CZ 3.63Å
126L53.9Low62.9Low26 Ų2657.6 Ų57.614%0.13630%0.304CS..SBendtrans-105.6133.9161.9-66.6-175.8000108.9Y79 Y81 T117 Q120 A124Y79-L126 HydrophobicContact CD1-CD1 4.25Å; Y79-L126 HydrophobicContact CE1-CD1 3.75Å; Y79-L126 HydrophobicContact CE2-CB 4.24Å; Y79-L126 HydrophobicContact CE2-CD1 4.22Å; Y79-L126 HydrophobicContact CE2-CD2 4.37Å; Y79-L126 WeakPolarHBondContact OH-CD2 3.29Å; Y81-L126 HydrophobicContact CE1-CD1 4.13Å; Y81-L126 WeakPolarHBondContact OH-CD1 3.45Å; T117-L126 HydrophobicContact CG2-CD1 3.99Å; Q120-L126 HydrophobicContact CB-CB 4.06Å; Q120-L126 HydrophobicContact CB-CD1 3.86Å; Q120-L126 HydrophobicContact CB-CG 3.66Å; Q120-L126 PolarHBondContact O-N 3.28Å; A124-L126 VanDerWaalsContact C-N 3.28Å
127K56.8Low61.7Low70 Ų7057.7 Ų57.730%0.30430%0.303SS..  trans-88.3145.8169.4-67.1177.7173.2-175.10108.4D131 N132 K133 L135K127-D131 WeakPolarHBondContact CD-O 3.42Å; K127-N132 PolarHBondContact NZ-OD1 3.25Å; K127-K133 PolarHBondContact NZ-O 2.89Å; K127-L135 HydrophobicContact CG-CD2 4.48Å
128P57.3Low60.5Low51 Ų5158.9 Ų58.933%0.33131%0.31SS..  trans-51.2148.7161.7-19.630.6000109.2D130 D131P128-D130 PolarHBondContact O-N 2.9Å; P128-D131 HydrophobicContact CG-CB 4.42Å; P128-D131 PolarHBondContact O-N 3.05Å
129T53.8Low59.3Low77 Ų7763.6 Ų63.647%0.47233%0.328SS..THydrogen-bonded Turntrans-53.5-23.6-175.7-47.80000112.9S78S78-T129 PolarHBondContact O-OG1 3.23Å; S78-T129 VanDerWaalsContact O-OG1 3.06Å
130D48.6Very low58.4Low161 Ų16167.5 Ų67.586%0.86135%0.345SS*.THydrogen-bonded Turntrans-116.38.4-173.4-64.7-42.7000116.5P128P128-D130 PolarHBondContact O-N 2.9Å
131D50.7Low58.5Low70 Ų7067.6 Ų67.637%0.37434%0.344SS..  trans-124.5138.3-176.9-154.9-5.1000114.3K127 P128 K133K127-D131 WeakPolarHBondContact CD-O 3.42Å; P128-D131 HydrophobicContact CG-CB 4.42Å; P128-D131 PolarHBondContact O-N 3.05Å; D131-K133 WeakPolarHBondContact OD1-CE 3.39Å; D131-K133 WeakPolarHBondContact OD2-CD 3.4Å; D131-K133 WeakPolarHBondContact OD2-CE 3.33Å; D131-K133 IonicContact OD2-NZ 3.81Å; D131-K133 PolarHBondContact OD2-NZ 3.27Å
132N38.3Very low58.8Low135 Ų13567.2 Ų67.272%0.72234%0.343SS*.  trans-13569.9-169.6-146.16.8000112.6K127K127-N132 PolarHBondContact NZ-OD1 3.25Å
133K45.1Very low59.5Low66 Ų6666.8 Ų66.829%0.28734%0.341SS..  trans-107.8162.6-179.3-67.1164.5173.6-177.90113.3N60 G61 K127 D131 L135N60-K133 HydrophobicContact CB-CB 4.45Å; N60-K133 HydrophobicContact CB-CG 4.39Å; N60-K133 WeakPolarHBondContact O-CD 3.46Å; N60-K133 WeakPolarHBondContact O-CE 3.47Å; N60-K133 WeakPolarHBondContact O-CG 3.41Å; G61-K133 PolarHBondContact O-NZ 3.25Å; K127-K133 PolarHBondContact NZ-O 2.89Å; D131-K133 WeakPolarHBondContact OD1-CE 3.39Å; D131-K133 WeakPolarHBondContact OD2-CD 3.4Å; D131-K133 WeakPolarHBondContact OD2-CE 3.33Å; D131-K133 IonicContact OD2-NZ 3.81Å; D131-K133 PolarHBondContact OD2-NZ 3.27Å; K133-L135 WeakPolarHBondContact O-CD2 3.48Å
134N46.2Very low60.4Low105 Ų10566.6 Ų66.656%0.56134%0.34SS*.  trans-80.2118.5179-158.9-4.1000111.3N60N60-N134 PolarHBondContact OD1-N 2.93Å
135L55.7Low61.6Low34 Ų3466 Ų6618%0.17834%0.335CS..  trans-93.5-14.2-157.4-56.1173.2000115.6A124 K127 K133 P137 V138 R139A124-L135 HydrophobicContact CB-CD1 4.47Å; A124-L135 HydrophobicContact CB-CD2 3.37Å; A124-L135 HydrophobicContact CB-CG 4.29Å; A124-L135 VanDerWaalsContact O-CD1 3.23Å; A124-L135 WeakPolarHBondContact O-CD1 3.22Å; K127-L135 HydrophobicContact CG-CD2 4.48Å; K133-L135 WeakPolarHBondContact O-CD2 3.48Å; L135-P137 VanDerWaalsContact C-CD 3.5Å; L135-V138 PolarHBondContact O-N 2.8Å; L135-R139 PolarHBondContact O-N 2.78Å
136K51.5Low63Low151 Ų15165.2 Ų65.266%0.65733%0.328SS*.Hα-helixtrans-56.8-41.9-173.9-81.7-169.9174.6-169.70114.3V138 R139 K140K136-V138 PolarHBondContact O-N 3.16Å; K136-R139 PolarHBondContact O-N 3.14Å; K136-K140 PolarHBondContact O-N 3.06Å
137P58.6Low64.7Low61 Ų6168.1 Ų68.140%0.39634%0.341SS..Hα-helixtrans-66.4-36.4179.6-20.533000113L135 R139 K140 K141L135-P137 VanDerWaalsContact C-CD 3.5Å; P137-R139 VanDerWaalsContact C-N 3.29Å; P137-R139 PolarHBondContact O-N 2.9Å; P137-K140 PolarHBondContact O-N 3.2Å; P137-K141 PolarHBondContact O-N 3.02Å
138V61.9Low66.3Low39 Ų3969.3 Ų69.324%0.23635%0.346CS..Hα-helixtrans-62.9-40.6177.2-179.40000110.2L62 A124 L135 K136 K140 K141 V142L62-V138 HydrophobicContact CD2-CG2 4.44Å; A124-V138 HydrophobicContact CB-CG1 4.39Å; L135-V138 PolarHBondContact O-N 2.8Å; K136-V138 PolarHBondContact O-N 3.16Å; V138-K140 VanDerWaalsContact C-N 3.28Å; V138-K140 PolarHBondContact O-N 3.18Å; V138-K141 PolarHBondContact O-N 2.88Å; V138-V142 HydrophobicContact CG1-CG2 4.27Å; V138-V142 PolarHBondContact O-N 2.84Å
139R60.5Low67.9Low100 Ų10067 Ų6738%0.37733%0.332SS..Hα-helixtrans-64-25.9178.8-67.1176.9-177.1-172.60.1115.6N123 L135 K136 P137 F169N123-R139 WeakPolarHBondContact OD1-CA 3.35Å; N123-R139 WeakPolarHBondContact OD1-CG 3.26Å; L135-R139 PolarHBondContact O-N 2.78Å; K136-R139 PolarHBondContact O-N 3.14Å; P137-R139 VanDerWaalsContact C-N 3.29Å; P137-R139 PolarHBondContact O-N 2.9Å; R139-F169 HydrophobicContact CB-CZ 4.24Å
140K65Low69.6Low84 Ų8465.2 Ų65.237%0.36532%0.318SS..Hα-helixtrans-75.5-36.4173.1-168176.3177.1-1770111.1K136 P137 V138 F169 M217K136-K140 PolarHBondContact O-N 3.06Å; P137-K140 PolarHBondContact O-N 3.2Å; V138-K140 VanDerWaalsContact C-N 3.28Å; V138-K140 PolarHBondContact O-N 3.18Å; K140-F169 HydrophobicContact CB-CD1 4.17Å; K140-F169 HydrophobicContact CB-CE1 3.81Å; K140-F169 HydrophobicContact CB-CZ 4.12Å; K140-F169 HydrophobicContact CD-CD1 4.34Å; K140-F169 HydrophobicContact CG-CD1 4.41Å; K140-F169 HydrophobicContact CG-CE1 4.46Å; K140-M217 WeakPolarHBondContact CE-O 3.5Å
141K79.9Confident71.5Confident57 Ų5761.7 Ų61.725%0.24831%0.311CS..Hα-helixtrans-79.8-32.1-176.7-67.2-173.7160.8-152.60113.6M70 P137 V138 P219 E220 V221M70-K141 HydrophobicContact SD-CD 3.91Å; M70-K141 PolarHBondContact SD-NZ 2.91Å; P137-K141 PolarHBondContact O-N 3.02Å; V138-K141 PolarHBondContact O-N 2.88Å; K141-P219 CarbonylContact O-C 3.58Å; K141-P219 WeakPolarHBondContact O-CA 3.5Å; K141-E220 VanDerWaalsContact CD-OE2 3.27Å; K141-E220 WeakPolarHBondContact CD-OE2 3.39Å; K141-E220 WeakPolarHBondContact CE-OE1 3.49Å; K141-E220 WeakPolarHBondContact CE-OE2 3.45Å; K141-E220 WeakPolarHBondContact CG-OE2 3.37Å; K141-E220 IonicContact NZ-OE1 2.74Å; K141-E220 IonicContact NZ-OE2 3.11Å; K141-E220 PolarHBondContact O-N 3.03Å; K141-V221 PolarHBondContact O-N 2.9Å
142V84.5Confident73.2Confident9 Ų963.3 Ų63.36%0.05532%0.317CS..EExtended strand (participates in β ladder)trans-111.1105.1-178.3-1730000109.8L122 N123 V138 V221 V223L122-V142 HydrophobicContact CB-CG1 4.4Å; N123-V142 HydrophobicContact CB-CB 4.26Å; N123-V142 HydrophobicContact CB-CG1 3.96Å; N123-V142 PolarHBondContact ND2-O 2.83Å; N123-V142 PolarHBondContact OD1-O 3.27Å; V138-V142 HydrophobicContact CG1-CG2 4.27Å; V138-V142 PolarHBondContact O-N 2.84Å; V142-V221 CarbonylContact C-O 3.52Å; V142-V221 WeakPolarHBondContact CA-O 3.42Å; V142-V221 HydrophobicContact CG1-CB 4.46Å; V142-V221 HydrophobicContact CG1-CG1 4.4Å; V142-V221 HydrophobicContact CG2-CB 4.26Å; V142-V223 HydrophobicContact CG1-CG2 3.72Å
143G87.6Confident75.6Confident0 Ų057.3 Ų57.30%029%0.285CS..EExtended strand (participates in β ladder)trans-81.6134.6168.900000110.3V221 V223G143-V221 PolarHBondContact N-O 2.9Å; G143-V223 WeakPolarHBondContact O-CB 3.25Å; G143-V223 PolarHBondContact O-N 2.98Å
144I88.7Confident78Confident12 Ų1259 Ų596%0.06229%0.292CS..EExtended strand (participates in β ladder)trans-115.2127.5169.4-63.4175.8000108.7N123 L125 F146 V223N123-I144 HydrophobicContact CB-CD1 3.18Å; N123-I144 HydrophobicContact CB-CG1 3.69Å; L125-I144 HydrophobicContact CD1-CD1 3.84Å; I144-F146 HydrophobicContact CB-CE2 4.39Å; I144-F146 HydrophobicContact CB-CZ 4.48Å; I144-F146 HydrophobicContact CD1-CZ 4.42Å; I144-F146 HydrophobicContact CG2-CD1 4.01Å; I144-F146 HydrophobicContact CG2-CD2 4.02Å; I144-F146 HydrophobicContact CG2-CE1 3.86Å; I144-F146 HydrophobicContact CG2-CE2 3.88Å; I144-F146 HydrophobicContact CG2-CG 4.09Å; I144-F146 HydrophobicContact CG2-CZ 3.8Å; I144-V223 WeakPolarHBondContact CA-O 3.47Å; I144-V223 HydrophobicContact CB-CB 4.48Å; I144-V223 HydrophobicContact CG1-CB 3.95Å; I144-V223 HydrophobicContact CG1-CG1 4.3Å; I144-V223 HydrophobicContact CG1-CG2 4.33Å
145V91Very high80.4Confident1 Ų156.6 Ų56.61%0.00628%0.278CS..EExtended strand (participates in β ladder)trans-101.5106.5164.2-177.40000107.2P149 I211 V214 L222 V223 L224 D225V145-P149 HydrophobicContact CG1-CB 3.91Å; V145-P149 HydrophobicContact CG1-CG 3.79Å; V145-I211 HydrophobicContact CG1-CG1 3.89Å; V145-I211 HydrophobicContact CG2-CG1 4.23Å; V145-V214 HydrophobicContact CG2-CB 4.27Å; V145-V214 HydrophobicContact CG2-CG1 4.24Å; V145-V214 HydrophobicContact CG2-CG2 4.18Å; V145-L222 HydrophobicContact CG2-CD1 3.94Å; V145-V223 PolarHBondContact N-O 2.7Å; V145-L224 HydrophobicContact CB-CD2 3.84Å; V145-L224 HydrophobicContact CG2-CD2 3.79Å; V145-D225 PolarHBondContact O-N 3.22Å
146F87.8Confident82.3Confident61 Ų6161.4 Ų61.427%0.26830%0.299SS..  trans-72.2162.6175.5-71.2-73.9000111.3L125 I144 F148 P149L125-F146 HydrophobicContact CD1-CE2 4.43Å; L125-F146 HydrophobicContact CD1-CZ 3.63Å; I144-F146 HydrophobicContact CB-CE2 4.39Å; I144-F146 HydrophobicContact CB-CZ 4.48Å; I144-F146 HydrophobicContact CD1-CZ 4.42Å; I144-F146 HydrophobicContact CG2-CD1 4.01Å; I144-F146 HydrophobicContact CG2-CD2 4.02Å; I144-F146 HydrophobicContact CG2-CE1 3.86Å; I144-F146 HydrophobicContact CG2-CE2 3.88Å; I144-F146 HydrophobicContact CG2-CG 4.09Å; I144-F146 HydrophobicContact CG2-CZ 3.8Å; F146-F148 PolarHBondContact O-N 2.9Å; F146-P149 WeakPolarHBondContact O-CD 3.09Å
147Q89.2Confident84.5Confident87 Ų8755.2 Ų55.241%0.40727%0.274SS..SBendtrans-59.9136.7170.4-163-175.911.800110.4D225 E226 A229Q147-D225 VanDerWaalsContact CA-O 3.24Å; Q147-D225 WeakPolarHBondContact CA-O 3.31Å; Q147-D225 WeakPolarHBondContact CB-O 3.37Å; Q147-D225 PolarHBondContact N-O 3.39Å; Q147-E226 HydrophobicContact CG-CB 4.01Å; Q147-A229 HydrophobicContact CG-CB 3.92Å; Q147-A229 VanDerWaalsContact NE2-CB 3.32Å
148F90.7Very high86.4Confident94 Ų9452.3 Ų52.341%0.41226%0.255SS..SBendtrans53.654.5-173.5-51.5-73000113.1F146 E150 A151 A229F146-F148 PolarHBondContact O-N 2.9Å; F148-E150 WeakPolarHBondContact CA-OE2 3.26Å; F148-E150 PolarHBondContact O-N 3.29Å; F148-E150 VanDerWaalsContact O-N 3.12Å; F148-A151 WeakPolarHBondContact O-CB 3.37Å; F148-A151 PolarHBondContact O-N 3.5Å; F148-A151 VanDerWaalsContact O-N 3.13Å; F148-A229 HydrophobicContact CE1-CB 4.32Å; F148-A229 HydrophobicContact CZ-CB 4.12Å
149P90.6Very high88.1Confident3 Ų350.7 Ų50.72%0.01925%0.246CC..G310 helixtrans-65.7-19.1-173.833.3-38.9000112.4V145 F146 A151 Q152 R207 A210V145-P149 HydrophobicContact CG1-CB 3.91Å; V145-P149 HydrophobicContact CG1-CG 3.79Å; F146-P149 WeakPolarHBondContact O-CD 3.09Å; P149-A151 PolarHBondContact O-N 3.4Å; P149-A151 VanDerWaalsContact O-N 3.08Å; P149-Q152 WeakPolarHBondContact O-CB 3.38Å; P149-Q152 PolarHBondContact O-N 3.43Å; P149-R207 HydrophobicContact CG-CG 3.79Å; P149-A210 HydrophobicContact CB-CB 3.78Å; P149-A210 HydrophobicContact CG-CB 4.17Å; P149-A210 WeakPolarHBondContact O-CB 3.23Å
150E89.5Confident89.9Confident39 Ų3950 Ų5018%0.18225%0.245CC..G310 helixtrans-53.7-25.8172.156.8-90.7-157.800113.9F148 Q152 L153 M206 R207F148-E150 WeakPolarHBondContact CA-OE2 3.26Å; F148-E150 PolarHBondContact O-N 3.29Å; F148-E150 VanDerWaalsContact O-N 3.12Å; E150-Q152 PolarHBondContact O-N 3.11Å; E150-L153 PolarHBondContact O-N 3.33Å; E150-M206 HydrophobicContact CB-CB 3.56Å; E150-R207 IonicContact OE1-CZ 3.7Å; E150-R207 IonicContact OE1-NE 2.8Å; E150-R207 IonicContact OE1-NH2 2.9Å; E150-R207 PolarHBondContact OE1-NH2 3.17Å; E150-R207 IonicContact OE2-CZ 3.5Å; E150-R207 IonicContact OE2-NE 3.63Å; E150-R207 PolarHBondContact OE2-NE 3.08Å; E150-R207 IonicContact OE2-NH2 3.65Å; E150-R207 PolarHBondContact OE2-NH2 2.83Å
151A89.1Confident91.5Very high88 Ų8846.6 Ų46.673%0.72723%0.231SC*.G310 helixtrans-71.3-8.7177.300000113.6F148 P149F148-A151 WeakPolarHBondContact O-CB 3.37Å; F148-A151 PolarHBondContact O-N 3.5Å; F148-A151 VanDerWaalsContact O-N 3.13Å; P149-A151 PolarHBondContact O-N 3.4Å; P149-A151 VanDerWaalsContact O-N 3.08Å
152Q86.2Confident92.3Very high103 Ų10343.9 Ų43.948%0.48122%0.22SC..G310 helixtrans-93.8-12-178.4-56.1-174.6-65.300113.2P149 E150 F154P149-Q152 WeakPolarHBondContact O-CB 3.38Å; P149-Q152 PolarHBondContact O-N 3.43Å; E150-Q152 PolarHBondContact O-N 3.11Å; Q152-F154 WeakPolarHBondContact O-CD1 3.43Å
153L89.4Confident92.9Very high10 Ų1043.6 Ų43.65%0.05222%0.218CC..  trans-66.5136.2179.2-56.2176000110.3E150 D161 P198 M206 V209 A210E150-L153 PolarHBondContact O-N 3.33Å; L153-D161 WeakPolarHBondContact CA-OD2 3.39Å; L153-D161 WeakPolarHBondContact CD2-OD1 3.48Å; L153-P198 HydrophobicContact CB-CB 3.99Å; L153-P198 HydrophobicContact CD1-CB 3.92Å; L153-P198 HydrophobicContact CG-CB 4.49Å; L153-M206 HydrophobicContact CD1-CB 3.69Å; L153-M206 HydrophobicContact CD1-CG 4.03Å; L153-M206 WeakPolarHBondContact CD1-O 3.11Å; L153-V209 HydrophobicContact CD1-CB 4.4Å; L153-V209 HydrophobicContact CD1-CG1 4.38Å; L153-V209 HydrophobicContact CD2-CB 4.39Å; L153-V209 HydrophobicContact CD2-CG1 3.78Å; L153-A210 HydrophobicContact CD2-CB 3.93Å; L153-A210 HydrophobicContact CG-CB 4.41Å
154F94.4Very high93.2Very high102 Ų10247.6 Ų47.645%0.44724%0.236SC..  trans-151.2-16.4-171.971.7-82.7000115Q152 D161 F164Q152-F154 WeakPolarHBondContact O-CD1 3.43Å; F154-D161 PolarHBondContact N-OD2 2.74Å; F154-F164 AromaticContact CE1-CD1 3.87Å; F154-F164 HydrophobicContact CE1-CD1 3.87Å; F154-F164 HydrophobicContact CE1-CE1 4.03Å; F154-F164 HydrophobicContact CE1-CG 4.12Å; F154-F164 HydrophobicContact CE1-CZ 4.43Å; F154-F164 HydrophobicContact CE2-CD2 4.25Å; F154-F164 HydrophobicContact CE2-CE2 4.13Å; F154-F164 HydrophobicContact CE2-CZ 4.39Å; F154-F164 HydrophobicContact CZ-CB 4.28Å; F154-F164 AromaticContact CZ-CD1 3.61Å; F154-F164 HydrophobicContact CZ-CD1 3.61Å; F154-F164 AromaticContact CZ-CD2 3.54Å; F154-F164 HydrophobicContact CZ-CD2 3.54Å; F154-F164 AromaticContact CZ-CE1 3.65Å; F154-F164 HydrophobicContact CZ-CE1 3.65Å; F154-F164 AromaticContact CZ-CE2 3.58Å; F154-F164 HydrophobicContact CZ-CE2 3.58Å; F154-F164 AromaticContact CZ-CG 3.54Å; F154-F164 HydrophobicContact CZ-CG 3.54Å; F154-F164 AromaticContact CZ-CZ 3.63Å; F154-F164 HydrophobicContact CZ-CZ 3.63Å
155E96.1Very high93.2Very high54 Ų5447.6 Ų47.625%0.25224%0.238SC..SBendtrans-77.6164.1-179.6-83.9-71169.100112.6T157 K160 D161 P198E155-T157 VanDerWaalsContact C-N 3.32Å; E155-T157 PolarHBondContact O-N 3.44Å; E155-K160 HydrophobicContact CB-CB 3.81Å; E155-K160 HydrophobicContact CG-CB 3.99Å; E155-D161 HydrophobicContact CB-CB 3.81Å; E155-D161 HydrophobicContact CG-CB 4.47Å; E155-D161 PolarHBondContact N-OD2 3.06Å; E155-P198 WeakPolarHBondContact O-CD 3.46Å
156E96.2Very high93.2Very high134 Ų13447.7 Ų47.763%0.62624%0.239SC*.SBendtrans-66.5-35.2-177.5-66.9178.4164.800112.8K160 S197E156-K160 HydrophobicContact CB-CD 4.35Å; E156-K160 IonicContact OE2-NZ 3.24Å; E156-K160 PolarHBondContact OE2-NZ 3.28Å; E156-S197 WeakPolarHBondContact O-CA 3.34Å
157T98.2Very high93.4Very high21 Ų2149 Ų4913%0.12925%0.245CC..SBendtrans-130.5153.7-178.871.20000111.1E155 A159 K160 D161 L194 R196E155-T157 VanDerWaalsContact C-N 3.32Å; E155-T157 PolarHBondContact O-N 3.44Å; T157-A159 VanDerWaalsContact C-N 3.25Å; T157-A159 PolarHBondContact O-N 3.04Å; T157-K160 PolarHBondContact O-N 3.15Å; T157-K160 VanDerWaalsContact O-N 3.13Å; T157-K160 WeakPolarHBondContact OG1-CG 3.29Å; T157-K160 PolarHBondContact OG1-N 3.49Å; T157-D161 PolarHBondContact O-N 2.9Å; T157-L194 WeakPolarHBondContact CB-O 3.34Å; T157-R196 VanDerWaalsContact CA-O 3.31Å; T157-R196 WeakPolarHBondContact CA-O 3.47Å
158V98.4Very high93.2Very high0 Ų049.7 Ų49.70%025%0.251CS..Hα-helixtrans-53.9-43.4175.2169.10000111.6K160 D161 I162 L184 Y193 L194 R196 P198 L201 V209V158-K160 VanDerWaalsContact C-N 3.35Å; V158-K160 PolarHBondContact O-N 2.89Å; V158-D161 PolarHBondContact O-N 3.34Å; V158-I162 HydrophobicContact CG1-CD1 3.77Å; V158-I162 WeakPolarHBondContact O-CG1 3.44Å; V158-I162 PolarHBondContact O-N 3.4Å; V158-L184 HydrophobicContact CG1-CD1 3.77Å; V158-L184 HydrophobicContact CG1-CD2 4.45Å; V158-Y193 VanDerWaalsContact CB-O 3.3Å; V158-Y193 WeakPolarHBondContact CB-O 3.25Å; V158-Y193 WeakPolarHBondContact CG2-O 3.49Å; V158-L194 PolarHBondContact N-O 3.41Å; V158-R196 PolarHBondContact N-O 3.07Å; V158-P198 HydrophobicContact CG2-CG 4.37Å; V158-L201 HydrophobicContact CG2-CD1 3.8Å; V158-V209 HydrophobicContact CB-CG1 4.5Å; V158-V209 HydrophobicContact CG1-CB 4.47Å; V158-V209 HydrophobicContact CG1-CG1 3.88Å; V158-V209 HydrophobicContact CG1-CG2 3.72Å; V158-V209 HydrophobicContact CG2-CG1 4.43Å; V158-V209 HydrophobicContact CG2-CG2 4.09Å
159A98.3Very high92.8Very high5 Ų548.8 Ų48.84%0.04125%0.247CC..Hα-helixtrans-59.9-44.3178.200000112.2T157 A163 L177 L194T157-A159 VanDerWaalsContact C-N 3.25Å; T157-A159 PolarHBondContact O-N 3.04Å; A159-A163 WeakPolarHBondContact O-CB 3.46Å; A159-A163 PolarHBondContact O-N 3.02Å; A159-L177 HydrophobicContact CB-CD2 3.98Å; A159-L194 HydrophobicContact CB-CB 4.1Å; A159-L194 HydrophobicContact CB-CD2 3.78Å; A159-L194 WeakPolarHBondContact CB-O 3.39Å; A159-L194 PolarHBondContact N-O 3Å
