A0A077ZBV6_TRITR Loading...

Pantoate--beta-alanine ligase

AlphaFold DB , UniProt , Accession A0A077ZBV6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 519 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
1M91.7Very high94Very high38 Ų3876.6 Ų76.619%0.18739%0.387CS..  0-71.70-69.5-166.1171.700113.5K3 Q4 K5 I11 M13 L72 M128 F170 A171 P192M1-K3 PolarHBondContact O-N 2.87Å; M1-Q4 VanDerWaalsContact N-OE1 3.09Å; M1-Q4 WeakPolarHBondContact O-CA 3.35Å; M1-Q4 WeakPolarHBondContact O-CB 3.28Å; M1-Q4 PolarHBondContact O-N 3.21Å; M1-K5 PolarHBondContact O-N 3.03Å; M1-I11 HydrophobicContact CB-CD1 4.05Å; M1-I11 HydrophobicContact CE-CG2 3.77Å; M1-I11 HydrophobicContact CG-CD1 4.02Å; M1-I11 HydrophobicContact CG-CG2 4.14Å; M1-M13 HydrophobicContact CE-CE 3.55Å; M1-L72 HydrophobicContact CE-CD2 4.06Å; M1-L72 HydrophobicContact SD-CD2 3.97Å; M1-M128 HydrophobicContact CE-CE 4.09Å; M1-M128 HydrophobicContact SD-CE 4.02Å; M1-F170 HydrophobicContact SD-CE2 3.86Å; M1-A171 HydrophobicContact SD-CB 4.47Å; M1-P192 HydrophobicContact CB-CG 4.09Å
2Q93.9Very high94.2Very high76 Ų7673.6 Ų73.636%0.35538%0.378SS..Hα-helixtrans-52.3-50.3-177.4-176.460.532.300113.1Q4 K5 E6 T190 P192Q2-Q4 VanDerWaalsContact C-N 3.25Å; Q2-Q4 PolarHBondContact O-N 3.43Å; Q2-K5 WeakPolarHBondContact O-CB 3.41Å; Q2-K5 PolarHBondContact O-N 2.98Å; Q2-K5 VanDerWaalsContact O-N 3.16Å; Q2-E6 WeakPolarHBondContact CG-OE1 3.42Å; Q2-E6 PolarHBondContact NE2-OE1 3.49Å; Q2-E6 PolarHBondContact O-N 3.32Å; Q2-T190 PolarHBondContact NE2-O 3.13Å; Q2-P192 VanDerWaalsContact OE1-CD 3.3Å
3K94.1Very high94.5Very high139 Ų13968.2 Ų68.260%0.60435%0.35SS*.Hα-helixtrans-56.3-37.1174.8-174.8179.7175.7-1770113.3M1 E6 Q7M1-K3 PolarHBondContact O-N 2.87Å; K3-E6 PolarHBondContact O-N 3.24Å; K3-Q7 HydrophobicContact CG-CG 4.46Å; K3-Q7 WeakPolarHBondContact O-CB 3.43Å; K3-Q7 WeakPolarHBondContact O-CG 3.39Å; K3-Q7 PolarHBondContact O-N 3.31Å; K3-Q7 PolarHBondContact O-OE1 3.36Å
4Q92.5Very high94.7Very high33 Ų3364.4 Ų64.415%0.15433%0.331CS..Hα-helixtrans-68.2-43.7178.5-67.5172.4-84.700111M1 Q2 E6 Q7 G8 D9 I11 N31M1-Q4 VanDerWaalsContact N-OE1 3.09Å; M1-Q4 WeakPolarHBondContact O-CA 3.35Å; M1-Q4 WeakPolarHBondContact O-CB 3.28Å; M1-Q4 PolarHBondContact O-N 3.21Å; Q2-Q4 VanDerWaalsContact C-N 3.25Å; Q2-Q4 PolarHBondContact O-N 3.43Å; Q4-E6 VanDerWaalsContact C-N 3.35Å; Q4-E6 PolarHBondContact O-N 3.14Å; Q4-Q7 CarbonylContact O-C 3.52Å; Q4-Q7 PolarHBondContact O-N 2.92Å; Q4-G8 CarbonylContact O-C 3.54Å; Q4-G8 PolarHBondContact O-N 2.92Å; Q4-D9 HydrophobicContact CB-CB 4.03Å; Q4-D9 HydrophobicContact CG-CB 4.31Å; Q4-D9 PolarHBondContact O-N 3.45Å; Q4-I11 HydrophobicContact CB-CD1 4.4Å; Q4-I11 HydrophobicContact CB-CG1 3.88Å; Q4-N31 VanDerWaalsContact NE2-CG 3.3Å; Q4-N31 PolarHBondContact NE2-OD1 2.72Å
5K95.1Very high94.9Very high36 Ų3660.4 Ų60.416%0.15731%0.31CS..Hα-helixtrans-57-48172.9174.6179.6-176.5118.30111.5M1 Q2 Q7 G8 T186 L189 T190 I191 P192 D203M1-K5 PolarHBondContact O-N 3.03Å; Q2-K5 WeakPolarHBondContact O-CB 3.41Å; Q2-K5 PolarHBondContact O-N 2.98Å; Q2-K5 VanDerWaalsContact O-N 3.16Å; K5-Q7 VanDerWaalsContact C-N 3.26Å; K5-Q7 PolarHBondContact O-N 3.29Å; K5-G8 PolarHBondContact O-N 3.07Å; K5-G8 VanDerWaalsContact O-N 3.08Å; K5-T186 PolarHBondContact NZ-O 3.09Å; K5-L189 WeakPolarHBondContact CE-O 3.37Å; K5-L189 PolarHBondContact NZ-O 3.49Å; K5-T190 VanDerWaalsContact CD-O 3.31Å; K5-T190 WeakPolarHBondContact CD-O 3.33Å; K5-T190 VanDerWaalsContact CE-O 3.28Å; K5-T190 WeakPolarHBondContact CE-O 3.38Å; K5-I191 PolarHBondContact NZ-O 3.46Å; K5-P192 HydrophobicContact CB-CG 4.03Å; K5-P192 HydrophobicContact CD-CG 4.22Å; K5-D203 WeakPolarHBondContact CD-OD2 3.4Å; K5-D203 WeakPolarHBondContact CE-OD2 3.38Å; K5-D203 IonicContact NZ-OD1 3.72Å; K5-D203 IonicContact NZ-OD2 3.21Å; K5-D203 PolarHBondContact NZ-OD2 3.15Å
6E94Very high95.1Very high137 Ų13756.6 Ų56.664%0.6429%0.291SS*.Hα-helixtrans-61.9-33.8179.4-71.4166.7-174.700112.8Q2 K3 Q4Q2-E6 WeakPolarHBondContact CG-OE1 3.42Å; Q2-E6 PolarHBondContact NE2-OE1 3.49Å; Q2-E6 PolarHBondContact O-N 3.32Å; K3-E6 PolarHBondContact O-N 3.24Å; Q4-E6 VanDerWaalsContact C-N 3.35Å; Q4-E6 PolarHBondContact O-N 3.14Å
7Q94.3Very high95.2Very high114 Ų11453.5 Ų53.553%0.53328%0.275SS..Hα-helixtrans-83.7-11.5177-69177.2-40.300113.3K3 Q4 K5 D9K3-Q7 HydrophobicContact CG-CG 4.46Å; K3-Q7 WeakPolarHBondContact O-CB 3.43Å; K3-Q7 WeakPolarHBondContact O-CG 3.39Å; K3-Q7 PolarHBondContact O-N 3.31Å; K3-Q7 PolarHBondContact O-OE1 3.36Å; Q4-Q7 CarbonylContact O-C 3.52Å; Q4-Q7 PolarHBondContact O-N 2.92Å; K5-Q7 VanDerWaalsContact C-N 3.26Å; K5-Q7 PolarHBondContact O-N 3.29Å; Q7-D9 VanDerWaalsContact C-N 3.26Å
8G91.5Very high95.4Very high61 Ų6152.9 Ų52.963%0.62927%0.272SS*.THydrogen-bonded Turntrans75.711.5-172.500000114.2Q4 K5Q4-G8 CarbonylContact O-C 3.54Å; Q4-G8 PolarHBondContact O-N 2.92Å; K5-G8 PolarHBondContact O-N 3.07Å; K5-G8 VanDerWaalsContact O-N 3.08Å
9D93.6Very high95.5Very high85 Ų8555.7 Ų55.746%0.45528%0.28SS..PPolyproline II helixtrans-75.4126.1176.8-70.7-21.4000109.9Q4 Q7Q4-D9 HydrophobicContact CB-CB 4.03Å; Q4-D9 HydrophobicContact CG-CB 4.31Å; Q4-D9 PolarHBondContact O-N 3.45Å; Q7-D9 VanDerWaalsContact C-N 3.26Å
10K95.6Very high95.6Very high122 Ų12256.6 Ų56.653%0.5329%0.291SS..PPolyproline II helixtrans-67.7137178.8-68.9-61.6-168.6-178.60111.3N200 T202 D203K10-N200 PolarHBondContact NZ-O 3.04Å; K10-T202 PolarHBondContact NZ-O 3.29Å; K10-D203 VanDerWaalsContact CA-O 3.31Å; K10-D203 WeakPolarHBondContact CA-O 3.31Å; K10-D203 WeakPolarHBondContact CD-O 3.45Å
11I97.7Very high95.7Very high2 Ų255.1 Ų55.11%0.0129%0.285CS..EExtended strand (participates in β ladder)trans-91.7120.1178.7-58.2161.2000109.5M1 Q4 N31 P192 I194 D203 G204 Q205M1-I11 HydrophobicContact CB-CD1 4.05Å; M1-I11 HydrophobicContact CE-CG2 3.77Å; M1-I11 HydrophobicContact CG-CD1 4.02Å; M1-I11 HydrophobicContact CG-CG2 4.14Å; Q4-I11 HydrophobicContact CB-CD1 4.4Å; Q4-I11 HydrophobicContact CB-CG1 3.88Å; I11-N31 WeakPolarHBondContact CA-OD1 3.41Å; I11-N31 HydrophobicContact CG2-CB 4.17Å; I11-P192 HydrophobicContact CD1-CB 3.78Å; I11-P192 HydrophobicContact CD1-CG 4.21Å; I11-I194 HydrophobicContact CB-CD1 3.98Å; I11-I194 HydrophobicContact CD1-CD1 4.11Å; I11-I194 HydrophobicContact CG2-CD1 3.87Å; I11-D203 HydrophobicContact CD1-CB 4.48Å; I11-D203 PolarHBondContact N-O 3.22Å; I11-G204 CarbonylContact O-C 3.56Å; I11-G204 WeakPolarHBondContact O-CA 3.33Å; I11-Q205 PolarHBondContact O-N 3.44Å
12S96.6Very high96Very high40 Ų4053.3 Ų53.328%0.2828%0.276SS..EExtended strand (participates in β ladder)trans-89.9127.7172.559.50000111N31 S32S12-N31 PolarHBondContact N-OD1 2.65Å; S12-N31 WeakPolarHBondContact O-CB 3.12Å; S12-N31 PolarHBondContact O-N 2.88Å; S12-N31 VanDerWaalsContact O-N 3.14Å; S12-N31 PolarHBondContact OG-N 2.97Å; S12-N31 VanDerWaalsContact OG-N 3.11Å; S12-N31 PolarHBondContact OG-OD1 3Å; S12-S32 PolarHBondContact O-N 3.44Å; S12-S32 VanDerWaalsContact O-N 3.15Å
13M98.2Very high96.1Very high3 Ų353.5 Ų53.52%0.01528%0.276CS..EExtended strand (participates in β ladder)trans-130.6136.7173.6-173.8-173.8-7800110.3M1 S32 L34 M128 I194 Q205 V206 L207M1-M13 HydrophobicContact CE-CE 3.55Å; M13-S32 VanDerWaalsContact CA-O 3.24Å; M13-S32 WeakPolarHBondContact CA-O 3.44Å; M13-S32 WeakPolarHBondContact CE-OG 3.31Å; M13-S32 WeakPolarHBondContact CG-O 3.18Å; M13-L34 HydrophobicContact CG-CB 4.22Å; M13-L34 HydrophobicContact SD-CB 3.93Å; M13-L34 HydrophobicContact SD-CD2 4.39Å; M13-M128 HydrophobicContact CE-CE 3.66Å; M13-M128 HydrophobicContact CE-SD 4Å; M13-I194 HydrophobicContact CB-CG2 4.48Å; M13-I194 HydrophobicContact CE-CG1 4.26Å; M13-I194 HydrophobicContact CE-CG2 4.46Å; M13-I194 HydrophobicContact SD-CG2 4.2Å; M13-Q205 PolarHBondContact N-O 2.92Å; M13-V206 HydrophobicContact CB-CB 3.91Å; M13-V206 HydrophobicContact CB-CG2 4.07Å; M13-V206 HydrophobicContact CG-CB 3.97Å; M13-V206 HydrophobicContact CG-CG2 3.68Å; M13-V206 VanDerWaalsContact O-CA 3.32Å; M13-V206 WeakPolarHBondContact O-CA 3.42Å; M13-V206 HydrophobicContact SD-CB 3.74Å; M13-V206 HydrophobicContact SD-CG2 3.67Å; M13-L207 PolarHBondContact O-N 3.05Å; M13-L207 VanDerWaalsContact O-N 3.16Å
14L97.5Very high96.2Very high16 Ų1652.3 Ų52.38%0.08428%0.276CS..EExtended strand (participates in β ladder)trans-126.3147.1172.8-68.3-179000110M25 I30 S32 L33 L34 L207 M212L14-M25 HydrophobicContact CB-CE 4.05Å; L14-M25 HydrophobicContact CB-SD 3.79Å; L14-M25 HydrophobicContact CD1-CE 3.87Å; L14-M25 HydrophobicContact CD1-CG 4.01Å; L14-M25 HydrophobicContact CD1-SD 3.97Å; L14-I30 HydrophobicContact CB-CG2 4.36Å; L14-I30 HydrophobicContact CD1-CD1 3.76Å; L14-I30 HydrophobicContact CD1-CG1 3.84Å; L14-I30 HydrophobicContact CG-CD1 4.1Å; L14-I30 HydrophobicContact CG-CG1 4.34Å; L14-I30 HydrophobicContact CG-CG2 4.25Å; L14-S32 PolarHBondContact N-O 2.92Å; L14-S32 VanDerWaalsContact N-O 3.16Å; L14-L33 CarbonylContact O-C 3.44Å; L14-L33 WeakPolarHBondContact O-CA 3.29Å; L14-L34 PolarHBondContact O-N 3.24Å; L14-L207 WeakPolarHBondContact CA-O 3.32Å; L14-L207 HydrophobicContact CD2-CB 3.87Å; L14-M212 HydrophobicContact CD1-CE 4.26Å; L14-M212 HydrophobicContact CD2-SD 4.03Å
15T97.3Very high96.5Very high4 Ų451.5 Ų51.53%0.02527%0.272CS..EExtended strand (participates in β ladder)trans-68.9143.7166.4650000110.2Y17 M25 L34 L207 V208 Y209T15-Y17 WeakPolarHBondContact CB-OH 3.38Å; T15-Y17 PolarHBondContact OG1-OH 3Å; T15-M25 WeakPolarHBondContact O-CE 3.3Å; T15-L34 CarbonylContact C-O 3.59Å; T15-L34 WeakPolarHBondContact CA-O 3.41Å; T15-L207 PolarHBondContact N-O 3.32Å; T15-V208 HydrophobicContact CG2-CG2 4.08Å; T15-V208 WeakPolarHBondContact OG1-CA 3.33Å; T15-Y209 WeakPolarHBondContact O-CD1 3.44Å; T15-Y209 PolarHBondContact OG1-N 2.76Å
16A97.7Very high96.5Very high0 Ų050.3 Ų50.30%027%0.267CS..  trans-143.3148.7173.900000110.1A22 M25 L33 L34 V64A16-A22 HydrophobicContact CB-CB 4.4Å; A16-M25 HydrophobicContact CB-SD 4.09Å; A16-L33 HydrophobicContact CB-CB 4.23Å; A16-L33 HydrophobicContact CB-CD1 4.25Å; A16-L33 HydrophobicContact CB-CD2 4.4Å; A16-L34 PolarHBondContact N-O 2.97Å; A16-V64 VanDerWaalsContact C-CG2 3.45Å; A16-V64 HydrophobicContact CB-CG1 3.96Å; A16-V64 HydrophobicContact CB-CG2 3.89Å; A16-V64 WeakPolarHBondContact O-CG2 3.46Å
17Y97.7Very high96.6Very high4 Ų450.4 Ų50.42%0.01627%0.268CS..  trans-137.3-6.5-172-55.9-60.5000114.2T15 S38 L39 V42 M43 H60 Y209 Q210T15-Y17 WeakPolarHBondContact CB-OH 3.38Å; T15-Y17 PolarHBondContact OG1-OH 3Å; Y17-S38 PolarHBondContact OH-OG 3.24Å; Y17-L39 HydrophobicContact CD1-CB 3.48Å; Y17-L39 VanDerWaalsContact CD1-CB 3.48Å; Y17-L39 HydrophobicContact CE1-CB 3.58Å; Y17-L39 HydrophobicContact CG-CB 4.3Å; Y17-V42 HydrophobicContact CD2-CG2 4.03Å; Y17-V42 HydrophobicContact CE2-CG2 3.45Å; Y17-V42 VanDerWaalsContact CE2-CG2 3.45Å; Y17-M43 HydrophobicContact CD1-CG 4.29Å; Y17-M43 HydrophobicContact CD2-CG 3.69Å; Y17-M43 HydrophobicContact CD2-SD 3.64Å; Y17-M43 HydrophobicContact CE2-CG 4.48Å; Y17-M43 HydrophobicContact CG-CG 3.59Å; Y17-M43 HydrophobicContact CG-SD 3.98Å; Y17-H60 PolarHBondContact O-CD2 3.37Å; Y17-Y209 AromaticContact CD2-CE1 3.8Å; Y17-Y209 HydrophobicContact CD2-CE1 3.8Å; Y17-Y209 HydrophobicContact CE2-CD1 4.46Å; Y17-Y209 HydrophobicContact CE2-CE1 4.04Å; Y17-Q210 VanDerWaalsContact CD2-NE2 3.34Å; Y17-Q210 VanDerWaalsContact CE2-NE2 3.28Å
18D97.9Very high96.6Very high43 Ų4348.8 Ų48.823%0.2327%0.274CS..SBendtrans-147165.6-179.37681.9000112S20 T21 A22D18-S20 WeakPolarHBondContact OD1-CA 3.34Å; D18-S20 WeakPolarHBondContact OD1-CB 3.45Å; D18-S20 PolarHBondContact OD1-N 3.43Å; D18-T21 PolarHBondContact OD1-N 2.92Å; D18-T21 PolarHBondContact OD1-OG1 3.25Å; D18-T21 VanDerWaalsContact OD2-CB 3.26Å; D18-T21 WeakPolarHBondContact OD2-CB 3.39Å; D18-T21 PolarHBondContact OD2-OG1 2.91Å; D18-A22 VanDerWaalsContact O-CB 3.24Å; D18-A22 WeakPolarHBondContact O-CB 3.45Å; D18-A22 PolarHBondContact O-N 3.47Å; D18-A22 VanDerWaalsContact O-N 3.11Å
19Y98.4Very high96.7Very high105 Ų10548.2 Ų48.241%0.41227%0.268SS..Hα-helixtrans-60.6-45.4-178.4169.3-97.5000113.8K23 A63 N66Y19-K23 HydrophobicContact CE1-CD 4.19Å; Y19-K23 WeakPolarHBondContact O-CB 3.34Å; Y19-K23 PolarHBondContact O-N 2.92Å; Y19-K23 PolarHBondContact OH-NZ 3.42Å; Y19-A63 VanDerWaalsContact CA-O 3.28Å; Y19-A63 WeakPolarHBondContact CA-O 3.34Å; Y19-N66 HydrophobicContact CD2-CB 3.98Å; Y19-N66 HydrophobicContact CE2-CB 4.46Å; Y19-N66 WeakPolarHBondContact CE2-O 3.46Å
20S97.7Very high96.8Very high73 Ų7345.6 Ų45.651%0.5125%0.254SS..Hα-helixtrans-70.3-45.8-171.4-58.20000110.3D18 K23 L24D18-S20 WeakPolarHBondContact OD1-CA 3.34Å; D18-S20 WeakPolarHBondContact OD1-CB 3.45Å; D18-S20 PolarHBondContact OD1-N 3.43Å; S20-K23 PolarHBondContact O-N 3.47Å; S20-L24 WeakPolarHBondContact O-CG 3.4Å; S20-L24 PolarHBondContact O-N 3.06Å; S20-L24 VanDerWaalsContact O-N 3.15Å
21T96.2Very high96.9Very high27 Ų2742.2 Ų42.217%0.16624%0.241CC..Hα-helixtrans-64-45.4177.2-560000110.9D18 K23 L24 M25 Y209D18-T21 PolarHBondContact OD1-N 2.92Å; D18-T21 PolarHBondContact OD1-OG1 3.25Å; D18-T21 VanDerWaalsContact OD2-CB 3.26Å; D18-T21 WeakPolarHBondContact OD2-CB 3.39Å; D18-T21 PolarHBondContact OD2-OG1 2.91Å; T21-K23 VanDerWaalsContact C-N 3.34Å; T21-K23 PolarHBondContact O-N 3.24Å; T21-L24 PolarHBondContact O-N 3.33Å; T21-M25 HydrophobicContact CG2-CE 3.42Å; T21-M25 VanDerWaalsContact CG2-CE 3.42Å; T21-M25 HydrophobicContact CG2-SD 4Å; T21-M25 WeakPolarHBondContact O-CG 3.39Å; T21-M25 PolarHBondContact O-N 3.39Å; T21-Y209 HydrophobicContact CG2-CD1 4.44Å; T21-Y209 HydrophobicContact CG2-CD2 4.24Å; T21-Y209 HydrophobicContact CG2-CE1 4.14Å; T21-Y209 HydrophobicContact CG2-CE2 3.96Å; T21-Y209 HydrophobicContact CG2-CG 4.49Å
22A98.1Very high96.9Very high0 Ų042.1 Ų42.10%024%0.241CC..Hα-helixtrans-58.7-44.517700000112.3A16 D18 L24 M25 D26 L33 V64A16-A22 HydrophobicContact CB-CB 4.4Å; D18-A22 VanDerWaalsContact O-CB 3.24Å; D18-A22 WeakPolarHBondContact O-CB 3.45Å; D18-A22 PolarHBondContact O-N 3.47Å; D18-A22 VanDerWaalsContact O-N 3.11Å; A22-L24 PolarHBondContact O-N 3.39Å; A22-M25 PolarHBondContact O-N 3.36Å; A22-D26 WeakPolarHBondContact O-CB 3.48Å; A22-D26 PolarHBondContact O-N 3.03Å; A22-L33 HydrophobicContact CB-CD1 3.75Å; A22-V64 HydrophobicContact CB-CB 4.25Å; A22-V64 HydrophobicContact CB-CG1 3.9Å; A22-V64 HydrophobicContact CB-CG2 4.42Å; A22-V64 WeakPolarHBondContact CB-O 3.45Å
23K97Very high97Very high79 Ų7940.2 Ų40.234%0.34323%0.228SC..Hα-helixtrans-61.1-42178.3-174176.7-172173.10112.9Y19 S20 T21 Q27 G67Y19-K23 HydrophobicContact CE1-CD 4.19Å; Y19-K23 WeakPolarHBondContact O-CB 3.34Å; Y19-K23 PolarHBondContact O-N 2.92Å; Y19-K23 PolarHBondContact OH-NZ 3.42Å; S20-K23 PolarHBondContact O-N 3.47Å; T21-K23 VanDerWaalsContact C-N 3.34Å; T21-K23 PolarHBondContact O-N 3.24Å; K23-Q27 WeakPolarHBondContact O-CB 3.38Å; K23-Q27 VanDerWaalsContact O-CG 3.25Å; K23-Q27 WeakPolarHBondContact O-CG 3.31Å; K23-Q27 PolarHBondContact O-N 3.26Å; K23-Q27 VanDerWaalsContact O-N 3.1Å; K23-G67 VanDerWaalsContact CA-O 3.32Å; K23-G67 WeakPolarHBondContact CA-O 3.47Å
24L96.9Very high97Very high115 Ų11540.6 Ų40.660%0.60223%0.229SC*.Hα-helixtrans-66-41.8177.2-69.6171.8000111.7S20 T21 A22 Q27 A28S20-L24 WeakPolarHBondContact O-CG 3.4Å; S20-L24 PolarHBondContact O-N 3.06Å; S20-L24 VanDerWaalsContact O-N 3.15Å; T21-L24 PolarHBondContact O-N 3.33Å; A22-L24 PolarHBondContact O-N 3.39Å; L24-Q27 PolarHBondContact O-N 3.17Å; L24-A28 WeakPolarHBondContact O-CB 3.34Å; L24-A28 PolarHBondContact O-N 3.09Å
25M97.3Very high97Very high16 Ų1639.8 Ų39.88%0.07923%0.225CC..Hα-helixtrans-67.2-39.5178.2-68.2174.2174.800112.4L14 T15 A16 T21 A22 A28 G29 I30 L33 Y209L14-M25 HydrophobicContact CB-CE 4.05Å; L14-M25 HydrophobicContact CB-SD 3.79Å; L14-M25 HydrophobicContact CD1-CE 3.87Å; L14-M25 HydrophobicContact CD1-CG 4.01Å; L14-M25 HydrophobicContact CD1-SD 3.97Å; T15-M25 WeakPolarHBondContact O-CE 3.3Å; A16-M25 HydrophobicContact CB-SD 4.09Å; T21-M25 HydrophobicContact CG2-CE 3.42Å; T21-M25 VanDerWaalsContact CG2-CE 3.42Å; T21-M25 HydrophobicContact CG2-SD 4Å; T21-M25 WeakPolarHBondContact O-CG 3.39Å; T21-M25 PolarHBondContact O-N 3.39Å; A22-M25 PolarHBondContact O-N 3.36Å; M25-A28 PolarHBondContact O-N 3.09Å; M25-G29 PolarHBondContact O-N 3.36Å; M25-I30 HydrophobicContact CB-CB 4.41Å; M25-I30 HydrophobicContact CB-CG1 4.11Å; M25-I30 WeakPolarHBondContact O-CB 3.35Å; M25-I30 WeakPolarHBondContact O-CG1 3.34Å; M25-I30 PolarHBondContact O-N 3.24Å; M25-L33 HydrophobicContact CB-CD2 3.72Å; M25-L33 HydrophobicContact CG-CD2 4.39Å; M25-L33 HydrophobicContact SD-CD2 3.77Å; M25-Y209 HydrophobicContact CE-CD1 3.82Å; M25-Y209 HydrophobicContact CE-CD2 3.95Å; M25-Y209 HydrophobicContact CE-CG 3.42Å; M25-Y209 VanDerWaalsContact CE-CG 3.42Å
26D96.3Very high97Very high11 Ų1139.7 Ų39.76%0.05923%0.225CC..Hα-helixtrans-61.7-46.5175.4-166.992.8000111.3A22 A28 G29 Q69 N70 A71A22-D26 WeakPolarHBondContact O-CB 3.48Å; A22-D26 PolarHBondContact O-N 3.03Å; D26-A28 VanDerWaalsContact C-N 3.26Å; D26-A28 PolarHBondContact O-N 3.46Å; D26-G29 PolarHBondContact O-N 3Å; D26-Q69 VanDerWaalsContact CG-N 3.31Å; D26-Q69 PolarHBondContact OD1-N 3.46Å; D26-Q69 PolarHBondContact OD2-N 2.69Å; D26-N70 PolarHBondContact OD1-N 2.86Å; D26-N70 PolarHBondContact OD2-N 3.21Å; D26-N70 PolarHBondContact OD2-ND2 3.45Å; D26-A71 WeakPolarHBondContact OD1-CB 3.35Å; D26-A71 PolarHBondContact OD1-N 3.37Å
27Q94.7Very high96.8Very high138 Ų13840 Ų4065%0.64523%0.226SC*.Hα-helixtrans-64.5-29.4176.1-72175.8-9.100113.2K23 L24 G29K23-Q27 WeakPolarHBondContact O-CB 3.38Å; K23-Q27 VanDerWaalsContact O-CG 3.25Å; K23-Q27 WeakPolarHBondContact O-CG 3.31Å; K23-Q27 PolarHBondContact O-N 3.26Å; K23-Q27 VanDerWaalsContact O-N 3.1Å; L24-Q27 PolarHBondContact O-N 3.17Å; Q27-G29 PolarHBondContact O-N 3.42Å
28A94.7Very high96.5Very high81 Ų8140.8 Ų40.867%0.66923%0.233SC*.THydrogen-bonded Turntrans-75.1-4.7173.900000113.3L24 M25 D26L24-A28 WeakPolarHBondContact O-CB 3.34Å; L24-A28 PolarHBondContact O-N 3.09Å; M25-A28 PolarHBondContact O-N 3.09Å; D26-A28 VanDerWaalsContact C-N 3.26Å; D26-A28 PolarHBondContact O-N 3.46Å
29G93.6Very high96.4Very high48 Ų4838.8 Ų38.850%0.49522%0.222SC..THydrogen-bonded Turntrans82.123.4177.400000114.5M25 D26 Q27 N31M25-G29 PolarHBondContact O-N 3.36Å; D26-G29 PolarHBondContact O-N 3Å; Q27-G29 PolarHBondContact O-N 3.42Å; G29-N31 PolarHBondContact O-N 3.11Å
30I96.5Very high96.1Very high31 Ų3133.8 Ų33.816%0.15920%0.202CC..  trans-64.4132.7172.4-60.6-62.2000109.6L14 M25 S32 L33 A71L14-I30 HydrophobicContact CB-CG2 4.36Å; L14-I30 HydrophobicContact CD1-CD1 3.76Å; L14-I30 HydrophobicContact CD1-CG1 3.84Å; L14-I30 HydrophobicContact CG-CD1 4.1Å; L14-I30 HydrophobicContact CG-CG1 4.34Å; L14-I30 HydrophobicContact CG-CG2 4.25Å; M25-I30 HydrophobicContact CB-CB 4.41Å; M25-I30 HydrophobicContact CB-CG1 4.11Å; M25-I30 WeakPolarHBondContact O-CB 3.35Å; M25-I30 WeakPolarHBondContact O-CG1 3.34Å; M25-I30 PolarHBondContact O-N 3.24Å; I30-S32 VanDerWaalsContact CG2-O 3.29Å; I30-S32 WeakPolarHBondContact CG2-O 3.23Å; I30-L33 HydrophobicContact CB-CD2 4.47Å; I30-L33 HydrophobicContact CG2-CD2 3.96Å; I30-A71 WeakPolarHBondContact O-CB 3.24Å
31N96.9Very high95.7Very high51 Ų5133.6 Ų33.627%0.27319%0.194SC..SBendtrans-76.1-30.1-172.5-53.2139000113.2Q4 I11 S12 G29 A71 L72Q4-N31 VanDerWaalsContact NE2-CG 3.3Å; Q4-N31 PolarHBondContact NE2-OD1 2.72Å; I11-N31 WeakPolarHBondContact CA-OD1 3.41Å; I11-N31 HydrophobicContact CG2-CB 4.17Å; S12-N31 PolarHBondContact N-OD1 2.65Å; S12-N31 WeakPolarHBondContact O-CB 3.12Å; S12-N31 PolarHBondContact O-N 2.88Å; S12-N31 VanDerWaalsContact O-N 3.14Å; S12-N31 PolarHBondContact OG-N 2.97Å; S12-N31 VanDerWaalsContact OG-N 3.11Å; S12-N31 PolarHBondContact OG-OD1 3Å; G29-N31 PolarHBondContact O-N 3.11Å; N31-A71 WeakPolarHBondContact O-CA 3.31Å; N31-L72 PolarHBondContact O-N 3.11Å
32S97.8Very high95.4Very high0 Ų033.7 Ų33.70%020%0.195CC..EExtended strand (participates in β ladder)trans-149.6143.4-178.1-175.90000112.3S12 M13 L14 I30 L72S12-S32 PolarHBondContact O-N 3.44Å; S12-S32 VanDerWaalsContact O-N 3.15Å; M13-S32 VanDerWaalsContact CA-O 3.24Å; M13-S32 WeakPolarHBondContact CA-O 3.44Å; M13-S32 WeakPolarHBondContact CE-OG 3.31Å; M13-S32 WeakPolarHBondContact CG-O 3.18Å; L14-S32 PolarHBondContact N-O 2.92Å; L14-S32 VanDerWaalsContact N-O 3.16Å; I30-S32 VanDerWaalsContact CG2-O 3.29Å; I30-S32 WeakPolarHBondContact CG2-O 3.23Å; S32-L72 CarbonylContact C-O 3.37Å; S32-L72 WeakPolarHBondContact CA-O 3.49Å; S32-L72 WeakPolarHBondContact CB-O 3.31Å; S32-L72 PolarHBondContact OG-O 3.21Å
33L98.5Very high95.1Very high0 Ų037.2 Ų37.20%021%0.212CC..EExtended strand (participates in β ladder)trans-112.2129.4174-57.5-178.4000109.1L14 A16 A22 M25 I30 V64 A68 A71 L72 V73 V74L14-L33 CarbonylContact O-C 3.44Å; L14-L33 WeakPolarHBondContact O-CA 3.29Å; A16-L33 HydrophobicContact CB-CB 4.23Å; A16-L33 HydrophobicContact CB-CD1 4.25Å; A16-L33 HydrophobicContact CB-CD2 4.4Å; A22-L33 HydrophobicContact CB-CD1 3.75Å; M25-L33 HydrophobicContact CB-CD2 3.72Å; M25-L33 HydrophobicContact CG-CD2 4.39Å; M25-L33 HydrophobicContact SD-CD2 3.77Å; I30-L33 HydrophobicContact CB-CD2 4.47Å; I30-L33 HydrophobicContact CG2-CD2 3.96Å; L33-V64 HydrophobicContact CB-CG1 4.09Å; L33-V64 HydrophobicContact CD1-CG1 3.95Å; L33-A68 HydrophobicContact CD1-CB 3.98Å; L33-A71 HydrophobicContact CD1-CB 4.36Å; L33-A71 HydrophobicContact CG-CB 3.93Å; L33-L72 PolarHBondContact N-O 2.96Å; L33-V73 WeakPolarHBondContact O-CA 3.34Å; L33-V74 PolarHBondContact O-N 3.09Å
34L98.5Very high95Very high10 Ų1036.6 Ų36.65%0.05221%0.212CC..EExtended strand (participates in β ladder)trans-103.6119.9176.6176.662.4000110M13 L14 T15 A16 G36 V74 K106 V206M13-L34 HydrophobicContact CG-CB 4.22Å; M13-L34 HydrophobicContact SD-CB 3.93Å; M13-L34 HydrophobicContact SD-CD2 4.39Å; L14-L34 PolarHBondContact O-N 3.24Å; T15-L34 CarbonylContact C-O 3.59Å; T15-L34 WeakPolarHBondContact CA-O 3.41Å; A16-L34 PolarHBondContact N-O 2.97Å; L34-G36 PolarHBondContact O-N 3.38Å; L34-V74 CarbonylContact C-O 3.58Å; L34-V74 WeakPolarHBondContact CA-O 3.41Å; L34-V74 HydrophobicContact CD1-CB 4.21Å; L34-V74 HydrophobicContact CD1-CG1 4.25Å; L34-K106 HydrophobicContact CD1-CD 4.38Å; L34-V206 HydrophobicContact CD2-CG2 4.16Å
35V98.4Very high94.6Very high0 Ų034.2 Ų34.20%022%0.215CC..EExtended strand (participates in β ladder)trans-9192.4165.4-171.60000107.2L39 M57 H60 V64 V73 V74 T75 D76V35-L39 HydrophobicContact CG1-CD2 4.21Å; V35-M57 HydrophobicContact CG1-CE 4.09Å; V35-M57 WeakPolarHBondContact O-CE 3.46Å; V35-H60 HydrophobicContact CG1-CB 3.89Å; V35-V64 HydrophobicContact CG2-CB 3.77Å; V35-V64 HydrophobicContact CG2-CG1 3.84Å; V35-V64 HydrophobicContact CG2-CG2 3.78Å; V35-V73 HydrophobicContact CG2-CG1 4.33Å; V35-V74 PolarHBondContact N-O 3.49Å; V35-T75 HydrophobicContact CB-CG2 4.07Å; V35-T75 HydrophobicContact CG1-CG2 4.35Å; V35-T75 WeakPolarHBondContact O-CA 3.44Å; V35-D76 PolarHBondContact O-N 3.44Å
36G96Very high94.2Very high1 Ų137.5 Ų37.51%0.0123%0.228CC..  trans-88.9155-178.200000113L34 S38 L39 D76L34-G36 PolarHBondContact O-N 3.38Å; G36-S38 PolarHBondContact O-N 2.91Å; G36-L39 WeakPolarHBondContact O-CB 3.03Å; G36-L39 WeakPolarHBondContact O-CD2 3.26Å; G36-L39 PolarHBondContact O-N 2.9Å; G36-L39 VanDerWaalsContact O-N 3.07Å; G36-D76 VanDerWaalsContact CA-OD2 3.31Å; G36-D76 WeakPolarHBondContact CA-OD2 3.36Å
37D94.1Very high93.5Very high6 Ų646 Ų463%0.03227%0.267CS..THydrogen-bonded Turntrans-63.4-14.9172.759.48.5000113.1L39 G40 T49 V52 M57 D76 Q136D37-L39 PolarHBondContact O-N 3Å; D37-G40 PolarHBondContact O-N 3.39Å; D37-T49 HydrophobicContact CB-CG2 4.42Å; D37-V52 HydrophobicContact CB-CB 4.45Å; D37-V52 HydrophobicContact CB-CG1 4.4Å; D37-V52 WeakPolarHBondContact O-CG2 3.24Å; D37-M57 HydrophobicContact CB-SD 4.31Å; D37-D76 PolarHBondContact N-OD2 3.33Å; D37-Q136 WeakPolarHBondContact OD2-CG 3.4Å; D37-Q136 PolarHBondContact OD2-NE2 2.77Å
38S91.4Very high92.9Very high22 Ų2241.2 Ų41.215%0.15425%0.246CC..THydrogen-bonded Turntrans-54.2-17.1166.251.70000114.1Y17 G36 G40 M41 V42Y17-S38 PolarHBondContact OH-OG 3.24Å; G36-S38 PolarHBondContact O-N 2.91Å; S38-G40 PolarHBondContact O-N 3Å; S38-G40 VanDerWaalsContact O-N 3.15Å; S38-M41 PolarHBondContact O-N 3.07Å; S38-V42 WeakPolarHBondContact O-CG2 3.42Å; S38-V42 PolarHBondContact O-N 3.09Å
39L95.2Very high92.5Very high0 Ų037.6 Ų37.60%022%0.216CC..Hα-helixtrans-50.5-33.6169.176.285.8000112.5Y17 V35 G36 D37 M41 V42 M43 L44 V52 D56 M57 H60Y17-L39 HydrophobicContact CD1-CB 3.48Å; Y17-L39 VanDerWaalsContact CD1-CB 3.48Å; Y17-L39 HydrophobicContact CE1-CB 3.58Å; Y17-L39 HydrophobicContact CG-CB 4.3Å; V35-L39 HydrophobicContact CG1-CD2 4.21Å; G36-L39 WeakPolarHBondContact O-CB 3.03Å; G36-L39 WeakPolarHBondContact O-CD2 3.26Å; G36-L39 PolarHBondContact O-N 2.9Å; G36-L39 VanDerWaalsContact O-N 3.07Å; D37-L39 PolarHBondContact O-N 3Å; L39-M41 VanDerWaalsContact C-N 3.29Å; L39-M41 PolarHBondContact O-N 3.44Å; L39-V42 PolarHBondContact O-N 3.4Å; L39-M43 HydrophobicContact CB-CG 4.23Å; L39-M43 WeakPolarHBondContact O-CA 3.38Å; L39-M43 VanDerWaalsContact O-CB 3.24Å; L39-M43 WeakPolarHBondContact O-CB 3.45Å; L39-M43 PolarHBondContact O-N 3.45Å; L39-L44 HydrophobicContact CD1-CD1 3.51Å; L39-L44 HydrophobicContact CD1-CG 4Å; L39-L44 PolarHBondContact O-N 2.91Å; L39-L44 VanDerWaalsContact O-N 3.09Å; L39-V52 HydrophobicContact CD1-CG1 4.39Å; L39-D56 HydrophobicContact CD1-CB 4.11Å; L39-M57 HydrophobicContact CD2-CE 4.05Å; L39-M57 HydrophobicContact CD2-SD 3.42Å; L39-M57 WeakPolarHBondContact CD2-SD 3.45Å; L39-M57 HydrophobicContact CG-SD 4.24Å; L39-H60 HydrophobicContact CD2-CB 3.93Å
40G93.2Very high92.3Very high0 Ų037.3 Ų37.30%020%0.202CC..Iπ-helixtrans-54.6-49.5177.600000110.7D37 S38 L44 G45 Y46D37-G40 PolarHBondContact O-N 3.39Å; S38-G40 PolarHBondContact O-N 3Å; S38-G40 VanDerWaalsContact O-N 3.15Å; G40-L44 CarbonylContact O-C 3.6Å; G40-L44 WeakPolarHBondContact O-CA 3.19Å; G40-L44 WeakPolarHBondContact O-CB 3.44Å; G40-L44 PolarHBondContact O-N 3.02Å; G40-G45 PolarHBondContact O-N 3.28Å; G40-Y46 WeakPolarHBondContact O-CB 3.43Å; G40-Y46 PolarHBondContact O-N 2.97Å
41M88.5Confident92.1Very high69 Ų6939 Ų3934%0.3422%0.217SC..Iπ-helixtrans-75.8-48.1-179.4-58.4177.7-65.100112.3S38 L39 Y46 T49S38-M41 PolarHBondContact O-N 3.07Å; L39-M41 VanDerWaalsContact C-N 3.29Å; L39-M41 PolarHBondContact O-N 3.44Å; M41-Y46 WeakPolarHBondContact CA-O 3.4Å; M41-T49 HydrophobicContact CE-CG2 3.81Å
42V89Confident92Very high29 Ų2936.8 Ų36.818%0.17621%0.205CC..Iπ-helixtrans-88.7-17.7-167.7-53.30000114.3Y17 S38 L39 Y216Y17-V42 HydrophobicContact CD2-CG2 4.03Å; Y17-V42 HydrophobicContact CE2-CG2 3.45Å; Y17-V42 VanDerWaalsContact CE2-CG2 3.45Å; S38-V42 WeakPolarHBondContact O-CG2 3.42Å; S38-V42 PolarHBondContact O-N 3.09Å; L39-V42 PolarHBondContact O-N 3.4Å; V42-Y216 HydrophobicContact CG1-CE2 4.42Å; V42-Y216 PolarHBondContact O-OH 3.42Å; V42-Y216 VanDerWaalsContact O-OH 3.13Å
43M92.9Very high92Very high74 Ų7439.9 Ų39.937%0.36522%0.224SC..Iπ-helixtrans-116.2-40179.4-55.7-58.8-63.900112.8Y17 L39Y17-M43 HydrophobicContact CD1-CG 4.29Å; Y17-M43 HydrophobicContact CD2-CG 3.69Å; Y17-M43 HydrophobicContact CD2-SD 3.64Å; Y17-M43 HydrophobicContact CE2-CG 4.48Å; Y17-M43 HydrophobicContact CG-CG 3.59Å; Y17-M43 HydrophobicContact CG-SD 3.98Å; L39-M43 HydrophobicContact CB-CG 4.23Å; L39-M43 WeakPolarHBondContact O-CA 3.38Å; L39-M43 VanDerWaalsContact O-CB 3.24Å; L39-M43 WeakPolarHBondContact O-CB 3.45Å; L39-M43 PolarHBondContact O-N 3.45Å
44L94.6Very high91.9Very high66 Ų6641 Ų4135%0.34623%0.23SC..Iπ-helixtrans-102.1-11.9-172.8-55.7-179.3000113.8L39 G40 Y46 D56L39-L44 HydrophobicContact CD1-CD1 3.51Å; L39-L44 HydrophobicContact CD1-CG 4Å; L39-L44 PolarHBondContact O-N 2.91Å; L39-L44 VanDerWaalsContact O-N 3.09Å; G40-L44 CarbonylContact O-C 3.6Å; G40-L44 WeakPolarHBondContact O-CA 3.19Å; G40-L44 WeakPolarHBondContact O-CB 3.44Å; G40-L44 PolarHBondContact O-N 3.02Å; L44-Y46 HydrophobicContact CB-CD1 4.14Å; L44-Y46 HydrophobicContact CB-CD2 4.39Å; L44-Y46 HydrophobicContact CB-CE1 3.93Å; L44-Y46 HydrophobicContact CB-CE2 4.21Å; L44-Y46 HydrophobicContact CB-CG 4.36Å; L44-Y46 HydrophobicContact CD1-CE2 3.79Å; L44-D56 HydrophobicContact CD1-CB 4.21Å
45G88.8Confident91.9Very high65 Ų6545.5 Ų45.567%0.6725%0.25SS*.  trans73.423.3179.600000114.5G40G40-G45 PolarHBondContact O-N 3.28Å
46Y89.4Confident91.9Very high86 Ų8646.9 Ų46.934%0.33726%0.258SS..  trans-69.4153.6170.5-58.8-16.3000110.9G40 M41 L44 D48 V52G40-Y46 WeakPolarHBondContact O-CB 3.43Å; G40-Y46 PolarHBondContact O-N 2.97Å; M41-Y46 WeakPolarHBondContact CA-O 3.4Å; L44-Y46 HydrophobicContact CB-CD1 4.14Å; L44-Y46 HydrophobicContact CB-CD2 4.39Å; L44-Y46 HydrophobicContact CB-CE1 3.93Å; L44-Y46 HydrophobicContact CB-CE2 4.21Å; L44-Y46 HydrophobicContact CB-CG 4.36Å; L44-Y46 HydrophobicContact CD1-CE2 3.79Å; Y46-D48 VanDerWaalsContact C-N 3.32Å; Y46-V52 HydrophobicContact CD2-CG2 4.09Å; Y46-V52 HydrophobicContact CE2-CG2 4.45Å
47E81.5Confident92Very high189 Ų18946.9 Ų46.988%0.88326%0.258SS*.SBendtrans-71.8-27.3179.6-64.6-171.8169.400112.8
48D82.1Confident92.3Very high37 Ų3746.9 Ų46.920%0.19826%0.258CS..SBendtrans-150.9179.6-177.161.943.1000112.6Y46 L50 S51Y46-D48 VanDerWaalsContact C-N 3.32Å; D48-L50 WeakPolarHBondContact OD1-CA 3.4Å; D48-L50 WeakPolarHBondContact OD1-CB 3.28Å; D48-L50 PolarHBondContact OD1-N 3.44Å; D48-S51 PolarHBondContact OD1-N 2.93Å; D48-S51 PolarHBondContact OD1-OG 2.84Å
49T86Confident92.6Very high6 Ų651 Ų514%0.03727%0.274CS..SBendtrans-84.7-11.8176.7610000113.6D37 M41 S51 V52D37-T49 HydrophobicContact CB-CG2 4.42Å; M41-T49 HydrophobicContact CE-CG2 3.81Å; T49-S51 VanDerWaalsContact C-N 3.25Å; T49-S51 PolarHBondContact O-N 2.78Å; T49-V52 WeakPolarHBondContact O-CB 3.03Å; T49-V52 PolarHBondContact O-N 3.46Å
50L89Confident92.7Very high41 Ų4151.9 Ų51.922%0.21528%0.278CS..THydrogen-bonded Turntrans-71.9-24.5-177.5-57.8178.6000112D48 V52 F79 I138 H139D48-L50 WeakPolarHBondContact OD1-CA 3.4Å; D48-L50 WeakPolarHBondContact OD1-CB 3.28Å; D48-L50 PolarHBondContact OD1-N 3.44Å; L50-V52 VanDerWaalsContact C-N 3.28Å; L50-V52 PolarHBondContact O-N 3.25Å; L50-F79 HydrophobicContact CB-CD1 4.45Å; L50-F79 HydrophobicContact CD2-CB 4.15Å; L50-F79 HydrophobicContact CD2-CD1 3.96Å; L50-F79 HydrophobicContact CD2-CD2 4.15Å; L50-F79 HydrophobicContact CD2-CE1 4.4Å; L50-F79 HydrophobicContact CD2-CG 3.82Å; L50-I138 HydrophobicContact CD1-CG2 4.44Å; L50-H139 VanDerWaalsContact CD1-CD2 3.5Å; L50-H139 WeakPolarHBondContact CD1-CD2 3.29Å; L50-H139 WeakPolarHBondContact CD1-NE2 3.43Å
51S91.6Very high93Very high66 Ų6651.9 Ų51.946%0.46228%0.278SS..THydrogen-bonded Turntrans-78.3-9178.1-58.40000113.9D48 T49D48-S51 PolarHBondContact OD1-N 2.93Å; D48-S51 PolarHBondContact OD1-OG 2.84Å; T49-S51 VanDerWaalsContact C-N 3.25Å; T49-S51 PolarHBondContact O-N 2.78Å
52V95.6Very high93.5Very high6 Ų653.9 Ų53.94%0.03628%0.282CS..  trans-75.8130.4-176178.40000111.2D37 L39 Y46 T49 L50 D56 M57 P78D37-V52 HydrophobicContact CB-CB 4.45Å; D37-V52 HydrophobicContact CB-CG1 4.4Å; D37-V52 WeakPolarHBondContact O-CG2 3.24Å; L39-V52 HydrophobicContact CD1-CG1 4.39Å; Y46-V52 HydrophobicContact CD2-CG2 4.09Å; Y46-V52 HydrophobicContact CE2-CG2 4.45Å; T49-V52 WeakPolarHBondContact O-CB 3.03Å; T49-V52 PolarHBondContact O-N 3.46Å; L50-V52 VanDerWaalsContact C-N 3.28Å; L50-V52 PolarHBondContact O-N 3.25Å; V52-D56 HydrophobicContact CG1-CB 4.09Å; V52-M57 HydrophobicContact CG1-CG 3.91Å; V52-M57 HydrophobicContact CG1-SD 3.55Å; V52-M57 VanDerWaalsContact CG1-SD 3.55Å; V52-P78 HydrophobicContact CG1-CB 4.29Å; V52-P78 WeakPolarHBondContact O-CB 3.34Å
53T96.9Very high93.9Very high65 Ų6553.6 Ų53.640%0.39928%0.283SS..  trans-98.4165.3-177.971.70000112.5E55 D56 M57T53-E55 PolarHBondContact O-N 3.04Å; T53-E55 PolarHBondContact OG1-N 3.28Å; T53-D56 WeakPolarHBondContact CB-OD2 3.31Å; T53-D56 PolarHBondContact N-OD2 2.76Å; T53-D56 PolarHBondContact O-N 2.9Å; T53-D56 PolarHBondContact OG1-N 2.89Å; T53-D56 PolarHBondContact OG1-OD2 3.29Å; T53-M57 WeakPolarHBondContact O-CG 3.48Å; T53-M57 PolarHBondContact O-N 3.06Å
54M97.8Very high94.2Very high24 Ų2450.1 Ų50.112%0.11827%0.265CS..Hα-helixtrans-56.3-35.7168.8-80.3-62.6-58.600112.5M57 I58 L77 P78 S81 N92 R95 L96M54-M57 PolarHBondContact O-N 3.33Å; M54-I58 HydrophobicContact CE-CD1 4.24Å; M54-I58 WeakPolarHBondContact O-CB 3.44Å; M54-I58 WeakPolarHBondContact O-CD1 3.48Å; M54-I58 WeakPolarHBondContact O-CG1 3.41Å; M54-I58 PolarHBondContact O-N 2.98Å; M54-L77 HydrophobicContact SD-CD2 4.39Å; M54-P78 HydrophobicContact CG-CG 4.05Å; M54-P78 WeakPolarHBondContact SD-CD 3.28Å; M54-P78 HydrophobicContact SD-CG 3.61Å; M54-S81 VanDerWaalsContact SD-CB 3.57Å; M54-N92 HydrophobicContact CE-CB 3.76Å; M54-N92 WeakPolarHBondContact CE-O 3.44Å; M54-N92 HydrophobicContact SD-CB 3.95Å; M54-R95 HydrophobicContact CE-CB 4.28Å; M54-L96 HydrophobicContact CE-CD2 4.17Å; M54-L96 HydrophobicContact CE-CG 4.03Å
55E98.4Very high94.4Very high103 Ų10347.8 Ų47.848%0.48126%0.256SS..Hα-helixtrans-70.9-36.9-178.4-57.3-51.5131.800111.8T53 I58 H59 R95T53-E55 PolarHBondContact O-N 3.04Å; T53-E55 PolarHBondContact OG1-N 3.28Å; E55-I58 PolarHBondContact O-N 3.48Å; E55-H59 WeakPolarHBondContact O-CB 3.39Å; E55-H59 PolarHBondContact O-N 3.43Å; E55-R95 IonicContact OE1-CZ 2.98Å; E55-R95 VanDerWaalsContact OE1-CZ 3.27Å; E55-R95 IonicContact OE1-NH1 2.84Å; E55-R95 PolarHBondContact OE1-NH1 3.23Å; E55-R95 IonicContact OE1-NH2 2.72Å; E55-R95 PolarHBondContact OE1-NH2 2.68Å; E55-R95 IonicContact OE2-NH2 3.81Å; E55-R95 PolarHBondContact OE2-NH2 2.85Å
56D98.2Very high94.8Very high30 Ų3049.7 Ų49.716%0.1625%0.251CS..Hα-helixtrans-61.5-47.9173.9-59.1-48.4000110.9L39 L44 V52 T53 H59 H60L39-D56 HydrophobicContact CD1-CB 4.11Å; L44-D56 HydrophobicContact CD1-CB 4.21Å; V52-D56 HydrophobicContact CG1-CB 4.09Å; T53-D56 WeakPolarHBondContact CB-OD2 3.31Å; T53-D56 PolarHBondContact N-OD2 2.76Å; T53-D56 PolarHBondContact O-N 2.9Å; T53-D56 PolarHBondContact OG1-N 2.89Å; T53-D56 PolarHBondContact OG1-OD2 3.29Å; D56-H59 PolarHBondContact O-N 2.7Å; D56-H60 PolarHBondContact O-N 3.23Å; D56-H60 VanDerWaalsContact O-N 3.08Å; D56-H60 PolarHBondContact O-ND1 3.03Å
57M98.6Very high95.2Very high0 Ų045.8 Ų45.80%024%0.237CC..Hα-helixtrans-62-46.4178.2-63.8-52.2-58.200111.6V35 D37 L39 V52 T53 M54 H59 H60 S61 T75 D76 P78 L96V35-M57 HydrophobicContact CG1-CE 4.09Å; V35-M57 WeakPolarHBondContact O-CE 3.46Å; D37-M57 HydrophobicContact CB-SD 4.31Å; L39-M57 HydrophobicContact CD2-CE 4.05Å; L39-M57 HydrophobicContact CD2-SD 3.42Å; L39-M57 WeakPolarHBondContact CD2-SD 3.45Å; L39-M57 HydrophobicContact CG-SD 4.24Å; V52-M57 HydrophobicContact CG1-CG 3.91Å; V52-M57 HydrophobicContact CG1-SD 3.55Å; V52-M57 VanDerWaalsContact CG1-SD 3.55Å; T53-M57 WeakPolarHBondContact O-CG 3.48Å; T53-M57 PolarHBondContact O-N 3.06Å; M54-M57 PolarHBondContact O-N 3.33Å; M57-H59 PolarHBondContact O-N 2.96Å; M57-H60 PolarHBondContact O-N 2.68Å; M57-S61 WeakPolarHBondContact O-CB 3.39Å; M57-S61 PolarHBondContact O-N 3.18Å; M57-T75 HydrophobicContact CB-CG2 4.35Å; M57-T75 HydrophobicContact CE-CG2 3.63Å; M57-D76 HydrophobicContact CE-CB 3.79Å; M57-D76 WeakPolarHBondContact CE-O 3.16Å; M57-P78 HydrophobicContact CG-CB 3.99Å; M57-P78 HydrophobicContact CG-CG 3.82Å; M57-L96 HydrophobicContact CB-CD2 4Å
58I98.7Very high95.9Very high7 Ų737.6 Ų37.64%0.03620%0.201CC..Hα-helixtrans-60.8-45.6178.2-72.3166.1000110.8M54 E55 R62 R95 L96 E99M54-I58 HydrophobicContact CE-CD1 4.24Å; M54-I58 WeakPolarHBondContact O-CB 3.44Å; M54-I58 WeakPolarHBondContact O-CD1 3.48Å; M54-I58 WeakPolarHBondContact O-CG1 3.41Å; M54-I58 PolarHBondContact O-N 2.98Å; E55-I58 PolarHBondContact O-N 3.48Å; I58-R62 WeakPolarHBondContact O-CB 3.38Å; I58-R62 PolarHBondContact O-N 3.31Å; I58-R95 HydrophobicContact CD1-CB 4.08Å; I58-R95 VanDerWaalsContact CD1-NH2 3.3Å; I58-L96 HydrophobicContact CG1-CD2 3.87Å; I58-E99 HydrophobicContact CD1-CB 4.48Å; I58-E99 HydrophobicContact CG2-CB 3.69Å
59H98.4Very high96.5Very high109 Ų10944 Ų4451%0.50523%0.23SC..Hα-helixtrans-59.1-50.5-179.9177-82.4000111.9E55 D56 M57 R62 A63E55-H59 WeakPolarHBondContact O-CB 3.39Å; E55-H59 PolarHBondContact O-N 3.43Å; D56-H59 PolarHBondContact O-N 2.7Å; M57-H59 PolarHBondContact O-N 2.96Å; H59-R62 PolarHBondContact O-N 3.41Å; H59-A63 PolarHBondContact O-N 3.02Å
60H98.5Very high97Very high17 Ų1750.2 Ų50.28%0.07926%0.263CS..Hα-helixtrans-73.2-38.8-176.4-7056.3000111.5Y17 V35 L39 D56 M57 R62 A63 V64Y17-H60 PolarHBondContact O-CD2 3.37Å; V35-H60 HydrophobicContact CG1-CB 3.89Å; L39-H60 HydrophobicContact CD2-CB 3.93Å; D56-H60 PolarHBondContact O-N 3.23Å; D56-H60 VanDerWaalsContact O-N 3.08Å; D56-H60 PolarHBondContact O-ND1 3.03Å; M57-H60 PolarHBondContact O-N 2.68Å; H60-R62 VanDerWaalsContact C-N 3.33Å; H60-R62 PolarHBondContact O-N 2.9Å; H60-A63 PolarHBondContact O-N 2.87Å; H60-V64 WeakPolarHBondContact O-CG2 3.4Å; H60-V64 PolarHBondContact O-N 3.21Å
61S98.6Very high97.4Very high0 Ų048.8 Ų48.80%026%0.257CS..Hα-helixtrans-55.5-48.1172.8-174.70000111.3M57 A63 V64 A65 T75 G100M57-S61 WeakPolarHBondContact O-CB 3.39Å; M57-S61 PolarHBondContact O-N 3.18Å; S61-A63 VanDerWaalsContact C-N 3.35Å; S61-A63 PolarHBondContact O-N 3.01Å; S61-V64 PolarHBondContact O-N 3.48Å; S61-A65 VanDerWaalsContact O-CB 3.25Å; S61-A65 WeakPolarHBondContact O-CB 3.34Å; S61-A65 PolarHBondContact O-N 3.26Å; S61-T75 WeakPolarHBondContact CB-OG1 3.37Å; S61-T75 PolarHBondContact OG-OG1 2.89Å; S61-G100 CarbonylContact C-O 3.55Å; S61-G100 WeakPolarHBondContact CB-O 3.46Å; S61-G100 PolarHBondContact OG-O 2.61Å
62R98.5Very high97.7Very high112 Ų11248.1 Ų48.142%0.42325%0.248SC..Hα-helixtrans-62.6-41.6178.6179.5171.664.9-163.9-2112I58 H59 H60 N66 G100I58-R62 WeakPolarHBondContact O-CB 3.38Å; I58-R62 PolarHBondContact O-N 3.31Å; H59-R62 PolarHBondContact O-N 3.41Å; H60-R62 VanDerWaalsContact C-N 3.33Å; H60-R62 PolarHBondContact O-N 2.9Å; R62-N66 WeakPolarHBondContact O-CB 3.45Å; R62-N66 PolarHBondContact O-N 2.98Å; R62-N66 VanDerWaalsContact O-N 3.08Å; R62-N66 PolarHBondContact O-ND2 3.32Å; R62-G100 WeakPolarHBondContact CA-O 3.27Å; R62-G100 PolarHBondContact N-O 3.14Å; R62-G100 VanDerWaalsContact N-O 3.13Å
63A98.4Very high97.9Very high23 Ų2348.2 Ų48.219%0.1925%0.249CC..Hα-helixtrans-61.4-45.1177.700000111.7Y19 H59 H60 S61Y19-A63 VanDerWaalsContact CA-O 3.28Å; Y19-A63 WeakPolarHBondContact CA-O 3.34Å; H59-A63 PolarHBondContact O-N 3.02Å; H60-A63 PolarHBondContact O-N 2.87Å; S61-A63 VanDerWaalsContact C-N 3.35Å; S61-A63 PolarHBondContact O-N 3.01Å
64V98.7Very high97.9Very high0 Ų045.1 Ų45.10%023%0.23CC..Hα-helixtrans-67.8-46.3178.7170.90000111.7A16 A22 L33 V35 H60 S61 N66 G67 A68 V73A16-V64 VanDerWaalsContact C-CG2 3.45Å; A16-V64 HydrophobicContact CB-CG1 3.96Å; A16-V64 HydrophobicContact CB-CG2 3.89Å; A16-V64 WeakPolarHBondContact O-CG2 3.46Å; A22-V64 HydrophobicContact CB-CB 4.25Å; A22-V64 HydrophobicContact CB-CG1 3.9Å; A22-V64 HydrophobicContact CB-CG2 4.42Å; A22-V64 WeakPolarHBondContact CB-O 3.45Å; L33-V64 HydrophobicContact CB-CG1 4.09Å; L33-V64 HydrophobicContact CD1-CG1 3.95Å; V35-V64 HydrophobicContact CG2-CB 3.77Å; V35-V64 HydrophobicContact CG2-CG1 3.84Å; V35-V64 HydrophobicContact CG2-CG2 3.78Å; H60-V64 WeakPolarHBondContact O-CG2 3.4Å; H60-V64 PolarHBondContact O-N 3.21Å; S61-V64 PolarHBondContact O-N 3.48Å; V64-N66 PolarHBondContact O-N 3.13Å; V64-G67 WeakPolarHBondContact O-CA 3.38Å; V64-G67 PolarHBondContact O-N 2.86Å; V64-A68 PolarHBondContact O-N 3.19Å; V64-V73 HydrophobicContact CG1-CG1 4.03Å; V64-V73 HydrophobicContact CG1-CG2 4.24Å
65A98.3Very high98Very high18 Ų1844 Ų4415%0.14922%0.224CC..Hα-helixtrans-59.3-34.7178.300000112.6S61 G67 H101S61-A65 VanDerWaalsContact O-CB 3.25Å; S61-A65 WeakPolarHBondContact O-CB 3.34Å; S61-A65 PolarHBondContact O-N 3.26Å; A65-G67 PolarHBondContact O-N 3.11Å; A65-H101 HydrophobicContact CB-CB 3.62Å; A65-H101 WeakPolarHBondContact CB-O 3.48Å
66N97.9Very high98Very high105 Ų10539.2 Ų39.256%0.56120%0.202SC*.Hα-helixtrans-67.7-24.6173.8-72.6-24000113.4Y19 R62 V64Y19-N66 HydrophobicContact CD2-CB 3.98Å; Y19-N66 HydrophobicContact CE2-CB 4.46Å; Y19-N66 WeakPolarHBondContact CE2-O 3.46Å; R62-N66 WeakPolarHBondContact O-CB 3.45Å; R62-N66 PolarHBondContact O-N 2.98Å; R62-N66 VanDerWaalsContact O-N 3.08Å; R62-N66 PolarHBondContact O-ND2 3.32Å; V64-N66 PolarHBondContact O-N 3.13Å
67G96.8Very high98Very high4 Ų437.8 Ų37.84%0.04119%0.194CC..Hα-helixtrans-89.3-26.6179.500000113.9K23 V64 A65K23-G67 VanDerWaalsContact CA-O 3.32Å; K23-G67 WeakPolarHBondContact CA-O 3.47Å; V64-G67 WeakPolarHBondContact O-CA 3.38Å; V64-G67 PolarHBondContact O-N 2.86Å; A65-G67 PolarHBondContact O-N 3.11Å
