A0A077ZJK2_TRITR Loading...

Copper homeostasis protein cutC homolog

AlphaFold DB , UniProt , Accession A0A077ZJK2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 248 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
1M90.9Very high98Very high121 Ų12127.2 Ų27.260%0.59614%0.142SC*.  0151.5062.9-179.875.400107.2K239 I242 Q246M1-K239 PolarHBondContact SD-NZ 3.44Å; M1-I242 HydrophobicContact CB-CG2 3.89Å; M1-I242 HydrophobicContact CG-CG2 4.4Å; M1-Q246 HydrophobicContact CB-CB 3.78Å; M1-Q246 HydrophobicContact CB-CG 3.82Å
2A98.1Very high98Very high12 Ų1236.9 Ų36.910%0.09919%0.186CC..  trans-62.9150.1168.600000110.4L188 L193 I242A2-L188 HydrophobicContact CB-CD2 3.46Å; A2-L188 VanDerWaalsContact CB-CD2 3.46Å; A2-L193 CarbonylContact C-O 3.6Å; A2-L193 WeakPolarHBondContact CA-O 3.46Å; A2-I242 HydrophobicContact CB-CG2 4.41Å; A2-I242 WeakPolarHBondContact O-CG2 3.34Å
3L98.8Very high98.1Very high44 Ų4434.5 Ų34.523%0.2318%0.175CC..EExtended strand (participates in β ladder)trans-88.5131.4176.4-170.4154.3000109.8E5 D23 R24 L193 E194 V195L3-E5 HydrophobicContact CD2-CB 4.42Å; L3-D23 HydrophobicContact CD1-CB 4.39Å; L3-D23 HydrophobicContact CD2-CB 3.91Å; L3-D23 HydrophobicContact CG-CB 3.63Å; L3-R24 HydrophobicContact CD2-CB 3.83Å; L3-L193 PolarHBondContact N-O 3.11Å; L3-E194 HydrophobicContact CB-CB 4.42Å; L3-E194 HydrophobicContact CB-CG 3.99Å; L3-E194 WeakPolarHBondContact O-CA 3.28Å; L3-V195 PolarHBondContact O-N 3.31Å
4L98.9Very high98.1Very high0 Ų032.1 Ų32.10%016%0.163CC..EExtended strand (participates in β ladder)trans-96.3111.3175.3-178.959.4000111.5I6 D23 R24 V195 V235 M238 K239 I242L4-I6 HydrophobicContact CD1-CD1 3.85Å; L4-I6 HydrophobicContact CD2-CD1 4.2Å; L4-I6 HydrophobicContact CG-CD1 3.89Å; L4-I6 HydrophobicContact CG-CG1 4.34Å; L4-D23 PolarHBondContact N-OD2 3.28Å; L4-D23 PolarHBondContact O-N 3.2Å; L4-R24 PolarHBondContact O-N 3.35Å; L4-V195 HydrophobicContact CD1-CG2 3.85Å; L4-V235 HydrophobicContact CD2-CG1 4.27Å; L4-M238 HydrophobicContact CD1-CB 4.41Å; L4-M238 HydrophobicContact CD1-CE 4.38Å; L4-M238 HydrophobicContact CD1-SD 4.48Å; L4-M238 HydrophobicContact CD2-CB 3.91Å; L4-K239 HydrophobicContact CD2-CB 4.16Å; L4-I242 HydrophobicContact CB-CD1 3.77Å; L4-I242 HydrophobicContact CD1-CD1 4.34Å; L4-I242 HydrophobicContact CD2-CD1 4.48Å; L4-I242 HydrophobicContact CG-CD1 4.42Å
5E98.9Very high98.2Very high0 Ų032.3 Ų32.30%016%0.164CC..EExtended strand (participates in β ladder)trans-98.9133.2170-171.9-179.792.900111.1L3 R24 E26 M174 V195 H196 S197L3-E5 HydrophobicContact CD2-CB 4.42Å; E5-R24 VanDerWaalsContact CA-O 3.3Å; E5-R24 WeakPolarHBondContact CA-O 3.33Å; E5-R24 HydrophobicContact CB-CB 4.32Å; E5-R24 HydrophobicContact CG-CB 4.17Å; E5-R24 HydrophobicContact CG-CG 4.22Å; E5-R24 IonicContact OE2-CZ 3.19Å; E5-R24 VanDerWaalsContact OE2-CZ 3.29Å; E5-R24 IonicContact OE2-NE 2.85Å; E5-R24 PolarHBondContact OE2-NE 2.89Å; E5-R24 IonicContact OE2-NH2 2.99Å; E5-R24 PolarHBondContact OE2-NH2 3.21Å; E5-E26 HydrophobicContact CG-CB 4.42Å; E5-M174 HydrophobicContact CB-SD 4Å; E5-M174 WeakPolarHBondContact OE1-CE 3.5Å; E5-V195 PolarHBondContact N-O 3.47Å; E5-H196 WeakPolarHBondContact O-CA 3.4Å; E5-H196 IonicContact OE1-CE1 2.65Å; E5-H196 IonicContact OE1-CG 3.79Å; E5-H196 IonicContact OE1-ND1 2.95Å; E5-H196 PolarHBondContact OE1-ND1 3.24Å; E5-S197 PolarHBondContact O-N 3.18Å
6I98.9Very high98.2Very high0 Ų032.9 Ų32.90%017%0.17CC..EExtended strand (participates in β ladder)trans-113125.9177.6-56.9-60.3000111.6L4 C8 A17 A22 R24 V25 E26 S197 A199 V230 V235 M238L4-I6 HydrophobicContact CD1-CD1 3.85Å; L4-I6 HydrophobicContact CD2-CD1 4.2Å; L4-I6 HydrophobicContact CG-CD1 3.89Å; L4-I6 HydrophobicContact CG-CG1 4.34Å; I6-C8 PolarHBondContact O-N 3.02Å; I6-A17 HydrophobicContact CB-CB 3.97Å; I6-A17 HydrophobicContact CG1-CB 4.25Å; I6-A17 HydrophobicContact CG2-CB 3.99Å; I6-A22 HydrophobicContact CB-CB 4.33Å; I6-A22 HydrophobicContact CG1-CB 3.64Å; I6-R24 PolarHBondContact N-O 3.39Å; I6-V25 WeakPolarHBondContact O-CA 3.42Å; I6-E26 PolarHBondContact O-N 3.23Å; I6-S197 CarbonylContact C-O 3.54Å; I6-S197 VanDerWaalsContact CA-O 3.29Å; I6-S197 WeakPolarHBondContact CA-O 3.46Å; I6-A199 HydrophobicContact CD1-CB 4.12Å; I6-A199 HydrophobicContact CG2-CB 4.35Å; I6-V230 HydrophobicContact CG2-CG1 4.19Å; I6-V230 HydrophobicContact CG2-CG2 3.94Å; I6-V235 HydrophobicContact CD1-CG1 4.36Å; I6-V235 HydrophobicContact CD1-CG2 3.99Å; I6-V235 HydrophobicContact CG1-CG1 4.1Å; I6-V235 HydrophobicContact CG1-CG2 4Å; I6-V235 HydrophobicContact CG2-CG2 4.4Å; I6-M238 HydrophobicContact CD1-CE 3.81Å
7C98.6Very high98.3Very high6 Ų630.9 Ų30.94%0.04116%0.16CC..EExtended strand (participates in β ladder)trans-73116.7171.2-167.90000110.5E26 S197C7-E26 PolarHBondContact SG-OE2 3.47Å; C7-S197 PolarHBondContact N-O 3.36Å
8C98.8Very high98.3Very high0 Ų031.6 Ų31.60%016%0.162CC..EExtended strand (participates in β ladder)trans-119.8135.4-176.5-66.60000111.5I6 C13 A14 V25 E26 C28I6-C8 PolarHBondContact O-N 3.02Å; C8-C13 HydrophobicContact CB-CB 3.86Å; C8-A14 HydrophobicContact CB-CB 4.12Å; C8-V25 HydrophobicContact CB-CG1 3.64Å; C8-E26 PolarHBondContact N-O 3.28Å; C8-C28 PolarHBondContact O-N 2.93Å
9Y98.6Very high98.3Very high48 Ų4836.9 Ų36.919%0.18819%0.186CC..SBendtrans-105.16.2-178.8-67.9-84.7000114.4C28 P31 Y228Y9-C28 WeakPolarHBondContact CA-O 3.44Å; Y9-C28 HydrophobicContact CD1-CB 3.76Å; Y9-C28 HydrophobicContact CE1-CB 3.51Å; Y9-P31 HydrophobicContact CD1-CB 3.85Å; Y9-P31 HydrophobicContact CD1-CG 4.23Å; Y9-P31 HydrophobicContact CD2-CB 4.13Å; Y9-P31 HydrophobicContact CE1-CB 3.64Å; Y9-P31 HydrophobicContact CE1-CG 4.46Å; Y9-P31 HydrophobicContact CE2-CB 3.96Å; Y9-P31 HydrophobicContact CG-CB 4.07Å; Y9-P31 HydrophobicContact CG-CG 4.39Å; Y9-Y228 AromaticContact CD2-CD1 3.87Å; Y9-Y228 HydrophobicContact CD2-CD1 3.87Å; Y9-Y228 HydrophobicContact CD2-CE1 4.08Å; Y9-Y228 HydrophobicContact CE2-CD1 4.07Å; Y9-Y228 AromaticContact CE2-CE1 3.91Å; Y9-Y228 HydrophobicContact CE2-CE1 3.91Å
10S98.6Very high98.4Very high36 Ų3637.7 Ų37.725%0.25219%0.191SC..SBendtrans-156.6164.617676.60000111.1E12 C13 A14S10-E12 VanDerWaalsContact C-N 3.3Å; S10-E12 PolarHBondContact O-N 3.47Å; S10-E12 PolarHBondContact OG-N 3.4Å; S10-C13 PolarHBondContact O-N 2.93Å; S10-C13 PolarHBondContact OG-N 3.18Å; S10-C13 PolarHBondContact OG-SG 3.01Å; S10-A14 PolarHBondContact O-N 3.34Å
11M98.7Very high98.4Very high32 Ų3237.1 Ų37.116%0.15820%0.195CC..Hα-helixtrans-62.3-38.3173-179.3-82.9-59.700112.1A14 L15 S45 V46 R49M11-A14 PolarHBondContact O-N 2.91Å; M11-L15 PolarHBondContact O-N 3.46Å; M11-S45 WeakPolarHBondContact CG-OG 3.38Å; M11-V46 HydrophobicContact CB-CG2 3.67Å; M11-V46 HydrophobicContact CG-CG2 3.85Å; M11-R49 HydrophobicContact CE-CG 4.48Å; M11-R49 HydrophobicContact CG-CB 4.14Å; M11-R49 HydrophobicContact CG-CG 4.41Å; M11-R49 HydrophobicContact SD-CB 3.73Å; M11-R49 HydrophobicContact SD-CG 3.95Å
12E98.7Very high98.8Very high144 Ų14431.6 Ų31.667%0.67317%0.168SC*.Hα-helixtrans-63.6-42.2176.5-66.9176.4157.800111.4S10 A14 L15 T16S10-E12 VanDerWaalsContact C-N 3.3Å; S10-E12 PolarHBondContact O-N 3.47Å; S10-E12 PolarHBondContact OG-N 3.4Å; E12-A14 VanDerWaalsContact C-N 3.34Å; E12-A14 PolarHBondContact O-N 2.71Å; E12-L15 PolarHBondContact O-N 2.77Å; E12-T16 WeakPolarHBondContact O-CB 3.38Å; E12-T16 PolarHBondContact O-N 2.93Å; E12-T16 PolarHBondContact O-OG1 2.97Å; E12-T16 VanDerWaalsContact O-OG1 3.04Å
13C98.7Very high98.8Very high6 Ų633.4 Ų33.44%0.04118%0.176CC..Hα-helixtrans-60-44.7173.8-69.40000111.6C8 S10 L15 T16 A17 V230C8-C13 HydrophobicContact CB-CB 3.86Å; S10-C13 PolarHBondContact O-N 2.93Å; S10-C13 PolarHBondContact OG-N 3.18Å; S10-C13 PolarHBondContact OG-SG 3.01Å; C13-L15 VanDerWaalsContact C-N 3.33Å; C13-L15 PolarHBondContact O-N 2.7Å; C13-T16 PolarHBondContact O-N 2.94Å; C13-A17 WeakPolarHBondContact O-CB 3.45Å; C13-A17 PolarHBondContact O-N 3.02Å; C13-V230 HydrophobicContact CB-CB 4.08Å; C13-V230 HydrophobicContact CB-CG2 3.72Å; C13-V230 PolarHBondContact SG-N 3.2Å
14A98.8Very high98.8Very high0 Ų031.8 Ų31.80%017%0.167CC..Hα-helixtrans-63.3-39.2178.800000112.2C8 S10 M11 E12 Q18 V25 V50C8-A14 HydrophobicContact CB-CB 4.12Å; S10-A14 PolarHBondContact O-N 3.34Å; M11-A14 PolarHBondContact O-N 2.91Å; E12-A14 VanDerWaalsContact C-N 3.34Å; E12-A14 PolarHBondContact O-N 2.71Å; A14-Q18 PolarHBondContact O-N 3.04Å; A14-V25 HydrophobicContact CB-CG1 3.96Å; A14-V25 HydrophobicContact CB-CG2 4.43Å; A14-V50 HydrophobicContact CB-CG2 3.84Å
15L98.8Very high98.8Very high35 Ų3531.8 Ų31.818%0.18317%0.167CC..Hα-helixtrans-67.6-42.1175.1-17461.7000111.7M11 E12 C13 Q18 Q19M11-L15 PolarHBondContact O-N 3.46Å; E12-L15 PolarHBondContact O-N 2.77Å; C13-L15 VanDerWaalsContact C-N 3.33Å; C13-L15 PolarHBondContact O-N 2.7Å; L15-Q18 PolarHBondContact O-N 3.46Å; L15-Q19 WeakPolarHBondContact O-CB 3.36Å; L15-Q19 VanDerWaalsContact O-CG 3.27Å; L15-Q19 WeakPolarHBondContact O-CG 3.32Å; L15-Q19 PolarHBondContact O-N 3.32Å
16T98.9Very high98.8Very high42 Ų4232.2 Ų32.226%0.25817%0.169SC..Hα-helixtrans-60-46.4174.2-64.30000111.2E12 C13 Q18 Q19 N20 V230E12-T16 WeakPolarHBondContact O-CB 3.38Å; E12-T16 PolarHBondContact O-N 2.93Å; E12-T16 PolarHBondContact O-OG1 2.97Å; E12-T16 VanDerWaalsContact O-OG1 3.04Å; C13-T16 PolarHBondContact O-N 2.94Å; T16-Q18 PolarHBondContact O-N 3.3Å; T16-Q19 PolarHBondContact O-N 3.26Å; T16-N20 PolarHBondContact O-N 3.31Å; T16-N20 VanDerWaalsContact O-N 3.15Å; T16-N20 PolarHBondContact O-ND2 2.9Å; T16-V230 HydrophobicContact CG2-CG1 4.33Å
17A98.9Very high98.8Very high0 Ų032.2 Ų32.20%017%0.169CC..Hα-helixtrans-58.3-47.4177.200000111.2I6 C13 Q19 N20 G21 A22 V25 V230I6-A17 HydrophobicContact CB-CB 3.97Å; I6-A17 HydrophobicContact CG1-CB 4.25Å; I6-A17 HydrophobicContact CG2-CB 3.99Å; C13-A17 WeakPolarHBondContact O-CB 3.45Å; C13-A17 PolarHBondContact O-N 3.02Å; A17-Q19 PolarHBondContact O-N 2.87Å; A17-N20 CarbonylContact O-C 3.59Å; A17-N20 PolarHBondContact O-N 3.48Å; A17-G21 PolarHBondContact O-N 3.49Å; A17-A22 HydrophobicContact CB-CB 3.87Å; A17-A22 VanDerWaalsContact O-CB 3.23Å; A17-A22 WeakPolarHBondContact O-CB 3.17Å; A17-A22 PolarHBondContact O-N 3.45Å; A17-V25 HydrophobicContact CB-CG2 3.93Å; A17-V230 HydrophobicContact CB-CG1 4.47Å
18Q98.8Very high98.8Very high42 Ų4232 Ų3220%0.19617%0.168CC..Hα-helixtrans-57.5-48.7175.5174.8175.9-73.300112.5A14 L15 T16 N20 G21 T51 I52A14-Q18 PolarHBondContact O-N 3.04Å; L15-Q18 PolarHBondContact O-N 3.46Å; T16-Q18 PolarHBondContact O-N 3.3Å; Q18-N20 PolarHBondContact O-N 3.43Å; Q18-G21 PolarHBondContact O-N 3.31Å; Q18-T51 PolarHBondContact NE2-OG1 3.37Å; Q18-T51 PolarHBondContact OE1-OG1 2.96Å; Q18-I52 HydrophobicContact CB-CD1 3.75Å; Q18-I52 HydrophobicContact CB-CG1 4.02Å; Q18-I52 HydrophobicContact CG-CD1 4.26Å; Q18-I52 HydrophobicContact CG-CG1 4.15Å; Q18-I52 HydrophobicContact CG-CG2 3.91Å
19Q98.8Very high98.8Very high133 Ų13333.5 Ų33.562%0.62118%0.179SC*.Hα-helixtrans-64.3-21.2-177.4-73.7171.6-10.800113L15 T16 A17L15-Q19 WeakPolarHBondContact O-CB 3.36Å; L15-Q19 VanDerWaalsContact O-CG 3.27Å; L15-Q19 WeakPolarHBondContact O-CG 3.32Å; L15-Q19 PolarHBondContact O-N 3.32Å; T16-Q19 PolarHBondContact O-N 3.26Å; A17-Q19 PolarHBondContact O-N 2.87Å
20N98.9Very high98.7Very high53 Ų5333.1 Ų33.128%0.28319%0.187SC..THydrogen-bonded Turntrans-106.914.6-178.6-69.3-82.6000113.3T16 A17 Q18 G232 V235 A236T16-N20 PolarHBondContact O-N 3.31Å; T16-N20 VanDerWaalsContact O-N 3.15Å; T16-N20 PolarHBondContact O-ND2 2.9Å; A17-N20 CarbonylContact O-C 3.59Å; A17-N20 PolarHBondContact O-N 3.48Å; Q18-N20 PolarHBondContact O-N 3.43Å; N20-G232 VanDerWaalsContact CB-O 3.24Å; N20-G232 WeakPolarHBondContact CB-O 3.17Å; N20-G232 VanDerWaalsContact CG-O 3.24Å; N20-G232 WeakPolarHBondContact ND2-CA 3.19Å; N20-G232 PolarHBondContact OD1-O 3.06Å; N20-V235 HydrophobicContact CB-CB 3.94Å; N20-V235 HydrophobicContact CB-CG1 4Å; N20-A236 HydrophobicContact CB-CB 4.21Å; N20-A236 WeakPolarHBondContact O-CA 3.21Å; N20-A236 PolarHBondContact O-N 3.47Å
21G98.7Very high98.6Very high26 Ų2634 Ų3427%0.26819%0.191SC..THydrogen-bonded Turntrans94.413.7167.500000115.9A17 Q18 D23 K239A17-G21 PolarHBondContact O-N 3.49Å; Q18-G21 PolarHBondContact O-N 3.31Å; G21-D23 PolarHBondContact O-N 2.81Å; G21-K239 WeakPolarHBondContact O-CD 3.37Å; G21-K239 WeakPolarHBondContact O-CE 3.49Å; G21-K239 WeakPolarHBondContact O-CG 3.36Å
22A98.8Very high98.3Very high4 Ų438.7 Ų38.73%0.03321%0.211CC..  trans-58.5135.2165.700000110.2I6 A17 I52 V235I6-A22 HydrophobicContact CB-CB 4.33Å; I6-A22 HydrophobicContact CG1-CB 3.64Å; A17-A22 HydrophobicContact CB-CB 3.87Å; A17-A22 VanDerWaalsContact O-CB 3.23Å; A17-A22 WeakPolarHBondContact O-CB 3.17Å; A17-A22 PolarHBondContact O-N 3.45Å; A22-I52 HydrophobicContact CB-CD1 4.24Å; A22-I52 WeakPolarHBondContact O-CD1 3.24Å; A22-V235 HydrophobicContact CB-CG1 4.04Å
23D98.9Very high98.2Very high51 Ų5136.5 Ų36.527%0.27320%0.201SC..SBendtrans-84.4-27.1178.3-61.5-66.8000111.4L3 L4 G21 K239L3-D23 HydrophobicContact CD1-CB 4.39Å; L3-D23 HydrophobicContact CD2-CB 3.91Å; L3-D23 HydrophobicContact CG-CB 3.63Å; L4-D23 PolarHBondContact N-OD2 3.28Å; L4-D23 PolarHBondContact O-N 3.2Å; G21-D23 PolarHBondContact O-N 2.81Å; D23-K239 IonicContact OD1-NZ 2.7Å; D23-K239 PolarHBondContact OD1-NZ 2.75Å; D23-K239 IonicContact OD2-NZ 2.77Å; D23-K239 PolarHBondContact OD2-NZ 2.79Å
24R98.9Very high98.1Very high9 Ų938.9 Ų38.93%0.03423%0.226CC..EExtended strand (participates in β ladder)trans-149.9156.1179.6-170.6159.470.7-134.7-1.4110.8L3 L4 E5 I6 P53 R144 M174 E194L3-R24 HydrophobicContact CD2-CB 3.83Å; L4-R24 PolarHBondContact O-N 3.35Å; E5-R24 VanDerWaalsContact CA-O 3.3Å; E5-R24 WeakPolarHBondContact CA-O 3.33Å; E5-R24 HydrophobicContact CB-CB 4.32Å; E5-R24 HydrophobicContact CG-CB 4.17Å; E5-R24 HydrophobicContact CG-CG 4.22Å; E5-R24 IonicContact OE2-CZ 3.19Å; E5-R24 VanDerWaalsContact OE2-CZ 3.29Å; E5-R24 IonicContact OE2-NE 2.85Å; E5-R24 PolarHBondContact OE2-NE 2.89Å; E5-R24 IonicContact OE2-NH2 2.99Å; E5-R24 PolarHBondContact OE2-NH2 3.21Å; I6-R24 PolarHBondContact N-O 3.39Å; R24-P53 WeakPolarHBondContact CA-O 3.41Å; R24-P53 HydrophobicContact CG-CB 4.04Å; R24-P53 WeakPolarHBondContact CG-O 3.47Å; R24-R144 VanDerWaalsContact NH2-NE 3.17Å; R24-M174 PolarHBondContact NH2-SD 3.17Å; R24-E194 IonicContact CZ-OE1 3.23Å; R24-E194 IonicContact CZ-OE2 3.29Å; R24-E194 IonicContact NH1-OE1 2.68Å; R24-E194 PolarHBondContact NH1-OE1 3.17Å; R24-E194 IonicContact NH1-OE2 3.63Å; R24-E194 IonicContact NH2-OE1 3.6Å; R24-E194 IonicContact NH2-OE2 3.51Å; R24-E194 PolarHBondContact NH2-OE2 3.27Å
25V98.9Very high98Very high0 Ų038.9 Ų38.90%023%0.226CC..EExtended strand (participates in β ladder)trans-122.6133173.3165.50000110I6 C8 A14 A17 I52 P53 V54 H55I6-V25 WeakPolarHBondContact O-CA 3.42Å; C8-V25 HydrophobicContact CB-CG1 3.64Å; A14-V25 HydrophobicContact CB-CG1 3.96Å; A14-V25 HydrophobicContact CB-CG2 4.43Å; A17-V25 HydrophobicContact CB-CG2 3.93Å; V25-I52 HydrophobicContact CG2-CD1 3.8Å; V25-P53 PolarHBondContact N-O 3.45Å; V25-V54 HydrophobicContact CB-CG2 4.31Å; V25-V54 HydrophobicContact CG1-CG1 4.28Å; V25-V54 CarbonylContact O-C 3.6Å; V25-V54 VanDerWaalsContact O-CA 3.3Å; V25-V54 WeakPolarHBondContact O-CA 3.37Å; V25-H55 PolarHBondContact O-N 3.15Å
26E98.9Very high98Very high10 Ų1038.8 Ų38.85%0.04723%0.225CC..EExtended strand (participates in β ladder)trans-87.6124.4158.4-175.8-168.1-12000108.1E5 I6 C7 C8 C28 H55 V91 H196E5-E26 HydrophobicContact CG-CB 4.42Å; I6-E26 PolarHBondContact O-N 3.23Å; C7-E26 PolarHBondContact SG-OE2 3.47Å; C8-E26 PolarHBondContact N-O 3.28Å; E26-C28 VanDerWaalsContact CD-SG 3.59Å; E26-C28 PolarHBondContact OE2-SG 3.19Å; E26-H55 WeakPolarHBondContact CA-O 3.47Å; E26-V91 HydrophobicContact CG-CG2 3.98Å; E26-V91 WeakPolarHBondContact OE1-CG1 3.5Å; E26-H196 IonicContact OE2-CE1 3.52Å; E26-H196 PolarHBondContact OE2-CE1 2.86Å; E26-H196 VanDerWaalsContact OE2-CE1 3.23Å; E26-H196 IonicContact OE2-NE2 3.56Å
27L98.9Very high98Very high0 Ų038 Ų380%022%0.221CC..EExtended strand (participates in β ladder)trans-101.9117.8-178.8-178.768.9000110.8P38 V42 L43 V46 V54 H55 P56 I57L27-P38 HydrophobicContact CB-CG 4.48Å; L27-P38 HydrophobicContact CD2-CB 4.43Å; L27-P38 HydrophobicContact CD2-CG 4.18Å; L27-P38 HydrophobicContact CG-CB 4.36Å; L27-P38 HydrophobicContact CG-CG 3.8Å; L27-P38 WeakPolarHBondContact O-CG 3.47Å; L27-V42 HydrophobicContact CD1-CG1 4.23Å; L27-V42 HydrophobicContact CD2-CG1 4.31Å; L27-L43 HydrophobicContact CD2-CD2 3.86Å; L27-V46 HydrophobicContact CD1-CG2 3.94Å; L27-V46 HydrophobicContact CD2-CB 3.99Å; L27-V46 HydrophobicContact CD2-CG1 4.18Å; L27-V46 HydrophobicContact CD2-CG2 3.73Å; L27-V46 HydrophobicContact CG-CG2 4.5Å; L27-V54 HydrophobicContact CB-CG1 3.66Å; L27-V54 HydrophobicContact CD2-CG1 4.3Å; L27-H55 PolarHBondContact N-O 3.23Å; L27-P56 HydrophobicContact CB-CB 4.48Å; L27-P56 WeakPolarHBondContact O-CA 3.43Å; L27-I57 PolarHBondContact O-N 3.33Å
28C98.8Very high98Very high2 Ų238.3 Ų38.31%0.01422%0.222CC..  trans-126166.4-173.7-65.90000111.9C8 Y9 E26 I57C8-C28 PolarHBondContact O-N 2.93Å; Y9-C28 WeakPolarHBondContact CA-O 3.44Å; Y9-C28 HydrophobicContact CD1-CB 3.76Å; Y9-C28 HydrophobicContact CE1-CB 3.51Å; E26-C28 VanDerWaalsContact CD-SG 3.59Å; E26-C28 PolarHBondContact OE2-SG 3.19Å; C28-I57 HydrophobicContact CB-CG2 4.13Å; C28-I57 VanDerWaalsContact SG-CG2 3.57Å
29A98.6Very high98Very high30 Ų3039.8 Ų39.825%0.24824%0.237CC..BIsolated β-bridgetrans-124.3169.8162.700000110.1G35 L36A29-G35 CarbonylContact O-C 3.38Å; A29-G35 WeakPolarHBondContact O-CA 3.48Å; A29-L36 PolarHBondContact N-O 2.87Å; A29-L36 PolarHBondContact O-N 3.27Å
30A97.1Very high98Very high41 Ų4137.4 Ų37.434%0.33923%0.229SC..  trans51.173173.300000114.5K32 E33 L36A30-K32 PolarHBondContact O-N 2.95Å; A30-K32 VanDerWaalsContact O-N 3.17Å; A30-E33 HydrophobicContact CB-CB 4.29Å; A30-E33 HydrophobicContact CB-CG 4.26Å; A30-E33 PolarHBondContact O-N 3.47Å; A30-L36 HydrophobicContact CB-CB 4.22Å; A30-L36 HydrophobicContact CB-CD1 3.65Å; A30-L36 HydrophobicContact CB-CG 3.82Å
31P95.5Very high98Very high54 Ų5437.3 Ų37.335%0.35124%0.24SC..G310 helixtrans-59.5-30.6-176.823.3-33.8000114.1Y9 E33 G34 Y228Y9-P31 HydrophobicContact CD1-CB 3.85Å; Y9-P31 HydrophobicContact CD1-CG 4.23Å; Y9-P31 HydrophobicContact CD2-CB 4.13Å; Y9-P31 HydrophobicContact CE1-CB 3.64Å; Y9-P31 HydrophobicContact CE1-CG 4.46Å; Y9-P31 HydrophobicContact CE2-CB 3.96Å; Y9-P31 HydrophobicContact CG-CB 4.07Å; Y9-P31 HydrophobicContact CG-CG 4.39Å; P31-E33 PolarHBondContact O-N 3.25Å; P31-G34 PolarHBondContact O-N 3.31Å; P31-G34 VanDerWaalsContact O-N 3.12Å; P31-Y228 HydrophobicContact CB-CD1 4.09Å