160K97.9Very high92.7Very high85 Ų8552 Ų5237%0.3728%0.281SS..Hα-helixtrans-66-40178.2-72.8177.2-174.3-175.20111.8E155 E156 T157 V158 A163 F164E155-K160 HydrophobicContact CB-CB 3.81Å; E155-K160 HydrophobicContact CG-CB 3.99Å; E156-K160 HydrophobicContact CB-CD 4.35Å; E156-K160 IonicContact OE2-NZ 3.24Å; E156-K160 PolarHBondContact OE2-NZ 3.28Å; T157-K160 PolarHBondContact O-N 3.15Å; T157-K160 VanDerWaalsContact O-N 3.13Å; T157-K160 WeakPolarHBondContact OG1-CG 3.29Å; T157-K160 PolarHBondContact OG1-N 3.49Å; V158-K160 VanDerWaalsContact C-N 3.35Å; V158-K160 PolarHBondContact O-N 2.89Å; K160-A163 PolarHBondContact O-N 3.14Å; K160-F164 PolarHBondContact O-N 3.45Å
161D97.7Very high92.8Very high14 Ų1451.5 Ų51.58%0.07528%0.281CS..Hα-helixtrans-63.1-48.1179.8-150.6-77.7000111L153 F154 E155 T157 V158 A163 F164L153-D161 WeakPolarHBondContact CA-OD2 3.39Å; L153-D161 WeakPolarHBondContact CD2-OD1 3.48Å; F154-D161 PolarHBondContact N-OD2 2.74Å; E155-D161 HydrophobicContact CB-CB 3.81Å; E155-D161 HydrophobicContact CG-CB 4.47Å; E155-D161 PolarHBondContact N-OD2 3.06Å; T157-D161 PolarHBondContact O-N 2.9Å; V158-D161 PolarHBondContact O-N 3.34Å; D161-A163 PolarHBondContact O-N 3.42Å; D161-F164 WeakPolarHBondContact O-CB 3.19Å; D161-F164 PolarHBondContact O-N 2.95Å
162I97.4Very high93.1Very high0 Ų050.2 Ų50.20%027%0.266CS..Hα-helixtrans-65.8-41.2177.7-61.1167.4000111.1V158 F164 P166 A180 N183 L184 V209 A212 A216V158-I162 HydrophobicContact CG1-CD1 3.77Å; V158-I162 WeakPolarHBondContact O-CG1 3.44Å; V158-I162 PolarHBondContact O-N 3.4Å; I162-F164 PolarHBondContact O-N 3.38Å; I162-P166 WeakPolarHBondContact O-CD 3.49Å; I162-A180 HydrophobicContact CB-CB 3.78Å; I162-A180 HydrophobicContact CG2-CB 3.74Å; I162-N183 HydrophobicContact CG2-CB 4.36Å; I162-L184 HydrophobicContact CD1-CB 4.26Å; I162-L184 HydrophobicContact CD1-CD1 3.87Å; I162-V209 HydrophobicContact CD1-CG1 4.28Å; I162-V209 HydrophobicContact CG1-CG1 4.06Å; I162-A212 HydrophobicContact CD1-CB 3.67Å; I162-A212 HydrophobicContact CG1-CB 3.95Å; I162-A212 HydrophobicContact CG2-CB 4.32Å; I162-A216 HydrophobicContact CG2-CB 3.72Å
163A97.1Very high93.6Very high3 Ų349.9 Ų49.93%0.02527%0.268CS..Hα-helixtrans-67.3-16.4178.600000113.7A159 K160 D161 G165 P166 K167 A176 L177 A180A159-A163 WeakPolarHBondContact O-CB 3.46Å; A159-A163 PolarHBondContact O-N 3.02Å; K160-A163 PolarHBondContact O-N 3.14Å; D161-A163 PolarHBondContact O-N 3.42Å; A163-G165 PolarHBondContact O-N 3.04Å; A163-P166 WeakPolarHBondContact O-CD 3.45Å; A163-K167 HydrophobicContact CB-CD 4.36Å; A163-K167 WeakPolarHBondContact O-CB 3.22Å; A163-K167 VanDerWaalsContact O-CG 3.27Å; A163-K167 WeakPolarHBondContact O-CG 3.48Å; A163-K167 PolarHBondContact O-N 3.33Å; A163-K167 VanDerWaalsContact O-N 3.15Å; A163-A176 HydrophobicContact CB-CB 3.88Å; A163-L177 HydrophobicContact CB-CD2 4.26Å; A163-A180 HydrophobicContact CB-CB 4.42Å
164F93.3Very high94Very high83 Ų8357.4 Ų57.436%0.36430%0.302SS..Hα-helixtrans-60.5-43.9-176.5-178.9-106.6000112.9F154 K160 D161 I162 N168F154-F164 AromaticContact CE1-CD1 3.87Å; F154-F164 HydrophobicContact CE1-CD1 3.87Å; F154-F164 HydrophobicContact CE1-CE1 4.03Å; F154-F164 HydrophobicContact CE1-CG 4.12Å; F154-F164 HydrophobicContact CE1-CZ 4.43Å; F154-F164 HydrophobicContact CE2-CD2 4.25Å; F154-F164 HydrophobicContact CE2-CE2 4.13Å; F154-F164 HydrophobicContact CE2-CZ 4.39Å; F154-F164 HydrophobicContact CZ-CB 4.28Å; F154-F164 AromaticContact CZ-CD1 3.61Å; F154-F164 HydrophobicContact CZ-CD1 3.61Å; F154-F164 AromaticContact CZ-CD2 3.54Å; F154-F164 HydrophobicContact CZ-CD2 3.54Å; F154-F164 AromaticContact CZ-CE1 3.65Å; F154-F164 HydrophobicContact CZ-CE1 3.65Å; F154-F164 AromaticContact CZ-CE2 3.58Å; F154-F164 HydrophobicContact CZ-CE2 3.58Å; F154-F164 AromaticContact CZ-CG 3.54Å; F154-F164 HydrophobicContact CZ-CG 3.54Å; F154-F164 AromaticContact CZ-CZ 3.63Å; F154-F164 HydrophobicContact CZ-CZ 3.63Å; K160-F164 PolarHBondContact O-N 3.45Å; D161-F164 WeakPolarHBondContact O-CB 3.19Å; D161-F164 PolarHBondContact O-N 2.95Å; I162-F164 PolarHBondContact O-N 3.38Å; F164-N168 VanDerWaalsContact CD1-ND2 3.33Å; F164-N168 WeakPolarHBondContact CD1-ND2 3.39Å; F164-N168 WeakPolarHBondContact CE1-ND2 3.22Å; F164-N168 WeakPolarHBondContact CE2-ND2 3.25Å; F164-N168 WeakPolarHBondContact CZ-ND2 3.45Å; F164-N168 PolarHBondContact O-N 2.75Å; F164-N168 PolarHBondContact O-ND2 2.96Å
165G88.9Confident94.1Very high12 Ų1257.9 Ų57.912%0.12431%0.306CS..Hα-helixtrans-57.1-62.2177.900000112.2A163 K167 N168 F169A163-G165 PolarHBondContact O-N 3.04Å; G165-K167 VanDerWaalsContact C-N 3.32Å; G165-K167 PolarHBondContact O-N 3.42Å; G165-N168 WeakPolarHBondContact O-CB 3.5Å; G165-N168 PolarHBondContact O-N 2.78Å; G165-N168 VanDerWaalsContact O-N 3.08Å; G165-F169 WeakPolarHBondContact O-CD2 3.44Å; G165-F169 PolarHBondContact O-N 3Å
166P90.4Very high94.1Very high3 Ų355.3 Ų55.32%0.01929%0.294CS..Hα-helixtrans-50.5-45.8177.3-29.434.8000114.1I162 A163 N168 F169 G170 V171 A176 L179 A216I162-P166 WeakPolarHBondContact O-CD 3.49Å; A163-P166 WeakPolarHBondContact O-CD 3.45Å; P166-N168 VanDerWaalsContact C-N 3.28Å; P166-N168 PolarHBondContact O-N 3.02Å; P166-F169 CarbonylContact O-C 3.5Å; P166-F169 WeakPolarHBondContact O-CA 3.44Å; P166-F169 PolarHBondContact O-N 2.83Å; P166-G170 PolarHBondContact O-N 3.33Å; P166-V171 HydrophobicContact CB-CB 3.87Å; P166-V171 HydrophobicContact CB-CG1 4.2Å; P166-V171 HydrophobicContact CB-CG2 3.94Å; P166-V171 WeakPolarHBondContact O-CB 3.46Å; P166-V171 WeakPolarHBondContact O-CG2 3.24Å; P166-V171 PolarHBondContact O-N 3.1Å; P166-A176 HydrophobicContact CB-CB 4.01Å; P166-L179 HydrophobicContact CB-CD1 4Å; P166-L179 HydrophobicContact CG-CD1 4.04Å; P166-A216 HydrophobicContact CG-CB 3.79Å; P166-A216 WeakPolarHBondContact CG-O 3.16Å
167K92.2Very high94.2Very high90 Ų9053 Ų5339%0.39129%0.285SS..Hα-helixtrans-58.6-39.7179.3-75.3174.257.1145.50112.3A163 G165 F169 G170 D173 A176A163-K167 HydrophobicContact CB-CD 4.36Å; A163-K167 WeakPolarHBondContact O-CB 3.22Å; A163-K167 VanDerWaalsContact O-CG 3.27Å; A163-K167 WeakPolarHBondContact O-CG 3.48Å; A163-K167 PolarHBondContact O-N 3.33Å; A163-K167 VanDerWaalsContact O-N 3.15Å; G165-K167 VanDerWaalsContact C-N 3.32Å; G165-K167 PolarHBondContact O-N 3.42Å; K167-F169 PolarHBondContact O-N 3.03Å; K167-G170 PolarHBondContact O-N 3.24Å; K167-D173 WeakPolarHBondContact CD-OD1 3.49Å; K167-D173 WeakPolarHBondContact CE-OD1 3.47Å; K167-D173 IonicContact NZ-OD1 3.4Å; K167-D173 PolarHBondContact NZ-OD1 3.42Å; K167-D173 IonicContact NZ-OD2 2.7Å; K167-D173 PolarHBondContact NZ-OD2 3.39Å; K167-D173 VanDerWaalsContact NZ-OD2 3.11Å; K167-A176 HydrophobicContact CD-CB 4.23Å; K167-A176 HydrophobicContact CG-CB 3.65Å
168N85.4Confident94.1Very high100 Ų10054.8 Ų54.854%0.53530%0.303SS..Hα-helixtrans-67.2-17.2176.4-75.2-50.7000113.9F164 G165 P166F164-N168 VanDerWaalsContact CD1-ND2 3.33Å; F164-N168 WeakPolarHBondContact CD1-ND2 3.39Å; F164-N168 WeakPolarHBondContact CE1-ND2 3.22Å; F164-N168 WeakPolarHBondContact CE2-ND2 3.25Å; F164-N168 WeakPolarHBondContact CZ-ND2 3.45Å; F164-N168 PolarHBondContact O-N 2.75Å; F164-N168 PolarHBondContact O-ND2 2.96Å; G165-N168 WeakPolarHBondContact O-CB 3.5Å; G165-N168 PolarHBondContact O-N 2.78Å; G165-N168 VanDerWaalsContact O-N 3.08Å; P166-N168 VanDerWaalsContact C-N 3.28Å; P166-N168 PolarHBondContact O-N 3.02Å
169F82Confident94Very high75 Ų7555.7 Ų55.733%0.32931%0.307SS..THydrogen-bonded Turntrans-97.88.4172.4-73.4-79.5000113.7R139 K140 G165 P166 K167 M217R139-F169 HydrophobicContact CB-CZ 4.24Å; K140-F169 HydrophobicContact CB-CD1 4.17Å; K140-F169 HydrophobicContact CB-CE1 3.81Å; K140-F169 HydrophobicContact CB-CZ 4.12Å; K140-F169 HydrophobicContact CD-CD1 4.34Å; K140-F169 HydrophobicContact CG-CD1 4.41Å; K140-F169 HydrophobicContact CG-CE1 4.46Å; G165-F169 WeakPolarHBondContact O-CD2 3.44Å; G165-F169 PolarHBondContact O-N 3Å; P166-F169 CarbonylContact O-C 3.5Å; P166-F169 WeakPolarHBondContact O-CA 3.44Å; P166-F169 PolarHBondContact O-N 2.83Å; K167-F169 PolarHBondContact O-N 3.03Å; F169-M217 HydrophobicContact CD2-SD 4.27Å; F169-M217 HydrophobicContact CE2-CG 4.43Å; F169-M217 HydrophobicContact CE2-SD 3.64Å
170G88.4Confident94Very high70 Ų7055.5 Ų55.572%0.72231%0.306SS*.THydrogen-bonded Turntrans90.112.2173.300000114.9P166 K167P166-G170 PolarHBondContact O-N 3.33Å; K167-G170 PolarHBondContact O-N 3.24Å
171V91.4Very high94Very high30 Ų3054.9 Ų54.918%0.18230%0.304CS..  trans-68.6142171-178.70000109.3P166 E175 A176 L179P166-V171 HydrophobicContact CB-CB 3.87Å; P166-V171 HydrophobicContact CB-CG1 4.2Å; P166-V171 HydrophobicContact CB-CG2 3.94Å; P166-V171 WeakPolarHBondContact O-CB 3.46Å; P166-V171 WeakPolarHBondContact O-CG2 3.24Å; P166-V171 PolarHBondContact O-N 3.1Å; V171-E175 HydrophobicContact CG1-CB 3.64Å; V171-E175 HydrophobicContact CG1-CG 3.56Å; V171-A176 HydrophobicContact CG1-CB 4.13Å; V171-L179 HydrophobicContact CG1-CD1 4.19Å
172S96.3Very high94Very high61 Ų6158.2 Ų58.243%0.42732%0.319SS..  trans-66.3156178.571.90000111.6E174 E175 A176S172-E174 VanDerWaalsContact C-N 3.3Å; S172-E174 PolarHBondContact O-N 3.33Å; S172-E175 PolarHBondContact O-N 3.38Å; S172-E175 VanDerWaalsContact OG-CB 3.22Å; S172-E175 WeakPolarHBondContact OG-CB 3.29Å; S172-E175 PolarHBondContact OG-N 3.01Å; S172-A176 VanDerWaalsContact O-CB 3.25Å; S172-A176 WeakPolarHBondContact O-CB 3.44Å; S172-A176 PolarHBondContact O-N 3.34Å
173D95.9Very high93.9Very high96 Ų9658.6 Ų58.651%0.51332%0.321SS..Hα-helixtrans-59.3-40.4179.8-85.613.4000112.5K167 A176 L177K167-D173 WeakPolarHBondContact CD-OD1 3.49Å; K167-D173 WeakPolarHBondContact CE-OD1 3.47Å; K167-D173 IonicContact NZ-OD1 3.4Å; K167-D173 PolarHBondContact NZ-OD1 3.42Å; K167-D173 IonicContact NZ-OD2 2.7Å; K167-D173 PolarHBondContact NZ-OD2 3.39Å; K167-D173 VanDerWaalsContact NZ-OD2 3.11Å; D173-A176 PolarHBondContact O-N 3.07Å; D173-L177 VanDerWaalsContact O-CG 3.31Å; D173-L177 WeakPolarHBondContact O-CG 3.23Å; D173-L177 PolarHBondContact O-N 3.37Å
174E97.4Very high93.9Very high167 Ų16758.5 Ų58.578%0.7832%0.32SS*.Hα-helixtrans-64.2-46.9178.5-173.3175.9-179.100111.6S172 L177 A178S172-E174 VanDerWaalsContact C-N 3.3Å; S172-E174 PolarHBondContact O-N 3.33Å; E174-L177 PolarHBondContact O-N 2.81Å; E174-A178 PolarHBondContact O-N 3.02Å; E174-A178 VanDerWaalsContact O-N 3.11Å
175E97Very high94Very high112 Ų11259.1 Ų59.152%0.52332%0.323SS..Hα-helixtrans-68.1-37.1178-174.2-179.3-175.400112V171 S172 L177 A178 L179V171-E175 HydrophobicContact CG1-CB 3.64Å; V171-E175 HydrophobicContact CG1-CG 3.56Å; S172-E175 PolarHBondContact O-N 3.38Å; S172-E175 VanDerWaalsContact OG-CB 3.22Å; S172-E175 WeakPolarHBondContact OG-CB 3.29Å; S172-E175 PolarHBondContact OG-N 3.01Å; E175-L177 VanDerWaalsContact C-N 3.35Å; E175-L177 PolarHBondContact O-N 2.82Å; E175-A178 PolarHBondContact O-N 2.79Å; E175-L179 WeakPolarHBondContact O-CG 3.41Å; E175-L179 PolarHBondContact O-N 3.34Å
176A96.9Very high94.2Very high0 Ų059.8 Ų59.80%032%0.324CS..Hα-helixtrans-66.9-35.1177.800000112.5A163 P166 K167 V171 S172 D173 A180A163-A176 HydrophobicContact CB-CB 3.88Å; P166-A176 HydrophobicContact CB-CB 4.01Å; K167-A176 HydrophobicContact CD-CB 4.23Å; K167-A176 HydrophobicContact CG-CB 3.65Å; V171-A176 HydrophobicContact CG1-CB 4.13Å; S172-A176 VanDerWaalsContact O-CB 3.25Å; S172-A176 WeakPolarHBondContact O-CB 3.44Å; S172-A176 PolarHBondContact O-N 3.34Å; D173-A176 PolarHBondContact O-N 3.07Å; A176-A180 PolarHBondContact O-N 2.83Å
177L97.2Very high94.4Very high85 Ų8559.7 Ų59.745%0.44532%0.323SS..Hα-helixtrans-71.3-36.7173.6-71.4171.5000112A159 A163 D173 E174 E175 A180 E181A159-L177 HydrophobicContact CB-CD2 3.98Å; A163-L177 HydrophobicContact CB-CD2 4.26Å; D173-L177 VanDerWaalsContact O-CG 3.31Å; D173-L177 WeakPolarHBondContact O-CG 3.23Å; D173-L177 PolarHBondContact O-N 3.37Å; E174-L177 PolarHBondContact O-N 2.81Å; E175-L177 VanDerWaalsContact C-N 3.35Å; E175-L177 PolarHBondContact O-N 2.82Å; L177-A180 WeakPolarHBondContact O-CB 3.45Å; L177-A180 PolarHBondContact O-N 3.4Å; L177-E181 PolarHBondContact O-N 2.8Å
178A97.1Very high94.5Very high59 Ų5957.9 Ų57.949%0.48833%0.329SS..Hα-helixtrans-63.6-42.8172.600000111.7E174 E175 A180 E181 E182E174-A178 PolarHBondContact O-N 3.02Å; E174-A178 VanDerWaalsContact O-N 3.11Å; E175-A178 PolarHBondContact O-N 2.79Å; A178-A180 VanDerWaalsContact C-N 3.26Å; A178-A180 PolarHBondContact O-N 2.97Å; A178-E181 PolarHBondContact O-N 2.77Å; A178-E182 PolarHBondContact O-N 3.21Å; A178-E182 VanDerWaalsContact O-N 3.07Å
179L96.5Very high95Very high20 Ų2053.6 Ų53.611%0.10531%0.307CS..Hα-helixtrans-60.8-36.9172-73.1171.3000111.6P166 V171 E175 E182 N183P166-L179 HydrophobicContact CB-CD1 4Å; P166-L179 HydrophobicContact CG-CD1 4.04Å; V171-L179 HydrophobicContact CG1-CD1 4.19Å; E175-L179 WeakPolarHBondContact O-CG 3.41Å; E175-L179 PolarHBondContact O-N 3.34Å; L179-E182 PolarHBondContact O-N 2.81Å; L179-N183 WeakPolarHBondContact O-CB 3.24Å; L179-N183 PolarHBondContact O-N 3.42Å; L179-N183 PolarHBondContact O-ND2 2.93Å
180A97.9Very high95.6Very high0 Ų055.4 Ų55.40%032%0.32CS..Hα-helixtrans-63.2-44.6177.100000112.4I162 A163 A176 L177 A178 N183 L184I162-A180 HydrophobicContact CB-CB 3.78Å; I162-A180 HydrophobicContact CG2-CB 3.74Å; A163-A180 HydrophobicContact CB-CB 4.42Å; A176-A180 PolarHBondContact O-N 2.83Å; L177-A180 WeakPolarHBondContact O-CB 3.45Å; L177-A180 PolarHBondContact O-N 3.4Å; A178-A180 VanDerWaalsContact C-N 3.26Å; A178-A180 PolarHBondContact O-N 2.97Å; A180-N183 PolarHBondContact O-N 3.15Å; A180-L184 VanDerWaalsContact O-CB 3.28Å; A180-L184 WeakPolarHBondContact O-CB 3.33Å; A180-L184 PolarHBondContact O-N 3.07Å
181E97.8Very high96Very high72 Ų7257 Ų5734%0.33631%0.308SS..Hα-helixtrans-61.7-46.4175.5-173.5-170.3147.100112.2L177 A178 L184 K185 E191 L194L177-E181 PolarHBondContact O-N 2.8Å; A178-E181 PolarHBondContact O-N 2.77Å; E181-L184 PolarHBondContact O-N 3.39Å; E181-K185 PolarHBondContact O-N 2.9Å; E181-K185 IonicContact OE1-NZ 3.42Å; E181-K185 PolarHBondContact OE1-NZ 3.26Å; E181-E191 HydrophobicContact CG-CG 4.13Å; E181-L194 HydrophobicContact CB-CD1 4.13Å; E181-L194 HydrophobicContact CG-CD1 4.01Å
182E96.5Very high96.2Very high85 Ų8560.8 Ų60.840%0.39732%0.324SS..Hα-helixtrans-59.3-50177.4-176.1-174.216300111A178 L179 L184 K185 L186 K250A178-E182 PolarHBondContact O-N 3.21Å; A178-E182 VanDerWaalsContact O-N 3.07Å; L179-E182 PolarHBondContact O-N 2.81Å; E182-L184 VanDerWaalsContact C-N 3.31Å; E182-L184 PolarHBondContact O-N 3.11Å; E182-K185 WeakPolarHBondContact O-CB 3.38Å; E182-K185 PolarHBondContact O-N 3.29Å; E182-L186 HydrophobicContact CG-CD1 4.47Å; E182-L186 WeakPolarHBondContact O-CG 3.26Å; E182-L186 PolarHBondContact O-N 3.15Å; E182-L186 VanDerWaalsContact O-N 3.11Å; E182-K250 IonicContact OE1-NZ 2.62Å; E182-K250 PolarHBondContact OE1-NZ 3.34Å
183N96.2Very high96.3Very high8 Ų859.3 Ų59.34%0.04331%0.31CS..Hα-helixtrans-71.5-27.1-174.5-77.4-84.2000112.8I162 L179 A180 L186 V187 A212 L215 A216I162-N183 HydrophobicContact CG2-CB 4.36Å; L179-N183 WeakPolarHBondContact O-CB 3.24Å; L179-N183 PolarHBondContact O-N 3.42Å; L179-N183 PolarHBondContact O-ND2 2.93Å; A180-N183 PolarHBondContact O-N 3.15Å; N183-L186 PolarHBondContact O-N 2.79Å; N183-V187 PolarHBondContact O-N 3.49Å; N183-A212 HydrophobicContact CB-CB 4.14Å; N183-L215 VanDerWaalsContact OD1-C 3.29Å; N183-L215 WeakPolarHBondContact OD1-CB 3.35Å; N183-A216 HydrophobicContact CB-CB 4.33Å; N183-A216 WeakPolarHBondContact ND2-CA 3.37Å; N183-A216 PolarHBondContact OD1-N 3.21Å
184L97.3Very high96.4Very high1 Ų155.8 Ų55.81%0.00529%0.29CS..Hα-helixtrans-63.5-42.4172.5-169.269.4000111.6V158 I162 A180 E181 E182 V187 G188 L189 D190 L194 V209V158-L184 HydrophobicContact CG1-CD1 3.77Å; V158-L184 HydrophobicContact CG1-CD2 4.45Å; I162-L184 HydrophobicContact CD1-CB 4.26Å; I162-L184 HydrophobicContact CD1-CD1 3.87Å; A180-L184 VanDerWaalsContact O-CB 3.28Å; A180-L184 WeakPolarHBondContact O-CB 3.33Å; A180-L184 PolarHBondContact O-N 3.07Å; E181-L184 PolarHBondContact O-N 3.39Å; E182-L184 VanDerWaalsContact C-N 3.31Å; E182-L184 PolarHBondContact O-N 3.11Å; L184-V187 WeakPolarHBondContact O-CG2 3.09Å; L184-V187 PolarHBondContact O-N 3.29Å; L184-G188 PolarHBondContact O-N 2.77Å; L184-L189 CarbonylContact C-O 3.49Å; L184-L189 HydrophobicContact CD1-CB 3.66Å; L184-L189 HydrophobicContact CD1-CD1 3.76Å; L184-L189 HydrophobicContact CD1-CG 4.32Å; L184-L189 HydrophobicContact CG-CB 3.78Å; L184-L189 PolarHBondContact O-N 2.78Å; L184-D190 VanDerWaalsContact CD2-O 3.31Å; L184-D190 WeakPolarHBondContact CD2-O 2.93Å; L184-L194 HydrophobicContact CB-CD2 4.47Å; L184-L194 HydrophobicContact CD2-CD2 3.58Å; L184-L194 HydrophobicContact CD2-CG 3.56Å; L184-V209 HydrophobicContact CD1-CG2 4.3Å
185K95.5Very high96.4Very high96 Ų9655.1 Ų55.142%0.41729%0.287SS..Hα-helixtrans-65.5-39.3174.8-66.8167.8-179.5169.30111.6E181 E182 V187 G188 E191E181-K185 PolarHBondContact O-N 2.9Å; E181-K185 IonicContact OE1-NZ 3.42Å; E181-K185 PolarHBondContact OE1-NZ 3.26Å; E182-K185 WeakPolarHBondContact O-CB 3.38Å; E182-K185 PolarHBondContact O-N 3.29Å; K185-V187 PolarHBondContact O-N 3.22Å; K185-G188 PolarHBondContact O-N 3.04Å; K185-E191 WeakPolarHBondContact CE-OE1 2.84Å; K185-E191 IonicContact NZ-OE1 2.73Å; K185-E191 PolarHBondContact NZ-OE1 3Å