68A97.1Very high97.9Very high17 Ų1737.9 Ų37.914%0.1420%0.195CC..  trans-89.9126.7-17800000111.9L33 V64 A71 V73L33-A68 HydrophobicContact CD1-CB 3.98Å; V64-A68 PolarHBondContact O-N 3.19Å; A68-A71 HydrophobicContact CB-CB 4.48Å; A68-V73 HydrophobicContact CB-CG2 3.56Å
69Q95.2Very high97.6Very high171 Ų17141.1 Ų41.180%0.79921%0.209SC*.SBendtrans-109.3-31.7175.7-66.1-173.5-3.200112.1D26D26-Q69 VanDerWaalsContact CG-N 3.31Å; D26-Q69 PolarHBondContact OD1-N 3.46Å; D26-Q69 PolarHBondContact OD2-N 2.69Å
70N96.2Very high97.4Very high136 Ų13640.3 Ų40.373%0.72721%0.206SC*.SBendtrans-118.4-34.3-173.4-57.3-75.5000112.3D26D26-N70 PolarHBondContact OD1-N 2.86Å; D26-N70 PolarHBondContact OD2-N 3.21Å; D26-N70 PolarHBondContact OD2-ND2 3.45Å
71A97.1Very high97.2Very high11 Ų1139.8 Ų39.89%0.09121%0.205CC..SBendtrans-71.7140-177.700000111.7D26 I30 N31 L33 A68 V73D26-A71 WeakPolarHBondContact OD1-CB 3.35Å; D26-A71 PolarHBondContact OD1-N 3.37Å; I30-A71 WeakPolarHBondContact O-CB 3.24Å; N31-A71 WeakPolarHBondContact O-CA 3.31Å; L33-A71 HydrophobicContact CD1-CB 4.36Å; L33-A71 HydrophobicContact CG-CB 3.93Å; A68-A71 HydrophobicContact CB-CB 4.48Å; A71-V73 PolarHBondContact O-N 3.35Å
72L98Very high97.1Very high52 Ų5240 Ų4027%0.27221%0.206SC..EExtended strand (participates in β ladder)trans-70.4114.6172178.973.3000109.9M1 N31 S32 L33 V74 A103 F170M1-L72 HydrophobicContact CE-CD2 4.06Å; M1-L72 HydrophobicContact SD-CD2 3.97Å; N31-L72 PolarHBondContact O-N 3.11Å; S32-L72 CarbonylContact C-O 3.37Å; S32-L72 WeakPolarHBondContact CA-O 3.49Å; S32-L72 WeakPolarHBondContact CB-O 3.31Å; S32-L72 PolarHBondContact OG-O 3.21Å; L33-L72 PolarHBondContact N-O 2.96Å; L72-V74 HydrophobicContact CD2-CG2 3.97Å; L72-V74 HydrophobicContact CG-CG2 4.04Å; L72-A103 HydrophobicContact CD1-CB 3.55Å; L72-F170 HydrophobicContact CD2-CE2 3.95Å; L72-F170 HydrophobicContact CD2-CZ 4.02Å
73V98.6Very high96.8Very high9 Ų937.8 Ų37.86%0.05520%0.2CC..EExtended strand (participates in β ladder)trans-86.3117.6174.6-177.10000110.1L33 V35 V64 A68 A71 A103 A104L33-V73 WeakPolarHBondContact O-CA 3.34Å; V35-V73 HydrophobicContact CG2-CG1 4.33Å; V64-V73 HydrophobicContact CG1-CG1 4.03Å; V64-V73 HydrophobicContact CG1-CG2 4.24Å; A68-V73 HydrophobicContact CB-CG2 3.56Å; A71-V73 PolarHBondContact O-N 3.35Å; V73-A103 PolarHBondContact O-N 3.22Å; V73-A104 PolarHBondContact O-N 3.27Å
74V98.7Very high96.3Very high0 Ų042.3 Ų42.30%022%0.22CC..EExtended strand (participates in β ladder)trans-113.1136.1175.7-171.70000108.1L33 L34 V35 L72 A104 K106 M128L33-V74 PolarHBondContact O-N 3.09Å; L34-V74 CarbonylContact C-O 3.58Å; L34-V74 WeakPolarHBondContact CA-O 3.41Å; L34-V74 HydrophobicContact CD1-CB 4.21Å; L34-V74 HydrophobicContact CD1-CG1 4.25Å; V35-V74 PolarHBondContact N-O 3.49Å; L72-V74 HydrophobicContact CD2-CG2 3.97Å; L72-V74 HydrophobicContact CG-CG2 4.04Å; V74-A104 WeakPolarHBondContact CA-O 3.34Å; V74-A104 HydrophobicContact CG1-CB 4.33Å; V74-A104 HydrophobicContact CG2-CB 4.26Å; V74-K106 HydrophobicContact CG1-CB 3.86Å; V74-M128 HydrophobicContact CG1-CB 4.27Å; V74-M128 HydrophobicContact CG1-SD 4.29Å; V74-M128 HydrophobicContact CG2-CE 4.13Å
75T98.7Very high96.1Very high0 Ų044.3 Ų44.30%023%0.233CC..EExtended strand (participates in β ladder)trans-126.1136.2-178.9-58.70000111.4V35 M57 S61 L96 A102 A104 V105 K106V35-T75 HydrophobicContact CB-CG2 4.07Å; V35-T75 HydrophobicContact CG1-CG2 4.35Å; V35-T75 WeakPolarHBondContact O-CA 3.44Å; M57-T75 HydrophobicContact CB-CG2 4.35Å; M57-T75 HydrophobicContact CE-CG2 3.63Å; S61-T75 WeakPolarHBondContact CB-OG1 3.37Å; S61-T75 PolarHBondContact OG-OG1 2.89Å; T75-L96 HydrophobicContact CG2-CD1 4.03Å; T75-L96 HydrophobicContact CG2-CD2 3.77Å; T75-L96 HydrophobicContact CG2-CG 4.42Å; T75-A102 WeakPolarHBondContact OG1-CB 3.44Å; T75-A104 PolarHBondContact N-O 3.39Å; T75-A104 VanDerWaalsContact N-O 3.09Å; T75-V105 CarbonylContact O-C 3.6Å; T75-V105 VanDerWaalsContact O-CA 3.27Å; T75-V105 WeakPolarHBondContact O-CA 3.18Å; T75-K106 PolarHBondContact O-N 2.93Å
76D98.1Very high96.1Very high3 Ų346.1 Ų46.12%0.01624%0.24CC..EExtended strand (participates in β ladder)trans-68.1138177-75.7-7.8000112.2V35 G36 D37 M57 L96 K106V35-D76 PolarHBondContact O-N 3.44Å; G36-D76 VanDerWaalsContact CA-OD2 3.31Å; G36-D76 WeakPolarHBondContact CA-OD2 3.36Å; D37-D76 PolarHBondContact N-OD2 3.33Å; M57-D76 HydrophobicContact CE-CB 3.79Å; M57-D76 WeakPolarHBondContact CE-O 3.16Å; D76-L96 WeakPolarHBondContact O-CD1 3.4Å; D76-K106 WeakPolarHBondContact CA-O 3.3Å; D76-K106 WeakPolarHBondContact OD1-CB 3.33Å; D76-K106 WeakPolarHBondContact OD1-CE 3.27Å; D76-K106 WeakPolarHBondContact OD1-CG 3.42Å; D76-K106 IonicContact OD1-NZ 3.46Å; D76-K106 PolarHBondContact OD1-NZ 3.29Å; D76-K106 IonicContact OD2-NZ 3.15Å; D76-K106 PolarHBondContact OD2-NZ 2.93Å
77L98.1Very high96.1Very high0 Ų045.6 Ų45.60%024%0.242CC..PPolyproline II helixtrans-76.4118.8158-78.9168.6000107.6M54 Y82 N92 A93 L96 V105 K106 L107 I120 Q136M54-L77 HydrophobicContact SD-CD2 4.39Å; L77-Y82 HydrophobicContact CB-CD1 3.61Å; L77-Y82 HydrophobicContact CB-CE1 3.9Å; L77-Y82 HydrophobicContact CD1-CD1 4.34Å; L77-Y82 WeakPolarHBondContact O-CE1 3.29Å; L77-N92 HydrophobicContact CD2-CB 4.01Å; L77-A93 HydrophobicContact CD1-CB 4.39Å; L77-L96 HydrophobicContact CD2-CD1 3.69Å; L77-L96 HydrophobicContact CG-CD1 4.03Å; L77-V105 HydrophobicContact CD1-CB 4.42Å; L77-V105 HydrophobicContact CD1-CG2 4.26Å; L77-V105 HydrophobicContact CG-CB 4.38Å; L77-K106 PolarHBondContact N-O 3.21Å; L77-L107 HydrophobicContact CB-CB 4.43Å; L77-L107 HydrophobicContact CD1-CB 4.15Å; L77-L107 HydrophobicContact CD1-CD2 4.19Å; L77-I120 HydrophobicContact CD1-CD1 4.14Å; L77-Q136 PolarHBondContact O-NE2 3.17Å
78P96.9Very high96Very high1 Ų148.6 Ų48.61%0.00626%0.258CS..PPolyproline II helixtrans-71.8167-177.829.7-32.7000111.2V52 M54 M57 S81V52-P78 HydrophobicContact CG1-CB 4.29Å; V52-P78 WeakPolarHBondContact O-CB 3.34Å; M54-P78 HydrophobicContact CG-CG 4.05Å; M54-P78 WeakPolarHBondContact SD-CD 3.28Å; M54-P78 HydrophobicContact SD-CG 3.61Å; M57-P78 HydrophobicContact CG-CB 3.99Å; M57-P78 HydrophobicContact CG-CG 3.82Å; P78-S81 WeakPolarHBondContact CD-OG 3.26Å; P78-S81 VanDerWaalsContact O-CB 3.31Å; P78-S81 WeakPolarHBondContact O-CB 3.07Å; P78-S81 PolarHBondContact O-N 3Å; P78-S81 VanDerWaalsContact O-N 3.14Å; P78-S81 PolarHBondContact O-OG 2.99Å
79F93.7Very high96.1Very high75 Ų7547.8 Ų47.833%0.32925%0.251SS..THydrogen-bonded Turntrans-50.8145.7177.9-178.2-116.5000111.9L50 S81 H83 Q136L50-F79 HydrophobicContact CB-CD1 4.45Å; L50-F79 HydrophobicContact CD2-CB 4.15Å; L50-F79 HydrophobicContact CD2-CD1 3.96Å; L50-F79 HydrophobicContact CD2-CD2 4.15Å; L50-F79 HydrophobicContact CD2-CE1 4.4Å; L50-F79 HydrophobicContact CD2-CG 3.82Å; F79-S81 PolarHBondContact O-N 3.18Å; F79-H83 AromaticContact CD2-CE1 3.93Å; F79-Q136 HydrophobicContact CB-CB 4.49Å; F79-Q136 HydrophobicContact CB-CG 4.34Å; F79-Q136 HydrophobicContact CD2-CB 4.16Å
80M93.1Very high96.2Very high92 Ų9241.5 Ų41.545%0.45322%0.224SC..THydrogen-bonded Turntrans62.4-6.5-174.8-68.1-67-70.200117.5Y82 H83 I84M80-Y82 VanDerWaalsContact C-N 3.33Å; M80-Y82 PolarHBondContact O-N 3.47Å; M80-H83 PolarHBondContact N-ND1 2.84Å; M80-H83 HydrophobicContact SD-CB 4.17Å; M80-I84 HydrophobicContact CE-CD1 4.05Å; M80-I84 HydrophobicContact CE-CG1 3.79Å
81S95.1Very high96.3Very high7 Ų737.6 Ų37.65%0.04921%0.211CC..THydrogen-bonded Turntrans-75.3-17.2179.9690000114.8M54 P78 F79 N92M54-S81 VanDerWaalsContact SD-CB 3.57Å; P78-S81 WeakPolarHBondContact CD-OG 3.26Å; P78-S81 VanDerWaalsContact O-CB 3.31Å; P78-S81 WeakPolarHBondContact O-CB 3.07Å; P78-S81 PolarHBondContact O-N 3Å; P78-S81 VanDerWaalsContact O-N 3.14Å; P78-S81 PolarHBondContact O-OG 2.99Å; F79-S81 PolarHBondContact O-N 3.18Å; S81-N92 PolarHBondContact O-ND2 2.88Å
82Y95.2Very high96.4Very high4 Ų438.5 Ų38.52%0.01621%0.214CC..THydrogen-bonded Turntrans-1338.9-179.960.6-82.5000113.9L77 M80 L107 E108 F113 Q136L77-Y82 HydrophobicContact CB-CD1 3.61Å; L77-Y82 HydrophobicContact CB-CE1 3.9Å; L77-Y82 HydrophobicContact CD1-CD1 4.34Å; L77-Y82 WeakPolarHBondContact O-CE1 3.29Å; M80-Y82 VanDerWaalsContact C-N 3.33Å; M80-Y82 PolarHBondContact O-N 3.47Å; Y82-L107 HydrophobicContact CD2-CB 4.4Å; Y82-L107 HydrophobicContact CE1-CB 4.32Å; Y82-L107 HydrophobicContact CE2-CB 4.13Å; Y82-L107 HydrophobicContact CE2-CD1 4.31Å; Y82-E108 PolarHBondContact OH-N 2.91Å; Y82-F113 AromaticContact CD2-CD1 3.9Å; Y82-F113 HydrophobicContact CD2-CD1 3.9Å; Y82-F113 AromaticContact CD2-CE1 3.76Å; Y82-F113 HydrophobicContact CD2-CE1 3.76Å; Y82-F113 HydrophobicContact CD2-CZ 4.49Å; Y82-F113 HydrophobicContact CE2-CD1 4.06Å; Y82-F113 AromaticContact CE2-CE1 3.8Å; Y82-F113 HydrophobicContact CE2-CE1 3.8Å; Y82-F113 HydrophobicContact CE2-CZ 4.09Å; Y82-Q136 PolarHBondContact OH-OE1 3.33Å
83H92.3Very high96.4Very high66 Ų6636 Ų3631%0.30620%0.201SC..THydrogen-bonded Turntrans-94.9-24.4-174.4-63.178000113.1F79 M80 F113F79-H83 AromaticContact CD2-CE1 3.93Å; M80-H83 PolarHBondContact N-ND1 2.84Å; M80-H83 HydrophobicContact SD-CB 4.17Å; H83-F113 AromaticContact CD2-CZ 3.79Å; H83-F113 AromaticContact NE2-CZ 3.97Å
84I89.1Confident96.4Very high118 Ų11836.9 Ų36.961%0.60521%0.211SC*.SBendtrans-76.9-51.1-173.9-62.3170.3000110.9M80M80-I84 HydrophobicContact CE-CD1 4.05Å; M80-I84 HydrophobicContact CE-CG1 3.79Å
85S94.7Very high96.4Very high41 Ų4140 Ų4029%0.28722%0.223SC..  trans-157.8156.1-178.779.50000111.8D88 A89S85-D88 PolarHBondContact O-N 3.28Å; S85-D88 WeakPolarHBondContact OG-CB 3.49Å; S85-D88 PolarHBondContact OG-N 3.11Å; S85-D88 PolarHBondContact OG-OD2 2.89Å; S85-A89 PolarHBondContact O-N 2.91Å
86I97.1Very high96.4Very high57 Ų5740 Ų4029%0.29222%0.223SC..Hα-helixtrans-60-44.9174.7-66.6173.3000111.8D88 A89 V90 E115 A119I86-D88 VanDerWaalsContact C-N 3.33Å; I86-D88 PolarHBondContact O-N 2.92Å; I86-A89 WeakPolarHBondContact O-CB 3.43Å; I86-A89 PolarHBondContact O-N 2.89Å; I86-V90 HydrophobicContact CG2-CG2 4.45Å; I86-V90 WeakPolarHBondContact O-CG2 3.24Å; I86-V90 PolarHBondContact O-N 3.49Å; I86-E115 HydrophobicContact CD1-CB 3.83Å; I86-A119 HydrophobicContact CG2-CB 3.26Å
87P97.5Very high96.4Very high93 Ų9342.4 Ų42.460%0.60424%0.236SC*.Hα-helixtrans-57.1-42.3174.5-2836.5000113.8V90 A91P87-V90 PolarHBondContact O-N 3Å; P87-A91 WeakPolarHBondContact O-CB 3.41Å; P87-A91 PolarHBondContact O-N 2.99Å
88D96.2Very high96.4Very high68 Ų6850.6 Ų50.636%0.36427%0.271SS..Hα-helixtrans-66-40.5178.1-64.7-35.7000111.4S85 I86 V90 A91 N92S85-D88 PolarHBondContact O-N 3.28Å; S85-D88 WeakPolarHBondContact OG-CB 3.49Å; S85-D88 PolarHBondContact OG-N 3.11Å; S85-D88 PolarHBondContact OG-OD2 2.89Å; I86-D88 VanDerWaalsContact C-N 3.33Å; I86-D88 PolarHBondContact O-N 2.92Å; D88-V90 PolarHBondContact O-N 2.82Å; D88-A91 PolarHBondContact O-N 2.8Å; D88-N92 WeakPolarHBondContact O-CB 3.34Å; D88-N92 PolarHBondContact O-N 3.01Å; D88-N92 PolarHBondContact O-ND2 3Å
89A97.8Very high96.5Very high0 Ų053.9 Ų53.90%029%0.286CS..Hα-helixtrans-59.5-45.9175.400000111.9S85 I86 A93 T116 I120S85-A89 PolarHBondContact O-N 2.91Å; I86-A89 WeakPolarHBondContact O-CB 3.43Å; I86-A89 PolarHBondContact O-N 2.89Å; A89-A93 VanDerWaalsContact O-CB 3.29Å; A89-A93 WeakPolarHBondContact O-CB 3.48Å; A89-A93 PolarHBondContact O-N 3.38Å; A89-T116 HydrophobicContact CB-CG2 3.48Å; A89-T116 VanDerWaalsContact CB-CG2 3.48Å; A89-I120 HydrophobicContact CB-CD1 4.35Å
90V98.4Very high96.7Very high38 Ų3850.3 Ų50.323%0.2327%0.271CS..Hα-helixtrans-65.1-42.2176.9175.70000111.1I86 P87 D88 G94 A119 I120 A123I86-V90 HydrophobicContact CG2-CG2 4.45Å; I86-V90 WeakPolarHBondContact O-CG2 3.24Å; I86-V90 PolarHBondContact O-N 3.49Å; P87-V90 PolarHBondContact O-N 3Å; D88-V90 PolarHBondContact O-N 2.82Å; V90-G94 PolarHBondContact O-N 2.83Å; V90-A119 HydrophobicContact CG2-CB 3.78Å; V90-I120 HydrophobicContact CG2-CG1 4.07Å; V90-A123 HydrophobicContact CG1-CB 3.8Å
91A98.3Very high96.9Very high55 Ų5551 Ų5146%0.45527%0.272SS..Hα-helixtrans-61.8-49.9177.400000111.3P87 D88 A93 G94 R95P87-A91 WeakPolarHBondContact O-CB 3.41Å; P87-A91 PolarHBondContact O-N 2.99Å; D88-A91 PolarHBondContact O-N 2.8Å; A91-A93 PolarHBondContact O-N 2.94Å; A91-G94 CarbonylContact O-C 3.56Å; A91-G94 WeakPolarHBondContact O-CA 3.39Å; A91-G94 PolarHBondContact O-N 2.72Å; A91-G94 VanDerWaalsContact O-N 3.12Å; A91-R95 WeakPolarHBondContact O-CG 3.5Å; A91-R95 PolarHBondContact O-N 3.25Å
92N98.5Very high97Very high30 Ų3050.9 Ų50.916%0.1627%0.272CS..Hα-helixtrans-65-39.7179.6-75.2-34.3000112.3M54 L77 S81 D88 G94 R95 L96M54-N92 HydrophobicContact CE-CB 3.76Å; M54-N92 WeakPolarHBondContact CE-O 3.44Å; M54-N92 HydrophobicContact SD-CB 3.95Å; L77-N92 HydrophobicContact CD2-CB 4.01Å; S81-N92 PolarHBondContact O-ND2 2.88Å; D88-N92 WeakPolarHBondContact O-CB 3.34Å; D88-N92 PolarHBondContact O-N 3.01Å; D88-N92 PolarHBondContact O-ND2 3Å; N92-G94 VanDerWaalsContact C-N 3.31Å; N92-G94 PolarHBondContact O-N 3.3Å; N92-R95 WeakPolarHBondContact O-CB 3.36Å; N92-R95 PolarHBondContact O-N 2.67Å; N92-L96 PolarHBondContact O-N 3.49Å; N92-L96 VanDerWaalsContact O-N 3.12Å
93A98.6Very high97.2Very high0 Ų053.1 Ų53.10%029%0.291CS..Hα-helixtrans-58.9-4517100000111.1L77 A89 A91 R95 L96 I97 V105 I120 I125L77-A93 HydrophobicContact CD1-CB 4.39Å; A89-A93 VanDerWaalsContact O-CB 3.29Å; A89-A93 WeakPolarHBondContact O-CB 3.48Å; A89-A93 PolarHBondContact O-N 3.38Å; A91-A93 PolarHBondContact O-N 2.94Å; A93-R95 VanDerWaalsContact C-N 3.29Å; A93-R95 PolarHBondContact O-N 3.16Å; A93-L96 PolarHBondContact O-N 3.28Å; A93-I97 WeakPolarHBondContact O-CG1 3.2Å; A93-I97 PolarHBondContact O-N 3.03Å; A93-V105 HydrophobicContact CB-CG1 4.18Å; A93-V105 HydrophobicContact CB-CG2 4.19Å; A93-I120 HydrophobicContact CB-CD1 4.21Å; A93-I120 HydrophobicContact CB-CG1 4.17Å; A93-I120 HydrophobicContact CB-CG2 3.78Å; A93-I125 HydrophobicContact CB-CD1 3.96Å; A93-I125 HydrophobicContact CB-CG2 4.39Å
94G98.5Very high97.5Very high26 Ų2650 Ų5027%0.26828%0.277SS..Hα-helixtrans-59.7-36.9175.700000113.4V90 A91 N92 I97 K98V90-G94 PolarHBondContact O-N 2.83Å; A91-G94 CarbonylContact O-C 3.56Å; A91-G94 WeakPolarHBondContact O-CA 3.39Å; A91-G94 PolarHBondContact O-N 2.72Å; A91-G94 VanDerWaalsContact O-N 3.12Å; N92-G94 VanDerWaalsContact C-N 3.31Å; N92-G94 PolarHBondContact O-N 3.3Å; G94-I97 PolarHBondContact O-N 3.44Å; G94-K98 WeakPolarHBondContact O-CB 3.41Å; G94-K98 PolarHBondContact O-N 3.49Å
95R98.6Very high97.9Very high67 Ų6744.4 Ų44.425%0.25325%0.248SC..Hα-helixtrans-64.6-42.8174.7-65.2-173.467.9-152.5-5.7112.1M54 E55 I58 A91 N92 A93 I97 K98 E99 G100M54-R95 HydrophobicContact CE-CB 4.28Å; E55-R95 IonicContact OE1-CZ 2.98Å; E55-R95 VanDerWaalsContact OE1-CZ 3.27Å; E55-R95 IonicContact OE1-NH1 2.84Å; E55-R95 PolarHBondContact OE1-NH1 3.23Å; E55-R95 IonicContact OE1-NH2 2.72Å; E55-R95 PolarHBondContact OE1-NH2 2.68Å; E55-R95 IonicContact OE2-NH2 3.81Å; E55-R95 PolarHBondContact OE2-NH2 2.85Å; I58-R95 HydrophobicContact CD1-CB 4.08Å; I58-R95 VanDerWaalsContact CD1-NH2 3.3Å; A91-R95 WeakPolarHBondContact O-CG 3.5Å; A91-R95 PolarHBondContact O-N 3.25Å; N92-R95 WeakPolarHBondContact O-CB 3.36Å; N92-R95 PolarHBondContact O-N 2.67Å; A93-R95 VanDerWaalsContact C-N 3.29Å; A93-R95 PolarHBondContact O-N 3.16Å; R95-I97 VanDerWaalsContact C-N 3.29Å; R95-I97 PolarHBondContact O-N 3.45Å; R95-K98 PolarHBondContact O-N 3.4Å; R95-E99 WeakPolarHBondContact CB-OE1 3.5Å; R95-E99 VanDerWaalsContact CG-OE1 3.29Å; R95-E99 WeakPolarHBondContact CG-OE1 3.34Å; R95-E99 IonicContact CZ-OE1 2.8Å; R95-E99 IonicContact CZ-OE2 2.71Å; R95-E99 IonicContact NE-OE1 2.88Å; R95-E99 PolarHBondContact NE-OE1 2.9Å; R95-E99 IonicContact NE-OE2 3.31Å; R95-E99 IonicContact NH2-OE1 3.68Å; R95-E99 IonicContact NH2-OE2 3.75Å; R95-E99 PolarHBondContact NH2-OE2 3.08Å; R95-E99 WeakPolarHBondContact O-CA 3.5Å; R95-E99 VanDerWaalsContact O-CB 3.29Å; R95-E99 WeakPolarHBondContact O-CB 3.31Å; R95-E99 PolarHBondContact O-N 3.25Å; R95-G100 PolarHBondContact O-N 3.04Å
96L98.5Very high98.1Very high0 Ų042.8 Ų42.80%024%0.236CC..Hα-helixtrans-61.9-37.1176.2-70.2178.8000112.6M54 M57 I58 T75 D76 L77 N92 A93 G100 H101 A102 V105M54-L96 HydrophobicContact CE-CD2 4.17Å; M54-L96 HydrophobicContact CE-CG 4.03Å; M57-L96 HydrophobicContact CB-CD2 4Å; I58-L96 HydrophobicContact CG1-CD2 3.87Å; T75-L96 HydrophobicContact CG2-CD1 4.03Å; T75-L96 HydrophobicContact CG2-CD2 3.77Å; T75-L96 HydrophobicContact CG2-CG 4.42Å; D76-L96 WeakPolarHBondContact O-CD1 3.4Å; L77-L96 HydrophobicContact CD2-CD1 3.69Å; L77-L96 HydrophobicContact CG-CD1 4.03Å; N92-L96 PolarHBondContact O-N 3.49Å; N92-L96 VanDerWaalsContact O-N 3.12Å; A93-L96 PolarHBondContact O-N 3.28Å; L96-G100 CarbonylContact O-C 3.53Å; L96-G100 WeakPolarHBondContact O-CA 3.36Å; L96-G100 PolarHBondContact O-N 3.34Å; L96-H101 PolarHBondContact O-N 3.21Å; L96-A102 PolarHBondContact O-N 3.01Å; L96-A102 VanDerWaalsContact O-N 3.15Å; L96-V105 HydrophobicContact CB-CG1 4.01Å; L96-V105 HydrophobicContact CD1-CG1 3.92Å
97I98.3Very high98.1Very high53 Ų5340.1 Ų40.127%0.27222%0.223SC..Hα-helixtrans-71.3-47.7174.9-56.1-56.9000111.1A93 G94 R95 H101 A102 V105 I125A93-I97 WeakPolarHBondContact O-CG1 3.2Å; A93-I97 PolarHBondContact O-N 3.03Å; G94-I97 PolarHBondContact O-N 3.44Å; R95-I97 VanDerWaalsContact C-N 3.29Å; R95-I97 PolarHBondContact O-N 3.45Å; I97-H101 VanDerWaalsContact O-CA 3.31Å; I97-H101 WeakPolarHBondContact O-CA 3.29Å; I97-H101 PolarHBondContact O-N 2.92Å; I97-A102 HydrophobicContact CD1-CB 4.29Å; I97-A102 WeakPolarHBondContact CD1-O 3.43Å; I97-V105 HydrophobicContact CD1-CG1 4.25Å; I97-I125 HydrophobicContact CD1-CG2 3.94Å; I97-I125 HydrophobicContact CG1-CD1 4.29Å; I97-I125 HydrophobicContact CG1-CG1 4.18Å; I97-I125 HydrophobicContact CG1-CG2 3.74Å
98K97.7Very high97.9Very high172 Ų17235.9 Ų35.975%0.74820%0.195SC*.Hα-helixtrans-77.8-42.9-171.6-174.8-178.5175.7-173.60113.8G94 R95G94-K98 WeakPolarHBondContact O-CB 3.41Å; G94-K98 PolarHBondContact O-N 3.49Å; R95-K98 PolarHBondContact O-N 3.4Å
99E98.4Very high97.5Very high69 Ų6933.3 Ų33.332%0.32218%0.184SC..THydrogen-bonded Turntrans-101.5-38.4-174.3-57.9170.3-129.300111.2I58 R95 H101I58-E99 HydrophobicContact CD1-CB 4.48Å; I58-E99 HydrophobicContact CG2-CB 3.69Å; R95-E99 WeakPolarHBondContact CB-OE1 3.5Å; R95-E99 VanDerWaalsContact CG-OE1 3.29Å; R95-E99 WeakPolarHBondContact CG-OE1 3.34Å; R95-E99 IonicContact CZ-OE1 2.8Å; R95-E99 IonicContact CZ-OE2 2.71Å; R95-E99 IonicContact NE-OE1 2.88Å; R95-E99 PolarHBondContact NE-OE1 2.9Å; R95-E99 IonicContact NE-OE2 3.31Å; R95-E99 IonicContact NH2-OE1 3.68Å; R95-E99 IonicContact NH2-OE2 3.75Å; R95-E99 PolarHBondContact NH2-OE2 3.08Å; R95-E99 WeakPolarHBondContact O-CA 3.5Å; R95-E99 VanDerWaalsContact O-CB 3.29Å; R95-E99 WeakPolarHBondContact O-CB 3.31Å; R95-E99 PolarHBondContact O-N 3.25Å; E99-H101 PolarHBondContact O-CD2 2.99Å; E99-H101 VanDerWaalsContact O-CD2 3.29Å
100G98.1Very high97.3Very high0 Ų033.6 Ų33.60%019%0.187CC..THydrogen-bonded Turntrans-84.9-11.2178.200000114.1S61 R62 R95 L96 A102S61-G100 CarbonylContact C-O 3.55Å; S61-G100 WeakPolarHBondContact CB-O 3.46Å; S61-G100 PolarHBondContact OG-O 2.61Å; R62-G100 WeakPolarHBondContact CA-O 3.27Å; R62-G100 PolarHBondContact N-O 3.14Å; R62-G100 VanDerWaalsContact N-O 3.13Å; R95-G100 PolarHBondContact O-N 3.04Å; L96-G100 CarbonylContact O-C 3.53Å; L96-G100 WeakPolarHBondContact O-CA 3.36Å; L96-G100 PolarHBondContact O-N 3.34Å; G100-A102 PolarHBondContact O-N 2.76Å; G100-A102 VanDerWaalsContact O-N 3.1Å
101H98.2Very high97Very high106 Ų10637 Ų3749%0.49120%0.2SC..  trans55.223.3-178.1-56.9-85.5000114.6A65 L96 I97 E99A65-H101 HydrophobicContact CB-CB 3.62Å; A65-H101 WeakPolarHBondContact CB-O 3.48Å; L96-H101 PolarHBondContact O-N 3.21Å; I97-H101 VanDerWaalsContact O-CA 3.31Å; I97-H101 WeakPolarHBondContact O-CA 3.29Å; I97-H101 PolarHBondContact O-N 2.92Å; E99-H101 PolarHBondContact O-CD2 2.99Å; E99-H101 VanDerWaalsContact O-CD2 3.29Å
102A97.9Very high96.8Very high5 Ų538.8 Ų38.84%0.04122%0.215CC..  trans-66.1149.8172.100000110.1T75 L96 I97 G100T75-A102 WeakPolarHBondContact OG1-CB 3.44Å; L96-A102 PolarHBondContact O-N 3.01Å; L96-A102 VanDerWaalsContact O-N 3.15Å; I97-A102 HydrophobicContact CD1-CB 4.29Å; I97-A102 WeakPolarHBondContact CD1-O 3.43Å; G100-A102 PolarHBondContact O-N 2.76Å; G100-A102 VanDerWaalsContact O-N 3.1Å
103A97.9Very high96.6Very high51 Ų5139.4 Ų39.442%0.42122%0.217SC..SBendtrans-89.2-19.4173.500000112.1L72 V73L72-A103 HydrophobicContact CD1-CB 3.55Å; V73-A103 PolarHBondContact O-N 3.22Å
104A98.5Very high96.5Very high1 Ų140.7 Ų40.71%0.00823%0.226CC..EExtended strand (participates in β ladder)trans-153.5160.4178.400000110.7V73 V74 T75 P126 F170V73-A104 PolarHBondContact O-N 3.27Å; V74-A104 WeakPolarHBondContact CA-O 3.34Å; V74-A104 HydrophobicContact CG1-CB 4.33Å; V74-A104 HydrophobicContact CG2-CB 4.26Å; T75-A104 PolarHBondContact N-O 3.39Å; T75-A104 VanDerWaalsContact N-O 3.09Å; A104-P126 WeakPolarHBondContact CA-O 3.47Å; A104-P126 HydrophobicContact CB-CB 3.92Å; A104-P126 WeakPolarHBondContact CB-O 3.48Å; A104-F170 HydrophobicContact CB-CE1 3.65Å; A104-F170 HydrophobicContact CB-CZ 3.87Å
105V98.6Very high96.5Very high0 Ų046.1 Ų46.10%024%0.244CC..EExtended strand (participates in β ladder)trans-110.3150.2172.8-58.90000110.8T75 L77 A93 L96 I97 I120 I125 P126 V127 M128T75-V105 CarbonylContact O-C 3.6Å; T75-V105 VanDerWaalsContact O-CA 3.27Å; T75-V105 WeakPolarHBondContact O-CA 3.18Å; L77-V105 HydrophobicContact CD1-CB 4.42Å; L77-V105 HydrophobicContact CD1-CG2 4.26Å; L77-V105 HydrophobicContact CG-CB 4.38Å; A93-V105 HydrophobicContact CB-CG1 4.18Å; A93-V105 HydrophobicContact CB-CG2 4.19Å; L96-V105 HydrophobicContact CB-CG1 4.01Å; L96-V105 HydrophobicContact CD1-CG1 3.92Å; I97-V105 HydrophobicContact CD1-CG1 4.25Å; V105-I120 HydrophobicContact CG2-CG2 4.06Å; V105-I125 HydrophobicContact CG1-CG2 4.17Å; V105-I125 HydrophobicContact CG2-CG2 4.01Å; V105-P126 PolarHBondContact N-O 3.39Å; V105-V127 HydrophobicContact CG2-CG2 4.02Å; V105-V127 CarbonylContact O-C 3.56Å; V105-V127 WeakPolarHBondContact O-CA 3.43Å; V105-M128 PolarHBondContact O-N 2.85Å
106K98.4Very high96.4Very high7 Ų743.6 Ų43.63%0.0324%0.236CC..EExtended strand (participates in β ladder)trans-114.3137.7169.6172.6170.582.454.70110.1L34 V74 T75 D76 L77 M128 H130 V173L34-K106 HydrophobicContact CD1-CD 4.38Å; V74-K106 HydrophobicContact CG1-CB 3.86Å; T75-K106 PolarHBondContact O-N 2.93Å; D76-K106 WeakPolarHBondContact CA-O 3.3Å; D76-K106 WeakPolarHBondContact OD1-CB 3.33Å; D76-K106 WeakPolarHBondContact OD1-CE 3.27Å; D76-K106 WeakPolarHBondContact OD1-CG 3.42Å; D76-K106 IonicContact OD1-NZ 3.46Å; D76-K106 PolarHBondContact OD1-NZ 3.29Å; D76-K106 IonicContact OD2-NZ 3.15Å; D76-K106 PolarHBondContact OD2-NZ 2.93Å; L77-K106 PolarHBondContact N-O 3.21Å; K106-M128 VanDerWaalsContact CA-O 3.24Å; K106-M128 WeakPolarHBondContact CA-O 3.48Å; K106-M128 HydrophobicContact CB-CB 4.15Å; K106-M128 HydrophobicContact CD-CG 4.45Å; K106-M128 HydrophobicContact CD-SD 4.34Å; K106-H130 HydrophobicContact CD-CB 4.2Å; K106-H130 HydrophobicContact CG-CB 4.33Å; K106-V173 HydrophobicContact CD-CB 4.43Å; K106-V173 HydrophobicContact CD-CG2 3.76Å
107L97.1Very high96.4Very high1 Ų143.6 Ų43.61%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-137.5154.9174.268.488000111L77 Y82 F113 I117 I120 V127 M128 G129 H130L77-L107 HydrophobicContact CB-CB 4.43Å; L77-L107 HydrophobicContact CD1-CB 4.15Å; L77-L107 HydrophobicContact CD1-CD2 4.19Å; Y82-L107 HydrophobicContact CD2-CB 4.4Å; Y82-L107 HydrophobicContact CE1-CB 4.32Å; Y82-L107 HydrophobicContact CE2-CB 4.13Å; Y82-L107 HydrophobicContact CE2-CD1 4.31Å; L107-F113 HydrophobicContact CD1-CB 4.21Å; L107-I117 HydrophobicContact CD1-CD1 4.19Å; L107-I117 HydrophobicContact CD1-CG1 3.9Å; L107-I117 HydrophobicContact CD2-CG1 4.08Å; L107-I117 HydrophobicContact CG-CG1 4.36Å; L107-I120 HydrophobicContact CD2-CD1 3.72Å; L107-V127 HydrophobicContact CD2-CG1 3.95Å; L107-V127 HydrophobicContact CG-CG1 4.14Å; L107-M128 PolarHBondContact N-O 2.89Å; L107-G129 CarbonylContact O-C 3.59Å; L107-H130 PolarHBondContact O-N 3.12Å
108E94.2Very high96.4Very high5 Ų546.7 Ų46.72%0.02325%0.25CC..EExtended strand (participates in β ladder)trans-97.3146.1-175.1-45.2-158.2144.700112Y82 H130 T134 P135 Q136Y82-E108 PolarHBondContact OH-N 2.91Å; E108-H130 HydrophobicContact CB-CB 4.42Å; E108-H130 HydrophobicContact CG-CB 4.19Å; E108-H130 IonicContact OE1-CE1 2.76Å; E108-H130 PolarHBondContact OE1-CE1 3.36Å; E108-H130 IonicContact OE1-ND1 3.99Å; E108-H130 PolarHBondContact OE1-ND1 3.19Å; E108-T134 HydrophobicContact CB-CG2 3.82Å; E108-T134 VanDerWaalsContact OE2-CA 3.3Å; E108-T134 WeakPolarHBondContact OE2-CA 3.5Å; E108-T134 WeakPolarHBondContact OE2-CB 3.46Å; E108-P135 WeakPolarHBondContact OE1-CD 3.49Å; E108-Q136 HydrophobicContact CG-CG 4.39Å; E108-Q136 WeakPolarHBondContact OE2-CB 3.42Å; E108-Q136 WeakPolarHBondContact OE2-CG 3.45Å; E108-Q136 PolarHBondContact OE2-N 3.28Å
109G87.9Confident96.4Very high13 Ų1339.6 Ų39.613%0.13422%0.223CC..  trans113.9165.3173.300000114.2H130 I131 V164G109-H130 PolarHBondContact N-O 3.44Å; G109-I131 VanDerWaalsContact C-CD1 3.5Å; G109-I131 WeakPolarHBondContact O-CD1 3.45Å; G109-V164 WeakPolarHBondContact O-CG2 3.44Å
110G91.9Very high96.5Very high7 Ų736.3 Ų36.37%0.07221%0.208CC..SBendtrans-102.2-133.9-171.800000114.2A112 F113G110-A112 PolarHBondContact O-N 2.97Å; G110-F113 PolarHBondContact O-N 3.03Å
111E93.6Very high96.4Very high108 Ų10838 Ų3851%0.50522%0.218SC..G310 helixtrans-52.4-32.9-178.2-175.9176.1-15400113.4F113 S114 K156 D160 A163E111-F113 PolarHBondContact O-N 3.12Å; E111-F113 VanDerWaalsContact O-N 3.15Å; E111-S114 WeakPolarHBondContact O-CB 3.36Å; E111-S114 PolarHBondContact O-N 3.5Å; E111-S114 VanDerWaalsContact O-N 3.14Å; E111-S114 PolarHBondContact O-OG 2.93Å; E111-K156 IonicContact OE2-NZ 2.72Å; E111-K156 PolarHBondContact OE2-NZ 3.27Å; E111-D160 WeakPolarHBondContact CB-OD1 3.38Å; E111-D160 PolarHBondContact N-OD1 3.34Å; E111-A163 HydrophobicContact CB-CB 3.82Å; E111-A163 HydrophobicContact CG-CB 4.09Å
112A93.1Very high96.4Very high93 Ų9343.4 Ų43.477%0.76923%0.234SC*.G310 helixtrans-60.9-23.4179.100000114.1G110G110-A112 PolarHBondContact O-N 2.97Å
113F95.1Very high96.4Very high44 Ų4445.4 Ų45.419%0.19325%0.251CS..G310 helixtrans-109.312179.7-67.2-81.6000113Y82 H83 L107 G110 E111 E115 T116 I117Y82-F113 AromaticContact CD2-CD1 3.9Å; Y82-F113 HydrophobicContact CD2-CD1 3.9Å; Y82-F113 AromaticContact CD2-CE1 3.76Å; Y82-F113 HydrophobicContact CD2-CE1 3.76Å; Y82-F113 HydrophobicContact CD2-CZ 4.49Å; Y82-F113 HydrophobicContact CE2-CD1 4.06Å; Y82-F113 AromaticContact CE2-CE1 3.8Å; Y82-F113 HydrophobicContact CE2-CE1 3.8Å; Y82-F113 HydrophobicContact CE2-CZ 4.09Å; H83-F113 AromaticContact CD2-CZ 3.79Å; H83-F113 AromaticContact NE2-CZ 3.97Å; L107-F113 HydrophobicContact CD1-CB 4.21Å; G110-F113 PolarHBondContact O-N 3.03Å; E111-F113 PolarHBondContact O-N 3.12Å; E111-F113 VanDerWaalsContact O-N 3.15Å; F113-E115 VanDerWaalsContact C-N 3.31Å; F113-E115 PolarHBondContact O-N 3.2Å; F113-T116 WeakPolarHBondContact O-CB 3.2Å; F113-T116 PolarHBondContact O-N 2.91Å; F113-T116 VanDerWaalsContact O-N 3.09Å; F113-I117 WeakPolarHBondContact O-CG1 2.78Å; F113-I117 PolarHBondContact O-N 2.88Å
114S96.9Very high96.4Very high27 Ų2748.3 Ų48.319%0.18927%0.268CS..Hα-helixtrans-57.7-40180-72.60000113.1E111 T116 I117 Q118 A163 A167E111-S114 WeakPolarHBondContact O-CB 3.36Å; E111-S114 PolarHBondContact O-N 3.5Å; E111-S114 VanDerWaalsContact O-N 3.14Å; E111-S114 PolarHBondContact O-OG 2.93Å; S114-T116 VanDerWaalsContact C-N 3.35Å; S114-I117 PolarHBondContact O-N 2.9Å; S114-Q118 WeakPolarHBondContact O-CB 3.14Å; S114-Q118 PolarHBondContact O-N 2.82Å; S114-A163 PolarHBondContact OG-O 3.5Å; S114-A167 WeakPolarHBondContact O-CB 3.34Å
115E97.1Very high96.4Very high140 Ų14049 Ų4965%0.65427%0.271SS*.Hα-helixtrans-65.6-39.1176.5-64.2-173.117600112I86 F113 Q118 A119I86-E115 HydrophobicContact CD1-CB 3.83Å; F113-E115 VanDerWaalsContact C-N 3.31Å; F113-E115 PolarHBondContact O-N 3.2Å; E115-Q118 PolarHBondContact O-N 3.15Å; E115-A119 WeakPolarHBondContact O-CB 3.37Å; E115-A119 PolarHBondContact O-N 2.86Å
116T97.9Very high96.4Very high13 Ų1351.8 Ų51.88%0.0829%0.289CS..Hα-helixtrans-63.8-47.4176-57.10000111.2A89 F113 S114 Q118 A119 I120A89-T116 HydrophobicContact CB-CG2 3.48Å; A89-T116 VanDerWaalsContact CB-CG2 3.48Å; F113-T116 WeakPolarHBondContact O-CB 3.2Å; F113-T116 PolarHBondContact O-N 2.91Å; F113-T116 VanDerWaalsContact O-N 3.09Å; S114-T116 VanDerWaalsContact C-N 3.35Å; T116-Q118 VanDerWaalsContact C-N 3.33Å; T116-Q118 PolarHBondContact O-N 2.84Å; T116-A119 PolarHBondContact O-N 2.82Å; T116-I120 HydrophobicContact CG2-CD1 3.95Å; T116-I120 WeakPolarHBondContact O-CG1 3.47Å; T116-I120 PolarHBondContact O-N 3.19Å
117I98.3Very high96.4Very high0 Ų051.5 Ų51.50%029%0.288CS..Hα-helixtrans-60-45.2175.9-65.1166000110.1L107 F113 S114 A119 I120 T121 V127 V164 A167 A169L107-I117 HydrophobicContact CD1-CD1 4.19Å; L107-I117 HydrophobicContact CD1-CG1 3.9Å; L107-I117 HydrophobicContact CD2-CG1 4.08Å; L107-I117 HydrophobicContact CG-CG1 4.36Å; F113-I117 WeakPolarHBondContact O-CG1 2.78Å; F113-I117 PolarHBondContact O-N 2.88Å; S114-I117 PolarHBondContact O-N 2.9Å; I117-A119 VanDerWaalsContact C-N 3.31Å; I117-A119 PolarHBondContact O-N 2.99Å; I117-I120 PolarHBondContact O-N 2.88Å; I117-T121 HydrophobicContact CG2-CG2 4.22Å; I117-T121 WeakPolarHBondContact O-CB 3.42Å; I117-T121 VanDerWaalsContact O-CG2 3.23Å; I117-T121 WeakPolarHBondContact O-CG2 3.03Å; I117-T121 PolarHBondContact O-N 2.93Å; I117-T121 PolarHBondContact O-OG1 3.46Å; I117-V127 HydrophobicContact CG1-CG1 4.22Å; I117-V127 HydrophobicContact CG2-CB 4.25Å; I117-V127 HydrophobicContact CG2-CG1 4.12Å; I117-V164 HydrophobicContact CD1-CB 4.29Å; I117-V164 HydrophobicContact CD1-CG1 4.1Å; I117-V164 HydrophobicContact CD1-CG2 3.83Å; I117-A167 HydrophobicContact CB-CB 3.81Å; I117-A167 HydrophobicContact CD1-CB 4.45Å; I117-A167 HydrophobicContact CG2-CB 3.7Å; I117-A169 HydrophobicContact CG2-CB 4.36Å
118Q98.1Very high96.4Very high119 Ų11951.4 Ų51.456%0.55629%0.288SS*.Hα-helixtrans-62.5-38.7178.7-170179.722.300112S114 E115 T116 T121 R122 A167S114-Q118 WeakPolarHBondContact O-CB 3.14Å; S114-Q118 PolarHBondContact O-N 2.82Å; E115-Q118 PolarHBondContact O-N 3.15Å; T116-Q118 VanDerWaalsContact C-N 3.33Å; T116-Q118 PolarHBondContact O-N 2.84Å; Q118-T121 WeakPolarHBondContact CA-OG1 3.49Å; Q118-T121 PolarHBondContact O-OG1 2.71Å; Q118-R122 WeakPolarHBondContact O-CB 3.31Å; Q118-R122 PolarHBondContact O-N 2.8Å; Q118-A167 WeakPolarHBondContact CA-O 3.27Å
119A98.2Very high96.6Very high23 Ų2351.2 Ų51.219%0.1929%0.286CS..Hα-helixtrans-68.4-43.5178.100000112.5I86 V90 E115 T116 I117 R122 A123I86-A119 HydrophobicContact CG2-CB 3.26Å; V90-A119 HydrophobicContact CG2-CB 3.78Å; E115-A119 WeakPolarHBondContact O-CB 3.37Å; E115-A119 PolarHBondContact O-N 2.86Å; T116-A119 PolarHBondContact O-N 2.82Å; I117-A119 VanDerWaalsContact C-N 3.31Å; I117-A119 PolarHBondContact O-N 2.99Å; A119-R122 PolarHBondContact O-N 3.31Å; A119-A123 PolarHBondContact O-N 3.04Å; A119-A123 VanDerWaalsContact O-N 3.07Å
120I98.5Very high97.1Very high0 Ų050.7 Ų50.70%028%0.28CS..Hα-helixtrans-65.6-44.8178-64.6167.6000110.4L77 A89 V90 A93 V105 L107 T116 I117 R122 A123 I125 V127L77-I120 HydrophobicContact CD1-CD1 4.14Å; A89-I120 HydrophobicContact CB-CD1 4.35Å; V90-I120 HydrophobicContact CG2-CG1 4.07Å; A93-I120 HydrophobicContact CB-CD1 4.21Å; A93-I120 HydrophobicContact CB-CG1 4.17Å; A93-I120 HydrophobicContact CB-CG2 3.78Å; V105-I120 HydrophobicContact CG2-CG2 4.06Å; L107-I120 HydrophobicContact CD2-CD1 3.72Å; T116-I120 HydrophobicContact CG2-CD1 3.95Å; T116-I120 WeakPolarHBondContact O-CG1 3.47Å; T116-I120 PolarHBondContact O-N 3.19Å; I117-I120 PolarHBondContact O-N 2.88Å; I120-R122 PolarHBondContact O-N 3.39Å; I120-A123 CarbonylContact O-C 3.49Å; I120-A123 WeakPolarHBondContact O-CA 3.32Å; I120-A123 WeakPolarHBondContact O-CB 3.47Å; I120-A123 PolarHBondContact O-N 3.32Å; I120-A123 VanDerWaalsContact O-N 3.11Å; I120-I125 HydrophobicContact CG2-CB 3.67Å; I120-I125 HydrophobicContact CG2-CG2 3.76Å; I120-I125 PolarHBondContact O-N 3Å; I120-V127 HydrophobicContact CB-CG2 3.77Å; I120-V127 HydrophobicContact CG2-CG2 3.36Å
121T97.8Very high97.2Very high35 Ų3550.6 Ų50.622%0.21528%0.278CS..Hα-helixtrans-66.2-37.3177.355.40000112.3I117 Q118 A123 S124 I125 V127 G168I117-T121 HydrophobicContact CG2-CG2 4.22Å; I117-T121 WeakPolarHBondContact O-CB 3.42Å; I117-T121 VanDerWaalsContact O-CG2 3.23Å; I117-T121 WeakPolarHBondContact O-CG2 3.03Å; I117-T121 PolarHBondContact O-N 2.93Å; I117-T121 PolarHBondContact O-OG1 3.46Å; Q118-T121 WeakPolarHBondContact CA-OG1 3.49Å; Q118-T121 PolarHBondContact O-OG1 2.71Å; T121-A123 PolarHBondContact O-N 3.18Å; T121-S124 WeakPolarHBondContact O-CA 3.37Å; T121-S124 PolarHBondContact O-N 2.99Å; T121-I125 WeakPolarHBondContact CA-O 3.37Å; T121-V127 HydrophobicContact CG2-CB 4.03Å; T121-V127 HydrophobicContact CG2-CG2 3.76Å; T121-G168 WeakPolarHBondContact CG2-O 3.35Å
122R97.8Very high97.1Very high220 Ų22046 Ų4683%0.8326%0.26SS*.Hα-helixtrans-63.6-27.8171.9-177.8177.8178.5-177.60.1112.8Q118 A119 I120 S124Q118-R122 WeakPolarHBondContact O-CB 3.31Å; Q118-R122 PolarHBondContact O-N 2.8Å; A119-R122 PolarHBondContact O-N 3.31Å; I120-R122 PolarHBondContact O-N 3.39Å; R122-S124 PolarHBondContact O-N 2.88Å
123A97.5Very high96.8Very high47 Ų4741.8 Ų41.839%0.38823%0.225SC..THydrogen-bonded Turntrans-77.811.617000000113.2V90 A119 I120 T121 I125V90-A123 HydrophobicContact CG1-CB 3.8Å; A119-A123 PolarHBondContact O-N 3.04Å; A119-A123 VanDerWaalsContact O-N 3.07Å; I120-A123 CarbonylContact O-C 3.49Å; I120-A123 WeakPolarHBondContact O-CA 3.32Å; I120-A123 WeakPolarHBondContact O-CB 3.47Å; I120-A123 PolarHBondContact O-N 3.32Å; I120-A123 VanDerWaalsContact O-N 3.11Å; T121-A123 PolarHBondContact O-N 3.18Å; A123-I125 VanDerWaalsContact C-N 3.26Å; A123-I125 PolarHBondContact O-N 2.9Å
124S97.3Very high96.3Very high111 Ų11140.4 Ų40.478%0.77622%0.22SC*.THydrogen-bonded Turntrans63.825.9-179.1-55.40000114.2T121 R122T121-S124 WeakPolarHBondContact O-CA 3.37Å; T121-S124 PolarHBondContact O-N 2.99Å; R122-S124 PolarHBondContact O-N 2.88Å
125I98.3Very high95.5Very high17 Ų1739.8 Ų39.89%0.08722%0.215CC..  trans-102.6118.2175.1-59.7173.4000108.5A93 I97 V105 I120 T121 A123 V127A93-I125 HydrophobicContact CB-CD1 3.96Å; A93-I125 HydrophobicContact CB-CG2 4.39Å; I97-I125 HydrophobicContact CD1-CG2 3.94Å; I97-I125 HydrophobicContact CG1-CD1 4.29Å; I97-I125 HydrophobicContact CG1-CG1 4.18Å; I97-I125 HydrophobicContact CG1-CG2 3.74Å; V105-I125 HydrophobicContact CG1-CG2 4.17Å; V105-I125 HydrophobicContact CG2-CG2 4.01Å; I120-I125 HydrophobicContact CG2-CB 3.67Å; I120-I125 HydrophobicContact CG2-CG2 3.76Å; I120-I125 PolarHBondContact O-N 3Å; T121-I125 WeakPolarHBondContact CA-O 3.37Å; A123-I125 VanDerWaalsContact C-N 3.26Å; A123-I125 PolarHBondContact O-N 2.9Å; I125-V127 PolarHBondContact O-N 3.5Å
126P98.4Very high94.8Very high58 Ų5833.5 Ų33.538%0.37719%0.186SC..  trans-64.3134177.1-20.832.8000111.8A104 V105 F170A104-P126 WeakPolarHBondContact CA-O 3.47Å; A104-P126 HydrophobicContact CB-CB 3.92Å; A104-P126 WeakPolarHBondContact CB-O 3.48Å; V105-P126 PolarHBondContact N-O 3.39Å; P126-F170 HydrophobicContact CB-CD1 3.71Å; P126-F170 HydrophobicContact CB-CE1 3.85Å
127V98.7Very high93.9Very high0 Ų035.2 Ų35.20%020%0.198CC..EExtended strand (participates in β ladder)trans-114.9128.6179.6-179.90000110.8V105 L107 I117 I120 T121 I125 A169 F170V105-V127 HydrophobicContact CG2-CG2 4.02Å; V105-V127 CarbonylContact O-C 3.56Å; V105-V127 WeakPolarHBondContact O-CA 3.43Å; L107-V127 HydrophobicContact CD2-CG1 3.95Å; L107-V127 HydrophobicContact CG-CG1 4.14Å; I117-V127 HydrophobicContact CG1-CG1 4.22Å; I117-V127 HydrophobicContact CG2-CB 4.25Å; I117-V127 HydrophobicContact CG2-CG1 4.12Å; I120-V127 HydrophobicContact CB-CG2 3.77Å; I120-V127 HydrophobicContact CG2-CG2 3.36Å; T121-V127 HydrophobicContact CG2-CB 4.03Å; T121-V127 HydrophobicContact CG2-CG2 3.76Å; I125-V127 PolarHBondContact O-N 3.5Å; V127-A169 CarbonylContact O-C 3.46Å; V127-A169 WeakPolarHBondContact O-CA 3.41Å; V127-A169 WeakPolarHBondContact O-CB 3.43Å; V127-F170 VanDerWaalsContact C-CD1 3.46Å; V127-F170 VanDerWaalsContact C-CE1 3.5Å; V127-F170 WeakPolarHBondContact O-CD1 3.25Å; V127-F170 PolarHBondContact O-N 3.07Å
128M98.6Very high92.5Very high0 Ų036.7 Ų36.70%021%0.206CC..EExtended strand (participates in β ladder)trans-97.4126.6163.5-176.4175.1-73.300108.6M1 M13 V74 V105 K106 L107 F170 A171 V173M1-M128 HydrophobicContact CE-CE 4.09Å; M1-M128 HydrophobicContact SD-CE 4.02Å; M13-M128 HydrophobicContact CE-CE 3.66Å; M13-M128 HydrophobicContact CE-SD 4Å; V74-M128 HydrophobicContact CG1-CB 4.27Å; V74-M128 HydrophobicContact CG1-SD 4.29Å; V74-M128 HydrophobicContact CG2-CE 4.13Å; V105-M128 PolarHBondContact O-N 2.85Å; K106-M128 VanDerWaalsContact CA-O 3.24Å; K106-M128 WeakPolarHBondContact CA-O 3.48Å; K106-M128 HydrophobicContact CB-CB 4.15Å; K106-M128 HydrophobicContact CD-CG 4.45Å; K106-M128 HydrophobicContact CD-SD 4.34Å; L107-M128 PolarHBondContact N-O 2.89Å; M128-F170 HydrophobicContact CB-CE1 3.99Å; M128-F170 HydrophobicContact CB-CZ 4.13Å; M128-F170 HydrophobicContact CE-CE2 4Å; M128-F170 HydrophobicContact CE-CZ 3.79Å; M128-A171 CarbonylContact C-O 3.45Å; M128-A171 WeakPolarHBondContact CA-O 3.47Å; M128-A171 HydrophobicContact CE-CB 3.7Å; M128-A171 HydrophobicContact CG-CB 4.14Å; M128-V173 HydrophobicContact CG-CG2 4.28Å; M128-V173 HydrophobicContact SD-CG2 3.74Å
129G97.9Very high91.3Very high0 Ų038 Ų380%021%0.212CC..EExtended strand (participates in β ladder)trans-81.6161.8174.300000112.1L107 A171 I172 V173L107-G129 CarbonylContact O-C 3.59Å; G129-A171 PolarHBondContact N-O 2.77Å; G129-I172 CarbonylContact O-C 3.58Å; G129-I172 WeakPolarHBondContact O-CA 3.17Å; G129-V173 PolarHBondContact O-N 3.02Å
130H97.4Very high89.5Confident2 Ų241.1 Ų41.11%0.00924%0.237CC..EExtended strand (participates in β ladder)trans-133.4117.4170.3-178.1-168000110.1K106 L107 E108 G109 L133 V173 E175K106-H130 HydrophobicContact CD-CB 4.2Å; K106-H130 HydrophobicContact CG-CB 4.33Å; L107-H130 PolarHBondContact O-N 3.12Å; E108-H130 HydrophobicContact CB-CB 4.42Å; E108-H130 HydrophobicContact CG-CB 4.19Å; E108-H130 IonicContact OE1-CE1 2.76Å; E108-H130 PolarHBondContact OE1-CE1 3.36Å; E108-H130 IonicContact OE1-ND1 3.99Å; E108-H130 PolarHBondContact OE1-ND1 3.19Å; G109-H130 PolarHBondContact N-O 3.44Å; H130-L133 PolarHBondContact CE1-O 3.15Å; H130-L133 PolarHBondContact NE2-O 3.32Å; H130-V173 HydrophobicContact CB-CB 4.38Å; H130-E175 IonicContact CE1-OE2 2.76Å; H130-E175 PolarHBondContact CE1-OE2 3.17Å; H130-E175 WeakPolarHBondContact NE2-CB 3.18Å; H130-E175 IonicContact NE2-OE2 2.7Å; H130-E175 PolarHBondContact NE2-OE2 2.83Å
131I95Very high87.6Confident5 Ų544 Ų443%0.02625%0.25CS..EExtended strand (participates in β ladder)trans-123.6149-178.6-59.4-59.8000110.5G109 I157 D160 V164 I172 V173 L174 E175G109-I131 VanDerWaalsContact C-CD1 3.5Å; G109-I131 WeakPolarHBondContact O-CD1 3.45Å; I131-I157 HydrophobicContact CG2-CB 4.45Å; I131-I157 HydrophobicContact CG2-CG2 3.71Å; I131-D160 HydrophobicContact CD1-CB 3.9Å; I131-D160 HydrophobicContact CG2-CB 4.46Å; I131-V164 HydrophobicContact CD1-CG2 4.01Å; I131-V164 HydrophobicContact CG1-CG2 4.49Å; I131-I172 HydrophobicContact CB-CG2 4.2Å; I131-I172 HydrophobicContact CG1-CG2 3.89Å; I131-V173 PolarHBondContact N-O 3.13Å; I131-L174 HydrophobicContact CB-CD2 4.18Å; I131-L174 WeakPolarHBondContact O-CA 3.48Å; I131-E175 PolarHBondContact O-N 3.41Å; I131-E175 VanDerWaalsContact O-N 3.11Å
132G91.7Very high85.8Confident12 Ų1244.8 Ų44.812%0.12427%0.265CS..EExtended strand (participates in β ladder)trans114.8-126.6179.300000109.6T134G132-T134 PolarHBondContact O-N 3.07Å
133L86.9Confident84.4Confident5 Ų535.3 Ų35.33%0.02624%0.236CC..SBendtrans-74.6117.4167.2-179.974.1000108.9H130 P135 F141 F144 Q147 E175 A176H130-L133 PolarHBondContact CE1-O 3.15Å; H130-L133 PolarHBondContact NE2-O 3.32Å; L133-P135 WeakPolarHBondContact O-CD 3.29Å; L133-F141 HydrophobicContact CD1-CB 4.21Å; L133-F141 HydrophobicContact CD1-CD2 3.91Å; L133-F141 HydrophobicContact CD1-CE2 4.5Å; L133-F141 HydrophobicContact CD1-CG 4.1Å; L133-F144 HydrophobicContact CD2-CB 4.04Å; L133-F144 HydrophobicContact CD2-CD1 3.64Å; L133-F144 HydrophobicContact CD2-CG 4.26Å; L133-Q147 HydrophobicContact CB-CG 4.06Å; L133-Q147 HydrophobicContact CD1-CG 4.45Å; L133-E175 HydrophobicContact CB-CG 4.14Å; L133-E175 PolarHBondContact N-O 3.3Å; L133-A176 HydrophobicContact CB-CB 3.97Å; L133-A176 HydrophobicContact CD2-CB 4.17Å