32K93.5Very high98Very high131 Ų13138.2 Ų38.257%0.5724%0.241SC*.G310 helixtrans-64.8-21.6177-66.9-173.1178.4179.10113.4A30A30-K32 PolarHBondContact O-N 2.95Å; A30-K32 VanDerWaalsContact O-N 3.17Å
33E96.3Very high98Very high98 Ų9838.2 Ų38.246%0.45824%0.24SC..G310 helixtrans-95.82.6178.2-63.3-66.4170.800112.6A30 P31 G35 L36 R59 G62A30-E33 HydrophobicContact CB-CB 4.29Å; A30-E33 HydrophobicContact CB-CG 4.26Å; A30-E33 PolarHBondContact O-N 3.47Å; P31-E33 PolarHBondContact O-N 3.25Å; E33-G35 VanDerWaalsContact C-N 3.34Å; E33-L36 HydrophobicContact CB-CD1 4.16Å; E33-L36 HydrophobicContact CB-CD2 4.06Å; E33-L36 HydrophobicContact CB-CG 3.95Å; E33-L36 HydrophobicContact CG-CD1 4.15Å; E33-L36 HydrophobicContact CG-CG 4.49Å; E33-R59 PolarHBondContact O-NH1 3.35Å; E33-G62 WeakPolarHBondContact OE2-CA 3.49Å
34G95.5Very high98Very high55 Ų5540.7 Ų40.757%0.56725%0.248SC*.THydrogen-bonded Turntrans76.417-176.500000114.6P31P31-G34 PolarHBondContact O-N 3.31Å; P31-G34 VanDerWaalsContact O-N 3.12Å
35G98.2Very high98Very high0 Ų042 Ų420%026%0.259CS..  trans105.3119.8179.400000113.1A29 E33 R59A29-G35 CarbonylContact O-C 3.38Å; A29-G35 WeakPolarHBondContact O-CA 3.48Å; E33-G35 VanDerWaalsContact C-N 3.34Å; G35-R59 WeakPolarHBondContact O-CD 3.35Å; G35-R59 PolarHBondContact O-NH1 3.15Å; G35-R59 VanDerWaalsContact O-NH1 3.07Å
36L98.8Very high98Very high33 Ų3342 Ų4217%0.17326%0.259CS..BIsolated β-bridgetrans-123.6164.3173.5-58.9-173.7000111.3A29 A30 E33 P38 I57 R59 R61A29-L36 PolarHBondContact N-O 2.87Å; A29-L36 PolarHBondContact O-N 3.27Å; A30-L36 HydrophobicContact CB-CB 4.22Å; A30-L36 HydrophobicContact CB-CD1 3.65Å; A30-L36 HydrophobicContact CB-CG 3.82Å; E33-L36 HydrophobicContact CB-CD1 4.16Å; E33-L36 HydrophobicContact CB-CD2 4.06Å; E33-L36 HydrophobicContact CB-CG 3.95Å; E33-L36 HydrophobicContact CG-CD1 4.15Å; E33-L36 HydrophobicContact CG-CG 4.49Å; L36-P38 WeakPolarHBondContact O-CD 3.4Å; L36-I57 VanDerWaalsContact C-CG2 3.41Å; L36-I57 WeakPolarHBondContact O-CG2 3.44Å; L36-R59 WeakPolarHBondContact CA-O 3.41Å; L36-R59 HydrophobicContact CD2-CG 4.21Å; L36-R61 WeakPolarHBondContact CD2-O 3.34Å
37T98.9Very high98Very high26 Ų2646.1 Ų46.116%0.1627%0.274CS..PPolyproline II helixtrans-54.3124.1176.8-48.90000111.2I57 I58 R59 D78T37-I57 WeakPolarHBondContact CA-O 3.27Å; T37-I58 HydrophobicContact CG2-CD1 4.33Å; T37-I58 WeakPolarHBondContact OG1-CA 3.29Å; T37-R59 PolarHBondContact N-O 3.01Å; T37-R59 PolarHBondContact OG1-N 3.05Å; T37-R59 PolarHBondContact OG1-O 3.11Å; T37-D78 HydrophobicContact CG2-CB 4.25Å
38P98.9Very high98Very high6 Ų653.6 Ų53.64%0.03931%0.309CS..PPolyproline II helixtrans-66.6146.8175.6-16.729.1000111.8L27 L36 V42 L43 I57L27-P38 HydrophobicContact CB-CG 4.48Å; L27-P38 HydrophobicContact CD2-CB 4.43Å; L27-P38 HydrophobicContact CD2-CG 4.18Å; L27-P38 HydrophobicContact CG-CB 4.36Å; L27-P38 HydrophobicContact CG-CG 3.8Å; L27-P38 WeakPolarHBondContact O-CG 3.47Å; L36-P38 WeakPolarHBondContact O-CD 3.4Å; P38-V42 HydrophobicContact CB-CB 4.32Å; P38-V42 HydrophobicContact CB-CG1 4.25Å; P38-L43 HydrophobicContact CB-CD2 3.93Å; P38-L43 HydrophobicContact CB-CG 4.29Å; P38-L43 HydrophobicContact CG-CD2 4.04Å; P38-I57 WeakPolarHBondContact CD-O 3.23Å
39S98.8Very high98Very high73 Ų7360.2 Ų60.251%0.5133%0.334SS..PPolyproline II helixtrans-60.4152.3172.972.30000112.1G41 V42 L43S39-G41 PolarHBondContact O-N 3.44Å; S39-G41 VanDerWaalsContact O-N 3.11Å; S39-V42 PolarHBondContact O-N 2.95Å; S39-V42 WeakPolarHBondContact OG-CG2 3.47Å; S39-L43 PolarHBondContact O-N 3.21Å
40L98.9Very high98Very high83 Ų8359 Ų5944%0.43532%0.323SS..Hα-helixtrans-53.7-34.8177.6-178.359.4000113.3L43 K44 T81 L85L40-L43 PolarHBondContact O-N 2.91Å; L40-K44 HydrophobicContact CD1-CD 4.45Å; L40-K44 HydrophobicContact CD1-CG 4.31Å; L40-K44 HydrophobicContact CG-CD 4.36Å; L40-K44 WeakPolarHBondContact O-CG 3.39Å; L40-K44 PolarHBondContact O-N 3.11Å; L40-T81 HydrophobicContact CD1-CG2 3.81Å; L40-L85 HydrophobicContact CD1-CD1 3.78Å
41G98.8Very high98.1Very high51 Ų5162.9 Ų62.953%0.52634%0.343SS..Hα-helixtrans-62.8-42.8176.200000112.5S39 S45S39-G41 PolarHBondContact O-N 3.44Å; S39-G41 VanDerWaalsContact O-N 3.11Å; G41-S45 WeakPolarHBondContact O-CB 3.41Å; G41-S45 PolarHBondContact O-N 3.4Å
42V98.8Very high98.2Very high46 Ų4662 Ų6228%0.27934%0.335SS..Hα-helixtrans-68.1-43.8176.7176.70000110.5L27 P38 S39 K44 S45 V46L27-V42 HydrophobicContact CD1-CG1 4.23Å; L27-V42 HydrophobicContact CD2-CG1 4.31Å; P38-V42 HydrophobicContact CB-CB 4.32Å; P38-V42 HydrophobicContact CB-CG1 4.25Å; S39-V42 PolarHBondContact O-N 2.95Å; S39-V42 WeakPolarHBondContact OG-CG2 3.47Å; V42-K44 PolarHBondContact O-N 3.3Å; V42-S45 PolarHBondContact O-N 3.37Å; V42-V46 HydrophobicContact CG1-CG2 4.36Å; V42-V46 WeakPolarHBondContact O-CG2 3.2Å; V42-V46 PolarHBondContact O-N 3.23Å
43L98.9Very high98.5Very high3 Ų358.5 Ų58.52%0.01633%0.325CS..Hα-helixtrans-55.2-51.8176.3-65179.9000111.5L27 P38 S39 L40 S45 V46 R47 P56 V82 L85 F87L27-L43 HydrophobicContact CD2-CD2 3.86Å; P38-L43 HydrophobicContact CB-CD2 3.93Å; P38-L43 HydrophobicContact CB-CG 4.29Å; P38-L43 HydrophobicContact CG-CD2 4.04Å; S39-L43 PolarHBondContact O-N 3.21Å; L40-L43 PolarHBondContact O-N 2.91Å; L43-S45 PolarHBondContact O-N 3Å; L43-V46 PolarHBondContact O-N 2.9Å; L43-R47 WeakPolarHBondContact O-CG 3.3Å; L43-R47 PolarHBondContact O-N 3.34Å; L43-P56 HydrophobicContact CD2-CB 3.67Å; L43-P56 HydrophobicContact CD2-CG 3.69Å; L43-V82 HydrophobicContact CD1-CG2 4.04Å; L43-L85 HydrophobicContact CB-CD1 3.83Å; L43-L85 HydrophobicContact CD1-CD1 4.12Å; L43-F87 HydrophobicContact CB-CE2 4.01Å; L43-F87 HydrophobicContact CB-CZ 4.06Å; L43-F87 HydrophobicContact CD2-CE2 4.05Å; L43-F87 HydrophobicContact CD2-CZ 3.91Å; L43-F87 WeakPolarHBondContact O-CZ 3.24Å
44K98.9Very high98.6Very high104 Ų10454 Ų5445%0.45231%0.305SS..Hα-helixtrans-61.2-43.6177.5-73.9-178.8175.9-177.70112.1L40 V42 V46 R47 Q48 L85L40-K44 HydrophobicContact CD1-CD 4.45Å; L40-K44 HydrophobicContact CD1-CG 4.31Å; L40-K44 HydrophobicContact CG-CD 4.36Å; L40-K44 WeakPolarHBondContact O-CG 3.39Å; L40-K44 PolarHBondContact O-N 3.11Å; V42-K44 PolarHBondContact O-N 3.3Å; K44-V46 VanDerWaalsContact C-N 3.31Å; K44-V46 PolarHBondContact O-N 2.88Å; K44-R47 PolarHBondContact O-N 3.01Å; K44-Q48 WeakPolarHBondContact O-CG 3.42Å; K44-Q48 PolarHBondContact O-N 3.3Å; K44-L85 HydrophobicContact CG-CD2 4Å
45S98.8Very high98.8Very high36 Ų3651.6 Ų51.625%0.25228%0.279SS..Hα-helixtrans-60.5-40.6178-174.60000111.9M11 G41 V42 L43 Q48 R49M11-S45 WeakPolarHBondContact CG-OG 3.38Å; G41-S45 WeakPolarHBondContact O-CB 3.41Å; G41-S45 PolarHBondContact O-N 3.4Å; V42-S45 PolarHBondContact O-N 3.37Å; L43-S45 PolarHBondContact O-N 3Å; S45-Q48 PolarHBondContact O-N 2.8Å; S45-R49 WeakPolarHBondContact O-CB 3.35Å; S45-R49 WeakPolarHBondContact O-CG 3.36Å; S45-R49 PolarHBondContact O-N 2.95Å
46V98.8Very high98.8Very high1 Ų151.6 Ų51.61%0.00628%0.279CS..Hα-helixtrans-69.8-44.1178.9171.50000111.1M11 L27 V42 L43 K44 Q48 R49 V50 V54 F87M11-V46 HydrophobicContact CB-CG2 3.67Å; M11-V46 HydrophobicContact CG-CG2 3.85Å; L27-V46 HydrophobicContact CD1-CG2 3.94Å; L27-V46 HydrophobicContact CD2-CB 3.99Å; L27-V46 HydrophobicContact CD2-CG1 4.18Å; L27-V46 HydrophobicContact CD2-CG2 3.73Å; L27-V46 HydrophobicContact CG-CG2 4.5Å; V42-V46 HydrophobicContact CG1-CG2 4.36Å; V42-V46 WeakPolarHBondContact O-CG2 3.2Å; V42-V46 PolarHBondContact O-N 3.23Å; L43-V46 PolarHBondContact O-N 2.9Å; K44-V46 VanDerWaalsContact C-N 3.31Å; K44-V46 PolarHBondContact O-N 2.88Å; V46-Q48 PolarHBondContact O-N 2.74Å; V46-Q48 VanDerWaalsContact O-N 3.12Å; V46-R49 PolarHBondContact O-N 3.43Å; V46-V50 HydrophobicContact CG1-CB 3.98Å; V46-V50 HydrophobicContact CG1-CG2 3.93Å; V46-V50 PolarHBondContact O-N 3.25Å; V46-V54 HydrophobicContact CG1-CB 4.31Å; V46-V54 HydrophobicContact CG1-CG1 3.97Å; V46-V54 HydrophobicContact CG1-CG2 3.84Å; V46-F87 HydrophobicContact CG1-CE1 4.42Å
47R98.5Very high98.8Very high95 Ų9550.3 Ų50.336%0.35827%0.272SS..Hα-helixtrans-55.7-31.6176.6-72.7-58.8-59.3116.7-3.2113.7L43 K44 L85 G86 F87L43-R47 WeakPolarHBondContact O-CG 3.3Å; L43-R47 PolarHBondContact O-N 3.34Å; K44-R47 PolarHBondContact O-N 3.01Å; R47-L85 HydrophobicContact CG-CB 4.4Å; R47-L85 PolarHBondContact NE-O 3.43Å; R47-G86 PolarHBondContact NE-O 3.4Å; R47-G86 PolarHBondContact NH2-O 3.12Å; R47-F87 VanDerWaalsContact CD-CE1 3.41Å; R47-F87 VanDerWaalsContact CD-CZ 3.47Å; R47-F87 HydrophobicContact CG-CD1 4.43Å; R47-F87 HydrophobicContact CG-CD2 4.15Å; R47-F87 HydrophobicContact CG-CE1 3.88Å; R47-F87 HydrophobicContact CG-CE2 3.56Å; R47-F87 HydrophobicContact CG-CZ 3.43Å; R47-F87 VanDerWaalsContact CG-CZ 3.43Å
48Q98.5Very high98.8Very high157 Ų15749 Ų4973%0.73426%0.264SS*.Hα-helixtrans-83.2-17.6179.7-69.9174.5-9.800114.2K44 S45 V46K44-Q48 WeakPolarHBondContact O-CG 3.42Å; K44-Q48 PolarHBondContact O-N 3.3Å; S45-Q48 PolarHBondContact O-N 2.8Å; V46-Q48 PolarHBondContact O-N 2.74Å; V46-Q48 VanDerWaalsContact O-N 3.12Å
49R98.7Very high98.8Very high142 Ų14249.7 Ų49.754%0.53627%0.266SS..Hα-helixtrans-124-23.1-165.2-59.2-63.7-70.9-92.9-2.6114.2M11 S45 V46M11-R49 HydrophobicContact CE-CG 4.48Å; M11-R49 HydrophobicContact CG-CB 4.14Å; M11-R49 HydrophobicContact CG-CG 4.41Å; M11-R49 HydrophobicContact SD-CB 3.73Å; M11-R49 HydrophobicContact SD-CG 3.95Å; S45-R49 WeakPolarHBondContact O-CB 3.35Å; S45-R49 WeakPolarHBondContact O-CG 3.36Å; S45-R49 PolarHBondContact O-N 2.95Å; V46-R49 PolarHBondContact O-N 3.43Å
50V98.8Very high98.8Very high4 Ų448.2 Ų48.22%0.02426%0.255CS..  trans-113.2131.1-178.1-175.80000109.1A14 V46 I52 V54A14-V50 HydrophobicContact CB-CG2 3.84Å; V46-V50 HydrophobicContact CG1-CB 3.98Å; V46-V50 HydrophobicContact CG1-CG2 3.93Å; V46-V50 PolarHBondContact O-N 3.25Å; V50-I52 HydrophobicContact CG1-CG1 3.69Å; V50-V54 HydrophobicContact CB-CG2 4.17Å; V50-V54 HydrophobicContact CG1-CG2 3.66Å
51T98.7Very high98.8Very high123 Ų12347.4 Ų47.476%0.75525%0.246SC*.  trans-105.6-27.7-174.354.40000113.3Q18Q18-T51 PolarHBondContact NE2-OG1 3.37Å; Q18-T51 PolarHBondContact OE1-OG1 2.96Å
52I98.9Very high98.8Very high35 Ų3545.7 Ų45.718%0.17923%0.228CC..SBendtrans-65.2158.917160.3171.8000110.5Q18 A22 V25 V50 V54Q18-I52 HydrophobicContact CB-CD1 3.75Å; Q18-I52 HydrophobicContact CB-CG1 4.02Å; Q18-I52 HydrophobicContact CG-CD1 4.26Å; Q18-I52 HydrophobicContact CG-CG1 4.15Å; Q18-I52 HydrophobicContact CG-CG2 3.91Å; A22-I52 HydrophobicContact CB-CD1 4.24Å; A22-I52 WeakPolarHBondContact O-CD1 3.24Å; V25-I52 HydrophobicContact CG2-CD1 3.8Å; V50-I52 HydrophobicContact CG1-CG1 3.69Å; I52-V54 PolarHBondContact O-N 3.04Å
53P98.9Very high98.8Very high58 Ų5846 Ų4638%0.37724%0.24SC..  trans-52.8130.5173.5-28.136.2000112.1R24 V25 P88R24-P53 WeakPolarHBondContact CA-O 3.41Å; R24-P53 HydrophobicContact CG-CB 4.04Å; R24-P53 WeakPolarHBondContact CG-O 3.47Å; V25-P53 PolarHBondContact N-O 3.45Å; P53-P88 HydrophobicContact CB-CG 3.89Å
54V98.9Very high98.7Very high3 Ų349.7 Ų49.72%0.01826%0.26CS..EExtended strand (participates in β ladder)trans-120.9132.6173.9-178.20000108.4V25 L27 V46 V50 I52 F87 P88V25-V54 HydrophobicContact CB-CG2 4.31Å; V25-V54 HydrophobicContact CG1-CG1 4.28Å; V25-V54 CarbonylContact O-C 3.6Å; V25-V54 VanDerWaalsContact O-CA 3.3Å; V25-V54 WeakPolarHBondContact O-CA 3.37Å; L27-V54 HydrophobicContact CB-CG1 3.66Å; L27-V54 HydrophobicContact CD2-CG1 4.3Å; V46-V54 HydrophobicContact CG1-CB 4.31Å; V46-V54 HydrophobicContact CG1-CG1 3.97Å; V46-V54 HydrophobicContact CG1-CG2 3.84Å; V50-V54 HydrophobicContact CB-CG2 4.17Å; V50-V54 HydrophobicContact CG1-CG2 3.66Å; I52-V54 PolarHBondContact O-N 3.04Å; V54-F87 HydrophobicContact CB-CD1 3.95Å; V54-F87 HydrophobicContact CB-CE1 3.97Å; V54-F87 HydrophobicContact CG1-CD1 4.13Å; V54-F87 HydrophobicContact CG1-CE1 3.83Å; V54-P88 WeakPolarHBondContact O-CD 3.47Å
55H99Very high98.7Very high5 Ų545.9 Ų45.92%0.02324%0.243CC..EExtended strand (participates in β ladder)trans-119.997.7177.5-66.613.3000108.5V25 E26 L27 V91 R144V25-H55 PolarHBondContact O-N 3.15Å; E26-H55 WeakPolarHBondContact CA-O 3.47Å; L27-H55 PolarHBondContact N-O 3.23Å; H55-V91 HydrophobicContact CB-CG2 3.8Å; H55-R144 PolarHBondContact NE2-NH1 3.26Å
56P99Very high98.7Very high0 Ų046.4 Ų46.40%025%0.247CC..EExtended strand (participates in β ladder)trans-65140.5175.7-21.234000111.7L27 L43 V82 F87 G89 L90 V91L27-P56 HydrophobicContact CB-CB 4.48Å; L27-P56 WeakPolarHBondContact O-CA 3.43Å; L43-P56 HydrophobicContact CD2-CB 3.67Å; L43-P56 HydrophobicContact CD2-CG 3.69Å; P56-V82 HydrophobicContact CB-CG2 4.15Å; P56-V82 HydrophobicContact CG-CG1 4.05Å; P56-V82 HydrophobicContact CG-CG2 4.2Å; P56-F87 HydrophobicContact CG-CD1 3.6Å; P56-F87 HydrophobicContact CG-CD2 3.95Å; P56-F87 HydrophobicContact CG-CE1 3.58Å; P56-F87 HydrophobicContact CG-CE2 3.93Å; P56-F87 HydrophobicContact CG-CG 3.78Å; P56-F87 HydrophobicContact CG-CZ 3.73Å; P56-G89 WeakPolarHBondContact CD-O 3.46Å; P56-L90 CarbonylContact O-C 3.57Å; P56-L90 WeakPolarHBondContact O-CA 3.44Å; P56-V91 PolarHBondContact O-N 2.9Å
57I98.9Very high98.7Very high5 Ų546.7 Ų46.73%0.02625%0.248CC..BIsolated β-bridgetrans-73.6143.3169.2-162.5170000110.3L27 C28 L36 T37 P38 R59 V91L27-I57 PolarHBondContact O-N 3.33Å; C28-I57 HydrophobicContact CB-CG2 4.13Å; C28-I57 VanDerWaalsContact SG-CG2 3.57Å; L36-I57 VanDerWaalsContact C-CG2 3.41Å; L36-I57 WeakPolarHBondContact O-CG2 3.44Å; T37-I57 WeakPolarHBondContact CA-O 3.27Å; P38-I57 WeakPolarHBondContact CD-O 3.23Å; I57-R59 HydrophobicContact CD1-CB 4.17Å; I57-R59 HydrophobicContact CG1-CB 4.06Å; I57-V91 CarbonylContact C-O 3.42Å; I57-V91 VanDerWaalsContact CA-O 3.3Å; I57-V91 WeakPolarHBondContact CA-O 3.21Å; I57-V91 HydrophobicContact CB-CB 4.4Å; I57-V91 HydrophobicContact CG1-CB 4.33Å; I57-V91 HydrophobicContact CG1-CG1 4.38Å
58I99Very high98.8Very high0 Ų045 Ų450%025%0.251CS..  trans-118.292.4171.3-43.7-63.9000107.2T37 I75 D78 V79 V82 L90 V91 T92T37-I58 HydrophobicContact CG2-CD1 4.33Å; T37-I58 WeakPolarHBondContact OG1-CA 3.29Å; I58-I75 HydrophobicContact CG2-CB 4.24Å; I58-I75 HydrophobicContact CG2-CG1 4.28Å; I58-I75 HydrophobicContact CG2-CG2 3.9Å; I58-D78 HydrophobicContact CD1-CB 4.06Å; I58-D78 HydrophobicContact CG2-CB 3.83Å; I58-V79 HydrophobicContact CG1-CG2 4.1Å; I58-V79 HydrophobicContact CG2-CG2 4.21Å; I58-V82 HydrophobicContact CD1-CB 4.44Å; I58-V82 HydrophobicContact CD1-CG2 3.76Å; I58-L90 HydrophobicContact CG1-CB 4.34Å; I58-L90 HydrophobicContact CG1-CD1 4.27Å; I58-V91 PolarHBondContact N-O 3.31Å; I58-T92 PolarHBondContact O-OG1 3.38Å
59R98.9Very high98.8Very high19 Ų1943.5 Ų43.57%0.07225%0.248CC..  trans-147.7107.1-178.5-178.5161.5-179.9-104.56.1109E33 G35 L36 T37 I57 R61 G63E33-R59 PolarHBondContact O-NH1 3.35Å; G35-R59 WeakPolarHBondContact O-CD 3.35Å; G35-R59 PolarHBondContact O-NH1 3.15Å; G35-R59 VanDerWaalsContact O-NH1 3.07Å; L36-R59 WeakPolarHBondContact CA-O 3.41Å; L36-R59 HydrophobicContact CD2-CG 4.21Å; T37-R59 PolarHBondContact N-O 3.01Å; T37-R59 PolarHBondContact OG1-N 3.05Å; T37-R59 PolarHBondContact OG1-O 3.11Å; I57-R59 HydrophobicContact CD1-CB 4.17Å; I57-R59 HydrophobicContact CG1-CB 4.06Å; R59-R61 VanDerWaalsContact C-N 3.33Å; R59-R61 VanDerWaalsContact CG-O 3.27Å; R59-R61 WeakPolarHBondContact CG-O 3.06Å; R59-R61 PolarHBondContact NE-O 2.95Å; R59-R61 PolarHBondContact O-N 2.88Å; R59-G63 PolarHBondContact NH2-O 3.35Å
60P98.8Very high98.8Very high43 Ų4339.4 Ų39.428%0.27925%0.25SS..SBendtrans-74-22.9-169.528.2-34.7000113.4Y67 E71 I75P60-Y67 HydrophobicContact CG-CD1 4.08Å; P60-Y67 HydrophobicContact CG-CE1 4.02Å; P60-E71 HydrophobicContact CG-CB 4.14Å; P60-I75 HydrophobicContact CG-CD1 3.92Å; P60-I75 HydrophobicContact CG-CG1 3.95Å
61R98.7Very high98.8Very high66 Ų6641.5 Ų41.525%0.24926%0.259CS..SBendtrans-152166.1-179.860.5160.717492.2-2.2112.7L36 R59 D64 C66 E71L36-R61 WeakPolarHBondContact CD2-O 3.34Å; R59-R61 VanDerWaalsContact C-N 3.33Å; R59-R61 VanDerWaalsContact CG-O 3.27Å; R59-R61 WeakPolarHBondContact CG-O 3.06Å; R59-R61 PolarHBondContact NE-O 2.95Å; R59-R61 PolarHBondContact O-N 2.88Å; R61-D64 IonicContact CZ-OD1 3.59Å; R61-D64 IonicContact CZ-OD2 2.74Å; R61-D64 VanDerWaalsContact NH1-CG 3.34Å; R61-D64 PolarHBondContact NH1-O 3.27Å; R61-D64 IonicContact NH1-OD1 3.61Å; R61-D64 PolarHBondContact NH1-OD1 3.32Å; R61-D64 IonicContact NH1-OD2 3.54Å; R61-D64 PolarHBondContact NH1-OD2 3.04Å; R61-D64 IonicContact NH2-OD1 2.95Å; R61-D64 PolarHBondContact NH2-OD1 3.15Å; R61-D64 IonicContact NH2-OD2 3.74Å; R61-D64 PolarHBondContact NH2-OD2 3.24Å; R61-C66 PolarHBondContact NH2-O 3.07Å; R61-E71 WeakPolarHBondContact CD-OE1 3.34Å; R61-E71 IonicContact CZ-OE1 3.82Å; R61-E71 IonicContact NE-OE1 3.68Å; R61-E71 PolarHBondContact NE-OE1 3.26Å; R61-E71 IonicContact NE-OE2 2.68Å
62G98.2Very high98.8Very high14 Ų1436.2 Ų36.214%0.14423%0.226CC..SBendtrans-69.6-178.216700000113.1E33E33-G62 WeakPolarHBondContact OE2-CA 3.49Å
63G98.2Very high98.8Very high53 Ų5337.2 Ų37.255%0.54624%0.24SC..SBendtrans78.6-143.5-179.100000114R59R59-G63 PolarHBondContact NH2-O 3.35Å
64D98.7Very high98.8Very high81 Ų8136.6 Ų36.643%0.43324%0.24SC..  trans-66.5177.3-177.666.381.7000114R61 C66R61-D64 IonicContact CZ-OD1 3.59Å; R61-D64 IonicContact CZ-OD2 2.74Å; R61-D64 VanDerWaalsContact NH1-CG 3.34Å; R61-D64 PolarHBondContact NH1-O 3.27Å; R61-D64 IonicContact NH1-OD1 3.61Å; R61-D64 PolarHBondContact NH1-OD1 3.32Å; R61-D64 IonicContact NH1-OD2 3.54Å; R61-D64 PolarHBondContact NH1-OD2 3.04Å; R61-D64 IonicContact NH2-OD1 2.95Å; R61-D64 PolarHBondContact NH2-OD1 3.15Å; R61-D64 IonicContact NH2-OD2 3.74Å; R61-D64 PolarHBondContact NH2-OD2 3.24Å; D64-C66 PolarHBondContact OD1-N 3.17Å
65F98.9Very high98.8Very high23 Ų2336.5 Ų36.510%0.10124%0.239CC..SBendtrans-11618.7-178.9-50.8-82.6000112.4Y67 L95 H121 A123 M126F65-Y67 HydrophobicContact CB-CE2 4.46Å; F65-Y67 WeakPolarHBondContact CD1-OH 3.17Å; F65-L95 HydrophobicContact CB-CB 4.34Å; F65-L95 HydrophobicContact CB-CG 4.21Å; F65-L95 HydrophobicContact CD2-CD1 4.29Å; F65-L95 PolarHBondContact O-N 3.22Å; F65-H121 AromaticContact CD1-CE1 3.31Å; F65-H121 WeakPolarHBondContact CD1-CE1 3.49Å; F65-H121 AromaticContact CD1-NE2 3.55Å; F65-H121 AromaticContact CE1-CE1 3.27Å; F65-H121 WeakPolarHBondContact CE1-CE1 3.27Å; F65-H121 AromaticContact CE1-NE2 3.28Å; F65-H121 VanDerWaalsContact CE1-NE2 3.28Å; F65-H121 WeakPolarHBondContact CE1-NE2 3.34Å; F65-A123 HydrophobicContact CB-CB 4.18Å; F65-A123 HydrophobicContact CD1-CB 3.85Å; F65-A123 HydrophobicContact CD2-CB 3.59Å; F65-A123 HydrophobicContact CE1-CB 4.1Å; F65-A123 VanDerWaalsContact CE2-CA 3.5Å; F65-A123 HydrophobicContact CE2-CB 3.86Å; F65-A123 HydrophobicContact CG-CB 3.59Å; F65-A123 HydrophobicContact CZ-CB 4.11Å; F65-M126 HydrophobicContact CE2-CG 3.99Å