186L92.9Very high96.4Very high26 Ų2654 Ų5414%0.13628%0.278CS..Hα-helixtrans-60.1-35.9177.7-72177.7000112.4E182 N183 G188 R245 L246E182-L186 HydrophobicContact CG-CD1 4.47Å; E182-L186 WeakPolarHBondContact O-CG 3.26Å; E182-L186 PolarHBondContact O-N 3.15Å; E182-L186 VanDerWaalsContact O-N 3.11Å; N183-L186 PolarHBondContact O-N 2.79Å; L186-G188 VanDerWaalsContact C-N 3.27Å; L186-G188 PolarHBondContact O-N 3.06Å; L186-R245 PolarHBondContact O-NH2 3.03Å; L186-L246 HydrophobicContact CB-CD2 4.28Å; L186-L246 HydrophobicContact CD2-CD2 4.42Å
187V94.4Very high96.4Very high0 Ų055.4 Ų55.40%029%0.288CS..THydrogen-bonded Turntrans-85.86.3176.2-57.90000113.9N183 L184 K185 L189 R208 I211 A212 L215 M242N183-V187 PolarHBondContact O-N 3.49Å; L184-V187 WeakPolarHBondContact O-CG2 3.09Å; L184-V187 PolarHBondContact O-N 3.29Å; K185-V187 PolarHBondContact O-N 3.22Å; V187-L189 HydrophobicContact CG2-CD1 4.39Å; V187-L189 HydrophobicContact CG2-CG 4.36Å; V187-R208 HydrophobicContact CB-CB 4.07Å; V187-R208 HydrophobicContact CG2-CB 3.96Å; V187-R208 WeakPolarHBondContact CG2-O 3.13Å; V187-R208 VanDerWaalsContact O-CD 3.31Å; V187-R208 WeakPolarHBondContact O-CD 3.42Å; V187-R208 PolarHBondContact O-NH1 3.13Å; V187-I211 HydrophobicContact CG1-CB 4.36Å; V187-I211 HydrophobicContact CG1-CG2 4.02Å; V187-A212 HydrophobicContact CG1-CB 3.86Å; V187-A212 HydrophobicContact CG2-CB 3.86Å; V187-L215 HydrophobicContact CG1-CD1 3.92Å; V187-M242 HydrophobicContact CB-SD 3.97Å; V187-M242 HydrophobicContact CG1-SD 4.17Å
188G94.1Very high96.4Very high52 Ų5251.3 Ų51.354%0.53627%0.267SS..THydrogen-bonded Turntrans78.131174.400000114.5L184 K185 L186L184-G188 PolarHBondContact O-N 2.77Å; K185-G188 PolarHBondContact O-N 3.04Å; L186-G188 VanDerWaalsContact C-N 3.27Å; L186-G188 PolarHBondContact O-N 3.06Å
189L96Very high96.3Very high11 Ų1155.1 Ų55.16%0.05827%0.273CS..  trans-114.1142.9172.1-65.3178.6000110.5L184 V187 Y193 Q205 R208 V209L184-L189 CarbonylContact C-O 3.49Å; L184-L189 HydrophobicContact CD1-CB 3.66Å; L184-L189 HydrophobicContact CD1-CD1 3.76Å; L184-L189 HydrophobicContact CD1-CG 4.32Å; L184-L189 HydrophobicContact CG-CB 3.78Å; L184-L189 PolarHBondContact O-N 2.78Å; V187-L189 HydrophobicContact CG2-CD1 4.39Å; V187-L189 HydrophobicContact CG2-CG 4.36Å; L189-Y193 HydrophobicContact CB-CD2 4.35Å; L189-Q205 HydrophobicContact CD2-CG 3.98Å; L189-R208 HydrophobicContact CD1-CB 3.81Å; L189-R208 HydrophobicContact CG-CB 4.17Å; L189-V209 HydrophobicContact CD1-CG2 3.76Å
190D95.7Very high96.2Very high112 Ų11261.1 Ų61.160%0.59930%0.3SS*.  trans-76159.5179.5-68.4-46.3000112.3L184 E192 Y193L184-D190 VanDerWaalsContact CD2-O 3.31Å; L184-D190 WeakPolarHBondContact CD2-O 2.93Å; D190-E192 HydrophobicContact CB-CG 3.91Å; D190-E192 PolarHBondContact O-N 2.9Å; D190-E192 VanDerWaalsContact O-N 3.12Å; D190-Y193 HydrophobicContact CB-CD2 4.22Å; D190-Y193 HydrophobicContact CB-CE2 4.37Å; D190-Y193 WeakPolarHBondContact O-CD2 3.24Å; D190-Y193 PolarHBondContact O-N 2.8Å; D190-Y193 VanDerWaalsContact O-N 3.14Å
191E95.8Very high96.2Very high103 Ų10361.7 Ų61.748%0.48130%0.303SS..G310 helixtrans-59-25.6178-67170.3-155.400113.3E181 K185 Y193 L194E181-E191 HydrophobicContact CG-CG 4.13Å; K185-E191 WeakPolarHBondContact CE-OE1 2.84Å; K185-E191 IonicContact NZ-OE1 2.73Å; K185-E191 PolarHBondContact NZ-OE1 3Å; E191-Y193 PolarHBondContact O-N 3.49Å; E191-L194 HydrophobicContact CB-CD1 4.24Å; E191-L194 WeakPolarHBondContact O-CB 3.21Å; E191-L194 WeakPolarHBondContact O-CG 3.43Å; E191-L194 PolarHBondContact O-N 2.84Å
192E96Very high96Very high111 Ų11161.3 Ų61.352%0.51931%0.308SS..G310 helixtrans-60.8-15.6177.862.5156.8-143.200114.1D190 R196D190-E192 HydrophobicContact CB-CG 3.91Å; D190-E192 PolarHBondContact O-N 2.9Å; D190-E192 VanDerWaalsContact O-N 3.12Å; E192-R196 IonicContact OE1-CZ 3.39Å; E192-R196 IonicContact OE1-NH2 3.27Å; E192-R196 PolarHBondContact OE1-NH2 2.89Å; E192-R196 IonicContact OE2-NH2 3.25Å
193Y97.7Very high95.7Very high30 Ų3059 Ų5912%0.11831%0.308CS..G310 helixtrans-82.2-20176.8-71-90.3000113V158 L189 D190 E191 E195 R196 L201 Q205V158-Y193 VanDerWaalsContact CB-O 3.3Å; V158-Y193 WeakPolarHBondContact CB-O 3.25Å; V158-Y193 WeakPolarHBondContact CG2-O 3.49Å; L189-Y193 HydrophobicContact CB-CD2 4.35Å; D190-Y193 HydrophobicContact CB-CD2 4.22Å; D190-Y193 HydrophobicContact CB-CE2 4.37Å; D190-Y193 WeakPolarHBondContact O-CD2 3.24Å; D190-Y193 PolarHBondContact O-N 2.8Å; D190-Y193 VanDerWaalsContact O-N 3.14Å; E191-Y193 PolarHBondContact O-N 3.49Å; Y193-E195 VanDerWaalsContact C-N 3.3Å; Y193-E195 PolarHBondContact O-N 2.81Å; Y193-R196 WeakPolarHBondContact O-CB 3.35Å; Y193-R196 PolarHBondContact O-N 2.83Å; Y193-L201 HydrophobicContact CD1-CD2 3.53Å; Y193-L201 HydrophobicContact CE1-CD2 3.91Å; Y193-Q205 PolarHBondContact OH-NE2 3.35Å
194L97.6Very high95.5Very high21 Ų2160 Ų6011%0.1132%0.32CS..THydrogen-bonded Turntrans-56-41.3-173-76.1168.8000113.6T157 V158 A159 E181 L184 E191T157-L194 WeakPolarHBondContact CB-O 3.34Å; V158-L194 PolarHBondContact N-O 3.41Å; A159-L194 HydrophobicContact CB-CB 4.1Å; A159-L194 HydrophobicContact CB-CD2 3.78Å; A159-L194 WeakPolarHBondContact CB-O 3.39Å; A159-L194 PolarHBondContact N-O 3Å; E181-L194 HydrophobicContact CB-CD1 4.13Å; E181-L194 HydrophobicContact CG-CD1 4.01Å; L184-L194 HydrophobicContact CB-CD2 4.47Å; L184-L194 HydrophobicContact CD2-CD2 3.58Å; L184-L194 HydrophobicContact CD2-CG 3.56Å; E191-L194 HydrophobicContact CB-CD1 4.24Å; E191-L194 WeakPolarHBondContact O-CB 3.21Å; E191-L194 WeakPolarHBondContact O-CG 3.43Å; E191-L194 PolarHBondContact O-N 2.84Å
195E97.3Very high95.4Very high154 Ų15462.1 Ų62.172%0.7233%0.33SS*.THydrogen-bonded Turntrans-89.3-5.7-177.5-62.4-58.4145.700113.3Y193Y193-E195 VanDerWaalsContact C-N 3.3Å; Y193-E195 PolarHBondContact O-N 2.81Å
196R97.6Very high95.4Very high87 Ų8759.6 Ų59.633%0.32832%0.32SS..SBendtrans-76.2155178.5-63.2-169.4-172.1177.97.8110.9T157 V158 E192 Y193 L201T157-R196 VanDerWaalsContact CA-O 3.31Å; T157-R196 WeakPolarHBondContact CA-O 3.47Å; V158-R196 PolarHBondContact N-O 3.07Å; E192-R196 IonicContact OE1-CZ 3.39Å; E192-R196 IonicContact OE1-NH2 3.27Å; E192-R196 PolarHBondContact OE1-NH2 2.89Å; E192-R196 IonicContact OE2-NH2 3.25Å; Y193-R196 WeakPolarHBondContact O-CB 3.35Å; Y193-R196 PolarHBondContact O-N 2.83Å; R196-L201 HydrophobicContact CB-CD2 4.4Å
197S97.9Very high95.5Very high30 Ų3058.6 Ų58.621%0.2131%0.314CS..  trans-72.1136.2168.2-174.90000109.9E156 F199 E200E156-S197 WeakPolarHBondContact O-CA 3.34Å; S197-F199 PolarHBondContact O-N 3.42Å; S197-F199 VanDerWaalsContact O-N 3.1Å; S197-E200 PolarHBondContact N-OE2 3.45Å; S197-E200 WeakPolarHBondContact O-CB 3.49Å; S197-E200 PolarHBondContact O-N 2.83Å
198P96.4Very high95.6Very high0 Ų060.5 Ų60.50%032%0.321CS..G310 helixtrans-53.2-31.9173.8-27.635.8000113.1L153 E155 V158 E200 L201 M206L153-P198 HydrophobicContact CB-CB 3.99Å; L153-P198 HydrophobicContact CD1-CB 3.92Å; L153-P198 HydrophobicContact CG-CB 4.49Å; E155-P198 WeakPolarHBondContact O-CD 3.46Å; V158-P198 HydrophobicContact CG2-CG 4.37Å; P198-E200 VanDerWaalsContact C-N 3.25Å; P198-E200 PolarHBondContact O-N 3.06Å; P198-L201 WeakPolarHBondContact O-CB 3.48Å; P198-L201 WeakPolarHBondContact O-CG 3.47Å; P198-L201 PolarHBondContact O-N 3.4Å; P198-M206 WeakPolarHBondContact O-CG 3.35Å
199F94.3Very high95.7Very high139 Ų13958 Ų5861%0.6130%0.296SS*.G310 helixtrans-77-6-178.7-52.2-68.6000114.2S197S197-F199 PolarHBondContact O-N 3.42Å; S197-F199 VanDerWaalsContact O-N 3.1Å
200E96.1Very high95.7Very high145 Ų14558 Ų5868%0.67830%0.297SS*.G310 helixtrans-91.7-5.2172.8-67.3173.3160.800112.5S197 P198S197-E200 PolarHBondContact N-OE2 3.45Å; S197-E200 WeakPolarHBondContact O-CB 3.49Å; S197-E200 PolarHBondContact O-N 2.83Å; P198-E200 VanDerWaalsContact C-N 3.25Å; P198-E200 PolarHBondContact O-N 3.06Å
201L96.1Very high95.7Very high13 Ų1352.6 Ų52.67%0.06827%0.268CS..SBendtrans-88.2155.6-175.5-53.1-174000112.3V158 Y193 R196 P198 Q205 M206 V209V158-L201 HydrophobicContact CG2-CD1 3.8Å; Y193-L201 HydrophobicContact CD1-CD2 3.53Å; Y193-L201 HydrophobicContact CE1-CD2 3.91Å; R196-L201 HydrophobicContact CB-CD2 4.4Å; P198-L201 WeakPolarHBondContact O-CB 3.48Å; P198-L201 WeakPolarHBondContact O-CG 3.47Å; P198-L201 PolarHBondContact O-N 3.4Å; L201-Q205 HydrophobicContact CB-CB 3.86Å; L201-Q205 HydrophobicContact CD1-CB 4.33Å; L201-M206 HydrophobicContact CB-CG 3.76Å; L201-V209 HydrophobicContact CD1-CG2 3.7Å
202S93.7Very high95.7Very high63 Ų6347.7 Ų47.744%0.44125%0.245SC..  trans-66.5159.6167.267.70000111.4G204 Q205 M206S202-G204 VanDerWaalsContact C-N 3.31Å; S202-G204 PolarHBondContact O-N 2.64Å; S202-Q205 WeakPolarHBondContact O-CB 3.44Å; S202-Q205 PolarHBondContact O-N 3.14Å; S202-Q205 WeakPolarHBondContact OG-CB 3.41Å; S202-Q205 VanDerWaalsContact OG-CG 3.25Å; S202-Q205 WeakPolarHBondContact OG-CG 3.21Å; S202-Q205 PolarHBondContact OG-N 3.2Å; S202-Q205 PolarHBondContact OG-OE1 2.89Å; S202-M206 PolarHBondContact O-N 3.42Å
203G91.7Very high95.6Very high38 Ų3843 Ų4339%0.39223%0.227SC..Hα-helixtrans-53.9-42.8179.600000114.2M206 R207G203-M206 PolarHBondContact O-N 3Å; G203-R207 PolarHBondContact O-N 3.3Å
204G91.4Very high95.4Very high28 Ų2842.3 Ų42.329%0.28923%0.226SC..Hα-helixtrans-67-36.4176.400000113.3S202 R207 R208S202-G204 VanDerWaalsContact C-N 3.31Å; S202-G204 PolarHBondContact O-N 2.64Å; G204-R207 PolarHBondContact O-N 3.45Å; G204-R208 WeakPolarHBondContact O-CG 3.41Å; G204-R208 PolarHBondContact O-N 2.91Å; G204-R208 VanDerWaalsContact O-N 3.09Å
205Q94.5Very high95.2Very high46 Ų4641.8 Ų41.822%0.21522%0.223CC..Hα-helixtrans-69.2-43.6175.2-72.9165.2-31.900111.5L189 Y193 L201 S202 R207 R208 V209L189-Q205 HydrophobicContact CD2-CG 3.98Å; Y193-Q205 PolarHBondContact OH-NE2 3.35Å; L201-Q205 HydrophobicContact CB-CB 3.86Å; L201-Q205 HydrophobicContact CD1-CB 4.33Å; S202-Q205 WeakPolarHBondContact O-CB 3.44Å; S202-Q205 PolarHBondContact O-N 3.14Å; S202-Q205 WeakPolarHBondContact OG-CB 3.41Å; S202-Q205 VanDerWaalsContact OG-CG 3.25Å; S202-Q205 WeakPolarHBondContact OG-CG 3.21Å; S202-Q205 PolarHBondContact OG-N 3.2Å; S202-Q205 PolarHBondContact OG-OE1 2.89Å; Q205-R207 VanDerWaalsContact C-N 3.26Å; Q205-R207 PolarHBondContact O-N 3.29Å; Q205-R208 WeakPolarHBondContact O-CB 3.37Å; Q205-R208 PolarHBondContact O-N 2.91Å; Q205-R208 VanDerWaalsContact O-N 3.14Å; Q205-V209 WeakPolarHBondContact O-CG2 3.46Å; Q205-V209 PolarHBondContact O-N 3.15Å
206M95.7Very high95Very high42 Ų4234.5 Ų34.521%0.20719%0.189CC..Hα-helixtrans-56.5-43.3173.1-70.4-168.8-72.700111E150 L153 P198 L201 S202 G203 R208 V209 A210E150-M206 HydrophobicContact CB-CB 3.56Å; L153-M206 HydrophobicContact CD1-CB 3.69Å; L153-M206 HydrophobicContact CD1-CG 4.03Å; L153-M206 WeakPolarHBondContact CD1-O 3.11Å; P198-M206 WeakPolarHBondContact O-CG 3.35Å; L201-M206 HydrophobicContact CB-CG 3.76Å; S202-M206 PolarHBondContact O-N 3.42Å; G203-M206 PolarHBondContact O-N 3Å; M206-R208 PolarHBondContact O-N 3.28Å; M206-V209 PolarHBondContact O-N 2.88Å; M206-A210 PolarHBondContact O-N 3.12Å
207R95.3Very high94.6Very high6 Ų632.1 Ų32.12%0.02318%0.182CC..Hα-helixtrans-60.3-44.2176.4-174.8165.8-62.6176.89.7112.5P149 E150 G203 G204 Q205 V209 A210 I211 P227 A229 M239P149-R207 HydrophobicContact CG-CG 3.79Å; E150-R207 IonicContact OE1-CZ 3.7Å; E150-R207 IonicContact OE1-NE 2.8Å; E150-R207 IonicContact OE1-NH2 2.9Å; E150-R207 PolarHBondContact OE1-NH2 3.17Å; E150-R207 IonicContact OE2-CZ 3.5Å; E150-R207 IonicContact OE2-NE 3.63Å; E150-R207 PolarHBondContact OE2-NE 3.08Å; E150-R207 IonicContact OE2-NH2 3.65Å; E150-R207 PolarHBondContact OE2-NH2 2.83Å; G203-R207 PolarHBondContact O-N 3.3Å; G204-R207 PolarHBondContact O-N 3.45Å; Q205-R207 VanDerWaalsContact C-N 3.26Å; Q205-R207 PolarHBondContact O-N 3.29Å; R207-V209 PolarHBondContact O-N 3.34Å; R207-A210 PolarHBondContact O-N 3.34Å; R207-I211 HydrophobicContact CG-CD1 3.96Å; R207-I211 WeakPolarHBondContact O-CD1 3.43Å; R207-I211 VanDerWaalsContact O-CG1 3.29Å; R207-I211 WeakPolarHBondContact O-CG1 2.8Å; R207-I211 PolarHBondContact O-N 2.84Å; R207-P227 WeakPolarHBondContact CD-O 3.49Å; R207-P227 PolarHBondContact NH1-O 2.86Å; R207-A229 VanDerWaalsContact CZ-O 3.3Å; R207-A229 PolarHBondContact NH1-O 3.28Å; R207-A229 PolarHBondContact NH2-O 3.32Å; R207-M239 HydrophobicContact CB-CE 4.4Å; R207-M239 HydrophobicContact CG-CE 3.76Å; R207-M239 HydrophobicContact CG-SD 4.26Å
208R95.8Very high94.2Very high39 Ų3936.7 Ų36.715%0.14720%0.2CC..Hα-helixtrans-59.9-43.7175.1-73.1173.5-175.5-843.9111.4V187 L189 G204 Q205 M206 I211 A212 E238V187-R208 HydrophobicContact CB-CB 4.07Å; V187-R208 HydrophobicContact CG2-CB 3.96Å; V187-R208 WeakPolarHBondContact CG2-O 3.13Å; V187-R208 VanDerWaalsContact O-CD 3.31Å; V187-R208 WeakPolarHBondContact O-CD 3.42Å; V187-R208 PolarHBondContact O-NH1 3.13Å; L189-R208 HydrophobicContact CD1-CB 3.81Å; L189-R208 HydrophobicContact CG-CB 4.17Å; G204-R208 WeakPolarHBondContact O-CG 3.41Å; G204-R208 PolarHBondContact O-N 2.91Å; G204-R208 VanDerWaalsContact O-N 3.09Å; Q205-R208 WeakPolarHBondContact O-CB 3.37Å; Q205-R208 PolarHBondContact O-N 2.91Å; Q205-R208 VanDerWaalsContact O-N 3.14Å; M206-R208 PolarHBondContact O-N 3.28Å; R208-I211 PolarHBondContact O-N 2.87Å; R208-A212 PolarHBondContact O-N 3.08Å; R208-E238 IonicContact NH2-OE2 2.69Å; R208-E238 PolarHBondContact NH2-OE2 2.89Å; R208-E238 VanDerWaalsContact NH2-OE2 3.13Å
209V97.5Very high93.8Very high0 Ų037 Ų370%020%0.203CC..Hα-helixtrans-61.2-45.3175.8173.40000111.9L153 V158 I162 L184 L189 L201 Q205 M206 R207 I211 A212 G213L153-V209 HydrophobicContact CD1-CB 4.4Å; L153-V209 HydrophobicContact CD1-CG1 4.38Å; L153-V209 HydrophobicContact CD2-CB 4.39Å; L153-V209 HydrophobicContact CD2-CG1 3.78Å; V158-V209 HydrophobicContact CB-CG1 4.5Å; V158-V209 HydrophobicContact CG1-CB 4.47Å; V158-V209 HydrophobicContact CG1-CG1 3.88Å; V158-V209 HydrophobicContact CG1-CG2 3.72Å; V158-V209 HydrophobicContact CG2-CG1 4.43Å; V158-V209 HydrophobicContact CG2-CG2 4.09Å; I162-V209 HydrophobicContact CD1-CG1 4.28Å; I162-V209 HydrophobicContact CG1-CG1 4.06Å; L184-V209 HydrophobicContact CD1-CG2 4.3Å; L189-V209 HydrophobicContact CD1-CG2 3.76Å; L201-V209 HydrophobicContact CD1-CG2 3.7Å; Q205-V209 WeakPolarHBondContact O-CG2 3.46Å; Q205-V209 PolarHBondContact O-N 3.15Å; M206-V209 PolarHBondContact O-N 2.88Å; R207-V209 PolarHBondContact O-N 3.34Å; V209-I211 VanDerWaalsContact C-N 3.3Å; V209-I211 PolarHBondContact O-N 2.96Å; V209-A212 WeakPolarHBondContact O-CB 3.46Å; V209-A212 PolarHBondContact O-N 3.1Å; V209-A212 VanDerWaalsContact O-N 3.12Å; V209-G213 PolarHBondContact O-N 2.96Å
210A95.2Very high93.5Very high10 Ų1034.2 Ų34.28%0.08319%0.191CC..Hα-helixtrans-62-39.7178.600000111.8P149 L153 M206 R207 G213 V214P149-A210 HydrophobicContact CB-CB 3.78Å; P149-A210 HydrophobicContact CG-CB 4.17Å; P149-A210 WeakPolarHBondContact O-CB 3.23Å; L153-A210 HydrophobicContact CD2-CB 3.93Å; L153-A210 HydrophobicContact CG-CB 4.41Å; M206-A210 PolarHBondContact O-N 3.12Å; R207-A210 PolarHBondContact O-N 3.34Å; A210-G213 PolarHBondContact O-N 3Å; A210-V214 PolarHBondContact O-N 2.8Å
211I95.1Very high93.3Very high0 Ų027.6 Ų27.60%016%0.161CC..Hα-helixtrans-64.5-42.5174.1-66.7160.4000110.8V145 V187 R207 R208 V209 G213 V214 L215 M239 M242 F243V145-I211 HydrophobicContact CG1-CG1 3.89Å; V145-I211 HydrophobicContact CG2-CG1 4.23Å; V187-I211 HydrophobicContact CG1-CB 4.36Å; V187-I211 HydrophobicContact CG1-CG2 4.02Å; R207-I211 HydrophobicContact CG-CD1 3.96Å; R207-I211 WeakPolarHBondContact O-CD1 3.43Å; R207-I211 VanDerWaalsContact O-CG1 3.29Å; R207-I211 WeakPolarHBondContact O-CG1 2.8Å; R207-I211 PolarHBondContact O-N 2.84Å; R208-I211 PolarHBondContact O-N 2.87Å; V209-I211 VanDerWaalsContact C-N 3.3Å; V209-I211 PolarHBondContact O-N 2.96Å; I211-G213 VanDerWaalsContact C-N 3.29Å; I211-G213 PolarHBondContact O-N 3.29Å; I211-V214 WeakPolarHBondContact O-CB 3.43Å; I211-V214 PolarHBondContact O-N 3.15Å; I211-L215 HydrophobicContact CG2-CD1 3.87Å; I211-L215 HydrophobicContact CG2-CG 4.2Å; I211-L215 WeakPolarHBondContact O-CG 3.33Å; I211-L215 PolarHBondContact O-N 3.01Å; I211-M239 HydrophobicContact CD1-CE 4.16Å; I211-M239 HydrophobicContact CD1-SD 4.33Å; I211-M242 HydrophobicContact CD1-CE 4.06Å; I211-M242 HydrophobicContact CG2-CE 4.02Å; I211-F243 HydrophobicContact CD1-CE1 4.34Å; I211-F243 HydrophobicContact CD1-CZ 3.67Å; I211-F243 HydrophobicContact CG1-CZ 4.26Å; I211-F243 HydrophobicContact CG2-CE1 3.94Å; I211-F243 HydrophobicContact CG2-CZ 4.37Å
212A96.5Very high93.1Very high0 Ų027 Ų270%016%0.158CC..Hα-helixtrans-59.6-39.2176.700000112I162 N183 V187 R208 V209 V214 L215 A216I162-A212 HydrophobicContact CD1-CB 3.67Å; I162-A212 HydrophobicContact CG1-CB 3.95Å; I162-A212 HydrophobicContact CG2-CB 4.32Å; N183-A212 HydrophobicContact CB-CB 4.14Å; V187-A212 HydrophobicContact CG1-CB 3.86Å; V187-A212 HydrophobicContact CG2-CB 3.86Å; R208-A212 PolarHBondContact O-N 3.08Å; V209-A212 WeakPolarHBondContact O-CB 3.46Å; V209-A212 PolarHBondContact O-N 3.1Å; V209-A212 VanDerWaalsContact O-N 3.12Å; A212-V214 VanDerWaalsContact C-N 3.28Å; A212-V214 PolarHBondContact O-N 3.23Å; A212-L215 PolarHBondContact O-N 2.93Å; A212-A216 WeakPolarHBondContact O-CB 3.41Å; A212-A216 PolarHBondContact O-N 3.24Å