134T83.3Confident83Confident14 Ų1439.3 Ų39.39%0.08624%0.244CC..  trans-106.5102.6177.353.70000109.6E108 G132 Q136 S137 F141E108-T134 HydrophobicContact CB-CG2 3.82Å; E108-T134 VanDerWaalsContact OE2-CA 3.3Å; E108-T134 WeakPolarHBondContact OE2-CA 3.5Å; E108-T134 WeakPolarHBondContact OE2-CB 3.46Å; G132-T134 PolarHBondContact O-N 3.07Å; T134-Q136 PolarHBondContact O-N 2.86Å; T134-Q136 VanDerWaalsContact O-N 3.11Å; T134-S137 WeakPolarHBondContact O-CA 3.14Å; T134-S137 WeakPolarHBondContact O-CB 3.11Å; T134-S137 PolarHBondContact O-N 3.38Å; T134-F141 VanDerWaalsContact OG1-CE2 3.31Å; T134-F141 WeakPolarHBondContact OG1-CE2 3.41Å
135P79.9Confident82Confident14 Ų1440 Ų409%0.09123%0.233CC..G310 helixtrans-48.6-32.9-179.1-32.334.9000115.3E108 L133 S137 I138E108-P135 WeakPolarHBondContact OE1-CD 3.49Å; L133-P135 WeakPolarHBondContact O-CD 3.29Å; P135-S137 PolarHBondContact O-N 3.39Å; P135-I138 VanDerWaalsContact O-CB 3.27Å; P135-I138 WeakPolarHBondContact O-CB 3.22Å; P135-I138 PolarHBondContact O-N 3.39Å
136Q83.5Confident81.2Confident8 Ų842.3 Ų42.34%0.03725%0.248CC..G310 helixtrans-68.9-4.9177.6-61.5-179.512.600113D37 L77 F79 Y82 E108 T134D37-Q136 WeakPolarHBondContact OD2-CG 3.4Å; D37-Q136 PolarHBondContact OD2-NE2 2.77Å; L77-Q136 PolarHBondContact O-NE2 3.17Å; F79-Q136 HydrophobicContact CB-CB 4.49Å; F79-Q136 HydrophobicContact CB-CG 4.34Å; F79-Q136 HydrophobicContact CD2-CB 4.16Å; Y82-Q136 PolarHBondContact OH-OE1 3.33Å; E108-Q136 HydrophobicContact CG-CG 4.39Å; E108-Q136 WeakPolarHBondContact OE2-CB 3.42Å; E108-Q136 WeakPolarHBondContact OE2-CG 3.45Å; E108-Q136 PolarHBondContact OE2-N 3.28Å; T134-Q136 PolarHBondContact O-N 2.86Å; T134-Q136 VanDerWaalsContact O-N 3.11Å
137S78.6Confident80.7Confident49 Ų4941.6 Ų41.634%0.34324%0.24SC..G310 helixtrans-116.923.4172.3-59.20000112.4T134 P135 H139 A140 F141T134-S137 WeakPolarHBondContact O-CA 3.14Å; T134-S137 WeakPolarHBondContact O-CB 3.11Å; T134-S137 PolarHBondContact O-N 3.38Å; P135-S137 PolarHBondContact O-N 3.39Å; S137-H139 VanDerWaalsContact C-N 3.26Å; S137-H139 PolarHBondContact O-N 3.36Å; S137-H139 VanDerWaalsContact O-N 3.13Å; S137-A140 WeakPolarHBondContact O-CA 3.31Å; S137-A140 WeakPolarHBondContact O-CB 3.5Å; S137-A140 PolarHBondContact O-N 2.95Å; S137-F141 WeakPolarHBondContact O-CD2 3.44Å; S137-F141 PolarHBondContact O-N 3.09Å
138I69.5Low80.1Confident31 Ų3142 Ų4216%0.15924%0.244CC..Hα-helixtrans-53.4-38.1-173.2-165.2164.3000114L50 P135 A140 F141 G142 G143 F144L50-I138 HydrophobicContact CD1-CG2 4.44Å; P135-I138 VanDerWaalsContact O-CB 3.27Å; P135-I138 WeakPolarHBondContact O-CB 3.22Å; P135-I138 PolarHBondContact O-N 3.39Å; I138-A140 VanDerWaalsContact C-N 3.34Å; I138-F141 PolarHBondContact O-N 2.82Å; I138-G142 PolarHBondContact O-N 3.1Å; I138-G143 PolarHBondContact O-N 3.3Å; I138-F144 HydrophobicContact CD1-CD2 4.12Å; I138-F144 HydrophobicContact CD1-CE1 4.41Å; I138-F144 HydrophobicContact CD1-CE2 3.47Å; I138-F144 VanDerWaalsContact CD1-CE2 3.47Å; I138-F144 HydrophobicContact CD1-CZ 3.62Å
139H72.4Confident79.5Confident148 Ų14849.5 Ų49.569%0.68528%0.276SS*.Hα-helixtrans-67.9-32.6176.5-66.4-50.8000112.7L50 S137L50-H139 VanDerWaalsContact CD1-CD2 3.5Å; L50-H139 WeakPolarHBondContact CD1-CD2 3.29Å; L50-H139 WeakPolarHBondContact CD1-NE2 3.43Å; S137-H139 VanDerWaalsContact C-N 3.26Å; S137-H139 PolarHBondContact O-N 3.36Å; S137-H139 VanDerWaalsContact O-N 3.13Å
140A60.3Low79.2Confident87 Ų8753.1 Ų53.172%0.71930%0.299SS*.Hα-helixtrans-70.6-32.9175.500000111.9S137 I138S137-A140 WeakPolarHBondContact O-CA 3.31Å; S137-A140 WeakPolarHBondContact O-CB 3.5Å; S137-A140 PolarHBondContact O-N 2.95Å; I138-A140 VanDerWaalsContact C-N 3.34Å
141F58.2Low78.9Confident62 Ų6258.7 Ų58.727%0.27233%0.327SS..Hα-helixtrans-86.6-16.3178.2-65.1-60.4000114.6L133 T134 S137 I138L133-F141 HydrophobicContact CD1-CB 4.21Å; L133-F141 HydrophobicContact CD1-CD2 3.91Å; L133-F141 HydrophobicContact CD1-CE2 4.5Å; L133-F141 HydrophobicContact CD1-CG 4.1Å; T134-F141 VanDerWaalsContact OG1-CE2 3.31Å; T134-F141 WeakPolarHBondContact OG1-CE2 3.41Å; S137-F141 WeakPolarHBondContact O-CD2 3.44Å; S137-F141 PolarHBondContact O-N 3.09Å; I138-F141 PolarHBondContact O-N 2.82Å
142G61.5Low78.8Confident51 Ų5164.6 Ų64.653%0.52636%0.355SS..THydrogen-bonded Turntrans64.841.9-174.500000112.5I138I138-G142 PolarHBondContact O-N 3.1Å
143G67.3Low78.8Confident21 Ų2165.8 Ų65.822%0.21636%0.363CS..SBendtrans104.6-174.1176.200000115.6I138 K145I138-G143 PolarHBondContact O-N 3.3Å; G143-K145 VanDerWaalsContact C-N 3.33Å; G143-K145 PolarHBondContact O-N 2.83Å
144F69.3Low79.2Confident130 Ų13066.4 Ų66.457%0.5737%0.369SS*.SBendtrans-77.773.3-176.2-61.9-90.3000112.6L133 I138L133-F144 HydrophobicContact CD2-CB 4.04Å; L133-F144 HydrophobicContact CD2-CD1 3.64Å; L133-F144 HydrophobicContact CD2-CG 4.26Å; I138-F144 HydrophobicContact CD1-CD2 4.12Å; I138-F144 HydrophobicContact CD1-CE1 4.41Å; I138-F144 HydrophobicContact CD1-CE2 3.47Å; I138-F144 VanDerWaalsContact CD1-CE2 3.47Å; I138-F144 HydrophobicContact CD1-CZ 3.62Å
145K75.1Confident79.8Confident126 Ų12671.1 Ų71.155%0.54839%0.39SS..  trans-105.9143.2178.7-68.6174.7-174.91610111.2G143 Q147G143-K145 VanDerWaalsContact C-N 3.33Å; G143-K145 PolarHBondContact O-N 2.83Å; K145-Q147 PolarHBondContact O-N 2.9Å; K145-Q147 PolarHBondContact O-NE2 3.38Å
146V82.3Confident80.5Confident66 Ų6674.5 Ų74.540%0.440%0.404SS..  trans-59.1126.1174.4173.40000110.4K149 A176 P178V146-K149 HydrophobicContact CG1-CG 4.35Å; V146-K149 WeakPolarHBondContact O-CE 3.31Å; V146-A176 CarbonylContact C-O 3.52Å; V146-A176 WeakPolarHBondContact CA-O 3.47Å; V146-A176 WeakPolarHBondContact CG1-O 3.48Å; V146-P178 HydrophobicContact CG1-CG 4.44Å
147Q86.6Confident81.1Confident42 Ų4274.9 Ų74.920%0.19641%0.406CS..  trans-92.7161.6-180-58.2-56.7-42.200111.6L133 K145 I157 A176 I177 P178L133-Q147 HydrophobicContact CB-CG 4.06Å; L133-Q147 HydrophobicContact CD1-CG 4.45Å; K145-Q147 PolarHBondContact O-N 2.9Å; K145-Q147 PolarHBondContact O-NE2 3.38Å; Q147-I157 HydrophobicContact CB-CD1 4Å; Q147-A176 PolarHBondContact N-O 2.89Å; Q147-I177 HydrophobicContact CB-CG2 4.34Å; Q147-P178 WeakPolarHBondContact O-CD 3.11Å
148G86Confident82Confident8 Ų874.1 Ų74.18%0.08240%0.398CS..  trans75.327.517400000115.6
149K86.9Confident83.3Confident158 Ų15877.9 Ų77.969%0.68741%0.414SS*.  trans-75.6-22.2180-66.4-174.7-177.9179.20114.3V146V146-K149 HydrophobicContact CG1-CG 4.35Å; V146-K149 WeakPolarHBondContact O-CE 3.31Å
150T91.1Very high84.5Confident77 Ų7771.9 Ų71.947%0.47239%0.388SS..SBendtrans-102.6161.4174.1780000109.9E152 A153 A154T150-E152 VanDerWaalsContact C-N 3.3Å; T150-E152 WeakPolarHBondContact CB-OE2 3.43Å; T150-E152 PolarHBondContact O-N 3.16Å; T150-E152 PolarHBondContact OG1-OE2 3.15Å; T150-A153 PolarHBondContact O-N 2.92Å; T150-A153 PolarHBondContact OG1-N 3.42Å; T150-A154 VanDerWaalsContact O-CB 3.29Å; T150-A154 WeakPolarHBondContact O-CB 3.39Å; T150-A154 PolarHBondContact O-N 3.26Å
151I91.9Very high86.3Confident119 Ų11967.8 Ų67.861%0.6135%0.353SS*.Hα-helixtrans-62-41.3-180-65174.9000110.5A154 Q155I151-A154 PolarHBondContact O-N 2.9Å; I151-Q155 HydrophobicContact CG2-CG 4.42Å; I151-Q155 WeakPolarHBondContact O-CB 3.24Å; I151-Q155 VanDerWaalsContact O-CG 3.28Å; I151-Q155 WeakPolarHBondContact O-CG 3.48Å; I151-Q155 PolarHBondContact O-N 3.01Å
152E92.9Very high88.2Confident129 Ų12968.2 Ų68.260%0.60336%0.358SS*.Hα-helixtrans-65.1-45.6-179.8-5674.5-160.900111.1T150 A154 Q155 K156T150-E152 VanDerWaalsContact C-N 3.3Å; T150-E152 WeakPolarHBondContact CB-OE2 3.43Å; T150-E152 PolarHBondContact O-N 3.16Å; T150-E152 PolarHBondContact OG1-OE2 3.15Å; E152-A154 VanDerWaalsContact C-N 3.34Å; E152-A154 PolarHBondContact O-N 2.88Å; E152-Q155 PolarHBondContact O-N 2.71Å; E152-K156 PolarHBondContact O-N 3.16Å
153A92.1Very high89.9Confident36 Ų3666.5 Ų66.530%0.29834%0.339SS..Hα-helixtrans-64.5-40.5176.900000111.4T150 K156 I157T150-A153 PolarHBondContact O-N 2.92Å; T150-A153 PolarHBondContact OG1-N 3.42Å; A153-K156 PolarHBondContact O-N 3.11Å; A153-I157 VanDerWaalsContact O-CG1 3.3Å; A153-I157 WeakPolarHBondContact O-CG1 3.32Å; A153-I157 PolarHBondContact O-N 2.98Å
154A94.5Very high91.4Very high19 Ų1965.5 Ų65.516%0.15733%0.329CS..Hα-helixtrans-64-40.6175.800000112.3T150 I151 E152 I157 L158 L181T150-A154 VanDerWaalsContact O-CB 3.29Å; T150-A154 WeakPolarHBondContact O-CB 3.39Å; T150-A154 PolarHBondContact O-N 3.26Å; I151-A154 PolarHBondContact O-N 2.9Å; E152-A154 VanDerWaalsContact C-N 3.34Å; E152-A154 PolarHBondContact O-N 2.88Å; A154-I157 PolarHBondContact O-N 2.99Å; A154-L158 PolarHBondContact O-N 3.25Å; A154-L181 HydrophobicContact CB-CD1 3.99Å; A154-L181 HydrophobicContact CB-CD2 3.74Å; A154-L181 HydrophobicContact CB-CG 4.44Å
155Q95.3Very high92.8Very high113 Ų11361.1 Ų61.153%0.52831%0.31SS..Hα-helixtrans-63.4-42.4174.8-77.3174.7-9.300111.8I151 E152 L158 Q159I151-Q155 HydrophobicContact CG2-CG 4.42Å; I151-Q155 WeakPolarHBondContact O-CB 3.24Å; I151-Q155 VanDerWaalsContact O-CG 3.28Å; I151-Q155 WeakPolarHBondContact O-CG 3.48Å; I151-Q155 PolarHBondContact O-N 3.01Å; E152-Q155 PolarHBondContact O-N 2.71Å; Q155-L158 PolarHBondContact O-N 2.96Å; Q155-Q159 WeakPolarHBondContact O-CG 3.19Å; Q155-Q159 PolarHBondContact O-N 2.92Å
156K95.1Very high93.8Very high84 Ų8464.2 Ų64.237%0.36532%0.324SS..Hα-helixtrans-62.3-46176.9-178.451.7176.41560111.7E111 E152 A153 L158 Q159 D160E111-K156 IonicContact OE2-NZ 2.72Å; E111-K156 PolarHBondContact OE2-NZ 3.27Å; E152-K156 PolarHBondContact O-N 3.16Å; A153-K156 PolarHBondContact O-N 3.11Å; K156-L158 VanDerWaalsContact C-N 3.31Å; K156-L158 PolarHBondContact O-N 3.32Å; K156-Q159 PolarHBondContact O-N 2.66Å; K156-Q159 VanDerWaalsContact O-N 3.17Å; K156-D160 WeakPolarHBondContact CE-OD1 3.33Å; K156-D160 WeakPolarHBondContact CE-OD2 3.44Å; K156-D160 IonicContact NZ-OD1 3.48Å; K156-D160 PolarHBondContact NZ-OD1 3.3Å; K156-D160 IonicContact NZ-OD2 2.69Å; K156-D160 WeakPolarHBondContact O-CB 3.42Å; K156-D160 PolarHBondContact O-N 3.14Å
157I95.7Very high94.6Very high16 Ų1661.6 Ų61.68%0.08231%0.309CS..Hα-helixtrans-58.3-42.6175.7-69.4171.7000111.3I131 Q147 A153 A154 D160 A161 I177 L181 I185I131-I157 HydrophobicContact CG2-CB 4.45Å; I131-I157 HydrophobicContact CG2-CG2 3.71Å; Q147-I157 HydrophobicContact CB-CD1 4Å; A153-I157 VanDerWaalsContact O-CG1 3.3Å; A153-I157 WeakPolarHBondContact O-CG1 3.32Å; A153-I157 PolarHBondContact O-N 2.98Å; A154-I157 PolarHBondContact O-N 2.99Å; I157-D160 PolarHBondContact O-N 3.5Å; I157-A161 WeakPolarHBondContact O-CB 3.29Å; I157-A161 PolarHBondContact O-N 2.74Å; I157-I177 HydrophobicContact CD1-CG2 3.99Å; I157-I177 HydrophobicContact CG2-CG2 4.49Å; I157-L181 HydrophobicContact CB-CD2 4.31Å; I157-L181 HydrophobicContact CD1-CD2 4.14Å; I157-L181 HydrophobicContact CG2-CD2 4.1Å; I157-I185 HydrophobicContact CG2-CD1 3.63Å
158L97.1Very high95.1Very high33 Ų3361.5 Ų61.517%0.17332%0.319CS..Hα-helixtrans-65-42.3176.5176.362.4000112.2A154 Q155 K156 A161 L162 L184 I185 K188A154-L158 PolarHBondContact O-N 3.25Å; Q155-L158 PolarHBondContact O-N 2.96Å; K156-L158 VanDerWaalsContact C-N 3.31Å; K156-L158 PolarHBondContact O-N 3.32Å; L158-A161 PolarHBondContact O-N 2.96Å; L158-L162 HydrophobicContact CD1-CD1 4.37Å; L158-L162 HydrophobicContact CG-CD1 4.28Å; L158-L162 WeakPolarHBondContact O-CG 3.38Å; L158-L162 PolarHBondContact O-N 2.93Å; L158-L162 VanDerWaalsContact O-N 3.09Å; L158-L184 HydrophobicContact CD2-CD2 4.24Å; L158-I185 HydrophobicContact CB-CG1 4.43Å; L158-I185 HydrophobicContact CD1-CB 4.49Å; L158-I185 HydrophobicContact CD1-CG1 3.78Å; L158-K188 HydrophobicContact CD1-CB 4.36Å; L158-K188 HydrophobicContact CD1-CG 4.38Å
159Q97.2Very high95.7Very high110 Ų11061.3 Ų61.351%0.51432%0.317SS..Hα-helixtrans-62.7-44.4176.2-75.7176.9-11.700111.6Q155 K156 A161 L162 A163Q155-Q159 WeakPolarHBondContact O-CG 3.19Å; Q155-Q159 PolarHBondContact O-N 2.92Å; K156-Q159 PolarHBondContact O-N 2.66Å; K156-Q159 VanDerWaalsContact O-N 3.17Å; Q159-A161 VanDerWaalsContact C-N 3.33Å; Q159-A161 PolarHBondContact O-N 3.47Å; Q159-L162 PolarHBondContact O-N 3.45Å; Q159-A163 WeakPolarHBondContact O-CB 3.21Å; Q159-A163 PolarHBondContact O-N 2.89Å
160D97.6Very high96.2Very high23 Ų2356.3 Ų56.312%0.12330%0.295CS..Hα-helixtrans-61-43.3177.4-75.9-27.7000111.3E111 I131 K156 I157 L162 A163 V164E111-D160 WeakPolarHBondContact CB-OD1 3.38Å; E111-D160 PolarHBondContact N-OD1 3.34Å; I131-D160 HydrophobicContact CD1-CB 3.9Å; I131-D160 HydrophobicContact CG2-CB 4.46Å; K156-D160 WeakPolarHBondContact CE-OD1 3.33Å; K156-D160 WeakPolarHBondContact CE-OD2 3.44Å; K156-D160 IonicContact NZ-OD1 3.48Å; K156-D160 PolarHBondContact NZ-OD1 3.3Å; K156-D160 IonicContact NZ-OD2 2.69Å; K156-D160 WeakPolarHBondContact O-CB 3.42Å; K156-D160 PolarHBondContact O-N 3.14Å; I157-D160 PolarHBondContact O-N 3.5Å; D160-L162 PolarHBondContact O-N 3.21Å; D160-A163 PolarHBondContact O-N 3.19Å; D160-V164 WeakPolarHBondContact O-CB 3.48Å; D160-V164 VanDerWaalsContact O-CG2 3.31Å; D160-V164 WeakPolarHBondContact O-CG2 3.36Å; D160-V164 PolarHBondContact O-N 3.07Å
161A97.9Very high96.6Very high0 Ų052.7 Ų52.70%027%0.273CS..Hα-helixtrans-61.6-42.4176.300000112.7I157 L158 Q159 V164 E165 I172 I185 L189I157-A161 WeakPolarHBondContact O-CB 3.29Å; I157-A161 PolarHBondContact O-N 2.74Å; L158-A161 PolarHBondContact O-N 2.96Å; Q159-A161 VanDerWaalsContact C-N 3.33Å; Q159-A161 PolarHBondContact O-N 3.47Å; A161-V164 PolarHBondContact O-N 2.98Å; A161-E165 PolarHBondContact O-N 3.31Å; A161-E165 VanDerWaalsContact O-N 3.09Å; A161-I172 HydrophobicContact CB-CD1 4.29Å; A161-I172 WeakPolarHBondContact O-CD1 3.48Å; A161-I185 HydrophobicContact CB-CG2 3.75Å; A161-L189 HydrophobicContact CB-CD1 4.24Å
162L98.1Very high96.9Very high71 Ų7147 Ų4737%0.37224%0.244SC..Hα-helixtrans-66-38.5175.3-70.8166.4000112.1L158 Q159 D160 K166 L189L158-L162 HydrophobicContact CD1-CD1 4.37Å; L158-L162 HydrophobicContact CG-CD1 4.28Å; L158-L162 WeakPolarHBondContact O-CG 3.38Å; L158-L162 PolarHBondContact O-N 2.93Å; L158-L162 VanDerWaalsContact O-N 3.09Å; Q159-L162 PolarHBondContact O-N 3.45Å; D160-L162 PolarHBondContact O-N 3.21Å; L162-K166 WeakPolarHBondContact O-CB 3.36Å; L162-K166 PolarHBondContact O-N 2.84Å; L162-L189 HydrophobicContact CD2-CD2 3.94Å; L162-L189 HydrophobicContact CG-CD2 4.46Å
163A98Very high97.1Very high15 Ų1541 Ų4112%0.12422%0.216CC..Hα-helixtrans-67.1-39.2177.900000111.9E111 S114 Q159 D160 K166 A167E111-A163 HydrophobicContact CB-CB 3.82Å; E111-A163 HydrophobicContact CG-CB 4.09Å; S114-A163 PolarHBondContact OG-O 3.5Å; Q159-A163 WeakPolarHBondContact O-CB 3.21Å; Q159-A163 PolarHBondContact O-N 2.89Å; D160-A163 PolarHBondContact O-N 3.19Å; A163-K166 PolarHBondContact O-N 3.05Å; A163-A167 VanDerWaalsContact O-CB 3.31Å; A163-A167 WeakPolarHBondContact O-CB 3.46Å; A163-A167 PolarHBondContact O-N 3.36Å
164V98Very high97.4Very high0 Ų039.3 Ų39.30%020%0.202CC..Hα-helixtrans-65.7-43.2175.8165.40000111.7G109 I117 I131 D160 A161 A167 G168 A169 I172G109-V164 WeakPolarHBondContact O-CG2 3.44Å; I117-V164 HydrophobicContact CD1-CB 4.29Å; I117-V164 HydrophobicContact CD1-CG1 4.1Å; I117-V164 HydrophobicContact CD1-CG2 3.83Å; I131-V164 HydrophobicContact CD1-CG2 4.01Å; I131-V164 HydrophobicContact CG1-CG2 4.49Å; D160-V164 WeakPolarHBondContact O-CB 3.48Å; D160-V164 VanDerWaalsContact O-CG2 3.31Å; D160-V164 WeakPolarHBondContact O-CG2 3.36Å; D160-V164 PolarHBondContact O-N 3.07Å; A161-V164 PolarHBondContact O-N 2.98Å; V164-A167 PolarHBondContact O-N 3.08Å; V164-G168 PolarHBondContact O-N 2.98Å; V164-A169 HydrophobicContact CG1-CB 3.51Å; V164-A169 WeakPolarHBondContact O-CB 3.4Å; V164-A169 PolarHBondContact O-N 3.15Å; V164-I172 HydrophobicContact CB-CD1 3.85Å; V164-I172 HydrophobicContact CG1-CD1 3.5Å; V164-I172 VanDerWaalsContact CG1-CD1 3.5Å; V164-I172 HydrophobicContact CG1-CG1 3.76Å
165E98.3Very high97.4Very high38 Ų3839.9 Ų39.918%0.17820%0.201CC..Hα-helixtrans-60.7-49172.7176.8177.9-120.700111.2A161 A167 G168 L189 T190 I191A161-E165 PolarHBondContact O-N 3.31Å; A161-E165 VanDerWaalsContact O-N 3.09Å; E165-A167 PolarHBondContact O-N 3.38Å; E165-G168 PolarHBondContact O-N 3.29Å; E165-L189 HydrophobicContact CB-CD2 3.97Å; E165-L189 WeakPolarHBondContact OE2-CD2 3.38Å; E165-T190 WeakPolarHBondContact OE1-CA 3.46Å; E165-T190 WeakPolarHBondContact OE1-CB 3.03Å; E165-T190 PolarHBondContact OE1-N 2.96Å; E165-T190 PolarHBondContact OE1-OG1 3.47Å; E165-I191 HydrophobicContact CB-CD1 3.76Å; E165-I191 HydrophobicContact CB-CG1 4.29Å; E165-I191 HydrophobicContact CG-CD1 3.94Å; E165-I191 HydrophobicContact CG-CG1 4.11Å; E165-I191 HydrophobicContact CG-CG2 4.32Å; E165-I191 PolarHBondContact OE1-N 3.47Å; E165-I191 VanDerWaalsContact OE1-N 3.11Å
166K98Very high97.3Very high192 Ų19235.3 Ų35.384%0.83518%0.183SC*.Hα-helixtrans-60.3-32.1178.6-175.1-177.6176-171.50112.6L162 A163 G168L162-K166 WeakPolarHBondContact O-CB 3.36Å; L162-K166 PolarHBondContact O-N 2.84Å; A163-K166 PolarHBondContact O-N 3.05Å; K166-G168 PolarHBondContact O-N 2.96Å
167A98Very high97.2Very high10 Ų1031.5 Ų31.58%0.08317%0.166CC..THydrogen-bonded Turntrans-72.3-12.2176.900000113.7S114 I117 Q118 A163 V164 E165S114-A167 WeakPolarHBondContact O-CB 3.34Å; I117-A167 HydrophobicContact CB-CB 3.81Å; I117-A167 HydrophobicContact CD1-CB 4.45Å; I117-A167 HydrophobicContact CG2-CB 3.7Å; Q118-A167 WeakPolarHBondContact CA-O 3.27Å; A163-A167 VanDerWaalsContact O-CB 3.31Å; A163-A167 WeakPolarHBondContact O-CB 3.46Å; A163-A167 PolarHBondContact O-N 3.36Å; V164-A167 PolarHBondContact O-N 3.08Å; E165-A167 PolarHBondContact O-N 3.38Å
168G97.6Very high97.1Very high40 Ų4032.9 Ų32.941%0.41218%0.176SC..THydrogen-bonded Turntrans109.511.2173.700000115.2T121 V164 E165 K166T121-G168 WeakPolarHBondContact CG2-O 3.35Å; V164-G168 PolarHBondContact O-N 2.98Å; E165-G168 PolarHBondContact O-N 3.29Å; K166-G168 PolarHBondContact O-N 2.96Å
169A98.4Very high97Very high4 Ų433.3 Ų33.33%0.03318%0.184CC..  trans-61.3142.2173.100000110.9I117 V127 V164 I191I117-A169 HydrophobicContact CG2-CB 4.36Å; V127-A169 CarbonylContact O-C 3.46Å; V127-A169 WeakPolarHBondContact O-CA 3.41Å; V127-A169 WeakPolarHBondContact O-CB 3.43Å; V164-A169 HydrophobicContact CG1-CB 3.51Å; V164-A169 WeakPolarHBondContact O-CB 3.4Å; V164-A169 PolarHBondContact O-N 3.15Å; A169-I191 HydrophobicContact CB-CD1 4.36Å; A169-I191 VanDerWaalsContact O-CD1 3.26Å; A169-I191 WeakPolarHBondContact O-CD1 3.37Å
170F98.1Very high96.9Very high54 Ų5434.9 Ų34.924%0.23720%0.196CC..SBendtrans-93.3-12.9-18078-87.8000113.4M1 L72 A104 P126 V127 M128 P192M1-F170 HydrophobicContact SD-CE2 3.86Å; L72-F170 HydrophobicContact CD2-CE2 3.95Å; L72-F170 HydrophobicContact CD2-CZ 4.02Å; A104-F170 HydrophobicContact CB-CE1 3.65Å; A104-F170 HydrophobicContact CB-CZ 3.87Å; P126-F170 HydrophobicContact CB-CD1 3.71Å; P126-F170 HydrophobicContact CB-CE1 3.85Å; V127-F170 VanDerWaalsContact C-CD1 3.46Å; V127-F170 VanDerWaalsContact C-CE1 3.5Å; V127-F170 WeakPolarHBondContact O-CD1 3.25Å; V127-F170 PolarHBondContact O-N 3.07Å; M128-F170 HydrophobicContact CB-CE1 3.99Å; M128-F170 HydrophobicContact CB-CZ 4.13Å; M128-F170 HydrophobicContact CE-CE2 4Å; M128-F170 HydrophobicContact CE-CZ 3.79Å; F170-P192 WeakPolarHBondContact O-CD 3.26Å
171A98.3Very high96.9Very high0 Ų034.5 Ų34.50%019%0.194CC..EExtended strand (participates in β ladder)trans-161.5162.3176.800000110M1 M128 G129 P192M1-A171 HydrophobicContact SD-CB 4.47Å; M128-A171 CarbonylContact C-O 3.45Å; M128-A171 WeakPolarHBondContact CA-O 3.47Å; M128-A171 HydrophobicContact CE-CB 3.7Å; M128-A171 HydrophobicContact CG-CB 4.14Å; G129-A171 PolarHBondContact N-O 2.77Å; A171-P192 CarbonylContact C-O 3.54Å; A171-P192 VanDerWaalsContact CA-O 3.24Å; A171-P192 WeakPolarHBondContact CA-O 3.48Å; A171-P192 HydrophobicContact CB-CB 4.29Å
172I98.3Very high96.9Very high0 Ų034.5 Ų34.50%019%0.194CC..EExtended strand (participates in β ladder)trans-134.3129177.7-58.4-176.4000110.8G129 I131 A161 V164 L174 L189 I191 P192 T193 I194G129-I172 CarbonylContact O-C 3.58Å; G129-I172 WeakPolarHBondContact O-CA 3.17Å; I131-I172 HydrophobicContact CB-CG2 4.2Å; I131-I172 HydrophobicContact CG1-CG2 3.89Å; A161-I172 HydrophobicContact CB-CD1 4.29Å; A161-I172 WeakPolarHBondContact O-CD1 3.48Å; V164-I172 HydrophobicContact CB-CD1 3.85Å; V164-I172 HydrophobicContact CG1-CD1 3.5Å; V164-I172 VanDerWaalsContact CG1-CD1 3.5Å; V164-I172 HydrophobicContact CG1-CG1 3.76Å; I172-L174 HydrophobicContact CG2-CD2 3.85Å; I172-L189 HydrophobicContact CD1-CD1 3.74Å; I172-L189 HydrophobicContact CG1-CD1 4.48Å; I172-I191 HydrophobicContact CD1-CD1 4.01Å; I172-I191 HydrophobicContact CG1-CD1 3.78Å; I172-P192 PolarHBondContact N-O 2.98Å; I172-T193 CarbonylContact O-C 3.51Å; I172-T193 VanDerWaalsContact O-CA 3.29Å; I172-T193 WeakPolarHBondContact O-CA 3.24Å; I172-I194 PolarHBondContact O-N 3.18Å
173V98.2Very high96.8Very high3 Ų332.5 Ų32.52%0.01819%0.188CC..EExtended strand (participates in β ladder)trans-79131.5165.2178.80000109.4K106 M128 G129 H130 I131 I194 I196 V206K106-V173 HydrophobicContact CD-CB 4.43Å; K106-V173 HydrophobicContact CD-CG2 3.76Å; M128-V173 HydrophobicContact CG-CG2 4.28Å; M128-V173 HydrophobicContact SD-CG2 3.74Å; G129-V173 PolarHBondContact O-N 3.02Å; H130-V173 HydrophobicContact CB-CB 4.38Å; I131-V173 PolarHBondContact N-O 3.13Å; V173-I194 CarbonylContact C-O 3.52Å; V173-I194 VanDerWaalsContact CA-O 3.27Å; V173-I194 WeakPolarHBondContact CA-O 3.39Å; V173-I194 HydrophobicContact CG2-CB 4.31Å; V173-I196 HydrophobicContact CG1-CG2 3.85Å; V173-V206 HydrophobicContact CG1-CG1 4.49Å
174L97.4Very high96.8Very high0 Ų035.6 Ų35.60%020%0.202CC..EExtended strand (participates in β ladder)trans-113107.2174.4-59.5179.8000108.7I131 I172 I177 A182 I185 T193 I194 I196 A198 T202I131-L174 HydrophobicContact CB-CD2 4.18Å; I131-L174 WeakPolarHBondContact O-CA 3.48Å; I172-L174 HydrophobicContact CG2-CD2 3.85Å; L174-I177 HydrophobicContact CB-CD1 3.9Å; L174-I177 HydrophobicContact CB-CG1 4.37Å; L174-I177 HydrophobicContact CD1-CD1 4.13Å; L174-I177 HydrophobicContact CD2-CD1 4.33Å; L174-I177 HydrophobicContact CG-CD1 4.35Å; L174-A182 HydrophobicContact CD1-CB 4.29Å; L174-I185 HydrophobicContact CD1-CB 4.18Å; L174-I185 HydrophobicContact CD1-CG2 3.94Å; L174-I185 HydrophobicContact CD2-CD1 4.38Å; L174-I185 HydrophobicContact CD2-CG2 4.24Å; L174-T193 HydrophobicContact CD1-CG2 3.97Å; L174-I194 PolarHBondContact N-O 2.91Å; L174-I196 PolarHBondContact O-N 2.76Å; L174-A198 HydrophobicContact CB-CB 4.13Å; L174-A198 VanDerWaalsContact O-CB 3.26Å; L174-A198 WeakPolarHBondContact O-CB 3.33Å; L174-T202 HydrophobicContact CD1-CG2 4.19Å
175E95.1Very high96.8Very high32 Ų3235.6 Ų35.615%0.1520%0.202CC..EExtended strand (participates in β ladder)trans-107.6130.3-176.4-176.2164.5165.400113H130 I131 L133 I177 I196H130-E175 IonicContact CE1-OE2 2.76Å; H130-E175 PolarHBondContact CE1-OE2 3.17Å; H130-E175 WeakPolarHBondContact NE2-CB 3.18Å; H130-E175 IonicContact NE2-OE2 2.7Å; H130-E175 PolarHBondContact NE2-OE2 2.83Å; I131-E175 PolarHBondContact O-N 3.41Å; I131-E175 VanDerWaalsContact O-N 3.11Å; L133-E175 HydrophobicContact CB-CG 4.14Å; L133-E175 PolarHBondContact N-O 3.3Å; E175-I177 PolarHBondContact O-N 3.43Å; E175-I196 WeakPolarHBondContact CA-O 3.37Å; E175-I196 HydrophobicContact CB-CG2 3.63Å; E175-I196 HydrophobicContact CG-CG2 3.73Å
176A92.1Very high96.8Very high17 Ų1734.3 Ų34.314%0.1420%0.197CC..SBendtrans48.851.3171.600000113.8L133 V146 Q147 I196L133-A176 HydrophobicContact CB-CB 3.97Å; L133-A176 HydrophobicContact CD2-CB 4.17Å; V146-A176 CarbonylContact C-O 3.52Å; V146-A176 WeakPolarHBondContact CA-O 3.47Å; V146-A176 WeakPolarHBondContact CG1-O 3.48Å; Q147-A176 PolarHBondContact N-O 2.89Å; A176-I196 PolarHBondContact N-O 2.99Å
177I93.7Very high96.8Very high4 Ų433.9 Ų33.92%0.02120%0.195CC..  trans-117.3156.7173.261.8168.5000111Q147 I157 L174 E175 A179 L181 A182 I185 A198Q147-I177 HydrophobicContact CB-CG2 4.34Å; I157-I177 HydrophobicContact CD1-CG2 3.99Å; I157-I177 HydrophobicContact CG2-CG2 4.49Å; L174-I177 HydrophobicContact CB-CD1 3.9Å; L174-I177 HydrophobicContact CB-CG1 4.37Å; L174-I177 HydrophobicContact CD1-CD1 4.13Å; L174-I177 HydrophobicContact CD2-CD1 4.33Å; L174-I177 HydrophobicContact CG-CD1 4.35Å; E175-I177 PolarHBondContact O-N 3.43Å; I177-A179 PolarHBondContact O-N 3.49Å; I177-L181 HydrophobicContact CB-CD2 4.45Å; I177-L181 HydrophobicContact CD1-CG 4.34Å; I177-A182 HydrophobicContact CD1-CB 3.79Å; I177-A182 HydrophobicContact CG1-CB 4.06Å; I177-I185 HydrophobicContact CD1-CD1 3.96Å; I177-A198 HydrophobicContact CG1-CB 3.8Å
178P93.8Very high96.7Very high44 Ų4439.6 Ų39.629%0.28622%0.218SC..  trans-53.1139.7174.1-28.433.4000112.7V146 Q147 D180 L181 A182V146-P178 HydrophobicContact CG1-CG 4.44Å; Q147-P178 WeakPolarHBondContact O-CD 3.11Å; P178-D180 VanDerWaalsContact C-N 3.29Å; P178-D180 PolarHBondContact O-N 3.45Å; P178-L181 HydrophobicContact CB-CB 4.26Å; P178-L181 WeakPolarHBondContact O-CB 3.32Å; P178-L181 PolarHBondContact O-N 3.19Å; P178-A182 PolarHBondContact O-N 3.3Å
179A94.9Very high96.7Very high42 Ų4238 Ų3835%0.34720%0.2SC..Hα-helixtrans-58-39.6-177.400000112.9I177 L181 A182 A183I177-A179 PolarHBondContact O-N 3.49Å; A179-L181 VanDerWaalsContact C-N 3.32Å; A179-L181 PolarHBondContact O-N 3.03Å; A179-A182 PolarHBondContact O-N 3.26Å; A179-A183 WeakPolarHBondContact O-CB 3.41Å; A179-A183 PolarHBondContact O-N 3Å
180D95.8Very high96.7Very high143 Ų14342.4 Ų42.477%0.76523%0.226SC*.Hα-helixtrans-66.9-34.6178.6-63.4-21000112.1P178 L184P178-D180 VanDerWaalsContact C-N 3.29Å; P178-D180 PolarHBondContact O-N 3.45Å; D180-L184 WeakPolarHBondContact O-CB 3.45Å; D180-L184 PolarHBondContact O-N 3.33Å
181L96.9Very high96.7Very high16 Ų1640.5 Ų40.58%0.08422%0.219CC..Hα-helixtrans-69.6-44.3174.5178.757.9000110.8A154 I157 I177 P178 A179 A183 L184 I185A154-L181 HydrophobicContact CB-CD1 3.99Å; A154-L181 HydrophobicContact CB-CD2 3.74Å; A154-L181 HydrophobicContact CB-CG 4.44Å; I157-L181 HydrophobicContact CB-CD2 4.31Å; I157-L181 HydrophobicContact CD1-CD2 4.14Å; I157-L181 HydrophobicContact CG2-CD2 4.1Å; I177-L181 HydrophobicContact CB-CD2 4.45Å; I177-L181 HydrophobicContact CD1-CG 4.34Å; P178-L181 HydrophobicContact CB-CB 4.26Å; P178-L181 WeakPolarHBondContact O-CB 3.32Å; P178-L181 PolarHBondContact O-N 3.19Å; A179-L181 VanDerWaalsContact C-N 3.32Å; A179-L181 PolarHBondContact O-N 3.03Å; L181-A183 VanDerWaalsContact C-N 3.31Å; L181-A183 PolarHBondContact O-N 2.79Å; L181-L184 WeakPolarHBondContact O-CB 3.45Å; L181-L184 PolarHBondContact O-N 3.18Å; L181-I185 HydrophobicContact CD1-CD1 4.03Å; L181-I185 HydrophobicContact CD1-CG1 4.23Å; L181-I185 HydrophobicContact CG-CD1 3.92Å; L181-I185 WeakPolarHBondContact O-CG1 3.34Å; L181-I185 PolarHBondContact O-N 3.37Å
182A97.4Very high96.7Very high0 Ų040.5 Ų40.50%022%0.219CC..Hα-helixtrans-60.4-41.2175.300000112.1L174 I177 P178 A179 I185 T186 A198 T202L174-A182 HydrophobicContact CD1-CB 4.29Å; I177-A182 HydrophobicContact CD1-CB 3.79Å; I177-A182 HydrophobicContact CG1-CB 4.06Å; P178-A182 PolarHBondContact O-N 3.3Å; A179-A182 PolarHBondContact O-N 3.26Å; A182-I185 PolarHBondContact O-N 2.82Å; A182-T186 VanDerWaalsContact O-CB 3.28Å; A182-T186 WeakPolarHBondContact O-CB 3.37Å; A182-T186 PolarHBondContact O-N 2.81Å; A182-T186 PolarHBondContact O-OG1 2.95Å; A182-A198 HydrophobicContact CB-CB 3.89Å; A182-A198 WeakPolarHBondContact CB-O 3.46Å; A182-T202 HydrophobicContact CB-CG2 4.08Å
183A97.5Very high96.7Very high29 Ų2940.5 Ų40.524%0.2422%0.219CC..Hα-helixtrans-61.8-43.9174.800000111.6A179 L181 T186 K187 Q201A179-A183 WeakPolarHBondContact O-CB 3.41Å; A179-A183 PolarHBondContact O-N 3Å; L181-A183 VanDerWaalsContact C-N 3.31Å; L181-A183 PolarHBondContact O-N 2.79Å; A183-T186 PolarHBondContact O-N 3.37Å; A183-K187 WeakPolarHBondContact O-CB 3.49Å; A183-K187 PolarHBondContact O-N 3.37Å; A183-Q201 HydrophobicContact CB-CB 3.59Å; A183-Q201 HydrophobicContact CB-CG 3.91Å
184L97.7Very high96.7Very high79 Ų7940.4 Ų40.441%0.41422%0.218SC..Hα-helixtrans-61.7-48176.6177.863.4000111.9L158 D180 L181 K187 K188L158-L184 HydrophobicContact CD2-CD2 4.24Å; D180-L184 WeakPolarHBondContact O-CB 3.45Å; D180-L184 PolarHBondContact O-N 3.33Å; L181-L184 WeakPolarHBondContact O-CB 3.45Å; L181-L184 PolarHBondContact O-N 3.18Å; L184-K187 PolarHBondContact O-N 3.02Å; L184-K188 HydrophobicContact CD1-CG 4.34Å; L184-K188 VanDerWaalsContact O-CG 3.31Å; L184-K188 WeakPolarHBondContact O-CG 3.47Å; L184-K188 PolarHBondContact O-N 3.49Å; L184-K188 VanDerWaalsContact O-N 3.09Å
185I98Very high96.7Very high0 Ų040.4 Ų40.40%022%0.218CC..Hα-helixtrans-61-49.1178.1-67.3165000109.9I157 L158 A161 L174 I177 L181 A182 K187 K188 L189 T193I157-I185 HydrophobicContact CG2-CD1 3.63Å; L158-I185 HydrophobicContact CB-CG1 4.43Å; L158-I185 HydrophobicContact CD1-CB 4.49Å; L158-I185 HydrophobicContact CD1-CG1 3.78Å; A161-I185 HydrophobicContact CB-CG2 3.75Å; L174-I185 HydrophobicContact CD1-CB 4.18Å; L174-I185 HydrophobicContact CD1-CG2 3.94Å; L174-I185 HydrophobicContact CD2-CD1 4.38Å; L174-I185 HydrophobicContact CD2-CG2 4.24Å; I177-I185 HydrophobicContact CD1-CD1 3.96Å; L181-I185 HydrophobicContact CD1-CD1 4.03Å; L181-I185 HydrophobicContact CD1-CG1 4.23Å; L181-I185 HydrophobicContact CG-CD1 3.92Å; L181-I185 WeakPolarHBondContact O-CG1 3.34Å; L181-I185 PolarHBondContact O-N 3.37Å; A182-I185 PolarHBondContact O-N 2.82Å; I185-K187 VanDerWaalsContact C-N 3.25Å; I185-K187 PolarHBondContact O-N 2.89Å; I185-K188 PolarHBondContact O-N 3.18Å; I185-L189 HydrophobicContact CG2-CD1 3.66Å; I185-L189 HydrophobicContact CG2-CG 4.07Å; I185-L189 WeakPolarHBondContact O-CG 3.24Å; I185-L189 PolarHBondContact O-N 3.3Å; I185-T193 HydrophobicContact CG2-CG2 4.44Å
186T97.8Very high96.6Very high11 Ų1140 Ų407%0.06722%0.217CC..Hα-helixtrans-56.5-39.9-179.9-57.90000112.4K5 A182 A183 T193 D203K5-T186 PolarHBondContact NZ-O 3.09Å; A182-T186 VanDerWaalsContact O-CB 3.28Å; A182-T186 WeakPolarHBondContact O-CB 3.37Å; A182-T186 PolarHBondContact O-N 2.81Å; A182-T186 PolarHBondContact O-OG1 2.95Å; A183-T186 PolarHBondContact O-N 3.37Å; T186-T193 WeakPolarHBondContact CB-OG1 3.42Å; T186-T193 HydrophobicContact CG2-CG2 4.47Å; T186-T193 VanDerWaalsContact CG2-OG1 3.24Å; T186-T193 WeakPolarHBondContact CG2-OG1 3.27Å; T186-T193 PolarHBondContact OG1-OG1 2.84Å; T186-D203 WeakPolarHBondContact CG2-OD1 3.44Å
187K96.9Very high96.5Very high184 Ų18440.2 Ų40.280%0.822%0.221SC*.Hα-helixtrans-70.8-30.4176.5-177.1175.9179.6177.70113.2A183 L184 I185A183-K187 WeakPolarHBondContact O-CB 3.49Å; A183-K187 PolarHBondContact O-N 3.37Å; L184-K187 PolarHBondContact O-N 3.02Å; I185-K187 VanDerWaalsContact C-N 3.25Å; I185-K187 PolarHBondContact O-N 2.89Å
188K97.7Very high96.5Very high129 Ų12940 Ų4056%0.56122%0.22SC*.Hα-helixtrans-82.1-33.8-177.6-76.3-72.9-175.7178.20112.9L158 L184 I185L158-K188 HydrophobicContact CD1-CB 4.36Å; L158-K188 HydrophobicContact CD1-CG 4.38Å; L184-K188 HydrophobicContact CD1-CG 4.34Å; L184-K188 VanDerWaalsContact O-CG 3.31Å; L184-K188 WeakPolarHBondContact O-CG 3.47Å; L184-K188 PolarHBondContact O-N 3.49Å; L184-K188 VanDerWaalsContact O-N 3.09Å; I185-K188 PolarHBondContact O-N 3.18Å
189L97.5Very high96.3Very high6 Ų639.8 Ų39.83%0.03123%0.226CC..  trans-82.4142.9179.1-60.2-179.1000111.7K5 A161 L162 E165 I172 I185 I191 T193K5-L189 WeakPolarHBondContact CE-O 3.37Å; K5-L189 PolarHBondContact NZ-O 3.49Å; A161-L189 HydrophobicContact CB-CD1 4.24Å; L162-L189 HydrophobicContact CD2-CD2 3.94Å; L162-L189 HydrophobicContact CG-CD2 4.46Å; E165-L189 HydrophobicContact CB-CD2 3.97Å; E165-L189 WeakPolarHBondContact OE2-CD2 3.38Å; I172-L189 HydrophobicContact CD1-CD1 3.74Å; I172-L189 HydrophobicContact CG1-CD1 4.48Å; I185-L189 HydrophobicContact CG2-CD1 3.66Å; I185-L189 HydrophobicContact CG2-CG 4.07Å; I185-L189 WeakPolarHBondContact O-CG 3.24Å; I185-L189 PolarHBondContact O-N 3.3Å; L189-I191 HydrophobicContact CB-CG1 4.29Å; L189-I191 HydrophobicContact CD1-CG1 4.42Å; L189-T193 HydrophobicContact CD1-CG2 3.89Å
190T97.1Very high96.1Very high97 Ų9743.6 Ų43.660%0.59524%0.24SC*.SBendtrans-83.2-26.4171.166.40000112.1Q2 K5 E165Q2-T190 PolarHBondContact NE2-O 3.13Å; K5-T190 VanDerWaalsContact CD-O 3.31Å; K5-T190 WeakPolarHBondContact CD-O 3.33Å; K5-T190 VanDerWaalsContact CE-O 3.28Å; K5-T190 WeakPolarHBondContact CE-O 3.38Å; E165-T190 WeakPolarHBondContact OE1-CA 3.46Å; E165-T190 WeakPolarHBondContact OE1-CB 3.03Å; E165-T190 PolarHBondContact OE1-N 2.96Å; E165-T190 PolarHBondContact OE1-OG1 3.47Å
191I98Very high96.1Very high15 Ų1542 Ų428%0.07723%0.228CC..SBendtrans-84.2152.2175.263.9178000113.1K5 E165 A169 I172 L189K5-I191 PolarHBondContact NZ-O 3.46Å; E165-I191 HydrophobicContact CB-CD1 3.76Å; E165-I191 HydrophobicContact CB-CG1 4.29Å; E165-I191 HydrophobicContact CG-CD1 3.94Å; E165-I191 HydrophobicContact CG-CG1 4.11Å; E165-I191 HydrophobicContact CG-CG2 4.32Å; E165-I191 PolarHBondContact OE1-N 3.47Å; E165-I191 VanDerWaalsContact OE1-N 3.11Å; A169-I191 HydrophobicContact CB-CD1 4.36Å; A169-I191 VanDerWaalsContact O-CD1 3.26Å; A169-I191 WeakPolarHBondContact O-CD1 3.37Å; I172-I191 HydrophobicContact CD1-CD1 4.01Å; I172-I191 HydrophobicContact CG1-CD1 3.78Å; L189-I191 HydrophobicContact CB-CG1 4.29Å; L189-I191 HydrophobicContact CD1-CG1 4.42Å
192P98.3Very high96.1Very high0 Ų041.4 Ų41.40%023%0.225CC..  trans-55.8136.6176.4-27.933.6000115.1M1 Q2 K5 I11 F170 A171 I172 D203M1-P192 HydrophobicContact CB-CG 4.09Å; Q2-P192 VanDerWaalsContact OE1-CD 3.3Å; K5-P192 HydrophobicContact CB-CG 4.03Å; K5-P192 HydrophobicContact CD-CG 4.22Å; I11-P192 HydrophobicContact CD1-CB 3.78Å; I11-P192 HydrophobicContact CD1-CG 4.21Å; F170-P192 WeakPolarHBondContact O-CD 3.26Å; A171-P192 CarbonylContact C-O 3.54Å; A171-P192 VanDerWaalsContact CA-O 3.24Å; A171-P192 WeakPolarHBondContact CA-O 3.48Å; A171-P192 HydrophobicContact CB-CB 4.29Å; I172-P192 PolarHBondContact N-O 2.98Å; P192-D203 WeakPolarHBondContact CA-OD2 3.41Å; P192-D203 HydrophobicContact CB-CB 4.48Å
193T98.5Very high96.2Very high0 Ų042.7 Ų42.70%023%0.232CC..EExtended strand (participates in β ladder)trans-104.6134.916761.70000111.5I172 L174 I185 T186 L189 D203 G204I172-T193 CarbonylContact O-C 3.51Å; I172-T193 VanDerWaalsContact O-CA 3.29Å; I172-T193 WeakPolarHBondContact O-CA 3.24Å; L174-T193 HydrophobicContact CD1-CG2 3.97Å; I185-T193 HydrophobicContact CG2-CG2 4.44Å; T186-T193 WeakPolarHBondContact CB-OG1 3.42Å; T186-T193 HydrophobicContact CG2-CG2 4.47Å; T186-T193 VanDerWaalsContact CG2-OG1 3.24Å; T186-T193 WeakPolarHBondContact CG2-OG1 3.27Å; T186-T193 PolarHBondContact OG1-OG1 2.84Å; L189-T193 HydrophobicContact CD1-CG2 3.89Å; T193-D203 PolarHBondContact N-OD2 2.94Å; T193-D203 CarbonylContact O-C 3.58Å; T193-D203 WeakPolarHBondContact O-CA 3.44Å; T193-D203 WeakPolarHBondContact O-CB 3.49Å; T193-D203 PolarHBondContact O-N 3.07Å; T193-D203 PolarHBondContact OG1-N 3.11Å; T193-D203 PolarHBondContact OG1-OD2 3.08Å; T193-G204 PolarHBondContact O-N 3.2Å
194I98.2Very high96.2Very high0 Ų041.5 Ų41.50%022%0.222CC..EExtended strand (participates in β ladder)trans-114116.3177.3-51.6-60000108.2I11 M13 I172 V173 L174 V206I11-I194 HydrophobicContact CB-CD1 3.98Å; I11-I194 HydrophobicContact CD1-CD1 4.11Å; I11-I194 HydrophobicContact CG2-CD1 3.87Å; M13-I194 HydrophobicContact CB-CG2 4.48Å; M13-I194 HydrophobicContact CE-CG1 4.26Å; M13-I194 HydrophobicContact CE-CG2 4.46Å; M13-I194 HydrophobicContact SD-CG2 4.2Å; I172-I194 PolarHBondContact O-N 3.18Å; V173-I194 CarbonylContact C-O 3.52Å; V173-I194 VanDerWaalsContact CA-O 3.27Å; V173-I194 WeakPolarHBondContact CA-O 3.39Å; V173-I194 HydrophobicContact CG2-CB 4.31Å; L174-I194 PolarHBondContact N-O 2.91Å; I194-V206 HydrophobicContact CG2-CB 3.81Å; I194-V206 HydrophobicContact CG2-CG1 3.96Å
195G96.8Very high96.1Very high1 Ų141.6 Ų41.61%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-88.3143.3-177.600000113.2T202 G204 Q205 V206G195-T202 PolarHBondContact N-OG1 3.11Å; G195-G204 PolarHBondContact N-O 2.91Å; G195-Q205 WeakPolarHBondContact O-CA 3.45Å; G195-Q205 WeakPolarHBondContact O-CG 3.28Å; G195-V206 PolarHBondContact O-N 3.38Å
196I94.3Very high96.1Very high22 Ų2241.8 Ų41.811%0.11322%0.222CC..EExtended strand (participates in β ladder)trans-138.7107162.2175.9168.8000108.4V173 L174 E175 A176 A198 V206 F223V173-I196 HydrophobicContact CG1-CG2 3.85Å; L174-I196 PolarHBondContact O-N 2.76Å; E175-I196 WeakPolarHBondContact CA-O 3.37Å; E175-I196 HydrophobicContact CB-CG2 3.63Å; E175-I196 HydrophobicContact CG-CG2 3.73Å; A176-I196 PolarHBondContact N-O 2.99Å; I196-A198 VanDerWaalsContact C-N 3.26Å; I196-A198 PolarHBondContact O-N 3.29Å; I196-V206 HydrophobicContact CB-CG1 3.71Å; I196-V206 HydrophobicContact CD1-CG1 4.32Å; I196-V206 HydrophobicContact CG2-CG1 3.9Å; I196-F223 HydrophobicContact CG1-CE2 4.19Å; I196-F223 HydrophobicContact CG1-CZ 3.95Å
197G90.5Very high95.8Very high22 Ų2242.9 Ų42.923%0.22723%0.227CC..SBendtrans65.226.9-168.500000114.3F223G197-F223 VanDerWaalsContact CA-CD1 3.47Å
198A92.6Very high95.6Very high1 Ų135.3 Ų35.31%0.00820%0.196CC..SBendtrans-115.721.4-177.900000114L174 I177 A182 I196 T202L174-A198 HydrophobicContact CB-CB 4.13Å; L174-A198 VanDerWaalsContact O-CB 3.26Å; L174-A198 WeakPolarHBondContact O-CB 3.33Å; I177-A198 HydrophobicContact CG1-CB 3.8Å; A182-A198 HydrophobicContact CB-CB 3.89Å; A182-A198 WeakPolarHBondContact CB-O 3.46Å; I196-A198 VanDerWaalsContact C-N 3.26Å; I196-A198 PolarHBondContact O-N 3.29Å; A198-T202 HydrophobicContact CB-CG2 4.38Å
199G89.7Confident95.2Very high39 Ų3930.3 Ų30.340%0.40217%0.174SC..  trans79.5-172.5-17600000113.6
200N91.3Very high94.7Very high122 Ų12230.1 Ų30.165%0.65217%0.173SC*.SBendtrans-103.83.4-173.766.8-4.3000114.2K10K10-N200 PolarHBondContact NZ-O 3.04Å
201Q95.8Very high94Very high109 Ų10927.7 Ų27.751%0.50916%0.157SC..  trans-89-10.1-175.4-62.2-60.9-54.200113.1A183A183-Q201 HydrophobicContact CB-CB 3.59Å; A183-Q201 HydrophobicContact CB-CG 3.91Å
202T97.4Very high93.2Very high4 Ų429.8 Ų29.83%0.02517%0.167CC..SBendtrans-65.8153.9172.4520000111.7K10 L174 A182 G195 A198 G204K10-T202 PolarHBondContact NZ-O 3.29Å; L174-T202 HydrophobicContact CD1-CG2 4.19Å; A182-T202 HydrophobicContact CB-CG2 4.08Å; G195-T202 PolarHBondContact N-OG1 3.11Å; A198-T202 HydrophobicContact CB-CG2 4.38Å; T202-G204 WeakPolarHBondContact CB-O 3.24Å; T202-G204 PolarHBondContact O-N 3.38Å; T202-G204 PolarHBondContact OG1-O 3.13Å
203D98.1Very high92.4Very high27 Ų2732.6 Ų32.614%0.14418%0.181CC..SBendtrans-65-27.8-178.2-59.4-51.6000112.5K5 K10 I11 T186 P192 T193K5-D203 WeakPolarHBondContact CD-OD2 3.4Å; K5-D203 WeakPolarHBondContact CE-OD2 3.38Å; K5-D203 IonicContact NZ-OD1 3.72Å; K5-D203 IonicContact NZ-OD2 3.21Å; K5-D203 PolarHBondContact NZ-OD2 3.15Å; K10-D203 VanDerWaalsContact CA-O 3.31Å; K10-D203 WeakPolarHBondContact CA-O 3.31Å; K10-D203 WeakPolarHBondContact CD-O 3.45Å; I11-D203 HydrophobicContact CD1-CB 4.48Å; I11-D203 PolarHBondContact N-O 3.22Å; T186-D203 WeakPolarHBondContact CG2-OD1 3.44Å; P192-D203 WeakPolarHBondContact CA-OD2 3.41Å; P192-D203 HydrophobicContact CB-CB 4.48Å; T193-D203 PolarHBondContact N-OD2 2.94Å; T193-D203 CarbonylContact O-C 3.58Å; T193-D203 WeakPolarHBondContact O-CA 3.44Å; T193-D203 WeakPolarHBondContact O-CB 3.49Å; T193-D203 PolarHBondContact O-N 3.07Å; T193-D203 PolarHBondContact OG1-N 3.11Å; T193-D203 PolarHBondContact OG1-OD2 3.08Å
204G97.1Very high91.1Very high3 Ų332.7 Ų32.73%0.03118%0.182CC..EExtended strand (participates in β ladder)trans-142.6-178.8172.700000113.4I11 T193 G195 T202I11-G204 CarbonylContact O-C 3.56Å; I11-G204 WeakPolarHBondContact O-CA 3.33Å; T193-G204 PolarHBondContact O-N 3.2Å; G195-G204 PolarHBondContact N-O 2.91Å; T202-G204 WeakPolarHBondContact CB-O 3.24Å; T202-G204 PolarHBondContact O-N 3.38Å; T202-G204 PolarHBondContact OG1-O 3.13Å
205Q96.9Very high89.8Confident81 Ų8136.4 Ų36.438%0.37920%0.201SC..EExtended strand (participates in β ladder)trans-138.4137.5174.8-173.2175.623.800110.1I11 M13 G195 L207I11-Q205 PolarHBondContact O-N 3.44Å; M13-Q205 PolarHBondContact N-O 2.92Å; G195-Q205 WeakPolarHBondContact O-CA 3.45Å; G195-Q205 WeakPolarHBondContact O-CG 3.28Å; Q205-L207 HydrophobicContact CG-CD2 4.29Å; Q205-L207 HydrophobicContact CG-CG 4.37Å
206V96.6Very high88.3Confident4 Ų441.6 Ų41.62%0.02422%0.221CC..EExtended strand (participates in β ladder)trans-105.4135.8167.662.70000110.1M13 L34 V173 I194 G195 I196M13-V206 HydrophobicContact CB-CB 3.91Å; M13-V206 HydrophobicContact CB-CG2 4.07Å; M13-V206 HydrophobicContact CG-CB 3.97Å; M13-V206 HydrophobicContact CG-CG2 3.68Å; M13-V206 VanDerWaalsContact O-CA 3.32Å; M13-V206 WeakPolarHBondContact O-CA 3.42Å; M13-V206 HydrophobicContact SD-CB 3.74Å; M13-V206 HydrophobicContact SD-CG2 3.67Å; L34-V206 HydrophobicContact CD2-CG2 4.16Å; V173-V206 HydrophobicContact CG1-CG1 4.49Å; I194-V206 HydrophobicContact CG2-CB 3.81Å; I194-V206 HydrophobicContact CG2-CG1 3.96Å; G195-V206 PolarHBondContact O-N 3.38Å; I196-V206 HydrophobicContact CB-CG1 3.71Å; I196-V206 HydrophobicContact CD1-CG1 4.32Å; I196-V206 HydrophobicContact CG2-CG1 3.9Å
