A0A077ZE82_TRITR Loading...

fumarate hydratase

AlphaFold DB , UniProt , Accession A0A077ZE82, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 548 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
1M69.2Low90.6Very high231 Ų231122.6 Ų122.6100%1.13863%0.633SS**  0146.50-65.5-179.8-166.800107.7
2S82Confident91.2Very high98 Ų98117.2 Ų117.269%0.68560%0.601SS**  trans-71.1133.6174.8-179.60000109.2K4S2-K4 PolarHBondContact OG-N 3.34Å
3N89Confident91.6Very high160 Ų160111 Ų11186%0.85657%0.574SS**  trans-100.115.1172.8-65.3-9.4000111.7
4K91.1Very high91.9Very high142 Ų142108 Ų10862%0.61756%0.557SS**PPolyproline II helixtrans-73.1138179.7-68.7-165.7173-167.10110.8S2 E262S2-K4 PolarHBondContact OG-N 3.34Å; K4-E262 IonicContact NZ-OE2 2.66Å; K4-E262 PolarHBondContact NZ-OE2 3.3Å
5P94.2Very high92.1Very high103 Ų103103.7 Ų103.767%0.66955%0.55SS*.PPolyproline II helixtrans-64.9154.9173.828.5-34.8000111.3I7P5-I7 HydrophobicContact CG-CD1 4.47Å; P5-I7 PolarHBondContact O-N 3.36Å
6F94.7Very high92.3Very high186 Ų186107.6 Ų107.682%0.81656%0.56SS**PPolyproline II helixtrans-67.4127.4171.9171.1-103.3000110.3
7I94.8Very high92.5Very high89 Ų89105.5 Ų105.546%0.45655%0.55SS.*  trans-134.8118.4174.4-63170.5000106.7P5 H263P5-I7 HydrophobicContact CG-CD1 4.47Å; P5-I7 PolarHBondContact O-N 3.36Å; I7-H263 VanDerWaalsContact CD1-CE1 3.46Å; I7-H263 WeakPolarHBondContact CD1-CE1 3.4Å
8Y95.7Very high92.6Very high177 Ų177105.3 Ų105.369%0.69455%0.55SS*.  trans-86.4134.4167.6172-111000109.5
9Q94.8Very high92.9Very high52 Ų52101.4 Ų101.424%0.24353%0.531CS..  trans-133.3134.9168.5-171177.134.200109.6P11 N261 H263Q9-P11 WeakPolarHBondContact O-CD 3.33Å; Q9-N261 VanDerWaalsContact CD-ND2 3.34Å; Q9-N261 PolarHBondContact NE2-ND2 3.08Å; Q9-N261 PolarHBondContact OE1-ND2 3.38Å; Q9-N261 PolarHBondContact OE1-OD1 2.83Å; Q9-N261 VanDerWaalsContact OE1-OD1 3.13Å; Q9-H263 HydrophobicContact CB-CB 4.2Å; Q9-H263 VanDerWaalsContact OE1-CB 3.25Å
10A95Very high93.1Very high40 Ų40102.6 Ų102.633%0.33153%0.534SS..  trans-60128.4170.200000109.7F12 P13A10-F12 PolarHBondContact O-N 2.65Å; A10-F12 VanDerWaalsContact O-N 3.17Å; A10-P13 WeakPolarHBondContact O-CD 3.41Å
11P95.9Very high93.4Very high71 Ų7199.4 Ų99.446%0.46152%0.515SS..SBendtrans-60.7-27-179.6-27.235.4000114.2Q9 A266Q9-P11 WeakPolarHBondContact O-CD 3.33Å; P11-A266 WeakPolarHBondContact O-CB 3.45Å; P11-A266 PolarHBondContact O-N 2.94Å
12F97.9Very high94.8Very high57 Ų5791.1 Ų91.125%0.2547%0.472CS..SBendtrans-124.577.8178.9-63.3-87.9000110A10 M14 T244 Y253 L256 A266 L303A10-F12 PolarHBondContact O-N 2.65Å; A10-F12 VanDerWaalsContact O-N 3.17Å; F12-M14 VanDerWaalsContact C-N 3.32Å; F12-M14 PolarHBondContact O-N 2.84Å; F12-T244 HydrophobicContact CE1-CG2 3.93Å; F12-T244 HydrophobicContact CZ-CG2 4.31Å; F12-Y253 HydrophobicContact CB-CE1 4.19Å; F12-Y253 HydrophobicContact CD1-CD1 4.01Å; F12-Y253 AromaticContact CD1-CE1 3.37Å; F12-Y253 HydrophobicContact CD1-CE1 3.37Å; F12-Y253 HydrophobicContact CD1-CE2 4.48Å; F12-Y253 AromaticContact CD1-CZ 3.65Å; F12-Y253 AromaticContact CE1-CE1 3.89Å; F12-Y253 HydrophobicContact CE1-CE1 3.89Å; F12-Y253 HydrophobicContact CE1-CE2 4.2Å; F12-Y253 AromaticContact CE1-CZ 3.66Å; F12-Y253 AromaticContact CG-CE1 3.92Å; F12-Y253 HydrophobicContact CG-CE1 3.92Å; F12-L256 HydrophobicContact CB-CD2 4.21Å; F12-L256 HydrophobicContact CD1-CD1 4.29Å; F12-L256 HydrophobicContact CD1-CD2 4.41Å; F12-A266 HydrophobicContact CD1-CB 3.68Å; F12-A266 HydrophobicContact CE1-CB 3.86Å; F12-A266 HydrophobicContact CG-CB 4.39Å; F12-L303 HydrophobicContact CE1-CD2 3.69Å; F12-L303 HydrophobicContact CZ-CD2 3.85Å
13P96.6Very high95.6Very high37 Ų3790.1 Ų90.124%0.2446%0.458CS..  trans-76.883-177.832.5-33.7000110.2A10 P257 Q265A10-P13 WeakPolarHBondContact O-CD 3.41Å; P13-P257 HydrophobicContact CG-CG 3.81Å; P13-P257 WeakPolarHBondContact O-CD 3.41Å; P13-Q265 HydrophobicContact CG-CB 3.97Å
14M95.9Very high96Very high69 Ų6984.7 Ų84.734%0.3443%0.429SS..  trans-64.7138.1-179.2-66.3-58.9-63.200112.4F12 Y252 Y253 E255 L256F12-M14 VanDerWaalsContact C-N 3.32Å; F12-M14 PolarHBondContact O-N 2.84Å; M14-Y252 WeakPolarHBondContact CE-O 3.41Å; M14-Y253 HydrophobicContact SD-CD1 3.64Å; M14-Y253 HydrophobicContact SD-CE1 4.25Å; M14-E255 HydrophobicContact CE-CB 4.02Å; M14-L256 HydrophobicContact SD-CD2 3.65Å; M14-L256 HydrophobicContact SD-CG 3.91Å
15G95.2Very high96.4Very high44 Ų4479 Ų7945%0.45441%0.406SS..  trans-72.9-166.8168.400000113.7E255G15-E255 WeakPolarHBondContact CA-O 3Å; G15-E255 PolarHBondContact N-O 3.01Å
16K95.3Very high96.6Very high165 Ų16577.7 Ų77.772%0.71740%0.399SS*.  trans-64.7134.3-179.1-177.2-175.8175.4-171.60110.7N18 E255K16-N18 PolarHBondContact O-N 3.14Å; K16-N18 PolarHBondContact O-ND2 2.78Å; K16-E255 WeakPolarHBondContact O-CG 3.27Å
17D95.1Very high96.8Very high73 Ų7373.3 Ų73.339%0.3938%0.384SS..  trans-72.3114.9170.7-171.222.9000110.3T19 Y21 K325D17-T19 WeakPolarHBondContact OD1-CB 3.4Å; D17-T19 PolarHBondContact OD1-N 2.79Å; D17-T19 PolarHBondContact OD1-OG1 3.07Å; D17-Y21 VanDerWaalsContact OD2-CE2 3.32Å; D17-Y21 WeakPolarHBondContact OD2-CE2 3.36Å; D17-Y21 PolarHBondContact OD2-OH 3.09Å; D17-K325 IonicContact OD1-NZ 3.87Å; D17-K325 PolarHBondContact OD1-NZ 3.43Å
18N94.8Very high96.9Very high101 Ų10172.9 Ų72.954%0.5438%0.377SS..  trans-99.47.4179.9-63.4-49.6000112.8K16 E255K16-N18 PolarHBondContact O-N 3.14Å; K16-N18 PolarHBondContact O-ND2 2.78Å; N18-E255 VanDerWaalsContact ND2-CD 3.35Å; N18-E255 PolarHBondContact ND2-OE1 3.07Å
19T97.4Very high97.1Very high31 Ų3165.7 Ų65.719%0.1935%0.352CS..  trans-66.7135.8177.4-690000111.4D17 Y21 K325 E336D17-T19 WeakPolarHBondContact OD1-CB 3.4Å; D17-T19 PolarHBondContact OD1-N 2.79Å; D17-T19 PolarHBondContact OD1-OG1 3.07Å; T19-Y21 HydrophobicContact CG2-CD2 4.1Å; T19-Y21 HydrophobicContact CG2-CE1 4.11Å; T19-Y21 HydrophobicContact CG2-CE2 3.64Å; T19-Y21 WeakPolarHBondContact O-CD2 3.28Å; T19-Y21 VanDerWaalsContact O-CE2 3.31Å; T19-Y21 WeakPolarHBondContact O-CE2 3.47Å; T19-K325 HydrophobicContact CG2-CD 4.22Å; T19-K325 WeakPolarHBondContact OG1-CD 3.5Å; T19-K325 PolarHBondContact OG1-NZ 3.11Å; T19-E336 HydrophobicContact CG2-CB 3.72Å; T19-E336 HydrophobicContact CG2-CG 3.55Å
20E97.9Very high97.2Very high125 Ų12565.6 Ų65.658%0.58436%0.357SS*.  trans-84.1127.4172.3-161.7-172.9161.600109.8E336 K337E20-E336 WeakPolarHBondContact O-CA 3.37Å; E20-K337 HydrophobicContact CG-CD 3.87Å; E20-K337 PolarHBondContact O-N 2.74Å; E20-K337 VanDerWaalsContact OE1-CD 3.3Å; E20-K337 WeakPolarHBondContact OE1-CD 3.38Å; E20-K337 WeakPolarHBondContact OE1-CE 3.41Å; E20-K337 IonicContact OE1-NZ 3.52Å; E20-K337 PolarHBondContact OE1-NZ 2.81Å
21Y98.6Very high97.4Very high36 Ų3667.7 Ų67.714%0.14137%0.366CS..EExtended strand (participates in β ladder)trans-115.6151.1179.8-63-96.4000111D17 T19 K325 W334 I335 E336 K337D17-Y21 VanDerWaalsContact OD2-CE2 3.32Å; D17-Y21 WeakPolarHBondContact OD2-CE2 3.36Å; D17-Y21 PolarHBondContact OD2-OH 3.09Å; T19-Y21 HydrophobicContact CG2-CD2 4.1Å; T19-Y21 HydrophobicContact CG2-CE1 4.11Å; T19-Y21 HydrophobicContact CG2-CE2 3.64Å; T19-Y21 WeakPolarHBondContact O-CD2 3.28Å; T19-Y21 VanDerWaalsContact O-CE2 3.31Å; T19-Y21 WeakPolarHBondContact O-CE2 3.47Å; Y21-K325 HydrophobicContact CE1-CB 3.88Å; Y21-K325 WeakPolarHBondContact OH-CB 3.44Å; Y21-K325 WeakPolarHBondContact OH-CD 3.4Å; Y21-W334 HydrophobicContact CD1-CB 4.18Å; Y21-W334 HydrophobicContact CG-CB 4.39Å; Y21-I335 CarbonylContact C-O 3.6Å; Y21-I335 WeakPolarHBondContact CA-O 3.39Å; Y21-E336 HydrophobicContact CD1-CB 4.42Å; Y21-E336 HydrophobicContact CE1-CB 4.34Å; Y21-K337 WeakPolarHBondContact O-CE 3.48Å
22Y98.6Very high97.4Very high58 Ų5866.2 Ų66.223%0.22736%0.36CS..EExtended strand (participates in β ladder)trans-105.2150.3161.471.8-89.7000110L24 Q53 D57 W334 I335 K337Y22-L24 HydrophobicContact CE2-CB 4.18Å; Y22-L24 HydrophobicContact CE2-CD1 4.18Å; Y22-Q53 WeakPolarHBondContact OH-CG 3.08Å; Y22-D57 PolarHBondContact OH-OD2 2.68Å; Y22-W334 WeakPolarHBondContact O-CA 2.97Å; Y22-I335 HydrophobicContact CD1-CB 4.14Å; Y22-I335 VanDerWaalsContact CD1-O 3.26Å; Y22-I335 WeakPolarHBondContact CD1-O 3.39Å; Y22-I335 HydrophobicContact CE1-CB 3.53Å; Y22-I335 HydrophobicContact CE1-CG2 3.63Å; Y22-I335 HydrophobicContact CE2-CB 4.19Å; Y22-I335 HydrophobicContact CE2-CG1 4.46Å; Y22-I335 PolarHBondContact N-O 3.44Å; Y22-I335 PolarHBondContact O-N 3.06Å; Y22-K337 HydrophobicContact CD1-CG 3.85Å; Y22-K337 HydrophobicContact CG-CG 4.39Å
23L98.7Very high97.4Very high77 Ų7769.7 Ų69.740%0.40338%0.38SS..EExtended strand (participates in β ladder)trans-81.2118.3172.4-179.168.1000108.1T25 W334L23-T25 WeakPolarHBondContact CD1-O 3.35Å; L23-W334 HydrophobicContact CB-CD2 4.43Å; L23-W334 HydrophobicContact CB-CE3 3.96Å; L23-W334 HydrophobicContact CB-CH2 4.02Å; L23-W334 HydrophobicContact CB-CZ2 4.48Å; L23-W334 HydrophobicContact CB-CZ3 3.75Å; L23-W334 HydrophobicContact CD1-CD2 4Å; L23-W334 HydrophobicContact CD1-CE3 4.38Å; L23-W334 HydrophobicContact CD1-CH2 4.23Å; L23-W334 HydrophobicContact CD1-CZ2 3.84Å; L23-W334 HydrophobicContact CD1-CZ3 4.49Å
24L98.7Very high97.3Very high45 Ų4573.8 Ų73.824%0.23640%0.395CS..EExtended strand (participates in β ladder)trans-77.3-48.8176.4177.558.7000110.9Y22 L49 Q53 I333 I335Y22-L24 HydrophobicContact CE2-CB 4.18Å; Y22-L24 HydrophobicContact CE2-CD1 4.18Å; L24-L49 HydrophobicContact CD2-CD1 4.32Å; L24-L49 HydrophobicContact CD2-CD2 4.28Å; L24-L49 HydrophobicContact CD2-CG 3.84Å; L24-Q53 HydrophobicContact CD1-CB 4.48Å; L24-Q53 HydrophobicContact CD1-CG 3.97Å; L24-Q53 HydrophobicContact CD2-CB 3.76Å; L24-Q53 HydrophobicContact CD2-CG 4.04Å; L24-I333 HydrophobicContact CB-CB 4.33Å; L24-I333 HydrophobicContact CB-CG2 4.31Å; L24-I333 WeakPolarHBondContact CB-O 3.44Å; L24-I333 HydrophobicContact CD2-CG2 4.1Å; L24-I333 PolarHBondContact N-O 3.13Å; L24-I335 HydrophobicContact CB-CG1 4.24Å; L24-I335 HydrophobicContact CD2-CG1 4.16Å
25T98.7Very high97.3Very high24 Ų2478.1 Ų78.115%0.14742%0.419CS..EExtended strand (participates in β ladder)trans-160.6152.9173.2-1780000110L23 D27 Y28 L49 G332 I333L23-T25 WeakPolarHBondContact CD1-O 3.35Å; T25-D27 HydrophobicContact CG2-CB 4.38Å; T25-D27 WeakPolarHBondContact OG1-CB 3.31Å; T25-D27 PolarHBondContact OG1-N 3.42Å; T25-D27 PolarHBondContact OG1-OD2 3.2Å; T25-Y28 HydrophobicContact CG2-CD2 3.93Å; T25-Y28 HydrophobicContact CG2-CE2 4.06Å; T25-L49 HydrophobicContact CG2-CD2 3.83Å; T25-G332 WeakPolarHBondContact O-CA 3.3Å; T25-I333 HydrophobicContact CG2-CB 4.4Å; T25-I333 HydrophobicContact CG2-CD1 3.82Å; T25-I333 HydrophobicContact CG2-CG1 4.19Å; T25-I333 PolarHBondContact O-N 2.67Å
26S98.3Very high97.3Very high74 Ų7479.6 Ų79.652%0.51743%0.434SS..SBendtrans-89.8-3168.254.70000113.3
27D98.3Very high97.3Very high95 Ų9576.3 Ų76.351%0.50842%0.422SS..  trans-75.7173.8179.3-58.7-30000111.7T25 V29T25-D27 HydrophobicContact CG2-CB 4.38Å; T25-D27 WeakPolarHBondContact OG1-CB 3.31Å; T25-D27 PolarHBondContact OG1-N 3.42Å; T25-D27 PolarHBondContact OG1-OD2 3.2Å; D27-V29 PolarHBondContact O-N 3.12Å
28Y98.5Very high97.4Very high79 Ų7975.1 Ų75.131%0.3142%0.417SS..SBendtrans65.33.3175.5-46.1-72.1000116.2T25 V42 E43 E45 A46 L49 I333T25-Y28 HydrophobicContact CG2-CD2 3.93Å; T25-Y28 HydrophobicContact CG2-CE2 4.06Å; Y28-V42 WeakPolarHBondContact O-CA 3.26Å; Y28-E43 HydrophobicContact CD1-CB 4.31Å; Y28-E43 WeakPolarHBondContact CD1-OE2 3.41Å; Y28-E43 PolarHBondContact O-N 2.97Å; Y28-E45 HydrophobicContact CD1-CB 3.82Å; Y28-E45 HydrophobicContact CE1-CB 3.76Å; Y28-A46 HydrophobicContact CG-CB 4.35Å; Y28-L49 HydrophobicContact CD2-CD2 4.29Å; Y28-L49 HydrophobicContact CE2-CD2 3.7Å; Y28-I333 HydrophobicContact CD2-CD1 4.16Å
29V98.5Very high97.6Very high26 Ų2670.6 Ų70.616%0.15839%0.393CS..EExtended strand (participates in β ladder)trans-118.3140.5174.8-61.20000110.7D27 L40 K41 I328D27-V29 PolarHBondContact O-N 3.12Å; V29-L40 HydrophobicContact CB-CD1 4.13Å; V29-L40 HydrophobicContact CG1-CD1 4.47Å; V29-K41 WeakPolarHBondContact CA-O 3.39Å; V29-I328 HydrophobicContact CG1-CG2 3.52Å
30S98.3Very high97.6Very high51 Ų5169.3 Ų69.336%0.35739%0.385SS..EExtended strand (participates in β ladder)trans-144.9158.2168.955.10000109.9K41S30-K41 PolarHBondContact N-O 2.97Å; S30-K41 PolarHBondContact O-N 3.28Å
31V97.7Very high97.7Very high84 Ų8468.1 Ų68.151%0.50938%0.378SS..EExtended strand (participates in β ladder)trans-110.1140.8174.2-65.20000109.9T38 I39 L40 R330V31-T38 HydrophobicContact CB-CG2 4.06Å; V31-T38 HydrophobicContact CG1-CG2 4.23Å; V31-I39 WeakPolarHBondContact CA-O 3.28Å; V31-L40 HydrophobicContact CG1-CD1 4.45Å; V31-R330 HydrophobicContact CG1-CB 3.92Å
32A97.1Very high97.7Very high40 Ų4066.6 Ų66.633%0.33137%0.372SS..EExtended strand (participates in β ladder)trans-138.7147.8173.300000109.5I39 K41A32-I39 PolarHBondContact N-O 3.17Å; A32-I39 WeakPolarHBondContact O-CB 3.31Å; A32-I39 PolarHBondContact O-N 2.93Å; A32-K41 HydrophobicContact CB-CD 4.04Å
33D96.9Very high97.7Very high129 Ų12968.4 Ų68.469%0.6938%0.383SS*.EExtended strand (participates in β ladder)trans-87.7131.8173-64-65.3000110.2
34F96Very high97.6Very high124 Ų12467.1 Ų67.154%0.54438%0.379SS..EExtended strand (participates in β ladder)trans-136.1118.2173.5-178-97.1000109.4G36 E37 I39 W122F34-G36 PolarHBondContact O-N 3.42Å; F34-E37 PolarHBondContact N-O 3.21Å; F34-E37 PolarHBondContact O-N 3.14Å; F34-I39 HydrophobicContact CB-CD1 4.48Å; F34-I39 HydrophobicContact CB-CG1 3.7Å; F34-W122 HydrophobicContact CB-CH2 3.99Å; F34-W122 AromaticContact CD1-CH2 3.91Å; F34-W122 HydrophobicContact CD1-CH2 3.91Å; F34-W122 HydrophobicContact CD1-CZ2 4.09Å; F34-W122 AromaticContact CD2-CH2 3.87Å; F34-W122 HydrophobicContact CD2-CH2 3.87Å; F34-W122 HydrophobicContact CE1-CH2 4.35Å; F34-W122 HydrophobicContact CE2-CH2 4.32Å; F34-W122 AromaticContact CG-CH2 3.64Å; F34-W122 HydrophobicContact CG-CH2 3.64Å; F34-W122 HydrophobicContact CG-CZ2 4.24Å
35D95.5Very high97.6Very high159 Ų15969.9 Ų69.985%0.8539%0.391SS*.THydrogen-bonded Turntrans50.938.3-178.9-156.623.5000113.9E37D35-E37 VanDerWaalsContact C-N 3.29Å; D35-E37 PolarHBondContact O-N 3Å
36G95Very high97.6Very high75 Ų7568.7 Ų68.777%0.77338%0.384SS*.THydrogen-bonded Turntrans81.8-1.9-179.600000115.5F34F34-G36 PolarHBondContact O-N 3.42Å
37E95.5Very high97.7Very high96 Ų9665.2 Ų65.245%0.44936%0.359SS..EExtended strand (participates in β ladder)trans-102.6136.7176.3-67.4-72.3158.400111F34 D35 I39 R120F34-E37 PolarHBondContact N-O 3.21Å; F34-E37 PolarHBondContact O-N 3.14Å; D35-E37 VanDerWaalsContact C-N 3.29Å; D35-E37 PolarHBondContact O-N 3Å; E37-I39 HydrophobicContact CB-CD1 4.43Å; E37-I39 PolarHBondContact O-N 3.32Å; E37-R120 VanDerWaalsContact OE2-CD 3.32Å; E37-R120 WeakPolarHBondContact OE2-CD 3.32Å; E37-R120 IonicContact OE2-CZ 3.61Å; E37-R120 IonicContact OE2-NE 3.8Å; E37-R120 IonicContact OE2-NH1 2.74Å; E37-R120 PolarHBondContact OE2-NH1 3.39Å
38T96.9Very high97.7Very high48 Ų4861.9 Ų61.929%0.29434%0.342SS..EExtended strand (participates in β ladder)trans-77.1116.8172.4-55.80000110V31 R120V31-T38 HydrophobicContact CB-CG2 4.06Å; V31-T38 HydrophobicContact CG1-CG2 4.23Å; T38-R120 WeakPolarHBondContact O-CD 3.31Å
39I98.3Very high97.7Very high7 Ų760.4 Ų60.44%0.03634%0.339CS..EExtended strand (participates in β ladder)trans-98.8128177.1-55.2-54.7000109.7V31 A32 F34 E37 K41 R120 W122V31-I39 WeakPolarHBondContact CA-O 3.28Å; A32-I39 PolarHBondContact N-O 3.17Å; A32-I39 WeakPolarHBondContact O-CB 3.31Å; A32-I39 PolarHBondContact O-N 2.93Å; F34-I39 HydrophobicContact CB-CD1 4.48Å; F34-I39 HydrophobicContact CB-CG1 3.7Å; E37-I39 HydrophobicContact CB-CD1 4.43Å; E37-I39 PolarHBondContact O-N 3.32Å; I39-K41 HydrophobicContact CG2-CG 4.47Å; I39-R120 HydrophobicContact CD1-CB 3.97Å; I39-R120 HydrophobicContact CD1-CG 3.98Å; I39-W122 HydrophobicContact CD1-CZ2 4.17Å; I39-W122 HydrophobicContact CG1-CH2 4.29Å; I39-W122 HydrophobicContact CG1-CZ2 4.06Å; I39-W122 HydrophobicContact CG2-CB 4.09Å; I39-W122 HydrophobicContact CG2-CD2 3.4Å; I39-W122 VanDerWaalsContact CG2-CD2 3.4Å; I39-W122 HydrophobicContact CG2-CE3 3.76Å; I39-W122 HydrophobicContact CG2-CG 3.56Å; I39-W122 HydrophobicContact CG2-CZ2 4.28Å; I39-W122 HydrophobicContact CG2-CZ3 4.33Å
40L98.6Very high97.7Very high3 Ų359.2 Ų59.22%0.01633%0.332CS..EExtended strand (participates in β ladder)trans-81.8112.7165.8-179.766.7000109V29 V31 V42 R120 V121 W122 D176 I328 R330V29-L40 HydrophobicContact CB-CD1 4.13Å; V29-L40 HydrophobicContact CG1-CD1 4.47Å; V31-L40 HydrophobicContact CG1-CD1 4.45Å; L40-V42 HydrophobicContact CD2-CG2 3.93Å; L40-V42 HydrophobicContact CG-CG2 3.84Å; L40-R120 PolarHBondContact N-O 3.42Å; L40-V121 HydrophobicContact CB-CG2 4.45Å; L40-V121 HydrophobicContact CD2-CG1 4.46Å; L40-V121 HydrophobicContact CD2-CG2 4.2Å; L40-V121 CarbonylContact O-C 3.55Å; L40-V121 WeakPolarHBondContact O-CA 3.38Å; L40-W122 PolarHBondContact O-N 3.19Å; L40-D176 WeakPolarHBondContact CD2-O 3.33Å; L40-I328 HydrophobicContact CD2-CG2 4.44Å; L40-R330 HydrophobicContact CD1-CB 4.4Å
41K98.6Very high97.7Very high100 Ų10056.8 Ų56.844%0.43532%0.315SS..EExtended strand (participates in β ladder)trans-90127.3169.3-63.2178.167.6-168.20108.8V29 S30 A32 I39 W122V29-K41 WeakPolarHBondContact CA-O 3.39Å; S30-K41 PolarHBondContact N-O 2.97Å; S30-K41 PolarHBondContact O-N 3.28Å; A32-K41 HydrophobicContact CB-CD 4.04Å; I39-K41 HydrophobicContact CG2-CG 4.47Å; K41-W122 WeakPolarHBondContact CA-O 3.47Å
42V98.8Very high97.8Very high5 Ų554.9 Ų54.93%0.0330%0.301CS..EExtended strand (participates in β ladder)trans-120.1121.4-179.9179.60000107.7Y28 L40 A46 V121 W122 T123 I328Y28-V42 WeakPolarHBondContact O-CA 3.26Å; L40-V42 HydrophobicContact CD2-CG2 3.93Å; L40-V42 HydrophobicContact CG-CG2 3.84Å; V42-A46 HydrophobicContact CG1-CB 3.54Å; V42-V121 HydrophobicContact CG2-CG1 3.73Å; V42-W122 PolarHBondContact N-O 3.5Å; V42-T123 HydrophobicContact CB-CG2 4.19Å; V42-T123 WeakPolarHBondContact O-CA 3.31Å; V42-I328 HydrophobicContact CG1-CD1 3.88Å; V42-I328 HydrophobicContact CG1-CG2 4.13Å; V42-I328 HydrophobicContact CG2-CG2 3.79Å
43E98.5Very high97.9Very high96 Ų9655.3 Ų55.345%0.44930%0.296SS..  trans-69.6143175.3-60.7178.7-175.800110.1Y28 E45 A46Y28-E43 HydrophobicContact CD1-CB 4.31Å; Y28-E43 WeakPolarHBondContact CD1-OE2 3.41Å; Y28-E43 PolarHBondContact O-N 2.97Å; E43-E45 PolarHBondContact O-N 3.38Å; E43-E45 VanDerWaalsContact O-N 3.11Å; E43-A46 WeakPolarHBondContact O-CB 3.31Å; E43-A46 PolarHBondContact O-N 2.79Å
44P98.2Very high98Very high49 Ų4949.1 Ų49.132%0.31826%0.263SS..Hα-helixtrans-54.1-31-179.6-2633.7000114.3A46 L47 T48 T130P44-A46 PolarHBondContact O-N 2.78Å; P44-L47 WeakPolarHBondContact O-CB 3.35Å; P44-L47 PolarHBondContact O-N 2.89Å; P44-L47 VanDerWaalsContact O-N 3.12Å; P44-T48 PolarHBondContact O-N 2.91Å; P44-T130 HydrophobicContact CB-CG2 3.56Å
45E98.3Very high98.1Very high103 Ų10343.2 Ų43.248%0.48124%0.237SC..Hα-helixtrans-58.4-31.5174.7-7074.6-17000112.2Y28 E43 L47 T48 L49Y28-E45 HydrophobicContact CD1-CB 3.82Å; Y28-E45 HydrophobicContact CE1-CB 3.76Å; E43-E45 PolarHBondContact O-N 3.38Å; E43-E45 VanDerWaalsContact O-N 3.11Å; E45-L47 VanDerWaalsContact C-N 3.31Å; E45-L47 PolarHBondContact O-N 2.88Å; E45-T48 PolarHBondContact O-N 3.31Å; E45-L49 WeakPolarHBondContact O-CB 3.35Å; E45-L49 PolarHBondContact O-N 3.35Å
46A98.7Very high98.3Very high0 Ų038.1 Ų38.10%021%0.208CC..Hα-helixtrans-60.7-41.2175.500000111.9Y28 V42 E43 P44 L50 I328 I333Y28-A46 HydrophobicContact CG-CB 4.35Å; V42-A46 HydrophobicContact CG1-CB 3.54Å; E43-A46 WeakPolarHBondContact O-CB 3.31Å; E43-A46 PolarHBondContact O-N 2.79Å; P44-A46 PolarHBondContact O-N 2.78Å; A46-L50 WeakPolarHBondContact O-CB 3.43Å; A46-L50 PolarHBondContact O-N 3.06Å; A46-I328 HydrophobicContact CB-CD1 4.11Å; A46-I333 HydrophobicContact CB-CD1 3.7Å; A46-I333 HydrophobicContact CB-CG1 4.37Å
47L98.9Very high98.4Very high0 Ų035 Ų350%017%0.173CC..Hα-helixtrans-69.5-39.2-179.8-60.3-179.8000111P44 E45 A51 T123 D127 T130 L131 Y178 F180 I328P44-L47 WeakPolarHBondContact O-CB 3.35Å; P44-L47 PolarHBondContact O-N 2.89Å; P44-L47 VanDerWaalsContact O-N 3.12Å; E45-L47 VanDerWaalsContact C-N 3.31Å; E45-L47 PolarHBondContact O-N 2.88Å; L47-A51 WeakPolarHBondContact O-CB 3.29Å; L47-A51 PolarHBondContact O-N 2.8Å; L47-T123 HydrophobicContact CD1-CG2 4.17Å; L47-D127 HydrophobicContact CD1-CB 3.88Å; L47-T130 WeakPolarHBondContact CD1-OG1 3.47Å; L47-L131 HydrophobicContact CB-CD2 4.03Å; L47-L131 HydrophobicContact CB-CG 4.2Å; L47-L131 HydrophobicContact CD2-CD2 4.47Å; L47-Y178 HydrophobicContact CD2-CD1 4.1Å; L47-Y178 HydrophobicContact CD2-CE1 3.96Å; L47-F180 HydrophobicContact CD2-CE1 4.39Å; L47-F180 HydrophobicContact CD2-CE2 4.45Å; L47-F180 HydrophobicContact CD2-CZ 3.66Å; L47-I328 HydrophobicContact CD2-CD1 3.79Å
48T98.8Very high98.6Very high25 Ų2530.4 Ų30.415%0.15315%0.152CC..Hα-helixtrans-61.3-51.3174.4-58.40000110.6P44 E45 A51 Q52 T130 K133 G134P44-T48 PolarHBondContact O-N 2.91Å; E45-T48 PolarHBondContact O-N 3.31Å; T48-A51 PolarHBondContact O-N 3.3Å; T48-Q52 VanDerWaalsContact O-CB 3.31Å; T48-Q52 WeakPolarHBondContact O-CB 3.22Å; T48-Q52 PolarHBondContact O-N 3.23Å; T48-T130 WeakPolarHBondContact CA-O 3.42Å; T48-T130 PolarHBondContact OG1-O 2.74Å; T48-T130 VanDerWaalsContact OG1-O 3.12Å; T48-K133 HydrophobicContact CG2-CB 4.19Å; T48-K133 HydrophobicContact CG2-CG 3.86Å; T48-G134 VanDerWaalsContact O-CA 3.26Å; T48-G134 WeakPolarHBondContact O-CA 3.39Å
49L98.8Very high98.7Very high49 Ų4928.1 Ų28.126%0.25714%0.138SC..Hα-helixtrans-63.8-44.3-179.217959.7000112L24 T25 Y28 E45 Q52 Q53 I333L24-L49 HydrophobicContact CD2-CD1 4.32Å; L24-L49 HydrophobicContact CD2-CD2 4.28Å; L24-L49 HydrophobicContact CD2-CG 3.84Å; T25-L49 HydrophobicContact CG2-CD2 3.83Å; Y28-L49 HydrophobicContact CD2-CD2 4.29Å; Y28-L49 HydrophobicContact CE2-CD2 3.7Å; E45-L49 WeakPolarHBondContact O-CB 3.35Å; E45-L49 PolarHBondContact O-N 3.35Å; L49-Q52 PolarHBondContact O-N 2.93Å; L49-Q53 WeakPolarHBondContact O-CB 3.46Å; L49-Q53 PolarHBondContact O-N 2.87Å; L49-I333 HydrophobicContact CD2-CD1 4.23Å
50L98.9Very high98.7Very high0 Ų027.9 Ų27.90%014%0.136CC..Hα-helixtrans-58.5-51.5176.5178157.9000111.1A46 Q52 A54 F180 A326 I328 I333 I335A46-L50 WeakPolarHBondContact O-CB 3.43Å; A46-L50 PolarHBondContact O-N 3.06Å; L50-Q52 VanDerWaalsContact C-N 3.34Å; L50-Q52 PolarHBondContact O-N 3.02Å; L50-A54 WeakPolarHBondContact O-CB 3.33Å; L50-A54 PolarHBondContact O-N 3.38Å; L50-F180 HydrophobicContact CD1-CD2 3.56Å; L50-F180 HydrophobicContact CD1-CE2 3.66Å; L50-F180 HydrophobicContact CD1-CG 4.36Å; L50-F180 HydrophobicContact CD2-CB 4.42Å; L50-F180 HydrophobicContact CD2-CD2 4.14Å; L50-F180 HydrophobicContact CD2-CG 4.13Å; L50-A326 HydrophobicContact CD1-CB 3.82Å; L50-A326 HydrophobicContact CD2-CB 3.92Å; L50-A326 HydrophobicContact CG-CB 3.87Å; L50-I328 HydrophobicContact CD1-CD1 3.84Å; L50-I328 HydrophobicContact CD1-CG1 3.61Å; L50-I333 HydrophobicContact CB-CG2 3.92Å; L50-I333 HydrophobicContact CD1-CG2 4.03Å; L50-I333 HydrophobicContact CG-CG2 4.2Å; L50-I335 HydrophobicContact CG-CD1 3.98Å
51A98.9Very high98.7Very high0 Ų029.2 Ų29.20%014%0.143CC..Hα-helixtrans-63.6-42.6-179.300000111L47 T48 A54 F55 I113 L131L47-A51 WeakPolarHBondContact O-CB 3.29Å; L47-A51 PolarHBondContact O-N 2.8Å; T48-A51 PolarHBondContact O-N 3.3Å; A51-A54 PolarHBondContact O-N 3.12Å; A51-F55 VanDerWaalsContact O-CD2 3.22Å; A51-F55 WeakPolarHBondContact O-CD2 3.43Å; A51-F55 PolarHBondContact O-N 3.44Å; A51-I113 HydrophobicContact CB-CD1 4.4Å; A51-L131 HydrophobicContact CB-CD2 4.07Å
52Q98.8Very high98.7Very high44 Ų4424.7 Ų24.721%0.20612%0.124CC..Hα-helixtrans-59.1-52.1178.9-178.1166.9-9.800111.9T48 L49 L50 A54 F55 H56 G134 N137 T138 E141T48-Q52 VanDerWaalsContact O-CB 3.31Å; T48-Q52 WeakPolarHBondContact O-CB 3.22Å; T48-Q52 PolarHBondContact O-N 3.23Å; L49-Q52 PolarHBondContact O-N 2.93Å; L50-Q52 VanDerWaalsContact C-N 3.34Å; L50-Q52 PolarHBondContact O-N 3.02Å; Q52-A54 PolarHBondContact O-N 3.46Å; Q52-F55 PolarHBondContact O-N 3.14Å; Q52-H56 WeakPolarHBondContact O-CB 3.36Å; Q52-H56 PolarHBondContact O-N 3.19Å; Q52-G134 WeakPolarHBondContact CA-O 3.37Å; Q52-N137 HydrophobicContact CG-CB 4.26Å; Q52-N137 VanDerWaalsContact OE1-CB 3.29Å; Q52-N137 PolarHBondContact OE1-ND2 3.28Å; Q52-T138 VanDerWaalsContact CA-OG1 3.29Å; Q52-T138 WeakPolarHBondContact CA-OG1 3.33Å; Q52-T138 PolarHBondContact O-OG1 2.81Å; Q52-E141 PolarHBondContact NE2-OE2 3.31Å
53Q98.8Very high98.7Very high49 Ų4925.5 Ų25.523%0.22913%0.126CC..Hα-helixtrans-65.4-41.9179.8-169.26549.800112.1Y22 L24 L49 F55 H56 D57 I335Y22-Q53 WeakPolarHBondContact OH-CG 3.08Å; L24-Q53 HydrophobicContact CD1-CB 4.48Å; L24-Q53 HydrophobicContact CD1-CG 3.97Å; L24-Q53 HydrophobicContact CD2-CB 3.76Å; L24-Q53 HydrophobicContact CD2-CG 4.04Å; L49-Q53 WeakPolarHBondContact O-CB 3.46Å; L49-Q53 PolarHBondContact O-N 2.87Å; Q53-F55 PolarHBondContact O-N 3.25Å; Q53-H56 PolarHBondContact O-N 3.25Å; Q53-D57 PolarHBondContact NE2-OD1 3.34Å; Q53-D57 WeakPolarHBondContact O-CB 3.35Å; Q53-D57 PolarHBondContact O-N 3.07Å; Q53-I335 HydrophobicContact CG-CG1 4.46Å
54A98.8Very high98.6Very high0 Ų022.8 Ų22.80%012%0.117CC..Hα-helixtrans-61.2-45179.800000112.3L50 A51 Q52 A58 C182 I324L50-A54 WeakPolarHBondContact O-CB 3.33Å; L50-A54 PolarHBondContact O-N 3.38Å; A51-A54 PolarHBondContact O-N 3.12Å; Q52-A54 PolarHBondContact O-N 3.46Å; A54-A58 WeakPolarHBondContact O-CB 3.24Å; A54-A58 PolarHBondContact O-N 2.94Å; A54-C182 HydrophobicContact CB-CB 4.04Å; A54-I324 HydrophobicContact CB-CG2 3.72Å; A54-I324 WeakPolarHBondContact O-CG2 3.32Å
55F98.9Very high98.6Very high0 Ų023.3 Ų23.30%013%0.125CC..Hα-helixtrans-74.9-29.5178.8-78.1-72.2000113.1A51 Q52 Q53 S59 A111 I113 V135 T138 C182 A184A51-F55 VanDerWaalsContact O-CD2 3.22Å; A51-F55 WeakPolarHBondContact O-CD2 3.43Å; A51-F55 PolarHBondContact O-N 3.44Å; Q52-F55 PolarHBondContact O-N 3.14Å; Q53-F55 PolarHBondContact O-N 3.25Å; F55-S59 VanDerWaalsContact O-CB 3.27Å; F55-S59 WeakPolarHBondContact O-CB 3.49Å; F55-S59 PolarHBondContact O-N 2.78Å; F55-S59 VanDerWaalsContact O-N 3.13Å; F55-S59 PolarHBondContact O-OG 2.57Å; F55-A111 HydrophobicContact CD1-CB 4.31Å; F55-A111 HydrophobicContact CE1-CB 3.66Å; F55-A111 HydrophobicContact CE2-CB 4.26Å; F55-A111 HydrophobicContact CZ-CB 3.63Å; F55-I113 HydrophobicContact CE2-CD1 3.84Å; F55-I113 HydrophobicContact CE2-CG1 3.71Å; F55-I113 HydrophobicContact CZ-CD1 4.43Å; F55-I113 HydrophobicContact CZ-CG1 3.84Å; F55-V135 HydrophobicContact CD2-CG2 3.65Å; F55-V135 HydrophobicContact CE2-CG2 3.48Å; F55-V135 VanDerWaalsContact CE2-CG2 3.48Å; F55-V135 HydrophobicContact CZ-CG2 4.25Å; F55-T138 HydrophobicContact CB-CG2 3.97Å; F55-C182 HydrophobicContact CE2-CB 4.19Å; F55-C182 HydrophobicContact CZ-CB 4.07Å; F55-A184 HydrophobicContact CD1-CB 4.35Å; F55-A184 HydrophobicContact CE1-CB 4.45Å
56H98.7Very high98.6Very high51 Ų5118.6 Ų18.624%0.23610%0.103CC..Hα-helixtrans-60.3-59.3168.2179.383.2000110Q52 Q53 A58 S59 F60 T138 D142Q52-H56 WeakPolarHBondContact O-CB 3.36Å; Q52-H56 PolarHBondContact O-N 3.19Å; Q53-H56 PolarHBondContact O-N 3.25Å; H56-A58 VanDerWaalsContact C-N 3.34Å; H56-A58 PolarHBondContact O-N 3.32Å; H56-S59 WeakPolarHBondContact O-CB 3.32Å; H56-S59 PolarHBondContact O-N 3Å; H56-F60 AromaticContact CE1-CD2 3.65Å; H56-F60 AromaticContact CE1-CE2 3.63Å; H56-F60 AromaticContact ND1-CD2 3.77Å; H56-F60 AromaticContact ND1-CE2 3.58Å; H56-F60 AromaticContact NE2-CD2 3.98Å; H56-F60 WeakPolarHBondContact O-CD2 3.46Å; H56-F60 PolarHBondContact O-N 2.91Å; H56-T138 HydrophobicContact CB-CG2 4.23Å; H56-D142 IonicContact CE1-OD1 3.82Å; H56-D142 IonicContact CE1-OD2 2.74Å; H56-D142 IonicContact CG-OD2 3.73Å; H56-D142 IonicContact ND1-OD1 2.75Å; H56-D142 PolarHBondContact ND1-OD1 2.92Å; H56-D142 IonicContact ND1-OD2 3.02Å; H56-D142 PolarHBondContact ND1-OD2 3.45Å
57D98.7Very high98.6Very high9 Ų918.7 Ų18.75%0.04810%0.104CC..Hα-helixtrans-56.4-47.9-177.3-73.50.1000111.2Y22 Q53 S59 F60 M61 I324 L338Y22-D57 PolarHBondContact OH-OD2 2.68Å; Q53-D57 PolarHBondContact NE2-OD1 3.34Å; Q53-D57 WeakPolarHBondContact O-CB 3.35Å; Q53-D57 PolarHBondContact O-N 3.07Å; D57-S59 PolarHBondContact O-N 3.06Å; D57-F60 PolarHBondContact O-N 3.24Å; D57-M61 HydrophobicContact CB-CE 3.68Å; D57-M61 WeakPolarHBondContact O-CA 3.33Å; D57-M61 WeakPolarHBondContact O-CB 3.26Å; D57-M61 PolarHBondContact O-N 2.82Å; D57-M61 WeakPolarHBondContact OD1-CE 3.43Å; D57-I324 HydrophobicContact CB-CD1 3.63Å; D57-L338 HydrophobicContact CB-CD1 4.2Å
58A98.5Very high98.6Very high0 Ų024.4 Ų24.40%013%0.129CC..Hα-helixtrans-68.1-18.4179.500000113.7A54 H56 R322 I324A54-A58 WeakPolarHBondContact O-CB 3.24Å; A54-A58 PolarHBondContact O-N 2.94Å; H56-A58 VanDerWaalsContact C-N 3.34Å; H56-A58 PolarHBondContact O-N 3.32Å; A58-R322 HydrophobicContact CB-CB 4.41Å; A58-R322 VanDerWaalsContact O-CB 3.29Å; A58-R322 WeakPolarHBondContact O-CB 2.94Å; A58-R322 WeakPolarHBondContact O-CD 3.46Å; A58-R322 WeakPolarHBondContact O-CG 3.15Å; A58-I324 HydrophobicContact CB-CB 4.37Å; A58-I324 HydrophobicContact CB-CG2 4.05Å
59S98.6Very high98.5Very high0 Ų025.8 Ų25.80%013%0.133CC..Hα-helixtrans-81.4-31.4177.1-66.20000112.7F55 H56 D57 T104F55-S59 VanDerWaalsContact O-CB 3.27Å; F55-S59 WeakPolarHBondContact O-CB 3.49Å; F55-S59 PolarHBondContact O-N 2.78Å; F55-S59 VanDerWaalsContact O-N 3.13Å; F55-S59 PolarHBondContact O-OG 2.57Å; H56-S59 WeakPolarHBondContact O-CB 3.32Å; H56-S59 PolarHBondContact O-N 3Å; D57-S59 PolarHBondContact O-N 3.06Å; S59-T104 PolarHBondContact O-N 3.34Å; S59-T104 PolarHBondContact O-OG1 2.76Å; S59-T104 VanDerWaalsContact O-OG1 3.07Å
60F98.7Very high98.5Very high2 Ų223.5 Ų23.51%0.00912%0.121CC..Hα-helixtrans-109.4-22.8-172.2-65.2-69.9000114.1H56 D57 A97 A98 G100 P103 D142 L144H56-F60 AromaticContact CE1-CD2 3.65Å; H56-F60 AromaticContact CE1-CE2 3.63Å; H56-F60 AromaticContact ND1-CD2 3.77Å; H56-F60 AromaticContact ND1-CE2 3.58Å; H56-F60 AromaticContact NE2-CD2 3.98Å; H56-F60 WeakPolarHBondContact O-CD2 3.46Å; H56-F60 PolarHBondContact O-N 2.91Å; D57-F60 PolarHBondContact O-N 3.24Å; F60-A97 WeakPolarHBondContact CB-O 3.44Å; F60-A97 WeakPolarHBondContact CD1-O 3.47Å; F60-A97 CarbonylContact O-C 3.57Å; F60-A97 VanDerWaalsContact O-C 3.27Å; F60-A97 WeakPolarHBondContact O-CB 3.45Å; F60-A98 PolarHBondContact O-N 3.45Å; F60-G100 VanDerWaalsContact CE1-C 3.48Å; F60-P103 HydrophobicContact CE1-CB 4.21Å; F60-D142 HydrophobicContact CE2-CB 4.1Å; F60-D142 HydrophobicContact CZ-CB 4.11Å; F60-L144 HydrophobicContact CE2-CD2 4.4Å; F60-L144 HydrophobicContact CZ-CD2 4.09Å
61M98.7Very high98.5Very high32 Ų3223.9 Ų23.916%0.15812%0.124CC..  trans-125.5157.9-177-61.5176.1-78.300111.4D57 L338 H340D57-M61 HydrophobicContact CB-CE 3.68Å; D57-M61 WeakPolarHBondContact O-CA 3.33Å; D57-M61 WeakPolarHBondContact O-CB 3.26Å; D57-M61 PolarHBondContact O-N 2.82Å; D57-M61 WeakPolarHBondContact OD1-CE 3.43Å; M61-L338 HydrophobicContact CB-CB 3.65Å; M61-L338 HydrophobicContact CB-CD1 4Å; M61-L338 HydrophobicContact CB-CG 4.5Å; M61-H340 HydrophobicContact SD-CB 4.22Å
62L98.5Very high98.5Very high5 Ų526.2 Ų26.23%0.02614%0.144CC..  trans-126.5164.3176.7-57.9176.3000109.6Q67 T104 R322 E339L62-Q67 HydrophobicContact CB-CG 4.47Å; L62-T104 HydrophobicContact CD2-CG2 4.49Å; L62-T104 HydrophobicContact CG-CG2 4.36Å; L62-R322 HydrophobicContact CD2-CG 3.89Å; L62-E339 WeakPolarHBondContact O-CB 3.34Å; L62-E339 PolarHBondContact O-N 2.82Å
63R98.4Very high98.4Very high21 Ų2124.1 Ų24.18%0.07913%0.134CC..  trans-61.7141.4178-78.7-178.5167.8144.913.9112A65 H66 Q67 A250 N323 E336 L338R63-A65 PolarHBondContact O-N 3.42Å; R63-H66 HydrophobicContact CB-CB 4.36Å; R63-H66 PolarHBondContact O-N 2.75Å; R63-Q67 WeakPolarHBondContact O-CG 3.43Å; R63-Q67 PolarHBondContact O-N 3.08Å; R63-Q67 VanDerWaalsContact O-N 3.13Å; R63-A250 PolarHBondContact NH1-O 3.48Å; R63-N323 PolarHBondContact NH1-OD1 3.32Å; R63-N323 PolarHBondContact NH2-OD1 3.29Å; R63-E336 IonicContact CZ-OE1 3.83Å; R63-E336 IonicContact CZ-OE2 2.81Å; R63-E336 IonicContact NE-OE1 2.85Å; R63-E336 PolarHBondContact NE-OE1 3.02Å; R63-E336 IonicContact NE-OE2 3.66Å; R63-E336 IonicContact NH2-OE1 3.29Å; R63-E336 PolarHBondContact NH2-OE1 3.17Å; R63-E336 IonicContact NH2-OE2 2.96Å; R63-E336 PolarHBondContact NH2-OE2 3.13Å; R63-L338 HydrophobicContact CG-CD2 3.86Å
64P98Very high98.3Very high40 Ų4022.7 Ų22.726%0.2613%0.128SC..Hα-helixtrans-55.1-36171.4-26.934.1000113.6Q67 K68 E339P64-Q67 PolarHBondContact O-N 2.92Å; P64-K68 WeakPolarHBondContact O-CB 3.41Å; P64-K68 VanDerWaalsContact O-CG 3.24Å; P64-K68 WeakPolarHBondContact O-CG 3.49Å; P64-K68 PolarHBondContact O-N 3.36Å; P64-E339 HydrophobicContact CG-CB 4.15Å
65A97.6Very high98.2Very high59 Ų5928.7 Ų28.749%0.48816%0.156SC..Hα-helixtrans-62.9-44.8178.400000112.4R63 K68 Q69R63-A65 PolarHBondContact O-N 3.42Å; A65-K68 PolarHBondContact O-N 2.99Å; A65-Q69 PolarHBondContact O-N 3.46Å; A65-Q69 VanDerWaalsContact O-N 3.11Å
66H98.4Very high98.1Very high5 Ų529.9 Ų29.92%0.02316%0.162CC..Hα-helixtrans-60.3-50.2174.7175.976.4000110.8R63 K68 Q69 V70 H228 H296R63-H66 HydrophobicContact CB-CB 4.36Å; R63-H66 PolarHBondContact O-N 2.75Å; H66-K68 VanDerWaalsContact C-N 3.3Å; H66-K68 PolarHBondContact O-N 3Å; H66-Q69 PolarHBondContact O-N 3.05Å; H66-V70 WeakPolarHBondContact O-CG2 3.43Å; H66-V70 PolarHBondContact O-N 3.31Å; H66-H228 AromaticContact CE1-NE2 3.75Å; H66-H228 AromaticContact CG-NE2 3.92Å; H66-H228 AromaticContact ND1-CD2 3.9Å; H66-H228 AromaticContact ND1-CE1 3.82Å; H66-H228 AromaticContact ND1-NE2 2.89Å; H66-H228 PolarHBondContact ND1-NE2 3.07Å; H66-H296 AromaticContact CE1-CD2 3.78Å; H66-H296 AromaticContact CE1-NE2 3.51Å; H66-H296 AromaticContact ND1-CD2 3.93Å
67Q98.2Very high98.1Very high2 Ų233.2 Ų33.21%0.00919%0.188CC..Hα-helixtrans-59.2-40-179.8-62.6-68.816.600112.6L62 R63 P64 V70 A71 S94 E339 P342 Y345L62-Q67 HydrophobicContact CB-CG 4.47Å; R63-Q67 WeakPolarHBondContact O-CG 3.43Å; R63-Q67 PolarHBondContact O-N 3.08Å; R63-Q67 VanDerWaalsContact O-N 3.13Å; P64-Q67 PolarHBondContact O-N 2.92Å; Q67-V70 PolarHBondContact O-N 3.2Å; Q67-A71 WeakPolarHBondContact O-CB 3.36Å; Q67-A71 PolarHBondContact O-N 3Å; Q67-S94 PolarHBondContact NE2-OG 3.39Å; Q67-E339 HydrophobicContact CG-CB 4.38Å; Q67-E339 HydrophobicContact CG-CG 4.49Å; Q67-P342 HydrophobicContact CG-CB 4.44Å; Q67-Y345 HydrophobicContact CB-CD2 3.62Å; Q67-Y345 HydrophobicContact CB-CE2 3.62Å; Q67-Y345 HydrophobicContact CB-CG 4.45Å; Q67-Y345 HydrophobicContact CG-CD2 4.42Å; Q67-Y345 HydrophobicContact CG-CE2 4.33Å
68K98.2Very high98Very high120 Ų12039.4 Ų39.452%0.52222%0.217SC..Hα-helixtrans-64.5-38.4175.7-73169.8-175.4177.50112.4P64 A65 H66 A71 A72 Y345P64-K68 WeakPolarHBondContact O-CB 3.41Å; P64-K68 VanDerWaalsContact O-CG 3.24Å; P64-K68 WeakPolarHBondContact O-CG 3.49Å; P64-K68 PolarHBondContact O-N 3.36Å; A65-K68 PolarHBondContact O-N 2.99Å; H66-K68 VanDerWaalsContact C-N 3.3Å; H66-K68 PolarHBondContact O-N 3Å; K68-A71 PolarHBondContact O-N 2.74Å; K68-A72 WeakPolarHBondContact O-CB 3.32Å; K68-A72 PolarHBondContact O-N 3.49Å; K68-Y345 HydrophobicContact CD-CE1 4.32Å; K68-Y345 WeakPolarHBondContact CE-OH 3.17Å; K68-Y345 HydrophobicContact CG-CD1 4.14Å; K68-Y345 HydrophobicContact CG-CE1 3.51Å
69Q98.5Very high97.9Very high54 Ų5439.7 Ų39.725%0.25222%0.219SC..Hα-helixtrans-67.9-37.7174.7-75172.6-47.900112.2A65 H66 H228 H296 D297A65-Q69 PolarHBondContact O-N 3.46Å; A65-Q69 VanDerWaalsContact O-N 3.11Å; H66-Q69 PolarHBondContact O-N 3.05Å; Q69-H228 PolarHBondContact OE1-CE1 2.94Å; Q69-H228 VanDerWaalsContact OE1-CE1 3.25Å; Q69-H296 HydrophobicContact CB-CB 4.41Å; Q69-D297 PolarHBondContact NE2-OD2 2.91Å
70V98.4Very high97.7Very high0 Ų041.3 Ų41.30%023%0.23CC..Hα-helixtrans-63-46.4171.91790000110.4H66 Q67 A72 I73 A87 F90 L91 H296H66-V70 WeakPolarHBondContact O-CG2 3.43Å; H66-V70 PolarHBondContact O-N 3.31Å; Q67-V70 PolarHBondContact O-N 3.2Å; V70-A72 VanDerWaalsContact C-N 3.33Å; V70-A72 PolarHBondContact O-N 3.18Å; V70-I73 VanDerWaalsContact O-CB 3.27Å; V70-I73 WeakPolarHBondContact O-CB 3.32Å; V70-I73 WeakPolarHBondContact O-CG1 3.23Å; V70-I73 PolarHBondContact O-N 3.4Å; V70-A87 HydrophobicContact CG1-CB 3.97Å; V70-A87 WeakPolarHBondContact CG1-O 3.28Å; V70-F90 HydrophobicContact CG1-CB 4.08Å; V70-L91 HydrophobicContact CB-CD2 4.23Å; V70-L91 HydrophobicContact CG1-CD1 4.3Å; V70-L91 HydrophobicContact CG1-CD2 4.01Å; V70-L91 HydrophobicContact CG1-CG 3.78Å; V70-H296 VanDerWaalsContact CG2-CE1 3.49Å; V70-H296 WeakPolarHBondContact CG2-CE1 3.48Å
71A98.1Very high97.4Very high8 Ų847.6 Ų47.67%0.06626%0.26CS..Hα-helixtrans-64.4-34.9-179.900000113.4Q67 K68 I73 L74 H75 L91Q67-A71 WeakPolarHBondContact O-CB 3.36Å; Q67-A71 PolarHBondContact O-N 3Å; K68-A71 PolarHBondContact O-N 2.74Å; A71-I73 PolarHBondContact O-N 2.78Å; A71-L74 WeakPolarHBondContact O-CB 3.36Å; A71-L74 PolarHBondContact O-N 3.34Å; A71-H75 PolarHBondContact O-CD2 2.86Å; A71-L91 HydrophobicContact CB-CD1 4.18Å
72A98.1Very high97Very high49 Ų4948.3 Ų48.341%0.40526%0.264SS..Hα-helixtrans-57.7-29.8176.400000112.9K68 V70 L74 H75 D76K68-A72 WeakPolarHBondContact O-CB 3.32Å; K68-A72 PolarHBondContact O-N 3.49Å; V70-A72 VanDerWaalsContact C-N 3.33Å; V70-A72 PolarHBondContact O-N 3.18Å; A72-L74 VanDerWaalsContact C-N 3.25Å; A72-L74 PolarHBondContact O-N 2.89Å; A72-H75 PolarHBondContact O-N 2.77Å; A72-H75 VanDerWaalsContact O-N 3.14Å; A72-D76 PolarHBondContact O-N 2.98Å
73I98.3Very high96.9Very high0 Ų048 Ų480%026%0.263CS..Hα-helixtrans-59.6-37.6176.8-56.3177.9000111.2V70 A71 H75 D76 A79 D83 A87 P226 Y293V70-I73 VanDerWaalsContact O-CB 3.27Å; V70-I73 WeakPolarHBondContact O-CB 3.32Å; V70-I73 WeakPolarHBondContact O-CG1 3.23Å; V70-I73 PolarHBondContact O-N 3.4Å; A71-I73 PolarHBondContact O-N 2.78Å; I73-H75 PolarHBondContact O-N 2.86Å; I73-D76 PolarHBondContact O-N 2.87Å; I73-A79 HydrophobicContact CG2-CB 4.12Å; I73-D83 HydrophobicContact CG2-CB 3.87Å; I73-A87 HydrophobicContact CB-CB 3.8Å; I73-A87 HydrophobicContact CD1-CB 4Å; I73-A87 HydrophobicContact CG1-CB 4.41Å; I73-A87 HydrophobicContact CG2-CB 3.88Å; I73-P226 HydrophobicContact CD1-CG 3.76Å; I73-Y293 HydrophobicContact CB-CD2 4.34Å; I73-Y293 HydrophobicContact CB-CE2 4.26Å; I73-Y293 HydrophobicContact CB-CG 4.48Å; I73-Y293 HydrophobicContact CD1-CD1 3.8Å; I73-Y293 HydrophobicContact CD1-CE1 4.35Å; I73-Y293 HydrophobicContact CD1-CG 3.85Å; I73-Y293 HydrophobicContact CG1-CD1 3.55Å; I73-Y293 HydrophobicContact CG1-CD2 4.08Å; I73-Y293 HydrophobicContact CG1-CE1 3.61Å; I73-Y293 HydrophobicContact CG1-CE2 4.14Å; I73-Y293 HydrophobicContact CG1-CG 3.74Å; I73-Y293 HydrophobicContact CG2-CD2 3.71Å; I73-Y293 HydrophobicContact CG2-CE2 3.94Å; I73-Y293 HydrophobicContact CG2-CG 4.09Å
74L97.2Very high96.7Very high19 Ų1949.5 Ų49.510%0.09927%0.27CS..THydrogen-bonded Turntrans-64.2-22.8-178.7-57.3-179.4000112.7A71 A72 K84 A87 L88 L91 P347 L350A71-L74 WeakPolarHBondContact O-CB 3.36Å; A71-L74 PolarHBondContact O-N 3.34Å; A72-L74 VanDerWaalsContact C-N 3.25Å; A72-L74 PolarHBondContact O-N 2.89Å; L74-K84 HydrophobicContact CD2-CB 4.33Å; L74-K84 VanDerWaalsContact CD2-O 3.31Å; L74-K84 WeakPolarHBondContact CD2-O 3.33Å; L74-A87 HydrophobicContact CD2-CB 4Å; L74-L88 HydrophobicContact CD2-CB 4.11Å; L74-L91 HydrophobicContact CD1-CD1 3.7Å; L74-P347 HydrophobicContact CD1-CG 4.35Å; L74-L350 HydrophobicContact CB-CD1 4.45Å; L74-L350 HydrophobicContact CD1-CD1 4.03Å; L74-L350 HydrophobicContact CD2-CD1 4.24Å; L74-L350 HydrophobicContact CG-CD1 4.48Å
75H95.6Very high96.5Very high127 Ų12748.7 Ų48.759%0.58826%0.262SS*.THydrogen-bonded Turntrans-106.8-7.4-175.3-58.9-61.7000113.7A71 A72 I73 P77A71-H75 PolarHBondContact O-CD2 2.86Å; A72-H75 PolarHBondContact O-N 2.77Å; A72-H75 VanDerWaalsContact O-N 3.14Å; I73-H75 PolarHBondContact O-N 2.86Å; H75-P77 WeakPolarHBondContact O-CD 3.37Å
76D97.5Very high96.3Very high25 Ų2545.9 Ų45.913%0.13424%0.238CC..  trans-79.5117.4179-176.5-0.9000110.5A72 I73 E78 A79 K292 Y293A72-D76 PolarHBondContact O-N 2.98Å; I73-D76 PolarHBondContact O-N 2.87Å; D76-E78 PolarHBondContact O-N 3.49Å; D76-E78 WeakPolarHBondContact OD1-CB 3.48Å; D76-E78 PolarHBondContact OD1-N 2.84Å; D76-A79 HydrophobicContact CB-CB 4.15Å; D76-A79 VanDerWaalsContact O-CB 3.3Å; D76-A79 WeakPolarHBondContact O-CB 3.42Å; D76-A79 PolarHBondContact O-N 3.01Å; D76-A79 VanDerWaalsContact O-N 3.12Å; D76-K292 IonicContact OD1-NZ 2.71Å; D76-K292 WeakPolarHBondContact OD2-CD 3.26Å; D76-K292 WeakPolarHBondContact OD2-CE 3.01Å; D76-K292 IonicContact OD2-NZ 3.62Å; D76-K292 PolarHBondContact OD2-NZ 3.44Å; D76-Y293 HydrophobicContact CB-CE2 3.96Å; D76-Y293 WeakPolarHBondContact CB-OH 3.3Å; D76-Y293 WeakPolarHBondContact OD2-CE2 3.48Å; D76-Y293 PolarHBondContact OD2-OH 3.22Å
77P97.2Very high96.3Very high120 Ų12045.7 Ų45.778%0.77924%0.238SC*.THydrogen-bonded Turntrans-65.3-18.817728-35.9000113.5H75H75-P77 WeakPolarHBondContact O-CD 3.37Å
78E97.2Very high96.2Very high139 Ų13946.2 Ų46.265%0.6524%0.24SC*.THydrogen-bonded Turntrans-88.1-8.3175.8-58.9-176.616400113.1D76 K292D76-E78 PolarHBondContact O-N 3.49Å; D76-E78 WeakPolarHBondContact OD1-CB 3.48Å; D76-E78 PolarHBondContact OD1-N 2.84Å; E78-K292 HydrophobicContact CB-CD 3.84Å; E78-K292 IonicContact OE2-NZ 2.81Å; E78-K292 PolarHBondContact OE2-NZ 3.17Å
79A97.1Very high96Very high7 Ų740.6 Ų40.66%0.05822%0.216CC..SBendtrans-67137.1173.300000110.4I73 D76 D83 K84 Y293I73-A79 HydrophobicContact CG2-CB 4.12Å; D76-A79 HydrophobicContact CB-CB 4.15Å; D76-A79 VanDerWaalsContact O-CB 3.3Å; D76-A79 WeakPolarHBondContact O-CB 3.42Å; D76-A79 PolarHBondContact O-N 3.01Å; D76-A79 VanDerWaalsContact O-N 3.12Å; A79-D83 HydrophobicContact CB-CB 4.1Å; A79-K84 HydrophobicContact CB-CG 3.98Å; A79-Y293 HydrophobicContact CB-CD2 4.01Å; A79-Y293 HydrophobicContact CB-CE2 3.75Å
80S93.4Very high96Very high33 Ų3338.5 Ų38.523%0.23121%0.206CC..  trans-67.3159.1171.2780000110.6N82 D83 K84 G290S80-N82 PolarHBondContact O-N 3.27Å; S80-N82 PolarHBondContact OG-N 2.93Å; S80-D83 PolarHBondContact N-OD2 2.73Å; S80-D83 WeakPolarHBondContact O-CB 3.41Å; S80-D83 PolarHBondContact O-N 3.19Å; S80-D83 VanDerWaalsContact OG-CG 3.31Å; S80-D83 PolarHBondContact OG-N 3.48Å; S80-D83 PolarHBondContact OG-OD2 2.9Å; S80-K84 PolarHBondContact O-N 2.69Å; S80-K84 VanDerWaalsContact O-N 3.07Å; S80-G290 PolarHBondContact OG-O 2.59Å
81E91.8Very high96Very high135 Ų13538.5 Ų38.563%0.63121%0.206SC*.Hα-helixtrans-60.7-30.4173.1-65.5-57.4115.500111.8K84 Y85E81-K84 IonicContact OE1-NZ 3.53Å; E81-K84 PolarHBondContact OE1-NZ 2.71Å; E81-Y85 VanDerWaalsContact O-CB 3.31Å; E81-Y85 WeakPolarHBondContact O-CB 3.45Å; E81-Y85 PolarHBondContact O-N 2.71Å
82N91.5Very high95.9Very high46 Ų4639.6 Ų39.625%0.24621%0.209CC..Hα-helixtrans-69.3-39.4173-72.8-13.1000112.3S80 K84 Y85 V86 F289S80-N82 PolarHBondContact O-N 3.27Å; S80-N82 PolarHBondContact OG-N 2.93Å; N82-K84 VanDerWaalsContact C-N 3.35Å; N82-Y85 PolarHBondContact O-N 2.87Å; N82-V86 WeakPolarHBondContact O-CB 3.37Å; N82-V86 WeakPolarHBondContact O-CG2 3.27Å; N82-V86 PolarHBondContact O-N 2.76Å; N82-F289 HydrophobicContact CB-CB 4.09Å; N82-F289 PolarHBondContact ND2-O 3.22Å