213G94.9Very high93.1Very high13 Ų1324 Ų2413%0.13414%0.137CC..Hα-helixtrans-60-35.9173.500000113.5V209 A210 I211V209-G213 PolarHBondContact O-N 2.96Å; A210-G213 PolarHBondContact O-N 3Å; I211-G213 VanDerWaalsContact C-N 3.29Å; I211-G213 PolarHBondContact O-N 3.29Å
214V92.9Very high93.2Very high15 Ų1522.2 Ų22.29%0.09112%0.118CC..Hα-helixtrans-71.6-44.6174.2178.90000111.4V145 A210 I211 A212 A216 M217 L222V145-V214 HydrophobicContact CG2-CB 4.27Å; V145-V214 HydrophobicContact CG2-CG1 4.24Å; V145-V214 HydrophobicContact CG2-CG2 4.18Å; A210-V214 PolarHBondContact O-N 2.8Å; I211-V214 WeakPolarHBondContact O-CB 3.43Å; I211-V214 PolarHBondContact O-N 3.15Å; A212-V214 VanDerWaalsContact C-N 3.28Å; A212-V214 PolarHBondContact O-N 3.23Å; V214-A216 VanDerWaalsContact C-N 3.31Å; V214-A216 PolarHBondContact O-N 3.34Å; V214-M217 HydrophobicContact CB-CE 4.45Å; V214-M217 HydrophobicContact CG1-CE 4.21Å; V214-M217 PolarHBondContact O-N 3.42Å; V214-L222 HydrophobicContact CG1-CD1 3.71Å
215L93.5Very high93.2Very high9 Ų921.8 Ų21.85%0.04711%0.109CC..Hα-helixtrans-66.4-31.9-179.7-67.2173.5000112.9N183 V187 I211 A212 M217 E218 P219 L222 L246 I252N183-L215 VanDerWaalsContact OD1-C 3.29Å; N183-L215 WeakPolarHBondContact OD1-CB 3.35Å; V187-L215 HydrophobicContact CG1-CD1 3.92Å; I211-L215 HydrophobicContact CG2-CD1 3.87Å; I211-L215 HydrophobicContact CG2-CG 4.2Å; I211-L215 WeakPolarHBondContact O-CG 3.33Å; I211-L215 PolarHBondContact O-N 3.01Å; A212-L215 PolarHBondContact O-N 2.93Å; L215-M217 PolarHBondContact O-N 2.81Å; L215-M217 VanDerWaalsContact O-N 3.1Å; L215-E218 WeakPolarHBondContact O-CA 3.17Å; L215-E218 PolarHBondContact O-N 2.91Å; L215-P219 WeakPolarHBondContact O-CD 3.36Å; L215-L222 HydrophobicContact CD2-CD1 4.43Å; L215-L222 HydrophobicContact CD2-CD2 3.95Å; L215-L246 HydrophobicContact CD1-CD1 3.71Å; L215-L246 HydrophobicContact CD1-CD2 4.33Å; L215-L246 HydrophobicContact CD2-CD1 4.39Å; L215-I252 HydrophobicContact CD2-CD1 4.4Å
216A93.9Very high93.2Very high2 Ų220.4 Ų20.42%0.01710%0.103CC..THydrogen-bonded Turntrans-61.4-19.6177.500000113.4I162 P166 N183 A212 V214 E218I162-A216 HydrophobicContact CG2-CB 3.72Å; P166-A216 HydrophobicContact CG-CB 3.79Å; P166-A216 WeakPolarHBondContact CG-O 3.16Å; N183-A216 HydrophobicContact CB-CB 4.33Å; N183-A216 WeakPolarHBondContact ND2-CA 3.37Å; N183-A216 PolarHBondContact OD1-N 3.21Å; A212-A216 WeakPolarHBondContact O-CB 3.41Å; A212-A216 PolarHBondContact O-N 3.24Å; V214-A216 VanDerWaalsContact C-N 3.31Å; V214-A216 PolarHBondContact O-N 3.34Å; A216-E218 PolarHBondContact O-N 2.89Å
217M88.3Confident93.1Very high36 Ų3618.5 Ų18.518%0.1779%0.093CC..THydrogen-bonded Turntrans-75.9-3.9172.5-60.9-172.4-74.900113.8K140 F169 V214 L215K140-M217 WeakPolarHBondContact CE-O 3.5Å; F169-M217 HydrophobicContact CD2-SD 4.27Å; F169-M217 HydrophobicContact CE2-CG 4.43Å; F169-M217 HydrophobicContact CE2-SD 3.64Å; V214-M217 HydrophobicContact CB-CE 4.45Å; V214-M217 HydrophobicContact CG1-CE 4.21Å; V214-M217 PolarHBondContact O-N 3.42Å; L215-M217 PolarHBondContact O-N 2.81Å; L215-M217 VanDerWaalsContact O-N 3.1Å
218E89.9Confident93Very high127 Ų12718.5 Ų18.559%0.5939%0.094SC*.  trans5558.5-175.7-56.7-179.9126.700113L215 A216L215-E218 WeakPolarHBondContact O-CA 3.17Å; L215-E218 PolarHBondContact O-N 2.91Å; A216-E218 PolarHBondContact O-N 2.89Å
219P88.3Confident92.9Very high7 Ų717.4 Ų17.45%0.0459%0.094CC..  trans-71.7139.8179.931.4-34.9000111.7K141 L215 V221K141-P219 CarbonylContact O-C 3.58Å; K141-P219 WeakPolarHBondContact O-CA 3.5Å; L215-P219 WeakPolarHBondContact O-CD 3.36Å; P219-V221 VanDerWaalsContact C-N 3.35Å
220E87.9Confident92.5Very high79 Ų7921.1 Ų21.137%0.36913%0.132SC..SBendtrans-78.5-26.6170.4-64.2162.5179.400110.8M70 K141 T253M70-E220 WeakPolarHBondContact CE-OE1 3.27Å; M70-E220 WeakPolarHBondContact CE-OE2 3.21Å; K141-E220 VanDerWaalsContact CD-OE2 3.27Å; K141-E220 WeakPolarHBondContact CD-OE2 3.39Å; K141-E220 WeakPolarHBondContact CE-OE1 3.49Å; K141-E220 WeakPolarHBondContact CE-OE2 3.45Å; K141-E220 WeakPolarHBondContact CG-OE2 3.37Å; K141-E220 IonicContact NZ-OE1 2.74Å; K141-E220 IonicContact NZ-OE2 3.11Å; K141-E220 PolarHBondContact O-N 3.03Å; E220-T253 PolarHBondContact O-N 3.35Å
221V90.6Very high92.3Very high7 Ų722.7 Ų22.74%0.04214%0.139CC..EExtended strand (participates in β ladder)trans-128125.2178.8-177.40000109.2I72 K141 V142 G143 P219 V223 T253 V255I72-V221 HydrophobicContact CD1-CB 4.25Å; I72-V221 HydrophobicContact CD1-CG1 3.75Å; I72-V221 HydrophobicContact CD1-CG2 3.83Å; K141-V221 PolarHBondContact O-N 2.9Å; V142-V221 CarbonylContact C-O 3.52Å; V142-V221 WeakPolarHBondContact CA-O 3.42Å; V142-V221 HydrophobicContact CG1-CB 4.46Å; V142-V221 HydrophobicContact CG1-CG1 4.4Å; V142-V221 HydrophobicContact CG2-CB 4.26Å; G143-V221 PolarHBondContact N-O 2.9Å; P219-V221 VanDerWaalsContact C-N 3.35Å; V221-V223 HydrophobicContact CG1-CG2 4.27Å; V221-T253 CarbonylContact C-O 3.54Å; V221-T253 WeakPolarHBondContact CA-O 3.21Å; V221-T253 HydrophobicContact CG1-CG2 4.34Å; V221-T253 HydrophobicContact CG2-CG2 4.43Å; V221-V255 HydrophobicContact CG1-CG2 4.05Å
222L92.8Very high92.2Very high0 Ų027.2 Ų27.20%016%0.163CC..EExtended strand (participates in β ladder)trans-113.8117176.2-176.169.8000110.3V145 V214 L215 L224 F243 I252 T253 I254 V255V145-L222 HydrophobicContact CG2-CD1 3.94Å; V214-L222 HydrophobicContact CG1-CD1 3.71Å; L215-L222 HydrophobicContact CD2-CD1 4.43Å; L215-L222 HydrophobicContact CD2-CD2 3.95Å; L222-L224 HydrophobicContact CD1-CD2 4.38Å; L222-L224 HydrophobicContact CD2-CD2 3.86Å; L222-L224 HydrophobicContact CG-CD2 3.74Å; L222-L224 HydrophobicContact CG-CG 4.37Å; L222-F243 HydrophobicContact CD2-CD1 3.92Å; L222-F243 HydrophobicContact CD2-CE1 3.95Å; L222-I252 HydrophobicContact CB-CG2 3.73Å; L222-T253 PolarHBondContact N-O 3.44Å; L222-I254 HydrophobicContact CB-CD1 3.93Å; L222-I254 HydrophobicContact CD2-CD1 4Å; L222-I254 HydrophobicContact CG-CD1 4.41Å; L222-I254 WeakPolarHBondContact O-CA 3.44Å; L222-V255 PolarHBondContact O-N 3.36Å
223V92.9Very high92Very high0 Ų032.8 Ų32.80%020%0.199CC..EExtended strand (participates in β ladder)trans-100.2127-179.5-179.30000109L119 L122 V142 G143 I144 V145 V221 V255L119-V223 HydrophobicContact CB-CG1 4.36Å; L119-V223 HydrophobicContact CD1-CG1 4.29Å; L119-V223 HydrophobicContact CD2-CG1 3.15Å; L119-V223 HydrophobicContact CG-CG1 4.12Å; L122-V223 HydrophobicContact CB-CG2 4.28Å; L122-V223 HydrophobicContact CD1-CG1 4.21Å; L122-V223 HydrophobicContact CD1-CG2 3.88Å; V142-V223 HydrophobicContact CG1-CG2 3.72Å; G143-V223 WeakPolarHBondContact O-CB 3.25Å; G143-V223 PolarHBondContact O-N 2.98Å; I144-V223 WeakPolarHBondContact CA-O 3.47Å; I144-V223 HydrophobicContact CB-CB 4.48Å; I144-V223 HydrophobicContact CG1-CB 3.95Å; I144-V223 HydrophobicContact CG1-CG1 4.3Å; I144-V223 HydrophobicContact CG1-CG2 4.33Å; V145-V223 PolarHBondContact N-O 2.7Å; V221-V223 HydrophobicContact CG1-CG2 4.27Å; V223-V255 CarbonylContact C-O 3.55Å; V223-V255 WeakPolarHBondContact CA-O 3.48Å; V223-V255 HydrophobicContact CB-CB 4.48Å; V223-V255 HydrophobicContact CG1-CB 4.42Å; V223-V255 HydrophobicContact CG2-CB 4.16Å; V223-V255 HydrophobicContact CG2-CG2 4.34Å
224L94.2Very high91.9Very high0 Ų037.2 Ų37.20%022%0.219CC..EExtended strand (participates in β ladder)trans-120.9111.1-173.3-54.1175.6000109.9V145 L222 P227 F243 I254 V255 L256 V257V145-L224 HydrophobicContact CB-CD2 3.84Å; V145-L224 HydrophobicContact CG2-CD2 3.79Å; L222-L224 HydrophobicContact CD1-CD2 4.38Å; L222-L224 HydrophobicContact CD2-CD2 3.86Å; L222-L224 HydrophobicContact CG-CD2 3.74Å; L222-L224 HydrophobicContact CG-CG 4.37Å; L224-P227 HydrophobicContact CB-CB 4.26Å; L224-P227 HydrophobicContact CB-CG 3.92Å; L224-P227 HydrophobicContact CD1-CG 4.39Å; L224-F243 HydrophobicContact CD1-CB 4.14Å; L224-F243 HydrophobicContact CD1-CD1 3.72Å; L224-F243 HydrophobicContact CD1-CD2 3.63Å; L224-F243 HydrophobicContact CD1-CE1 3.94Å; L224-F243 HydrophobicContact CD1-CE2 3.86Å; L224-F243 HydrophobicContact CD1-CG 3.55Å; L224-F243 HydrophobicContact CD1-CZ 3.99Å; L224-F243 HydrophobicContact CD2-CD1 4.04Å; L224-F243 HydrophobicContact CD2-CE1 3.47Å; L224-F243 VanDerWaalsContact CD2-CE1 3.47Å; L224-F243 HydrophobicContact CD2-CE2 4.22Å; L224-F243 HydrophobicContact CD2-CZ 3.57Å; L224-F243 HydrophobicContact CG-CE1 4.37Å; L224-F243 HydrophobicContact CG-CZ 4.4Å; L224-I254 HydrophobicContact CD1-CG2 3.86Å; L224-I254 HydrophobicContact CG-CG2 4.47Å; L224-V255 PolarHBondContact N-O 3.34Å; L224-L256 HydrophobicContact CB-CD1 4.16Å; L224-L256 HydrophobicContact CD1-CD1 4.48Å; L224-V257 PolarHBondContact O-N 3.33Å
225D92.2Very high91.9Very high19 Ų1937.1 Ų37.110%0.10222%0.221CC..EExtended strand (participates in β ladder)trans-94.799.5176.7-162.111.6000110.6L119 V145 Q147L119-D225 HydrophobicContact CD1-CB 3.63Å; L119-D225 VanDerWaalsContact CD1-CG 3.5Å; V145-D225 PolarHBondContact O-N 3.22Å; Q147-D225 VanDerWaalsContact CA-O 3.24Å; Q147-D225 WeakPolarHBondContact CA-O 3.31Å; Q147-D225 WeakPolarHBondContact CB-O 3.37Å; Q147-D225 PolarHBondContact N-O 3.39Å
226E92.9Very high92Very high17 Ų1739.6 Ų39.68%0.07923%0.23CC..SBendtrans4855.9-179.2-62.1-73.8-172.600113Q147 T228 A229 V257 T258 H259Q147-E226 HydrophobicContact CG-CB 4.01Å; E226-T228 PolarHBondContact O-N 2.92Å; E226-A229 HydrophobicContact CB-CB 4.18Å; E226-A229 VanDerWaalsContact O-CB 3.25Å; E226-A229 WeakPolarHBondContact O-CB 3.45Å; E226-A229 PolarHBondContact O-N 3.06Å; E226-V257 WeakPolarHBondContact CA-O 3.25Å; E226-V257 PolarHBondContact N-O 2.79Å; E226-T258 VanDerWaalsContact CD-CA 3.49Å; E226-T258 WeakPolarHBondContact OE1-CA 3.5Å; E226-T258 WeakPolarHBondContact OE2-CA 3.49Å; E226-T258 PolarHBondContact OE2-OG1 3.29Å; E226-H259 IonicContact OE1-CE1 3.64Å; E226-H259 IonicContact OE1-CG 2.71Å; E226-H259 PolarHBondContact OE1-N 3.46Å; E226-H259 IonicContact OE1-ND1 3.22Å; E226-H259 PolarHBondContact OE1-ND1 2.94Å; E226-H259 IonicContact OE2-CE1 3.83Å; E226-H259 IonicContact OE2-ND1 3.69Å; E226-H259 PolarHBondContact OE2-ND1 3.5Å
227P94.1Very high92Very high2 Ų245.3 Ų45.31%0.01325%0.254CS..THydrogen-bonded Turntrans-62.5-25.5-167.826.2-36.1000113.4R207 L224 M239 M240 F243 L256R207-P227 WeakPolarHBondContact CD-O 3.49Å; R207-P227 PolarHBondContact NH1-O 2.86Å; L224-P227 HydrophobicContact CB-CB 4.26Å; L224-P227 HydrophobicContact CB-CG 3.92Å; L224-P227 HydrophobicContact CD1-CG 4.39Å; P227-M239 HydrophobicContact CB-SD 4.44Å; P227-M240 HydrophobicContact CG-SD 4.32Å; P227-F243 HydrophobicContact CB-CE2 3.65Å; P227-F243 HydrophobicContact CB-CZ 4.17Å; P227-F243 HydrophobicContact CG-CE2 4.1Å; P227-L256 HydrophobicContact CG-CD1 3.73Å
228T94.3Very high92.3Very high6 Ų647.6 Ų47.64%0.03727%0.265CS..THydrogen-bonded Turntrans-93.63-176.756.80000113E226 G230 L231 R236 M239 M240E226-T228 PolarHBondContact O-N 2.92Å; T228-G230 PolarHBondContact O-N 2.84Å; T228-L231 WeakPolarHBondContact O-CB 3.47Å; T228-L231 PolarHBondContact O-N 2.98Å; T228-L231 VanDerWaalsContact O-N 3.11Å; T228-R236 HydrophobicContact CG2-CB 4.23Å; T228-R236 HydrophobicContact CG2-CG 3.79Å; T228-M239 HydrophobicContact CG2-CB 4.31Å; T228-M239 HydrophobicContact CG2-CG 4.34Å; T228-M240 HydrophobicContact CG2-CG 3.73Å; T228-M240 HydrophobicContact CG2-SD 3.61Å
229A92Very high92.6Very high17 Ų1741.8 Ų41.814%0.1424%0.238CC..THydrogen-bonded Turntrans-57.9127.2-177.600000112.2Q147 F148 R207 E226 L231Q147-A229 HydrophobicContact CG-CB 3.92Å; Q147-A229 VanDerWaalsContact NE2-CB 3.32Å; F148-A229 HydrophobicContact CE1-CB 4.32Å; F148-A229 HydrophobicContact CZ-CB 4.12Å; R207-A229 VanDerWaalsContact CZ-O 3.3Å; R207-A229 PolarHBondContact NH1-O 3.28Å; R207-A229 PolarHBondContact NH2-O 3.32Å; E226-A229 HydrophobicContact CB-CB 4.18Å; E226-A229 VanDerWaalsContact O-CB 3.25Å; E226-A229 WeakPolarHBondContact O-CB 3.45Å; E226-A229 PolarHBondContact O-N 3.06Å; A229-L231 VanDerWaalsContact C-N 3.27Å; A229-L231 PolarHBondContact O-N 2.91Å
230G90.5Very high93Very high77 Ų7741.4 Ų41.479%0.79424%0.235SC*.THydrogen-bonded Turntrans76.74.6178.800000115.3T228T228-G230 PolarHBondContact O-N 2.84Å
231L91.5Very high93.4Very high44 Ų4441.9 Ų41.923%0.2324%0.238CC..  trans-83.7156.6171-61.1-179.6000111.4T228 A229 M239T228-L231 WeakPolarHBondContact O-CB 3.47Å; T228-L231 PolarHBondContact O-N 2.98Å; T228-L231 VanDerWaalsContact O-N 3.11Å; A229-L231 VanDerWaalsContact C-N 3.27Å; A229-L231 PolarHBondContact O-N 2.91Å; L231-M239 HydrophobicContact CD1-CB 4.19Å; L231-M239 HydrophobicContact CD1-CE 3.82Å; L231-M239 HydrophobicContact CD1-SD 3.64Å
232D93Very high93.6Very high95 Ų9541.9 Ų41.951%0.50824%0.237SC..  trans-74168.3167.970.3-21.7000110.9L234 G235 R236D232-L234 VanDerWaalsContact C-N 3.28Å; D232-L234 PolarHBondContact O-N 3.49Å; D232-G235 PolarHBondContact O-N 2.8Å; D232-G235 WeakPolarHBondContact OD1-CA 3.34Å; D232-G235 PolarHBondContact OD1-N 2.77Å; D232-R236 WeakPolarHBondContact O-CB 3.42Å; D232-R236 PolarHBondContact O-N 2.95Å
233P92.2Very high93.8Very high117 Ų11741.9 Ų41.976%0.7624%0.237SC*.Hα-helixtrans-57.9-37.5-176.4-28.136.6000114.2K237P233-K237 PolarHBondContact O-N 3.24Å; P233-K237 VanDerWaalsContact O-N 3.15Å
234L92.7Very high94Very high105 Ų10547.2 Ų47.255%0.5526%0.257SS..Hα-helixtrans-69-49.8178.1-178.361.2000111D232 R236 K237 E238D232-L234 VanDerWaalsContact C-N 3.28Å; D232-L234 PolarHBondContact O-N 3.49Å; L234-R236 VanDerWaalsContact C-N 3.28Å; L234-R236 PolarHBondContact O-N 2.87Å; L234-K237 PolarHBondContact O-N 3.23Å; L234-K237 VanDerWaalsContact O-N 3.1Å; L234-E238 HydrophobicContact CD1-CG 4.4Å; L234-E238 WeakPolarHBondContact O-CG 3.18Å; L234-E238 PolarHBondContact O-N 3.49Å
235G92.9Very high94Very high14 Ų1451.6 Ų51.614%0.14427%0.274CS..Hα-helixtrans-61.5-35.6178.200000112.9D232 M239D232-G235 PolarHBondContact O-N 2.8Å; D232-G235 WeakPolarHBondContact OD1-CA 3.34Å; D232-G235 PolarHBondContact OD1-N 2.77Å; G235-M239 WeakPolarHBondContact O-CB 3.06Å; G235-M239 PolarHBondContact O-N 3.49Å
236R94.3Very high94Very high60 Ų6050.8 Ų50.823%0.22627%0.269CS..Hα-helixtrans-59.7-50.3171.3167.8169.7168.2-146.3-8.9111.3T228 D232 L234 M239 M240 D263T228-R236 HydrophobicContact CG2-CB 4.23Å; T228-R236 HydrophobicContact CG2-CG 3.79Å; D232-R236 WeakPolarHBondContact O-CB 3.42Å; D232-R236 PolarHBondContact O-N 2.95Å; L234-R236 VanDerWaalsContact C-N 3.28Å; L234-R236 PolarHBondContact O-N 2.87Å; R236-M239 PolarHBondContact O-N 3.45Å; R236-M240 WeakPolarHBondContact O-CG 3.29Å; R236-M240 PolarHBondContact O-N 2.77Å; R236-D263 IonicContact CZ-OD1 3.14Å; R236-D263 VanDerWaalsContact CZ-OD1 3.25Å; R236-D263 IonicContact CZ-OD2 3.65Å; R236-D263 VanDerWaalsContact NE-CG 3.31Å; R236-D263 IonicContact NE-OD1 3.13Å; R236-D263 PolarHBondContact NE-OD1 2.94Å; R236-D263 IonicContact NE-OD2 2.88Å; R236-D263 PolarHBondContact NE-OD2 3.38Å; R236-D263 IonicContact NH2-OD1 2.97Å; R236-D263 PolarHBondContact NH2-OD1 3.01Å; R236-D263 IonicContact NH2-OD2 3.68Å; R236-D263 PolarHBondContact NH2-OD2 2.86Å
237K94.4Very high94.2Very high122 Ų12250.2 Ų50.253%0.5327%0.267SS..Hα-helixtrans-59.4-51.8179.9-179.6177173176.40111.2P233 L234 M239 M240 E241P233-K237 PolarHBondContact O-N 3.24Å; P233-K237 VanDerWaalsContact O-N 3.15Å; L234-K237 PolarHBondContact O-N 3.23Å; L234-K237 VanDerWaalsContact O-N 3.1Å; K237-M239 VanDerWaalsContact C-N 3.26Å; K237-M239 PolarHBondContact O-N 2.99Å; K237-M240 PolarHBondContact O-N 2.76Å; K237-E241 WeakPolarHBondContact CE-OE1 3.16Å; K237-E241 HydrophobicContact CG-CG 4.41Å; K237-E241 IonicContact NZ-OE1 3.52Å; K237-E241 WeakPolarHBondContact O-CB 3.31Å; K237-E241 WeakPolarHBondContact O-CG 3.48Å; K237-E241 PolarHBondContact O-N 3.17Å
238E94.9Very high94.2Very high85 Ų8555.2 Ų55.240%0.39729%0.288SS..Hα-helixtrans-58.9-38.4179.5-69.5179.1177.800112.5R208 L234 M242R208-E238 IonicContact NH2-OE2 2.69Å; R208-E238 PolarHBondContact NH2-OE2 2.89Å; R208-E238 VanDerWaalsContact NH2-OE2 3.13Å; L234-E238 HydrophobicContact CD1-CG 4.4Å; L234-E238 WeakPolarHBondContact O-CG 3.18Å; L234-E238 PolarHBondContact O-N 3.49Å; E238-M242 WeakPolarHBondContact O-CB 3.37Å; E238-M242 PolarHBondContact O-N 3.11Å
239M95.3Very high94Very high4 Ų460.7 Ų60.72%0.0231%0.313CS..Hα-helixtrans-69.3-43.1179.2-176.2153.8-66.500112.3R207 I211 P227 T228 L231 G235 R236 K237 M242 F243R207-M239 HydrophobicContact CB-CE 4.4Å; R207-M239 HydrophobicContact CG-CE 3.76Å; R207-M239 HydrophobicContact CG-SD 4.26Å; I211-M239 HydrophobicContact CD1-CE 4.16Å; I211-M239 HydrophobicContact CD1-SD 4.33Å; P227-M239 HydrophobicContact CB-SD 4.44Å; T228-M239 HydrophobicContact CG2-CB 4.31Å; T228-M239 HydrophobicContact CG2-CG 4.34Å; L231-M239 HydrophobicContact CD1-CB 4.19Å; L231-M239 HydrophobicContact CD1-CE 3.82Å; L231-M239 HydrophobicContact CD1-SD 3.64Å; G235-M239 WeakPolarHBondContact O-CB 3.06Å; G235-M239 PolarHBondContact O-N 3.49Å; R236-M239 PolarHBondContact O-N 3.45Å; K237-M239 VanDerWaalsContact C-N 3.26Å; K237-M239 PolarHBondContact O-N 2.99Å; M239-M242 WeakPolarHBondContact O-CB 3.5Å; M239-M242 PolarHBondContact O-N 3.17Å; M239-F243 HydrophobicContact CG-CD2 4.11Å; M239-F243 HydrophobicContact CG-CE2 3.55Å; M239-F243 HydrophobicContact CG-CZ 4.39Å; M239-F243 WeakPolarHBondContact O-CD2 3.37Å; M239-F243 PolarHBondContact O-N 3.5Å; M239-F243 VanDerWaalsContact O-N 3.15Å; M239-F243 HydrophobicContact SD-CE2 4.3Å