207L92.8Very high86.2Confident34 Ų3443.7 Ų43.718%0.17825%0.248CC..EExtended strand (participates in β ladder)trans-125.8143.2173.1-62.9175.3000110.5M13 L14 T15 Q205 Y209 F223M13-L207 PolarHBondContact O-N 3.05Å; M13-L207 VanDerWaalsContact O-N 3.16Å; L14-L207 WeakPolarHBondContact CA-O 3.32Å; L14-L207 HydrophobicContact CD2-CB 3.87Å; T15-L207 PolarHBondContact N-O 3.32Å; Q205-L207 HydrophobicContact CG-CD2 4.29Å; Q205-L207 HydrophobicContact CG-CG 4.37Å; L207-Y209 PolarHBondContact O-N 2.88Å; L207-F223 HydrophobicContact CD2-CD2 4.28Å; L207-F223 HydrophobicContact CD2-CE2 4.2Å
208V91.8Very high84.2Confident26 Ų2652 Ų5216%0.15828%0.28CS..  trans-74.8118.7166.7-1780000107.9T15 Q210 D211 M212T15-V208 HydrophobicContact CG2-CG2 4.08Å; T15-V208 WeakPolarHBondContact OG1-CA 3.33Å; V208-Q210 VanDerWaalsContact C-N 3.29Å; V208-Q210 HydrophobicContact CG1-CB 4.48Å; V208-Q210 VanDerWaalsContact CG1-OE1 3.31Å; V208-Q210 PolarHBondContact O-N 3.49Å; V208-D211 HydrophobicContact CB-CB 4.29Å; V208-D211 PolarHBondContact O-N 3.39Å; V208-M212 PolarHBondContact O-N 3.28Å
209Y90.2Very high82.1Confident23 Ų2359.6 Ų59.69%0.0932%0.318CS..Hα-helixtrans-68.3-29.5-170.685.3-85.3000112.8T15 Y17 T21 M25 L207 D211 M212 L213T15-Y209 WeakPolarHBondContact O-CD1 3.44Å; T15-Y209 PolarHBondContact OG1-N 2.76Å; Y17-Y209 AromaticContact CD2-CE1 3.8Å; Y17-Y209 HydrophobicContact CD2-CE1 3.8Å; Y17-Y209 HydrophobicContact CE2-CD1 4.46Å; Y17-Y209 HydrophobicContact CE2-CE1 4.04Å; T21-Y209 HydrophobicContact CG2-CD1 4.44Å; T21-Y209 HydrophobicContact CG2-CD2 4.24Å; T21-Y209 HydrophobicContact CG2-CE1 4.14Å; T21-Y209 HydrophobicContact CG2-CE2 3.96Å; T21-Y209 HydrophobicContact CG2-CG 4.49Å; M25-Y209 HydrophobicContact CE-CD1 3.82Å; M25-Y209 HydrophobicContact CE-CD2 3.95Å; M25-Y209 HydrophobicContact CE-CG 3.42Å; M25-Y209 VanDerWaalsContact CE-CG 3.42Å; L207-Y209 PolarHBondContact O-N 2.88Å; Y209-D211 VanDerWaalsContact C-N 3.32Å; Y209-D211 PolarHBondContact O-N 2.89Å; Y209-M212 WeakPolarHBondContact O-CB 3.28Å; Y209-M212 PolarHBondContact O-N 3.03Å; Y209-L213 HydrophobicContact CD2-CD1 3.74Å; Y209-L213 HydrophobicContact CD2-CG 4.49Å; Y209-L213 HydrophobicContact CE2-CD1 4.14Å; Y209-L213 WeakPolarHBondContact O-CB 3.34Å; Y209-L213 VanDerWaalsContact O-CG 3.31Å; Y209-L213 WeakPolarHBondContact O-CG 3.47Å; Y209-L213 PolarHBondContact O-N 3.4Å
210Q87.7Confident80.2Confident2 Ų261.5 Ų61.51%0.00932%0.316CS..Hα-helixtrans-63.2-40.2174.8-64.692.1-24.300111.7Y17 V208 L213 G214 M215 Y216Y17-Q210 VanDerWaalsContact CD2-NE2 3.34Å; Y17-Q210 VanDerWaalsContact CE2-NE2 3.28Å; V208-Q210 VanDerWaalsContact C-N 3.29Å; V208-Q210 HydrophobicContact CG1-CB 4.48Å; V208-Q210 VanDerWaalsContact CG1-OE1 3.31Å; V208-Q210 PolarHBondContact O-N 3.49Å; Q210-L213 PolarHBondContact O-N 3.43Å; Q210-G214 PolarHBondContact O-N 3.43Å; Q210-M215 HydrophobicContact CB-CB 4.32Å; Q210-M215 HydrophobicContact CB-SD 4.01Å; Q210-M215 HydrophobicContact CG-SD 3.79Å; Q210-M215 PolarHBondContact O-N 3.01Å; Q210-Y216 HydrophobicContact CB-CD2 4.12Å; Q210-Y216 HydrophobicContact CB-CE2 3.56Å; Q210-Y216 HydrophobicContact CG-CE2 4.02Å
211D81.8Confident78.3Confident47 Ų4757.2 Ų57.225%0.25130%0.295SS..Hα-helixtrans-66.8-42.8173.9-65-14.2000110.6V208 Y209 L213 G214 P221V208-D211 HydrophobicContact CB-CB 4.29Å; V208-D211 PolarHBondContact O-N 3.39Å; Y209-D211 VanDerWaalsContact C-N 3.32Å; Y209-D211 PolarHBondContact O-N 2.89Å; D211-L213 VanDerWaalsContact C-N 3.26Å; D211-L213 PolarHBondContact O-N 3.27Å; D211-G214 WeakPolarHBondContact O-CA 3.27Å; D211-G214 PolarHBondContact O-N 3.27Å; D211-P221 HydrophobicContact CB-CG 4.32Å
212M81.7Confident76.2Confident58 Ų5862.3 Ų62.329%0.28632%0.316SS..Hα-helixtrans-59-36.2176-174.8-172.971.600112.4L14 V208 Y209 G214 Y224L14-M212 HydrophobicContact CD1-CE 4.26Å; L14-M212 HydrophobicContact CD2-SD 4.03Å; V208-M212 PolarHBondContact O-N 3.28Å; Y209-M212 WeakPolarHBondContact O-CB 3.28Å; Y209-M212 PolarHBondContact O-N 3.03Å; M212-G214 VanDerWaalsContact C-N 3.3Å; M212-Y224 HydrophobicContact CB-CE2 4.29Å; M212-Y224 HydrophobicContact CG-CE2 3.87Å; M212-Y224 VanDerWaalsContact O-CZ 3.31Å; M212-Y224 PolarHBondContact O-OH 2.91Å
213L80.5Confident74.2Confident60 Ų6066.4 Ų66.431%0.31433%0.333SS..THydrogen-bonded Turntrans-84.8-4.6175.5-66.4178000112.9Y209 Q210 D211 M215 I232Y209-L213 HydrophobicContact CD2-CD1 3.74Å; Y209-L213 HydrophobicContact CD2-CG 4.49Å; Y209-L213 HydrophobicContact CE2-CD1 4.14Å; Y209-L213 WeakPolarHBondContact O-CB 3.34Å; Y209-L213 VanDerWaalsContact O-CG 3.31Å; Y209-L213 WeakPolarHBondContact O-CG 3.47Å; Y209-L213 PolarHBondContact O-N 3.4Å; Q210-L213 PolarHBondContact O-N 3.43Å; D211-L213 VanDerWaalsContact C-N 3.26Å; D211-L213 PolarHBondContact O-N 3.27Å; L213-M215 VanDerWaalsContact C-N 3.32Å; L213-M215 HydrophobicContact CB-CG 3.99Å; L213-M215 HydrophobicContact CD1-SD 4.37Å; L213-M215 PolarHBondContact O-N 2.75Å; L213-I232 HydrophobicContact CB-CD1 4.05Å; L213-I232 HydrophobicContact CB-CG1 4.4Å; L213-I232 HydrophobicContact CD1-CD1 3.92Å; L213-I232 HydrophobicContact CD2-CD1 4.24Å; L213-I232 HydrophobicContact CG-CD1 4.3Å; L213-I232 PolarHBondContact O-N 3.41Å
214G70.3Confident72Confident2 Ų267.7 Ų67.72%0.02134%0.336CS..THydrogen-bonded Turntrans53.945.5-174.800000112.7Q210 D211 M212 Y216 G233Q210-G214 PolarHBondContact O-N 3.43Å; D211-G214 WeakPolarHBondContact O-CA 3.27Å; D211-G214 PolarHBondContact O-N 3.27Å; M212-G214 VanDerWaalsContact C-N 3.3Å; G214-Y216 VanDerWaalsContact C-N 3.34Å; G214-G233 WeakPolarHBondContact O-CA 3.28Å; G214-G233 PolarHBondContact O-N 3.25Å
215M72.8Confident69.6Low78 Ų7878.5 Ų78.538%0.38438%0.376SS..  trans-68.7-32.9179.2-69.8179.663.300112.4Q210 L213Q210-M215 HydrophobicContact CB-CB 4.32Å; Q210-M215 HydrophobicContact CB-SD 4.01Å; Q210-M215 HydrophobicContact CG-SD 3.79Å; Q210-M215 PolarHBondContact O-N 3.01Å; L213-M215 VanDerWaalsContact C-N 3.32Å; L213-M215 HydrophobicContact CB-CG 3.99Å; L213-M215 HydrophobicContact CD1-SD 4.37Å; L213-M215 PolarHBondContact O-N 2.75Å
216Y64.2Low67.1Low109 Ų10978.8 Ų78.843%0.42738%0.384SS..SBendtrans-108.189.3179-49.7-71000109.1V42 Q210 G214 E218V42-Y216 HydrophobicContact CG1-CE2 4.42Å; V42-Y216 PolarHBondContact O-OH 3.42Å; V42-Y216 VanDerWaalsContact O-OH 3.13Å; Q210-Y216 HydrophobicContact CB-CD2 4.12Å; Q210-Y216 HydrophobicContact CB-CE2 3.56Å; Q210-Y216 HydrophobicContact CG-CE2 4.02Å; G214-Y216 VanDerWaalsContact C-N 3.34Å; Y216-E218 PolarHBondContact O-N 3.41Å
217G50.4Low64.6Low66 Ų6680.6 Ų80.668%0.6840%0.403SS*.THydrogen-bonded Turntrans-62-2.2-170.200000116.9
218E48.8Very low62.1Low196 Ų19687.3 Ų87.392%0.91644%0.439SS*.THydrogen-bonded Turntrans-92.7-20.8-171.3-64.6-167.5165.700114.6Y216Y216-E218 PolarHBondContact O-N 3.41Å
219M47.7Very low59.8Low162 Ų16293.7 Ų93.780%0.79847%0.467SS*.  trans-15196.5-179.4-149.4-177.2-73.800111.5
220Q50Low57.4Low78 Ų78101 Ų10136%0.36449%0.494SS..  trans-85126.8170.7-69.1-137.3-23.200110.5K222 Y224Q220-K222 PolarHBondContact O-N 3.26Å; Q220-Y224 VanDerWaalsContact OE1-CD1 3.27Å
221P51.2Low55.4Low32 Ų32101.6 Ų101.621%0.20850%0.498CS..  trans-60.3134.3175.6-20.430.3000111.2D211 F223 Y224D211-P221 HydrophobicContact CB-CG 4.32Å; P221-F223 HydrophobicContact CB-CD1 4.01Å; P221-F223 HydrophobicContact CB-CD2 4.21Å; P221-F223 HydrophobicContact CB-CE1 3.49Å; P221-F223 VanDerWaalsContact CB-CE1 3.49Å; P221-F223 HydrophobicContact CB-CE2 3.71Å; P221-F223 HydrophobicContact CB-CG 4.36Å; P221-F223 HydrophobicContact CB-CZ 3.32Å; P221-F223 HydrophobicContact CG-CE2 4.4Å; P221-F223 HydrophobicContact CG-CZ 4.09Å; P221-F223 PolarHBondContact O-N 3.33Å; P221-Y224 PolarHBondContact O-N 3.36Å
222K51.8Low53.8Low216 Ų216103.2 Ų103.294%0.93951%0.506SS*.THydrogen-bonded Turntrans-55.2-19.9-174.5-70.1-175.4178-179.50115.2Q220Q220-K222 PolarHBondContact O-N 3.26Å
223F56Low52.2Low90 Ų90101.3 Ų101.340%0.39550%0.501SS..THydrogen-bonded Turntrans-89-4.7-177.548.6-97.7000113.8I196 G197 L207 P221I196-F223 HydrophobicContact CG1-CE2 4.19Å; I196-F223 HydrophobicContact CG1-CZ 3.95Å; G197-F223 VanDerWaalsContact CA-CD1 3.47Å; L207-F223 HydrophobicContact CD2-CD2 4.28Å; L207-F223 HydrophobicContact CD2-CE2 4.2Å; P221-F223 HydrophobicContact CB-CD1 4.01Å; P221-F223 HydrophobicContact CB-CD2 4.21Å; P221-F223 HydrophobicContact CB-CE1 3.49Å; P221-F223 VanDerWaalsContact CB-CE1 3.49Å; P221-F223 HydrophobicContact CB-CE2 3.71Å; P221-F223 HydrophobicContact CB-CG 4.36Å; P221-F223 HydrophobicContact CB-CZ 3.32Å; P221-F223 HydrophobicContact CG-CE2 4.4Å; P221-F223 HydrophobicContact CG-CZ 4.09Å; P221-F223 PolarHBondContact O-N 3.33Å
224Y50.8Low50.6Low54 Ų54102.3 Ų102.321%0.21250%0.504CS..  trans-87133.6173.5179-104.1000111.2M212 Q220 P221 T226M212-Y224 HydrophobicContact CB-CE2 4.29Å; M212-Y224 HydrophobicContact CG-CE2 3.87Å; M212-Y224 VanDerWaalsContact O-CZ 3.31Å; M212-Y224 PolarHBondContact O-OH 2.91Å; Q220-Y224 VanDerWaalsContact OE1-CD1 3.27Å; P221-Y224 PolarHBondContact O-N 3.36Å; Y224-T226 HydrophobicContact CE1-CG2 3.88Å
225R47Very low49.3Very low231 Ų231111.7 Ų111.787%0.87254%0.539SS*.  trans-105.5117.7167.7-72.3-176.8-176.8175.51107.9G227R225-G227 PolarHBondContact O-N 3.4Å
226T44.3Very low47.8Very low87 Ų87114.4 Ų114.453%0.53456%0.555SS.*  trans-58.2109.5169.9-0.10000108.5Y224Y224-T226 HydrophobicContact CE1-CG2 3.88Å
227G44.9Very low47.3Very low41 Ų41113.6 Ų113.642%0.42355%0.554SS.*  trans-65.8173.4159.700000109.9R225 H229R225-G227 PolarHBondContact O-N 3.4Å; G227-H229 PolarHBondContact O-N 2.95Å
228N40.7Very low48.1Very low175 Ų175116.6 Ų116.694%0.93656%0.559SS**SBendtrans-61.110.1178.4-72.1-13000115.4
229H43.1Very low49.9Very low160 Ų160108.6 Ų108.674%0.74152%0.522SS*.SBendtrans-88.6116.8178.3-64.789000109.2G227 S231G227-H229 PolarHBondContact O-N 2.95Å; H229-S231 PolarHBondContact O-N 3.16Å
230R40.3Very low52Low178 Ų178105.7 Ų105.767%0.67251%0.505SS*.PPolyproline II helixtrans-50.9124.4171.1-70.9177.4174.4166.8-3.9108.8
231S45.9Very low54.2Low13 Ų13104.2 Ų104.29%0.09150%0.502CS..PPolyproline II helixtrans-63.3148.6179.188.50000109.7H229 G233 E234H229-S231 PolarHBondContact O-N 3.16Å; S231-G233 VanDerWaalsContact C-N 3.25Å; S231-G233 PolarHBondContact O-N 3.01Å; S231-E234 PolarHBondContact N-OE2 2.99Å; S231-E234 VanDerWaalsContact N-OE2 3.17Å; S231-E234 WeakPolarHBondContact O-CB 3.43Å; S231-E234 PolarHBondContact O-N 3.48Å; S231-E234 VanDerWaalsContact OG-CB 3.27Å; S231-E234 WeakPolarHBondContact OG-CB 3.4Å; S231-E234 WeakPolarHBondContact OG-CG 3.47Å; S231-E234 PolarHBondContact OG-N 3.1Å
232I48.5Very low56.4Low82 Ų82102.8 Ų102.842%0.42149%0.492SS..THydrogen-bonded Turntrans-64.2-38.8179-63179.8000109.4L213 E234 R235L213-I232 HydrophobicContact CB-CD1 4.05Å; L213-I232 HydrophobicContact CB-CG1 4.4Å; L213-I232 HydrophobicContact CD1-CD1 3.92Å; L213-I232 HydrophobicContact CD2-CD1 4.24Å; L213-I232 HydrophobicContact CG-CD1 4.3Å; L213-I232 PolarHBondContact O-N 3.41Å; I232-E234 VanDerWaalsContact C-N 3.29Å; I232-E234 PolarHBondContact O-N 2.85Å; I232-R235 PolarHBondContact O-N 2.77Å
233G47.4Very low58.5Low17 Ų1797.6 Ų97.618%0.17547%0.47CS..G310 helixtrans-65-28.6174.600000113.6G214 S231 R235 N236G214-G233 WeakPolarHBondContact O-CA 3.28Å; G214-G233 PolarHBondContact O-N 3.25Å; S231-G233 VanDerWaalsContact C-N 3.25Å; S231-G233 PolarHBondContact O-N 3.01Å; G233-R235 PolarHBondContact O-N 3.34Å; G233-N236 CarbonylContact O-C 3.6Å; G233-N236 WeakPolarHBondContact O-CA 3.32Å; G233-N236 PolarHBondContact O-N 3.37Å
234E45.8Very low60.6Low82 Ų8295.7 Ų95.738%0.38347%0.465SS..G310 helixtrans-65.7-19.2175.1-86.9-179.415200113.4S231 I232 K237S231-E234 PolarHBondContact N-OE2 2.99Å; S231-E234 VanDerWaalsContact N-OE2 3.17Å; S231-E234 WeakPolarHBondContact O-CB 3.43Å; S231-E234 PolarHBondContact O-N 3.48Å; S231-E234 VanDerWaalsContact OG-CB 3.27Å; S231-E234 WeakPolarHBondContact OG-CB 3.4Å; S231-E234 WeakPolarHBondContact OG-CG 3.47Å; S231-E234 PolarHBondContact OG-N 3.1Å; I232-E234 VanDerWaalsContact C-N 3.29Å; I232-E234 PolarHBondContact O-N 2.85Å; E234-K237 VanDerWaalsContact O-CG 3.23Å; E234-K237 WeakPolarHBondContact O-CG 3.25Å; E234-K237 PolarHBondContact O-N 2.86Å
235R43.6Very low62.8Low199 Ų19994.2 Ų94.275%0.75146%0.461SS*.G310 helixtrans-72.5-22.1170.6-63.1-169.3-144.2-179.18112.4I232 G233 K237I232-R235 PolarHBondContact O-N 2.77Å; G233-R235 PolarHBondContact O-N 3.34Å; R235-K237 VanDerWaalsContact C-N 3.3Å; R235-K237 PolarHBondContact O-N 3.19Å
236N42.2Very low65.3Low134 Ų13489.6 Ų89.672%0.71745%0.449SS*.G310 helixtrans-95.941.1170.9-73.5-11.1000110.9G233 T238G233-N236 CarbonylContact O-C 3.6Å; G233-N236 WeakPolarHBondContact O-CA 3.32Å; G233-N236 PolarHBondContact O-N 3.37Å; N236-T238 PolarHBondContact O-N 3.47Å
237K54.3Low67.8Low93 Ų9388.8 Ų88.840%0.40444%0.439SS..  trans-59.398.9174.5-94.9173.2-173.8-178.90110E234 R235 L239 H288E234-K237 VanDerWaalsContact O-CG 3.23Å; E234-K237 WeakPolarHBondContact O-CG 3.25Å; E234-K237 PolarHBondContact O-N 2.86Å; R235-K237 VanDerWaalsContact C-N 3.3Å; R235-K237 PolarHBondContact O-N 3.19Å; K237-L239 PolarHBondContact O-N 3.47Å; K237-H288 PolarHBondContact NZ-CE1 2.87Å; K237-H288 VanDerWaalsContact NZ-CE1 3.32Å
238T66.4Low70.3Confident128 Ų12886.8 Ų86.879%0.78542%0.419SS*.PPolyproline II helixtrans-60.6128.2166.2-19.80000107.6N236 K240N236-T238 PolarHBondContact O-N 3.47Å; T238-K240 PolarHBondContact O-N 2.87Å; T238-K240 VanDerWaalsContact O-N 3.15Å
239L86.7Confident73.1Confident28 Ų2884.7 Ų84.715%0.14740%0.398CS..PPolyproline II helixtrans-47.5120.5167.9166.365.6000109.7K237 Q317 C320 V325 I328K237-L239 PolarHBondContact O-N 3.47Å; L239-Q317 HydrophobicContact CD2-CB 4.26Å; L239-Q317 WeakPolarHBondContact CD2-O 3.13Å; L239-C320 HydrophobicContact CD1-CB 4.41Å; L239-C320 HydrophobicContact CD2-CB 3.92Å; L239-V325 HydrophobicContact CD1-CB 4.13Å; L239-V325 HydrophobicContact CD1-CG1 3.83Å; L239-V325 WeakPolarHBondContact CD1-O 3.22Å; L239-I328 HydrophobicContact CD1-CD1 3.86Å; L239-I328 HydrophobicContact CD1-CG1 3.87Å; L239-I328 HydrophobicContact CD2-CD1 3.68Å; L239-I328 HydrophobicContact CG-CD1 4.13Å
240K92Very high75.6Confident101 Ų10181.6 Ų81.644%0.43939%0.387SS..EExtended strand (participates in β ladder)trans-95.2133175.1-168.4-180-179.1-178.40109.9T238 V242 A326 L327 I328T238-K240 PolarHBondContact O-N 2.87Å; T238-K240 VanDerWaalsContact O-N 3.15Å; K240-V242 HydrophobicContact CD-CG1 3.92Å; K240-V242 HydrophobicContact CG-CG1 3.98Å; K240-A326 PolarHBondContact N-O 3.5Å; K240-A326 VanDerWaalsContact N-O 3.14Å; K240-L327 HydrophobicContact CB-CD1 3.91Å; K240-L327 HydrophobicContact CD-CD1 4.26Å; K240-L327 HydrophobicContact CG-CD1 4.2Å; K240-L327 CarbonylContact O-C 3.51Å; K240-L327 WeakPolarHBondContact O-CA 3.28Å; K240-I328 PolarHBondContact O-N 3.15Å
241T95.6Very high78.2Confident48 Ų4875.7 Ų75.729%0.29437%0.367SS..EExtended strand (participates in β ladder)trans-106.2123.3169.6-58.90000108.7Q317 I328 H330T241-Q317 PolarHBondContact OG1-NE2 3.05Å; T241-I328 WeakPolarHBondContact CA-O 3.47Å; T241-I328 HydrophobicContact CG2-CB 4.28Å; T241-I328 HydrophobicContact CG2-CG2 3.98Å; T241-H330 HydrophobicContact CG2-CB 4.1Å
242V96.8Very high80.6Confident2 Ų275.1 Ų75.11%0.01236%0.363CS..EExtended strand (participates in β ladder)trans-121.7153.5179.4-63.20000110.3K240 E247 V248 L327 I328 F329 H330K240-V242 HydrophobicContact CD-CG1 3.92Å; K240-V242 HydrophobicContact CG-CG1 3.98Å; V242-E247 HydrophobicContact CB-CB 3.72Å; V242-E247 HydrophobicContact CB-CG 4.42Å; V242-E247 HydrophobicContact CG1-CB 3.82Å; V242-E247 HydrophobicContact CG1-CG 4.43Å; V242-E247 HydrophobicContact CG2-CB 4.25Å; V242-V248 HydrophobicContact CG2-CG2 3.55Å; V242-L327 HydrophobicContact CB-CD1 4.37Å; V242-L327 HydrophobicContact CG1-CD1 3.75Å; V242-L327 HydrophobicContact CG2-CD1 3.73Å; V242-L327 HydrophobicContact CG2-CD2 4.23Å; V242-L327 HydrophobicContact CG2-CG 4.05Å; V242-I328 WeakPolarHBondContact CG2-O 3.37Å; V242-I328 PolarHBondContact N-O 3.4Å; V242-F329 HydrophobicContact CG2-CD2 4.37Å; V242-H330 PolarHBondContact O-N 3.1Å
243K97.4Very high82.9Confident107 Ų10777.2 Ų77.247%0.46537%0.369SS..  trans-112.8-22.6-175.3-66.2-163.7166.8-153.70113.4E247 P331 E332K243-E247 PolarHBondContact N-OE2 2.93Å; K243-E247 VanDerWaalsContact N-OE2 3.11Å; K243-P331 VanDerWaalsContact O-CA 3.32Å; K243-P331 WeakPolarHBondContact O-CA 3.46Å; K243-E332 IonicContact NZ-OE1 2.71Å; K243-E332 PolarHBondContact NZ-OE1 2.86Å
244T98.3Very high85Confident49 Ų4978.7 Ų78.730%0.30138%0.379SS..SBendtrans-107152.7-175.2730000112.6E246 E247 V248T244-E246 PolarHBondContact O-N 3.22Å; T244-E247 PolarHBondContact N-OE2 3.49Å; T244-E247 PolarHBondContact O-N 3.4Å; T244-E247 VanDerWaalsContact OG1-CG 3.24Å; T244-E247 WeakPolarHBondContact OG1-CG 3.48Å; T244-E247 PolarHBondContact OG1-N 3.27Å; T244-E247 PolarHBondContact OG1-OE2 3Å; T244-E247 VanDerWaalsContact OG1-OE2 3.13Å; T244-V248 PolarHBondContact O-N 3.32Å
245I98.6Very high87.4Confident23 Ų2375.3 Ų75.312%0.11836%0.363CS..Hα-helixtrans-61-35.7173.3-69.6168.7000110.4V248 R249 F329 E335 I376I245-V248 PolarHBondContact O-N 3.45Å; I245-R249 HydrophobicContact CG2-CG 4.24Å; I245-R249 VanDerWaalsContact CG2-CZ 3.5Å; I245-R249 WeakPolarHBondContact O-CB 3.48Å; I245-R249 VanDerWaalsContact O-CG 3.32Å; I245-R249 WeakPolarHBondContact O-CG 3.39Å; I245-R249 PolarHBondContact O-N 3.26Å; I245-F329 HydrophobicContact CG1-CZ 3.86Å; I245-E335 VanDerWaalsContact CB-OE1 3.28Å; I245-E335 WeakPolarHBondContact CB-OE1 3.45Å; I245-E335 HydrophobicContact CD1-CG 4.11Å; I245-E335 WeakPolarHBondContact CD1-O 3.44Å; I245-E335 HydrophobicContact CG1-CG 3.97Å; I245-E335 VanDerWaalsContact CG1-OE1 3.27Å; I245-E335 WeakPolarHBondContact CG1-OE1 3.48Å; I245-E335 PolarHBondContact N-OE1 3.14Å; I245-I376 HydrophobicContact CD1-CD1 3.86Å; I245-I376 HydrophobicContact CD1-CG1 4.33Å; I245-I376 HydrophobicContact CG1-CD1 3.8Å; I245-I376 HydrophobicContact CG1-CG1 4.11Å; I245-I376 HydrophobicContact CG1-CG2 4.39Å; I245-I376 HydrophobicContact CG2-CG1 4.02Å; I245-I376 HydrophobicContact CG2-CG2 4.18Å
246E97.9Very high89.8Confident134 Ų13470.6 Ų70.663%0.62635%0.345SS*.Hα-helixtrans-61.3-47.1178.3-175.2179.2175.300111.6T244 V248 R249 N250T244-E246 PolarHBondContact O-N 3.22Å; E246-V248 VanDerWaalsContact C-N 3.34Å; E246-V248 PolarHBondContact O-N 2.88Å; E246-R249 PolarHBondContact O-N 3.41Å; E246-N250 WeakPolarHBondContact O-CB 3.41Å; E246-N250 VanDerWaalsContact O-CG 3.3Å; E246-N250 PolarHBondContact O-N 3.15Å; E246-N250 PolarHBondContact O-ND2 3.04Å
247E97.7Very high92.1Very high70 Ų7071.3 Ų71.333%0.32734%0.344SS..Hα-helixtrans-60.8-42.7178.3-72174.6108.100112.1V242 K243 T244 Q251V242-E247 HydrophobicContact CB-CB 3.72Å; V242-E247 HydrophobicContact CB-CG 4.42Å; V242-E247 HydrophobicContact CG1-CB 3.82Å; V242-E247 HydrophobicContact CG1-CG 4.43Å; V242-E247 HydrophobicContact CG2-CB 4.25Å; K243-E247 PolarHBondContact N-OE2 2.93Å; K243-E247 VanDerWaalsContact N-OE2 3.11Å; T244-E247 PolarHBondContact N-OE2 3.49Å; T244-E247 PolarHBondContact O-N 3.4Å; T244-E247 VanDerWaalsContact OG1-CG 3.24Å; T244-E247 WeakPolarHBondContact OG1-CG 3.48Å; T244-E247 PolarHBondContact OG1-N 3.27Å; T244-E247 PolarHBondContact OG1-OE2 3Å; T244-E247 VanDerWaalsContact OG1-OE2 3.13Å; E247-Q251 PolarHBondContact O-N 2.75Å; E247-Q251 VanDerWaalsContact O-N 3.16Å
248V98.1Very high93.9Very high0 Ų070 Ų700%035%0.351CS..Hα-helixtrans-62.2-49.1176179.40000110.4V242 T244 I245 E246 N250 Q251 V252 L327 F329 I376 T377V242-V248 HydrophobicContact CG2-CG2 3.55Å; T244-V248 PolarHBondContact O-N 3.32Å; I245-V248 PolarHBondContact O-N 3.45Å; E246-V248 VanDerWaalsContact C-N 3.34Å; E246-V248 PolarHBondContact O-N 2.88Å; V248-N250 VanDerWaalsContact C-N 3.33Å; V248-N250 PolarHBondContact O-N 3.12Å; V248-Q251 PolarHBondContact O-N 2.65Å; V248-Q251 VanDerWaalsContact O-N 3.15Å; V248-V252 HydrophobicContact CG1-CG2 4.04Å; V248-V252 WeakPolarHBondContact O-CB 3.5Å; V248-V252 VanDerWaalsContact O-CG2 3.28Å; V248-V252 WeakPolarHBondContact O-CG2 3.39Å; V248-V252 PolarHBondContact O-N 2.9Å; V248-L327 HydrophobicContact CG1-CD2 4.28Å; V248-L327 HydrophobicContact CG2-CD2 4.35Å; V248-F329 HydrophobicContact CG2-CB 3.93Å; V248-F329 HydrophobicContact CG2-CD1 4.3Å; V248-F329 HydrophobicContact CG2-CD2 3.41Å; V248-F329 VanDerWaalsContact CG2-CD2 3.41Å; V248-F329 HydrophobicContact CG2-CE2 3.91Å; V248-F329 HydrophobicContact CG2-CG 3.63Å; V248-I376 HydrophobicContact CB-CG2 3.96Å; V248-I376 HydrophobicContact CG1-CG2 3.77Å; V248-I376 HydrophobicContact CG2-CG2 4.44Å; V248-T377 HydrophobicContact CG1-CG2 4.09Å
249R98Very high95.2Very high131 Ų13167.2 Ų67.249%0.49435%0.348SS..Hα-helixtrans-63-38.8-178.2-76.4176.4173165.8-1.3112.6I245 E246 Q251 V252 K253I245-R249 HydrophobicContact CG2-CG 4.24Å; I245-R249 VanDerWaalsContact CG2-CZ 3.5Å; I245-R249 WeakPolarHBondContact O-CB 3.48Å; I245-R249 VanDerWaalsContact O-CG 3.32Å; I245-R249 WeakPolarHBondContact O-CG 3.39Å; I245-R249 PolarHBondContact O-N 3.26Å; E246-R249 PolarHBondContact O-N 3.41Å; R249-Q251 VanDerWaalsContact C-N 3.32Å; R249-Q251 PolarHBondContact O-N 3.37Å; R249-V252 PolarHBondContact O-N 2.8Å; R249-K253 VanDerWaalsContact O-CB 3.22Å; R249-K253 WeakPolarHBondContact O-CB 3.32Å; R249-K253 PolarHBondContact O-N 2.99Å
250N95.4Very high95.6Very high94 Ų9468.1 Ų68.150%0.50335%0.351SS..Hα-helixtrans-61.9-42.8175.3-74.7-23.7000111.1E246 V248 A254E246-N250 WeakPolarHBondContact O-CB 3.41Å; E246-N250 VanDerWaalsContact O-CG 3.3Å; E246-N250 PolarHBondContact O-N 3.15Å; E246-N250 PolarHBondContact O-ND2 3.04Å; V248-N250 VanDerWaalsContact C-N 3.33Å; V248-N250 PolarHBondContact O-N 3.12Å; N250-A254 PolarHBondContact O-N 3.35Å
251Q95.2Very high95.9Very high54 Ų5464.6 Ų64.625%0.25234%0.34SS..Hα-helixtrans-67.3-45.9177.4-169.76158.900112.4E247 V248 R249 K253 A254 W255 L327E247-Q251 PolarHBondContact O-N 2.75Å; E247-Q251 VanDerWaalsContact O-N 3.16Å; V248-Q251 PolarHBondContact O-N 2.65Å; V248-Q251 VanDerWaalsContact O-N 3.15Å; R249-Q251 VanDerWaalsContact C-N 3.32Å; R249-Q251 PolarHBondContact O-N 3.37Å; Q251-K253 VanDerWaalsContact C-N 3.34Å; Q251-K253 PolarHBondContact O-N 3.2Å; Q251-A254 PolarHBondContact O-N 2.86Å; Q251-W255 HydrophobicContact CG-CD2 4.08Å; Q251-W255 HydrophobicContact CG-CE3 4.24Å; Q251-W255 HydrophobicContact CG-CH2 3.62Å; Q251-W255 HydrophobicContact CG-CZ2 3.38Å; Q251-W255 HydrophobicContact CG-CZ3 4.04Å; Q251-W255 PolarHBondContact O-N 3.18Å; Q251-W255 VanDerWaalsContact O-N 3.1Å; Q251-L327 HydrophobicContact CB-CD2 4.23Å; Q251-L327 HydrophobicContact CG-CD2 4.21Å
252V96.9Very high96Very high2 Ų262.3 Ų62.31%0.01233%0.326CS..Hα-helixtrans-60.9-43.4177.6167.60000111.1V248 R249 A254 W255 R256 I262 I290 T377 Q378V248-V252 HydrophobicContact CG1-CG2 4.04Å; V248-V252 WeakPolarHBondContact O-CB 3.5Å; V248-V252 VanDerWaalsContact O-CG2 3.28Å; V248-V252 WeakPolarHBondContact O-CG2 3.39Å; V248-V252 PolarHBondContact O-N 2.9Å; R249-V252 PolarHBondContact O-N 2.8Å; V252-A254 VanDerWaalsContact C-N 3.32Å; V252-A254 PolarHBondContact O-N 2.87Å; V252-W255 PolarHBondContact O-N 2.94Å; V252-R256 HydrophobicContact CG1-CG 4.39Å; V252-R256 WeakPolarHBondContact O-CB 3.18Å; V252-R256 WeakPolarHBondContact O-CG 3.35Å; V252-R256 PolarHBondContact O-N 3.45Å; V252-I262 HydrophobicContact CB-CD1 4.42Å; V252-I262 HydrophobicContact CG1-CD1 3.91Å; V252-I262 HydrophobicContact CG2-CD1 4.37Å; V252-I290 HydrophobicContact CG2-CD1 3.85Å; V252-T377 WeakPolarHBondContact CG1-O 3.45Å; V252-T377 VanDerWaalsContact CG2-O 3.24Å; V252-T377 WeakPolarHBondContact CG2-O 3.48Å; V252-Q378 HydrophobicContact CG1-CB 4.04Å
253K96Very high96.1Very high126 Ų12662.2 Ų62.255%0.54833%0.325SS..Hα-helixtrans-58.6-44.5176.7-178.2179.8178.3-177.60111.4R249 Q251 R256 Q257R249-K253 VanDerWaalsContact O-CB 3.22Å; R249-K253 WeakPolarHBondContact O-CB 3.32Å; R249-K253 PolarHBondContact O-N 2.99Å; Q251-K253 VanDerWaalsContact C-N 3.34Å; Q251-K253 PolarHBondContact O-N 3.2Å; K253-R256 PolarHBondContact O-N 2.85Å; K253-Q257 WeakPolarHBondContact O-CB 3.47Å; K253-Q257 VanDerWaalsContact O-CG 3.27Å; K253-Q257 WeakPolarHBondContact O-CG 3.38Å; K253-Q257 PolarHBondContact O-N 3.32Å
254A92.8Very high96.2Very high47 Ų4757.1 Ų57.139%0.38830%0.303SS..Hα-helixtrans-62.4-45.1177.900000111.9N250 Q251 V252 Q257 A258N250-A254 PolarHBondContact O-N 3.35Å; Q251-A254 PolarHBondContact O-N 2.86Å; V252-A254 VanDerWaalsContact C-N 3.32Å; V252-A254 PolarHBondContact O-N 2.87Å; A254-Q257 PolarHBondContact O-N 2.91Å; A254-A258 PolarHBondContact O-N 3.4Å; A254-A258 VanDerWaalsContact O-N 3.15Å
255W95.3Very high96.2Very high12 Ų1254.8 Ų54.85%0.04529%0.289CS..Hα-helixtrans-64-43.4177-64.8-26000112.7Q251 V252 Q257 A258 G259 Q260 I262 H288 I290 A326 L327Q251-W255 HydrophobicContact CG-CD2 4.08Å; Q251-W255 HydrophobicContact CG-CE3 4.24Å; Q251-W255 HydrophobicContact CG-CH2 3.62Å; Q251-W255 HydrophobicContact CG-CZ2 3.38Å; Q251-W255 HydrophobicContact CG-CZ3 4.04Å; Q251-W255 PolarHBondContact O-N 3.18Å; Q251-W255 VanDerWaalsContact O-N 3.1Å; V252-W255 PolarHBondContact O-N 2.94Å; W255-Q257 PolarHBondContact O-N 3.17Å; W255-A258 CarbonylContact O-C 3.58Å; W255-A258 WeakPolarHBondContact O-CB 3.15Å; W255-A258 PolarHBondContact O-N 3.26Å; W255-A258 VanDerWaalsContact O-N 3.12Å; W255-G259 PolarHBondContact O-N 3.22Å; W255-Q260 HydrophobicContact CB-CB 4.38Å; W255-Q260 WeakPolarHBondContact O-CB 3.44Å; W255-Q260 PolarHBondContact O-N 2.97Å; W255-I262 HydrophobicContact CB-CD1 4.18Å; W255-I262 HydrophobicContact CB-CG1 4.43Å; W255-I262 HydrophobicContact CE3-CD1 3.94Å; W255-I262 HydrophobicContact CE3-CG1 4.02Å; W255-H288 AromaticContact CD1-CD2 3.47Å; W255-H288 VanDerWaalsContact CD1-CD2 3.47Å; W255-H288 AromaticContact CD1-NE2 3.36Å; W255-H288 HydrophobicContact CD2-CB 4.01Å; W255-H288 AromaticContact CD2-CD2 3.45Å; W255-H288 VanDerWaalsContact CD2-CD2 3.45Å; W255-H288 AromaticContact CD2-CG 3.68Å; W255-H288 AromaticContact CE2-CD2 3.63Å; W255-H288 AromaticContact CE2-CG 3.53Å; W255-H288 AromaticContact CE2-ND1 3.89Å; W255-H288 AromaticContact CE2-NE2 4Å; W255-H288 HydrophobicContact CE3-CB 3.89Å; W255-H288 AromaticContact CG-CD2 3.35Å; W255-H288 AromaticContact CG-NE2 3.74Å; W255-H288 HydrophobicContact CH2-CB 3.89Å; W255-H288 HydrophobicContact CZ2-CB 4.02Å; W255-H288 AromaticContact CZ2-CG 3.85Å; W255-H288 HydrophobicContact CZ3-CB 3.82Å; W255-H288 AromaticContact NE1-CD2 3.63Å; W255-H288 AromaticContact NE1-CE1 3.76Å; W255-H288 AromaticContact NE1-CG 3.84Å; W255-H288 AromaticContact NE1-ND1 3.91Å; W255-H288 AromaticContact NE1-NE2 3.53Å; W255-I290 HydrophobicContact CH2-CG1 4.23Å; W255-I290 HydrophobicContact CZ3-CD1 3.81Å; W255-I290 HydrophobicContact CZ3-CG1 3.67Å; W255-A326 HydrophobicContact CH2-CB 3.91Å; W255-A326 HydrophobicContact CZ2-CB 3.92Å; W255-L327 HydrophobicContact CH2-CB 3.88Å; W255-L327 HydrophobicContact CH2-CD2 4.36Å
256R93.1Very high96.2Very high99 Ų9954.9 Ų54.937%0.37429%0.291SS..Hα-helixtrans-65.1-38.7176.8-74.3-169.4165.9-78.8-2.6112.4V252 K253 A258 G259 I262 Q378 D380V252-R256 HydrophobicContact CG1-CG 4.39Å; V252-R256 WeakPolarHBondContact O-CB 3.18Å; V252-R256 WeakPolarHBondContact O-CG 3.35Å; V252-R256 PolarHBondContact O-N 3.45Å; K253-R256 PolarHBondContact O-N 2.85Å; R256-A258 PolarHBondContact O-N 3.15Å; R256-G259 PolarHBondContact O-N 2.75Å; R256-I262 HydrophobicContact CG-CD1 4.13Å; R256-Q378 PolarHBondContact NE-O 3.09Å; R256-Q378 PolarHBondContact NH2-O 2.78Å; R256-D380 IonicContact NH1-OD1 2.74Å; R256-D380 IonicContact NH2-OD1 2.89Å; R256-D380 PolarHBondContact NH2-OD1 3.15Å
257Q92.1Very high96.1Very high149 Ų14949 Ų4970%0.69626%0.264SS*.Hα-helixtrans-63-28.1173.6-76.9178-19.600112.7K253 A254 W255 G259K253-Q257 WeakPolarHBondContact O-CB 3.47Å; K253-Q257 VanDerWaalsContact O-CG 3.27Å; K253-Q257 WeakPolarHBondContact O-CG 3.38Å; K253-Q257 PolarHBondContact O-N 3.32Å; A254-Q257 PolarHBondContact O-N 2.91Å; W255-Q257 PolarHBondContact O-N 3.17Å; Q257-G259 VanDerWaalsContact C-N 3.3Å
258A91.1Very high96Very high65 Ų6547.9 Ų47.954%0.53726%0.259SS..THydrogen-bonded Turntrans-84.92.3173.500000113.8A254 W255 R256 Q260A254-A258 PolarHBondContact O-N 3.4Å; A254-A258 VanDerWaalsContact O-N 3.15Å; W255-A258 CarbonylContact O-C 3.58Å; W255-A258 WeakPolarHBondContact O-CB 3.15Å; W255-A258 PolarHBondContact O-N 3.26Å; W255-A258 VanDerWaalsContact O-N 3.12Å; R256-A258 PolarHBondContact O-N 3.15Å; A258-Q260 VanDerWaalsContact C-N 3.27Å; A258-Q260 HydrophobicContact CB-CG 3.95Å; A258-Q260 PolarHBondContact O-N 2.73Å
259G93.2Very high95.8Very high70 Ų7048 Ų4872%0.72226%0.26SS*.THydrogen-bonded Turntrans67.424.8-17800000114W255 R256 Q257W255-G259 PolarHBondContact O-N 3.22Å; R256-G259 PolarHBondContact O-N 2.75Å; Q257-G259 VanDerWaalsContact C-N 3.3Å
260Q95.3Very high95.4Very high47 Ų4742.3 Ų42.322%0.2224%0.241CC..  trans-93.4141.3-175.4-66172.7-3000111.4W255 A258 D287 H288W255-Q260 HydrophobicContact CB-CB 4.38Å; W255-Q260 WeakPolarHBondContact O-CB 3.44Å; W255-Q260 PolarHBondContact O-N 2.97Å; A258-Q260 VanDerWaalsContact C-N 3.27Å; A258-Q260 HydrophobicContact CB-CG 3.95Å; A258-Q260 PolarHBondContact O-N 2.73Å; Q260-D287 HydrophobicContact CB-CB 3.97Å; Q260-D287 HydrophobicContact CG-CB 4.43Å; Q260-H288 VanDerWaalsContact CD-NE2 3.29Å; Q260-H288 PolarHBondContact OE1-NE2 2.96Å
261S98.1Very high95.4Very high28 Ų2838.8 Ų38.820%0.19622%0.222CC..  trans-80.1147.3179.155.60000112.7N286 D287 H288 D380S261-N286 VanDerWaalsContact OG-CA 3.31Å; S261-N286 WeakPolarHBondContact OG-CA 3.43Å; S261-D287 PolarHBondContact N-OD2 2.85Å; S261-D287 PolarHBondContact O-N 2.86Å; S261-D287 PolarHBondContact OG-N 3.13Å; S261-D287 PolarHBondContact OG-OD2 3.36Å; S261-H288 PolarHBondContact O-N 2.85Å; S261-H288 VanDerWaalsContact O-N 3.07Å; S261-D380 WeakPolarHBondContact CA-OD2 3.27Å
262I98.6Very high95.2Very high0 Ų037.9 Ų37.90%022%0.218CC..EExtended strand (participates in β ladder)trans-126.9115.4-174.6-56.1171.9000109.7V252 W255 R256 H288 I290 P379 D380 R381V252-I262 HydrophobicContact CB-CD1 4.42Å; V252-I262 HydrophobicContact CG1-CD1 3.91Å; V252-I262 HydrophobicContact CG2-CD1 4.37Å; W255-I262 HydrophobicContact CB-CD1 4.18Å; W255-I262 HydrophobicContact CB-CG1 4.43Å; W255-I262 HydrophobicContact CE3-CD1 3.94Å; W255-I262 HydrophobicContact CE3-CG1 4.02Å; R256-I262 HydrophobicContact CG-CD1 4.13Å; I262-H288 WeakPolarHBondContact CA-O 3.23Å; I262-I290 HydrophobicContact CG2-CD1 3.69Å; I262-I290 HydrophobicContact CG2-CG1 4.09Å; I262-P379 HydrophobicContact CG2-CB 4.33Å; I262-P379 CarbonylContact O-C 3.49Å; I262-P379 WeakPolarHBondContact O-CA 3.43Å; I262-P379 WeakPolarHBondContact O-CB 3.36Å; I262-D380 PolarHBondContact N-OD2 2.76Å; I262-D380 PolarHBondContact O-N 3.14Å; I262-R381 PolarHBondContact O-N 3.46Å
263G98.7Very high95.1Very high0 Ų042.3 Ų42.30%024%0.239CC..EExtended strand (participates in β ladder)trans-91.6144.216700000111.3N286 H288 V289 I290 R381G263-N286 WeakPolarHBondContact CA-ND2 2.97Å; G263-H288 PolarHBondContact N-O 2.64Å; G263-V289 CarbonylContact O-C 3.32Å; G263-V289 WeakPolarHBondContact O-CA 2.96Å; G263-I290 PolarHBondContact O-N 3.36Å; G263-R381 CarbonylContact C-O 3.59Å; G263-R381 WeakPolarHBondContact CA-O 3.08Å
264F98.8Very high95Very high0 Ų037 Ų370%022%0.219CC..EExtended strand (participates in β ladder)trans-128.4132.8177.2178.9-123.5000112.6P266 I290 S292 L373 T377 P379 R381 V382 Y383F264-P266 HydrophobicContact CE1-CB 3.7Å; F264-P266 HydrophobicContact CE1-CG 4.16Å; F264-P266 HydrophobicContact CZ-CB 3.94Å; F264-I290 WeakPolarHBondContact CA-O 3.44Å; F264-I290 HydrophobicContact CD2-CB 3.92Å; F264-I290 HydrophobicContact CD2-CG2 3.94Å; F264-I290 VanDerWaalsContact CD2-O 3.3Å; F264-I290 WeakPolarHBondContact CD2-O 3.32Å; F264-I290 HydrophobicContact CE2-CG2 4.14Å; F264-S292 WeakPolarHBondContact CZ-OG 3.43Å; F264-L373 HydrophobicContact CE1-CB 3.61Å; F264-L373 HydrophobicContact CE1-CD1 4.28Å; F264-L373 HydrophobicContact CE1-CG 4.43Å; F264-L373 HydrophobicContact CZ-CB 3.73Å; F264-L373 HydrophobicContact CZ-CD1 4.01Å; F264-L373 HydrophobicContact CZ-CD2 4.08Å; F264-L373 HydrophobicContact CZ-CG 4.15Å; F264-T377 HydrophobicContact CD2-CG2 3.97Å; F264-T377 HydrophobicContact CE2-CG2 3.89Å; F264-T377 HydrophobicContact CG-CG2 4.49Å; F264-T377 HydrophobicContact CZ-CG2 4.34Å; F264-P379 HydrophobicContact CB-CB 3.59Å; F264-P379 HydrophobicContact CB-CG 3.78Å; F264-P379 HydrophobicContact CD1-CG 4.49Å; F264-P379 HydrophobicContact CG-CG 4.48Å; F264-R381 PolarHBondContact N-O 2.86Å; F264-V382 HydrophobicContact CB-CG2 4.49Å; F264-V382 HydrophobicContact CD1-CG1 3.95Å; F264-V382 HydrophobicContact CD1-CG2 4.29Å; F264-V382 WeakPolarHBondContact O-CA 2.87Å; F264-Y383 PolarHBondContact O-N 2.92Å
265V98.7Very high95.1Very high0 Ų036.4 Ų36.40%021%0.208CC..EExtended strand (participates in β ladder)trans-117.3104.7173-167.80000109T267 L278 M279 A282 V289 I290 V291 S292V265-T267 HydrophobicContact CG1-CG2 3.82Å; V265-T267 PolarHBondContact O-N 3.19Å; V265-L278 HydrophobicContact CG1-CB 3.68Å; V265-L278 HydrophobicContact CG1-CD1 3.78Å; V265-L278 HydrophobicContact CG1-CG 4.37Å; V265-L278 HydrophobicContact CG2-CB 4.23Å; V265-M279 HydrophobicContact CG2-CG 4.17Å; V265-A282 HydrophobicContact CG2-CB 4.06Å; V265-V289 HydrophobicContact CG2-CG1 4.26Å; V265-I290 PolarHBondContact N-O 3.45Å; V265-V291 HydrophobicContact CB-CG2 4.2Å; V265-V291 WeakPolarHBondContact O-CA 3.43Å; V265-S292 PolarHBondContact O-N 3.14Å
266P98.2Very high95.2Very high25 Ų2540.7 Ų40.716%0.16223%0.225CC..EExtended strand (participates in β ladder)trans-74.7121.1175.927-30.4000110.7F264 S292 L373 V382 F384F264-P266 HydrophobicContact CE1-CB 3.7Å; F264-P266 HydrophobicContact CE1-CG 4.16Å; F264-P266 HydrophobicContact CZ-CB 3.94Å; P266-S292 WeakPolarHBondContact CA-OG 3.38Å; P266-L373 HydrophobicContact CB-CD1 4.31Å; P266-V382 HydrophobicContact CG-CG1 3.93Å; P266-F384 HydrophobicContact CB-CE1 4.43Å; P266-F384 HydrophobicContact CG-CD1 4.02Å; P266-F384 HydrophobicContact CG-CE1 3.31Å; P266-F384 HydrophobicContact CG-CE2 4.27Å; P266-F384 HydrophobicContact CG-CZ 3.46Å; P266-F384 VanDerWaalsContact CG-CZ 3.46Å
267T97Very high95.4Very high10 Ų1037.4 Ų37.46%0.06122%0.216CC..EExtended strand (participates in β ladder)trans-139.1161.717884.60000111.7V265 G269 L271 V291 S292 F294V265-T267 HydrophobicContact CG1-CG2 3.82Å; V265-T267 PolarHBondContact O-N 3.19Å; T267-G269 PolarHBondContact OG1-N 3.32Å; T267-L271 HydrophobicContact CG2-CD2 3.97Å; T267-L271 VanDerWaalsContact OG1-CD2 3.3Å; T267-L271 WeakPolarHBondContact OG1-CD2 3.46Å; T267-V291 HydrophobicContact CG2-CG1 4.08Å; T267-S292 CarbonylContact C-O 3.57Å; T267-S292 WeakPolarHBondContact CA-O 3.3Å; T267-S292 WeakPolarHBondContact CB-O 3.16Å; T267-S292 PolarHBondContact N-O 2.96Å; T267-S292 PolarHBondContact N-OG 2.97Å; T267-S292 CarbonylContact O-C 3.58Å; T267-S292 PolarHBondContact OG1-O 2.64Å; T267-F294 PolarHBondContact O-N 2.9Å
268M94.8Very high95.7Very high47 Ų4730.8 Ų30.823%0.23219%0.186CC..  trans-97.9-0.9174.9-65.6-168.1-82.700113.7F294 V295 Q299 F300 Y309M268-F294 WeakPolarHBondContact CA-O 3.26Å; M268-F294 WeakPolarHBondContact CG-O 3.44Å; M268-V295 HydrophobicContact CB-CG2 4.31Å; M268-V295 VanDerWaalsContact O-CG2 3.25Å; M268-V295 WeakPolarHBondContact O-CG2 3.3Å; M268-V295 HydrophobicContact SD-CG1 4.47Å; M268-Q299 PolarHBondContact SD-NE2 3.35Å; M268-F300 HydrophobicContact CE-CZ 4.21Å; M268-F300 HydrophobicContact SD-CE2 3.87Å; M268-F300 HydrophobicContact SD-CZ 3.8Å; M268-Y309 HydrophobicContact CB-CE1 3.87Å; M268-Y309 HydrophobicContact CE-CE2 3.75Å; M268-Y309 HydrophobicContact SD-CE2 4.27Å
269G93.4Very high96Very high2 Ų227.7 Ų27.72%0.02116%0.16CC..SBendtrans92.3-169.3-166.600000113T267 L271 D316T267-G269 PolarHBondContact OG1-N 3.32Å; G269-L271 VanDerWaalsContact C-N 3.32Å; G269-L271 PolarHBondContact O-N 2.8Å; G269-D316 WeakPolarHBondContact CA-OD2 3.47Å
270A91.3Very high96.2Very high11 Ų1128.3 Ų28.39%0.09114%0.144CC..  trans54.550.1-171.800000111.6Y309 P310 D316A270-Y309 HydrophobicContact CB-CE1 4.23Å; A270-P310 HydrophobicContact CB-CB 3.91Å; A270-P310 HydrophobicContact CB-CG 4.26Å; A270-D316 WeakPolarHBondContact CA-OD1 3.24Å; A270-D316 PolarHBondContact N-OD1 3.29Å; A270-D316 PolarHBondContact N-OD2 3.42Å
271L94.4Very high96.3Very high21 Ų2129.6 Ų29.611%0.1115%0.149CC..  trans-70.8153.4-169.6-51.7179.6000111.3T267 G269 H275 M279 I293 D316 L319T267-L271 HydrophobicContact CG2-CD2 3.97Å; T267-L271 VanDerWaalsContact OG1-CD2 3.3Å; T267-L271 WeakPolarHBondContact OG1-CD2 3.46Å; G269-L271 VanDerWaalsContact C-N 3.32Å; G269-L271 PolarHBondContact O-N 2.8Å; L271-H275 HydrophobicContact CB-CB 4.27Å; L271-H275 HydrophobicContact CD2-CB 4.11Å; L271-M279 HydrophobicContact CD1-CE 3.7Å; L271-M279 HydrophobicContact CD2-CE 4.46Å; L271-M279 HydrophobicContact CG-CE 4.46Å; L271-I293 HydrophobicContact CD1-CD1 4.37Å; L271-D316 HydrophobicContact CD1-CB 3.67Å; L271-D316 HydrophobicContact CG-CB 3.88Å; L271-D316 WeakPolarHBondContact CG-OD1 3.4Å; L271-D316 PolarHBondContact N-OD1 3.39Å; L271-L319 HydrophobicContact CB-CD1 4.3Å; L271-L319 HydrophobicContact CB-CD2 4.19Å
272H92Very high96.3Very high34 Ų3428.2 Ų28.216%0.15714%0.14CC..  trans-151.3-176.6-177.956.261.1000109.4G274 H275 R276 S423H272-G274 VanDerWaalsContact C-N 3.26Å; H272-G274 WeakPolarHBondContact ND1-CA 3.42Å; H272-G274 PolarHBondContact ND1-N 3.45Å; H272-G274 VanDerWaalsContact ND1-N 3.14Å; H272-G274 PolarHBondContact O-N 3.4Å; H272-H275 AromaticContact CD2-CE1 3.7Å; H272-H275 AromaticContact CD2-ND1 3.55Å; H272-H275 AromaticContact CE1-CE1 3.62Å; H272-H275 AromaticContact CE1-ND1 3.43Å; H272-H275 PolarHBondContact CE1-ND1 3.43Å; H272-H275 AromaticContact CG-ND1 3.6Å; H272-H275 PolarHBondContact N-ND1 2.68Å; H272-H275 AromaticContact ND1-ND1 3.52Å; H272-H275 AromaticContact NE2-CE1 3.31Å; H272-H275 PolarHBondContact NE2-CE1 2.81Å; H272-H275 VanDerWaalsContact NE2-CE1 3.31Å; H272-H275 AromaticContact NE2-ND1 3.45Å; H272-H275 PolarHBondContact NE2-ND1 3.27Å; H272-H275 WeakPolarHBondContact O-CA 3.47Å; H272-H275 WeakPolarHBondContact O-CB 3.42Å; H272-H275 PolarHBondContact O-N 2.92Å; H272-R276 PolarHBondContact O-N 3.03Å; H272-S423 WeakPolarHBondContact NE2-CA 3.27Å
273E93.1Very high96.2Very high96 Ų9632.2 Ų32.245%0.44916%0.157SC..Hα-helixtrans-62.6-32.2-173.3-56.591.3142.600112.8H275 R276 S277 K422E273-H275 VanDerWaalsContact C-N 3.33Å; E273-H275 PolarHBondContact O-N 2.77Å; E273-R276 WeakPolarHBondContact O-CB 3.48Å; E273-R276 PolarHBondContact O-N 3.39Å; E273-S277 PolarHBondContact O-N 2.92Å; E273-K422 HydrophobicContact CB-CD 3.94Å; E273-K422 IonicContact OE1-NZ 3.38Å; E273-K422 PolarHBondContact OE1-NZ 3.33Å; E273-K422 VanDerWaalsContact OE2-CD 3.31Å; E273-K422 WeakPolarHBondContact OE2-CD 3.19Å; E273-K422 WeakPolarHBondContact OE2-CE 3.38Å; E273-K422 IonicContact OE2-NZ 3.76Å; E273-K422 PolarHBondContact OE2-NZ 3.01Å
274G94.1Very high96.1Very high14 Ų1439.3 Ų39.314%0.14419%0.19CC..Hα-helixtrans-59.2-36.5167.800000114.5H272 S277 L278H272-G274 VanDerWaalsContact C-N 3.26Å; H272-G274 WeakPolarHBondContact ND1-CA 3.42Å; H272-G274 PolarHBondContact ND1-N 3.45Å; H272-G274 VanDerWaalsContact ND1-N 3.14Å; H272-G274 PolarHBondContact O-N 3.4Å; G274-S277 PolarHBondContact O-OG 3.26Å; G274-L278 WeakPolarHBondContact O-CG 3.48Å
275H96.5Very high96.1Very high34 Ų3441.6 Ų41.616%0.15720%0.202CC..Hα-helixtrans-77.1-37.9172.7-62109.8000111.1L271 H272 E273 S277 L278 M279L271-H275 HydrophobicContact CB-CB 4.27Å; L271-H275 HydrophobicContact CD2-CB 4.11Å; H272-H275 AromaticContact CD2-CE1 3.7Å; H272-H275 AromaticContact CD2-ND1 3.55Å; H272-H275 AromaticContact CE1-CE1 3.62Å; H272-H275 AromaticContact CE1-ND1 3.43Å; H272-H275 PolarHBondContact CE1-ND1 3.43Å; H272-H275 AromaticContact CG-ND1 3.6Å; H272-H275 PolarHBondContact N-ND1 2.68Å; H272-H275 AromaticContact ND1-ND1 3.52Å; H272-H275 AromaticContact NE2-CE1 3.31Å; H272-H275 PolarHBondContact NE2-CE1 2.81Å; H272-H275 VanDerWaalsContact NE2-CE1 3.31Å; H272-H275 AromaticContact NE2-ND1 3.45Å; H272-H275 PolarHBondContact NE2-ND1 3.27Å; H272-H275 WeakPolarHBondContact O-CA 3.47Å; H272-H275 WeakPolarHBondContact O-CB 3.42Å; H272-H275 PolarHBondContact O-N 2.92Å; E273-H275 VanDerWaalsContact C-N 3.33Å; E273-H275 PolarHBondContact O-N 2.77Å; H275-S277 VanDerWaalsContact C-N 3.3Å; H275-S277 PolarHBondContact O-N 2.79Å; H275-L278 WeakPolarHBondContact O-CB 3.18Å; H275-L278 PolarHBondContact O-N 3.15Å; H275-L278 VanDerWaalsContact O-N 3.14Å; H275-M279 HydrophobicContact CB-CE 3.82Å; H275-M279 WeakPolarHBondContact O-CG 3.3Å; H275-M279 PolarHBondContact O-N 3.14Å; H275-M279 VanDerWaalsContact O-N 3.12Å