83D95.3Very high95.9Very high0 Ų037.5 Ų37.50%019%0.191CC..Hα-helixtrans-58.9-48.7174.7-72.6-28.9000110.4I73 A79 S80 V86 A87 G286 A287 G291 K292 Y293I73-D83 HydrophobicContact CG2-CB 3.87Å; A79-D83 HydrophobicContact CB-CB 4.1Å; S80-D83 PolarHBondContact N-OD2 2.73Å; S80-D83 WeakPolarHBondContact O-CB 3.41Å; S80-D83 PolarHBondContact O-N 3.19Å; S80-D83 VanDerWaalsContact OG-CG 3.31Å; S80-D83 PolarHBondContact OG-N 3.48Å; S80-D83 PolarHBondContact OG-OD2 2.9Å; D83-V86 PolarHBondContact O-N 3.31Å; D83-A87 WeakPolarHBondContact O-CB 3.49Å; D83-A87 PolarHBondContact O-N 3.46Å; D83-G286 WeakPolarHBondContact OD1-CA 3.17Å; D83-A287 HydrophobicContact CB-CB 4.48Å; D83-A287 WeakPolarHBondContact OD1-CB 3.32Å; D83-A287 PolarHBondContact OD1-N 3.1Å; D83-G291 VanDerWaalsContact OD2-CA 3.32Å; D83-G291 WeakPolarHBondContact OD2-CA 3.38Å; D83-K292 PolarHBondContact OD2-N 3.47Å; D83-Y293 HydrophobicContact CB-CD2 4.24Å; D83-Y293 PolarHBondContact OD2-N 3.38Å
84K95.3Very high95.9Very high51 Ų5137.8 Ų37.822%0.22219%0.193CC..Hα-helixtrans-63.6-42.5178.6-63.6176.4-166.9160.50111.8L74 A79 S80 E81 N82 A87 L88L74-K84 HydrophobicContact CD2-CB 4.33Å; L74-K84 VanDerWaalsContact CD2-O 3.31Å; L74-K84 WeakPolarHBondContact CD2-O 3.33Å; A79-K84 HydrophobicContact CB-CG 3.98Å; S80-K84 PolarHBondContact O-N 2.69Å; S80-K84 VanDerWaalsContact O-N 3.07Å; E81-K84 IonicContact OE1-NZ 3.53Å; E81-K84 PolarHBondContact OE1-NZ 2.71Å; N82-K84 VanDerWaalsContact C-N 3.35Å; K84-A87 PolarHBondContact O-N 2.93Å; K84-L88 WeakPolarHBondContact O-CB 3.28Å; K84-L88 PolarHBondContact O-N 2.89Å
85Y92.7Very high95.9Very high23 Ų2340.2 Ų40.29%0.0920%0.203CC..Hα-helixtrans-61.2-48177.8-178.1-119.6000111.7E81 N82 L88 Q89 I485 F524E81-Y85 VanDerWaalsContact O-CB 3.31Å; E81-Y85 WeakPolarHBondContact O-CB 3.45Å; E81-Y85 PolarHBondContact O-N 2.71Å; N82-Y85 PolarHBondContact O-N 2.87Å; Y85-L88 PolarHBondContact O-N 3.23Å; Y85-Q89 HydrophobicContact CE2-CG 4.24Å; Y85-Q89 WeakPolarHBondContact O-CG 3.49Å; Y85-Q89 PolarHBondContact O-N 3.24Å; Y85-Q89 VanDerWaalsContact O-N 3.08Å; Y85-Q89 PolarHBondContact OH-NE2 2.93Å; Y85-I485 HydrophobicContact CD1-CD1 3.96Å; Y85-I485 HydrophobicContact CE1-CD1 3.58Å; Y85-F524 HydrophobicContact CD1-CZ 4.23Å; Y85-F524 HydrophobicContact CE1-CZ 4.28Å
86V94.7Very high95.9Very high0 Ų034.8 Ų34.80%018%0.179CC..Hα-helixtrans-64.2-43.4178.2170.20000111.3N82 D83 L88 Q89 F90 A287 F289 I485N82-V86 WeakPolarHBondContact O-CB 3.37Å; N82-V86 WeakPolarHBondContact O-CG2 3.27Å; N82-V86 PolarHBondContact O-N 2.76Å; D83-V86 PolarHBondContact O-N 3.31Å; V86-L88 VanDerWaalsContact C-N 3.35Å; V86-L88 PolarHBondContact O-N 3.17Å; V86-Q89 PolarHBondContact O-N 2.76Å; V86-F90 HydrophobicContact CG1-CD2 3.98Å; V86-F90 HydrophobicContact CG1-CE1 4.48Å; V86-F90 HydrophobicContact CG1-CE2 3.38Å; V86-F90 HydrophobicContact CG1-CZ 3.68Å; V86-F90 WeakPolarHBondContact O-CD2 3.5Å; V86-F90 PolarHBondContact O-N 3.33Å; V86-A287 HydrophobicContact CB-CB 4.14Å; V86-A287 HydrophobicContact CG1-CB 3.96Å; V86-A287 WeakPolarHBondContact CG2-O 3.27Å; V86-F289 HydrophobicContact CG2-CD2 3.93Å; V86-F289 HydrophobicContact CG2-CE2 4.37Å; V86-I485 HydrophobicContact CG1-CG2 4.05Å; V86-I485 HydrophobicContact CG2-CD1 4.22Å; V86-I485 HydrophobicContact CG2-CG1 4.31Å; V86-I485 HydrophobicContact CG2-CG2 4.14Å
87A97.2Very high96Very high1 Ų133.6 Ų33.61%0.00817%0.172CC..Hα-helixtrans-59.9-43.1176.100000112.4V70 I73 L74 D83 K84 Q89 F90 L91V70-A87 HydrophobicContact CG1-CB 3.97Å; V70-A87 WeakPolarHBondContact CG1-O 3.28Å; I73-A87 HydrophobicContact CB-CB 3.8Å; I73-A87 HydrophobicContact CD1-CB 4Å; I73-A87 HydrophobicContact CG1-CB 4.41Å; I73-A87 HydrophobicContact CG2-CB 3.88Å; L74-A87 HydrophobicContact CD2-CB 4Å; D83-A87 WeakPolarHBondContact O-CB 3.49Å; D83-A87 PolarHBondContact O-N 3.46Å; K84-A87 PolarHBondContact O-N 2.93Å; A87-Q89 VanDerWaalsContact C-N 3.34Å; A87-Q89 PolarHBondContact O-N 2.89Å; A87-F90 PolarHBondContact O-N 3.24Å; A87-L91 PolarHBondContact O-N 2.91Å; A87-L91 VanDerWaalsContact O-N 3.09Å
88L96.1Very high96Very high13 Ų1329.1 Ų29.17%0.06815%0.146CC..Hα-helixtrans-61.1-42.6176.2-179.959.9000111.6L74 K84 Y85 V86 F90 L91 R92 I346 L350L74-L88 HydrophobicContact CD2-CB 4.11Å; K84-L88 WeakPolarHBondContact O-CB 3.28Å; K84-L88 PolarHBondContact O-N 2.89Å; Y85-L88 PolarHBondContact O-N 3.23Å; V86-L88 VanDerWaalsContact C-N 3.35Å; V86-L88 PolarHBondContact O-N 3.17Å; L88-F90 VanDerWaalsContact C-N 3.33Å; L88-F90 PolarHBondContact O-N 3.21Å; L88-L91 PolarHBondContact O-N 2.94Å; L88-R92 HydrophobicContact CD1-CG 4.44Å; L88-R92 WeakPolarHBondContact O-CG 3.37Å; L88-R92 PolarHBondContact O-N 3.36Å; L88-I346 HydrophobicContact CD1-CG2 3.67Å; L88-L350 HydrophobicContact CD1-CB 3.93Å; L88-L350 HydrophobicContact CD1-CD1 4.5Å; L88-L350 HydrophobicContact CD2-CB 4.2Å
89Q95.5Very high96Very high3 Ų329.1 Ų29.11%0.01414%0.143CC..Hα-helixtrans-65.3-34.9177.4-65.5-63-12.400112.3Y85 V86 A87 N93 I485 P488Y85-Q89 HydrophobicContact CE2-CG 4.24Å; Y85-Q89 WeakPolarHBondContact O-CG 3.49Å; Y85-Q89 PolarHBondContact O-N 3.24Å; Y85-Q89 VanDerWaalsContact O-N 3.08Å; Y85-Q89 PolarHBondContact OH-NE2 2.93Å; V86-Q89 PolarHBondContact O-N 2.76Å; A87-Q89 VanDerWaalsContact C-N 3.34Å; A87-Q89 PolarHBondContact O-N 2.89Å; Q89-N93 WeakPolarHBondContact O-CB 3.48Å; Q89-N93 PolarHBondContact O-N 3.34Å; Q89-I485 HydrophobicContact CB-CD1 4.26Å; Q89-I485 HydrophobicContact CG-CD1 3.85Å; Q89-P488 HydrophobicContact CB-CB 4.3Å; Q89-P488 HydrophobicContact CB-CG 4.32Å
90F97.6Very high96Very high10 Ų1030 Ų304%0.04415%0.152CC..Hα-helixtrans-66-41.3173.4-69.3-35.5000113.6V70 V86 A87 L88 N93 S94 S319 I485 G486 P488V70-F90 HydrophobicContact CG1-CB 4.08Å; V86-F90 HydrophobicContact CG1-CD2 3.98Å; V86-F90 HydrophobicContact CG1-CE1 4.48Å; V86-F90 HydrophobicContact CG1-CE2 3.38Å; V86-F90 HydrophobicContact CG1-CZ 3.68Å; V86-F90 WeakPolarHBondContact O-CD2 3.5Å; V86-F90 PolarHBondContact O-N 3.33Å; A87-F90 PolarHBondContact O-N 3.24Å; L88-F90 VanDerWaalsContact C-N 3.33Å; L88-F90 PolarHBondContact O-N 3.21Å; F90-N93 PolarHBondContact O-N 3.41Å; F90-S94 WeakPolarHBondContact O-CB 3.47Å; F90-S94 PolarHBondContact O-N 3.05Å; F90-S94 PolarHBondContact O-OG 2.74Å; F90-S319 WeakPolarHBondContact CE2-OG 3.27Å; F90-S319 VanDerWaalsContact CZ-CB 3.46Å; F90-S319 WeakPolarHBondContact CZ-OG 3.23Å; F90-I485 HydrophobicContact CE1-CG2 4.49Å; F90-G486 VanDerWaalsContact CE1-O 3.27Å; F90-G486 WeakPolarHBondContact CE1-O 3.34Å; F90-G486 WeakPolarHBondContact CZ-O 3.38Å; F90-P488 HydrophobicContact CD1-CB 4.5Å
91L97.6Very high96.2Very high0 Ų030.4 Ų30.40%015%0.154CC..Hα-helixtrans-67.6-43.7177.3-66.5169.2000111.4V70 A71 L74 A87 L88 N93 S94 E95 I346V70-L91 HydrophobicContact CB-CD2 4.23Å; V70-L91 HydrophobicContact CG1-CD1 4.3Å; V70-L91 HydrophobicContact CG1-CD2 4.01Å; V70-L91 HydrophobicContact CG1-CG 3.78Å; A71-L91 HydrophobicContact CB-CD1 4.18Å; L74-L91 HydrophobicContact CD1-CD1 3.7Å; A87-L91 PolarHBondContact O-N 2.91Å; A87-L91 VanDerWaalsContact O-N 3.09Å; L88-L91 PolarHBondContact O-N 2.94Å; L91-N93 VanDerWaalsContact C-N 3.31Å; L91-N93 PolarHBondContact O-N 3.43Å; L91-S94 WeakPolarHBondContact O-CB 3.11Å; L91-S94 PolarHBondContact O-N 2.95Å; L91-S94 VanDerWaalsContact O-N 3.17Å; L91-E95 PolarHBondContact O-N 2.88Å; L91-I346 HydrophobicContact CB-CD1 3.81Å; L91-I346 HydrophobicContact CB-CG1 3.54Å; L91-I346 HydrophobicContact CD1-CG1 4.1Å; L91-I346 HydrophobicContact CG-CG1 4.4Å
92R96.3Very high96.6Very high30 Ų3024 Ų2411%0.11312%0.124CC..Hα-helixtrans-59.2-42.5173.8-73.8177.5175.5-177.2-1.7111.8L88 S94 E95 I96 I346 L350 A353 V491L88-R92 HydrophobicContact CD1-CG 4.44Å; L88-R92 WeakPolarHBondContact O-CG 3.37Å; L88-R92 PolarHBondContact O-N 3.36Å; R92-S94 VanDerWaalsContact C-N 3.33Å; R92-S94 PolarHBondContact O-N 3.18Å; R92-E95 PolarHBondContact O-N 3.09Å; R92-I96 WeakPolarHBondContact O-CG1 3.11Å; R92-I96 PolarHBondContact O-N 2.86Å; R92-I346 HydrophobicContact CG-CD1 4.07Å; R92-L350 PolarHBondContact NH2-O 3.07Å; R92-A353 PolarHBondContact NH2-O 2.95Å; R92-V491 HydrophobicContact CB-CG2 3.87Å
93N98Very high96.9Very high6 Ų621.9 Ų21.93%0.03211%0.112CC..Hα-helixtrans-62.9-40.7175.7-177.281.7000112.4Q89 F90 L91 I96 A97 T104 P488 A489 A490 V491Q89-N93 WeakPolarHBondContact O-CB 3.48Å; Q89-N93 PolarHBondContact O-N 3.34Å; F90-N93 PolarHBondContact O-N 3.41Å; L91-N93 VanDerWaalsContact C-N 3.31Å; L91-N93 PolarHBondContact O-N 3.43Å; N93-I96 PolarHBondContact O-N 3Å; N93-A97 WeakPolarHBondContact O-CB 3.19Å; N93-A97 PolarHBondContact O-N 3.16Å; N93-T104 PolarHBondContact ND2-O 2.8Å; N93-P488 HydrophobicContact CB-CB 3.76Å; N93-P488 VanDerWaalsContact OD1-CA 3.25Å; N93-P488 WeakPolarHBondContact OD1-CA 3.37Å; N93-A489 PolarHBondContact OD1-N 3.47Å; N93-A489 VanDerWaalsContact OD1-N 3.14Å; N93-A490 WeakPolarHBondContact OD1-CA 3.39Å; N93-A490 VanDerWaalsContact OD1-CB 3.27Å; N93-A490 WeakPolarHBondContact OD1-CB 3.18Å; N93-A490 PolarHBondContact OD1-N 3.45Å; N93-V491 HydrophobicContact CB-CB 4.32Å; N93-V491 HydrophobicContact CB-CG2 4.03Å; N93-V491 PolarHBondContact OD1-N 2.83Å; N93-V491 VanDerWaalsContact OD1-N 3.11Å
94S98.2Very high97Very high6 Ų622 Ų224%0.04211%0.114CC..Hα-helixtrans-64.6-39.8175-60.80000112.1Q67 F90 L91 R92 I96 A97 A98 P342Q67-S94 PolarHBondContact NE2-OG 3.39Å; F90-S94 WeakPolarHBondContact O-CB 3.47Å; F90-S94 PolarHBondContact O-N 3.05Å; F90-S94 PolarHBondContact O-OG 2.74Å; L91-S94 WeakPolarHBondContact O-CB 3.11Å; L91-S94 PolarHBondContact O-N 2.95Å; L91-S94 VanDerWaalsContact O-N 3.17Å; R92-S94 VanDerWaalsContact C-N 3.33Å; R92-S94 PolarHBondContact O-N 3.18Å; S94-I96 VanDerWaalsContact C-N 3.31Å; S94-I96 PolarHBondContact O-N 2.88Å; S94-A97 PolarHBondContact O-N 2.91Å; S94-A98 VanDerWaalsContact O-CB 3.31Å; S94-A98 WeakPolarHBondContact O-CB 3.33Å; S94-A98 PolarHBondContact O-N 3.41Å; S94-P342 VanDerWaalsContact C-CG 3.43Å; S94-P342 WeakPolarHBondContact O-CG 3.45Å
95E97.2Very high97.2Very high69 Ų6920.2 Ų20.232%0.32211%0.107SC..Hα-helixtrans-62.1-37.5175.3-178.5178-149.400112.5L91 R92L91-E95 PolarHBondContact O-N 2.88Å; R92-E95 PolarHBondContact O-N 3.09Å
96I97.3Very high97.4Very high14 Ų1419.4 Ų19.47%0.07210%0.104CC..Hα-helixtrans-71-45.4174.5-68164.5000110.6R92 N93 S94 K99 L102 A490 V491 Q494R92-I96 WeakPolarHBondContact O-CG1 3.11Å; R92-I96 PolarHBondContact O-N 2.86Å; N93-I96 PolarHBondContact O-N 3Å; S94-I96 VanDerWaalsContact C-N 3.31Å; S94-I96 PolarHBondContact O-N 2.88Å; I96-K99 WeakPolarHBondContact O-CB 3.44Å; I96-K99 PolarHBondContact O-N 3.35Å; I96-L102 HydrophobicContact CG2-CD1 4.25Å; I96-A490 HydrophobicContact CB-CB 4.39Å; I96-A490 HydrophobicContact CG2-CB 3.88Å; I96-V491 HydrophobicContact CD1-CB 4.34Å; I96-V491 HydrophobicContact CD1-CG2 3.47Å; I96-V491 VanDerWaalsContact CD1-CG2 3.47Å; I96-Q494 VanDerWaalsContact CG1-OE1 3.23Å
97A98.4Very high97.6Very high0 Ų020.6 Ų20.60%011%0.11CC..Hα-helixtrans-67.5-36.8-175.800000113.3F60 N93 S94 K99 G100 L102 T104F60-A97 WeakPolarHBondContact CB-O 3.44Å; F60-A97 WeakPolarHBondContact CD1-O 3.47Å; F60-A97 CarbonylContact O-C 3.57Å; F60-A97 VanDerWaalsContact O-C 3.27Å; F60-A97 WeakPolarHBondContact O-CB 3.45Å; N93-A97 WeakPolarHBondContact O-CB 3.19Å; N93-A97 PolarHBondContact O-N 3.16Å; S94-A97 PolarHBondContact O-N 2.91Å; A97-K99 PolarHBondContact O-N 3.02Å; A97-G100 PolarHBondContact O-N 3.23Å; A97-L102 VanDerWaalsContact CA-O 3.24Å; A97-L102 WeakPolarHBondContact CA-O 3.49Å; A97-L102 WeakPolarHBondContact CB-O 3.44Å; A97-T104 HydrophobicContact CB-CG2 3.52Å
98A98.1Very high97.6Very high26 Ų2620.5 Ų20.522%0.21511%0.11CC..THydrogen-bonded Turntrans-60.5-11178.900000114F60 S94 G100 P342F60-A98 PolarHBondContact O-N 3.45Å; S94-A98 VanDerWaalsContact O-CB 3.31Å; S94-A98 WeakPolarHBondContact O-CB 3.33Å; S94-A98 PolarHBondContact O-N 3.41Å; A98-G100 PolarHBondContact O-N 3.45Å; A98-P342 HydrophobicContact CB-CG 3.97Å
99K97.3Very high97.8Very high139 Ų13920 Ų2060%0.60411%0.107SC*.THydrogen-bonded Turntrans-76.5-6.2172.1-59.3175.1-175.6173.20113.6I96 A97 V101I96-K99 WeakPolarHBondContact O-CB 3.44Å; I96-K99 PolarHBondContact O-N 3.35Å; A97-K99 PolarHBondContact O-N 3.02Å; K99-V101 PolarHBondContact O-N 3.22Å
100G97Very high97.9Very high24 Ų2421.7 Ų21.725%0.24712%0.118CC..SBendtrans7911.7174.600000115.7F60 A97 A98F60-G100 VanDerWaalsContact CE1-C 3.48Å; A97-G100 PolarHBondContact O-N 3.23Å; A98-G100 PolarHBondContact O-N 3.45Å
101V98Very high98Very high43 Ų4321.2 Ų21.226%0.26112%0.116SC..SBendtrans-105.9-52.4-176.2-177.60000112.6K99 N143 P428 Y431K99-V101 PolarHBondContact O-N 3.22Å; V101-N143 WeakPolarHBondContact O-CB 3.37Å; V101-N143 PolarHBondContact O-ND2 3.08Å; V101-P428 HydrophobicContact CG1-CB 3.72Å; V101-P428 HydrophobicContact CG1-CG 3.76Å; V101-Y431 HydrophobicContact CG1-CD2 4.43Å; V101-Y431 HydrophobicContact CG1-CE1 4.34Å; V101-Y431 HydrophobicContact CG1-CE2 3.83Å
102L98.4Very high98Very high1 Ų121.8 Ų21.81%0.00512%0.119CC..SBendtrans-107.9122.8179.1-71.5172.7000109.1I96 A97 P428 Y431 A490 A493 Q494I96-L102 HydrophobicContact CG2-CD1 4.25Å; A97-L102 VanDerWaalsContact CA-O 3.24Å; A97-L102 WeakPolarHBondContact CA-O 3.49Å; A97-L102 WeakPolarHBondContact CB-O 3.44Å; L102-P428 HydrophobicContact CD2-CG 3.7Å; L102-P428 HydrophobicContact CG-CG 4.42Å; L102-Y431 HydrophobicContact CD1-CD1 4.01Å; L102-Y431 HydrophobicContact CD1-CE1 3.85Å; L102-Y431 HydrophobicContact CD2-CD1 4.37Å; L102-Y431 HydrophobicContact CG-CD1 4.28Å; L102-Y431 HydrophobicContact CG-CE1 4.17Å; L102-A490 HydrophobicContact CB-CB 3.75Å; L102-A490 HydrophobicContact CD1-CB 4.41Å; L102-A493 HydrophobicContact CD1-CB 4.28Å; L102-A493 HydrophobicContact CD2-CB 4.49Å; L102-Q494 HydrophobicContact CD1-CB 4.25Å
103P98.6Very high98.2Very high0 Ų020.3 Ų20.30%011%0.113CC..  trans-67.5154.4-17927.2-34.6000111.3F60 C105 T108 N143 L144 A425 S435F60-P103 HydrophobicContact CE1-CB 4.21Å; P103-C105 PolarHBondContact O-N 2.75Å; P103-T108 HydrophobicContact CB-CG2 4Å; P103-T108 HydrophobicContact CG-CG2 3.91Å; P103-N143 WeakPolarHBondContact CD-O 3.22Å; P103-L144 HydrophobicContact CB-CD2 3.76Å; P103-L144 HydrophobicContact CG-CD2 4.07Å; P103-A425 HydrophobicContact CG-CB 4.23Å; P103-S435 VanDerWaalsContact CD-OG 3.28Å; P103-S435 WeakPolarHBondContact CD-OG 3.43Å; P103-S435 WeakPolarHBondContact O-CB 3.44Å; P103-S435 PolarHBondContact O-OG 2.84Å
104T97.7Very high98.2Very high4 Ų420.6 Ų20.63%0.02512%0.115CC..SBendtrans-51.7-31.4-179.149.50000113.8S59 L62 N93 A97S59-T104 PolarHBondContact O-N 3.34Å; S59-T104 PolarHBondContact O-OG1 2.76Å; S59-T104 VanDerWaalsContact O-OG1 3.07Å; L62-T104 HydrophobicContact CD2-CG2 4.49Å; L62-T104 HydrophobicContact CG-CG2 4.36Å; N93-T104 PolarHBondContact ND2-O 2.8Å; A97-T104 HydrophobicContact CB-CG2 3.52Å
105C98.5Very high98.2Very high12 Ų1220.3 Ų20.38%0.08111%0.113CC..SBendtrans-142.8147.6179.2177.60000110P103 D107 A320P103-C105 PolarHBondContact O-N 2.75Å; C105-D107 PolarHBondContact O-N 3.1Å; C105-D107 PolarHBondContact SG-N 3.13Å; C105-A320 HydrophobicContact CB-CB 3.92Å
106Q98.1Very high98.3Very high7 Ų719.7 Ų19.73%0.03311%0.109CC..SBendtrans-63-31.9176.379-68.8-9.200112.5T108 R145 G423 S435 G437 P438 A489Q106-T108 PolarHBondContact O-N 2.83Å; Q106-R145 VanDerWaalsContact O-CD 3.27Å; Q106-R145 WeakPolarHBondContact O-CD 3.34Å; Q106-R145 PolarHBondContact O-NE 3.05Å; Q106-G423 WeakPolarHBondContact CG-O 3.26Å; Q106-S435 WeakPolarHBondContact CB-O 3.45Å; Q106-G437 VanDerWaalsContact CD-C 3.48Å; Q106-G437 WeakPolarHBondContact CG-O 3.06Å; Q106-G437 PolarHBondContact NE2-O 2.99Å; Q106-G437 VanDerWaalsContact NE2-O 3.08Å; Q106-G437 VanDerWaalsContact OE1-CA 3.23Å; Q106-P438 PolarHBondContact NE2-O 3.37Å; Q106-A489 HydrophobicContact CB-CB 4.2Å; Q106-A489 VanDerWaalsContact N-CB 3.35Å
107D98.3Very high98.3Very high24 Ų2421.2 Ų21.213%0.12812%0.116CC..  trans-84.491170.6-176.214.9000108.6C105 G109 R145 G186 G187 R322C105-D107 PolarHBondContact O-N 3.1Å; C105-D107 PolarHBondContact SG-N 3.13Å; D107-G109 PolarHBondContact O-N 2.93Å; D107-G109 WeakPolarHBondContact OD1-CA 3.44Å; D107-G109 PolarHBondContact OD1-N 3.5Å; D107-G109 VanDerWaalsContact OD1-N 3.13Å; D107-R145 VanDerWaalsContact CA-NH2 3.31Å; D107-R145 VanDerWaalsContact CB-NH2 3.28Å; D107-R145 IonicContact OD1-CZ 3.88Å; D107-R145 IonicContact OD1-NH2 2.83Å; D107-R145 PolarHBondContact OD1-NH2 2.99Å; D107-G186 VanDerWaalsContact OD2-CA 3.27Å; D107-G186 WeakPolarHBondContact OD2-CA 3.31Å; D107-G187 PolarHBondContact OD2-N 3.42Å; D107-R322 PolarHBondContact O-NH1 3.25Å; D107-R322 PolarHBondContact O-NH2 3.38Å
108T98.6Very high98.3Very high0 Ų021.3 Ų21.30%012%0.116CC..  trans-69.5-8176.553.20000112.5P103 Q106 Y139 L144 R145 R322P103-T108 HydrophobicContact CB-CG2 4Å; P103-T108 HydrophobicContact CG-CG2 3.91Å; Q106-T108 PolarHBondContact O-N 2.83Å; T108-Y139 PolarHBondContact O-OH 3.33Å; T108-Y139 VanDerWaalsContact O-OH 3.05Å; T108-Y139 WeakPolarHBondContact OG1-CE1 3.19Å; T108-L144 HydrophobicContact CG2-CB 3.82Å; T108-L144 HydrophobicContact CG2-CD2 3.74Å; T108-L144 HydrophobicContact CG2-CG 4.29Å; T108-R145 HydrophobicContact CG2-CB 4.41Å; T108-R145 WeakPolarHBondContact OG1-CB 3.39Å; T108-R145 PolarHBondContact OG1-N 3.46Å; T108-R145 PolarHBondContact OG1-O 3.29Å; T108-R145 VanDerWaalsContact OG1-O 3.06Å; T108-R322 PolarHBondContact O-NH2 3.3Å
109G98.3Very high98.3Very high1 Ų126.9 Ų26.91%0.0114%0.138CC..  trans83174.7165.300000114.7D107 Y139 N163 K185D107-G109 PolarHBondContact O-N 2.93Å; D107-G109 WeakPolarHBondContact OD1-CA 3.44Å; D107-G109 PolarHBondContact OD1-N 3.5Å; D107-G109 VanDerWaalsContact OD1-N 3.13Å; G109-Y139 PolarHBondContact O-OH 3.27Å; G109-N163 PolarHBondContact O-ND2 3.31Å; G109-K185 CarbonylContact C-O 3.28Å; G109-K185 WeakPolarHBondContact CA-O 3.4Å
110T98.8Very high98.3Very high40 Ų4024 Ų2425%0.24512%0.123CC..EExtended strand (participates in β ladder)trans-79.1131.1168.9-59.30000108.8I112 Q148 K185T110-I112 HydrophobicContact CG2-CG1 4.29Å; T110-I112 PolarHBondContact O-N 2.96Å; T110-Q148 PolarHBondContact OG1-NE2 3.33Å; T110-Q148 PolarHBondContact OG1-OE1 3.36Å; T110-K185 PolarHBondContact N-O 2.92Å; T110-K185 PolarHBondContact O-N 3.13Å
111A98.9Very high98.4Very high0 Ų023 Ų230%011%0.113CC..EExtended strand (participates in β ladder)trans-73.4119172.700000109.8F55 V135 A166 Q167F55-A111 HydrophobicContact CD1-CB 4.31Å; F55-A111 HydrophobicContact CE1-CB 3.66Å; F55-A111 HydrophobicContact CE2-CB 4.26Å; F55-A111 HydrophobicContact CZ-CB 3.63Å; A111-V135 HydrophobicContact CB-CB 4.45Å; A111-V135 HydrophobicContact CB-CG1 3.54Å; A111-V135 HydrophobicContact CB-CG2 3.97Å; A111-A166 HydrophobicContact CB-CB 3.98Å; A111-A166 CarbonylContact O-C 3.27Å; A111-A166 WeakPolarHBondContact O-CA 3.47Å; A111-Q167 PolarHBondContact O-N 2.89Å
112I98.9Very high98.4Very high11 Ų1126.4 Ų26.46%0.05612%0.121CC..EExtended strand (participates in β ladder)trans-121.9131.4178-53.5176.8000108.5T110 Q167 C182 V183 K185T110-I112 HydrophobicContact CG2-CG1 4.29Å; T110-I112 PolarHBondContact O-N 2.96Å; I112-Q167 CarbonylContact C-O 3.46Å; I112-Q167 VanDerWaalsContact CA-O 3.31Å; I112-Q167 WeakPolarHBondContact CA-O 3.44Å; I112-Q167 HydrophobicContact CB-CB 4.43Å; I112-Q167 HydrophobicContact CG1-CB 4.13Å; I112-Q167 HydrophobicContact CG2-CB 4.24Å; I112-Q167 HydrophobicContact CG2-CG 4.3Å; I112-C182 CarbonylContact O-C 3.51Å; I112-C182 WeakPolarHBondContact O-CA 3.47Å; I112-V183 HydrophobicContact CB-CB 4.24Å; I112-V183 PolarHBondContact N-O 3.41Å; I112-V183 PolarHBondContact O-N 2.67Å; I112-K185 HydrophobicContact CD1-CB 3.81Å
113I98.9Very high98.4Very high0 Ų026.6 Ų26.60%012%0.122CC..EExtended strand (participates in β ladder)trans-126.5119.5178-55.6174.2000108.4A51 F55 L131 V135 Q167 I168 D169 F180A51-I113 HydrophobicContact CB-CD1 4.4Å; F55-I113 HydrophobicContact CE2-CD1 3.84Å; F55-I113 HydrophobicContact CE2-CG1 3.71Å; F55-I113 HydrophobicContact CZ-CD1 4.43Å; F55-I113 HydrophobicContact CZ-CG1 3.84Å; I113-L131 HydrophobicContact CD1-CB 3.83Å; I113-L131 HydrophobicContact CD1-CD1 4.49Å; I113-L131 HydrophobicContact CD1-CD2 4.16Å; I113-L131 HydrophobicContact CD1-CG 4.38Å; I113-L131 HydrophobicContact CG2-CD1 4.25Å; I113-V135 HydrophobicContact CD1-CG2 4.13Å; I113-Q167 PolarHBondContact N-O 3.17Å; I113-I168 HydrophobicContact CB-CG1 4.48Å; I113-I168 HydrophobicContact CD1-CG1 4.35Å; I113-D169 PolarHBondContact O-N 3.41Å; I113-F180 HydrophobicContact CG2-CD1 3.91Å
114V98.8Very high98.3Very high11 Ų1130.7 Ų30.77%0.06716%0.164CC..EExtended strand (participates in β ladder)trans-103.8102.8168.7177.30000107.9D169 Y171 F180 L181 L247V114-D169 WeakPolarHBondContact CA-O 3.32Å; V114-Y171 HydrophobicContact CG1-CD2 4.21Å; V114-Y171 HydrophobicContact CG1-CE2 4Å; V114-F180 CarbonylContact O-C 3.58Å; V114-F180 VanDerWaalsContact O-CA 3.3Å; V114-F180 WeakPolarHBondContact O-CA 3.27Å; V114-L181 HydrophobicContact CB-CB 4.42Å; V114-L181 PolarHBondContact N-O 3.47Å; V114-L181 PolarHBondContact O-N 3.23Å; V114-L247 HydrophobicContact CG2-CD2 4.31Å
115G98.7Very high98.2Very high0 Ų032.4 Ų32.40%018%0.183CC..EExtended strand (participates in β ladder)trans-97.6138.9177.700000111.8D169 L170 Y171 K179G115-D169 PolarHBondContact N-O 3.17Å; G115-L170 CarbonylContact O-C 3.47Å; G115-L170 WeakPolarHBondContact O-CA 3.33Å; G115-Y171 WeakPolarHBondContact O-CD2 3.24Å; G115-Y171 PolarHBondContact O-N 3.28Å; G115-K179 CarbonylContact C-O 3.47Å; G115-K179 WeakPolarHBondContact CA-O 3.27Å
116K98.5Very high98.1Very high57 Ų5733.8 Ų33.825%0.24820%0.199CC..EExtended strand (participates in β ladder)trans-124.3100.9172.1-67.8-177.2176.1179.80108.1Y171 V173 Y178 K179 Y252K116-Y171 CarbonylContact C-O 3.47Å; K116-Y171 WeakPolarHBondContact CA-O 3.35Å; K116-V173 HydrophobicContact CB-CG1 4.06Å; K116-V173 HydrophobicContact CB-CG2 4Å; K116-V173 HydrophobicContact CD-CG1 4.37Å; K116-V173 HydrophobicContact CG-CG1 4.31Å; K116-Y178 WeakPolarHBondContact O-CD2 3.32Å; K116-K179 HydrophobicContact CB-CB 4.43Å; K116-K179 PolarHBondContact N-O 3.11Å; K116-K179 PolarHBondContact O-N 2.94Å; K116-Y252 WeakPolarHBondContact CE-OH 3.38Å; K116-Y252 PolarHBondContact NZ-OH 2.92Å
117K98.7Very high98.1Very high46 Ų4633.7 Ų33.720%0.220%0.198CC..EExtended strand (participates in β ladder)trans-90.3115.9-175.1-170175.8-173.3163.90110.1V121 T123 D127 Y171 V173 Y178K117-V121 WeakPolarHBondContact CE-O 3.47Å; K117-V121 HydrophobicContact CG-CB 4.1Å; K117-V121 HydrophobicContact CG-CG1 4.43Å; K117-T123 PolarHBondContact NZ-OG1 2.92Å; K117-D127 IonicContact NZ-OD1 3.18Å; K117-D127 PolarHBondContact NZ-OD1 3.48Å; K117-D127 IonicContact NZ-OD2 3.99Å; K117-D127 PolarHBondContact NZ-OD2 3.05Å; K117-Y171 PolarHBondContact N-O 3.31Å; K117-V173 WeakPolarHBondContact O-CG2 3.36Å; K117-V173 PolarHBondContact O-N 2.78Å; K117-Y178 HydrophobicContact CB-CD1 4.48Å; K117-Y178 HydrophobicContact CB-CD2 3.91Å; K117-Y178 HydrophobicContact CB-CE1 4.19Å; K117-Y178 HydrophobicContact CB-CE2 3.57Å; K117-Y178 HydrophobicContact CB-CG 4.34Å; K117-Y178 HydrophobicContact CD-CE1 3.93Å; K117-Y178 HydrophobicContact CG-CD1 4.07Å; K117-Y178 HydrophobicContact CG-CD2 4.34Å; K117-Y178 HydrophobicContact CG-CE1 3.89Å; K117-Y178 HydrophobicContact CG-CE2 4.17Å; K117-Y178 HydrophobicContact CG-CG 4.28Å
118G98.4Very high98.2Very high2 Ų237.4 Ų37.42%0.02122%0.215CC..EExtended strand (participates in β ladder)trans-58.7142.6171.100000111.8R120 V121 V173 G175 E177G118-R120 PolarHBondContact O-N 3.17Å; G118-R120 VanDerWaalsContact O-N 3.1Å; G118-V121 WeakPolarHBondContact O-CB 3.33Å; G118-V121 PolarHBondContact O-N 3.11Å; G118-V173 CarbonylContact C-O 3.59Å; G118-V173 VanDerWaalsContact CA-O 3.25Å; G118-V173 WeakPolarHBondContact CA-O 3.42Å; G118-G175 CarbonylContact C-O 3.6Å; G118-G175 VanDerWaalsContact C-O 3.31Å; G118-G175 VanDerWaalsContact CA-O 3.28Å; G118-G175 WeakPolarHBondContact CA-O 3.31Å; G118-E177 WeakPolarHBondContact CA-O 3.39Å; G118-E177 PolarHBondContact N-O 3.47Å
119Q97.4Very high98.2Very high143 Ų14344.8 Ų44.867%0.66825%0.249SC*.THydrogen-bonded Turntrans-53.3-32.4178.5-175.3-170.8-0.900112.5V121 V173 G175Q119-V121 VanDerWaalsContact C-N 3.32Å; Q119-V173 PolarHBondContact N-O 3.19Å; Q119-G175 PolarHBondContact N-O 3.09Å
120R98Very high98.2Very high77 Ų7745.8 Ų45.829%0.29126%0.255SS..THydrogen-bonded Turntrans-93.520.1179.6-62.6-172.3-63.5-121.3-6.9113.3E37 T38 I39 L40 G118 G175 D176E37-R120 VanDerWaalsContact OE2-CD 3.32Å; E37-R120 WeakPolarHBondContact OE2-CD 3.32Å; E37-R120 IonicContact OE2-CZ 3.61Å; E37-R120 IonicContact OE2-NE 3.8Å; E37-R120 IonicContact OE2-NH1 2.74Å; E37-R120 PolarHBondContact OE2-NH1 3.39Å; T38-R120 WeakPolarHBondContact O-CD 3.31Å; I39-R120 HydrophobicContact CD1-CB 3.97Å; I39-R120 HydrophobicContact CD1-CG 3.98Å; L40-R120 PolarHBondContact N-O 3.42Å; G118-R120 PolarHBondContact O-N 3.17Å; G118-R120 VanDerWaalsContact O-N 3.1Å; R120-G175 PolarHBondContact N-O 3.04Å; R120-D176 HydrophobicContact CB-CB 4.26Å
121V98.6Very high98.2Very high4 Ų443.9 Ų43.92%0.02424%0.244CC..EExtended strand (participates in β ladder)trans-107115.9174.5-175.90000110.3L40 V42 K117 G118 Q119 T123 Y178L40-V121 HydrophobicContact CB-CG2 4.45Å; L40-V121 HydrophobicContact CD2-CG1 4.46Å; L40-V121 HydrophobicContact CD2-CG2 4.2Å; L40-V121 CarbonylContact O-C 3.55Å; L40-V121 WeakPolarHBondContact O-CA 3.38Å; V42-V121 HydrophobicContact CG2-CG1 3.73Å; K117-V121 WeakPolarHBondContact CE-O 3.47Å; K117-V121 HydrophobicContact CG-CB 4.1Å; K117-V121 HydrophobicContact CG-CG1 4.43Å; G118-V121 WeakPolarHBondContact O-CB 3.33Å; G118-V121 PolarHBondContact O-N 3.11Å; Q119-V121 VanDerWaalsContact C-N 3.32Å; V121-T123 HydrophobicContact CG1-CG2 4.39Å; V121-Y178 HydrophobicContact CG1-CD1 4.03Å; V121-Y178 HydrophobicContact CG1-CG 4.45Å
122W98.4Very high98.2Very high115 Ų11545.2 Ų45.244%0.43625%0.253SS..EExtended strand (participates in β ladder)trans-110.2120.7178.7-68.22000111F34 I39 L40 K41 V42F34-W122 HydrophobicContact CB-CH2 3.99Å; F34-W122 AromaticContact CD1-CH2 3.91Å; F34-W122 HydrophobicContact CD1-CH2 3.91Å; F34-W122 HydrophobicContact CD1-CZ2 4.09Å; F34-W122 AromaticContact CD2-CH2 3.87Å; F34-W122 HydrophobicContact CD2-CH2 3.87Å; F34-W122 HydrophobicContact CE1-CH2 4.35Å; F34-W122 HydrophobicContact CE2-CH2 4.32Å; F34-W122 AromaticContact CG-CH2 3.64Å; F34-W122 HydrophobicContact CG-CH2 3.64Å; F34-W122 HydrophobicContact CG-CZ2 4.24Å; I39-W122 HydrophobicContact CD1-CZ2 4.17Å; I39-W122 HydrophobicContact CG1-CH2 4.29Å; I39-W122 HydrophobicContact CG1-CZ2 4.06Å; I39-W122 HydrophobicContact CG2-CB 4.09Å; I39-W122 HydrophobicContact CG2-CD2 3.4Å; I39-W122 VanDerWaalsContact CG2-CD2 3.4Å; I39-W122 HydrophobicContact CG2-CE3 3.76Å; I39-W122 HydrophobicContact CG2-CG 3.56Å; I39-W122 HydrophobicContact CG2-CZ2 4.28Å; I39-W122 HydrophobicContact CG2-CZ3 4.33Å; L40-W122 PolarHBondContact O-N 3.19Å; K41-W122 WeakPolarHBondContact CA-O 3.47Å; V42-W122 PolarHBondContact N-O 3.5Å
123T98.2Very high98.2Very high5 Ų549.4 Ų49.43%0.03127%0.271CS..  trans-110.5-8.5-177.956.90000113.9V42 L47 K117 V121 G125 D127 Y178V42-T123 HydrophobicContact CB-CG2 4.19Å; V42-T123 WeakPolarHBondContact O-CA 3.31Å; L47-T123 HydrophobicContact CD1-CG2 4.17Å; K117-T123 PolarHBondContact NZ-OG1 2.92Å; V121-T123 HydrophobicContact CG1-CG2 4.39Å; T123-G125 VanDerWaalsContact C-N 3.29Å; T123-G125 PolarHBondContact OG1-N 2.97Å; T123-D127 WeakPolarHBondContact CB-OD1 3.37Å; T123-D127 PolarHBondContact OG1-OD1 3.23Å; T123-Y178 HydrophobicContact CG2-CD1 4.17Å; T123-Y178 HydrophobicContact CG2-CE1 3.95Å
124G95.2Very high98.2Very high86 Ų8649.4 Ų49.489%0.88727%0.271SS*.  trans84.3-7.2-166.700000114.9
125G95.7Very high98.2Very high40 Ų4048.9 Ų48.941%0.41227%0.268SS..SBendtrans84.9-179.4-175.300000112.6T123 D127T123-G125 VanDerWaalsContact C-N 3.29Å; T123-G125 PolarHBondContact OG1-N 2.97Å; G125-D127 PolarHBondContact O-N 2.98Å
126G97.1Very high98.2Very high40 Ų4052.8 Ų52.841%0.41228%0.283SS..  trans67.125.7-175.800000113.6E128 E129 T130G126-E128 PolarHBondContact O-N 3.45Å; G126-E129 PolarHBondContact O-N 3.06Å; G126-E129 VanDerWaalsContact O-N 3.1Å; G126-T130 PolarHBondContact O-N 2.92Å; G126-T130 PolarHBondContact O-OG1 3.47Å
127D98.6Very high98.2Very high6 Ų651.1 Ų51.13%0.03228%0.277CS..Hα-helixtrans-54.9-37.5-178.1-64.222.6000111.2L47 K117 T123 G125 E129 T130 L131 L170 Y178L47-D127 HydrophobicContact CD1-CB 3.88Å; K117-D127 IonicContact NZ-OD1 3.18Å; K117-D127 PolarHBondContact NZ-OD1 3.48Å; K117-D127 IonicContact NZ-OD2 3.99Å; K117-D127 PolarHBondContact NZ-OD2 3.05Å; T123-D127 WeakPolarHBondContact CB-OD1 3.37Å; T123-D127 PolarHBondContact OG1-OD1 3.23Å; G125-D127 PolarHBondContact O-N 2.98Å; D127-E129 PolarHBondContact O-N 3.38Å; D127-T130 WeakPolarHBondContact CA-OG1 3.38Å; D127-T130 PolarHBondContact O-N 2.9Å; D127-T130 PolarHBondContact O-OG1 3.14Å; D127-L131 VanDerWaalsContact O-CB 3.29Å; D127-L131 WeakPolarHBondContact O-CB 3.28Å; D127-L131 WeakPolarHBondContact O-CD1 3.35Å; D127-L131 WeakPolarHBondContact O-CG 3.43Å; D127-L131 PolarHBondContact O-N 3.1Å; D127-L170 HydrophobicContact CB-CD1 3.45Å; D127-L170 VanDerWaalsContact CB-CD1 3.45Å; D127-Y178 VanDerWaalsContact OD2-CE1 3.28Å; D127-Y178 WeakPolarHBondContact OD2-CE1 3.42Å; D127-Y178 PolarHBondContact OD2-OH 3.45Å
128E98.7Very high98.2Very high101 Ų10149 Ų4947%0.47227%0.268SS..Hα-helixtrans-64.4-39.3179.2-59.19115300112.7G126 S132 I168 L170G126-E128 PolarHBondContact O-N 3.45Å; E128-S132 WeakPolarHBondContact O-CB 3.42Å; E128-S132 PolarHBondContact O-N 3.5Å; E128-S132 PolarHBondContact O-OG 3.09Å; E128-I168 HydrophobicContact CB-CD1 4.22Å; E128-I168 HydrophobicContact CB-CG2 4.49Å; E128-I168 HydrophobicContact CG-CB 4.46Å; E128-I168 HydrophobicContact CG-CG2 4.04Å; E128-I168 VanDerWaalsContact O-CD1 3.25Å; E128-I168 WeakPolarHBondContact O-CD1 3.32Å; E128-L170 HydrophobicContact CG-CD1 3.96Å
129E98.7Very high98.2Very high155 Ų15548.9 Ų48.972%0.72427%0.267SS*.Hα-helixtrans-67.1-45.8178.6-179.6176.3-167.600110.6G126 D127 S132 K133G126-E129 PolarHBondContact O-N 3.06Å; G126-E129 VanDerWaalsContact O-N 3.1Å; D127-E129 PolarHBondContact O-N 3.38Å; E129-S132 WeakPolarHBondContact O-CB 3.33Å; E129-S132 PolarHBondContact O-N 3.27Å; E129-K133 PolarHBondContact O-N 3.22Å
130T98.5Very high98.3Very high22 Ų2245.1 Ų45.114%0.13525%0.25CS..Hα-helixtrans-69.3-41.4-178.753.10000112.4P44 L47 T48 G126 D127 K133 G134P44-T130 HydrophobicContact CB-CG2 3.56Å; L47-T130 WeakPolarHBondContact CD1-OG1 3.47Å; T48-T130 WeakPolarHBondContact CA-O 3.42Å; T48-T130 PolarHBondContact OG1-O 2.74Å; T48-T130 VanDerWaalsContact OG1-O 3.12Å; G126-T130 PolarHBondContact O-N 2.92Å; G126-T130 PolarHBondContact O-OG1 3.47Å; D127-T130 WeakPolarHBondContact CA-OG1 3.38Å; D127-T130 PolarHBondContact O-N 2.9Å; D127-T130 PolarHBondContact O-OG1 3.14Å; T130-K133 WeakPolarHBondContact O-CB 3.44Å; T130-K133 PolarHBondContact O-N 3.42Å; T130-G134 PolarHBondContact O-N 3.01Å; T130-G134 VanDerWaalsContact O-N 3.17Å
131L98.9Very high98.3Very high0 Ų047.2 Ų47.20%026%0.264CS..Hα-helixtrans-61.9-43.2170.4-71.3168.4000111.6L47 A51 I113 D127 K133 G134 V135 I168 L170 F180L47-L131 HydrophobicContact CB-CD2 4.03Å; L47-L131 HydrophobicContact CB-CG 4.2Å; L47-L131 HydrophobicContact CD2-CD2 4.47Å; A51-L131 HydrophobicContact CB-CD2 4.07Å; I113-L131 HydrophobicContact CD1-CB 3.83Å; I113-L131 HydrophobicContact CD1-CD1 4.49Å; I113-L131 HydrophobicContact CD1-CD2 4.16Å; I113-L131 HydrophobicContact CD1-CG 4.38Å; I113-L131 HydrophobicContact CG2-CD1 4.25Å; D127-L131 VanDerWaalsContact O-CB 3.29Å; D127-L131 WeakPolarHBondContact O-CB 3.28Å; D127-L131 WeakPolarHBondContact O-CD1 3.35Å; D127-L131 WeakPolarHBondContact O-CG 3.43Å; D127-L131 PolarHBondContact O-N 3.1Å; L131-K133 VanDerWaalsContact C-N 3.26Å; L131-K133 PolarHBondContact O-N 3.32Å; L131-G134 PolarHBondContact O-N 3.46Å; L131-V135 PolarHBondContact O-N 3.3Å; L131-V135 VanDerWaalsContact O-N 3.12Å; L131-I168 HydrophobicContact CB-CD1 3.95Å; L131-I168 HydrophobicContact CD1-CG2 3.9Å; L131-L170 HydrophobicContact CD1-CD2 3.89Å; L131-F180 HydrophobicContact CD1-CE1 4.26Å; L131-F180 HydrophobicContact CD2-CE1 4.09Å
132S98.9Very high98.3Very high28 Ų2848.3 Ų48.320%0.19627%0.269CS..Hα-helixtrans-62.2-34.5175.5-64.30000112E128 E129 V135 Y136 I168E128-S132 WeakPolarHBondContact O-CB 3.42Å; E128-S132 PolarHBondContact O-N 3.5Å; E128-S132 PolarHBondContact O-OG 3.09Å; E129-S132 WeakPolarHBondContact O-CB 3.33Å; E129-S132 PolarHBondContact O-N 3.27Å; S132-V135 PolarHBondContact O-N 3.01Å; S132-Y136 WeakPolarHBondContact O-CB 3.19Å; S132-Y136 PolarHBondContact O-N 3.35Å; S132-I168 VanDerWaalsContact OG-CD1 3.26Å; S132-I168 WeakPolarHBondContact OG-CD1 3.39Å
133K98.8Very high98.3Very high99 Ų9944.7 Ų44.743%0.4326%0.258SS..Hα-helixtrans-64.1-40.8175.3-176.858.7177.8167.80111.8T48 E129 T130 L131 Y136 N137T48-K133 HydrophobicContact CG2-CB 4.19Å; T48-K133 HydrophobicContact CG2-CG 3.86Å; E129-K133 PolarHBondContact O-N 3.22Å; T130-K133 WeakPolarHBondContact O-CB 3.44Å; T130-K133 PolarHBondContact O-N 3.42Å; L131-K133 VanDerWaalsContact C-N 3.26Å; L131-K133 PolarHBondContact O-N 3.32Å; K133-Y136 HydrophobicContact CD-CD1 4.4Å; K133-Y136 WeakPolarHBondContact O-CB 3.26Å; K133-Y136 PolarHBondContact O-N 3.19Å; K133-N137 WeakPolarHBondContact CE-OD1 3.35Å; K133-N137 PolarHBondContact NZ-OD1 3.41Å; K133-N137 PolarHBondContact O-N 3.19Å; K133-N137 PolarHBondContact O-OD1 3.4Å
134G98.9Very high98.3Very high0 Ų044.5 Ų44.50%026%0.257CS..Hα-helixtrans-64.5-42.2174.900000112.8T48 Q52 T130 L131 N137 T138T48-G134 VanDerWaalsContact O-CA 3.26Å; T48-G134 WeakPolarHBondContact O-CA 3.39Å; Q52-G134 WeakPolarHBondContact CA-O 3.37Å; T130-G134 PolarHBondContact O-N 3.01Å; T130-G134 VanDerWaalsContact O-N 3.17Å; L131-G134 PolarHBondContact O-N 3.46Å; G134-N137 PolarHBondContact O-N 3.02Å; G134-T138 PolarHBondContact O-N 3.22Å; G134-T138 VanDerWaalsContact O-N 3.11Å; G134-T138 PolarHBondContact O-OG1 3.42Å
135V98.9Very high98.4Very high0 Ų040.7 Ų40.70%022%0.216CC..Hα-helixtrans-58.5-50.7171.4175.10000110.4F55 A111 I113 L131 S132 N137 T138 Y139 L164 A166F55-V135 HydrophobicContact CD2-CG2 3.65Å; F55-V135 HydrophobicContact CE2-CG2 3.48Å; F55-V135 VanDerWaalsContact CE2-CG2 3.48Å; F55-V135 HydrophobicContact CZ-CG2 4.25Å; A111-V135 HydrophobicContact CB-CB 4.45Å; A111-V135 HydrophobicContact CB-CG1 3.54Å; A111-V135 HydrophobicContact CB-CG2 3.97Å; I113-V135 HydrophobicContact CD1-CG2 4.13Å; L131-V135 PolarHBondContact O-N 3.3Å; L131-V135 VanDerWaalsContact O-N 3.12Å; S132-V135 PolarHBondContact O-N 3.01Å; V135-N137 PolarHBondContact O-N 3.35Å; V135-T138 PolarHBondContact O-N 3.01Å; V135-Y139 HydrophobicContact CG1-CD2 3.94Å; V135-Y139 HydrophobicContact CG1-CE2 4.11Å; V135-Y139 VanDerWaalsContact O-CD2 3.31Å; V135-Y139 WeakPolarHBondContact O-CD2 3.24Å; V135-Y139 PolarHBondContact O-N 2.85Å; V135-L164 HydrophobicContact CB-CD2 4.11Å; V135-L164 HydrophobicContact CG1-CD2 3.74Å; V135-A166 HydrophobicContact CG1-CB 4.49Å; V135-A166 HydrophobicContact CG2-CB 4.22Å
136Y98.9Very high98.6Very high83 Ų8341.4 Ų41.433%0.32521%0.207SC..Hα-helixtrans-54.7-51.7178.3174.7-87.1000111.4S132 K133 T138 Y139 I140 T162 L164S132-Y136 WeakPolarHBondContact O-CB 3.19Å; S132-Y136 PolarHBondContact O-N 3.35Å; K133-Y136 HydrophobicContact CD-CD1 4.4Å; K133-Y136 WeakPolarHBondContact O-CB 3.26Å; K133-Y136 PolarHBondContact O-N 3.19Å; Y136-T138 VanDerWaalsContact C-N 3.33Å; Y136-T138 PolarHBondContact O-N 3.43Å; Y136-Y139 PolarHBondContact O-N 3.49Å; Y136-I140 HydrophobicContact CD1-CG1 3.96Å; Y136-I140 HydrophobicContact CD2-CG1 4.17Å; Y136-I140 HydrophobicContact CE1-CB 4.45Å; Y136-I140 HydrophobicContact CE1-CG1 3.59Å; Y136-I140 HydrophobicContact CE2-CD1 4.1Å; Y136-I140 HydrophobicContact CE2-CG1 3.84Å; Y136-I140 HydrophobicContact CG-CG1 4.23Å; Y136-I140 WeakPolarHBondContact O-CB 3.45Å; Y136-I140 VanDerWaalsContact O-CG1 3.28Å; Y136-I140 WeakPolarHBondContact O-CG1 3.49Å; Y136-I140 PolarHBondContact O-N 2.99Å; Y136-T162 HydrophobicContact CD2-CG2 3.89Å; Y136-T162 HydrophobicContact CE2-CG2 3.52Å; Y136-L164 HydrophobicContact CD2-CD1 4.23Å
137N98.8Very high98.6Very high22 Ų2240.5 Ų40.512%0.11819%0.194CC..Hα-helixtrans-56.3-48.9-178.9-67.4-7.2000110.8Q52 K133 G134 V135 Y139 I140 E141Q52-N137 HydrophobicContact CG-CB 4.26Å; Q52-N137 VanDerWaalsContact OE1-CB 3.29Å; Q52-N137 PolarHBondContact OE1-ND2 3.28Å; K133-N137 WeakPolarHBondContact CE-OD1 3.35Å; K133-N137 PolarHBondContact NZ-OD1 3.41Å; K133-N137 PolarHBondContact O-N 3.19Å; K133-N137 PolarHBondContact O-OD1 3.4Å; G134-N137 PolarHBondContact O-N 3.02Å; V135-N137 PolarHBondContact O-N 3.35Å; N137-Y139 PolarHBondContact O-N 3.44Å; N137-I140 PolarHBondContact O-N 3.2Å; N137-E141 VanDerWaalsContact O-CB 3.29Å; N137-E141 WeakPolarHBondContact O-CB 2.96Å; N137-E141 VanDerWaalsContact O-CG 3.3Å; N137-E141 WeakPolarHBondContact O-CG 3.49Å; N137-E141 PolarHBondContact O-N 2.92Å
138T98.7Very high98.6Very high1 Ų141.9 Ų41.91%0.00620%0.2CC..Hα-helixtrans-54.3-52.1177.2-44.30000111.4Q52 F55 H56 G134 V135 Y136 I140 E141 D142 L144Q52-T138 VanDerWaalsContact CA-OG1 3.29Å; Q52-T138 WeakPolarHBondContact CA-OG1 3.33Å; Q52-T138 PolarHBondContact O-OG1 2.81Å; F55-T138 HydrophobicContact CB-CG2 3.97Å; H56-T138 HydrophobicContact CB-CG2 4.23Å; G134-T138 PolarHBondContact O-N 3.22Å; G134-T138 VanDerWaalsContact O-N 3.11Å; G134-T138 PolarHBondContact O-OG1 3.42Å; V135-T138 PolarHBondContact O-N 3.01Å; Y136-T138 VanDerWaalsContact C-N 3.33Å; Y136-T138 PolarHBondContact O-N 3.43Å; T138-I140 VanDerWaalsContact C-N 3.3Å; T138-I140 PolarHBondContact O-N 3.02Å; T138-E141 PolarHBondContact O-N 3.37Å; T138-D142 WeakPolarHBondContact CG2-OD2 3.35Å; T138-D142 VanDerWaalsContact O-CB 3.27Å; T138-D142 WeakPolarHBondContact O-CB 3.37Å; T138-D142 PolarHBondContact O-N 2.86Å; T138-L144 HydrophobicContact CG2-CD1 3.85Å
139Y98.7Very high98.6Very high0 Ų040 Ų400%019%0.193CC..Hα-helixtrans-71.1-24.8-175.5-84.2-99.2000113.4T108 G109 V135 Y136 N137 L144 R145 Y146 N163 K426T108-Y139 PolarHBondContact O-OH 3.33Å; T108-Y139 VanDerWaalsContact O-OH 3.05Å; T108-Y139 WeakPolarHBondContact OG1-CE1 3.19Å; G109-Y139 PolarHBondContact O-OH 3.27Å; V135-Y139 HydrophobicContact CG1-CD2 3.94Å; V135-Y139 HydrophobicContact CG1-CE2 4.11Å; V135-Y139 VanDerWaalsContact O-CD2 3.31Å; V135-Y139 WeakPolarHBondContact O-CD2 3.24Å; V135-Y139 PolarHBondContact O-N 2.85Å; Y136-Y139 PolarHBondContact O-N 3.49Å; N137-Y139 PolarHBondContact O-N 3.44Å; Y139-L144 HydrophobicContact CD1-CB 3.78Å; Y139-L144 HydrophobicContact CD1-CD1 4.11Å; Y139-L144 HydrophobicContact CD2-CD1 4.07Å; Y139-L144 HydrophobicContact CE1-CB 4.03Å; Y139-L144 HydrophobicContact CE1-CD1 4.15Å; Y139-L144 HydrophobicContact CE2-CD1 4.1Å; Y139-L144 HydrophobicContact CG-CB 4.38Å; Y139-L144 HydrophobicContact CG-CD1 4.08Å; Y139-R145 WeakPolarHBondContact CE1-O 3.36Å; Y139-Y146 VanDerWaalsContact O-CE1 3.28Å; Y139-Y146 WeakPolarHBondContact O-CE1 3.26Å; Y139-Y146 PolarHBondContact O-OH 3.41Å; Y139-N163 HydrophobicContact CD1-CB 3.33Å; Y139-N163 HydrophobicContact CE1-CB 3.56Å; Y139-N163 WeakPolarHBondContact CE1-ND2 3.46Å; Y139-N163 HydrophobicContact CG-CB 3.84Å; Y139-N163 PolarHBondContact OH-ND2 2.72Å; Y139-K426 WeakPolarHBondContact O-CE 3.42Å; Y139-K426 PolarHBondContact O-NZ 3.14Å
140I98.4Very high98.5Very high64 Ų6434.4 Ų34.433%0.32817%0.174SC..Hα-helixtrans-78.2-47.1173.4-67.6-55000111.3Y136 N137 T138 Y146 T162 K426Y136-I140 HydrophobicContact CD1-CG1 3.96Å; Y136-I140 HydrophobicContact CD2-CG1 4.17Å; Y136-I140 HydrophobicContact CE1-CB 4.45Å; Y136-I140 HydrophobicContact CE1-CG1 3.59Å; Y136-I140 HydrophobicContact CE2-CD1 4.1Å; Y136-I140 HydrophobicContact CE2-CG1 3.84Å; Y136-I140 HydrophobicContact CG-CG1 4.23Å; Y136-I140 WeakPolarHBondContact O-CB 3.45Å; Y136-I140 VanDerWaalsContact O-CG1 3.28Å; Y136-I140 WeakPolarHBondContact O-CG1 3.49Å; Y136-I140 PolarHBondContact O-N 2.99Å; N137-I140 PolarHBondContact O-N 3.2Å; T138-I140 VanDerWaalsContact C-N 3.3Å; T138-I140 PolarHBondContact O-N 3.02Å; I140-Y146 HydrophobicContact CD1-CE1 4.35Å; I140-T162 HydrophobicContact CD1-CG2 4.47Å; I140-K426 PolarHBondContact O-NZ 3.44Å
141E98.1Very high98.5Very high121 Ų12136.9 Ų36.957%0.56520%0.196SC*.Hα-helixtrans-79.5-41.8-171.6-67.4170.5-163.900112.7Q52 N137 T138Q52-E141 PolarHBondContact NE2-OE2 3.31Å; N137-E141 VanDerWaalsContact O-CB 3.29Å; N137-E141 WeakPolarHBondContact O-CB 2.96Å; N137-E141 VanDerWaalsContact O-CG 3.3Å; N137-E141 WeakPolarHBondContact O-CG 3.49Å; N137-E141 PolarHBondContact O-N 2.92Å; T138-E141 PolarHBondContact O-N 3.37Å
142D98.3Very high98.4Very high27 Ų2742.5 Ų42.514%0.14423%0.226CC..SBendtrans-85.8160.9-179.8-68.9-34.4000112.1H56 F60 T138 L144 K426H56-D142 IonicContact CE1-OD1 3.82Å; H56-D142 IonicContact CE1-OD2 2.74Å; H56-D142 IonicContact CG-OD2 3.73Å; H56-D142 IonicContact ND1-OD1 2.75Å; H56-D142 PolarHBondContact ND1-OD1 2.92Å; H56-D142 IonicContact ND1-OD2 3.02Å; H56-D142 PolarHBondContact ND1-OD2 3.45Å; F60-D142 HydrophobicContact CE2-CB 4.1Å; F60-D142 HydrophobicContact CZ-CB 4.11Å; T138-D142 WeakPolarHBondContact CG2-OD2 3.35Å; T138-D142 VanDerWaalsContact O-CB 3.27Å; T138-D142 WeakPolarHBondContact O-CB 3.37Å; T138-D142 PolarHBondContact O-N 2.86Å; D142-L144 HydrophobicContact CB-CD1 4.18Å; D142-L144 HydrophobicContact CB-CD2 4.26Å; D142-L144 HydrophobicContact CB-CG 3.74Å; D142-L144 PolarHBondContact O-N 3.18Å; D142-K426 WeakPolarHBondContact O-CE 3.41Å; D142-K426 PolarHBondContact O-NZ 3.1Å
143N98.3Very high98.4Very high39 Ų3944.5 Ų44.521%0.20923%0.234CC..SBendtrans-77.750.7179.3-55.3-61.7000113.1V101 P103 P428V101-N143 WeakPolarHBondContact O-CB 3.37Å; V101-N143 PolarHBondContact O-ND2 3.08Å; P103-N143 WeakPolarHBondContact CD-O 3.22Å; N143-P428 HydrophobicContact CB-CG 3.92Å; N143-P428 WeakPolarHBondContact OD1-CA 3.47Å
144L98.7Very high98.3Very high0 Ų047.3 Ų47.30%025%0.251CS..  trans-91.1-172.1-178.4-54.2-173.5000112.4F60 P103 T108 T138 Y139 D142 K426F60-L144 HydrophobicContact CE2-CD2 4.4Å; F60-L144 HydrophobicContact CZ-CD2 4.09Å; P103-L144 HydrophobicContact CB-CD2 3.76Å; P103-L144 HydrophobicContact CG-CD2 4.07Å; T108-L144 HydrophobicContact CG2-CB 3.82Å; T108-L144 HydrophobicContact CG2-CD2 3.74Å; T108-L144 HydrophobicContact CG2-CG 4.29Å; T138-L144 HydrophobicContact CG2-CD1 3.85Å; Y139-L144 HydrophobicContact CD1-CB 3.78Å; Y139-L144 HydrophobicContact CD1-CD1 4.11Å; Y139-L144 HydrophobicContact CD2-CD1 4.07Å; Y139-L144 HydrophobicContact CE1-CB 4.03Å; Y139-L144 HydrophobicContact CE1-CD1 4.15Å; Y139-L144 HydrophobicContact CE2-CD1 4.1Å; Y139-L144 HydrophobicContact CG-CB 4.38Å; Y139-L144 HydrophobicContact CG-CD1 4.08Å; D142-L144 HydrophobicContact CB-CD1 4.18Å; D142-L144 HydrophobicContact CB-CD2 4.26Å; D142-L144 HydrophobicContact CB-CG 3.74Å; D142-L144 PolarHBondContact O-N 3.18Å; L144-K426 WeakPolarHBondContact O-CB 3.36Å; L144-K426 WeakPolarHBondContact O-CE 3.35Å; L144-K426 VanDerWaalsContact O-CG 3.23Å; L144-K426 WeakPolarHBondContact O-CG 3.32Å; L144-K426 PolarHBondContact O-N 3.38Å