240M97Very high93.9Very high0 Ų064.8 Ų64.80%033%0.328CS..Hα-helixtrans-67.2-41.1176.7-67.2-53.6-59.800111.9Y104 P227 T228 R236 K237 M242 F243 W244 L256 D263 F267Y104-M240 VanDerWaalsContact OH-CE 3.22Å; Y104-M240 WeakPolarHBondContact OH-CE 3.29Å; P227-M240 HydrophobicContact CG-SD 4.32Å; T228-M240 HydrophobicContact CG2-CG 3.73Å; T228-M240 HydrophobicContact CG2-SD 3.61Å; R236-M240 WeakPolarHBondContact O-CG 3.29Å; R236-M240 PolarHBondContact O-N 2.77Å; K237-M240 PolarHBondContact O-N 2.76Å; M240-M242 VanDerWaalsContact C-N 3.29Å; M240-M242 PolarHBondContact O-N 3.31Å; M240-F243 PolarHBondContact O-N 2.92Å; M240-W244 WeakPolarHBondContact O-CB 3.4Å; M240-W244 PolarHBondContact O-N 2.89Å; M240-L256 HydrophobicContact CE-CD1 4.32Å; M240-L256 HydrophobicContact CE-CD2 3.76Å; M240-D263 HydrophobicContact CE-CB 4.16Å; M240-F267 HydrophobicContact CB-CD2 3.99Å; M240-F267 HydrophobicContact CB-CE1 4.34Å; M240-F267 HydrophobicContact CB-CE2 3.37Å; M240-F267 HydrophobicContact CB-CZ 3.56Å; M240-F267 HydrophobicContact CE-CD2 3.66Å; M240-F267 HydrophobicContact CE-CE2 4.18Å; M240-F267 HydrophobicContact CE-CG 4.2Å; M240-F267 HydrophobicContact CG-CD2 4.43Å; M240-F267 HydrophobicContact CG-CE2 4.01Å
241E96Very high93.9Very high89 Ų8965.8 Ų65.842%0.41632%0.315SS..Hα-helixtrans-60.9-38.3173.7-74175.3168.200111.7K237 W244 R245K237-E241 WeakPolarHBondContact CE-OE1 3.16Å; K237-E241 HydrophobicContact CG-CG 4.41Å; K237-E241 IonicContact NZ-OE1 3.52Å; K237-E241 WeakPolarHBondContact O-CB 3.31Å; K237-E241 WeakPolarHBondContact O-CG 3.48Å; K237-E241 PolarHBondContact O-N 3.17Å; E241-W244 PolarHBondContact O-N 2.91Å; E241-R245 VanDerWaalsContact O-CB 3.29Å; E241-R245 WeakPolarHBondContact O-CB 3.29Å; E241-R245 PolarHBondContact O-N 3.23Å
242M95.6Very high93.9Very high6 Ų664.5 Ų64.53%0.0331%0.308CS..Hα-helixtrans-59.8-48.9173.7-178.3-164.276.700111.7V187 I211 E238 M239 M240 R245 L246V187-M242 HydrophobicContact CB-SD 3.97Å; V187-M242 HydrophobicContact CG1-SD 4.17Å; I211-M242 HydrophobicContact CD1-CE 4.06Å; I211-M242 HydrophobicContact CG2-CE 4.02Å; E238-M242 WeakPolarHBondContact O-CB 3.37Å; E238-M242 PolarHBondContact O-N 3.11Å; M239-M242 WeakPolarHBondContact O-CB 3.5Å; M239-M242 PolarHBondContact O-N 3.17Å; M240-M242 VanDerWaalsContact C-N 3.29Å; M240-M242 PolarHBondContact O-N 3.31Å; M242-R245 PolarHBondContact O-N 3.1Å; M242-L246 HydrophobicContact CE-CD1 4.4Å; M242-L246 HydrophobicContact CG-CD1 4.18Å; M242-L246 VanDerWaalsContact O-CG 3.29Å; M242-L246 WeakPolarHBondContact O-CG 3.12Å; M242-L246 PolarHBondContact O-N 3.06Å
243F96.9Very high93.9Very high0 Ų060.1 Ų60.10%029%0.285CS..Hα-helixtrans-65.7-39.8178-68.6-57.1000112.8I211 L222 L224 P227 M239 M240 R245 L246 H247I211-F243 HydrophobicContact CD1-CE1 4.34Å; I211-F243 HydrophobicContact CD1-CZ 3.67Å; I211-F243 HydrophobicContact CG1-CZ 4.26Å; I211-F243 HydrophobicContact CG2-CE1 3.94Å; I211-F243 HydrophobicContact CG2-CZ 4.37Å; L222-F243 HydrophobicContact CD2-CD1 3.92Å; L222-F243 HydrophobicContact CD2-CE1 3.95Å; L224-F243 HydrophobicContact CD1-CB 4.14Å; L224-F243 HydrophobicContact CD1-CD1 3.72Å; L224-F243 HydrophobicContact CD1-CD2 3.63Å; L224-F243 HydrophobicContact CD1-CE1 3.94Å; L224-F243 HydrophobicContact CD1-CE2 3.86Å; L224-F243 HydrophobicContact CD1-CG 3.55Å; L224-F243 HydrophobicContact CD1-CZ 3.99Å; L224-F243 HydrophobicContact CD2-CD1 4.04Å; L224-F243 HydrophobicContact CD2-CE1 3.47Å; L224-F243 VanDerWaalsContact CD2-CE1 3.47Å; L224-F243 HydrophobicContact CD2-CE2 4.22Å; L224-F243 HydrophobicContact CD2-CZ 3.57Å; L224-F243 HydrophobicContact CG-CE1 4.37Å; L224-F243 HydrophobicContact CG-CZ 4.4Å; P227-F243 HydrophobicContact CB-CE2 3.65Å; P227-F243 HydrophobicContact CB-CZ 4.17Å; P227-F243 HydrophobicContact CG-CE2 4.1Å; M239-F243 HydrophobicContact CG-CD2 4.11Å; M239-F243 HydrophobicContact CG-CE2 3.55Å; M239-F243 HydrophobicContact CG-CZ 4.39Å; M239-F243 WeakPolarHBondContact O-CD2 3.37Å; M239-F243 PolarHBondContact O-N 3.5Å; M239-F243 VanDerWaalsContact O-N 3.15Å; M239-F243 HydrophobicContact SD-CE2 4.3Å; M240-F243 PolarHBondContact O-N 2.92Å; F243-R245 VanDerWaalsContact C-N 3.34Å; F243-L246 HydrophobicContact CD1-CD1 4.3Å; F243-L246 PolarHBondContact O-N 3.22Å; F243-H247 WeakPolarHBondContact O-CB 3.42Å; F243-H247 PolarHBondContact O-N 2.99Å
244W96.5Very high94.1Very high113 Ų11354.5 Ų54.543%0.42825%0.249SC..Hα-helixtrans-62.3-43.2176-177.985000111.6M240 E241 H247 K248 F267M240-W244 WeakPolarHBondContact O-CB 3.4Å; M240-W244 PolarHBondContact O-N 2.89Å; E241-W244 PolarHBondContact O-N 2.91Å; W244-H247 WeakPolarHBondContact O-CB 3.33Å; W244-H247 PolarHBondContact O-N 3.41Å; W244-K248 HydrophobicContact CD2-CG 4.17Å; W244-K248 HydrophobicContact CE3-CG 4.46Å; W244-K248 HydrophobicContact CH2-CG 4.27Å; W244-K248 HydrophobicContact CZ2-CG 3.96Å; W244-K248 WeakPolarHBondContact O-CG 3.18Å; W244-K248 PolarHBondContact O-N 3.27Å; W244-F267 HydrophobicContact CB-CD1 3.7Å; W244-F267 HydrophobicContact CB-CE1 3.91Å; W244-F267 AromaticContact CD1-CD1 3.65Å; W244-F267 AromaticContact CG-CD1 3.8Å; W244-F267 HydrophobicContact CG-CD1 3.8Å; W244-F267 HydrophobicContact CG-CE1 4.16Å
245R95.6Very high94.3Very high92 Ų9249.5 Ų49.535%0.34722%0.223SC..Hα-helixtrans-61.3-48.2174.1-178.2178.662.5128.8-0.8111.7L186 E241 M242 F243 H247 K248 E249L186-R245 PolarHBondContact O-NH2 3.03Å; E241-R245 VanDerWaalsContact O-CB 3.29Å; E241-R245 WeakPolarHBondContact O-CB 3.29Å; E241-R245 PolarHBondContact O-N 3.23Å; M242-R245 PolarHBondContact O-N 3.1Å; F243-R245 VanDerWaalsContact C-N 3.34Å; R245-H247 VanDerWaalsContact C-N 3.29Å; R245-H247 PolarHBondContact O-N 3.25Å; R245-K248 PolarHBondContact O-N 3Å; R245-K248 VanDerWaalsContact O-N 3.17Å; R245-E249 WeakPolarHBondContact CD-OE1 3.49Å; R245-E249 HydrophobicContact CG-CG 4.02Å; R245-E249 WeakPolarHBondContact CG-OE1 3.48Å; R245-E249 WeakPolarHBondContact O-CB 3.5Å; R245-E249 WeakPolarHBondContact O-CG 2.83Å; R245-E249 PolarHBondContact O-N 2.87Å
246L92.7Very high94.4Very high1 Ų148.9 Ų48.91%0.00522%0.216CC..Hα-helixtrans-56.6-44.7176.7-74.2167.8000111.5L186 L215 M242 F243 K250L186-L246 HydrophobicContact CB-CD2 4.28Å; L186-L246 HydrophobicContact CD2-CD2 4.42Å; L215-L246 HydrophobicContact CD1-CD1 3.71Å; L215-L246 HydrophobicContact CD1-CD2 4.33Å; L215-L246 HydrophobicContact CD2-CD1 4.39Å; M242-L246 HydrophobicContact CE-CD1 4.4Å; M242-L246 HydrophobicContact CG-CD1 4.18Å; M242-L246 VanDerWaalsContact O-CG 3.29Å; M242-L246 WeakPolarHBondContact O-CG 3.12Å; M242-L246 PolarHBondContact O-N 3.06Å; F243-L246 HydrophobicContact CD1-CD1 4.3Å; F243-L246 PolarHBondContact O-N 3.22Å; L246-K250 WeakPolarHBondContact O-CB 3.47Å; L246-K250 PolarHBondContact O-N 3.45Å
247H95.3Very high94.5Very high5 Ų546 Ų462%0.02321%0.205CC..Hα-helixtrans-58.1-49175.1165.363.2000112.2G102 Y104 F243 W244 R245 N251 I252 I254G102-H247 PolarHBondContact O-CE1 2.82Å; G102-H247 VanDerWaalsContact O-CE1 3.24Å; Y104-H247 HydrophobicContact CD2-CB 4.34Å; F243-H247 WeakPolarHBondContact O-CB 3.42Å; F243-H247 PolarHBondContact O-N 2.99Å; W244-H247 WeakPolarHBondContact O-CB 3.33Å; W244-H247 PolarHBondContact O-N 3.41Å; R245-H247 VanDerWaalsContact C-N 3.29Å; R245-H247 PolarHBondContact O-N 3.25Å; H247-N251 WeakPolarHBondContact O-CA 3.45Å; H247-N251 PolarHBondContact O-N 3.48Å; H247-I252 PolarHBondContact ND1-O 3.03Å; H247-I254 HydrophobicContact CB-CD1 4.41Å; H247-I254 HydrophobicContact CB-CG1 3.73Å
248K94.5Very high94.4Very high107 Ų10740.2 Ų40.247%0.46518%0.18SC..Hα-helixtrans-71.3-39.8-178.6-65.7-56-179.9-155.20113.6W244 R245W244-K248 HydrophobicContact CD2-CG 4.17Å; W244-K248 HydrophobicContact CE3-CG 4.46Å; W244-K248 HydrophobicContact CH2-CG 4.27Å; W244-K248 HydrophobicContact CZ2-CG 3.96Å; W244-K248 WeakPolarHBondContact O-CG 3.18Å; W244-K248 PolarHBondContact O-N 3.27Å; R245-K248 PolarHBondContact O-N 3Å; R245-K248 VanDerWaalsContact O-N 3.17Å
249E91.4Very high94.1Very high121 Ų12141.6 Ų41.657%0.56519%0.186SC*.Hα-helixtrans-81-36.3-175.3-69.5178.9-179.400113R245R245-E249 WeakPolarHBondContact CD-OE1 3.49Å; R245-E249 HydrophobicContact CG-CG 4.02Å; R245-E249 WeakPolarHBondContact CG-OE1 3.48Å; R245-E249 WeakPolarHBondContact O-CB 3.5Å; R245-E249 WeakPolarHBondContact O-CG 2.83Å; R245-E249 PolarHBondContact O-N 2.87Å
250K89.3Confident93.9Very high104 Ų10443.4 Ų43.445%0.45220%0.195SC..Hα-helixtrans-106.60.2-175.6-60.5-78.5-168.1164.90113.2E182 L246 I252E182-K250 IonicContact OE1-NZ 2.62Å; E182-K250 PolarHBondContact OE1-NZ 3.34Å; L246-K250 WeakPolarHBondContact O-CB 3.47Å; L246-K250 PolarHBondContact O-N 3.45Å; K250-I252 HydrophobicContact CB-CD1 3.84Å; K250-I252 HydrophobicContact CB-CG1 3.82Å; K250-I252 PolarHBondContact O-N 3.23Å
251N90.5Very high93.8Very high98 Ų9843.8 Ų43.852%0.52420%0.197SC..  trans53.833.5-175.6-163.649.6000113.3H247H247-N251 WeakPolarHBondContact O-CA 3.45Å; H247-N251 PolarHBondContact O-N 3.48Å
252I91.7Very high93.8Very high16 Ų1641 Ų418%0.08219%0.185CC..  trans-75.3134.1178.6-66.4170.9000108.8L215 L222 H247 K250 I254L215-I252 HydrophobicContact CD2-CD1 4.4Å; L222-I252 HydrophobicContact CB-CG2 3.73Å; H247-I252 PolarHBondContact ND1-O 3.03Å; K250-I252 HydrophobicContact CB-CD1 3.84Å; K250-I252 HydrophobicContact CB-CG1 3.82Å; K250-I252 PolarHBondContact O-N 3.23Å; I252-I254 HydrophobicContact CG2-CD1 4.09Å; I252-I254 PolarHBondContact O-N 3.14Å
253T93.3Very high93.8Very high3 Ų341.1 Ų41.12%0.01819%0.186CC..EExtended strand (participates in β ladder)trans-72.6126.5171-53.50000109.3I99 K100 G102 E220 V221 L222I99-T253 HydrophobicContact CG2-CG2 3.75Å; K100-T253 WeakPolarHBondContact O-CG2 3.32Å; G102-T253 PolarHBondContact N-OG1 3.46Å; E220-T253 PolarHBondContact O-N 3.35Å; V221-T253 CarbonylContact C-O 3.54Å; V221-T253 WeakPolarHBondContact CA-O 3.21Å; V221-T253 HydrophobicContact CG1-CG2 4.34Å; V221-T253 HydrophobicContact CG2-CG2 4.43Å; L222-T253 PolarHBondContact N-O 3.44Å
254I96.2Very high93.8Very high0 Ų041.1 Ų41.10%019%0.186CC..EExtended strand (participates in β ladder)trans-104.6132.8178.1-58.3-64.4000110.2S103 Y104 T105 L222 L224 H247 I252 L256S103-I254 PolarHBondContact O-N 2.87Å; Y104-I254 HydrophobicContact CD1-CB 4.14Å; Y104-I254 HydrophobicContact CD1-CG2 3.97Å; Y104-I254 HydrophobicContact CD2-CB 3.79Å; Y104-I254 HydrophobicContact CD2-CG1 3.87Å; Y104-I254 HydrophobicContact CD2-CG2 4.13Å; Y104-I254 HydrophobicContact CE1-CB 4.24Å; Y104-I254 HydrophobicContact CE1-CG2 3.62Å; Y104-I254 HydrophobicContact CE2-CB 3.92Å; Y104-I254 HydrophobicContact CE2-CG1 3.87Å; Y104-I254 HydrophobicContact CE2-CG2 3.79Å; Y104-I254 HydrophobicContact CG-CB 3.91Å; Y104-I254 HydrophobicContact CG-CG1 4.48Å; Y104-I254 HydrophobicContact CG-CG2 4.22Å; T105-I254 PolarHBondContact N-O 2.97Å; L222-I254 HydrophobicContact CB-CD1 3.93Å; L222-I254 HydrophobicContact CD2-CD1 4Å; L222-I254 HydrophobicContact CG-CD1 4.41Å; L222-I254 WeakPolarHBondContact O-CA 3.44Å; L224-I254 HydrophobicContact CD1-CG2 3.86Å; L224-I254 HydrophobicContact CG-CG2 4.47Å; H247-I254 HydrophobicContact CB-CD1 4.41Å; H247-I254 HydrophobicContact CB-CG1 3.73Å; I252-I254 HydrophobicContact CG2-CD1 4.09Å; I252-I254 PolarHBondContact O-N 3.14Å; I254-L256 HydrophobicContact CG2-CB 4.45Å
255V95.6Very high93.8Very high0 Ų036.3 Ų36.30%017%0.17CC..EExtended strand (participates in β ladder)trans-116.599.9167.3-171.60000108.8I99 T105 L107 L119 L122 V221 L222 V223 L224I99-V255 HydrophobicContact CD1-CG1 4.08Å; I99-V255 HydrophobicContact CD1-CG2 3.58Å; I99-V255 HydrophobicContact CG2-CG2 3.95Å; T105-V255 CarbonylContact O-C 3.55Å; T105-V255 VanDerWaalsContact O-CA 3.29Å; T105-V255 WeakPolarHBondContact O-CA 3.44Å; L107-V255 HydrophobicContact CD1-CG1 3.61Å; L107-V255 HydrophobicContact CG-CG1 4.3Å; L119-V255 HydrophobicContact CD2-CG1 4.4Å; L122-V255 HydrophobicContact CD1-CB 4.37Å; L122-V255 HydrophobicContact CD1-CG1 3.91Å; L122-V255 HydrophobicContact CD1-CG2 4.36Å; V221-V255 HydrophobicContact CG1-CG2 4.05Å; L222-V255 PolarHBondContact O-N 3.36Å; V223-V255 CarbonylContact C-O 3.55Å; V223-V255 WeakPolarHBondContact CA-O 3.48Å; V223-V255 HydrophobicContact CB-CB 4.48Å; V223-V255 HydrophobicContact CG1-CB 4.42Å; V223-V255 HydrophobicContact CG2-CB 4.16Å; V223-V255 HydrophobicContact CG2-CG2 4.34Å; L224-V255 PolarHBondContact N-O 3.34Å
256L96.7Very high93.8Very high1 Ų135.8 Ų35.81%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-92122.2-179.7176.666.3000110.7Y104 T105 A106 L107 L224 P227 M240 I254 T258 D263Y104-L256 HydrophobicContact CE1-CB 3.78Å; Y104-L256 HydrophobicContact CE1-CD2 4.02Å; T105-L256 PolarHBondContact O-N 3.09Å; A106-L256 CarbonylContact C-O 3.52Å; A106-L256 VanDerWaalsContact CA-O 3.23Å; A106-L256 WeakPolarHBondContact CA-O 3.28Å; L107-L256 PolarHBondContact N-O 3.13Å; L224-L256 HydrophobicContact CB-CD1 4.16Å; L224-L256 HydrophobicContact CD1-CD1 4.48Å; P227-L256 HydrophobicContact CG-CD1 3.73Å; M240-L256 HydrophobicContact CE-CD1 4.32Å; M240-L256 HydrophobicContact CE-CD2 3.76Å; I254-L256 HydrophobicContact CG2-CB 4.45Å; L256-T258 HydrophobicContact CD2-CG2 3.83Å; L256-T258 HydrophobicContact CG-CG2 3.96Å; L256-D263 HydrophobicContact CD2-CB 4.5Å
257V94.6Very high94.1Very high0 Ų037.3 Ų37.30%018%0.181CC..EExtended strand (participates in β ladder)trans-102.4116.9168-176.10000108.4L107 K115 L119 L224 E226L107-V257 HydrophobicContact CB-CG2 4.05Å; L107-V257 HydrophobicContact CD1-CG2 4.14Å; L107-V257 WeakPolarHBondContact O-CA 3.37Å; K115-V257 HydrophobicContact CB-CG1 3.77Å; K115-V257 HydrophobicContact CD-CG1 3.77Å; K115-V257 HydrophobicContact CG-CG1 4.31Å; L119-V257 HydrophobicContact CD1-CB 4.07Å; L119-V257 HydrophobicContact CD1-CG1 4.44Å; L119-V257 HydrophobicContact CD1-CG2 3.47Å; L119-V257 VanDerWaalsContact CD1-CG2 3.47Å; L119-V257 HydrophobicContact CD2-CB 4.49Å; L119-V257 HydrophobicContact CD2-CG2 3.15Å; L119-V257 HydrophobicContact CG-CG2 3.53Å; L224-V257 PolarHBondContact O-N 3.33Å; E226-V257 WeakPolarHBondContact CA-O 3.25Å; E226-V257 PolarHBondContact N-O 2.79Å
258T92.2Very high94.2Very high0 Ų037.5 Ų37.50%018%0.183CC..  trans-152.2159.1178.7-167.10000113.1L107 E226 L256 L260 V264L107-T258 PolarHBondContact O-N 3.33Å; E226-T258 VanDerWaalsContact CD-CA 3.49Å; E226-T258 WeakPolarHBondContact OE1-CA 3.5Å; E226-T258 WeakPolarHBondContact OE2-CA 3.49Å; E226-T258 PolarHBondContact OE2-OG1 3.29Å; L256-T258 HydrophobicContact CD2-CG2 3.83Å; L256-T258 HydrophobicContact CG-CG2 3.96Å; T258-L260 WeakPolarHBondContact OG1-CB 3.26Å; T258-L260 PolarHBondContact OG1-N 3.22Å; T258-V264 HydrophobicContact CG2-CG2 3.47Å; T258-V264 VanDerWaalsContact CG2-CG2 3.47Å
259H89.3Confident94.3Very high114 Ų11436.3 Ų36.353%0.52818%0.182SC..SBendtrans-103.25.1164.466.1-74000112.6E226 M261E226-H259 IonicContact OE1-CE1 3.64Å; E226-H259 IonicContact OE1-CG 2.71Å; E226-H259 PolarHBondContact OE1-N 3.46Å; E226-H259 IonicContact OE1-ND1 3.22Å; E226-H259 PolarHBondContact OE1-ND1 2.94Å; E226-H259 IonicContact OE2-CE1 3.83Å; E226-H259 IonicContact OE2-ND1 3.69Å; E226-H259 PolarHBondContact OE2-ND1 3.5Å; H259-M261 WeakPolarHBondContact O-CE 3.28Å
260L91.8Very high94.6Very high41 Ų4134 Ų3422%0.21517%0.169CC..  trans-95.598.9-178.7-59.1176.6000110.8T258 D262 D263 V264T258-L260 WeakPolarHBondContact OG1-CB 3.26Å; T258-L260 PolarHBondContact OG1-N 3.22Å; L260-D262 VanDerWaalsContact C-N 3.3Å; L260-D262 PolarHBondContact O-N 3.04Å; L260-D263 HydrophobicContact CB-CB 4.36Å; L260-D263 PolarHBondContact O-N 3.44Å; L260-D263 VanDerWaalsContact O-N 3.11Å; L260-V264 PolarHBondContact O-N 2.92Å
261M94.2Very high95Very high8 Ų829 Ų294%0.03915%0.147CC..Hα-helixtrans-68.7-27.2-173-56.2-58.1145.700113.7V108 H259 D263 V264 A265 F289 L300 G301 P303V108-M261 HydrophobicContact CB-CE 4.15Å; V108-M261 HydrophobicContact CG1-CE 4.26Å; V108-M261 HydrophobicContact CG1-SD 4.27Å; H259-M261 WeakPolarHBondContact O-CE 3.28Å; M261-D263 VanDerWaalsContact C-N 3.31Å; M261-D263 PolarHBondContact O-N 3.31Å; M261-V264 PolarHBondContact O-N 2.76Å; M261-A265 WeakPolarHBondContact O-CB 3.37Å; M261-A265 PolarHBondContact O-N 2.97Å; M261-F289 HydrophobicContact CB-CE1 4.1Å; M261-F289 HydrophobicContact CB-CZ 4.14Å; M261-F289 HydrophobicContact CG-CE1 4.1Å; M261-F289 HydrophobicContact CG-CZ 4.44Å; M261-F289 HydrophobicContact SD-CE1 3.59Å; M261-F289 VanDerWaalsContact SD-CE1 3.59Å; M261-F289 HydrophobicContact SD-CZ 3.8Å; M261-L300 HydrophobicContact CE-CB 4.48Å; M261-L300 HydrophobicContact CE-CD2 4.02Å; M261-G301 WeakPolarHBondContact CG-O 3.33Å; M261-P303 HydrophobicContact CB-CG 4.12Å
262D95.4Very high95.2Very high30 Ų3024.9 Ų24.916%0.1612%0.124CC..Hα-helixtrans-62.8-39.3172.6-59.8-57.9000111L260 A265 N266 P303 Q304L260-D262 VanDerWaalsContact C-N 3.3Å; L260-D262 PolarHBondContact O-N 3.04Å; D262-A265 PolarHBondContact O-N 3.06Å; D262-N266 WeakPolarHBondContact O-CB 3.46Å; D262-N266 PolarHBondContact O-N 3.3Å; D262-N266 PolarHBondContact O-ND2 3.38Å; D262-P303 WeakPolarHBondContact OD1-CA 3.37Å; D262-Q304 PolarHBondContact OD1-N 2.81Å; D262-Q304 PolarHBondContact OD2-NE2 3.21Å