276R96Very high96Very high103 Ų10342 Ų4239%0.38921%0.205SC..Hα-helixtrans-55.8-44.5176.3-171179.3161.8165.2-1.3111.5H272 E273 L278 M279 E280 L319 A323H272-R276 PolarHBondContact O-N 3.03Å; E273-R276 WeakPolarHBondContact O-CB 3.48Å; E273-R276 PolarHBondContact O-N 3.39Å; R276-L278 VanDerWaalsContact C-N 3.28Å; R276-L278 PolarHBondContact O-N 3.47Å; R276-M279 WeakPolarHBondContact O-CB 3.22Å; R276-M279 PolarHBondContact O-N 3.19Å; R276-M279 VanDerWaalsContact O-N 3.1Å; R276-E280 HydrophobicContact CG-CG 4.32Å; R276-E280 IonicContact CZ-OE1 3.05Å; R276-E280 VanDerWaalsContact CZ-OE1 3.3Å; R276-E280 IonicContact NE-OE1 3.04Å; R276-E280 PolarHBondContact NE-OE1 3.3Å; R276-E280 IonicContact NH2-OE1 3.71Å; R276-E280 PolarHBondContact NH2-OE1 2.62Å; R276-E280 WeakPolarHBondContact O-CG 3.26Å; R276-E280 PolarHBondContact O-N 3.39Å; R276-L319 HydrophobicContact CB-CD1 4.49Å; R276-L319 HydrophobicContact CB-CD2 3.87Å; R276-L319 HydrophobicContact CB-CG 4.38Å; R276-L319 HydrophobicContact CG-CD2 4.26Å; R276-A323 HydrophobicContact CG-CB 4.41Å
277S97.4Very high95.9Very high29 Ų2943.6 Ų43.620%0.20321%0.212CC..Hα-helixtrans-62.6-34.717967.90000112.5E273 G274 H275 K281 I414E273-S277 PolarHBondContact O-N 2.92Å; G274-S277 PolarHBondContact O-OG 3.26Å; H275-S277 VanDerWaalsContact C-N 3.3Å; H275-S277 PolarHBondContact O-N 2.79Å; S277-K281 VanDerWaalsContact O-CB 3.28Å; S277-K281 WeakPolarHBondContact O-CB 3.33Å; S277-K281 PolarHBondContact O-N 2.81Å; S277-I414 WeakPolarHBondContact OG-CG1 3.41Å
278L98.4Very high95.9Very high10 Ų1043.5 Ų43.55%0.05221%0.211CC..Hα-helixtrans-64.1-44.6172.7-51.7-176000111.1V265 G274 H275 R276 K281 A282 C411V265-L278 HydrophobicContact CG1-CB 3.68Å; V265-L278 HydrophobicContact CG1-CD1 3.78Å; V265-L278 HydrophobicContact CG1-CG 4.37Å; V265-L278 HydrophobicContact CG2-CB 4.23Å; G274-L278 WeakPolarHBondContact O-CG 3.48Å; H275-L278 WeakPolarHBondContact O-CB 3.18Å; H275-L278 PolarHBondContact O-N 3.15Å; H275-L278 VanDerWaalsContact O-N 3.14Å; R276-L278 VanDerWaalsContact C-N 3.28Å; R276-L278 PolarHBondContact O-N 3.47Å; L278-K281 PolarHBondContact O-N 2.89Å; L278-A282 VanDerWaalsContact O-CB 3.28Å; L278-A282 WeakPolarHBondContact O-CB 3.44Å; L278-A282 PolarHBondContact O-N 3.24Å; L278-C411 HydrophobicContact CD2-CB 3.28Å
279M98.2Very high96.1Very high0 Ų041.3 Ų41.30%020%0.2CC..Hα-helixtrans-66.1-43.3179.7-63171.5-14500111.9V265 L271 H275 R276 A282 K283 V291 L319 C320 A323 V325V265-M279 HydrophobicContact CG2-CG 4.17Å; L271-M279 HydrophobicContact CD1-CE 3.7Å; L271-M279 HydrophobicContact CD2-CE 4.46Å; L271-M279 HydrophobicContact CG-CE 4.46Å; H275-M279 HydrophobicContact CB-CE 3.82Å; H275-M279 WeakPolarHBondContact O-CG 3.3Å; H275-M279 PolarHBondContact O-N 3.14Å; H275-M279 VanDerWaalsContact O-N 3.12Å; R276-M279 WeakPolarHBondContact O-CB 3.22Å; R276-M279 PolarHBondContact O-N 3.19Å; R276-M279 VanDerWaalsContact O-N 3.1Å; M279-A282 PolarHBondContact O-N 3.18Å; M279-K283 WeakPolarHBondContact O-CB 3.26Å; M279-K283 PolarHBondContact O-N 3.32Å; M279-V291 HydrophobicContact CE-CG1 4.45Å; M279-V291 HydrophobicContact CE-CG2 4.37Å; M279-V291 HydrophobicContact CG-CG2 3.83Å; M279-V291 HydrophobicContact SD-CG2 4Å; M279-L319 HydrophobicContact CE-CD2 3.65Å; M279-L319 HydrophobicContact SD-CD2 3.81Å; M279-C320 HydrophobicContact SD-CB 4.45Å; M279-A323 HydrophobicContact CB-CB 3.65Å; M279-A323 HydrophobicContact SD-CB 4.1Å; M279-V325 HydrophobicContact CB-CG2 4.1Å; M279-V325 HydrophobicContact CG-CG2 3.99Å; M279-V325 HydrophobicContact SD-CG2 3.78Å
280E96.8Very high96.3Very high83 Ų8341.2 Ų41.239%0.38820%0.199SC..Hα-helixtrans-64.3-41.8177.1-73.1175166.200110.9R276 K283 Q284 A323R276-E280 HydrophobicContact CG-CG 4.32Å; R276-E280 IonicContact CZ-OE1 3.05Å; R276-E280 VanDerWaalsContact CZ-OE1 3.3Å; R276-E280 IonicContact NE-OE1 3.04Å; R276-E280 PolarHBondContact NE-OE1 3.3Å; R276-E280 IonicContact NH2-OE1 3.71Å; R276-E280 PolarHBondContact NH2-OE1 2.62Å; R276-E280 WeakPolarHBondContact O-CG 3.26Å; R276-E280 PolarHBondContact O-N 3.39Å; E280-K283 PolarHBondContact O-N 2.95Å; E280-Q284 PolarHBondContact O-N 3.02Å; E280-A323 HydrophobicContact CG-CB 4.26Å
281K98.2Very high96.7Very high74 Ų7440.7 Ų40.732%0.32220%0.195SC..Hα-helixtrans-64.9-44.5174.8-175.452179.9155.20111.7S277 L278 K283 Q284 D285 Y383S277-K281 VanDerWaalsContact O-CB 3.28Å; S277-K281 WeakPolarHBondContact O-CB 3.33Å; S277-K281 PolarHBondContact O-N 2.81Å; L278-K281 PolarHBondContact O-N 2.89Å; K281-K283 PolarHBondContact O-N 3.19Å; K281-Q284 VanDerWaalsContact NZ-OE1 3.12Å; K281-Q284 WeakPolarHBondContact O-CB 3.32Å; K281-Q284 PolarHBondContact O-N 3.06Å; K281-D285 VanDerWaalsContact CE-OD2 3.22Å; K281-D285 WeakPolarHBondContact CE-OD2 3.46Å; K281-D285 IonicContact NZ-OD1 2.73Å; K281-D285 PolarHBondContact NZ-OD1 2.87Å; K281-D285 IonicContact NZ-OD2 3.57Å; K281-D285 PolarHBondContact NZ-OD2 3.32Å; K281-D285 VanDerWaalsContact O-CG 3.3Å; K281-D285 PolarHBondContact O-N 3.2Å; K281-Y383 HydrophobicContact CB-CD1 4.44Å; K281-Y383 HydrophobicContact CB-CE1 4.44Å; K281-Y383 HydrophobicContact CG-CD1 4.11Å; K281-Y383 HydrophobicContact CG-CE1 3.82Å
282A98.4Very high96.9Very high0 Ų039.8 Ų39.80%019%0.19CC..Hα-helixtrans-59-37.6173.700000112.1V265 L278 M279 D285 N286 V289 Y383V265-A282 HydrophobicContact CG2-CB 4.06Å; L278-A282 VanDerWaalsContact O-CB 3.28Å; L278-A282 WeakPolarHBondContact O-CB 3.44Å; L278-A282 PolarHBondContact O-N 3.24Å; M279-A282 PolarHBondContact O-N 3.18Å; A282-D285 PolarHBondContact O-N 2.92Å; A282-N286 WeakPolarHBondContact O-CB 3.29Å; A282-N286 PolarHBondContact O-N 3.3Å; A282-N286 VanDerWaalsContact O-N 3.14Å; A282-N286 PolarHBondContact O-ND2 3.42Å; A282-V289 VanDerWaalsContact C-CG2 3.45Å; A282-V289 HydrophobicContact CB-CB 4.5Å; A282-V289 HydrophobicContact CB-CG1 3.89Å; A282-V289 HydrophobicContact CB-CG2 3.76Å; A282-Y383 HydrophobicContact CB-CD1 4.43Å; A282-Y383 HydrophobicContact CB-CD2 3.51Å; A282-Y383 HydrophobicContact CB-CE1 4.41Å; A282-Y383 HydrophobicContact CB-CE2 3.49Å; A282-Y383 VanDerWaalsContact CB-CE2 3.49Å; A282-Y383 HydrophobicContact CB-CG 4.02Å
283K95.9Very high97.1Very high83 Ų8338.5 Ų38.536%0.36118%0.184SC..Hα-helixtrans-72.7-31.4179.7-17556.6-178.5177.60112.8M279 E280 K281 D285 D287 V289M279-K283 WeakPolarHBondContact O-CB 3.26Å; M279-K283 PolarHBondContact O-N 3.32Å; E280-K283 PolarHBondContact O-N 2.95Å; K281-K283 PolarHBondContact O-N 3.19Å; K283-D285 VanDerWaalsContact C-N 3.32Å; K283-D287 PolarHBondContact NZ-O 3.07Å; K283-V289 VanDerWaalsContact CA-CG2 3.49Å; K283-V289 HydrophobicContact CB-CG2 3.88Å; K283-V289 HydrophobicContact CD-CG2 4.12Å
284Q96.8Very high97.3Very high149 Ų14934.5 Ų34.570%0.69617%0.165SC*.Hα-helixtrans-65.4-38.6173.7-174.7-176.221.400111.8E280 K281E280-Q284 PolarHBondContact O-N 3.02Å; K281-Q284 VanDerWaalsContact NZ-OE1 3.12Å; K281-Q284 WeakPolarHBondContact O-CB 3.32Å; K281-Q284 PolarHBondContact O-N 3.06Å
285D97.9Very high97.3Very high48 Ų4834.7 Ų34.726%0.25716%0.164SC..Hα-helixtrans-93.8-13.3-169.3-62.1-18.5000113.7K281 A282 K283 R381 Y383K281-D285 VanDerWaalsContact CE-OD2 3.22Å; K281-D285 WeakPolarHBondContact CE-OD2 3.46Å; K281-D285 IonicContact NZ-OD1 2.73Å; K281-D285 PolarHBondContact NZ-OD1 2.87Å; K281-D285 IonicContact NZ-OD2 3.57Å; K281-D285 PolarHBondContact NZ-OD2 3.32Å; K281-D285 VanDerWaalsContact O-CG 3.3Å; K281-D285 PolarHBondContact O-N 3.2Å; A282-D285 PolarHBondContact O-N 2.92Å; K283-D285 VanDerWaalsContact C-N 3.32Å; D285-R381 PolarHBondContact O-NH1 3.27Å; D285-Y383 WeakPolarHBondContact CB-OH 3.22Å; D285-Y383 WeakPolarHBondContact OD2-CE1 3.47Å; D285-Y383 PolarHBondContact OD2-OH 3.41Å
286N98Very high97.3Very high9 Ų933.2 Ų33.25%0.04816%0.157CC..  trans-139.8155.2-171.5-48.7-85.3000112.7S261 G263 A282 R381 Y383S261-N286 VanDerWaalsContact OG-CA 3.31Å; S261-N286 WeakPolarHBondContact OG-CA 3.43Å; G263-N286 WeakPolarHBondContact CA-ND2 2.97Å; A282-N286 WeakPolarHBondContact O-CB 3.29Å; A282-N286 PolarHBondContact O-N 3.3Å; A282-N286 VanDerWaalsContact O-N 3.14Å; A282-N286 PolarHBondContact O-ND2 3.42Å; N286-R381 PolarHBondContact OD1-NH1 2.84Å; N286-Y383 PolarHBondContact ND2-OH 2.87Å
287D95.5Very high97.1Very high58 Ų5830 Ų3031%0.3115%0.149SC..SBendtrans-66-45.3177.6-65.2-76000111.6Q260 S261 K283Q260-D287 HydrophobicContact CB-CB 3.97Å; Q260-D287 HydrophobicContact CG-CB 4.43Å; S261-D287 PolarHBondContact N-OD2 2.85Å; S261-D287 PolarHBondContact O-N 2.86Å; S261-D287 PolarHBondContact OG-N 3.13Å; S261-D287 PolarHBondContact OG-OD2 3.36Å; K283-D287 PolarHBondContact NZ-O 3.07Å
288H96.5Very high96.8Very high9 Ų930.3 Ų30.34%0.04215%0.15CC..EExtended strand (participates in β ladder)trans-124.2146.2179.5-54.8-61.5000111.6K237 W255 Q260 S261 I262 G263 A326K237-H288 PolarHBondContact NZ-CE1 2.87Å; K237-H288 VanDerWaalsContact NZ-CE1 3.32Å; W255-H288 AromaticContact CD1-CD2 3.47Å; W255-H288 VanDerWaalsContact CD1-CD2 3.47Å; W255-H288 AromaticContact CD1-NE2 3.36Å; W255-H288 HydrophobicContact CD2-CB 4.01Å; W255-H288 AromaticContact CD2-CD2 3.45Å; W255-H288 VanDerWaalsContact CD2-CD2 3.45Å; W255-H288 AromaticContact CD2-CG 3.68Å; W255-H288 AromaticContact CE2-CD2 3.63Å; W255-H288 AromaticContact CE2-CG 3.53Å; W255-H288 AromaticContact CE2-ND1 3.89Å; W255-H288 AromaticContact CE2-NE2 4Å; W255-H288 HydrophobicContact CE3-CB 3.89Å; W255-H288 AromaticContact CG-CD2 3.35Å; W255-H288 AromaticContact CG-NE2 3.74Å; W255-H288 HydrophobicContact CH2-CB 3.89Å; W255-H288 HydrophobicContact CZ2-CB 4.02Å; W255-H288 AromaticContact CZ2-CG 3.85Å; W255-H288 HydrophobicContact CZ3-CB 3.82Å; W255-H288 AromaticContact NE1-CD2 3.63Å; W255-H288 AromaticContact NE1-CE1 3.76Å; W255-H288 AromaticContact NE1-CG 3.84Å; W255-H288 AromaticContact NE1-ND1 3.91Å; W255-H288 AromaticContact NE1-NE2 3.53Å; Q260-H288 VanDerWaalsContact CD-NE2 3.29Å; Q260-H288 PolarHBondContact OE1-NE2 2.96Å; S261-H288 PolarHBondContact O-N 2.85Å; S261-H288 VanDerWaalsContact O-N 3.07Å; I262-H288 WeakPolarHBondContact CA-O 3.23Å; G263-H288 PolarHBondContact N-O 2.64Å; H288-A326 HydrophobicContact CB-CB 4.21Å
289V98.3Very high96.4Very high1 Ų130.5 Ų30.51%0.00615%0.151CC..EExtended strand (participates in β ladder)trans-119.3129.5173.7-179.40000108.9G263 V265 A282 K283 V291 V325 A326 L327G263-V289 CarbonylContact O-C 3.32Å; G263-V289 WeakPolarHBondContact O-CA 2.96Å; V265-V289 HydrophobicContact CG2-CG1 4.26Å; A282-V289 VanDerWaalsContact C-CG2 3.45Å; A282-V289 HydrophobicContact CB-CB 4.5Å; A282-V289 HydrophobicContact CB-CG1 3.89Å; A282-V289 HydrophobicContact CB-CG2 3.76Å; K283-V289 VanDerWaalsContact CA-CG2 3.49Å; K283-V289 HydrophobicContact CB-CG2 3.88Å; K283-V289 HydrophobicContact CD-CG2 4.12Å; V289-V291 HydrophobicContact CG1-CG2 4.37Å; V289-V325 HydrophobicContact CG1-CG2 4.2Å; V289-A326 PolarHBondContact O-N 3.21Å; V289-L327 PolarHBondContact O-N 3.4Å
290I98.6Very high96Very high0 Ų031.4 Ų31.40%016%0.155CC..EExtended strand (participates in β ladder)trans-104.5136.4169.1-54.6171.1000108.3V252 W255 I262 G263 F264 V265 L327 T377V252-I290 HydrophobicContact CG2-CD1 3.85Å; W255-I290 HydrophobicContact CH2-CG1 4.23Å; W255-I290 HydrophobicContact CZ3-CD1 3.81Å; W255-I290 HydrophobicContact CZ3-CG1 3.67Å; I262-I290 HydrophobicContact CG2-CD1 3.69Å; I262-I290 HydrophobicContact CG2-CG1 4.09Å; G263-I290 PolarHBondContact O-N 3.36Å; F264-I290 WeakPolarHBondContact CA-O 3.44Å; F264-I290 HydrophobicContact CD2-CB 3.92Å; F264-I290 HydrophobicContact CD2-CG2 3.94Å; F264-I290 VanDerWaalsContact CD2-O 3.3Å; F264-I290 WeakPolarHBondContact CD2-O 3.32Å; F264-I290 HydrophobicContact CE2-CG2 4.14Å; V265-I290 PolarHBondContact N-O 3.45Å; I290-L327 CarbonylContact C-O 3.16Å; I290-L327 VanDerWaalsContact CA-O 3.29Å; I290-L327 WeakPolarHBondContact CA-O 3.28Å; I290-L327 HydrophobicContact CD1-CD2 4.41Å; I290-L327 HydrophobicContact CG1-CB 4.25Å; I290-L327 HydrophobicContact CG1-CD2 4.29Å; I290-L327 HydrophobicContact CG2-CD2 4.41Å; I290-T377 HydrophobicContact CD1-CG2 4.07Å; I290-T377 HydrophobicContact CG2-CG2 3.99Å
291V98.6Very high95.2Very high0 Ų029.2 Ų29.20%015%0.149CC..EExtended strand (participates in β ladder)trans-117.2135.3169176.40000108.2V265 T267 M279 V289 I293 V325 L327 I328 F329V265-V291 HydrophobicContact CB-CG2 4.2Å; V265-V291 WeakPolarHBondContact O-CA 3.43Å; T267-V291 HydrophobicContact CG2-CG1 4.08Å; M279-V291 HydrophobicContact CE-CG1 4.45Å; M279-V291 HydrophobicContact CE-CG2 4.37Å; M279-V291 HydrophobicContact CG-CG2 3.83Å; M279-V291 HydrophobicContact SD-CG2 4Å; V289-V291 HydrophobicContact CG1-CG2 4.37Å; V291-I293 HydrophobicContact CG1-CG1 4.43Å; V291-V325 HydrophobicContact CB-CG1 4.14Å; V291-V325 HydrophobicContact CG2-CB 4.32Å; V291-V325 HydrophobicContact CG2-CG1 3.7Å; V291-V325 HydrophobicContact CG2-CG2 3.58Å; V291-L327 PolarHBondContact N-O 2.82Å; V291-I328 HydrophobicContact CB-CG1 4.43Å; V291-I328 CarbonylContact O-C 3.51Å; V291-I328 VanDerWaalsContact O-CA 3.26Å; V291-I328 WeakPolarHBondContact O-CA 3.12Å; V291-F329 PolarHBondContact O-N 2.81Å
292S98.5Very high94.1Very high1 Ų132.1 Ų32.11%0.00718%0.175CC..EExtended strand (participates in β ladder)trans-92.9141164.855.30000109.7F264 V265 P266 T267 F329F264-S292 WeakPolarHBondContact CZ-OG 3.43Å; V265-S292 PolarHBondContact O-N 3.14Å; P266-S292 WeakPolarHBondContact CA-OG 3.38Å; T267-S292 CarbonylContact C-O 3.57Å; T267-S292 WeakPolarHBondContact CA-O 3.3Å; T267-S292 WeakPolarHBondContact CB-O 3.16Å; T267-S292 PolarHBondContact N-O 2.96Å; T267-S292 PolarHBondContact N-OG 2.97Å; T267-S292 CarbonylContact O-C 3.58Å; T267-S292 PolarHBondContact OG1-O 2.64Å; S292-F329 CarbonylContact C-O 3.52Å; S292-F329 VanDerWaalsContact CA-O 3.26Å; S292-F329 WeakPolarHBondContact CA-O 3.4Å
293I97.5Very high92.9Very high8 Ų839.9 Ų39.94%0.04122%0.217CC..EExtended strand (participates in β ladder)trans-118.890167-64.3177.4000105.5L271 V291 L313 D316 I328 F329 H330L271-I293 HydrophobicContact CD1-CD1 4.37Å; V291-I293 HydrophobicContact CG1-CG1 4.43Å; I293-L313 HydrophobicContact CD1-CD1 4Å; I293-L313 HydrophobicContact CG2-CD1 4.42Å; I293-D316 HydrophobicContact CD1-CB 3.58Å; I293-I328 HydrophobicContact CB-CG2 4.36Å; I293-I328 HydrophobicContact CD1-CD1 4.1Å; I293-I328 HydrophobicContact CD1-CG1 4.38Å; I293-I328 HydrophobicContact CD1-CG2 3.81Å; I293-I328 HydrophobicContact CG1-CG2 4.02Å; I293-F329 PolarHBondContact N-O 2.87Å; I293-H330 PolarHBondContact O-ND1 2.83Å
294F97.2Very high92.1Very high11 Ų1138.1 Ų38.15%0.04821%0.21CC..  trans-145.5109.7-175.7177.4-116.1000111.3T267 M268 N296 P331 V333 M336 Y337 V369T267-F294 PolarHBondContact O-N 2.9Å; M268-F294 WeakPolarHBondContact CA-O 3.26Å; M268-F294 WeakPolarHBondContact CG-O 3.44Å; F294-N296 HydrophobicContact CD1-CB 4.11Å; F294-N296 HydrophobicContact CE1-CB 3.89Å; F294-N296 PolarHBondContact O-N 3.44Å; F294-P331 HydrophobicContact CB-CG 4.18Å; F294-P331 HydrophobicContact CD2-CG 3.86Å; F294-P331 HydrophobicContact CG-CG 4.08Å; F294-V333 HydrophobicContact CE2-CG2 4.06Å; F294-V333 HydrophobicContact CZ-CG2 4.47Å; F294-M336 HydrophobicContact CD1-CG 4.25Å; F294-M336 HydrophobicContact CD2-CG 4.34Å; F294-M336 HydrophobicContact CE1-CB 4.02Å; F294-M336 HydrophobicContact CE1-CG 3.85Å; F294-M336 HydrophobicContact CE2-CB 4.3Å; F294-M336 HydrophobicContact CE2-CG 3.96Å; F294-M336 HydrophobicContact CG-CG 4.48Å; F294-M336 HydrophobicContact CZ-CB 3.7Å; F294-M336 HydrophobicContact CZ-CG 3.69Å; F294-Y337 AromaticContact CE1-CE2 3.88Å; F294-Y337 HydrophobicContact CE1-CE2 3.88Å; F294-Y337 HydrophobicContact CZ-CD2 4.16Å; F294-Y337 AromaticContact CZ-CE2 3.8Å; F294-Y337 HydrophobicContact CZ-CE2 3.8Å; F294-V369 HydrophobicContact CD1-CG2 3.95Å; F294-V369 HydrophobicContact CE1-CG2 3.86Å
295V94.6Very high91.4Very high19 Ų1932.2 Ų32.212%0.11518%0.183CC..  trans-73.599.5172.7-174.60000108M268 P297 F300 L306 Y309M268-V295 HydrophobicContact CB-CG2 4.31Å; M268-V295 VanDerWaalsContact O-CG2 3.25Å; M268-V295 WeakPolarHBondContact O-CG2 3.3Å; M268-V295 HydrophobicContact SD-CG1 4.47Å; V295-P297 WeakPolarHBondContact O-CD 3.39Å; V295-F300 HydrophobicContact CG1-CE2 4.01Å; V295-F300 HydrophobicContact CG1-CZ 4.41Å; V295-L306 HydrophobicContact CG1-CD1 3.61Å; V295-Y309 HydrophobicContact CG1-CD1 4.38Å; V295-Y309 HydrophobicContact CG1-CG 4.16Å; V295-Y309 HydrophobicContact CG2-CD1 3.69Å; V295-Y309 HydrophobicContact CG2-CE1 4.24Å; V295-Y309 HydrophobicContact CG2-CG 4.27Å
296N94.9Very high90.7Very high3 Ų332.4 Ų32.42%0.01618%0.184CC..  trans-72.9108.9-176.2174.733.2000111.6F294 T298 Q299 F300 Y337 G365 V369F294-N296 HydrophobicContact CD1-CB 4.11Å; F294-N296 HydrophobicContact CE1-CB 3.89Å; F294-N296 PolarHBondContact O-N 3.44Å; N296-T298 VanDerWaalsContact C-N 3.29Å; N296-T298 PolarHBondContact ND2-OG1 3.02Å; N296-T298 PolarHBondContact O-N 3.28Å; N296-T298 PolarHBondContact OD1-N 2.82Å; N296-T298 PolarHBondContact OD1-OG1 2.78Å; N296-Q299 HydrophobicContact CB-CG 4.43Å; N296-Q299 PolarHBondContact ND2-OE1 2.82Å; N296-Q299 WeakPolarHBondContact O-CG 3.48Å; N296-F300 WeakPolarHBondContact O-CD2 3.24Å; N296-F300 WeakPolarHBondContact O-CE2 3.31Å; N296-Y337 VanDerWaalsContact OD1-CE2 3.22Å; N296-Y337 WeakPolarHBondContact OD1-CE2 3.32Å; N296-Y337 VanDerWaalsContact OD1-CZ 3.31Å; N296-Y337 PolarHBondContact OD1-OH 2.77Å; N296-G365 PolarHBondContact ND2-O 3.28Å; N296-V369 HydrophobicContact CB-CB 4.43Å; N296-V369 HydrophobicContact CB-CG1 4.25Å; N296-V369 HydrophobicContact CB-CG2 4.21Å; N296-V369 WeakPolarHBondContact ND2-CG1 3.5Å
297P92.4Very high89.9Confident35 Ų3536.4 Ų36.423%0.22722%0.218CC..G310 helixtrans-67.8-26.7-176.827.9-35.4000113.5V295 Q299 F300 L306 V333 Y337V295-P297 WeakPolarHBondContact O-CD 3.39Å; P297-Q299 PolarHBondContact O-N 2.92Å; P297-F300 PolarHBondContact O-N 2.87Å; P297-L306 HydrophobicContact CB-CD1 4.37Å; P297-L306 HydrophobicContact CB-CD2 3.89Å; P297-V333 HydrophobicContact CG-CG1 3.84Å; P297-V333 HydrophobicContact CG-CG2 4.21Å; P297-Y337 HydrophobicContact CG-CD2 4.42Å; P297-Y337 HydrophobicContact CG-CE2 4.41Å
298T91Very high89.3Confident35 Ų3537.1 Ų37.122%0.21523%0.228CC..G310 helixtrans-72.5-15-172.264.20000113.9N296 Y337 Y344 G365N296-T298 VanDerWaalsContact C-N 3.29Å; N296-T298 PolarHBondContact ND2-OG1 3.02Å; N296-T298 PolarHBondContact O-N 3.28Å; N296-T298 PolarHBondContact OD1-N 2.82Å; N296-T298 PolarHBondContact OD1-OG1 2.78Å; T298-Y337 HydrophobicContact CG2-CD1 4.31Å; T298-Y337 HydrophobicContact CG2-CD2 4.25Å; T298-Y337 HydrophobicContact CG2-CE1 3.9Å; T298-Y337 HydrophobicContact CG2-CE2 3.81Å; T298-Y337 HydrophobicContact CG2-CG 4.46Å; T298-Y337 PolarHBondContact OG1-OH 2.6Å; T298-Y337 VanDerWaalsContact OG1-OH 3.06Å; T298-Y344 HydrophobicContact CG2-CE1 4.39Å; T298-G365 WeakPolarHBondContact OG1-CA 3.36Å
299Q91.1Very high88.8Confident14 Ų1437.4 Ų37.47%0.06523%0.228CC..G310 helixtrans-92.3-4.117781.5-165.92100113.4M268 N296 P297 R359 H362 V366M268-Q299 PolarHBondContact SD-NE2 3.35Å; N296-Q299 HydrophobicContact CB-CG 4.43Å; N296-Q299 PolarHBondContact ND2-OE1 2.82Å; N296-Q299 WeakPolarHBondContact O-CG 3.48Å; P297-Q299 PolarHBondContact O-N 2.92Å; Q299-R359 PolarHBondContact O-NH2 3.04Å; Q299-H362 PolarHBondContact O-ND1 3.03Å; Q299-V366 HydrophobicContact CB-CG2 4.13Å
300F88.6Confident88Confident19 Ų1938.3 Ų38.38%0.08323%0.234CC..SBendtrans-104.3137.7179.6-65.6-92.4000111M268 V295 N296 P297 E304 L306 Y309M268-F300 HydrophobicContact CE-CZ 4.21Å; M268-F300 HydrophobicContact SD-CE2 3.87Å; M268-F300 HydrophobicContact SD-CZ 3.8Å; V295-F300 HydrophobicContact CG1-CE2 4.01Å; V295-F300 HydrophobicContact CG1-CZ 4.41Å; N296-F300 WeakPolarHBondContact O-CD2 3.24Å; N296-F300 WeakPolarHBondContact O-CE2 3.31Å; P297-F300 PolarHBondContact O-N 2.87Å; F300-E304 VanDerWaalsContact CA-OE2 3.28Å; F300-E304 WeakPolarHBondContact CA-OE2 3.24Å; F300-E304 HydrophobicContact CB-CB 4.26Å; F300-E304 HydrophobicContact CD1-CB 3.94Å; F300-E304 WeakPolarHBondContact CD1-OE2 3.31Å; F300-L306 HydrophobicContact CB-CB 4.01Å; F300-L306 HydrophobicContact CD1-CB 4.31Å; F300-L306 HydrophobicContact CD2-CB 4.33Å; F300-L306 HydrophobicContact CD2-CD1 3.86Å; F300-L306 HydrophobicContact CE2-CD1 4.15Å; F300-L306 HydrophobicContact CG-CB 3.98Å; F300-L306 HydrophobicContact CG-CD1 4.38Å; F300-Y309 HydrophobicContact CE1-CD2 4.46Å; F300-Y309 HydrophobicContact CZ-CD2 4.07Å; F300-Y309 HydrophobicContact CZ-CE2 4.39Å
301S80.6Confident87.3Confident37 Ų3746.4 Ų46.426%0.25927%0.265SS..  trans-78.5159.1167.9-46.50000110.6N303 E304S301-N303 PolarHBondContact O-N 3.13Å; S301-E304 WeakPolarHBondContact CB-OE1 3.4Å; S301-E304 VanDerWaalsContact N-CD 3.26Å; S301-E304 PolarHBondContact N-OE1 2.84Å; S301-E304 PolarHBondContact N-OE2 3.16Å; S301-E304 WeakPolarHBondContact O-CB 3.38Å; S301-E304 PolarHBondContact O-N 2.86Å; S301-E304 PolarHBondContact OG-OE1 3.15Å
302P74.2Confident86.8Confident135 Ų13552.3 Ų52.388%0.87729%0.29SS*.THydrogen-bonded Turntrans-56.1-26.5-178.7-27.635.2000115.4
303N73.6Confident86.4Confident164 Ų16455 Ų5588%0.87731%0.305SS*.THydrogen-bonded Turntrans-94.74.5-179.4-61.2-18.8000113.3S301S301-N303 PolarHBondContact O-N 3.13Å
304E80.4Confident85.9Confident46 Ų4662.6 Ų62.622%0.21534%0.34CS..SBendtrans-91176.5178.5-65.9179.2-162.300112.3F300 S301 L306 R359F300-E304 VanDerWaalsContact CA-OE2 3.28Å; F300-E304 WeakPolarHBondContact CA-OE2 3.24Å; F300-E304 HydrophobicContact CB-CB 4.26Å; F300-E304 HydrophobicContact CD1-CB 3.94Å; F300-E304 WeakPolarHBondContact CD1-OE2 3.31Å; S301-E304 WeakPolarHBondContact CB-OE1 3.4Å; S301-E304 VanDerWaalsContact N-CD 3.26Å; S301-E304 PolarHBondContact N-OE1 2.84Å; S301-E304 PolarHBondContact N-OE2 3.16Å; S301-E304 WeakPolarHBondContact O-CB 3.38Å; S301-E304 PolarHBondContact O-N 2.86Å; S301-E304 PolarHBondContact OG-OE1 3.15Å; E304-L306 PolarHBondContact O-N 3.35Å; E304-R359 IonicContact OE1-CZ 3.9Å; E304-R359 IonicContact OE1-NE 3.18Å; E304-R359 PolarHBondContact OE1-NE 3.3Å; E304-R359 IonicContact OE1-NH2 3.61Å; E304-R359 IonicContact OE2-CZ 3.55Å; E304-R359 IonicContact OE2-NE 2.69Å; E304-R359 PolarHBondContact OE2-NE 3.47Å; E304-R359 IonicContact OE2-NH2 2.77Å; E304-R359 PolarHBondContact OE2-NH2 2.84Å
305D80.6Confident85.4Confident24 Ų2464.9 Ų64.913%0.12836%0.36CS..THydrogen-bonded Turntrans-80.524.3-168.162.9-40.5000115.2A307 S308 Y309 R425 Y428D305-A307 VanDerWaalsContact C-N 3.35Å; D305-A307 PolarHBondContact O-N 3.49Å; D305-S308 WeakPolarHBondContact CA-OG 3.22Å; D305-S308 WeakPolarHBondContact CB-OG 3.37Å; D305-S308 CarbonylContact O-C 3.52Å; D305-S308 PolarHBondContact O-N 3.45Å; D305-S308 PolarHBondContact O-OG 2.85Å; D305-S308 VanDerWaalsContact O-OG 3.13Å; D305-Y309 PolarHBondContact O-N 3.49Å; D305-R425 IonicContact OD1-CZ 2.73Å; D305-R425 IonicContact OD1-NE 3.28Å; D305-R425 IonicContact OD1-NH2 3.69Å; D305-R425 PolarHBondContact OD1-NH2 3.03Å; D305-R425 IonicContact OD2-CZ 3.45Å; D305-R425 IonicContact OD2-NE 3.32Å; D305-R425 PolarHBondContact OD2-NE 3.33Å; D305-R425 IonicContact OD2-NH2 2.75Å; D305-Y428 HydrophobicContact CB-CE2 4.37Å; D305-Y428 VanDerWaalsContact OD2-CE2 3.29Å; D305-Y428 WeakPolarHBondContact OD2-CE2 3.35Å; D305-Y428 PolarHBondContact OD2-OH 3.01Å; D305-Y428 VanDerWaalsContact OD2-OH 3.06Å
306L83Confident85.4Confident53 Ų5364.1 Ų64.128%0.27736%0.356SS..THydrogen-bonded Turntrans-57.2-45.1-177.9175.661000112.6V295 P297 F300 E304 S308V295-L306 HydrophobicContact CG1-CD1 3.61Å; P297-L306 HydrophobicContact CB-CD1 4.37Å; P297-L306 HydrophobicContact CB-CD2 3.89Å; F300-L306 HydrophobicContact CB-CB 4.01Å; F300-L306 HydrophobicContact CD1-CB 4.31Å; F300-L306 HydrophobicContact CD2-CB 4.33Å; F300-L306 HydrophobicContact CD2-CD1 3.86Å; F300-L306 HydrophobicContact CE2-CD1 4.15Å; F300-L306 HydrophobicContact CG-CB 3.98Å; F300-L306 HydrophobicContact CG-CD1 4.38Å; E304-L306 PolarHBondContact O-N 3.35Å; L306-S308 VanDerWaalsContact C-N 3.34Å
307A82.2Confident85.2Confident93 Ų9366.6 Ų66.677%0.76937%0.367SS*.THydrogen-bonded Turntrans-69.1-34.7-179.600000112D305D305-A307 VanDerWaalsContact C-N 3.35Å; D305-A307 PolarHBondContact O-N 3.49Å
308S83.2Confident85Confident73 Ų7367.8 Ų67.851%0.5138%0.38SS..THydrogen-bonded Turntrans-90.4-2.7-178.350.30000114.3D305 L306 Y428D305-S308 WeakPolarHBondContact CA-OG 3.22Å; D305-S308 WeakPolarHBondContact CB-OG 3.37Å; D305-S308 CarbonylContact O-C 3.52Å; D305-S308 PolarHBondContact O-N 3.45Å; D305-S308 PolarHBondContact O-OG 2.85Å; D305-S308 VanDerWaalsContact O-OG 3.13Å; L306-S308 VanDerWaalsContact C-N 3.34Å; S308-Y428 PolarHBondContact O-OH 3.35Å
309Y85.3Confident85Confident14 Ų1467.8 Ų67.86%0.05538%0.379CS..  trans-58.8127.5-178-158.2-82.8000110.6M268 A270 V295 F300 D305 R311 S424M268-Y309 HydrophobicContact CB-CE1 3.87Å; M268-Y309 HydrophobicContact CE-CE2 3.75Å; M268-Y309 HydrophobicContact SD-CE2 4.27Å; A270-Y309 HydrophobicContact CB-CE1 4.23Å; V295-Y309 HydrophobicContact CG1-CD1 4.38Å; V295-Y309 HydrophobicContact CG1-CG 4.16Å; V295-Y309 HydrophobicContact CG2-CD1 3.69Å; V295-Y309 HydrophobicContact CG2-CE1 4.24Å; V295-Y309 HydrophobicContact CG2-CG 4.27Å; F300-Y309 HydrophobicContact CE1-CD2 4.46Å; F300-Y309 HydrophobicContact CZ-CD2 4.07Å; F300-Y309 HydrophobicContact CZ-CE2 4.39Å; D305-Y309 PolarHBondContact O-N 3.49Å; Y309-R311 PolarHBondContact O-N 3.35Å; Y309-S424 PolarHBondContact OH-OG 2.95Å
310P82.6Confident85.1Confident21 Ų2167.1 Ų67.114%0.13638%0.376CS..  trans-66.5134.4-174-1628.4000111A270 Y428A270-P310 HydrophobicContact CB-CB 3.91Å; A270-P310 HydrophobicContact CB-CG 4.26Å; P310-Y428 WeakPolarHBondContact CD-OH 3.28Å; P310-Y428 HydrophobicContact CG-CE1 3.95Å
311R83.7Confident85.2Confident170 Ų17069.5 Ų69.564%0.64239%0.394SS*.  trans-118.6101.8175.8-63.5-179.1-179.589.41.2108.8Y309Y309-R311 PolarHBondContact O-N 3.35Å
312K86.4Confident85.4Confident123 Ų12371.1 Ų71.154%0.53541%0.41SS..  trans-12555.5-175.4-64.2-174.9-179.8178.60111.3Q314 A315 D316K312-Q314 VanDerWaalsContact C-N 3.32Å; K312-Q314 PolarHBondContact O-N 3.22Å; K312-Q314 VanDerWaalsContact O-N 3.15Å; K312-A315 HydrophobicContact CB-CB 4.21Å; K312-A315 PolarHBondContact O-N 3.47Å; K312-D316 VanDerWaalsContact O-CG 3.31Å; K312-D316 PolarHBondContact O-N 3.01Å
313L90.2Very high86.3Confident58 Ų5865 Ų6530%0.30437%0.372SS..Hα-helixtrans-51.3-44.3-169.5-177.663000114.1I293 A315 D316 Q317I293-L313 HydrophobicContact CD1-CD1 4Å; I293-L313 HydrophobicContact CG2-CD1 4.42Å; L313-A315 PolarHBondContact O-N 2.93Å; L313-D316 PolarHBondContact O-N 3.4Å; L313-Q317 HydrophobicContact CD1-CG 4.2Å; L313-Q317 HydrophobicContact CG-CG 4.36Å; L313-Q317 WeakPolarHBondContact O-CB 3.33Å; L313-Q317 VanDerWaalsContact O-CG 3.27Å; L313-Q317 WeakPolarHBondContact O-CG 3.27Å; L313-Q317 PolarHBondContact O-N 3.16Å
314Q87Confident87.1Confident168 Ų16858.8 Ų58.879%0.78535%0.345SS*.Hα-helixtrans-63.3-41.3179.5-71.4178.8-0.600112.6K312 A318K312-Q314 VanDerWaalsContact C-N 3.32Å; K312-Q314 PolarHBondContact O-N 3.22Å; K312-Q314 VanDerWaalsContact O-N 3.15Å; Q314-A318 PolarHBondContact O-N 3.06Å
315A87.2Confident87.8Confident58 Ų5856.8 Ų56.848%0.47934%0.337SS..Hα-helixtrans-68.9-39.6177.100000111.1K312 L313 A318 L319K312-A315 HydrophobicContact CB-CB 4.21Å; K312-A315 PolarHBondContact O-N 3.47Å; L313-A315 PolarHBondContact O-N 2.93Å; A315-A318 PolarHBondContact O-N 3.44Å; A315-L319 PolarHBondContact O-N 3.28Å
316D94.1Very high88.5Confident4 Ų456.4 Ų56.42%0.02134%0.336CS..Hα-helixtrans-62.4-45176.2-64-20.3000110.8G269 A270 L271 I293 K312 L313 A318 L319 C320G269-D316 WeakPolarHBondContact CA-OD2 3.47Å; A270-D316 WeakPolarHBondContact CA-OD1 3.24Å; A270-D316 PolarHBondContact N-OD1 3.29Å; A270-D316 PolarHBondContact N-OD2 3.42Å; L271-D316 HydrophobicContact CD1-CB 3.67Å; L271-D316 HydrophobicContact CG-CB 3.88Å; L271-D316 WeakPolarHBondContact CG-OD1 3.4Å; L271-D316 PolarHBondContact N-OD1 3.39Å; I293-D316 HydrophobicContact CD1-CB 3.58Å; K312-D316 VanDerWaalsContact O-CG 3.31Å; K312-D316 PolarHBondContact O-N 3.01Å; L313-D316 PolarHBondContact O-N 3.4Å; D316-A318 PolarHBondContact O-N 3.21Å; D316-L319 PolarHBondContact O-N 3.02Å; D316-C320 WeakPolarHBondContact O-CB 3.49Å; D316-C320 PolarHBondContact O-N 3.25Å; D316-C320 PolarHBondContact O-SG 2.93Å; D316-C320 VanDerWaalsContact O-SG 3.35Å
317Q91.2Very high89.1Confident54 Ų5453.9 Ų53.925%0.25232%0.324SS..Hα-helixtrans-60.1-44.2174.6-76.4172.8-36.900112.2L239 T241 L313 L319 C320 S321 I328L239-Q317 HydrophobicContact CD2-CB 4.26Å; L239-Q317 WeakPolarHBondContact CD2-O 3.13Å; T241-Q317 PolarHBondContact OG1-NE2 3.05Å; L313-Q317 HydrophobicContact CD1-CG 4.2Å; L313-Q317 HydrophobicContact CG-CG 4.36Å; L313-Q317 WeakPolarHBondContact O-CB 3.33Å; L313-Q317 VanDerWaalsContact O-CG 3.27Å; L313-Q317 WeakPolarHBondContact O-CG 3.27Å; L313-Q317 PolarHBondContact O-N 3.16Å; Q317-L319 VanDerWaalsContact C-N 3.33Å; Q317-L319 PolarHBondContact O-N 3.2Å; Q317-C320 PolarHBondContact O-N 3.23Å; Q317-S321 WeakPolarHBondContact O-CB 3.39Å; Q317-S321 PolarHBondContact O-N 2.96Å; Q317-I328 HydrophobicContact CB-CD1 4.34Å; Q317-I328 HydrophobicContact CG-CD1 3.76Å
318A89Confident89.9Confident61 Ų6149.5 Ų49.550%0.50429%0.287SS..Hα-helixtrans-61.2-43177.700000111.7Q314 A315 D316 S321 A322Q314-A318 PolarHBondContact O-N 3.06Å; A315-A318 PolarHBondContact O-N 3.44Å; D316-A318 PolarHBondContact O-N 3.21Å; A318-S321 PolarHBondContact O-N 2.56Å; A318-A322 WeakPolarHBondContact O-CB 3.25Å; A318-A322 PolarHBondContact O-N 2.91Å
319L89.7Confident90.7Very high35 Ų3546 Ų4618%0.18326%0.263CS..Hα-helixtrans-66.3-43.1177.6-170.4149.9000111.7L271 R276 M279 A315 D316 Q317 A322 A323L271-L319 HydrophobicContact CB-CD1 4.3Å; L271-L319 HydrophobicContact CB-CD2 4.19Å; R276-L319 HydrophobicContact CB-CD1 4.49Å; R276-L319 HydrophobicContact CB-CD2 3.87Å; R276-L319 HydrophobicContact CB-CG 4.38Å; R276-L319 HydrophobicContact CG-CD2 4.26Å; M279-L319 HydrophobicContact CE-CD2 3.65Å; M279-L319 HydrophobicContact SD-CD2 3.81Å; A315-L319 PolarHBondContact O-N 3.28Å; D316-L319 PolarHBondContact O-N 3.02Å; Q317-L319 VanDerWaalsContact C-N 3.33Å; Q317-L319 PolarHBondContact O-N 3.2Å; L319-A322 PolarHBondContact O-N 3.01Å; L319-A323 WeakPolarHBondContact O-CB 3.33Å; L319-A323 PolarHBondContact O-N 3.15Å
320C94.7Very high91.3Very high0 Ų047.4 Ų47.40%027%0.269CS..Hα-helixtrans-60.4-44.4173.7-73.60000112.1L239 M279 D316 Q317 A322 A323 G324 V325 I328L239-C320 HydrophobicContact CD1-CB 4.41Å; L239-C320 HydrophobicContact CD2-CB 3.92Å; M279-C320 HydrophobicContact SD-CB 4.45Å; D316-C320 WeakPolarHBondContact O-CB 3.49Å; D316-C320 PolarHBondContact O-N 3.25Å; D316-C320 PolarHBondContact O-SG 2.93Å; D316-C320 VanDerWaalsContact O-SG 3.35Å; Q317-C320 PolarHBondContact O-N 3.23Å; C320-A322 VanDerWaalsContact C-N 3.34Å; C320-A322 PolarHBondContact O-N 3.09Å; C320-A323 PolarHBondContact O-N 3.42Å; C320-G324 PolarHBondContact O-N 2.87Å; C320-V325 HydrophobicContact CB-CB 3.86Å; C320-V325 HydrophobicContact CB-CG1 4.23Å; C320-V325 HydrophobicContact CB-CG2 3.88Å; C320-V325 VanDerWaalsContact O-CB 3.28Å; C320-V325 WeakPolarHBondContact O-CB 3.32Å; C320-V325 WeakPolarHBondContact O-CG2 3.28Å; C320-V325 PolarHBondContact O-N 3.17Å; C320-I328 HydrophobicContact CB-CD1 3.77Å; C320-I328 HydrophobicContact CB-CG1 4.21Å
321S89.3Confident92Very high68 Ų6846.6 Ų46.648%0.47626%0.264SS..Hα-helixtrans-62.4-43.9179-169.90000110.9Q317 A318 A323 G324Q317-S321 WeakPolarHBondContact O-CB 3.39Å; Q317-S321 PolarHBondContact O-N 2.96Å; A318-S321 PolarHBondContact O-N 2.56Å; S321-A323 VanDerWaalsContact C-N 3.28Å; S321-A323 PolarHBondContact O-N 2.92Å; S321-G324 PolarHBondContact O-N 2.84Å; S321-G324 VanDerWaalsContact O-N 3.16Å
322A86.3Confident92.6Very high71 Ų7143.1 Ų43.159%0.58726%0.255SS*.Hα-helixtrans-64.9-31.1177.800000113A318 L319 C320 G324A318-A322 WeakPolarHBondContact O-CB 3.25Å; A318-A322 PolarHBondContact O-N 2.91Å; L319-A322 PolarHBondContact O-N 3.01Å; C320-A322 VanDerWaalsContact C-N 3.34Å; C320-A322 PolarHBondContact O-N 3.09Å; A322-G324 VanDerWaalsContact C-N 3.29Å
323A91.9Very high93.1Very high8 Ų839.9 Ų39.97%0.06625%0.246CC..THydrogen-bonded Turntrans-83.20.8176.400000114R276 M279 E280 L319 C320 S321 V325R276-A323 HydrophobicContact CG-CB 4.41Å; M279-A323 HydrophobicContact CB-CB 3.65Å; M279-A323 HydrophobicContact SD-CB 4.1Å; E280-A323 HydrophobicContact CG-CB 4.26Å; L319-A323 WeakPolarHBondContact O-CB 3.33Å; L319-A323 PolarHBondContact O-N 3.15Å; C320-A323 PolarHBondContact O-N 3.42Å; S321-A323 VanDerWaalsContact C-N 3.28Å; S321-A323 PolarHBondContact O-N 2.92Å; A323-V325 HydrophobicContact CB-CG2 4.49Å
324G90Very high93.4Very high32 Ų3243.3 Ų43.333%0.3326%0.26SS..THydrogen-bonded Turntrans76.625.4178.700000114.6C320 S321 A322C320-G324 PolarHBondContact O-N 2.87Å; S321-G324 PolarHBondContact O-N 2.84Å; S321-G324 VanDerWaalsContact O-N 3.16Å; A322-G324 VanDerWaalsContact C-N 3.29Å
325V95.6Very high93.9Very high5 Ų538.6 Ų38.63%0.0324%0.238CC..  trans-66.2133.6174175.70000109.9L239 M279 V289 V291 C320 A323 L327 I328L239-V325 HydrophobicContact CD1-CB 4.13Å; L239-V325 HydrophobicContact CD1-CG1 3.83Å; L239-V325 WeakPolarHBondContact CD1-O 3.22Å; M279-V325 HydrophobicContact CB-CG2 4.1Å; M279-V325 HydrophobicContact CG-CG2 3.99Å; M279-V325 HydrophobicContact SD-CG2 3.78Å; V289-V325 HydrophobicContact CG1-CG2 4.2Å; V291-V325 HydrophobicContact CB-CG1 4.14Å; V291-V325 HydrophobicContact CG2-CB 4.32Å; V291-V325 HydrophobicContact CG2-CG1 3.7Å; V291-V325 HydrophobicContact CG2-CG2 3.58Å; C320-V325 HydrophobicContact CB-CB 3.86Å; C320-V325 HydrophobicContact CB-CG1 4.23Å; C320-V325 HydrophobicContact CB-CG2 3.88Å; C320-V325 VanDerWaalsContact O-CB 3.28Å; C320-V325 WeakPolarHBondContact O-CB 3.32Å; C320-V325 WeakPolarHBondContact O-CG2 3.28Å; C320-V325 PolarHBondContact O-N 3.17Å; A323-V325 HydrophobicContact CB-CG2 4.49Å; V325-L327 WeakPolarHBondContact CG1-O 3.32Å; V325-I328 HydrophobicContact CG1-CG1 4.47Å
326A94.8Very high94.4Very high15 Ų1535.8 Ų35.812%0.12422%0.215CC..  trans-87-37-178.700000112.2K240 W255 H288 V289K240-A326 PolarHBondContact N-O 3.5Å; K240-A326 VanDerWaalsContact N-O 3.14Å; W255-A326 HydrophobicContact CH2-CB 3.91Å; W255-A326 HydrophobicContact CZ2-CB 3.92Å; H288-A326 HydrophobicContact CB-CB 4.21Å; V289-A326 PolarHBondContact O-N 3.21Å
327L97.6Very high94.6Very high1 Ų136.8 Ų36.81%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-142.4128.7-173.7-171.873.1000111.3K240 V242 V248 Q251 W255 V289 I290 V291 V325K240-L327 HydrophobicContact CB-CD1 3.91Å; K240-L327 HydrophobicContact CD-CD1 4.26Å; K240-L327 HydrophobicContact CG-CD1 4.2Å; K240-L327 CarbonylContact O-C 3.51Å; K240-L327 WeakPolarHBondContact O-CA 3.28Å; V242-L327 HydrophobicContact CB-CD1 4.37Å; V242-L327 HydrophobicContact CG1-CD1 3.75Å; V242-L327 HydrophobicContact CG2-CD1 3.73Å; V242-L327 HydrophobicContact CG2-CD2 4.23Å; V242-L327 HydrophobicContact CG2-CG 4.05Å; V248-L327 HydrophobicContact CG1-CD2 4.28Å; V248-L327 HydrophobicContact CG2-CD2 4.35Å; Q251-L327 HydrophobicContact CB-CD2 4.23Å; Q251-L327 HydrophobicContact CG-CD2 4.21Å; W255-L327 HydrophobicContact CH2-CB 3.88Å; W255-L327 HydrophobicContact CH2-CD2 4.36Å; V289-L327 PolarHBondContact O-N 3.4Å; I290-L327 CarbonylContact C-O 3.16Å; I290-L327 VanDerWaalsContact CA-O 3.29Å; I290-L327 WeakPolarHBondContact CA-O 3.28Å; I290-L327 HydrophobicContact CD1-CD2 4.41Å; I290-L327 HydrophobicContact CG1-CB 4.25Å; I290-L327 HydrophobicContact CG1-CD2 4.29Å; I290-L327 HydrophobicContact CG2-CD2 4.41Å; V291-L327 PolarHBondContact N-O 2.82Å; V325-L327 WeakPolarHBondContact CG1-O 3.32Å
328I98.4Very high94.8Very high0 Ų037.5 Ų37.50%023%0.228CC..EExtended strand (participates in β ladder)trans-98.2126.7162.8-74.8161.1000108.7L239 K240 T241 V242 V291 I293 Q317 C320 V325 H330L239-I328 HydrophobicContact CD1-CD1 3.86Å; L239-I328 HydrophobicContact CD1-CG1 3.87Å; L239-I328 HydrophobicContact CD2-CD1 3.68Å; L239-I328 HydrophobicContact CG-CD1 4.13Å; K240-I328 PolarHBondContact O-N 3.15Å; T241-I328 WeakPolarHBondContact CA-O 3.47Å; T241-I328 HydrophobicContact CG2-CB 4.28Å; T241-I328 HydrophobicContact CG2-CG2 3.98Å; V242-I328 WeakPolarHBondContact CG2-O 3.37Å; V242-I328 PolarHBondContact N-O 3.4Å; V291-I328 HydrophobicContact CB-CG1 4.43Å; V291-I328 CarbonylContact O-C 3.51Å; V291-I328 VanDerWaalsContact O-CA 3.26Å; V291-I328 WeakPolarHBondContact O-CA 3.12Å; I293-I328 HydrophobicContact CB-CG2 4.36Å; I293-I328 HydrophobicContact CD1-CD1 4.1Å; I293-I328 HydrophobicContact CD1-CG1 4.38Å; I293-I328 HydrophobicContact CD1-CG2 3.81Å; I293-I328 HydrophobicContact CG1-CG2 4.02Å; Q317-I328 HydrophobicContact CB-CD1 4.34Å; Q317-I328 HydrophobicContact CG-CD1 3.76Å; C320-I328 HydrophobicContact CB-CD1 3.77Å; C320-I328 HydrophobicContact CB-CG1 4.21Å; V325-I328 HydrophobicContact CG1-CG1 4.47Å; I328-H330 HydrophobicContact CG2-CB 3.99Å
329F98.6Very high95.2Very high0 Ų040 Ų400%025%0.248CC..EExtended strand (participates in β ladder)trans-95.5108.3165-178-143.9000109.4V242 I245 V248 V291 S292 I293 P331 M336 L373 I376V242-F329 HydrophobicContact CG2-CD2 4.37Å; I245-F329 HydrophobicContact CG1-CZ 3.86Å; V248-F329 HydrophobicContact CG2-CB 3.93Å; V248-F329 HydrophobicContact CG2-CD1 4.3Å; V248-F329 HydrophobicContact CG2-CD2 3.41Å; V248-F329 VanDerWaalsContact CG2-CD2 3.41Å; V248-F329 HydrophobicContact CG2-CE2 3.91Å; V248-F329 HydrophobicContact CG2-CG 3.63Å; V291-F329 PolarHBondContact O-N 2.81Å; S292-F329 CarbonylContact C-O 3.52Å; S292-F329 VanDerWaalsContact CA-O 3.26Å; S292-F329 WeakPolarHBondContact CA-O 3.4Å; I293-F329 PolarHBondContact N-O 2.87Å; F329-P331 HydrophobicContact CD1-CG 4.19Å; F329-P331 HydrophobicContact CD2-CB 4.32Å; F329-P331 HydrophobicContact CD2-CG 4.24Å; F329-P331 HydrophobicContact CE1-CB 4.27Å; F329-P331 HydrophobicContact CE1-CG 3.76Å; F329-P331 HydrophobicContact CE2-CB 3.58Å; F329-P331 HydrophobicContact CE2-CG 3.83Å; F329-P331 HydrophobicContact CG-CG 4.41Å; F329-P331 HydrophobicContact CZ-CB 3.55Å; F329-P331 HydrophobicContact CZ-CG 3.56Å; F329-P331 VanDerWaalsContact O-CD 3.3Å; F329-P331 WeakPolarHBondContact O-CD 3.42Å; F329-M336 HydrophobicContact CE1-SD 3.79Å; F329-M336 HydrophobicContact CZ-SD 3.94Å; F329-L373 HydrophobicContact CD1-CD2 3.86Å; F329-L373 HydrophobicContact CE1-CD2 3.93Å; F329-I376 HydrophobicContact CE1-CD1 4.15Å; F329-I376 HydrophobicContact CE1-CG2 4.11Å; F329-I376 HydrophobicContact CZ-CG2 4.48Å
330H98Very high95.4Very high43 Ų4341.5 Ų41.520%0.19927%0.273CS..  trans-119.971.1-180-175.334.2000110.4T241 V242 I293 I328T241-H330 HydrophobicContact CG2-CB 4.1Å; V242-H330 PolarHBondContact O-N 3.1Å; I293-H330 PolarHBondContact O-ND1 2.83Å; I328-H330 HydrophobicContact CG2-CB 3.99Å
331P98Very high95.5Very high4 Ų443.5 Ų43.53%0.02628%0.282CS..  trans-75155.8-178.831.8-34.7000112.4K243 F294 F329 E335 M336K243-P331 VanDerWaalsContact O-CA 3.32Å; K243-P331 WeakPolarHBondContact O-CA 3.46Å; F294-P331 HydrophobicContact CB-CG 4.18Å; F294-P331 HydrophobicContact CD2-CG 3.86Å; F294-P331 HydrophobicContact CG-CG 4.08Å; F329-P331 HydrophobicContact CD1-CG 4.19Å; F329-P331 HydrophobicContact CD2-CB 4.32Å; F329-P331 HydrophobicContact CD2-CG 4.24Å; F329-P331 HydrophobicContact CE1-CB 4.27Å; F329-P331 HydrophobicContact CE1-CG 3.76Å; F329-P331 HydrophobicContact CE2-CB 3.58Å; F329-P331 HydrophobicContact CE2-CG 3.83Å; F329-P331 HydrophobicContact CG-CG 4.41Å; F329-P331 HydrophobicContact CZ-CB 3.55Å; F329-P331 HydrophobicContact CZ-CG 3.56Å; F329-P331 VanDerWaalsContact O-CD 3.3Å; F329-P331 WeakPolarHBondContact O-CD 3.42Å; P331-E335 HydrophobicContact CB-CB 4.05Å; P331-E335 HydrophobicContact CB-CG 4.05Å; P331-M336 HydrophobicContact CB-CG 3.99Å; P331-M336 HydrophobicContact CB-SD 4.38Å; P331-M336 HydrophobicContact CG-CG 3.7Å; P331-M336 HydrophobicContact CG-SD 4Å
332E96.6Very high95.7Very high97 Ų9746.8 Ų46.845%0.45329%0.294SS..  trans-74.8163.6161.9-54.4-59.2156.800110.2K243 E334 E335K243-E332 IonicContact NZ-OE1 2.71Å; K243-E332 PolarHBondContact NZ-OE1 2.86Å; E332-E334 VanDerWaalsContact C-N 3.27Å; E332-E334 PolarHBondContact O-N 2.86Å; E332-E335 WeakPolarHBondContact O-CB 3.44Å; E332-E335 PolarHBondContact O-N 2.81Å
333V96.2Very high96.3Very high55 Ų5548.5 Ų48.533%0.33330%0.297SS..Hα-helixtrans-61.3-39.2-178172.60000111.3F294 P297 E335 M336 Y337F294-V333 HydrophobicContact CE2-CG2 4.06Å; F294-V333 HydrophobicContact CZ-CG2 4.47Å; P297-V333 HydrophobicContact CG-CG1 3.84Å; P297-V333 HydrophobicContact CG-CG2 4.21Å; V333-E335 VanDerWaalsContact C-N 3.28Å; V333-E335 PolarHBondContact O-N 3.01Å; V333-M336 PolarHBondContact O-N 2.95Å; V333-M336 VanDerWaalsContact O-N 3.15Å; V333-Y337 HydrophobicContact CG1-CD2 4.2Å; V333-Y337 PolarHBondContact O-N 3.41Å
334E97.2Very high96.5Very high131 Ų13152.7 Ų52.761%0.61231%0.312SS*.Hα-helixtrans-67.6-28.4-176.7-63.470.7-156.400112.5E332 Y337 P338E332-E334 VanDerWaalsContact C-N 3.27Å; E332-E334 PolarHBondContact O-N 2.86Å; E334-Y337 CarbonylContact O-C 3.54Å; E334-P338 WeakPolarHBondContact O-CA 3.28Å