145R98.6Very high98.1Very high7 Ų757.1 Ų57.13%0.02629%0.289CS..  trans-124.1135.9-177.2-164.4179.373.7-178.5-1.8113.3Q106 D107 T108 Y139 S147 N163 G423 P424 A425 M510Q106-R145 VanDerWaalsContact O-CD 3.27Å; Q106-R145 WeakPolarHBondContact O-CD 3.34Å; Q106-R145 PolarHBondContact O-NE 3.05Å; D107-R145 VanDerWaalsContact CA-NH2 3.31Å; D107-R145 VanDerWaalsContact CB-NH2 3.28Å; D107-R145 IonicContact OD1-CZ 3.88Å; D107-R145 IonicContact OD1-NH2 2.83Å; D107-R145 PolarHBondContact OD1-NH2 2.99Å; T108-R145 HydrophobicContact CG2-CB 4.41Å; T108-R145 WeakPolarHBondContact OG1-CB 3.39Å; T108-R145 PolarHBondContact OG1-N 3.46Å; T108-R145 PolarHBondContact OG1-O 3.29Å; T108-R145 VanDerWaalsContact OG1-O 3.06Å; Y139-R145 WeakPolarHBondContact CE1-O 3.36Å; R145-S147 PolarHBondContact NE-OG 3.28Å; R145-S147 PolarHBondContact O-N 3.44Å; R145-S147 PolarHBondContact O-OG 3.13Å; R145-N163 PolarHBondContact O-OD1 3.34Å; R145-G423 PolarHBondContact NH1-O 3.01Å; R145-P424 WeakPolarHBondContact CD-O 3.16Å; R145-P424 WeakPolarHBondContact CG-O 3.32Å; R145-A425 HydrophobicContact CB-CB 4.2Å; R145-M510 HydrophobicContact CG-CB 3.93Å; R145-M510 HydrophobicContact CG-CG 3.94Å
146Y98.4Very high97.8Very high55 Ų5563.7 Ų63.722%0.21632%0.318CS..  trans-83.3108.6170.9-44.1-45.2000110.4Y139 I140 N159 G161 N163 K426Y139-Y146 VanDerWaalsContact O-CE1 3.28Å; Y139-Y146 WeakPolarHBondContact O-CE1 3.26Å; Y139-Y146 PolarHBondContact O-OH 3.41Å; I140-Y146 HydrophobicContact CD1-CE1 4.35Å; Y146-N159 WeakPolarHBondContact CB-OD1 3.48Å; Y146-N159 PolarHBondContact O-ND2 2.96Å; Y146-G161 VanDerWaalsContact CD2-C 3.47Å; Y146-G161 VanDerWaalsContact CD2-O 3.23Å; Y146-G161 WeakPolarHBondContact CD2-O 3.4Å; Y146-G161 WeakPolarHBondContact CE2-O 3.21Å; Y146-G161 VanDerWaalsContact CZ-O 3.32Å; Y146-N163 HydrophobicContact CD1-CB 4.26Å; Y146-K426 HydrophobicContact CE2-CD 4.22Å; Y146-K426 PolarHBondContact OH-NZ 3.2Å
147S98.5Very high97.8Very high21 Ų2165 Ų6515%0.14733%0.327CS..  trans-120-1.4-168.4-49.70000113.8R145 N163R145-S147 PolarHBondContact NE-OG 3.28Å; R145-S147 PolarHBondContact O-N 3.44Å; R145-S147 PolarHBondContact O-OG 3.13Å; S147-N163 WeakPolarHBondContact CA-OD1 3.3Å; S147-N163 WeakPolarHBondContact CB-OD1 3.44Å; S147-N163 PolarHBondContact N-OD1 2.97Å
148Q98.4Very high97.7Very high34 Ų3467.3 Ų67.316%0.15934%0.342CS..PPolyproline II helixtrans-91.8128178.3-52.1-48-58.200110.7T110 N159 T160 N163 L164T110-Q148 PolarHBondContact OG1-NE2 3.33Å; T110-Q148 PolarHBondContact OG1-OE1 3.36Å; Q148-N159 WeakPolarHBondContact O-CA 3.5Å; Q148-T160 HydrophobicContact CB-CG2 4.48Å; Q148-T160 PolarHBondContact O-N 2.79Å; Q148-N163 WeakPolarHBondContact CG-O 3.29Å; Q148-N163 PolarHBondContact NE2-OD1 3.07Å; Q148-L164 WeakPolarHBondContact CB-O 3.49Å
149N97.5Very high97.6Very high61 Ų6168.7 Ų68.733%0.32635%0.349SS..EExtended strand (participates in β ladder)trans-102.3127.3171.3-66.7-37.5000109E157 V158N149-E157 HydrophobicContact CB-CB 4.26Å; N149-V158 CarbonylContact C-O 3.33Å; N149-V158 WeakPolarHBondContact CA-O 3.27Å
150A98.1Very high97.6Very high38 Ų3870.8 Ų70.831%0.31436%0.362SS..EExtended strand (participates in β ladder)trans-89.4127.4170.200000109.5L152 E157 V158 T160A150-L152 PolarHBondContact O-N 3Å; A150-E157 CarbonylContact O-C 3.52Å; A150-E157 VanDerWaalsContact O-CA 3.26Å; A150-E157 WeakPolarHBondContact O-CA 3.3Å; A150-V158 HydrophobicContact CB-CG1 4.2Å; A150-V158 PolarHBondContact N-O 3.04Å; A150-V158 PolarHBondContact O-N 3.15Å; A150-T160 HydrophobicContact CB-CG2 3.92Å
151A97.8Very high97.5Very high74 Ų7469.3 Ų69.361%0.61236%0.362SS*.EExtended strand (participates in β ladder)trans-75116172.300000109.9
152L97.4Very high97.5Very high119 Ų11964.9 Ų64.962%0.62334%0.344SS*.SBendtrans-82.7-37.5174.7-60.9179.2000111A150 K156 V158A150-L152 PolarHBondContact O-N 3Å; L152-K156 HydrophobicContact CB-CB 4.31Å; L152-K156 WeakPolarHBondContact CB-O 3.43Å; L152-K156 PolarHBondContact N-O 2.91Å; L152-V158 HydrophobicContact CD1-CB 4.24Å; L152-V158 HydrophobicContact CD1-CG1 4.2Å; L152-V158 HydrophobicContact CD2-CG1 3.8Å; L152-V158 HydrophobicContact CG-CB 4.5Å; L152-V158 HydrophobicContact CG-CG1 4.03Å
153D97.7Very high97.6Very high69 Ų6963.6 Ų63.637%0.36934%0.337SS..SBendtrans-143.7-165.3166.564.345000108.6Y155 K156D153-Y155 PolarHBondContact O-N 3.49Å; D153-Y155 PolarHBondContact OD1-N 2.87Å; D153-K156 PolarHBondContact N-O 2.92Å; D153-K156 PolarHBondContact OD1-N 3.32Å; D153-K156 VanDerWaalsContact OD2-CD 3.29Å; D153-K156 WeakPolarHBondContact OD2-CD 3.5Å; D153-K156 WeakPolarHBondContact OD2-CG 3.47Å; D153-K156 IonicContact OD2-NZ 4Å
154M96.5Very high97.6Very high159 Ų15963.5 Ų63.578%0.78334%0.336SS*.SBendtrans-59.9-27.1-179.4-176.259.770.100113.8
155Y94.6Very high97.6Very high206 Ų20668.1 Ų68.181%0.80837%0.366SS*.SBendtrans-125.2-26.9-170.5-49.3-65.2000113.6D153D153-Y155 PolarHBondContact O-N 3.49Å; D153-Y155 PolarHBondContact OD1-N 2.87Å
156K94.3Very high97.6Very high137 Ų13768.5 Ų68.560%0.59637%0.371SS*.  trans-91.1128.7179.6-63.8-177.2-168164.50110.1L152 D153L152-K156 HydrophobicContact CB-CB 4.31Å; L152-K156 WeakPolarHBondContact CB-O 3.43Å; L152-K156 PolarHBondContact N-O 2.91Å; D153-K156 PolarHBondContact N-O 2.92Å; D153-K156 PolarHBondContact OD1-N 3.32Å; D153-K156 VanDerWaalsContact OD2-CD 3.29Å; D153-K156 WeakPolarHBondContact OD2-CD 3.5Å; D153-K156 WeakPolarHBondContact OD2-CG 3.47Å; D153-K156 IonicContact OD2-NZ 4Å
157E97Very high97.6Very high111 Ų11170.3 Ų70.352%0.51938%0.381SS..EExtended strand (participates in β ladder)trans-125.2158.3177.8-62.7-174.1138.100110.9N149 A150N149-E157 HydrophobicContact CB-CB 4.26Å; A150-E157 CarbonylContact O-C 3.52Å; A150-E157 VanDerWaalsContact O-CA 3.26Å; A150-E157 WeakPolarHBondContact O-CA 3.3Å
158V96.7Very high97.6Very high71 Ų7170.9 Ų70.943%0.4338%0.382SS..EExtended strand (participates in β ladder)trans-137.1137.9169.365.80000109.6N149 A150 L152 T160N149-V158 CarbonylContact C-O 3.33Å; N149-V158 WeakPolarHBondContact CA-O 3.27Å; A150-V158 HydrophobicContact CB-CG1 4.2Å; A150-V158 PolarHBondContact N-O 3.04Å; A150-V158 PolarHBondContact O-N 3.15Å; L152-V158 HydrophobicContact CD1-CB 4.24Å; L152-V158 HydrophobicContact CD1-CG1 4.2Å; L152-V158 HydrophobicContact CD2-CG1 3.8Å; L152-V158 HydrophobicContact CG-CB 4.5Å; L152-V158 HydrophobicContact CG-CG1 4.03Å; V158-T160 PolarHBondContact O-N 3.15Å
159N97.7Very high97.6Very high29 Ų2971.6 Ų71.616%0.15539%0.387CS..EExtended strand (participates in β ladder)trans-67.2134.1171.7-169.2-66.6000109.1Y146 Q148 G161Y146-N159 WeakPolarHBondContact CB-OD1 3.48Å; Y146-N159 PolarHBondContact O-ND2 2.96Å; Q148-N159 WeakPolarHBondContact O-CA 3.5Å; N159-G161 PolarHBondContact O-N 2.91Å; N159-G161 VanDerWaalsContact O-N 3.15Å; N159-G161 PolarHBondContact OD1-N 3.38Å
160T97.9Very high97.7Very high44 Ų4471.1 Ų71.127%0.2738%0.384SS..  trans-71.3-8.4-177.562.50000114Q148 A150 V158 T162 L164Q148-T160 HydrophobicContact CB-CG2 4.48Å; Q148-T160 PolarHBondContact O-N 2.79Å; A150-T160 HydrophobicContact CB-CG2 3.92Å; V158-T160 PolarHBondContact O-N 3.15Å; T160-T162 PolarHBondContact O-N 3.44Å; T160-T162 VanDerWaalsContact O-N 3.07Å; T160-T162 PolarHBondContact O-OG1 3.18Å; T160-L164 VanDerWaalsContact CB-O 3.25Å; T160-L164 WeakPolarHBondContact CB-O 3.23Å; T160-L164 WeakPolarHBondContact CG2-O 3.29Å; T160-L164 PolarHBondContact OG1-O 3.3Å
161G97.5Very high97.7Very high33 Ų3373 Ų7334%0.3438%0.384SS..SBendtrans68.36176.500000114.7Y146 N159Y146-G161 VanDerWaalsContact CD2-C 3.47Å; Y146-G161 VanDerWaalsContact CD2-O 3.23Å; Y146-G161 WeakPolarHBondContact CD2-O 3.4Å; Y146-G161 WeakPolarHBondContact CE2-O 3.21Å; Y146-G161 VanDerWaalsContact CZ-O 3.32Å; N159-G161 PolarHBondContact O-N 2.91Å; N159-G161 VanDerWaalsContact O-N 3.15Å; N159-G161 PolarHBondContact OD1-N 3.38Å
162T98.4Very high97.7Very high29 Ų2974.2 Ų74.218%0.17839%0.394CS..SBendtrans-141.2-6.8-170.957.50000113.2Y136 I140 T160 L164Y136-T162 HydrophobicContact CD2-CG2 3.89Å; Y136-T162 HydrophobicContact CE2-CG2 3.52Å; I140-T162 HydrophobicContact CD1-CG2 4.47Å; T160-T162 PolarHBondContact O-N 3.44Å; T160-T162 VanDerWaalsContact O-N 3.07Å; T160-T162 PolarHBondContact O-OG1 3.18Å; T162-L164 PolarHBondContact O-N 3.27Å; T162-L164 PolarHBondContact OG1-N 3.11Å
163N98.8Very high97.7Very high0 Ų071.1 Ų71.10%038%0.38CS..  trans62.611.6-169.1-153.556.7000115.5G109 Y139 R145 Y146 S147 Q148G109-N163 PolarHBondContact O-ND2 3.31Å; Y139-N163 HydrophobicContact CD1-CB 3.33Å; Y139-N163 HydrophobicContact CE1-CB 3.56Å; Y139-N163 WeakPolarHBondContact CE1-ND2 3.46Å; Y139-N163 HydrophobicContact CG-CB 3.84Å; Y139-N163 PolarHBondContact OH-ND2 2.72Å; R145-N163 PolarHBondContact O-OD1 3.34Å; Y146-N163 HydrophobicContact CD1-CB 4.26Å; S147-N163 WeakPolarHBondContact CA-OD1 3.3Å; S147-N163 WeakPolarHBondContact CB-OD1 3.44Å; S147-N163 PolarHBondContact N-OD1 2.97Å; Q148-N163 WeakPolarHBondContact CG-O 3.29Å; Q148-N163 PolarHBondContact NE2-OD1 3.07Å
164L98.7Very high97.6Very high37 Ų3774.5 Ų74.519%0.19440%0.398CS..PPolyproline II helixtrans-85160.8166.6-68.3-174000111V135 Y136 Q148 T160 T162 A166V135-L164 HydrophobicContact CB-CD2 4.11Å; V135-L164 HydrophobicContact CG1-CD2 3.74Å; Y136-L164 HydrophobicContact CD2-CD1 4.23Å; Q148-L164 WeakPolarHBondContact CB-O 3.49Å; T160-L164 VanDerWaalsContact CB-O 3.25Å; T160-L164 WeakPolarHBondContact CB-O 3.23Å; T160-L164 WeakPolarHBondContact CG2-O 3.29Å; T160-L164 PolarHBondContact OG1-O 3.3Å; T162-L164 PolarHBondContact O-N 3.27Å; T162-L164 PolarHBondContact OG1-N 3.11Å; L164-A166 HydrophobicContact CD2-CB 4.25Å
165P98.8Very high97.6Very high96 Ų9668 Ų6862%0.62337%0.372SS*.PPolyproline II helixcis-70.9148.6-2.231.1-35.6000112.8
166A98.7Very high97.7Very high15 Ų1560.3 Ų60.312%0.12435%0.345CS..PPolyproline II helixtrans-77.5151.1162.200000109.5A111 V135 L164 I168A111-A166 HydrophobicContact CB-CB 3.98Å; A111-A166 CarbonylContact O-C 3.27Å; A111-A166 WeakPolarHBondContact O-CA 3.47Å; V135-A166 HydrophobicContact CG1-CB 4.49Å; V135-A166 HydrophobicContact CG2-CB 4.22Å; L164-A166 HydrophobicContact CD2-CB 4.25Å; A166-I168 HydrophobicContact CB-CD1 4.25Å; A166-I168 HydrophobicContact CB-CG1 3.98Å
167Q98.8Very high97.9Very high94 Ų9456 Ų5644%0.43933%0.327SS..EExtended strand (participates in β ladder)trans-82.7115.4164.6-179.7-176.5-37.900108.1A111 I112 I113 D169A111-Q167 PolarHBondContact O-N 2.89Å; I112-Q167 CarbonylContact C-O 3.46Å; I112-Q167 VanDerWaalsContact CA-O 3.31Å; I112-Q167 WeakPolarHBondContact CA-O 3.44Å; I112-Q167 HydrophobicContact CB-CB 4.43Å; I112-Q167 HydrophobicContact CG1-CB 4.13Å; I112-Q167 HydrophobicContact CG2-CB 4.24Å; I112-Q167 HydrophobicContact CG2-CG 4.3Å; I113-Q167 PolarHBondContact N-O 3.17Å; Q167-D169 PolarHBondContact NE2-OD2 2.98Å
168I98.8Very high98Very high32 Ų3250.8 Ų50.816%0.16430%0.303CS..EExtended strand (participates in β ladder)trans-121.5113.6-178.4-56.2177.9000108.8I113 E128 L131 S132 A166 L170I113-I168 HydrophobicContact CB-CG1 4.48Å; I113-I168 HydrophobicContact CD1-CG1 4.35Å; E128-I168 HydrophobicContact CB-CD1 4.22Å; E128-I168 HydrophobicContact CB-CG2 4.49Å; E128-I168 HydrophobicContact CG-CB 4.46Å; E128-I168 HydrophobicContact CG-CG2 4.04Å; E128-I168 VanDerWaalsContact O-CD1 3.25Å; E128-I168 WeakPolarHBondContact O-CD1 3.32Å; L131-I168 HydrophobicContact CB-CD1 3.95Å; L131-I168 HydrophobicContact CD1-CG2 3.9Å; S132-I168 VanDerWaalsContact OG-CD1 3.26Å; S132-I168 WeakPolarHBondContact OG-CD1 3.39Å; A166-I168 HydrophobicContact CB-CD1 4.25Å; A166-I168 HydrophobicContact CB-CG1 3.98Å; I168-L170 HydrophobicContact CG2-CD1 4.29Å; I168-L170 HydrophobicContact CG2-CD2 3.66Å; I168-L170 HydrophobicContact CG2-CG 3.81Å
169D98.7Very high98.1Very high50 Ų5052.4 Ų52.427%0.26730%0.304SS..EExtended strand (participates in β ladder)trans-114.5102.5178.9-67.1-62.6000109.6I113 V114 G115 Q167 Y171I113-D169 PolarHBondContact O-N 3.41Å; V114-D169 WeakPolarHBondContact CA-O 3.32Å; G115-D169 PolarHBondContact N-O 3.17Å; Q167-D169 PolarHBondContact NE2-OD2 2.98Å; D169-Y171 HydrophobicContact CB-CE2 3.59Å; D169-Y171 WeakPolarHBondContact O-CE2 3.48Å
170L98.6Very high98.1Very high50 Ų5051.3 Ų51.326%0.26230%0.298SS..EExtended strand (participates in β ladder)trans-102.2121.9-179.5-52.2-177.8000111G115 D127 E128 L131 I168G115-L170 CarbonylContact O-C 3.47Å; G115-L170 WeakPolarHBondContact O-CA 3.33Å; D127-L170 HydrophobicContact CB-CD1 3.45Å; D127-L170 VanDerWaalsContact CB-CD1 3.45Å; E128-L170 HydrophobicContact CG-CD1 3.96Å; L131-L170 HydrophobicContact CD1-CD2 3.89Å; I168-L170 HydrophobicContact CG2-CD1 4.29Å; I168-L170 HydrophobicContact CG2-CD2 3.66Å; I168-L170 HydrophobicContact CG2-CG 3.81Å
171Y98.2Very high98.2Very high77 Ų7749.3 Ų49.330%0.30229%0.285SS..EExtended strand (participates in β ladder)trans-109.7135.6-179.5-61.1-86.5000110.4V114 G115 K116 K117 D169 K243V114-Y171 HydrophobicContact CG1-CD2 4.21Å; V114-Y171 HydrophobicContact CG1-CE2 4Å; G115-Y171 WeakPolarHBondContact O-CD2 3.24Å; G115-Y171 PolarHBondContact O-N 3.28Å; K116-Y171 CarbonylContact C-O 3.47Å; K116-Y171 WeakPolarHBondContact CA-O 3.35Å; K117-Y171 PolarHBondContact N-O 3.31Å; D169-Y171 HydrophobicContact CB-CE2 3.59Å; D169-Y171 WeakPolarHBondContact O-CE2 3.48Å; Y171-K243 WeakPolarHBondContact OH-CE 3.45Å; Y171-K243 PolarHBondContact OH-NZ 2.89Å
172A98.2Very high98.2Very high100 Ų10047.8 Ų47.883%0.82627%0.269SS*.EExtended strand (participates in β ladder)trans-76.5131.1167.100000110
173V97.3Very high98.3Very high55 Ų5546.9 Ų46.933%0.33326%0.264SS..EExtended strand (participates in β ladder)trans-138.5166.7175.4-61.70000109.9K116 K117 G118 Q119K116-V173 HydrophobicContact CB-CG1 4.06Å; K116-V173 HydrophobicContact CB-CG2 4Å; K116-V173 HydrophobicContact CD-CG1 4.37Å; K116-V173 HydrophobicContact CG-CG1 4.31Å; K117-V173 WeakPolarHBondContact O-CG2 3.36Å; K117-V173 PolarHBondContact O-N 2.78Å; G118-V173 CarbonylContact C-O 3.59Å; G118-V173 VanDerWaalsContact CA-O 3.25Å; G118-V173 WeakPolarHBondContact CA-O 3.42Å; Q119-V173 PolarHBondContact N-O 3.19Å
174D95.6Very high98.3Very high139 Ų13947 Ų4774%0.74326%0.264SS*.SBendtrans-74.9160.1172.8-57.8-39.6000111.6
175G96.4Very high98.3Very high24 Ų2445.7 Ų45.725%0.24726%0.257CS..SBendtrans106.6-175.1173.700000115G118 Q119 R120G118-G175 CarbonylContact C-O 3.6Å; G118-G175 VanDerWaalsContact C-O 3.31Å; G118-G175 VanDerWaalsContact CA-O 3.28Å; G118-G175 WeakPolarHBondContact CA-O 3.31Å; Q119-G175 PolarHBondContact N-O 3.09Å; R120-G175 PolarHBondContact N-O 3.04Å
176D96.6Very high98.2Very high44 Ų4441.3 Ų41.324%0.23523%0.23CC..SBendtrans-118.125.7-173.665.1-30.9000112.8L40 R120 R330L40-D176 WeakPolarHBondContact CD2-O 3.33Å; R120-D176 HydrophobicContact CB-CB 4.26Å; D176-R330 IonicContact OD2-CZ 3.9Å; D176-R330 IonicContact OD2-NE 3.43Å; D176-R330 IonicContact OD2-NH2 2.76Å; D176-R330 PolarHBondContact OD2-NH2 2.89Å
177E98.4Very high98.1Very high46 Ų4641.9 Ų41.922%0.21524%0.237CC..  trans-125.5149.4174.6-61.7-167.2134.900111.1G118 K179 I328 N329G118-E177 WeakPolarHBondContact CA-O 3.39Å; G118-E177 PolarHBondContact N-O 3.47Å; E177-K179 HydrophobicContact CB-CG 4.47Å; E177-K179 WeakPolarHBondContact OE2-CE 3.41Å; E177-K179 IonicContact OE2-NZ 3.66Å; E177-K179 PolarHBondContact OE2-NZ 3.34Å; E177-I328 WeakPolarHBondContact CA-O 3.27Å; E177-N329 HydrophobicContact CG-CB 3.77Å; E177-N329 WeakPolarHBondContact OE1-CB 3.25Å; E177-N329 PolarHBondContact OE1-ND2 3.2Å
178Y98.7Very high97.9Very high1 Ų137.8 Ų37.80%0.00422%0.22CC..EExtended strand (participates in β ladder)trans-108.6112.6169.1-153.9161.4000109L47 K116 K117 V121 T123 D127 F180 K327 I328L47-Y178 HydrophobicContact CD2-CD1 4.1Å; L47-Y178 HydrophobicContact CD2-CE1 3.96Å; K116-Y178 WeakPolarHBondContact O-CD2 3.32Å; K117-Y178 HydrophobicContact CB-CD1 4.48Å; K117-Y178 HydrophobicContact CB-CD2 3.91Å; K117-Y178 HydrophobicContact CB-CE1 4.19Å; K117-Y178 HydrophobicContact CB-CE2 3.57Å; K117-Y178 HydrophobicContact CB-CG 4.34Å; K117-Y178 HydrophobicContact CD-CE1 3.93Å; K117-Y178 HydrophobicContact CG-CD1 4.07Å; K117-Y178 HydrophobicContact CG-CD2 4.34Å; K117-Y178 HydrophobicContact CG-CE1 3.89Å; K117-Y178 HydrophobicContact CG-CE2 4.17Å; K117-Y178 HydrophobicContact CG-CG 4.28Å; V121-Y178 HydrophobicContact CG1-CD1 4.03Å; V121-Y178 HydrophobicContact CG1-CG 4.45Å; T123-Y178 HydrophobicContact CG2-CD1 4.17Å; T123-Y178 HydrophobicContact CG2-CE1 3.95Å; D127-Y178 VanDerWaalsContact OD2-CE1 3.28Å; D127-Y178 WeakPolarHBondContact OD2-CE1 3.42Å; D127-Y178 PolarHBondContact OD2-OH 3.45Å; Y178-F180 HydrophobicContact CD1-CE2 4.14Å; Y178-F180 AromaticContact CD1-CZ 3.57Å; Y178-F180 HydrophobicContact CD1-CZ 3.57Å; Y178-F180 HydrophobicContact CD2-CD2 4.38Å; Y178-F180 AromaticContact CD2-CE1 3.74Å; Y178-F180 HydrophobicContact CD2-CE1 3.74Å; Y178-F180 AromaticContact CD2-CE2 3.58Å; Y178-F180 HydrophobicContact CD2-CE2 3.58Å; Y178-F180 AromaticContact CD2-CZ 3.21Å; Y178-F180 HydrophobicContact CD2-CZ 3.21Å; Y178-F180 HydrophobicContact CE1-CE1 4.28Å; Y178-F180 AromaticContact CE1-CZ 3.7Å; Y178-F180 HydrophobicContact CE1-CZ 3.7Å; Y178-F180 HydrophobicContact CE2-CD1 4.36Å; Y178-F180 AromaticContact CE2-CE1 3.46Å; Y178-F180 HydrophobicContact CE2-CE1 3.46Å; Y178-F180 VanDerWaalsContact CE2-CE1 3.46Å; Y178-F180 HydrophobicContact CE2-CE2 4.19Å; Y178-F180 AromaticContact CE2-CZ 3.37Å; Y178-F180 HydrophobicContact CE2-CZ 3.37Å; Y178-F180 HydrophobicContact CG-CE1 4.3Å; Y178-F180 AromaticContact CG-CE2 3.58Å; Y178-F180 HydrophobicContact CG-CE2 3.58Å; Y178-F180 AromaticContact CG-CZ 3.35Å; Y178-F180 HydrophobicContact CG-CZ 3.35Å; Y178-F180 AromaticContact CZ-CE1 3.77Å; Y178-F180 AromaticContact CZ-CZ 3.62Å; Y178-F180 WeakPolarHBondContact O-CE2 3.43Å; Y178-K327 CarbonylContact O-C 3.31Å; Y178-K327 WeakPolarHBondContact O-CA 3.31Å; Y178-I328 PolarHBondContact N-O 2.84Å; Y178-I328 PolarHBondContact O-N 2.88Å
179K98.7Very high97.9Very high105 Ų10536.4 Ų36.446%0.45721%0.213SC..EExtended strand (participates in β ladder)trans-106.7142.5-175-62175.1-177.1179.30111.1G115 K116 E177 K327G115-K179 CarbonylContact C-O 3.47Å; G115-K179 WeakPolarHBondContact CA-O 3.27Å; K116-K179 HydrophobicContact CB-CB 4.43Å; K116-K179 PolarHBondContact N-O 3.11Å; K116-K179 PolarHBondContact O-N 2.94Å; E177-K179 HydrophobicContact CB-CG 4.47Å; E177-K179 WeakPolarHBondContact OE2-CE 3.41Å; E177-K179 IonicContact OE2-NZ 3.66Å; E177-K179 PolarHBondContact OE2-NZ 3.34Å; K179-K327 HydrophobicContact CG-CB 4.27Å
180F98.9Very high97.8Very high7 Ų735.6 Ų35.63%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-133.4144.3-176.5-56.7-92.3000111.2L47 L50 I113 V114 L131 Y178 K325 A326 I328L47-F180 HydrophobicContact CD2-CE1 4.39Å; L47-F180 HydrophobicContact CD2-CE2 4.45Å; L47-F180 HydrophobicContact CD2-CZ 3.66Å; L50-F180 HydrophobicContact CD1-CD2 3.56Å; L50-F180 HydrophobicContact CD1-CE2 3.66Å; L50-F180 HydrophobicContact CD1-CG 4.36Å; L50-F180 HydrophobicContact CD2-CB 4.42Å; L50-F180 HydrophobicContact CD2-CD2 4.14Å; L50-F180 HydrophobicContact CD2-CG 4.13Å; I113-F180 HydrophobicContact CG2-CD1 3.91Å; V114-F180 CarbonylContact O-C 3.58Å; V114-F180 VanDerWaalsContact O-CA 3.3Å; V114-F180 WeakPolarHBondContact O-CA 3.27Å; L131-F180 HydrophobicContact CD1-CE1 4.26Å; L131-F180 HydrophobicContact CD2-CE1 4.09Å; Y178-F180 HydrophobicContact CD1-CE2 4.14Å; Y178-F180 AromaticContact CD1-CZ 3.57Å; Y178-F180 HydrophobicContact CD1-CZ 3.57Å; Y178-F180 HydrophobicContact CD2-CD2 4.38Å; Y178-F180 AromaticContact CD2-CE1 3.74Å; Y178-F180 HydrophobicContact CD2-CE1 3.74Å; Y178-F180 AromaticContact CD2-CE2 3.58Å; Y178-F180 HydrophobicContact CD2-CE2 3.58Å; Y178-F180 AromaticContact CD2-CZ 3.21Å; Y178-F180 HydrophobicContact CD2-CZ 3.21Å; Y178-F180 HydrophobicContact CE1-CE1 4.28Å; Y178-F180 AromaticContact CE1-CZ 3.7Å; Y178-F180 HydrophobicContact CE1-CZ 3.7Å; Y178-F180 HydrophobicContact CE2-CD1 4.36Å; Y178-F180 AromaticContact CE2-CE1 3.46Å; Y178-F180 HydrophobicContact CE2-CE1 3.46Å; Y178-F180 VanDerWaalsContact CE2-CE1 3.46Å; Y178-F180 HydrophobicContact CE2-CE2 4.19Å; Y178-F180 AromaticContact CE2-CZ 3.37Å; Y178-F180 HydrophobicContact CE2-CZ 3.37Å; Y178-F180 HydrophobicContact CG-CE1 4.3Å; Y178-F180 AromaticContact CG-CE2 3.58Å; Y178-F180 HydrophobicContact CG-CE2 3.58Å; Y178-F180 AromaticContact CG-CZ 3.35Å; Y178-F180 HydrophobicContact CG-CZ 3.35Å; Y178-F180 AromaticContact CZ-CE1 3.77Å; Y178-F180 AromaticContact CZ-CZ 3.62Å; Y178-F180 WeakPolarHBondContact O-CE2 3.43Å; F180-K325 WeakPolarHBondContact O-CA 3.28Å; F180-A326 HydrophobicContact CB-CB 4.21Å; F180-A326 PolarHBondContact N-O 3.35Å; F180-A326 PolarHBondContact O-N 3.23Å; F180-I328 HydrophobicContact CE2-CD1 4.14Å; F180-I328 HydrophobicContact CE2-CG1 4.18Å
181L98.8Very high97.8Very high1 Ų137.9 Ų37.91%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-117.8115.4156.2177.773000107.4V114 V183 L247 A250 Y252 N323 K325V114-L181 HydrophobicContact CB-CB 4.42Å; V114-L181 PolarHBondContact N-O 3.47Å; V114-L181 PolarHBondContact O-N 3.23Å; L181-V183 HydrophobicContact CD2-CG2 3.94Å; L181-V183 HydrophobicContact CG-CG2 3.84Å; L181-L247 HydrophobicContact CD2-CD2 3.55Å; L181-A250 HydrophobicContact CD2-CB 4.27Å; L181-Y252 HydrophobicContact CB-CD2 4.32Å; L181-Y252 HydrophobicContact CB-CE2 4.38Å; L181-Y252 HydrophobicContact CD1-CD2 4.48Å; L181-Y252 HydrophobicContact CD2-CD2 3.88Å; L181-Y252 HydrophobicContact CD2-CG 4.33Å; L181-Y252 HydrophobicContact CG-CD2 4.46Å; L181-N323 HydrophobicContact CD1-CB 4.34Å; L181-K325 HydrophobicContact CD1-CG 4.11Å
182C98.9Very high97.8Very high1 Ų135.6 Ų35.61%0.00722%0.218CC..EExtended strand (participates in β ladder)trans-97.6132.7173.5-62.30000108.7A54 F55 I112 N323 I324A54-C182 HydrophobicContact CB-CB 4.04Å; F55-C182 HydrophobicContact CE2-CB 4.19Å; F55-C182 HydrophobicContact CZ-CB 4.07Å; I112-C182 CarbonylContact O-C 3.51Å; I112-C182 WeakPolarHBondContact O-CA 3.47Å; C182-N323 CarbonylContact O-C 3.52Å; C182-N323 VanDerWaalsContact O-CA 3.27Å; C182-N323 WeakPolarHBondContact O-CA 3.4Å; C182-I324 HydrophobicContact CB-CG2 3.79Å; C182-I324 PolarHBondContact N-O 2.89Å; C182-I324 PolarHBondContact O-N 3.22Å
183V98.9Very high97.8Very high11 Ų1132.6 Ų32.67%0.06719%0.19CC..EExtended strand (participates in β ladder)trans-133.4126-177.4-172.10000109.6I112 L181 K185 N323I112-V183 HydrophobicContact CB-CB 4.24Å; I112-V183 PolarHBondContact N-O 3.41Å; I112-V183 PolarHBondContact O-N 2.67Å; L181-V183 HydrophobicContact CD2-CG2 3.94Å; L181-V183 HydrophobicContact CG-CG2 3.84Å; V183-K185 HydrophobicContact CG1-CB 4.12Å; V183-K185 HydrophobicContact CG1-CD 4.25Å; V183-K185 PolarHBondContact O-N 2.94Å; V183-N323 HydrophobicContact CB-CB 4.41Å; V183-N323 HydrophobicContact CG1-CB 4.23Å; V183-N323 HydrophobicContact CG2-CB 3.96Å
184A98.7Very high97.8Very high1 Ų133.1 Ų33.11%0.00819%0.186CC..EExtended strand (participates in β ladder)trans-97.977.5173.100000109.7F55 G186 R322F55-A184 HydrophobicContact CD1-CB 4.35Å; F55-A184 HydrophobicContact CE1-CB 4.45Å; A184-G186 PolarHBondContact O-N 2.92Å; A184-R322 HydrophobicContact CB-CB 3.89Å; A184-R322 PolarHBondContact N-O 2.93Å; A184-R322 PolarHBondContact O-NE 3.44Å; A184-R322 VanDerWaalsContact O-NE 3.12Å; A184-R322 PolarHBondContact O-NH2 3.06Å
185K98.6Very high98Very high10 Ų1029.5 Ų29.54%0.04317%0.166CC..EExtended strand (participates in β ladder)trans-81.7112.8-166.5-164.568.6177.4175.60111.5G109 T110 I112 V183 S189 A190 K246 V316G109-K185 CarbonylContact C-O 3.28Å; G109-K185 WeakPolarHBondContact CA-O 3.4Å; T110-K185 PolarHBondContact N-O 2.92Å; T110-K185 PolarHBondContact O-N 3.13Å; I112-K185 HydrophobicContact CD1-CB 3.81Å; V183-K185 HydrophobicContact CG1-CB 4.12Å; V183-K185 HydrophobicContact CG1-CD 4.25Å; V183-K185 PolarHBondContact O-N 2.94Å; K185-S189 WeakPolarHBondContact CE-OG 3.41Å; K185-A190 HydrophobicContact CG-CB 4.31Å; K185-K246 HydrophobicContact CD-CD 4.39Å; K185-V316 PolarHBondContact NZ-O 3.14Å
186G97.6Very high98.1Very high5 Ų530.3 Ų30.35%0.05216%0.162CC..  trans-66.8137.8175.500000112.2D107 A184 G188 S189 A190D107-G186 VanDerWaalsContact OD2-CA 3.27Å; D107-G186 WeakPolarHBondContact OD2-CA 3.31Å; A184-G186 PolarHBondContact O-N 2.92Å; G186-G188 VanDerWaalsContact C-N 3.26Å; G186-G188 PolarHBondContact O-N 3.15Å; G186-S189 PolarHBondContact O-N 2.81Å; G186-S189 PolarHBondContact O-OG 2.9Å; G186-A190 PolarHBondContact O-N 3.12Å
187G96.1Very high98.2Very high26 Ų2634.4 Ų34.427%0.26818%0.18SC..Hα-helixtrans-59-35.5-175.200000112.9D107 S189 A190 N191D107-G187 PolarHBondContact OD2-N 3.42Å; G187-S189 VanDerWaalsContact C-N 3.33Å; G187-S189 PolarHBondContact O-N 2.82Å; G187-A190 PolarHBondContact O-N 3.26Å; G187-N191 WeakPolarHBondContact O-CB 3.48Å; G187-N191 PolarHBondContact O-N 2.95Å; G187-N191 PolarHBondContact O-OD1 3.47Å
188G95.4Very high98.2Very high9 Ų934.9 Ų34.99%0.09318%0.182CC..Hα-helixtrans-60-40175.700000113.5G186 K192G186-G188 VanDerWaalsContact C-N 3.26Å; G186-G188 PolarHBondContact O-N 3.15Å; G188-K192 WeakPolarHBondContact O-CG 3.4Å
189S97.7Very high98.2Very high2 Ų238.7 Ų38.71%0.01421%0.206CC..Hα-helixtrans-78.9-32.717669.90000112.3K185 G186 G187 N191 K192K185-S189 WeakPolarHBondContact CE-OG 3.41Å; G186-S189 PolarHBondContact O-N 2.81Å; G186-S189 PolarHBondContact O-OG 2.9Å; G187-S189 VanDerWaalsContact C-N 3.33Å; G187-S189 PolarHBondContact O-N 2.82Å; S189-N191 VanDerWaalsContact C-N 3.33Å; S189-N191 PolarHBondContact O-N 3.44Å; S189-K192 PolarHBondContact O-N 2.93Å; S189-K192 VanDerWaalsContact O-N 3.15Å
190A98.2Very high98.2Very high34 Ų3439.6 Ų39.628%0.28121%0.209SC..Hα-helixtrans-60.9-43.4173.600000111.1K185 G186 G187 K192 T193K185-A190 HydrophobicContact CG-CB 4.31Å; G186-A190 PolarHBondContact O-N 3.12Å; G187-A190 PolarHBondContact O-N 3.26Å; A190-K192 PolarHBondContact O-N 3.34Å; A190-K192 VanDerWaalsContact O-N 3.12Å; A190-T193 WeakPolarHBondContact O-CB 3.41Å; A190-T193 PolarHBondContact O-N 2.91Å; A190-T193 PolarHBondContact O-OG1 3.28Å
191N97.6Very high98.1Very high97 Ų9742.2 Ų42.252%0.51923%0.233SC..THydrogen-bonded Turntrans-67.4-9.2177-65.8-1.5000114G187 S189G187-N191 WeakPolarHBondContact O-CB 3.48Å; G187-N191 PolarHBondContact O-N 2.95Å; G187-N191 PolarHBondContact O-OD1 3.47Å; S189-N191 VanDerWaalsContact C-N 3.33Å; S189-N191 PolarHBondContact O-N 3.44Å
192K98.1Very high98.1Very high29 Ų2942.9 Ų42.913%0.12624%0.236CC..THydrogen-bonded Turntrans-101.825.1172.9-64.7-55.3-174.11630112.6G188 S189 A190 Y194 L219 A223 G315 V316G188-K192 WeakPolarHBondContact O-CG 3.4Å; S189-K192 PolarHBondContact O-N 2.93Å; S189-K192 VanDerWaalsContact O-N 3.15Å; A190-K192 PolarHBondContact O-N 3.34Å; A190-K192 VanDerWaalsContact O-N 3.12Å; K192-Y194 HydrophobicContact CB-CE2 4.46Å; K192-Y194 HydrophobicContact CD-CE2 3.96Å; K192-Y194 WeakPolarHBondContact CD-OH 3.24Å; K192-Y194 PolarHBondContact NZ-OH 3.08Å; K192-L219 HydrophobicContact CB-CD2 3.97Å; K192-L219 WeakPolarHBondContact CE-O 3.27Å; K192-L219 PolarHBondContact NZ-O 3.37Å; K192-A223 HydrophobicContact CB-CB 4.29Å; K192-A223 HydrophobicContact CG-CB 3.66Å; K192-G315 WeakPolarHBondContact O-CA 3.25Å; K192-V316 HydrophobicContact CB-CG2 3.97Å
193T98.6Very high98.1Very high38 Ų3844.1 Ų44.123%0.23324%0.243CC..  trans-98.8117.8167.3-48.70000108.5A190 L242 V245 M314A190-T193 WeakPolarHBondContact O-CB 3.41Å; A190-T193 PolarHBondContact O-N 2.91Å; A190-T193 PolarHBondContact O-OG1 3.28Å; T193-L242 HydrophobicContact CG2-CD2 3.99Å; T193-V245 HydrophobicContact CG2-CG1 4.37Å; T193-M314 CarbonylContact C-O 3.47Å; T193-M314 WeakPolarHBondContact CA-O 3.23Å
194Y98.6Very high98Very high66 Ų6646.7 Ų46.726%0.25926%0.258SS..EExtended strand (participates in β ladder)trans-121.8146.2-175.5-59.7-69.2000111.4K192 Y196 L219 G313 M314K192-Y194 HydrophobicContact CB-CE2 4.46Å; K192-Y194 HydrophobicContact CD-CE2 3.96Å; K192-Y194 WeakPolarHBondContact CD-OH 3.24Å; K192-Y194 PolarHBondContact NZ-OH 3.08Å; Y194-Y196 VanDerWaalsContact CB-OH 3.3Å; Y194-Y196 WeakPolarHBondContact CB-OH 3.43Å; Y194-L219 HydrophobicContact CD2-CD2 4.47Å; Y194-L219 HydrophobicContact CE2-CD2 4.13Å; Y194-G313 WeakPolarHBondContact O-CA 3.48Å; Y194-M314 HydrophobicContact CD2-CE 3.42Å; Y194-M314 VanDerWaalsContact CD2-CE 3.42Å; Y194-M314 HydrophobicContact CE2-CE 4Å; Y194-M314 HydrophobicContact CG-CE 4.39Å; Y194-M314 PolarHBondContact N-O 2.82Å; Y194-M314 PolarHBondContact O-N 2.96Å
195L98.8Very high97.5Very high62 Ų6252.3 Ų52.333%0.32530%0.295SS..EExtended strand (participates in β ladder)trans-117.2132172.5178.966.6000109.4A238 L242 P311L195-A238 HydrophobicContact CD2-CB 3.61Å; L195-L242 HydrophobicContact CB-CD1 4.17Å; L195-L242 HydrophobicContact CB-CD2 4.02Å; L195-L242 HydrophobicContact CB-CG 4.35Å; L195-L242 HydrophobicContact CD1-CD2 4.32Å; L195-L242 HydrophobicContact CD1-CG 4.37Å; L195-P311 HydrophobicContact CD1-CB 4.11Å
196Y98.7Very high97.1Very high42 Ų4253.9 Ų53.917%0.16531%0.314CS..EExtended strand (participates in β ladder)trans-122.2130174.5-49.4-75.2000109.1Y194 E198 F211 K215 V312 M314Y194-Y196 VanDerWaalsContact CB-OH 3.3Å; Y194-Y196 WeakPolarHBondContact CB-OH 3.43Å; Y196-E198 PolarHBondContact O-N 3.44Å; Y196-F211 HydrophobicContact CD2-CE1 4.43Å; Y196-F211 HydrophobicContact CD2-CZ 4.19Å; Y196-F211 AromaticContact CG-CZ 3.97Å; Y196-F211 HydrophobicContact CG-CZ 3.97Å; Y196-K215 HydrophobicContact CD2-CG 4.43Å; Y196-K215 HydrophobicContact CE1-CD 4.15Å; Y196-K215 HydrophobicContact CE1-CG 4.35Å; Y196-K215 HydrophobicContact CE2-CB 4.1Å; Y196-K215 HydrophobicContact CE2-CG 4Å; Y196-V312 PolarHBondContact N-O 3.12Å; Y196-V312 PolarHBondContact O-N 2.83Å; Y196-M314 HydrophobicContact CE2-CB 4.16Å; Y196-M314 HydrophobicContact CE2-CE 4.44Å; Y196-M314 WeakPolarHBondContact OH-CE 3.23Å
197Q98.7Very high97.1Very high129 Ų12959.8 Ų59.860%0.60334%0.338SS*.EExtended strand (participates in β ladder)trans-94.896.8177.8-68.3-706.900109.2
198E98.6Very high97.2Very high57 Ų5759.6 Ų59.627%0.26633%0.331SS..EExtended strand (participates in β ladder)trans-107-179.7-175-62.8-64.715400111.3Y196 L202 F211 C310 V312Y196-E198 PolarHBondContact O-N 3.44Å; E198-L202 HydrophobicContact CB-CB 4.41Å; E198-L202 HydrophobicContact CB-CD2 3.67Å; E198-L202 HydrophobicContact CG-CD2 3.63Å; E198-F211 HydrophobicContact CG-CE1 4.4Å; E198-F211 HydrophobicContact CG-CE2 4.18Å; E198-F211 HydrophobicContact CG-CZ 3.82Å; E198-F211 WeakPolarHBondContact OE1-CE2 3.49Å; E198-F211 WeakPolarHBondContact OE1-CZ 3.18Å; E198-C310 CarbonylContact C-O 3.54Å; E198-C310 WeakPolarHBondContact CA-O 3.27Å; E198-C310 WeakPolarHBondContact CB-O 3.28Å; E198-C310 PolarHBondContact N-O 3.13Å; E198-C310 VanDerWaalsContact N-O 3.09Å; E198-C310 WeakPolarHBondContact O-CB 3.39Å; E198-C310 PolarHBondContact O-N 3.05Å; E198-V312 HydrophobicContact CB-CG2 4.16Å; E198-V312 HydrophobicContact CG-CB 4.49Å; E198-V312 HydrophobicContact CG-CG2 4.08Å
199T98.5Very high97.4Very high81 Ų8161.4 Ų61.450%0.49734%0.336SS..  trans-126.3173.4-178.873.10000111.9A201 L202T199-A201 PolarHBondContact O-N 3.45Å; T199-A201 WeakPolarHBondContact OG1-CB 3.47Å; T199-A201 PolarHBondContact OG1-N 2.9Å; T199-L202 WeakPolarHBondContact O-CB 3.36Å; T199-L202 PolarHBondContact O-N 3.34Å; T199-L202 VanDerWaalsContact O-N 3.07Å
200K98.3Very high97.3Very high123 Ų12366.5 Ų66.554%0.53536%0.363SS..G310 helixtrans-55.1-24.9172.6174.457-175164.80112.8L202 L203K200-L202 PolarHBondContact O-N 2.9Å; K200-L203 HydrophobicContact CD-CB 4.16Å; K200-L203 HydrophobicContact CD-CD1 4.07Å; K200-L203 PolarHBondContact O-N 3.3Å
201A98.1Very high97.4Very high63 Ų6365.9 Ų65.952%0.52135%0.354SS..G310 helixtrans-62.7-24.5178.400000113.4T199 K207T199-A201 PolarHBondContact O-N 3.45Å; T199-A201 WeakPolarHBondContact OG1-CB 3.47Å; T199-A201 PolarHBondContact OG1-N 2.9Å; A201-K207 WeakPolarHBondContact O-CD 3.38Å
202L98.3Very high97.4Very high14 Ų1461.2 Ų61.27%0.07333%0.329CS..G310 helixtrans-71.1-32.5174.5179.861.6000112.2E198 T199 K200 T204 K207 L208 F211 V312E198-L202 HydrophobicContact CB-CB 4.41Å; E198-L202 HydrophobicContact CB-CD2 3.67Å; E198-L202 HydrophobicContact CG-CD2 3.63Å; T199-L202 WeakPolarHBondContact O-CB 3.36Å; T199-L202 PolarHBondContact O-N 3.34Å; T199-L202 VanDerWaalsContact O-N 3.07Å; K200-L202 PolarHBondContact O-N 2.9Å; L202-T204 PolarHBondContact O-N 2.78Å; L202-K207 HydrophobicContact CD1-CB 4.46Å; L202-L208 HydrophobicContact CD2-CD1 4.08Å; L202-L208 HydrophobicContact CG-CD1 4.03Å; L202-L208 PolarHBondContact O-N 2.73Å; L202-F211 HydrophobicContact CD1-CB 3.53Å; L202-F211 HydrophobicContact CD1-CD1 4.25Å; L202-F211 HydrophobicContact CD1-CD2 4.2Å; L202-F211 HydrophobicContact CD1-CG 3.75Å; L202-F211 HydrophobicContact CD2-CD1 3.91Å; L202-F211 HydrophobicContact CD2-CE1 4.13Å; L202-F211 HydrophobicContact CD2-CG 4.15Å; L202-V312 HydrophobicContact CD2-CG2 4.01Å
203L98Very high97.4Very high28 Ų2860.9 Ų60.915%0.14733%0.329CS..  trans-79.163-170.7-56.8-179.6000112.7K200 I233K200-L203 HydrophobicContact CD-CB 4.16Å; K200-L203 HydrophobicContact CD-CD1 4.07Å; K200-L203 PolarHBondContact O-N 3.3Å; L203-I233 HydrophobicContact CD2-CG2 3.58Å
204T96.2Very high97.3Very high64 Ų6464.3 Ų64.339%0.39334%0.343SS..SBendtrans-132.7143166.459.90000107.8L202 G206 K207 L208L202-T204 PolarHBondContact O-N 2.78Å; T204-G206 PolarHBondContact O-N 2.77Å; T204-K207 PolarHBondContact O-N 3.09Å; T204-K207 VanDerWaalsContact O-N 3.16Å; T204-K207 WeakPolarHBondContact OG1-CB 3.43Å; T204-K207 WeakPolarHBondContact OG1-CG 3.43Å; T204-L208 PolarHBondContact O-N 2.81Å
205P88.7Confident97.3Very high120 Ų12063.1 Ų63.178%0.77934%0.339SS*.Hα-helixtrans-50.1-51-167.2-31.135.8000114.8K209P205-K209 WeakPolarHBondContact O-CB 3.13Å; P205-K209 PolarHBondContact O-N 3.14Å; P205-K209 VanDerWaalsContact O-N 3.13Å
206G91.2Very high97.3Very high43 Ų4360.1 Ų60.144%0.44332%0.323SS..Hα-helixtrans-67.7-41.9-179.400000114.1T204 N210T204-G206 PolarHBondContact O-N 2.77Å; G206-N210 VanDerWaalsContact O-CB 3.32Å; G206-N210 WeakPolarHBondContact O-CB 3.28Å; G206-N210 PolarHBondContact O-N 3.05Å; G206-N210 PolarHBondContact O-ND2 3Å; G206-N210 PolarHBondContact O-OD1 2.67Å
207K97.3Very high97.1Very high128 Ų12862.2 Ų62.256%0.55733%0.331SS*.Hα-helixtrans-68.8-43-179.4-66.7-175.2177.9-178.80111.8A201 L202 T204 F211A201-K207 WeakPolarHBondContact O-CD 3.38Å; L202-K207 HydrophobicContact CD1-CB 4.46Å; T204-K207 PolarHBondContact O-N 3.09Å; T204-K207 VanDerWaalsContact O-N 3.16Å; T204-K207 WeakPolarHBondContact OG1-CB 3.43Å; T204-K207 WeakPolarHBondContact OG1-CG 3.43Å; K207-F211 VanDerWaalsContact O-CB 3.27Å; K207-F211 WeakPolarHBondContact O-CB 3.42Å; K207-F211 PolarHBondContact O-N 3.24Å
208L98.4Very high97Very high22 Ų2259.4 Ų59.412%0.11532%0.323CS..Hα-helixtrans-62.5-52.1179.1178.760.8000110.2L202 T204 N210 F211 L212 I233 L272L202-L208 HydrophobicContact CD2-CD1 4.08Å; L202-L208 HydrophobicContact CG-CD1 4.03Å; L202-L208 PolarHBondContact O-N 2.73Å; T204-L208 PolarHBondContact O-N 2.81Å; L208-N210 PolarHBondContact O-N 3.35Å; L208-F211 WeakPolarHBondContact O-CB 3.36Å; L208-F211 PolarHBondContact O-N 2.96Å; L208-L212 HydrophobicContact CD1-CD1 3.96Å; L208-L212 HydrophobicContact CD1-CD2 4.29Å; L208-L212 HydrophobicContact CD1-CG 3.99Å; L208-L212 HydrophobicContact CG-CD1 3.98Å; L208-L212 HydrophobicContact CG-CG 4.36Å; L208-L212 VanDerWaalsContact O-CG 3.28Å; L208-L212 WeakPolarHBondContact O-CG 3.42Å; L208-L212 PolarHBondContact O-N 2.92Å; L208-I233 HydrophobicContact CD1-CG1 4.18Å; L208-L272 HydrophobicContact CD2-CD2 3.98Å; L208-L272 HydrophobicContact CG-CD2 4.45Å
209K98.2Very high96.9Very high47 Ų4756.7 Ų56.720%0.20431%0.31CS..Hα-helixtrans-56.2-51.5179-178177.7-175.5162.30111.8P205 F211 L212 V213 E275P205-K209 WeakPolarHBondContact O-CB 3.13Å; P205-K209 PolarHBondContact O-N 3.14Å; P205-K209 VanDerWaalsContact O-N 3.13Å; K209-F211 VanDerWaalsContact C-N 3.31Å; K209-F211 PolarHBondContact O-N 3.38Å; K209-L212 PolarHBondContact O-N 3.45Å; K209-L212 VanDerWaalsContact O-N 3.15Å; K209-V213 HydrophobicContact CG-CG2 4.42Å; K209-V213 WeakPolarHBondContact O-CG2 3.21Å; K209-V213 PolarHBondContact O-N 2.93Å; K209-E275 WeakPolarHBondContact CD-OE2 3.27Å; K209-E275 IonicContact NZ-OE2 3.58Å; K209-E275 PolarHBondContact NZ-OE2 3.27Å
210N97.5Very high96.8Very high110 Ų11053 Ų5359%0.58829%0.288SS*.Hα-helixtrans-59.4-42.7-178.9-70.3-3.8000112.1G206 L208 V213 E214G206-N210 VanDerWaalsContact O-CB 3.32Å; G206-N210 WeakPolarHBondContact O-CB 3.28Å; G206-N210 PolarHBondContact O-N 3.05Å; G206-N210 PolarHBondContact O-ND2 3Å; G206-N210 PolarHBondContact O-OD1 2.67Å; L208-N210 PolarHBondContact O-N 3.35Å; N210-V213 PolarHBondContact O-N 3.27Å; N210-E214 WeakPolarHBondContact O-CB 3.45Å; N210-E214 PolarHBondContact O-N 2.92Å
211F98.6Very high96.8Very high20 Ų2047.2 Ų47.29%0.08826%0.263CS..Hα-helixtrans-60.3-48.3175.1173.7-90.8000111.9Y196 E198 L202 K207 L208 K209 V213 E214 K215 V312Y196-F211 HydrophobicContact CD2-CE1 4.43Å; Y196-F211 HydrophobicContact CD2-CZ 4.19Å; Y196-F211 AromaticContact CG-CZ 3.97Å; Y196-F211 HydrophobicContact CG-CZ 3.97Å; E198-F211 HydrophobicContact CG-CE1 4.4Å; E198-F211 HydrophobicContact CG-CE2 4.18Å; E198-F211 HydrophobicContact CG-CZ 3.82Å; E198-F211 WeakPolarHBondContact OE1-CE2 3.49Å; E198-F211 WeakPolarHBondContact OE1-CZ 3.18Å; L202-F211 HydrophobicContact CD1-CB 3.53Å; L202-F211 HydrophobicContact CD1-CD1 4.25Å; L202-F211 HydrophobicContact CD1-CD2 4.2Å; L202-F211 HydrophobicContact CD1-CG 3.75Å; L202-F211 HydrophobicContact CD2-CD1 3.91Å; L202-F211 HydrophobicContact CD2-CE1 4.13Å; L202-F211 HydrophobicContact CD2-CG 4.15Å; K207-F211 VanDerWaalsContact O-CB 3.27Å; K207-F211 WeakPolarHBondContact O-CB 3.42Å; K207-F211 PolarHBondContact O-N 3.24Å; L208-F211 WeakPolarHBondContact O-CB 3.36Å; L208-F211 PolarHBondContact O-N 2.96Å; K209-F211 VanDerWaalsContact C-N 3.31Å; K209-F211 PolarHBondContact O-N 3.38Å; F211-V213 VanDerWaalsContact C-N 3.33Å; F211-V213 PolarHBondContact O-N 2.76Å; F211-E214 PolarHBondContact O-N 3.17Å; F211-K215 HydrophobicContact CD1-CG 4.2Å; F211-K215 HydrophobicContact CD2-CG 4.39Å; F211-K215 HydrophobicContact CE1-CG 3.79Å; F211-K215 HydrophobicContact CE2-CD 4.26Å; F211-K215 HydrophobicContact CE2-CG 4.03Å; F211-K215 HydrophobicContact CG-CG 4.47Å; F211-K215 HydrophobicContact CZ-CD 4.32Å; F211-K215 HydrophobicContact CZ-CG 3.7Å; F211-K215 WeakPolarHBondContact O-CG 3.45Å; F211-K215 PolarHBondContact O-N 3.01Å; F211-V312 HydrophobicContact CE1-CB 4.4Å; F211-V312 HydrophobicContact CE1-CG1 4.03Å
212L98.6Very high96.7Very high0 Ų044.4 Ų44.40%024%0.24CC..Hα-helixtrans-63.2-39.9-179.1-63.6178000111.4L208 K209 K215 M216 F231 I233 L272 L276 V312L208-L212 HydrophobicContact CD1-CD1 3.96Å; L208-L212 HydrophobicContact CD1-CD2 4.29Å; L208-L212 HydrophobicContact CD1-CG 3.99Å; L208-L212 HydrophobicContact CG-CD1 3.98Å; L208-L212 HydrophobicContact CG-CG 4.36Å; L208-L212 VanDerWaalsContact O-CG 3.28Å; L208-L212 WeakPolarHBondContact O-CG 3.42Å; L208-L212 PolarHBondContact O-N 2.92Å; K209-L212 PolarHBondContact O-N 3.45Å; K209-L212 VanDerWaalsContact O-N 3.15Å; L212-K215 PolarHBondContact O-N 3.19Å; L212-M216 WeakPolarHBondContact O-CB 3.31Å; L212-M216 PolarHBondContact O-N 3.47Å; L212-F231 HydrophobicContact CB-CE1 4.26Å; L212-F231 HydrophobicContact CB-CZ 4.27Å; L212-F231 HydrophobicContact CD2-CD1 3.56Å; L212-F231 HydrophobicContact CD2-CE1 3.8Å; L212-F231 HydrophobicContact CD2-CG 4.11Å; L212-I233 HydrophobicContact CD1-CD1 4.48Å; L212-L272 HydrophobicContact CD1-CD2 3.95Å; L212-L276 HydrophobicContact CB-CD1 4.26Å; L212-L276 HydrophobicContact CB-CD2 3.79Å; L212-L276 HydrophobicContact CD1-CD1 3.82Å; L212-L276 HydrophobicContact CD1-CD2 4.49Å; L212-V312 HydrophobicContact CD2-CG1 4.01Å
213V98Very high96.7Very high21 Ų2143.8 Ų43.813%0.12724%0.237CC..Hα-helixtrans-64.4-44.2175175.60000111.8K209 N210 F211 M216 R217 L276 E279K209-V213 HydrophobicContact CG-CG2 4.42Å; K209-V213 WeakPolarHBondContact O-CG2 3.21Å; K209-V213 PolarHBondContact O-N 2.93Å; N210-V213 PolarHBondContact O-N 3.27Å; F211-V213 VanDerWaalsContact C-N 3.33Å; F211-V213 PolarHBondContact O-N 2.76Å; V213-M216 WeakPolarHBondContact O-CB 3.48Å; V213-M216 PolarHBondContact O-N 3.04Å; V213-R217 PolarHBondContact O-N 2.94Å; V213-L276 HydrophobicContact CG2-CD2 3.79Å; V213-E279 HydrophobicContact CG1-CB 4.26Å; V213-E279 HydrophobicContact CG2-CB 3.64Å; V213-E279 HydrophobicContact CG2-CG 3.78Å
214E97.3Very high96.7Very high111 Ų11142.9 Ų42.952%0.51923%0.233SC..Hα-helixtrans-59.2-47.9175.4-172.8-158.512700110.9N210 F211 R217N210-E214 WeakPolarHBondContact O-CB 3.45Å; N210-E214 PolarHBondContact O-N 2.92Å; F211-E214 PolarHBondContact O-N 3.17Å; E214-R217 WeakPolarHBondContact O-CB 3.32Å; E214-R217 PolarHBondContact O-N 2.81Å
215K98Very high96.8Very high40 Ų4039.8 Ų39.817%0.17421%0.214CC..Hα-helixtrans-67.9-40.5179.8-61-37.9175-1640111.8Y196 F211 L212 R217 T218 M314Y196-K215 HydrophobicContact CD2-CG 4.43Å; Y196-K215 HydrophobicContact CE1-CD 4.15Å; Y196-K215 HydrophobicContact CE1-CG 4.35Å; Y196-K215 HydrophobicContact CE2-CB 4.1Å; Y196-K215 HydrophobicContact CE2-CG 4Å; F211-K215 HydrophobicContact CD1-CG 4.2Å; F211-K215 HydrophobicContact CD2-CG 4.39Å; F211-K215 HydrophobicContact CE1-CG 3.79Å; F211-K215 HydrophobicContact CE2-CD 4.26Å; F211-K215 HydrophobicContact CE2-CG 4.03Å; F211-K215 HydrophobicContact CG-CG 4.47Å; F211-K215 HydrophobicContact CZ-CD 4.32Å; F211-K215 HydrophobicContact CZ-CG 3.7Å; F211-K215 WeakPolarHBondContact O-CG 3.45Å; F211-K215 PolarHBondContact O-N 3.01Å; L212-K215 PolarHBondContact O-N 3.19Å; K215-R217 PolarHBondContact O-N 3.26Å; K215-T218 WeakPolarHBondContact O-CB 3.39Å; K215-T218 PolarHBondContact O-N 2.98Å; K215-T218 PolarHBondContact O-OG1 3.21Å; K215-M314 HydrophobicContact CB-CE 4.26Å; K215-M314 HydrophobicContact CB-SD 4.16Å; K215-M314 VanDerWaalsContact O-CE 3.31Å; K215-M314 WeakPolarHBondContact O-CE 3.38Å
216M98.1Very high97.2Very high0 Ų034.1 Ų34.10%018%0.177CC..Hα-helixtrans-52.1-42.3174.9-174.7164.45800112L212 V213 T218 L219 I229 F231 E279 A280 L283 F294 I298L212-M216 WeakPolarHBondContact O-CB 3.31Å; L212-M216 PolarHBondContact O-N 3.47Å; V213-M216 WeakPolarHBondContact O-CB 3.48Å; V213-M216 PolarHBondContact O-N 3.04Å; M216-T218 PolarHBondContact O-N 3.34Å; M216-L219 HydrophobicContact CG-CD1 4.27Å; M216-L219 VanDerWaalsContact O-CB 3.25Å; M216-L219 WeakPolarHBondContact O-CB 3.46Å; M216-L219 WeakPolarHBondContact O-CD1 3.48Å; M216-L219 WeakPolarHBondContact O-CG 3.41Å; M216-L219 PolarHBondContact O-N 2.77Å; M216-L219 VanDerWaalsContact O-N 3.14Å; M216-I229 HydrophobicContact CG-CD1 3.85Å; M216-I229 HydrophobicContact SD-CD1 3.66Å; M216-F231 HydrophobicContact CB-CZ 4.04Å; M216-E279 HydrophobicContact CE-CB 4.37Å; M216-A280 HydrophobicContact CE-CB 3.74Å; M216-A280 HydrophobicContact SD-CB 3.77Å; M216-L283 HydrophobicContact CE-CD1 3.99Å; M216-L283 HydrophobicContact CE-CG 4.5Å; M216-L283 HydrophobicContact CG-CD1 4.11Å; M216-F294 HydrophobicContact CG-CD1 4.48Å; M216-F294 HydrophobicContact CG-CE1 3.89Å; M216-I298 HydrophobicContact SD-CD1 3.94Å