66C98.8Very high98.8Very high48 Ų4837.7 Ų37.732%0.32425%0.245SC..  trans-98.583.4177.3-179.60000108.9R61 D64 L95R61-C66 PolarHBondContact NH2-O 3.07Å; D64-C66 PolarHBondContact OD1-N 3.17Å; C66-L95 WeakPolarHBondContact CA-O 3.45Å
67Y98.8Very high98.8Very high6 Ų642 Ų422%0.02427%0.266CS..  trans-76.3149.8-172-56.4-58.9000113.1P60 F65 E71 I75 V94 R105P60-Y67 HydrophobicContact CG-CD1 4.08Å; P60-Y67 HydrophobicContact CG-CE1 4.02Å; F65-Y67 HydrophobicContact CB-CE2 4.46Å; F65-Y67 WeakPolarHBondContact CD1-OH 3.17Å; Y67-E71 HydrophobicContact CD1-CB 4.49Å; Y67-I75 HydrophobicContact CD1-CD1 4.35Å; Y67-I75 HydrophobicContact CD2-CD1 3.45Å; Y67-I75 VanDerWaalsContact CD2-CD1 3.45Å; Y67-I75 HydrophobicContact CE2-CD1 3.68Å; Y67-I75 HydrophobicContact CG-CD1 3.82Å; Y67-V94 HydrophobicContact CD2-CB 4.44Å; Y67-V94 HydrophobicContact CD2-CG1 3.95Å; Y67-V94 HydrophobicContact CD2-CG2 3.96Å; Y67-V94 HydrophobicContact CE2-CG1 4.46Å; Y67-V94 HydrophobicContact CE2-CG2 4Å; Y67-R105 PolarHBondContact O-NH1 2.93Å; Y67-R105 PolarHBondContact O-NH2 3.18Å
68S98.9Very high98.8Very high61 Ų6144.2 Ų44.243%0.42728%0.277SS..  trans-73.1167.4164.863.50000111.2G70 E71 F72S68-G70 VanDerWaalsContact C-N 3.29Å; S68-G70 PolarHBondContact O-N 3.28Å; S68-E71 WeakPolarHBondContact CB-OE2 3.3Å; S68-E71 PolarHBondContact N-OE2 3.07Å; S68-E71 PolarHBondContact O-N 3.31Å; S68-E71 VanDerWaalsContact OG-CD 3.28Å; S68-E71 VanDerWaalsContact OG-CG 3.29Å; S68-E71 WeakPolarHBondContact OG-CG 3.3Å; S68-E71 PolarHBondContact OG-N 2.92Å; S68-E71 PolarHBondContact OG-OE2 2.86Å; S68-F72 WeakPolarHBondContact O-CB 3.5Å; S68-F72 PolarHBondContact O-N 2.99Å
69D98.8Very high98.8Very high124 Ų12444.2 Ų44.266%0.66328%0.277SS*.Hα-helixtrans-65.5-33.2178.9-65-29.8000112.9F72 A73 R105D69-F72 PolarHBondContact O-N 3.02Å; D69-A73 WeakPolarHBondContact O-CB 3.08Å; D69-A73 PolarHBondContact O-N 2.86Å; D69-R105 IonicContact OD1-NH2 3Å; D69-R105 PolarHBondContact OD1-NH2 2.89Å
70G98.9Very high98.8Very high57 Ų5747.2 Ų47.259%0.58829%0.288SS*.Hα-helixtrans-66.1-44.2175.400000112.3S68 A73 A74S68-G70 VanDerWaalsContact C-N 3.29Å; S68-G70 PolarHBondContact O-N 3.28Å; G70-A73 PolarHBondContact O-N 3.45Å; G70-A74 PolarHBondContact O-N 2.82Å
71E98.9Very high98.8Very high47 Ų4746.4 Ų46.422%0.2228%0.283CS..Hα-helixtrans-64.5-42174.6-70.4165.8139.200111.2P60 R61 Y67 S68 A73 A74 I75P60-E71 HydrophobicContact CG-CB 4.14Å; R61-E71 WeakPolarHBondContact CD-OE1 3.34Å; R61-E71 IonicContact CZ-OE1 3.82Å; R61-E71 IonicContact NE-OE1 3.68Å; R61-E71 PolarHBondContact NE-OE1 3.26Å; R61-E71 IonicContact NE-OE2 2.68Å; Y67-E71 HydrophobicContact CD1-CB 4.49Å; S68-E71 WeakPolarHBondContact CB-OE2 3.3Å; S68-E71 PolarHBondContact N-OE2 3.07Å; S68-E71 PolarHBondContact O-N 3.31Å; S68-E71 VanDerWaalsContact OG-CD 3.28Å; S68-E71 VanDerWaalsContact OG-CG 3.29Å; S68-E71 WeakPolarHBondContact OG-CG 3.3Å; S68-E71 PolarHBondContact OG-N 2.92Å; S68-E71 PolarHBondContact OG-OE2 2.86Å; E71-A73 VanDerWaalsContact C-N 3.34Å; E71-A73 PolarHBondContact O-N 3.46Å; E71-A74 WeakPolarHBondContact O-CB 3.25Å; E71-A74 PolarHBondContact O-N 2.8Å; E71-I75 WeakPolarHBondContact O-CG1 3.4Å; E71-I75 PolarHBondContact O-N 3.4Å
72F98.9Very high98.8Very high12 Ų1243.3 Ų43.35%0.05327%0.271CS..Hα-helixtrans-66.9-34.8179.1-170.9-112.1000112.6S68 D69 A74 I75 L76 V94 R105 K108 I109S68-F72 WeakPolarHBondContact O-CB 3.5Å; S68-F72 PolarHBondContact O-N 2.99Å; D69-F72 PolarHBondContact O-N 3.02Å; F72-A74 VanDerWaalsContact C-N 3.33Å; F72-A74 PolarHBondContact O-N 2.98Å; F72-I75 HydrophobicContact CD2-CB 4.48Å; F72-I75 HydrophobicContact CD2-CD1 4.4Å; F72-I75 PolarHBondContact O-N 2.68Å; F72-L76 HydrophobicContact CD1-CD1 4.14Å; F72-L76 HydrophobicContact CD1-CG 4.41Å; F72-L76 HydrophobicContact CE1-CD1 3.65Å; F72-L76 HydrophobicContact CE1-CD2 4.28Å; F72-L76 HydrophobicContact CE1-CG 3.97Å; F72-L76 HydrophobicContact CE2-CD2 4.42Å; F72-L76 HydrophobicContact CE2-CG 4.47Å; F72-L76 HydrophobicContact CZ-CD1 4.11Å; F72-L76 HydrophobicContact CZ-CD2 3.87Å; F72-L76 HydrophobicContact CZ-CG 3.99Å; F72-L76 WeakPolarHBondContact O-CG 3.42Å; F72-L76 PolarHBondContact O-N 2.78Å; F72-V94 HydrophobicContact CE2-CG2 4.47Å; F72-R105 HydrophobicContact CD1-CG 4.17Å; F72-R105 HydrophobicContact CD2-CB 4.25Å; F72-R105 HydrophobicContact CD2-CG 4.18Å; F72-R105 HydrophobicContact CE1-CB 4.2Å; F72-R105 HydrophobicContact CE1-CG 3.83Å; F72-R105 HydrophobicContact CE2-CB 3.54Å; F72-R105 HydrophobicContact CE2-CG 3.85Å; F72-R105 HydrophobicContact CG-CG 4.34Å; F72-R105 HydrophobicContact CZ-CB 3.52Å; F72-R105 HydrophobicContact CZ-CG 3.67Å; F72-R105 VanDerWaalsContact CZ-O 3.31Å; F72-R105 WeakPolarHBondContact CZ-O 3.45Å; F72-K108 HydrophobicContact CE1-CB 4.32Å; F72-K108 HydrophobicContact CE1-CD 3.81Å; F72-K108 HydrophobicContact CZ-CB 4.02Å; F72-K108 HydrophobicContact CZ-CD 4.24Å; F72-I109 HydrophobicContact CE2-CD1 3.89Å; F72-I109 HydrophobicContact CE2-CG1 3.91Å; F72-I109 HydrophobicContact CZ-CG1 4.29Å
73A98.9Very high98.9Very high57 Ų5746.6 Ų46.647%0.47128%0.279SS..Hα-helixtrans-61.3-41.5172.100000111.9D69 G70 E71 L76 E77D69-A73 WeakPolarHBondContact O-CB 3.08Å; D69-A73 PolarHBondContact O-N 2.86Å; G70-A73 PolarHBondContact O-N 3.45Å; E71-A73 VanDerWaalsContact C-N 3.34Å; E71-A73 PolarHBondContact O-N 3.46Å; A73-L76 PolarHBondContact O-N 3.32Å; A73-E77 PolarHBondContact O-N 2.82Å
74A98.9Very high98.9Very high45 Ų4550.2 Ų50.237%0.37228%0.282SS..Hα-helixtrans-65.1-44.2174.400000111.9G70 E71 F72 L76 E77 D78G70-A74 PolarHBondContact O-N 2.82Å; E71-A74 WeakPolarHBondContact O-CB 3.25Å; E71-A74 PolarHBondContact O-N 2.8Å; F72-A74 VanDerWaalsContact C-N 3.33Å; F72-A74 PolarHBondContact O-N 2.98Å; A74-L76 VanDerWaalsContact C-N 3.3Å; A74-L76 PolarHBondContact O-N 3.09Å; A74-E77 PolarHBondContact O-N 2.99Å; A74-D78 PolarHBondContact O-N 2.99Å
75I98.9Very high98.9Very high0 Ų048.5 Ų48.50%027%0.272CS..Hα-helixtrans-53.4-48174.7-72.4169.6000110.9I58 P60 Y67 E71 F72 E77 D78 V79 I109I58-I75 HydrophobicContact CG2-CB 4.24Å; I58-I75 HydrophobicContact CG2-CG1 4.28Å; I58-I75 HydrophobicContact CG2-CG2 3.9Å; P60-I75 HydrophobicContact CG-CD1 3.92Å; P60-I75 HydrophobicContact CG-CG1 3.95Å; Y67-I75 HydrophobicContact CD1-CD1 4.35Å; Y67-I75 HydrophobicContact CD2-CD1 3.45Å; Y67-I75 VanDerWaalsContact CD2-CD1 3.45Å; Y67-I75 HydrophobicContact CE2-CD1 3.68Å; Y67-I75 HydrophobicContact CG-CD1 3.82Å; E71-I75 WeakPolarHBondContact O-CG1 3.4Å; E71-I75 PolarHBondContact O-N 3.4Å; F72-I75 HydrophobicContact CD2-CB 4.48Å; F72-I75 HydrophobicContact CD2-CD1 4.4Å; F72-I75 PolarHBondContact O-N 2.68Å; I75-E77 VanDerWaalsContact C-N 3.29Å; I75-E77 PolarHBondContact O-N 2.98Å; I75-D78 PolarHBondContact O-N 3.38Å; I75-V79 HydrophobicContact CG2-CG2 4.39Å; I75-V79 WeakPolarHBondContact O-CB 3.5Å; I75-V79 VanDerWaalsContact O-CG2 3.26Å; I75-V79 WeakPolarHBondContact O-CG2 3.32Å; I75-V79 PolarHBondContact O-N 3.32Å; I75-I109 HydrophobicContact CG2-CD1 3.92Å; I75-I109 HydrophobicContact CG2-CG1 4.08Å
76L99Very high98.9Very high30 Ų3049.3 Ų49.316%0.15729%0.288CS..Hα-helixtrans-64.3-34.4-179.7-68.8179.1000112.6F72 A73 A74 R80 K108 I109 A112F72-L76 HydrophobicContact CD1-CD1 4.14Å; F72-L76 HydrophobicContact CD1-CG 4.41Å; F72-L76 HydrophobicContact CE1-CD1 3.65Å; F72-L76 HydrophobicContact CE1-CD2 4.28Å; F72-L76 HydrophobicContact CE1-CG 3.97Å; F72-L76 HydrophobicContact CE2-CD2 4.42Å; F72-L76 HydrophobicContact CE2-CG 4.47Å; F72-L76 HydrophobicContact CZ-CD1 4.11Å; F72-L76 HydrophobicContact CZ-CD2 3.87Å; F72-L76 HydrophobicContact CZ-CG 3.99Å; F72-L76 WeakPolarHBondContact O-CG 3.42Å; F72-L76 PolarHBondContact O-N 2.78Å; A73-L76 PolarHBondContact O-N 3.32Å; A74-L76 VanDerWaalsContact C-N 3.3Å; A74-L76 PolarHBondContact O-N 3.09Å; L76-R80 WeakPolarHBondContact O-CG 3.45Å; L76-R80 VanDerWaalsContact O-CZ 3.27Å; L76-R80 PolarHBondContact O-N 3.45Å; L76-R80 PolarHBondContact O-NH1 2.92Å; L76-R80 VanDerWaalsContact O-NH1 3.15Å; L76-K108 HydrophobicContact CD1-CB 4.49Å; L76-K108 HydrophobicContact CD2-CB 4.01Å; L76-I109 HydrophobicContact CD2-CG1 4.07Å; L76-A112 HydrophobicContact CD2-CB 4.33Å
77E98.9Very high98.9Very high92 Ų9247.2 Ų47.243%0.4327%0.273SS..Hα-helixtrans-70.5-42.6175.1-175.660-160.900112.3A73 A74 I75 V79 R80 T81A73-E77 PolarHBondContact O-N 2.82Å; A74-E77 PolarHBondContact O-N 2.99Å; I75-E77 VanDerWaalsContact C-N 3.29Å; I75-E77 PolarHBondContact O-N 2.98Å; E77-V79 VanDerWaalsContact C-N 3.33Å; E77-V79 PolarHBondContact O-N 3.5Å; E77-R80 VanDerWaalsContact CA-NH2 3.34Å; E77-R80 PolarHBondContact O-N 3.25Å; E77-R80 IonicContact OE2-CZ 2.82Å; E77-R80 IonicContact OE2-NE 3.38Å; E77-R80 PolarHBondContact OE2-NE 3.08Å; E77-R80 IonicContact OE2-NH2 2.92Å; E77-R80 PolarHBondContact OE2-NH2 3.09Å; E77-T81 WeakPolarHBondContact O-CB 3.42Å; E77-T81 PolarHBondContact O-N 3.12Å; E77-T81 PolarHBondContact O-OG1 3.36Å
78D99Very high98.9Very high50 Ų5050 Ų5027%0.26729%0.292SS..Hα-helixtrans-64.7-38.4176.3-74.8-35.3000111.5T37 I58 A74 I75 T81 V82T37-D78 HydrophobicContact CG2-CB 4.25Å; I58-D78 HydrophobicContact CD1-CB 4.06Å; I58-D78 HydrophobicContact CG2-CB 3.83Å; A74-D78 PolarHBondContact O-N 2.99Å; I75-D78 PolarHBondContact O-N 3.38Å; D78-T81 WeakPolarHBondContact O-CB 3.2Å; D78-T81 PolarHBondContact O-N 3.5Å; D78-V82 WeakPolarHBondContact O-CB 3.06Å; D78-V82 WeakPolarHBondContact O-CG2 3.34Å; D78-V82 PolarHBondContact O-N 3.02Å
79V99Very high98.9Very high0 Ų047.1 Ų47.10%027%0.271CS..Hα-helixtrans-59.7-47.3173.1167.90000111.1I58 I75 E77 T81 V82 R83 L90 I109 A112 A113I58-V79 HydrophobicContact CG1-CG2 4.1Å; I58-V79 HydrophobicContact CG2-CG2 4.21Å; I75-V79 HydrophobicContact CG2-CG2 4.39Å; I75-V79 WeakPolarHBondContact O-CB 3.5Å; I75-V79 VanDerWaalsContact O-CG2 3.26Å; I75-V79 WeakPolarHBondContact O-CG2 3.32Å; I75-V79 PolarHBondContact O-N 3.32Å; E77-V79 VanDerWaalsContact C-N 3.33Å; E77-V79 PolarHBondContact O-N 3.5Å; V79-T81 VanDerWaalsContact C-N 3.34Å; V79-T81 PolarHBondContact O-N 3.23Å; V79-V82 PolarHBondContact O-N 3.41Å; V79-R83 PolarHBondContact O-N 2.9Å; V79-L90 HydrophobicContact CB-CD2 4.34Å; V79-L90 HydrophobicContact CG1-CD2 3.82Å; V79-L90 HydrophobicContact CG2-CD2 4.14Å; V79-I109 HydrophobicContact CG2-CG2 4.3Å; V79-A112 HydrophobicContact CB-CB 4.24Å; V79-A112 HydrophobicContact CG1-CB 3.55Å; V79-A113 HydrophobicContact CG1-CB 3.97Å; V79-A113 VanDerWaalsContact CG1-N 3.31Å
80R98.9Very high98.9Very high82 Ų8241.2 Ų41.231%0.30924%0.24SC..Hα-helixtrans-59.8-46.6175.8-75.6-175.8-70-84.96.7111.2L76 E77 V82 R83 E84 A112L76-R80 WeakPolarHBondContact O-CG 3.45Å; L76-R80 VanDerWaalsContact O-CZ 3.27Å; L76-R80 PolarHBondContact O-N 3.45Å; L76-R80 PolarHBondContact O-NH1 2.92Å; L76-R80 VanDerWaalsContact O-NH1 3.15Å; E77-R80 VanDerWaalsContact CA-NH2 3.34Å; E77-R80 PolarHBondContact O-N 3.25Å; E77-R80 IonicContact OE2-CZ 2.82Å; E77-R80 IonicContact OE2-NE 3.38Å; E77-R80 PolarHBondContact OE2-NE 3.08Å; E77-R80 IonicContact OE2-NH2 2.92Å; E77-R80 PolarHBondContact OE2-NH2 3.09Å; R80-V82 PolarHBondContact O-N 3.28Å; R80-R83 WeakPolarHBondContact O-CB 3.12Å; R80-R83 PolarHBondContact O-N 3.46Å; R80-E84 WeakPolarHBondContact O-CB 3.39Å; R80-E84 VanDerWaalsContact O-CG 3.25Å; R80-E84 WeakPolarHBondContact O-CG 3.5Å; R80-E84 PolarHBondContact O-N 3.15Å; R80-A112 HydrophobicContact CG-CB 4.35Å
81T98.9Very high98.9Very high27 Ų2738.5 Ų38.517%0.16621%0.212CC..Hα-helixtrans-58.5-46.6178.8-63.70000111.5L40 E77 D78 V79 R83 E84 L85L40-T81 HydrophobicContact CD1-CG2 3.81Å; E77-T81 WeakPolarHBondContact O-CB 3.42Å; E77-T81 PolarHBondContact O-N 3.12Å; E77-T81 PolarHBondContact O-OG1 3.36Å; D78-T81 WeakPolarHBondContact O-CB 3.2Å; D78-T81 PolarHBondContact O-N 3.5Å; V79-T81 VanDerWaalsContact C-N 3.34Å; V79-T81 PolarHBondContact O-N 3.23Å; T81-R83 PolarHBondContact O-N 3.26Å; T81-E84 PolarHBondContact O-N 3.27Å; T81-L85 HydrophobicContact CG2-CD1 3.92Å; T81-L85 HydrophobicContact CG2-CG 4.4Å; T81-L85 WeakPolarHBondContact O-CB 3.42Å; T81-L85 VanDerWaalsContact O-CG 3.24Å; T81-L85 WeakPolarHBondContact O-CG 3.46Å; T81-L85 PolarHBondContact O-N 3.24Å
82V98.9Very high98.9Very high0 Ų036.2 Ų36.20%020%0.201CC..Hα-helixtrans-64.2-41.1179.1166.30000111.7L43 P56 I58 D78 V79 R80 L85 F87 L90 L116L43-V82 HydrophobicContact CD1-CG2 4.04Å; P56-V82 HydrophobicContact CB-CG2 4.15Å; P56-V82 HydrophobicContact CG-CG1 4.05Å; P56-V82 HydrophobicContact CG-CG2 4.2Å; I58-V82 HydrophobicContact CD1-CB 4.44Å; I58-V82 HydrophobicContact CD1-CG2 3.76Å; D78-V82 WeakPolarHBondContact O-CB 3.06Å; D78-V82 WeakPolarHBondContact O-CG2 3.34Å; D78-V82 PolarHBondContact O-N 3.02Å; V79-V82 PolarHBondContact O-N 3.41Å; R80-V82 PolarHBondContact O-N 3.28Å; V82-L85 PolarHBondContact O-N 3.14Å; V82-F87 HydrophobicContact CB-CD2 4.37Å; V82-F87 HydrophobicContact CG1-CB 3.76Å; V82-F87 HydrophobicContact CG1-CD2 3.81Å; V82-F87 HydrophobicContact CG1-CG 4.02Å; V82-F87 WeakPolarHBondContact O-CD2 3.05Å; V82-F87 PolarHBondContact O-N 2.95Å; V82-L90 HydrophobicContact CG1-CB 4.06Å; V82-L116 HydrophobicContact CG1-CD2 4.09Å
83R98.8Very high98.9Very high84 Ų8435.7 Ų35.732%0.31720%0.199SC..Hα-helixtrans-60.5-48.1172.1176.7-17070.9-174.84.8111.7V79 R80 T81 L85 G86 A112 A113 L116V79-R83 PolarHBondContact O-N 2.9Å; R80-R83 WeakPolarHBondContact O-CB 3.12Å; R80-R83 PolarHBondContact O-N 3.46Å; T81-R83 PolarHBondContact O-N 3.26Å; R83-L85 VanDerWaalsContact C-N 3.3Å; R83-L85 PolarHBondContact O-N 3.5Å; R83-G86 PolarHBondContact O-N 3.3Å; R83-A112 WeakPolarHBondContact CD-O 3.37Å; R83-A112 PolarHBondContact NH1-O 2.81Å; R83-A113 WeakPolarHBondContact CD-O 3.47Å; R83-L116 HydrophobicContact CB-CD1 4Å; R83-L116 HydrophobicContact CB-CD2 4.05Å; R83-L116 HydrophobicContact CG-CD1 3.75Å
84E98.8Very high98.9Very high129 Ų12933 Ų3360%0.60318%0.177SC*.Hα-helixtrans-65.4-31-177.4-73.8165.2-160.600113.1R80 T81 G86R80-E84 WeakPolarHBondContact O-CB 3.39Å; R80-E84 VanDerWaalsContact O-CG 3.25Å; R80-E84 WeakPolarHBondContact O-CG 3.5Å; R80-E84 PolarHBondContact O-N 3.15Å; T81-E84 PolarHBondContact O-N 3.27Å; E84-G86 PolarHBondContact O-N 3.37Å
85L98.8Very high98.9Very high44 Ų4431.2 Ų31.223%0.2316%0.161CC..THydrogen-bonded Turntrans-74.5-4172.7-69173.5000113.5L40 L43 K44 R47 T81 V82 R83 F87L40-L85 HydrophobicContact CD1-CD1 3.78Å; L43-L85 HydrophobicContact CB-CD1 3.83Å; L43-L85 HydrophobicContact CD1-CD1 4.12Å; K44-L85 HydrophobicContact CG-CD2 4Å; R47-L85 HydrophobicContact CG-CB 4.4Å; R47-L85 PolarHBondContact NE-O 3.43Å; T81-L85 HydrophobicContact CG2-CD1 3.92Å; T81-L85 HydrophobicContact CG2-CG 4.4Å; T81-L85 WeakPolarHBondContact O-CB 3.42Å; T81-L85 VanDerWaalsContact O-CG 3.24Å; T81-L85 WeakPolarHBondContact O-CG 3.46Å; T81-L85 PolarHBondContact O-N 3.24Å; V82-L85 PolarHBondContact O-N 3.14Å; R83-L85 VanDerWaalsContact C-N 3.3Å; R83-L85 PolarHBondContact O-N 3.5Å; L85-F87 HydrophobicContact CB-CD2 3.91Å; L85-F87 HydrophobicContact CB-CE2 3.89Å; L85-F87 HydrophobicContact CD1-CE2 4.08Å
86G98.5Very high98.9Very high41 Ų4133.6 Ų33.642%0.42317%0.174SC..THydrogen-bonded Turntrans73.732.117500000113.8R47 R83 E84R47-G86 PolarHBondContact NE-O 3.4Å; R47-G86 PolarHBondContact NH2-O 3.12Å; R83-G86 PolarHBondContact O-N 3.3Å; E84-G86 PolarHBondContact O-N 3.37Å
87F98.9Very high98.9Very high4 Ų438.1 Ų38.12%0.01820%0.202CC..  trans-69.6143.1165.2-72-84.2000109.9L43 V46 R47 V54 P56 V82 L85 G89 L116L43-F87 HydrophobicContact CB-CE2 4.01Å; L43-F87 HydrophobicContact CB-CZ 4.06Å; L43-F87 HydrophobicContact CD2-CE2 4.05Å; L43-F87 HydrophobicContact CD2-CZ 3.91Å; L43-F87 WeakPolarHBondContact O-CZ 3.24Å; V46-F87 HydrophobicContact CG1-CE1 4.42Å; R47-F87 VanDerWaalsContact CD-CE1 3.41Å; R47-F87 VanDerWaalsContact CD-CZ 3.47Å; R47-F87 HydrophobicContact CG-CD1 4.43Å; R47-F87 HydrophobicContact CG-CD2 4.15Å; R47-F87 HydrophobicContact CG-CE1 3.88Å; R47-F87 HydrophobicContact CG-CE2 3.56Å; R47-F87 HydrophobicContact CG-CZ 3.43Å; R47-F87 VanDerWaalsContact CG-CZ 3.43Å; V54-F87 HydrophobicContact CB-CD1 3.95Å; V54-F87 HydrophobicContact CB-CE1 3.97Å; V54-F87 HydrophobicContact CG1-CD1 4.13Å; V54-F87 HydrophobicContact CG1-CE1 3.83Å; P56-F87 HydrophobicContact CG-CD1 3.6Å; P56-F87 HydrophobicContact CG-CD2 3.95Å; P56-F87 HydrophobicContact CG-CE1 3.58Å; P56-F87 HydrophobicContact CG-CE2 3.93Å; P56-F87 HydrophobicContact CG-CG 3.78Å; P56-F87 HydrophobicContact CG-CZ 3.73Å; V82-F87 HydrophobicContact CB-CD2 4.37Å; V82-F87 HydrophobicContact CG1-CB 3.76Å; V82-F87 HydrophobicContact CG1-CD2 3.81Å; V82-F87 HydrophobicContact CG1-CG 4.02Å; V82-F87 WeakPolarHBondContact O-CD2 3.05Å; V82-F87 PolarHBondContact O-N 2.95Å; L85-F87 HydrophobicContact CB-CD2 3.91Å; L85-F87 HydrophobicContact CB-CE2 3.89Å; L85-F87 HydrophobicContact CD1-CE2 4.08Å; F87-G89 VanDerWaalsContact C-N 3.25Å; F87-G89 PolarHBondContact O-N 3.45Å; F87-L116 WeakPolarHBondContact O-CG 3.35Å
88P98.8Very high98.8Very high64 Ų6439.6 Ų39.642%0.41621%0.213SC..SBendtrans-77-9.6179.829.9-35.5000114P53 V54 A117P53-P88 HydrophobicContact CB-CG 3.89Å; V54-P88 WeakPolarHBondContact O-CD 3.47Å; P88-A117 PolarHBondContact O-N 3.16Å
89G98.9Very high98.8Very high0 Ų037.9 Ų37.90%021%0.207CC..EExtended strand (participates in β ladder)trans-168.8175.7-178.800000112.1P56 F87 A117P56-G89 WeakPolarHBondContact CD-O 3.46Å; F87-G89 VanDerWaalsContact C-N 3.25Å; F87-G89 PolarHBondContact O-N 3.45Å; G89-A117 CarbonylContact C-O 3.58Å; G89-A117 WeakPolarHBondContact CA-O 3.44Å
90L98.9Very high98.8Very high0 Ų040.1 Ų40.10%022%0.219CC..EExtended strand (participates in β ladder)trans-149164.2176.764.286000110.2P56 I58 V79 V82 T92 A113 L116 A117 V118 T119P56-L90 CarbonylContact O-C 3.57Å; P56-L90 WeakPolarHBondContact O-CA 3.44Å; I58-L90 HydrophobicContact CG1-CB 4.34Å; I58-L90 HydrophobicContact CG1-CD1 4.27Å; V79-L90 HydrophobicContact CB-CD2 4.34Å; V79-L90 HydrophobicContact CG1-CD2 3.82Å; V79-L90 HydrophobicContact CG2-CD2 4.14Å; V82-L90 HydrophobicContact CG1-CB 4.06Å; L90-T92 HydrophobicContact CD1-CG2 3.76Å; L90-A113 HydrophobicContact CD2-CB 3.99Å; L90-L116 HydrophobicContact CD2-CD2 4Å; L90-A117 PolarHBondContact N-O 3.28Å; L90-A117 VanDerWaalsContact N-O 3.12Å; L90-V118 HydrophobicContact CD1-CB 4.46Å; L90-V118 HydrophobicContact CD1-CG1 3.89Å; L90-V118 HydrophobicContact CD1-CG2 4.08Å; L90-V118 HydrophobicContact CG-CG2 4.19Å; L90-V118 WeakPolarHBondContact O-CA 3.47Å; L90-T119 PolarHBondContact O-N 3.18Å