335E98Very high96.8Very high68 Ų6852.5 Ų52.532%0.31830%0.304SS..Hα-helixtrans-68.4-39174.2-178.866.8-173.300110.6I245 P331 E332 V333I245-E335 VanDerWaalsContact CB-OE1 3.28Å; I245-E335 WeakPolarHBondContact CB-OE1 3.45Å; I245-E335 HydrophobicContact CD1-CG 4.11Å; I245-E335 WeakPolarHBondContact CD1-O 3.44Å; I245-E335 HydrophobicContact CG1-CG 3.97Å; I245-E335 VanDerWaalsContact CG1-OE1 3.27Å; I245-E335 WeakPolarHBondContact CG1-OE1 3.48Å; I245-E335 PolarHBondContact N-OE1 3.14Å; P331-E335 HydrophobicContact CB-CB 4.05Å; P331-E335 HydrophobicContact CB-CG 4.05Å; E332-E335 WeakPolarHBondContact O-CB 3.44Å; E332-E335 PolarHBondContact O-N 2.81Å; V333-E335 VanDerWaalsContact C-N 3.28Å; V333-E335 PolarHBondContact O-N 3.01Å
336M98Very high96.7Very high0 Ų057.7 Ų57.70%033%0.328CS..Hα-helixtrans-80.5-40.1177.8-66.1-59.2-72.400111.6F294 F329 P331 V333 V369 K372 L373 I376F294-M336 HydrophobicContact CD1-CG 4.25Å; F294-M336 HydrophobicContact CD2-CG 4.34Å; F294-M336 HydrophobicContact CE1-CB 4.02Å; F294-M336 HydrophobicContact CE1-CG 3.85Å; F294-M336 HydrophobicContact CE2-CB 4.3Å; F294-M336 HydrophobicContact CE2-CG 3.96Å; F294-M336 HydrophobicContact CG-CG 4.48Å; F294-M336 HydrophobicContact CZ-CB 3.7Å; F294-M336 HydrophobicContact CZ-CG 3.69Å; F329-M336 HydrophobicContact CE1-SD 3.79Å; F329-M336 HydrophobicContact CZ-SD 3.94Å; P331-M336 HydrophobicContact CB-CG 3.99Å; P331-M336 HydrophobicContact CB-SD 4.38Å; P331-M336 HydrophobicContact CG-CG 3.7Å; P331-M336 HydrophobicContact CG-SD 4Å; V333-M336 PolarHBondContact O-N 2.95Å; V333-M336 VanDerWaalsContact O-N 3.15Å; M336-V369 HydrophobicContact CE-CG2 4.09Å; M336-K372 HydrophobicContact CE-CB 4.1Å; M336-K372 WeakPolarHBondContact O-CE 3.39Å; M336-K372 PolarHBondContact O-NZ 2.96Å; M336-L373 HydrophobicContact CE-CD2 3.85Å; M336-L373 HydrophobicContact CE-CG 4.05Å; M336-I376 HydrophobicContact CE-CD1 4.04Å; M336-I376 HydrophobicContact SD-CD1 3.93Å
337Y97.3Very high96.5Very high24 Ų2457.6 Ų57.69%0.09433%0.327CS..SBendtrans-129.380.6-173.9-56.8-66.3000109.6F294 N296 P297 T298 V333 E334 F341 T368 V369 K372F294-Y337 AromaticContact CE1-CE2 3.88Å; F294-Y337 HydrophobicContact CE1-CE2 3.88Å; F294-Y337 HydrophobicContact CZ-CD2 4.16Å; F294-Y337 AromaticContact CZ-CE2 3.8Å; F294-Y337 HydrophobicContact CZ-CE2 3.8Å; N296-Y337 VanDerWaalsContact OD1-CE2 3.22Å; N296-Y337 WeakPolarHBondContact OD1-CE2 3.32Å; N296-Y337 VanDerWaalsContact OD1-CZ 3.31Å; N296-Y337 PolarHBondContact OD1-OH 2.77Å; P297-Y337 HydrophobicContact CG-CD2 4.42Å; P297-Y337 HydrophobicContact CG-CE2 4.41Å; T298-Y337 HydrophobicContact CG2-CD1 4.31Å; T298-Y337 HydrophobicContact CG2-CD2 4.25Å; T298-Y337 HydrophobicContact CG2-CE1 3.9Å; T298-Y337 HydrophobicContact CG2-CE2 3.81Å; T298-Y337 HydrophobicContact CG2-CG 4.46Å; T298-Y337 PolarHBondContact OG1-OH 2.6Å; T298-Y337 VanDerWaalsContact OG1-OH 3.06Å; V333-Y337 HydrophobicContact CG1-CD2 4.2Å; V333-Y337 PolarHBondContact O-N 3.41Å; E334-Y337 CarbonylContact O-C 3.54Å; Y337-F341 AromaticContact CD1-CD1 3.72Å; Y337-F341 HydrophobicContact CD1-CD1 3.72Å; Y337-F341 HydrophobicContact CD1-CD2 4.06Å; Y337-F341 AromaticContact CD1-CE1 3.64Å; Y337-F341 HydrophobicContact CD1-CE1 3.64Å; Y337-F341 HydrophobicContact CD1-CE2 4Å; Y337-F341 AromaticContact CD1-CG 3.91Å; Y337-F341 HydrophobicContact CD1-CG 3.91Å; Y337-F341 AromaticContact CD1-CZ 3.79Å; Y337-F341 HydrophobicContact CD1-CZ 3.79Å; Y337-F341 HydrophobicContact CE1-CD1 4.37Å; Y337-F341 AromaticContact CE1-CE1 3.87Å; Y337-F341 HydrophobicContact CE1-CE1 3.87Å; Y337-F341 AromaticContact CE1-CZ 3.95Å; Y337-F341 HydrophobicContact CE1-CZ 3.95Å; Y337-T368 HydrophobicContact CE1-CG2 4.38Å; Y337-V369 WeakPolarHBondContact OH-CB 3.38Å; Y337-K372 HydrophobicContact CE1-CD 4.28Å
338P96.7Very high96.2Very high70 Ų7063.7 Ų63.746%0.45535%0.353SS..  trans-62.6163.2178.825.7-35.8000111.7E334 G340 F341E334-P338 WeakPolarHBondContact O-CA 3.28Å; P338-G340 PolarHBondContact O-N 3.42Å; P338-F341 VanDerWaalsContact O-CB 3.28Å; P338-F341 WeakPolarHBondContact O-CB 3.5Å; P338-F341 PolarHBondContact O-N 2.92Å
339A95.7Very high95.7Very high112 Ų11265 Ų6593%0.92637%0.367SS*.THydrogen-bonded Turntrans-52.2130.117700000111.4
340G95.5Very high95.3Very high67 Ų6765.3 Ų65.369%0.69137%0.369SS*.THydrogen-bonded Turntrans8114-177.200000115.1P338 N342P338-G340 PolarHBondContact O-N 3.42Å; G340-N342 PolarHBondContact O-N 3.18Å; G340-N342 PolarHBondContact O-ND2 2.89Å
341F95.3Very high95Very high43 Ų4364.1 Ų64.119%0.18937%0.365CS..  trans-57.1119.1173.8-170.9-88.1000111.6Y337 P338 T343 Y344 T368 K372Y337-F341 AromaticContact CD1-CD1 3.72Å; Y337-F341 HydrophobicContact CD1-CD1 3.72Å; Y337-F341 HydrophobicContact CD1-CD2 4.06Å; Y337-F341 AromaticContact CD1-CE1 3.64Å; Y337-F341 HydrophobicContact CD1-CE1 3.64Å; Y337-F341 HydrophobicContact CD1-CE2 4Å; Y337-F341 AromaticContact CD1-CG 3.91Å; Y337-F341 HydrophobicContact CD1-CG 3.91Å; Y337-F341 AromaticContact CD1-CZ 3.79Å; Y337-F341 HydrophobicContact CD1-CZ 3.79Å; Y337-F341 HydrophobicContact CE1-CD1 4.37Å; Y337-F341 AromaticContact CE1-CE1 3.87Å; Y337-F341 HydrophobicContact CE1-CE1 3.87Å; Y337-F341 AromaticContact CE1-CZ 3.95Å; Y337-F341 HydrophobicContact CE1-CZ 3.95Å; P338-F341 VanDerWaalsContact O-CB 3.28Å; P338-F341 WeakPolarHBondContact O-CB 3.5Å; P338-F341 PolarHBondContact O-N 2.92Å; F341-T343 WeakPolarHBondContact CE1-O 3.47Å; F341-T343 WeakPolarHBondContact CZ-O 3.28Å; F341-Y344 HydrophobicContact CD1-CE1 4.26Å; F341-Y344 HydrophobicContact CD1-CE2 4.36Å; F341-Y344 AromaticContact CD1-CZ 3.92Å; F341-Y344 HydrophobicContact CE1-CD1 4.26Å; F341-Y344 AromaticContact CE1-CE1 3.9Å; F341-Y344 HydrophobicContact CE1-CE1 3.9Å; F341-Y344 HydrophobicContact CE1-CE2 4.41Å; F341-Y344 AromaticContact CE1-CZ 3.98Å; F341-T368 HydrophobicContact CE1-CG2 4.11Å; F341-T368 HydrophobicContact CZ-CG2 3.92Å; F341-K372 HydrophobicContact CE2-CD 4.3Å; F341-K372 HydrophobicContact CZ-CD 4.18Å
342N94.8Very high94.6Very high137 Ų13770 Ų7073%0.73339%0.392SS*.  trans-136.714-175.7-77.2-60.8000113.1G340G340-N342 PolarHBondContact O-N 3.18Å; G340-N342 PolarHBondContact O-ND2 2.89Å
343T97.3Very high94.3Very high107 Ų10767 Ų6766%0.65638%0.38SS*.  trans-109.3115.3-176.2-54.10000110.3F341F341-T343 WeakPolarHBondContact CE1-O 3.47Å; F341-T343 WeakPolarHBondContact CZ-O 3.28Å
344Y97Very high94.2Very high95 Ų9565 Ų6537%0.37337%0.367SS..  trans-125153.2-179.9-61.9-88.4000110.8T298 F341 R364 T368T298-Y344 HydrophobicContact CG2-CE1 4.39Å; F341-Y344 HydrophobicContact CD1-CE1 4.26Å; F341-Y344 HydrophobicContact CD1-CE2 4.36Å; F341-Y344 AromaticContact CD1-CZ 3.92Å; F341-Y344 HydrophobicContact CE1-CD1 4.26Å; F341-Y344 AromaticContact CE1-CE1 3.9Å; F341-Y344 HydrophobicContact CE1-CE1 3.9Å; F341-Y344 HydrophobicContact CE1-CE2 4.41Å; F341-Y344 AromaticContact CE1-CZ 3.98Å; Y344-R364 HydrophobicContact CD1-CG 4.43Å; Y344-R364 HydrophobicContact CG-CG 4.46Å; Y344-T368 WeakPolarHBondContact CA-OG1 3.23Å; Y344-T368 HydrophobicContact CD1-CG2 4.11Å
345V96.4Very high93.9Very high29 Ų2959.4 Ų59.418%0.17634%0.341CS..  trans-103.7127.8172.4-176.60000107.3T367 T368 L371 M398 L402V345-T367 PolarHBondContact O-OG1 3.26Å; V345-T368 PolarHBondContact N-OG1 3.31Å; V345-L371 HydrophobicContact CG2-CB 4.39Å; V345-L371 HydrophobicContact CG2-CD2 3.45Å; V345-L371 VanDerWaalsContact CG2-CD2 3.45Å; V345-M398 HydrophobicContact CG1-CG 4.27Å; V345-M398 HydrophobicContact CG1-SD 4.17Å; V345-L402 HydrophobicContact CG1-CD1 4.13Å
346E93.8Very high93.6Very high113 Ų11356.5 Ų56.553%0.52833%0.329SS..  trans-122.3143.2176.4-166.4159.2-135.600109.2F348E346-F348 HydrophobicContact CB-CZ 4.41Å; E346-F348 HydrophobicContact CG-CE1 4.08Å; E346-F348 HydrophobicContact CG-CE2 4.36Å; E346-F348 HydrophobicContact CG-CZ 3.83Å
347S89.6Confident93.2Very high14 Ų1459.5 Ų59.510%0.09836%0.355CS..  trans-129148.6176.9-160.20000107.6T351 Q397S347-T351 WeakPolarHBondContact O-CB 3.29Å; S347-T351 WeakPolarHBondContact O-CG2 3.5Å; S347-T351 PolarHBondContact O-OG1 3.47Å; S347-Q397 PolarHBondContact OG-NE2 2.69Å
348F91.3Very high92.7Very high128 Ų12860.5 Ų60.556%0.56137%0.365SS*.  trans-120.6167.8-175.2-56.7-81.4000110.9E346 V350 Q397E346-F348 HydrophobicContact CB-CZ 4.41Å; E346-F348 HydrophobicContact CG-CE1 4.08Å; E346-F348 HydrophobicContact CG-CE2 4.36Å; E346-F348 HydrophobicContact CG-CZ 3.83Å; F348-V350 PolarHBondContact O-N 2.86Å; F348-Q397 PolarHBondContact O-NE2 3.48Å
349G89.1Confident92.4Very high27 Ų2758.2 Ų58.228%0.27835%0.347SS..SBendtrans82.1-85.1-175.900000112.2T351 E352G349-T351 PolarHBondContact O-N 3.35Å; G349-T351 VanDerWaalsContact O-N 3.09Å; G349-E352 WeakPolarHBondContact CA-OE2 3.48Å; G349-E352 PolarHBondContact N-OE2 3.12Å; G349-E352 PolarHBondContact O-N 3.4Å; G349-E352 VanDerWaalsContact O-N 3.13Å
350V89.8Confident92Very high8 Ų858.2 Ų58.25%0.04834%0.338CS..THydrogen-bonded Turntrans-65.7-14-176.5-67.60000114F348 Q390 V394 Q397 L488F348-V350 PolarHBondContact O-N 2.86Å; V350-Q390 PolarHBondContact O-NE2 2.85Å; V350-V394 HydrophobicContact CB-CG2 4.38Å; V350-V394 HydrophobicContact CG2-CB 4.49Å; V350-V394 HydrophobicContact CG2-CG2 3.8Å; V350-Q397 HydrophobicContact CG2-CB 4.42Å; V350-L488 HydrophobicContact CB-CD1 4.02Å; V350-L488 HydrophobicContact CG1-CD1 4.24Å; V350-L488 HydrophobicContact CG1-CG 4.33Å
351T90.5Very high91.6Very high18 Ų1856.7 Ų56.711%0.1132%0.319CS..THydrogen-bonded Turntrans-96.5-8.2178.6530000113.5S347 G349 V353 G356 F363 V394S347-T351 WeakPolarHBondContact O-CB 3.29Å; S347-T351 WeakPolarHBondContact O-CG2 3.5Å; S347-T351 PolarHBondContact O-OG1 3.47Å; G349-T351 PolarHBondContact O-N 3.35Å; G349-T351 VanDerWaalsContact O-N 3.09Å; T351-V353 VanDerWaalsContact C-N 3.31Å; T351-G356 CarbonylContact O-C 3.55Å; T351-G356 WeakPolarHBondContact O-CA 3.47Å; T351-F363 HydrophobicContact CG2-CB 3.64Å; T351-F363 HydrophobicContact CG2-CD2 3.99Å; T351-F363 HydrophobicContact CG2-CG 3.92Å; T351-V394 HydrophobicContact CG2-CG1 3.97Å; T351-V394 HydrophobicContact CG2-CG2 3.72Å
352E90.3Very high91.5Very high127 Ų12755.3 Ų55.359%0.59331%0.313SS*.SBendtrans-91.92.1-175-64.8174.6109.700112.5G349G349-E352 WeakPolarHBondContact CA-OE2 3.48Å; G349-E352 PolarHBondContact N-OE2 3.12Å; G349-E352 PolarHBondContact O-N 3.4Å; G349-E352 VanDerWaalsContact O-N 3.13Å
353V91.3Very high91.6Very high35 Ų3549.2 Ų49.221%0.21228%0.28CS..SBendtrans-124.3170-177-62.50000111T351 E355 G356 A357 Q390 L488T351-V353 VanDerWaalsContact C-N 3.31Å; V353-E355 PolarHBondContact O-N 2.87Å; V353-G356 PolarHBondContact O-N 3.42Å; V353-A357 PolarHBondContact O-N 2.99Å; V353-Q390 PolarHBondContact O-NE2 3.24Å; V353-L488 HydrophobicContact CG2-CB 4.14Å
354L93.1Very high91.5Very high12 Ų1248.9 Ų48.96%0.06327%0.266CS..Hα-helixtrans53.3-120.9169.3-54.3175.3000113.3G356 A357 S358 Y479 E481 P501L354-G356 PolarHBondContact O-N 2.95Å; L354-A357 PolarHBondContact O-N 3.04Å; L354-S358 WeakPolarHBondContact O-CB 3.42Å; L354-S358 PolarHBondContact O-N 3.3Å; L354-S358 PolarHBondContact O-OG 3.39Å; L354-Y479 HydrophobicContact CB-CE1 4.36Å; L354-Y479 HydrophobicContact CB-CE2 4.36Å; L354-Y479 HydrophobicContact CD2-CD2 3.9Å; L354-Y479 HydrophobicContact CD2-CE2 3.79Å; L354-E481 HydrophobicContact CD2-CB 3.66Å; L354-E481 HydrophobicContact CD2-CG 3.6Å; L354-P501 HydrophobicContact CD1-CB 4.38Å; L354-P501 HydrophobicContact CD1-CG 3.63Å; L354-P501 HydrophobicContact CD2-CG 3.72Å; L354-P501 HydrophobicContact CG-CG 4.31Å
355E92.1Very high91.5Very high13 Ų1344.4 Ų44.46%0.06125%0.249CC..Hα-helixtrans-60.3-33.3177.9-69.8-65.9125.200112.2V353 S358 R359 F363 Y479 R510 I512V353-E355 PolarHBondContact O-N 2.87Å; E355-S358 CarbonylContact O-C 3.59Å; E355-S358 PolarHBondContact O-N 2.98Å; E355-R359 WeakPolarHBondContact O-CA 3.47Å; E355-R359 VanDerWaalsContact O-CB 3.29Å; E355-R359 WeakPolarHBondContact O-CB 3.32Å; E355-R359 PolarHBondContact O-N 3.04Å; E355-R359 WeakPolarHBondContact OE2-CD 3.25Å; E355-R359 IonicContact OE2-NH1 3.5Å; E355-F363 HydrophobicContact CB-CE2 3.79Å; E355-F363 HydrophobicContact CB-CZ 3.78Å; E355-Y479 WeakPolarHBondContact OE1-CE1 3.46Å; E355-Y479 PolarHBondContact OE1-OH 3.13Å; E355-Y479 VanDerWaalsContact OE1-OH 3.07Å; E355-R510 IonicContact OE1-CZ 3.8Å; E355-R510 IonicContact OE1-NH1 2.86Å; E355-R510 PolarHBondContact OE1-NH1 3.39Å; E355-R510 IonicContact OE1-NH2 2.64Å; E355-R510 PolarHBondContact OE1-NH2 3.44Å; E355-R510 IonicContact OE2-CZ 3.91Å; E355-R510 IonicContact OE2-NH1 3.7Å; E355-R510 PolarHBondContact OE2-NH1 2.99Å; E355-R510 IonicContact OE2-NH2 2.79Å; E355-R510 PolarHBondContact OE2-NH2 3.18Å; E355-I512 WeakPolarHBondContact OE1-CG2 3.49Å
356G90.1Very high91.5Very high7 Ų743 Ų437%0.07224%0.241CC..Hα-helixtrans-76-34.9-176.900000112.3T351 V353 L354 R359 P360T351-G356 CarbonylContact O-C 3.55Å; T351-G356 WeakPolarHBondContact O-CA 3.47Å; V353-G356 PolarHBondContact O-N 3.42Å; L354-G356 PolarHBondContact O-N 2.95Å; G356-R359 CarbonylContact O-C 3.54Å; G356-P360 WeakPolarHBondContact O-CA 3.3Å
357A90.1Very high91.7Very high64 Ų6437.7 Ų37.753%0.52922%0.216SC..Hα-helixtrans-65.8-39.616700000111.7V353 L354V353-A357 PolarHBondContact O-N 2.99Å; L354-A357 PolarHBondContact O-N 3.04Å
358S87.6Confident92.1Very high44 Ų4437.1 Ų37.131%0.30821%0.212SC..Hα-helixtrans-73.3-28.9-179.8-52.40000112.7L354 E355L354-S358 WeakPolarHBondContact O-CB 3.42Å; L354-S358 PolarHBondContact O-N 3.3Å; L354-S358 PolarHBondContact O-OG 3.39Å; E355-S358 CarbonylContact O-C 3.59Å; E355-S358 PolarHBondContact O-N 2.98Å
359R90.3Very high92.4Very high22 Ų2231.4 Ų31.48%0.08319%0.188CC..SBendtrans-13979.4-173.7-56.5169.166.9-155.9-0.1109.6Q299 E304 E355 G356 A361 H362Q299-R359 PolarHBondContact O-NH2 3.04Å; E304-R359 IonicContact OE1-CZ 3.9Å; E304-R359 IonicContact OE1-NE 3.18Å; E304-R359 PolarHBondContact OE1-NE 3.3Å; E304-R359 IonicContact OE1-NH2 3.61Å; E304-R359 IonicContact OE2-CZ 3.55Å; E304-R359 IonicContact OE2-NE 2.69Å; E304-R359 PolarHBondContact OE2-NE 3.47Å; E304-R359 IonicContact OE2-NH2 2.77Å; E304-R359 PolarHBondContact OE2-NH2 2.84Å; E355-R359 WeakPolarHBondContact O-CA 3.47Å; E355-R359 VanDerWaalsContact O-CB 3.29Å; E355-R359 WeakPolarHBondContact O-CB 3.32Å; E355-R359 PolarHBondContact O-N 3.04Å; E355-R359 WeakPolarHBondContact OE2-CD 3.25Å; E355-R359 IonicContact OE2-NH1 3.5Å; G356-R359 CarbonylContact O-C 3.54Å; R359-A361 PolarHBondContact O-N 3.16Å; R359-H362 HydrophobicContact CB-CB 3.6Å; R359-H362 PolarHBondContact NH1-CD2 3.38Å; R359-H362 PolarHBondContact NH1-CE1 2.69Å; R359-H362 PolarHBondContact NH1-ND1 3.38Å; R359-H362 PolarHBondContact NH1-NE2 2.94Å; R359-H362 VanDerWaalsContact NH1-NE2 3.19Å; R359-H362 PolarHBondContact NH2-CE1 2.86Å; R359-H362 PolarHBondContact NH2-ND1 2.96Å; R359-H362 WeakPolarHBondContact O-CB 3.35Å; R359-H362 PolarHBondContact O-N 3.5Å
360P86.5Confident92.8Very high113 Ų11330.4 Ų30.473%0.73418%0.176SC*.THydrogen-bonded Turntrans-55.1-30.1-168.2-30.436.5000116.2G356G356-P360 WeakPolarHBondContact O-CA 3.3Å
361A87.9Confident93.2Very high35 Ų3531.8 Ų31.829%0.28918%0.183SC..THydrogen-bonded Turntrans-93.4-7.9179.600000114.1R359 G365R359-A361 PolarHBondContact O-N 3.16Å; A361-G365 PolarHBondContact O-N 3.24Å
362H93.3Very high93.6Very high14 Ų1433.2 Ų33.27%0.06519%0.188CC..Hα-helixtrans-62.7-53.9-166.9-179.455.5000112.2Q299 R359 R364 G365 V366Q299-H362 PolarHBondContact O-ND1 3.03Å; R359-H362 HydrophobicContact CB-CB 3.6Å; R359-H362 PolarHBondContact NH1-CD2 3.38Å; R359-H362 PolarHBondContact NH1-CE1 2.69Å; R359-H362 PolarHBondContact NH1-ND1 3.38Å; R359-H362 PolarHBondContact NH1-NE2 2.94Å; R359-H362 VanDerWaalsContact NH1-NE2 3.19Å; R359-H362 PolarHBondContact NH2-CE1 2.86Å; R359-H362 PolarHBondContact NH2-ND1 2.96Å; R359-H362 WeakPolarHBondContact O-CB 3.35Å; R359-H362 PolarHBondContact O-N 3.5Å; H362-R364 PolarHBondContact O-N 2.8Å; H362-G365 WeakPolarHBondContact O-CA 3.41Å; H362-G365 PolarHBondContact O-N 3.04Å; H362-G365 VanDerWaalsContact O-N 3.09Å; H362-V366 WeakPolarHBondContact O-CG2 3.43Å; H362-V366 PolarHBondContact O-N 3.39Å
363F96Very high94Very high8 Ų827.4 Ų27.44%0.03516%0.161CC..Hα-helixtrans-69.7-31.3-174.7-74.8-56.5000113.6T351 E355 G365 V366 T367 Q390 Q391 V394T351-F363 HydrophobicContact CG2-CB 3.64Å; T351-F363 HydrophobicContact CG2-CD2 3.99Å; T351-F363 HydrophobicContact CG2-CG 3.92Å; E355-F363 HydrophobicContact CB-CE2 3.79Å; E355-F363 HydrophobicContact CB-CZ 3.78Å; F363-G365 VanDerWaalsContact C-N 3.26Å; F363-G365 PolarHBondContact O-N 3.07Å; F363-V366 HydrophobicContact CD1-CB 4.41Å; F363-V366 PolarHBondContact O-N 3.14Å; F363-V366 VanDerWaalsContact O-N 3.15Å; F363-T367 WeakPolarHBondContact O-CG2 3.4Å; F363-T367 PolarHBondContact O-N 2.99Å; F363-T367 PolarHBondContact O-OG1 3.12Å; F363-Q390 HydrophobicContact CE1-CG 4.33Å; F363-Q390 HydrophobicContact CE2-CG 3.82Å; F363-Q390 HydrophobicContact CZ-CB 4.07Å; F363-Q390 HydrophobicContact CZ-CG 3.45Å; F363-Q390 VanDerWaalsContact CZ-CG 3.45Å; F363-Q391 HydrophobicContact CE1-CB 4.22Å; F363-V394 HydrophobicContact CB-CG1 4.45Å; F363-V394 HydrophobicContact CD1-CB 4.24Å; F363-V394 HydrophobicContact CD1-CG1 4.05Å; F363-V394 HydrophobicContact CD1-CG2 3.93Å; F363-V394 HydrophobicContact CD2-CG2 4.44Å; F363-V394 HydrophobicContact CE1-CB 4.48Å; F363-V394 HydrophobicContact CE1-CG2 4.02Å; F363-V394 HydrophobicContact CE2-CG2 4.49Å; F363-V394 HydrophobicContact CG-CG1 4.39Å; F363-V394 HydrophobicContact CG-CG2 4.17Å; F363-V394 HydrophobicContact CZ-CG2 4.31Å
364R95.7Very high94.4Very high100 Ų10026 Ų2638%0.37715%0.152SC..Hα-helixtrans-59.8-39.4170.8-172.2-177.570.2179.51.3111.4Y344 H362 T367 T368Y344-R364 HydrophobicContact CD1-CG 4.43Å; Y344-R364 HydrophobicContact CG-CG 4.46Å; H362-R364 PolarHBondContact O-N 2.8Å; R364-T367 WeakPolarHBondContact CA-OG1 3.47Å; R364-T367 PolarHBondContact O-OG1 3.43Å; R364-T368 VanDerWaalsContact O-CB 3.24Å; R364-T368 WeakPolarHBondContact O-CB 3.45Å; R364-T368 PolarHBondContact O-N 3.19Å; R364-T368 PolarHBondContact O-OG1 3.4Å
365G95.7Very high94.6Very high1 Ų130.8 Ų30.81%0.0117%0.174CC..Hα-helixtrans-64.1-45.1172.700000112.4N296 T298 A361 H362 F363 V369N296-G365 PolarHBondContact ND2-O 3.28Å; T298-G365 WeakPolarHBondContact OG1-CA 3.36Å; A361-G365 PolarHBondContact O-N 3.24Å; H362-G365 WeakPolarHBondContact O-CA 3.41Å; H362-G365 PolarHBondContact O-N 3.04Å; H362-G365 VanDerWaalsContact O-N 3.09Å; F363-G365 VanDerWaalsContact C-N 3.26Å; F363-G365 PolarHBondContact O-N 3.07Å; G365-V369 PolarHBondContact O-N 3.31Å
366V97Very high94.9Very high1 Ų130.4 Ų30.41%0.00617%0.172CC..Hα-helixtrans-64.5-52.6179.9173.70000112.3Q299 H362 F363 T368 V369 V370 Q391Q299-V366 HydrophobicContact CB-CG2 4.13Å; H362-V366 WeakPolarHBondContact O-CG2 3.43Å; H362-V366 PolarHBondContact O-N 3.39Å; F363-V366 HydrophobicContact CD1-CB 4.41Å; F363-V366 PolarHBondContact O-N 3.14Å; F363-V366 VanDerWaalsContact O-N 3.15Å; V366-T368 VanDerWaalsContact C-N 3.29Å; V366-T368 PolarHBondContact O-N 3.18Å; V366-V369 WeakPolarHBondContact O-CG1 3.37Å; V366-V369 PolarHBondContact O-N 2.85Å; V366-V370 HydrophobicContact CG1-CG2 4.08Å; V366-V370 VanDerWaalsContact O-CB 3.29Å; V366-V370 WeakPolarHBondContact O-CB 3.41Å; V366-V370 VanDerWaalsContact O-CG2 3.23Å; V366-V370 WeakPolarHBondContact O-CG2 3.39Å; V366-V370 PolarHBondContact O-N 3.22Å; V366-Q391 HydrophobicContact CG1-CG 3.87Å
367T97.9Very high95.3Very high0 Ų030 Ų300%017%0.169CC..Hα-helixtrans-58.7-42.4178.647.10000111.1V345 F363 R364 L371 V394 M398V345-T367 PolarHBondContact O-OG1 3.26Å; F363-T367 WeakPolarHBondContact O-CG2 3.4Å; F363-T367 PolarHBondContact O-N 2.99Å; F363-T367 PolarHBondContact O-OG1 3.12Å; R364-T367 WeakPolarHBondContact CA-OG1 3.47Å; R364-T367 PolarHBondContact O-OG1 3.43Å; T367-L371 VanDerWaalsContact O-CB 3.24Å; T367-L371 WeakPolarHBondContact O-CB 3.49Å; T367-L371 PolarHBondContact O-N 3.24Å; T367-V394 HydrophobicContact CG2-CG1 3.61Å; T367-M398 HydrophobicContact CG2-SD 3.93Å; T367-M398 VanDerWaalsContact O-SD 3.34Å
368T98Very high95.7Very high3 Ų331.1 Ų31.12%0.01816%0.163CC..Hα-helixtrans-62.9-49.5178.2-57.20000111.7Y337 F341 Y344 V345 R364 V366 K372Y337-T368 HydrophobicContact CE1-CG2 4.38Å; F341-T368 HydrophobicContact CE1-CG2 4.11Å; F341-T368 HydrophobicContact CZ-CG2 3.92Å; Y344-T368 WeakPolarHBondContact CA-OG1 3.23Å; Y344-T368 HydrophobicContact CD1-CG2 4.11Å; V345-T368 PolarHBondContact N-OG1 3.31Å; R364-T368 VanDerWaalsContact O-CB 3.24Å; R364-T368 WeakPolarHBondContact O-CB 3.45Å; R364-T368 PolarHBondContact O-N 3.19Å; R364-T368 PolarHBondContact O-OG1 3.4Å; V366-T368 VanDerWaalsContact C-N 3.29Å; V366-T368 PolarHBondContact O-N 3.18Å; T368-K372 HydrophobicContact CG2-CD 4.34Å; T368-K372 WeakPolarHBondContact O-CG 3.5Å; T368-K372 PolarHBondContact O-N 3.33Å; T368-K372 VanDerWaalsContact O-N 3.14Å
369V98Very high96.2Very high8 Ų829.2 Ų29.25%0.04815%0.149CC..Hα-helixtrans-70.7-41-177.977.60000111.9F294 N296 M336 Y337 G365 V366 K372 L373F294-V369 HydrophobicContact CD1-CG2 3.95Å; F294-V369 HydrophobicContact CE1-CG2 3.86Å; N296-V369 HydrophobicContact CB-CB 4.43Å; N296-V369 HydrophobicContact CB-CG1 4.25Å; N296-V369 HydrophobicContact CB-CG2 4.21Å; N296-V369 WeakPolarHBondContact ND2-CG1 3.5Å; M336-V369 HydrophobicContact CE-CG2 4.09Å; Y337-V369 WeakPolarHBondContact OH-CB 3.38Å; G365-V369 PolarHBondContact O-N 3.31Å; V366-V369 WeakPolarHBondContact O-CG1 3.37Å; V366-V369 PolarHBondContact O-N 2.85Å; V369-K372 PolarHBondContact O-N 3.45Å; V369-L373 HydrophobicContact CG2-CD1 4.04Å; V369-L373 HydrophobicContact CG2-CG 4.37Å; V369-L373 WeakPolarHBondContact O-CB 3.3Å; V369-L373 VanDerWaalsContact O-CG 3.26Å; V369-L373 WeakPolarHBondContact O-CG 3.47Å; V369-L373 PolarHBondContact O-N 2.97Å
370V98.3Very high96.6Very high5 Ų530.6 Ų30.63%0.0316%0.158CC..Hα-helixtrans-65.4-42.8-179.8172.10000110.2V366 K372 L373 I374 F384 V395 M398V366-V370 HydrophobicContact CG1-CG2 4.08Å; V366-V370 VanDerWaalsContact O-CB 3.29Å; V366-V370 WeakPolarHBondContact O-CB 3.41Å; V366-V370 VanDerWaalsContact O-CG2 3.23Å; V366-V370 WeakPolarHBondContact O-CG2 3.39Å; V366-V370 PolarHBondContact O-N 3.22Å; V370-K372 PolarHBondContact O-N 3.35Å; V370-L373 PolarHBondContact O-N 3.12Å; V370-I374 HydrophobicContact CG1-CD1 3.74Å; V370-I374 HydrophobicContact CG1-CG1 4.38Å; V370-I374 VanDerWaalsContact O-CG1 3.31Å; V370-I374 WeakPolarHBondContact O-CG1 3.29Å; V370-I374 PolarHBondContact O-N 3.47Å; V370-F384 HydrophobicContact CG1-CZ 4.03Å; V370-F384 HydrophobicContact CG2-CE1 4.47Å; V370-F384 HydrophobicContact CG2-CZ 4.26Å; V370-V395 HydrophobicContact CG1-CG1 3.98Å; V370-V395 HydrophobicContact CG1-CG2 4.12Å; V370-V395 HydrophobicContact CG2-CG2 4.39Å; V370-M398 HydrophobicContact CB-CE 4.4Å; V370-M398 HydrophobicContact CG1-CE 4.03Å
371L98.5Very high97.2Very high38 Ų3828.7 Ų28.720%0.19914%0.137CC..Hα-helixtrans-58.5-48.4173.8178.360.7000111.3V345 T367 L373 I374 Q375 M398 L402 I404V345-L371 HydrophobicContact CG2-CB 4.39Å; V345-L371 HydrophobicContact CG2-CD2 3.45Å; V345-L371 VanDerWaalsContact CG2-CD2 3.45Å; T367-L371 VanDerWaalsContact O-CB 3.24Å; T367-L371 WeakPolarHBondContact O-CB 3.49Å; T367-L371 PolarHBondContact O-N 3.24Å; L371-L373 VanDerWaalsContact C-N 3.33Å; L371-L373 PolarHBondContact O-N 3.27Å; L371-I374 PolarHBondContact O-N 2.83Å; L371-Q375 HydrophobicContact CD1-CG 4.15Å; L371-Q375 HydrophobicContact CG-CG 4.44Å; L371-Q375 VanDerWaalsContact O-CG 3.27Å; L371-Q375 WeakPolarHBondContact O-CG 3.41Å; L371-Q375 PolarHBondContact O-N 2.95Å; L371-M398 HydrophobicContact CB-CE 4.27Å; L371-M398 HydrophobicContact CB-SD 4.17Å; L371-L402 HydrophobicContact CD2-CD1 4.41Å; L371-I404 HydrophobicContact CD1-CD1 3.32Å; L371-I404 HydrophobicContact CD1-CG1 4.42Å
372K98.3Very high97.7Very high48 Ų4827 Ų2721%0.20912%0.123CC..Hα-helixtrans-58.3-47.1178.2-74.8172.461.874.80111.4M336 Y337 F341 T368 V369 V370 Q375 I376M336-K372 HydrophobicContact CE-CB 4.1Å; M336-K372 WeakPolarHBondContact O-CE 3.39Å; M336-K372 PolarHBondContact O-NZ 2.96Å; Y337-K372 HydrophobicContact CE1-CD 4.28Å; F341-K372 HydrophobicContact CE2-CD 4.3Å; F341-K372 HydrophobicContact CZ-CD 4.18Å; T368-K372 HydrophobicContact CG2-CD 4.34Å; T368-K372 WeakPolarHBondContact O-CG 3.5Å; T368-K372 PolarHBondContact O-N 3.33Å; T368-K372 VanDerWaalsContact O-N 3.14Å; V369-K372 PolarHBondContact O-N 3.45Å; V370-K372 PolarHBondContact O-N 3.35Å; K372-Q375 PolarHBondContact O-N 2.81Å; K372-I376 HydrophobicContact CB-CD1 4.45Å; K372-I376 WeakPolarHBondContact O-CB 3.33Å; K372-I376 VanDerWaalsContact O-CD1 3.3Å; K372-I376 WeakPolarHBondContact O-CD1 3.18Å; K372-I376 WeakPolarHBondContact O-CG1 3.32Å; K372-I376 PolarHBondContact O-N 3.36Å
373L98.6Very high98Very high5 Ų526.4 Ų26.43%0.02612%0.12CC..Hα-helixtrans-61.2-45.8179.6-71.9167.4000111.2F264 P266 F329 M336 V369 V370 L371 Q375 I376 T377F264-L373 HydrophobicContact CE1-CB 3.61Å; F264-L373 HydrophobicContact CE1-CD1 4.28Å; F264-L373 HydrophobicContact CE1-CG 4.43Å; F264-L373 HydrophobicContact CZ-CB 3.73Å; F264-L373 HydrophobicContact CZ-CD1 4.01Å; F264-L373 HydrophobicContact CZ-CD2 4.08Å; F264-L373 HydrophobicContact CZ-CG 4.15Å; P266-L373 HydrophobicContact CB-CD1 4.31Å; F329-L373 HydrophobicContact CD1-CD2 3.86Å; F329-L373 HydrophobicContact CE1-CD2 3.93Å; M336-L373 HydrophobicContact CE-CD2 3.85Å; M336-L373 HydrophobicContact CE-CG 4.05Å; V369-L373 HydrophobicContact CG2-CD1 4.04Å; V369-L373 HydrophobicContact CG2-CG 4.37Å; V369-L373 WeakPolarHBondContact O-CB 3.3Å; V369-L373 VanDerWaalsContact O-CG 3.26Å; V369-L373 WeakPolarHBondContact O-CG 3.47Å; V369-L373 PolarHBondContact O-N 2.97Å; V370-L373 PolarHBondContact O-N 3.12Å; L371-L373 VanDerWaalsContact C-N 3.33Å; L371-L373 PolarHBondContact O-N 3.27Å; L373-Q375 VanDerWaalsContact C-N 3.29Å; L373-Q375 PolarHBondContact O-N 3.43Å; L373-I376 PolarHBondContact O-N 2.88Å; L373-I376 VanDerWaalsContact O-N 3.13Å; L373-T377 PolarHBondContact O-N 3.22Å; L373-T377 PolarHBondContact O-OG1 3.34Å
374I98.7Very high98.1Very high5 Ų526.3 Ų26.33%0.02612%0.12CC..Hα-helixtrans-57.8-42.5174.7-70.2166000111.1V370 L371 I376 Q378 P379 V382 T399 I404 V406V370-I374 HydrophobicContact CG1-CD1 3.74Å; V370-I374 HydrophobicContact CG1-CG1 4.38Å; V370-I374 VanDerWaalsContact O-CG1 3.31Å; V370-I374 WeakPolarHBondContact O-CG1 3.29Å; V370-I374 PolarHBondContact O-N 3.47Å; L371-I374 PolarHBondContact O-N 2.83Å; I374-I376 VanDerWaalsContact C-N 3.33Å; I374-I376 PolarHBondContact O-N 2.74Å; I374-Q378 WeakPolarHBondContact O-CA 3.43Å; I374-Q378 PolarHBondContact O-N 3.13Å; I374-P379 WeakPolarHBondContact O-CD 3.21Å; I374-V382 HydrophobicContact CD1-CG2 4.28Å; I374-V382 HydrophobicContact CG1-CG2 3.98Å; I374-T399 HydrophobicContact CD1-CG2 4.2Å; I374-I404 HydrophobicContact CG2-CG2 3.76Å; I374-V406 HydrophobicContact CD1-CG1 4.28Å; I374-V406 HydrophobicContact CG2-CG1 4.46Å
375Q98.3Very high98.1Very high112 Ų11222.5 Ų22.552%0.52311%0.111SC..Hα-helixtrans-69.7-29178.7-67.3-69.475.600113.4L371 K372 L373L371-Q375 HydrophobicContact CD1-CG 4.15Å; L371-Q375 HydrophobicContact CG-CG 4.44Å; L371-Q375 VanDerWaalsContact O-CG 3.27Å; L371-Q375 WeakPolarHBondContact O-CG 3.41Å; L371-Q375 PolarHBondContact O-N 2.95Å; K372-Q375 PolarHBondContact O-N 2.81Å; L373-Q375 VanDerWaalsContact C-N 3.29Å; L373-Q375 PolarHBondContact O-N 3.43Å
376I98.6Very high98.1Very high5 Ų524.8 Ų24.83%0.02612%0.121CC..Hα-helixtrans-78.4-47.2178.3-69.2158.8000110.4I245 V248 F329 M336 K372 L373 I374I245-I376 HydrophobicContact CD1-CD1 3.86Å; I245-I376 HydrophobicContact CD1-CG1 4.33Å; I245-I376 HydrophobicContact CG1-CD1 3.8Å; I245-I376 HydrophobicContact CG1-CG1 4.11Å; I245-I376 HydrophobicContact CG1-CG2 4.39Å; I245-I376 HydrophobicContact CG2-CG1 4.02Å; I245-I376 HydrophobicContact CG2-CG2 4.18Å; V248-I376 HydrophobicContact CB-CG2 3.96Å; V248-I376 HydrophobicContact CG1-CG2 3.77Å; V248-I376 HydrophobicContact CG2-CG2 4.44Å; F329-I376 HydrophobicContact CE1-CD1 4.15Å; F329-I376 HydrophobicContact CE1-CG2 4.11Å; F329-I376 HydrophobicContact CZ-CG2 4.48Å; M336-I376 HydrophobicContact CE-CD1 4.04Å; M336-I376 HydrophobicContact SD-CD1 3.93Å; K372-I376 HydrophobicContact CB-CD1 4.45Å; K372-I376 WeakPolarHBondContact O-CB 3.33Å; K372-I376 VanDerWaalsContact O-CD1 3.3Å; K372-I376 WeakPolarHBondContact O-CD1 3.18Å; K372-I376 WeakPolarHBondContact O-CG1 3.32Å; K372-I376 PolarHBondContact O-N 3.36Å; L373-I376 PolarHBondContact O-N 2.88Å; L373-I376 VanDerWaalsContact O-N 3.13Å; I374-I376 VanDerWaalsContact C-N 3.33Å; I374-I376 PolarHBondContact O-N 2.74Å
377T98.5Very high98Very high0 Ų026.1 Ų26.10%013%0.127CC..Hα-helixtrans-88.7-20.4-173.160.90000113.1V248 V252 F264 I290 L373 P379V248-T377 HydrophobicContact CG1-CG2 4.09Å; V252-T377 WeakPolarHBondContact CG1-O 3.45Å; V252-T377 VanDerWaalsContact CG2-O 3.24Å; V252-T377 WeakPolarHBondContact CG2-O 3.48Å; F264-T377 HydrophobicContact CD2-CG2 3.97Å; F264-T377 HydrophobicContact CE2-CG2 3.89Å; F264-T377 HydrophobicContact CG-CG2 4.49Å; F264-T377 HydrophobicContact CZ-CG2 4.34Å; I290-T377 HydrophobicContact CD1-CG2 4.07Å; I290-T377 HydrophobicContact CG2-CG2 3.99Å; L373-T377 PolarHBondContact O-N 3.22Å; L373-T377 PolarHBondContact O-OG1 3.34Å; T377-P379 WeakPolarHBondContact OG1-CD 3.29Å
378Q98.2Very high97.8Very high87 Ų8729.1 Ų29.141%0.40714%0.143SC..  trans39.961.4-175.8-57179.8-0.700111.5V252 R256 I374V252-Q378 HydrophobicContact CG1-CB 4.04Å; R256-Q378 PolarHBondContact NE-O 3.09Å; R256-Q378 PolarHBondContact NH2-O 2.78Å; I374-Q378 WeakPolarHBondContact O-CA 3.43Å; I374-Q378 PolarHBondContact O-N 3.13Å
379P98.6Very high97.6Very high4 Ų429.2 Ų29.23%0.02614%0.144CC..  trans-78.8158.8-178.633.1-28.2000110.6I262 F264 I374 T377 V382 V406I262-P379 HydrophobicContact CG2-CB 4.33Å; I262-P379 CarbonylContact O-C 3.49Å; I262-P379 WeakPolarHBondContact O-CA 3.43Å; I262-P379 WeakPolarHBondContact O-CB 3.36Å; F264-P379 HydrophobicContact CB-CB 3.59Å; F264-P379 HydrophobicContact CB-CG 3.78Å; F264-P379 HydrophobicContact CD1-CG 4.49Å; F264-P379 HydrophobicContact CG-CG 4.48Å; I374-P379 WeakPolarHBondContact O-CD 3.21Å; T377-P379 WeakPolarHBondContact OG1-CD 3.29Å; P379-V382 HydrophobicContact CB-CG2 4.47Å; P379-V382 HydrophobicContact CG-CG2 3.63Å; P379-V406 HydrophobicContact CG-CG2 4.06Å
380D98.7Very high97.5Very high51 Ų5129.2 Ų29.227%0.27314%0.144SC..SBendtrans-81.7-31.1166.2-53.1-67.3000110.1R256 S261 I262 D407R256-D380 IonicContact NH1-OD1 2.74Å; R256-D380 IonicContact NH2-OD1 2.89Å; R256-D380 PolarHBondContact NH2-OD1 3.15Å; S261-D380 WeakPolarHBondContact CA-OD2 3.27Å; I262-D380 PolarHBondContact N-OD2 2.76Å; I262-D380 PolarHBondContact O-N 3.14Å; D380-D407 PolarHBondContact O-N 3.32Å
381R98.8Very high97.4Very high73 Ų7330.9 Ų30.928%0.27515%0.151SC..EExtended strand (participates in β ladder)trans-138.5139.4-179.2-50.9-169.1177.990.6-3.1112.6I262 G263 F264 D285 N286 Y383 D407 I409I262-R381 PolarHBondContact O-N 3.46Å; G263-R381 CarbonylContact C-O 3.59Å; G263-R381 WeakPolarHBondContact CA-O 3.08Å; F264-R381 PolarHBondContact N-O 2.86Å; D285-R381 PolarHBondContact O-NH1 3.27Å; N286-R381 PolarHBondContact OD1-NH1 2.84Å; R381-Y383 HydrophobicContact CB-CE2 3.61Å; R381-Y383 WeakPolarHBondContact CD-OH 3.46Å; R381-D407 CarbonylContact C-O 3.5Å; R381-D407 WeakPolarHBondContact CA-O 3.28Å; R381-D407 HydrophobicContact CG-CB 4.1Å; R381-D407 IonicContact NE-OD2 3.27Å; R381-I409 HydrophobicContact CB-CG1 4.18Å
382V98.8Very high97.2Very high0 Ų029.2 Ų29.20%014%0.143CC..EExtended strand (participates in β ladder)trans-118.1132173.4-169.10000110.3F264 P266 I374 P379 F384 V406 D407 I408 I409F264-V382 HydrophobicContact CB-CG2 4.49Å; F264-V382 HydrophobicContact CD1-CG1 3.95Å; F264-V382 HydrophobicContact CD1-CG2 4.29Å; F264-V382 WeakPolarHBondContact O-CA 2.87Å; P266-V382 HydrophobicContact CG-CG1 3.93Å; I374-V382 HydrophobicContact CD1-CG2 4.28Å; I374-V382 HydrophobicContact CG1-CG2 3.98Å; P379-V382 HydrophobicContact CB-CG2 4.47Å; P379-V382 HydrophobicContact CG-CG2 3.63Å; V382-F384 HydrophobicContact CB-CE2 4.05Å; V382-F384 HydrophobicContact CG1-CD2 4.03Å; V382-F384 HydrophobicContact CG1-CE2 3.32Å; V382-F384 HydrophobicContact CG1-CZ 3.79Å; V382-V406 HydrophobicContact CG2-CG2 3.64Å; V382-D407 PolarHBondContact N-O 3.49Å; V382-I408 HydrophobicContact CB-CD1 3.86Å; V382-I408 HydrophobicContact CG2-CD1 4.2Å; V382-I409 PolarHBondContact O-N 2.91Å
383Y98.8Very high97Very high0 Ų027.7 Ų27.70%014%0.139CC..EExtended strand (participates in β ladder)trans-109128.7-173-63.2-98.5000111.3F264 K281 A282 D285 N286 R381 I409F264-Y383 PolarHBondContact O-N 2.92Å; K281-Y383 HydrophobicContact CB-CD1 4.44Å; K281-Y383 HydrophobicContact CB-CE1 4.44Å; K281-Y383 HydrophobicContact CG-CD1 4.11Å; K281-Y383 HydrophobicContact CG-CE1 3.82Å; A282-Y383 HydrophobicContact CB-CD1 4.43Å; A282-Y383 HydrophobicContact CB-CD2 3.51Å; A282-Y383 HydrophobicContact CB-CE1 4.41Å; A282-Y383 HydrophobicContact CB-CE2 3.49Å; A282-Y383 VanDerWaalsContact CB-CE2 3.49Å; A282-Y383 HydrophobicContact CB-CG 4.02Å; D285-Y383 WeakPolarHBondContact CB-OH 3.22Å; D285-Y383 WeakPolarHBondContact OD2-CE1 3.47Å; D285-Y383 PolarHBondContact OD2-OH 3.41Å; N286-Y383 PolarHBondContact ND2-OH 2.87Å; R381-Y383 HydrophobicContact CB-CE2 3.61Å; R381-Y383 WeakPolarHBondContact CD-OH 3.46Å; Y383-I409 WeakPolarHBondContact CA-O 3.49Å; Y383-I409 HydrophobicContact CD1-CB 3.63Å; Y383-I409 HydrophobicContact CD1-CG1 4.18Å; Y383-I409 HydrophobicContact CD1-CG2 3.74Å; Y383-I409 HydrophobicContact CE1-CB 3.69Å; Y383-I409 HydrophobicContact CE1-CG1 3.79Å; Y383-I409 HydrophobicContact CE1-CG2 3.66Å; Y383-I409 HydrophobicContact CG-CB 4.27Å
384F98.1Very high96.9Very high7 Ų727.4 Ų27.43%0.03114%0.137CC..EExtended strand (participates in β ladder)trans-130.1148.9177-68.4-86.5000111P266 V370 V382 V392 V395 I408 I409 C411P266-F384 HydrophobicContact CB-CE1 4.43Å; P266-F384 HydrophobicContact CG-CD1 4.02Å; P266-F384 HydrophobicContact CG-CE1 3.31Å; P266-F384 HydrophobicContact CG-CE2 4.27Å; P266-F384 HydrophobicContact CG-CZ 3.46Å; P266-F384 VanDerWaalsContact CG-CZ 3.46Å; V370-F384 HydrophobicContact CG1-CZ 4.03Å; V370-F384 HydrophobicContact CG2-CE1 4.47Å; V370-F384 HydrophobicContact CG2-CZ 4.26Å; V382-F384 HydrophobicContact CB-CE2 4.05Å; V382-F384 HydrophobicContact CG1-CD2 4.03Å; V382-F384 HydrophobicContact CG1-CE2 3.32Å; V382-F384 HydrophobicContact CG1-CZ 3.79Å; F384-V392 HydrophobicContact CB-CG2 3.74Å; F384-V395 HydrophobicContact CE2-CB 4.4Å; F384-V395 HydrophobicContact CE2-CG1 3.79Å; F384-V395 HydrophobicContact CE2-CG2 4.47Å; F384-V395 HydrophobicContact CZ-CB 4.47Å; F384-V395 HydrophobicContact CZ-CG1 4.04Å; F384-V395 HydrophobicContact CZ-CG2 4.06Å; F384-I408 HydrophobicContact CD2-CG2 3.92Å; F384-I408 HydrophobicContact CE2-CD1 4.4Å; F384-I408 HydrophobicContact CE2-CG2 4.25Å; F384-I409 PolarHBondContact N-O 2.88Å; F384-C411 PolarHBondContact O-N 3.13Å
385G96.1Very high96.8Very high19 Ų1927.2 Ų27.220%0.19614%0.136CC..EExtended strand (participates in β ladder)trans-80.1136.9172.700000111.8K387 D388G385-K387 PolarHBondContact O-N 3.24Å; G385-K387 VanDerWaalsContact O-N 3.09Å; G385-D388 PolarHBondContact O-N 2.82Å
386Q95.8Very high96.7Very high49 Ų4925.8 Ų25.823%0.22913%0.13CC..G310 helixtrans-62.1-13.5173.6-81.7-178.5-18.700113.8D388 A389 A410 C411 I413 N514 Y516Q386-D388 PolarHBondContact O-N 3.18Å; Q386-A389 WeakPolarHBondContact O-CA 3.19Å; Q386-A389 WeakPolarHBondContact O-CB 3.45Å; Q386-A389 PolarHBondContact O-N 2.69Å; Q386-A410 HydrophobicContact CG-CB 4.05Å; Q386-C411 VanDerWaalsContact CB-O 3.31Å; Q386-C411 WeakPolarHBondContact CB-O 3.31Å; Q386-C411 VanDerWaalsContact CG-O 3.31Å; Q386-C411 WeakPolarHBondContact CG-O 3.31Å; Q386-C411 PolarHBondContact N-O 3.06Å; Q386-I413 HydrophobicContact CB-CG1 3.87Å; Q386-N514 PolarHBondContact O-ND2 2.74Å; Q386-N514 PolarHBondContact O-OD1 2.96Å; Q386-Y516 HydrophobicContact CB-CE2 3.98Å; Q386-Y516 HydrophobicContact CG-CE2 3.75Å
387K94.8Very high96.5Very high29 Ų2927.1 Ų27.113%0.12614%0.136CC..G310 helixtrans-57.8-34.5174.1-178.1179.6167.1-720111.1G385 I413 A421 K422 N514G385-K387 PolarHBondContact O-N 3.24Å; G385-K387 VanDerWaalsContact O-N 3.09Å; K387-I413 HydrophobicContact CB-CG1 4.26Å; K387-I413 HydrophobicContact CB-CG2 4.31Å; K387-A421 HydrophobicContact CD-CB 4.08Å; K387-A421 HydrophobicContact CG-CB 4.48Å; K387-K422 VanDerWaalsContact CD-O 3.31Å; K387-K422 WeakPolarHBondContact CD-O 3.42Å; K387-K422 WeakPolarHBondContact CE-O 3.49Å; K387-N514 PolarHBondContact O-ND2 2.89Å
388D93.9Very high96.5Very high63 Ų6327.4 Ų27.434%0.33714%0.137SC..G310 helixtrans-101.549.1175.7-57.7-90.2000109.7G385 Q386 Q390 Q391 V392 I512G385-D388 PolarHBondContact O-N 2.82Å; Q386-D388 PolarHBondContact O-N 3.18Å; D388-Q390 VanDerWaalsContact C-N 3.27Å; D388-Q390 PolarHBondContact O-N 3.06Å; D388-Q390 VanDerWaalsContact O-N 3.13Å; D388-Q391 HydrophobicContact CB-CB 4.05Å; D388-Q391 WeakPolarHBondContact O-CA 3.41Å; D388-Q391 VanDerWaalsContact O-CB 3.29Å; D388-Q391 WeakPolarHBondContact O-CB 3.32Å; D388-Q391 PolarHBondContact O-N 3.21Å; D388-V392 PolarHBondContact O-N 3.36Å; D388-V392 VanDerWaalsContact O-N 3.12Å; D388-I512 WeakPolarHBondContact OD1-CD1 3.36Å
389A94.2Very high96.4Very high5 Ų523.8 Ų23.84%0.04112%0.121CC..Hα-helixtrans-50-40.8-172.500000114.3Q386 V392 A393 L499 Y516Q386-A389 WeakPolarHBondContact O-CA 3.19Å; Q386-A389 WeakPolarHBondContact O-CB 3.45Å; Q386-A389 PolarHBondContact O-N 2.69Å; A389-V392 WeakPolarHBondContact O-CB 3.28Å; A389-V392 PolarHBondContact O-N 2.96Å; A389-A393 PolarHBondContact O-N 3.09Å; A389-L499 HydrophobicContact CB-CD1 3.82Å; A389-L499 HydrophobicContact CB-CD2 3.66Å; A389-L499 HydrophobicContact CB-CG 4.41Å; A389-Y516 HydrophobicContact CB-CE2 4.46Å; A389-Y516 VanDerWaalsContact CB-OH 3.24Å; A389-Y516 WeakPolarHBondContact CB-OH 3.42Å
390Q95.1Very high96.3Very high9 Ų930.5 Ų30.54%0.04215%0.146CC..Hα-helixtrans-65.6-39.3176.5-176.4176.419.700111.9V350 V353 F363 D388 V392 A393 V394 L488V350-Q390 PolarHBondContact O-NE2 2.85Å; V353-Q390 PolarHBondContact O-NE2 3.24Å; F363-Q390 HydrophobicContact CE1-CG 4.33Å; F363-Q390 HydrophobicContact CE2-CG 3.82Å; F363-Q390 HydrophobicContact CZ-CB 4.07Å; F363-Q390 HydrophobicContact CZ-CG 3.45Å; F363-Q390 VanDerWaalsContact CZ-CG 3.45Å; D388-Q390 VanDerWaalsContact C-N 3.27Å; D388-Q390 PolarHBondContact O-N 3.06Å; D388-Q390 VanDerWaalsContact O-N 3.13Å; Q390-V392 VanDerWaalsContact C-N 3.29Å; Q390-V392 PolarHBondContact O-N 2.74Å; Q390-A393 PolarHBondContact O-N 3.45Å; Q390-V394 HydrophobicContact CG-CG2 4.23Å; Q390-V394 WeakPolarHBondContact O-CB 3.49Å; Q390-V394 WeakPolarHBondContact O-CG2 3.42Å; Q390-V394 PolarHBondContact O-N 3.45Å; Q390-L488 HydrophobicContact CB-CD1 4.19Å; Q390-L488 HydrophobicContact CG-CD1 3.69Å
391Q95.3Very high96.3Very high40 Ų4032 Ų3219%0.18715%0.154CC..Hα-helixtrans-61-41.8174.2175.8172.7-65.800110.9F363 V366 D388 A393 V394 V395F363-Q391 HydrophobicContact CE1-CB 4.22Å; V366-Q391 HydrophobicContact CG1-CG 3.87Å; D388-Q391 HydrophobicContact CB-CB 4.05Å; D388-Q391 WeakPolarHBondContact O-CA 3.41Å; D388-Q391 VanDerWaalsContact O-CB 3.29Å; D388-Q391 WeakPolarHBondContact O-CB 3.32Å; D388-Q391 PolarHBondContact O-N 3.21Å; Q391-A393 VanDerWaalsContact C-N 3.34Å; Q391-A393 PolarHBondContact O-N 3.34Å; Q391-V394 PolarHBondContact O-N 3.27Å; Q391-V395 HydrophobicContact CG-CG2 4.26Å; Q391-V395 WeakPolarHBondContact O-CB 3.43Å; Q391-V395 VanDerWaalsContact O-CG2 3.28Å; Q391-V395 WeakPolarHBondContact O-CG2 3.46Å; Q391-V395 PolarHBondContact O-N 3.3Å
392V95.7Very high96.2Very high3 Ų332.9 Ų32.92%0.01816%0.164CC..Hα-helixtrans-57.5-49.2175.2-178.90000110.5F384 D388 A389 Q390 V394 V395 Q396 I408 A410F384-V392 HydrophobicContact CB-CG2 3.74Å; D388-V392 PolarHBondContact O-N 3.36Å; D388-V392 VanDerWaalsContact O-N 3.12Å; A389-V392 WeakPolarHBondContact O-CB 3.28Å; A389-V392 PolarHBondContact O-N 2.96Å; Q390-V392 VanDerWaalsContact C-N 3.29Å; Q390-V392 PolarHBondContact O-N 2.74Å; V392-V394 PolarHBondContact O-N 2.96Å; V392-V395 PolarHBondContact O-N 2.89Å; V392-Q396 HydrophobicContact CG1-CG 4.4Å; V392-Q396 WeakPolarHBondContact O-CB 3.29Å; V392-Q396 VanDerWaalsContact O-CG 3.28Å; V392-Q396 WeakPolarHBondContact O-CG 3.49Å; V392-Q396 PolarHBondContact O-N 3.25Å; V392-I408 HydrophobicContact CG1-CG2 4.47Å; V392-A410 HydrophobicContact CG1-CB 3.85Å
393A94.5Very high96.2Very high15 Ų1539.6 Ų39.612%0.12420%0.2CC..Hα-helixtrans-62.3-42.9178.800000112.6A389 Q390 Q391 Q396 Q397 L488A389-A393 PolarHBondContact O-N 3.09Å; Q390-A393 PolarHBondContact O-N 3.45Å; Q391-A393 VanDerWaalsContact C-N 3.34Å; Q391-A393 PolarHBondContact O-N 3.34Å; A393-Q396 PolarHBondContact O-N 3.43Å; A393-Q397 WeakPolarHBondContact O-CB 3.26Å; A393-Q397 PolarHBondContact O-N 2.85Å; A393-L488 HydrophobicContact CB-CD1 4.04Å