217R95.6Very high97.6Very high85 Ų8532.1 Ų32.132%0.32116%0.156SC..Hα-helixtrans-59.8-30.8177.3-170.7-179.7-68.6-877112.8V213 E214 K215 L219 G220 L283 Q542V213-R217 PolarHBondContact O-N 2.94Å; E214-R217 WeakPolarHBondContact O-CB 3.32Å; E214-R217 PolarHBondContact O-N 2.81Å; K215-R217 PolarHBondContact O-N 3.26Å; R217-L219 PolarHBondContact O-N 3.19Å; R217-G220 PolarHBondContact O-N 3.07Å; R217-L283 HydrophobicContact CB-CD2 4.38Å; R217-L283 VanDerWaalsContact CZ-CD2 3.44Å; R217-L283 VanDerWaalsContact NH2-CD2 3.28Å; R217-Q542 VanDerWaalsContact CZ-OE1 3.32Å
218T95.8Very high97.7Very high70 Ų7026 Ų2643%0.42913%0.13SC..Hα-helixtrans-72.2-14.9-179.3760000113.7K215 M216 G220K215-T218 WeakPolarHBondContact O-CB 3.39Å; K215-T218 PolarHBondContact O-N 2.98Å; K215-T218 PolarHBondContact O-OG1 3.21Å; M216-T218 PolarHBondContact O-N 3.34Å; T218-G220 PolarHBondContact O-N 3.47Å
219L97.4Very high97.7Very high0 Ų025 Ų250%012%0.124CC..THydrogen-bonded Turntrans-56.1-42.5169.3-68.1168.5000110.5K192 Y194 M216 R217 Y227 I229 F294 M314 V316K192-L219 HydrophobicContact CB-CD2 3.97Å; K192-L219 WeakPolarHBondContact CE-O 3.27Å; K192-L219 PolarHBondContact NZ-O 3.37Å; Y194-L219 HydrophobicContact CD2-CD2 4.47Å; Y194-L219 HydrophobicContact CE2-CD2 4.13Å; M216-L219 HydrophobicContact CG-CD1 4.27Å; M216-L219 VanDerWaalsContact O-CB 3.25Å; M216-L219 WeakPolarHBondContact O-CB 3.46Å; M216-L219 WeakPolarHBondContact O-CD1 3.48Å; M216-L219 WeakPolarHBondContact O-CG 3.41Å; M216-L219 PolarHBondContact O-N 2.77Å; M216-L219 VanDerWaalsContact O-N 3.14Å; R217-L219 PolarHBondContact O-N 3.19Å; L219-Y227 HydrophobicContact CB-CE2 4.28Å; L219-I229 HydrophobicContact CD1-CD1 4Å; L219-I229 HydrophobicContact CD1-CG1 4.39Å; L219-I229 HydrophobicContact CD1-CG2 4.38Å; L219-F294 HydrophobicContact CB-CZ 4.04Å; L219-F294 HydrophobicContact CD1-CE1 4.36Å; L219-M314 HydrophobicContact CD1-CE 4.45Å; L219-M314 HydrophobicContact CD1-SD 4.08Å; L219-M314 HydrophobicContact CD2-CE 3.74Å; L219-M314 HydrophobicContact CD2-SD 4.31Å; L219-M314 HydrophobicContact CG-CE 3.76Å; L219-M314 HydrophobicContact CG-SD 4.04Å; L219-V316 HydrophobicContact CD1-CG1 3.65Å; L219-V316 HydrophobicContact CD2-CG1 3.73Å; L219-V316 HydrophobicContact CG-CG1 4.32Å
220G96.2Very high97.7Very high3 Ų322.8 Ų22.83%0.03112%0.115CC..THydrogen-bonded Turntrans57.9-156.6-173.700000112.1R217 T218 Y227 F294 N465R217-G220 PolarHBondContact O-N 3.07Å; T218-G220 PolarHBondContact O-N 3.47Å; G220-Y227 VanDerWaalsContact O-CE2 3.3Å; G220-Y227 WeakPolarHBondContact O-CE2 3.46Å; G220-Y227 PolarHBondContact O-OH 3.2Å; G220-F294 WeakPolarHBondContact O-CE2 3.35Å; G220-N465 WeakPolarHBondContact CA-OD1 3.43Å
221T97.2Very high97.8Very high2 Ų217.6 Ų17.61%0.0129%0.087CC..THydrogen-bonded Turntrans-102.14.8-177.256.40000113.1A223 C224 P225 L285 G464 N465 F535T221-A223 VanDerWaalsContact C-N 3.27Å; T221-A223 PolarHBondContact O-N 3.21Å; T221-C224 PolarHBondContact O-N 3.41Å; T221-P225 HydrophobicContact CG2-CG 4.19Å; T221-P225 WeakPolarHBondContact O-CD 3.48Å; T221-L285 HydrophobicContact CG2-CB 4.4Å; T221-G464 WeakPolarHBondContact OG1-CA 3.44Å; T221-N465 PolarHBondContact N-OD1 3.46Å; T221-N465 PolarHBondContact OG1-N 3.3Å; T221-N465 VanDerWaalsContact OG1-N 3.12Å; T221-F535 HydrophobicContact CG2-CD1 4.42Å; T221-F535 HydrophobicContact CG2-CE1 3.6Å; T221-F535 HydrophobicContact CG2-CZ 4.08Å; T221-F535 WeakPolarHBondContact OG1-CZ 3.29Å
222A96.4Very high97.8Very high4 Ų416.7 Ų16.73%0.0338%0.083CC..THydrogen-bonded Turntrans-63.2-21.7-174.300000115.6T440 K463A222-T440 HydrophobicContact CB-CG2 3.5Å; A222-T440 PolarHBondContact O-OG1 3.4Å; A222-K463 WeakPolarHBondContact O-CE 3.49Å; A222-K463 PolarHBondContact O-NZ 3.01Å
223A97.4Very high97.8Very high1 Ų116.8 Ų16.81%0.0088%0.083CC..THydrogen-bonded Turntrans-106.620-178.400000113.9K192 T221 Y227 V316 C318K192-A223 HydrophobicContact CB-CB 4.29Å; K192-A223 HydrophobicContact CG-CB 3.66Å; T221-A223 VanDerWaalsContact C-N 3.27Å; T221-A223 PolarHBondContact O-N 3.21Å; A223-Y227 HydrophobicContact CB-CE1 3.56Å; A223-Y227 PolarHBondContact N-OH 2.8Å; A223-Y227 VanDerWaalsContact N-OH 3.12Å; A223-Y227 WeakPolarHBondContact O-CE1 3.28Å; A223-V316 HydrophobicContact CB-CG2 4.1Å; A223-C318 WeakPolarHBondContact O-CB 3.45Å
224C98Very high97.9Very high9 Ų915.8 Ų15.86%0.0618%0.077CC..  trans60.676.2-178.8-45.40000112.6T221 S319 K463 G486T221-C224 PolarHBondContact O-N 3.41Å; C224-S319 PolarHBondContact O-N 3.31Å; C224-S319 VanDerWaalsContact O-N 3.14Å; C224-S319 PolarHBondContact O-OG 2.94Å; C224-K463 WeakPolarHBondContact SG-CD 3.46Å; C224-K463 PolarHBondContact SG-NZ 3.18Å; C224-G486 WeakPolarHBondContact CB-O 3.3Å; C224-G486 VanDerWaalsContact SG-CA 3.58Å; C224-G486 PolarHBondContact SG-O 3.09Å
225P98.3Very high97.9Very high0 Ų010.6 Ų10.60%05%0.054CC..SBendtrans-65.2161.616427.7-34.2000111.6T221 Y227 Q288 F294T221-P225 HydrophobicContact CG2-CG 4.19Å; T221-P225 WeakPolarHBondContact O-CD 3.48Å; P225-Y227 HydrophobicContact CB-CD1 4.29Å; P225-Y227 HydrophobicContact CB-CD2 3.87Å; P225-Y227 HydrophobicContact CB-CE1 4.14Å; P225-Y227 HydrophobicContact CB-CE2 3.73Å; P225-Y227 HydrophobicContact CB-CG 4.16Å; P225-Y227 WeakPolarHBondContact CD-OH 2.88Å; P225-Y227 HydrophobicContact CG-CE2 4.17Å; P225-Q288 HydrophobicContact CG-CB 4.49Å; P225-Q288 HydrophobicContact CG-CG 3.74Å; P225-Q288 PolarHBondContact O-NE2 2.82Å; P225-F294 HydrophobicContact CB-CD2 4.35Å; P225-F294 WeakPolarHBondContact CB-O 3.47Å
226P98.6Very high97.9Very high1 Ų113.8 Ų13.81%0.0068%0.077CC..SBendcis-71.9141.27.2-11.925.5000113.4I73 A287 Y293 F294 H296I73-P226 HydrophobicContact CD1-CG 3.76Å; P226-A287 HydrophobicContact CG-CB 3.86Å; P226-Y293 VanDerWaalsContact CB-O 3.28Å; P226-Y293 WeakPolarHBondContact CB-O 3.29Å; P226-Y293 WeakPolarHBondContact CG-O 3.09Å; P226-F294 WeakPolarHBondContact CA-O 3.49Å; P226-H296 PolarHBondContact O-CD2 2.75Å
227Y98.7Very high97.9Very high0 Ų015.1 Ų15.10%09%0.086CC..EExtended strand (participates in β ladder)trans-95148.6-174.6-62.5-54000113.5L219 G220 A223 P225 I229 F294 A295 H296 V316 S317L219-Y227 HydrophobicContact CB-CE2 4.28Å; G220-Y227 VanDerWaalsContact O-CE2 3.3Å; G220-Y227 WeakPolarHBondContact O-CE2 3.46Å; G220-Y227 PolarHBondContact O-OH 3.2Å; A223-Y227 HydrophobicContact CB-CE1 3.56Å; A223-Y227 PolarHBondContact N-OH 2.8Å; A223-Y227 VanDerWaalsContact N-OH 3.12Å; A223-Y227 WeakPolarHBondContact O-CE1 3.28Å; P225-Y227 HydrophobicContact CB-CD1 4.29Å; P225-Y227 HydrophobicContact CB-CD2 3.87Å; P225-Y227 HydrophobicContact CB-CE1 4.14Å; P225-Y227 HydrophobicContact CB-CE2 3.73Å; P225-Y227 HydrophobicContact CB-CG 4.16Å; P225-Y227 WeakPolarHBondContact CD-OH 2.88Å; P225-Y227 HydrophobicContact CG-CE2 4.17Å; Y227-I229 HydrophobicContact CD2-CD1 4.5Å; Y227-I229 HydrophobicContact CG-CG1 4.46Å; Y227-F294 HydrophobicContact CD2-CD1 4.44Å; Y227-F294 HydrophobicContact CD2-CD2 4.44Å; Y227-F294 HydrophobicContact CD2-CE1 4.05Å; Y227-F294 HydrophobicContact CD2-CE2 4.06Å; Y227-F294 AromaticContact CD2-CZ 3.86Å; Y227-F294 HydrophobicContact CD2-CZ 3.86Å; Y227-F294 WeakPolarHBondContact CD2-O 3.48Å; Y227-F294 HydrophobicContact CE2-CD2 4.28Å; Y227-F294 HydrophobicContact CE2-CE1 4.22Å; Y227-F294 AromaticContact CE2-CE2 3.58Å; Y227-F294 HydrophobicContact CE2-CE2 3.58Å; Y227-F294 AromaticContact CE2-CZ 3.55Å; Y227-F294 HydrophobicContact CE2-CZ 3.55Å; Y227-F294 PolarHBondContact N-O 2.97Å; Y227-A295 CarbonylContact O-C 3.57Å; Y227-A295 VanDerWaalsContact O-CA 3.27Å; Y227-A295 WeakPolarHBondContact O-CA 3.42Å; Y227-H296 PolarHBondContact O-N 3.43Å; Y227-V316 HydrophobicContact CD1-CB 3.86Å; Y227-V316 HydrophobicContact CD1-CG1 4.08Å; Y227-V316 HydrophobicContact CD1-CG2 3.93Å; Y227-V316 HydrophobicContact CD2-CG1 4.28Å; Y227-V316 HydrophobicContact CE1-CB 4.49Å; Y227-V316 HydrophobicContact CE1-CG2 4.09Å; Y227-V316 HydrophobicContact CG-CB 4.09Å; Y227-V316 HydrophobicContact CG-CG1 3.88Å; Y227-S317 WeakPolarHBondContact CA-O 3.33Å
228H98.9Very high98.1Very high1 Ų112.5 Ų12.51%0.0058%0.083CC..EExtended strand (participates in β ladder)trans-89101.9150.7-59.7-73.1000107.8H66 Q69 H251 H296 D297 V316 S317 D321H66-H228 AromaticContact CE1-NE2 3.75Å; H66-H228 AromaticContact CG-NE2 3.92Å; H66-H228 AromaticContact ND1-CD2 3.9Å; H66-H228 AromaticContact ND1-CE1 3.82Å; H66-H228 AromaticContact ND1-NE2 2.89Å; H66-H228 PolarHBondContact ND1-NE2 3.07Å; Q69-H228 PolarHBondContact OE1-CE1 2.94Å; Q69-H228 VanDerWaalsContact OE1-CE1 3.25Å; H228-H251 AromaticContact CE1-CE1 3.88Å; H228-H251 AromaticContact CG-NE2 3.85Å; H228-H251 AromaticContact ND1-CE1 3.47Å; H228-H251 PolarHBondContact ND1-CE1 3.09Å; H228-H251 AromaticContact ND1-NE2 3.42Å; H228-H251 PolarHBondContact ND1-NE2 2.75Å; H228-H296 AromaticContact CE1-CD2 3.93Å; H228-H296 AromaticContact NE2-CD2 3.75Å; H228-D297 IonicContact CE1-OD1 3.06Å; H228-D297 IonicContact CE1-OD2 3.7Å; H228-D297 IonicContact CG-OD1 3.74Å; H228-D297 IonicContact ND1-OD1 3.37Å; H228-D297 PolarHBondContact ND1-OD1 3.15Å; H228-D297 IonicContact ND1-OD2 3.98Å; H228-V316 CarbonylContact O-C 3.53Å; H228-V316 VanDerWaalsContact O-CA 3.25Å; H228-V316 WeakPolarHBondContact O-CA 3.48Å; H228-S317 PolarHBondContact N-O 2.92Å; H228-S317 VanDerWaalsContact N-O 3.08Å; H228-S317 PolarHBondContact O-N 3.47Å; H228-D321 IonicContact NE2-OD2 3.87Å
229I98.9Very high98.2Very high1 Ų115.2 Ų15.21%0.0059%0.091CC..EExtended strand (participates in β ladder)trans-88.7136-175.2-53.1-178000109.4M216 L219 Y227 F231 F294 A295 D297 I298 R299 V316M216-I229 HydrophobicContact CG-CD1 3.85Å; M216-I229 HydrophobicContact SD-CD1 3.66Å; L219-I229 HydrophobicContact CD1-CD1 4Å; L219-I229 HydrophobicContact CD1-CG1 4.39Å; L219-I229 HydrophobicContact CD1-CG2 4.38Å; Y227-I229 HydrophobicContact CD2-CD1 4.5Å; Y227-I229 HydrophobicContact CG-CG1 4.46Å; I229-F231 HydrophobicContact CG2-CD2 4.04Å; I229-F231 HydrophobicContact CG2-CE2 3.61Å; I229-F231 HydrophobicContact CG2-CZ 4.14Å; I229-F294 HydrophobicContact CD1-CD1 4.27Å; I229-F294 HydrophobicContact CD1-CE1 4.11Å; I229-A295 HydrophobicContact CD1-CB 3.84Å; I229-A295 HydrophobicContact CG1-CB 4.14Å; I229-D297 PolarHBondContact N-O 2.81Å; I229-I298 HydrophobicContact CB-CG1 4.13Å; I229-I298 HydrophobicContact CB-CG2 4.48Å; I229-I298 HydrophobicContact CD1-CD1 4.45Å; I229-I298 CarbonylContact O-C 3.58Å; I229-I298 VanDerWaalsContact O-CA 3.27Å; I229-I298 WeakPolarHBondContact O-CA 3.26Å; I229-R299 PolarHBondContact O-N 3.24Å; I229-V316 HydrophobicContact CG1-CG1 4.1Å
230A98.9Very high98.2Very high0 Ų017.3 Ų17.30%010%0.103CC..EExtended strand (participates in β ladder)trans-120.7129.6172.600000111V245 A248 R299 M314 G315A230-V245 HydrophobicContact CB-CG1 4.29Å; A230-A248 HydrophobicContact CB-CB 3.8Å; A230-R299 CarbonylContact C-O 3.59Å; A230-R299 WeakPolarHBondContact CA-O 3.46Å; A230-M314 CarbonylContact O-C 3.5Å; A230-M314 VanDerWaalsContact O-CA 3.32Å; A230-M314 WeakPolarHBondContact O-CA 3.33Å; A230-G315 PolarHBondContact N-O 3.12Å; A230-G315 PolarHBondContact O-N 3.22Å
231F98.9Very high98.3Very high1 Ų117.1 Ų17.10%0.00410%0.102CC..EExtended strand (participates in β ladder)trans-114138.2167.9-71.5-75.4000110.3L212 M216 I229 I233 L276 I298 R299 V300 I301 G313 M314L212-F231 HydrophobicContact CB-CE1 4.26Å; L212-F231 HydrophobicContact CB-CZ 4.27Å; L212-F231 HydrophobicContact CD2-CD1 3.56Å; L212-F231 HydrophobicContact CD2-CE1 3.8Å; L212-F231 HydrophobicContact CD2-CG 4.11Å; M216-F231 HydrophobicContact CB-CZ 4.04Å; I229-F231 HydrophobicContact CG2-CD2 4.04Å; I229-F231 HydrophobicContact CG2-CE2 3.61Å; I229-F231 HydrophobicContact CG2-CZ 4.14Å; F231-I233 HydrophobicContact CB-CD1 4.21Å; F231-L276 HydrophobicContact CD2-CD1 3.84Å; F231-L276 HydrophobicContact CE2-CD1 4.03Å; F231-I298 HydrophobicContact CD2-CG2 4.03Å; F231-I298 HydrophobicContact CE2-CG2 4.44Å; F231-R299 PolarHBondContact N-O 3.29Å; F231-V300 HydrophobicContact CB-CG2 4.34Å; F231-V300 WeakPolarHBondContact O-CA 3.2Å; F231-I301 PolarHBondContact O-N 2.78Å; F231-G313 CarbonylContact C-O 3.58Å; F231-G313 WeakPolarHBondContact CA-O 3.44Å; F231-M314 HydrophobicContact CD1-CB 3.81Å; F231-M314 HydrophobicContact CD1-CG 3.83Å; F231-M314 HydrophobicContact CD1-SD 4.39Å; F231-M314 HydrophobicContact CE1-CB 3.67Å; F231-M314 HydrophobicContact CE1-CG 3.33Å; F231-M314 HydrophobicContact CE1-SD 3.34Å; F231-M314 WeakPolarHBondContact CE1-SD 3.5Å; F231-M314 HydrophobicContact CZ-CG 3.83Å; F231-M314 HydrophobicContact CZ-SD 3.55Å; F231-M314 VanDerWaalsContact CZ-SD 3.55Å
232V98.9Very high98.4Very high0 Ų019.5 Ų19.50%011%0.114CC..EExtended strand (participates in β ladder)trans-127.7120.4173-178.20000109.9N241 T244 V245 I301 L303 V312 G313V232-N241 PolarHBondContact O-ND2 2.85Å; V232-T244 HydrophobicContact CG1-CG2 3.94Å; V232-T244 HydrophobicContact CG2-CG2 3.75Å; V232-V245 HydrophobicContact CB-CG2 3.71Å; V232-V245 HydrophobicContact CG2-CB 4.13Å; V232-V245 HydrophobicContact CG2-CG2 3.45Å; V232-V245 VanDerWaalsContact CG2-CG2 3.45Å; V232-I301 CarbonylContact C-O 3.47Å; V232-I301 VanDerWaalsContact CA-O 3.29Å; V232-I301 WeakPolarHBondContact CA-O 3.48Å; V232-I301 HydrophobicContact CG2-CB 4.22Å; V232-L303 HydrophobicContact CG1-CD1 3.56Å; V232-L303 HydrophobicContact CG1-CG 3.83Å; V232-V312 CarbonylContact O-C 3.58Å; V232-V312 VanDerWaalsContact O-CA 3.32Å; V232-V312 WeakPolarHBondContact O-CA 3.21Å; V232-G313 PolarHBondContact N-O 3.25Å; V232-G313 PolarHBondContact O-N 3.34Å
233I98.9Very high98.5Very high2 Ų222.9 Ų22.91%0.0113%0.128CC..EExtended strand (participates in β ladder)trans-108.2117.1-177.6-59.782.6000109L203 L208 L212 F231 V300 I301 R302 L303L203-I233 HydrophobicContact CD2-CG2 3.58Å; L208-I233 HydrophobicContact CD1-CG1 4.18Å; L212-I233 HydrophobicContact CD1-CD1 4.48Å; F231-I233 HydrophobicContact CB-CD1 4.21Å; I233-V300 HydrophobicContact CD1-CG1 3.5Å; I233-V300 VanDerWaalsContact CD1-CG1 3.5Å; I233-I301 PolarHBondContact N-O 2.73Å; I233-R302 WeakPolarHBondContact O-CD 3.36Å; I233-R302 PolarHBondContact O-NH1 3.48Å; I233-L303 PolarHBondContact O-N 2.77Å
234G98.7Very high98.6Very high0 Ų022.9 Ų22.90%013%0.128CC..EExtended strand (participates in β ladder)trans89.7-171.4-173.600000112.6N241 P311G234-N241 PolarHBondContact O-ND2 2.72Å; G234-P311 WeakPolarHBondContact CA-O 3.35Å; G234-P311 PolarHBondContact N-O 3.02Å
235G98.3Very high98.6Very high3 Ų322.5 Ų22.53%0.03113%0.125CC..EExtended strand (participates in β ladder)trans141.2152.3-172.600000110.4S237 P304G235-S237 VanDerWaalsContact C-N 3.26Å; G235-P304 CarbonylContact C-O 3.47Å; G235-P304 WeakPolarHBondContact CA-O 3.47Å; G235-P304 PolarHBondContact N-O 2.96Å
236T98.2Very high98.7Very high106 Ų10624.7 Ų24.765%0.6514%0.135SC*.SBendtrans-72.9-23.5175.346.20000112.3T240T236-T240 PolarHBondContact OG1-OG1 3.02Å
237S98.6Very high98.7Very high29 Ų2924.9 Ų24.920%0.20314%0.136CC..SBendtrans-160.6172.1178.663.70000111.1G235 E239 T240 N241G235-S237 VanDerWaalsContact C-N 3.26Å; S237-E239 WeakPolarHBondContact CB-OE1 3.45Å; S237-E239 WeakPolarHBondContact CB-OE2 3.41Å; S237-E239 PolarHBondContact OG-OE1 3.12Å; S237-E239 PolarHBondContact OG-OE2 2.96Å; S237-T240 WeakPolarHBondContact OG-CB 3.19Å; S237-T240 PolarHBondContact OG-N 3.12Å; S237-T240 PolarHBondContact OG-OG1 2.83Å; S237-N241 WeakPolarHBondContact O-CB 3.42Å; S237-N241 PolarHBondContact O-N 3Å; S237-N241 VanDerWaalsContact O-N 3.08Å
238A98.6Very high98.7Very high30 Ų3025 Ų2525%0.24814%0.136CC..Hα-helixtrans-63.7-4617900000111.7L195 N241 L242L195-A238 HydrophobicContact CD2-CB 3.61Å; A238-N241 WeakPolarHBondContact O-CB 3.36Å; A238-N241 PolarHBondContact O-N 3.28Å; A238-L242 WeakPolarHBondContact O-CG 3.21Å; A238-L242 PolarHBondContact O-N 2.85Å
239E98.2Very high98.7Very high127 Ų12725.1 Ų25.159%0.59314%0.138SC*.Hα-helixtrans-66.3-38.7179.764.6-74.7173.700112.2S237 L242 K243S237-E239 WeakPolarHBondContact CB-OE1 3.45Å; S237-E239 WeakPolarHBondContact CB-OE2 3.41Å; S237-E239 PolarHBondContact OG-OE1 3.12Å; S237-E239 PolarHBondContact OG-OE2 2.96Å; E239-L242 PolarHBondContact O-N 3.18Å; E239-K243 WeakPolarHBondContact O-CB 3.4Å; E239-K243 PolarHBondContact O-N 3.37Å
240T98.1Very high98.6Very high43 Ų4325.3 Ų25.326%0.26414%0.139SC..Hα-helixtrans-65.7-41.6173.7-57.40000111T236 S237 T244T236-T240 PolarHBondContact OG1-OG1 3.02Å; S237-T240 WeakPolarHBondContact OG-CB 3.19Å; S237-T240 PolarHBondContact OG-N 3.12Å; S237-T240 PolarHBondContact OG-OG1 2.83Å; T240-T244 WeakPolarHBondContact O-CB 3.3Å; T240-T244 PolarHBondContact O-N 2.8Å; T240-T244 PolarHBondContact O-OG1 2.92Å
241N98.8Very high98.6Very high0 Ų026.7 Ų26.70%015%0.145CC..Hα-helixtrans-60.2-53.4175.6174.7-76.6000110.8V232 G234 S237 A238 K243 T244 V245 P311 G313V232-N241 PolarHBondContact O-ND2 2.85Å; G234-N241 PolarHBondContact O-ND2 2.72Å; S237-N241 WeakPolarHBondContact O-CB 3.42Å; S237-N241 PolarHBondContact O-N 3Å; S237-N241 VanDerWaalsContact O-N 3.08Å; A238-N241 WeakPolarHBondContact O-CB 3.36Å; A238-N241 PolarHBondContact O-N 3.28Å; N241-K243 PolarHBondContact O-N 2.74Å; N241-T244 CarbonylContact O-C 3.54Å; N241-T244 WeakPolarHBondContact O-CA 3.48Å; N241-T244 WeakPolarHBondContact O-CB 3.41Å; N241-T244 PolarHBondContact O-N 3.14Å; N241-V245 WeakPolarHBondContact O-CG2 3.35Å; N241-V245 PolarHBondContact O-N 2.9Å; N241-P311 HydrophobicContact CB-CB 4.22Å; N241-P311 HydrophobicContact CB-CG 4.34Å; N241-P311 PolarHBondContact ND2-O 2.96Å; N241-G313 WeakPolarHBondContact OD1-CA 3.23Å; N241-G313 PolarHBondContact OD1-N 3.37Å
242L98.8Very high98.6Very high51 Ų5128.4 Ų28.427%0.26715%0.152SC..Hα-helixtrans-67-35.8-177.8-68.8-175.5000113.3T193 L195 A238 E239 T244 V245 K246T193-L242 HydrophobicContact CG2-CD2 3.99Å; L195-L242 HydrophobicContact CB-CD1 4.17Å; L195-L242 HydrophobicContact CB-CD2 4.02Å; L195-L242 HydrophobicContact CB-CG 4.35Å; L195-L242 HydrophobicContact CD1-CD2 4.32Å; L195-L242 HydrophobicContact CD1-CG 4.37Å; A238-L242 WeakPolarHBondContact O-CG 3.21Å; A238-L242 PolarHBondContact O-N 2.85Å; E239-L242 PolarHBondContact O-N 3.18Å; L242-T244 VanDerWaalsContact C-N 3.28Å; L242-T244 PolarHBondContact O-N 3.06Å; L242-V245 WeakPolarHBondContact O-CB 3.47Å; L242-V245 PolarHBondContact O-N 2.85Å; L242-K246 PolarHBondContact O-N 2.71Å
243K98.7Very high98.6Very high75 Ų7529.1 Ų29.133%0.32616%0.155SC..Hα-helixtrans-60.4-41.4170-178.6-176.8173.3-168.80111Y171 E239 N241 V245 K246 L247Y171-K243 WeakPolarHBondContact OH-CE 3.45Å; Y171-K243 PolarHBondContact OH-NZ 2.89Å; E239-K243 WeakPolarHBondContact O-CB 3.4Å; E239-K243 PolarHBondContact O-N 3.37Å; N241-K243 PolarHBondContact O-N 2.74Å; K243-V245 VanDerWaalsContact C-N 3.34Å; K243-V245 PolarHBondContact O-N 3.41Å; K243-K246 WeakPolarHBondContact O-CB 3.27Å; K243-K246 PolarHBondContact O-N 2.95Å; K243-L247 HydrophobicContact CG-CD1 4.32Å; K243-L247 WeakPolarHBondContact O-CG 3.31Å; K243-L247 PolarHBondContact O-N 2.97Å; K243-L247 VanDerWaalsContact O-N 3.07Å
244T98.8Very high98.5Very high2 Ų230.9 Ų30.91%0.01217%0.165CC..Hα-helixtrans-64.2-40.7176.7-53.70000111F12 V232 T240 N241 L242 K246 L247 A248 Y253 I301 L303F12-T244 HydrophobicContact CE1-CG2 3.93Å; F12-T244 HydrophobicContact CZ-CG2 4.31Å; V232-T244 HydrophobicContact CG1-CG2 3.94Å; V232-T244 HydrophobicContact CG2-CG2 3.75Å; T240-T244 WeakPolarHBondContact O-CB 3.3Å; T240-T244 PolarHBondContact O-N 2.8Å; T240-T244 PolarHBondContact O-OG1 2.92Å; N241-T244 CarbonylContact O-C 3.54Å; N241-T244 WeakPolarHBondContact O-CA 3.48Å; N241-T244 WeakPolarHBondContact O-CB 3.41Å; N241-T244 PolarHBondContact O-N 3.14Å; L242-T244 VanDerWaalsContact C-N 3.28Å; L242-T244 PolarHBondContact O-N 3.06Å; T244-K246 PolarHBondContact O-N 3.19Å; T244-L247 PolarHBondContact O-N 3.34Å; T244-A248 VanDerWaalsContact O-CB 3.22Å; T244-A248 WeakPolarHBondContact O-CB 3.38Å; T244-A248 PolarHBondContact O-N 3.19Å; T244-Y253 HydrophobicContact CG2-CD2 4.14Å; T244-Y253 HydrophobicContact CG2-CE2 3.7Å; T244-I301 HydrophobicContact CG2-CB 4.32Å; T244-I301 HydrophobicContact CG2-CG2 4.07Å; T244-L303 HydrophobicContact CG2-CD1 4.13Å; T244-L303 HydrophobicContact CG2-CD2 4.4Å
245V98.9Very high98.5Very high0 Ų034.5 Ų34.50%018%0.181CC..Hα-helixtrans-58.6-47.5174.4173.70000110.6T193 A230 V232 N241 L242 K243 L247 A248 S249 G315T193-V245 HydrophobicContact CG2-CG1 4.37Å; A230-V245 HydrophobicContact CB-CG1 4.29Å; V232-V245 HydrophobicContact CB-CG2 3.71Å; V232-V245 HydrophobicContact CG2-CB 4.13Å; V232-V245 HydrophobicContact CG2-CG2 3.45Å; V232-V245 VanDerWaalsContact CG2-CG2 3.45Å; N241-V245 WeakPolarHBondContact O-CG2 3.35Å; N241-V245 PolarHBondContact O-N 2.9Å; L242-V245 WeakPolarHBondContact O-CB 3.47Å; L242-V245 PolarHBondContact O-N 2.85Å; K243-V245 VanDerWaalsContact C-N 3.34Å; K243-V245 PolarHBondContact O-N 3.41Å; V245-L247 PolarHBondContact O-N 3.25Å; V245-A248 PolarHBondContact O-N 2.75Å; V245-S249 WeakPolarHBondContact O-CB 3.43Å; V245-S249 PolarHBondContact O-N 3.4Å; V245-G315 VanDerWaalsContact CG1-N 3.3Å
246K98.7Very high98.5Very high46 Ų4634.8 Ų34.820%0.218%0.182CC..Hα-helixtrans-55.4-52.2179177.870.774-152.30111.1K185 L242 K243 T244 S249 A250K185-K246 HydrophobicContact CD-CD 4.39Å; L242-K246 PolarHBondContact O-N 2.71Å; K243-K246 WeakPolarHBondContact O-CB 3.27Å; K243-K246 PolarHBondContact O-N 2.95Å; T244-K246 PolarHBondContact O-N 3.19Å; K246-S249 PolarHBondContact O-N 2.94Å; K246-S249 PolarHBondContact O-OG 3.25Å; K246-A250 PolarHBondContact O-N 2.95Å
247L98.7Very high98.5Very high6 Ų631.5 Ų31.53%0.03116%0.163CC..Hα-helixtrans-69.1-39-177.1-66.9-179.4000112.1V114 L181 K243 T244 V245 S249 A250 H251 Y252 Y253V114-L247 HydrophobicContact CG2-CD2 4.31Å; L181-L247 HydrophobicContact CD2-CD2 3.55Å; K243-L247 HydrophobicContact CG-CD1 4.32Å; K243-L247 WeakPolarHBondContact O-CG 3.31Å; K243-L247 PolarHBondContact O-N 2.97Å; K243-L247 VanDerWaalsContact O-N 3.07Å; T244-L247 PolarHBondContact O-N 3.34Å; V245-L247 PolarHBondContact O-N 3.25Å; L247-S249 VanDerWaalsContact C-N 3.31Å; L247-S249 PolarHBondContact O-N 3.29Å; L247-A250 CarbonylContact O-C 3.55Å; L247-A250 PolarHBondContact O-N 3.28Å; L247-A250 VanDerWaalsContact O-N 3.11Å; L247-H251 PolarHBondContact O-N 3.26Å; L247-Y252 HydrophobicContact CB-CD1 4.23Å; L247-Y252 HydrophobicContact CB-CG 4.36Å; L247-Y252 HydrophobicContact CD1-CD1 4.23Å; L247-Y252 HydrophobicContact CD2-CG 4.42Å; L247-Y252 WeakPolarHBondContact O-CB 3.41Å; L247-Y252 PolarHBondContact O-N 3.02Å; L247-Y253 HydrophobicContact CB-CD2 3.89Å; L247-Y253 HydrophobicContact CB-CE2 3.42Å; L247-Y253 VanDerWaalsContact CB-CE2 3.42Å; L247-Y253 HydrophobicContact CD1-CE2 3.98Å; L247-Y253 WeakPolarHBondContact CD1-OH 3.35Å; L247-Y253 HydrophobicContact CG-CE2 4.33Å
248A98.8Very high98.5Very high1 Ų134.2 Ų34.21%0.00818%0.178CC..Hα-helixtrans-61.7-39173.700000111.9A230 T244 V245 A250 H251 Y253 R299 I301A230-A248 HydrophobicContact CB-CB 3.8Å; T244-A248 VanDerWaalsContact O-CB 3.22Å; T244-A248 WeakPolarHBondContact O-CB 3.38Å; T244-A248 PolarHBondContact O-N 3.19Å; V245-A248 PolarHBondContact O-N 2.75Å; A248-A250 PolarHBondContact O-N 3.41Å; A248-H251 PolarHBondContact O-N 2.92Å; A248-Y253 HydrophobicContact CB-CD2 4.23Å; A248-R299 HydrophobicContact CB-CB 4.43Å; A248-I301 HydrophobicContact CB-CG1 3.91Å
249S98.7Very high98.5Very high5 Ų539.6 Ų39.64%0.03520%0.198CC..Hα-helixtrans-67.1-19.717675.80000113.5V245 K246 L247 H251 S317V245-S249 WeakPolarHBondContact O-CB 3.43Å; V245-S249 PolarHBondContact O-N 3.4Å; K246-S249 PolarHBondContact O-N 2.94Å; K246-S249 PolarHBondContact O-OG 3.25Å; L247-S249 VanDerWaalsContact C-N 3.31Å; L247-S249 PolarHBondContact O-N 3.29Å; S249-H251 VanDerWaalsContact C-N 3.32Å; S249-S317 WeakPolarHBondContact O-CB 3.3Å
250A98.5Very high98.4Very high5 Ų535.1 Ų35.14%0.04119%0.187CC..THydrogen-bonded Turntrans-93.411.2173.400000112.5R63 L181 K246 L247 A248 Y252 N323R63-A250 PolarHBondContact NH1-O 3.48Å; L181-A250 HydrophobicContact CD2-CB 4.27Å; K246-A250 PolarHBondContact O-N 2.95Å; L247-A250 CarbonylContact O-C 3.55Å; L247-A250 PolarHBondContact O-N 3.28Å; L247-A250 VanDerWaalsContact O-N 3.11Å; A248-A250 PolarHBondContact O-N 3.41Å; A250-Y252 PolarHBondContact O-N 3.07Å; A250-Y252 VanDerWaalsContact O-N 3.11Å; A250-N323 HydrophobicContact CB-CB 4.22Å; A250-N323 PolarHBondContact O-OD1 3.22Å; A250-N323 VanDerWaalsContact O-OD1 3.13Å
251H98.6Very high98.4Very high28 Ų2836 Ų3613%0.1319%0.19CC..THydrogen-bonded Turntrans56.422.5-174.5-63176.8000113.9H228 L247 A248 S249 Y253 D254 D297H228-H251 AromaticContact CE1-CE1 3.88Å; H228-H251 AromaticContact CG-NE2 3.85Å; H228-H251 AromaticContact ND1-CE1 3.47Å; H228-H251 PolarHBondContact ND1-CE1 3.09Å; H228-H251 AromaticContact ND1-NE2 3.42Å; H228-H251 PolarHBondContact ND1-NE2 2.75Å; L247-H251 PolarHBondContact O-N 3.26Å; A248-H251 PolarHBondContact O-N 2.92Å; S249-H251 VanDerWaalsContact C-N 3.32Å; H251-Y253 PolarHBondContact O-N 3.06Å; H251-D254 WeakPolarHBondContact CA-OD1 3.34Å; H251-D254 WeakPolarHBondContact CB-OD1 3.44Å; H251-D254 IonicContact CG-OD1 2.76Å; H251-D254 IonicContact CG-OD2 2.75Å; H251-D254 PolarHBondContact O-N 2.84Å; H251-D297 IonicContact CE1-OD1 3.62Å; H251-D297 IonicContact CE1-OD2 2.73Å; H251-D297 PolarHBondContact CE1-OD2 2.84Å; H251-D297 IonicContact NE2-OD1 2.96Å; H251-D297 PolarHBondContact NE2-OD1 3.45Å; H251-D297 IonicContact NE2-OD2 2.78Å; H251-D297 PolarHBondContact NE2-OD2 2.79Å
252Y98.4Very high98.2Very high38 Ų3842.7 Ų42.715%0.14922%0.221CC..THydrogen-bonded Turntrans-65.1-28.7-179-175.9-96.5000112.6M14 K116 L181 L247 A250M14-Y252 WeakPolarHBondContact CE-O 3.41Å; K116-Y252 WeakPolarHBondContact CE-OH 3.38Å; K116-Y252 PolarHBondContact NZ-OH 2.92Å; L181-Y252 HydrophobicContact CB-CD2 4.32Å; L181-Y252 HydrophobicContact CB-CE2 4.38Å; L181-Y252 HydrophobicContact CD1-CD2 4.48Å; L181-Y252 HydrophobicContact CD2-CD2 3.88Å; L181-Y252 HydrophobicContact CD2-CG 4.33Å; L181-Y252 HydrophobicContact CG-CD2 4.46Å; L247-Y252 HydrophobicContact CB-CD1 4.23Å; L247-Y252 HydrophobicContact CB-CG 4.36Å; L247-Y252 HydrophobicContact CD1-CD1 4.23Å; L247-Y252 HydrophobicContact CD2-CG 4.42Å; L247-Y252 WeakPolarHBondContact O-CB 3.41Å; L247-Y252 PolarHBondContact O-N 3.02Å; A250-Y252 PolarHBondContact O-N 3.07Å; A250-Y252 VanDerWaalsContact O-N 3.11Å
253Y98.4Very high98.1Very high14 Ų1444.2 Ų44.26%0.05523%0.227CC..THydrogen-bonded Turntrans-101.315.6-174.8-71.2-54.8000114F12 M14 T244 L247 A248 H251 E255 L256F12-Y253 HydrophobicContact CB-CE1 4.19Å; F12-Y253 HydrophobicContact CD1-CD1 4.01Å; F12-Y253 AromaticContact CD1-CE1 3.37Å; F12-Y253 HydrophobicContact CD1-CE1 3.37Å; F12-Y253 HydrophobicContact CD1-CE2 4.48Å; F12-Y253 AromaticContact CD1-CZ 3.65Å; F12-Y253 AromaticContact CE1-CE1 3.89Å; F12-Y253 HydrophobicContact CE1-CE1 3.89Å; F12-Y253 HydrophobicContact CE1-CE2 4.2Å; F12-Y253 AromaticContact CE1-CZ 3.66Å; F12-Y253 AromaticContact CG-CE1 3.92Å; F12-Y253 HydrophobicContact CG-CE1 3.92Å; M14-Y253 HydrophobicContact SD-CD1 3.64Å; M14-Y253 HydrophobicContact SD-CE1 4.25Å; T244-Y253 HydrophobicContact CG2-CD2 4.14Å; T244-Y253 HydrophobicContact CG2-CE2 3.7Å; L247-Y253 HydrophobicContact CB-CD2 3.89Å; L247-Y253 HydrophobicContact CB-CE2 3.42Å; L247-Y253 VanDerWaalsContact CB-CE2 3.42Å; L247-Y253 HydrophobicContact CD1-CE2 3.98Å; L247-Y253 WeakPolarHBondContact CD1-OH 3.35Å; L247-Y253 HydrophobicContact CG-CE2 4.33Å; A248-Y253 HydrophobicContact CB-CD2 4.23Å; H251-Y253 PolarHBondContact O-N 3.06Å; Y253-E255 PolarHBondContact O-N 3.34Å; Y253-E255 VanDerWaalsContact O-N 3.15Å; Y253-L256 HydrophobicContact CD1-CD1 3.87Å; Y253-L256 HydrophobicContact CD1-CD2 4.38Å; Y253-L256 HydrophobicContact CD1-CG 4.04Å; Y253-L256 HydrophobicContact CG-CD1 3.96Å; Y253-L256 HydrophobicContact CG-CG 4.4Å; Y253-L256 WeakPolarHBondContact O-CB 3.12Å; Y253-L256 PolarHBondContact O-N 3.47Å; Y253-L256 VanDerWaalsContact O-N 3.09Å
254D98.2Very high98Very high40 Ų4041.9 Ų41.921%0.21422%0.224CC..THydrogen-bonded Turntrans-61.5-26.5-175.3-82.924.5000113.6H251 R299H251-D254 WeakPolarHBondContact CA-OD1 3.34Å; H251-D254 WeakPolarHBondContact CB-OD1 3.44Å; H251-D254 IonicContact CG-OD1 2.76Å; H251-D254 IonicContact CG-OD2 2.75Å; H251-D254 PolarHBondContact O-N 2.84Å; D254-R299 VanDerWaalsContact CG-NE 3.28Å; D254-R299 WeakPolarHBondContact OD1-CD 3.27Å; D254-R299 IonicContact OD1-CZ 3.14Å; D254-R299 IonicContact OD1-NE 3.66Å; D254-R299 PolarHBondContact OD1-NE 2.87Å; D254-R299 IonicContact OD1-NH2 2.71Å; D254-R299 IonicContact OD2-CZ 3.46Å; D254-R299 IonicContact OD2-NE 3.32Å; D254-R299 PolarHBondContact OD2-NE 2.69Å; D254-R299 IonicContact OD2-NH2 3.66Å; D254-R299 PolarHBondContact OD2-NH2 2.98Å
255E98Very high97.9Very high75 Ų7543 Ų4335%0.3523%0.229SC..THydrogen-bonded Turntrans-95.815.4-179.9-53.7-65.9168.900113.2M14 G15 K16 N18 Y253M14-E255 HydrophobicContact CE-CB 4.02Å; G15-E255 WeakPolarHBondContact CA-O 3Å; G15-E255 PolarHBondContact N-O 3.01Å; K16-E255 WeakPolarHBondContact O-CG 3.27Å; N18-E255 VanDerWaalsContact ND2-CD 3.35Å; N18-E255 PolarHBondContact ND2-OE1 3.07Å; Y253-E255 PolarHBondContact O-N 3.34Å; Y253-E255 VanDerWaalsContact O-N 3.15Å
256L98.4Very high97.9Very high9 Ų943 Ų435%0.04723%0.229CC..SBendtrans-66.9156.9168.6-78.1-179.7000111F12 M14 Y253 A266 I301F12-L256 HydrophobicContact CB-CD2 4.21Å; F12-L256 HydrophobicContact CD1-CD1 4.29Å; F12-L256 HydrophobicContact CD1-CD2 4.41Å; M14-L256 HydrophobicContact SD-CD2 3.65Å; M14-L256 HydrophobicContact SD-CG 3.91Å; Y253-L256 HydrophobicContact CD1-CD1 3.87Å; Y253-L256 HydrophobicContact CD1-CD2 4.38Å; Y253-L256 HydrophobicContact CD1-CG 4.04Å; Y253-L256 HydrophobicContact CG-CD1 3.96Å; Y253-L256 HydrophobicContact CG-CG 4.4Å; Y253-L256 WeakPolarHBondContact O-CB 3.12Å; Y253-L256 PolarHBondContact O-N 3.47Å; Y253-L256 VanDerWaalsContact O-N 3.09Å; L256-A266 HydrophobicContact CD1-CB 4.03Å; L256-I301 HydrophobicContact CD1-CD1 4.05Å; L256-I301 HydrophobicContact CD1-CG2 4.05Å
257P98.3Very high97.9Very high38 Ų3842.8 Ų42.825%0.24723%0.228CC..  trans-56.3155.2168.5-21.333.1000111.3P13 F267 R268P13-P257 HydrophobicContact CG-CG 3.81Å; P13-P257 WeakPolarHBondContact O-CD 3.41Å; P257-F267 CarbonylContact O-C 3.45Å; P257-F267 WeakPolarHBondContact O-CA 3.4Å; P257-F267 VanDerWaalsContact O-CB 3.26Å; P257-F267 WeakPolarHBondContact O-CB 3.37Å; P257-R268 PolarHBondContact O-N 3.25Å
258T98.5Very high97.9Very high86 Ų8644.7 Ų44.753%0.52824%0.235SC..SBendtrans-95.40.9178.453.80000113.8R268 V270T258-R268 VanDerWaalsContact CA-O 3.28Å; T258-R268 WeakPolarHBondContact CA-O 3.18Å; T258-V270 HydrophobicContact CG2-CG1 3.8Å; T258-V270 HydrophobicContact CG2-CG2 4.49Å
259E98Very high97.9Very high142 Ų14246.8 Ų46.866%0.66425%0.246SC*.SBendtrans-135.6148.8177.162.1-179.7-174.600111.4Q265 F267E259-Q265 PolarHBondContact O-NE2 3.36Å; E259-F267 VanDerWaalsContact C-CB 3.4Å; E259-F267 VanDerWaalsContact O-CB 3.28Å; E259-F267 WeakPolarHBondContact O-CB 3.32Å
260G97.3Very high97.9Very high34 Ų3449.9 Ų49.935%0.35126%0.264SS..  trans-80.4173.617100000111.9F267G260-F267 VanDerWaalsContact N-CD1 3.27Å
261N96.9Very high97.9Very high62 Ų6256 Ų5633%0.33229%0.292SS..  trans-140.9179.2171.968.912.3000110.9Q9 H263 G264 Q265Q9-N261 VanDerWaalsContact CD-ND2 3.34Å; Q9-N261 PolarHBondContact NE2-ND2 3.08Å; Q9-N261 PolarHBondContact OE1-ND2 3.38Å; Q9-N261 PolarHBondContact OE1-OD1 2.83Å; Q9-N261 VanDerWaalsContact OE1-OD1 3.13Å; N261-H263 PolarHBondContact O-N 3.05Å; N261-H263 PolarHBondContact OD1-N 3.01Å; N261-G264 PolarHBondContact O-N 3.26Å; N261-G264 PolarHBondContact OD1-N 3.25Å; N261-G264 VanDerWaalsContact OD1-N 3.08Å; N261-Q265 HydrophobicContact CB-CG 4.5Å; N261-Q265 PolarHBondContact ND2-OE1 3.26Å; N261-Q265 VanDerWaalsContact ND2-OE1 3.08Å; N261-Q265 PolarHBondContact OD1-N 3.32Å
262E95.3Very high97.8Very high139 Ų13955.5 Ų55.565%0.6529%0.29SS*.THydrogen-bonded Turntrans-69-12.5-178.669.5171.4141.100114.6K4K4-E262 IonicContact NZ-OE2 2.66Å; K4-E262 PolarHBondContact NZ-OE2 3.3Å
263H95.8Very high97.9Very high84 Ų8454.3 Ų54.339%0.38929%0.286SS..THydrogen-bonded Turntrans-94.6-3.6179.9-56.5-51.8000112.8I7 Q9 N261I7-H263 VanDerWaalsContact CD1-CE1 3.46Å; I7-H263 WeakPolarHBondContact CD1-CE1 3.4Å; Q9-H263 HydrophobicContact CB-CB 4.2Å; Q9-H263 VanDerWaalsContact OE1-CB 3.25Å; N261-H263 PolarHBondContact O-N 3.05Å; N261-H263 PolarHBondContact OD1-N 3.01Å
264G96.3Very high97.9Very high26 Ų2658.4 Ų58.427%0.26831%0.306SS..  trans82.730.9170.600000114.7N261 P304N261-G264 PolarHBondContact O-N 3.26Å; N261-G264 PolarHBondContact OD1-N 3.25Å; N261-G264 VanDerWaalsContact OD1-N 3.08Å; G264-P304 VanDerWaalsContact O-CD 3.29Å; G264-P304 WeakPolarHBondContact O-CD 3.41Å; G264-P304 VanDerWaalsContact O-CG 3.3Å; G264-P304 WeakPolarHBondContact O-CG 3.27Å
265Q97.8Very high97.9Very high26 Ų2659 Ų5912%0.12131%0.307CS..  trans-58144.7169.971.8-174.222.200112P13 E259 N261P13-Q265 HydrophobicContact CG-CB 3.97Å; E259-Q265 PolarHBondContact O-NE2 3.36Å; N261-Q265 HydrophobicContact CB-CG 4.5Å; N261-Q265 PolarHBondContact ND2-OE1 3.26Å; N261-Q265 VanDerWaalsContact ND2-OE1 3.08Å; N261-Q265 PolarHBondContact OD1-N 3.32Å
266A98.7Very high97.9Very high0 Ų055.4 Ų55.40%029%0.29CS..  trans-63.7143164.100000110P11 F12 L256 I301 R302 L303P11-A266 WeakPolarHBondContact O-CB 3.45Å; P11-A266 PolarHBondContact O-N 2.94Å; F12-A266 HydrophobicContact CD1-CB 3.68Å; F12-A266 HydrophobicContact CE1-CB 3.86Å; F12-A266 HydrophobicContact CG-CB 4.39Å; L256-A266 HydrophobicContact CD1-CB 4.03Å; A266-I301 HydrophobicContact CB-CG2 4.35Å; A266-R302 WeakPolarHBondContact CA-O 3.44Å; A266-L303 HydrophobicContact CB-CD2 3.43Å; A266-L303 VanDerWaalsContact CB-CD2 3.43Å
267F98.8Very high97.9Very high41 Ų4156.3 Ų56.318%0.1830%0.295CS..EExtended strand (participates in β ladder)trans-143156.3174.271.9-91.3000111.9P257 E259 G260 D269 I301 R302P257-F267 CarbonylContact O-C 3.45Å; P257-F267 WeakPolarHBondContact O-CA 3.4Å; P257-F267 VanDerWaalsContact O-CB 3.26Å; P257-F267 WeakPolarHBondContact O-CB 3.37Å; E259-F267 VanDerWaalsContact C-CB 3.4Å; E259-F267 VanDerWaalsContact O-CB 3.28Å; E259-F267 WeakPolarHBondContact O-CB 3.32Å; G260-F267 VanDerWaalsContact N-CD1 3.27Å; F267-D269 HydrophobicContact CE2-CB 4.18Å; F267-I301 WeakPolarHBondContact O-CA 3.43Å; F267-R302 HydrophobicContact CD1-CB 3.93Å; F267-R302 HydrophobicContact CD1-CG 4.25Å; F267-R302 HydrophobicContact CD2-CB 4.33Å; F267-R302 HydrophobicContact CE1-CB 3.46Å; F267-R302 VanDerWaalsContact CE1-CB 3.46Å; F267-R302 HydrophobicContact CE1-CG 3.4Å; F267-R302 VanDerWaalsContact CE1-CG 3.4Å; F267-R302 HydrophobicContact CE2-CB 3.88Å; F267-R302 HydrophobicContact CE2-CG 4.42Å; F267-R302 HydrophobicContact CG-CB 4.35Å; F267-R302 HydrophobicContact CZ-CB 3.44Å; F267-R302 VanDerWaalsContact CZ-CB 3.44Å; F267-R302 HydrophobicContact CZ-CG 3.51Å; F267-R302 PolarHBondContact N-O 2.93Å; F267-R302 PolarHBondContact O-N 2.86Å
268R98.7Very high97.9Very high45 Ų4558.1 Ų58.117%0.1730%0.3CS..EExtended strand (participates in β ladder)trans-92.3119.8176.2-173.3-179.2165.5-167.2-6.6110.1P257 T258 V270 E273 V300 I301P257-R268 PolarHBondContact O-N 3.25Å; T258-R268 VanDerWaalsContact CA-O 3.28Å; T258-R268 WeakPolarHBondContact CA-O 3.18Å; R268-V270 HydrophobicContact CG-CG1 4.27Å; R268-V270 PolarHBondContact O-N 3.23Å; R268-E273 WeakPolarHBondContact CD-OE1 3.34Å; R268-E273 WeakPolarHBondContact CG-OE1 3.42Å; R268-E273 IonicContact CZ-OE1 3.23Å; R268-E273 IonicContact CZ-OE2 3.43Å; R268-E273 IonicContact NE-OE1 3.69Å; R268-E273 PolarHBondContact NE-OE1 3.44Å; R268-E273 IonicContact NE-OE2 3.49Å; R268-E273 PolarHBondContact NE-OE2 2.94Å; R268-E273 IonicContact NH2-OE1 2.85Å; R268-E273 IonicContact NH2-OE2 3.95Å; R268-E273 PolarHBondContact NH2-OE2 3.05Å; R268-V300 CarbonylContact C-O 3.56Å; R268-V300 WeakPolarHBondContact CA-O 3.35Å; R268-I301 HydrophobicContact CB-CD1 4.14Å; R268-I301 HydrophobicContact CG-CD1 4.23Å
269D98.6Very high97.9Very high46 Ų4656.4 Ų56.425%0.24629%0.286CS..  trans-88.983.7179.8-164.5-41.4000110.5F267 Q271 L272 E273 V300F267-D269 HydrophobicContact CE2-CB 4.18Å; D269-Q271 PolarHBondContact O-N 3.42Å; D269-Q271 PolarHBondContact OD1-N 3.4Å; D269-L272 HydrophobicContact CB-CB 4.23Å; D269-L272 PolarHBondContact O-N 3.29Å; D269-L272 WeakPolarHBondContact OD1-CB 3.49Å; D269-L272 PolarHBondContact OD1-N 2.95Å; D269-E273 VanDerWaalsContact O-CG 3.31Å; D269-E273 WeakPolarHBondContact O-CG 3.45Å; D269-E273 PolarHBondContact O-N 3.37Å; D269-V300 HydrophobicContact CB-CB 4.22Å; D269-V300 HydrophobicContact CB-CG1 4.04Å; D269-V300 PolarHBondContact N-O 2.83Å
270V98.3Very high97.9Very high70 Ų7049.7 Ų49.742%0.42426%0.255SS..Hα-helixtrans-64-27.7-176.1-64.50000113.6T258 R268 Q274T258-V270 HydrophobicContact CG2-CG1 3.8Å; T258-V270 HydrophobicContact CG2-CG2 4.49Å; R268-V270 HydrophobicContact CG-CG1 4.27Å; R268-V270 PolarHBondContact O-N 3.23Å; V270-Q274 PolarHBondContact O-N 3.36Å
271Q97.8Very high97.9Very high134 Ų13451 Ų5163%0.62625%0.252SS*.Hα-helixtrans-69.6-50.8176.4-179.6-177.1-13.700110D269 E273 Q274 E275D269-Q271 PolarHBondContact O-N 3.42Å; D269-Q271 PolarHBondContact OD1-N 3.4Å; Q271-E273 VanDerWaalsContact C-N 3.28Å; Q271-E273 PolarHBondContact O-N 3.02Å; Q271-Q274 PolarHBondContact O-N 3.25Å; Q271-E275 PolarHBondContact NE2-OE1 3.27Å; Q271-E275 WeakPolarHBondContact O-CG 3.3Å; Q271-E275 PolarHBondContact O-N 2.85Å
272L98.2Very high97.8Very high17 Ų1753.8 Ų53.89%0.08926%0.261CS..Hα-helixtrans-67.2-30.8-179.6-172.554.2000112L208 L212 D269 L276 V300L208-L272 HydrophobicContact CD2-CD2 3.98Å; L208-L272 HydrophobicContact CG-CD2 4.45Å; L212-L272 HydrophobicContact CD1-CD2 3.95Å; D269-L272 HydrophobicContact CB-CB 4.23Å; D269-L272 PolarHBondContact O-N 3.29Å; D269-L272 WeakPolarHBondContact OD1-CB 3.49Å; D269-L272 PolarHBondContact OD1-N 2.95Å; L272-L276 HydrophobicContact CD1-CD1 4.21Å; L272-L276 HydrophobicContact CD1-CD2 4.48Å; L272-L276 HydrophobicContact CD1-CG 4Å; L272-L276 HydrophobicContact CG-CD1 3.97Å; L272-L276 HydrophobicContact CG-CG 4.25Å; L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 WeakPolarHBondContact O-CG 3.25Å; L272-L276 PolarHBondContact O-N 2.68Å; L272-V300 HydrophobicContact CD2-CG1 4.1Å; L272-V300 HydrophobicContact CG-CG1 4.46Å; L272-V300 HydrophobicContact CG-CG2 4.39Å
273E98.8Very high97.8Very high12 Ų1247.2 Ų47.26%0.05623%0.231CC..Hα-helixtrans-56.4-51.4170-75.9174-174.500112.5R268 D269 Q271 L276 L277 I298 R299 V300R268-E273 WeakPolarHBondContact CD-OE1 3.34Å; R268-E273 WeakPolarHBondContact CG-OE1 3.42Å; R268-E273 IonicContact CZ-OE1 3.23Å; R268-E273 IonicContact CZ-OE2 3.43Å; R268-E273 IonicContact NE-OE1 3.69Å; R268-E273 PolarHBondContact NE-OE1 3.44Å; R268-E273 IonicContact NE-OE2 3.49Å; R268-E273 PolarHBondContact NE-OE2 2.94Å; R268-E273 IonicContact NH2-OE1 2.85Å; R268-E273 IonicContact NH2-OE2 3.95Å; R268-E273 PolarHBondContact NH2-OE2 3.05Å; D269-E273 VanDerWaalsContact O-CG 3.31Å; D269-E273 WeakPolarHBondContact O-CG 3.45Å; D269-E273 PolarHBondContact O-N 3.37Å; Q271-E273 VanDerWaalsContact C-N 3.28Å; Q271-E273 PolarHBondContact O-N 3.02Å; E273-L276 PolarHBondContact O-N 2.84Å; E273-L277 WeakPolarHBondContact O-CB 3.25Å; E273-L277 PolarHBondContact O-N 3.14Å; E273-I298 VanDerWaalsContact CD-O 3.28Å; E273-I298 VanDerWaalsContact CG-O 3.3Å; E273-I298 WeakPolarHBondContact CG-O 3.15Å; E273-R299 VanDerWaalsContact OE1-CA 3.24Å; E273-R299 WeakPolarHBondContact OE1-CA 3.41Å; E273-V300 HydrophobicContact CB-CG2 4.47Å; E273-V300 HydrophobicContact CG-CB 3.83Å; E273-V300 HydrophobicContact CG-CG2 3.64Å; E273-V300 VanDerWaalsContact CG-N 3.34Å; E273-V300 PolarHBondContact OE1-N 3.32Å
274Q98.4Very high97.8Very high100 Ų10044.2 Ų44.247%0.46722%0.223SC..Hα-helixtrans-63.4-45.9179.6179.557.236.100111.1V270 Q271 L276 L277 E278V270-Q274 PolarHBondContact O-N 3.36Å; Q271-Q274 PolarHBondContact O-N 3.25Å; Q274-L276 VanDerWaalsContact C-N 3.31Å; Q274-L276 PolarHBondContact O-N 3.18Å; Q274-L277 PolarHBondContact O-N 3.23Å; Q274-E278 PolarHBondContact NE2-OE1 3.22Å; Q274-E278 PolarHBondContact O-N 3.42Å; Q274-E278 VanDerWaalsContact O-N 3.07Å
275E98.2Very high97.7Very high52 Ų5243.5 Ų43.524%0.24321%0.212CC..Hα-helixtrans-60.2-39.8178-74.2-172.5-152.200112.5K209 Q271 E279K209-E275 WeakPolarHBondContact CD-OE2 3.27Å; K209-E275 IonicContact NZ-OE2 3.58Å; K209-E275 PolarHBondContact NZ-OE2 3.27Å; Q271-E275 PolarHBondContact NE2-OE1 3.27Å; Q271-E275 WeakPolarHBondContact O-CG 3.3Å; Q271-E275 PolarHBondContact O-N 2.85Å; E275-E279 WeakPolarHBondContact O-CG 3.22Å; E275-E279 PolarHBondContact O-N 2.82Å
276L98.6Very high97.7Very high0 Ų042.2 Ų42.20%021%0.206CC..Hα-helixtrans-74-32.4177.6-69.3172.2000112.1L212 V213 F231 L272 E273 Q274 E279 A280 I298 V300L212-L276 HydrophobicContact CB-CD1 4.26Å; L212-L276 HydrophobicContact CB-CD2 3.79Å; L212-L276 HydrophobicContact CD1-CD1 3.82Å; L212-L276 HydrophobicContact CD1-CD2 4.49Å; V213-L276 HydrophobicContact CG2-CD2 3.79Å; F231-L276 HydrophobicContact CD2-CD1 3.84Å; F231-L276 HydrophobicContact CE2-CD1 4.03Å; L272-L276 HydrophobicContact CD1-CD1 4.21Å; L272-L276 HydrophobicContact CD1-CD2 4.48Å; L272-L276 HydrophobicContact CD1-CG 4Å; L272-L276 HydrophobicContact CG-CD1 3.97Å; L272-L276 HydrophobicContact CG-CG 4.25Å; L272-L276 WeakPolarHBondContact O-CB 3.47Å; L272-L276 WeakPolarHBondContact O-CG 3.25Å; L272-L276 PolarHBondContact O-N 2.68Å; E273-L276 PolarHBondContact O-N 2.84Å; Q274-L276 VanDerWaalsContact C-N 3.31Å; Q274-L276 PolarHBondContact O-N 3.18Å; L276-E279 PolarHBondContact O-N 2.9Å; L276-A280 WeakPolarHBondContact O-CB 3.35Å; L276-A280 PolarHBondContact O-N 2.76Å; L276-I298 VanDerWaalsContact C-CD1 3.43Å; L276-I298 HydrophobicContact CB-CD1 3.53Å; L276-I298 HydrophobicContact CB-CG2 4.4Å; L276-I298 HydrophobicContact CD1-CG2 4.37Å; L276-V300 HydrophobicContact CD1-CG2 3.83Å
277L98.6Very high97.6Very high28 Ų2842.2 Ų42.215%0.14721%0.206CC..Hα-helixtrans-64.9-42176.4179.360.1000110.8E273 Q274 E279 A280 Q281 A295 I298E273-L277 WeakPolarHBondContact O-CB 3.25Å; E273-L277 PolarHBondContact O-N 3.14Å; Q274-L277 PolarHBondContact O-N 3.23Å; L277-E279 VanDerWaalsContact C-N 3.33Å; L277-E279 PolarHBondContact O-N 2.75Å; L277-A280 WeakPolarHBondContact O-CB 3.17Å; L277-A280 PolarHBondContact O-N 3.32Å; L277-Q281 WeakPolarHBondContact O-CG 3.38Å; L277-Q281 PolarHBondContact O-N 3.23Å; L277-A295 HydrophobicContact CD1-CB 4.13Å; L277-I298 HydrophobicContact CB-CD1 4.42Å; L277-I298 HydrophobicContact CB-CG1 4.37Å