91V99Very high98.8Very high0 Ų036.5 Ų36.50%021%0.206CC..EExtended strand (participates in β ladder)trans-123.9127.7-179.1-175.50000110E26 H55 P56 I57 I58 T119 H121E26-V91 HydrophobicContact CG-CG2 3.98Å; E26-V91 WeakPolarHBondContact OE1-CG1 3.5Å; H55-V91 HydrophobicContact CB-CG2 3.8Å; P56-V91 PolarHBondContact O-N 2.9Å; I57-V91 CarbonylContact C-O 3.42Å; I57-V91 VanDerWaalsContact CA-O 3.3Å; I57-V91 WeakPolarHBondContact CA-O 3.21Å; I57-V91 HydrophobicContact CB-CB 4.4Å; I57-V91 HydrophobicContact CG1-CB 4.33Å; I57-V91 HydrophobicContact CG1-CG1 4.38Å; I58-V91 PolarHBondContact N-O 3.31Å; V91-T119 WeakPolarHBondContact CA-O 3.49Å; V91-T119 HydrophobicContact CG1-CG2 4.04Å; V91-T119 HydrophobicContact CG2-CG2 4.33Å; V91-H121 HydrophobicContact CG1-CB 3.56Å
92T98.9Very high98.8Very high0 Ų036.4 Ų36.40%021%0.205CC..EExtended strand (participates in β ladder)trans-162.5-178.3-180-1660000111I58 L90 I109 V118 T119 F120 H121I58-T92 PolarHBondContact O-OG1 3.38Å; L90-T92 HydrophobicContact CD1-CG2 3.76Å; T92-I109 HydrophobicContact CG2-CD1 4.24Å; T92-I109 HydrophobicContact CG2-CG2 3.76Å; T92-V118 HydrophobicContact CG2-CG1 4.26Å; T92-T119 PolarHBondContact N-O 2.98Å; T92-T119 VanDerWaalsContact O-O 3.13Å; T92-F120 CarbonylContact O-C 3.45Å; T92-F120 VanDerWaalsContact O-CA 3.27Å; T92-F120 WeakPolarHBondContact O-CA 3.5Å; T92-H121 PolarHBondContact O-N 2.91Å; T92-H121 PolarHBondContact O-ND1 2.95Å
93G98.8Very high98.8Very high0 Ų038.1 Ų38.10%021%0.213CC..  trans174.8138.9171.700000111.7H121G93-H121 VanDerWaalsContact CA-CE1 3.44Å; G93-H121 WeakPolarHBondContact CA-CE1 3.35Å; G93-H121 PolarHBondContact N-CE1 2.97Å; G93-H121 VanDerWaalsContact N-CE1 3.28Å; G93-H121 PolarHBondContact O-CE1 3.22Å
94V98.9Very high98.8Very high0 Ų037.8 Ų37.80%022%0.222CC..  trans-126.9132.8-177.8-169.60000109Y67 F72 D102 R105 M106 I109Y67-V94 HydrophobicContact CD2-CB 4.44Å; Y67-V94 HydrophobicContact CD2-CG1 3.95Å; Y67-V94 HydrophobicContact CD2-CG2 3.96Å; Y67-V94 HydrophobicContact CE2-CG1 4.46Å; Y67-V94 HydrophobicContact CE2-CG2 4Å; F72-V94 HydrophobicContact CE2-CG2 4.47Å; V94-D102 HydrophobicContact CB-CB 4.18Å; V94-D102 HydrophobicContact CG1-CB 3.74Å; V94-D102 PolarHBondContact O-N 3Å; V94-D102 VanDerWaalsContact O-N 3.12Å; V94-R105 HydrophobicContact CB-CB 4.48Å; V94-R105 HydrophobicContact CG1-CB 4.17Å; V94-M106 HydrophobicContact CB-CG 4.47Å; V94-M106 HydrophobicContact CB-SD 4.18Å; V94-M106 HydrophobicContact CG2-SD 4.01Å; V94-I109 HydrophobicContact CG2-CD1 3.6Å
95L98.9Very high98.8Very high9 Ų933.3 Ų33.35%0.04720%0.199CC..BIsolated β-bridgetrans-119.3154.1174.4-58.6-179.8000110.5F65 C66 N100 V101 F120 A123 M126 C127F65-L95 HydrophobicContact CB-CB 4.34Å; F65-L95 HydrophobicContact CB-CG 4.21Å; F65-L95 HydrophobicContact CD2-CD1 4.29Å; F65-L95 PolarHBondContact O-N 3.22Å; C66-L95 WeakPolarHBondContact CA-O 3.45Å; L95-N100 CarbonylContact C-O 3.4Å; L95-N100 WeakPolarHBondContact CA-O 3.47Å; L95-N100 WeakPolarHBondContact CB-O 3.47Å; L95-N100 WeakPolarHBondContact CD2-O 3.35Å; L95-V101 HydrophobicContact CD2-CG2 4.31Å; L95-F120 HydrophobicContact CD2-CZ 3.99Å; L95-A123 HydrophobicContact CD1-CB 4.27Å; L95-A123 WeakPolarHBondContact CD1-O 3.39Å; L95-A123 HydrophobicContact CG-CB 4.16Å; L95-M126 HydrophobicContact CD1-CB 4.16Å; L95-C127 HydrophobicContact CD1-CB 4.43Å; L95-C127 HydrophobicContact CD2-CB 4.07Å
96D98.8Very high98.8Very high50 Ų5031.2 Ų31.227%0.26719%0.188SC..  trans-82178.6164.370.421000111.7D98 G99 N100D96-D98 PolarHBondContact O-N 3.5Å; D96-D98 WeakPolarHBondContact OD1-CA 3.24Å; D96-D98 PolarHBondContact OD1-N 3.26Å; D96-G99 PolarHBondContact O-N 2.94Å; D96-G99 PolarHBondContact OD1-N 2.87Å; D96-N100 PolarHBondContact N-O 3.49Å; D96-N100 PolarHBondContact OD1-N 3.06Å; D96-N100 PolarHBondContact OD1-ND2 3.26Å; D96-N100 WeakPolarHBondContact OD2-CB 3.49Å; D96-N100 PolarHBondContact OD2-ND2 3.4Å
97V98.6Very high98.8Very high125 Ų12534.5 Ų34.576%0.75819%0.193SC*.THydrogen-bonded Turntrans-68.2-18.3-178.3-62.30000113.8G99V97-G99 VanDerWaalsContact C-N 3.34Å
98D98.6Very high98.8Very high123 Ų12339.9 Ų39.966%0.65822%0.216SC*.THydrogen-bonded Turntrans-94.42.6178.7-65.5-41.2000111.7D96 N100D96-D98 PolarHBondContact O-N 3.5Å; D96-D98 WeakPolarHBondContact OD1-CA 3.24Å; D96-D98 PolarHBondContact OD1-N 3.26Å; D98-N100 WeakPolarHBondContact CB-ND2 3.45Å
99G98.5Very high98.8Very high13 Ų1336.8 Ų36.813%0.13420%0.196CC..SBendtrans78.915.7179.600000113.6D96 V97 C127 A128D96-G99 PolarHBondContact O-N 2.94Å; D96-G99 PolarHBondContact OD1-N 2.87Å; V97-G99 VanDerWaalsContact C-N 3.34Å; G99-C127 CarbonylContact O-C 3.51Å; G99-C127 WeakPolarHBondContact O-CA 3.39Å; G99-C127 WeakPolarHBondContact O-CB 3.35Å; G99-A128 PolarHBondContact O-N 3.22Å
100N98.8Very high98.8Very high48 Ų4838.3 Ų38.326%0.25720%0.203SC..SBendtrans-85.8159.3170.5-45.4-71.4000109.9L95 D96 D98 D102L95-N100 CarbonylContact C-O 3.4Å; L95-N100 WeakPolarHBondContact CA-O 3.47Å; L95-N100 WeakPolarHBondContact CB-O 3.47Å; L95-N100 WeakPolarHBondContact CD2-O 3.35Å; D96-N100 PolarHBondContact N-O 3.49Å; D96-N100 PolarHBondContact OD1-N 3.06Å; D96-N100 PolarHBondContact OD1-ND2 3.26Å; D96-N100 WeakPolarHBondContact OD2-CB 3.49Å; D96-N100 PolarHBondContact OD2-ND2 3.4Å; D98-N100 WeakPolarHBondContact CB-ND2 3.45Å; N100-D102 PolarHBondContact O-N 3.36Å
101V98.7Very high98.8Very high5 Ų541.9 Ų41.93%0.0323%0.233CC..BIsolated β-bridgetrans-63.1127.6169.9176.70000108.8L95 M103 M106 F120 T133 L137 L140L95-V101 HydrophobicContact CD2-CG2 4.31Å; V101-M103 VanDerWaalsContact C-N 3.3Å; V101-M103 HydrophobicContact CB-SD 4.35Å; V101-M103 HydrophobicContact CG1-SD 3.96Å; V101-M103 PolarHBondContact O-N 3.38Å; V101-M106 HydrophobicContact CG1-CB 4.36Å; V101-M106 HydrophobicContact CG1-CG 3.67Å; V101-F120 HydrophobicContact CG1-CE2 4.32Å; V101-F120 HydrophobicContact CG2-CE2 4.37Å; V101-F120 HydrophobicContact CG2-CZ 4.02Å; V101-T133 HydrophobicContact CG2-CG2 3.51Å; V101-L137 HydrophobicContact CG1-CD2 4.21Å; V101-L137 HydrophobicContact CG2-CD2 3.99Å; V101-L137 HydrophobicContact CG2-CG 4.39Å; V101-L140 HydrophobicContact CG1-CD1 4.18Å
102D98.8Very high98.8Very high26 Ų2642.4 Ų42.414%0.13924%0.238CC..  trans-73.488173-173.2-33000108.7V94 N100 P104 R105 M106V94-D102 HydrophobicContact CB-CB 4.18Å; V94-D102 HydrophobicContact CG1-CB 3.74Å; V94-D102 PolarHBondContact O-N 3Å; V94-D102 VanDerWaalsContact O-N 3.12Å; N100-D102 PolarHBondContact O-N 3.36Å; D102-P104 WeakPolarHBondContact OD1-CD 3.08Å; D102-R105 HydrophobicContact CB-CB 4.2Å; D102-R105 PolarHBondContact O-N 3.25Å; D102-R105 WeakPolarHBondContact OD1-CB 3.41Å; D102-R105 WeakPolarHBondContact OD1-CG 3.07Å; D102-R105 PolarHBondContact OD1-N 3.37Å; D102-R105 WeakPolarHBondContact OD2-CD 3.45Å; D102-R105 WeakPolarHBondContact OD2-CG 3.06Å; D102-R105 IonicContact OD2-NE 2.8Å; D102-R105 IonicContact OD2-NH1 2.98Å; D102-M106 WeakPolarHBondContact O-CB 3.37Å; D102-M106 WeakPolarHBondContact O-CG 3.47Å; D102-M106 PolarHBondContact O-N 3.38Å
103M98.7Very high98.8Very high36 Ų3642.4 Ų42.418%0.17724%0.238CC..Hα-helixtrans-56.9-50.1-175.5-64.6-64.3-73.600112.3V101 R105 M106 E107 N136 L140V101-M103 VanDerWaalsContact C-N 3.3Å; V101-M103 HydrophobicContact CB-SD 4.35Å; V101-M103 HydrophobicContact CG1-SD 3.96Å; V101-M103 PolarHBondContact O-N 3.38Å; M103-R105 VanDerWaalsContact C-N 3.28Å; M103-R105 PolarHBondContact O-N 2.97Å; M103-M106 PolarHBondContact O-N 2.84Å; M103-E107 WeakPolarHBondContact O-CG 3.34Å; M103-E107 PolarHBondContact O-N 2.8Å; M103-N136 HydrophobicContact CE-CB 4.13Å; M103-N136 HydrophobicContact SD-CB 3.64Å; M103-L140 HydrophobicContact CE-CD1 4.06Å; M103-L140 HydrophobicContact CE-CD2 4.12Å; M103-L140 HydrophobicContact CE-CG 3.79Å; M103-L140 HydrophobicContact SD-CD1 3.72Å; M103-L140 HydrophobicContact SD-CG 4.15Å
104P98.8Very high98.8Very high77 Ų7744.5 Ų44.550%0.526%0.259SS..Hα-helixtrans-59.5-35.3179.6-25.235.2000114D102 K108D102-P104 WeakPolarHBondContact OD1-CD 3.08Å; P104-K108 WeakPolarHBondContact O-CG 3.37Å
105R98.9Very high98.8Very high34 Ų3450.3 Ų50.313%0.12830%0.297CS..Hα-helixtrans-76.7-40176.3-74.3-168.4175.2161.3-14.2112.2Y67 D69 F72 V94 D102 M103 E107 K108 I109Y67-R105 PolarHBondContact O-NH1 2.93Å; Y67-R105 PolarHBondContact O-NH2 3.18Å; D69-R105 IonicContact OD1-NH2 3Å; D69-R105 PolarHBondContact OD1-NH2 2.89Å; F72-R105 HydrophobicContact CD1-CG 4.17Å; F72-R105 HydrophobicContact CD2-CB 4.25Å; F72-R105 HydrophobicContact CD2-CG 4.18Å; F72-R105 HydrophobicContact CE1-CB 4.2Å; F72-R105 HydrophobicContact CE1-CG 3.83Å; F72-R105 HydrophobicContact CE2-CB 3.54Å; F72-R105 HydrophobicContact CE2-CG 3.85Å; F72-R105 HydrophobicContact CG-CG 4.34Å; F72-R105 HydrophobicContact CZ-CB 3.52Å; F72-R105 HydrophobicContact CZ-CG 3.67Å; F72-R105 VanDerWaalsContact CZ-O 3.31Å; F72-R105 WeakPolarHBondContact CZ-O 3.45Å; V94-R105 HydrophobicContact CB-CB 4.48Å; V94-R105 HydrophobicContact CG1-CB 4.17Å; D102-R105 HydrophobicContact CB-CB 4.2Å; D102-R105 PolarHBondContact O-N 3.25Å; D102-R105 WeakPolarHBondContact OD1-CB 3.41Å; D102-R105 WeakPolarHBondContact OD1-CG 3.07Å; D102-R105 PolarHBondContact OD1-N 3.37Å; D102-R105 WeakPolarHBondContact OD2-CD 3.45Å; D102-R105 WeakPolarHBondContact OD2-CG 3.06Å; D102-R105 IonicContact OD2-NE 2.8Å; D102-R105 IonicContact OD2-NH1 2.98Å; M103-R105 VanDerWaalsContact C-N 3.28Å; M103-R105 PolarHBondContact O-N 2.97Å; R105-E107 PolarHBondContact O-N 3.46Å; R105-K108 PolarHBondContact O-N 2.82Å; R105-I109 PolarHBondContact O-N 2.97Å
106M98.9Very high98.8Very high0 Ų050.8 Ų50.80%030%0.299CS..Hα-helixtrans-63.7-40.2175.7-74.9-57.2-55.500112V94 V101 D102 M103 K108 I109 M110 F120 L140 I142V94-M106 HydrophobicContact CB-CG 4.47Å; V94-M106 HydrophobicContact CB-SD 4.18Å; V94-M106 HydrophobicContact CG2-SD 4.01Å; V101-M106 HydrophobicContact CG1-CB 4.36Å; V101-M106 HydrophobicContact CG1-CG 3.67Å; D102-M106 WeakPolarHBondContact O-CB 3.37Å; D102-M106 WeakPolarHBondContact O-CG 3.47Å; D102-M106 PolarHBondContact O-N 3.38Å; M103-M106 PolarHBondContact O-N 2.84Å; M106-K108 VanDerWaalsContact C-N 3.3Å; M106-K108 PolarHBondContact O-N 3.02Å; M106-I109 HydrophobicContact CE-CG2 4.49Å; M106-I109 WeakPolarHBondContact O-CB 3.35Å; M106-I109 PolarHBondContact O-N 3.46Å; M106-I109 VanDerWaalsContact O-N 3.1Å; M106-I109 HydrophobicContact SD-CD1 3.91Å; M106-M110 VanDerWaalsContact O-CG 3.28Å; M106-M110 WeakPolarHBondContact O-CG 3.44Å; M106-M110 PolarHBondContact O-N 3.15Å; M106-F120 HydrophobicContact CE-CD2 3.88Å; M106-F120 HydrophobicContact CE-CE2 4.19Å; M106-F120 HydrophobicContact CG-CE2 4.36Å; M106-F120 HydrophobicContact SD-CD2 4.21Å; M106-F120 HydrophobicContact SD-CE2 3.92Å; M106-L140 HydrophobicContact CB-CD1 3.55Å; M106-L140 HydrophobicContact CB-CD2 4.02Å; M106-L140 HydrophobicContact CB-CG 4.45Å; M106-L140 HydrophobicContact CG-CD1 4.21Å; M106-I142 HydrophobicContact CE-CD1 3.83Å
107E98.9Very high98.8Very high111 Ų11149.9 Ų49.952%0.51930%0.299SS..Hα-helixtrans-56.6-43.1174.1-74.2172.2179.600112.3M103 R105 M110 A111 L140M103-E107 WeakPolarHBondContact O-CG 3.34Å; M103-E107 PolarHBondContact O-N 2.8Å; R105-E107 PolarHBondContact O-N 3.46Å; E107-M110 PolarHBondContact O-N 2.89Å; E107-A111 WeakPolarHBondContact O-CB 3.33Å; E107-A111 PolarHBondContact O-N 2.68Å; E107-L140 HydrophobicContact CB-CD2 4.4Å; E107-L140 HydrophobicContact CG-CD2 3.62Å
108K98.9Very high98.8Very high116 Ų11644 Ų4450%0.50426%0.263SS..Hα-helixtrans-65.3-38.9176.3-69169.3-175.1173.10112F72 L76 P104 R105 M106 A112F72-K108 HydrophobicContact CE1-CB 4.32Å; F72-K108 HydrophobicContact CE1-CD 3.81Å; F72-K108 HydrophobicContact CZ-CB 4.02Å; F72-K108 HydrophobicContact CZ-CD 4.24Å; L76-K108 HydrophobicContact CD1-CB 4.49Å; L76-K108 HydrophobicContact CD2-CB 4.01Å; P104-K108 WeakPolarHBondContact O-CG 3.37Å; R105-K108 PolarHBondContact O-N 2.82Å; M106-K108 VanDerWaalsContact C-N 3.3Å; M106-K108 PolarHBondContact O-N 3.02Å; K108-A112 WeakPolarHBondContact O-CB 3.27Å; K108-A112 PolarHBondContact O-N 3.5Å
109I98.9Very high98.8Very high0 Ų038.1 Ų38.10%023%0.232CC..Hα-helixtrans-61.9-48.9172.9-74170.9000110F72 I75 L76 V79 T92 V94 R105 M106 A111 A112 A113F72-I109 HydrophobicContact CE2-CD1 3.89Å; F72-I109 HydrophobicContact CE2-CG1 3.91Å; F72-I109 HydrophobicContact CZ-CG1 4.29Å; I75-I109 HydrophobicContact CG2-CD1 3.92Å; I75-I109 HydrophobicContact CG2-CG1 4.08Å; L76-I109 HydrophobicContact CD2-CG1 4.07Å; V79-I109 HydrophobicContact CG2-CG2 4.3Å; T92-I109 HydrophobicContact CG2-CD1 4.24Å; T92-I109 HydrophobicContact CG2-CG2 3.76Å; V94-I109 HydrophobicContact CG2-CD1 3.6Å; R105-I109 PolarHBondContact O-N 2.97Å; M106-I109 HydrophobicContact CE-CG2 4.49Å; M106-I109 WeakPolarHBondContact O-CB 3.35Å; M106-I109 PolarHBondContact O-N 3.46Å; M106-I109 VanDerWaalsContact O-N 3.1Å; M106-I109 HydrophobicContact SD-CD1 3.91Å; I109-A111 VanDerWaalsContact C-N 3.33Å; I109-A111 PolarHBondContact O-N 2.86Å; I109-A112 PolarHBondContact O-N 3.37Å; I109-A112 VanDerWaalsContact O-N 3.16Å; I109-A113 WeakPolarHBondContact O-CB 3.31Å; I109-A113 PolarHBondContact O-N 3.44Å
110M98.9Very high98.8Very high31 Ų3137.5 Ų37.515%0.15323%0.225CC..Hα-helixtrans-60.8-42.6-179.7-65.1-48.6-71.300111.3M106 E107 A112 A113 G114 V118 L140 I142M106-M110 VanDerWaalsContact O-CG 3.28Å; M106-M110 WeakPolarHBondContact O-CG 3.44Å; M106-M110 PolarHBondContact O-N 3.15Å; E107-M110 PolarHBondContact O-N 2.89Å; M110-A112 PolarHBondContact O-N 2.89Å; M110-A113 PolarHBondContact O-N 3.32Å; M110-G114 PolarHBondContact O-N 2.96Å; M110-V118 HydrophobicContact CE-CB 3.95Å; M110-V118 HydrophobicContact CE-CG2 3.83Å; M110-V118 HydrophobicContact SD-CB 3.82Å; M110-V118 HydrophobicContact SD-CG1 3.91Å; M110-V118 HydrophobicContact SD-CG2 3.71Å; M110-L140 WeakPolarHBondContact CE-O 3.42Å; M110-L140 HydrophobicContact CG-CB 4.31Å; M110-L140 HydrophobicContact CG-CD2 4.4Å; M110-I142 HydrophobicContact CE-CD1 4.22Å; M110-I142 HydrophobicContact SD-CD1 3.65Å
111A98.8Very high98.8Very high75 Ų7535.6 Ų35.662%0.6222%0.215SC*.Hα-helixtrans-62-41.617500000112.5E107 I109E107-A111 WeakPolarHBondContact O-CB 3.33Å; E107-A111 PolarHBondContact O-N 2.68Å; I109-A111 VanDerWaalsContact C-N 3.33Å; I109-A111 PolarHBondContact O-N 2.86Å
112A98.9Very high98.8Very high12 Ų1239.8 Ų39.810%0.09923%0.23CC..Hα-helixtrans-68.8-37.4176.300000112.2L76 V79 R80 R83 K108 I109 M110 G114L76-A112 HydrophobicContact CD2-CB 4.33Å; V79-A112 HydrophobicContact CB-CB 4.24Å; V79-A112 HydrophobicContact CG1-CB 3.55Å; R80-A112 HydrophobicContact CG-CB 4.35Å; R83-A112 WeakPolarHBondContact CD-O 3.37Å; R83-A112 PolarHBondContact NH1-O 2.81Å; K108-A112 WeakPolarHBondContact O-CB 3.27Å; K108-A112 PolarHBondContact O-N 3.5Å; I109-A112 PolarHBondContact O-N 3.37Å; I109-A112 VanDerWaalsContact O-N 3.16Å; M110-A112 PolarHBondContact O-N 2.89Å; A112-G114 VanDerWaalsContact C-N 3.3Å; A112-G114 PolarHBondContact O-N 3.3Å
113A98.9Very high98.8Very high0 Ų038.5 Ų38.50%022%0.223CC..Hα-helixtrans-66.3-32.8177.900000112V79 R83 L90 I109 M110 P115 L116 V118V79-A113 HydrophobicContact CG1-CB 3.97Å; V79-A113 VanDerWaalsContact CG1-N 3.31Å; R83-A113 WeakPolarHBondContact CD-O 3.47Å; L90-A113 HydrophobicContact CD2-CB 3.99Å; I109-A113 WeakPolarHBondContact O-CB 3.31Å; I109-A113 PolarHBondContact O-N 3.44Å; M110-A113 PolarHBondContact O-N 3.32Å; A113-P115 WeakPolarHBondContact O-CD 3.5Å; A113-L116 HydrophobicContact CB-CB 4.4Å; A113-L116 PolarHBondContact O-N 3.47Å; A113-V118 HydrophobicContact CB-CG2 3.69Å
114G98.5Very high98.8Very high43 Ų4336.8 Ų36.844%0.44322%0.215SC..THydrogen-bonded Turntrans62.2-121.2179.900000111.1M110 A112 L116M110-G114 PolarHBondContact O-N 2.96Å; A112-G114 VanDerWaalsContact C-N 3.3Å; A112-G114 PolarHBondContact O-N 3.3Å; G114-L116 VanDerWaalsContact C-N 3.29Å; G114-L116 PolarHBondContact O-N 3.45Å
115P98.5Very high98.8Very high123 Ų12333.9 Ų33.980%0.79920%0.195SC*.THydrogen-bonded Turntrans-82.51.3-175.435.8-37.3000114.4A113A113-P115 WeakPolarHBondContact O-CD 3.5Å
116L98.8Very high98.8Very high19 Ų1938.7 Ų38.710%0.09922%0.221CC..SBendtrans-68143.5-177.2-92.462.4000111.6V82 R83 F87 L90 A113 G114 V118V82-L116 HydrophobicContact CG1-CD2 4.09Å; R83-L116 HydrophobicContact CB-CD1 4Å; R83-L116 HydrophobicContact CB-CD2 4.05Å; R83-L116 HydrophobicContact CG-CD1 3.75Å; F87-L116 WeakPolarHBondContact O-CG 3.35Å; L90-L116 HydrophobicContact CD2-CD2 4Å; A113-L116 HydrophobicContact CB-CB 4.4Å; A113-L116 PolarHBondContact O-N 3.47Å; G114-L116 VanDerWaalsContact C-N 3.29Å; G114-L116 PolarHBondContact O-N 3.45Å; L116-V118 PolarHBondContact O-N 3.05Å; L116-V118 VanDerWaalsContact O-N 3.16Å
117A98.9Very high98.8Very high31 Ų3139.1 Ų39.126%0.25622%0.223SC..EExtended strand (participates in β ladder)trans-72.5106.7169.900000110.1P88 G89 L90 A143P88-A117 PolarHBondContact O-N 3.16Å; G89-A117 CarbonylContact C-O 3.58Å; G89-A117 WeakPolarHBondContact CA-O 3.44Å; L90-A117 PolarHBondContact N-O 3.28Å; L90-A117 VanDerWaalsContact N-O 3.12Å; A117-A143 HydrophobicContact CB-CB 4.05Å
118V99Very high98.8Very high1 Ų135.4 Ų35.41%0.00621%0.212CC..EExtended strand (participates in β ladder)trans-88.4130178.7-177.90000110.4L90 T92 M110 A113 L116 I142 A143L90-V118 HydrophobicContact CD1-CB 4.46Å; L90-V118 HydrophobicContact CD1-CG1 3.89Å; L90-V118 HydrophobicContact CD1-CG2 4.08Å; L90-V118 HydrophobicContact CG-CG2 4.19Å; L90-V118 WeakPolarHBondContact O-CA 3.47Å; T92-V118 HydrophobicContact CG2-CG1 4.26Å; M110-V118 HydrophobicContact CE-CB 3.95Å; M110-V118 HydrophobicContact CE-CG2 3.83Å; M110-V118 HydrophobicContact SD-CB 3.82Å; M110-V118 HydrophobicContact SD-CG1 3.91Å; M110-V118 HydrophobicContact SD-CG2 3.71Å; A113-V118 HydrophobicContact CB-CG2 3.69Å; L116-V118 PolarHBondContact O-N 3.05Å; L116-V118 VanDerWaalsContact O-N 3.16Å; V118-I142 HydrophobicContact CB-CD1 4.06Å; V118-I142 HydrophobicContact CG1-CD1 3.62Å; V118-A143 WeakPolarHBondContact O-CB 3.48Å; V118-A143 PolarHBondContact O-N 3.33Å
119T99Very high98.7Very high0 Ų034.9 Ų34.90%021%0.214CC..EExtended strand (participates in β ladder)trans-101.5123.8170.8-54.50000109.3L90 V91 T92 H121 R144 L146 M174L90-T119 PolarHBondContact O-N 3.18Å; V91-T119 WeakPolarHBondContact CA-O 3.49Å; V91-T119 HydrophobicContact CG1-CG2 4.04Å; V91-T119 HydrophobicContact CG2-CG2 4.33Å; T92-T119 PolarHBondContact N-O 2.98Å; T92-T119 VanDerWaalsContact O-O 3.13Å; T119-H121 PolarHBondContact O-N 3.24Å; T119-R144 CarbonylContact C-O 3.58Å; T119-R144 VanDerWaalsContact CA-O 3.31Å; T119-R144 WeakPolarHBondContact CA-O 3.33Å; T119-R144 HydrophobicContact CG2-CG 3.6Å; T119-R144 WeakPolarHBondContact OG1-CD 3.5Å; T119-R144 WeakPolarHBondContact OG1-CG 3.44Å; T119-L146 HydrophobicContact CG2-CB 4.22Å; T119-M174 HydrophobicContact CG2-CE 4.16Å