394V95.5Very high96.2Very high0 Ų040.6 Ų40.60%021%0.205CC..Hα-helixtrans-61.5-44.6176.4170.60000111.1V350 T351 F363 T367 Q390 Q391 V392 Q397 M398V350-V394 HydrophobicContact CB-CG2 4.38Å; V350-V394 HydrophobicContact CG2-CB 4.49Å; V350-V394 HydrophobicContact CG2-CG2 3.8Å; T351-V394 HydrophobicContact CG2-CG1 3.97Å; T351-V394 HydrophobicContact CG2-CG2 3.72Å; F363-V394 HydrophobicContact CB-CG1 4.45Å; F363-V394 HydrophobicContact CD1-CB 4.24Å; F363-V394 HydrophobicContact CD1-CG1 4.05Å; F363-V394 HydrophobicContact CD1-CG2 3.93Å; F363-V394 HydrophobicContact CD2-CG2 4.44Å; F363-V394 HydrophobicContact CE1-CB 4.48Å; F363-V394 HydrophobicContact CE1-CG2 4.02Å; F363-V394 HydrophobicContact CE2-CG2 4.49Å; F363-V394 HydrophobicContact CG-CG1 4.39Å; F363-V394 HydrophobicContact CG-CG2 4.17Å; F363-V394 HydrophobicContact CZ-CG2 4.31Å; T367-V394 HydrophobicContact CG2-CG1 3.61Å; Q390-V394 HydrophobicContact CG-CG2 4.23Å; Q390-V394 WeakPolarHBondContact O-CB 3.49Å; Q390-V394 WeakPolarHBondContact O-CG2 3.42Å; Q390-V394 PolarHBondContact O-N 3.45Å; Q391-V394 PolarHBondContact O-N 3.27Å; V392-V394 PolarHBondContact O-N 2.96Å; V394-Q397 PolarHBondContact O-N 3.14Å; V394-M398 WeakPolarHBondContact O-CB 3.45Å; V394-M398 PolarHBondContact O-N 3.23Å
395V96.6Very high96.1Very high0 Ų046.2 Ų46.20%024%0.242CC..Hα-helixtrans-68.6-41.4179173.50000111.1V370 F384 Q391 V392 Q397 M398 T399 I408V370-V395 HydrophobicContact CG1-CG1 3.98Å; V370-V395 HydrophobicContact CG1-CG2 4.12Å; V370-V395 HydrophobicContact CG2-CG2 4.39Å; F384-V395 HydrophobicContact CE2-CB 4.4Å; F384-V395 HydrophobicContact CE2-CG1 3.79Å; F384-V395 HydrophobicContact CE2-CG2 4.47Å; F384-V395 HydrophobicContact CZ-CB 4.47Å; F384-V395 HydrophobicContact CZ-CG1 4.04Å; F384-V395 HydrophobicContact CZ-CG2 4.06Å; Q391-V395 HydrophobicContact CG-CG2 4.26Å; Q391-V395 WeakPolarHBondContact O-CB 3.43Å; Q391-V395 VanDerWaalsContact O-CG2 3.28Å; Q391-V395 WeakPolarHBondContact O-CG2 3.46Å; Q391-V395 PolarHBondContact O-N 3.3Å; V392-V395 PolarHBondContact O-N 2.89Å; V395-Q397 VanDerWaalsContact C-N 3.33Å; V395-Q397 PolarHBondContact O-N 2.92Å; V395-M398 HydrophobicContact CG1-CE 4.45Å; V395-M398 PolarHBondContact O-N 3.36Å; V395-T399 HydrophobicContact CG1-CG2 4.36Å; V395-T399 WeakPolarHBondContact O-CG2 3.4Å; V395-T399 PolarHBondContact O-N 3.1Å; V395-T399 PolarHBondContact O-OG1 2.87Å; V395-I408 HydrophobicContact CG1-CD1 3.81Å; V395-I408 HydrophobicContact CG1-CG1 4.15Å; V395-I408 HydrophobicContact CG1-CG2 4.45Å
396Q95.9Very high96.2Very high83 Ų8346.1 Ų46.139%0.38824%0.238SC..Hα-helixtrans-60.7-41.3174.5-76.4174.3-24.200112.3V392 A393 T399 R400 I408V392-Q396 HydrophobicContact CG1-CG 4.4Å; V392-Q396 WeakPolarHBondContact O-CB 3.29Å; V392-Q396 VanDerWaalsContact O-CG 3.28Å; V392-Q396 WeakPolarHBondContact O-CG 3.49Å; V392-Q396 PolarHBondContact O-N 3.25Å; A393-Q396 PolarHBondContact O-N 3.43Å; Q396-T399 PolarHBondContact O-OG1 3.07Å; Q396-R400 VanDerWaalsContact O-CB 3.3Å; Q396-R400 WeakPolarHBondContact O-CB 3.47Å; Q396-R400 PolarHBondContact O-N 2.7Å; Q396-R400 VanDerWaalsContact O-N 3.12Å; Q396-I408 HydrophobicContact CG-CB 3.83Å; Q396-I408 HydrophobicContact CG-CG1 4.32Å; Q396-I408 HydrophobicContact CG-CG2 3.75Å
397Q95.3Very high96.4Very high33 Ų3348.1 Ų48.115%0.15425%0.25CC..Hα-helixtrans-62.6-50.2173.4170.1158.5-57.800111S347 F348 V350 A393 V394 V395 T399 R400 D401S347-Q397 PolarHBondContact OG-NE2 2.69Å; F348-Q397 PolarHBondContact O-NE2 3.48Å; V350-Q397 HydrophobicContact CG2-CB 4.42Å; A393-Q397 WeakPolarHBondContact O-CB 3.26Å; A393-Q397 PolarHBondContact O-N 2.85Å; V394-Q397 PolarHBondContact O-N 3.14Å; V395-Q397 VanDerWaalsContact C-N 3.33Å; V395-Q397 PolarHBondContact O-N 2.92Å; Q397-T399 PolarHBondContact O-N 2.73Å; Q397-R400 PolarHBondContact O-N 2.72Å; Q397-D401 VanDerWaalsContact CG-OD2 3.25Å; Q397-D401 WeakPolarHBondContact CG-OD2 3.38Å; Q397-D401 WeakPolarHBondContact O-CB 3.44Å; Q397-D401 PolarHBondContact O-N 2.8Å
398M97.1Very high96.5Very high5 Ų547.8 Ų47.83%0.02525%0.249CC..Hα-helixtrans-57.2-46.7179.3-178.9-168.571.800112.3V345 T367 V370 L371 V394 V395 L402V345-M398 HydrophobicContact CG1-CG 4.27Å; V345-M398 HydrophobicContact CG1-SD 4.17Å; T367-M398 HydrophobicContact CG2-SD 3.93Å; T367-M398 VanDerWaalsContact O-SD 3.34Å; V370-M398 HydrophobicContact CB-CE 4.4Å; V370-M398 HydrophobicContact CG1-CE 4.03Å; L371-M398 HydrophobicContact CB-CE 4.27Å; L371-M398 HydrophobicContact CB-SD 4.17Å; V394-M398 WeakPolarHBondContact O-CB 3.45Å; V394-M398 PolarHBondContact O-N 3.23Å; V395-M398 HydrophobicContact CG1-CE 4.45Å; V395-M398 PolarHBondContact O-N 3.36Å; M398-L402 HydrophobicContact CG-CD1 3.85Å; M398-L402 VanDerWaalsContact O-CB 3.28Å; M398-L402 WeakPolarHBondContact O-CB 3.45Å; M398-L402 WeakPolarHBondContact O-CG 3.32Å; M398-L402 PolarHBondContact O-N 3.32Å
399T97.6Very high96.7Very high12 Ų1247 Ų477%0.07424%0.244CC..Hα-helixtrans-68.5-39.2-178.354.70000112.6I374 V395 Q396 Q397 N403 I404 V406 I408I374-T399 HydrophobicContact CD1-CG2 4.2Å; V395-T399 HydrophobicContact CG1-CG2 4.36Å; V395-T399 WeakPolarHBondContact O-CG2 3.4Å; V395-T399 PolarHBondContact O-N 3.1Å; V395-T399 PolarHBondContact O-OG1 2.87Å; Q396-T399 PolarHBondContact O-OG1 3.07Å; Q397-T399 PolarHBondContact O-N 2.73Å; T399-N403 PolarHBondContact O-N 3.29Å; T399-N403 VanDerWaalsContact O-N 3.16Å; T399-I404 HydrophobicContact CG2-CB 4.14Å; T399-I404 HydrophobicContact CG2-CD1 4.17Å; T399-I404 HydrophobicContact CG2-CG2 4.38Å; T399-I404 PolarHBondContact O-N 2.95Å; T399-V406 HydrophobicContact CG2-CG1 3.77Å; T399-I408 HydrophobicContact CG2-CD1 4Å; T399-I408 HydrophobicContact CG2-CG1 4.17Å
400R96.4Very high96.9Very high144 Ų14448.6 Ų48.654%0.54326%0.257SS..Hα-helixtrans-62.8-53.5173.9179.9-167.463.3-125.1-0.1111.4Q396 Q397 L402 N403Q396-R400 VanDerWaalsContact O-CB 3.3Å; Q396-R400 WeakPolarHBondContact O-CB 3.47Å; Q396-R400 PolarHBondContact O-N 2.7Å; Q396-R400 VanDerWaalsContact O-N 3.12Å; Q397-R400 PolarHBondContact O-N 2.72Å; R400-L402 VanDerWaalsContact C-N 3.28Å; R400-L402 PolarHBondContact O-N 2.97Å; R400-N403 PolarHBondContact O-N 3.3Å; R400-N403 VanDerWaalsContact O-N 3.13Å
401D97.4Very high97Very high83 Ų8348.5 Ų48.544%0.44426%0.258SS..Hα-helixtrans-68.3-30.2-172.1-64-3.4000111.9Q397Q397-D401 VanDerWaalsContact CG-OD2 3.25Å; Q397-D401 WeakPolarHBondContact CG-OD2 3.38Å; Q397-D401 WeakPolarHBondContact O-CB 3.44Å; Q397-D401 PolarHBondContact O-N 2.8Å
402L97.8Very high97Very high91 Ų9150.9 Ų50.948%0.47628%0.277SS..THydrogen-bonded Turntrans-94.69176.6-59.4-179.3000113.7V345 L371 M398 R400 I404V345-L402 HydrophobicContact CG1-CD1 4.13Å; L371-L402 HydrophobicContact CD2-CD1 4.41Å; M398-L402 HydrophobicContact CG-CD1 3.85Å; M398-L402 VanDerWaalsContact O-CB 3.28Å; M398-L402 WeakPolarHBondContact O-CB 3.45Å; M398-L402 WeakPolarHBondContact O-CG 3.32Å; M398-L402 PolarHBondContact O-N 3.32Å; R400-L402 VanDerWaalsContact C-N 3.28Å; R400-L402 PolarHBondContact O-N 2.97Å; L402-I404 HydrophobicContact CB-CD1 3.99Å; L402-I404 HydrophobicContact CB-CG1 3.86Å; L402-I404 HydrophobicContact CD1-CD1 4.42Å; L402-I404 PolarHBondContact O-N 3.36Å
403N98.1Very high97.1Very high142 Ų14252.3 Ų52.376%0.75928%0.284SS*.THydrogen-bonded Turntrans52.839.7179-54.5-71.9000113.6T399 R400 P405T399-N403 PolarHBondContact O-N 3.29Å; T399-N403 VanDerWaalsContact O-N 3.16Å; R400-N403 PolarHBondContact O-N 3.3Å; R400-N403 VanDerWaalsContact O-N 3.13Å; N403-P405 WeakPolarHBondContact O-CD 3.45Å
404I98.2Very high97.2Very high21 Ų2154.4 Ų54.411%0.10829%0.292CS..  trans-80.7118.5-178.9-55.1178.1000107.9L371 I374 T399 L402 V406L371-I404 HydrophobicContact CD1-CD1 3.32Å; L371-I404 HydrophobicContact CD1-CG1 4.42Å; I374-I404 HydrophobicContact CG2-CG2 3.76Å; T399-I404 HydrophobicContact CG2-CB 4.14Å; T399-I404 HydrophobicContact CG2-CD1 4.17Å; T399-I404 HydrophobicContact CG2-CG2 4.38Å; T399-I404 PolarHBondContact O-N 2.95Å; L402-I404 HydrophobicContact CB-CD1 3.99Å; L402-I404 HydrophobicContact CB-CG1 3.86Å; L402-I404 HydrophobicContact CD1-CD1 4.42Å; L402-I404 PolarHBondContact O-N 3.36Å; I404-V406 VanDerWaalsContact C-N 3.26Å; I404-V406 HydrophobicContact CB-CG1 4.43Å; I404-V406 HydrophobicContact CG2-CB 4.39Å; I404-V406 HydrophobicContact CG2-CG1 3.72Å; I404-V406 PolarHBondContact O-N 3.27Å
405P97.6Very high97.2Very high125 Ų12558.4 Ų58.481%0.81231%0.308SS*.  trans-80.572-172.733.9-36.3000110.9N403N403-P405 WeakPolarHBondContact O-CD 3.45Å
406V98.3Very high97Very high17 Ų1761.2 Ų61.210%0.10332%0.321CS..  trans-145.8138-178.471.10000111.5I374 P379 V382 T399 I404 I408I374-V406 HydrophobicContact CD1-CG1 4.28Å; I374-V406 HydrophobicContact CG2-CG1 4.46Å; P379-V406 HydrophobicContact CG-CG2 4.06Å; V382-V406 HydrophobicContact CG2-CG2 3.64Å; T399-V406 HydrophobicContact CG2-CG1 3.77Å; I404-V406 VanDerWaalsContact C-N 3.26Å; I404-V406 HydrophobicContact CB-CG1 4.43Å; I404-V406 HydrophobicContact CG2-CB 4.39Å; I404-V406 HydrophobicContact CG2-CG1 3.72Å; I404-V406 PolarHBondContact O-N 3.27Å; V406-I408 HydrophobicContact CG1-CD1 4.05Å
407D98.4Very high96.8Very high91 Ų9163 Ų6349%0.48735%0.35SS..EExtended strand (participates in β ladder)trans-83.2127.5175.3-62-29.7000110.2D380 R381 V382 I409D380-D407 PolarHBondContact O-N 3.32Å; R381-D407 CarbonylContact C-O 3.5Å; R381-D407 WeakPolarHBondContact CA-O 3.28Å; R381-D407 HydrophobicContact CG-CB 4.1Å; R381-D407 IonicContact NE-OD2 3.27Å; V382-D407 PolarHBondContact N-O 3.49Å; D407-I409 HydrophobicContact CB-CD1 4Å
408I98.2Very high96.7Very high22 Ų2264.9 Ų64.911%0.11336%0.361CS..EExtended strand (participates in β ladder)trans-96.6111.6174-55.4-56000109.2V382 F384 V392 V395 Q396 T399 V406V382-I408 HydrophobicContact CB-CD1 3.86Å; V382-I408 HydrophobicContact CG2-CD1 4.2Å; F384-I408 HydrophobicContact CD2-CG2 3.92Å; F384-I408 HydrophobicContact CE2-CD1 4.4Å; F384-I408 HydrophobicContact CE2-CG2 4.25Å; V392-I408 HydrophobicContact CG1-CG2 4.47Å; V395-I408 HydrophobicContact CG1-CD1 3.81Å; V395-I408 HydrophobicContact CG1-CG1 4.15Å; V395-I408 HydrophobicContact CG1-CG2 4.45Å; Q396-I408 HydrophobicContact CG-CB 3.83Å; Q396-I408 HydrophobicContact CG-CG1 4.32Å; Q396-I408 HydrophobicContact CG-CG2 3.75Å; T399-I408 HydrophobicContact CG2-CD1 4Å; T399-I408 HydrophobicContact CG2-CG1 4.17Å; V406-I408 HydrophobicContact CG1-CD1 4.05Å
409I98.4Very high96.5Very high46 Ų4665.4 Ų65.424%0.23637%0.367CS..EExtended strand (participates in β ladder)trans-100.7115.4-176.8-48.2-56.9000109.7R381 V382 Y383 F384 D407R381-I409 HydrophobicContact CB-CG1 4.18Å; V382-I409 PolarHBondContact O-N 2.91Å; Y383-I409 WeakPolarHBondContact CA-O 3.49Å; Y383-I409 HydrophobicContact CD1-CB 3.63Å; Y383-I409 HydrophobicContact CD1-CG1 4.18Å; Y383-I409 HydrophobicContact CD1-CG2 3.74Å; Y383-I409 HydrophobicContact CE1-CB 3.69Å; Y383-I409 HydrophobicContact CE1-CG1 3.79Å; Y383-I409 HydrophobicContact CE1-CG2 3.66Å; Y383-I409 HydrophobicContact CG-CB 4.27Å; F384-I409 PolarHBondContact N-O 2.88Å; D407-I409 HydrophobicContact CB-CD1 4Å
410A96.7Very high96.4Very high38 Ų3865 Ų6531%0.31437%0.365SS..EExtended strand (participates in β ladder)trans-89.7119.7174.600000110.1Q386 V392Q386-A410 HydrophobicContact CG-CB 4.05Å; V392-A410 HydrophobicContact CG1-CB 3.85Å
411C97.6Very high96.3Very high7 Ų758.3 Ų58.35%0.04734%0.34CS..EExtended strand (participates in β ladder)trans-102.1147.1179.9-61.40000111.7L278 F384 Q386L278-C411 HydrophobicContact CD2-CB 3.28Å; F384-C411 PolarHBondContact O-N 3.13Å; Q386-C411 VanDerWaalsContact CB-O 3.31Å; Q386-C411 WeakPolarHBondContact CB-O 3.31Å; Q386-C411 VanDerWaalsContact CG-O 3.31Å; Q386-C411 WeakPolarHBondContact CG-O 3.31Å; Q386-C411 PolarHBondContact N-O 3.06Å
412P96.4Very high96.1Very high91 Ų9156.1 Ų56.159%0.59133%0.327SS*.PPolyproline II helixtrans-55.9152.8-179.5-26.535000114.6I414P412-I414 PolarHBondContact O-N 3.06Å
413I96.1Very high95.9Very high32 Ų3252.7 Ų52.716%0.16431%0.31CS..PPolyproline II helixtrans-66.9126174.3-53.9-179.1000109.4Q386 K387 R415 A421 N514Q386-I413 HydrophobicContact CB-CG1 3.87Å; K387-I413 HydrophobicContact CB-CG1 4.26Å; K387-I413 HydrophobicContact CB-CG2 4.31Å; I413-R415 HydrophobicContact CG2-CG 4.16Å; I413-A421 HydrophobicContact CG2-CB 3.91Å; I413-N514 VanDerWaalsContact CD1-O 3.31Å; I413-N514 WeakPolarHBondContact CD1-O 3.42Å
414I96.8Very high95.3Very high59 Ų5946.7 Ų46.730%0.30328%0.279SS..PPolyproline II helixtrans-89.3123.9168.7-53.9-54000109S277 P412 K422S277-I414 WeakPolarHBondContact OG-CG1 3.41Å; P412-I414 PolarHBondContact O-N 3.06Å; I414-K422 HydrophobicContact CG2-CD 3.96Å; I414-K422 PolarHBondContact O-N 3.11Å
415R95.5Very high94.9Very high85 Ų8547.5 Ų47.532%0.32128%0.281SS..BIsolated β-bridgetrans-106.6153178.6-62.8179.4176.9-72.6-8.3110.4I413 G419 L420 D513 N514I413-R415 HydrophobicContact CG2-CG 4.16Å; R415-G419 WeakPolarHBondContact CD-O 3.5Å; R415-G419 PolarHBondContact NH1-O 2.81Å; R415-L420 CarbonylContact C-O 3.35Å; R415-L420 WeakPolarHBondContact CA-O 3.43Å; R415-D513 IonicContact CZ-OD1 3.84Å; R415-D513 IonicContact CZ-OD2 2.91Å; R415-D513 IonicContact NH1-OD1 3.75Å; R415-D513 PolarHBondContact NH1-OD1 3.04Å; R415-D513 IonicContact NH1-OD2 3.76Å; R415-D513 PolarHBondContact NH1-OD2 3.01Å; R415-D513 IonicContact NH2-OD1 2.82Å; R415-D513 PolarHBondContact NH2-OD1 3.3Å; R415-D513 IonicContact NH2-OD2 3.72Å; R415-N514 PolarHBondContact NH2-O 3.19Å
416E93.3Very high94.6Very high59 Ų5942.5 Ų42.528%0.27625%0.248SC..  trans-71.3167.5164.2-62.8-175.3-139.500109.9D418 G419 L420 K422 N426 R434E416-D418 WeakPolarHBondContact CB-OD1 3.33Å; E416-D418 PolarHBondContact O-N 3.23Å; E416-D418 VanDerWaalsContact O-N 3.16Å; E416-G419 PolarHBondContact O-N 2.82Å; E416-L420 PolarHBondContact N-O 2.94Å; E416-K422 HydrophobicContact CG-CD 4.44Å; E416-K422 HydrophobicContact CG-CG 3.64Å; E416-N426 PolarHBondContact OE1-ND2 3.03Å; E416-R434 IonicContact OE1-NH2 3.63Å; E416-R434 IonicContact OE2-CZ 2.99Å; E416-R434 IonicContact OE2-NE 3.91Å; E416-R434 IonicContact OE2-NH2 3.73Å; E416-R434 PolarHBondContact OE2-NH2 3.03Å
417A91.8Very high94.1Very high121 Ų12145.2 Ų45.2100%127%0.267SS*.THydrogen-bonded Turntrans-62.5-24.2-175.400000113.4G419A417-G419 VanDerWaalsContact C-N 3.32Å
418D93.6Very high93.7Very high72 Ų7243.9 Ų43.939%0.38526%0.256SS..THydrogen-bonded Turntrans-87.41.7176.160.56.7000113.5E416 L420 R434 L438E416-D418 WeakPolarHBondContact CB-OD1 3.33Å; E416-D418 PolarHBondContact O-N 3.23Å; E416-D418 VanDerWaalsContact O-N 3.16Å; D418-L420 PolarHBondContact OD1-N 3.09Å; D418-R434 IonicContact OD1-NH2 2.74Å; D418-R434 PolarHBondContact OD1-NH2 3.49Å; D418-R434 IonicContact OD2-CZ 3.8Å; D418-R434 VanDerWaalsContact OD2-CZ 3.28Å; D418-R434 IonicContact OD2-NH1 3.3Å; D418-R434 PolarHBondContact OD2-NH1 2.83Å; D418-R434 IonicContact OD2-NH2 3.36Å; D418-R434 PolarHBondContact OD2-NH2 3.02Å; D418-L438 HydrophobicContact CB-CD1 4.32Å; D418-L438 HydrophobicContact CB-CD2 3.89Å; D418-L438 VanDerWaalsContact CG-CD2 3.43Å; D418-L438 WeakPolarHBondContact OD2-CD2 3.39Å
419G93.3Very high93.5Very high15 Ų1543.7 Ų43.716%0.15526%0.255CS..SBendtrans95.1-11.9176.300000115.1R415 E416 A417 A421 S441R415-G419 WeakPolarHBondContact CD-O 3.5Å; R415-G419 PolarHBondContact NH1-O 2.81Å; E416-G419 PolarHBondContact O-N 2.82Å; A417-G419 VanDerWaalsContact C-N 3.32Å; G419-A421 PolarHBondContact O-N 3.06Å; G419-S441 PolarHBondContact O-OG 2.81Å
420L94.4Very high93.3Very high4 Ų445 Ų452%0.02126%0.262CS..PPolyproline II helixtrans-63.8130.1179-169.365.7000110.6R415 E416 D418 K422 R434 A437 L438R415-L420 CarbonylContact C-O 3.35Å; R415-L420 WeakPolarHBondContact CA-O 3.43Å; E416-L420 PolarHBondContact N-O 2.94Å; D418-L420 PolarHBondContact OD1-N 3.09Å; L420-K422 PolarHBondContact O-N 3.27Å; L420-R434 VanDerWaalsContact CD2-NE 3.31Å; L420-A437 HydrophobicContact CD1-CB 4.01Å; L420-A437 WeakPolarHBondContact CD1-O 3.48Å; L420-A437 HydrophobicContact CD2-CB 4.14Å; L420-L438 HydrophobicContact CB-CD2 3.98Å
421A95.1Very high93.2Very high4 Ų448.8 Ų48.83%0.03328%0.284CS..BIsolated β-bridgetrans-62132.2173.100000110.7K387 I413 G419 S423 N426K387-A421 HydrophobicContact CD-CB 4.08Å; K387-A421 HydrophobicContact CG-CB 4.48Å; I413-A421 HydrophobicContact CG2-CB 3.91Å; G419-A421 PolarHBondContact O-N 3.06Å; A421-S423 PolarHBondContact O-N 3.12Å; A421-N426 PolarHBondContact O-ND2 3.45Å
422K93.4Very high93.2Very high36 Ų3651.3 Ų51.316%0.15731%0.305CS..PPolyproline II helixtrans-65.2133.9178.4-76.7-174.8174.3-85.30110.7E273 K387 I414 E416 L420E273-K422 HydrophobicContact CB-CD 3.94Å; E273-K422 IonicContact OE1-NZ 3.38Å; E273-K422 PolarHBondContact OE1-NZ 3.33Å; E273-K422 VanDerWaalsContact OE2-CD 3.31Å; E273-K422 WeakPolarHBondContact OE2-CD 3.19Å; E273-K422 WeakPolarHBondContact OE2-CE 3.38Å; E273-K422 IonicContact OE2-NZ 3.76Å; E273-K422 PolarHBondContact OE2-NZ 3.01Å; K387-K422 VanDerWaalsContact CD-O 3.31Å; K387-K422 WeakPolarHBondContact CD-O 3.42Å; K387-K422 WeakPolarHBondContact CE-O 3.49Å; I414-K422 HydrophobicContact CG2-CD 3.96Å; I414-K422 PolarHBondContact O-N 3.11Å; E416-K422 HydrophobicContact CG-CD 4.44Å; E416-K422 HydrophobicContact CG-CG 3.64Å; L420-K422 PolarHBondContact O-N 3.27Å
423S91.9Very high93.2Very high19 Ų1948.6 Ų48.613%0.13329%0.285CS..  trans-150.6147.5176.6-170.70000111.3H272 A421 R425 N426H272-S423 WeakPolarHBondContact NE2-CA 3.27Å; A421-S423 PolarHBondContact O-N 3.12Å; S423-R425 PolarHBondContact O-N 3Å; S423-R425 PolarHBondContact OG-N 3.12Å; S423-N426 PolarHBondContact N-ND2 3.2Å; S423-N426 WeakPolarHBondContact O-CB 3.2Å; S423-N426 PolarHBondContact O-N 3.07Å; S423-N426 VanDerWaalsContact O-N 3.07Å
424S87.4Confident93.2Very high16 Ų1649 Ų4911%0.11228%0.284CS..G310 helixtrans-57.6-32.2168.456.80000112.4Y309 N426 S427Y309-S424 PolarHBondContact OH-OG 2.95Å; S424-N426 PolarHBondContact O-N 3.23Å; S424-S427 WeakPolarHBondContact O-CB 3.45Å; S424-S427 PolarHBondContact O-N 2.72Å; S424-S427 PolarHBondContact O-OG 2.88Å
425R89.8Confident93.2Very high39 Ų3951.8 Ų51.815%0.14730%0.296CS..G310 helixtrans-67.8-17.5176.7-67.2-171169.6161.50.8114.1D305 S423 S427 Y428 T509 R510 L511D305-R425 IonicContact OD1-CZ 2.73Å; D305-R425 IonicContact OD1-NE 3.28Å; D305-R425 IonicContact OD1-NH2 3.69Å; D305-R425 PolarHBondContact OD1-NH2 3.03Å; D305-R425 IonicContact OD2-CZ 3.45Å; D305-R425 IonicContact OD2-NE 3.32Å; D305-R425 PolarHBondContact OD2-NE 3.33Å; D305-R425 IonicContact OD2-NH2 2.75Å; S423-R425 PolarHBondContact O-N 3Å; S423-R425 PolarHBondContact OG-N 3.12Å; R425-S427 PolarHBondContact O-N 2.98Å; R425-S427 VanDerWaalsContact O-N 3.12Å; R425-Y428 HydrophobicContact CB-CD2 4.07Å; R425-Y428 HydrophobicContact CB-CE2 4.17Å; R425-Y428 HydrophobicContact CG-CD2 4.16Å; R425-Y428 HydrophobicContact CG-CE2 3.78Å; R425-Y428 WeakPolarHBondContact O-CB 3.44Å; R425-Y428 PolarHBondContact O-N 3.43Å; R425-T509 HydrophobicContact CB-CG2 4.08Å; R425-R510 VanDerWaalsContact CD-O 3.26Å; R425-R510 WeakPolarHBondContact CD-O 3.32Å; R425-R510 PolarHBondContact NH1-O 2.86Å; R425-R510 VanDerWaalsContact NH1-O 3.09Å; R425-L511 HydrophobicContact CB-CD2 4.01Å
426N90.7Very high93.3Very high20 Ų2047.8 Ų47.811%0.10728%0.281CS..G310 helixtrans-60.4-24.7174.2-65.31.1000111.1E416 A421 S423 S424 Y428 L429E416-N426 PolarHBondContact OE1-ND2 3.03Å; A421-N426 PolarHBondContact O-ND2 3.45Å; S423-N426 PolarHBondContact N-ND2 3.2Å; S423-N426 WeakPolarHBondContact O-CB 3.2Å; S423-N426 PolarHBondContact O-N 3.07Å; S423-N426 VanDerWaalsContact O-N 3.07Å; S424-N426 PolarHBondContact O-N 3.23Å; N426-Y428 PolarHBondContact O-N 3.39Å; N426-L429 HydrophobicContact CB-CD1 4.44Å; N426-L429 WeakPolarHBondContact O-CB 3.31Å; N426-L429 PolarHBondContact O-N 2.71Å
427S88.4Confident93.5Very high73 Ų7345 Ų4551%0.5127%0.268SS..G310 helixtrans-69.5-15176.468.50000114.7S424 R425S424-S427 WeakPolarHBondContact O-CB 3.45Å; S424-S427 PolarHBondContact O-N 2.72Å; S424-S427 PolarHBondContact O-OG 2.88Å; R425-S427 PolarHBondContact O-N 2.98Å; R425-S427 VanDerWaalsContact O-N 3.12Å
428Y89.3Confident93.7Very high63 Ų6340.1 Ų40.125%0.24723%0.225CC..G310 helixtrans-84.6-17175.8-54.2-27.7000112.9D305 S308 P310 R425 N426 T509D305-Y428 HydrophobicContact CB-CE2 4.37Å; D305-Y428 VanDerWaalsContact OD2-CE2 3.29Å; D305-Y428 WeakPolarHBondContact OD2-CE2 3.35Å; D305-Y428 PolarHBondContact OD2-OH 3.01Å; D305-Y428 VanDerWaalsContact OD2-OH 3.06Å; S308-Y428 PolarHBondContact O-OH 3.35Å; P310-Y428 WeakPolarHBondContact CD-OH 3.28Å; P310-Y428 HydrophobicContact CG-CE1 3.95Å; R425-Y428 HydrophobicContact CB-CD2 4.07Å; R425-Y428 HydrophobicContact CB-CE2 4.17Å; R425-Y428 HydrophobicContact CG-CD2 4.16Å; R425-Y428 HydrophobicContact CG-CE2 3.78Å; R425-Y428 WeakPolarHBondContact O-CB 3.44Å; R425-Y428 PolarHBondContact O-N 3.43Å; N426-Y428 PolarHBondContact O-N 3.39Å; Y428-T509 WeakPolarHBondContact CB-OG1 3.31Å; Y428-T509 HydrophobicContact CD2-CG2 4.1Å
429L93.1Very high93.9Very high18 Ų1836.7 Ų36.79%0.09421%0.206CC..  trans-77.6127.3-175.9-56.5169.4000109.4N426 E433 R434 A437 I506 T509 L511N426-L429 HydrophobicContact CB-CD1 4.44Å; N426-L429 WeakPolarHBondContact O-CB 3.31Å; N426-L429 PolarHBondContact O-N 2.71Å; L429-E433 HydrophobicContact CB-CB 4.04Å; L429-E433 HydrophobicContact CD2-CB 3.94Å; L429-R434 HydrophobicContact CB-CB 4Å; L429-R434 HydrophobicContact CD1-CB 4.44Å; L429-A437 HydrophobicContact CD1-CB 3.99Å; L429-I506 HydrophobicContact CD2-CB 4.15Å; L429-I506 HydrophobicContact CD2-CG2 4.29Å; L429-T509 HydrophobicContact CD2-CG2 3.82Å; L429-T509 HydrophobicContact CG-CG2 4.37Å; L429-L511 HydrophobicContact CD1-CD1 3.96Å; L429-L511 HydrophobicContact CD2-CD1 4.4Å
430N95Very high94.1Very high73 Ų7336 Ų3639%0.3920%0.199SC..  trans-70.5169.5164.373.554.1000110.6A432 E433 R434N430-A432 VanDerWaalsContact C-N 3.3Å; N430-A432 PolarHBondContact O-N 2.73Å; N430-A432 WeakPolarHBondContact OD1-CB 3.31Å; N430-A432 PolarHBondContact OD1-N 3.4Å; N430-E433 PolarHBondContact N-OE2 2.93Å; N430-E433 WeakPolarHBondContact ND2-CG 3.38Å; N430-E433 PolarHBondContact ND2-OE1 3.11Å; N430-E433 PolarHBondContact ND2-OE2 2.91Å; N430-E433 PolarHBondContact O-N 2.93Å; N430-E433 VanDerWaalsContact O-N 3.16Å; N430-E433 PolarHBondContact OD1-N 2.84Å; N430-R434 WeakPolarHBondContact O-CB 3.36Å; N430-R434 PolarHBondContact O-N 3.43Å
431P95.2Very high94.3Very high118 Ų11837 Ų3777%0.76621%0.206SC*.Hα-helixtrans-55.6-37.7-176.7-29.136.7000115.2Q435P431-Q435 PolarHBondContact O-N 2.99Å; P431-Q435 VanDerWaalsContact O-N 3.15Å
432A96.2Very high94.4Very high60 Ų6041.1 Ų41.150%0.49622%0.221SC..Hα-helixtrans-71.3-43.4177.900000111.5N430 R434 Q435 A436N430-A432 VanDerWaalsContact C-N 3.3Å; N430-A432 PolarHBondContact O-N 2.73Å; N430-A432 WeakPolarHBondContact OD1-CB 3.31Å; N430-A432 PolarHBondContact OD1-N 3.4Å; A432-R434 VanDerWaalsContact C-N 3.34Å; A432-R434 PolarHBondContact O-N 3.03Å; A432-Q435 PolarHBondContact O-N 3.33Å; A432-A436 WeakPolarHBondContact O-CB 3.38Å; A432-A436 PolarHBondContact O-N 2.86Å
433E97.5Very high94.6Very high34 Ų3439.4 Ų39.416%0.15921%0.214CC..Hα-helixtrans-63.3-38.8174.2-71.9172.216100111.8L429 N430 Q435 A436 A437 L474 I506L429-E433 HydrophobicContact CB-CB 4.04Å; L429-E433 HydrophobicContact CD2-CB 3.94Å; N430-E433 PolarHBondContact N-OE2 2.93Å; N430-E433 WeakPolarHBondContact ND2-CG 3.38Å; N430-E433 PolarHBondContact ND2-OE1 3.11Å; N430-E433 PolarHBondContact ND2-OE2 2.91Å; N430-E433 PolarHBondContact O-N 2.93Å; N430-E433 VanDerWaalsContact O-N 3.16Å; N430-E433 PolarHBondContact OD1-N 2.84Å; E433-Q435 VanDerWaalsContact C-N 3.3Å; E433-Q435 PolarHBondContact O-N 2.96Å; E433-A436 PolarHBondContact O-N 3.33Å; E433-A437 WeakPolarHBondContact O-CB 3.24Å; E433-A437 PolarHBondContact O-N 3.15Å; E433-L474 HydrophobicContact CG-CD1 4.22Å; E433-I506 HydrophobicContact CB-CG2 3.83Å; E433-I506 HydrophobicContact CG-CG2 4.18Å; E433-I506 VanDerWaalsContact O-CG2 3.3Å; E433-I506 WeakPolarHBondContact O-CG2 3.46Å
434R96.4Very high94.9Very high42 Ų4238.7 Ų38.716%0.15821%0.208CC..Hα-helixtrans-65.9-35.3178179.157.7-175.373.11112E416 D418 L420 L429 N430 A432E416-R434 IonicContact OE1-NH2 3.63Å; E416-R434 IonicContact OE2-CZ 2.99Å; E416-R434 IonicContact OE2-NE 3.91Å; E416-R434 IonicContact OE2-NH2 3.73Å; E416-R434 PolarHBondContact OE2-NH2 3.03Å; D418-R434 IonicContact OD1-NH2 2.74Å; D418-R434 PolarHBondContact OD1-NH2 3.49Å; D418-R434 IonicContact OD2-CZ 3.8Å; D418-R434 VanDerWaalsContact OD2-CZ 3.28Å; D418-R434 IonicContact OD2-NH1 3.3Å; D418-R434 PolarHBondContact OD2-NH1 2.83Å; D418-R434 IonicContact OD2-NH2 3.36Å; D418-R434 PolarHBondContact OD2-NH2 3.02Å; L420-R434 VanDerWaalsContact CD2-NE 3.31Å; L429-R434 HydrophobicContact CB-CB 4Å; L429-R434 HydrophobicContact CD1-CB 4.44Å; N430-R434 WeakPolarHBondContact O-CB 3.36Å; N430-R434 PolarHBondContact O-N 3.43Å; A432-R434 VanDerWaalsContact C-N 3.34Å; A432-R434 PolarHBondContact O-N 3.03Å
435Q96.1Very high95.4Very high117 Ų11743.6 Ų43.655%0.54723%0.228SC..Hα-helixtrans-69.5-43.8173-173.261.923.700111.2P431 A432 E433 A437 L438P431-Q435 PolarHBondContact O-N 2.99Å; P431-Q435 VanDerWaalsContact O-N 3.15Å; A432-Q435 PolarHBondContact O-N 3.33Å; E433-Q435 VanDerWaalsContact C-N 3.3Å; E433-Q435 PolarHBondContact O-N 2.96Å; Q435-A437 VanDerWaalsContact C-N 3.29Å; Q435-A437 PolarHBondContact O-N 3.16Å; Q435-L438 WeakPolarHBondContact O-CB 3.47Å; Q435-L438 WeakPolarHBondContact O-CG 3.43Å; Q435-L438 PolarHBondContact O-N 2.79Å
436A97.1Very high95.7Very high1 Ų143.9 Ų43.91%0.00823%0.232CC..Hα-helixtrans-60.7-36.5176.100000112.4A432 E433 L438 V439 E472 L474 I506A432-A436 WeakPolarHBondContact O-CB 3.38Å; A432-A436 PolarHBondContact O-N 2.86Å; E433-A436 PolarHBondContact O-N 3.33Å; A436-L438 PolarHBondContact O-N 3.48Å; A436-V439 WeakPolarHBondContact O-CB 3.31Å; A436-V439 VanDerWaalsContact O-CG1 3.24Å; A436-V439 WeakPolarHBondContact O-CG1 3.1Å; A436-V439 PolarHBondContact O-N 3.2Å; A436-E472 HydrophobicContact CB-CG 3.49Å; A436-E472 VanDerWaalsContact CB-CG 3.49Å; A436-L474 HydrophobicContact CB-CB 4.03Å; A436-L474 HydrophobicContact CB-CD1 4Å; A436-I506 HydrophobicContact CB-CG2 3.92Å
437A97.4Very high96.1Very high0 Ų043 Ų430%023%0.227CC..THydrogen-bonded Turntrans-58.5-20.9178.300000114.1L420 L429 E433 Q435 V439 L440 I506 L511L420-A437 HydrophobicContact CD1-CB 4.01Å; L420-A437 WeakPolarHBondContact CD1-O 3.48Å; L420-A437 HydrophobicContact CD2-CB 4.14Å; L429-A437 HydrophobicContact CD1-CB 3.99Å; E433-A437 WeakPolarHBondContact O-CB 3.24Å; E433-A437 PolarHBondContact O-N 3.15Å; Q435-A437 VanDerWaalsContact C-N 3.29Å; Q435-A437 PolarHBondContact O-N 3.16Å; A437-V439 PolarHBondContact O-N 3.25Å; A437-V439 VanDerWaalsContact O-N 3.13Å; A437-L440 VanDerWaalsContact O-CD1 3.28Å; A437-L440 WeakPolarHBondContact O-CD1 3.34Å; A437-L440 PolarHBondContact O-N 2.77Å; A437-I506 HydrophobicContact CB-CG1 4.06Å; A437-L511 HydrophobicContact CB-CD1 3.67Å
438L97.1Very high96.5Very high18 Ų1843.1 Ų43.19%0.09422%0.22CC..Hα-helixtrans-62.2-18.4174.9-62.9-178.2000113.5D418 L420 Q435 A436 L440 S441 R442D418-L438 HydrophobicContact CB-CD1 4.32Å; D418-L438 HydrophobicContact CB-CD2 3.89Å; D418-L438 VanDerWaalsContact CG-CD2 3.43Å; D418-L438 WeakPolarHBondContact OD2-CD2 3.39Å; L420-L438 HydrophobicContact CB-CD2 3.98Å; Q435-L438 WeakPolarHBondContact O-CB 3.47Å; Q435-L438 WeakPolarHBondContact O-CG 3.43Å; Q435-L438 PolarHBondContact O-N 2.79Å; A436-L438 PolarHBondContact O-N 3.48Å; L438-L440 PolarHBondContact O-N 3.18Å; L438-S441 PolarHBondContact O-N 3.02Å; L438-S441 VanDerWaalsContact O-N 3.11Å; L438-R442 PolarHBondContact O-N 2.86Å
439V97.8Very high96.8Very high0 Ų044.9 Ų44.90%023%0.23CC..Hα-helixtrans-60.2-29.4176.578.80000112.8A436 A437 R442 A443 E468 I469 E472 A475 I506A436-V439 WeakPolarHBondContact O-CB 3.31Å; A436-V439 VanDerWaalsContact O-CG1 3.24Å; A436-V439 WeakPolarHBondContact O-CG1 3.1Å; A436-V439 PolarHBondContact O-N 3.2Å; A437-V439 PolarHBondContact O-N 3.25Å; A437-V439 VanDerWaalsContact O-N 3.13Å; V439-R442 PolarHBondContact O-N 3.33Å; V439-A443 WeakPolarHBondContact O-CB 3.42Å; V439-A443 PolarHBondContact O-N 2.69Å; V439-E468 HydrophobicContact CG2-CG 4.27Å; V439-E468 WeakPolarHBondContact CG2-O 3.2Å; V439-I469 HydrophobicContact CG1-CG1 4.45Å; V439-I469 HydrophobicContact CG1-CG2 4.43Å; V439-I469 HydrophobicContact CG2-CB 4.47Å; V439-I469 HydrophobicContact CG2-CG1 4.28Å; V439-E472 HydrophobicContact CB-CB 4.07Å; V439-E472 HydrophobicContact CB-CG 4.47Å; V439-E472 HydrophobicContact CG1-CB 4.13Å; V439-E472 HydrophobicContact CG1-CG 4.41Å; V439-E472 HydrophobicContact CG2-CB 4.07Å; V439-A475 HydrophobicContact CG1-CB 4.12Å; V439-I506 HydrophobicContact CG1-CD1 4.35Å
440L97.9Very high97Very high1 Ų146.5 Ų46.51%0.00524%0.237CC..Hα-helixtrans-61.3-49173.9-77.381.3000110.5A437 L438 R442 A443 L444 I502 V504 I506 L511 D513A437-L440 VanDerWaalsContact O-CD1 3.28Å; A437-L440 WeakPolarHBondContact O-CD1 3.34Å; A437-L440 PolarHBondContact O-N 2.77Å; L438-L440 PolarHBondContact O-N 3.18Å; L440-R442 VanDerWaalsContact C-N 3.34Å; L440-R442 PolarHBondContact O-N 2.8Å; L440-A443 PolarHBondContact O-N 2.84Å; L440-L444 WeakPolarHBondContact O-CG 3.45Å; L440-L444 PolarHBondContact O-N 2.8Å; L440-I502 HydrophobicContact CB-CD1 3.8Å; L440-I502 HydrophobicContact CD2-CD1 4.15Å; L440-I502 HydrophobicContact CD2-CG1 4.47Å; L440-I502 HydrophobicContact CG-CD1 3.89Å; L440-V504 HydrophobicContact CD1-CB 3.92Å; L440-V504 HydrophobicContact CD1-CG1 4.16Å; L440-V504 HydrophobicContact CD1-CG2 4.34Å; L440-V504 HydrophobicContact CD2-CB 4.22Å; L440-V504 HydrophobicContact CD2-CG2 4.38Å; L440-V504 HydrophobicContact CG-CB 4.07Å; L440-V504 HydrophobicContact CG-CG2 4.04Å; L440-I506 HydrophobicContact CD1-CD1 4.06Å; L440-I506 HydrophobicContact CD1-CG1 4.3Å; L440-L511 HydrophobicContact CD2-CB 3.94Å; L440-D513 HydrophobicContact CD2-CB 4.19Å
441S97Very high97.1Very high24 Ų2443 Ų4317%0.16822%0.219CC..Hα-helixtrans-65.8-37.5179-174.80000111.8G419 L438 K445G419-S441 PolarHBondContact O-OG 2.81Å; L438-S441 PolarHBondContact O-N 3.02Å; L438-S441 VanDerWaalsContact O-N 3.11Å; S441-K445 WeakPolarHBondContact O-CB 3.22Å; S441-K445 PolarHBondContact O-N 3.49Å
442R97.5Very high97.1Very high91 Ų9141.6 Ų41.634%0.34321%0.212SC..Hα-helixtrans-64.7-45.1176.2-66.3-166.6-57.1-98.38.5111.6L438 V439 L440 K445 L446 E468 E472L438-R442 PolarHBondContact O-N 2.86Å; V439-R442 PolarHBondContact O-N 3.33Å; L440-R442 VanDerWaalsContact C-N 3.34Å; L440-R442 PolarHBondContact O-N 2.8Å; R442-K445 PolarHBondContact O-N 3.38Å; R442-L446 WeakPolarHBondContact O-CB 3.46Å; R442-L446 PolarHBondContact O-N 2.89Å; R442-E468 HydrophobicContact CB-CG 4.13Å; R442-E468 WeakPolarHBondContact CB-OE1 3.47Å; R442-E468 IonicContact CZ-OE1 2.96Å; R442-E468 IonicContact NE-OE1 3.12Å; R442-E468 PolarHBondContact NE-OE1 2.94Å; R442-E468 IonicContact NH2-OE1 2.74Å; R442-E472 IonicContact NH2-OE2 3.01Å
443A98.1Very high97.1Very high0 Ų042.7 Ų42.70%022%0.221CC..Hα-helixtrans-63.3-42.817900000112.5V439 L440 L446 A447 M465 E468 I469V439-A443 WeakPolarHBondContact O-CB 3.42Å; V439-A443 PolarHBondContact O-N 2.69Å; L440-A443 PolarHBondContact O-N 2.84Å; A443-L446 PolarHBondContact O-N 3.16Å; A443-A447 PolarHBondContact O-N 3.21Å; A443-A447 VanDerWaalsContact O-N 3.09Å; A443-M465 HydrophobicContact CB-CB 4.3Å; A443-M465 HydrophobicContact CB-CE 4.46Å; A443-E468 HydrophobicContact CB-CB 4.26Å; A443-E468 HydrophobicContact CB-CG 4.04Å; A443-I469 HydrophobicContact CB-CD1 3.86Å; A443-I469 HydrophobicContact CB-CG1 3.74Å
444L97.7Very high97Very high4 Ų443.2 Ų43.22%0.02124%0.235CC..Hα-helixtrans-65.3-41.1175.7-65.6175.4000111.8L440 A447 Q448 M465 V500 I502 D513 F515L440-L444 WeakPolarHBondContact O-CG 3.45Å; L440-L444 PolarHBondContact O-N 2.8Å; L444-A447 PolarHBondContact O-N 2.87Å; L444-Q448 WeakPolarHBondContact O-CG 3.45Å; L444-Q448 PolarHBondContact O-N 2.95Å; L444-M465 HydrophobicContact CD2-CE 3.66Å; L444-V500 HydrophobicContact CD2-CG1 4.27Å; L444-I502 HydrophobicContact CD1-CD1 4.06Å; L444-I502 HydrophobicContact CD1-CG1 4.39Å; L444-I502 HydrophobicContact CD2-CD1 3.88Å; L444-I502 HydrophobicContact CD2-CG1 4.08Å; L444-I502 HydrophobicContact CD2-CG2 4.05Å; L444-I502 HydrophobicContact CG-CD1 3.77Å; L444-I502 HydrophobicContact CG-CG1 4.37Å; L444-D513 HydrophobicContact CD1-CB 3.71Å; L444-F515 HydrophobicContact CB-CD1 3.98Å; L444-F515 HydrophobicContact CB-CE1 4.27Å; L444-F515 HydrophobicContact CD2-CD1 3.72Å; L444-F515 HydrophobicContact CD2-CE1 3.92Å; L444-F515 HydrophobicContact CG-CD1 4.3Å
445K97.1Very high97Very high120 Ų12043.4 Ų43.452%0.52224%0.241SC..Hα-helixtrans-62.6-42.7176-169.6-176.4-178.7-163.10111.7S441 R442 A447 Q448 E449S441-K445 WeakPolarHBondContact O-CB 3.22Å; S441-K445 PolarHBondContact O-N 3.49Å; R442-K445 PolarHBondContact O-N 3.38Å; K445-A447 VanDerWaalsContact C-N 3.3Å; K445-A447 PolarHBondContact O-N 2.91Å; K445-Q448 WeakPolarHBondContact O-CB 3.42Å; K445-Q448 PolarHBondContact O-N 2.73Å; K445-E449 WeakPolarHBondContact CE-OE1 3.3Å; K445-E449 IonicContact NZ-OE1 3.47Å; K445-E449 WeakPolarHBondContact O-CG 3.28Å; K445-E449 PolarHBondContact O-N 2.75Å
446L97.8Very high97Very high45 Ų4541 Ų4124%0.23623%0.227CC..Hα-helixtrans-57.5-43.5174.8176.863.7000111.5R442 A443 E449 Q450 A464 E468R442-L446 WeakPolarHBondContact O-CB 3.46Å; R442-L446 PolarHBondContact O-N 2.89Å; A443-L446 PolarHBondContact O-N 3.16Å; L446-E449 PolarHBondContact O-N 3.32Å; L446-Q450 HydrophobicContact CD1-CG 4.49Å; L446-Q450 WeakPolarHBondContact O-CG 3.47Å; L446-Q450 PolarHBondContact O-N 3.19Å; L446-A464 HydrophobicContact CD2-CB 4.11Å; L446-E468 HydrophobicContact CD2-CB 4.04Å
447A97.4Very high97Very high1 Ų144.9 Ų44.91%0.00825%0.247CC..Hα-helixtrans-64.2-42.7176.300000112.2A443 L444 K445 E449 Q450 L451 M465 F515A443-A447 PolarHBondContact O-N 3.21Å; A443-A447 VanDerWaalsContact O-N 3.09Å; L444-A447 PolarHBondContact O-N 2.87Å; K445-A447 VanDerWaalsContact C-N 3.3Å; K445-A447 PolarHBondContact O-N 2.91Å; A447-E449 VanDerWaalsContact C-N 3.34Å; A447-E449 PolarHBondContact O-N 3.27Å; A447-Q450 PolarHBondContact O-N 2.97Å; A447-L451 WeakPolarHBondContact O-CB 3.46Å; A447-L451 WeakPolarHBondContact O-CD1 3.36Å; A447-L451 VanDerWaalsContact O-CG 3.23Å; A447-L451 WeakPolarHBondContact O-CG 3.34Å; A447-L451 PolarHBondContact O-N 3.09Å; A447-M465 HydrophobicContact CB-CG 3.94Å; A447-M465 HydrophobicContact CB-SD 3.63Å; A447-F515 HydrophobicContact CB-CE1 4.01Å; A447-F515 HydrophobicContact CB-CZ 3.98Å
448Q96.9Very high97Very high75 Ų7545 Ų4535%0.3525%0.249SC..Hα-helixtrans-60.8-41.6174.9-71.2174.8-2600112.2L444 K445 L451 S452 F515L444-Q448 WeakPolarHBondContact O-CG 3.45Å; L444-Q448 PolarHBondContact O-N 2.95Å; K445-Q448 WeakPolarHBondContact O-CB 3.42Å; K445-Q448 PolarHBondContact O-N 2.73Å; Q448-L451 PolarHBondContact O-N 3.32Å; Q448-S452 WeakPolarHBondContact O-CB 3.38Å; Q448-S452 PolarHBondContact O-N 3.39Å; Q448-S452 PolarHBondContact O-OG 3.32Å; Q448-F515 HydrophobicContact CG-CD1 4.11Å; Q448-F515 HydrophobicContact CG-CD2 3.64Å; Q448-F515 HydrophobicContact CG-CE1 3.95Å; Q448-F515 HydrophobicContact CG-CE2 3.44Å; Q448-F515 VanDerWaalsContact CG-CE2 3.44Å; Q448-F515 HydrophobicContact CG-CG 3.99Å; Q448-F515 HydrophobicContact CG-CZ 3.62Å
449E97.3Very high97Very high101 Ų10149.2 Ų49.247%0.47227%0.267SS..Hα-helixtrans-65.3-43.5178.1-73.4171.3-176.900111.2K445 L446 A447 S452 A453K445-E449 WeakPolarHBondContact CE-OE1 3.3Å; K445-E449 IonicContact NZ-OE1 3.47Å; K445-E449 WeakPolarHBondContact O-CG 3.28Å; K445-E449 PolarHBondContact O-N 2.75Å; L446-E449 PolarHBondContact O-N 3.32Å; A447-E449 VanDerWaalsContact C-N 3.34Å; A447-E449 PolarHBondContact O-N 3.27Å; E449-S452 PolarHBondContact O-N 2.79Å; E449-A453 WeakPolarHBondContact O-CB 3.32Å; E449-A453 PolarHBondContact O-N 2.64Å
450Q97.5Very high97Very high51 Ų5151 Ų5124%0.23828%0.282CS..Hα-helixtrans-67.8-39.3176.3-72.2-170.828.400112.9L446 A447 S452 A453 G454 V455 L461 A464L446-Q450 HydrophobicContact CD1-CG 4.49Å; L446-Q450 WeakPolarHBondContact O-CG 3.47Å; L446-Q450 PolarHBondContact O-N 3.19Å; A447-Q450 PolarHBondContact O-N 2.97Å; Q450-S452 VanDerWaalsContact C-N 3.35Å; Q450-A453 CarbonylContact O-C 3.42Å; Q450-A453 PolarHBondContact O-N 2.99Å; Q450-G454 PolarHBondContact O-N 3Å; Q450-V455 HydrophobicContact CB-CB 4.17Å; Q450-V455 HydrophobicContact CB-CG2 4Å; Q450-V455 VanDerWaalsContact O-CB 3.31Å; Q450-V455 WeakPolarHBondContact O-CB 3.46Å; Q450-V455 WeakPolarHBondContact O-CG2 3.42Å; Q450-V455 PolarHBondContact O-N 2.59Å; Q450-L461 HydrophobicContact CB-CD2 3.44Å; Q450-L461 VanDerWaalsContact CB-CD2 3.44Å; Q450-L461 HydrophobicContact CG-CD2 4.4Å; Q450-A464 VanDerWaalsContact NE2-CB 3.31Å
451L96.5Very high97Very high0 Ų051 Ų510%028%0.282CS..Hα-helixtrans-59.9-45.7171.5-75.9165.3000111.1A447 Q448 A453 G454 R456 L461 I494 I498 F515 W517A447-L451 WeakPolarHBondContact O-CB 3.46Å; A447-L451 WeakPolarHBondContact O-CD1 3.36Å; A447-L451 VanDerWaalsContact O-CG 3.23Å; A447-L451 WeakPolarHBondContact O-CG 3.34Å; A447-L451 PolarHBondContact O-N 3.09Å; Q448-L451 PolarHBondContact O-N 3.32Å; L451-A453 PolarHBondContact O-N 2.9Å; L451-G454 PolarHBondContact O-N 2.96Å; L451-R456 PolarHBondContact O-NH1 3.09Å; L451-L461 HydrophobicContact CD1-CD1 4.45Å; L451-L461 HydrophobicContact CD2-CD1 3.65Å; L451-L461 HydrophobicContact CG-CD1 3.87Å; L451-I494 HydrophobicContact CD2-CD1 3.66Å; L451-I494 HydrophobicContact CD2-CG2 4.4Å; L451-I498 HydrophobicContact CD1-CD1 4.42Å; L451-F515 HydrophobicContact CD1-CE2 3.75Å; L451-F515 HydrophobicContact CD1-CZ 3.71Å; L451-W517 HydrophobicContact CB-CD2 3.94Å; L451-W517 HydrophobicContact CB-CE3 4.01Å; L451-W517 HydrophobicContact CB-CH2 3.83Å; L451-W517 HydrophobicContact CB-CZ2 3.73Å; L451-W517 HydrophobicContact CB-CZ3 3.96Å; L451-W517 HydrophobicContact CD1-CB 4.26Å; L451-W517 HydrophobicContact CD1-CD2 3.79Å; L451-W517 HydrophobicContact CD1-CE3 3.96Å; L451-W517 HydrophobicContact CD1-CG 3.9Å; L451-W517 HydrophobicContact CG-CD2 4.34Å
452S95.5Very high97Very high88 Ų8851 Ų5162%0.61528%0.28SS*.Hα-helixtrans-62-32.3175.9-55.30000112.3Q448 E449 Q450 G454 W517Q448-S452 WeakPolarHBondContact O-CB 3.38Å; Q448-S452 PolarHBondContact O-N 3.39Å; Q448-S452 PolarHBondContact O-OG 3.32Å; E449-S452 PolarHBondContact O-N 2.79Å; Q450-S452 VanDerWaalsContact C-N 3.35Å; S452-G454 PolarHBondContact O-N 3.15Å; S452-W517 VanDerWaalsContact OG-CH2 3.32Å; S452-W517 WeakPolarHBondContact OG-CH2 3.39Å
453A96Very high97.1Very high84 Ų8452.3 Ų52.369%0.69429%0.29SS*.THydrogen-bonded Turntrans-78.81.1176.400000114.3E449 Q450 L451E449-A453 WeakPolarHBondContact O-CB 3.32Å; E449-A453 PolarHBondContact O-N 2.64Å; Q450-A453 CarbonylContact O-C 3.42Å; Q450-A453 PolarHBondContact O-N 2.99Å; L451-A453 PolarHBondContact O-N 2.9Å
454G95.5Very high97Very high44 Ų4453.4 Ų53.445%0.45430%0.299SS..THydrogen-bonded Turntrans965.4176.100000115.1Q450 L451 S452 R456Q450-G454 PolarHBondContact O-N 3Å; L451-G454 PolarHBondContact O-N 2.96Å; S452-G454 PolarHBondContact O-N 3.15Å; G454-R456 VanDerWaalsContact C-NH1 3.3Å; G454-R456 VanDerWaalsContact CA-NH1 3.31Å; G454-R456 PolarHBondContact O-N 3.42Å
455V96Very high97.1Very high47 Ų4753.2 Ų53.229%0.28530%0.298SS..  trans-66.8129.4172.3-178.10000108.7Q450 A460 L461Q450-V455 HydrophobicContact CB-CB 4.17Å; Q450-V455 HydrophobicContact CB-CG2 4Å; Q450-V455 VanDerWaalsContact O-CB 3.31Å; Q450-V455 WeakPolarHBondContact O-CB 3.46Å; Q450-V455 WeakPolarHBondContact O-CG2 3.42Å; Q450-V455 PolarHBondContact O-N 2.59Å; V455-A460 HydrophobicContact CG1-CB 4.47Å; V455-L461 HydrophobicContact CB-CD2 4.23Å; V455-L461 HydrophobicContact CG1-CD2 3.87Å; V455-L461 HydrophobicContact CG1-CG 3.99Å
456R96.3Very high97.1Very high67 Ų6750.1 Ų50.125%0.25329%0.29SS..  trans-125.9-5.4179.3-61.9-62.4179.8-94.54.1114.2L451 G454 S458 I494 E519L451-R456 PolarHBondContact O-NH1 3.09Å; G454-R456 VanDerWaalsContact C-NH1 3.3Å; G454-R456 VanDerWaalsContact CA-NH1 3.31Å; G454-R456 PolarHBondContact O-N 3.42Å; R456-S458 PolarHBondContact O-N 3.02Å; R456-I494 HydrophobicContact CB-CB 4.47Å; R456-I494 VanDerWaalsContact CD-O 3.27Å; R456-I494 WeakPolarHBondContact CD-O 3.29Å; R456-I494 WeakPolarHBondContact O-CG1 3.2Å; R456-I494 PolarHBondContact O-N 3.02Å; R456-E519 IonicContact CZ-OE1 3.29Å; R456-E519 VanDerWaalsContact CZ-OE1 3.29Å; R456-E519 IonicContact NE-OE1 3.14Å; R456-E519 PolarHBondContact NE-OE1 2.93Å; R456-E519 IonicContact NH2-OE1 2.74Å; R456-E519 PolarHBondContact NH2-OE1 3.37Å
457N97.4Very high97.1Very high81 Ų8151.1 Ų51.143%0.43330%0.304SS..BIsolated β-bridgetrans-82.6117.4177.3-177.5-78.5000110Q459 A460 L461N457-Q459 VanDerWaalsContact C-N 3.34Å; N457-Q459 PolarHBondContact O-N 3.25Å; N457-Q459 WeakPolarHBondContact OD1-CA 3.43Å; N457-Q459 WeakPolarHBondContact OD1-CB 3.28Å; N457-Q459 PolarHBondContact OD1-N 3.25Å; N457-Q459 VanDerWaalsContact OD1-N 3.07Å; N457-A460 HydrophobicContact CB-CB 4.1Å; N457-A460 PolarHBondContact O-N 3.22Å; N457-A460 PolarHBondContact OD1-N 3.13Å; N457-L461 PolarHBondContact O-N 3.03Å