263D95.9Very high95.4Very high9 Ų924.1 Ų24.15%0.04812%0.121CC..Hα-helixtrans-66.9-40.9176.9-69.9-15.9000110.5R236 M240 L256 L260 M261 A265 N266 F267R236-D263 IonicContact CZ-OD1 3.14Å; R236-D263 VanDerWaalsContact CZ-OD1 3.25Å; R236-D263 IonicContact CZ-OD2 3.65Å; R236-D263 VanDerWaalsContact NE-CG 3.31Å; R236-D263 IonicContact NE-OD1 3.13Å; R236-D263 PolarHBondContact NE-OD1 2.94Å; R236-D263 IonicContact NE-OD2 2.88Å; R236-D263 PolarHBondContact NE-OD2 3.38Å; R236-D263 IonicContact NH2-OD1 2.97Å; R236-D263 PolarHBondContact NH2-OD1 3.01Å; R236-D263 IonicContact NH2-OD2 3.68Å; R236-D263 PolarHBondContact NH2-OD2 2.86Å; M240-D263 HydrophobicContact CE-CB 4.16Å; L256-D263 HydrophobicContact CD2-CB 4.5Å; L260-D263 HydrophobicContact CB-CB 4.36Å; L260-D263 PolarHBondContact O-N 3.44Å; L260-D263 VanDerWaalsContact O-N 3.11Å; M261-D263 VanDerWaalsContact C-N 3.31Å; M261-D263 PolarHBondContact O-N 3.31Å; D263-A265 PolarHBondContact O-N 3.37Å; D263-N266 PolarHBondContact O-N 2.94Å; D263-F267 HydrophobicContact CB-CD2 4.43Å; D263-F267 WeakPolarHBondContact O-CD2 3.47Å; D263-F267 PolarHBondContact O-N 3.36Å; D263-F267 VanDerWaalsContact O-N 3.08Å
264V97Very high95.5Very high0 Ų024.1 Ų24.10%012%0.12CC..Hα-helixtrans-62.2-46176.7-178.40000111A106 V108 T258 L260 M261 N266 A268 V271 F289A106-V264 HydrophobicContact CB-CB 4.39Å; A106-V264 HydrophobicContact CB-CG1 3.7Å; A106-V264 HydrophobicContact CB-CG2 3.96Å; V108-V264 HydrophobicContact CG1-CG2 3.72Å; T258-V264 HydrophobicContact CG2-CG2 3.47Å; T258-V264 VanDerWaalsContact CG2-CG2 3.47Å; L260-V264 PolarHBondContact O-N 2.92Å; M261-V264 PolarHBondContact O-N 2.76Å; V264-N266 VanDerWaalsContact C-N 3.34Å; V264-N266 PolarHBondContact O-N 3.29Å; V264-A268 HydrophobicContact CG1-CB 4Å; V264-A268 VanDerWaalsContact O-CB 3.26Å; V264-A268 WeakPolarHBondContact O-CB 3.43Å; V264-A268 PolarHBondContact O-N 3.42Å; V264-V271 HydrophobicContact CG1-CB 4.48Å; V264-V271 HydrophobicContact CG1-CG1 4.17Å; V264-V271 HydrophobicContact CG1-CG2 3.46Å; V264-V271 VanDerWaalsContact CG1-CG2 3.46Å; V264-F289 HydrophobicContact CB-CE2 4.21Å; V264-F289 HydrophobicContact CB-CZ 4Å; V264-F289 HydrophobicContact CG1-CE2 3.79Å; V264-F289 HydrophobicContact CG1-CZ 3.76Å
265A96.7Very high95.3Very high12 Ų1226 Ų2610%0.09913%0.129CC..Hα-helixtrans-62.9-37.4179.600000113.3M261 D262 D263 F289 P303 L324 T325M261-A265 WeakPolarHBondContact O-CB 3.37Å; M261-A265 PolarHBondContact O-N 2.97Å; D262-A265 PolarHBondContact O-N 3.06Å; D263-A265 PolarHBondContact O-N 3.37Å; A265-F289 HydrophobicContact CB-CE2 4.48Å; A265-P303 HydrophobicContact CB-CB 4.08Å; A265-P303 HydrophobicContact CB-CG 3.69Å; A265-L324 HydrophobicContact CB-CB 3.91Å; A265-T325 HydrophobicContact CB-CG2 4.43Å
266N96.3Very high95.2Very high81 Ų8133 Ų3343%0.43316%0.16SC..Hα-helixtrans-82.9-27.7-176.5-76.4-73.1000113.8D262 D263 V264 T325D262-N266 WeakPolarHBondContact O-CB 3.46Å; D262-N266 PolarHBondContact O-N 3.3Å; D262-N266 PolarHBondContact O-ND2 3.38Å; D263-N266 PolarHBondContact O-N 2.94Å; V264-N266 VanDerWaalsContact C-N 3.34Å; V264-N266 PolarHBondContact O-N 3.29Å; N266-T325 WeakPolarHBondContact OD1-CG2 3.5Å
267F97.3Very high94.9Very high34 Ų3433 Ų3315%0.14916%0.16CC..Hα-helixtrans-121.9-27.6-167.9-59.6-70.3000115.3Y104 M240 W244 D263Y104-F267 WeakPolarHBondContact CB-O 3.18Å; Y104-F267 HydrophobicContact CE1-CB 4.05Å; Y104-F267 HydrophobicContact CE2-CB 4.16Å; Y104-F267 VanDerWaalsContact CG-O 3.22Å; M240-F267 HydrophobicContact CB-CD2 3.99Å; M240-F267 HydrophobicContact CB-CE1 4.34Å; M240-F267 HydrophobicContact CB-CE2 3.37Å; M240-F267 HydrophobicContact CB-CZ 3.56Å; M240-F267 HydrophobicContact CE-CD2 3.66Å; M240-F267 HydrophobicContact CE-CE2 4.18Å; M240-F267 HydrophobicContact CE-CG 4.2Å; M240-F267 HydrophobicContact CG-CD2 4.43Å; M240-F267 HydrophobicContact CG-CE2 4.01Å; W244-F267 HydrophobicContact CB-CD1 3.7Å; W244-F267 HydrophobicContact CB-CE1 3.91Å; W244-F267 AromaticContact CD1-CD1 3.65Å; W244-F267 AromaticContact CG-CD1 3.8Å; W244-F267 HydrophobicContact CG-CD1 3.8Å; W244-F267 HydrophobicContact CG-CE1 4.16Å; D263-F267 HydrophobicContact CB-CD2 4.43Å; D263-F267 WeakPolarHBondContact O-CD2 3.47Å; D263-F267 PolarHBondContact O-N 3.36Å; D263-F267 VanDerWaalsContact O-N 3.08Å
268A97.5Very high95Very high8 Ų837.3 Ų37.37%0.06618%0.18CC..  trans-85.5140.5-17300000112.2Y104 A106 V264 V271 P285Y104-A268 HydrophobicContact CD1-CB 4.21Å; Y104-A268 CarbonylContact O-C 3.48Å; Y104-A268 WeakPolarHBondContact O-CA 3.42Å; A106-A268 HydrophobicContact CB-CB 3.78Å; V264-A268 HydrophobicContact CG1-CB 4Å; V264-A268 VanDerWaalsContact O-CB 3.26Å; V264-A268 WeakPolarHBondContact O-CB 3.43Å; V264-A268 PolarHBondContact O-N 3.42Å; A268-V271 HydrophobicContact CB-CG2 4.47Å; A268-P285 WeakPolarHBondContact O-CG 3.45Å
269D96.5Very high95.1Very high82 Ų8239.1 Ų39.144%0.43919%0.191SC..SBendtrans-92.1-22.2171-50.3-60.3000111.6Y104Y104-D269 WeakPolarHBondContact CB-OD2 3.41Å; Y104-D269 PolarHBondContact N-OD2 2.76Å; Y104-D269 PolarHBondContact O-N 3.45Å
270Y97.7Very high95.3Very high73 Ų7335.7 Ų35.729%0.28618%0.182SC..EExtended strand (participates in β ladder)trans-145.5146.5-178.6-153.7-96.8000111.2Y104 T105 A106 Y272 H282Y104-Y270 PolarHBondContact O-N 3.36Å; T105-Y270 CarbonylContact C-O 3.56Å; T105-Y270 WeakPolarHBondContact CA-O 3.35Å; A106-Y270 PolarHBondContact N-O 2.84Å; Y270-Y272 AromaticContact CD1-CD2 3.93Å; Y270-Y272 HydrophobicContact CD1-CD2 3.93Å; Y270-Y272 AromaticContact CD1-CE2 3.51Å; Y270-Y272 HydrophobicContact CD1-CE2 3.51Å; Y270-Y272 AromaticContact CD1-CZ 3.96Å; Y270-Y272 HydrophobicContact CE1-CD2 4.13Å; Y270-Y272 HydrophobicContact CE1-CE1 4.05Å; Y270-Y272 AromaticContact CE1-CE2 3.55Å; Y270-Y272 HydrophobicContact CE1-CE2 3.55Å; Y270-Y272 AromaticContact CE1-CZ 3.48Å; Y270-Y272 VanDerWaalsContact CE1-CZ 3.48Å; Y270-H282 HydrophobicContact CE1-CB 4.05Å; Y270-H282 AromaticContact CZ-ND1 3.8Å; Y270-H282 PolarHBondContact OH-ND1 2.75Å
271V97.6Very high95.5Very high0 Ų036.2 Ų36.20%018%0.183CC..EExtended strand (participates in β ladder)trans-132.5133.5-175.7-172.10000109.8A106 V108 V264 A268 H282 G283 P285 V288A106-V271 HydrophobicContact CB-CG1 4.49Å; A106-V271 HydrophobicContact CB-CG2 4.42Å; A106-V271 CarbonylContact O-C 3.45Å; A106-V271 WeakPolarHBondContact O-CA 3.39Å; V108-V271 HydrophobicContact CG1-CG1 4.26Å; V108-V271 HydrophobicContact CG2-CG1 3.84Å; V264-V271 HydrophobicContact CG1-CB 4.48Å; V264-V271 HydrophobicContact CG1-CG1 4.17Å; V264-V271 HydrophobicContact CG1-CG2 3.46Å; V264-V271 VanDerWaalsContact CG1-CG2 3.46Å; A268-V271 HydrophobicContact CB-CG2 4.47Å; V271-H282 CarbonylContact O-C 3.57Å; V271-H282 WeakPolarHBondContact O-CA 3.36Å; V271-H282 WeakPolarHBondContact O-CB 3.47Å; V271-G283 PolarHBondContact N-O 3.17Å; V271-G283 PolarHBondContact O-N 3.34Å; V271-P285 HydrophobicContact CG2-CB 4.36Å; V271-P285 HydrophobicContact CG2-CG 4.03Å; V271-V288 HydrophobicContact CB-CB 4.47Å; V271-V288 HydrophobicContact CB-CG2 4.1Å; V271-V288 HydrophobicContact CG1-CG1 4.25Å
272Y96.3Very high95.6Very high10 Ų1040.4 Ų40.44%0.03920%0.202CC..EExtended strand (participates in β ladder)trans-113.1125.4166.8-75.6-83.6000109.3L97 N98 T105 A106 L107 V108 Y270 V279 H282L97-Y272 HydrophobicContact CB-CD1 4.17Å; L97-Y272 HydrophobicContact CB-CE1 3.66Å; L97-Y272 HydrophobicContact CB-CE2 4.31Å; N98-Y272 PolarHBondContact N-OH 3.46Å; N98-Y272 PolarHBondContact O-OH 3.23Å; T105-Y272 HydrophobicContact CG2-CD2 3.69Å; T105-Y272 HydrophobicContact CG2-CE2 3.92Å; A106-Y272 PolarHBondContact O-N 3.46Å; L107-Y272 WeakPolarHBondContact CA-O 3.45Å; L107-Y272 HydrophobicContact CD2-CD2 4.3Å; L107-Y272 HydrophobicContact CD2-CG 4.18Å; V108-Y272 PolarHBondContact N-O 3.32Å; Y270-Y272 AromaticContact CD1-CD2 3.93Å; Y270-Y272 HydrophobicContact CD1-CD2 3.93Å; Y270-Y272 AromaticContact CD1-CE2 3.51Å; Y270-Y272 HydrophobicContact CD1-CE2 3.51Å; Y270-Y272 AromaticContact CD1-CZ 3.96Å; Y270-Y272 HydrophobicContact CE1-CD2 4.13Å; Y270-Y272 HydrophobicContact CE1-CE1 4.05Å; Y270-Y272 AromaticContact CE1-CE2 3.55Å; Y270-Y272 HydrophobicContact CE1-CE2 3.55Å; Y270-Y272 AromaticContact CE1-CZ 3.48Å; Y270-Y272 VanDerWaalsContact CE1-CZ 3.48Å; Y272-V279 HydrophobicContact CD1-CG1 3.86Å; Y272-V279 HydrophobicContact CD1-CG2 4.38Å; Y272-H282 HydrophobicContact CD1-CB 3.39Å; Y272-H282 HydrophobicContact CE1-CB 3.63Å; Y272-H282 AromaticContact CE1-CG 3.8Å; Y272-H282 HydrophobicContact CG-CB 4.08Å
273V96Very high95.7Very high1 Ų139.4 Ų39.41%0.00620%0.198CC..EExtended strand (participates in β ladder)trans-98.1112.5175-175.50000109.1V108 A280 K281 V288 W294 L300V108-V273 HydrophobicContact CG2-CB 4.16Å; V108-V273 HydrophobicContact CG2-CG1 4.31Å; V108-V273 HydrophobicContact CG2-CG2 3.69Å; V273-A280 PolarHBondContact O-N 2.87Å; V273-K281 HydrophobicContact CB-CB 4.32Å; V273-K281 WeakPolarHBondContact CB-O 3.42Å; V273-K281 HydrophobicContact CG2-CB 4.31Å; V273-K281 PolarHBondContact N-O 3.02Å; V273-V288 HydrophobicContact CG2-CG1 3.66Å; V273-W294 HydrophobicContact CB-CH2 4.09Å; V273-W294 HydrophobicContact CB-CZ3 4.5Å; V273-W294 HydrophobicContact CG1-CH2 3.73Å; V273-W294 HydrophobicContact CG1-CZ3 4.12Å; V273-W294 HydrophobicContact CG2-CH2 4.33Å; V273-W294 HydrophobicContact CG2-CZ3 4.28Å; V273-L300 HydrophobicContact CG1-CD1 3.4Å
274L93.9Very high95.7Very high2 Ų242 Ų421%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-91132.8172.8-78.995.3000111.8L92 L107 V108 G109 S113 K115 L118 H278L92-L274 HydrophobicContact CD2-CD2 4.48Å; L107-L274 HydrophobicContact CB-CD1 4.31Å; L107-L274 HydrophobicContact CD2-CD1 3.59Å; V108-L274 PolarHBondContact O-N 2.95Å; G109-L274 VanDerWaalsContact CA-O 3.31Å; G109-L274 WeakPolarHBondContact CA-O 3.49Å; S113-L274 VanDerWaalsContact CB-O 3.27Å; S113-L274 WeakPolarHBondContact CB-O 3.41Å; S113-L274 PolarHBondContact OG-O 3.49Å; K115-L274 HydrophobicContact CG-CB 4.44Å; K115-L274 HydrophobicContact CG-CD1 4.44Å; L118-L274 HydrophobicContact CD2-CD1 4.13Å; L118-L274 HydrophobicContact CD2-CD2 4.14Å; L274-H278 VanDerWaalsContact CA-O 3.32Å; L274-H278 WeakPolarHBondContact CA-O 3.12Å
275E93.2Very high95.7Very high41 Ų4142.8 Ų42.819%0.19222%0.217CC..EExtended strand (participates in β ladder)trans-135.3125.1171.1-172.9-174.2-174.900109.4G277 H278 A280 K298E275-G277 PolarHBondContact O-N 2.92Å; E275-H278 PolarHBondContact N-O 3.44Å; E275-H278 PolarHBondContact O-N 3.47Å; E275-A280 HydrophobicContact CB-CB 3.83Å; E275-K298 WeakPolarHBondContact OE1-CD 3.13Å; E275-K298 IonicContact OE1-NZ 2.99Å; E275-K298 PolarHBondContact OE1-NZ 3.44Å; E275-K298 WeakPolarHBondContact OE2-CD 3.43Å; E275-K298 WeakPolarHBondContact OE2-CE 3.33Å; E275-K298 IonicContact OE2-NZ 2.71Å; E275-K298 PolarHBondContact OE2-NZ 3.42Å
276K92.4Very high95.7Very high147 Ų14744.6 Ų44.664%0.63922%0.224SC*.THydrogen-bonded Turntrans47.439.1174.8-61.9172.5-175.7168.60114.5
277G91.9Very high95.6Very high1 Ų143.8 Ų43.81%0.0122%0.222CC..THydrogen-bonded Turntrans80.712.4177.700000115.2A91 Y93 I95 S113 E275A91-G277 WeakPolarHBondContact O-CA 3.22Å; Y93-G277 PolarHBondContact N-O 3.32Å; I95-G277 VanDerWaalsContact CD1-O 3.27Å; I95-G277 WeakPolarHBondContact CD1-O 3.37Å; S113-G277 VanDerWaalsContact O-CA 3.29Å; S113-G277 WeakPolarHBondContact O-CA 3.37Å; S113-G277 PolarHBondContact O-N 3.05Å; E275-G277 PolarHBondContact O-N 2.92Å
278H94.9Very high95.5Very high90 Ų9042.2 Ų42.242%0.41722%0.215SC..EExtended strand (participates in β ladder)trans-120.2156.3173.2-65.3-86.1000111.2Y93 L274 E275 A280Y93-H278 WeakPolarHBondContact CB-CE1 3.35Å; Y93-H278 WeakPolarHBondContact CB-ND1 3.48Å; Y93-H278 WeakPolarHBondContact CB-NE2 3.45Å; Y93-H278 AromaticContact CD2-NE2 3.96Å; Y93-H278 AromaticContact CG-CE1 3.76Å; Y93-H278 AromaticContact CG-NE2 3.63Å; Y93-H278 PolarHBondContact O-ND1 3.07Å; L274-H278 VanDerWaalsContact CA-O 3.32Å; L274-H278 WeakPolarHBondContact CA-O 3.12Å; E275-H278 PolarHBondContact N-O 3.44Å; E275-H278 PolarHBondContact O-N 3.47Å; H278-A280 PolarHBondContact O-N 2.78Å
279V94.9Very high95.4Very high38 Ų3841.9 Ų41.923%0.2321%0.212CC..EExtended strand (participates in β ladder)trans-78.2110.2163.7179.80000108.1I95 Y272 H282I95-V279 HydrophobicContact CD1-CG2 3.99Å; I95-V279 HydrophobicContact CG2-CG2 4.18Å; Y272-V279 HydrophobicContact CD1-CG1 3.86Å; Y272-V279 HydrophobicContact CD1-CG2 4.38Å; V279-H282 HydrophobicContact CG1-CB 4.2Å
280A94.8Very high95.1Very high42 Ų4243.2 Ų43.235%0.34722%0.216SC..EExtended strand (participates in β ladder)trans-85.1-36-177.500000112.6V273 E275 H278 W294V273-A280 PolarHBondContact O-N 2.87Å; E275-A280 HydrophobicContact CB-CB 3.83Å; H278-A280 PolarHBondContact O-N 2.78Å; A280-W294 HydrophobicContact CB-CH2 4.13Å; A280-W294 HydrophobicContact CB-CZ2 3.93Å
281K95.6Very high94.8Very high51 Ų5143.1 Ų43.122%0.22222%0.22CC..EExtended strand (participates in β ladder)trans-156.9151.1177.1-166.2175.2-180-170.10108.7V273 T287 V288 W294V273-K281 HydrophobicContact CB-CB 4.32Å; V273-K281 WeakPolarHBondContact CB-O 3.42Å; V273-K281 HydrophobicContact CG2-CB 4.31Å; V273-K281 PolarHBondContact N-O 3.02Å; K281-T287 WeakPolarHBondContact CE-O 3.44Å; K281-T287 PolarHBondContact NZ-O 3.04Å; K281-V288 PolarHBondContact NZ-O 3.12Å; K281-W294 HydrophobicContact CB-CH2 3.46Å; K281-W294 VanDerWaalsContact CB-CH2 3.46Å; K281-W294 HydrophobicContact CB-CZ2 3.97Å; K281-W294 HydrophobicContact CB-CZ3 4.02Å; K281-W294 HydrophobicContact CD-CE3 4.2Å; K281-W294 HydrophobicContact CD-CH2 4.14Å; K281-W294 HydrophobicContact CD-CZ3 3.92Å; K281-W294 HydrophobicContact CG-CH2 4.43Å
282H96.3Very high94.5Very high97 Ų9743.5 Ų43.545%0.44922%0.223SC..EExtended strand (participates in β ladder)trans-153.2157.1172.563.188.9000110.8Y270 V271 Y272 V279Y270-H282 HydrophobicContact CE1-CB 4.05Å; Y270-H282 AromaticContact CZ-ND1 3.8Å; Y270-H282 PolarHBondContact OH-ND1 2.75Å; V271-H282 CarbonylContact O-C 3.57Å; V271-H282 WeakPolarHBondContact O-CA 3.36Å; V271-H282 WeakPolarHBondContact O-CB 3.47Å; Y272-H282 HydrophobicContact CD1-CB 3.39Å; Y272-H282 HydrophobicContact CE1-CB 3.63Å; Y272-H282 AromaticContact CE1-CG 3.8Å; Y272-H282 HydrophobicContact CG-CB 4.08Å; V279-H282 HydrophobicContact CG1-CB 4.2Å
283G97Very high94.3Very high8 Ų846.3 Ų46.38%0.08225%0.248CC..EExtended strand (participates in β ladder)trans159.5-172.9-176.100000111.9V271V271-G283 PolarHBondContact N-O 3.17Å; V271-G283 PolarHBondContact O-N 3.34Å
284D96.8Very high94.2Very high65 Ų6548.5 Ų48.535%0.34826%0.256SS..  trans-64.5159.3165.463.887.7000110.8Q286 T287 V288D284-Q286 VanDerWaalsContact C-N 3.27Å; D284-Q286 PolarHBondContact O-N 3Å; D284-Q286 WeakPolarHBondContact OD1-CA 3.37Å; D284-Q286 VanDerWaalsContact OD1-CB 3.25Å; D284-Q286 WeakPolarHBondContact OD1-CB 3.43Å; D284-Q286 PolarHBondContact OD1-N 3.45Å; D284-T287 PolarHBondContact O-N 3.1Å; D284-T287 PolarHBondContact OD1-N 2.94Å; D284-T287 PolarHBondContact OD1-OG1 3.28Å; D284-T287 WeakPolarHBondContact OD2-CB 3.4Å; D284-T287 PolarHBondContact OD2-OG1 3.29Å; D284-V288 PolarHBondContact O-N 2.99Å; D284-V288 VanDerWaalsContact O-N 3.08Å
285P96.8Very high94.1Very high15 Ų1548.5 Ų48.510%0.09726%0.256CS..Hα-helixtrans-54-39.1-179.3-2733.1000114.1A268 V271 V288 F289 L324A268-P285 WeakPolarHBondContact O-CG 3.45Å; V271-P285 HydrophobicContact CG2-CB 4.36Å; V271-P285 HydrophobicContact CG2-CG 4.03Å; P285-V288 PolarHBondContact O-N 2.98Å; P285-F289 HydrophobicContact CB-CD2 4.04Å; P285-F289 HydrophobicContact CB-CE2 4.17Å; P285-F289 WeakPolarHBondContact O-CB 3.44Å; P285-F289 WeakPolarHBondContact O-CD2 3.33Å; P285-F289 WeakPolarHBondContact O-CG 3.43Å; P285-F289 PolarHBondContact O-N 3.38Å; P285-L324 HydrophobicContact CB-CD1 3.71Å
286Q95.8Very high94Very high50 Ų5051.4 Ų51.423%0.23427%0.268CS..Hα-helixtrans-62.7-51.9-179-171.666.951.600110.5D284 V288 F289 E290 L322 L324D284-Q286 VanDerWaalsContact C-N 3.27Å; D284-Q286 PolarHBondContact O-N 3Å; D284-Q286 WeakPolarHBondContact OD1-CA 3.37Å; D284-Q286 VanDerWaalsContact OD1-CB 3.25Å; D284-Q286 WeakPolarHBondContact OD1-CB 3.43Å; D284-Q286 PolarHBondContact OD1-N 3.45Å; Q286-V288 VanDerWaalsContact C-N 3.28Å; Q286-V288 PolarHBondContact O-N 3Å; Q286-F289 PolarHBondContact O-N 3.34Å; Q286-E290 VanDerWaalsContact O-CB 3.3Å; Q286-E290 WeakPolarHBondContact O-CB 3.42Å; Q286-E290 PolarHBondContact O-N 3.07Å; Q286-L322 PolarHBondContact NE2-O 3.11Å; Q286-L322 PolarHBondContact OE1-O 2.74Å; Q286-L324 HydrophobicContact CB-CD1 4.33Å
287T95.1Very high94Very high65 Ų6551 Ų5140%0.39927%0.268SS..Hα-helixtrans-59.8-37178.3-61.90000112.5K281 D284K281-T287 WeakPolarHBondContact CE-O 3.44Å; K281-T287 PolarHBondContact NZ-O 3.04Å; D284-T287 PolarHBondContact O-N 3.1Å; D284-T287 PolarHBondContact OD1-N 2.94Å; D284-T287 PolarHBondContact OD1-OG1 3.28Å; D284-T287 WeakPolarHBondContact OD2-CB 3.4Å; D284-T287 PolarHBondContact OD2-OG1 3.29Å
288V95.4Very high93.9Very high0 Ų052.8 Ų52.80%028%0.276CS..Hα-helixtrans-72.8-47.9179175.30000111.2V271 V273 K281 D284 P285 Q286V271-V288 HydrophobicContact CB-CB 4.47Å; V271-V288 HydrophobicContact CB-CG2 4.1Å; V271-V288 HydrophobicContact CG1-CG1 4.25Å; V273-V288 HydrophobicContact CG2-CG1 3.66Å; K281-V288 PolarHBondContact NZ-O 3.12Å; D284-V288 PolarHBondContact O-N 2.99Å; D284-V288 VanDerWaalsContact O-N 3.08Å; P285-V288 PolarHBondContact O-N 2.98Å; Q286-V288 VanDerWaalsContact C-N 3.28Å; Q286-V288 PolarHBondContact O-N 3Å