120F98.9Very high98.7Very high0 Ų035.8 Ų35.80%022%0.22CC..EExtended strand (participates in β ladder)trans-81.3114.4168.4-164.2-90.6000109.2T92 L95 V101 M106 A123 F124 L137 I142 R144 V145 L146T92-F120 CarbonylContact O-C 3.45Å; T92-F120 VanDerWaalsContact O-CA 3.27Å; T92-F120 WeakPolarHBondContact O-CA 3.5Å; L95-F120 HydrophobicContact CD2-CZ 3.99Å; V101-F120 HydrophobicContact CG1-CE2 4.32Å; V101-F120 HydrophobicContact CG2-CE2 4.37Å; V101-F120 HydrophobicContact CG2-CZ 4.02Å; M106-F120 HydrophobicContact CE-CD2 3.88Å; M106-F120 HydrophobicContact CE-CE2 4.19Å; M106-F120 HydrophobicContact CG-CE2 4.36Å; M106-F120 HydrophobicContact SD-CD2 4.21Å; M106-F120 HydrophobicContact SD-CE2 3.92Å; F120-A123 HydrophobicContact CE1-CB 3.74Å; F120-A123 HydrophobicContact CZ-CB 3.94Å; F120-F124 HydrophobicContact CD1-CB 3.98Å; F120-F124 HydrophobicContact CE1-CB 4.08Å; F120-L137 HydrophobicContact CB-CD1 3.99Å; F120-L137 HydrophobicContact CB-CD2 4.04Å; F120-L137 HydrophobicContact CD1-CD1 3.85Å; F120-L137 HydrophobicContact CD1-CD2 4.2Å; F120-L137 HydrophobicContact CD2-CD1 4.49Å; F120-L137 HydrophobicContact CD2-CD2 3.41Å; F120-L137 VanDerWaalsContact CD2-CD2 3.41Å; F120-L137 HydrophobicContact CE1-CD1 4.43Å; F120-L137 HydrophobicContact CE2-CD2 3.79Å; F120-L137 HydrophobicContact CG-CD1 3.87Å; F120-L137 HydrophobicContact CG-CD2 3.62Å; F120-L137 HydrophobicContact CG-CG 4.43Å; F120-L137 HydrophobicContact CZ-CD2 4.34Å; F120-I142 HydrophobicContact CB-CD1 4.39Å; F120-I142 HydrophobicContact CB-CG2 3.97Å; F120-R144 PolarHBondContact N-O 2.92Å; F120-V145 HydrophobicContact CB-CG2 4.41Å; F120-V145 CarbonylContact O-C 3.54Å; F120-V145 WeakPolarHBondContact O-CA 3.25Å; F120-L146 PolarHBondContact O-N 3.26Å
121H98.7Very high98.6Very high8 Ų837.1 Ų37.14%0.03723%0.228CC..  trans-77.6-167.6-172.368.5-2.5000113.8F65 V91 T92 G93 T119 A123 F124 L146F65-H121 AromaticContact CD1-CE1 3.31Å; F65-H121 WeakPolarHBondContact CD1-CE1 3.49Å; F65-H121 AromaticContact CD1-NE2 3.55Å; F65-H121 AromaticContact CE1-CE1 3.27Å; F65-H121 WeakPolarHBondContact CE1-CE1 3.27Å; F65-H121 AromaticContact CE1-NE2 3.28Å; F65-H121 VanDerWaalsContact CE1-NE2 3.28Å; F65-H121 WeakPolarHBondContact CE1-NE2 3.34Å; V91-H121 HydrophobicContact CG1-CB 3.56Å; T92-H121 PolarHBondContact O-N 2.91Å; T92-H121 PolarHBondContact O-ND1 2.95Å; G93-H121 VanDerWaalsContact CA-CE1 3.44Å; G93-H121 WeakPolarHBondContact CA-CE1 3.35Å; G93-H121 PolarHBondContact N-CE1 2.97Å; G93-H121 VanDerWaalsContact N-CE1 3.28Å; G93-H121 PolarHBondContact O-CE1 3.22Å; T119-H121 PolarHBondContact O-N 3.24Å; H121-A123 WeakPolarHBondContact CE1-CB 3.37Å; H121-A123 WeakPolarHBondContact ND1-CB 3.46Å; H121-A123 PolarHBondContact ND1-N 3.4Å; H121-A123 PolarHBondContact O-N 3.19Å; H121-F124 PolarHBondContact O-N 2.91Å; H121-L146 CarbonylContact C-O 3.6Å
122R98.7Very high98.5Very high92 Ų9237.3 Ų37.335%0.34722%0.219SC..G310 helixtrans-622.8-179-65.2-168.566.4-1534.7116.3F124 D125 L146 S148R122-F124 PolarHBondContact O-N 2.86Å; R122-D125 IonicContact CZ-OD2 3.61Å; R122-D125 IonicContact NE-OD2 3.42Å; R122-D125 PolarHBondContact NE-OD2 2.91Å; R122-D125 IonicContact NH2-OD2 3.57Å; R122-D125 WeakPolarHBondContact O-CB 3.22Å; R122-D125 PolarHBondContact O-N 3.27Å; R122-L146 HydrophobicContact CG-CD2 4.07Å; R122-L146 HydrophobicContact CG-CG 3.89Å; R122-L146 PolarHBondContact N-O 3.46Å; R122-S148 PolarHBondContact NH2-OG 3.24Å
123A98.7Very high98.4Very high0 Ų036.9 Ų36.90%021%0.214CC..G310 helixtrans-49.8-32.2155.200000111.7F65 L95 F120 H121 D125 M126 C127F65-A123 HydrophobicContact CB-CB 4.18Å; F65-A123 HydrophobicContact CD1-CB 3.85Å; F65-A123 HydrophobicContact CD2-CB 3.59Å; F65-A123 HydrophobicContact CE1-CB 4.1Å; F65-A123 VanDerWaalsContact CE2-CA 3.5Å; F65-A123 HydrophobicContact CE2-CB 3.86Å; F65-A123 HydrophobicContact CG-CB 3.59Å; F65-A123 HydrophobicContact CZ-CB 4.11Å; L95-A123 HydrophobicContact CD1-CB 4.27Å; L95-A123 WeakPolarHBondContact CD1-O 3.39Å; L95-A123 HydrophobicContact CG-CB 4.16Å; F120-A123 HydrophobicContact CE1-CB 3.74Å; F120-A123 HydrophobicContact CZ-CB 3.94Å; H121-A123 WeakPolarHBondContact CE1-CB 3.37Å; H121-A123 WeakPolarHBondContact ND1-CB 3.46Å; H121-A123 PolarHBondContact ND1-N 3.4Å; H121-A123 PolarHBondContact O-N 3.19Å; A123-D125 PolarHBondContact O-N 3.01Å; A123-M126 CarbonylContact O-C 3.59Å; A123-M126 WeakPolarHBondContact O-CA 3.37Å; A123-M126 PolarHBondContact O-N 2.68Å; A123-C127 PolarHBondContact O-N 2.91Å
124F98.9Very high98.4Very high0 Ų036.9 Ų36.90%021%0.214CC..G310 helixtrans-56.4-37.3173.5-173.6-88.6000112.9F120 H121 R122 M126 C127 P130 T133 L134 L137 V145 T147 Q150 L164F120-F124 HydrophobicContact CD1-CB 3.98Å; F120-F124 HydrophobicContact CE1-CB 4.08Å; H121-F124 PolarHBondContact O-N 2.91Å; R122-F124 PolarHBondContact O-N 2.86Å; F124-M126 PolarHBondContact O-N 3.04Å; F124-M126 VanDerWaalsContact O-N 3.17Å; F124-C127 PolarHBondContact O-N 2.82Å; F124-C127 PolarHBondContact O-SG 3.23Å; F124-P130 HydrophobicContact CE1-CB 4.18Å; F124-P130 HydrophobicContact CZ-CB 3.79Å; F124-T133 HydrophobicContact CD2-CG2 3.59Å; F124-T133 HydrophobicContact CE2-CG2 3.6Å; F124-L134 HydrophobicContact CE2-CD2 3.69Å; F124-L134 HydrophobicContact CE2-CG 3.91Å; F124-L134 HydrophobicContact CZ-CD2 3.99Å; F124-L134 HydrophobicContact CZ-CG 3.99Å; F124-L137 HydrophobicContact CD2-CD1 3.95Å; F124-L137 HydrophobicContact CE2-CD1 4.37Å; F124-V145 HydrophobicContact CB-CG1 3.74Å; F124-V145 HydrophobicContact CD1-CG1 4.08Å; F124-V145 HydrophobicContact CD2-CG1 3.64Å; F124-V145 HydrophobicContact CE2-CG1 4.26Å; F124-V145 HydrophobicContact CG-CG1 3.53Å; F124-T147 WeakPolarHBondContact CD1-OG1 3.5Å; F124-Q150 PolarHBondContact O-NE2 3.19Å; F124-Q150 VanDerWaalsContact O-NE2 3.08Å; F124-L164 HydrophobicContact CE1-CD1 3.54Å; F124-L164 HydrophobicContact CE1-CD2 4.29Å; F124-L164 HydrophobicContact CZ-CD1 3.89Å; F124-L164 HydrophobicContact CZ-CD2 3.89Å
125D98.8Very high98.4Very high16 Ų1638.2 Ų38.29%0.08621%0.211CC..G310 helixtrans-69.6-13.4179.2-66.1-39.1000113.1R122 A123 T147 S148 G149 Q150R122-D125 IonicContact CZ-OD2 3.61Å; R122-D125 IonicContact NE-OD2 3.42Å; R122-D125 PolarHBondContact NE-OD2 2.91Å; R122-D125 IonicContact NH2-OD2 3.57Å; R122-D125 WeakPolarHBondContact O-CB 3.22Å; R122-D125 PolarHBondContact O-N 3.27Å; A123-D125 PolarHBondContact O-N 3.01Å; D125-T147 WeakPolarHBondContact OD1-CB 3.41Å; D125-T147 PolarHBondContact OD1-OG1 3.2Å; D125-S148 VanDerWaalsContact CG-N 3.3Å; D125-S148 PolarHBondContact OD1-N 3.44Å; D125-S148 PolarHBondContact OD1-OG 3.28Å; D125-S148 WeakPolarHBondContact OD2-CB 3.36Å; D125-S148 PolarHBondContact OD2-N 3.07Å; D125-S148 PolarHBondContact OD2-OG 2.81Å; D125-G149 PolarHBondContact OD1-N 3.46Å; D125-Q150 PolarHBondContact OD1-N 3.02Å
126M98.6Very high98.4Very high135 Ų13533.9 Ų33.967%0.66518%0.182SC*.G310 helixtrans-105.70.7178.3-53.8-61.4-64.200112.7F65 L95 A123 F124F65-M126 HydrophobicContact CE2-CG 3.99Å; L95-M126 HydrophobicContact CD1-CB 4.16Å; A123-M126 CarbonylContact O-C 3.59Å; A123-M126 WeakPolarHBondContact O-CA 3.37Å; A123-M126 PolarHBondContact O-N 2.68Å; F124-M126 PolarHBondContact O-N 3.04Å; F124-M126 VanDerWaalsContact O-N 3.17Å
127C98.6Very high98.4Very high8 Ų833 Ų335%0.05418%0.177CC..  trans-83.7154.6-17684.60000112.7L95 G99 A123 F124 T133 Q150L95-C127 HydrophobicContact CD1-CB 4.43Å; L95-C127 HydrophobicContact CD2-CB 4.07Å; G99-C127 CarbonylContact O-C 3.51Å; G99-C127 WeakPolarHBondContact O-CA 3.39Å; G99-C127 WeakPolarHBondContact O-CB 3.35Å; A123-C127 PolarHBondContact O-N 2.91Å; F124-C127 PolarHBondContact O-N 2.82Å; F124-C127 PolarHBondContact O-SG 3.23Å; C127-T133 HydrophobicContact CB-CG2 4.43Å; C127-T133 PolarHBondContact SG-OG1 2.9Å; C127-Q150 PolarHBondContact O-NE2 3.42Å
128A98.2Very high98.3Very high34 Ų3433.2 Ų33.228%0.28118%0.179SC..SBendtrans-78.5152.2164.500000110.1G99 T133G99-A128 PolarHBondContact O-N 3.22Å; A128-T133 PolarHBondContact O-OG1 2.98Å; A128-T133 VanDerWaalsContact O-OG1 3.11Å
129N97.5Very high98.3Very high104 Ų10440.3 Ų40.356%0.55621%0.212SC*.  trans51.169.2171.5-54.8-52.5000115.2L131 N132 T133N129-L131 VanDerWaalsContact C-N 3.29Å; N129-L131 PolarHBondContact O-N 2.97Å; N129-L131 VanDerWaalsContact O-N 3.07Å; N129-N132 HydrophobicContact CB-CB 4Å; N129-N132 WeakPolarHBondContact O-CB 3.43Å; N129-N132 PolarHBondContact O-N 3.04Å; N129-T133 PolarHBondContact O-N 3.44Å; N129-T133 PolarHBondContact O-OG1 2.88Å
130P97.9Very high98.3Very high19 Ų1941.3 Ų41.312%0.12322%0.217CC..Hα-helixtrans-52.1-39-171.7-30.337.3000115.5F124 T133 L134 Q150 L164F124-P130 HydrophobicContact CE1-CB 4.18Å; F124-P130 HydrophobicContact CZ-CB 3.79Å; P130-T133 WeakPolarHBondContact O-CB 3.42Å; P130-T133 PolarHBondContact O-N 2.95Å; P130-L134 WeakPolarHBondContact O-CG 3.43Å; P130-L134 PolarHBondContact O-N 2.87Å; P130-Q150 HydrophobicContact CG-CG 4.22Å; P130-L164 HydrophobicContact CB-CD2 3.99Å
131L97.2Very high98.3Very high60 Ų6043.7 Ų43.731%0.31424%0.241SC..Hα-helixtrans-70.2-38.9-179.9-58.6-178.3000112N129 T133 L134 N135 L164 H167N129-L131 VanDerWaalsContact C-N 3.29Å; N129-L131 PolarHBondContact O-N 2.97Å; N129-L131 VanDerWaalsContact O-N 3.07Å; L131-T133 VanDerWaalsContact C-N 3.34Å; L131-L134 PolarHBondContact O-N 2.89Å; L131-N135 PolarHBondContact O-N 3.44Å; L131-N135 PolarHBondContact O-ND2 3Å; L131-L164 HydrophobicContact CD2-CD2 4.02Å; L131-H167 HydrophobicContact CD2-CB 4.2Å
132N96.8Very high98.3Very high79 Ų7943.7 Ų43.742%0.42224%0.242SC..Hα-helixtrans-67.5-40.4174-170.966.2000110.6N129 L134 N135 N136N129-N132 HydrophobicContact CB-CB 4Å; N129-N132 WeakPolarHBondContact O-CB 3.43Å; N129-N132 PolarHBondContact O-N 3.04Å; N132-L134 VanDerWaalsContact C-N 3.34Å; N132-L134 PolarHBondContact O-N 3.3Å; N132-N135 WeakPolarHBondContact O-CB 3.27Å; N132-N135 PolarHBondContact O-N 3.35Å; N132-N136 PolarHBondContact O-N 2.91Å
133T98.3Very high98.3Very high2 Ų240.8 Ų40.81%0.01224%0.237CC..Hα-helixtrans-58-44.6172.1-63.50000111.8V101 F124 C127 A128 N129 P130 L131 N135 N136 L137V101-T133 HydrophobicContact CG2-CG2 3.51Å; F124-T133 HydrophobicContact CD2-CG2 3.59Å; F124-T133 HydrophobicContact CE2-CG2 3.6Å; C127-T133 HydrophobicContact CB-CG2 4.43Å; C127-T133 PolarHBondContact SG-OG1 2.9Å; A128-T133 PolarHBondContact O-OG1 2.98Å; A128-T133 VanDerWaalsContact O-OG1 3.11Å; N129-T133 PolarHBondContact O-N 3.44Å; N129-T133 PolarHBondContact O-OG1 2.88Å; P130-T133 WeakPolarHBondContact O-CB 3.42Å; P130-T133 PolarHBondContact O-N 2.95Å; L131-T133 VanDerWaalsContact C-N 3.34Å; T133-N135 VanDerWaalsContact C-N 3.32Å; T133-N135 PolarHBondContact O-N 2.96Å; T133-N136 WeakPolarHBondContact O-CB 3.48Å; T133-N136 PolarHBondContact O-N 3.4Å; T133-L137 HydrophobicContact CG2-CD1 3.84Å; T133-L137 HydrophobicContact CG2-CG 4.15Å; T133-L137 VanDerWaalsContact O-CG 3.23Å; T133-L137 WeakPolarHBondContact O-CG 3.15Å; T133-L137 PolarHBondContact O-N 2.9Å
134L98.1Very high98.3Very high0 Ų041.8 Ų41.80%024%0.241CC..Hα-helixtrans-59-42.3176.2-76.8-177000112.8F124 P130 L131 N132 L137 A138 V145 L164 H167 A170 I173F124-L134 HydrophobicContact CE2-CD2 3.69Å; F124-L134 HydrophobicContact CE2-CG 3.91Å; F124-L134 HydrophobicContact CZ-CD2 3.99Å; F124-L134 HydrophobicContact CZ-CG 3.99Å; P130-L134 WeakPolarHBondContact O-CG 3.43Å; P130-L134 PolarHBondContact O-N 2.87Å; L131-L134 PolarHBondContact O-N 2.89Å; N132-L134 VanDerWaalsContact C-N 3.34Å; N132-L134 PolarHBondContact O-N 3.3Å; L134-L137 PolarHBondContact O-N 2.87Å; L134-A138 WeakPolarHBondContact O-CB 3.37Å; L134-A138 PolarHBondContact O-N 3.46Å; L134-V145 HydrophobicContact CD2-CG2 4.03Å; L134-L164 HydrophobicContact CD1-CB 3.93Å; L134-L164 HydrophobicContact CD1-CD2 3.53Å; L134-L164 HydrophobicContact CD1-CG 4.25Å; L134-L164 HydrophobicContact CG-CD2 4.2Å; L134-H167 HydrophobicContact CD1-CB 4.16Å; L134-A170 HydrophobicContact CB-CB 4.26Å; L134-A170 HydrophobicContact CD1-CB 4.03Å; L134-A170 HydrophobicContact CD2-CB 4.46Å; L134-I173 HydrophobicContact CD1-CD1 4.34Å; L134-I173 HydrophobicContact CD2-CD1 3.73Å
135N97.9Very high98.3Very high71 Ų7141.8 Ų41.838%0.3824%0.241SC..Hα-helixtrans-60.5-46.4176.5-64.3-22.5000111.3L131 N132 T133 L137 A138 E139 H167L131-N135 PolarHBondContact O-N 3.44Å; L131-N135 PolarHBondContact O-ND2 3Å; N132-N135 WeakPolarHBondContact O-CB 3.27Å; N132-N135 PolarHBondContact O-N 3.35Å; T133-N135 VanDerWaalsContact C-N 3.32Å; T133-N135 PolarHBondContact O-N 2.96Å; N135-L137 VanDerWaalsContact C-N 3.33Å; N135-L137 PolarHBondContact O-N 3.39Å; N135-A138 WeakPolarHBondContact O-CB 3.24Å; N135-A138 PolarHBondContact O-N 3.49Å; N135-E139 PolarHBondContact O-N 3.44Å; N135-H167 PolarHBondContact OD1-NE2 2.95Å
136N98.2Very high98.3Very high33 Ų3341.3 Ų41.318%0.17624%0.239CC..Hα-helixtrans-61.4-41.3177.5-74.13.5000111.9M103 N132 T133 A138 E139 L140M103-N136 HydrophobicContact CE-CB 4.13Å; M103-N136 HydrophobicContact SD-CB 3.64Å; N132-N136 PolarHBondContact O-N 2.91Å; T133-N136 WeakPolarHBondContact O-CB 3.48Å; T133-N136 PolarHBondContact O-N 3.4Å; N136-A138 VanDerWaalsContact C-N 3.34Å; N136-E139 PolarHBondContact O-N 3.39Å; N136-L140 WeakPolarHBondContact O-CG 3.31Å; N136-L140 PolarHBondContact O-N 3.23Å
137L98.7Very high98.3Very high0 Ų034.9 Ų34.90%021%0.207CC..Hα-helixtrans-67.7-35.6176.9-64.1176.5000111.7V101 F120 F124 T133 L134 N135 L140 G141 I142 V145 P171V101-L137 HydrophobicContact CG1-CD2 4.21Å; V101-L137 HydrophobicContact CG2-CD2 3.99Å; V101-L137 HydrophobicContact CG2-CG 4.39Å; F120-L137 HydrophobicContact CB-CD1 3.99Å; F120-L137 HydrophobicContact CB-CD2 4.04Å; F120-L137 HydrophobicContact CD1-CD1 3.85Å; F120-L137 HydrophobicContact CD1-CD2 4.2Å; F120-L137 HydrophobicContact CD2-CD1 4.49Å; F120-L137 HydrophobicContact CD2-CD2 3.41Å; F120-L137 VanDerWaalsContact CD2-CD2 3.41Å; F120-L137 HydrophobicContact CE1-CD1 4.43Å; F120-L137 HydrophobicContact CE2-CD2 3.79Å; F120-L137 HydrophobicContact CG-CD1 3.87Å; F120-L137 HydrophobicContact CG-CD2 3.62Å; F120-L137 HydrophobicContact CG-CG 4.43Å; F120-L137 HydrophobicContact CZ-CD2 4.34Å; F124-L137 HydrophobicContact CD2-CD1 3.95Å; F124-L137 HydrophobicContact CE2-CD1 4.37Å; T133-L137 HydrophobicContact CG2-CD1 3.84Å; T133-L137 HydrophobicContact CG2-CG 4.15Å; T133-L137 VanDerWaalsContact O-CG 3.23Å; T133-L137 WeakPolarHBondContact O-CG 3.15Å; T133-L137 PolarHBondContact O-N 2.9Å; L134-L137 PolarHBondContact O-N 2.87Å; N135-L137 VanDerWaalsContact C-N 3.33Å; N135-L137 PolarHBondContact O-N 3.39Å; L137-L140 HydrophobicContact CD2-CD1 4.33Å; L137-L140 PolarHBondContact O-N 2.79Å; L137-G141 PolarHBondContact O-N 2.86Å; L137-I142 HydrophobicContact CB-CB 4.1Å; L137-I142 HydrophobicContact CB-CG1 4.05Å; L137-I142 HydrophobicContact CB-CG2 4.48Å; L137-I142 HydrophobicContact CD2-CG1 3.97Å; L137-I142 VanDerWaalsContact O-CB 3.24Å; L137-I142 WeakPolarHBondContact O-CB 3.23Å; L137-I142 WeakPolarHBondContact O-CG1 3.45Å; L137-I142 PolarHBondContact O-N 3.3Å; L137-V145 HydrophobicContact CD1-CG2 3.64Å; L137-P171 HydrophobicContact CB-CG 4.08Å
138A98.4Very high98.3Very high35 Ų3534.5 Ų34.529%0.28920%0.204SC..Hα-helixtrans-64-44.8172.400000111.9L134 N135 N136 L140 G141 D169L134-A138 WeakPolarHBondContact O-CB 3.37Å; L134-A138 PolarHBondContact O-N 3.46Å; N135-A138 WeakPolarHBondContact O-CB 3.24Å; N135-A138 PolarHBondContact O-N 3.49Å; N136-A138 VanDerWaalsContact C-N 3.34Å; A138-L140 VanDerWaalsContact C-N 3.28Å; A138-L140 PolarHBondContact O-N 3.18Å; A138-G141 PolarHBondContact O-N 2.89Å; A138-D169 WeakPolarHBondContact CB-O 3.47Å
139E98.2Very high98.3Very high150 Ų15033 Ų3370%0.70119%0.192SC*.Hα-helixtrans-58.5-40.4176.5-177.617817600112N135 N136 G141N135-E139 PolarHBondContact O-N 3.44Å; N136-E139 PolarHBondContact O-N 3.39Å; E139-G141 PolarHBondContact O-N 3.49Å
140L98.5Very high98.4Very high21 Ų2131 Ų3111%0.1118%0.179CC..THydrogen-bonded Turntrans-67.6-13.9175.2-73.9165.2000113.9V101 M103 M106 E107 M110 N136 L137 A138 I142V101-L140 HydrophobicContact CG1-CD1 4.18Å; M103-L140 HydrophobicContact CE-CD1 4.06Å; M103-L140 HydrophobicContact CE-CD2 4.12Å; M103-L140 HydrophobicContact CE-CG 3.79Å; M103-L140 HydrophobicContact SD-CD1 3.72Å; M103-L140 HydrophobicContact SD-CG 4.15Å; M106-L140 HydrophobicContact CB-CD1 3.55Å; M106-L140 HydrophobicContact CB-CD2 4.02Å; M106-L140 HydrophobicContact CB-CG 4.45Å; M106-L140 HydrophobicContact CG-CD1 4.21Å; E107-L140 HydrophobicContact CB-CD2 4.4Å; E107-L140 HydrophobicContact CG-CD2 3.62Å; M110-L140 WeakPolarHBondContact CE-O 3.42Å; M110-L140 HydrophobicContact CG-CB 4.31Å; M110-L140 HydrophobicContact CG-CD2 4.4Å; N136-L140 WeakPolarHBondContact O-CG 3.31Å; N136-L140 PolarHBondContact O-N 3.23Å; L137-L140 HydrophobicContact CD2-CD1 4.33Å; L137-L140 PolarHBondContact O-N 2.79Å; A138-L140 VanDerWaalsContact C-N 3.28Å; A138-L140 PolarHBondContact O-N 3.18Å; L140-I142 HydrophobicContact CB-CG1 4.15Å
141G98.4Very high98.4Very high50 Ų5035.5 Ų35.552%0.51520%0.197SC..THydrogen-bonded Turntrans76.128.1-173.900000113.7L137 A138 E139 A143L137-G141 PolarHBondContact O-N 2.86Å; A138-G141 PolarHBondContact O-N 2.89Å; E139-G141 PolarHBondContact O-N 3.49Å; G141-A143 PolarHBondContact O-N 3.2Å
142I98.8Very high98.4Very high8 Ų836.7 Ų36.74%0.04121%0.21CC..  trans-61.6132.9172.9-66.9-71.3000109.3M106 M110 V118 F120 L137 L140 R144 V145 P171M106-I142 HydrophobicContact CE-CD1 3.83Å; M110-I142 HydrophobicContact CE-CD1 4.22Å; M110-I142 HydrophobicContact SD-CD1 3.65Å; V118-I142 HydrophobicContact CB-CD1 4.06Å; V118-I142 HydrophobicContact CG1-CD1 3.62Å; F120-I142 HydrophobicContact CB-CD1 4.39Å; F120-I142 HydrophobicContact CB-CG2 3.97Å; L137-I142 HydrophobicContact CB-CB 4.1Å; L137-I142 HydrophobicContact CB-CG1 4.05Å; L137-I142 HydrophobicContact CB-CG2 4.48Å; L137-I142 HydrophobicContact CD2-CG1 3.97Å; L137-I142 VanDerWaalsContact O-CB 3.24Å; L137-I142 WeakPolarHBondContact O-CB 3.23Å; L137-I142 WeakPolarHBondContact O-CG1 3.45Å; L137-I142 PolarHBondContact O-N 3.3Å; L140-I142 HydrophobicContact CB-CG1 4.15Å; I142-R144 WeakPolarHBondContact CG2-O 3.48Å; I142-V145 HydrophobicContact CG2-CG2 4.46Å; I142-P171 HydrophobicContact CB-CG 4.13Å; I142-P171 HydrophobicContact CG2-CB 4.21Å; I142-P171 HydrophobicContact CG2-CG 4.13Å; I142-P171 WeakPolarHBondContact O-CB 3.49Å; I142-P171 WeakPolarHBondContact O-CG 3.09Å
143A98.7Very high98.5Very high31 Ų3135 Ų3526%0.25620%0.201SC..  trans-77.5-38.4-177.400000112A117 V118 G141 I172A117-A143 HydrophobicContact CB-CB 4.05Å; V118-A143 WeakPolarHBondContact O-CB 3.48Å; V118-A143 PolarHBondContact O-N 3.33Å; G141-A143 PolarHBondContact O-N 3.2Å; A143-I172 PolarHBondContact O-N 3.19Å; A143-I172 VanDerWaalsContact O-N 3.15Å