458S97.2Very high97.2Very high4 Ų453.5 Ų53.53%0.02832%0.315CS..Hα-helixtrans-64.3-38.4-176.9-65.80000113R456 A460 L461 I462 V491 D492 I494R456-S458 PolarHBondContact O-N 3.02Å; S458-A460 VanDerWaalsContact C-N 3.31Å; S458-A460 PolarHBondContact O-N 3.38Å; S458-L461 PolarHBondContact O-N 3.22Å; S458-I462 VanDerWaalsContact O-CG1 3.28Å; S458-I462 WeakPolarHBondContact O-CG1 3.25Å; S458-I462 PolarHBondContact O-N 3.11Å; S458-V491 WeakPolarHBondContact CB-O 3.46Å; S458-V491 PolarHBondContact OG-O 3.49Å; S458-D492 PolarHBondContact N-O 3.04Å; S458-D492 PolarHBondContact OG-O 2.91Å; S458-I494 WeakPolarHBondContact OG-CG1 3.22Å
459Q97.3Very high97.2Very high105 Ų10550 Ų5049%0.49130%0.298SS..Hα-helixtrans-64.4-37.3-179.4-171.56045.600111.9N457 Q463N457-Q459 VanDerWaalsContact C-N 3.34Å; N457-Q459 PolarHBondContact O-N 3.25Å; N457-Q459 WeakPolarHBondContact OD1-CA 3.43Å; N457-Q459 WeakPolarHBondContact OD1-CB 3.28Å; N457-Q459 PolarHBondContact OD1-N 3.25Å; N457-Q459 VanDerWaalsContact OD1-N 3.07Å; Q459-Q463 WeakPolarHBondContact O-CB 3.49Å; Q459-Q463 WeakPolarHBondContact O-CG 3.03Å; Q459-Q463 PolarHBondContact O-N 3.38Å
460A97Very high97.2Very high38 Ų3848.7 Ų48.731%0.31431%0.305SS..Hα-helixtrans-63.4-43.5174.900000111.7V455 N457 S458 Q463 A464V455-A460 HydrophobicContact CG1-CB 4.47Å; N457-A460 HydrophobicContact CB-CB 4.1Å; N457-A460 PolarHBondContact O-N 3.22Å; N457-A460 PolarHBondContact OD1-N 3.13Å; S458-A460 VanDerWaalsContact C-N 3.31Å; S458-A460 PolarHBondContact O-N 3.38Å; A460-Q463 PolarHBondContact O-N 3.07Å; A460-A464 PolarHBondContact O-N 3.04Å
461L97.6Very high97.2Very high0 Ų049.5 Ų49.50%032%0.317CS..Hα-helixtrans-65.2-46.6176.2-66.6173000111.7Q450 L451 V455 N457 S458 Q463 A464 M465 I482 I494Q450-L461 HydrophobicContact CB-CD2 3.44Å; Q450-L461 VanDerWaalsContact CB-CD2 3.44Å; Q450-L461 HydrophobicContact CG-CD2 4.4Å; L451-L461 HydrophobicContact CD1-CD1 4.45Å; L451-L461 HydrophobicContact CD2-CD1 3.65Å; L451-L461 HydrophobicContact CG-CD1 3.87Å; V455-L461 HydrophobicContact CB-CD2 4.23Å; V455-L461 HydrophobicContact CG1-CD2 3.87Å; V455-L461 HydrophobicContact CG1-CG 3.99Å; N457-L461 PolarHBondContact O-N 3.03Å; S458-L461 PolarHBondContact O-N 3.22Å; L461-Q463 VanDerWaalsContact C-N 3.28Å; L461-Q463 PolarHBondContact O-N 2.91Å; L461-A464 PolarHBondContact O-N 2.69Å; L461-A464 VanDerWaalsContact O-N 3.16Å; L461-M465 VanDerWaalsContact O-CG 3.29Å; L461-M465 WeakPolarHBondContact O-CG 3.37Å; L461-M465 PolarHBondContact O-N 2.84Å; L461-I482 HydrophobicContact CB-CD1 3.64Å; L461-I482 HydrophobicContact CD1-CD1 3.71Å; L461-I482 HydrophobicContact CG-CD1 4.32Å; L461-I494 HydrophobicContact CD1-CD1 3.44Å; L461-I494 VanDerWaalsContact CD1-CD1 3.44Å
462I98Very high97.2Very high25 Ų2551.7 Ų51.713%0.12833%0.327CS..Hα-helixtrans-59.1-41.9177.2-68.3167.8000110.3S458 M465 T466 I480 I482S458-I462 VanDerWaalsContact O-CG1 3.28Å; S458-I462 WeakPolarHBondContact O-CG1 3.25Å; S458-I462 PolarHBondContact O-N 3.11Å; I462-M465 PolarHBondContact O-N 3.47Å; I462-T466 VanDerWaalsContact O-CB 3.25Å; I462-T466 WeakPolarHBondContact O-CB 2.99Å; I462-T466 PolarHBondContact O-N 3.36Å; I462-T466 PolarHBondContact O-OG1 3.09Å; I462-I480 HydrophobicContact CG1-CG2 4.25Å; I462-I480 HydrophobicContact CG2-CB 4.43Å; I462-I480 HydrophobicContact CG2-CG2 4.27Å; I462-I482 HydrophobicContact CD1-CG1 4.36Å; I462-I482 HydrophobicContact CG1-CD1 4.18Å; I462-I482 HydrophobicContact CG1-CG1 4.09Å
463Q97.9Very high97.2Very high119 Ų11953.2 Ų53.256%0.55634%0.335SS*.Hα-helixtrans-62.5-44.3175.7-77.1172.2-2.300112.1Q459 A460 L461 T466 A467Q459-Q463 WeakPolarHBondContact O-CB 3.49Å; Q459-Q463 WeakPolarHBondContact O-CG 3.03Å; Q459-Q463 PolarHBondContact O-N 3.38Å; A460-Q463 PolarHBondContact O-N 3.07Å; L461-Q463 VanDerWaalsContact C-N 3.28Å; L461-Q463 PolarHBondContact O-N 2.91Å; Q463-T466 PolarHBondContact O-N 3.47Å; Q463-A467 PolarHBondContact O-N 3.39Å
464A97.9Very high97.2Very high22 Ų2252.6 Ų52.618%0.18232%0.319CS..Hα-helixtrans-62.8-45.6177.500000112.1L446 Q450 A460 L461 T466 A467 E468L446-A464 HydrophobicContact CD2-CB 4.11Å; Q450-A464 VanDerWaalsContact NE2-CB 3.31Å; A460-A464 PolarHBondContact O-N 3.04Å; L461-A464 PolarHBondContact O-N 2.69Å; L461-A464 VanDerWaalsContact O-N 3.16Å; A464-T466 VanDerWaalsContact C-N 3.35Å; A464-T466 PolarHBondContact O-N 3.25Å; A464-A467 PolarHBondContact O-N 2.88Å; A464-E468 PolarHBondContact O-N 3.22Å
465M98.3Very high97.3Very high0 Ų051.4 Ų51.40%031%0.305CS..Hα-helixtrans-63.5-40.2175.6-66.4176.370.500112.2A443 L444 A447 L461 I462 A467 E468 I469 I480 V500 I502A443-M465 HydrophobicContact CB-CB 4.3Å; A443-M465 HydrophobicContact CB-CE 4.46Å; L444-M465 HydrophobicContact CD2-CE 3.66Å; A447-M465 HydrophobicContact CB-CG 3.94Å; A447-M465 HydrophobicContact CB-SD 3.63Å; L461-M465 VanDerWaalsContact O-CG 3.29Å; L461-M465 WeakPolarHBondContact O-CG 3.37Å; L461-M465 PolarHBondContact O-N 2.84Å; I462-M465 PolarHBondContact O-N 3.47Å; M465-A467 VanDerWaalsContact C-N 3.34Å; M465-E468 PolarHBondContact O-N 3.4Å; M465-I469 WeakPolarHBondContact O-CG1 3.24Å; M465-I469 PolarHBondContact O-N 3.07Å; M465-I480 HydrophobicContact CB-CD1 4.14Å; M465-I480 HydrophobicContact CB-CG2 4.19Å; M465-I480 HydrophobicContact CE-CG2 3.79Å; M465-I480 HydrophobicContact SD-CG2 3.83Å; M465-V500 HydrophobicContact CE-CG1 3.86Å; M465-V500 HydrophobicContact SD-CG1 3.87Å; M465-I502 HydrophobicContact CE-CG2 3.48Å; M465-I502 VanDerWaalsContact CE-CG2 3.48Å
466T98.4Very high97.4Very high56 Ų5656.2 Ų56.234%0.34432%0.322SS..Hα-helixtrans-61.1-44.4176.9-62.50000110.8I462 Q463 A464 I469 A470 I477I462-T466 VanDerWaalsContact O-CB 3.25Å; I462-T466 WeakPolarHBondContact O-CB 2.99Å; I462-T466 PolarHBondContact O-N 3.36Å; I462-T466 PolarHBondContact O-OG1 3.09Å; Q463-T466 PolarHBondContact O-N 3.47Å; A464-T466 VanDerWaalsContact C-N 3.35Å; A464-T466 PolarHBondContact O-N 3.25Å; T466-I469 PolarHBondContact O-N 2.99Å; T466-A470 VanDerWaalsContact O-CB 3.26Å; T466-A470 WeakPolarHBondContact O-CB 3.38Å; T466-A470 PolarHBondContact O-N 3.42Å; T466-I477 HydrophobicContact CG2-CD1 3.79Å
467A97.9Very high97.5Very high65 Ų6555.6 Ų55.654%0.53732%0.323SS..Hα-helixtrans-64.6-42.3177.300000112.2Q463 A464 M465 A470 S471Q463-A467 PolarHBondContact O-N 3.39Å; A464-A467 PolarHBondContact O-N 2.88Å; M465-A467 VanDerWaalsContact C-N 3.34Å; A467-A470 PolarHBondContact O-N 3.46Å; A467-S471 PolarHBondContact O-N 3.49Å
468E98.1Very high97.4Very high51 Ų5154.5 Ų54.524%0.23832%0.317CS..Hα-helixtrans-61.6-45.6175.5178.658.2-154.800111.3V439 R442 A443 L446 A464 M465 A470 S471V439-E468 HydrophobicContact CG2-CG 4.27Å; V439-E468 WeakPolarHBondContact CG2-O 3.2Å; R442-E468 HydrophobicContact CB-CG 4.13Å; R442-E468 WeakPolarHBondContact CB-OE1 3.47Å; R442-E468 IonicContact CZ-OE1 2.96Å; R442-E468 IonicContact NE-OE1 3.12Å; R442-E468 PolarHBondContact NE-OE1 2.94Å; R442-E468 IonicContact NH2-OE1 2.74Å; A443-E468 HydrophobicContact CB-CB 4.26Å; A443-E468 HydrophobicContact CB-CG 4.04Å; L446-E468 HydrophobicContact CD2-CB 4.04Å; A464-E468 PolarHBondContact O-N 3.22Å; M465-E468 PolarHBondContact O-N 3.4Å; E468-A470 PolarHBondContact O-N 2.98Å; E468-S471 VanDerWaalsContact O-CB 3.29Å; E468-S471 WeakPolarHBondContact O-CB 3.44Å; E468-S471 PolarHBondContact O-N 2.85Å; E468-S471 PolarHBondContact O-OG 3.35Å
469I97.9Very high97.3Very high1 Ų155.4 Ų55.41%0.00532%0.321CS..Hα-helixtrans-66.3-39.2178.3-67.8162.2000111.7V439 A443 M465 T466 S471 E472 A475 I477 I480 V504V439-I469 HydrophobicContact CG1-CG1 4.45Å; V439-I469 HydrophobicContact CG1-CG2 4.43Å; V439-I469 HydrophobicContact CG2-CB 4.47Å; V439-I469 HydrophobicContact CG2-CG1 4.28Å; A443-I469 HydrophobicContact CB-CD1 3.86Å; A443-I469 HydrophobicContact CB-CG1 3.74Å; M465-I469 WeakPolarHBondContact O-CG1 3.24Å; M465-I469 PolarHBondContact O-N 3.07Å; T466-I469 PolarHBondContact O-N 2.99Å; I469-S471 PolarHBondContact O-N 3.24Å; I469-E472 PolarHBondContact O-N 3.16Å; I469-E472 VanDerWaalsContact O-N 3.16Å; I469-A475 HydrophobicContact CG2-CB 3.83Å; I469-I477 HydrophobicContact CB-CD1 4.07Å; I469-I477 HydrophobicContact CB-CG1 4.08Å; I469-I477 HydrophobicContact CD1-CG1 4.36Å; I469-I477 HydrophobicContact CG2-CD1 3.99Å; I469-I477 HydrophobicContact CG2-CG1 3.5Å; I469-I480 HydrophobicContact CD1-CD1 3.56Å; I469-I480 HydrophobicContact CD1-CG1 4.2Å; I469-V504 HydrophobicContact CD1-CG2 3.9Å; I469-V504 HydrophobicContact CG2-CG1 3.98Å; I469-V504 HydrophobicContact CG2-CG2 4.31Å
470A97Very high97.3Very high75 Ų7551 Ų5162%0.6230%0.3SS*.Hα-helixtrans-67-13.9176.900000113.9T466 A467 E468 E472T466-A470 VanDerWaalsContact O-CB 3.26Å; T466-A470 WeakPolarHBondContact O-CB 3.38Å; T466-A470 PolarHBondContact O-N 3.42Å; A467-A470 PolarHBondContact O-N 3.46Å; E468-A470 PolarHBondContact O-N 2.98Å; A470-E472 PolarHBondContact O-N 3.2Å
471S96.8Very high97.3Very high68 Ų6851 Ų5148%0.47629%0.294SS..THydrogen-bonded Turntrans-67.3-19.4172.877.10000113A467 E468 I469A467-S471 PolarHBondContact O-N 3.49Å; E468-S471 VanDerWaalsContact O-CB 3.29Å; E468-S471 WeakPolarHBondContact O-CB 3.44Å; E468-S471 PolarHBondContact O-N 2.85Å; E468-S471 PolarHBondContact O-OG 3.35Å; I469-S471 PolarHBondContact O-N 3.24Å
472E97.3Very high97.3Very high45 Ų4551.2 Ų51.221%0.2130%0.295CS..SBendtrans-103.2109.2-177.8-170.661.6-114.600110.7A436 V439 R442 I469 A470 L474 A475A436-E472 HydrophobicContact CB-CG 3.49Å; A436-E472 VanDerWaalsContact CB-CG 3.49Å; V439-E472 HydrophobicContact CB-CB 4.07Å; V439-E472 HydrophobicContact CB-CG 4.47Å; V439-E472 HydrophobicContact CG1-CB 4.13Å; V439-E472 HydrophobicContact CG1-CG 4.41Å; V439-E472 HydrophobicContact CG2-CB 4.07Å; R442-E472 IonicContact NH2-OE2 3.01Å; I469-E472 PolarHBondContact O-N 3.16Å; I469-E472 VanDerWaalsContact O-N 3.16Å; A470-E472 PolarHBondContact O-N 3.2Å; E472-L474 PolarHBondContact O-N 3.19Å; E472-L474 VanDerWaalsContact O-N 3.09Å; E472-A475 HydrophobicContact CB-CB 4.03Å; E472-A475 HydrophobicContact CG-CB 4.32Å; E472-A475 WeakPolarHBondContact O-CB 3.35Å; E472-A475 PolarHBondContact O-N 3.2Å
473P95.8Very high97.2Very high120 Ų12050.1 Ų50.178%0.77929%0.289SS*.THydrogen-bonded Turntrans-63.2-22.7-171.1-24.634.6000115.2A475P473-A475 VanDerWaalsContact C-N 3.3Å
474L96.7Very high97Very high72 Ų7246 Ų4638%0.37727%0.271SS..THydrogen-bonded Turntrans-82.1-10.1177.3-62.7-179000112.9E433 A436 E472 I506 G507E433-L474 HydrophobicContact CG-CD1 4.22Å; A436-L474 HydrophobicContact CB-CB 4.03Å; A436-L474 HydrophobicContact CB-CD1 4Å; E472-L474 PolarHBondContact O-N 3.19Å; E472-L474 VanDerWaalsContact O-N 3.09Å; L474-I506 HydrophobicContact CB-CG2 4.35Å; L474-I506 WeakPolarHBondContact O-CA 3.37Å; L474-G507 PolarHBondContact O-N 3.47Å
475A97.6Very high96.6Very high19 Ų1947.9 Ų47.916%0.15728%0.276CS..EExtended strand (participates in β ladder)trans-91134.7-176.200000112V439 I469 E472 P473 V504 Y505 I506V439-A475 HydrophobicContact CG1-CB 4.12Å; I469-A475 HydrophobicContact CG2-CB 3.83Å; E472-A475 HydrophobicContact CB-CB 4.03Å; E472-A475 HydrophobicContact CG-CB 4.32Å; E472-A475 WeakPolarHBondContact O-CB 3.35Å; E472-A475 PolarHBondContact O-N 3.2Å; P473-A475 VanDerWaalsContact C-N 3.3Å; A475-V504 HydrophobicContact CB-CG1 3.97Å; A475-Y505 CarbonylContact C-O 3.55Å; A475-Y505 WeakPolarHBondContact CA-O 3.44Å; A475-I506 HydrophobicContact CB-CD1 3.79Å
476K97.5Very high96Very high148 Ų14856.3 Ų56.364%0.64331%0.313SS*.EExtended strand (participates in β ladder)trans-131.5118.4170.6178-174.8175.8-173.70109.2D478 Y505K476-D478 PolarHBondContact O-N 2.6Å; K476-Y505 PolarHBondContact N-O 3.37Å; K476-Y505 PolarHBondContact O-N 3.47Å
477I97.5Very high95.5Very high53 Ų5357 Ų5727%0.27232%0.317SS..EExtended strand (participates in β ladder)trans-66.8132.4178.8-62.6161.7000109.5T466 I469 I480T466-I477 HydrophobicContact CG2-CD1 3.79Å; I469-I477 HydrophobicContact CB-CD1 4.07Å; I469-I477 HydrophobicContact CB-CG1 4.08Å; I469-I477 HydrophobicContact CD1-CG1 4.36Å; I469-I477 HydrophobicContact CG2-CD1 3.99Å; I469-I477 HydrophobicContact CG2-CG1 3.5Å; I477-I480 HydrophobicContact CD1-CD1 3.76Å; I477-I480 HydrophobicContact CG1-CD1 4.13Å; I477-I480 HydrophobicContact CG2-CD1 4.1Å; I477-I480 HydrophobicContact CG2-CG1 3.86Å
478D95.1Very high95.3Very high58 Ų5854 Ų5431%0.3129%0.292SS..EExtended strand (participates in β ladder)trans-92.8-54.2165.2-164.623.3000109.3K476 A503 Y505 R510K476-D478 PolarHBondContact O-N 2.6Å; D478-A503 HydrophobicContact CB-CB 3.91Å; D478-A503 WeakPolarHBondContact CB-O 3.41Å; D478-A503 PolarHBondContact N-O 3.32Å; D478-Y505 HydrophobicContact CB-CD2 4.12Å; D478-Y505 HydrophobicContact CB-CE2 3.73Å; D478-R510 IonicContact OD2-CZ 3.45Å; D478-R510 IonicContact OD2-NE 2.69Å; D478-R510 PolarHBondContact OD2-NE 3.34Å; D478-R510 IonicContact OD2-NH2 3.43Å; D478-R510 PolarHBondContact OD2-NH2 3.3Å
479Y96.2Very high95Very high24 Ų2456.2 Ų56.29%0.09430%0.302CS..EExtended strand (participates in β ladder)trans-152.1154.4168.167.2-103.5000112.1L354 E355 E481 P501 I502 A503L354-Y479 HydrophobicContact CB-CE1 4.36Å; L354-Y479 HydrophobicContact CB-CE2 4.36Å; L354-Y479 HydrophobicContact CD2-CD2 3.9Å; L354-Y479 HydrophobicContact CD2-CE2 3.79Å; E355-Y479 WeakPolarHBondContact OE1-CE1 3.46Å; E355-Y479 PolarHBondContact OE1-OH 3.13Å; E355-Y479 VanDerWaalsContact OE1-OH 3.07Å; Y479-E481 HydrophobicContact CD2-CG 4.33Å; Y479-P501 HydrophobicContact CE2-CB 4.02Å; Y479-P501 HydrophobicContact CE2-CG 4.24Å; Y479-I502 WeakPolarHBondContact O-CA 3.34Å; Y479-A503 HydrophobicContact CD1-CB 3.67Å; Y479-A503 HydrophobicContact CD2-CB 4.45Å; Y479-A503 HydrophobicContact CE1-CB 3.35Å; Y479-A503 HydrophobicContact CE2-CB 4.15Å; Y479-A503 HydrophobicContact CG-CB 4.22Å; Y479-A503 PolarHBondContact N-O 2.88Å; Y479-A503 PolarHBondContact O-N 3.42Å
480I97.1Very high94.8Very high11 Ų1162.6 Ų62.66%0.05633%0.33CS..EExtended strand (participates in β ladder)trans-136.7120.6164.2-59.3168.1000104.9I462 M465 I469 I477 I502I462-I480 HydrophobicContact CG1-CG2 4.25Å; I462-I480 HydrophobicContact CG2-CB 4.43Å; I462-I480 HydrophobicContact CG2-CG2 4.27Å; M465-I480 HydrophobicContact CB-CD1 4.14Å; M465-I480 HydrophobicContact CB-CG2 4.19Å; M465-I480 HydrophobicContact CE-CG2 3.79Å; M465-I480 HydrophobicContact SD-CG2 3.83Å; I469-I480 HydrophobicContact CD1-CD1 3.56Å; I469-I480 HydrophobicContact CD1-CG1 4.2Å; I477-I480 HydrophobicContact CD1-CD1 3.76Å; I477-I480 HydrophobicContact CG1-CD1 4.13Å; I477-I480 HydrophobicContact CG2-CD1 4.1Å; I477-I480 HydrophobicContact CG2-CG1 3.86Å; I480-I502 HydrophobicContact CB-CG2 4.14Å; I480-I502 HydrophobicContact CG1-CB 4.43Å; I480-I502 HydrophobicContact CG1-CG2 3.87Å; I480-I502 HydrophobicContact CG2-CG2 3.85Å
481E96.8Very high94.6Very high40 Ų4060 Ų6019%0.18731%0.307CS..  trans-133.9160-178.5-65.2-69.417600110L354 Y479 V483 K490 P501L354-E481 HydrophobicContact CD2-CB 3.66Å; L354-E481 HydrophobicContact CD2-CG 3.6Å; Y479-E481 HydrophobicContact CD2-CG 4.33Å; E481-V483 HydrophobicContact CB-CG1 4.1Å; E481-K490 WeakPolarHBondContact OE1-CE 3.49Å; E481-K490 IonicContact OE1-NZ 3.21Å; E481-K490 PolarHBondContact OE1-NZ 2.97Å; E481-K490 WeakPolarHBondContact OE2-CD 3.44Å; E481-K490 WeakPolarHBondContact OE2-CE 3.46Å; E481-K490 IonicContact OE2-NZ 3.74Å; E481-K490 PolarHBondContact OE2-NZ 3.34Å; E481-P501 PolarHBondContact N-O 3.18Å; E481-P501 VanDerWaalsContact O-CD 3.28Å; E481-P501 WeakPolarHBondContact O-CD 3.26Å
482I97.3Very high94.5Very high3 Ų363.3 Ų63.32%0.01532%0.319CS..  trans-125.2116.8168.1-62.4-178.3000106.3L461 I462 V491 I494 I498 V500L461-I482 HydrophobicContact CB-CD1 3.64Å; L461-I482 HydrophobicContact CD1-CD1 3.71Å; L461-I482 HydrophobicContact CG-CD1 4.32Å; I462-I482 HydrophobicContact CD1-CG1 4.36Å; I462-I482 HydrophobicContact CG1-CD1 4.18Å; I462-I482 HydrophobicContact CG1-CG1 4.09Å; I482-V491 PolarHBondContact O-N 3.34Å; I482-V491 VanDerWaalsContact O-N 3.09Å; I482-I494 HydrophobicContact CD1-CD1 4.23Å; I482-I494 HydrophobicContact CG2-CD1 4.06Å; I482-I494 HydrophobicContact CG2-CG1 4.15Å; I482-I498 HydrophobicContact CG2-CB 4.23Å; I482-I498 HydrophobicContact CG2-CD1 3.66Å; I482-I498 HydrophobicContact CG2-CG2 4.21Å; I482-V500 HydrophobicContact CG1-CG1 4.16Å; I482-V500 HydrophobicContact CG1-CG2 4.07Å
483V95.7Very high94.5Very high2 Ų265.2 Ų65.21%0.01233%0.334CS..EExtended strand (participates in β ladder)trans-129.4154.1-171-58.50000110.9E481 Q485 L488 Q489 I498 L499 P501E481-V483 HydrophobicContact CB-CG1 4.1Å; V483-Q485 PolarHBondContact O-N 3.38Å; V483-L488 WeakPolarHBondContact CG1-O 3.28Å; V483-L488 HydrophobicContact CG2-CB 4.43Å; V483-L488 HydrophobicContact CG2-CD2 3.91Å; V483-Q489 CarbonylContact C-O 3.51Å; V483-Q489 WeakPolarHBondContact CA-O 3.47Å; V483-Q489 WeakPolarHBondContact CB-O 3.4Å; V483-I498 CarbonylContact O-C 3.07Å; V483-I498 VanDerWaalsContact O-CA 3.22Å; V483-I498 WeakPolarHBondContact O-CA 3.34Å; V483-I498 WeakPolarHBondContact O-CB 3.4Å; V483-L499 HydrophobicContact CG2-CB 3.97Å; V483-L499 HydrophobicContact CG2-CD2 4.32Å; V483-L499 HydrophobicContact CG2-CG 4.45Å; V483-L499 PolarHBondContact N-O 3Å; V483-L499 PolarHBondContact O-N 2.82Å; V483-P501 HydrophobicContact CG2-CG 4.44Å
484N93.8Very high94.4Very high34 Ų3459.9 Ų59.918%0.18230%0.299CS..EExtended strand (participates in β ladder)trans-61.9134.5170.4178.3-85.5000109.5K486 T487 L488 Q489 V491N484-K486 PolarHBondContact O-N 3.49Å; N484-K486 VanDerWaalsContact O-N 3.15Å; N484-K486 PolarHBondContact OD1-N 3.42Å; N484-T487 WeakPolarHBondContact CB-OG1 3.25Å; N484-T487 PolarHBondContact OD1-N 2.94Å; N484-T487 VanDerWaalsContact OD1-N 3.11Å; N484-L488 WeakPolarHBondContact O-CA 3.39Å; N484-L488 PolarHBondContact O-N 3.03Å; N484-Q489 PolarHBondContact N-O 3.29Å; N484-V491 HydrophobicContact CB-CG2 3.9Å
485Q90.7Very high94.2Very high61 Ų6162.7 Ų62.729%0.28531%0.314SS..THydrogen-bonded Turntrans-57.7-33.6-174.4-174.9-179.616.600113.7V483 A497 Y516V483-Q485 PolarHBondContact O-N 3.38Å; Q485-A497 HydrophobicContact CB-CB 4.31Å; Q485-A497 WeakPolarHBondContact CB-O 3.33Å; Q485-A497 PolarHBondContact N-O 2.9Å; Q485-Y516 HydrophobicContact CG-CD1 3.6Å; Q485-Y516 HydrophobicContact CG-CE1 3.61Å
486K85.6Confident93.8Very high177 Ų17764.2 Ų64.277%0.7732%0.323SS*.THydrogen-bonded Turntrans-92.4-43.5-174.3-65.4-179.1-179174.60112.6N484N484-K486 PolarHBondContact O-N 3.49Å; N484-K486 VanDerWaalsContact O-N 3.15Å; N484-K486 PolarHBondContact OD1-N 3.42Å
487T88.1Confident93.7Very high69 Ų6958 Ų5842%0.42330%0.3SS..THydrogen-bonded Turntrans-94.7-14.9-173670000113.6N484 Q489N484-T487 WeakPolarHBondContact CB-OG1 3.25Å; N484-T487 PolarHBondContact OD1-N 2.94Å; N484-T487 VanDerWaalsContact OD1-N 3.11Å; T487-Q489 PolarHBondContact O-N 3.35Å; T487-Q489 WeakPolarHBondContact OG1-CB 3.29Å; T487-Q489 PolarHBondContact OG1-N 2.88Å
488L92.5Very high93.7Very high2 Ų255.5 Ų55.51%0.0129%0.287CS..  trans54.416.9-170.5-54-175.7000114.3V350 V353 Q390 A393 V483 N484 L499V350-L488 HydrophobicContact CB-CD1 4.02Å; V350-L488 HydrophobicContact CG1-CD1 4.24Å; V350-L488 HydrophobicContact CG1-CG 4.33Å; V353-L488 HydrophobicContact CG2-CB 4.14Å; Q390-L488 HydrophobicContact CB-CD1 4.19Å; Q390-L488 HydrophobicContact CG-CD1 3.69Å; A393-L488 HydrophobicContact CB-CD1 4.04Å; V483-L488 WeakPolarHBondContact CG1-O 3.28Å; V483-L488 HydrophobicContact CG2-CB 4.43Å; V483-L488 HydrophobicContact CG2-CD2 3.91Å; N484-L488 WeakPolarHBondContact O-CA 3.39Å; N484-L488 PolarHBondContact O-N 3.03Å; L488-L499 HydrophobicContact CD2-CD2 3.87Å
489Q91.9Very high93.7Very high99 Ų9952.9 Ų52.946%0.46327%0.273SS..  trans-78.4144.7172.3-62.1-58.6-49.600110V483 N484 T487V483-Q489 CarbonylContact C-O 3.51Å; V483-Q489 WeakPolarHBondContact CA-O 3.47Å; V483-Q489 WeakPolarHBondContact CB-O 3.4Å; N484-Q489 PolarHBondContact N-O 3.29Å; T487-Q489 PolarHBondContact O-N 3.35Å; T487-Q489 WeakPolarHBondContact OG1-CB 3.29Å; T487-Q489 PolarHBondContact OG1-N 2.88Å
490K93.7Very high93.8Very high134 Ų13451.8 Ų51.858%0.58327%0.269SS*.BIsolated β-bridgetrans-59.4143.7178-60.2-169.1-178.3-145.80110.9E481E481-K490 WeakPolarHBondContact OE1-CE 3.49Å; E481-K490 IonicContact OE1-NZ 3.21Å; E481-K490 PolarHBondContact OE1-NZ 2.97Å; E481-K490 WeakPolarHBondContact OE2-CD 3.44Å; E481-K490 WeakPolarHBondContact OE2-CE 3.46Å; E481-K490 IonicContact OE2-NZ 3.74Å; E481-K490 PolarHBondContact OE2-NZ 3.34Å
491V93.7Very high93.8Very high22 Ų2251.6 Ų51.613%0.13327%0.268CS..  trans-121.2125.8178.7175.10000108.1S458 I482 N484 T493 I498S458-V491 WeakPolarHBondContact CB-O 3.46Å; S458-V491 PolarHBondContact OG-O 3.49Å; I482-V491 PolarHBondContact O-N 3.34Å; I482-V491 VanDerWaalsContact O-N 3.09Å; N484-V491 HydrophobicContact CB-CG2 3.9Å; V491-T493 WeakPolarHBondContact CG1-O 3.27Å; V491-I498 HydrophobicContact CG2-CG2 4.49Å
492D94.8Very high93.9Very high136 Ų13649.7 Ų49.773%0.72726%0.259SS*.SBendtrans-82.7-43.1178-67.9-30.9000112.1S458S458-D492 PolarHBondContact N-O 3.04Å; S458-D492 PolarHBondContact OG-O 2.91Å
493T95.9Very high93.8Very high86 Ų8649.6 Ų49.653%0.52826%0.259SS..BIsolated β-bridgetrans-118.8122.8176.8-55.30000109.3V491 D495V491-T493 WeakPolarHBondContact CG1-O 3.27Å; T493-D495 PolarHBondContact O-N 3.16Å
494I94.7Very high93.9Very high8 Ų849.5 Ų49.54%0.04126%0.258CS..  trans-80105-176.5-58.2165.5000108.1L451 R456 S458 L461 I482 I498L451-I494 HydrophobicContact CD2-CD1 3.66Å; L451-I494 HydrophobicContact CD2-CG2 4.4Å; R456-I494 HydrophobicContact CB-CB 4.47Å; R456-I494 VanDerWaalsContact CD-O 3.27Å; R456-I494 WeakPolarHBondContact CD-O 3.29Å; R456-I494 WeakPolarHBondContact O-CG1 3.2Å; R456-I494 PolarHBondContact O-N 3.02Å; S458-I494 WeakPolarHBondContact OG-CG1 3.22Å; L461-I494 HydrophobicContact CD1-CD1 3.44Å; L461-I494 VanDerWaalsContact CD1-CD1 3.44Å; I482-I494 HydrophobicContact CD1-CD1 4.23Å; I482-I494 HydrophobicContact CG2-CD1 4.06Å; I482-I494 HydrophobicContact CG2-CG1 4.15Å; I494-I498 HydrophobicContact CD1-CD1 3.76Å; I494-I498 HydrophobicContact CG1-CD1 4.06Å; I494-I498 HydrophobicContact CG2-CD1 3.74Å; I494-I498 HydrophobicContact CG2-CG1 4.17Å; I494-I498 HydrophobicContact CG2-CG2 4.05Å
495D91.4Very high94Very high131 Ų13151.4 Ų51.470%0.70126%0.263SS*.  trans-130.66.4-179.562.13.1000112.4T493T493-D495 PolarHBondContact O-N 3.16Å
496S90.5Very high94.3Very high50 Ų5048.5 Ų48.535%0.3525%0.25SC..SBendtrans-153.4173.2-17251.30000110.1I498S496-I498 PolarHBondContact O-N 2.9Å
497A94.9Very high94.7Very high19 Ų1942 Ų4216%0.15723%0.233CC..  trans-62.2125.7178.400000111.6Q485 W517 E518Q485-A497 HydrophobicContact CB-CB 4.31Å; Q485-A497 WeakPolarHBondContact CB-O 3.33Å; Q485-A497 PolarHBondContact N-O 2.9Å; A497-W517 WeakPolarHBondContact CA-O 3.44Å; A497-E518 HydrophobicContact CB-CB 4.15Å; A497-E518 HydrophobicContact CB-CG 3.98Å
498I96.5Very high94.9Very high0 Ų048.3 Ų48.30%025%0.254CS..EExtended strand (participates in β ladder)trans-120.5160.9-176.758.6165000112.2L451 I482 V483 V491 I494 S496 V500 Y516 W517L451-I498 HydrophobicContact CD1-CD1 4.42Å; I482-I498 HydrophobicContact CG2-CB 4.23Å; I482-I498 HydrophobicContact CG2-CD1 3.66Å; I482-I498 HydrophobicContact CG2-CG2 4.21Å; V483-I498 CarbonylContact O-C 3.07Å; V483-I498 VanDerWaalsContact O-CA 3.22Å; V483-I498 WeakPolarHBondContact O-CA 3.34Å; V483-I498 WeakPolarHBondContact O-CB 3.4Å; V491-I498 HydrophobicContact CG2-CG2 4.49Å; I494-I498 HydrophobicContact CD1-CD1 3.76Å; I494-I498 HydrophobicContact CG1-CD1 4.06Å; I494-I498 HydrophobicContact CG2-CD1 3.74Å; I494-I498 HydrophobicContact CG2-CG1 4.17Å; I494-I498 HydrophobicContact CG2-CG2 4.05Å; S496-I498 PolarHBondContact O-N 2.9Å; I498-V500 HydrophobicContact CD1-CG2 3.96Å; I498-Y516 WeakPolarHBondContact O-CA 3.42Å; I498-W517 HydrophobicContact CD1-CB 4.19Å; I498-W517 HydrophobicContact CG1-CB 3.79Å; I498-W517 HydrophobicContact CG1-CG 4.42Å; I498-W517 PolarHBondContact N-O 3.39Å; I498-W517 PolarHBondContact O-N 3.34Å
499L96.9Very high94.9Very high2 Ų248.8 Ų48.81%0.0126%0.258CS..EExtended strand (participates in β ladder)trans-116.4136.316417470.4000107.8A389 V483 L488 P501 N514 Y516A389-L499 HydrophobicContact CB-CD1 3.82Å; A389-L499 HydrophobicContact CB-CD2 3.66Å; A389-L499 HydrophobicContact CB-CG 4.41Å; V483-L499 HydrophobicContact CG2-CB 3.97Å; V483-L499 HydrophobicContact CG2-CD2 4.32Å; V483-L499 HydrophobicContact CG2-CG 4.45Å; V483-L499 PolarHBondContact N-O 3Å; V483-L499 PolarHBondContact O-N 2.82Å; L488-L499 HydrophobicContact CD2-CD2 3.87Å; L499-P501 HydrophobicContact CD2-CB 4.42Å; L499-P501 HydrophobicContact CD2-CG 4.36Å; L499-P501 HydrophobicContact CG-CB 4.43Å; L499-P501 HydrophobicContact CG-CG 4.35Å; L499-P501 VanDerWaalsContact O-CD 3.25Å; L499-P501 WeakPolarHBondContact O-CD 3.4Å; L499-N514 HydrophobicContact CD1-CB 3.86Å; L499-N514 WeakPolarHBondContact CD1-OD1 3.31Å; L499-Y516 HydrophobicContact CB-CD1 4.26Å; L499-Y516 HydrophobicContact CB-CE1 4.27Å; L499-Y516 HydrophobicContact CD1-CD1 3.88Å; L499-Y516 HydrophobicContact CD1-CD2 4.38Å; L499-Y516 HydrophobicContact CD1-CE1 3.7Å; L499-Y516 HydrophobicContact CD1-CE2 4.18Å; L499-Y516 HydrophobicContact CD1-CG 4.25Å; L499-Y516 HydrophobicContact CG-CE1 4.4Å
500V97.5Very high94.9Very high1 Ų145 Ų451%0.00624%0.239CC..EExtended strand (participates in β ladder)trans-11386.8173.3-174.10000108.9L444 M465 I482 I498 N514 F515L444-V500 HydrophobicContact CD2-CG1 4.27Å; M465-V500 HydrophobicContact CE-CG1 3.86Å; M465-V500 HydrophobicContact SD-CG1 3.87Å; I482-V500 HydrophobicContact CG1-CG1 4.16Å; I482-V500 HydrophobicContact CG1-CG2 4.07Å; I498-V500 HydrophobicContact CD1-CG2 3.96Å; V500-N514 VanDerWaalsContact O-CA 3.22Å; V500-N514 WeakPolarHBondContact O-CA 3.32Å; V500-N514 WeakPolarHBondContact O-CB 3.4Å; V500-F515 HydrophobicContact CB-CD1 3.98Å; V500-F515 HydrophobicContact CB-CE1 3.53Å; V500-F515 HydrophobicContact CB-CZ 3.87Å; V500-F515 HydrophobicContact CG1-CE1 3.86Å; V500-F515 HydrophobicContact CG1-CZ 4.39Å; V500-F515 HydrophobicContact CG2-CD1 4.48Å; V500-F515 HydrophobicContact CG2-CE1 3.77Å; V500-F515 HydrophobicContact CG2-CE2 4.09Å; V500-F515 HydrophobicContact CG2-CZ 3.53Å; V500-F515 PolarHBondContact N-O 3.37Å; V500-F515 PolarHBondContact O-N 2.9Å
501P97.2Very high95Very high8 Ų838.9 Ų38.95%0.05221%0.213CC..EExtended strand (participates in β ladder)trans-88.3140.817835.7-32.7000111.2L354 Y479 E481 V483 L499 N514L354-P501 HydrophobicContact CD1-CB 4.38Å; L354-P501 HydrophobicContact CD1-CG 3.63Å; L354-P501 HydrophobicContact CD2-CG 3.72Å; L354-P501 HydrophobicContact CG-CG 4.31Å; Y479-P501 HydrophobicContact CE2-CB 4.02Å; Y479-P501 HydrophobicContact CE2-CG 4.24Å; E481-P501 PolarHBondContact N-O 3.18Å; E481-P501 VanDerWaalsContact O-CD 3.28Å; E481-P501 WeakPolarHBondContact O-CD 3.26Å; V483-P501 HydrophobicContact CG2-CG 4.44Å; L499-P501 HydrophobicContact CD2-CB 4.42Å; L499-P501 HydrophobicContact CD2-CG 4.36Å; L499-P501 HydrophobicContact CG-CB 4.43Å; L499-P501 HydrophobicContact CG-CG 4.35Å; L499-P501 VanDerWaalsContact O-CD 3.25Å; L499-P501 WeakPolarHBondContact O-CD 3.4Å; P501-N514 HydrophobicContact CB-CB 4.29Å
502I97.7Very high95.1Very high0 Ų038.9 Ų38.90%021%0.212CC..EExtended strand (participates in β ladder)trans-129.2144.9173.463172.9000111.2L440 L444 M465 Y479 I480 I512 D513L440-I502 HydrophobicContact CB-CD1 3.8Å; L440-I502 HydrophobicContact CD2-CD1 4.15Å; L440-I502 HydrophobicContact CD2-CG1 4.47Å; L440-I502 HydrophobicContact CG-CD1 3.89Å; L444-I502 HydrophobicContact CD1-CD1 4.06Å; L444-I502 HydrophobicContact CD1-CG1 4.39Å; L444-I502 HydrophobicContact CD2-CD1 3.88Å; L444-I502 HydrophobicContact CD2-CG1 4.08Å; L444-I502 HydrophobicContact CD2-CG2 4.05Å; L444-I502 HydrophobicContact CG-CD1 3.77Å; L444-I502 HydrophobicContact CG-CG1 4.37Å; M465-I502 HydrophobicContact CE-CG2 3.48Å; M465-I502 VanDerWaalsContact CE-CG2 3.48Å; Y479-I502 WeakPolarHBondContact O-CA 3.34Å; I480-I502 HydrophobicContact CB-CG2 4.14Å; I480-I502 HydrophobicContact CG1-CB 4.43Å; I480-I502 HydrophobicContact CG1-CG2 3.87Å; I480-I502 HydrophobicContact CG2-CG2 3.85Å; I502-I512 VanDerWaalsContact O-CA 3.31Å; I502-I512 WeakPolarHBondContact O-CA 3.44Å; I502-D513 HydrophobicContact CD1-CB 4.33Å; I502-D513 HydrophobicContact CG1-CB 4.08Å; I502-D513 WeakPolarHBondContact CG1-O 3.17Å; I502-D513 PolarHBondContact N-O 2.94Å; I502-D513 PolarHBondContact O-N 3.37Å; I502-D513 VanDerWaalsContact O-N 3.11Å
503A96.7Very high95.2Very high0 Ų032.6 Ų32.60%018%0.178CC..EExtended strand (participates in β ladder)trans-129.6127.6167.400000109.4D478 Y479 R510 L511 I512D478-A503 HydrophobicContact CB-CB 3.91Å; D478-A503 WeakPolarHBondContact CB-O 3.41Å; D478-A503 PolarHBondContact N-O 3.32Å; Y479-A503 HydrophobicContact CD1-CB 3.67Å; Y479-A503 HydrophobicContact CD2-CB 4.45Å; Y479-A503 HydrophobicContact CE1-CB 3.35Å; Y479-A503 HydrophobicContact CE2-CB 4.15Å; Y479-A503 HydrophobicContact CG-CB 4.22Å; Y479-A503 PolarHBondContact N-O 2.88Å; Y479-A503 PolarHBondContact O-N 3.42Å; A503-R510 VanDerWaalsContact CB-NH2 3.33Å; A503-L511 WeakPolarHBondContact CA-O 3.23Å; A503-I512 HydrophobicContact CB-CG2 3.96Å
504V97.1Very high95.2Very high0 Ų028.6 Ų28.60%015%0.154CC..EExtended strand (participates in β ladder)trans-139.4132.4-174.6-177.30000108.8L440 I469 A475 I506 L511L440-V504 HydrophobicContact CD1-CB 3.92Å; L440-V504 HydrophobicContact CD1-CG1 4.16Å; L440-V504 HydrophobicContact CD1-CG2 4.34Å; L440-V504 HydrophobicContact CD2-CB 4.22Å; L440-V504 HydrophobicContact CD2-CG2 4.38Å; L440-V504 HydrophobicContact CG-CB 4.07Å; L440-V504 HydrophobicContact CG-CG2 4.04Å; I469-V504 HydrophobicContact CD1-CG2 3.9Å; I469-V504 HydrophobicContact CG2-CG1 3.98Å; I469-V504 HydrophobicContact CG2-CG2 4.31Å; A475-V504 HydrophobicContact CB-CG1 3.97Å; V504-I506 HydrophobicContact CG1-CD1 4.03Å; V504-L511 PolarHBondContact N-O 2.71Å; V504-L511 PolarHBondContact O-N 3.19Å
505Y96.5Very high95.3Very high75 Ų7528.9 Ų28.929%0.29415%0.154SC..EExtended strand (participates in β ladder)trans-82.3130.3167.6-66.2-93.4000109.4A475 K476 D478 T509 R510A475-Y505 CarbonylContact C-O 3.55Å; A475-Y505 WeakPolarHBondContact CA-O 3.44Å; K476-Y505 PolarHBondContact N-O 3.37Å; K476-Y505 PolarHBondContact O-N 3.47Å; D478-Y505 HydrophobicContact CB-CD2 4.12Å; D478-Y505 HydrophobicContact CB-CE2 3.73Å; Y505-T509 CarbonylContact C-O 3.59Å; Y505-T509 WeakPolarHBondContact CA-O 3.22Å; Y505-R510 HydrophobicContact CD1-CB 3.75Å; Y505-R510 HydrophobicContact CD1-CG 4.11Å; Y505-R510 HydrophobicContact CD2-CG 4.48Å; Y505-R510 HydrophobicContact CE1-CB 3.57Å; Y505-R510 HydrophobicContact CE1-CG 3.78Å; Y505-R510 HydrophobicContact CE2-CG 4.18Å; Y505-R510 HydrophobicContact CG-CB 4.45Å; Y505-R510 HydrophobicContact CG-CG 4.45Å; Y505-R510 WeakPolarHBondContact OH-CD 3.37Å
506I97.3Very high95.5Very high0 Ų025.5 Ų25.50%013%0.132CC..EExtended strand (participates in β ladder)trans-112.3107.9166.8-53.5-64.6000107.1L429 E433 A436 A437 V439 L440 L474 A475 V504 K508 T509 L511L429-I506 HydrophobicContact CD2-CB 4.15Å; L429-I506 HydrophobicContact CD2-CG2 4.29Å; E433-I506 HydrophobicContact CB-CG2 3.83Å; E433-I506 HydrophobicContact CG-CG2 4.18Å; E433-I506 VanDerWaalsContact O-CG2 3.3Å; E433-I506 WeakPolarHBondContact O-CG2 3.46Å; A436-I506 HydrophobicContact CB-CG2 3.92Å; A437-I506 HydrophobicContact CB-CG1 4.06Å; V439-I506 HydrophobicContact CG1-CD1 4.35Å; L440-I506 HydrophobicContact CD1-CD1 4.06Å; L440-I506 HydrophobicContact CD1-CG1 4.3Å; L474-I506 HydrophobicContact CB-CG2 4.35Å; L474-I506 WeakPolarHBondContact O-CA 3.37Å; A475-I506 HydrophobicContact CB-CD1 3.79Å; V504-I506 HydrophobicContact CG1-CD1 4.03Å; I506-K508 PolarHBondContact O-N 2.76Å; I506-K508 VanDerWaalsContact O-N 3.12Å; I506-T509 PolarHBondContact N-O 2.89Å; I506-T509 PolarHBondContact O-N 2.89Å; I506-L511 HydrophobicContact CG1-CD1 3.97Å
507G93.9Very high95.8Very high40 Ų4025.6 Ų25.641%0.41213%0.125SC..THydrogen-bonded Turntrans59.8-113.9-164.600000110.5L474L474-G507 PolarHBondContact O-N 3.47Å
508K91.2Very high95.5Very high201 Ų20131.6 Ų31.687%0.87415%0.15SC*.THydrogen-bonded Turntrans-98-10.9175.1-64.9-177.4-179.3178.90113.8I506I506-K508 PolarHBondContact O-N 2.76Å; I506-K508 VanDerWaalsContact O-N 3.12Å
509T92.6Very high94.3Very high13 Ų1341 Ų418%0.0819%0.194CC..EExtended strand (participates in β ladder)trans-88.9117.8-171.4-60.70000110.4R425 Y428 L429 Y505 I506 L511R425-T509 HydrophobicContact CB-CG2 4.08Å; Y428-T509 WeakPolarHBondContact CB-OG1 3.31Å; Y428-T509 HydrophobicContact CD2-CG2 4.1Å; L429-T509 HydrophobicContact CD2-CG2 3.82Å; L429-T509 HydrophobicContact CG-CG2 4.37Å; Y505-T509 CarbonylContact C-O 3.59Å; Y505-T509 WeakPolarHBondContact CA-O 3.22Å; I506-T509 PolarHBondContact N-O 2.89Å; I506-T509 PolarHBondContact O-N 2.89Å; T509-L511 HydrophobicContact CG2-CD2 3.81Å; T509-L511 HydrophobicContact CG2-CG 4.21Å
510R92.9Very high94.2Very high18 Ų1843 Ų437%0.06820%0.203CC..EExtended strand (participates in β ladder)trans-85.5115.6176.6-165.6-177.5179-87.20.4111E355 R425 D478 A503 Y505E355-R510 IonicContact OE1-CZ 3.8Å; E355-R510 IonicContact OE1-NH1 2.86Å; E355-R510 PolarHBondContact OE1-NH1 3.39Å; E355-R510 IonicContact OE1-NH2 2.64Å; E355-R510 PolarHBondContact OE1-NH2 3.44Å; E355-R510 IonicContact OE2-CZ 3.91Å; E355-R510 IonicContact OE2-NH1 3.7Å; E355-R510 PolarHBondContact OE2-NH1 2.99Å; E355-R510 IonicContact OE2-NH2 2.79Å; E355-R510 PolarHBondContact OE2-NH2 3.18Å; R425-R510 VanDerWaalsContact CD-O 3.26Å; R425-R510 WeakPolarHBondContact CD-O 3.32Å; R425-R510 PolarHBondContact NH1-O 2.86Å; R425-R510 VanDerWaalsContact NH1-O 3.09Å; D478-R510 IonicContact OD2-CZ 3.45Å; D478-R510 IonicContact OD2-NE 2.69Å; D478-R510 PolarHBondContact OD2-NE 3.34Å; D478-R510 IonicContact OD2-NH2 3.43Å; D478-R510 PolarHBondContact OD2-NH2 3.3Å; A503-R510 VanDerWaalsContact CB-NH2 3.33Å; Y505-R510 HydrophobicContact CD1-CB 3.75Å; Y505-R510 HydrophobicContact CD1-CG 4.11Å; Y505-R510 HydrophobicContact CD2-CG 4.48Å; Y505-R510 HydrophobicContact CE1-CB 3.57Å; Y505-R510 HydrophobicContact CE1-CG 3.78Å; Y505-R510 HydrophobicContact CE2-CG 4.18Å; Y505-R510 HydrophobicContact CG-CB 4.45Å; Y505-R510 HydrophobicContact CG-CG 4.45Å; Y505-R510 WeakPolarHBondContact OH-CD 3.37Å
511L95.2Very high94Very high6 Ų645.2 Ų45.23%0.03121%0.214CC..EExtended strand (participates in β ladder)trans-110.3148.9178.3-58176.2000110.2R425 L429 A437 L440 A503 V504 I506 T509R425-L511 HydrophobicContact CB-CD2 4.01Å; L429-L511 HydrophobicContact CD1-CD1 3.96Å; L429-L511 HydrophobicContact CD2-CD1 4.4Å; A437-L511 HydrophobicContact CB-CD1 3.67Å; L440-L511 HydrophobicContact CD2-CB 3.94Å; A503-L511 WeakPolarHBondContact CA-O 3.23Å; V504-L511 PolarHBondContact N-O 2.71Å; V504-L511 PolarHBondContact O-N 3.19Å; I506-L511 HydrophobicContact CG1-CD1 3.97Å; T509-L511 HydrophobicContact CG2-CD2 3.81Å; T509-L511 HydrophobicContact CG2-CG 4.21Å
512I95.4Very high93.8Very high23 Ų2347.3 Ų47.312%0.11822%0.223CC..EExtended strand (participates in β ladder)trans-126.6147.2174.766.2173.3000109.5E355 D388 I502 A503E355-I512 WeakPolarHBondContact OE1-CG2 3.49Å; D388-I512 WeakPolarHBondContact OD1-CD1 3.36Å; I502-I512 VanDerWaalsContact O-CA 3.31Å; I502-I512 WeakPolarHBondContact O-CA 3.44Å; A503-I512 HydrophobicContact CB-CG2 3.96Å
513D96.9Very high93.6Very high3 Ų350.1 Ų50.12%0.01624%0.236CC..EExtended strand (participates in β ladder)trans-152.5163.7174-157-13.9000109R415 L440 L444 I502R415-D513 IonicContact CZ-OD1 3.84Å; R415-D513 IonicContact CZ-OD2 2.91Å; R415-D513 IonicContact NH1-OD1 3.75Å; R415-D513 PolarHBondContact NH1-OD1 3.04Å; R415-D513 IonicContact NH1-OD2 3.76Å; R415-D513 PolarHBondContact NH1-OD2 3.01Å; R415-D513 IonicContact NH2-OD1 2.82Å; R415-D513 PolarHBondContact NH2-OD1 3.3Å; R415-D513 IonicContact NH2-OD2 3.72Å; L440-D513 HydrophobicContact CD2-CB 4.19Å; L444-D513 HydrophobicContact CD1-CB 3.71Å; I502-D513 HydrophobicContact CD1-CB 4.33Å; I502-D513 HydrophobicContact CG1-CB 4.08Å; I502-D513 WeakPolarHBondContact CG1-O 3.17Å; I502-D513 PolarHBondContact N-O 2.94Å; I502-D513 PolarHBondContact O-N 3.37Å; I502-D513 VanDerWaalsContact O-N 3.11Å
514N97.3Very high93.4Very high3 Ų353.2 Ų53.22%0.01625%0.25CS..EExtended strand (participates in β ladder)trans-161.4170.9176.667.582.3000112.3Q386 K387 I413 R415 L499 V500 P501Q386-N514 PolarHBondContact O-ND2 2.74Å; Q386-N514 PolarHBondContact O-OD1 2.96Å; K387-N514 PolarHBondContact O-ND2 2.89Å; I413-N514 VanDerWaalsContact CD1-O 3.31Å; I413-N514 WeakPolarHBondContact CD1-O 3.42Å; R415-N514 PolarHBondContact NH2-O 3.19Å; L499-N514 HydrophobicContact CD1-CB 3.86Å; L499-N514 WeakPolarHBondContact CD1-OD1 3.31Å; V500-N514 VanDerWaalsContact O-CA 3.22Å; V500-N514 WeakPolarHBondContact O-CA 3.32Å; V500-N514 WeakPolarHBondContact O-CB 3.4Å; P501-N514 HydrophobicContact CB-CB 4.29Å
515F96.6Very high93.2Very high13 Ų1356.7 Ų56.76%0.05727%0.267CS..EExtended strand (participates in β ladder)trans-143.8155.7159.170.9-82.9000110.9L444 A447 Q448 L451 V500 W517L444-F515 HydrophobicContact CB-CD1 3.98Å; L444-F515 HydrophobicContact CB-CE1 4.27Å; L444-F515 HydrophobicContact CD2-CD1 3.72Å; L444-F515 HydrophobicContact CD2-CE1 3.92Å; L444-F515 HydrophobicContact CG-CD1 4.3Å; A447-F515 HydrophobicContact CB-CE1 4.01Å; A447-F515 HydrophobicContact CB-CZ 3.98Å; Q448-F515 HydrophobicContact CG-CD1 4.11Å; Q448-F515 HydrophobicContact CG-CD2 3.64Å; Q448-F515 HydrophobicContact CG-CE1 3.95Å; Q448-F515 HydrophobicContact CG-CE2 3.44Å; Q448-F515 VanDerWaalsContact CG-CE2 3.44Å; Q448-F515 HydrophobicContact CG-CG 3.99Å; Q448-F515 HydrophobicContact CG-CZ 3.62Å; L451-F515 HydrophobicContact CD1-CE2 3.75Å; L451-F515 HydrophobicContact CD1-CZ 3.71Å; V500-F515 HydrophobicContact CB-CD1 3.98Å; V500-F515 HydrophobicContact CB-CE1 3.53Å; V500-F515 HydrophobicContact CB-CZ 3.87Å; V500-F515 HydrophobicContact CG1-CE1 3.86Å; V500-F515 HydrophobicContact CG1-CZ 4.39Å; V500-F515 HydrophobicContact CG2-CD1 4.48Å; V500-F515 HydrophobicContact CG2-CE1 3.77Å; V500-F515 HydrophobicContact CG2-CE2 4.09Å; V500-F515 HydrophobicContact CG2-CZ 3.53Å; V500-F515 PolarHBondContact N-O 3.37Å; V500-F515 PolarHBondContact O-N 2.9Å; F515-W517 HydrophobicContact CD2-CB 4.25Å; F515-W517 HydrophobicContact CE2-CB 3.88Å; F515-W517 HydrophobicContact CE2-CE3 4.25Å
516Y95.4Very high92.9Very high61 Ų6155.4 Ų55.424%0.23927%0.265CS..EExtended strand (participates in β ladder)trans-93.8144.6168.9-65.2-85000109.9Q386 A389 Q485 I498 L499Q386-Y516 HydrophobicContact CB-CE2 3.98Å; Q386-Y516 HydrophobicContact CG-CE2 3.75Å; A389-Y516 HydrophobicContact CB-CE2 4.46Å; A389-Y516 VanDerWaalsContact CB-OH 3.24Å; A389-Y516 WeakPolarHBondContact CB-OH 3.42Å; Q485-Y516 HydrophobicContact CG-CD1 3.6Å; Q485-Y516 HydrophobicContact CG-CE1 3.61Å; I498-Y516 WeakPolarHBondContact O-CA 3.42Å; L499-Y516 HydrophobicContact CB-CD1 4.26Å; L499-Y516 HydrophobicContact CB-CE1 4.27Å; L499-Y516 HydrophobicContact CD1-CD1 3.88Å; L499-Y516 HydrophobicContact CD1-CD2 4.38Å; L499-Y516 HydrophobicContact CD1-CE1 3.7Å; L499-Y516 HydrophobicContact CD1-CE2 4.18Å; L499-Y516 HydrophobicContact CD1-CG 4.25Å; L499-Y516 HydrophobicContact CG-CE1 4.4Å
517W95.3Very high92.6Very high51 Ų5159.7 Ų59.719%0.19329%0.286CS..EExtended strand (participates in β ladder)trans-134.8130.6174179.3-82.2000110.5L451 S452 A497 I498 F515L451-W517 HydrophobicContact CB-CD2 3.94Å; L451-W517 HydrophobicContact CB-CE3 4.01Å; L451-W517 HydrophobicContact CB-CH2 3.83Å; L451-W517 HydrophobicContact CB-CZ2 3.73Å; L451-W517 HydrophobicContact CB-CZ3 3.96Å; L451-W517 HydrophobicContact CD1-CB 4.26Å; L451-W517 HydrophobicContact CD1-CD2 3.79Å; L451-W517 HydrophobicContact CD1-CE3 3.96Å; L451-W517 HydrophobicContact CD1-CG 3.9Å; L451-W517 HydrophobicContact CG-CD2 4.34Å; S452-W517 VanDerWaalsContact OG-CH2 3.32Å; S452-W517 WeakPolarHBondContact OG-CH2 3.39Å; A497-W517 WeakPolarHBondContact CA-O 3.44Å; I498-W517 HydrophobicContact CD1-CB 4.19Å; I498-W517 HydrophobicContact CG1-CB 3.79Å; I498-W517 HydrophobicContact CG1-CG 4.42Å; I498-W517 PolarHBondContact N-O 3.39Å; I498-W517 PolarHBondContact O-N 3.34Å; F515-W517 HydrophobicContact CD2-CB 4.25Å; F515-W517 HydrophobicContact CE2-CB 3.88Å; F515-W517 HydrophobicContact CE2-CE3 4.25Å
518E88.9Confident92.5Very high146 Ų14661.3 Ų61.368%0.68228%0.275SS*.  trans-142.5139.4174.8-170.9167.2-15500106.4A497A497-E518 HydrophobicContact CB-CB 4.15Å; A497-E518 HydrophobicContact CB-CG 3.98Å
519E72.1Confident92.6Very high198 Ų19848.6 Ų48.693%0.92522%0.221SC*.  trans-68.10-177.1-78.1-168.6160.800113.9R456R456-E519 IonicContact CZ-OE1 3.29Å; R456-E519 VanDerWaalsContact CZ-OE1 3.29Å; R456-E519 IonicContact NE-OE1 3.14Å; R456-E519 PolarHBondContact NE-OE1 2.93Å; R456-E519 IonicContact NH2-OE1 2.74Å; R456-E519 PolarHBondContact NH2-OE1 3.37Å

Retrieved 519 of 519 residues in 465.3 ms (Link to these results)

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