278E98.2Very high97.4Very high76 Ų7640.5 Ų40.536%0.35520%0.199SC..Hα-helixtrans-61.2-41173.4-71.2170.7-162.400112Q274 Q281 K282Q274-E278 PolarHBondContact NE2-OE1 3.22Å; Q274-E278 PolarHBondContact O-N 3.42Å; Q274-E278 VanDerWaalsContact O-N 3.07Å; E278-Q281 PolarHBondContact O-N 3.37Å; E278-K282 WeakPolarHBondContact O-CE 3.49Å; E278-K282 VanDerWaalsContact O-CG 3.32Å; E278-K282 WeakPolarHBondContact O-CG 3.3Å; E278-K282 PolarHBondContact O-N 3.07Å
279E97.9Very high97.2Very high50 Ų5038.7 Ų38.723%0.23419%0.192CC..Hα-helixtrans-68-36.7174.9-66.5-56.9128.100112V213 M216 E275 L276 L277 Q281 K282 L283V213-E279 HydrophobicContact CG1-CB 4.26Å; V213-E279 HydrophobicContact CG2-CB 3.64Å; V213-E279 HydrophobicContact CG2-CG 3.78Å; M216-E279 HydrophobicContact CE-CB 4.37Å; E275-E279 WeakPolarHBondContact O-CG 3.22Å; E275-E279 PolarHBondContact O-N 2.82Å; L276-E279 PolarHBondContact O-N 2.9Å; L277-E279 VanDerWaalsContact C-N 3.33Å; L277-E279 PolarHBondContact O-N 2.75Å; E279-Q281 VanDerWaalsContact C-N 3.29Å; E279-Q281 PolarHBondContact O-N 3.18Å; E279-K282 PolarHBondContact O-N 2.78Å; E279-K282 VanDerWaalsContact O-N 3.14Å; E279-K282 IonicContact OE1-NZ 3.73Å; E279-K282 PolarHBondContact OE1-NZ 3.02Å; E279-L283 WeakPolarHBondContact O-CG 3.15Å; E279-L283 PolarHBondContact O-N 3.23Å
280A98Very high96.9Very high1 Ų137 Ų371%0.00819%0.186CC..Hα-helixtrans-59.8-40.7174.300000111.6M216 L276 L277 K282 L283 F294 A295 I298M216-A280 HydrophobicContact CE-CB 3.74Å; M216-A280 HydrophobicContact SD-CB 3.77Å; L276-A280 WeakPolarHBondContact O-CB 3.35Å; L276-A280 PolarHBondContact O-N 2.76Å; L277-A280 WeakPolarHBondContact O-CB 3.17Å; L277-A280 PolarHBondContact O-N 3.32Å; A280-K282 VanDerWaalsContact C-N 3.28Å; A280-K282 PolarHBondContact O-N 3.42Å; A280-L283 VanDerWaalsContact O-CB 3.31Å; A280-L283 WeakPolarHBondContact O-CB 3.37Å; A280-L283 PolarHBondContact O-N 3.43Å; A280-F294 HydrophobicContact CB-CD1 4.36Å; A280-A295 HydrophobicContact CB-CB 4.14Å; A280-I298 HydrophobicContact CB-CD1 4.41Å
281Q97.6Very high96.8Very high62 Ų6234.7 Ų34.729%0.2918%0.176SC..Hα-helixtrans-65.4-30.6176.8-71.1170.51.900112.8L277 E278 E279 L283 K292L277-Q281 WeakPolarHBondContact O-CG 3.38Å; L277-Q281 PolarHBondContact O-N 3.23Å; E278-Q281 PolarHBondContact O-N 3.37Å; E279-Q281 VanDerWaalsContact C-N 3.29Å; E279-Q281 PolarHBondContact O-N 3.18Å; Q281-L283 VanDerWaalsContact C-N 3.35Å; Q281-K292 WeakPolarHBondContact CA-O 3.31Å; Q281-K292 HydrophobicContact CB-CG 3.91Å; Q281-K292 HydrophobicContact CG-CG 3.76Å
282K95.9Very high96.8Very high120 Ų12029.9 Ų29.952%0.52215%0.153SC..Hα-helixtrans-81.1-11.5176.2-62.6166.1-157.71680113.3E278 E279 A280 G284 Q542E278-K282 WeakPolarHBondContact O-CE 3.49Å; E278-K282 VanDerWaalsContact O-CG 3.32Å; E278-K282 WeakPolarHBondContact O-CG 3.3Å; E278-K282 PolarHBondContact O-N 3.07Å; E279-K282 PolarHBondContact O-N 2.78Å; E279-K282 VanDerWaalsContact O-N 3.14Å; E279-K282 IonicContact OE1-NZ 3.73Å; E279-K282 PolarHBondContact OE1-NZ 3.02Å; A280-K282 VanDerWaalsContact C-N 3.28Å; A280-K282 PolarHBondContact O-N 3.42Å; K282-G284 PolarHBondContact O-N 3.08Å; K282-Q542 PolarHBondContact O-NE2 3.21Å
283L94.9Very high96.8Very high2 Ų230.5 Ų30.51%0.0116%0.155CC..THydrogen-bonded Turntrans-66.4-15178.5-67.4-177.1000113.5M216 R217 E279 A280 Q281 L285 F294 Q542M216-L283 HydrophobicContact CE-CD1 3.99Å; M216-L283 HydrophobicContact CE-CG 4.5Å; M216-L283 HydrophobicContact CG-CD1 4.11Å; R217-L283 HydrophobicContact CB-CD2 4.38Å; R217-L283 VanDerWaalsContact CZ-CD2 3.44Å; R217-L283 VanDerWaalsContact NH2-CD2 3.28Å; E279-L283 WeakPolarHBondContact O-CG 3.15Å; E279-L283 PolarHBondContact O-N 3.23Å; A280-L283 VanDerWaalsContact O-CB 3.31Å; A280-L283 WeakPolarHBondContact O-CB 3.37Å; A280-L283 PolarHBondContact O-N 3.43Å; Q281-L283 VanDerWaalsContact C-N 3.35Å; L283-L285 HydrophobicContact CB-CG 4.49Å; L283-L285 PolarHBondContact O-N 3.47Å; L283-F294 HydrophobicContact CD1-CD1 3.68Å; L283-F294 HydrophobicContact CD1-CE1 3.77Å; L283-F294 HydrophobicContact CD1-CG 4.34Å; L283-F294 HydrophobicContact CD1-CZ 4.48Å; L283-Q542 PolarHBondContact O-NE2 2.66Å; L283-Q542 PolarHBondContact O-OE1 2.85Å
284G94.8Very high96.8Very high21 Ų2130 Ų3022%0.21615%0.152CC..  trans66-1.1172.700000115.3K282 G286 G290 G291K282-G284 PolarHBondContact O-N 3.08Å; G284-G286 VanDerWaalsContact C-N 3.32Å; G284-G290 VanDerWaalsContact O-CA 3.23Å; G284-G290 WeakPolarHBondContact O-CA 3.34Å; G284-G291 CarbonylContact C-O 3.52Å; G284-G291 WeakPolarHBondContact CA-O 3.43Å; G284-G291 PolarHBondContact O-N 3.36Å; G284-G291 VanDerWaalsContact O-N 3.1Å
285L95.2Very high96.8Very high10 Ų1025.3 Ų25.35%0.05213%0.131CC..BIsolated β-bridgetrans-72.4-26.6177.6-66.9174.9000112.3T221 L283 G290 F294 F535 I538T221-L285 HydrophobicContact CG2-CB 4.4Å; L283-L285 HydrophobicContact CB-CG 4.49Å; L283-L285 PolarHBondContact O-N 3.47Å; L285-G290 VanDerWaalsContact O-CA 3.32Å; L285-G290 WeakPolarHBondContact O-CA 3.21Å; L285-G290 PolarHBondContact O-N 2.87Å; L285-F294 HydrophobicContact CB-CD2 3.66Å; L285-F294 HydrophobicContact CB-CE2 4.04Å; L285-F294 HydrophobicContact CB-CG 4.43Å; L285-F294 HydrophobicContact CD1-CD2 4Å; L285-F294 HydrophobicContact CD1-CE2 3.58Å; L285-F294 HydrophobicContact CD1-CZ 4.04Å; L285-F294 HydrophobicContact CG-CD2 4.48Å; L285-F294 HydrophobicContact CG-CE2 4.48Å; L285-F535 HydrophobicContact CD2-CD1 3.98Å; L285-I538 HydrophobicContact CD2-CG2 4.44Å
286G96.4Very high96.8Very high0 Ų023.6 Ų23.60%012%0.123CC..THydrogen-bonded Turntrans56-163.217900000114.9D83 G284 Q288 G291 Y293 F294D83-G286 WeakPolarHBondContact OD1-CA 3.17Å; G284-G286 VanDerWaalsContact C-N 3.32Å; G286-Q288 PolarHBondContact O-N 2.89Å; G286-G291 VanDerWaalsContact CA-O 3.31Å; G286-G291 WeakPolarHBondContact CA-O 3.48Å; G286-G291 PolarHBondContact N-O 3.05Å; G286-G291 VanDerWaalsContact N-O 3.13Å; G286-Y293 VanDerWaalsContact C-C 3.47Å; G286-Y293 CarbonylContact C-O 3.57Å; G286-Y293 VanDerWaalsContact C-O 3.3Å; G286-F294 WeakPolarHBondContact O-CA 3.35Å
287A97.1Very high96.8Very high0 Ų024.3 Ų24.30%013%0.126CC..THydrogen-bonded Turntrans-7477.9167.400000108.5D83 V86 P226 F289 Y293D83-A287 HydrophobicContact CB-CB 4.48Å; D83-A287 WeakPolarHBondContact OD1-CB 3.32Å; D83-A287 PolarHBondContact OD1-N 3.1Å; V86-A287 HydrophobicContact CB-CB 4.14Å; V86-A287 HydrophobicContact CG1-CB 3.96Å; V86-A287 WeakPolarHBondContact CG2-O 3.27Å; P226-A287 HydrophobicContact CG-CB 3.86Å; A287-F289 VanDerWaalsContact C-N 3.26Å; A287-F289 PolarHBondContact O-N 2.59Å; A287-Y293 WeakPolarHBondContact CA-O 3.21Å; A287-Y293 PolarHBondContact N-O 3.09Å; A287-Y293 VanDerWaalsContact N-O 3.15Å
288Q96.2Very high96.8Very high4 Ų423.1 Ų23.12%0.01912%0.12CC..THydrogen-bonded Turntrans76.1-40.5174.6-52.5-177.628.800116.9P225 G286 G486 F535P225-Q288 HydrophobicContact CG-CB 4.49Å; P225-Q288 HydrophobicContact CG-CG 3.74Å; P225-Q288 PolarHBondContact O-NE2 2.82Å; G286-Q288 PolarHBondContact O-N 2.89Å; Q288-G486 PolarHBondContact NE2-O 3.18Å; Q288-F535 VanDerWaalsContact O-CE1 3.26Å; Q288-F535 WeakPolarHBondContact O-CE1 3.35Å; Q288-F535 WeakPolarHBondContact O-CZ 3.33Å
289F94.1Very high96.8Very high7 Ų720.6 Ų20.63%0.03111%0.107CC..THydrogen-bonded Turntrans-124.340.2-169.6-58.7-78.2000113N82 V86 A287 I485 F524 L526 F534N82-F289 HydrophobicContact CB-CB 4.09Å; N82-F289 PolarHBondContact ND2-O 3.22Å; V86-F289 HydrophobicContact CG2-CD2 3.93Å; V86-F289 HydrophobicContact CG2-CE2 4.37Å; A287-F289 VanDerWaalsContact C-N 3.26Å; A287-F289 PolarHBondContact O-N 2.59Å; F289-I485 HydrophobicContact CE2-CB 4.44Å; F289-I485 HydrophobicContact CE2-CG1 3.9Å; F289-F524 HydrophobicContact CD1-CB 4.12Å; F289-F524 AromaticContact CD1-CD2 3.74Å; F289-F524 HydrophobicContact CD1-CD2 3.74Å; F289-F524 HydrophobicContact CD1-CE2 4.28Å; F289-F524 AromaticContact CD1-CG 3.9Å; F289-F524 HydrophobicContact CD1-CG 3.9Å; F289-F524 HydrophobicContact CD2-CD2 4.13Å; F289-F524 AromaticContact CD2-CE2 3.89Å; F289-F524 HydrophobicContact CD2-CE2 3.89Å; F289-F524 HydrophobicContact CD2-CZ 4.48Å; F289-F524 HydrophobicContact CE1-CB 3.99Å; F289-F524 AromaticContact CE1-CD2 3.5Å; F289-F524 HydrophobicContact CE1-CD2 3.5Å; F289-F524 HydrophobicContact CE1-CE2 4.25Å; F289-F524 AromaticContact CE1-CG 3.95Å; F289-F524 HydrophobicContact CE1-CG 3.95Å; F289-F524 AromaticContact CE2-CD2 3.94Å; F289-F524 HydrophobicContact CE2-CD2 3.94Å; F289-F524 AromaticContact CE2-CE2 3.88Å; F289-F524 HydrophobicContact CE2-CE2 3.88Å; F289-F524 HydrophobicContact CG-CD2 4.04Å; F289-F524 HydrophobicContact CG-CE2 4.11Å; F289-F524 HydrophobicContact CG-CG 4.4Å; F289-F524 AromaticContact CZ-CD2 3.62Å; F289-F524 HydrophobicContact CZ-CD2 3.62Å; F289-F524 HydrophobicContact CZ-CE2 4.06Å; F289-L526 HydrophobicContact CD1-CD2 3.98Å; F289-L526 HydrophobicContact CE1-CD1 4.2Å; F289-L526 HydrophobicContact CE1-CD2 3.99Å; F289-L526 HydrophobicContact CE1-CG 4.44Å; F289-F534 VanDerWaalsContact C-CZ 3.49Å; F289-F534 WeakPolarHBondContact O-CZ 3.13Å
290G92.5Very high96.9Very high12 Ų1218.3 Ų18.312%0.12410%0.097CC..SBendtrans82.9133.1175.400000113.4S80 G284 L285S80-G290 PolarHBondContact OG-O 2.59Å; G284-G290 VanDerWaalsContact O-CA 3.23Å; G284-G290 WeakPolarHBondContact O-CA 3.34Å; L285-G290 VanDerWaalsContact O-CA 3.32Å; L285-G290 WeakPolarHBondContact O-CA 3.21Å; L285-G290 PolarHBondContact O-N 2.87Å
291G95.3Very high96.9Very high20 Ų2018.3 Ų18.321%0.20610%0.097CC..BIsolated β-bridgetrans147.8-162.3-175.500000113.4D83 G284 G286D83-G291 VanDerWaalsContact OD2-CA 3.32Å; D83-G291 WeakPolarHBondContact OD2-CA 3.38Å; G284-G291 CarbonylContact C-O 3.52Å; G284-G291 WeakPolarHBondContact CA-O 3.43Å; G284-G291 PolarHBondContact O-N 3.36Å; G284-G291 VanDerWaalsContact O-N 3.1Å; G286-G291 VanDerWaalsContact CA-O 3.31Å; G286-G291 WeakPolarHBondContact CA-O 3.48Å; G286-G291 PolarHBondContact N-O 3.05Å; G286-G291 VanDerWaalsContact N-O 3.13Å
292K97.5Very high97Very high33 Ų3318.1 Ų18.114%0.1439%0.093CC..SBendtrans-87.7-35.2-176.3178.9177.2175.5-179.10112D76 E78 D83 Q281 F294D76-K292 IonicContact OD1-NZ 2.71Å; D76-K292 WeakPolarHBondContact OD2-CD 3.26Å; D76-K292 WeakPolarHBondContact OD2-CE 3.01Å; D76-K292 IonicContact OD2-NZ 3.62Å; D76-K292 PolarHBondContact OD2-NZ 3.44Å; E78-K292 HydrophobicContact CB-CD 3.84Å; E78-K292 IonicContact OE2-NZ 2.81Å; E78-K292 PolarHBondContact OE2-NZ 3.17Å; D83-K292 PolarHBondContact OD2-N 3.47Å; Q281-K292 WeakPolarHBondContact CA-O 3.31Å; Q281-K292 HydrophobicContact CB-CG 3.91Å; Q281-K292 HydrophobicContact CG-CG 3.76Å; K292-F294 VanDerWaalsContact C-N 3.32Å; K292-F294 PolarHBondContact O-N 2.81Å
293Y98.3Very high97.1Very high31 Ų3112.8 Ų12.812%0.1227%0.071CC..  trans-88.657.7-165.2-77.2-84.5000114.7I73 D76 A79 D83 P226 G286 A287 A295I73-Y293 HydrophobicContact CB-CD2 4.34Å; I73-Y293 HydrophobicContact CB-CE2 4.26Å; I73-Y293 HydrophobicContact CB-CG 4.48Å; I73-Y293 HydrophobicContact CD1-CD1 3.8Å; I73-Y293 HydrophobicContact CD1-CE1 4.35Å; I73-Y293 HydrophobicContact CD1-CG 3.85Å; I73-Y293 HydrophobicContact CG1-CD1 3.55Å; I73-Y293 HydrophobicContact CG1-CD2 4.08Å; I73-Y293 HydrophobicContact CG1-CE1 3.61Å; I73-Y293 HydrophobicContact CG1-CE2 4.14Å; I73-Y293 HydrophobicContact CG1-CG 3.74Å; I73-Y293 HydrophobicContact CG2-CD2 3.71Å; I73-Y293 HydrophobicContact CG2-CE2 3.94Å; I73-Y293 HydrophobicContact CG2-CG 4.09Å; D76-Y293 HydrophobicContact CB-CE2 3.96Å; D76-Y293 WeakPolarHBondContact CB-OH 3.3Å; D76-Y293 WeakPolarHBondContact OD2-CE2 3.48Å; D76-Y293 PolarHBondContact OD2-OH 3.22Å; A79-Y293 HydrophobicContact CB-CD2 4.01Å; A79-Y293 HydrophobicContact CB-CE2 3.75Å; D83-Y293 HydrophobicContact CB-CD2 4.24Å; D83-Y293 PolarHBondContact OD2-N 3.38Å; P226-Y293 VanDerWaalsContact CB-O 3.28Å; P226-Y293 WeakPolarHBondContact CB-O 3.29Å; P226-Y293 WeakPolarHBondContact CG-O 3.09Å; G286-Y293 VanDerWaalsContact C-C 3.47Å; G286-Y293 CarbonylContact C-O 3.57Å; G286-Y293 VanDerWaalsContact C-O 3.3Å; A287-Y293 WeakPolarHBondContact CA-O 3.21Å; A287-Y293 PolarHBondContact N-O 3.09Å; A287-Y293 VanDerWaalsContact N-O 3.15Å; Y293-A295 VanDerWaalsContact C-N 3.34Å
294F98.4Very high97.3Very high0 Ų015.2 Ų15.20%09%0.086CC..SBendtrans-68.7-34.6171.3-174.6-112.9000112.7M216 L219 G220 P225 P226 Y227 I229 A280 L283 L285 G286 K292M216-F294 HydrophobicContact CG-CD1 4.48Å; M216-F294 HydrophobicContact CG-CE1 3.89Å; L219-F294 HydrophobicContact CB-CZ 4.04Å; L219-F294 HydrophobicContact CD1-CE1 4.36Å; G220-F294 WeakPolarHBondContact O-CE2 3.35Å; P225-F294 HydrophobicContact CB-CD2 4.35Å; P225-F294 WeakPolarHBondContact CB-O 3.47Å; P226-F294 WeakPolarHBondContact CA-O 3.49Å; Y227-F294 HydrophobicContact CD2-CD1 4.44Å; Y227-F294 HydrophobicContact CD2-CD2 4.44Å; Y227-F294 HydrophobicContact CD2-CE1 4.05Å; Y227-F294 HydrophobicContact CD2-CE2 4.06Å; Y227-F294 AromaticContact CD2-CZ 3.86Å; Y227-F294 HydrophobicContact CD2-CZ 3.86Å; Y227-F294 WeakPolarHBondContact CD2-O 3.48Å; Y227-F294 HydrophobicContact CE2-CD2 4.28Å; Y227-F294 HydrophobicContact CE2-CE1 4.22Å; Y227-F294 AromaticContact CE2-CE2 3.58Å; Y227-F294 HydrophobicContact CE2-CE2 3.58Å; Y227-F294 AromaticContact CE2-CZ 3.55Å; Y227-F294 HydrophobicContact CE2-CZ 3.55Å; Y227-F294 PolarHBondContact N-O 2.97Å; I229-F294 HydrophobicContact CD1-CD1 4.27Å; I229-F294 HydrophobicContact CD1-CE1 4.11Å; A280-F294 HydrophobicContact CB-CD1 4.36Å; L283-F294 HydrophobicContact CD1-CD1 3.68Å; L283-F294 HydrophobicContact CD1-CE1 3.77Å; L283-F294 HydrophobicContact CD1-CG 4.34Å; L283-F294 HydrophobicContact CD1-CZ 4.48Å; L285-F294 HydrophobicContact CB-CD2 3.66Å; L285-F294 HydrophobicContact CB-CE2 4.04Å; L285-F294 HydrophobicContact CB-CG 4.43Å; L285-F294 HydrophobicContact CD1-CD2 4Å; L285-F294 HydrophobicContact CD1-CE2 3.58Å; L285-F294 HydrophobicContact CD1-CZ 4.04Å; L285-F294 HydrophobicContact CG-CD2 4.48Å; L285-F294 HydrophobicContact CG-CE2 4.48Å; G286-F294 WeakPolarHBondContact O-CA 3.35Å; K292-F294 VanDerWaalsContact C-N 3.32Å; K292-F294 PolarHBondContact O-N 2.81Å
295A98.7Very high97.5Very high3 Ų317.2 Ų17.23%0.0259%0.087CC..EExtended strand (participates in β ladder)trans-128.8142177.900000110.3Y227 I229 L277 A280 Y293 I298Y227-A295 CarbonylContact O-C 3.57Å; Y227-A295 VanDerWaalsContact O-CA 3.27Å; Y227-A295 WeakPolarHBondContact O-CA 3.42Å; I229-A295 HydrophobicContact CD1-CB 3.84Å; I229-A295 HydrophobicContact CG1-CB 4.14Å; L277-A295 HydrophobicContact CD1-CB 4.13Å; A280-A295 HydrophobicContact CB-CB 4.14Å; Y293-A295 VanDerWaalsContact C-N 3.34Å; A295-I298 HydrophobicContact CB-CG1 4.49Å
296H98.6Very high97.6Very high16 Ų1622.8 Ų22.87%0.07411%0.113CC..EExtended strand (participates in β ladder)trans-71.5-49.8163.1-73.7-52.8000110.1H66 Q69 V70 P226 Y227 H228H66-H296 AromaticContact CE1-CD2 3.78Å; H66-H296 AromaticContact CE1-NE2 3.51Å; H66-H296 AromaticContact ND1-CD2 3.93Å; Q69-H296 HydrophobicContact CB-CB 4.41Å; V70-H296 VanDerWaalsContact CG2-CE1 3.49Å; V70-H296 WeakPolarHBondContact CG2-CE1 3.48Å; P226-H296 PolarHBondContact O-CD2 2.75Å; Y227-H296 PolarHBondContact O-N 3.43Å; H228-H296 AromaticContact CE1-CD2 3.93Å; H228-H296 AromaticContact NE2-CD2 3.75Å
297D98.8Very high97.7Very high14 Ų1425.8 Ų25.88%0.07514%0.143CC..EExtended strand (participates in β ladder)trans-159173.1178.455.633.1000111.3Q69 H228 I229 H251 R299Q69-D297 PolarHBondContact NE2-OD2 2.91Å; H228-D297 IonicContact CE1-OD1 3.06Å; H228-D297 IonicContact CE1-OD2 3.7Å; H228-D297 IonicContact CG-OD1 3.74Å; H228-D297 IonicContact ND1-OD1 3.37Å; H228-D297 PolarHBondContact ND1-OD1 3.15Å; H228-D297 IonicContact ND1-OD2 3.98Å; I229-D297 PolarHBondContact N-O 2.81Å; H251-D297 IonicContact CE1-OD1 3.62Å; H251-D297 IonicContact CE1-OD2 2.73Å; H251-D297 PolarHBondContact CE1-OD2 2.84Å; H251-D297 IonicContact NE2-OD1 2.96Å; H251-D297 PolarHBondContact NE2-OD1 3.45Å; H251-D297 IonicContact NE2-OD2 2.78Å; H251-D297 PolarHBondContact NE2-OD2 2.79Å; D297-R299 IonicContact OD1-NH1 3.84Å; D297-R299 IonicContact OD2-NH1 2.69Å; D297-R299 IonicContact OD2-NH2 2.75Å
298I98.8Very high97.7Very high3 Ų329.9 Ų29.92%0.01518%0.178CC..EExtended strand (participates in β ladder)trans-127.5142.6177.2-54.8-166.7000109M216 I229 F231 E273 L276 L277 A280 A295 V300M216-I298 HydrophobicContact SD-CD1 3.94Å; I229-I298 HydrophobicContact CB-CG1 4.13Å; I229-I298 HydrophobicContact CB-CG2 4.48Å; I229-I298 HydrophobicContact CD1-CD1 4.45Å; I229-I298 CarbonylContact O-C 3.58Å; I229-I298 VanDerWaalsContact O-CA 3.27Å; I229-I298 WeakPolarHBondContact O-CA 3.26Å; F231-I298 HydrophobicContact CD2-CG2 4.03Å; F231-I298 HydrophobicContact CE2-CG2 4.44Å; E273-I298 VanDerWaalsContact CD-O 3.28Å; E273-I298 VanDerWaalsContact CG-O 3.3Å; E273-I298 WeakPolarHBondContact CG-O 3.15Å; L276-I298 VanDerWaalsContact C-CD1 3.43Å; L276-I298 HydrophobicContact CB-CD1 3.53Å; L276-I298 HydrophobicContact CB-CG2 4.4Å; L276-I298 HydrophobicContact CD1-CG2 4.37Å; L277-I298 HydrophobicContact CB-CD1 4.42Å; L277-I298 HydrophobicContact CB-CG1 4.37Å; A280-I298 HydrophobicContact CB-CD1 4.41Å; A295-I298 HydrophobicContact CB-CG1 4.49Å; I298-V300 HydrophobicContact CG2-CG2 4Å
299R98.9Very high97.8Very high23 Ų2332 Ų329%0.08719%0.193CC..EExtended strand (participates in β ladder)trans-115.6131166.1-66.3-62.7179.6-81.1-7.2110.1I229 A230 F231 A248 D254 E273 D297I229-R299 PolarHBondContact O-N 3.24Å; A230-R299 CarbonylContact C-O 3.59Å; A230-R299 WeakPolarHBondContact CA-O 3.46Å; F231-R299 PolarHBondContact N-O 3.29Å; A248-R299 HydrophobicContact CB-CB 4.43Å; D254-R299 VanDerWaalsContact CG-NE 3.28Å; D254-R299 WeakPolarHBondContact OD1-CD 3.27Å; D254-R299 IonicContact OD1-CZ 3.14Å; D254-R299 IonicContact OD1-NE 3.66Å; D254-R299 PolarHBondContact OD1-NE 2.87Å; D254-R299 IonicContact OD1-NH2 2.71Å; D254-R299 IonicContact OD2-CZ 3.46Å; D254-R299 IonicContact OD2-NE 3.32Å; D254-R299 PolarHBondContact OD2-NE 2.69Å; D254-R299 IonicContact OD2-NH2 3.66Å; D254-R299 PolarHBondContact OD2-NH2 2.98Å; E273-R299 VanDerWaalsContact OE1-CA 3.24Å; E273-R299 WeakPolarHBondContact OE1-CA 3.41Å; D297-R299 IonicContact OD1-NH1 3.84Å; D297-R299 IonicContact OD2-NH1 2.69Å; D297-R299 IonicContact OD2-NH2 2.75Å
300V98.9Very high98.1Very high2 Ų231.7 Ų31.71%0.01219%0.191CC..EExtended strand (participates in β ladder)trans-124112.6177.1-177.20000108.7F231 I233 R268 D269 L272 E273 L276 I298F231-V300 HydrophobicContact CB-CG2 4.34Å; F231-V300 WeakPolarHBondContact O-CA 3.2Å; I233-V300 HydrophobicContact CD1-CG1 3.5Å; I233-V300 VanDerWaalsContact CD1-CG1 3.5Å; R268-V300 CarbonylContact C-O 3.56Å; R268-V300 WeakPolarHBondContact CA-O 3.35Å; D269-V300 HydrophobicContact CB-CB 4.22Å; D269-V300 HydrophobicContact CB-CG1 4.04Å; D269-V300 PolarHBondContact N-O 2.83Å; L272-V300 HydrophobicContact CD2-CG1 4.1Å; L272-V300 HydrophobicContact CG-CG1 4.46Å; L272-V300 HydrophobicContact CG-CG2 4.39Å; E273-V300 HydrophobicContact CB-CG2 4.47Å; E273-V300 HydrophobicContact CG-CB 3.83Å; E273-V300 HydrophobicContact CG-CG2 3.64Å; E273-V300 VanDerWaalsContact CG-N 3.34Å; E273-V300 PolarHBondContact OE1-N 3.32Å; L276-V300 HydrophobicContact CD1-CG2 3.83Å; I298-V300 HydrophobicContact CG2-CG2 4Å
301I98.9Very high98.4Very high1 Ų131.3 Ų31.31%0.00519%0.187CC..EExtended strand (participates in β ladder)trans-107.9124.6178-48.8-60.9000109.8F231 V232 I233 T244 A248 L256 A266 F267 R268 L303F231-I301 PolarHBondContact O-N 2.78Å; V232-I301 CarbonylContact C-O 3.47Å; V232-I301 VanDerWaalsContact CA-O 3.29Å; V232-I301 WeakPolarHBondContact CA-O 3.48Å; V232-I301 HydrophobicContact CG2-CB 4.22Å; I233-I301 PolarHBondContact N-O 2.73Å; T244-I301 HydrophobicContact CG2-CB 4.32Å; T244-I301 HydrophobicContact CG2-CG2 4.07Å; A248-I301 HydrophobicContact CB-CG1 3.91Å; L256-I301 HydrophobicContact CD1-CD1 4.05Å; L256-I301 HydrophobicContact CD1-CG2 4.05Å; A266-I301 HydrophobicContact CB-CG2 4.35Å; F267-I301 WeakPolarHBondContact O-CA 3.43Å; R268-I301 HydrophobicContact CB-CD1 4.14Å; R268-I301 HydrophobicContact CG-CD1 4.23Å; I301-L303 HydrophobicContact CG2-CD2 3.89Å; I301-L303 HydrophobicContact CG2-CG 4.41Å
302R98.8Very high98.5Very high58 Ų5830.4 Ų30.422%0.21918%0.177CC..EExtended strand (participates in β ladder)trans-99.8124.5173.7-176.970.6-1789321.9109.4I233 A266 F267I233-R302 WeakPolarHBondContact O-CD 3.36Å; I233-R302 PolarHBondContact O-NH1 3.48Å; A266-R302 WeakPolarHBondContact CA-O 3.44Å; F267-R302 HydrophobicContact CD1-CB 3.93Å; F267-R302 HydrophobicContact CD1-CG 4.25Å; F267-R302 HydrophobicContact CD2-CB 4.33Å; F267-R302 HydrophobicContact CE1-CB 3.46Å; F267-R302 VanDerWaalsContact CE1-CB 3.46Å; F267-R302 HydrophobicContact CE1-CG 3.4Å; F267-R302 VanDerWaalsContact CE1-CG 3.4Å; F267-R302 HydrophobicContact CE2-CB 3.88Å; F267-R302 HydrophobicContact CE2-CG 4.42Å; F267-R302 HydrophobicContact CG-CB 4.35Å; F267-R302 HydrophobicContact CZ-CB 3.44Å; F267-R302 VanDerWaalsContact CZ-CB 3.44Å; F267-R302 HydrophobicContact CZ-CG 3.51Å; F267-R302 PolarHBondContact N-O 2.93Å; F267-R302 PolarHBondContact O-N 2.86Å
303L98.8Very high98.6Very high9 Ų928.8 Ų28.85%0.04717%0.17CC..EExtended strand (participates in β ladder)trans-110.3158.6179.6-63.2-175.2000112.1F12 V232 I233 T244 A266 I301F12-L303 HydrophobicContact CE1-CD2 3.69Å; F12-L303 HydrophobicContact CZ-CD2 3.85Å; V232-L303 HydrophobicContact CG1-CD1 3.56Å; V232-L303 HydrophobicContact CG1-CG 3.83Å; I233-L303 PolarHBondContact O-N 2.77Å; T244-L303 HydrophobicContact CG2-CD1 4.13Å; T244-L303 HydrophobicContact CG2-CD2 4.4Å; A266-L303 HydrophobicContact CB-CD2 3.43Å; A266-L303 VanDerWaalsContact CB-CD2 3.43Å; I301-L303 HydrophobicContact CG2-CD2 3.89Å; I301-L303 HydrophobicContact CG2-CG 4.41Å
304P98.3Very high98.6Very high52 Ų5227.3 Ų27.334%0.33816%0.164SC..EExtended strand (participates in β ladder)trans-60.4161.3164.429.3-36.4000110.6G235 G264G235-P304 CarbonylContact C-O 3.47Å; G235-P304 WeakPolarHBondContact CA-O 3.47Å; G235-P304 PolarHBondContact N-O 2.96Å; G264-P304 VanDerWaalsContact O-CD 3.29Å; G264-P304 WeakPolarHBondContact O-CD 3.41Å; G264-P304 VanDerWaalsContact O-CG 3.3Å; G264-P304 WeakPolarHBondContact O-CG 3.27Å
305R98.4Very high98.6Very high63 Ų6327.4 Ų27.424%0.23817%0.165CC..EExtended strand (participates in β ladder)trans-149.3150.1-179.666.4-175.3-170.467.314.4110.7G307 S309R305-G307 PolarHBondContact NH1-O 2.96Å; R305-S309 WeakPolarHBondContact CD-O 3.33Å; R305-S309 PolarHBondContact NH1-O 3.48Å
306H98.3Very high98.7Very high128 Ų12827.3 Ų27.359%0.59316%0.164SC*.  trans-60.4145.8166.4-178.2-94.8000110.1A308 S309H306-A308 PolarHBondContact ND1-N 2.82Å; H306-A308 VanDerWaalsContact ND1-N 3.2Å; H306-A308 PolarHBondContact O-N 2.71Å; H306-A308 VanDerWaalsContact O-N 3.11Å; H306-S309 PolarHBondContact O-N 3.12Å
307G97.9Very high98.7Very high62 Ų6226.8 Ų26.864%0.63916%0.162SC*.THydrogen-bonded Turntrans-53.7-37.6-174.200000113.7R305R305-G307 PolarHBondContact NH1-O 2.96Å
308A98.2Very high98.6Very high87 Ų8726.7 Ų26.772%0.71916%0.162SC*.THydrogen-bonded Turntrans-86.90.2-179.600000115.4H306H306-A308 PolarHBondContact ND1-N 2.82Å; H306-A308 VanDerWaalsContact ND1-N 3.2Å; H306-A308 PolarHBondContact O-N 2.71Å; H306-A308 VanDerWaalsContact O-N 3.11Å
309S98.5Very high98.6Very high48 Ų4827 Ų2734%0.33617%0.165SC..  trans-127.4146.9-171.5-47.10000111.3R305 H306R305-S309 WeakPolarHBondContact CD-O 3.33Å; R305-S309 PolarHBondContact NH1-O 3.48Å; H306-S309 PolarHBondContact O-N 3.12Å
310C98.7Very high98.5Very high0 Ų026.3 Ų26.30%016%0.164CC..EExtended strand (participates in β ladder)trans-14973.8168.4-169.40000110.3E198 V312E198-C310 CarbonylContact C-O 3.54Å; E198-C310 WeakPolarHBondContact CA-O 3.27Å; E198-C310 WeakPolarHBondContact CB-O 3.28Å; E198-C310 PolarHBondContact N-O 3.13Å; E198-C310 VanDerWaalsContact N-O 3.09Å; E198-C310 WeakPolarHBondContact O-CB 3.39Å; E198-C310 PolarHBondContact O-N 3.05Å; C310-V312 PolarHBondContact O-N 3.21Å
311P98.8Very high98.5Very high4 Ų426.4 Ų26.43%0.02617%0.165CC..EExtended strand (participates in β ladder)trans-63.6136.4173.227.9-33.2000109.4L195 G234 N241L195-P311 HydrophobicContact CD1-CB 4.11Å; G234-P311 WeakPolarHBondContact CA-O 3.35Å; G234-P311 PolarHBondContact N-O 3.02Å; N241-P311 HydrophobicContact CB-CB 4.22Å; N241-P311 HydrophobicContact CB-CG 4.34Å; N241-P311 PolarHBondContact ND2-O 2.96Å
312V98.9Very high98.4Very high1 Ų126.5 Ų26.51%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-123.4123.6173.2-178.50000108.1Y196 E198 L202 F211 L212 V232 C310Y196-V312 PolarHBondContact N-O 3.12Å; Y196-V312 PolarHBondContact O-N 2.83Å; E198-V312 HydrophobicContact CB-CG2 4.16Å; E198-V312 HydrophobicContact CG-CB 4.49Å; E198-V312 HydrophobicContact CG-CG2 4.08Å; L202-V312 HydrophobicContact CD2-CG2 4.01Å; F211-V312 HydrophobicContact CE1-CB 4.4Å; F211-V312 HydrophobicContact CE1-CG1 4.03Å; L212-V312 HydrophobicContact CD2-CG1 4.01Å; V232-V312 CarbonylContact O-C 3.58Å; V232-V312 VanDerWaalsContact O-CA 3.32Å; V232-V312 WeakPolarHBondContact O-CA 3.21Å; C310-V312 PolarHBondContact O-N 3.21Å
313G98.9Very high98.4Very high0 Ų023.9 Ų23.90%016%0.155CC..EExtended strand (participates in β ladder)trans-110.5144.517900000111Y194 F231 V232 N241Y194-G313 WeakPolarHBondContact O-CA 3.48Å; F231-G313 CarbonylContact C-O 3.58Å; F231-G313 WeakPolarHBondContact CA-O 3.44Å; V232-G313 PolarHBondContact N-O 3.25Å; V232-G313 PolarHBondContact O-N 3.34Å; N241-G313 WeakPolarHBondContact OD1-CA 3.23Å; N241-G313 PolarHBondContact OD1-N 3.37Å
314M98.8Very high98.4Very high0 Ų023.5 Ų23.50%015%0.153CC..EExtended strand (participates in β ladder)trans-132.9139.2173-178.717967.500109.1T193 Y194 Y196 K215 L219 A230 F231T193-M314 CarbonylContact C-O 3.47Å; T193-M314 WeakPolarHBondContact CA-O 3.23Å; Y194-M314 HydrophobicContact CD2-CE 3.42Å; Y194-M314 VanDerWaalsContact CD2-CE 3.42Å; Y194-M314 HydrophobicContact CE2-CE 4Å; Y194-M314 HydrophobicContact CG-CE 4.39Å; Y194-M314 PolarHBondContact N-O 2.82Å; Y194-M314 PolarHBondContact O-N 2.96Å; Y196-M314 HydrophobicContact CE2-CB 4.16Å; Y196-M314 HydrophobicContact CE2-CE 4.44Å; Y196-M314 WeakPolarHBondContact OH-CE 3.23Å; K215-M314 HydrophobicContact CB-CE 4.26Å; K215-M314 HydrophobicContact CB-SD 4.16Å; K215-M314 VanDerWaalsContact O-CE 3.31Å; K215-M314 WeakPolarHBondContact O-CE 3.38Å; L219-M314 HydrophobicContact CD1-CE 4.45Å; L219-M314 HydrophobicContact CD1-SD 4.08Å; L219-M314 HydrophobicContact CD2-CE 3.74Å; L219-M314 HydrophobicContact CD2-SD 4.31Å; L219-M314 HydrophobicContact CG-CE 3.76Å; L219-M314 HydrophobicContact CG-SD 4.04Å; A230-M314 CarbonylContact O-C 3.5Å; A230-M314 VanDerWaalsContact O-CA 3.32Å; A230-M314 WeakPolarHBondContact O-CA 3.33Å; F231-M314 HydrophobicContact CD1-CB 3.81Å; F231-M314 HydrophobicContact CD1-CG 3.83Å; F231-M314 HydrophobicContact CD1-SD 4.39Å; F231-M314 HydrophobicContact CE1-CB 3.67Å; F231-M314 HydrophobicContact CE1-CG 3.33Å; F231-M314 HydrophobicContact CE1-SD 3.34Å; F231-M314 WeakPolarHBondContact CE1-SD 3.5Å; F231-M314 HydrophobicContact CZ-CG 3.83Å; F231-M314 HydrophobicContact CZ-SD 3.55Å; F231-M314 VanDerWaalsContact CZ-SD 3.55Å
315G98.8Very high98.4Very high1 Ų122.5 Ų22.51%0.0114%0.144CC..EExtended strand (participates in β ladder)trans-157.3171.3176.500000111.7K192 A230 V245K192-G315 WeakPolarHBondContact O-CA 3.25Å; A230-G315 PolarHBondContact N-O 3.12Å; A230-G315 PolarHBondContact O-N 3.22Å; V245-G315 VanDerWaalsContact CG1-N 3.3Å
316V98.8Very high98.5Very high1 Ų119.6 Ų19.61%0.00613%0.133CC..EExtended strand (participates in β ladder)trans-136.1148.3179.2-590000112K185 K192 L219 A223 Y227 H228 I229K185-V316 PolarHBondContact NZ-O 3.14Å; K192-V316 HydrophobicContact CB-CG2 3.97Å; L219-V316 HydrophobicContact CD1-CG1 3.65Å; L219-V316 HydrophobicContact CD2-CG1 3.73Å; L219-V316 HydrophobicContact CG-CG1 4.32Å; A223-V316 HydrophobicContact CB-CG2 4.1Å; Y227-V316 HydrophobicContact CD1-CB 3.86Å; Y227-V316 HydrophobicContact CD1-CG1 4.08Å; Y227-V316 HydrophobicContact CD1-CG2 3.93Å; Y227-V316 HydrophobicContact CD2-CG1 4.28Å; Y227-V316 HydrophobicContact CE1-CB 4.49Å; Y227-V316 HydrophobicContact CE1-CG2 4.09Å; Y227-V316 HydrophobicContact CG-CB 4.09Å; Y227-V316 HydrophobicContact CG-CG1 3.88Å; H228-V316 CarbonylContact O-C 3.53Å; H228-V316 VanDerWaalsContact O-CA 3.25Å; H228-V316 WeakPolarHBondContact O-CA 3.48Å; I229-V316 HydrophobicContact CG1-CG1 4.1Å
317S98.8Very high98.5Very high6 Ų615.6 Ų15.64%0.04211%0.114CC..EExtended strand (participates in β ladder)trans-90137.5147.5-151.50000109.1Y227 H228 S249 D321Y227-S317 WeakPolarHBondContact CA-O 3.33Å; H228-S317 PolarHBondContact N-O 2.92Å; H228-S317 VanDerWaalsContact N-O 3.08Å; H228-S317 PolarHBondContact O-N 3.47Å; S249-S317 WeakPolarHBondContact O-CB 3.3Å; S317-D321 VanDerWaalsContact CB-OD1 3.3Å; S317-D321 WeakPolarHBondContact CB-OD1 3.29Å; S317-D321 PolarHBondContact OG-OD1 3.42Å
318C98.1Very high98.5Very high11 Ų1112.7 Ų12.77%0.0748%0.084CC..  trans-89.7-178.8-179.956.20000111.1A223 A320 D321A223-C318 WeakPolarHBondContact O-CB 3.45Å; C318-A320 CarbonylContact O-C 3.37Å; C318-A320 PolarHBondContact O-N 3.36Å; C318-D321 PolarHBondContact O-N 2.84Å
319S97.4Very high98.6Very high9 Ų99 Ų96%0.0635%0.052CC..SBendtrans-56.4-21172.2-41.20000114.6F90 C224 D321F90-S319 WeakPolarHBondContact CE2-OG 3.27Å; F90-S319 VanDerWaalsContact CZ-CB 3.46Å; F90-S319 WeakPolarHBondContact CZ-OG 3.23Å; C224-S319 PolarHBondContact O-N 3.31Å; C224-S319 VanDerWaalsContact O-N 3.14Å; C224-S319 PolarHBondContact O-OG 2.94Å; S319-D321 VanDerWaalsContact C-N 3.26Å; S319-D321 PolarHBondContact O-N 3.25Å
320A97.1Very high98.5Very high9 Ų912.5 Ų12.57%0.0746%0.058CC..SBendtrans-88.667166.100000109.2C105 C318 R322C105-A320 HydrophobicContact CB-CB 3.92Å; C318-A320 CarbonylContact O-C 3.37Å; C318-A320 PolarHBondContact O-N 3.36Å; A320-R322 HydrophobicContact CB-CG 4.35Å; A320-R322 PolarHBondContact O-N 3.48Å
321D98.5Very high98.5Very high4 Ų417 Ų172%0.0218%0.079CC..  trans-74.370-177.8-174.543.7000112.1H228 S317 C318 S319 N323H228-D321 IonicContact NE2-OD2 3.87Å; S317-D321 VanDerWaalsContact CB-OD1 3.3Å; S317-D321 WeakPolarHBondContact CB-OD1 3.29Å; S317-D321 PolarHBondContact OG-OD1 3.42Å; C318-D321 PolarHBondContact O-N 2.84Å; S319-D321 VanDerWaalsContact C-N 3.26Å; S319-D321 PolarHBondContact O-N 3.25Å; D321-N323 PolarHBondContact O-N 3.47Å; D321-N323 PolarHBondContact OD1-ND2 3.27Å; D321-N323 VanDerWaalsContact OD1-ND2 3.15Å
322R98.6Very high98.5Very high4 Ų416.9 Ų16.92%0.0158%0.078CC..  trans-101.588.3-168.4-60.6179.9-59.3-145.2-0.5111.5A58 L62 D107 T108 A184 A320A58-R322 HydrophobicContact CB-CB 4.41Å; A58-R322 VanDerWaalsContact O-CB 3.29Å; A58-R322 WeakPolarHBondContact O-CB 2.94Å; A58-R322 WeakPolarHBondContact O-CD 3.46Å; A58-R322 WeakPolarHBondContact O-CG 3.15Å; L62-R322 HydrophobicContact CD2-CG 3.89Å; D107-R322 PolarHBondContact O-NH1 3.25Å; D107-R322 PolarHBondContact O-NH2 3.38Å; T108-R322 PolarHBondContact O-NH2 3.3Å; A184-R322 HydrophobicContact CB-CB 3.89Å; A184-R322 PolarHBondContact N-O 2.93Å; A184-R322 PolarHBondContact O-NE 3.44Å; A184-R322 VanDerWaalsContact O-NE 3.12Å; A184-R322 PolarHBondContact O-NH2 3.06Å; A320-R322 HydrophobicContact CB-CG 4.35Å; A320-R322 PolarHBondContact O-N 3.48Å
323N98.4Very high98.5Very high3 Ų316.8 Ų16.82%0.0168%0.077CC..EExtended strand (participates in β ladder)trans-144.5143.3171.168100000110.1R63 L181 C182 V183 A250 D321R63-N323 PolarHBondContact NH1-OD1 3.32Å; R63-N323 PolarHBondContact NH2-OD1 3.29Å; L181-N323 HydrophobicContact CD1-CB 4.34Å; C182-N323 CarbonylContact O-C 3.52Å; C182-N323 VanDerWaalsContact O-CA 3.27Å; C182-N323 WeakPolarHBondContact O-CA 3.4Å; V183-N323 HydrophobicContact CB-CB 4.41Å; V183-N323 HydrophobicContact CG1-CB 4.23Å; V183-N323 HydrophobicContact CG2-CB 3.96Å; A250-N323 HydrophobicContact CB-CB 4.22Å; A250-N323 PolarHBondContact O-OD1 3.22Å; A250-N323 VanDerWaalsContact O-OD1 3.13Å; D321-N323 PolarHBondContact O-N 3.47Å; D321-N323 PolarHBondContact OD1-ND2 3.27Å; D321-N323 VanDerWaalsContact OD1-ND2 3.15Å
324I98.8Very high98.5Very high0 Ų019.6 Ų19.60%09%0.088CC..EExtended strand (participates in β ladder)trans-144.2129.9-172.7-165.6173.3000109A54 D57 A58 C182 I335 E336 L338A54-I324 HydrophobicContact CB-CG2 3.72Å; A54-I324 WeakPolarHBondContact O-CG2 3.32Å; D57-I324 HydrophobicContact CB-CD1 3.63Å; A58-I324 HydrophobicContact CB-CB 4.37Å; A58-I324 HydrophobicContact CB-CG2 4.05Å; C182-I324 HydrophobicContact CB-CG2 3.79Å; C182-I324 PolarHBondContact N-O 2.89Å; C182-I324 PolarHBondContact O-N 3.22Å; I324-I335 HydrophobicContact CD1-CG2 3.4Å; I324-I335 VanDerWaalsContact CD1-CG2 3.4Å; I324-I335 HydrophobicContact CG1-CG2 4.07Å; I324-E336 WeakPolarHBondContact CA-OE2 3.34Å; I324-E336 HydrophobicContact CG1-CB 3.76Å; I324-E336 HydrophobicContact CG1-CG 4.32Å; I324-L338 HydrophobicContact CD1-CD1 3.85Å; I324-L338 HydrophobicContact CD1-CG 3.97Å; I324-L338 HydrophobicContact CG1-CD1 4.33Å; I324-L338 HydrophobicContact CG1-CD2 4.36Å; I324-L338 HydrophobicContact CG1-CG 4.3Å
325K98.8Very high98.5Very high31 Ų3119.6 Ų19.614%0.1359%0.088CC..EExtended strand (participates in β ladder)trans-81.4148.9172.1-64.1-179.3-174.1167.10110D17 T19 Y21 F180 L181 E336D17-K325 IonicContact OD1-NZ 3.87Å; D17-K325 PolarHBondContact OD1-NZ 3.43Å; T19-K325 HydrophobicContact CG2-CD 4.22Å; T19-K325 WeakPolarHBondContact OG1-CD 3.5Å; T19-K325 PolarHBondContact OG1-NZ 3.11Å; Y21-K325 HydrophobicContact CE1-CB 3.88Å; Y21-K325 WeakPolarHBondContact OH-CB 3.44Å; Y21-K325 WeakPolarHBondContact OH-CD 3.4Å; F180-K325 WeakPolarHBondContact O-CA 3.28Å; L181-K325 HydrophobicContact CD1-CG 4.11Å; K325-E336 HydrophobicContact CB-CB 4.16Å; K325-E336 PolarHBondContact N-OE2 3.14Å; K325-E336 VanDerWaalsContact O-CB 3.26Å; K325-E336 WeakPolarHBondContact O-CB 3.34Å; K325-E336 PolarHBondContact O-N 3.43Å
326A98.9Very high98.5Very high2 Ų220.2 Ų20.22%0.0179%0.091CC..EExtended strand (participates in β ladder)trans-144.4160.1170.200000110.3L50 F180 W334 I335L50-A326 HydrophobicContact CD1-CB 3.82Å; L50-A326 HydrophobicContact CD2-CB 3.92Å; L50-A326 HydrophobicContact CG-CB 3.87Å; F180-A326 HydrophobicContact CB-CB 4.21Å; F180-A326 PolarHBondContact N-O 3.35Å; F180-A326 PolarHBondContact O-N 3.23Å; A326-W334 CarbonylContact C-O 3.47Å; A326-W334 WeakPolarHBondContact CA-O 3.34Å; A326-W334 WeakPolarHBondContact CB-O 3.24Å; A326-I335 HydrophobicContact CB-CD1 3.59Å
327K98.8Very high98.5Very high45 Ų4524.1 Ų24.120%0.19611%0.108CC..EExtended strand (participates in β ladder)trans-151152.4172.761.9179.1-176.8171.70111.8Y178 K179 W334Y178-K327 CarbonylContact O-C 3.31Å; Y178-K327 WeakPolarHBondContact O-CA 3.31Å; K179-K327 HydrophobicContact CG-CB 4.27Å; K327-W334 HydrophobicContact CG-CB 3.73Å; K327-W334 HydrophobicContact CG-CG 4.2Å; K327-W334 PolarHBondContact N-O 3.42Å; K327-W334 PolarHBondContact O-N 3Å
328I98.9Very high98.5Very high0 Ų024.7 Ų24.70%011%0.11CC..EExtended strand (participates in β ladder)trans-118.1128.8170.5-53.9176.3000107.5V29 L40 V42 A46 L47 L50 E177 Y178 F180 G332 I333V29-I328 HydrophobicContact CG1-CG2 3.52Å; L40-I328 HydrophobicContact CD2-CG2 4.44Å; V42-I328 HydrophobicContact CG1-CD1 3.88Å; V42-I328 HydrophobicContact CG1-CG2 4.13Å; V42-I328 HydrophobicContact CG2-CG2 3.79Å; A46-I328 HydrophobicContact CB-CD1 4.11Å; L47-I328 HydrophobicContact CD2-CD1 3.79Å; L50-I328 HydrophobicContact CD1-CD1 3.84Å; L50-I328 HydrophobicContact CD1-CG1 3.61Å; E177-I328 WeakPolarHBondContact CA-O 3.27Å; Y178-I328 PolarHBondContact N-O 2.84Å; Y178-I328 PolarHBondContact O-N 2.88Å; F180-I328 HydrophobicContact CE2-CD1 4.14Å; F180-I328 HydrophobicContact CE2-CG1 4.18Å; I328-G332 WeakPolarHBondContact CA-O 3.35Å; I328-I333 HydrophobicContact CG1-CG1 4.34Å; I328-I333 HydrophobicContact CG1-CG2 4.46Å
329N98.6Very high98.5Very high10 Ų1024.8 Ų24.85%0.05311%0.109CC..EExtended strand (participates in β ladder)trans-142.1-171.3176.269.14.8000110.1E177 E331 G332 W334E177-N329 HydrophobicContact CG-CB 3.77Å; E177-N329 WeakPolarHBondContact OE1-CB 3.25Å; E177-N329 PolarHBondContact OE1-ND2 3.2Å; N329-E331 PolarHBondContact ND2-OE2 3.35Å; N329-E331 PolarHBondContact O-N 3.47Å; N329-E331 PolarHBondContact OD1-N 2.96Å; N329-E331 VanDerWaalsContact OD1-N 3.1Å; N329-E331 PolarHBondContact OD1-OE2 2.66Å; N329-G332 PolarHBondContact N-O 2.67Å; N329-G332 PolarHBondContact O-N 2.95Å; N329-G332 VanDerWaalsContact O-N 3.11Å; N329-G332 PolarHBondContact OD1-N 3.3Å; N329-G332 PolarHBondContact OD1-O 2.78Å; N329-W334 PolarHBondContact OD1-NE1 2.99Å
330R97.9Very high98.5Very high122 Ų12231.2 Ų31.246%0.4614%0.138SC..THydrogen-bonded Turntrans-63-20.8-177.969.5-176.764.1-153.4-2.4114V31 L40 D176V31-R330 HydrophobicContact CG1-CB 3.92Å; L40-R330 HydrophobicContact CD1-CB 4.4Å; D176-R330 IonicContact OD2-CZ 3.9Å; D176-R330 IonicContact OD2-NE 3.43Å; D176-R330 IonicContact OD2-NH2 2.76Å; D176-R330 PolarHBondContact OD2-NH2 2.89Å
331E98.2Very high98.5Very high95 Ų9534.7 Ų34.744%0.44416%0.156SC..THydrogen-bonded Turntrans-86.3-16.8177.7-63.179.2-158.900113.3N329 W334N329-E331 PolarHBondContact ND2-OE2 3.35Å; N329-E331 PolarHBondContact O-N 3.47Å; N329-E331 PolarHBondContact OD1-N 2.96Å; N329-E331 VanDerWaalsContact OD1-N 3.1Å; N329-E331 PolarHBondContact OD1-OE2 2.66Å; E331-W334 HydrophobicContact CB-CZ2 3.82Å
332G98.6Very high98.4Very high0 Ų034.7 Ų34.70%016%0.155CC..EExtended strand (participates in β ladder)trans135-152.8177.600000114.3T25 I328 N329T25-G332 WeakPolarHBondContact O-CA 3.3Å; I328-G332 WeakPolarHBondContact CA-O 3.35Å; N329-G332 PolarHBondContact N-O 2.67Å; N329-G332 PolarHBondContact O-N 2.95Å; N329-G332 VanDerWaalsContact O-N 3.11Å; N329-G332 PolarHBondContact OD1-N 3.3Å; N329-G332 PolarHBondContact OD1-O 2.78Å
333I98.9Very high98.2Very high0 Ų034.5 Ų34.50%016%0.155CC..EExtended strand (participates in β ladder)trans-99.6123.2-178.6-52.4178.4000109.1L24 T25 Y28 A46 L49 L50 I328 I335L24-I333 HydrophobicContact CB-CB 4.33Å; L24-I333 HydrophobicContact CB-CG2 4.31Å; L24-I333 WeakPolarHBondContact CB-O 3.44Å; L24-I333 HydrophobicContact CD2-CG2 4.1Å; L24-I333 PolarHBondContact N-O 3.13Å; T25-I333 HydrophobicContact CG2-CB 4.4Å; T25-I333 HydrophobicContact CG2-CD1 3.82Å; T25-I333 HydrophobicContact CG2-CG1 4.19Å; T25-I333 PolarHBondContact O-N 2.67Å; Y28-I333 HydrophobicContact CD2-CD1 4.16Å; A46-I333 HydrophobicContact CB-CD1 3.7Å; A46-I333 HydrophobicContact CB-CG1 4.37Å; L49-I333 HydrophobicContact CD2-CD1 4.23Å; L50-I333 HydrophobicContact CB-CG2 3.92Å; L50-I333 HydrophobicContact CD1-CG2 4.03Å; L50-I333 HydrophobicContact CG-CG2 4.2Å; I328-I333 HydrophobicContact CG1-CG1 4.34Å; I328-I333 HydrophobicContact CG1-CG2 4.46Å; I333-I335 HydrophobicContact CG2-CD1 4.47Å
334W98.9Very high98.1Very high59 Ų5939 Ų3922%0.22318%0.176CC..EExtended strand (participates in β ladder)trans-118.3134.9-178.1-58.884.4000111Y21 Y22 L23 A326 K327 N329 E331Y21-W334 HydrophobicContact CD1-CB 4.18Å; Y21-W334 HydrophobicContact CG-CB 4.39Å; Y22-W334 WeakPolarHBondContact O-CA 2.97Å; L23-W334 HydrophobicContact CB-CD2 4.43Å; L23-W334 HydrophobicContact CB-CE3 3.96Å; L23-W334 HydrophobicContact CB-CH2 4.02Å; L23-W334 HydrophobicContact CB-CZ2 4.48Å; L23-W334 HydrophobicContact CB-CZ3 3.75Å; L23-W334 HydrophobicContact CD1-CD2 4Å; L23-W334 HydrophobicContact CD1-CE3 4.38Å; L23-W334 HydrophobicContact CD1-CH2 4.23Å; L23-W334 HydrophobicContact CD1-CZ2 3.84Å; L23-W334 HydrophobicContact CD1-CZ3 4.49Å; A326-W334 CarbonylContact C-O 3.47Å; A326-W334 WeakPolarHBondContact CA-O 3.34Å; A326-W334 WeakPolarHBondContact CB-O 3.24Å; K327-W334 HydrophobicContact CG-CB 3.73Å; K327-W334 HydrophobicContact CG-CG 4.2Å; K327-W334 PolarHBondContact N-O 3.42Å; K327-W334 PolarHBondContact O-N 3Å; N329-W334 PolarHBondContact OD1-NE1 2.99Å; E331-W334 HydrophobicContact CB-CZ2 3.82Å
335I98.8Very high98Very high0 Ų040.8 Ų40.80%018%0.183CC..EExtended strand (participates in β ladder)trans-123.2139.7179.1-55-63.3000109.1Y21 Y22 L24 L50 Q53 I324 A326 I333 K337Y21-I335 CarbonylContact C-O 3.6Å; Y21-I335 WeakPolarHBondContact CA-O 3.39Å; Y22-I335 HydrophobicContact CD1-CB 4.14Å; Y22-I335 VanDerWaalsContact CD1-O 3.26Å; Y22-I335 WeakPolarHBondContact CD1-O 3.39Å; Y22-I335 HydrophobicContact CE1-CB 3.53Å; Y22-I335 HydrophobicContact CE1-CG2 3.63Å; Y22-I335 HydrophobicContact CE2-CB 4.19Å; Y22-I335 HydrophobicContact CE2-CG1 4.46Å; Y22-I335 PolarHBondContact N-O 3.44Å; Y22-I335 PolarHBondContact O-N 3.06Å; L24-I335 HydrophobicContact CB-CG1 4.24Å; L24-I335 HydrophobicContact CD2-CG1 4.16Å; L50-I335 HydrophobicContact CG-CD1 3.98Å; Q53-I335 HydrophobicContact CG-CG1 4.46Å; I324-I335 HydrophobicContact CD1-CG2 3.4Å; I324-I335 VanDerWaalsContact CD1-CG2 3.4Å; I324-I335 HydrophobicContact CG1-CG2 4.07Å; A326-I335 HydrophobicContact CB-CD1 3.59Å; I333-I335 HydrophobicContact CG2-CD1 4.47Å; I335-K337 PolarHBondContact O-N 3.44Å
336E98.8Very high97.9Very high13 Ų1339.5 Ų39.56%0.06118%0.177CC..EExtended strand (participates in β ladder)trans-58.2133.7175.1164.8173.8-158.500110.7T19 E20 Y21 R63 I324 K325 L338T19-E336 HydrophobicContact CG2-CB 3.72Å; T19-E336 HydrophobicContact CG2-CG 3.55Å; E20-E336 WeakPolarHBondContact O-CA 3.37Å; Y21-E336 HydrophobicContact CD1-CB 4.42Å; Y21-E336 HydrophobicContact CE1-CB 4.34Å; R63-E336 IonicContact CZ-OE1 3.83Å; R63-E336 IonicContact CZ-OE2 2.81Å; R63-E336 IonicContact NE-OE1 2.85Å; R63-E336 PolarHBondContact NE-OE1 3.02Å; R63-E336 IonicContact NE-OE2 3.66Å; R63-E336 IonicContact NH2-OE1 3.29Å; R63-E336 PolarHBondContact NH2-OE1 3.17Å; R63-E336 IonicContact NH2-OE2 2.96Å; R63-E336 PolarHBondContact NH2-OE2 3.13Å; I324-E336 WeakPolarHBondContact CA-OE2 3.34Å; I324-E336 HydrophobicContact CG1-CB 3.76Å; I324-E336 HydrophobicContact CG1-CG 4.32Å; K325-E336 HydrophobicContact CB-CB 4.16Å; K325-E336 PolarHBondContact N-OE2 3.14Å; K325-E336 VanDerWaalsContact O-CB 3.26Å; K325-E336 WeakPolarHBondContact O-CB 3.34Å; K325-E336 PolarHBondContact O-N 3.43Å; E336-L338 HydrophobicContact CG-CD2 4.14Å; E336-L338 PolarHBondContact O-N 3.29Å
337K98.5Very high97.6Very high84 Ų8440.3 Ų40.337%0.36518%0.182SC..PPolyproline II helixtrans-74.5117.1175.7-71.9-178.7-172.8175.60110.5E20 Y21 Y22 I335E20-K337 HydrophobicContact CG-CD 3.87Å; E20-K337 PolarHBondContact O-N 2.74Å; E20-K337 VanDerWaalsContact OE1-CD 3.3Å; E20-K337 WeakPolarHBondContact OE1-CD 3.38Å; E20-K337 WeakPolarHBondContact OE1-CE 3.41Å; E20-K337 IonicContact OE1-NZ 3.52Å; E20-K337 PolarHBondContact OE1-NZ 2.81Å; Y21-K337 WeakPolarHBondContact O-CE 3.48Å; Y22-K337 HydrophobicContact CD1-CG 3.85Å; Y22-K337 HydrophobicContact CG-CG 4.39Å; I335-K337 PolarHBondContact O-N 3.44Å