144R98.8Very high98.5Very high22 Ų2234.9 Ų34.98%0.08320%0.2CC..EExtended strand (participates in β ladder)trans-155158.2-176.463.9-179.164.4771.6113.4R24 H55 T119 F120 I142 I172 E194R24-R144 VanDerWaalsContact NH2-NE 3.17Å; H55-R144 PolarHBondContact NE2-NH1 3.26Å; T119-R144 CarbonylContact C-O 3.58Å; T119-R144 VanDerWaalsContact CA-O 3.31Å; T119-R144 WeakPolarHBondContact CA-O 3.33Å; T119-R144 HydrophobicContact CG2-CG 3.6Å; T119-R144 WeakPolarHBondContact OG1-CD 3.5Å; T119-R144 WeakPolarHBondContact OG1-CG 3.44Å; F120-R144 PolarHBondContact N-O 2.92Å; I142-R144 WeakPolarHBondContact CG2-O 3.48Å; R144-I172 CarbonylContact C-O 3.49Å; R144-I172 WeakPolarHBondContact CA-O 3.3Å; R144-I172 HydrophobicContact CB-CB 3.98Å; R144-I172 WeakPolarHBondContact CB-O 3.47Å; R144-E194 WeakPolarHBondContact CD-OE2 3.27Å; R144-E194 IonicContact CZ-OE2 2.78Å; R144-E194 IonicContact NE-OE1 3.65Å; R144-E194 IonicContact NE-OE2 3.83Å; R144-E194 PolarHBondContact NE-OE2 3Å; R144-E194 IonicContact NH2-OE1 3.82Å
145V98.9Very high98.6Very high0 Ų038 Ų380%022%0.217CC..EExtended strand (participates in β ladder)trans-120.2123.5175.8179.80000109.8F120 F124 L134 L137 I142 T147 P171 I172 I173 M174F120-V145 HydrophobicContact CB-CG2 4.41Å; F120-V145 CarbonylContact O-C 3.54Å; F120-V145 WeakPolarHBondContact O-CA 3.25Å; F124-V145 HydrophobicContact CB-CG1 3.74Å; F124-V145 HydrophobicContact CD1-CG1 4.08Å; F124-V145 HydrophobicContact CD2-CG1 3.64Å; F124-V145 HydrophobicContact CE2-CG1 4.26Å; F124-V145 HydrophobicContact CG-CG1 3.53Å; L134-V145 HydrophobicContact CD2-CG2 4.03Å; L137-V145 HydrophobicContact CD1-CG2 3.64Å; I142-V145 HydrophobicContact CG2-CG2 4.46Å; V145-T147 HydrophobicContact CG1-CG2 4.49Å; V145-P171 HydrophobicContact CG2-CB 4.15Å; V145-P171 HydrophobicContact CG2-CG 4.26Å; V145-I172 PolarHBondContact N-O 2.85Å; V145-I173 HydrophobicContact CB-CD1 4.28Å; V145-M174 PolarHBondContact O-N 3.18Å
146L98.9Very high98.6Very high6 Ų640 Ų403%0.03122%0.224CC..EExtended strand (participates in β ladder)trans-87.7117.5170.317464.7000109.3T119 F120 H121 R122 M174 H196T119-L146 HydrophobicContact CG2-CB 4.22Å; F120-L146 PolarHBondContact O-N 3.26Å; H121-L146 CarbonylContact C-O 3.6Å; R122-L146 HydrophobicContact CG-CD2 4.07Å; R122-L146 HydrophobicContact CG-CG 3.89Å; R122-L146 PolarHBondContact N-O 3.46Å; L146-M174 WeakPolarHBondContact CA-O 3.41Å; L146-M174 HydrophobicContact CB-CE 4.17Å; L146-M174 HydrophobicContact CD1-CE 4.15Å; L146-M174 HydrophobicContact CD1-CG 4.25Å; L146-H196 HydrophobicContact CD1-CB 3.42Å; L146-H196 VanDerWaalsContact CD1-CB 3.42Å
147T98.9Very high98.6Very high0 Ų038.5 Ų38.50%022%0.216CC..EExtended strand (participates in β ladder)trans-144.7148.9-174.2178.20000112.7F124 D125 V145 G149 I161 L164 I173 M174 A175 G176F124-T147 WeakPolarHBondContact CD1-OG1 3.5Å; D125-T147 WeakPolarHBondContact OD1-CB 3.41Å; D125-T147 PolarHBondContact OD1-OG1 3.2Å; V145-T147 HydrophobicContact CG1-CG2 4.49Å; T147-G149 PolarHBondContact OG1-N 3.16Å; T147-I161 HydrophobicContact CG2-CG1 4.43Å; T147-L164 HydrophobicContact CG2-CD1 4.1Å; T147-I173 HydrophobicContact CG2-CG2 3.69Å; T147-M174 PolarHBondContact N-O 3.14Å; T147-A175 WeakPolarHBondContact O-CA 3.38Å; T147-G176 PolarHBondContact O-N 2.87Å
148S98.8Very high98.6Very high0 Ų039.9 Ų39.90%022%0.223CC..  trans-100.615.6168.856.80000112.1R122 D125 Q150 K151 G157 G176R122-S148 PolarHBondContact NH2-OG 3.24Å; D125-S148 VanDerWaalsContact CG-N 3.3Å; D125-S148 PolarHBondContact OD1-N 3.44Å; D125-S148 PolarHBondContact OD1-OG 3.28Å; D125-S148 WeakPolarHBondContact OD2-CB 3.36Å; D125-S148 PolarHBondContact OD2-N 3.07Å; D125-S148 PolarHBondContact OD2-OG 2.81Å; S148-Q150 VanDerWaalsContact C-N 3.31Å; S148-Q150 PolarHBondContact O-N 3.06Å; S148-K151 PolarHBondContact O-N 2.89Å; S148-K151 PolarHBondContact OG-O 2.82Å; S148-G157 WeakPolarHBondContact O-CA 3.42Å; S148-G176 VanDerWaalsContact CA-O 3.31Å; S148-G176 WeakPolarHBondContact CA-O 3.28Å; S148-G176 VanDerWaalsContact CB-O 3.27Å; S148-G176 WeakPolarHBondContact CB-O 3.27Å
149G98.7Very high98.6Very high2 Ų242.7 Ų42.72%0.02124%0.241CC..THydrogen-bonded Turntrans66.131.6-173.200000113.1D125 T147 K151D125-G149 PolarHBondContact OD1-N 3.46Å; T147-G149 PolarHBondContact OG1-N 3.16Å; G149-K151 VanDerWaalsContact C-N 3.26Å; G149-K151 PolarHBondContact O-N 3.3Å
150Q98.6Very high98.7Very high61 Ų6138.2 Ų38.229%0.28522%0.219SC..THydrogen-bonded Turntrans5635.8-173-46-156.3-60.300114F124 D125 C127 P130 S148F124-Q150 PolarHBondContact O-NE2 3.19Å; F124-Q150 VanDerWaalsContact O-NE2 3.08Å; D125-Q150 PolarHBondContact OD1-N 3.02Å; C127-Q150 PolarHBondContact O-NE2 3.42Å; P130-Q150 HydrophobicContact CG-CG 4.22Å; S148-Q150 VanDerWaalsContact C-N 3.31Å; S148-Q150 PolarHBondContact O-N 3.06Å
151K98.7Very high98.7Very high115 Ų11537.2 Ų37.250%0.521%0.214SC..SBendtrans-123.4175.9176-64.6-60.6179.5-170.40111.3S148 G149 D153 Q156S148-K151 PolarHBondContact O-N 2.89Å; S148-K151 PolarHBondContact OG-O 2.82Å; G149-K151 VanDerWaalsContact C-N 3.26Å; G149-K151 PolarHBondContact O-N 3.3Å; K151-D153 VanDerWaalsContact C-N 3.28Å; K151-D153 PolarHBondContact O-N 3.34Å; K151-Q156 HydrophobicContact CB-CB 3.92Å; K151-Q156 HydrophobicContact CG-CB 4.25Å
152S97.9Very high98.7Very high84 Ų8439.3 Ų39.359%0.58721%0.211SC*.SBendtrans-65.4-34.917952.50000112.1Q156S152-Q156 PolarHBondContact OG-NE2 3.48Å; S152-Q156 PolarHBondContact OG-OE1 3.17Å
153D98.7Very high98.6Very high43 Ų4342.8 Ų42.823%0.2323%0.227CC..SBendtrans-139159.6171.367.572.3000111.4K151 L155 Q156 G157K151-D153 VanDerWaalsContact C-N 3.28Å; K151-D153 PolarHBondContact O-N 3.34Å; D153-L155 VanDerWaalsContact C-N 3.26Å; D153-L155 PolarHBondContact O-N 2.99Å; D153-L155 WeakPolarHBondContact OD1-CA 3.35Å; D153-L155 WeakPolarHBondContact OD1-CB 3.49Å; D153-L155 PolarHBondContact OD1-N 2.94Å; D153-Q156 PolarHBondContact O-N 2.71Å; D153-Q156 PolarHBondContact OD1-N 2.92Å; D153-Q156 PolarHBondContact OD2-NE2 3.1Å; D153-G157 PolarHBondContact O-N 3.36Å
154A98.7Very high98.6Very high0 Ų041.3 Ų41.30%022%0.215CC..THydrogen-bonded Turntrans-63.2-29.2-176.600000113.7G157 L158 I161 G176 A177 V179 F187A154-G157 CarbonylContact O-C 3.43Å; A154-G157 PolarHBondContact O-N 2.85Å; A154-L158 WeakPolarHBondContact O-CA 3.39Å; A154-L158 PolarHBondContact O-N 2.85Å; A154-I161 HydrophobicContact CB-CD1 4Å; A154-G176 WeakPolarHBondContact CB-O 3.31Å; A154-A177 PolarHBondContact N-O 2.86Å; A154-V179 HydrophobicContact CB-CG2 3.98Å; A154-F187 HydrophobicContact CB-CE1 3.48Å; A154-F187 VanDerWaalsContact CB-CE1 3.48Å; A154-F187 HydrophobicContact CB-CZ 3.61Å
155L98.6Very high98.6Very high65 Ų6543.3 Ų43.334%0.3423%0.227SC..THydrogen-bonded Turntrans-70.7-40.8-178.9-175.562.3000110.3D153 G157 L158 N183 H186 F187D153-L155 VanDerWaalsContact C-N 3.26Å; D153-L155 PolarHBondContact O-N 2.99Å; D153-L155 WeakPolarHBondContact OD1-CA 3.35Å; D153-L155 WeakPolarHBondContact OD1-CB 3.49Å; D153-L155 PolarHBondContact OD1-N 2.94Å; L155-G157 VanDerWaalsContact C-N 3.27Å; L155-G157 PolarHBondContact O-N 2.9Å; L155-L158 HydrophobicContact CD1-CD2 4.37Å; L155-L158 WeakPolarHBondContact O-CB 3.44Å; L155-L158 PolarHBondContact O-N 3.33Å; L155-N183 HydrophobicContact CD2-CB 4.18Å; L155-H186 HydrophobicContact CD1-CB 3.76Å; L155-F187 HydrophobicContact CB-CZ 4.22Å
156Q98.6Very high98.5Very high115 Ų11547.4 Ų47.454%0.53726%0.26SS..THydrogen-bonded Turntrans-63.5-34.1170.6-70.9-177.853.400112.4K151 S152 D153 L158K151-Q156 HydrophobicContact CB-CB 3.92Å; K151-Q156 HydrophobicContact CG-CB 4.25Å; S152-Q156 PolarHBondContact OG-NE2 3.48Å; S152-Q156 PolarHBondContact OG-OE1 3.17Å; D153-Q156 PolarHBondContact O-N 2.71Å; D153-Q156 PolarHBondContact OD1-N 2.92Å; D153-Q156 PolarHBondContact OD2-NE2 3.1Å; Q156-L158 VanDerWaalsContact C-N 3.35Å
157G98.7Very high98.4Very high1 Ų149.5 Ų49.51%0.0127%0.27CS..THydrogen-bonded Turntrans-86.94.8178.300000115.3S148 D153 A154 L155 S159 K160 I161S148-G157 WeakPolarHBondContact O-CA 3.42Å; D153-G157 PolarHBondContact O-N 3.36Å; A154-G157 CarbonylContact O-C 3.43Å; A154-G157 PolarHBondContact O-N 2.85Å; L155-G157 VanDerWaalsContact C-N 3.27Å; L155-G157 PolarHBondContact O-N 2.9Å; G157-S159 VanDerWaalsContact C-N 3.31Å; G157-S159 PolarHBondContact O-N 2.6Å; G157-K160 WeakPolarHBondContact O-CA 3.28Å; G157-K160 WeakPolarHBondContact O-CB 3.42Å; G157-K160 PolarHBondContact O-N 2.91Å; G157-I161 PolarHBondContact O-N 3.36Å
158L98.8Very high98.2Very high29 Ų2958.9 Ų58.915%0.15231%0.305CS..Hα-helixtrans-57.4-41.8-168.5-176.562.6000113A154 L155 Q156 K160 I161 M162 H186 F187 A190A154-L158 WeakPolarHBondContact O-CA 3.39Å; A154-L158 PolarHBondContact O-N 2.85Å; L155-L158 HydrophobicContact CD1-CD2 4.37Å; L155-L158 WeakPolarHBondContact O-CB 3.44Å; L155-L158 PolarHBondContact O-N 3.33Å; Q156-L158 VanDerWaalsContact C-N 3.35Å; L158-K160 VanDerWaalsContact C-N 3.31Å; L158-K160 PolarHBondContact O-N 3.29Å; L158-I161 WeakPolarHBondContact O-CB 3.35Å; L158-I161 PolarHBondContact O-N 3.49Å; L158-M162 HydrophobicContact CG-SD 4.45Å; L158-M162 WeakPolarHBondContact O-CG 3.38Å; L158-M162 PolarHBondContact O-N 2.85Å; L158-H186 HydrophobicContact CD2-CB 4.05Å; L158-F187 HydrophobicContact CD1-CD1 3.68Å; L158-F187 HydrophobicContact CD1-CE1 4.04Å; L158-A190 HydrophobicContact CD1-CB 3.81Å; L158-A190 HydrophobicContact CG-CB 4.41Å
159S98.5Very high97.7Very high93 Ų9364.4 Ų64.465%0.6534%0.335SS*.Hα-helixtrans-62-39.1177.358.70000112.5G157 M162 E163G157-S159 VanDerWaalsContact C-N 3.31Å; G157-S159 PolarHBondContact O-N 2.6Å; S159-M162 PolarHBondContact O-N 2.9Å; S159-E163 PolarHBondContact O-N 3.11Å; S159-E163 VanDerWaalsContact O-N 3.09Å
160K98.5Very high97.4Very high57 Ų5765.9 Ų65.925%0.24835%0.347CS..Hα-helixtrans-68.2-43.6174.4-177.558.464.7-177.30110.3G157 L158 M162 E163 L164G157-K160 WeakPolarHBondContact O-CA 3.28Å; G157-K160 WeakPolarHBondContact O-CB 3.42Å; G157-K160 PolarHBondContact O-N 2.91Å; L158-K160 VanDerWaalsContact C-N 3.31Å; L158-K160 PolarHBondContact O-N 3.29Å; K160-M162 VanDerWaalsContact C-N 3.27Å; K160-M162 PolarHBondContact O-N 3.46Å; K160-E163 WeakPolarHBondContact CE-OE2 3.35Å; K160-E163 IonicContact NZ-OE1 3.88Å; K160-E163 PolarHBondContact NZ-OE1 2.96Å; K160-E163 IonicContact NZ-OE2 2.73Å; K160-E163 PolarHBondContact NZ-OE2 3.28Å; K160-E163 WeakPolarHBondContact O-CB 3.44Å; K160-E163 PolarHBondContact O-N 2.97Å; K160-E163 VanDerWaalsContact O-N 3.08Å; K160-L164 HydrophobicContact CD-CD2 4.39Å; K160-L164 HydrophobicContact CD-CG 4.41Å; K160-L164 HydrophobicContact CG-CD1 4.41Å; K160-L164 HydrophobicContact CG-CG 4.41Å; K160-L164 VanDerWaalsContact O-CG 3.27Å; K160-L164 WeakPolarHBondContact O-CG 3.5Å; K160-L164 PolarHBondContact O-N 2.85Å
161I98.8Very high97.4Very high0 Ų063.6 Ų63.60%034%0.337CS..Hα-helixtrans-55.9-43.2175.3-67.3173000110.9T147 A154 G157 L158 E163 L164 I165 I173 A175 V192T147-I161 HydrophobicContact CG2-CG1 4.43Å; A154-I161 HydrophobicContact CB-CD1 4Å; G157-I161 PolarHBondContact O-N 3.36Å; L158-I161 WeakPolarHBondContact O-CB 3.35Å; L158-I161 PolarHBondContact O-N 3.49Å; I161-E163 PolarHBondContact O-N 3.41Å; I161-L164 WeakPolarHBondContact O-CB 3.25Å; I161-L164 PolarHBondContact O-N 2.85Å; I161-I165 HydrophobicContact CG2-CD1 3.86Å; I161-I165 HydrophobicContact CG2-CG1 4.5Å; I161-I165 VanDerWaalsContact O-CG1 3.32Å; I161-I165 WeakPolarHBondContact O-CG1 3.34Å; I161-I165 PolarHBondContact O-N 2.99Å; I161-I173 HydrophobicContact CG2-CG2 4.01Å; I161-A175 HydrophobicContact CD1-CB 3.99Å; I161-V192 HydrophobicContact CG2-CG2 3.92Å
162M98.5Very high97.4Very high94 Ų9461.3 Ų61.346%0.46333%0.33SS..Hα-helixtrans-63.1-40.6175.7-69174.368.900112.7L158 S159 K160 L164 I165 A166 A190L158-M162 HydrophobicContact CG-SD 4.45Å; L158-M162 WeakPolarHBondContact O-CG 3.38Å; L158-M162 PolarHBondContact O-N 2.85Å; S159-M162 PolarHBondContact O-N 2.9Å; K160-M162 VanDerWaalsContact C-N 3.27Å; K160-M162 PolarHBondContact O-N 3.46Å; M162-L164 VanDerWaalsContact C-N 3.35Å; M162-I165 PolarHBondContact O-N 2.62Å; M162-A166 WeakPolarHBondContact O-CB 3.43Å; M162-A166 PolarHBondContact O-N 2.99Å; M162-A190 HydrophobicContact CG-CB 3.87Å; M162-A190 HydrophobicContact SD-CB 3.97Å
163E98.3Very high97.5Very high81 Ų8157.7 Ų57.738%0.37930%0.304SS..Hα-helixtrans-61.6-42.3173.7-175.6-170.6148.300111.6S159 K160 I161 A166 H167S159-E163 PolarHBondContact O-N 3.11Å; S159-E163 VanDerWaalsContact O-N 3.09Å; K160-E163 WeakPolarHBondContact CE-OE2 3.35Å; K160-E163 IonicContact NZ-OE1 3.88Å; K160-E163 PolarHBondContact NZ-OE1 2.96Å; K160-E163 IonicContact NZ-OE2 2.73Å; K160-E163 PolarHBondContact NZ-OE2 3.28Å; K160-E163 WeakPolarHBondContact O-CB 3.44Å; K160-E163 PolarHBondContact O-N 2.97Å; K160-E163 VanDerWaalsContact O-N 3.08Å; I161-E163 PolarHBondContact O-N 3.41Å; E163-A166 PolarHBondContact O-N 3.29Å; E163-H167 PolarHBondContact O-N 3.48Å; E163-H167 VanDerWaalsContact O-N 3.14Å
164L98.4Very high97.5Very high0 Ų055.7 Ų55.70%029%0.293CS..Hα-helixtrans-64.7-40.8176.7-61.8176.4000111.8F124 P130 L131 L134 T147 K160 I161 M162 A166 H167 I173F124-L164 HydrophobicContact CE1-CD1 3.54Å; F124-L164 HydrophobicContact CE1-CD2 4.29Å; F124-L164 HydrophobicContact CZ-CD1 3.89Å; F124-L164 HydrophobicContact CZ-CD2 3.89Å; P130-L164 HydrophobicContact CB-CD2 3.99Å; L131-L164 HydrophobicContact CD2-CD2 4.02Å; L134-L164 HydrophobicContact CD1-CB 3.93Å; L134-L164 HydrophobicContact CD1-CD2 3.53Å; L134-L164 HydrophobicContact CD1-CG 4.25Å; L134-L164 HydrophobicContact CG-CD2 4.2Å; T147-L164 HydrophobicContact CG2-CD1 4.1Å; K160-L164 HydrophobicContact CD-CD2 4.39Å; K160-L164 HydrophobicContact CD-CG 4.41Å; K160-L164 HydrophobicContact CG-CD1 4.41Å; K160-L164 HydrophobicContact CG-CG 4.41Å; K160-L164 VanDerWaalsContact O-CG 3.27Å; K160-L164 WeakPolarHBondContact O-CG 3.5Å; K160-L164 PolarHBondContact O-N 2.85Å; I161-L164 WeakPolarHBondContact O-CB 3.25Å; I161-L164 PolarHBondContact O-N 2.85Å; M162-L164 VanDerWaalsContact C-N 3.35Å; L164-A166 VanDerWaalsContact C-N 3.31Å; L164-A166 PolarHBondContact O-N 2.95Å; L164-H167 WeakPolarHBondContact O-CB 3.43Å; L164-H167 PolarHBondContact O-N 3.26Å; L164-I173 HydrophobicContact CB-CD1 4.06Å; L164-I173 HydrophobicContact CB-CG1 4.04Å; L164-I173 HydrophobicContact CB-CG2 4.48Å
165I97.9Very high97.5Very high64 Ų6455.7 Ų55.733%0.32829%0.293SS..Hα-helixtrans-64-38175.5-71.3165.8000111.2I161 M162 H167 I173 V192I161-I165 HydrophobicContact CG2-CD1 3.86Å; I161-I165 HydrophobicContact CG2-CG1 4.5Å; I161-I165 VanDerWaalsContact O-CG1 3.32Å; I161-I165 WeakPolarHBondContact O-CG1 3.34Å; I161-I165 PolarHBondContact O-N 2.99Å; M162-I165 PolarHBondContact O-N 2.62Å; I165-H167 PolarHBondContact O-N 3.42Å; I165-I173 HydrophobicContact CG1-CB 3.73Å; I165-I173 HydrophobicContact CG1-CG1 3.96Å; I165-I173 HydrophobicContact CG1-CG2 4.13Å; I165-V192 HydrophobicContact CD1-CB 4.4Å; I165-V192 HydrophobicContact CD1-CG2 3.8Å
166A97.8Very high97.5Very high85 Ų8552.6 Ų52.670%0.70228%0.277SS*.Hα-helixtrans-74.5-14.2178.600000113.2M162 E163 L164M162-A166 WeakPolarHBondContact O-CB 3.43Å; M162-A166 PolarHBondContact O-N 2.99Å; E163-A166 PolarHBondContact O-N 3.29Å; L164-A166 VanDerWaalsContact C-N 3.31Å; L164-A166 PolarHBondContact O-N 2.95Å
167H97.1Very high97.4Very high51 Ų5148.1 Ų48.124%0.23626%0.26CS..SBendtrans-71.5131-179.9-166.365.9000110.9L131 L134 N135 E163 L164 I165L131-H167 HydrophobicContact CD2-CB 4.2Å; L134-H167 HydrophobicContact CD1-CB 4.16Å; N135-H167 PolarHBondContact OD1-NE2 2.95Å; E163-H167 PolarHBondContact O-N 3.48Å; E163-H167 VanDerWaalsContact O-N 3.14Å; L164-H167 WeakPolarHBondContact O-CB 3.43Å; L164-H167 PolarHBondContact O-N 3.26Å; I165-H167 PolarHBondContact O-N 3.42Å
168R93Very high97.4Very high196 Ų19650 Ų5074%0.7428%0.279SS*.THydrogen-bonded Turntrans-72.3145.4-172-164.5-164.9162.9171.90.8111.2A170R168-A170 PolarHBondContact O-N 2.98Å
169D89.3Confident97.4Very high117 Ų11748.9 Ų48.963%0.62627%0.273SS*.THydrogen-bonded Turntrans58.726.9171.9-54.1-45.5000113.5A138A138-D169 WeakPolarHBondContact CB-O 3.47Å
170A93.1Very high97.4Very high32 Ų3250.5 Ų50.526%0.26427%0.265SS..PPolyproline II helixtrans-90.2157.4177.200000112.6L134 R168L134-A170 HydrophobicContact CB-CB 4.26Å; L134-A170 HydrophobicContact CD1-CB 4.03Å; L134-A170 HydrophobicContact CD2-CB 4.46Å; R168-A170 PolarHBondContact O-N 2.98Å
171P98.1Very high97.4Very high13 Ų1348.4 Ų48.48%0.08426%0.258CS..PPolyproline II helixtrans-58.9165.4167.9-21.433.6000112.3L137 I142 V145 I173L137-P171 HydrophobicContact CB-CG 4.08Å; I142-P171 HydrophobicContact CB-CG 4.13Å; I142-P171 HydrophobicContact CG2-CB 4.21Å; I142-P171 HydrophobicContact CG2-CG 4.13Å; I142-P171 WeakPolarHBondContact O-CB 3.49Å; I142-P171 WeakPolarHBondContact O-CG 3.09Å; V145-P171 HydrophobicContact CG2-CB 4.15Å; V145-P171 HydrophobicContact CG2-CG 4.26Å; P171-I173 PolarHBondContact O-N 3.08Å
172I98.6Very high97.4Very high68 Ų6854.6 Ų54.635%0.34929%0.287SS..EExtended strand (participates in β ladder)trans-60128.2175.1-61173.3000109.8A143 R144 V145 E194A143-I172 PolarHBondContact O-N 3.19Å; A143-I172 VanDerWaalsContact O-N 3.15Å; R144-I172 CarbonylContact C-O 3.49Å; R144-I172 WeakPolarHBondContact CA-O 3.3Å; R144-I172 HydrophobicContact CB-CB 3.98Å; R144-I172 WeakPolarHBondContact CB-O 3.47Å; V145-I172 PolarHBondContact N-O 2.85Å; I172-E194 HydrophobicContact CG2-CB 4.44Å; I172-E194 HydrophobicContact CG2-CG 3.75Å
173I98.8Very high97.4Very high8 Ų850.5 Ų50.54%0.04127%0.267CS..EExtended strand (participates in β ladder)trans-87.9118.5175.7-53.7-56000109.4L134 V145 T147 I161 L164 I165 P171L134-I173 HydrophobicContact CD1-CD1 4.34Å; L134-I173 HydrophobicContact CD2-CD1 3.73Å; V145-I173 HydrophobicContact CB-CD1 4.28Å; T147-I173 HydrophobicContact CG2-CG2 3.69Å; I161-I173 HydrophobicContact CG2-CG2 4.01Å; L164-I173 HydrophobicContact CB-CD1 4.06Å; L164-I173 HydrophobicContact CB-CG1 4.04Å; L164-I173 HydrophobicContact CB-CG2 4.48Å; I165-I173 HydrophobicContact CG1-CB 3.73Å; I165-I173 HydrophobicContact CG1-CG1 3.96Å; I165-I173 HydrophobicContact CG1-CG2 4.13Å; P171-I173 PolarHBondContact O-N 3.08Å
174M98.9Very high97.4Very high0 Ų046.7 Ų46.70%025%0.249CC..EExtended strand (participates in β ladder)trans-106.3114.6176.2-178.2160.265.800110E5 R24 T119 V145 L146 T147 E194 H196E5-M174 HydrophobicContact CB-SD 4Å; E5-M174 WeakPolarHBondContact OE1-CE 3.5Å; R24-M174 PolarHBondContact NH2-SD 3.17Å; T119-M174 HydrophobicContact CG2-CE 4.16Å; V145-M174 PolarHBondContact O-N 3.18Å; L146-M174 WeakPolarHBondContact CA-O 3.41Å; L146-M174 HydrophobicContact CB-CE 4.17Å; L146-M174 HydrophobicContact CD1-CE 4.15Å; L146-M174 HydrophobicContact CD1-CG 4.25Å; T147-M174 PolarHBondContact N-O 3.14Å; M174-E194 VanDerWaalsContact CA-O 3.25Å; M174-E194 WeakPolarHBondContact CA-O 3.02Å; M174-E194 HydrophobicContact CB-CB 3.94Å; M174-E194 HydrophobicContact CG-CB 3.8Å; M174-E194 HydrophobicContact SD-CB 3.92Å; M174-H196 HydrophobicContact CE-CB 4.33Å; M174-H196 HydrophobicContact CG-CB 3.93Å; M174-H196 HydrophobicContact SD-CB 4.07Å