289F94.5Very high93.5Very high1 Ų156.3 Ų56.30%0.00429%0.292CS..Hα-helixtrans-82.3-12.2-172.9-66.9-53.3000115.7M261 V264 A265 P285 Q286 D291 L295 P303 L324M261-F289 HydrophobicContact CB-CE1 4.1Å; M261-F289 HydrophobicContact CB-CZ 4.14Å; M261-F289 HydrophobicContact CG-CE1 4.1Å; M261-F289 HydrophobicContact CG-CZ 4.44Å; M261-F289 HydrophobicContact SD-CE1 3.59Å; M261-F289 VanDerWaalsContact SD-CE1 3.59Å; M261-F289 HydrophobicContact SD-CZ 3.8Å; V264-F289 HydrophobicContact CB-CE2 4.21Å; V264-F289 HydrophobicContact CB-CZ 4Å; V264-F289 HydrophobicContact CG1-CE2 3.79Å; V264-F289 HydrophobicContact CG1-CZ 3.76Å; A265-F289 HydrophobicContact CB-CE2 4.48Å; P285-F289 HydrophobicContact CB-CD2 4.04Å; P285-F289 HydrophobicContact CB-CE2 4.17Å; P285-F289 WeakPolarHBondContact O-CB 3.44Å; P285-F289 WeakPolarHBondContact O-CD2 3.33Å; P285-F289 WeakPolarHBondContact O-CG 3.43Å; P285-F289 PolarHBondContact O-N 3.38Å; Q286-F289 PolarHBondContact O-N 3.34Å; F289-D291 VanDerWaalsContact C-N 3.3Å; F289-D291 PolarHBondContact O-N 3.39Å; F289-L295 HydrophobicContact CB-CD1 4.45Å; F289-L295 HydrophobicContact CD1-CD1 3.54Å; F289-L295 HydrophobicContact CE1-CD1 4.29Å; F289-L295 HydrophobicContact CG-CD1 4.46Å; F289-P303 HydrophobicContact CD1-CG 4.39Å; F289-P303 HydrophobicContact CD2-CG 4.12Å; F289-P303 HydrophobicContact CE2-CG 4.27Å; F289-P303 HydrophobicContact CG-CG 4.21Å; F289-L324 HydrophobicContact CB-CD2 3.55Å; F289-L324 HydrophobicContact CD2-CD1 4.26Å; F289-L324 HydrophobicContact CD2-CD2 4.18Å; F289-L324 HydrophobicContact CG-CD2 4.27Å
290E90.7Very high93.2Very high111 Ų11155.2 Ų55.252%0.51929%0.285SS..THydrogen-bonded Turntrans-62-34.4177.9-171.6171.5-14900113.2Q286 V292Q286-E290 VanDerWaalsContact O-CB 3.3Å; Q286-E290 WeakPolarHBondContact O-CB 3.42Å; Q286-E290 PolarHBondContact O-N 3.07Å; E290-V292 PolarHBondContact O-N 3.46Å; E290-V292 VanDerWaalsContact O-N 3.13Å
291D90.3Very high93Very high71 Ų7155.1 Ų55.138%0.3829%0.289SS..  trans-89.275.5178-166.2-15.3000111.8F289 A293 W294 L295F289-D291 VanDerWaalsContact C-N 3.3Å; F289-D291 PolarHBondContact O-N 3.39Å; D291-A293 VanDerWaalsContact C-N 3.27Å; D291-A293 PolarHBondContact O-N 3.05Å; D291-W294 HydrophobicContact CB-CB 4.05Å; D291-W294 PolarHBondContact O-N 3.22Å; D291-W294 VanDerWaalsContact OD1-CB 3.3Å; D291-W294 WeakPolarHBondContact OD1-CB 3.38Å; D291-W294 PolarHBondContact OD1-N 3.48Å; D291-W294 VanDerWaalsContact OD2-CB 3.29Å; D291-W294 WeakPolarHBondContact OD2-CB 3.4Å; D291-L295 PolarHBondContact O-N 2.86Å; D291-L295 VanDerWaalsContact O-N 3.08Å
292V92Very high92.9Very high8 Ų853.9 Ų53.95%0.04829%0.285CS..Hα-helixtrans-60.5-36.7-178.9178.40000112.1E290 L295 K296 V302 T306 E310 L322E290-V292 PolarHBondContact O-N 3.46Å; E290-V292 VanDerWaalsContact O-N 3.13Å; V292-L295 PolarHBondContact O-N 2.99Å; V292-K296 HydrophobicContact CG1-CD 4.04Å; V292-K296 VanDerWaalsContact CG1-CE 3.48Å; V292-K296 HydrophobicContact CG1-CG 4.49Å; V292-K296 WeakPolarHBondContact O-CG 3.45Å; V292-K296 PolarHBondContact O-N 3.24Å; V292-V302 HydrophobicContact CB-CG1 4.41Å; V292-V302 HydrophobicContact CG1-CG1 3.97Å; V292-V302 HydrophobicContact CG1-CG2 4.44Å; V292-V302 HydrophobicContact CG2-CG1 4.31Å; V292-T306 HydrophobicContact CG2-CG2 3.8Å; V292-E310 WeakPolarHBondContact CG1-OE1 3.32Å; V292-L322 HydrophobicContact CG2-CD1 3.77Å
293A92Very high92.9Very high69 Ų6949.2 Ų49.257%0.5726%0.264SS*.Hα-helixtrans-65.5-45.7-179.800000111.1D291 K296 E297D291-A293 VanDerWaalsContact C-N 3.27Å; D291-A293 PolarHBondContact O-N 3.05Å; A293-K296 PolarHBondContact O-N 3.24Å; A293-E297 PolarHBondContact O-N 3.33Å
294W94.3Very high92.8Very high47 Ų4754.6 Ų54.618%0.17829%0.286CS..Hα-helixtrans-63-43.9176.1-179.288.4000112.1V273 A280 K281 D291 K296 E297 K298V273-W294 HydrophobicContact CB-CH2 4.09Å; V273-W294 HydrophobicContact CB-CZ3 4.5Å; V273-W294 HydrophobicContact CG1-CH2 3.73Å; V273-W294 HydrophobicContact CG1-CZ3 4.12Å; V273-W294 HydrophobicContact CG2-CH2 4.33Å; V273-W294 HydrophobicContact CG2-CZ3 4.28Å; A280-W294 HydrophobicContact CB-CH2 4.13Å; A280-W294 HydrophobicContact CB-CZ2 3.93Å; K281-W294 HydrophobicContact CB-CH2 3.46Å; K281-W294 VanDerWaalsContact CB-CH2 3.46Å; K281-W294 HydrophobicContact CB-CZ2 3.97Å; K281-W294 HydrophobicContact CB-CZ3 4.02Å; K281-W294 HydrophobicContact CD-CE3 4.2Å; K281-W294 HydrophobicContact CD-CH2 4.14Å; K281-W294 HydrophobicContact CD-CZ3 3.92Å; K281-W294 HydrophobicContact CG-CH2 4.43Å; D291-W294 HydrophobicContact CB-CB 4.05Å; D291-W294 PolarHBondContact O-N 3.22Å; D291-W294 VanDerWaalsContact OD1-CB 3.3Å; D291-W294 WeakPolarHBondContact OD1-CB 3.38Å; D291-W294 PolarHBondContact OD1-N 3.48Å; D291-W294 VanDerWaalsContact OD2-CB 3.29Å; D291-W294 WeakPolarHBondContact OD2-CB 3.4Å; W294-K296 VanDerWaalsContact C-N 3.34Å; W294-K296 PolarHBondContact O-N 3.18Å; W294-E297 WeakPolarHBondContact O-CB 3.37Å; W294-E297 PolarHBondContact O-N 2.89Å; W294-E297 VanDerWaalsContact O-N 3.15Å; W294-K298 HydrophobicContact CD2-CG 3.95Å; W294-K298 HydrophobicContact CE3-CG 4.23Å; W294-K298 HydrophobicContact CH2-CG 4.08Å; W294-K298 HydrophobicContact CZ2-CD 4.42Å; W294-K298 HydrophobicContact CZ2-CG 3.79Å; W294-K298 HydrophobicContact CZ3-CG 4.29Å; W294-K298 WeakPolarHBondContact O-CG 3.42Å; W294-K298 PolarHBondContact O-N 3.08Å
295L92.4Very high92.8Very high1 Ų151.7 Ų51.71%0.00527%0.271CS..Hα-helixtrans-59.9-44.1177.8-74.8170000112.3F289 D291 V292 E297 K298 Q299 L300 V302F289-L295 HydrophobicContact CB-CD1 4.45Å; F289-L295 HydrophobicContact CD1-CD1 3.54Å; F289-L295 HydrophobicContact CE1-CD1 4.29Å; F289-L295 HydrophobicContact CG-CD1 4.46Å; D291-L295 PolarHBondContact O-N 2.86Å; D291-L295 VanDerWaalsContact O-N 3.08Å; V292-L295 PolarHBondContact O-N 2.99Å; L295-E297 PolarHBondContact O-N 3.11Å; L295-K298 CarbonylContact O-C 3.51Å; L295-K298 PolarHBondContact O-N 3.19Å; L295-K298 VanDerWaalsContact O-N 3.16Å; L295-Q299 PolarHBondContact O-N 3.1Å; L295-L300 CarbonylContact C-O 3.53Å; L295-L300 HydrophobicContact CB-CB 4.35Å; L295-L300 HydrophobicContact CD2-CB 3.97Å; L295-L300 HydrophobicContact CD2-CD1 3.77Å; L295-L300 PolarHBondContact O-N 3.42Å; L295-V302 HydrophobicContact CB-CG1 4.09Å; L295-V302 HydrophobicContact CD1-CG1 3.77Å
296K90.2Very high92.8Very high103 Ų10351 Ų5145%0.44827%0.267SS..Hα-helixtrans-61.7-41.5174.8-72.9171.5-179.3170.30112V292 A293 W294 K298 Q299 E310V292-K296 HydrophobicContact CG1-CD 4.04Å; V292-K296 VanDerWaalsContact CG1-CE 3.48Å; V292-K296 HydrophobicContact CG1-CG 4.49Å; V292-K296 WeakPolarHBondContact O-CG 3.45Å; V292-K296 PolarHBondContact O-N 3.24Å; A293-K296 PolarHBondContact O-N 3.24Å; W294-K296 VanDerWaalsContact C-N 3.34Å; W294-K296 PolarHBondContact O-N 3.18Å; K296-K298 VanDerWaalsContact C-N 3.29Å; K296-K298 PolarHBondContact O-N 3.31Å; K296-Q299 PolarHBondContact O-N 3.35Å; K296-E310 IonicContact NZ-OE1 2.64Å; K296-E310 PolarHBondContact NZ-OE1 3.32Å; K296-E310 IonicContact NZ-OE2 2.79Å; K296-E310 PolarHBondContact NZ-OE2 3.01Å
297E92.1Very high92.7Very high139 Ų13949.9 Ų49.965%0.6527%0.267SS*.Hα-helixtrans-59-41.6174.2-171.3-162.7144.200111.4A293 W294 L295 Q299A293-E297 PolarHBondContact O-N 3.33Å; W294-E297 WeakPolarHBondContact O-CB 3.37Å; W294-E297 PolarHBondContact O-N 2.89Å; W294-E297 VanDerWaalsContact O-N 3.15Å; L295-E297 PolarHBondContact O-N 3.11Å; E297-Q299 PolarHBondContact O-N 2.87Å
298K89Confident92.8Very high38 Ų3851.8 Ų51.817%0.16527%0.27CS..THydrogen-bonded Turntrans-75.56.2176.5-60.4-46.9-175.8176.40114.4E275 W294 L295 K296 L300E275-K298 WeakPolarHBondContact OE1-CD 3.13Å; E275-K298 IonicContact OE1-NZ 2.99Å; E275-K298 PolarHBondContact OE1-NZ 3.44Å; E275-K298 WeakPolarHBondContact OE2-CD 3.43Å; E275-K298 WeakPolarHBondContact OE2-CE 3.33Å; E275-K298 IonicContact OE2-NZ 2.71Å; E275-K298 PolarHBondContact OE2-NZ 3.42Å; W294-K298 HydrophobicContact CD2-CG 3.95Å; W294-K298 HydrophobicContact CE3-CG 4.23Å; W294-K298 HydrophobicContact CH2-CG 4.08Å; W294-K298 HydrophobicContact CZ2-CD 4.42Å; W294-K298 HydrophobicContact CZ2-CG 3.79Å; W294-K298 HydrophobicContact CZ3-CG 4.29Å; W294-K298 WeakPolarHBondContact O-CG 3.42Å; W294-K298 PolarHBondContact O-N 3.08Å; L295-K298 CarbonylContact O-C 3.51Å; L295-K298 PolarHBondContact O-N 3.19Å; L295-K298 VanDerWaalsContact O-N 3.16Å; K296-K298 VanDerWaalsContact C-N 3.29Å; K296-K298 PolarHBondContact O-N 3.31Å; K298-L300 HydrophobicContact CB-CD1 4.22Å; K298-L300 HydrophobicContact CB-CG 4.28Å; K298-L300 PolarHBondContact O-N 3.29Å
299Q88.1Confident92.8Very high164 Ų16451.8 Ų51.877%0.76627%0.27SS*.THydrogen-bonded Turntrans58.529.7-177.2-52.9172.411.500112.4L295 K296 E297L295-Q299 PolarHBondContact O-N 3.1Å; K296-Q299 PolarHBondContact O-N 3.35Å; E297-Q299 PolarHBondContact O-N 2.87Å
300L88.9Confident92.7Very high14 Ų1454.7 Ų54.77%0.07328%0.283CS..  trans-96.3143.6170.7-64.7172.7000109.1M261 V273 L295 K298M261-L300 HydrophobicContact CE-CB 4.48Å; M261-L300 HydrophobicContact CE-CD2 4.02Å; V273-L300 HydrophobicContact CG1-CD1 3.4Å; L295-L300 CarbonylContact C-O 3.53Å; L295-L300 HydrophobicContact CB-CB 4.35Å; L295-L300 HydrophobicContact CD2-CB 3.97Å; L295-L300 HydrophobicContact CD2-CD1 3.77Å; L295-L300 PolarHBondContact O-N 3.42Å; K298-L300 HydrophobicContact CB-CD1 4.22Å; K298-L300 HydrophobicContact CB-CG 4.28Å; K298-L300 PolarHBondContact O-N 3.29Å
301G89.2Confident92.9Very high41 Ų4156 Ų5642%0.42329%0.287SS..  trans-67.6176.4167.600000111.3M261M261-G301 WeakPolarHBondContact CG-O 3.33Å
302V93.4Very high93.1Very high24 Ų2454.2 Ų54.215%0.14528%0.277CS..  trans-125.6158.2162.6-65.40000108.1V292 L295 T306 A307V292-V302 HydrophobicContact CB-CG1 4.41Å; V292-V302 HydrophobicContact CG1-CG1 3.97Å; V292-V302 HydrophobicContact CG1-CG2 4.44Å; V292-V302 HydrophobicContact CG2-CG1 4.31Å; L295-V302 HydrophobicContact CB-CG1 4.09Å; L295-V302 HydrophobicContact CD1-CG1 3.77Å; V302-T306 HydrophobicContact CB-CG2 4.38Å; V302-A307 HydrophobicContact CG2-CB 3.86Å
303P96.1Very high93.2Very high0 Ų057.2 Ų57.20%029%0.29CS..  trans-54.3149.5172.5-23.133.5000111.6M261 D262 A265 F289 A305 T306 A307 L324M261-P303 HydrophobicContact CB-CG 4.12Å; D262-P303 WeakPolarHBondContact OD1-CA 3.37Å; A265-P303 HydrophobicContact CB-CB 4.08Å; A265-P303 HydrophobicContact CB-CG 3.69Å; F289-P303 HydrophobicContact CD1-CG 4.39Å; F289-P303 HydrophobicContact CD2-CG 4.12Å; F289-P303 HydrophobicContact CE2-CG 4.27Å; F289-P303 HydrophobicContact CG-CG 4.21Å; P303-A305 VanDerWaalsContact C-N 3.3Å; P303-A305 PolarHBondContact O-N 3.32Å; P303-T306 WeakPolarHBondContact O-CB 3.23Å; P303-T306 PolarHBondContact O-N 2.86Å; P303-T306 VanDerWaalsContact O-N 3.13Å; P303-A307 PolarHBondContact O-N 2.74Å; P303-L324 WeakPolarHBondContact CB-O 3.38Å
304Q95.7Very high93.2Very high120 Ų12058.2 Ų58.256%0.56130%0.299SS*.Hα-helixtrans-63.1-38.6-175.2-68.9179.340.800112.2D262 T306 A307 F308D262-Q304 PolarHBondContact OD1-N 2.81Å; D262-Q304 PolarHBondContact OD2-NE2 3.21Å; Q304-T306 VanDerWaalsContact C-N 3.33Å; Q304-T306 PolarHBondContact O-N 2.93Å; Q304-A307 PolarHBondContact O-N 3.28Å; Q304-F308 PolarHBondContact O-N 2.8Å
305A96.7Very high93.2Very high4 Ų466.9 Ų66.93%0.03333%0.331CS..Hα-helixtrans-59.7-44.6174.500000111.3P303 F308 A309 T325 L329P303-A305 VanDerWaalsContact C-N 3.3Å; P303-A305 PolarHBondContact O-N 3.32Å; A305-F308 PolarHBondContact O-N 3.03Å; A305-A309 WeakPolarHBondContact O-CB 3.46Å; A305-A309 PolarHBondContact O-N 3.29Å; A305-T325 VanDerWaalsContact CB-C 3.42Å; A305-T325 WeakPolarHBondContact CB-O 3.43Å; A305-L329 HydrophobicContact CB-CB 4.17Å; A305-L329 HydrophobicContact CB-CD2 4.23Å
306T96.6Very high93.2Very high0 Ų070.2 Ų70.20%037%0.365CS..Hα-helixtrans-63-45.1176.5-48.80000111.5V292 V302 P303 Q304 F308 A309 E310 L322 P323V292-T306 HydrophobicContact CG2-CG2 3.8Å; V302-T306 HydrophobicContact CB-CG2 4.38Å; P303-T306 WeakPolarHBondContact O-CB 3.23Å; P303-T306 PolarHBondContact O-N 2.86Å; P303-T306 VanDerWaalsContact O-N 3.13Å; Q304-T306 VanDerWaalsContact C-N 3.33Å; Q304-T306 PolarHBondContact O-N 2.93Å; T306-F308 VanDerWaalsContact C-N 3.26Å; T306-F308 PolarHBondContact O-N 3.43Å; T306-A309 PolarHBondContact O-N 3.05Å; T306-E310 PolarHBondContact O-N 3.1Å; T306-L322 HydrophobicContact CG2-CB 4.17Å; T306-L322 HydrophobicContact CG2-CD1 4.05Å; T306-P323 VanDerWaalsContact CA-O 3.22Å; T306-P323 WeakPolarHBondContact CA-O 3.31Å; T306-P323 WeakPolarHBondContact CB-O 3.47Å; T306-P323 PolarHBondContact N-O 3.4Å; T306-P323 VanDerWaalsContact N-O 3.12Å; T306-P323 PolarHBondContact OG1-O 2.72Å
307A94.8Very high93.4Very high28 Ų2866.6 Ų66.623%0.23135%0.352CS..Hα-helixtrans-61.1-35.3176.300000112.5V302 P303 Q304 K311V302-A307 HydrophobicContact CG2-CB 3.86Å; P303-A307 PolarHBondContact O-N 2.74Å; Q304-A307 PolarHBondContact O-N 3.28Å; A307-K311 WeakPolarHBondContact O-CG 3.34Å; A307-K311 PolarHBondContact O-N 3.38Å
308F96.1Very high93.3Very high105 Ų10566.5 Ų66.546%0.46136%0.356SS..Hα-helixtrans-72.6-43.8176-171.2-96.8000111.7Q304 A305 T306 E310 K311 M312 L329Q304-F308 PolarHBondContact O-N 2.8Å; A305-F308 PolarHBondContact O-N 3.03Å; T306-F308 VanDerWaalsContact C-N 3.26Å; T306-F308 PolarHBondContact O-N 3.43Å; F308-E310 VanDerWaalsContact C-N 3.32Å; F308-E310 PolarHBondContact O-N 2.98Å; F308-K311 WeakPolarHBondContact O-CB 3.3Å; F308-K311 PolarHBondContact O-N 3.05Å; F308-K311 VanDerWaalsContact O-N 3.09Å; F308-M312 HydrophobicContact CD1-CG 4.13Å; F308-M312 HydrophobicContact CD1-SD 3.62Å; F308-M312 HydrophobicContact CE1-CG 3.92Å; F308-M312 HydrophobicContact CE1-SD 3.37Å; F308-M312 WeakPolarHBondContact CE1-SD 2.97Å; F308-M312 HydrophobicContact CZ-SD 4.42Å; F308-M312 PolarHBondContact O-N 3.24Å; F308-L329 HydrophobicContact CB-CD2 4.18Å; F308-L329 HydrophobicContact CD1-CD1 4.37Å; F308-L329 HydrophobicContact CD1-CD2 3.64Å; F308-L329 HydrophobicContact CE1-CD2 4.44Å; F308-L329 HydrophobicContact CG-CD2 4.25Å
309A95.2Very high93.4Very high0 Ų065.2 Ų65.20%035%0.351CS..Hα-helixtrans-60.1-39.5176.200000112.4A305 T306 K311 M312 Q313 F319 L322 P323A305-A309 WeakPolarHBondContact O-CB 3.46Å; A305-A309 PolarHBondContact O-N 3.29Å; T306-A309 PolarHBondContact O-N 3.05Å; A309-K311 VanDerWaalsContact C-N 3.31Å; A309-K311 PolarHBondContact O-N 3.01Å; A309-M312 CarbonylContact O-C 3.58Å; A309-M312 WeakPolarHBondContact O-CA 3.34Å; A309-M312 WeakPolarHBondContact O-CB 3.42Å; A309-M312 PolarHBondContact O-N 3.02Å; A309-Q313 PolarHBondContact O-N 3.3Å; A309-F319 HydrophobicContact CB-CD2 4.45Å; A309-F319 HydrophobicContact CB-CE1 4.18Å; A309-F319 HydrophobicContact CB-CE2 3.93Å; A309-F319 HydrophobicContact CB-CZ 3.79Å; A309-L322 HydrophobicContact CB-CD2 3.94Å; A309-P323 HydrophobicContact CB-CG 3.66Å
310E93Very high93.5Very high62 Ų6266.8 Ų66.829%0.2936%0.358SS..Hα-helixtrans-59.1-40.8173.6-171.6-165.2-142.500111.7V292 K296 T306 F308 M312 Q313 A314V292-E310 WeakPolarHBondContact CG1-OE1 3.32Å; K296-E310 IonicContact NZ-OE1 2.64Å; K296-E310 PolarHBondContact NZ-OE1 3.32Å; K296-E310 IonicContact NZ-OE2 2.79Å; K296-E310 PolarHBondContact NZ-OE2 3.01Å; T306-E310 PolarHBondContact O-N 3.1Å; F308-E310 VanDerWaalsContact C-N 3.32Å; F308-E310 PolarHBondContact O-N 2.98Å; E310-M312 VanDerWaalsContact C-N 3.31Å; E310-M312 PolarHBondContact O-N 3.41Å; E310-Q313 PolarHBondContact O-N 2.8Å; E310-A314 PolarHBondContact O-N 2.69Å
311K94.3Very high93.7Very high138 Ų13868.4 Ų68.460%0.637%0.373SS*.Hα-helixtrans-66.3-33.4174.8-67.2171.4-175.41710112.2A307 F308 A309A307-K311 WeakPolarHBondContact O-CG 3.34Å; A307-K311 PolarHBondContact O-N 3.38Å; F308-K311 WeakPolarHBondContact O-CB 3.3Å; F308-K311 PolarHBondContact O-N 3.05Å; F308-K311 VanDerWaalsContact O-N 3.09Å; A309-K311 VanDerWaalsContact C-N 3.31Å; A309-K311 PolarHBondContact O-N 3.01Å
312M95Very high93.9Very high34 Ų3467.1 Ų67.117%0.16736%0.356CS..Hα-helixtrans-69.8-40.8173.6-67.6177.568.100111.2F308 A309 E310 A314 R315 G316 V317 F319 L329 W332F308-M312 HydrophobicContact CD1-CG 4.13Å; F308-M312 HydrophobicContact CD1-SD 3.62Å; F308-M312 HydrophobicContact CE1-CG 3.92Å; F308-M312 HydrophobicContact CE1-SD 3.37Å; F308-M312 WeakPolarHBondContact CE1-SD 2.97Å; F308-M312 HydrophobicContact CZ-SD 4.42Å; F308-M312 PolarHBondContact O-N 3.24Å; A309-M312 CarbonylContact O-C 3.58Å; A309-M312 WeakPolarHBondContact O-CA 3.34Å; A309-M312 WeakPolarHBondContact O-CB 3.42Å; A309-M312 PolarHBondContact O-N 3.02Å; E310-M312 VanDerWaalsContact C-N 3.31Å; E310-M312 PolarHBondContact O-N 3.41Å; M312-A314 VanDerWaalsContact C-N 3.33Å; M312-A314 PolarHBondContact O-N 3.14Å; M312-R315 CarbonylContact O-C 3.47Å; M312-R315 WeakPolarHBondContact O-CA 3.39Å; M312-R315 WeakPolarHBondContact O-CB 3.31Å; M312-R315 PolarHBondContact O-N 3.32Å; M312-G316 PolarHBondContact O-N 2.95Å; M312-V317 HydrophobicContact CB-CB 4Å; M312-V317 HydrophobicContact CB-CG1 4.46Å; M312-V317 HydrophobicContact CB-CG2 4.02Å; M312-V317 HydrophobicContact CE-CG1 4.33Å; M312-V317 HydrophobicContact CE-CG2 4.19Å; M312-V317 WeakPolarHBondContact O-CB 3.28Å; M312-V317 PolarHBondContact O-N 3.44Å; M312-V317 VanDerWaalsContact O-N 3.17Å; M312-F319 HydrophobicContact CB-CE2 3.92Å; M312-F319 HydrophobicContact CB-CZ 4.17Å; M312-F319 HydrophobicContact CE-CZ 4.12Å; M312-F319 HydrophobicContact SD-CZ 4Å; M312-L329 HydrophobicContact SD-CD1 4.3Å; M312-W332 HydrophobicContact CE-CE3 4.43Å; M312-W332 HydrophobicContact CE-CZ3 3.76Å