338L98.6Very high97.2Very high17 Ų1745.8 Ų45.89%0.08921%0.209CC..PPolyproline II helixtrans-93.9172.4169.3-57.2-172.6000111.3D57 M61 R63 I324 E336 H340D57-L338 HydrophobicContact CB-CD1 4.2Å; M61-L338 HydrophobicContact CB-CB 3.65Å; M61-L338 HydrophobicContact CB-CD1 4Å; M61-L338 HydrophobicContact CB-CG 4.5Å; R63-L338 HydrophobicContact CG-CD2 3.86Å; I324-L338 HydrophobicContact CD1-CD1 3.85Å; I324-L338 HydrophobicContact CD1-CG 3.97Å; I324-L338 HydrophobicContact CG1-CD1 4.33Å; I324-L338 HydrophobicContact CG1-CD2 4.36Å; I324-L338 HydrophobicContact CG1-CG 4.3Å; E336-L338 HydrophobicContact CG-CD2 4.14Å; E336-L338 PolarHBondContact O-N 3.29Å; L338-H340 PolarHBondContact O-N 2.67Å
339E98Very high96.8Very high14 Ų1452.4 Ų52.47%0.06524%0.24CC..  trans-80.2114.1-179.7179.563.9-10900111.8L62 P64 Q67 N341 P342 Q344 Y345L62-E339 WeakPolarHBondContact O-CB 3.34Å; L62-E339 PolarHBondContact O-N 2.82Å; P64-E339 HydrophobicContact CG-CB 4.15Å; Q67-E339 HydrophobicContact CG-CB 4.38Å; Q67-E339 HydrophobicContact CG-CG 4.49Å; E339-N341 WeakPolarHBondContact OE1-CA 3.31Å; E339-N341 PolarHBondContact OE1-N 3.43Å; E339-P342 HydrophobicContact CG-CB 3.91Å; E339-Q344 VanDerWaalsContact CD-NE2 3.29Å; E339-Q344 PolarHBondContact OE1-NE2 3.23Å; E339-Q344 PolarHBondContact OE2-NE2 3.47Å; E339-Y345 HydrophobicContact CG-CE2 3.8Å; E339-Y345 WeakPolarHBondContact OE2-CE2 3.47Å; E339-Y345 PolarHBondContact OE2-OH 2.87Å
340H97.1Very high96.3Very high144 Ų14454.3 Ų54.367%0.66725%0.249SC*.SBendtrans-90.3-15.8177.565.7-84.5000113.5M61 L338 P342M61-H340 HydrophobicContact SD-CB 4.22Å; L338-H340 PolarHBondContact O-N 2.67Å; H340-P342 VanDerWaalsContact C-CD 3.44Å
341N97.2Very high95.6Very high82 Ų8254.2 Ų54.244%0.43925%0.249SC..  trans-128.561.8179.6-175.724.9000111.4E339 G343 Q344E339-N341 WeakPolarHBondContact OE1-CA 3.31Å; E339-N341 PolarHBondContact OE1-N 3.43Å; N341-G343 PolarHBondContact O-N 3.37Å; N341-Q344 WeakPolarHBondContact O-CB 3.36Å; N341-Q344 WeakPolarHBondContact O-CG 3.3Å; N341-Q344 PolarHBondContact O-N 2.9Å; N341-Q344 VanDerWaalsContact O-N 3.17Å; N341-Q344 PolarHBondContact O-NE2 3.17Å
342P97Very high94.4Very high3 Ų358.4 Ų58.42%0.01927%0.269CS..G310 helixtrans-67-18.4-175.928-35.2000113.2Q67 S94 A98 E339 H340 Q344 Y345Q67-P342 HydrophobicContact CG-CB 4.44Å; S94-P342 VanDerWaalsContact C-CG 3.43Å; S94-P342 WeakPolarHBondContact O-CG 3.45Å; A98-P342 HydrophobicContact CB-CG 3.97Å; E339-P342 HydrophobicContact CG-CB 3.91Å; H340-P342 VanDerWaalsContact C-CD 3.44Å; P342-Q344 PolarHBondContact O-N 3.44Å; P342-Q344 VanDerWaalsContact O-N 3.13Å; P342-Y345 WeakPolarHBondContact O-CD2 3.46Å; P342-Y345 PolarHBondContact O-N 3Å
343G95Very high93.1Very high0 Ų060 Ų600%028%0.282CS..G310 helixtrans-57.5-25.1173.400000113.1N341 Y345 I346 R351N341-G343 PolarHBondContact O-N 3.37Å; G343-Y345 PolarHBondContact O-N 3.1Å; G343-Y345 VanDerWaalsContact O-N 3.1Å; G343-I346 PolarHBondContact O-N 2.69Å; G343-R351 VanDerWaalsContact O-CZ 3.3Å; G343-R351 PolarHBondContact O-NE 3.41Å; G343-R351 PolarHBondContact O-NH2 3.43Å
344Q96.7Very high91.8Very high99 Ų9963.2 Ų63.246%0.46332%0.315SS..G310 helixtrans-57.1-24.8174.979.7-173.8-81.900113.5E339 N341 P342E339-Q344 VanDerWaalsContact CD-NE2 3.29Å; E339-Q344 PolarHBondContact OE1-NE2 3.23Å; E339-Q344 PolarHBondContact OE2-NE2 3.47Å; N341-Q344 WeakPolarHBondContact O-CB 3.36Å; N341-Q344 WeakPolarHBondContact O-CG 3.3Å; N341-Q344 PolarHBondContact O-N 2.9Å; N341-Q344 VanDerWaalsContact O-N 3.17Å; N341-Q344 PolarHBondContact O-NE2 3.17Å; P342-Q344 PolarHBondContact O-N 3.44Å; P342-Q344 VanDerWaalsContact O-N 3.13Å
345Y97Very high90.4Very high37 Ų3762.8 Ų62.815%0.14532%0.316CS..G310 helixtrans-87.2-3.1179.5-57.9-63.7000113.9Q67 K68 E339 P342 G343Q67-Y345 HydrophobicContact CB-CD2 3.62Å; Q67-Y345 HydrophobicContact CB-CE2 3.62Å; Q67-Y345 HydrophobicContact CB-CG 4.45Å; Q67-Y345 HydrophobicContact CG-CD2 4.42Å; Q67-Y345 HydrophobicContact CG-CE2 4.33Å; K68-Y345 HydrophobicContact CD-CE1 4.32Å; K68-Y345 WeakPolarHBondContact CE-OH 3.17Å; K68-Y345 HydrophobicContact CG-CD1 4.14Å; K68-Y345 HydrophobicContact CG-CE1 3.51Å; E339-Y345 HydrophobicContact CG-CE2 3.8Å; E339-Y345 WeakPolarHBondContact OE2-CE2 3.47Å; E339-Y345 PolarHBondContact OE2-OH 2.87Å; P342-Y345 WeakPolarHBondContact O-CD2 3.46Å; P342-Y345 PolarHBondContact O-N 3Å; G343-Y345 PolarHBondContact O-N 3.1Å; G343-Y345 VanDerWaalsContact O-N 3.1Å
346I96.1Very high89.1Confident3 Ų365.7 Ų65.72%0.01535%0.346CS..SBendtrans-94.4118175.8-52.2174000109.1L88 L91 R92 G343 L350 R351L88-I346 HydrophobicContact CD1-CG2 3.67Å; L91-I346 HydrophobicContact CB-CD1 3.81Å; L91-I346 HydrophobicContact CB-CG1 3.54Å; L91-I346 HydrophobicContact CD1-CG1 4.1Å; L91-I346 HydrophobicContact CG-CG1 4.4Å; R92-I346 HydrophobicContact CG-CD1 4.07Å; G343-I346 PolarHBondContact O-N 2.69Å; I346-L350 HydrophobicContact CG2-CB 4.23Å; I346-R351 HydrophobicContact CB-CG 3.93Å; I346-R351 HydrophobicContact CG2-CG 3.54Å; I346-R351 PolarHBondContact O-NE 2.85Å
347P92.7Very high88.2Confident19 Ų1974.1 Ų74.112%0.12339%0.385CS..  trans-55.2142.4173.9-24.734.5000111.9L74 E349 L350 R351L74-P347 HydrophobicContact CD1-CG 4.35Å; P347-E349 VanDerWaalsContact CB-CD 3.44Å; P347-E349 HydrophobicContact CB-CG 4.32Å; P347-E349 WeakPolarHBondContact CB-OE1 3.34Å; P347-E349 WeakPolarHBondContact CB-OE2 3.46Å; P347-E349 PolarHBondContact O-N 3.13Å; P347-L350 HydrophobicContact CG-CD1 4.28Å; P347-L350 PolarHBondContact O-N 2.85Å; P347-R351 PolarHBondContact O-N 3.3Å
348Q89.3Confident87.8Confident161 Ų16171.7 Ų71.775%0.75238%0.381SS*.Hα-helixtrans-57.6-38.7-171.8-175.1176.21.400112.3L350 R351Q348-L350 VanDerWaalsContact C-N 3.29Å; Q348-L350 PolarHBondContact O-N 2.92Å; Q348-R351 PolarHBondContact O-N 3.22Å
349E90.1Very high87.7Confident138 Ų13872.4 Ų72.465%0.64539%0.385SS*.Hα-helixtrans-63-30.5177.463.4-85.3-15800113.3P347P347-E349 VanDerWaalsContact CB-CD 3.44Å; P347-E349 HydrophobicContact CB-CG 4.32Å; P347-E349 WeakPolarHBondContact CB-OE1 3.34Å; P347-E349 WeakPolarHBondContact CB-OE2 3.46Å; P347-E349 PolarHBondContact O-N 3.13Å
350L89.6Confident87.6Confident50 Ų5079.2 Ų79.226%0.26242%0.415SS..Hα-helixtrans-90.2-17.5179.4-65.1-178.3000113.1L74 L88 R92 I346 P347 Q348 Q352 A353L74-L350 HydrophobicContact CB-CD1 4.45Å; L74-L350 HydrophobicContact CD1-CD1 4.03Å; L74-L350 HydrophobicContact CD2-CD1 4.24Å; L74-L350 HydrophobicContact CG-CD1 4.48Å; L88-L350 HydrophobicContact CD1-CB 3.93Å; L88-L350 HydrophobicContact CD1-CD1 4.5Å; L88-L350 HydrophobicContact CD2-CB 4.2Å; R92-L350 PolarHBondContact NH2-O 3.07Å; I346-L350 HydrophobicContact CG2-CB 4.23Å; P347-L350 HydrophobicContact CG-CD1 4.28Å; P347-L350 PolarHBondContact O-N 2.85Å; Q348-L350 VanDerWaalsContact C-N 3.29Å; Q348-L350 PolarHBondContact O-N 2.92Å; L350-Q352 PolarHBondContact O-N 2.95Å; L350-A353 HydrophobicContact CD2-CB 4.34Å; L350-A353 PolarHBondContact O-N 3.34Å
351R82Confident87.7Confident120 Ų12072.5 Ų72.545%0.45338%0.384SS..Hα-helixtrans-62.9-33.1176.6-68.8-171.9-171.4-171.24.5112.4G343 I346 P347 Q348G343-R351 VanDerWaalsContact O-CZ 3.3Å; G343-R351 PolarHBondContact O-NE 3.41Å; G343-R351 PolarHBondContact O-NH2 3.43Å; I346-R351 HydrophobicContact CB-CG 3.93Å; I346-R351 HydrophobicContact CG2-CG 3.54Å; I346-R351 PolarHBondContact O-NE 2.85Å; P347-R351 PolarHBondContact O-N 3.3Å; Q348-R351 PolarHBondContact O-N 3.22Å
352Q74.3Confident87.8Confident183 Ų18372.2 Ų72.286%0.85538%0.382SS*.SBendtrans-104.2-1.9-179.9-61.6-174.3-3.500113.6L350 G354L350-Q352 PolarHBondContact O-N 2.95Å; Q352-G354 PolarHBondContact O-N 3.15Å
353A71.5Confident87.8Confident35 Ų3572.1 Ų72.129%0.28938%0.382SS..  trans-64.5128.7179.100000110.7R92 L350R92-A353 PolarHBondContact NH2-O 2.95Å; L350-A353 HydrophobicContact CD2-CB 4.34Å; L350-A353 PolarHBondContact O-N 3.34Å
354G71.5Confident88Confident67 Ų6776.5 Ų76.569%0.69141%0.405SS*.  trans-65.6177.7169.800000111.9Q352 G356Q352-G354 PolarHBondContact O-N 3.15Å; G354-G356 PolarHBondContact O-N 3.28Å
355E69.3Low88.1Confident50 Ų5077 Ų7723%0.23440%0.403CS..  trans-69.1-14.4-178.8-58.4-162.4150.300113.2R382E355-R382 PolarHBondContact O-NH1 3.12Å; E355-R382 PolarHBondContact O-NH2 3.15Å
356G71Confident88.1Confident61 Ų6179 Ų7963%0.62942%0.421SS*.  trans84.9-167.2-173.700000112.3G354 A358G354-G356 PolarHBondContact O-N 3.28Å; G356-A358 PolarHBondContact O-N 3Å
357E80.5Confident88.2Confident190 Ų19080.1 Ų80.189%0.88843%0.426SS*.SBendtrans-72.2124.1-178.4-64.5-172168.100112.2R382E357-R382 VanDerWaalsContact N-NH2 3.11Å; E357-R382 PolarHBondContact O-NE 3.06Å; E357-R382 VanDerWaalsContact O-NE 3.12Å; E357-R382 PolarHBondContact O-NH2 3.49Å
358A90Very high88.5Confident33 Ų3387.6 Ų87.627%0.27346%0.457SS..  trans-141.1146.5174.900000109.5G356 K360 R382G356-A358 PolarHBondContact O-N 3Å; A358-K360 PolarHBondContact O-N 2.94Å; A358-R382 HydrophobicContact CB-CG 4.16Å
359V95.6Very high88.9Confident31 Ų3183.8 Ų83.819%0.18844%0.439CS..EExtended strand (participates in β ladder)trans-73.4119.7175.3178.40000108.4V361 Y377 T381 R382 L383 S384V359-V361 HydrophobicContact CG1-CG2 4.38Å; V359-Y377 HydrophobicContact CG1-CD2 4.45Å; V359-Y377 HydrophobicContact CG1-CE1 4.28Å; V359-Y377 HydrophobicContact CG1-CE2 3.74Å; V359-Y377 HydrophobicContact CG2-CD1 4.07Å; V359-Y377 HydrophobicContact CG2-CE1 3.63Å; V359-Y377 HydrophobicContact CG2-CE2 4.49Å; V359-T381 HydrophobicContact CG2-CG2 3.86Å; V359-R382 PolarHBondContact N-O 2.74Å; V359-L383 HydrophobicContact CB-CD2 3.93Å; V359-L383 HydrophobicContact CG1-CD2 4.39Å; V359-L383 CarbonylContact O-C 3.59Å; V359-L383 WeakPolarHBondContact O-CA 3.47Å; V359-S384 PolarHBondContact O-N 2.91Å
360K97.1Very high89.3Confident157 Ų15777.3 Ų77.368%0.68341%0.409SS*.EExtended strand (participates in β ladder)trans-75.8128175.9-66.2-172.5174.6-167.40110.4A358 Q373 S384A358-K360 PolarHBondContact O-N 2.94Å; K360-Q373 PolarHBondContact O-NE2 3.27Å; K360-S384 WeakPolarHBondContact CA-O 3.46Å
361V98.3Very high89.7Confident3 Ų376.2 Ų76.22%0.01840%0.403CS..EExtended strand (participates in β ladder)trans-123.4116.2178.4-172.80000108.8V359 L363 I370 L374 L383 S384 L385 T386V359-V361 HydrophobicContact CG1-CG2 4.38Å; V361-L363 HydrophobicContact CG1-CD2 3.97Å; V361-I370 HydrophobicContact CG1-CG2 3.9Å; V361-L374 HydrophobicContact CG2-CD2 4.18Å; V361-L383 HydrophobicContact CG2-CB 4.49Å; V361-L383 HydrophobicContact CG2-CD2 4.14Å; V361-S384 PolarHBondContact N-O 2.99Å; V361-L385 HydrophobicContact CB-CD2 3.87Å; V361-L385 HydrophobicContact CG1-CD2 4.49Å; V361-L385 HydrophobicContact CG2-CD2 4.12Å; V361-T386 PolarHBondContact O-N 3.45Å
362D98.4Very high90.5Very high76 Ų7673.3 Ų73.341%0.40640%0.404SS..EExtended strand (participates in β ladder)trans-83.7110.6172.4-1806000109.4N364 R365D362-N364 VanDerWaalsContact C-N 3.28Å; D362-N364 WeakPolarHBondContact OD1-CB 3.47Å; D362-N364 PolarHBondContact OD1-N 3.21Å; D362-R365 HydrophobicContact CB-CG 4.4Å
363L98.6Very high91.7Very high2 Ų266.3 Ų66.31%0.0137%0.372CS..SBendtrans-80.8-7.8-178.9-57.5-177.4000113V361 R365 I370 L385 T386 I389 P418V361-L363 HydrophobicContact CG1-CD2 3.97Å; L363-R365 PolarHBondContact O-N 3.01Å; L363-I370 HydrophobicContact CD2-CG2 4.25Å; L363-I370 WeakPolarHBondContact O-CD1 3.42Å; L363-L385 HydrophobicContact CD1-CB 3.93Å; L363-L385 HydrophobicContact CG-CB 4.3Å; L363-T386 WeakPolarHBondContact CB-O 3.26Å; L363-T386 PolarHBondContact N-O 3Å; L363-I389 HydrophobicContact CD1-CD1 3.77Å; L363-I389 HydrophobicContact CD1-CG1 3.51Å; L363-P418 HydrophobicContact CD1-CG 4.22Å; L363-P418 HydrophobicContact CD2-CG 4Å
364N98.3Very high93Very high92 Ų9264.7 Ų64.749%0.49236%0.358SS..SBendtrans-90.128.4177.8-68.4-19.6000112.5D362 G387 T388D362-N364 VanDerWaalsContact C-N 3.28Å; D362-N364 WeakPolarHBondContact OD1-CB 3.47Å; D362-N364 PolarHBondContact OD1-N 3.21Å; N364-G387 WeakPolarHBondContact OD1-CA 3.34Å; N364-T388 PolarHBondContact OD1-N 3.31Å; N364-T388 PolarHBondContact OD1-OG1 2.83Å
365R98Very high94.2Very high108 Ų10863.3 Ų63.341%0.40834%0.338SS..SBendtrans-108.3160.5172.8-65.9-17566.5175.54.4110.3D362 L363 M367 E369 I370D362-R365 HydrophobicContact CB-CG 4.4Å; L363-R365 PolarHBondContact O-N 3.01Å; R365-M367 PolarHBondContact O-N 2.94Å; R365-E369 HydrophobicContact CB-CB 4.44Å; R365-E369 IonicContact CZ-OE2 3.11Å; R365-E369 IonicContact NE-OE2 2.84Å; R365-E369 PolarHBondContact NE-OE2 3.32Å; R365-E369 IonicContact NH2-OE2 2.65Å; R365-E369 PolarHBondContact NH2-OE2 3.47Å; R365-I370 HydrophobicContact CB-CG1 4.1Å; R365-I370 WeakPolarHBondContact O-CD1 3.31Å
366P97.9Very high95.6Very high81 Ų8167.6 Ų67.653%0.52636%0.358SS..  trans-52.4134.6171.8-25.734.3000111.5K368 E369 I370P366-K368 PolarHBondContact O-N 3.32Å; P366-E369 HydrophobicContact CB-CG 4.33Å; P366-E369 WeakPolarHBondContact O-CA 3.19Å; P366-E369 WeakPolarHBondContact O-CB 3.34Å; P366-E369 PolarHBondContact O-N 3.43Å; P366-I370 PolarHBondContact O-N 2.9Å
367M98.4Very high96.8Very high25 Ų2568 Ų6812%0.12334%0.341CS..Hα-helixtrans-46.8-40.7-176.4-178.758.865.900113.3R365 E369 I370 L371 D416 M458 I459R365-M367 PolarHBondContact O-N 2.94Å; M367-E369 VanDerWaalsContact C-N 3.29Å; M367-E369 PolarHBondContact O-N 3.41Å; M367-I370 PolarHBondContact O-N 2.85Å; M367-L371 HydrophobicContact CG-CD1 4.04Å; M367-L371 HydrophobicContact CG-CG 4.33Å; M367-L371 VanDerWaalsContact O-CG 3.29Å; M367-L371 WeakPolarHBondContact O-CG 3.18Å; M367-L371 PolarHBondContact O-N 2.86Å; M367-L371 HydrophobicContact SD-CD1 4.46Å; M367-L371 HydrophobicContact SD-CG 4.21Å; M367-D416 WeakPolarHBondContact CE-O 3.45Å; M367-M458 HydrophobicContact CG-CB 4.23Å; M367-M458 HydrophobicContact SD-CB 4.11Å; M367-I459 HydrophobicContact CE-CD1 4.5Å; M367-I459 HydrophobicContact SD-CD1 3.57Å; M367-I459 VanDerWaalsContact SD-CD1 3.57Å; M367-I459 HydrophobicContact SD-CG1 3.82Å
368K97.9Very high97.5Very high177 Ų17762.8 Ų62.877%0.7732%0.324SS*.Hα-helixtrans-58.2-37.3177.1-173.4178.2179.5-179.70113.4P366 A372P366-K368 PolarHBondContact O-N 3.32Å; K368-A372 WeakPolarHBondContact O-CB 3.42Å; K368-A372 PolarHBondContact O-N 2.82Å; K368-A372 VanDerWaalsContact O-N 3.08Å
369E98.4Very high97.7Very high80 Ų8061.5 Ų61.537%0.37431%0.312SS..Hα-helixtrans-73.6-38.7178.4-62.4-179.7-168.800111.4R365 P366 M367 A372 Q373R365-E369 HydrophobicContact CB-CB 4.44Å; R365-E369 IonicContact CZ-OE2 3.11Å; R365-E369 IonicContact NE-OE2 2.84Å; R365-E369 PolarHBondContact NE-OE2 3.32Å; R365-E369 IonicContact NH2-OE2 2.65Å; R365-E369 PolarHBondContact NH2-OE2 3.47Å; P366-E369 HydrophobicContact CB-CG 4.33Å; P366-E369 WeakPolarHBondContact O-CA 3.19Å; P366-E369 WeakPolarHBondContact O-CB 3.34Å; P366-E369 PolarHBondContact O-N 3.43Å; M367-E369 VanDerWaalsContact C-N 3.29Å; M367-E369 PolarHBondContact O-N 3.41Å; E369-A372 PolarHBondContact O-N 2.78Å; E369-Q373 PolarHBondContact O-N 3.15Å
370I98.6Very high97.4Very high2 Ų262.9 Ų62.91%0.0132%0.323CS..Hα-helixtrans-62.3-49.2175.3-53.8170.9000109.7V361 L363 R365 P366 M367 A372 Q373 L374 I459V361-I370 HydrophobicContact CG1-CG2 3.9Å; L363-I370 HydrophobicContact CD2-CG2 4.25Å; L363-I370 WeakPolarHBondContact O-CD1 3.42Å; R365-I370 HydrophobicContact CB-CG1 4.1Å; R365-I370 WeakPolarHBondContact O-CD1 3.31Å; P366-I370 PolarHBondContact O-N 2.9Å; M367-I370 PolarHBondContact O-N 2.85Å; I370-A372 VanDerWaalsContact C-N 3.32Å; I370-A372 PolarHBondContact O-N 2.65Å; I370-Q373 WeakPolarHBondContact O-CB 3.32Å; I370-Q373 PolarHBondContact O-N 3.44Å; I370-Q373 VanDerWaalsContact O-N 3.14Å; I370-L374 HydrophobicContact CG2-CD1 4.31Å; I370-L374 HydrophobicContact CG2-CG 4.45Å; I370-L374 WeakPolarHBondContact O-CG 3.48Å; I370-L374 PolarHBondContact O-N 2.83Å; I370-I459 HydrophobicContact CB-CD1 4.08Å; I370-I459 HydrophobicContact CG2-CD1 3.42Å; I370-I459 VanDerWaalsContact CG2-CD1 3.42Å
371L98.6Very high97.1Very high28 Ų2856.4 Ų56.415%0.14730%0.297CS..Hα-helixtrans-58.3-42.8176.6-67.3172.3000111.9M367 Q373 L374 S375 M458 I459 F480M367-L371 HydrophobicContact CG-CD1 4.04Å; M367-L371 HydrophobicContact CG-CG 4.33Å; M367-L371 VanDerWaalsContact O-CG 3.29Å; M367-L371 WeakPolarHBondContact O-CG 3.18Å; M367-L371 PolarHBondContact O-N 2.86Å; M367-L371 HydrophobicContact SD-CD1 4.46Å; M367-L371 HydrophobicContact SD-CG 4.21Å; L371-Q373 VanDerWaalsContact C-N 3.32Å; L371-Q373 PolarHBondContact O-N 3Å; L371-L374 PolarHBondContact O-N 2.91Å; L371-S375 WeakPolarHBondContact O-CB 3.39Å; L371-S375 PolarHBondContact O-N 2.81Å; L371-M458 HydrophobicContact CD1-CB 4.18Å; L371-M458 HydrophobicContact CD1-CE 4.17Å; L371-M458 HydrophobicContact CD2-CB 4.32Å; L371-I459 HydrophobicContact CD2-CD1 3.99Å; L371-I459 HydrophobicContact CD2-CG1 3.6Å; L371-I459 HydrophobicContact CG-CD1 4.49Å; L371-F480 HydrophobicContact CB-CE2 4.44Å; L371-F480 HydrophobicContact CD2-CD2 3.5Å; L371-F480 VanDerWaalsContact CD2-CD2 3.5Å; L371-F480 HydrophobicContact CD2-CE2 3.82Å
372A98.5Very high96.8Very high58 Ų5858.8 Ų58.848%0.47931%0.306SS..Hα-helixtrans-63.4-35.917700000112.7K368 E369 I370K368-A372 WeakPolarHBondContact O-CB 3.42Å; K368-A372 PolarHBondContact O-N 2.82Å; K368-A372 VanDerWaalsContact O-N 3.08Å; E369-A372 PolarHBondContact O-N 2.78Å; I370-A372 VanDerWaalsContact C-N 3.32Å; I370-A372 PolarHBondContact O-N 2.65Å
373Q98.6Very high96.7Very high36 Ų3655.2 Ų55.217%0.16829%0.286CS..Hα-helixtrans-67.2-49.3172.4-177.5-178.2-1.900111K360 E369 I370 L371 S375 Q376 Y377K360-Q373 PolarHBondContact O-NE2 3.27Å; E369-Q373 PolarHBondContact O-N 3.15Å; I370-Q373 WeakPolarHBondContact O-CB 3.32Å; I370-Q373 PolarHBondContact O-N 3.44Å; I370-Q373 VanDerWaalsContact O-N 3.14Å; L371-Q373 VanDerWaalsContact C-N 3.32Å; L371-Q373 PolarHBondContact O-N 3Å; Q373-S375 VanDerWaalsContact C-N 3.26Å; Q373-S375 PolarHBondContact O-N 3.42Å; Q373-Q376 WeakPolarHBondContact O-CB 3.45Å; Q373-Q376 PolarHBondContact O-N 3.11Å; Q373-Q376 VanDerWaalsContact O-N 3.14Å; Q373-Y377 HydrophobicContact CG-CE2 4.29Å; Q373-Y377 VanDerWaalsContact O-CD2 3.28Å; Q373-Y377 WeakPolarHBondContact O-CD2 3.19Å; Q373-Y377 WeakPolarHBondContact O-CE2 3.39Å
374L98.5Very high96.6Very high1 Ų155.3 Ų55.31%0.00529%0.288CS..Hα-helixtrans-60.2-36.8-179.4-67180000112.2V361 I370 L371 Q376 Y377 L383 I459 F480 I525V361-L374 HydrophobicContact CG2-CD2 4.18Å; I370-L374 HydrophobicContact CG2-CD1 4.31Å; I370-L374 HydrophobicContact CG2-CG 4.45Å; I370-L374 WeakPolarHBondContact O-CG 3.48Å; I370-L374 PolarHBondContact O-N 2.83Å; L371-L374 PolarHBondContact O-N 2.91Å; L374-Q376 PolarHBondContact O-N 3.01Å; L374-Q376 VanDerWaalsContact O-N 3.09Å; L374-Y377 PolarHBondContact O-N 3.43Å; L374-Y377 VanDerWaalsContact O-N 3.07Å; L374-L383 HydrophobicContact CD2-CD1 3.71Å; L374-L383 HydrophobicContact CD2-CD2 4.38Å; L374-I459 HydrophobicContact CD1-CD1 3.72Å; L374-I459 HydrophobicContact CD1-CG1 4.13Å; L374-I459 HydrophobicContact CD1-CG2 4.46Å; L374-F480 HydrophobicContact CB-CD1 3.93Å; L374-F480 HydrophobicContact CB-CD2 4.16Å; L374-F480 HydrophobicContact CB-CE1 3.71Å; L374-F480 HydrophobicContact CB-CE2 3.96Å; L374-F480 HydrophobicContact CB-CG 4.16Å; L374-F480 HydrophobicContact CB-CZ 3.73Å; L374-F480 HydrophobicContact CD1-CB 4.18Å; L374-F480 HydrophobicContact CD1-CD1 4.38Å; L374-F480 HydrophobicContact CD1-CD2 4.11Å; L374-F480 HydrophobicContact CD1-CG 3.96Å; L374-I525 HydrophobicContact CD2-CD1 4.37Å
375S98.4Very high96.6Very high38 Ų3851.1 Ų51.127%0.26627%0.265SS..THydrogen-bonded Turntrans-62.7-16.2178.9-165.30000114.1L371 Q373 Y377 D529 K530L371-S375 WeakPolarHBondContact O-CB 3.39Å; L371-S375 PolarHBondContact O-N 2.81Å; Q373-S375 VanDerWaalsContact C-N 3.26Å; Q373-S375 PolarHBondContact O-N 3.42Å; S375-Y377 PolarHBondContact O-N 3.13Å; S375-D529 VanDerWaalsContact CB-OD2 3.26Å; S375-D529 WeakPolarHBondContact CB-OD2 3.27Å; S375-D529 PolarHBondContact OG-OD1 3.02Å; S375-D529 PolarHBondContact OG-OD2 3.28Å; S375-K530 PolarHBondContact O-NZ 3.29Å; S375-K530 PolarHBondContact OG-NZ 3.13Å
376Q98.1Very high96.6Very high140 Ų14048.4 Ų48.465%0.65426%0.261SS*.THydrogen-bonded Turntrans-74.2-15.5176-61.2172.35.300113Q373 L374Q373-Q376 WeakPolarHBondContact O-CB 3.45Å; Q373-Q376 PolarHBondContact O-N 3.11Å; Q373-Q376 VanDerWaalsContact O-N 3.14Å; L374-Q376 PolarHBondContact O-N 3.01Å; L374-Q376 VanDerWaalsContact O-N 3.09Å
377Y97Very high96.6Very high71 Ų7144.7 Ų44.728%0.27824%0.237SC..SBendtrans-116.6145.3-170.1-60.5-79.1000111.9V359 Q373 L374 S375 T381V359-Y377 HydrophobicContact CG1-CD2 4.45Å; V359-Y377 HydrophobicContact CG1-CE1 4.28Å; V359-Y377 HydrophobicContact CG1-CE2 3.74Å; V359-Y377 HydrophobicContact CG2-CD1 4.07Å; V359-Y377 HydrophobicContact CG2-CE1 3.63Å; V359-Y377 HydrophobicContact CG2-CE2 4.49Å; Q373-Y377 HydrophobicContact CG-CE2 4.29Å; Q373-Y377 VanDerWaalsContact O-CD2 3.28Å; Q373-Y377 WeakPolarHBondContact O-CD2 3.19Å; Q373-Y377 WeakPolarHBondContact O-CE2 3.39Å; L374-Y377 PolarHBondContact O-N 3.43Å; L374-Y377 VanDerWaalsContact O-N 3.07Å; S375-Y377 PolarHBondContact O-N 3.13Å; Y377-T381 HydrophobicContact CD1-CG2 3.95Å; Y377-T381 HydrophobicContact CG-CG2 4.03Å
378P94.8Very high96.6Very high80 Ų8044 Ų4452%0.51923%0.234SC..  trans-75.7166.1174.432.6-36.1000111.7T381P378-T381 WeakPolarHBondContact CD-OG1 3.48Å; P378-T381 WeakPolarHBondContact O-CB 3.21Å; P378-T381 PolarHBondContact O-N 3.34Å; P378-T381 PolarHBondContact O-OG1 3.34Å
379V93.9Very high96.7Very high5 Ų535.5 Ų35.53%0.0320%0.197CC..THydrogen-bonded Turntrans-52.6155.5161.4-60.90000110.8T381 I525 D528 N532 F534 Q537V379-T381 VanDerWaalsContact C-N 3.26Å; V379-T381 PolarHBondContact O-N 2.9Å; V379-I525 CarbonylContact C-O 3.49Å; V379-I525 VanDerWaalsContact CA-O 3.31Å; V379-I525 WeakPolarHBondContact CA-O 3.41Å; V379-I525 HydrophobicContact CG1-CG2 4.27Å; V379-D528 HydrophobicContact CG1-CB 4.14Å; V379-N532 HydrophobicContact CG1-CB 3.84Å; V379-N532 HydrophobicContact CG2-CB 4.29Å; V379-F534 HydrophobicContact CB-CB 4.31Å; V379-Q537 VanDerWaalsContact CG2-NE2 3.35Å
380S88.7Confident96.7Very high60 Ų6031.8 Ų31.842%0.4218%0.18SC..THydrogen-bonded Turntrans74.5-8.7-167.676.80000116.7R382 I525S380-R382 PolarHBondContact O-N 3.44Å; S380-I525 PolarHBondContact N-O 3.11Å
381T91.9Very high96.7Very high22 Ų2231.7 Ų31.714%0.13518%0.179CC..  trans-63.7128.8177-57.80000111V359 Y377 P378 V379 L383 F524 I525V359-T381 HydrophobicContact CG2-CG2 3.86Å; Y377-T381 HydrophobicContact CD1-CG2 3.95Å; Y377-T381 HydrophobicContact CG-CG2 4.03Å; P378-T381 WeakPolarHBondContact CD-OG1 3.48Å; P378-T381 WeakPolarHBondContact O-CB 3.21Å; P378-T381 PolarHBondContact O-N 3.34Å; P378-T381 PolarHBondContact O-OG1 3.34Å; V379-T381 VanDerWaalsContact C-N 3.26Å; V379-T381 PolarHBondContact O-N 2.9Å; T381-L383 HydrophobicContact CG2-CD2 4.1Å; T381-F524 CarbonylContact O-C 3.5Å; T381-F524 VanDerWaalsContact O-CA 3.31Å; T381-F524 WeakPolarHBondContact O-CA 3.39Å; T381-I525 PolarHBondContact O-N 2.71Å
382R91.9Very high96.6Very high52 Ų5230.4 Ų30.420%0.19617%0.173CC..EExtended strand (participates in β ladder)trans-84.1132.5175.7-171.2169.864.8161.98111.4E355 E357 A358 V359 S380 F524E355-R382 PolarHBondContact O-NH1 3.12Å; E355-R382 PolarHBondContact O-NH2 3.15Å; E357-R382 VanDerWaalsContact N-NH2 3.11Å; E357-R382 PolarHBondContact O-NE 3.06Å; E357-R382 VanDerWaalsContact O-NE 3.12Å; E357-R382 PolarHBondContact O-NH2 3.49Å; A358-R382 HydrophobicContact CB-CG 4.16Å; V359-R382 PolarHBondContact N-O 2.74Å; S380-R382 PolarHBondContact O-N 3.44Å; R382-F524 HydrophobicContact CB-CD1 3.99Å; R382-F524 HydrophobicContact CB-CE1 3.81Å; R382-F524 HydrophobicContact CG-CD1 4.23Å; R382-F524 HydrophobicContact CG-CE1 3.82Å; R382-F524 HydrophobicContact CG-CZ 4.11Å
383L95.4Very high96.6Very high1 Ų128.6 Ų28.61%0.00515%0.154CC..EExtended strand (participates in β ladder)trans-118148.3-176.8-50.7179.8000110.5V359 V361 L374 T381 L385 L482 A523 I525V359-L383 HydrophobicContact CB-CD2 3.93Å; V359-L383 HydrophobicContact CG1-CD2 4.39Å; V359-L383 CarbonylContact O-C 3.59Å; V359-L383 WeakPolarHBondContact O-CA 3.47Å; V361-L383 HydrophobicContact CG2-CB 4.49Å; V361-L383 HydrophobicContact CG2-CD2 4.14Å; L374-L383 HydrophobicContact CD2-CD1 3.71Å; L374-L383 HydrophobicContact CD2-CD2 4.38Å; T381-L383 HydrophobicContact CG2-CD2 4.1Å; L383-L385 HydrophobicContact CB-CD2 3.75Å; L383-L385 HydrophobicContact CB-CG 4.48Å; L383-L385 HydrophobicContact CD1-CD2 3.97Å; L383-L482 HydrophobicContact CD1-CD1 3.98Å; L383-L482 HydrophobicContact CD1-CD2 3.65Å; L383-L482 HydrophobicContact CD1-CG 4.42Å; L383-A523 HydrophobicContact CB-CB 4.44Å; L383-A523 PolarHBondContact N-O 3.11Å; L383-A523 PolarHBondContact O-N 2.87Å; L383-I525 HydrophobicContact CD1-CD1 4.46Å; L383-I525 HydrophobicContact CD1-CG1 3.82Å; L383-I525 HydrophobicContact CD2-CD1 4.32Å; L383-I525 HydrophobicContact CD2-CG1 4.28Å; L383-I525 HydrophobicContact CG-CG1 4.19Å
384S96.1Very high96.5Very high5 Ų528.9 Ų28.94%0.03516%0.156CC..EExtended strand (participates in β ladder)trans-117111.7164162.60000107V359 K360 V361 D520V359-S384 PolarHBondContact O-N 2.91Å; K360-S384 WeakPolarHBondContact CA-O 3.46Å; V361-S384 PolarHBondContact N-O 2.99Å; S384-D520 WeakPolarHBondContact OG-CA 3.42Å; S384-D520 PolarHBondContact OG-OD1 3.23Å; S384-D520 VanDerWaalsContact OG-OD1 3.06Å
385L98.1Very high96.3Very high3 Ų330.8 Ų30.82%0.01617%0.166CC..EExtended strand (participates in β ladder)trans-98.8133-173.6-44.3175.8000110.5V361 L363 L383 L461 L482 D520 F521 A523V361-L385 HydrophobicContact CB-CD2 3.87Å; V361-L385 HydrophobicContact CG1-CD2 4.49Å; V361-L385 HydrophobicContact CG2-CD2 4.12Å; L363-L385 HydrophobicContact CD1-CB 3.93Å; L363-L385 HydrophobicContact CG-CB 4.3Å; L383-L385 HydrophobicContact CB-CD2 3.75Å; L383-L385 HydrophobicContact CB-CG 4.48Å; L383-L385 HydrophobicContact CD1-CD2 3.97Å; L385-L461 HydrophobicContact CD1-CD1 4.32Å; L385-L461 HydrophobicContact CD1-CD2 4.17Å; L385-L482 HydrophobicContact CD1-CD1 4Å; L385-L482 HydrophobicContact CD2-CD1 4.26Å; L385-D520 PolarHBondContact O-N 2.95Å; L385-F521 HydrophobicContact CB-CB 4.2Å; L385-F521 HydrophobicContact CD1-CD1 4.37Å; L385-F521 PolarHBondContact N-O 3.49Å; L385-F521 PolarHBondContact O-N 3.26Å; L385-A523 HydrophobicContact CD1-CB 3.87Å; L385-A523 HydrophobicContact CG-CB 4.26Å
386T98.7Very high96.3Very high52 Ų5229 Ų2932%0.31915%0.153SC..EExtended strand (participates in β ladder)trans-132.5131.4175.5-660000110.1V361 L363 V518 E519 D520V361-T386 PolarHBondContact O-N 3.45Å; L363-T386 WeakPolarHBondContact CB-O 3.26Å; L363-T386 PolarHBondContact N-O 3Å; T386-V518 CarbonylContact C-O 3.57Å; T386-V518 WeakPolarHBondContact CA-O 3.47Å; T386-E519 HydrophobicContact CG2-CG 4.22Å; T386-D520 PolarHBondContact OG1-N 3.12Å
387G98.5Very high96.3Very high2 Ų222.3 Ų22.32%0.02112%0.122CC..EExtended strand (participates in β ladder)trans129.4-159.517700000113.7N364 V518N364-G387 WeakPolarHBondContact OD1-CA 3.34Å; G387-V518 PolarHBondContact N-O 2.93Å; G387-V518 WeakPolarHBondContact O-CG2 3.19Å; G387-V518 PolarHBondContact O-N 3.29Å
388T98.6Very high96.3Very high10 Ų1020.4 Ų20.46%0.06112%0.121CC..EExtended strand (participates in β ladder)trans-78.3136.1-175.8-57.90000112.8N364 K515 I516 E517N364-T388 PolarHBondContact OD1-N 3.31Å; N364-T388 PolarHBondContact OD1-OG1 2.83Å; T388-K515 HydrophobicContact CG2-CD 3.95Å; T388-K515 VanDerWaalsContact CG2-CE 3.4Å; T388-K515 HydrophobicContact CG2-CG 3.79Å; T388-I516 WeakPolarHBondContact CA-O 3.42Å; T388-E517 PolarHBondContact N-OE2 2.64Å; T388-E517 VanDerWaalsContact OG1-CD 3.32Å; T388-E517 PolarHBondContact OG1-OE1 3.29Å; T388-E517 PolarHBondContact OG1-OE2 2.84Å
389I98.7Very high96.4Very high0 Ų019.4 Ų19.40%011%0.108CC..EExtended strand (participates in β ladder)trans-132.2139.1171.2-60.9176.9000109.8L363 Y420 L461 I516 V518L363-I389 HydrophobicContact CD1-CD1 3.77Å; L363-I389 HydrophobicContact CD1-CG1 3.51Å; I389-Y420 HydrophobicContact CG2-CG 4.46Å; I389-L461 HydrophobicContact CD1-CD2 3.97Å; I389-I516 HydrophobicContact CB-CD1 4.2Å; I389-I516 HydrophobicContact CB-CG1 3.78Å; I389-I516 HydrophobicContact CG2-CD1 4.39Å; I389-I516 HydrophobicContact CG2-CG1 4.34Å; I389-I516 PolarHBondContact N-O 3.41Å; I389-I516 PolarHBondContact O-N 2.95Å; I389-V518 HydrophobicContact CD1-CG1 4.24Å; I389-V518 HydrophobicContact CD1-CG2 3.58Å; I389-V518 HydrophobicContact CG1-CG2 4.2Å
390I98.7Very high96.5Very high1 Ų119.2 Ų19.21%0.00511%0.107CC..EExtended strand (participates in β ladder)trans-91.3130.8169.9-64.5-62.2000109.6Y413 I414 H417 P418 I419 Y420 I513 W514 K515I390-Y413 HydrophobicContact CD1-CD2 4.03Å; I390-Y413 HydrophobicContact CD1-CG 4.33Å; I390-Y413 HydrophobicContact CG1-CD2 4.1Å; I390-Y413 WeakPolarHBondContact CG1-O 3.35Å; I390-Y413 HydrophobicContact CG2-CD2 4.13Å; I390-Y413 HydrophobicContact CG2-CE2 4.46Å; I390-I414 HydrophobicContact CG2-CD1 3.92Å; I390-H417 HydrophobicContact CG1-CB 3.93Å; I390-P418 PolarHBondContact N-O 2.8Å; I390-I419 CarbonylContact O-C 3.56Å; I390-I419 VanDerWaalsContact O-CA 3.27Å; I390-I419 WeakPolarHBondContact O-CA 3.38Å; I390-Y420 PolarHBondContact O-N 3.11Å; I390-I513 HydrophobicContact CG2-CG2 3.52Å; I390-W514 CarbonylContact C-O 3.44Å; I390-W514 WeakPolarHBondContact CA-O 3.49Å; I390-K515 HydrophobicContact CD1-CB 3.89Å; I390-K515 HydrophobicContact CD1-CD 4.47Å; I390-K515 HydrophobicContact CD1-CG 4.08Å
391V98.6Very high97Very high0 Ų019.9 Ų19.90%010%0.102CC..EExtended strand (participates in β ladder)trans-102.9131.6178.4-169.80000109.4Y420 A422 I513 W514 I516V391-Y420 VanDerWaalsContact CA-O 3.27Å; V391-Y420 WeakPolarHBondContact CA-O 3.27Å; V391-Y420 HydrophobicContact CG1-CD1 4.25Å; V391-Y420 WeakPolarHBondContact CG1-O 3.28Å; V391-Y420 HydrophobicContact CG2-CD1 4.03Å; V391-A422 HydrophobicContact CG1-CB 3.85Å; V391-A422 WeakPolarHBondContact CG1-O 3.26Å; V391-I513 CarbonylContact O-C 3.3Å; V391-I513 VanDerWaalsContact O-CA 3.27Å; V391-I513 WeakPolarHBondContact O-CA 3.47Å; V391-W514 HydrophobicContact CB-CB 3.95Å; V391-W514 HydrophobicContact CG2-CB 4.25Å; V391-W514 PolarHBondContact N-O 3.36Å; V391-W514 PolarHBondContact O-N 2.96Å; V391-I516 HydrophobicContact CG2-CB 4.43Å; V391-I516 HydrophobicContact CG2-CD1 3.78Å; V391-I516 HydrophobicContact CG2-CG1 3.87Å; V391-I516 HydrophobicContact CG2-CG2 3.77Å
392G97.4Very high97.2Very high1 Ų123.6 Ų23.61%0.0112%0.119CC..  trans-170.3149174.600000110.8H397 Y420 Y421G392-H397 PolarHBondContact O-CE1 2.9Å; G392-Y420 PolarHBondContact N-O 3.43Å; G392-Y421 WeakPolarHBondContact O-CA 3.35Å; G392-Y421 WeakPolarHBondContact O-CD1 3.12Å
393R97.2Very high97.5Very high21 Ų2122.6 Ų22.68%0.07912%0.117CC..  trans-140.6-145-176.254171.1-55.5-170.1-10.8111I395 A396 H397 A422 T439 M444 E511R393-I395 PolarHBondContact O-N 2.8Å; R393-A396 PolarHBondContact O-N 2.61Å; R393-H397 PolarHBondContact O-N 3.33Å; R393-H397 PolarHBondContact O-ND1 2.9Å; R393-A422 VanDerWaalsContact CD-O 3.31Å; R393-A422 WeakPolarHBondContact CD-O 3.44Å; R393-A422 WeakPolarHBondContact CG-O 3.16Å; R393-T439 HydrophobicContact CB-CG2 4.14Å; R393-M444 HydrophobicContact CB-CE 4.35Å; R393-E511 WeakPolarHBondContact CD-OE1 3.26Å; R393-E511 VanDerWaalsContact CG-OE2 3.3Å; R393-E511 WeakPolarHBondContact CG-OE2 3.48Å; R393-E511 IonicContact CZ-OE1 2.86Å; R393-E511 IonicContact NE-OE1 2.78Å; R393-E511 PolarHBondContact NE-OE1 2.79Å; R393-E511 IonicContact NE-OE2 2.61Å; R393-E511 IonicContact NH1-OE1 3.41Å; R393-E511 IonicContact NH2-OE1 3.59Å; R393-E511 PolarHBondContact NH2-OE1 2.85Å
394D96.8Very high97.6Very high41 Ų4123.5 Ų23.522%0.21912%0.122CC..Hα-helixtrans-46.6-59.8-163.8-50.9-108.8000113.7H397 A398 R443 E511D394-H397 PolarHBondContact O-N 3.24Å; D394-A398 PolarHBondContact O-N 2.76Å; D394-A398 VanDerWaalsContact O-N 3.14Å; D394-R443 IonicContact OD1-CZ 2.85Å; D394-R443 IonicContact OD1-NE 2.84Å; D394-R443 PolarHBondContact OD1-NE 3.29Å; D394-R443 IonicContact OD1-NH2 2.68Å; D394-R443 PolarHBondContact OD1-NH2 2.81Å; D394-R443 IonicContact OD2-CZ 3.96Å; D394-R443 IonicContact OD2-NE 3.78Å; D394-R443 IonicContact OD2-NH2 3.18Å; D394-R443 PolarHBondContact OD2-NH2 2.89Å; D394-E511 PolarHBondContact N-OE2 2.86Å
395I95.3Very high97.6Very high41 Ų4128.2 Ų28.221%0.2115%0.146CC..Hα-helixtrans-73.3-36.4-176.4-52.6177.9000111.4R393 H397 A398 K399 L508 E511R393-I395 PolarHBondContact O-N 2.8Å; I395-H397 VanDerWaalsContact C-N 3.34Å; I395-H397 PolarHBondContact O-N 2.85Å; I395-A398 WeakPolarHBondContact O-CB 2.97Å; I395-A398 PolarHBondContact O-N 3.46Å; I395-K399 WeakPolarHBondContact O-CG 3.16Å; I395-K399 PolarHBondContact O-N 3.01Å; I395-L508 HydrophobicContact CB-CD1 4.17Å; I395-L508 HydrophobicContact CG2-CD1 3.64Å; I395-L508 HydrophobicContact CG2-CD2 3.83Å; I395-L508 HydrophobicContact CG2-CG 4.36Å; I395-E511 HydrophobicContact CB-CB 4.26Å; I395-E511 HydrophobicContact CD1-CB 4.18Å; I395-E511 HydrophobicContact CD1-CG 4.02Å; I395-E511 HydrophobicContact CG1-CB 4.38Å; I395-E511 HydrophobicContact CG1-CG 4.29Å; I395-E511 PolarHBondContact N-OE2 2.81Å; I395-E511 VanDerWaalsContact N-OE2 3.12Å
396A97.1Very high97.6Very high0 Ų031.5 Ų31.50%017%0.174CC..Hα-helixtrans-60.4-41.9174.700000112.1R393 K399 L400 I513R393-A396 PolarHBondContact O-N 2.61Å; A396-K399 WeakPolarHBondContact O-CB 3.22Å; A396-K399 PolarHBondContact O-N 2.86Å; A396-L400 WeakPolarHBondContact O-CG 3.46Å; A396-L400 PolarHBondContact O-N 2.93Å; A396-I513 HydrophobicContact CB-CD1 4.32Å; A396-I513 HydrophobicContact CB-CG1 3.71Å
397H98.1Very high97.5Very high0 Ų032.5 Ų32.50%019%0.194CC..Hα-helixtrans-66.9-38.4176.4-77.369.4000111.8G392 R393 D394 I395 K399 L400 K401 Y421 M444 Y447G392-H397 PolarHBondContact O-CE1 2.9Å; R393-H397 PolarHBondContact O-N 3.33Å; R393-H397 PolarHBondContact O-ND1 2.9Å; D394-H397 PolarHBondContact O-N 3.24Å; I395-H397 VanDerWaalsContact C-N 3.34Å; I395-H397 PolarHBondContact O-N 2.85Å; H397-K399 VanDerWaalsContact C-N 3.33Å; H397-K399 PolarHBondContact O-N 2.95Å; H397-L400 PolarHBondContact O-N 2.94Å; H397-K401 PolarHBondContact O-N 2.9Å; H397-Y421 AromaticContact CE1-CD1 3.59Å; H397-Y421 AromaticContact CE1-CE1 3.36Å; H397-Y421 WeakPolarHBondContact CE1-CE1 3.42Å; H397-Y421 AromaticContact NE2-CD1 3.93Å; H397-Y421 AromaticContact NE2-CE1 3.21Å; H397-Y421 WeakPolarHBondContact NE2-CE1 3.37Å; H397-Y421 AromaticContact NE2-CZ 3.76Å; H397-M444 HydrophobicContact CB-CG 4.32Å; H397-Y447 HydrophobicContact CB-CD1 4.12Å; H397-Y447 HydrophobicContact CB-CD2 3.75Å; H397-Y447 HydrophobicContact CB-CE1 4.2Å; H397-Y447 HydrophobicContact CB-CE2 3.85Å; H397-Y447 HydrophobicContact CB-CG 3.9Å
398A97.3Very high97.5Very high31 Ų3138.6 Ų38.626%0.25622%0.22SC..Hα-helixtrans-59.4-43.4171.900000111.5D394 I395 K401 E402D394-A398 PolarHBondContact O-N 2.76Å; D394-A398 VanDerWaalsContact O-N 3.14Å; I395-A398 WeakPolarHBondContact O-CB 2.97Å; I395-A398 PolarHBondContact O-N 3.46Å; A398-K401 WeakPolarHBondContact O-CB 3.45Å; A398-K401 PolarHBondContact O-N 3.26Å; A398-E402 WeakPolarHBondContact O-CG 3.46Å; A398-E402 PolarHBondContact O-N 2.81Å
399K96.9Very high97.4Very high59 Ų5945.3 Ų45.326%0.25725%0.251SS..Hα-helixtrans-62.6-42.6174.8-70.3-75.2160.8-146.40113I395 A396 H397 K401 E402 L403 Y505I395-K399 WeakPolarHBondContact O-CG 3.16Å; I395-K399 PolarHBondContact O-N 3.01Å; A396-K399 WeakPolarHBondContact O-CB 3.22Å; A396-K399 PolarHBondContact O-N 2.86Å; H397-K399 VanDerWaalsContact C-N 3.33Å; H397-K399 PolarHBondContact O-N 2.95Å; K399-K401 VanDerWaalsContact C-N 3.31Å; K399-K401 PolarHBondContact O-N 2.87Å; K399-E402 WeakPolarHBondContact CD-OE2 3.49Å; K399-E402 IonicContact NZ-OE1 2.83Å; K399-E402 IonicContact NZ-OE2 3.74Å; K399-E402 PolarHBondContact NZ-OE2 3.43Å; K399-E402 WeakPolarHBondContact O-CB 3.35Å; K399-E402 PolarHBondContact O-N 3.01Å; K399-L403 WeakPolarHBondContact O-CG 3.49Å; K399-L403 PolarHBondContact O-N 2.8Å; K399-Y505 HydrophobicContact CB-CD2 4.47Å; K399-Y505 HydrophobicContact CB-CE1 4.38Å; K399-Y505 HydrophobicContact CB-CE2 3.9Å; K399-Y505 HydrophobicContact CD-CD1 4.48Å; K399-Y505 HydrophobicContact CD-CE1 4.18Å; K399-Y505 HydrophobicContact CG-CE1 4.36Å; K399-Y505 HydrophobicContact CG-CE2 4.4Å
400L97.5Very high97.3Very high1 Ų145.6 Ų45.61%0.00525%0.252CS..Hα-helixtrans-63-39.2175.6-66.9175.1000111.7A396 H397 L403 I404 L410 P411 I414 L451 I513A396-L400 WeakPolarHBondContact O-CG 3.46Å; A396-L400 PolarHBondContact O-N 2.93Å; H397-L400 PolarHBondContact O-N 2.94Å; L400-L403 HydrophobicContact CD2-CD1 4.38Å; L400-L403 WeakPolarHBondContact O-CB 3.48Å; L400-L403 PolarHBondContact O-N 2.88Å; L400-I404 PolarHBondContact O-N 2.89Å; L400-L410 HydrophobicContact CB-CD2 4.08Å; L400-L410 HydrophobicContact CD2-CD2 4.17Å; L400-P411 HydrophobicContact CD2-CG 4.2Å; L400-I414 HydrophobicContact CD1-CD1 3.83Å; L400-I414 HydrophobicContact CD1-CG1 4.11Å; L400-I414 HydrophobicContact CD1-CG2 4.42Å; L400-I414 HydrophobicContact CD2-CD1 4.35Å; L400-I414 HydrophobicContact CD2-CG1 3.94Å; L400-L451 HydrophobicContact CB-CD2 4.12Å; L400-I513 HydrophobicContact CD2-CD1 4.37Å
401K97.7Very high97.2Very high74 Ų7446.9 Ų46.932%0.32226%0.261SS..Hα-helixtrans-63.7-45.1172.9-174.2-174.9-175.7-48.10111.7H397 A398 K399 L403 I404 D405 Y447 L450H397-K401 PolarHBondContact O-N 2.9Å; A398-K401 WeakPolarHBondContact O-CB 3.45Å; A398-K401 PolarHBondContact O-N 3.26Å; K399-K401 VanDerWaalsContact C-N 3.31Å; K399-K401 PolarHBondContact O-N 2.87Å; K401-L403 PolarHBondContact O-N 3.49Å; K401-I404 PolarHBondContact O-N 3Å; K401-I404 VanDerWaalsContact O-N 3.11Å; K401-D405 IonicContact NZ-OD1 3.76Å; K401-D405 PolarHBondContact NZ-OD1 3.46Å; K401-D405 IonicContact NZ-OD2 3.35Å; K401-D405 PolarHBondContact NZ-OD2 2.8Å; K401-D405 PolarHBondContact O-N 3.01Å; K401-Y447 HydrophobicContact CB-CD1 4.03Å; K401-Y447 HydrophobicContact CB-CE1 3.93Å; K401-Y447 HydrophobicContact CD-CD1 4.26Å; K401-Y447 HydrophobicContact CD-CE1 3.93Å; K401-Y447 HydrophobicContact CG-CE1 4.5Å; K401-L450 HydrophobicContact CD-CD2 4.42Å; K401-L450 HydrophobicContact CG-CD2 3.85Å
402E96.9Very high97.2Very high101 Ų10151.9 Ų51.947%0.47228%0.284SS..Hα-helixtrans-57.1-37.2176.4-75.1172.2-170.700112.1A398 K399 A406A398-E402 WeakPolarHBondContact O-CG 3.46Å; A398-E402 PolarHBondContact O-N 2.81Å; K399-E402 WeakPolarHBondContact CD-OE2 3.49Å; K399-E402 IonicContact NZ-OE1 2.83Å; K399-E402 IonicContact NZ-OE2 3.74Å; K399-E402 PolarHBondContact NZ-OE2 3.43Å; K399-E402 WeakPolarHBondContact O-CB 3.35Å; K399-E402 PolarHBondContact O-N 3.01Å; E402-A406 VanDerWaalsContact O-CB 3.26Å; E402-A406 WeakPolarHBondContact O-CB 3.49Å; E402-A406 PolarHBondContact O-N 2.83Å
403L97.3Very high97.1Very high30 Ų3054.6 Ų54.616%0.15730%0.295CS..Hα-helixtrans-61.3-48.9174.2-68.7175.6000111.4K399 L400 K401 A406 G407 K408 P411K399-L403 WeakPolarHBondContact O-CG 3.49Å; K399-L403 PolarHBondContact O-N 2.8Å; L400-L403 HydrophobicContact CD2-CD1 4.38Å; L400-L403 WeakPolarHBondContact O-CB 3.48Å; L400-L403 PolarHBondContact O-N 2.88Å; K401-L403 PolarHBondContact O-N 3.49Å; L403-A406 CarbonylContact O-C 3.57Å; L403-A406 PolarHBondContact O-N 3.42Å; L403-G407 PolarHBondContact O-N 2.93Å; L403-K408 HydrophobicContact CB-CB 4.25Å; L403-K408 HydrophobicContact CD2-CB 4.38Å; L403-K408 HydrophobicContact CD2-CD 3.69Å; L403-K408 WeakPolarHBondContact O-CA 3.31Å; L403-K408 WeakPolarHBondContact O-CB 3.29Å; L403-K408 PolarHBondContact O-N 3.49Å; L403-P411 HydrophobicContact CD1-CG 4.13Å
404I97.6Very high97.2Very high21 Ų2153.7 Ų53.711%0.10829%0.291CS..Hα-helixtrans-62.1-47.3178.5-66.9168.6000110.7L400 K401 A406 G407 L410 L450 L451L400-I404 PolarHBondContact O-N 2.89Å; K401-I404 PolarHBondContact O-N 3Å; K401-I404 VanDerWaalsContact O-N 3.11Å; I404-A406 PolarHBondContact O-N 3.21Å; I404-G407 WeakPolarHBondContact O-CA 3.31Å; I404-G407 PolarHBondContact O-N 3.16Å; I404-L410 HydrophobicContact CD1-CD1 4.25Å; I404-L410 HydrophobicContact CD1-CD2 3.75Å; I404-L410 HydrophobicContact CD1-CG 3.96Å; I404-L410 HydrophobicContact CG1-CD2 3.96Å; I404-L410 HydrophobicContact CG1-CG 4.16Å; I404-L450 HydrophobicContact CD1-CD2 4.37Å; I404-L450 HydrophobicContact CD1-CG 4.06Å; I404-L450 HydrophobicContact CG2-CD1 4.17Å; I404-L451 HydrophobicContact CD1-CD2 3.96Å
405D97.6Very high97.2Very high104 Ų10453.8 Ų53.856%0.55629%0.29SS*.Hα-helixtrans-60.5-30.4179-67.8-16.7000111.7K401 G407K401-D405 IonicContact NZ-OD1 3.76Å; K401-D405 PolarHBondContact NZ-OD1 3.46Å; K401-D405 IonicContact NZ-OD2 3.35Å; K401-D405 PolarHBondContact NZ-OD2 2.8Å; K401-D405 PolarHBondContact O-N 3.01Å; D405-G407 VanDerWaalsContact C-N 3.26Å; D405-G407 PolarHBondContact O-N 3.31Å
406A97.6Very high97.3Very high71 Ų7155.2 Ų55.259%0.58730%0.298SS*.THydrogen-bonded Turntrans-83.46.8174.500000114.1E402 L403 I404 K408E402-A406 VanDerWaalsContact O-CB 3.26Å; E402-A406 WeakPolarHBondContact O-CB 3.49Å; E402-A406 PolarHBondContact O-N 2.83Å; L403-A406 CarbonylContact O-C 3.57Å; L403-A406 PolarHBondContact O-N 3.42Å; I404-A406 PolarHBondContact O-N 3.21Å; A406-K408 VanDerWaalsContact C-N 3.3Å; A406-K408 PolarHBondContact O-N 2.9Å
407G97.4Very high97.4Very high73 Ų7357 Ų5775%0.75331%0.306SS*.THydrogen-bonded Turntrans72.817.2-179.500000114.6L403 I404 D405L403-G407 PolarHBondContact O-N 2.93Å; I404-G407 WeakPolarHBondContact O-CA 3.31Å; I404-G407 PolarHBondContact O-N 3.16Å; D405-G407 VanDerWaalsContact C-N 3.26Å; D405-G407 PolarHBondContact O-N 3.31Å
408K97.2Very high97.4Very high130 Ų13057.1 Ų57.157%0.56531%0.307SS*.PPolyproline II helixtrans-91.6150.9175.8-60.4177.7179.2177.40110.2L403 A406L403-K408 HydrophobicContact CB-CB 4.25Å; L403-K408 HydrophobicContact CD2-CB 4.38Å; L403-K408 HydrophobicContact CD2-CD 3.69Å; L403-K408 WeakPolarHBondContact O-CA 3.31Å; L403-K408 WeakPolarHBondContact O-CB 3.29Å; L403-K408 PolarHBondContact O-N 3.49Å; A406-K408 VanDerWaalsContact C-N 3.3Å; A406-K408 PolarHBondContact O-N 2.9Å
409E95.8Very high97.5Very high152 Ų15255.8 Ų55.871%0.7130%0.295SS*.PPolyproline II helixtrans-72.4153173.4-64.6-163.5-179.500112.2K415E409-K415 IonicContact OE2-NZ 2.71Å; E409-K415 PolarHBondContact OE2-NZ 3.2Å
410L97.4Very high97.6Very high5 Ų553 Ų533%0.02628%0.283CS..PPolyproline II helixtrans-61.7138.6166.7-73.1179.3000110.6L400 I404 I414 K415 L451 H454L400-L410 HydrophobicContact CB-CD2 4.08Å; L400-L410 HydrophobicContact CD2-CD2 4.17Å; I404-L410 HydrophobicContact CD1-CD1 4.25Å; I404-L410 HydrophobicContact CD1-CD2 3.75Å; I404-L410 HydrophobicContact CD1-CG 3.96Å; I404-L410 HydrophobicContact CG1-CD2 3.96Å; I404-L410 HydrophobicContact CG1-CG 4.16Å; L410-I414 HydrophobicContact CD1-CG2 4.38Å; L410-K415 VanDerWaalsContact O-CE 3.31Å; L410-K415 WeakPolarHBondContact O-CE 3.47Å; L410-L451 HydrophobicContact CD1-CB 4.49Å; L410-L451 HydrophobicContact CD1-CD2 3.82Å; L410-L451 HydrophobicContact CD2-CD2 3.7Å; L410-L451 HydrophobicContact CG-CD2 4.39Å; L410-H454 HydrophobicContact CD1-CB 3.69Å; L410-H454 HydrophobicContact CG-CB 4.18Å
411P97.1Very high97.6Very high28 Ų2852.9 Ų52.918%0.18228%0.283CS..PPolyproline II helixtrans-55.3142173.3-24.333.6000112.1L400 L403 Y413 I414L400-P411 HydrophobicContact CD2-CG 4.2Å; L403-P411 HydrophobicContact CD1-CG 4.13Å; P411-Y413 VanDerWaalsContact C-N 3.26Å; P411-Y413 HydrophobicContact CB-CD1 3.77Å; P411-Y413 HydrophobicContact CB-CD2 4.4Å; P411-Y413 HydrophobicContact CB-CE1 3.28Å; P411-Y413 HydrophobicContact CB-CE2 3.96Å; P411-Y413 HydrophobicContact CB-CG 4.31Å; P411-Y413 HydrophobicContact CG-CE1 4.12Å; P411-Y413 HydrophobicContact CG-CE2 4.46Å; P411-Y413 PolarHBondContact O-N 2.78Å; P411-I414 HydrophobicContact CB-CG1 4.42Å; P411-I414 WeakPolarHBondContact O-CB 3.23Å; P411-I414 PolarHBondContact O-N 2.81Å