175A98.9Very high97.4Very high0 Ų050.4 Ų50.40%027%0.267CS..EExtended strand (participates in β ladder)trans-74.6130179.600000110.6T147 I161 F187 V192 E194 H196T147-A175 WeakPolarHBondContact O-CA 3.38Å; I161-A175 HydrophobicContact CD1-CB 3.99Å; A175-F187 HydrophobicContact CB-CD1 3.86Å; A175-F187 HydrophobicContact CB-CE1 4.33Å; A175-F187 HydrophobicContact CB-CG 4.36Å; A175-V192 HydrophobicContact CB-CG1 3.76Å; A175-V192 HydrophobicContact CB-CG2 4.32Å; A175-E194 PolarHBondContact N-O 3.29Å; A175-E194 VanDerWaalsContact N-O 3.09Å; A175-H196 PolarHBondContact O-N 3.26Å
176G98.4Very high97.4Very high0 Ų051 Ų510%027%0.268CS..EExtended strand (participates in β ladder)trans-152.4169.317900000113.8T147 S148 A154T147-G176 PolarHBondContact O-N 2.87Å; S148-G176 VanDerWaalsContact CA-O 3.31Å; S148-G176 WeakPolarHBondContact CA-O 3.28Å; S148-G176 VanDerWaalsContact CB-O 3.27Å; S148-G176 WeakPolarHBondContact CB-O 3.27Å; A154-G176 WeakPolarHBondContact CB-O 3.31Å
177A97.6Very high97.5Very high22 Ų2246.9 Ų46.918%0.18223%0.234CC..SBendtrans78.5107.1-165.200000113.7A154 V179A154-A177 PolarHBondContact N-O 2.86Å; A177-V179 VanDerWaalsContact C-N 3.27Å; A177-V179 PolarHBondContact O-N 2.73Å
178G97.7Very high97.6Very high40 Ų4045.1 Ų45.141%0.41223%0.226SC..SBendtrans77.83.9176.300000115.4R180 N183G178-R180 PolarHBondContact O-N 3.23Å; G178-R180 PolarHBondContact O-NH1 2.97Å; G178-N183 PolarHBondContact O-ND2 2.88Å
179V98.7Very high97.8Very high5 Ų541 Ų413%0.0322%0.219CC..  trans-69126.3175-175.30000110A154 A177 L184 F187 V195 S197A154-V179 HydrophobicContact CB-CG2 3.98Å; A177-V179 VanDerWaalsContact C-N 3.27Å; A177-V179 PolarHBondContact O-N 2.73Å; V179-L184 HydrophobicContact CG1-CD1 3.96Å; V179-F187 HydrophobicContact CB-CE2 4.24Å; V179-F187 HydrophobicContact CG1-CD2 3.99Å; V179-F187 HydrophobicContact CG1-CE2 3.92Å; V179-F187 HydrophobicContact CG2-CD2 4.32Å; V179-F187 HydrophobicContact CG2-CE2 3.8Å; V179-F187 HydrophobicContact CG2-CZ 3.95Å; V179-V195 HydrophobicContact CG1-CB 4.32Å; V179-S197 WeakPolarHBondContact O-CB 3.44Å; V179-S197 PolarHBondContact O-OG 3.33Å
180R98.7Very high98.2Very high128 Ų12836.4 Ų36.448%0.48320%0.197SC..  trans-156.1171.1-176.855.4-179.6-175.5-84.15.3110.3G178 E182 N183 L184G178-R180 PolarHBondContact O-N 3.23Å; G178-R180 PolarHBondContact O-NH1 2.97Å; R180-E182 WeakPolarHBondContact CB-OE2 3.37Å; R180-E182 WeakPolarHBondContact CD-OE2 3.45Å; R180-E182 WeakPolarHBondContact CG-OE2 3.47Å; R180-E182 IonicContact NE-OE2 3.86Å; R180-E182 PolarHBondContact O-N 3.07Å; R180-E182 VanDerWaalsContact O-N 3.11Å; R180-N183 PolarHBondContact N-OD1 3.11Å; R180-N183 PolarHBondContact O-N 3.39Å; R180-N183 VanDerWaalsContact O-N 3.15Å; R180-N183 PolarHBondContact O-OD1 3.4Å; R180-L184 WeakPolarHBondContact O-CB 3.37Å; R180-L184 PolarHBondContact O-N 2.95Å
181A98.6Very high98.4Very high12 Ų1236.7 Ų36.710%0.09920%0.203CC..THydrogen-bonded Turntrans-50.1-41.6-175.700000113.2N183 E237 M238 I241A181-N183 VanDerWaalsContact C-N 3.35Å; A181-N183 PolarHBondContact O-N 2.9Å; A181-E237 HydrophobicContact CB-CG 3.87Å; A181-M238 HydrophobicContact CB-CG 4.11Å; A181-I241 HydrophobicContact CB-CD1 3.85Å; A181-I241 WeakPolarHBondContact O-CD1 3.41Å
182E98.5Very high98.4Very high130 Ų13036.2 Ų36.261%0.60720%0.2SC*.THydrogen-bonded Turntrans-65.4-33.8-175.1-59.686.1164.200113.5R180 H185R180-E182 WeakPolarHBondContact CB-OE2 3.37Å; R180-E182 WeakPolarHBondContact CD-OE2 3.45Å; R180-E182 WeakPolarHBondContact CG-OE2 3.47Å; R180-E182 IonicContact NE-OE2 3.86Å; R180-E182 PolarHBondContact O-N 3.07Å; R180-E182 VanDerWaalsContact O-N 3.11Å; E182-H185 PolarHBondContact O-CE1 3.47Å; E182-H185 VanDerWaalsContact O-CE1 3.27Å; E182-H185 PolarHBondContact O-ND1 2.95Å
183N98.7Very high98.4Very high9 Ų938.7 Ų38.75%0.04821%0.213CC..THydrogen-bonded Turntrans-110.6-0.8-177.463.114000113.6L155 G178 R180 A181 H185 H186 F187L155-N183 HydrophobicContact CD2-CB 4.18Å; G178-N183 PolarHBondContact O-ND2 2.88Å; R180-N183 PolarHBondContact N-OD1 3.11Å; R180-N183 PolarHBondContact O-N 3.39Å; R180-N183 VanDerWaalsContact O-N 3.15Å; R180-N183 PolarHBondContact O-OD1 3.4Å; A181-N183 VanDerWaalsContact C-N 3.35Å; A181-N183 PolarHBondContact O-N 2.9Å; N183-H185 VanDerWaalsContact C-N 3.28Å; N183-H185 PolarHBondContact O-N 3.03Å; N183-H186 WeakPolarHBondContact O-CB 3.5Å; N183-H186 PolarHBondContact O-N 3.32Å; N183-H186 VanDerWaalsContact O-N 3.17Å; N183-F187 HydrophobicContact CB-CE2 4.44Å; N183-F187 WeakPolarHBondContact O-CD2 3.44Å; N183-F187 WeakPolarHBondContact O-CE2 3.31Å
184L98.7Very high98.4Very high0 Ų038.9 Ų38.90%021%0.214CC..Hα-helixtrans-57.8-39.9-174-175.653.7000112.9V179 R180 H186 F187 L188 V195 M238 I241 I242V179-L184 HydrophobicContact CG1-CD1 3.96Å; R180-L184 WeakPolarHBondContact O-CB 3.37Å; R180-L184 PolarHBondContact O-N 2.95Å; L184-H186 PolarHBondContact O-N 3.32Å; L184-F187 PolarHBondContact O-N 3.45Å; L184-F187 VanDerWaalsContact O-N 3.07Å; L184-L188 HydrophobicContact CD1-CD2 4.49Å; L184-L188 HydrophobicContact CD1-CG 4.42Å; L184-L188 HydrophobicContact CG-CD1 4.12Å; L184-L188 HydrophobicContact CG-CG 4.29Å; L184-L188 WeakPolarHBondContact O-CG 3.38Å; L184-L188 PolarHBondContact O-N 3.15Å; L184-V195 HydrophobicContact CD1-CB 4.2Å; L184-V195 HydrophobicContact CD1-CG1 3.94Å; L184-V195 HydrophobicContact CD1-CG2 3.91Å; L184-M238 HydrophobicContact CD2-CB 3.79Å; L184-M238 HydrophobicContact CD2-CG 4.01Å; L184-M238 WeakPolarHBondContact CD2-O 3.42Å; L184-I241 HydrophobicContact CB-CG2 4.36Å; L184-I241 HydrophobicContact CD2-CB 4.11Å; L184-I241 HydrophobicContact CD2-CG2 4Å; L184-I241 HydrophobicContact CG-CG2 4.21Å; L184-I242 HydrophobicContact CD2-CD1 4.18Å; L184-I242 HydrophobicContact CD2-CG1 3.94Å
185H98.4Very high98.4Very high79 Ų7938.9 Ų38.937%0.36621%0.214SC..Hα-helixtrans-56.8-35-179.367-80.6000113.2E182 N183 F187 L188 D189E182-H185 PolarHBondContact O-CE1 3.47Å; E182-H185 VanDerWaalsContact O-CE1 3.27Å; E182-H185 PolarHBondContact O-ND1 2.95Å; N183-H185 VanDerWaalsContact C-N 3.28Å; N183-H185 PolarHBondContact O-N 3.03Å; H185-F187 VanDerWaalsContact C-N 3.28Å; H185-F187 PolarHBondContact O-N 3.38Å; H185-L188 PolarHBondContact O-N 3.22Å; H185-D189 WeakPolarHBondContact O-CB 3.26Å; H185-D189 PolarHBondContact O-N 3.28Å
186H98.7Very high98.4Very high75 Ų7539.7 Ų39.735%0.34722%0.218SC..Hα-helixtrans-60.2-37.6177.5-66.2-62.3000112.7L155 L158 N183 L184 A190L155-H186 HydrophobicContact CD1-CB 3.76Å; L158-H186 HydrophobicContact CD2-CB 4.05Å; N183-H186 WeakPolarHBondContact O-CB 3.5Å; N183-H186 PolarHBondContact O-N 3.32Å; N183-H186 VanDerWaalsContact O-N 3.17Å; L184-H186 PolarHBondContact O-N 3.32Å; H186-A190 WeakPolarHBondContact O-CB 3.4Å; H186-A190 PolarHBondContact O-N 2.65Å
187F98.8Very high98.5Very high0 Ų040 Ų400%022%0.22CC..Hα-helixtrans-74.7-41.6178.8-54-69.2000111.2A154 L155 L158 A175 V179 N183 L184 H185 A190 G191 V192 V195A154-F187 HydrophobicContact CB-CE1 3.48Å; A154-F187 VanDerWaalsContact CB-CE1 3.48Å; A154-F187 HydrophobicContact CB-CZ 3.61Å; L155-F187 HydrophobicContact CB-CZ 4.22Å; L158-F187 HydrophobicContact CD1-CD1 3.68Å; L158-F187 HydrophobicContact CD1-CE1 4.04Å; A175-F187 HydrophobicContact CB-CD1 3.86Å; A175-F187 HydrophobicContact CB-CE1 4.33Å; A175-F187 HydrophobicContact CB-CG 4.36Å; V179-F187 HydrophobicContact CB-CE2 4.24Å; V179-F187 HydrophobicContact CG1-CD2 3.99Å; V179-F187 HydrophobicContact CG1-CE2 3.92Å; V179-F187 HydrophobicContact CG2-CD2 4.32Å; V179-F187 HydrophobicContact CG2-CE2 3.8Å; V179-F187 HydrophobicContact CG2-CZ 3.95Å; N183-F187 HydrophobicContact CB-CE2 4.44Å; N183-F187 WeakPolarHBondContact O-CD2 3.44Å; N183-F187 WeakPolarHBondContact O-CE2 3.31Å; L184-F187 PolarHBondContact O-N 3.45Å; L184-F187 VanDerWaalsContact O-N 3.07Å; H185-F187 VanDerWaalsContact C-N 3.28Å; H185-F187 PolarHBondContact O-N 3.38Å; F187-A190 PolarHBondContact O-N 2.95Å; F187-G191 PolarHBondContact O-N 3.5Å; F187-V192 HydrophobicContact CB-CB 4.01Å; F187-V192 HydrophobicContact CB-CG1 4.48Å; F187-V192 HydrophobicContact CB-CG2 3.9Å; F187-V192 HydrophobicContact CD1-CG2 4.46Å; F187-V192 VanDerWaalsContact O-CB 3.24Å; F187-V192 WeakPolarHBondContact O-CB 3.41Å; F187-V192 VanDerWaalsContact O-CG2 3.3Å; F187-V192 WeakPolarHBondContact O-CG2 3.44Å; F187-V192 PolarHBondContact O-N 2.87Å; F187-V195 HydrophobicContact CB-CG1 4.17Å
188L98.5Very high98.5Very high13 Ų1341 Ų417%0.06823%0.225CC..Hα-helixtrans-64.3-44.7178.7-56.7-179000111.4A2 L184 H185 A190 G191 I241 I242 H245A2-L188 HydrophobicContact CB-CD2 3.46Å; A2-L188 VanDerWaalsContact CB-CD2 3.46Å; L184-L188 HydrophobicContact CD1-CD2 4.49Å; L184-L188 HydrophobicContact CD1-CG 4.42Å; L184-L188 HydrophobicContact CG-CD1 4.12Å; L184-L188 HydrophobicContact CG-CG 4.29Å; L184-L188 WeakPolarHBondContact O-CG 3.38Å; L184-L188 PolarHBondContact O-N 3.15Å; H185-L188 PolarHBondContact O-N 3.22Å; L188-A190 PolarHBondContact O-N 3.04Å; L188-G191 PolarHBondContact O-N 2.87Å; L188-G191 VanDerWaalsContact O-N 3.11Å; L188-I241 HydrophobicContact CD1-CG2 4.07Å; L188-I242 HydrophobicContact CD1-CG1 4.01Å; L188-I242 HydrophobicContact CD2-CG1 4.11Å; L188-H245 HydrophobicContact CD1-CB 3.7Å
189D98.3Very high98.5Very high109 Ų10939.5 Ų39.558%0.58321%0.209SC*.Hα-helixtrans-64.5-30.3175.8-67.6-25000112.1H185 G191 H245H185-D189 WeakPolarHBondContact O-CB 3.26Å; H185-D189 PolarHBondContact O-N 3.28Å; D189-G191 PolarHBondContact O-N 3.17Å; D189-H245 IonicContact OD1-CD2 3.46Å; D189-H245 PolarHBondContact OD1-CD2 2.69Å; D189-H245 IonicContact OD1-CE1 3.84Å; D189-H245 IonicContact OD1-NE2 2.71Å; D189-H245 PolarHBondContact OD1-NE2 3.19Å
190A98Very high98.4Very high21 Ų2140.8 Ų40.817%0.17422%0.224CC..THydrogen-bonded Turntrans-78.6-1175.900000114.1L158 M162 H186 F187 L188L158-A190 HydrophobicContact CD1-CB 3.81Å; L158-A190 HydrophobicContact CG-CB 4.41Å; M162-A190 HydrophobicContact CG-CB 3.87Å; M162-A190 HydrophobicContact SD-CB 3.97Å; H186-A190 WeakPolarHBondContact O-CB 3.4Å; H186-A190 PolarHBondContact O-N 2.65Å; F187-A190 PolarHBondContact O-N 2.95Å; L188-A190 PolarHBondContact O-N 3.04Å
191G97.5Very high98.4Very high38 Ų3836.1 Ų36.139%0.39221%0.213SC..THydrogen-bonded Turntrans80.618.4179.300000114.7F187 L188 D189 L193F187-G191 PolarHBondContact O-N 3.5Å; L188-G191 PolarHBondContact O-N 2.87Å; L188-G191 VanDerWaalsContact O-N 3.11Å; D189-G191 PolarHBondContact O-N 3.17Å; G191-L193 PolarHBondContact O-N 3.24Å
192V98.5Very high98.3Very high4 Ų443.7 Ų43.72%0.02424%0.239CC..  trans-65.8123.5173.7178.10000109.7I161 I165 A175 F187 E194 V195I161-V192 HydrophobicContact CG2-CG2 3.92Å; I165-V192 HydrophobicContact CD1-CB 4.4Å; I165-V192 HydrophobicContact CD1-CG2 3.8Å; A175-V192 HydrophobicContact CB-CG1 3.76Å; A175-V192 HydrophobicContact CB-CG2 4.32Å; F187-V192 HydrophobicContact CB-CB 4.01Å; F187-V192 HydrophobicContact CB-CG1 4.48Å; F187-V192 HydrophobicContact CB-CG2 3.9Å; F187-V192 HydrophobicContact CD1-CG2 4.46Å; F187-V192 VanDerWaalsContact O-CB 3.24Å; F187-V192 WeakPolarHBondContact O-CB 3.41Å; F187-V192 VanDerWaalsContact O-CG2 3.3Å; F187-V192 WeakPolarHBondContact O-CG2 3.44Å; F187-V192 PolarHBondContact O-N 2.87Å; V192-E194 WeakPolarHBondContact CG1-O 3.17Å; V192-V195 HydrophobicContact CG1-CG1 3.94Å
193L98.4Very high98.3Very high119 Ų11942.5 Ų42.562%0.62323%0.233SC*.SBendtrans-88.3-25.7-174.5-59.8-178.7000114A2 L3 G191A2-L193 CarbonylContact C-O 3.6Å; A2-L193 WeakPolarHBondContact CA-O 3.46Å; L3-L193 PolarHBondContact N-O 3.11Å; G191-L193 PolarHBondContact O-N 3.24Å
194E98.9Very high98.2Very high13 Ų1345.6 Ų45.66%0.06126%0.26CS..EExtended strand (participates in β ladder)trans-133.7137.2175.9-55.4-167.5153.300109.2L3 R24 R144 I172 M174 A175 V192L3-E194 HydrophobicContact CB-CB 4.42Å; L3-E194 HydrophobicContact CB-CG 3.99Å; L3-E194 WeakPolarHBondContact O-CA 3.28Å; R24-E194 IonicContact CZ-OE1 3.23Å; R24-E194 IonicContact CZ-OE2 3.29Å; R24-E194 IonicContact NH1-OE1 2.68Å; R24-E194 PolarHBondContact NH1-OE1 3.17Å; R24-E194 IonicContact NH1-OE2 3.63Å; R24-E194 IonicContact NH2-OE1 3.6Å; R24-E194 IonicContact NH2-OE2 3.51Å; R24-E194 PolarHBondContact NH2-OE2 3.27Å; R144-E194 WeakPolarHBondContact CD-OE2 3.27Å; R144-E194 IonicContact CZ-OE2 2.78Å; R144-E194 IonicContact NE-OE1 3.65Å; R144-E194 IonicContact NE-OE2 3.83Å; R144-E194 PolarHBondContact NE-OE2 3Å; R144-E194 IonicContact NH2-OE1 3.82Å; I172-E194 HydrophobicContact CG2-CB 4.44Å; I172-E194 HydrophobicContact CG2-CG 3.75Å; M174-E194 VanDerWaalsContact CA-O 3.25Å; M174-E194 WeakPolarHBondContact CA-O 3.02Å; M174-E194 HydrophobicContact CB-CB 3.94Å; M174-E194 HydrophobicContact CG-CB 3.8Å; M174-E194 HydrophobicContact SD-CB 3.92Å; A175-E194 PolarHBondContact N-O 3.29Å; A175-E194 VanDerWaalsContact N-O 3.09Å; V192-E194 WeakPolarHBondContact CG1-O 3.17Å
195V98.9Very high98.1Very high0 Ų046 Ų460%026%0.263CS..EExtended strand (participates in β ladder)trans-123.9143.1176.8-67.60000110.2L3 L4 E5 V179 L184 F187 V192 I242L3-V195 PolarHBondContact O-N 3.31Å; L4-V195 HydrophobicContact CD1-CG2 3.85Å; E5-V195 PolarHBondContact N-O 3.47Å; V179-V195 HydrophobicContact CG1-CB 4.32Å; L184-V195 HydrophobicContact CD1-CB 4.2Å; L184-V195 HydrophobicContact CD1-CG1 3.94Å; L184-V195 HydrophobicContact CD1-CG2 3.91Å; F187-V195 HydrophobicContact CB-CG1 4.17Å; V192-V195 HydrophobicContact CG1-CG1 3.94Å; V195-I242 HydrophobicContact CG2-CD1 4.01Å
196H98.9Very high98Very high17 Ų1747 Ų478%0.07928%0.277CS..EExtended strand (participates in β ladder)trans-119.8120.6-179.8176.197.4000109.9E5 E26 L146 M174 A175E5-H196 WeakPolarHBondContact O-CA 3.4Å; E5-H196 IonicContact OE1-CE1 2.65Å; E5-H196 IonicContact OE1-CG 3.79Å; E5-H196 IonicContact OE1-ND1 2.95Å; E5-H196 PolarHBondContact OE1-ND1 3.24Å; E26-H196 IonicContact OE2-CE1 3.52Å; E26-H196 PolarHBondContact OE2-CE1 2.86Å; E26-H196 VanDerWaalsContact OE2-CE1 3.23Å; E26-H196 IonicContact OE2-NE2 3.56Å; L146-H196 HydrophobicContact CD1-CB 3.42Å; L146-H196 VanDerWaalsContact CD1-CB 3.42Å; M174-H196 HydrophobicContact CE-CB 4.33Å; M174-H196 HydrophobicContact CG-CB 3.93Å; M174-H196 HydrophobicContact SD-CB 4.07Å; A175-H196 PolarHBondContact O-N 3.26Å
197S98.8Very high97.9Very high5 Ų547.9 Ų47.94%0.03528%0.282CS..EExtended strand (participates in β ladder)trans-128.4150.4177.8-174.90000110.9E5 I6 C7 V179 A199E5-S197 PolarHBondContact O-N 3.18Å; I6-S197 CarbonylContact C-O 3.54Å; I6-S197 VanDerWaalsContact CA-O 3.29Å; I6-S197 WeakPolarHBondContact CA-O 3.46Å; C7-S197 PolarHBondContact N-O 3.36Å; V179-S197 WeakPolarHBondContact O-CB 3.44Å; V179-S197 PolarHBondContact O-OG 3.33Å; S197-A199 PolarHBondContact OG-N 2.97Å; S197-A199 VanDerWaalsContact OG-N 3.15Å
198S98.1Very high97.8Very high43 Ų4359.3 Ų59.330%0.30133%0.325SS..  trans-79.5-22.5168.562.40000112.9G200 Y228S198-G200 PolarHBondContact O-N 3.36Å; S198-Y228 VanDerWaalsContact CB-OH 3.25Å; S198-Y228 WeakPolarHBondContact CB-OH 3.45Å; S198-Y228 PolarHBondContact OG-OH 2.56Å
199A98.1Very high97.7Very high9 Ų966.9 Ų66.97%0.07435%0.354CS..  trans42.236.4-169.700000112.6I6 S197 V230 D231 A234 V235 M238I6-A199 HydrophobicContact CD1-CB 4.12Å; I6-A199 HydrophobicContact CG2-CB 4.35Å; S197-A199 PolarHBondContact OG-N 2.97Å; S197-A199 VanDerWaalsContact OG-N 3.15Å; A199-V230 HydrophobicContact CB-CG1 4.29Å; A199-D231 PolarHBondContact O-N 3.4Å; A199-A234 HydrophobicContact CB-CB 4.32Å; A199-V235 HydrophobicContact CB-CG2 3.53Å; A199-M238 HydrophobicContact CB-CE 3.71Å
200G97.1Very high97.6Very high33 Ų3366.8 Ų66.834%0.3435%0.345SS..EExtended strand (participates in β ladder)trans-84.9141.7-163.200000113.5S198 Y228 V229S198-G200 PolarHBondContact O-N 3.36Å; G200-Y228 WeakPolarHBondContact CA-OH 3.23Å; G200-V229 CarbonylContact C-O 3.5Å; G200-V229 WeakPolarHBondContact CA-O 3.4Å
201A98.1Very high97.3Very high30 Ų3069.8 Ų69.825%0.24836%0.359CS..EExtended strand (participates in β ladder)trans-131.8160170.700000110.7V229 D231A201-V229 PolarHBondContact N-O 2.91Å; A201-V229 PolarHBondContact O-N 2.87Å; A201-D231 HydrophobicContact CB-CB 3.94Å
202W97.3Very high96.5Very high171 Ų17176.2 Ų76.265%0.64838%0.378SS*.EExtended strand (participates in β ladder)trans-97.7124.3174.5-68.7103.2000110.3R227 Y228W202-R227 WeakPolarHBondContact CA-O 3.23Å; W202-Y228 HydrophobicContact CD2-CD2 4.2Å; W202-Y228 AromaticContact CE2-CD2 3.96Å; W202-Y228 HydrophobicContact CE3-CD2 4.39Å; W202-Y228 HydrophobicContact CH2-CD2 4.23Å; W202-Y228 AromaticContact CZ2-CD2 3.98Å; W202-Y228 HydrophobicContact CZ2-CD2 3.98Å; W202-Y228 HydrophobicContact CZ3-CD2 4.42Å
203Q97.5Very high95.9Very high105 Ų10580 Ų8049%0.49142%0.418SS..EExtended strand (participates in β ladder)trans-105124.3173-174.1-175.166.500109.9R227 V229Q203-R227 PolarHBondContact N-O 2.92Å; Q203-R227 WeakPolarHBondContact O-CD 3.1Å; Q203-R227 PolarHBondContact O-N 3.17Å; Q203-V229 HydrophobicContact CB-CG1 4.3Å; Q203-V229 HydrophobicContact CB-CG2 3.95Å
204A97.2Very high95.4Very high73 Ų7379.1 Ų79.160%0.60341%0.414SS*.  trans-63.8144.8176.700000112
205S96.7Very high95Very high10 Ų1080 Ų807%0.0742%0.422CS..  trans-62.1138.6172.9-170.10000111.6M207 Y225 R227S205-M207 PolarHBondContact O-N 3.25Å; S205-M207 VanDerWaalsContact OG-CB 3.23Å; S205-M207 WeakPolarHBondContact OG-CB 3.36Å; S205-M207 WeakPolarHBondContact OG-CG 3.44Å; S205-M207 PolarHBondContact OG-N 2.88Å; S205-Y225 VanDerWaalsContact CA-O 3.27Å; S205-Y225 WeakPolarHBondContact CA-O 3.49Å; S205-Y225 WeakPolarHBondContact CB-O 3.47Å; S205-Y225 PolarHBondContact N-O 3.25Å; S205-R227 PolarHBondContact OG-NH2 3.12Å
206P96.5Very high94.6Very high100 Ų10087.4 Ų87.465%0.64946%0.458SS*.  trans-72-2.4165.734.5-36.7000112.5R208P206-R208 PolarHBondContact O-N 2.84Å
207M96.5Very high94.1Very high92 Ų9288.4 Ų88.445%0.45347%0.467SS..  trans-58.8119.7176.8-75.5-66.6-72.200110.9S205 R210 Y225S205-M207 PolarHBondContact O-N 3.25Å; S205-M207 VanDerWaalsContact OG-CB 3.23Å; S205-M207 WeakPolarHBondContact OG-CB 3.36Å; S205-M207 WeakPolarHBondContact OG-CG 3.44Å; S205-M207 PolarHBondContact OG-N 2.88Å; M207-R210 PolarHBondContact O-NH2 2.99Å; M207-Y225 HydrophobicContact CB-CD1 3.94Å; M207-Y225 HydrophobicContact CB-CE1 3.9Å; M207-Y225 HydrophobicContact CG-CD1 4.17Å; M207-Y225 HydrophobicContact CG-CE1 4.03Å
208R96.8Very high93.6Very high240 Ų24094.5 Ų94.591%0.90651%0.509SS*.SBendtrans-83.6-39.1178.5-68.617158.7-167-1.9112.2P206P206-R208 PolarHBondContact O-N 2.84Å
209Y96.5Very high93.2Very high173 Ų17396.1 Ų96.168%0.67852%0.515SS*.SBendtrans-92.6138.4171.4176.5-96.5000110N211Y209-N211 HydrophobicContact CE1-CB 4.49Å
210R95Very high92.7Very high106 Ų10699.4 Ų99.440%0.454%0.541SS..  trans-133.3130178.3-62.7-174.1177.487.51.7110.6M207 Q212 Y225M207-R210 PolarHBondContact O-NH2 2.99Å; R210-Q212 HydrophobicContact CB-CG 4.33Å; R210-Q212 PolarHBondContact O-N 2.76Å; R210-Y225 WeakPolarHBondContact CA-OH 3.2Å; R210-Y225 HydrophobicContact CB-CD2 4.49Å; R210-Y225 HydrophobicContact CB-CE2 3.71Å; R210-Y225 HydrophobicContact CG-CD1 4.41Å; R210-Y225 HydrophobicContact CG-CD2 4.06Å; R210-Y225 HydrophobicContact CG-CE1 4.07Å; R210-Y225 HydrophobicContact CG-CE2 3.68Å; R210-Y225 HydrophobicContact CG-CG 4.41Å