313Q93.5Very high94Very high71 Ų7166.3 Ų66.333%0.33235%0.352SS..Hα-helixtrans-60.4-41.9174.3-74.9-172.2-24.800112.4A309 E310 R315 G316 V317 F319A309-Q313 PolarHBondContact O-N 3.3Å; E310-Q313 PolarHBondContact O-N 2.8Å; Q313-R315 PolarHBondContact O-N 3.05Å; Q313-G316 PolarHBondContact O-N 3.13Å; Q313-V317 VanDerWaalsContact CA-O 3.28Å; Q313-V317 WeakPolarHBondContact CA-O 3.32Å; Q313-V317 WeakPolarHBondContact CG-O 3.15Å; Q313-F319 HydrophobicContact CG-CD2 3.52Å; Q313-F319 HydrophobicContact CG-CE2 3.96Å
314A92.1Very high94.1Very high90 Ų9066.7 Ų66.774%0.74435%0.354SS*.THydrogen-bonded Turntrans-60.1-15.8173.500000113.4E310 M312E310-A314 PolarHBondContact O-N 2.69Å; M312-A314 VanDerWaalsContact C-N 3.33Å; M312-A314 PolarHBondContact O-N 3.14Å
315R94.4Very high94.2Very high229 Ų22961.6 Ų61.686%0.86433%0.331SS*.THydrogen-bonded Turntrans-102.811.6174.3-64.1-177.5178-175.20.3113.7M312 Q313M312-R315 CarbonylContact O-C 3.47Å; M312-R315 WeakPolarHBondContact O-CA 3.39Å; M312-R315 WeakPolarHBondContact O-CB 3.31Å; M312-R315 PolarHBondContact O-N 3.32Å; Q313-R315 PolarHBondContact O-N 3.05Å
316G93.2Very high94.1Very high70 Ų7068 Ų6872%0.72236%0.36SS*.THydrogen-bonded Turntrans91.97.7174.700000115.2M312 Q313M312-G316 PolarHBondContact O-N 2.95Å; Q313-G316 PolarHBondContact O-N 3.13Å
317V93.3Very high94.1Very high27 Ų2773.5 Ų73.516%0.16439%0.389CS..  trans-73.1135.1170.4178.30000109.3M312 Q313 F319 W332M312-V317 HydrophobicContact CB-CB 4Å; M312-V317 HydrophobicContact CB-CG1 4.46Å; M312-V317 HydrophobicContact CB-CG2 4.02Å; M312-V317 HydrophobicContact CE-CG1 4.33Å; M312-V317 HydrophobicContact CE-CG2 4.19Å; M312-V317 WeakPolarHBondContact O-CB 3.28Å; M312-V317 PolarHBondContact O-N 3.44Å; M312-V317 VanDerWaalsContact O-N 3.17Å; Q313-V317 VanDerWaalsContact CA-O 3.28Å; Q313-V317 WeakPolarHBondContact CA-O 3.32Å; Q313-V317 WeakPolarHBondContact CG-O 3.15Å; V317-F319 HydrophobicContact CB-CE2 4.13Å; V317-F319 HydrophobicContact CG1-CD2 3.99Å; V317-F319 HydrophobicContact CG1-CE2 3.49Å; V317-F319 VanDerWaalsContact CG1-CE2 3.49Å; V317-F319 HydrophobicContact CG1-CZ 3.89Å; V317-W332 HydrophobicContact CG1-CH2 3.14Å; V317-W332 HydrophobicContact CG1-CZ2 3.62Å; V317-W332 HydrophobicContact CG1-CZ3 3.9Å
318N91.3Very high94.1Very high138 Ų13875.9 Ų75.974%0.73840%0.396SS*.  trans-107.3128.4175.4-158.428.9000110.3
319F91.3Very high94.1Very high11 Ų1171.7 Ų71.75%0.04838%0.378CS..  trans-109.5139.8174.2-66.9-96.4000108.2A309 M312 Q313 V317 P323 L329 W332A309-F319 HydrophobicContact CB-CD2 4.45Å; A309-F319 HydrophobicContact CB-CE1 4.18Å; A309-F319 HydrophobicContact CB-CE2 3.93Å; A309-F319 HydrophobicContact CB-CZ 3.79Å; M312-F319 HydrophobicContact CB-CE2 3.92Å; M312-F319 HydrophobicContact CB-CZ 4.17Å; M312-F319 HydrophobicContact CE-CZ 4.12Å; M312-F319 HydrophobicContact SD-CZ 4Å; Q313-F319 HydrophobicContact CG-CD2 3.52Å; Q313-F319 HydrophobicContact CG-CE2 3.96Å; V317-F319 HydrophobicContact CB-CE2 4.13Å; V317-F319 HydrophobicContact CG1-CD2 3.99Å; V317-F319 HydrophobicContact CG1-CE2 3.49Å; V317-F319 VanDerWaalsContact CG1-CE2 3.49Å; V317-F319 HydrophobicContact CG1-CZ 3.89Å; F319-P323 HydrophobicContact CD1-CG 4.46Å; F319-P323 HydrophobicContact CE1-CG 4.22Å; F319-L329 HydrophobicContact CE1-CD1 4.35Å; F319-L329 HydrophobicContact CZ-CD1 4.5Å; F319-W332 AromaticContact CD1-CD1 3.8Å; F319-W332 AromaticContact CD1-CD2 3.74Å; F319-W332 HydrophobicContact CD1-CD2 3.74Å; F319-W332 AromaticContact CD1-CE2 3.56Å; F319-W332 HydrophobicContact CD1-CE3 4.39Å; F319-W332 AromaticContact CD1-CG 3.94Å; F319-W332 HydrophobicContact CD1-CG 3.94Å; F319-W332 HydrophobicContact CD1-CZ2 4.14Å; F319-W332 AromaticContact CD1-NE1 3.54Å; F319-W332 AromaticContact CE1-CD2 3.34Å; F319-W332 HydrophobicContact CE1-CD2 3.34Å; F319-W332 AromaticContact CE1-CE2 3.57Å; F319-W332 AromaticContact CE1-CE3 3.56Å; F319-W332 HydrophobicContact CE1-CE3 3.56Å; F319-W332 AromaticContact CE1-CG 3.8Å; F319-W332 HydrophobicContact CE1-CG 3.8Å; F319-W332 HydrophobicContact CE1-CH2 4.3Å; F319-W332 HydrophobicContact CE1-CZ2 4.05Å; F319-W332 HydrophobicContact CE1-CZ3 4.06Å; F319-W332 AromaticContact CE1-NE1 3.99Å; F319-W332 HydrophobicContact CZ-CD2 4.21Å; F319-W332 HydrophobicContact CZ-CE3 4.03Å; F319-W332 HydrophobicContact CZ-CH2 4.34Å; F319-W332 HydrophobicContact CZ-CZ2 4.42Å; F319-W332 HydrophobicContact CZ-CZ3 4.11Å
320E89.9Confident94.1Very high197 Ų19774 Ų7492%0.92140%0.397SS*.SBendtrans-71.2-42.5171.6-176.2175.2-176.100110.8
321A92.2Very high94.1Very high47 Ų4775.4 Ų75.439%0.38841%0.407SS..SBendtrans-136.6142.716900000108.5
322L94.1Very high94.1Very high14 Ų1471.5 Ų71.57%0.07339%0.388CS..  trans-68.8128176.9-73173.5000109.7Q286 V292 T306 A309Q286-L322 PolarHBondContact NE2-O 3.11Å; Q286-L322 PolarHBondContact OE1-O 2.74Å; V292-L322 HydrophobicContact CG2-CD1 3.77Å; T306-L322 HydrophobicContact CG2-CB 4.17Å; T306-L322 HydrophobicContact CG2-CD1 4.05Å; A309-L322 HydrophobicContact CB-CD2 3.94Å
323P96.7Very high94Very high7 Ų773.2 Ų73.25%0.04540%0.397CS..  trans-65.9138.2176.227.8-33.8000110.1T306 A309 F319 E328 L329T306-P323 VanDerWaalsContact CA-O 3.22Å; T306-P323 WeakPolarHBondContact CA-O 3.31Å; T306-P323 WeakPolarHBondContact CB-O 3.47Å; T306-P323 PolarHBondContact N-O 3.4Å; T306-P323 VanDerWaalsContact N-O 3.12Å; T306-P323 PolarHBondContact OG1-O 2.72Å; A309-P323 HydrophobicContact CB-CG 3.66Å; F319-P323 HydrophobicContact CD1-CG 4.46Å; F319-P323 HydrophobicContact CE1-CG 4.22Å; P323-E328 HydrophobicContact CB-CB 3.81Å; P323-L329 HydrophobicContact CB-CB 3.92Å; P323-L329 HydrophobicContact CG-CB 3.93Å; P323-L329 HydrophobicContact CG-CD1 3.83Å; P323-L329 HydrophobicContact CG-CG 4.42Å
324L96.9Very high93.9Very high8 Ų871.6 Ų71.64%0.04239%0.392CS..  trans-98.2-32.1178.8-55-174.8000111.8A265 P285 Q286 F289 P303 E328A265-L324 HydrophobicContact CB-CB 3.91Å; P285-L324 HydrophobicContact CB-CD1 3.71Å; Q286-L324 HydrophobicContact CB-CD1 4.33Å; F289-L324 HydrophobicContact CB-CD2 3.55Å; F289-L324 HydrophobicContact CD2-CD1 4.26Å; F289-L324 HydrophobicContact CD2-CD2 4.18Å; F289-L324 HydrophobicContact CG-CD2 4.27Å; P303-L324 WeakPolarHBondContact CB-O 3.38Å; L324-E328 PolarHBondContact N-OE2 2.97Å
325T97Very high93.7Very high13 Ų1375.5 Ų75.58%0.0839%0.392CS..SBendtrans-112.5158.9-176.766.80000112.1A265 N266 A305 N327 E328 L329A265-T325 HydrophobicContact CB-CG2 4.43Å; N266-T325 WeakPolarHBondContact OD1-CG2 3.5Å; A305-T325 VanDerWaalsContact CB-C 3.42Å; A305-T325 WeakPolarHBondContact CB-O 3.43Å; T325-N327 PolarHBondContact O-N 3.47Å; T325-E328 PolarHBondContact N-OE2 3.05Å; T325-E328 PolarHBondContact O-N 3.17Å; T325-E328 VanDerWaalsContact OG1-CG 3.26Å; T325-E328 WeakPolarHBondContact OG1-CG 3.49Å; T325-E328 PolarHBondContact OG1-N 3.39Å; T325-E328 PolarHBondContact OG1-OE1 2.96Å; T325-E328 VanDerWaalsContact OG1-OE1 3.04Å; T325-L329 PolarHBondContact O-N 3.3Å; T325-L329 VanDerWaalsContact O-N 3.15Å
326E95.9Very high93.4Very high139 Ų13971.2 Ų71.265%0.6538%0.38SS*.Hα-helixtrans-60.6-37.5175.9-67.5-176.317900111.7L329 A330E326-L329 PolarHBondContact O-N 3.23Å; E326-A330 WeakPolarHBondContact O-CB 3.27Å; E326-A330 PolarHBondContact O-N 2.96Å
327N95.7Very high93Very high115 Ų11571.8 Ų71.862%0.61538%0.378SS*.Hα-helixtrans-64.3-48.3178.1-67.7-21.1000111.4T325 L329 A330 D331T325-N327 PolarHBondContact O-N 3.47Å; N327-L329 VanDerWaalsContact C-N 3.3Å; N327-L329 PolarHBondContact O-N 3.35Å; N327-A330 WeakPolarHBondContact O-CB 3.46Å; N327-A330 PolarHBondContact O-N 3.07Å; N327-A330 VanDerWaalsContact O-N 3.14Å; N327-D331 PolarHBondContact O-N 3.46Å
328E95.8Very high92.3Very high78 Ų7873.8 Ų73.836%0.36440%0.404SS..Hα-helixtrans-58.8-41.6176.7-75.5161.1-14200112.4P323 L324 T325 W332P323-E328 HydrophobicContact CB-CB 3.81Å; L324-E328 PolarHBondContact N-OE2 2.97Å; T325-E328 PolarHBondContact N-OE2 3.05Å; T325-E328 PolarHBondContact O-N 3.17Å; T325-E328 VanDerWaalsContact OG1-CG 3.26Å; T325-E328 WeakPolarHBondContact OG1-CG 3.49Å; T325-E328 PolarHBondContact OG1-N 3.39Å; T325-E328 PolarHBondContact OG1-OE1 2.96Å; T325-E328 VanDerWaalsContact OG1-OE1 3.04Å; E328-W332 WeakPolarHBondContact O-CB 3.38Å; E328-W332 PolarHBondContact O-N 2.97Å
329L96.2Very high90.9Very high18 Ų1868.8 Ų68.89%0.09439%0.385CS..Hα-helixtrans-66.3-42.1176.9175.662.2000111.3A305 F308 M312 F319 P323 T325 E326 N327 W332 I333A305-L329 HydrophobicContact CB-CB 4.17Å; A305-L329 HydrophobicContact CB-CD2 4.23Å; F308-L329 HydrophobicContact CB-CD2 4.18Å; F308-L329 HydrophobicContact CD1-CD1 4.37Å; F308-L329 HydrophobicContact CD1-CD2 3.64Å; F308-L329 HydrophobicContact CE1-CD2 4.44Å; F308-L329 HydrophobicContact CG-CD2 4.25Å; M312-L329 HydrophobicContact SD-CD1 4.3Å; F319-L329 HydrophobicContact CE1-CD1 4.35Å; F319-L329 HydrophobicContact CZ-CD1 4.5Å; P323-L329 HydrophobicContact CB-CB 3.92Å; P323-L329 HydrophobicContact CG-CB 3.93Å; P323-L329 HydrophobicContact CG-CD1 3.83Å; P323-L329 HydrophobicContact CG-CG 4.42Å; T325-L329 PolarHBondContact O-N 3.3Å; T325-L329 VanDerWaalsContact O-N 3.15Å; E326-L329 PolarHBondContact O-N 3.23Å; N327-L329 VanDerWaalsContact C-N 3.3Å; N327-L329 PolarHBondContact O-N 3.35Å; L329-W332 PolarHBondContact O-N 3.4Å; L329-I333 HydrophobicContact CD1-CD1 4.02Å; L329-I333 HydrophobicContact CD1-CG1 4.27Å; L329-I333 HydrophobicContact CG-CD1 3.98Å; L329-I333 VanDerWaalsContact O-CG1 3.28Å; L329-I333 WeakPolarHBondContact O-CG1 3.31Å; L329-I333 PolarHBondContact O-N 3.46Å
330A95.3Very high89.2Confident47 Ų4774 Ų7439%0.38842%0.42SS..Hα-helixtrans-61.5-47.9177.100000111.3E326 N327 W332 I333 V334E326-A330 WeakPolarHBondContact O-CB 3.27Å; E326-A330 PolarHBondContact O-N 2.96Å; N327-A330 WeakPolarHBondContact O-CB 3.46Å; N327-A330 PolarHBondContact O-N 3.07Å; N327-A330 VanDerWaalsContact O-N 3.14Å; A330-W332 VanDerWaalsContact C-N 3.3Å; A330-W332 PolarHBondContact O-N 3.23Å; A330-I333 PolarHBondContact O-N 3.13Å; A330-I333 VanDerWaalsContact O-N 3.12Å; A330-V334 WeakPolarHBondContact O-CG2 3.22Å; A330-V334 PolarHBondContact O-N 2.73Å
331D93.3Very high87.5Confident93 Ų9368.3 Ų68.350%0.49741%0.406SS..Hα-helixtrans-59.1-42.5177.4-71-20.9000111.6N327 V334 K335N327-D331 PolarHBondContact O-N 3.46Å; D331-V334 PolarHBondContact O-N 3.35Å; D331-K335 WeakPolarHBondContact O-CB 3.25Å; D331-K335 PolarHBondContact O-N 3.02Å
332W94Very high85.5Confident55 Ų5573.7 Ų73.721%0.20842%0.423CS..Hα-helixtrans-62-44.9175.4-17396.9000111.8M312 V317 F319 E328 L329 A330 V334 K335 F336M312-W332 HydrophobicContact CE-CE3 4.43Å; M312-W332 HydrophobicContact CE-CZ3 3.76Å; V317-W332 HydrophobicContact CG1-CH2 3.14Å; V317-W332 HydrophobicContact CG1-CZ2 3.62Å; V317-W332 HydrophobicContact CG1-CZ3 3.9Å; F319-W332 AromaticContact CD1-CD1 3.8Å; F319-W332 AromaticContact CD1-CD2 3.74Å; F319-W332 HydrophobicContact CD1-CD2 3.74Å; F319-W332 AromaticContact CD1-CE2 3.56Å; F319-W332 HydrophobicContact CD1-CE3 4.39Å; F319-W332 AromaticContact CD1-CG 3.94Å; F319-W332 HydrophobicContact CD1-CG 3.94Å; F319-W332 HydrophobicContact CD1-CZ2 4.14Å; F319-W332 AromaticContact CD1-NE1 3.54Å; F319-W332 AromaticContact CE1-CD2 3.34Å; F319-W332 HydrophobicContact CE1-CD2 3.34Å; F319-W332 AromaticContact CE1-CE2 3.57Å; F319-W332 AromaticContact CE1-CE3 3.56Å; F319-W332 HydrophobicContact CE1-CE3 3.56Å; F319-W332 AromaticContact CE1-CG 3.8Å; F319-W332 HydrophobicContact CE1-CG 3.8Å; F319-W332 HydrophobicContact CE1-CH2 4.3Å; F319-W332 HydrophobicContact CE1-CZ2 4.05Å; F319-W332 HydrophobicContact CE1-CZ3 4.06Å; F319-W332 AromaticContact CE1-NE1 3.99Å; F319-W332 HydrophobicContact CZ-CD2 4.21Å; F319-W332 HydrophobicContact CZ-CE3 4.03Å; F319-W332 HydrophobicContact CZ-CH2 4.34Å; F319-W332 HydrophobicContact CZ-CZ2 4.42Å; F319-W332 HydrophobicContact CZ-CZ3 4.11Å; E328-W332 WeakPolarHBondContact O-CB 3.38Å; E328-W332 PolarHBondContact O-N 2.97Å; L329-W332 PolarHBondContact O-N 3.4Å; A330-W332 VanDerWaalsContact C-N 3.3Å; A330-W332 PolarHBondContact O-N 3.23Å; W332-V334 PolarHBondContact O-N 3.15Å; W332-K335 PolarHBondContact O-N 2.91Å; W332-F336 HydrophobicContact CD2-CB 4.45Å; W332-F336 HydrophobicContact CE3-CB 4.01Å; W332-F336 HydrophobicContact CH2-CB 3.59Å; W332-F336 AromaticContact CH2-CD1 3.98Å; W332-F336 HydrophobicContact CH2-CD1 3.98Å; W332-F336 AromaticContact CH2-CD2 3.33Å; W332-F336 HydrophobicContact CH2-CD2 3.33Å; W332-F336 AromaticContact CH2-CE2 3.95Å; W332-F336 HydrophobicContact CH2-CE2 3.95Å; W332-F336 AromaticContact CH2-CG 3.34Å; W332-F336 HydrophobicContact CH2-CG 3.34Å; W332-F336 HydrophobicContact CZ2-CB 4.15Å; W332-F336 AromaticContact CZ2-CD2 3.8Å; W332-F336 HydrophobicContact CZ2-CD2 3.8Å; W332-F336 HydrophobicContact CZ2-CG 4.12Å; W332-F336 HydrophobicContact CZ3-CB 3.54Å; W332-F336 HydrophobicContact CZ3-CD1 4.05Å; W332-F336 HydrophobicContact CZ3-CD2 4.13Å; W332-F336 AromaticContact CZ3-CG 3.64Å; W332-F336 HydrophobicContact CZ3-CG 3.64Å; W332-F336 WeakPolarHBondContact O-CB 3.42Å; W332-F336 PolarHBondContact O-N 3.24Å
333I92Very high83.2Confident70 Ų7080.1 Ų80.136%0.35946%0.458SS..Hα-helixtrans-62.6-44179.7-71.9167.8000110.8L329 A330 K335 F336 A337L329-I333 HydrophobicContact CD1-CD1 4.02Å; L329-I333 HydrophobicContact CD1-CG1 4.27Å; L329-I333 HydrophobicContact CG-CD1 3.98Å; L329-I333 VanDerWaalsContact O-CG1 3.28Å; L329-I333 WeakPolarHBondContact O-CG1 3.31Å; L329-I333 PolarHBondContact O-N 3.46Å; A330-I333 PolarHBondContact O-N 3.13Å; A330-I333 VanDerWaalsContact O-N 3.12Å; I333-K335 VanDerWaalsContact C-N 3.35Å; I333-K335 PolarHBondContact O-N 3.41Å; I333-F336 PolarHBondContact O-N 3.12Å; I333-A337 WeakPolarHBondContact O-CB 3.33Å; I333-A337 PolarHBondContact O-N 2.62Å
334V91.4Very high80.3Confident37 Ų3792.5 Ų92.522%0.22452%0.515CS..Hα-helixtrans-59.8-48177.9171.50000110.3A330 D331 W332 F336 A337 G338 G339 P340A330-V334 WeakPolarHBondContact O-CG2 3.22Å; A330-V334 PolarHBondContact O-N 2.73Å; D331-V334 PolarHBondContact O-N 3.35Å; W332-V334 PolarHBondContact O-N 3.15Å; V334-F336 PolarHBondContact O-N 2.83Å; V334-A337 PolarHBondContact O-N 3.32Å; V334-G338 PolarHBondContact O-N 3.47Å; V334-G339 PolarHBondContact O-N 3.47Å; V334-P340 WeakPolarHBondContact CG1-O 2.92Å
335K88.4Confident79.5Confident173 Ų17396.8 Ų96.875%0.75254%0.539SS*.Hα-helixtrans-61.3-42.9177.2-171.8-180-179.6-179.90112D331 W332 I333 G338D331-K335 WeakPolarHBondContact O-CB 3.25Å; D331-K335 PolarHBondContact O-N 3.02Å; W332-K335 PolarHBondContact O-N 2.91Å; I333-K335 VanDerWaalsContact C-N 3.35Å; I333-K335 PolarHBondContact O-N 3.41Å; K335-G338 PolarHBondContact O-N 3.43Å
336F87.2Confident78.6Confident139 Ų139101.2 Ų101.261%0.6156%0.563SS**Hα-helixtrans-66.9-37.3179.1-178.4-100000112.8W332 I333 V334 G338W332-F336 HydrophobicContact CD2-CB 4.45Å; W332-F336 HydrophobicContact CE3-CB 4.01Å; W332-F336 HydrophobicContact CH2-CB 3.59Å; W332-F336 AromaticContact CH2-CD1 3.98Å; W332-F336 HydrophobicContact CH2-CD1 3.98Å; W332-F336 AromaticContact CH2-CD2 3.33Å; W332-F336 HydrophobicContact CH2-CD2 3.33Å; W332-F336 AromaticContact CH2-CE2 3.95Å; W332-F336 HydrophobicContact CH2-CE2 3.95Å; W332-F336 AromaticContact CH2-CG 3.34Å; W332-F336 HydrophobicContact CH2-CG 3.34Å; W332-F336 HydrophobicContact CZ2-CB 4.15Å; W332-F336 AromaticContact CZ2-CD2 3.8Å; W332-F336 HydrophobicContact CZ2-CD2 3.8Å; W332-F336 HydrophobicContact CZ2-CG 4.12Å; W332-F336 HydrophobicContact CZ3-CB 3.54Å; W332-F336 HydrophobicContact CZ3-CD1 4.05Å; W332-F336 HydrophobicContact CZ3-CD2 4.13Å; W332-F336 AromaticContact CZ3-CG 3.64Å; W332-F336 HydrophobicContact CZ3-CG 3.64Å; W332-F336 WeakPolarHBondContact O-CB 3.42Å; W332-F336 PolarHBondContact O-N 3.24Å; I333-F336 PolarHBondContact O-N 3.12Å; V334-F336 PolarHBondContact O-N 2.83Å; F336-G338 PolarHBondContact O-N 3.06Å
337A85.9Confident77.6Confident81 Ų8199.1 Ų99.167%0.66956%0.558SS**THydrogen-bonded Turntrans-74.5-6.6177.600000113.7I333 V334 G339I333-A337 WeakPolarHBondContact O-CB 3.33Å; I333-A337 PolarHBondContact O-N 2.62Å; V334-A337 PolarHBondContact O-N 3.32Å; A337-G339 VanDerWaalsContact C-N 3.28Å
338G77.5Confident76.6Confident69 Ų6998.1 Ų98.171%0.71156%0.555SS**THydrogen-bonded Turntrans72.421.2-174.100000113.4V334 K335 F336V334-G338 PolarHBondContact O-N 3.47Å; K335-G338 PolarHBondContact O-N 3.43Å; F336-G338 PolarHBondContact O-N 3.06Å
339G62.4Low75.4Confident33 Ų3399.4 Ų99.434%0.3457%0.567SS.*PPolyproline II helixtrans-77.7155.717300000111.6V334 A337 A341V334-G339 PolarHBondContact O-N 3.47Å; A337-G339 VanDerWaalsContact C-N 3.28Å; G339-A341 PolarHBondContact O-N 3.29Å
340P56.1Low74Confident121 Ų121104.8 Ų104.879%0.78660%0.598SS**PPolyproline II helixtrans-61.5131.9168.826.9-30.8000108.8V334 H342V334-P340 WeakPolarHBondContact CG1-O 2.92Å; P340-H342 PolarHBondContact O-N 3.29Å
341A53.3Low72.5Confident77 Ų77108.9 Ų108.964%0.63661%0.613SS**PPolyproline II helixtrans-54.6138.5173.800000109.1G339 D343G339-A341 PolarHBondContact O-N 3.29Å; A341-D343 PolarHBondContact O-N 3.11Å
342H50.9Low70.9Confident160 Ų160110.2 Ų110.274%0.74162%0.622SS**PPolyproline II helixtrans-58.9126.3176.8-120-67.1000108.3P340P340-H342 PolarHBondContact O-N 3.29Å
343D45.4Very low68.9Low149 Ų149114.8 Ų114.880%0.79766%0.656SS**PPolyproline II helixtrans-52.4149.9-166.8-62.6-58.9000114.7A341A341-D343 PolarHBondContact O-N 3.11Å
344E36.4Very low66.8Low268 Ų268118.8 Ų118.8100%1.25268%0.684SS**  trans-45.80153.5-70.8-179.9151.300113.5

Retrieved 344 of 344 residues in 431 ms (Link to these results)

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