412Q97.5Very high97.7Very high105 Ų10549.4 Ų49.449%0.49127%0.267SS..Hα-helixtrans-59.5-35.7-173.3-169.659.535.500113I414 K415 D416Q412-I414 PolarHBondContact O-N 2.9Å; Q412-I414 VanDerWaalsContact O-N 3.17Å; Q412-K415 WeakPolarHBondContact O-CA 3.39Å; Q412-K415 WeakPolarHBondContact O-CB 3.28Å; Q412-K415 PolarHBondContact O-N 2.97Å; Q412-D416 WeakPolarHBondContact CG-OD2 3.38Å; Q412-D416 PolarHBondContact NE2-OD1 3.38Å; Q412-D416 PolarHBondContact O-N 3.49Å
413Y96.9Very high97.7Very high59 Ų5944.6 Ų44.623%0.23125%0.245CC..Hα-helixtrans-61.6-24.5177.559.7-105.3000113.8I390 P411 K415 H417 I513I390-Y413 HydrophobicContact CD1-CD2 4.03Å; I390-Y413 HydrophobicContact CD1-CG 4.33Å; I390-Y413 HydrophobicContact CG1-CD2 4.1Å; I390-Y413 WeakPolarHBondContact CG1-O 3.35Å; I390-Y413 HydrophobicContact CG2-CD2 4.13Å; I390-Y413 HydrophobicContact CG2-CE2 4.46Å; P411-Y413 VanDerWaalsContact C-N 3.26Å; P411-Y413 HydrophobicContact CB-CD1 3.77Å; P411-Y413 HydrophobicContact CB-CD2 4.4Å; P411-Y413 HydrophobicContact CB-CE1 3.28Å; P411-Y413 HydrophobicContact CB-CE2 3.96Å; P411-Y413 HydrophobicContact CB-CG 4.31Å; P411-Y413 HydrophobicContact CG-CE1 4.12Å; P411-Y413 HydrophobicContact CG-CE2 4.46Å; P411-Y413 PolarHBondContact O-N 2.78Å; Y413-K415 VanDerWaalsContact C-N 3.31Å; Y413-H417 PolarHBondContact O-N 2.93Å; Y413-I513 HydrophobicContact CE2-CD1 4.17Å; Y413-I513 HydrophobicContact CE2-CG2 3.88Å
414I97.5Very high97.7Very high2 Ų243.6 Ų43.61%0.0124%0.24CC..Hα-helixtrans-75.3-23.3174.3-62-63.3000111.9I390 L400 L410 P411 Q412 I419 G456 S457I390-I414 HydrophobicContact CG2-CD1 3.92Å; L400-I414 HydrophobicContact CD1-CD1 3.83Å; L400-I414 HydrophobicContact CD1-CG1 4.11Å; L400-I414 HydrophobicContact CD1-CG2 4.42Å; L400-I414 HydrophobicContact CD2-CD1 4.35Å; L400-I414 HydrophobicContact CD2-CG1 3.94Å; L410-I414 HydrophobicContact CD1-CG2 4.38Å; P411-I414 HydrophobicContact CB-CG1 4.42Å; P411-I414 WeakPolarHBondContact O-CB 3.23Å; P411-I414 PolarHBondContact O-N 2.81Å; Q412-I414 PolarHBondContact O-N 2.9Å; Q412-I414 VanDerWaalsContact O-N 3.17Å; I414-I419 HydrophobicContact CD1-CD1 4.27Å; I414-G456 WeakPolarHBondContact O-CA 3.48Å; I414-S457 PolarHBondContact O-N 2.92Å
415K98.1Very high97.7Very high42 Ų4242.8 Ų42.818%0.18324%0.237CC..Hα-helixtrans-89.8-35178.8-54.2-179.9-173.6167.70111.5E409 L410 Q412 Y413E409-K415 IonicContact OE2-NZ 2.71Å; E409-K415 PolarHBondContact OE2-NZ 3.2Å; L410-K415 VanDerWaalsContact O-CE 3.31Å; L410-K415 WeakPolarHBondContact O-CE 3.47Å; Q412-K415 WeakPolarHBondContact O-CA 3.39Å; Q412-K415 WeakPolarHBondContact O-CB 3.28Å; Q412-K415 PolarHBondContact O-N 2.97Å; Y413-K415 VanDerWaalsContact C-N 3.31Å
416D97.9Very high97.8Very high71 Ų7140.5 Ų40.538%0.3822%0.222SC..Hα-helixtrans-82-24.8-172.7-70.2-10.7000114.2M367 Q412M367-D416 WeakPolarHBondContact CE-O 3.45Å; Q412-D416 WeakPolarHBondContact CG-OD2 3.38Å; Q412-D416 PolarHBondContact NE2-OD1 3.38Å; Q412-D416 PolarHBondContact O-N 3.49Å
417H98.4Very high97.8Very high38 Ų3840.1 Ų40.118%0.17621%0.212CC..SBendtrans-130.1155.9-171.3-57.3-61.9000113.1I390 Y413I390-H417 HydrophobicContact CG1-CB 3.93Å; Y413-H417 PolarHBondContact O-N 2.93Å
418P98.6Very high97.8Very high3 Ų336.8 Ų36.82%0.01918%0.178CC..PPolyproline II helixtrans-57.1147.5167.4-23.134000112L363 I390 I459L363-P418 HydrophobicContact CD1-CG 4.22Å; L363-P418 HydrophobicContact CD2-CG 4Å; I390-P418 PolarHBondContact N-O 2.8Å; P418-I459 CarbonylContact C-O 3.46Å; P418-I459 VanDerWaalsContact CA-O 3.32Å; P418-I459 WeakPolarHBondContact CA-O 3.2Å; P418-I459 HydrophobicContact CB-CB 3.97Å; P418-I459 HydrophobicContact CB-CG2 3.89Å; P418-I459 HydrophobicContact CG-CB 4.15Å; P418-I459 HydrophobicContact CG-CD1 4.4Å; P418-I459 HydrophobicContact CG-CG2 4.13Å
419I98.6Very high97.8Very high2 Ų235.5 Ų35.51%0.0119%0.191CC..EExtended strand (participates in β ladder)trans-103.6117.7173.8-169.9165.5000111.2I390 I414 Y421 S457 I459 M460 L461I390-I419 CarbonylContact O-C 3.56Å; I390-I419 VanDerWaalsContact O-CA 3.27Å; I390-I419 WeakPolarHBondContact O-CA 3.38Å; I414-I419 HydrophobicContact CD1-CD1 4.27Å; I419-Y421 HydrophobicContact CB-CE1 4.37Å; I419-Y421 HydrophobicContact CD1-CE1 4.25Å; I419-Y421 HydrophobicContact CG1-CD1 4.14Å; I419-Y421 HydrophobicContact CG1-CE1 3.96Å; I419-Y421 HydrophobicContact CG2-CD1 4.5Å; I419-Y421 HydrophobicContact CG2-CE1 3.67Å; I419-S457 WeakPolarHBondContact CG2-OG 3.26Å; I419-I459 PolarHBondContact N-O 3.34Å; I419-M460 HydrophobicContact CG2-CB 4.47Å; I419-M460 HydrophobicContact CG2-CG 3.99Å; I419-M460 CarbonylContact O-C 3.57Å; I419-M460 WeakPolarHBondContact O-CA 3.14Å; I419-L461 PolarHBondContact O-N 2.94Å
420Y98.7Very high97.8Very high0 Ų032.4 Ų32.40%020%0.2CC..EExtended strand (participates in β ladder)trans-96.9118.4176.8178-140.1000111.1I389 I390 V391 G392 A422 L436 G437 P438 L461 I516 F521I389-Y420 HydrophobicContact CG2-CG 4.46Å; I390-Y420 PolarHBondContact O-N 3.11Å; V391-Y420 VanDerWaalsContact CA-O 3.27Å; V391-Y420 WeakPolarHBondContact CA-O 3.27Å; V391-Y420 HydrophobicContact CG1-CD1 4.25Å; V391-Y420 WeakPolarHBondContact CG1-O 3.28Å; V391-Y420 HydrophobicContact CG2-CD1 4.03Å; G392-Y420 PolarHBondContact N-O 3.43Å; Y420-A422 HydrophobicContact CD1-CB 3.65Å; Y420-A422 HydrophobicContact CD2-CB 4.41Å; Y420-A422 HydrophobicContact CE1-CB 3.36Å; Y420-A422 HydrophobicContact CE2-CB 4.19Å; Y420-A422 HydrophobicContact CG-CB 4.17Å; Y420-A422 PolarHBondContact O-N 3.05Å; Y420-A422 VanDerWaalsContact O-N 3.09Å; Y420-L436 HydrophobicContact CE1-CG 4.15Å; Y420-L436 PolarHBondContact OH-O 3.19Å; Y420-L436 VanDerWaalsContact OH-O 3.05Å; Y420-G437 WeakPolarHBondContact OH-CA 3.33Å; Y420-P438 HydrophobicContact CE2-CB 3.74Å; Y420-P438 WeakPolarHBondContact OH-CA 3.45Å; Y420-P438 VanDerWaalsContact OH-CD 3.3Å; Y420-P438 WeakPolarHBondContact OH-CD 3.48Å; Y420-L461 CarbonylContact C-O 3.52Å; Y420-L461 VanDerWaalsContact CA-O 3.3Å; Y420-L461 WeakPolarHBondContact CA-O 3.34Å; Y420-L461 HydrophobicContact CD2-CB 3.93Å; Y420-L461 HydrophobicContact CD2-CD2 3.71Å; Y420-L461 HydrophobicContact CD2-CG 3.58Å; Y420-L461 VanDerWaalsContact CD2-O 3.29Å; Y420-L461 WeakPolarHBondContact CD2-O 3.17Å; Y420-L461 HydrophobicContact CE2-CD2 4.2Å; Y420-L461 HydrophobicContact CE2-CG 4.06Å; Y420-L461 HydrophobicContact CG-CD2 4.13Å; Y420-L461 HydrophobicContact CG-CG 4.4Å; Y420-I516 HydrophobicContact CD1-CD1 4.03Å; Y420-F521 HydrophobicContact CE1-CE2 4.49Å; Y420-F521 HydrophobicContact CE1-CZ 4.38Å; Y420-F521 HydrophobicContact CE2-CZ 4.12Å; Y420-F521 AromaticContact CZ-CZ 3.87Å
421Y98.5Very high97.8Very high0 Ų036 Ų360%021%0.214CC..  trans-81.495.7177.5-51.7-21.5000109.2G392 H397 I419 P438 T439 A441 M444 M460 L461 A462G392-Y421 WeakPolarHBondContact O-CA 3.35Å; G392-Y421 WeakPolarHBondContact O-CD1 3.12Å; H397-Y421 AromaticContact CE1-CD1 3.59Å; H397-Y421 AromaticContact CE1-CE1 3.36Å; H397-Y421 WeakPolarHBondContact CE1-CE1 3.42Å; H397-Y421 AromaticContact NE2-CD1 3.93Å; H397-Y421 AromaticContact NE2-CE1 3.21Å; H397-Y421 WeakPolarHBondContact NE2-CE1 3.37Å; H397-Y421 AromaticContact NE2-CZ 3.76Å; I419-Y421 HydrophobicContact CB-CE1 4.37Å; I419-Y421 HydrophobicContact CD1-CE1 4.25Å; I419-Y421 HydrophobicContact CG1-CD1 4.14Å; I419-Y421 HydrophobicContact CG1-CE1 3.96Å; I419-Y421 HydrophobicContact CG2-CD1 4.5Å; I419-Y421 HydrophobicContact CG2-CE1 3.67Å; Y421-P438 CarbonylContact O-C 3.59Å; Y421-T439 WeakPolarHBondContact O-CG2 3.3Å; Y421-T439 PolarHBondContact O-N 3.22Å; Y421-A441 HydrophobicContact CD2-CB 4.37Å; Y421-M444 HydrophobicContact CD1-CE 4.39Å; Y421-M444 HydrophobicContact CD2-CB 4.23Å; Y421-M444 HydrophobicContact CD2-CE 3.52Å; Y421-M444 HydrophobicContact CD2-CG 4.48Å; Y421-M444 HydrophobicContact CE2-CB 3.78Å; Y421-M444 HydrophobicContact CE2-CE 4.27Å; Y421-M444 HydrophobicContact CE2-CG 4.41Å; Y421-M444 HydrophobicContact CG-CE 3.6Å; Y421-M460 HydrophobicContact CE2-CB 4.47Å; Y421-M460 VanDerWaalsContact OH-CG 3.29Å; Y421-M460 WeakPolarHBondContact OH-CG 3.35Å; Y421-M460 PolarHBondContact OH-SD 2.96Å; Y421-M460 VanDerWaalsContact OH-SD 3.34Å; Y421-L461 PolarHBondContact N-O 2.79Å; Y421-A462 HydrophobicContact CD2-CB 3.43Å; Y421-A462 VanDerWaalsContact CD2-CB 3.43Å; Y421-A462 HydrophobicContact CE2-CB 4.29Å; Y421-A462 HydrophobicContact CG-CB 3.92Å
422A98.1Very high97.8Very high0 Ų037.4 Ų37.40%022%0.223CC..BIsolated β-bridgetrans-153.2171.617800000110.9V391 R393 Y420 L436 G437V391-A422 HydrophobicContact CG1-CB 3.85Å; V391-A422 WeakPolarHBondContact CG1-O 3.26Å; R393-A422 VanDerWaalsContact CD-O 3.31Å; R393-A422 WeakPolarHBondContact CD-O 3.44Å; R393-A422 WeakPolarHBondContact CG-O 3.16Å; Y420-A422 HydrophobicContact CD1-CB 3.65Å; Y420-A422 HydrophobicContact CD2-CB 4.41Å; Y420-A422 HydrophobicContact CE1-CB 3.36Å; Y420-A422 HydrophobicContact CE2-CB 4.19Å; Y420-A422 HydrophobicContact CG-CB 4.17Å; Y420-A422 PolarHBondContact O-N 3.05Å; Y420-A422 VanDerWaalsContact O-N 3.09Å; A422-L436 HydrophobicContact CB-CD1 3.63Å; A422-L436 HydrophobicContact CB-CG 4.46Å; A422-G437 WeakPolarHBondContact CB-O 3.42Å
423G97.6Very high97.8Very high0 Ų032.4 Ų32.40%020%0.2CC..  trans-147.8118.917100000108.7Q106 R145 M510Q106-G423 WeakPolarHBondContact CG-O 3.26Å; R145-G423 PolarHBondContact NH1-O 3.01Å; G423-M510 WeakPolarHBondContact CA-O 3.29Å
424P97.7Very high97.8Very high9 Ų929.6 Ų29.66%0.05819%0.189CC..PPolyproline II helixtrans-67.6149.2-171.425.5-33.1000112.3R145 L436 L500 W514R145-P424 WeakPolarHBondContact CD-O 3.16Å; R145-P424 WeakPolarHBondContact CG-O 3.32Å; P424-L436 HydrophobicContact CB-CD1 3.84Å; P424-L436 HydrophobicContact CG-CD1 4.46Å; P424-L500 HydrophobicContact CB-CD1 4.1Å; P424-L500 HydrophobicContact CG-CD1 4.21Å; P424-W514 HydrophobicContact CG-CD2 4.22Å; P424-W514 HydrophobicContact CG-CZ2 4.04Å
425A98.5Very high97.9Very high5 Ų529.5 Ų29.54%0.04119%0.188CC..PPolyproline II helixtrans-73.5169.5156.100000110.4P103 R145 T427 S435P103-A425 HydrophobicContact CG-CB 4.23Å; R145-A425 HydrophobicContact CB-CB 4.2Å; A425-T427 PolarHBondContact O-N 3.43Å; A425-S435 PolarHBondContact N-O 3.18Å
426K98.1Very high97.9Very high56 Ų5627.5 Ų27.524%0.24318%0.179CC..PPolyproline II helixtrans-56.1138.1176-74.5-177.8-57.2177.90110.8Y139 I140 D142 L144 Y146 P428 G434Y139-K426 WeakPolarHBondContact O-CE 3.42Å; Y139-K426 PolarHBondContact O-NZ 3.14Å; I140-K426 PolarHBondContact O-NZ 3.44Å; D142-K426 WeakPolarHBondContact O-CE 3.41Å; D142-K426 PolarHBondContact O-NZ 3.1Å; L144-K426 WeakPolarHBondContact O-CB 3.36Å; L144-K426 WeakPolarHBondContact O-CE 3.35Å; L144-K426 VanDerWaalsContact O-CG 3.23Å; L144-K426 WeakPolarHBondContact O-CG 3.32Å; L144-K426 PolarHBondContact O-N 3.38Å; Y146-K426 HydrophobicContact CE2-CD 4.22Å; Y146-K426 PolarHBondContact OH-NZ 3.2Å; K426-P428 WeakPolarHBondContact O-CD 3.45Å; K426-G434 WeakPolarHBondContact O-CA 3.47Å
427T98Very high97.9Very high62 Ų6224.1 Ų24.138%0.3816%0.161SC..PPolyproline II helixtrans-77.9119.8177.1-59.20000110.3A425 Y431 G434A425-T427 PolarHBondContact O-N 3.43Å; T427-Y431 WeakPolarHBondContact CG2-O 3.22Å; T427-G434 PolarHBondContact OG1-N 3.15Å
428P97.7Very high97.9Very high4 Ų422.3 Ų22.33%0.02615%0.153CC..PPolyproline II helixtrans-61.7151.7173.3-17.427.7000112V101 L102 N143 K426 G430 Y431V101-P428 HydrophobicContact CG1-CB 3.72Å; V101-P428 HydrophobicContact CG1-CG 3.76Å; L102-P428 HydrophobicContact CD2-CG 3.7Å; L102-P428 HydrophobicContact CG-CG 4.42Å; N143-P428 HydrophobicContact CB-CG 3.92Å; N143-P428 WeakPolarHBondContact OD1-CA 3.47Å; K426-P428 WeakPolarHBondContact O-CD 3.45Å; P428-G430 PolarHBondContact O-N 3.3Å; P428-Y431 HydrophobicContact CB-CD2 3.79Å; P428-Y431 HydrophobicContact CB-CE2 4.42Å; P428-Y431 HydrophobicContact CB-CG 4.01Å; P428-Y431 HydrophobicContact CG-CD2 4.34Å; P428-Y431 HydrophobicContact CG-CG 4.11Å; P428-Y431 PolarHBondContact O-N 3.28Å; P428-Y431 VanDerWaalsContact O-N 3.1Å
429A96Very high97.8Very high102 Ų10222.7 Ų22.784%0.84316%0.155SC*.THydrogen-bonded Turntrans-57.5127.7174.300000111.1Y431A429-Y431 VanDerWaalsContact C-N 3.32Å; A429-Y431 PolarHBondContact O-N 3.07Å
430G96.4Very high97.8Very high87 Ų8723.3 Ų23.390%0.89716%0.159SC*.THydrogen-bonded Turntrans80.83.2-179.700000115.6P428P428-G430 PolarHBondContact O-N 3.3Å
431Y97.6Very high97.7Very high82 Ų8223.3 Ų23.332%0.32216%0.159SC..  trans-101.3148.8175.5-78.8-116.2000110.9V101 L102 T427 P428 A429 S433V101-Y431 HydrophobicContact CG1-CD2 4.43Å; V101-Y431 HydrophobicContact CG1-CE1 4.34Å; V101-Y431 HydrophobicContact CG1-CE2 3.83Å; L102-Y431 HydrophobicContact CD1-CD1 4.01Å; L102-Y431 HydrophobicContact CD1-CE1 3.85Å; L102-Y431 HydrophobicContact CD2-CD1 4.37Å; L102-Y431 HydrophobicContact CG-CD1 4.28Å; L102-Y431 HydrophobicContact CG-CE1 4.17Å; T427-Y431 WeakPolarHBondContact CG2-O 3.22Å; P428-Y431 HydrophobicContact CB-CD2 3.79Å; P428-Y431 HydrophobicContact CB-CE2 4.42Å; P428-Y431 HydrophobicContact CB-CG 4.01Å; P428-Y431 HydrophobicContact CG-CD2 4.34Å; P428-Y431 HydrophobicContact CG-CG 4.11Å; P428-Y431 PolarHBondContact O-N 3.28Å; P428-Y431 VanDerWaalsContact O-N 3.1Å; A429-Y431 VanDerWaalsContact C-N 3.32Å; A429-Y431 PolarHBondContact O-N 3.07Å; Y431-S433 VanDerWaalsContact C-N 3.28Å; Y431-S433 PolarHBondContact O-N 2.89Å
432P96.6Very high97.7Very high57 Ų5724.8 Ų24.837%0.3717%0.174SC..SBendtrans-70-26.517628.1-34.4000112.8I497 K498P432-I497 VanDerWaalsContact CG-O 3.26Å; P432-I497 WeakPolarHBondContact CG-O 3.48Å; P432-K498 WeakPolarHBondContact CB-O 3.34Å
433S97.7Very high97.6Very high0 Ų027.8 Ų27.80%019%0.186CC..  trans-157.6155.2-178.2-160.90000111.1Y431Y431-S433 VanDerWaalsContact C-N 3.28Å; Y431-S433 PolarHBondContact O-N 2.89Å
434G98.1Very high97.7Very high0 Ų027.8 Ų27.80%019%0.186CC..SBendtrans-76.1177.4160.700000111.3K426 T427 L436 A493K426-G434 WeakPolarHBondContact O-CA 3.47Å; T427-G434 PolarHBondContact OG1-N 3.15Å; G434-L436 PolarHBondContact O-N 3.02Å; G434-A493 WeakPolarHBondContact O-CB 3.39Å
435S98.5Very high97.7Very high0 Ų027.8 Ų27.80%019%0.185CC..  trans-52.6126.7174.7-67.40000110.4P103 Q106 A425P103-S435 VanDerWaalsContact CD-OG 3.28Å; P103-S435 WeakPolarHBondContact CD-OG 3.43Å; P103-S435 WeakPolarHBondContact O-CB 3.44Å; P103-S435 PolarHBondContact O-OG 2.84Å; Q106-S435 WeakPolarHBondContact CB-O 3.45Å; A425-S435 PolarHBondContact N-O 3.18Å
436L98.3Very high97.7Very high0 Ų031.4 Ų31.40%021%0.21CC..  trans-143.369.2-172.3-177.159.7000112.3Y420 A422 P424 G434 A489 I497 L500 I516Y420-L436 HydrophobicContact CE1-CG 4.15Å; Y420-L436 PolarHBondContact OH-O 3.19Å; Y420-L436 VanDerWaalsContact OH-O 3.05Å; A422-L436 HydrophobicContact CB-CD1 3.63Å; A422-L436 HydrophobicContact CB-CG 4.46Å; P424-L436 HydrophobicContact CB-CD1 3.84Å; P424-L436 HydrophobicContact CG-CD1 4.46Å; G434-L436 PolarHBondContact O-N 3.02Å; L436-A489 PolarHBondContact N-O 3.17Å; L436-I497 HydrophobicContact CB-CD1 3.63Å; L436-I497 HydrophobicContact CD2-CD1 3.66Å; L436-I497 HydrophobicContact CG-CD1 3.92Å; L436-L500 HydrophobicContact CD2-CD1 3.76Å; L436-I516 HydrophobicContact CD2-CD1 4.42Å; L436-I516 HydrophobicContact CD2-CG2 4.17Å
437G97.4Very high97.7Very high0 Ų030.8 Ų30.80%021%0.206CC..PPolyproline II helixtrans-85.3169.8170.500000113.4Q106 Y420 A422 A489Q106-G437 VanDerWaalsContact CD-C 3.48Å; Q106-G437 WeakPolarHBondContact CG-O 3.06Å; Q106-G437 PolarHBondContact NE2-O 2.99Å; Q106-G437 VanDerWaalsContact NE2-O 3.08Å; Q106-G437 VanDerWaalsContact OE1-CA 3.23Å; Y420-G437 WeakPolarHBondContact OH-CA 3.33Å; A422-G437 WeakPolarHBondContact CB-O 3.42Å; G437-A489 VanDerWaalsContact N-CB 3.33Å
438P97.9Very high97.7Very high0 Ų027.9 Ų27.90%019%0.188CC..BIsolated β-bridgetrans-73154.4-177.428.1-36.2000112.2Q106 Y420 Y421 K463 I485Q106-P438 PolarHBondContact NE2-O 3.37Å; Y420-P438 HydrophobicContact CE2-CB 3.74Å; Y420-P438 WeakPolarHBondContact OH-CA 3.45Å; Y420-P438 VanDerWaalsContact OH-CD 3.3Å; Y420-P438 WeakPolarHBondContact OH-CD 3.48Å; Y421-P438 CarbonylContact O-C 3.59Å; P438-K463 HydrophobicContact CB-CB 3.92Å; P438-K463 HydrophobicContact CB-CG 3.89Å; P438-K463 HydrophobicContact CG-CB 3.69Å; P438-K463 HydrophobicContact CG-CD 4.38Å; P438-K463 HydrophobicContact CG-CG 3.87Å; P438-K463 WeakPolarHBondContact O-CE 3.45Å; P438-I485 WeakPolarHBondContact CD-O 3.21Å
439T97.6Very high97.8Very high10 Ų1030.8 Ų30.86%0.06120%0.204CC..PPolyproline II helixtrans-99.1167166.2-152.50000111.4R393 Y421 A441 R443 M444 K463R393-T439 HydrophobicContact CB-CG2 4.14Å; Y421-T439 WeakPolarHBondContact O-CG2 3.3Å; Y421-T439 PolarHBondContact O-N 3.22Å; T439-A441 PolarHBondContact O-N 2.88Å; T439-R443 VanDerWaalsContact CG2-NH2 3.31Å; T439-R443 PolarHBondContact OG1-NH1 2.86Å; T439-R443 PolarHBondContact OG1-NH2 2.92Å; T439-M444 HydrophobicContact CG2-CE 3.71Å; T439-K463 WeakPolarHBondContact O-CG 3.18Å; T439-K463 PolarHBondContact O-N 3.38Å; T439-K463 VanDerWaalsContact O-N 3.15Å
440T97.5Very high97.9Very high15 Ų1528.2 Ų28.29%0.09218%0.175CC..BIsolated β-bridgetrans-63.8118.5-178.1-54.30000111.5A222 G442 K463A222-T440 HydrophobicContact CB-CG2 3.5Å; A222-T440 PolarHBondContact O-OG1 3.4Å; T440-G442 VanDerWaalsContact C-N 3.34Å; T440-G442 PolarHBondContact O-N 2.96Å; T440-K463 WeakPolarHBondContact CA-O 3.39Å
441A98.1Very high98Very high0 Ų024.1 Ų24.10%013%0.133CC..G310 helixtrans-63-38.7-176.100000113.5Y421 T439 R443 M444 A462 K463 R466 Y481Y421-A441 HydrophobicContact CD2-CB 4.37Å; T439-A441 PolarHBondContact O-N 2.88Å; A441-R443 PolarHBondContact O-N 2.79Å; A441-M444 PolarHBondContact O-N 3.16Å; A441-A462 HydrophobicContact CB-CB 3.56Å; A441-K463 WeakPolarHBondContact CB-O 3.43Å; A441-K463 PolarHBondContact N-O 3.1Å; A441-R466 HydrophobicContact CB-CG 3.72Å; A441-R466 PolarHBondContact O-NH2 2.81Å; A441-Y481 HydrophobicContact CB-CE1 4.46Å; A441-Y481 HydrophobicContact CB-CE2 4.04Å
442G97.5Very high98Very high31 Ų3120.5 Ų20.532%0.3212%0.119SC..G310 helixtrans-52.1-25.3-177.700000115.6T440 M444 D445T440-G442 VanDerWaalsContact C-N 3.34Å; T440-G442 PolarHBondContact O-N 2.96Å; G442-M444 VanDerWaalsContact C-N 3.27Å; G442-M444 PolarHBondContact O-N 2.88Å; G442-D445 WeakPolarHBondContact CA-OD1 3.31Å; G442-D445 VanDerWaalsContact O-CG 3.31Å; G442-D445 PolarHBondContact O-N 2.91Å
443R97.3Very high98.1Very high64 Ų6420.7 Ų20.724%0.24212%0.122CC..G310 helixtrans-74.2-18.8179.9-58.7-162.7-48.9-81.7-17.6113.2D394 T439 A441D394-R443 IonicContact OD1-CZ 2.85Å; D394-R443 IonicContact OD1-NE 2.84Å; D394-R443 PolarHBondContact OD1-NE 3.29Å; D394-R443 IonicContact OD1-NH2 2.68Å; D394-R443 PolarHBondContact OD1-NH2 2.81Å; D394-R443 IonicContact OD2-CZ 3.96Å; D394-R443 IonicContact OD2-NE 3.78Å; D394-R443 IonicContact OD2-NH2 3.18Å; D394-R443 PolarHBondContact OD2-NH2 2.89Å; T439-R443 VanDerWaalsContact CG2-NH2 3.31Å; T439-R443 PolarHBondContact OG1-NH1 2.86Å; T439-R443 PolarHBondContact OG1-NH2 2.92Å; A441-R443 PolarHBondContact O-N 2.79Å
444M98.5Very high98.1Very high0 Ų024.6 Ų24.60%014%0.14CC..G310 helixtrans-102.24.9178.9-80.565.674.400112.8R393 H397 Y421 T439 A441 G442 S446 Y447R393-M444 HydrophobicContact CB-CE 4.35Å; H397-M444 HydrophobicContact CB-CG 4.32Å; Y421-M444 HydrophobicContact CD1-CE 4.39Å; Y421-M444 HydrophobicContact CD2-CB 4.23Å; Y421-M444 HydrophobicContact CD2-CE 3.52Å; Y421-M444 HydrophobicContact CD2-CG 4.48Å; Y421-M444 HydrophobicContact CE2-CB 3.78Å; Y421-M444 HydrophobicContact CE2-CE 4.27Å; Y421-M444 HydrophobicContact CE2-CG 4.41Å; Y421-M444 HydrophobicContact CG-CE 3.6Å; T439-M444 HydrophobicContact CG2-CE 3.71Å; A441-M444 PolarHBondContact O-N 3.16Å; G442-M444 VanDerWaalsContact C-N 3.27Å; G442-M444 PolarHBondContact O-N 2.88Å; M444-S446 VanDerWaalsContact C-N 3.25Å; M444-S446 PolarHBondContact O-N 2.9Å; M444-Y447 HydrophobicContact CB-CD2 4.3Å; M444-Y447 HydrophobicContact CG-CD2 4.36Å; M444-Y447 PolarHBondContact O-N 2.98Å; M444-Y447 VanDerWaalsContact O-N 3.09Å
445D98.6Very high98.1Very high9 Ų926.3 Ų26.35%0.04816%0.158CC..G310 helixtrans-56.1-38.3-175.5-73.410.3000113.2G442 Y447 V448 R466 S467 Q469 V470G442-D445 WeakPolarHBondContact CA-OD1 3.31Å; G442-D445 VanDerWaalsContact O-CG 3.31Å; G442-D445 PolarHBondContact O-N 2.91Å; D445-Y447 PolarHBondContact O-N 2.87Å; D445-V448 PolarHBondContact O-N 3.18Å; D445-R466 IonicContact OD1-CZ 3.38Å; D445-R466 IonicContact OD1-NE 3.28Å; D445-R466 PolarHBondContact OD1-NE 3.05Å; D445-R466 IonicContact OD1-NH2 2.77Å; D445-R466 PolarHBondContact OD1-NH2 3.04Å; D445-S467 VanDerWaalsContact OD2-CB 3.31Å; D445-S467 WeakPolarHBondContact OD2-CB 3.41Å; D445-S467 PolarHBondContact OD2-N 2.79Å; D445-S467 PolarHBondContact OD2-OG 3.18Å; D445-Q469 HydrophobicContact CB-CG 4.23Å; D445-V470 HydrophobicContact CB-CG2 3.8Å; D445-V470 VanDerWaalsContact CG-CG2 3.49Å
446S98Very high98Very high80 Ų8026.3 Ų26.356%0.55916%0.158SC*.G310 helixtrans-66-15.1-179.253.80000114.7M444M444-S446 VanDerWaalsContact C-N 3.25Å; M444-S446 PolarHBondContact O-N 2.9Å
447Y98.4Very high98Very high43 Ų4326.4 Ų26.417%0.16916%0.158CC..G310 helixtrans-96-16.9-179.4-56.8-81.7000112.9H397 K401 M444 D445 L450 L451H397-Y447 HydrophobicContact CB-CD1 4.12Å; H397-Y447 HydrophobicContact CB-CD2 3.75Å; H397-Y447 HydrophobicContact CB-CE1 4.2Å; H397-Y447 HydrophobicContact CB-CE2 3.85Å; H397-Y447 HydrophobicContact CB-CG 3.9Å; K401-Y447 HydrophobicContact CB-CD1 4.03Å; K401-Y447 HydrophobicContact CB-CE1 3.93Å; K401-Y447 HydrophobicContact CD-CD1 4.26Å; K401-Y447 HydrophobicContact CD-CE1 3.93Å; K401-Y447 HydrophobicContact CG-CE1 4.5Å; M444-Y447 HydrophobicContact CB-CD2 4.3Å; M444-Y447 HydrophobicContact CG-CD2 4.36Å; M444-Y447 PolarHBondContact O-N 2.98Å; M444-Y447 VanDerWaalsContact O-N 3.09Å; D445-Y447 PolarHBondContact O-N 2.87Å; Y447-L450 PolarHBondContact O-N 2.91Å; Y447-L451 WeakPolarHBondContact O-CB 3.4Å; Y447-L451 VanDerWaalsContact O-CG 3.27Å; Y447-L451 WeakPolarHBondContact O-CG 3.17Å; Y447-L451 PolarHBondContact O-N 2.92Å
448V98.5Very high98.1Very high1 Ų127.3 Ų27.31%0.00616%0.163CC..Hα-helixtrans-63.7-57.3-165.2178.40000112.9D445 L450 L451 Q452 M460 V470 A473D445-V448 PolarHBondContact O-N 3.18Å; V448-L450 PolarHBondContact O-N 3.5Å; V448-L451 PolarHBondContact O-N 3.05Å; V448-Q452 HydrophobicContact CG1-CG 4.3Å; V448-Q452 WeakPolarHBondContact O-CB 3.19Å; V448-Q452 WeakPolarHBondContact O-CG 3.46Å; V448-Q452 PolarHBondContact O-N 2.8Å; V448-M460 HydrophobicContact CB-SD 4.25Å; V448-M460 HydrophobicContact CG1-CE 3.84Å; V448-M460 HydrophobicContact CG1-SD 3.63Å; V448-M460 HydrophobicContact CG2-SD 3.59Å; V448-M460 VanDerWaalsContact CG2-SD 3.59Å; V448-V470 HydrophobicContact CB-CG2 4.45Å; V448-V470 HydrophobicContact CG1-CG1 4.33Å; V448-V470 HydrophobicContact CG2-CG1 4.44Å; V448-V470 HydrophobicContact CG2-CG2 4.02Å; V448-A473 HydrophobicContact CG1-CB 3.91Å
449D98.6Very high98.1Very high65 Ų6527.4 Ų27.435%0.34816%0.163SC..Hα-helixtrans-58.8-39-178.6-176.460.6000111.4S453 A473 K476 H477D449-S453 WeakPolarHBondContact O-CB 3.33Å; D449-S453 PolarHBondContact O-N 2.81Å; D449-A473 HydrophobicContact CB-CB 3.91Å; D449-K476 IonicContact OD1-NZ 3.73Å; D449-K476 PolarHBondContact OD1-NZ 3.09Å; D449-K476 IonicContact OD2-NZ 3.59Å; D449-K476 PolarHBondContact OD2-NZ 3.44Å; D449-H477 IonicContact OD1-CD2 3.87Å; D449-H477 IonicContact OD1-CE1 2.97Å; D449-H477 IonicContact OD1-NE2 2.78Å; D449-H477 PolarHBondContact OD1-NE2 3.39Å
450L98.3Very high98.2Very high48 Ų4826.9 Ų26.925%0.25116%0.16SC..Hα-helixtrans-66-45.5179.1179.565.4000112.5K401 I404 Y447 V448 S453 H454K401-L450 HydrophobicContact CD-CD2 4.42Å; K401-L450 HydrophobicContact CG-CD2 3.85Å; I404-L450 HydrophobicContact CD1-CD2 4.37Å; I404-L450 HydrophobicContact CD1-CG 4.06Å; I404-L450 HydrophobicContact CG2-CD1 4.17Å; Y447-L450 PolarHBondContact O-N 2.91Å; V448-L450 PolarHBondContact O-N 3.5Å; L450-S453 PolarHBondContact O-OG 2.8Å; L450-H454 PolarHBondContact O-ND1 3.07Å
451L98.4Very high98.2Very high1 Ų126.2 Ų26.21%0.00516%0.156CC..Hα-helixtrans-69.2-41.7179.6-67.9176.4000110.9L400 I404 L410 Y447 V448 S453 H454 G455 G456L400-L451 HydrophobicContact CB-CD2 4.12Å; I404-L451 HydrophobicContact CD1-CD2 3.96Å; L410-L451 HydrophobicContact CD1-CB 4.49Å; L410-L451 HydrophobicContact CD1-CD2 3.82Å; L410-L451 HydrophobicContact CD2-CD2 3.7Å; L410-L451 HydrophobicContact CG-CD2 4.39Å; Y447-L451 WeakPolarHBondContact O-CB 3.4Å; Y447-L451 VanDerWaalsContact O-CG 3.27Å; Y447-L451 WeakPolarHBondContact O-CG 3.17Å; Y447-L451 PolarHBondContact O-N 2.92Å; V448-L451 PolarHBondContact O-N 3.05Å; L451-S453 VanDerWaalsContact C-N 3.35Å; L451-S453 PolarHBondContact O-N 3.47Å; L451-H454 CarbonylContact O-C 3.56Å; L451-H454 PolarHBondContact O-N 3.25Å; L451-G455 PolarHBondContact O-N 3.29Å; L451-G456 CarbonylContact C-O 3.56Å; L451-G456 VanDerWaalsContact C-O 3.28Å; L451-G456 PolarHBondContact O-N 3.23Å
452Q98.6Very high98.2Very high6 Ų626.2 Ų26.23%0.02816%0.156CC..Hα-helixtrans-65.5-36.2177.7-71.6179.3-11.300112.3V448 H454 G455 G456 S457 M458 A473 H477V448-Q452 HydrophobicContact CG1-CG 4.3Å; V448-Q452 WeakPolarHBondContact O-CB 3.19Å; V448-Q452 WeakPolarHBondContact O-CG 3.46Å; V448-Q452 PolarHBondContact O-N 2.8Å; Q452-H454 PolarHBondContact O-N 2.84Å; Q452-H454 VanDerWaalsContact O-N 3.08Å; Q452-G455 PolarHBondContact O-N 2.95Å; Q452-G456 VanDerWaalsContact CA-O 3.24Å; Q452-G456 WeakPolarHBondContact CA-O 3.38Å; Q452-G456 PolarHBondContact N-O 2.9Å; Q452-S457 PolarHBondContact NE2-O 3.38Å; Q452-M458 HydrophobicContact CB-SD 4.13Å; Q452-M458 HydrophobicContact CG-SD 3.97Å; Q452-A473 VanDerWaalsContact OE1-C 3.26Å; Q452-A473 PolarHBondContact OE1-O 3.22Å; Q452-H477 HydrophobicContact CB-CB 3.87Å; Q452-H477 PolarHBondContact OE1-CD2 3.29Å
453S98.1Very high98.3Very high62 Ų6225.5 Ų25.543%0.43414%0.144SC..THydrogen-bonded Turntrans-63.7-15.3173.981.20000113.7D449 L450 L451D449-S453 WeakPolarHBondContact O-CB 3.33Å; D449-S453 PolarHBondContact O-N 2.81Å; L450-S453 PolarHBondContact O-OG 2.8Å; L451-S453 VanDerWaalsContact C-N 3.35Å; L451-S453 PolarHBondContact O-N 3.47Å
454H98.1Very high98.2Very high82 Ų8222.8 Ų22.838%0.3814%0.136SC..THydrogen-bonded Turntrans-108.214.7174.7-65.883000112.6L410 L450 L451 Q452 G456L410-H454 HydrophobicContact CD1-CB 3.69Å; L410-H454 HydrophobicContact CG-CB 4.18Å; L450-H454 PolarHBondContact O-ND1 3.07Å; L451-H454 CarbonylContact O-C 3.56Å; L451-H454 PolarHBondContact O-N 3.25Å; Q452-H454 PolarHBondContact O-N 2.84Å; Q452-H454 VanDerWaalsContact O-N 3.08Å; H454-G456 VanDerWaalsContact C-N 3.31Å; H454-G456 PolarHBondContact O-N 2.78Å
455G97.4Very high98.1Very high36 Ų3625.3 Ų25.337%0.37115%0.149SC..THydrogen-bonded Turntrans76.59.6177.100000115.3L451 Q452L451-G455 PolarHBondContact O-N 3.29Å; Q452-G455 PolarHBondContact O-N 2.95Å
456G97.5Very high98.1Very high0 Ų025.6 Ų25.60%015%0.15CC..  trans-101.7165.8177.700000112.8I414 L451 Q452 H454 M458I414-G456 WeakPolarHBondContact O-CA 3.48Å; L451-G456 CarbonylContact C-O 3.56Å; L451-G456 VanDerWaalsContact C-O 3.28Å; L451-G456 PolarHBondContact O-N 3.23Å; Q452-G456 VanDerWaalsContact CA-O 3.24Å; Q452-G456 WeakPolarHBondContact CA-O 3.38Å; Q452-G456 PolarHBondContact N-O 2.9Å; H454-G456 VanDerWaalsContact C-N 3.31Å; H454-G456 PolarHBondContact O-N 2.78Å; G456-M458 PolarHBondContact O-N 2.8Å; G456-M458 VanDerWaalsContact O-N 3.12Å
457S97.8Very high98.1Very high1 Ų123.9 Ų23.91%0.00714%0.137CC..  trans56.132.9173-1700000113.9I414 I419 Q452 I459 M460I414-S457 PolarHBondContact O-N 2.92Å; I419-S457 WeakPolarHBondContact CG2-OG 3.26Å; Q452-S457 PolarHBondContact NE2-O 3.38Å; S457-I459 VanDerWaalsContact C-N 3.32Å; S457-I459 PolarHBondContact O-N 2.87Å; S457-M460 VanDerWaalsContact OG-CG 3.23Å; S457-M460 WeakPolarHBondContact OG-CG 3.26Å
458M98.7Very high98Very high20 Ų2026.5 Ų26.510%0.09915%0.151CC..SBendtrans-67.2-33.4179-67.4-52-61.200112.3M367 L371 Q452 G456 H477 G479 F480M367-M458 HydrophobicContact CG-CB 4.23Å; M367-M458 HydrophobicContact SD-CB 4.11Å; L371-M458 HydrophobicContact CD1-CB 4.18Å; L371-M458 HydrophobicContact CD1-CE 4.17Å; L371-M458 HydrophobicContact CD2-CB 4.32Å; Q452-M458 HydrophobicContact CB-SD 4.13Å; Q452-M458 HydrophobicContact CG-SD 3.97Å; G456-M458 PolarHBondContact O-N 2.8Å; G456-M458 VanDerWaalsContact O-N 3.12Å; M458-H477 HydrophobicContact CE-CB 4.2Å; M458-H477 WeakPolarHBondContact CE-O 3.4Å; M458-G479 CarbonylContact O-C 3.55Å; M458-G479 WeakPolarHBondContact O-CA 3.41Å; M458-F480 PolarHBondContact O-N 3.24Å
459I98.8Very high98Very high1 Ų131.3 Ų31.31%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-121121.5171.6-57.8173.3000107.6M367 I370 L371 L374 P418 I419 S457 L482M367-I459 HydrophobicContact CE-CD1 4.5Å; M367-I459 HydrophobicContact SD-CD1 3.57Å; M367-I459 VanDerWaalsContact SD-CD1 3.57Å; M367-I459 HydrophobicContact SD-CG1 3.82Å; I370-I459 HydrophobicContact CB-CD1 4.08Å; I370-I459 HydrophobicContact CG2-CD1 3.42Å; I370-I459 VanDerWaalsContact CG2-CD1 3.42Å; L371-I459 HydrophobicContact CD2-CD1 3.99Å; L371-I459 HydrophobicContact CD2-CG1 3.6Å; L371-I459 HydrophobicContact CG-CD1 4.49Å; L374-I459 HydrophobicContact CD1-CD1 3.72Å; L374-I459 HydrophobicContact CD1-CG1 4.13Å; L374-I459 HydrophobicContact CD1-CG2 4.46Å; P418-I459 CarbonylContact C-O 3.46Å; P418-I459 VanDerWaalsContact CA-O 3.32Å; P418-I459 WeakPolarHBondContact CA-O 3.2Å; P418-I459 HydrophobicContact CB-CB 3.97Å; P418-I459 HydrophobicContact CB-CG2 3.89Å; P418-I459 HydrophobicContact CG-CB 4.15Å; P418-I459 HydrophobicContact CG-CD1 4.4Å; P418-I459 HydrophobicContact CG-CG2 4.13Å; I419-I459 PolarHBondContact N-O 3.34Å; S457-I459 VanDerWaalsContact C-N 3.32Å; S457-I459 PolarHBondContact O-N 2.87Å; I459-L482 HydrophobicContact CG2-CD1 3.69Å; I459-L482 HydrophobicContact CG2-CG 4.01Å
460M98.8Very high98Very high0 Ų028.2 Ų28.20%016%0.157CC..EExtended strand (participates in β ladder)trans-112.3136.8179.6-61161.3-72.600109.2I419 Y421 V448 S457 R466 V470 C474 F480 Y481 L482I419-M460 HydrophobicContact CG2-CB 4.47Å; I419-M460 HydrophobicContact CG2-CG 3.99Å; I419-M460 CarbonylContact O-C 3.57Å; I419-M460 WeakPolarHBondContact O-CA 3.14Å; Y421-M460 HydrophobicContact CE2-CB 4.47Å; Y421-M460 VanDerWaalsContact OH-CG 3.29Å; Y421-M460 WeakPolarHBondContact OH-CG 3.35Å; Y421-M460 PolarHBondContact OH-SD 2.96Å; Y421-M460 VanDerWaalsContact OH-SD 3.34Å; V448-M460 HydrophobicContact CB-SD 4.25Å; V448-M460 HydrophobicContact CG1-CE 3.84Å; V448-M460 HydrophobicContact CG1-SD 3.63Å; V448-M460 HydrophobicContact CG2-SD 3.59Å; V448-M460 VanDerWaalsContact CG2-SD 3.59Å; S457-M460 VanDerWaalsContact OG-CG 3.23Å; S457-M460 WeakPolarHBondContact OG-CG 3.26Å; M460-R466 PolarHBondContact SD-NH1 2.87Å; M460-V470 HydrophobicContact CE-CG1 4.21Å; M460-C474 VanDerWaalsContact CE-SG 3.59Å; M460-F480 WeakPolarHBondContact CE-O 3.44Å; M460-F480 PolarHBondContact N-O 3.07Å; M460-Y481 HydrophobicContact CB-CD2 4.26Å; M460-L482 PolarHBondContact O-N 2.77Å
461L98.7Very high98Very high1 Ų126 Ų261%0.00515%0.145CC..EExtended strand (participates in β ladder)trans-124.5125.7177.8-178.666.8000109.1L385 I389 I419 Y420 Y421 L482 F521 A523L385-L461 HydrophobicContact CD1-CD1 4.32Å; L385-L461 HydrophobicContact CD1-CD2 4.17Å; I389-L461 HydrophobicContact CD1-CD2 3.97Å; I419-L461 PolarHBondContact O-N 2.94Å; Y420-L461 CarbonylContact C-O 3.52Å; Y420-L461 VanDerWaalsContact CA-O 3.3Å; Y420-L461 WeakPolarHBondContact CA-O 3.34Å; Y420-L461 HydrophobicContact CD2-CB 3.93Å; Y420-L461 HydrophobicContact CD2-CD2 3.71Å; Y420-L461 HydrophobicContact CD2-CG 3.58Å; Y420-L461 VanDerWaalsContact CD2-O 3.29Å; Y420-L461 WeakPolarHBondContact CD2-O 3.17Å; Y420-L461 HydrophobicContact CE2-CD2 4.2Å; Y420-L461 HydrophobicContact CE2-CG 4.06Å; Y420-L461 HydrophobicContact CG-CD2 4.13Å; Y420-L461 HydrophobicContact CG-CG 4.4Å; Y421-L461 PolarHBondContact N-O 2.79Å; L461-L482 WeakPolarHBondContact CA-O 3.46Å; L461-L482 HydrophobicContact CD1-CB 3.64Å; L461-F521 HydrophobicContact CD1-CE1 4.23Å; L461-F521 HydrophobicContact CD2-CD1 4.04Å; L461-F521 HydrophobicContact CD2-CE1 3.62Å; L461-F521 HydrophobicContact CD2-CZ 4.08Å; L461-F521 HydrophobicContact CG-CE1 4.28Å; L461-A523 HydrophobicContact CD1-CB 3.77Å
462A98.4Very high98Very high0 Ų030.1 Ų30.10%017%0.167CC..EExtended strand (participates in β ladder)trans-169.5-165.1-17700000110.8Y421 A441 Y481 L482 G483 S484Y421-A462 HydrophobicContact CD2-CB 3.43Å; Y421-A462 VanDerWaalsContact CD2-CB 3.43Å; Y421-A462 HydrophobicContact CE2-CB 4.29Å; Y421-A462 HydrophobicContact CG-CB 3.92Å; A441-A462 HydrophobicContact CB-CB 3.56Å; A462-Y481 HydrophobicContact CB-CE2 3.86Å; A462-Y481 PolarHBondContact O-OH 3.28Å; A462-L482 PolarHBondContact N-O 2.8Å; A462-L482 VanDerWaalsContact N-O 3.09Å; A462-G483 CarbonylContact O-C 3.55Å; A462-G483 WeakPolarHBondContact O-CA 3.43Å; A462-S484 PolarHBondContact O-N 2.91Å
463K97.9Very high98Very high16 Ų1629.9 Ų29.97%0.0717%0.167CC..BIsolated β-bridgetrans-121.4154.2171.560.2154.1-177.5155.70113.5A222 C224 P438 T439 T440 A441 Y481A222-K463 WeakPolarHBondContact O-CE 3.49Å; A222-K463 PolarHBondContact O-NZ 3.01Å; C224-K463 WeakPolarHBondContact SG-CD 3.46Å; C224-K463 PolarHBondContact SG-NZ 3.18Å; P438-K463 HydrophobicContact CB-CB 3.92Å; P438-K463 HydrophobicContact CB-CG 3.89Å; P438-K463 HydrophobicContact CG-CB 3.69Å; P438-K463 HydrophobicContact CG-CD 4.38Å; P438-K463 HydrophobicContact CG-CG 3.87Å; P438-K463 WeakPolarHBondContact O-CE 3.45Å; T439-K463 WeakPolarHBondContact O-CG 3.18Å; T439-K463 PolarHBondContact O-N 3.38Å; T439-K463 VanDerWaalsContact O-N 3.15Å; T440-K463 WeakPolarHBondContact CA-O 3.39Å; A441-K463 WeakPolarHBondContact CB-O 3.43Å; A441-K463 PolarHBondContact N-O 3.1Å; K463-Y481 WeakPolarHBondContact CA-OH 3.25Å; K463-Y481 PolarHBondContact N-OH 3.06Å
464G96.8Very high98.1Very high6 Ų627 Ų276%0.06215%0.146CC..SBendtrans92.3158.2171.100000114.6T221 Y481T221-G464 WeakPolarHBondContact OG1-CA 3.44Å; G464-Y481 PolarHBondContact N-OH 3.24Å; G464-Y481 WeakPolarHBondContact O-CE1 3.46Å; G464-Y481 PolarHBondContact O-OH 3.07Å
465N96.3Very high98.1Very high53 Ų5328.3 Ų28.328%0.28315%0.152SC..  trans-63.5151.2171.764.2-69.5000112.1G220 T221 F535G220-N465 WeakPolarHBondContact CA-OD1 3.43Å; T221-N465 PolarHBondContact N-OD1 3.46Å; T221-N465 PolarHBondContact OG1-N 3.3Å; T221-N465 VanDerWaalsContact OG1-N 3.12Å; N465-F535 HydrophobicContact CB-CB 4.18Å; N465-F535 HydrophobicContact CB-CD1 4.33Å; N465-F535 HydrophobicContact CB-CD2 3.35Å; N465-F535 HydrophobicContact CB-CE2 3.69Å; N465-F535 HydrophobicContact CB-CG 3.69Å; N465-F535 HydrophobicContact CB-CZ 4.36Å
466R97.9Very high98.1Very high16 Ų1633 Ų336%0.0616%0.162CC..  trans-118.5170-178.5-57-167.675.3179.12.4110.7A441 D445 M460 V470 Y481A441-R466 HydrophobicContact CB-CG 3.72Å; A441-R466 PolarHBondContact O-NH2 2.81Å; D445-R466 IonicContact OD1-CZ 3.38Å; D445-R466 IonicContact OD1-NE 3.28Å; D445-R466 PolarHBondContact OD1-NE 3.05Å; D445-R466 IonicContact OD1-NH2 2.77Å; D445-R466 PolarHBondContact OD1-NH2 3.04Å; M460-R466 PolarHBondContact SD-NH1 2.87Å; R466-V470 HydrophobicContact CB-CB 4.21Å; R466-V470 HydrophobicContact CB-CG2 4.18Å; R466-Y481 VanDerWaalsContact CD-CD1 3.48Å; R466-Y481 HydrophobicContact CG-CD1 3.87Å; R466-Y481 HydrophobicContact CG-CE1 3.7Å
467S97.4Very high98.2Very high43 Ų4335.5 Ų35.530%0.30117%0.174SC..  trans-81.6160.3176.3600000112.3D445 Q469 V470D445-S467 VanDerWaalsContact OD2-CB 3.31Å; D445-S467 WeakPolarHBondContact OD2-CB 3.41Å; D445-S467 PolarHBondContact OD2-N 2.79Å; D445-S467 PolarHBondContact OD2-OG 3.18Å; S467-Q469 PolarHBondContact O-N 3.35Å; S467-Q469 VanDerWaalsContact O-N 3.09Å; S467-Q469 WeakPolarHBondContact OG-CG 3.28Å; S467-Q469 PolarHBondContact OG-NE2 2.88Å; S467-V470 PolarHBondContact O-N 3.11Å
468Q97.6Very high98.2Very high99 Ų9936.6 Ų36.646%0.46319%0.186SC..Hα-helixtrans-53.8-31.6-179.2-174.161.348.300113.4V470 T471 D472Q468-V470 PolarHBondContact O-N 3.44Å; Q468-V470 VanDerWaalsContact O-N 3.12Å; Q468-T471 WeakPolarHBondContact O-CB 3.39Å; Q468-T471 PolarHBondContact O-N 3.01Å; Q468-D472 PolarHBondContact NE2-OD1 3.38Å; Q468-D472 VanDerWaalsContact O-CG 3.29Å; Q468-D472 PolarHBondContact O-N 3.2Å
469Q98.1Very high98.2Very high102 Ų10235.7 Ų35.748%0.47718%0.181SC..Hα-helixtrans-57.8-29.917980.7-168.3-7100112.9D445 S467 A473D445-Q469 HydrophobicContact CB-CG 4.23Å; S467-Q469 PolarHBondContact O-N 3.35Å; S467-Q469 VanDerWaalsContact O-N 3.09Å; S467-Q469 WeakPolarHBondContact OG-CG 3.28Å; S467-Q469 PolarHBondContact OG-NE2 2.88Å; Q469-A473 VanDerWaalsContact O-CB 3.28Å; Q469-A473 WeakPolarHBondContact O-CB 3.44Å; Q469-A473 PolarHBondContact O-N 3.3Å
470V98.6Very high98.2Very high0 Ų035.6 Ų35.60%018%0.181CC..Hα-helixtrans-76.5-41.9178.6178.70000110.5D445 V448 M460 R466 S467 Q468 D472 A473 C474D445-V470 HydrophobicContact CB-CG2 3.8Å; D445-V470 VanDerWaalsContact CG-CG2 3.49Å; V448-V470 HydrophobicContact CB-CG2 4.45Å; V448-V470 HydrophobicContact CG1-CG1 4.33Å; V448-V470 HydrophobicContact CG2-CG1 4.44Å; V448-V470 HydrophobicContact CG2-CG2 4.02Å; M460-V470 HydrophobicContact CE-CG1 4.21Å; R466-V470 HydrophobicContact CB-CB 4.21Å; R466-V470 HydrophobicContact CB-CG2 4.18Å; S467-V470 PolarHBondContact O-N 3.11Å; Q468-V470 PolarHBondContact O-N 3.44Å; Q468-V470 VanDerWaalsContact O-N 3.12Å; V470-D472 VanDerWaalsContact C-N 3.29Å; V470-D472 PolarHBondContact O-N 3.17Å; V470-A473 PolarHBondContact O-N 3.12Å; V470-C474 WeakPolarHBondContact O-CB 3.41Å; V470-C474 PolarHBondContact O-N 2.83Å; V470-C474 PolarHBondContact O-SG 2.66Å
471T98.5Very high98.2Very high1 Ų135.7 Ų35.71%0.00618%0.181CC..Hα-helixtrans-58.9-43.6173.1-55.20000111.2Q468 H475 V527 G531 D533Q468-T471 WeakPolarHBondContact O-CB 3.39Å; Q468-T471 PolarHBondContact O-N 3.01Å; T471-H475 WeakPolarHBondContact O-CB 3.48Å; T471-H475 PolarHBondContact O-N 3.39Å; T471-V527 HydrophobicContact CG2-CG1 4.27Å; T471-G531 WeakPolarHBondContact CG2-O 3.49Å; T471-D533 HydrophobicContact CG2-CB 4.41Å
472D98.6Very high98.2Very high87 Ų8735.8 Ų35.847%0.46518%0.181SC..Hα-helixtrans-67.1-41.7177.8-61.5-15.9000111.8Q468 V470 H475 K476Q468-D472 PolarHBondContact NE2-OD1 3.38Å; Q468-D472 VanDerWaalsContact O-CG 3.29Å; Q468-D472 PolarHBondContact O-N 3.2Å; V470-D472 VanDerWaalsContact C-N 3.29Å; V470-D472 PolarHBondContact O-N 3.17Å; D472-H475 PolarHBondContact O-N 3.37Å; D472-K476 VanDerWaalsContact O-CB 3.26Å; D472-K476 WeakPolarHBondContact O-CB 3.17Å; D472-K476 PolarHBondContact O-N 3.5Å
473A98.7Very high98.2Very high2 Ų235.8 Ų35.82%0.01718%0.182CC..Hα-helixtrans-64.3-47.2176.700000112.1V448 D449 Q452 Q469 V470 H475 K476 H477V448-A473 HydrophobicContact CG1-CB 3.91Å; D449-A473 HydrophobicContact CB-CB 3.91Å; Q452-A473 VanDerWaalsContact OE1-C 3.26Å; Q452-A473 PolarHBondContact OE1-O 3.22Å; Q469-A473 VanDerWaalsContact O-CB 3.28Å; Q469-A473 WeakPolarHBondContact O-CB 3.44Å; Q469-A473 PolarHBondContact O-N 3.3Å; V470-A473 PolarHBondContact O-N 3.12Å; A473-H475 VanDerWaalsContact C-N 3.31Å; A473-H475 PolarHBondContact O-N 3.29Å; A473-K476 PolarHBondContact O-N 3.06Å; A473-K476 VanDerWaalsContact O-N 3.15Å; A473-H477 PolarHBondContact O-CD2 2.84Å; A473-H477 VanDerWaalsContact O-CD2 3.27Å; A473-H477 PolarHBondContact O-N 2.9Å
474C98.8Very high98.1Very high0 Ų035.1 Ų35.10%018%0.179CC..Hα-helixtrans-56.9-44.4175.5-82.30000111.6M460 V470 G478 G479 V527M460-C474 VanDerWaalsContact CE-SG 3.59Å; V470-C474 WeakPolarHBondContact O-CB 3.41Å; V470-C474 PolarHBondContact O-N 2.83Å; V470-C474 PolarHBondContact O-SG 2.66Å; C474-G478 CarbonylContact O-C 3.42Å; C474-G478 VanDerWaalsContact O-CA 3.28Å; C474-G478 WeakPolarHBondContact O-CA 3.44Å; C474-G478 PolarHBondContact O-N 2.91Å; C474-G479 VanDerWaalsContact CB-O 3.28Å; C474-G479 WeakPolarHBondContact CB-O 3.33Å; C474-G479 PolarHBondContact O-N 3.32Å; C474-G479 VanDerWaalsContact SG-C 3.52Å; C474-G479 PolarHBondContact SG-O 3.21Å; C474-V527 HydrophobicContact CB-CG1 3.72Å
475H98.5Very high98Very high110 Ų11035 Ų3551%0.50918%0.177SC..Hα-helixtrans-64.5-43.1175.5-174.1-173.5000112.3T471 D472 A473T471-H475 WeakPolarHBondContact O-CB 3.48Å; T471-H475 PolarHBondContact O-N 3.39Å; D472-H475 PolarHBondContact O-N 3.37Å; A473-H475 VanDerWaalsContact C-N 3.31Å; A473-H475 PolarHBondContact O-N 3.29Å
476K98.6Very high98Very high134 Ų13432.4 Ų32.458%0.58316%0.163SC*.Hα-helixtrans-65.8-41.1-178.5176.5-179.2165.7-161.60113.2D449 D472 A473D449-K476 IonicContact OD1-NZ 3.73Å; D449-K476 PolarHBondContact OD1-NZ 3.09Å; D449-K476 IonicContact OD2-NZ 3.59Å; D449-K476 PolarHBondContact OD2-NZ 3.44Å; D472-K476 VanDerWaalsContact O-CB 3.26Å; D472-K476 WeakPolarHBondContact O-CB 3.17Å; D472-K476 PolarHBondContact O-N 3.5Å; A473-K476 PolarHBondContact O-N 3.06Å; A473-K476 VanDerWaalsContact O-N 3.15Å
477H98.5Very high97.9Very high54 Ų5432 Ų3225%0.2516%0.164CC..Hα-helixtrans-105.2-9.3-172-59.2-70.9000114D449 Q452 M458 A473D449-H477 IonicContact OD1-CD2 3.87Å; D449-H477 IonicContact OD1-CE1 2.97Å; D449-H477 IonicContact OD1-NE2 2.78Å; D449-H477 PolarHBondContact OD1-NE2 3.39Å; Q452-H477 HydrophobicContact CB-CB 3.87Å; Q452-H477 PolarHBondContact OE1-CD2 3.29Å; M458-H477 HydrophobicContact CE-CB 4.2Å; M458-H477 WeakPolarHBondContact CE-O 3.4Å; A473-H477 PolarHBondContact O-CD2 2.84Å; A473-H477 VanDerWaalsContact O-CD2 3.27Å; A473-H477 PolarHBondContact O-N 2.9Å
478G98.4Very high97.8Very high24 Ų2430.1 Ų30.125%0.24715%0.15CC..THydrogen-bonded Turntrans79.636.6-175.200000113.3C474C474-G478 CarbonylContact O-C 3.42Å; C474-G478 VanDerWaalsContact O-CA 3.28Å; C474-G478 WeakPolarHBondContact O-CA 3.44Å; C474-G478 PolarHBondContact O-N 2.91Å
479G98.5Very high97.9Very high0 Ų025.4 Ų25.40%013%0.128CC..  trans-98170.1-178.700000113.9M458 C474 D528 D529M458-G479 CarbonylContact O-C 3.55Å; M458-G479 WeakPolarHBondContact O-CA 3.41Å; C474-G479 VanDerWaalsContact CB-O 3.28Å; C474-G479 WeakPolarHBondContact CB-O 3.33Å; C474-G479 PolarHBondContact O-N 3.32Å; C474-G479 VanDerWaalsContact SG-C 3.52Å; C474-G479 PolarHBondContact SG-O 3.21Å; G479-D528 CarbonylContact O-C 3.56Å; G479-D529 PolarHBondContact O-N 3.27Å