211N91.9Very high92.2Very high85 Ų85106.2 Ų106.246%0.45556%0.564SS.*  trans-88.298.4170-174.323.5000108.5Y209 G213 Y225Y209-N211 HydrophobicContact CE1-CB 4.49Å; N211-G213 PolarHBondContact O-N 3.41Å; N211-Y225 PolarHBondContact N-OH 3.46Å
212Q82Confident91.7Very high172 Ų172105.5 Ų105.580%0.80456%0.558SS**THydrogen-bonded Turntrans-86.6104.4-177.2-59-164.1100109.1R210R210-Q212 HydrophobicContact CB-CG 4.33Å; R210-Q212 PolarHBondContact O-N 2.76Å
213G84.6Confident91.4Very high84 Ų84101.5 Ų101.587%0.86655%0.549SS*.THydrogen-bonded Turntrans141.43.4-178.100000114.7N211N211-G213 PolarHBondContact O-N 3.41Å
214L88.6Confident91.1Very high101 Ų10199.9 Ų99.953%0.52954%0.542SS..  trans-127.2138.8174.6-172141.1000109.8M216L214-M216 HydrophobicContact CD2-CG 4.11Å; L214-M216 HydrophobicContact CD2-SD 3.73Å
215S89.5Confident91Very high32 Ų3299.1 Ų99.122%0.22452%0.524CS..  trans-119.3136.2167.5176.30000107.9S217 D219 E224S215-S217 WeakPolarHBondContact OG-CB 3.49Å; S215-S217 PolarHBondContact OG-N 3.27Å; S215-S217 VanDerWaalsContact OG-N 3.14Å; S215-S217 PolarHBondContact OG-O 2.88Å; S215-D219 PolarHBondContact OG-O 3.07Å; S215-E224 WeakPolarHBondContact CA-OE1 3.4Å; S215-E224 PolarHBondContact OG-OE1 2.93Å
216M91.4Very high90.9Very high154 Ų154100.4 Ų100.476%0.75953%0.533SS*.SBendtrans-86.4-16.5169.9-65.3-62.1-59.200111.3L214 E224L214-M216 HydrophobicContact CD2-CG 4.11Å; L214-M216 HydrophobicContact CD2-SD 3.73Å; M216-E224 PolarHBondContact N-OE1 3.33Å
217S89Confident90.9Very high39 Ų39100.2 Ų100.227%0.27352%0.519SS..SBendtrans-80.1156.4176.9-176.80000111.3S215 D219 E224S215-S217 WeakPolarHBondContact OG-CB 3.49Å; S215-S217 PolarHBondContact OG-N 3.27Å; S215-S217 VanDerWaalsContact OG-N 3.14Å; S215-S217 PolarHBondContact OG-O 2.88Å; S217-D219 PolarHBondContact O-N 3.31Å; S217-D219 PolarHBondContact OG-N 2.96Å; S217-E224 PolarHBondContact N-OE1 3.07Å
218S88.1Confident90.9Very high132 Ų13298.8 Ų98.892%0.92351%0.509SS*.SBendtrans-61.5-23.4166.252.10000112.3
219D88.6Confident91Very high78 Ų7889.3 Ų89.342%0.41748%0.478SS..SBendtrans-83.2112.5168.6175.712.7000110.9S215 S217 H221 A222S215-D219 PolarHBondContact OG-O 3.07Å; S217-D219 PolarHBondContact O-N 3.31Å; S217-D219 PolarHBondContact OG-N 2.96Å; D219-H221 PolarHBondContact O-N 3.26Å; D219-H221 PolarHBondContact OD1-N 2.8Å; D219-A222 HydrophobicContact CB-CB 4.2Å; D219-A222 VanDerWaalsContact O-CB 3.28Å; D219-A222 WeakPolarHBondContact O-CB 3.27Å; D219-A222 PolarHBondContact O-N 2.82Å
220A87.4Confident91.1Very high77 Ų7781.7 Ų81.764%0.63645%0.449SS*.THydrogen-bonded Turntrans-64.2-17179.300000114
221H87.1Confident91.3Very high176 Ų17679.9 Ų79.982%0.81545%0.448SS*.THydrogen-bonded Turntrans-105.87.4-179.7-58.7-56.1000113.2D219 D223D219-H221 PolarHBondContact O-N 3.26Å; D219-H221 PolarHBondContact OD1-N 2.8Å; H221-D223 PolarHBondContact O-N 3.01Å
222A86.8Confident91.6Very high15 Ų1576.2 Ų76.212%0.12443%0.43CS..  trans-57.7132.7177.300000111.8D219 E224D219-A222 HydrophobicContact CB-CB 4.2Å; D219-A222 VanDerWaalsContact O-CB 3.28Å; D219-A222 WeakPolarHBondContact O-CB 3.27Å; D219-A222 PolarHBondContact O-N 2.82Å; A222-E224 PolarHBondContact O-N 2.83Å
223D90.8Very high92.4Very high87 Ų8771.1 Ų71.147%0.46542%0.418SS..  trans-68.5113.2165.2-174-12.1000109.6H221 Y225 S226H221-D223 PolarHBondContact O-N 3.01Å; D223-Y225 WeakPolarHBondContact OD1-CA 3.45Å; D223-Y225 PolarHBondContact OD1-N 3.2Å; D223-S226 PolarHBondContact OD1-N 3.32Å; D223-S226 WeakPolarHBondContact OD2-CB 3.07Å; D223-S226 PolarHBondContact OD2-OG 3.12Å
224E92.5Very high93.1Very high71 Ų7168.3 Ų68.333%0.33239%0.386SS..SBendtrans-81.6-17178.5-69.5-60.7155.700113.6S215 M216 S217 A222S215-E224 WeakPolarHBondContact CA-OE1 3.4Å; S215-E224 PolarHBondContact OG-OE1 2.93Å; M216-E224 PolarHBondContact N-OE1 3.33Å; S217-E224 PolarHBondContact N-OE1 3.07Å; A222-E224 PolarHBondContact O-N 2.83Å
225Y93.8Very high93.6Very high57 Ų5763.5 Ų63.522%0.22436%0.361CS..SBendtrans-110.9-18.1-168.5-68.4-67.4000112.8S205 M207 R210 N211 D223 R227S205-Y225 VanDerWaalsContact CA-O 3.27Å; S205-Y225 WeakPolarHBondContact CA-O 3.49Å; S205-Y225 WeakPolarHBondContact CB-O 3.47Å; S205-Y225 PolarHBondContact N-O 3.25Å; M207-Y225 HydrophobicContact CB-CD1 3.94Å; M207-Y225 HydrophobicContact CB-CE1 3.9Å; M207-Y225 HydrophobicContact CG-CD1 4.17Å; M207-Y225 HydrophobicContact CG-CE1 4.03Å; R210-Y225 WeakPolarHBondContact CA-OH 3.2Å; R210-Y225 HydrophobicContact CB-CD2 4.49Å; R210-Y225 HydrophobicContact CB-CE2 3.71Å; R210-Y225 HydrophobicContact CG-CD1 4.41Å; R210-Y225 HydrophobicContact CG-CD2 4.06Å; R210-Y225 HydrophobicContact CG-CE1 4.07Å; R210-Y225 HydrophobicContact CG-CE2 3.68Å; R210-Y225 HydrophobicContact CG-CG 4.41Å; N211-Y225 PolarHBondContact N-OH 3.46Å; D223-Y225 WeakPolarHBondContact OD1-CA 3.45Å; D223-Y225 PolarHBondContact OD1-N 3.2Å; Y225-R227 VanDerWaalsContact O-CD 3.23Å; Y225-R227 WeakPolarHBondContact O-CD 3.49Å; Y225-R227 PolarHBondContact O-NE 3.48Å
226S95.1Very high94Very high38 Ų3864 Ų6427%0.26637%0.367SS..  trans-83.5141.6172.6-63.20000112.1D223D223-S226 PolarHBondContact OD1-N 3.32Å; D223-S226 WeakPolarHBondContact OD2-CB 3.07Å; D223-S226 PolarHBondContact OD2-OG 3.12Å
227R96.7Very high94.4Very high95 Ų9561.8 Ų61.836%0.35836%0.355SS..EExtended strand (participates in β ladder)trans-113.8131.2179.1-62.875.6172.4-86-9.8108.1W202 Q203 S205 Y225 V229W202-R227 WeakPolarHBondContact CA-O 3.23Å; Q203-R227 PolarHBondContact N-O 2.92Å; Q203-R227 WeakPolarHBondContact O-CD 3.1Å; Q203-R227 PolarHBondContact O-N 3.17Å; S205-R227 PolarHBondContact OG-NH2 3.12Å; Y225-R227 VanDerWaalsContact O-CD 3.23Å; Y225-R227 WeakPolarHBondContact O-CD 3.49Å; Y225-R227 PolarHBondContact O-NE 3.48Å; R227-V229 HydrophobicContact CB-CG1 4.32Å
228Y97.6Very high94.8Very high63 Ų6360 Ų6025%0.24734%0.342CS..EExtended strand (participates in β ladder)trans-81.8117.9172.2-166.4-110000109.1Y9 P31 S198 G200 W202Y9-Y228 AromaticContact CD2-CD1 3.87Å; Y9-Y228 HydrophobicContact CD2-CD1 3.87Å; Y9-Y228 HydrophobicContact CD2-CE1 4.08Å; Y9-Y228 HydrophobicContact CE2-CD1 4.07Å; Y9-Y228 AromaticContact CE2-CE1 3.91Å; Y9-Y228 HydrophobicContact CE2-CE1 3.91Å; P31-Y228 HydrophobicContact CB-CD1 4.09Å; S198-Y228 VanDerWaalsContact CB-OH 3.25Å; S198-Y228 WeakPolarHBondContact CB-OH 3.45Å; S198-Y228 PolarHBondContact OG-OH 2.56Å; G200-Y228 WeakPolarHBondContact CA-OH 3.23Å; W202-Y228 HydrophobicContact CD2-CD2 4.2Å; W202-Y228 AromaticContact CE2-CD2 3.96Å; W202-Y228 HydrophobicContact CE3-CD2 4.39Å; W202-Y228 HydrophobicContact CH2-CD2 4.23Å; W202-Y228 AromaticContact CZ2-CD2 3.98Å; W202-Y228 HydrophobicContact CZ2-CD2 3.98Å; W202-Y228 HydrophobicContact CZ3-CD2 4.42Å
229V98.1Very high95.3Very high40 Ų4054.6 Ų54.624%0.24230%0.302CS..EExtended strand (participates in β ladder)trans-129.9164.2-178.2-610000110.4G200 A201 Q203 R227G200-V229 CarbonylContact C-O 3.5Å; G200-V229 WeakPolarHBondContact CA-O 3.4Å; A201-V229 PolarHBondContact N-O 2.91Å; A201-V229 PolarHBondContact O-N 2.87Å; Q203-V229 HydrophobicContact CB-CG1 4.3Å; Q203-V229 HydrophobicContact CB-CG2 3.95Å; R227-V229 HydrophobicContact CB-CG1 4.32Å
230V98.6Very high95.8Very high13 Ų1351.5 Ų51.58%0.07929%0.289CS..EExtended strand (participates in β ladder)trans-80.8132.8170.2168.80000110I6 C13 T16 A17 A199 V235I6-V230 HydrophobicContact CG2-CG1 4.19Å; I6-V230 HydrophobicContact CG2-CG2 3.94Å; C13-V230 HydrophobicContact CB-CB 4.08Å; C13-V230 HydrophobicContact CB-CG2 3.72Å; C13-V230 PolarHBondContact SG-N 3.2Å; T16-V230 HydrophobicContact CG2-CG1 4.33Å; A17-V230 HydrophobicContact CB-CG1 4.47Å; A199-V230 HydrophobicContact CB-CG1 4.29Å; V230-V235 HydrophobicContact CG1-CG2 3.67Å
231D98.6Very high96.4Very high68 Ų6849.2 Ų49.236%0.36427%0.265SS..  trans-87.2109.7168.5-177.3-3.7000110.2A199 A201 A233 A234 V235A199-D231 PolarHBondContact O-N 3.4Å; A201-D231 HydrophobicContact CB-CB 3.94Å; D231-A233 VanDerWaalsContact C-N 3.26Å; D231-A233 PolarHBondContact O-N 2.73Å; D231-A233 WeakPolarHBondContact OD1-CB 3.49Å; D231-A233 PolarHBondContact OD1-N 3.42Å; D231-A234 HydrophobicContact CB-CB 3.98Å; D231-A234 PolarHBondContact O-N 2.92Å; D231-V235 WeakPolarHBondContact O-CG2 3.39Å; D231-V235 PolarHBondContact O-N 2.89Å; D231-V235 VanDerWaalsContact O-N 3.15Å
232G98.7Very high96.9Very high9 Ų941 Ų419%0.09323%0.227CC..Hα-helixtrans-59.7-34.4178.100000113.5N20 V235 A236N20-G232 VanDerWaalsContact CB-O 3.24Å; N20-G232 WeakPolarHBondContact CB-O 3.17Å; N20-G232 VanDerWaalsContact CG-O 3.24Å; N20-G232 WeakPolarHBondContact ND2-CA 3.19Å; N20-G232 PolarHBondContact OD1-O 3.06Å; G232-V235 PolarHBondContact O-N 2.8Å; G232-A236 PolarHBondContact O-N 3.2Å
233A98.7Very high97.5Very high65 Ų6544.9 Ų44.954%0.53724%0.243SC..Hα-helixtrans-67.1-41179.200000111.2D231 V235 A236 E237D231-A233 VanDerWaalsContact C-N 3.26Å; D231-A233 PolarHBondContact O-N 2.73Å; D231-A233 WeakPolarHBondContact OD1-CB 3.49Å; D231-A233 PolarHBondContact OD1-N 3.42Å; A233-V235 VanDerWaalsContact C-N 3.35Å; A233-V235 PolarHBondContact O-N 3.29Å; A233-A236 PolarHBondContact O-N 2.82Å; A233-E237 WeakPolarHBondContact O-CB 3.48Å; A233-E237 PolarHBondContact O-N 2.9Å
234A98.8Very high97.8Very high24 Ų2448 Ų4820%0.19825%0.248CC..Hα-helixtrans-63.1-40174.800000112A199 D231 E237 M238A199-A234 HydrophobicContact CB-CB 4.32Å; D231-A234 HydrophobicContact CB-CB 3.98Å; D231-A234 PolarHBondContact O-N 2.92Å; A234-E237 PolarHBondContact O-N 3.3Å; A234-M238 WeakPolarHBondContact O-CG 3.41Å; A234-M238 PolarHBondContact O-N 3.34Å
235V98.9Very high98.1Very high0 Ų047.2 Ų47.20%024%0.244CC..Hα-helixtrans-61.2-49.2174.1179.50000110.8L4 I6 N20 A22 A199 V230 D231 G232 A233 E237 M238 K239L4-V235 HydrophobicContact CD2-CG1 4.27Å; I6-V235 HydrophobicContact CD1-CG1 4.36Å; I6-V235 HydrophobicContact CD1-CG2 3.99Å; I6-V235 HydrophobicContact CG1-CG1 4.1Å; I6-V235 HydrophobicContact CG1-CG2 4Å; I6-V235 HydrophobicContact CG2-CG2 4.4Å; N20-V235 HydrophobicContact CB-CB 3.94Å; N20-V235 HydrophobicContact CB-CG1 4Å; A22-V235 HydrophobicContact CB-CG1 4.04Å; A199-V235 HydrophobicContact CB-CG2 3.53Å; V230-V235 HydrophobicContact CG1-CG2 3.67Å; D231-V235 WeakPolarHBondContact O-CG2 3.39Å; D231-V235 PolarHBondContact O-N 2.89Å; D231-V235 VanDerWaalsContact O-N 3.15Å; G232-V235 PolarHBondContact O-N 2.8Å; A233-V235 VanDerWaalsContact C-N 3.35Å; A233-V235 PolarHBondContact O-N 3.29Å; V235-E237 VanDerWaalsContact C-N 3.33Å; V235-E237 PolarHBondContact O-N 3.18Å; V235-M238 PolarHBondContact O-N 3.42Å; V235-K239 PolarHBondContact O-N 2.89Å
236A98.9Very high98.1Very high43 Ų4349.3 Ų49.336%0.35526%0.256SS..Hα-helixtrans-63.1-38.7-18000000112.3N20 G232 A233 K239 G240N20-A236 HydrophobicContact CB-CB 4.21Å; N20-A236 WeakPolarHBondContact O-CA 3.21Å; N20-A236 PolarHBondContact O-N 3.47Å; G232-A236 PolarHBondContact O-N 3.2Å; A233-A236 PolarHBondContact O-N 2.82Å; A236-K239 PolarHBondContact O-N 3.38Å; A236-G240 PolarHBondContact O-N 3.39Å
237E98.8Very high98Very high108 Ų10851.7 Ų51.751%0.50528%0.279SS..Hα-helixtrans-62.5-49.7175.5-178.9175.1-157.300111.5A181 A233 A234 V235 K239 G240 I241A181-E237 HydrophobicContact CB-CG 3.87Å; A233-E237 WeakPolarHBondContact O-CB 3.48Å; A233-E237 PolarHBondContact O-N 2.9Å; A234-E237 PolarHBondContact O-N 3.3Å; V235-E237 VanDerWaalsContact C-N 3.33Å; V235-E237 PolarHBondContact O-N 3.18Å; E237-K239 VanDerWaalsContact C-N 3.34Å; E237-K239 PolarHBondContact O-N 3.01Å; E237-G240 PolarHBondContact O-N 3.39Å; E237-I241 HydrophobicContact CG-CD1 4.16Å; E237-I241 WeakPolarHBondContact O-CG1 3.1Å; E237-I241 PolarHBondContact O-N 2.89Å
238M98.9Very high97.7Very high2 Ų258 Ų581%0.0131%0.308CS..Hα-helixtrans-60.3-43.4177.4-72.5-172.1-6600111.7L4 I6 A181 L184 A199 A234 V235 G240 I241 I242L4-M238 HydrophobicContact CD1-CB 4.41Å; L4-M238 HydrophobicContact CD1-CE 4.38Å; L4-M238 HydrophobicContact CD1-SD 4.48Å; L4-M238 HydrophobicContact CD2-CB 3.91Å; I6-M238 HydrophobicContact CD1-CE 3.81Å; A181-M238 HydrophobicContact CB-CG 4.11Å; L184-M238 HydrophobicContact CD2-CB 3.79Å; L184-M238 HydrophobicContact CD2-CG 4.01Å; L184-M238 WeakPolarHBondContact CD2-O 3.42Å; A199-M238 HydrophobicContact CB-CE 3.71Å; A234-M238 WeakPolarHBondContact O-CG 3.41Å; A234-M238 PolarHBondContact O-N 3.34Å; V235-M238 PolarHBondContact O-N 3.42Å; M238-G240 VanDerWaalsContact C-N 3.34Å; M238-G240 PolarHBondContact O-N 3.39Å; M238-I241 PolarHBondContact O-N 2.94Å; M238-I242 WeakPolarHBondContact O-CG1 3.44Å; M238-I242 PolarHBondContact O-N 3.43Å
239K98.8Very high97.7Very high18 Ų1857.8 Ų57.88%0.07831%0.312CS..Hα-helixtrans-60.4-45.1175.4-175.955.9165-1760111.4M1 L4 G21 D23 V235 A236 E237 I241 I242 E243M1-K239 PolarHBondContact SD-NZ 3.44Å; L4-K239 HydrophobicContact CD2-CB 4.16Å; G21-K239 WeakPolarHBondContact O-CD 3.37Å; G21-K239 WeakPolarHBondContact O-CE 3.49Å; G21-K239 WeakPolarHBondContact O-CG 3.36Å; D23-K239 IonicContact OD1-NZ 2.7Å; D23-K239 PolarHBondContact OD1-NZ 2.75Å; D23-K239 IonicContact OD2-NZ 2.77Å; D23-K239 PolarHBondContact OD2-NZ 2.79Å; V235-K239 PolarHBondContact O-N 2.89Å; A236-K239 PolarHBondContact O-N 3.38Å; E237-K239 VanDerWaalsContact C-N 3.34Å; E237-K239 PolarHBondContact O-N 3.01Å; K239-I241 VanDerWaalsContact C-N 3.32Å; K239-I241 PolarHBondContact O-N 3Å; K239-I242 WeakPolarHBondContact O-CB 3.29Å; K239-I242 PolarHBondContact O-N 3.2Å; K239-E243 HydrophobicContact CD-CG 4.4Å; K239-E243 WeakPolarHBondContact CE-OE1 3.35Å; K239-E243 WeakPolarHBondContact O-CG 3.41Å; K239-E243 PolarHBondContact O-N 3.4Å
240G98.6Very high97.7Very high13 Ų1358.7 Ų58.713%0.13432%0.315CS..Hα-helixtrans-62.6-35.517600000113.4A236 E237 M238 R244A236-G240 PolarHBondContact O-N 3.39Å; E237-G240 PolarHBondContact O-N 3.39Å; M238-G240 VanDerWaalsContact C-N 3.34Å; M238-G240 PolarHBondContact O-N 3.39Å; G240-R244 WeakPolarHBondContact O-CB 3.46Å; G240-R244 VanDerWaalsContact O-CG 3.28Å; G240-R244 WeakPolarHBondContact O-CG 3.34Å; G240-R244 PolarHBondContact O-N 2.68Å; G240-R244 PolarHBondContact O-NH1 2.73Å
241I98.7Very high97.7Very high29 Ų2961.2 Ų61.215%0.14933%0.328CS..Hα-helixtrans-63.6-46173.3-69.5166.9000110.5A181 L184 L188 E237 M238 K239 R244 H245A181-I241 HydrophobicContact CB-CD1 3.85Å; A181-I241 WeakPolarHBondContact O-CD1 3.41Å; L184-I241 HydrophobicContact CB-CG2 4.36Å; L184-I241 HydrophobicContact CD2-CB 4.11Å; L184-I241 HydrophobicContact CD2-CG2 4Å; L184-I241 HydrophobicContact CG-CG2 4.21Å; L188-I241 HydrophobicContact CD1-CG2 4.07Å; E237-I241 HydrophobicContact CG-CD1 4.16Å; E237-I241 WeakPolarHBondContact O-CG1 3.1Å; E237-I241 PolarHBondContact O-N 2.89Å; M238-I241 PolarHBondContact O-N 2.94Å; K239-I241 VanDerWaalsContact C-N 3.32Å; K239-I241 PolarHBondContact O-N 3Å; I241-R244 VanDerWaalsContact CG1-NH2 3.31Å; I241-R244 PolarHBondContact O-N 3.41Å; I241-H245 WeakPolarHBondContact O-CB 3.28Å; I241-H245 PolarHBondContact O-N 3.33Å
242I98.7Very high97.6Very high2 Ų260.8 Ų60.81%0.0133%0.326CS..Hα-helixtrans-60.5-45.8177.9-73.3166.5000111.4M1 A2 L4 L184 L188 V195 M238 K239 H245 Q246M1-I242 HydrophobicContact CB-CG2 3.89Å; M1-I242 HydrophobicContact CG-CG2 4.4Å; A2-I242 HydrophobicContact CB-CG2 4.41Å; A2-I242 WeakPolarHBondContact O-CG2 3.34Å; L4-I242 HydrophobicContact CB-CD1 3.77Å; L4-I242 HydrophobicContact CD1-CD1 4.34Å; L4-I242 HydrophobicContact CD2-CD1 4.48Å; L4-I242 HydrophobicContact CG-CD1 4.42Å; L184-I242 HydrophobicContact CD2-CD1 4.18Å; L184-I242 HydrophobicContact CD2-CG1 3.94Å; L188-I242 HydrophobicContact CD1-CG1 4.01Å; L188-I242 HydrophobicContact CD2-CG1 4.11Å; V195-I242 HydrophobicContact CG2-CD1 4.01Å; M238-I242 WeakPolarHBondContact O-CG1 3.44Å; M238-I242 PolarHBondContact O-N 3.43Å; K239-I242 WeakPolarHBondContact O-CB 3.29Å; K239-I242 PolarHBondContact O-N 3.2Å; I242-H245 PolarHBondContact O-N 3.14Å; I242-Q246 PolarHBondContact O-N 2.9Å
243E98.4Very high97.6Very high98 Ų9864.1 Ų64.146%0.45834%0.341SS..Hα-helixtrans-64.1-44.3179-71.7174.1170.300111.8K239 H245 Q246 A247K239-E243 HydrophobicContact CD-CG 4.4Å; K239-E243 WeakPolarHBondContact CE-OE1 3.35Å; K239-E243 WeakPolarHBondContact O-CG 3.41Å; K239-E243 PolarHBondContact O-N 3.4Å; E243-H245 VanDerWaalsContact C-N 3.33Å; E243-H245 PolarHBondContact O-N 3.4Å; E243-Q246 PolarHBondContact O-N 3.15Å; E243-A247 PolarHBondContact O-N 3.18Å; E243-A247 VanDerWaalsContact O-N 3.11Å
244R98.2Very high97.5Very high151 Ų15164 Ų6457%0.5733%0.328SS*.Hα-helixtrans-65.4-35.1176.3-74-172.1-59.4-88.85.9112.7G240 I241G240-R244 WeakPolarHBondContact O-CB 3.46Å; G240-R244 VanDerWaalsContact O-CG 3.28Å; G240-R244 WeakPolarHBondContact O-CG 3.34Å; G240-R244 PolarHBondContact O-N 2.68Å; G240-R244 PolarHBondContact O-NH1 2.73Å; I241-R244 VanDerWaalsContact CG1-NH2 3.31Å; I241-R244 PolarHBondContact O-N 3.41Å
245H98Very high97.4Very high55 Ų5566.9 Ų66.926%0.25534%0.337SS..Hα-helixtrans-67-43.5176-171-82.3000111.2L188 D189 I241 I242 E243 A247 K248L188-H245 HydrophobicContact CD1-CB 3.7Å; D189-H245 IonicContact OD1-CD2 3.46Å; D189-H245 PolarHBondContact OD1-CD2 2.69Å; D189-H245 IonicContact OD1-CE1 3.84Å; D189-H245 IonicContact OD1-NE2 2.71Å; D189-H245 PolarHBondContact OD1-NE2 3.19Å; I241-H245 WeakPolarHBondContact O-CB 3.28Å; I241-H245 PolarHBondContact O-N 3.33Å; I242-H245 PolarHBondContact O-N 3.14Å; E243-H245 VanDerWaalsContact C-N 3.33Å; E243-H245 PolarHBondContact O-N 3.4Å; H245-A247 VanDerWaalsContact C-N 3.26Å; H245-A247 PolarHBondContact O-N 3.2Å; H245-K248 WeakPolarHBondContact O-CB 3.47Å; H245-K248 PolarHBondContact O-N 3.27Å
246Q94.2Very high97.3Very high101 Ų10172 Ų7247%0.47236%0.363SS..Hα-helixtrans-65.3-27.3177-178.158.465.900113.9M1 I242 E243 K248M1-Q246 HydrophobicContact CB-CB 3.78Å; M1-Q246 HydrophobicContact CB-CG 3.82Å; I242-Q246 PolarHBondContact O-N 2.9Å; E243-Q246 PolarHBondContact O-N 3.15Å; Q246-K248 VanDerWaalsContact C-N 3.26Å
247A94.3Very high97.1Very high89 Ų8974.4 Ų74.474%0.73636%0.364SS*.THydrogen-bonded Turntrans-78.2-8.9178.500000113.7E243 H245E243-A247 PolarHBondContact O-N 3.18Å; E243-A247 VanDerWaalsContact O-N 3.11Å; H245-A247 VanDerWaalsContact C-N 3.26Å; H245-A247 PolarHBondContact O-N 3.2Å
248K90.2Very high97Very high227 Ų22771.4 Ų71.499%0.98735%0.351SS*.  trans-84.50173.3-68.3178.6176.2-178.40111H245 Q246H245-K248 WeakPolarHBondContact O-CB 3.47Å; H245-K248 PolarHBondContact O-N 3.27Å; Q246-K248 VanDerWaalsContact C-N 3.26Å

Retrieved 248 of 248 residues in 439.1 ms (Link to these results)

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