480F98.8Very high97.9Very high0 Ų020.5 Ų20.50%011%0.106CC..EExtended strand (participates in β ladder)trans-134.6144.9-179.8-68.5-98.3000112L371 L374 M458 M460 I525 V527 D528 D529L371-F480 HydrophobicContact CB-CE2 4.44Å; L371-F480 HydrophobicContact CD2-CD2 3.5Å; L371-F480 VanDerWaalsContact CD2-CD2 3.5Å; L371-F480 HydrophobicContact CD2-CE2 3.82Å; L374-F480 HydrophobicContact CB-CD1 3.93Å; L374-F480 HydrophobicContact CB-CD2 4.16Å; L374-F480 HydrophobicContact CB-CE1 3.71Å; L374-F480 HydrophobicContact CB-CE2 3.96Å; L374-F480 HydrophobicContact CB-CG 4.16Å; L374-F480 HydrophobicContact CB-CZ 3.73Å; L374-F480 HydrophobicContact CD1-CB 4.18Å; L374-F480 HydrophobicContact CD1-CD1 4.38Å; L374-F480 HydrophobicContact CD1-CD2 4.11Å; L374-F480 HydrophobicContact CD1-CG 3.96Å; M458-F480 PolarHBondContact O-N 3.24Å; M460-F480 WeakPolarHBondContact CE-O 3.44Å; M460-F480 PolarHBondContact N-O 3.07Å; F480-I525 HydrophobicContact CD1-CG2 4.25Å; F480-V527 WeakPolarHBondContact CA-O 3.47Å; F480-D528 HydrophobicContact CD1-CB 4.27Å; F480-D528 HydrophobicContact CE1-CB 3.97Å; F480-D529 HydrophobicContact CE1-CB 4.35Å; F480-D529 HydrophobicContact CE2-CB 3.79Å; F480-D529 HydrophobicContact CZ-CB 3.66Å; F480-D529 VanDerWaalsContact CZ-OD1 3.28Å; F480-D529 WeakPolarHBondContact CZ-OD1 3.49Å
481Y98.7Very high97.7Very high2 Ų220.8 Ų20.81%0.00811%0.107CC..EExtended strand (participates in β ladder)trans-111.2121.2164.5172.9-134.1000110.2A441 M460 A462 K463 G464 R466 L526 V527A441-Y481 HydrophobicContact CB-CE1 4.46Å; A441-Y481 HydrophobicContact CB-CE2 4.04Å; M460-Y481 HydrophobicContact CB-CD2 4.26Å; A462-Y481 HydrophobicContact CB-CE2 3.86Å; A462-Y481 PolarHBondContact O-OH 3.28Å; K463-Y481 WeakPolarHBondContact CA-OH 3.25Å; K463-Y481 PolarHBondContact N-OH 3.06Å; G464-Y481 PolarHBondContact N-OH 3.24Å; G464-Y481 WeakPolarHBondContact O-CE1 3.46Å; G464-Y481 PolarHBondContact O-OH 3.07Å; R466-Y481 VanDerWaalsContact CD-CD1 3.48Å; R466-Y481 HydrophobicContact CG-CD1 3.87Å; R466-Y481 HydrophobicContact CG-CE1 3.7Å; Y481-L526 HydrophobicContact CD1-CB 3.68Å; Y481-L526 HydrophobicContact CD1-CD1 4.12Å; Y481-L526 HydrophobicContact CE1-CB 3.85Å; Y481-L526 HydrophobicContact CE1-CD1 3.4Å; Y481-L526 HydrophobicContact CE1-CG 4.25Å; Y481-L526 HydrophobicContact CG-CB 4.46Å; Y481-L526 PolarHBondContact O-N 2.91Å; Y481-V527 HydrophobicContact CD1-CG2 4.14Å; Y481-V527 PolarHBondContact N-O 3.08Å; Y481-V527 PolarHBondContact O-N 3.03Å; Y481-V527 VanDerWaalsContact O-N 3.16Å
482L98.6Very high97.6Very high2 Ų220.9 Ų20.91%0.0111%0.108CC..EExtended strand (participates in β ladder)trans-101.9125.4175.8-52.9-174.1000110.3L383 L385 I459 M460 L461 A462 A523 F524 I525L383-L482 HydrophobicContact CD1-CD1 3.98Å; L383-L482 HydrophobicContact CD1-CD2 3.65Å; L383-L482 HydrophobicContact CD1-CG 4.42Å; L385-L482 HydrophobicContact CD1-CD1 4Å; L385-L482 HydrophobicContact CD2-CD1 4.26Å; I459-L482 HydrophobicContact CG2-CD1 3.69Å; I459-L482 HydrophobicContact CG2-CG 4.01Å; M460-L482 PolarHBondContact O-N 2.77Å; L461-L482 WeakPolarHBondContact CA-O 3.46Å; L461-L482 HydrophobicContact CD1-CB 3.64Å; A462-L482 PolarHBondContact N-O 2.8Å; A462-L482 VanDerWaalsContact N-O 3.09Å; L482-A523 HydrophobicContact CB-CB 4.2Å; L482-F524 CarbonylContact C-O 3.56Å; L482-F524 VanDerWaalsContact CA-O 3.23Å; L482-F524 WeakPolarHBondContact CA-O 3.38Å; L482-I525 HydrophobicContact CD2-CB 4.46Å; L482-I525 HydrophobicContact CD2-CG1 3.93Å
483G97.4Very high97.5Very high1 Ų116.7 Ų16.71%0.019%0.085CC..EExtended strand (participates in β ladder)trans-89118.9173.600000111.8A462 A523 F524A462-G483 CarbonylContact O-C 3.55Å; A462-G483 WeakPolarHBondContact O-CA 3.43Å; G483-A523 CarbonylContact O-C 3.49Å; G483-A523 VanDerWaalsContact O-CA 3.27Å; G483-A523 WeakPolarHBondContact O-CA 3.42Å; G483-F524 PolarHBondContact N-O 2.99Å; G483-F524 PolarHBondContact O-N 2.81Å
484S96.7Very high97.4Very high1 Ų120.1 Ų20.11%0.00710%0.101CC..PPolyproline II helixtrans-91.2155.5164.2-174.80000110.1A462 G486 F521A462-S484 PolarHBondContact O-N 2.91Å; S484-G486 PolarHBondContact O-N 3.45Å; S484-F521 WeakPolarHBondContact OG-CE1 3.35Å
485I95.3Very high97.1Very high3 Ų323.9 Ų23.92%0.01512%0.118CC..PPolyproline II helixtrans-64.7119.8173.9-52.8174000108.4Y85 V86 Q89 F90 F289 P438 P488 F524Y85-I485 HydrophobicContact CD1-CD1 3.96Å; Y85-I485 HydrophobicContact CE1-CD1 3.58Å; V86-I485 HydrophobicContact CG1-CG2 4.05Å; V86-I485 HydrophobicContact CG2-CD1 4.22Å; V86-I485 HydrophobicContact CG2-CG1 4.31Å; V86-I485 HydrophobicContact CG2-CG2 4.14Å; Q89-I485 HydrophobicContact CB-CD1 4.26Å; Q89-I485 HydrophobicContact CG-CD1 3.85Å; F90-I485 HydrophobicContact CE1-CG2 4.49Å; F289-I485 HydrophobicContact CE2-CB 4.44Å; F289-I485 HydrophobicContact CE2-CG1 3.9Å; P438-I485 WeakPolarHBondContact CD-O 3.21Å; I485-P488 HydrophobicContact CB-CG 3.95Å; I485-P488 HydrophobicContact CG2-CG 3.7Å; I485-P488 WeakPolarHBondContact O-CD 3.33Å; I485-F524 HydrophobicContact CG1-CE2 4.42Å
486G96.4Very high97Very high0 Ų018.8 Ų18.80%010%0.095CC..SBendtrans-77.5126.9173.800000111.7F90 C224 Q288 S484 P488F90-G486 VanDerWaalsContact CE1-O 3.27Å; F90-G486 WeakPolarHBondContact CE1-O 3.34Å; F90-G486 WeakPolarHBondContact CZ-O 3.38Å; C224-G486 WeakPolarHBondContact CB-O 3.3Å; C224-G486 VanDerWaalsContact SG-CA 3.58Å; C224-G486 PolarHBondContact SG-O 3.09Å; Q288-G486 PolarHBondContact NE2-O 3.18Å; S484-G486 PolarHBondContact O-N 3.45Å; G486-P488 WeakPolarHBondContact O-CD 2.77Å
487G95.4Very high97Very high7 Ų712.4 Ų12.47%0.0727%0.068CC..SBendtrans117.6-48.1175.400000115.5A489G487-A489 PolarHBondContact O-N 3.49Å
488P95.9Very high97Very high3 Ų314.2 Ų14.22%0.0198%0.075CC..  trans-77.259.5-174.434.2-37.2000113.3Q89 F90 N93 I485 G486 V491 L492Q89-P488 HydrophobicContact CB-CB 4.3Å; Q89-P488 HydrophobicContact CB-CG 4.32Å; F90-P488 HydrophobicContact CD1-CB 4.5Å; N93-P488 HydrophobicContact CB-CB 3.76Å; N93-P488 VanDerWaalsContact OD1-CA 3.25Å; N93-P488 WeakPolarHBondContact OD1-CA 3.37Å; I485-P488 HydrophobicContact CB-CG 3.95Å; I485-P488 HydrophobicContact CG2-CG 3.7Å; I485-P488 WeakPolarHBondContact O-CD 3.33Å; G486-P488 WeakPolarHBondContact O-CD 2.77Å; P488-V491 HydrophobicContact CB-CB 4.3Å; P488-L492 WeakPolarHBondContact O-CG 3.48Å; P488-L492 PolarHBondContact O-N 2.75Å
489A98.1Very high96.9Very high0 Ų017.4 Ų17.40%08%0.083CC..Hα-helixtrans-72.1-32.5-171.500000114.2N93 Q106 L436 G437 G487 A493N93-A489 PolarHBondContact OD1-N 3.47Å; N93-A489 VanDerWaalsContact OD1-N 3.14Å; Q106-A489 HydrophobicContact CB-CB 4.2Å; Q106-A489 VanDerWaalsContact N-CB 3.35Å; L436-A489 PolarHBondContact N-O 3.17Å; G437-A489 VanDerWaalsContact N-CB 3.33Å; G487-A489 PolarHBondContact O-N 3.49Å; A489-A493 WeakPolarHBondContact O-CB 3.38Å; A489-A493 PolarHBondContact O-N 2.85Å; A489-A493 VanDerWaalsContact O-N 3.09Å
490A97.9Very high96.9Very high0 Ų018.8 Ų18.80%09%0.09CC..Hα-helixtrans-72.8-38.6177.400000111.2N93 I96 L102 A493 Q494N93-A490 WeakPolarHBondContact OD1-CA 3.39Å; N93-A490 VanDerWaalsContact OD1-CB 3.27Å; N93-A490 WeakPolarHBondContact OD1-CB 3.18Å; N93-A490 PolarHBondContact OD1-N 3.45Å; I96-A490 HydrophobicContact CB-CB 4.39Å; I96-A490 HydrophobicContact CG2-CB 3.88Å; L102-A490 HydrophobicContact CB-CB 3.75Å; L102-A490 HydrophobicContact CD1-CB 4.41Å; A490-A493 PolarHBondContact O-N 3.3Å; A490-Q494 WeakPolarHBondContact O-CB 3.38Å; A490-Q494 PolarHBondContact O-N 2.71Å
491V95.7Very high96.8Very high5 Ų522.5 Ų22.53%0.0311%0.108CC..Hα-helixtrans-57.3-52170.5145.10000110.9R92 N93 I96 P488 A493 Q494 Q495R92-V491 HydrophobicContact CB-CG2 3.87Å; N93-V491 HydrophobicContact CB-CB 4.32Å; N93-V491 HydrophobicContact CB-CG2 4.03Å; N93-V491 PolarHBondContact OD1-N 2.83Å; N93-V491 VanDerWaalsContact OD1-N 3.11Å; I96-V491 HydrophobicContact CD1-CB 4.34Å; I96-V491 HydrophobicContact CD1-CG2 3.47Å; I96-V491 VanDerWaalsContact CD1-CG2 3.47Å; P488-V491 HydrophobicContact CB-CB 4.3Å; V491-A493 VanDerWaalsContact C-N 3.32Å; V491-A493 PolarHBondContact O-N 2.92Å; V491-Q494 PolarHBondContact O-N 2.99Å; V491-Q495 WeakPolarHBondContact O-CB 3.37Å; V491-Q495 PolarHBondContact O-N 3.46Å
492L96.4Very high96.8Very high3 Ų324.9 Ų24.92%0.01612%0.124CC..Hα-helixtrans-61.1-41.8-178.7-71.4172000111.8P488 S496 I497 F521 P522P488-L492 WeakPolarHBondContact O-CG 3.48Å; P488-L492 PolarHBondContact O-N 2.75Å; L492-S496 PolarHBondContact O-N 2.93Å; L492-I497 PolarHBondContact O-N 3.44Å; L492-F521 HydrophobicContact CD1-CE2 4.32Å; L492-F521 HydrophobicContact CD1-CZ 4.13Å; L492-F521 HydrophobicContact CD2-CD2 4.22Å; L492-F521 HydrophobicContact CD2-CE2 3.92Å; L492-F521 HydrophobicContact CD2-CZ 4.1Å; L492-P522 HydrophobicContact CD2-CG 3.94Å
493A97.1Very high96.7Very high0 Ų027.5 Ų27.50%014%0.14CC..Hα-helixtrans-64.3-40.4177.500000113L102 G434 A489 A490 V491L102-A493 HydrophobicContact CD1-CB 4.28Å; L102-A493 HydrophobicContact CD2-CB 4.49Å; G434-A493 WeakPolarHBondContact O-CB 3.39Å; A489-A493 WeakPolarHBondContact O-CB 3.38Å; A489-A493 PolarHBondContact O-N 2.85Å; A489-A493 VanDerWaalsContact O-N 3.09Å; A490-A493 PolarHBondContact O-N 3.3Å; V491-A493 VanDerWaalsContact C-N 3.32Å; V491-A493 PolarHBondContact O-N 2.92Å
494Q94.7Very high96.7Very high74 Ų7428.3 Ų28.335%0.34615%0.147SC..Hα-helixtrans-79.9-37.3-177.8-178.2165.269.100113I96 L102 A490 V491I96-Q494 VanDerWaalsContact CG1-OE1 3.23Å; L102-Q494 HydrophobicContact CD1-CB 4.25Å; A490-Q494 WeakPolarHBondContact O-CB 3.38Å; A490-Q494 PolarHBondContact O-N 2.71Å; V491-Q494 PolarHBondContact O-N 2.99Å
495Q94Very high96.7Very high78 Ų7830.7 Ų30.736%0.36416%0.156SC..Hα-helixtrans-98.8-42.7-169.7-63.2-175.7-17.100112.4V491 K498V491-Q495 WeakPolarHBondContact O-CB 3.37Å; V491-Q495 PolarHBondContact O-N 3.46Å; Q495-K498 PolarHBondContact O-NZ 3.04Å
496S96.5Very high96.7Very high3 Ų335 Ų352%0.02118%0.184CC..THydrogen-bonded Turntrans-102.9-36.8-168.3-51.60000113.8L492 V518 E519 D520L492-S496 PolarHBondContact O-N 2.93Å; S496-V518 CarbonylContact O-C 3.56Å; S496-V518 VanDerWaalsContact O-CA 3.24Å; S496-V518 WeakPolarHBondContact O-CA 3.46Å; S496-E519 VanDerWaalsContact CA-O 3.22Å; S496-E519 WeakPolarHBondContact CA-O 3.22Å; S496-E519 WeakPolarHBondContact CB-O 3.38Å; S496-E519 PolarHBondContact O-N 3.5Å; S496-D520 PolarHBondContact OG-O 3.47Å
497I97.6Very high96.6Very high1 Ų141 Ų411%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-86.6120.6-174.2-61.6157.8000110.7P432 L436 L492 V518P432-I497 VanDerWaalsContact CG-O 3.26Å; P432-I497 WeakPolarHBondContact CG-O 3.48Å; L436-I497 HydrophobicContact CB-CD1 3.63Å; L436-I497 HydrophobicContact CD2-CD1 3.66Å; L436-I497 HydrophobicContact CG-CD1 3.92Å; L492-I497 PolarHBondContact O-N 3.44Å; I497-V518 HydrophobicContact CG1-CG1 4.15Å
498K98.2Very high96.6Very high91 Ų9142 Ų4240%0.39622%0.216SC..EExtended strand (participates in β ladder)trans-104.7-25.2-176-52-51.6-176.7-179.80113.5P432 Q495 E517 E519P432-K498 WeakPolarHBondContact CB-O 3.34Å; Q495-K498 PolarHBondContact O-NZ 3.04Å; K498-E517 PolarHBondContact N-O 3.38Å; K498-E519 VanDerWaalsContact CE-CD 3.5Å; K498-E519 WeakPolarHBondContact CE-OE2 3.29Å; K498-E519 HydrophobicContact CG-CB 4.45Å; K498-E519 HydrophobicContact CG-CG 3.94Å; K498-E519 IonicContact NZ-OE2 3.07Å
499H98Very high96.6Very high92 Ų9243.5 Ų43.543%0.42623%0.231SC..EExtended strand (participates in β ladder)trans-151.2149.2178.5-170.965.4000110.7I516 E517H499-I516 VanDerWaalsContact O-CA 3.22Å; H499-I516 WeakPolarHBondContact O-CA 3.4Å; H499-I516 WeakPolarHBondContact O-CB 3.41Å; H499-E517 HydrophobicContact CB-CB 3.99Å; H499-E517 HydrophobicContact CB-CG 4.05Å; H499-E517 PolarHBondContact N-O 2.96Å; H499-E517 PolarHBondContact O-N 3.12Å; H499-E517 VanDerWaalsContact O-N 3.14Å
500L97.4Very high96.6Very high28 Ų2844.3 Ų44.315%0.14724%0.235CC..EExtended strand (participates in β ladder)trans-145.4123.9175.8176.5136.9000109.9P424 L436 W514 K515 I516P424-L500 HydrophobicContact CB-CD1 4.1Å; P424-L500 HydrophobicContact CG-CD1 4.21Å; L436-L500 HydrophobicContact CD2-CD1 3.76Å; L500-W514 HydrophobicContact CD1-CE3 4.42Å; L500-W514 HydrophobicContact CD2-CD2 4.35Å; L500-W514 HydrophobicContact CD2-CE3 3.42Å; L500-W514 VanDerWaalsContact CD2-CE3 3.42Å; L500-W514 HydrophobicContact CD2-CZ3 3.52Å; L500-W514 HydrophobicContact CG-CE3 3.88Å; L500-W514 HydrophobicContact CG-CZ3 4.47Å; L500-K515 WeakPolarHBondContact CA-O 3.42Å; L500-I516 HydrophobicContact CB-CG2 4.09Å; L500-I516 HydrophobicContact CD1-CG2 3.82Å; L500-I516 HydrophobicContact CG-CG2 4.1Å
501E97.3Very high96.5Very high78 Ų7844.7 Ų44.736%0.36424%0.237SC..EExtended strand (participates in β ladder)trans-134.3143.7176.164.3176.8163.700111.7V503 W514 K515E501-V503 HydrophobicContact CG-CG1 4.17Å; E501-W514 CarbonylContact O-C 3.47Å; E501-W514 WeakPolarHBondContact O-CA 3.39Å; E501-W514 WeakPolarHBondContact O-CB 3.37Å; E501-K515 HydrophobicContact CG-CB 3.9Å; E501-K515 PolarHBondContact N-O 3.29Å; E501-K515 PolarHBondContact O-N 2.78Å; E501-K515 WeakPolarHBondContact OE1-CD 3.29Å; E501-K515 IonicContact OE1-NZ 3.61Å
502C97.8Very high96.6Very high52 Ų5244.5 Ų44.535%0.35124%0.236SC..EExtended strand (participates in β ladder)trans-83.1120.6174.9-177.70000109.3W514C502-W514 HydrophobicContact CB-CD2 4.31Å; C502-W514 HydrophobicContact CB-CE3 3.72Å; C502-W514 HydrophobicContact CB-CH2 4.07Å; C502-W514 HydrophobicContact CB-CZ3 3.59Å
503V97.3Very high96.7Very high57 Ų5744.4 Ų44.435%0.34524%0.236SC..EExtended strand (participates in β ladder)trans-103.4-27.8-175.9-65.50000113.8E501 I513 K515E501-V503 HydrophobicContact CG-CG1 4.17Å; V503-I513 HydrophobicContact CG2-CB 3.95Å; V503-I513 HydrophobicContact CG2-CG2 3.41Å; V503-I513 VanDerWaalsContact CG2-CG2 3.41Å; V503-I513 WeakPolarHBondContact CG2-O 3.28Å; V503-I513 PolarHBondContact N-O 3.41Å; V503-K515 HydrophobicContact CG1-CB 3.59Å
504A97Very high96.8Very high19 Ų1946.5 Ų46.516%0.15724%0.243CC..EExtended strand (participates in β ladder)trans-155154.4175.900000112.5I513A504-I513 HydrophobicContact CB-CB 4.15Å; A504-I513 HydrophobicContact CB-CD1 4.35Å; A504-I513 PolarHBondContact N-O 2.83Å; A504-I513 PolarHBondContact O-N 2.9Å
505Y96.3Very high97Very high51 Ų5145.8 Ų45.820%0.224%0.239CC..  trans57.350.2176.7-44.7-65.7000114.7K399 E507 L508 A512 I513K399-Y505 HydrophobicContact CB-CD2 4.47Å; K399-Y505 HydrophobicContact CB-CE1 4.38Å; K399-Y505 HydrophobicContact CB-CE2 3.9Å; K399-Y505 HydrophobicContact CD-CD1 4.48Å; K399-Y505 HydrophobicContact CD-CE1 4.18Å; K399-Y505 HydrophobicContact CG-CE1 4.36Å; K399-Y505 HydrophobicContact CG-CE2 4.4Å; Y505-E507 VanDerWaalsContact CA-OE2 3.25Å; Y505-E507 WeakPolarHBondContact CA-OE2 3.41Å; Y505-E507 PolarHBondContact O-N 3.08Å; Y505-E507 VanDerWaalsContact O-N 3.1Å; Y505-L508 HydrophobicContact CG-CD1 4.19Å; Y505-L508 WeakPolarHBondContact O-CB 3.17Å; Y505-L508 PolarHBondContact O-N 2.88Å; Y505-A512 VanDerWaalsContact O-CB 3.23Å; Y505-A512 WeakPolarHBondContact O-CB 3.45Å; Y505-I513 HydrophobicContact CD2-CD1 3.86Å; Y505-I513 HydrophobicContact CD2-CG1 3.99Å; Y505-I513 HydrophobicContact CE2-CD1 3.67Å; Y505-I513 HydrophobicContact CE2-CG1 4.32Å
506P96.3Very high97.2Very high93 Ų9342.1 Ų42.160%0.60422%0.222SC*.G310 helixtrans-58.2-25-178.527.1-36.4000113.5L508 G509P506-L508 PolarHBondContact O-N 3.02Å; P506-G509 PolarHBondContact O-N 2.82Å; P506-G509 VanDerWaalsContact O-N 3.17Å
507E94.3Very high97.3Very high127 Ų12744.4 Ų44.459%0.59323%0.232SC*.G310 helixtrans-61.7-18.7175.371.2-77.1-179.600113.8Y505 G509Y505-E507 VanDerWaalsContact CA-OE2 3.25Å; Y505-E507 WeakPolarHBondContact CA-OE2 3.41Å; Y505-E507 PolarHBondContact O-N 3.08Å; Y505-E507 VanDerWaalsContact O-N 3.1Å; E507-G509 VanDerWaalsContact C-N 3.27Å; E507-G509 PolarHBondContact O-N 2.81Å
508L95.5Very high97.3Very high28 Ų2844.5 Ų44.515%0.14723%0.233CC..G310 helixtrans-83.1-0.9178.6-57.3-177000113.3I395 Y505 P506 M510 E511I395-L508 HydrophobicContact CB-CD1 4.17Å; I395-L508 HydrophobicContact CG2-CD1 3.64Å; I395-L508 HydrophobicContact CG2-CD2 3.83Å; I395-L508 HydrophobicContact CG2-CG 4.36Å; Y505-L508 HydrophobicContact CG-CD1 4.19Å; Y505-L508 WeakPolarHBondContact O-CB 3.17Å; Y505-L508 PolarHBondContact O-N 2.88Å; P506-L508 PolarHBondContact O-N 3.02Å; L508-M510 PolarHBondContact O-N 2.99Å; L508-E511 HydrophobicContact CB-CB 4.09Å; L508-E511 PolarHBondContact O-N 2.73Å; L508-E511 VanDerWaalsContact O-N 3.13Å
509G96Very high97.3Very high33 Ų3344.8 Ų44.834%0.3424%0.236SC..G310 helixtrans57.7-122.9-178.600000111.4P506 E507 E511 A512 W514P506-G509 PolarHBondContact O-N 2.82Å; P506-G509 VanDerWaalsContact O-N 3.17Å; E507-G509 VanDerWaalsContact C-N 3.27Å; E507-G509 PolarHBondContact O-N 2.81Å; G509-E511 PolarHBondContact O-N 2.94Å; G509-A512 VanDerWaalsContact O-CB 3.23Å; G509-A512 WeakPolarHBondContact O-CB 3.25Å; G509-A512 PolarHBondContact O-N 3.22Å; G509-A512 VanDerWaalsContact O-N 3.14Å; G509-W514 WeakPolarHBondContact O-CZ2 3.5Å
510M96.7Very high97.2Very high17 Ų1744.1 Ų44.18%0.08424%0.235CC..G310 helixtrans-66.5-15.4-178.672.491.8179.200114.7R145 G423 L508R145-M510 HydrophobicContact CG-CB 3.93Å; R145-M510 HydrophobicContact CG-CG 3.94Å; G423-M510 WeakPolarHBondContact CA-O 3.29Å; L508-M510 PolarHBondContact O-N 2.99Å
511E97.6Very high97.2Very high8 Ų842.8 Ų42.84%0.03723%0.228CC..G310 helixtrans-91.10.4177.1-67.6-88156.800112.9R393 D394 I395 L508 G509R393-E511 WeakPolarHBondContact CD-OE1 3.26Å; R393-E511 VanDerWaalsContact CG-OE2 3.3Å; R393-E511 WeakPolarHBondContact CG-OE2 3.48Å; R393-E511 IonicContact CZ-OE1 2.86Å; R393-E511 IonicContact NE-OE1 2.78Å; R393-E511 PolarHBondContact NE-OE1 2.79Å; R393-E511 IonicContact NE-OE2 2.61Å; R393-E511 IonicContact NH1-OE1 3.41Å; R393-E511 IonicContact NH2-OE1 3.59Å; R393-E511 PolarHBondContact NH2-OE1 2.85Å; D394-E511 PolarHBondContact N-OE2 2.86Å; I395-E511 HydrophobicContact CB-CB 4.26Å; I395-E511 HydrophobicContact CD1-CB 4.18Å; I395-E511 HydrophobicContact CD1-CG 4.02Å; I395-E511 HydrophobicContact CG1-CB 4.38Å; I395-E511 HydrophobicContact CG1-CG 4.29Å; I395-E511 PolarHBondContact N-OE2 2.81Å; I395-E511 VanDerWaalsContact N-OE2 3.12Å; L508-E511 HydrophobicContact CB-CB 4.09Å; L508-E511 PolarHBondContact O-N 2.73Å; L508-E511 VanDerWaalsContact O-N 3.13Å; G509-E511 PolarHBondContact O-N 2.94Å
512A97.8Very high97Very high1 Ų139.4 Ų39.41%0.00821%0.213CC..SBendtrans-58.6166.3174.400000112.1Y505 G509 W514Y505-A512 VanDerWaalsContact O-CB 3.23Å; Y505-A512 WeakPolarHBondContact O-CB 3.45Å; G509-A512 VanDerWaalsContact O-CB 3.23Å; G509-A512 WeakPolarHBondContact O-CB 3.25Å; G509-A512 PolarHBondContact O-N 3.22Å; G509-A512 VanDerWaalsContact O-N 3.14Å; A512-W514 HydrophobicContact CB-CZ2 4.22Å; A512-W514 PolarHBondContact O-NE1 2.76Å
513I98.3Very high96.9Very high2 Ų237 Ų371%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-85.7125.5169.3-59.3178.6000108I390 V391 A396 L400 Y413 V503 A504 Y505I390-I513 HydrophobicContact CG2-CG2 3.52Å; V391-I513 CarbonylContact O-C 3.3Å; V391-I513 VanDerWaalsContact O-CA 3.27Å; V391-I513 WeakPolarHBondContact O-CA 3.47Å; A396-I513 HydrophobicContact CB-CD1 4.32Å; A396-I513 HydrophobicContact CB-CG1 3.71Å; L400-I513 HydrophobicContact CD2-CD1 4.37Å; Y413-I513 HydrophobicContact CE2-CD1 4.17Å; Y413-I513 HydrophobicContact CE2-CG2 3.88Å; V503-I513 HydrophobicContact CG2-CB 3.95Å; V503-I513 HydrophobicContact CG2-CG2 3.41Å; V503-I513 VanDerWaalsContact CG2-CG2 3.41Å; V503-I513 WeakPolarHBondContact CG2-O 3.28Å; V503-I513 PolarHBondContact N-O 3.41Å; A504-I513 HydrophobicContact CB-CB 4.15Å; A504-I513 HydrophobicContact CB-CD1 4.35Å; A504-I513 PolarHBondContact N-O 2.83Å; A504-I513 PolarHBondContact O-N 2.9Å; Y505-I513 HydrophobicContact CD2-CD1 3.86Å; Y505-I513 HydrophobicContact CD2-CG1 3.99Å; Y505-I513 HydrophobicContact CE2-CD1 3.67Å; Y505-I513 HydrophobicContact CE2-CG1 4.32Å
514W98.5Very high96.8Very high44 Ų4434.5 Ų34.517%0.16718%0.181CC..EExtended strand (participates in β ladder)trans-114.1159.2177.3-4876000110.6I390 V391 P424 L500 E501 C502 G509 A512I390-W514 CarbonylContact C-O 3.44Å; I390-W514 WeakPolarHBondContact CA-O 3.49Å; V391-W514 HydrophobicContact CB-CB 3.95Å; V391-W514 HydrophobicContact CG2-CB 4.25Å; V391-W514 PolarHBondContact N-O 3.36Å; V391-W514 PolarHBondContact O-N 2.96Å; P424-W514 HydrophobicContact CG-CD2 4.22Å; P424-W514 HydrophobicContact CG-CZ2 4.04Å; L500-W514 HydrophobicContact CD1-CE3 4.42Å; L500-W514 HydrophobicContact CD2-CD2 4.35Å; L500-W514 HydrophobicContact CD2-CE3 3.42Å; L500-W514 VanDerWaalsContact CD2-CE3 3.42Å; L500-W514 HydrophobicContact CD2-CZ3 3.52Å; L500-W514 HydrophobicContact CG-CE3 3.88Å; L500-W514 HydrophobicContact CG-CZ3 4.47Å; E501-W514 CarbonylContact O-C 3.47Å; E501-W514 WeakPolarHBondContact O-CA 3.39Å; E501-W514 WeakPolarHBondContact O-CB 3.37Å; C502-W514 HydrophobicContact CB-CD2 4.31Å; C502-W514 HydrophobicContact CB-CE3 3.72Å; C502-W514 HydrophobicContact CB-CH2 4.07Å; C502-W514 HydrophobicContact CB-CZ3 3.59Å; G509-W514 WeakPolarHBondContact O-CZ2 3.5Å; A512-W514 HydrophobicContact CB-CZ2 4.22Å; A512-W514 PolarHBondContact O-NE1 2.76Å
515K98.5Very high96.8Very high59 Ų5933.6 Ų33.626%0.25717%0.174SC..EExtended strand (participates in β ladder)trans-117.1131.6165.1178.2177.3161.6-163.90108.1T388 I390 L500 E501 V503 E517T388-K515 HydrophobicContact CG2-CD 3.95Å; T388-K515 VanDerWaalsContact CG2-CE 3.4Å; T388-K515 HydrophobicContact CG2-CG 3.79Å; I390-K515 HydrophobicContact CD1-CB 3.89Å; I390-K515 HydrophobicContact CD1-CD 4.47Å; I390-K515 HydrophobicContact CD1-CG 4.08Å; L500-K515 WeakPolarHBondContact CA-O 3.42Å; E501-K515 HydrophobicContact CG-CB 3.9Å; E501-K515 PolarHBondContact N-O 3.29Å; E501-K515 PolarHBondContact O-N 2.78Å; E501-K515 WeakPolarHBondContact OE1-CD 3.29Å; E501-K515 IonicContact OE1-NZ 3.61Å; V503-K515 HydrophobicContact CG1-CB 3.59Å; K515-E517 WeakPolarHBondContact CE-OE1 3.47Å
516I98.5Very high96.9Very high0 Ų031.2 Ų31.20%016%0.164CC..EExtended strand (participates in β ladder)trans-124.1146.417863.8174.9000110.4T388 I389 V391 Y420 L436 H499 L500 V518T388-I516 WeakPolarHBondContact CA-O 3.42Å; I389-I516 HydrophobicContact CB-CD1 4.2Å; I389-I516 HydrophobicContact CB-CG1 3.78Å; I389-I516 HydrophobicContact CG2-CD1 4.39Å; I389-I516 HydrophobicContact CG2-CG1 4.34Å; I389-I516 PolarHBondContact N-O 3.41Å; I389-I516 PolarHBondContact O-N 2.95Å; V391-I516 HydrophobicContact CG2-CB 4.43Å; V391-I516 HydrophobicContact CG2-CD1 3.78Å; V391-I516 HydrophobicContact CG2-CG1 3.87Å; V391-I516 HydrophobicContact CG2-CG2 3.77Å; Y420-I516 HydrophobicContact CD1-CD1 4.03Å; L436-I516 HydrophobicContact CD2-CD1 4.42Å; L436-I516 HydrophobicContact CD2-CG2 4.17Å; H499-I516 VanDerWaalsContact O-CA 3.22Å; H499-I516 WeakPolarHBondContact O-CA 3.4Å; H499-I516 WeakPolarHBondContact O-CB 3.41Å; L500-I516 HydrophobicContact CB-CG2 4.09Å; L500-I516 HydrophobicContact CD1-CG2 3.82Å; L500-I516 HydrophobicContact CG-CG2 4.1Å; I516-V518 HydrophobicContact CD1-CG1 3.68Å; I516-V518 HydrophobicContact CG1-CG1 4Å
517E98.7Very high97Very high52 Ų5226.8 Ų26.824%0.24314%0.136CC..EExtended strand (participates in β ladder)trans-103.4127.2166-61.4-58.9139.400108T388 K498 H499 K515T388-E517 PolarHBondContact N-OE2 2.64Å; T388-E517 VanDerWaalsContact OG1-CD 3.32Å; T388-E517 PolarHBondContact OG1-OE1 3.29Å; T388-E517 PolarHBondContact OG1-OE2 2.84Å; K498-E517 PolarHBondContact N-O 3.38Å; H499-E517 HydrophobicContact CB-CB 3.99Å; H499-E517 HydrophobicContact CB-CG 4.05Å; H499-E517 PolarHBondContact N-O 2.96Å; H499-E517 PolarHBondContact O-N 3.12Å; H499-E517 VanDerWaalsContact O-N 3.14Å; K515-E517 WeakPolarHBondContact CE-OE1 3.47Å
518V98.5Very high97.2Very high3 Ų320.9 Ų20.92%0.01811%0.108CC..EExtended strand (participates in β ladder)trans-121.9150.4-179.6-56.60000112T386 G387 I389 S496 I497 I516 F521T386-V518 CarbonylContact C-O 3.57Å; T386-V518 WeakPolarHBondContact CA-O 3.47Å; G387-V518 PolarHBondContact N-O 2.93Å; G387-V518 WeakPolarHBondContact O-CG2 3.19Å; G387-V518 PolarHBondContact O-N 3.29Å; I389-V518 HydrophobicContact CD1-CG1 4.24Å; I389-V518 HydrophobicContact CD1-CG2 3.58Å; I389-V518 HydrophobicContact CG1-CG2 4.2Å; S496-V518 CarbonylContact O-C 3.56Å; S496-V518 VanDerWaalsContact O-CA 3.24Å; S496-V518 WeakPolarHBondContact O-CA 3.46Å; I497-V518 HydrophobicContact CG1-CG1 4.15Å; I516-V518 HydrophobicContact CD1-CG1 3.68Å; I516-V518 HydrophobicContact CG1-CG1 4Å; V518-F521 HydrophobicContact CB-CB 4.03Å; V518-F521 HydrophobicContact CB-CD2 4.24Å; V518-F521 HydrophobicContact CG1-CD2 3.96Å; V518-F521 HydrophobicContact CG2-CB 3.83Å; V518-F521 HydrophobicContact CG2-CG 4.47Å
519E97.8Very high97.4Very high96 Ų9621.1 Ų21.145%0.44911%0.11SC..EExtended strand (participates in β ladder)trans-127.7139.6167.1-64177179.300109T386 S496 K498 F521T386-E519 HydrophobicContact CG2-CG 4.22Å; S496-E519 VanDerWaalsContact CA-O 3.22Å; S496-E519 WeakPolarHBondContact CA-O 3.22Å; S496-E519 WeakPolarHBondContact CB-O 3.38Å; S496-E519 PolarHBondContact O-N 3.5Å; K498-E519 VanDerWaalsContact CE-CD 3.5Å; K498-E519 WeakPolarHBondContact CE-OE2 3.29Å; K498-E519 HydrophobicContact CG-CB 4.45Å; K498-E519 HydrophobicContact CG-CG 3.94Å; K498-E519 IonicContact NZ-OE2 3.07Å; E519-F521 PolarHBondContact O-N 2.7Å
520D95.4Very high97.5Very high79 Ų7924 Ų2442%0.42211%0.113SC..EExtended strand (participates in β ladder)trans48.943.8177.7-62.6-50.1000113S384 L385 T386 S496 P522S384-D520 WeakPolarHBondContact OG-CA 3.42Å; S384-D520 PolarHBondContact OG-OD1 3.23Å; S384-D520 VanDerWaalsContact OG-OD1 3.06Å; L385-D520 PolarHBondContact O-N 2.95Å; T386-D520 PolarHBondContact OG1-N 3.12Å; S496-D520 PolarHBondContact OG-O 3.47Å; D520-P522 WeakPolarHBondContact O-CD 3.3Å
521F96.6Very high97.5Very high0 Ų024.6 Ų24.60%012%0.123CC..EExtended strand (participates in β ladder)trans-79.1119.9179.5-170.4-72.4000110.1L385 Y420 L461 S484 L492 V518 E519L385-F521 HydrophobicContact CB-CB 4.2Å; L385-F521 HydrophobicContact CD1-CD1 4.37Å; L385-F521 PolarHBondContact N-O 3.49Å; L385-F521 PolarHBondContact O-N 3.26Å; Y420-F521 HydrophobicContact CE1-CE2 4.49Å; Y420-F521 HydrophobicContact CE1-CZ 4.38Å; Y420-F521 HydrophobicContact CE2-CZ 4.12Å; Y420-F521 AromaticContact CZ-CZ 3.87Å; L461-F521 HydrophobicContact CD1-CE1 4.23Å; L461-F521 HydrophobicContact CD2-CD1 4.04Å; L461-F521 HydrophobicContact CD2-CE1 3.62Å; L461-F521 HydrophobicContact CD2-CZ 4.08Å; L461-F521 HydrophobicContact CG-CE1 4.28Å; S484-F521 WeakPolarHBondContact OG-CE1 3.35Å; L492-F521 HydrophobicContact CD1-CE2 4.32Å; L492-F521 HydrophobicContact CD1-CZ 4.13Å; L492-F521 HydrophobicContact CD2-CD2 4.22Å; L492-F521 HydrophobicContact CD2-CE2 3.92Å; L492-F521 HydrophobicContact CD2-CZ 4.1Å; V518-F521 HydrophobicContact CB-CB 4.03Å; V518-F521 HydrophobicContact CB-CD2 4.24Å; V518-F521 HydrophobicContact CG1-CD2 3.96Å; V518-F521 HydrophobicContact CG2-CB 3.83Å; V518-F521 HydrophobicContact CG2-CG 4.47Å; E519-F521 PolarHBondContact O-N 2.7Å
522P94.2Very high97.5Very high7 Ų727.2 Ų27.25%0.04514%0.137CC..EExtended strand (participates in β ladder)trans-77.6131.2-174.730-35.1000112.2L492 D520L492-P522 HydrophobicContact CD2-CG 3.94Å; D520-P522 WeakPolarHBondContact O-CD 3.3Å
523A96Very high97.5Very high0 Ų027.9 Ų27.90%014%0.14CC..EExtended strand (participates in β ladder)trans-147.5167.1174.200000112.7L383 L385 L461 L482 G483L383-A523 HydrophobicContact CB-CB 4.44Å; L383-A523 PolarHBondContact N-O 3.11Å; L383-A523 PolarHBondContact O-N 2.87Å; L385-A523 HydrophobicContact CD1-CB 3.87Å; L385-A523 HydrophobicContact CG-CB 4.26Å; L461-A523 HydrophobicContact CD1-CB 3.77Å; L482-A523 HydrophobicContact CB-CB 4.2Å; G483-A523 CarbonylContact O-C 3.49Å; G483-A523 VanDerWaalsContact O-CA 3.27Å; G483-A523 WeakPolarHBondContact O-CA 3.42Å
524F95.2Very high97.3Very high5 Ų528.8 Ų28.82%0.02214%0.144CC..EExtended strand (participates in β ladder)trans-129140.6174.9-63.1-94.3000110.1Y85 F289 T381 R382 L482 G483 I485 L526Y85-F524 HydrophobicContact CD1-CZ 4.23Å; Y85-F524 HydrophobicContact CE1-CZ 4.28Å; F289-F524 HydrophobicContact CD1-CB 4.12Å; F289-F524 AromaticContact CD1-CD2 3.74Å; F289-F524 HydrophobicContact CD1-CD2 3.74Å; F289-F524 HydrophobicContact CD1-CE2 4.28Å; F289-F524 AromaticContact CD1-CG 3.9Å; F289-F524 HydrophobicContact CD1-CG 3.9Å; F289-F524 HydrophobicContact CD2-CD2 4.13Å; F289-F524 AromaticContact CD2-CE2 3.89Å; F289-F524 HydrophobicContact CD2-CE2 3.89Å; F289-F524 HydrophobicContact CD2-CZ 4.48Å; F289-F524 HydrophobicContact CE1-CB 3.99Å; F289-F524 AromaticContact CE1-CD2 3.5Å; F289-F524 HydrophobicContact CE1-CD2 3.5Å; F289-F524 HydrophobicContact CE1-CE2 4.25Å; F289-F524 AromaticContact CE1-CG 3.95Å; F289-F524 HydrophobicContact CE1-CG 3.95Å; F289-F524 AromaticContact CE2-CD2 3.94Å; F289-F524 HydrophobicContact CE2-CD2 3.94Å; F289-F524 AromaticContact CE2-CE2 3.88Å; F289-F524 HydrophobicContact CE2-CE2 3.88Å; F289-F524 HydrophobicContact CG-CD2 4.04Å; F289-F524 HydrophobicContact CG-CE2 4.11Å; F289-F524 HydrophobicContact CG-CG 4.4Å; F289-F524 AromaticContact CZ-CD2 3.62Å; F289-F524 HydrophobicContact CZ-CD2 3.62Å; F289-F524 HydrophobicContact CZ-CE2 4.06Å; T381-F524 CarbonylContact O-C 3.5Å; T381-F524 VanDerWaalsContact O-CA 3.31Å; T381-F524 WeakPolarHBondContact O-CA 3.39Å; R382-F524 HydrophobicContact CB-CD1 3.99Å; R382-F524 HydrophobicContact CB-CE1 3.81Å; R382-F524 HydrophobicContact CG-CD1 4.23Å; R382-F524 HydrophobicContact CG-CE1 3.82Å; R382-F524 HydrophobicContact CG-CZ 4.11Å; L482-F524 CarbonylContact C-O 3.56Å; L482-F524 VanDerWaalsContact CA-O 3.23Å; L482-F524 WeakPolarHBondContact CA-O 3.38Å; G483-F524 PolarHBondContact N-O 2.99Å; G483-F524 PolarHBondContact O-N 2.81Å; I485-F524 HydrophobicContact CG1-CE2 4.42Å; F524-L526 HydrophobicContact CB-CD2 4.39Å; F524-L526 PolarHBondContact O-N 2.87Å
525I97.4Very high97.1Very high0 Ų027.2 Ų27.20%014%0.139CC..EExtended strand (participates in β ladder)trans-70.2113.2169.5-57.1-179.8000108.3L374 V379 S380 T381 L383 F480 L482 D528L374-I525 HydrophobicContact CD2-CD1 4.37Å; V379-I525 CarbonylContact C-O 3.49Å; V379-I525 VanDerWaalsContact CA-O 3.31Å; V379-I525 WeakPolarHBondContact CA-O 3.41Å; V379-I525 HydrophobicContact CG1-CG2 4.27Å; S380-I525 PolarHBondContact N-O 3.11Å; T381-I525 PolarHBondContact O-N 2.71Å; L383-I525 HydrophobicContact CD1-CD1 4.46Å; L383-I525 HydrophobicContact CD1-CG1 3.82Å; L383-I525 HydrophobicContact CD2-CD1 4.32Å; L383-I525 HydrophobicContact CD2-CG1 4.28Å; L383-I525 HydrophobicContact CG-CG1 4.19Å; F480-I525 HydrophobicContact CD1-CG2 4.25Å; L482-I525 HydrophobicContact CD2-CB 4.46Å; L482-I525 HydrophobicContact CD2-CG1 3.93Å; I525-D528 HydrophobicContact CG2-CB 4.33Å
526L97.8Very high96.9Very high1 Ų128 Ų281%0.00514%0.144CC..EExtended strand (participates in β ladder)trans-103-36.5179.4-67.6-176.1000112.6F289 Y481 F524 D533 F534 F535F289-L526 HydrophobicContact CD1-CD2 3.98Å; F289-L526 HydrophobicContact CE1-CD1 4.2Å; F289-L526 HydrophobicContact CE1-CD2 3.99Å; F289-L526 HydrophobicContact CE1-CG 4.44Å; Y481-L526 HydrophobicContact CD1-CB 3.68Å; Y481-L526 HydrophobicContact CD1-CD1 4.12Å; Y481-L526 HydrophobicContact CE1-CB 3.85Å; Y481-L526 HydrophobicContact CE1-CD1 3.4Å; Y481-L526 HydrophobicContact CE1-CG 4.25Å; Y481-L526 HydrophobicContact CG-CB 4.46Å; Y481-L526 PolarHBondContact O-N 2.91Å; F524-L526 HydrophobicContact CB-CD2 4.39Å; F524-L526 PolarHBondContact O-N 2.87Å; L526-D533 WeakPolarHBondContact O-CA 3.41Å; L526-F534 HydrophobicContact CD2-CB 3.85Å; L526-F534 HydrophobicContact CD2-CD1 3.76Å; L526-F534 HydrophobicContact CD2-CG 3.9Å; L526-F534 PolarHBondContact O-N 2.95Å; L526-F535 HydrophobicContact CD1-CE2 3.89Å; L526-F535 HydrophobicContact CD1-CZ 4.41Å; L526-F535 HydrophobicContact CD2-CE2 4.17Å; L526-F535 HydrophobicContact CD2-CZ 4.43Å
527V98.6Very high96.6Very high1 Ų131.3 Ų31.31%0.00616%0.159CC..EExtended strand (participates in β ladder)trans-129.3132.8169.7179.40000108.4T471 C474 F480 Y481 N532 D533T471-V527 HydrophobicContact CG2-CG1 4.27Å; C474-V527 HydrophobicContact CB-CG1 3.72Å; F480-V527 WeakPolarHBondContact CA-O 3.47Å; Y481-V527 HydrophobicContact CD1-CG2 4.14Å; Y481-V527 PolarHBondContact N-O 3.08Å; Y481-V527 PolarHBondContact O-N 3.03Å; Y481-V527 VanDerWaalsContact O-N 3.16Å; V527-N532 WeakPolarHBondContact CA-O 3.25Å; V527-D533 HydrophobicContact CG2-CB 4.37Å
528D98.5Very high96.1Very high2 Ų229.8 Ų29.81%0.01115%0.152CC..  trans-103.9177.5176.673.49.3000113V379 G479 F480 I525 K530 G531 N532V379-D528 HydrophobicContact CG1-CB 4.14Å; G479-D528 CarbonylContact O-C 3.56Å; F480-D528 HydrophobicContact CD1-CB 4.27Å; F480-D528 HydrophobicContact CE1-CB 3.97Å; I525-D528 HydrophobicContact CG2-CB 4.33Å; D528-K530 PolarHBondContact O-N 3.2Å; D528-K530 WeakPolarHBondContact OD1-CA 3.34Å; D528-K530 WeakPolarHBondContact OD1-CB 3.48Å; D528-K530 PolarHBondContact OD1-N 3.34Å; D528-G531 PolarHBondContact OD1-N 3.31Å; D528-N532 PolarHBondContact N-O 3.17Å; D528-N532 WeakPolarHBondContact OD1-CB 3.39Å; D528-N532 PolarHBondContact OD1-N 2.83Å; D528-N532 PolarHBondContact OD1-ND2 3.34Å; D528-N532 WeakPolarHBondContact OD2-CB 3.28Å; D528-N532 PolarHBondContact OD2-ND2 3.08Å
529D98.3Very high95.5Very high33 Ų3331.6 Ų31.618%0.17616%0.163CC..THydrogen-bonded Turntrans-76.37.9177.761.9-29.3000114.1S375 G479 F480S375-D529 VanDerWaalsContact CB-OD2 3.26Å; S375-D529 WeakPolarHBondContact CB-OD2 3.27Å; S375-D529 PolarHBondContact OG-OD1 3.02Å; S375-D529 PolarHBondContact OG-OD2 3.28Å; G479-D529 PolarHBondContact O-N 3.27Å; F480-D529 HydrophobicContact CE1-CB 4.35Å; F480-D529 HydrophobicContact CE2-CB 3.79Å; F480-D529 HydrophobicContact CZ-CB 3.66Å; F480-D529 VanDerWaalsContact CZ-OD1 3.28Å; F480-D529 WeakPolarHBondContact CZ-OD1 3.49Å
530K98.2Very high94.9Very high95 Ų9531.1 Ų31.141%0.41316%0.164SC..THydrogen-bonded Turntrans-120.76.9-173.2-56.6171.7-17070.80112.4S375 D528S375-K530 PolarHBondContact O-NZ 3.29Å; S375-K530 PolarHBondContact OG-NZ 3.13Å; D528-K530 PolarHBondContact O-N 3.2Å; D528-K530 WeakPolarHBondContact OD1-CA 3.34Å; D528-K530 WeakPolarHBondContact OD1-CB 3.48Å; D528-K530 PolarHBondContact OD1-N 3.34Å
531G96.7Very high94.2Very high28 Ų2834.1 Ų34.129%0.28917%0.173SC..SBendtrans81.617.6-179.300000114.1T471 D528T471-G531 WeakPolarHBondContact CG2-O 3.49Å; D528-G531 PolarHBondContact OD1-N 3.31Å
532N97.8Very high93.1Very high63 Ų6335.7 Ų35.734%0.33718%0.18SC..  trans-88.3138.7173.2-57.8-66.2000110.8V379 V527 D528V379-N532 HydrophobicContact CG1-CB 3.84Å; V379-N532 HydrophobicContact CG2-CB 4.29Å; V527-N532 WeakPolarHBondContact CA-O 3.25Å; D528-N532 PolarHBondContact N-O 3.17Å; D528-N532 WeakPolarHBondContact OD1-CB 3.39Å; D528-N532 PolarHBondContact OD1-N 2.83Å; D528-N532 PolarHBondContact OD1-ND2 3.34Å; D528-N532 WeakPolarHBondContact OD2-CB 3.28Å; D528-N532 PolarHBondContact OD2-ND2 3.08Å
533D97.7Very high91.9Very high15 Ų1538.9 Ų38.98%0.0820%0.202CC..BIsolated β-bridgetrans-126.9124.1172.6176.6-13.3000109.4T471 L526 V527 F535 Q536 Q537T471-D533 HydrophobicContact CG2-CB 4.41Å; L526-D533 WeakPolarHBondContact O-CA 3.41Å; V527-D533 HydrophobicContact CG2-CB 4.37Å; D533-F535 VanDerWaalsContact C-N 3.33Å; D533-F535 PolarHBondContact O-N 3.33Å; D533-F535 PolarHBondContact OD1-N 3.3Å; D533-Q536 HydrophobicContact CB-CB 3.88Å; D533-Q536 PolarHBondContact O-N 2.58Å; D533-Q537 WeakPolarHBondContact O-CG 3.35Å; D533-Q537 PolarHBondContact O-N 2.73Å
534F95.6Very high90.3Very high21 Ų2141.3 Ų41.39%0.09222%0.222CC..Hα-helixtrans-50.8-47.6176.6174.4-103.3000113.3F289 V379 L526 Q537 I538F289-F534 VanDerWaalsContact C-CZ 3.49Å; F289-F534 WeakPolarHBondContact O-CZ 3.13Å; V379-F534 HydrophobicContact CB-CB 4.31Å; L526-F534 HydrophobicContact CD2-CB 3.85Å; L526-F534 HydrophobicContact CD2-CD1 3.76Å; L526-F534 HydrophobicContact CD2-CG 3.9Å; L526-F534 PolarHBondContact O-N 2.95Å; F534-Q537 WeakPolarHBondContact O-CB 3.44Å; F534-Q537 PolarHBondContact O-N 3.26Å; F534-I538 HydrophobicContact CD1-CD1 4.17Å; F534-I538 HydrophobicContact CE1-CD1 3.51Å; F534-I538 HydrophobicContact CE2-CD1 4.44Å; F534-I538 HydrophobicContact CZ-CD1 3.67Å; F534-I538 HydrophobicContact CZ-CG1 4.49Å; F534-I538 PolarHBondContact O-N 2.76Å
535F94.4Very high88.7Confident12 Ų1246.5 Ų46.55%0.05325%0.25CC..Hα-helixtrans-73.3-35.3-176.7-65.5-69.7000111.7T221 L285 Q288 N465 L526 D533 Q537 I538 V539T221-F535 HydrophobicContact CG2-CD1 4.42Å; T221-F535 HydrophobicContact CG2-CE1 3.6Å; T221-F535 HydrophobicContact CG2-CZ 4.08Å; T221-F535 WeakPolarHBondContact OG1-CZ 3.29Å; L285-F535 HydrophobicContact CD2-CD1 3.98Å; Q288-F535 VanDerWaalsContact O-CE1 3.26Å; Q288-F535 WeakPolarHBondContact O-CE1 3.35Å; Q288-F535 WeakPolarHBondContact O-CZ 3.33Å; N465-F535 HydrophobicContact CB-CB 4.18Å; N465-F535 HydrophobicContact CB-CD1 4.33Å; N465-F535 HydrophobicContact CB-CD2 3.35Å; N465-F535 HydrophobicContact CB-CE2 3.69Å; N465-F535 HydrophobicContact CB-CG 3.69Å; N465-F535 HydrophobicContact CB-CZ 4.36Å; L526-F535 HydrophobicContact CD1-CE2 3.89Å; L526-F535 HydrophobicContact CD1-CZ 4.41Å; L526-F535 HydrophobicContact CD2-CE2 4.17Å; L526-F535 HydrophobicContact CD2-CZ 4.43Å; D533-F535 VanDerWaalsContact C-N 3.33Å; D533-F535 PolarHBondContact O-N 3.33Å; D533-F535 PolarHBondContact OD1-N 3.3Å; F535-Q537 VanDerWaalsContact C-N 3.28Å; F535-Q537 PolarHBondContact O-N 3.03Å; F535-I538 HydrophobicContact CD1-CD1 4.35Å; F535-I538 WeakPolarHBondContact O-CB 3.32Å; F535-I538 PolarHBondContact O-N 2.93Å; F535-V539 WeakPolarHBondContact O-CG2 3.37Å; F535-V539 PolarHBondContact O-N 2.93Å; F535-V539 VanDerWaalsContact O-N 3.1Å
536Q92.9Very high86.7Confident76 Ų7651.6 Ų51.636%0.35528%0.284SS..Hα-helixtrans-64.8-35.2174.2-168.758.637.700111.3D533 I538 V539 N540D533-Q536 HydrophobicContact CB-CB 3.88Å; D533-Q536 PolarHBondContact O-N 2.58Å; Q536-I538 VanDerWaalsContact C-N 3.33Å; Q536-I538 PolarHBondContact O-N 2.8Å; Q536-V539 PolarHBondContact O-N 2.8Å; Q536-N540 PolarHBondContact NE2-OD1 2.79Å; Q536-N540 WeakPolarHBondContact O-CB 3.46Å; Q536-N540 PolarHBondContact O-N 3.35Å; Q536-N540 PolarHBondContact O-ND2 2.82Å; Q536-N540 PolarHBondContact O-OD1 2.97Å
537Q92.3Very high84.4Confident68 Ų6857.3 Ų57.332%0.31832%0.32SS..Hα-helixtrans-62.9-37.1173.4-70.6-177.27.800112.6V379 D533 F534 F535 K541V379-Q537 VanDerWaalsContact CG2-NE2 3.35Å; D533-Q537 WeakPolarHBondContact O-CG 3.35Å; D533-Q537 PolarHBondContact O-N 2.73Å; F534-Q537 WeakPolarHBondContact O-CB 3.44Å; F534-Q537 PolarHBondContact O-N 3.26Å; F535-Q537 VanDerWaalsContact C-N 3.28Å; F535-Q537 PolarHBondContact O-N 3.03Å; Q537-K541 WeakPolarHBondContact O-CB 2.97Å; Q537-K541 VanDerWaalsContact O-CG 3.26Å; Q537-K541 WeakPolarHBondContact O-CG 3.32Å; Q537-K541 PolarHBondContact O-N 2.83Å
538I89.5Confident81.4Confident20 Ų2068.2 Ų68.210%0.10337%0.367CS..Hα-helixtrans-63.5-48174.3-66.1169.2000110.4L285 F534 F535 Q536 N540 K541 Q542L285-I538 HydrophobicContact CD2-CG2 4.44Å; F534-I538 HydrophobicContact CD1-CD1 4.17Å; F534-I538 HydrophobicContact CE1-CD1 3.51Å; F534-I538 HydrophobicContact CE2-CD1 4.44Å; F534-I538 HydrophobicContact CZ-CD1 3.67Å; F534-I538 HydrophobicContact CZ-CG1 4.49Å; F534-I538 PolarHBondContact O-N 2.76Å; F535-I538 HydrophobicContact CD1-CD1 4.35Å; F535-I538 WeakPolarHBondContact O-CB 3.32Å; F535-I538 PolarHBondContact O-N 2.93Å; Q536-I538 VanDerWaalsContact C-N 3.33Å; Q536-I538 PolarHBondContact O-N 2.8Å; I538-N540 PolarHBondContact O-N 2.83Å; I538-K541 PolarHBondContact O-N 2.82Å; I538-Q542 PolarHBondContact O-N 3.21Å
539V84.4Confident80.6Confident41 Ų4171.6 Ų71.625%0.24839%0.385CS..Hα-helixtrans-60.8-46.8178.91750000110.8F535 Q536 K541 Q542 C543F535-V539 WeakPolarHBondContact O-CG2 3.37Å; F535-V539 PolarHBondContact O-N 2.93Å; F535-V539 VanDerWaalsContact O-N 3.1Å; Q536-V539 PolarHBondContact O-N 2.8Å; V539-K541 PolarHBondContact O-N 3.1Å; V539-Q542 PolarHBondContact O-N 2.53Å; V539-C543 PolarHBondContact O-N 3.2Å; V539-C543 PolarHBondContact O-SG 2.72Å; V539-C543 VanDerWaalsContact O-SG 3.41Å
540N85.2Confident79.6Confident87 Ų8773.6 Ų73.647%0.46540%0.396SS..Hα-helixtrans-62.4-41.2-179.9-70.1-10000112.2Q536 I538 Q542 C543 A544Q536-N540 PolarHBondContact NE2-OD1 2.79Å; Q536-N540 WeakPolarHBondContact O-CB 3.46Å; Q536-N540 PolarHBondContact O-N 3.35Å; Q536-N540 PolarHBondContact O-ND2 2.82Å; Q536-N540 PolarHBondContact O-OD1 2.97Å; I538-N540 PolarHBondContact O-N 2.83Å; N540-Q542 VanDerWaalsContact C-N 3.29Å; N540-Q542 PolarHBondContact O-N 3.4Å; N540-C543 PolarHBondContact O-N 3.11Å; N540-A544 WeakPolarHBondContact O-CB 3.47Å; N540-A544 PolarHBondContact O-N 2.97Å
541K82Confident78.6Confident141 Ų14172.4 Ų72.461%0.61340%0.395SS*.Hα-helixtrans-61.1-37.6176.1-77.5174-177.91770112Q537 I538 V539 N545Q537-K541 WeakPolarHBondContact O-CB 2.97Å; Q537-K541 VanDerWaalsContact O-CG 3.26Å; Q537-K541 WeakPolarHBondContact O-CG 3.32Å; Q537-K541 PolarHBondContact O-N 2.83Å; I538-K541 PolarHBondContact O-N 2.82Å; V539-K541 PolarHBondContact O-N 3.1Å; K541-N545 PolarHBondContact O-N 2.92Å
542Q73.5Confident77.5Confident33 Ų3375 Ų7515%0.15440%0.401CS..Hα-helixtrans-71.2-44.1176.4-75.9171.84.500112.6R217 K282 L283 I538 V539 N540 A544 N545 C546R217-Q542 VanDerWaalsContact CZ-OE1 3.32Å; K282-Q542 PolarHBondContact O-NE2 3.21Å; L283-Q542 PolarHBondContact O-NE2 2.66Å; L283-Q542 PolarHBondContact O-OE1 2.85Å; I538-Q542 PolarHBondContact O-N 3.21Å; V539-Q542 PolarHBondContact O-N 2.53Å; N540-Q542 VanDerWaalsContact C-N 3.29Å; N540-Q542 PolarHBondContact O-N 3.4Å; Q542-A544 PolarHBondContact O-N 2.74Å; Q542-N545 PolarHBondContact O-N 3.37Å; Q542-C546 PolarHBondContact O-N 3.43Å; Q542-C546 PolarHBondContact O-SG 3.1Å; Q542-C546 VanDerWaalsContact O-SG 3.35Å
543C67.6Low76.3Confident75 Ų7575.8 Ų75.851%0.50741%0.405SS..Hα-helixtrans-57.8-38.8175.2-68.30000111.8V539 N540 N545 C546 T547V539-C543 PolarHBondContact O-N 3.2Å; V539-C543 PolarHBondContact O-SG 2.72Å; V539-C543 VanDerWaalsContact O-SG 3.41Å; N540-C543 PolarHBondContact O-N 3.11Å; C543-N545 VanDerWaalsContact C-N 3.3Å; C543-N545 PolarHBondContact O-N 2.78Å; C543-C546 PolarHBondContact O-N 3.41Å; C543-T547 PolarHBondContact O-N 2.97Å; C543-T547 PolarHBondContact O-OG1 3.18Å
544A62.2Low74.8Confident50 Ų5079.8 Ų79.841%0.41343%0.427SS..Hα-helixtrans-69.1-25.1176.200000113.9N540 Q542 T547N540-A544 WeakPolarHBondContact O-CB 3.47Å; N540-A544 PolarHBondContact O-N 2.97Å; Q542-A544 PolarHBondContact O-N 2.74Å; A544-T547 PolarHBondContact O-OG1 3.28Å
545N62.2Low73.4Confident114 Ų11484 Ų8461%0.6145%0.451SS*.Hα-helixtrans-83.8-24.1174.4-71.7-15.1000112.4K541 Q542 C543 T547K541-N545 PolarHBondContact O-N 2.92Å; Q542-N545 PolarHBondContact O-N 3.37Å; C543-N545 VanDerWaalsContact C-N 3.3Å; C543-N545 PolarHBondContact O-N 2.78Å; N545-T547 VanDerWaalsContact C-N 3.34Å
546C56.2Low71.7Confident107 Ų10789.5 Ų89.572%0.72348%0.481SS*.Hα-helixtrans-78.1-16.2174.9-65.90000113.8Q542 C543Q542-C546 PolarHBondContact O-N 3.43Å; Q542-C546 PolarHBondContact O-SG 3.1Å; Q542-C546 VanDerWaalsContact O-SG 3.35Å; C543-C546 PolarHBondContact O-N 3.41Å
547T49.5Very low70Confident122 Ų12290.7 Ų90.775%0.74849%0.492SS*.THydrogen-bonded Turntrans-94.58.1178.642.60000114C543 A544 N545C543-T547 PolarHBondContact O-N 2.97Å; C543-T547 PolarHBondContact O-OG1 3.18Å; A544-T547 PolarHBondContact O-OG1 3.28Å; N545-T547 VanDerWaalsContact C-N 3.34Å
548K35.3Very low68Low230 Ų23092.7 Ų92.7100%151%0.508SS*.  trans-111.90169.5-65.8-176.4-177.9177.90109.6

Retrieved 548 of 548 residues in 133.6 ms (Link to these results)

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