A0A077Z130_TRITR Loading...

Cleavage and polyadenylation specificity factor

AlphaFold DB , UniProt , Accession A0A077Z130, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 523 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
1M92.9Very high95.2Very high21 Ų2113.7 Ų13.710%0.1037%0.073CC..  0131.70-176166.7-74.200107.1Y3 L19 S20 F21 V161 V163 L445 F447M1-Y3 HydrophobicContact CB-CE2 3.9Å; M1-Y3 HydrophobicContact CG-CD2 4.28Å; M1-Y3 HydrophobicContact CG-CE1 4.34Å; M1-Y3 HydrophobicContact CG-CE2 3.56Å; M1-Y3 HydrophobicContact SD-CE1 4.06Å; M1-Y3 HydrophobicContact SD-CE2 4.01Å; M1-Y3 PolarHBondContact SD-OH 2.66Å; M1-L19 HydrophobicContact CG-CD1 3.47Å; M1-L19 VanDerWaalsContact CG-CD1 3.47Å; M1-L19 HydrophobicContact CG-CG 4.36Å; M1-L19 HydrophobicContact SD-CD1 3.55Å; M1-L19 VanDerWaalsContact SD-CD1 3.55Å; M1-L19 HydrophobicContact SD-CD2 4.33Å; M1-L19 HydrophobicContact SD-CG 4.26Å; M1-S20 WeakPolarHBondContact CA-O 3.26Å; M1-F21 HydrophobicContact CB-CB 4.16Å; M1-F21 HydrophobicContact CB-CD2 3.69Å; M1-F21 HydrophobicContact CB-CE2 4.3Å; M1-F21 HydrophobicContact CB-CG 4.05Å; M1-F21 HydrophobicContact CE-CB 3.5Å; M1-F21 HydrophobicContact CE-CD1 3.35Å; M1-F21 HydrophobicContact CE-CD2 4.19Å; M1-F21 HydrophobicContact CE-CE1 4.03Å; M1-F21 HydrophobicContact CE-CG 3.43Å; M1-F21 VanDerWaalsContact CE-CG 3.43Å; M1-F21 HydrophobicContact CG-CB 3.9Å; M1-F21 HydrophobicContact CG-CD2 4.38Å; M1-F21 HydrophobicContact CG-CG 4.26Å; M1-F21 HydrophobicContact SD-CB 4.43Å; M1-V161 HydrophobicContact CE-CB 4.25Å; M1-V161 HydrophobicContact CE-CG1 3.72Å; M1-V161 HydrophobicContact SD-CG1 4.46Å; M1-V163 HydrophobicContact CE-CG2 4.03Å; M1-V163 HydrophobicContact SD-CG2 3.42Å; M1-V163 WeakPolarHBondContact SD-CG2 3.23Å; M1-L445 PolarHBondContact N-O 3.4Å; M1-L445 PolarHBondContact O-N 3.01Å; M1-F447 HydrophobicContact CB-CD2 4.17Å; M1-F447 HydrophobicContact CB-CE2 3.55Å; M1-F447 HydrophobicContact CE-CE2 4.35Å; M1-F447 HydrophobicContact CG-CE2 4.42Å; M1-F447 HydrophobicContact SD-CE2 4.04Å
2C95Very high95.2Very high27 Ų2713.3 Ų13.318%0.1827%0.071CC..EExtended strand (participates in β ladder)trans-104.8131.9177.1-165.80000108.5S20 V443C2-S20 PolarHBondContact N-O 3.42Å; C2-S20 PolarHBondContact O-N 3.09Å; C2-V443 WeakPolarHBondContact CA-O 3.01Å
3Y92.9Very high95.2Very high4 Ų412.3 Ų12.32%0.0167%0.066CC..EExtended strand (participates in β ladder)trans-116.2114.8174.5-53.5-106.5000106.5M1 L19 V163 A189 I191 I404 E442 V443 L445M1-Y3 HydrophobicContact CB-CE2 3.9Å; M1-Y3 HydrophobicContact CG-CD2 4.28Å; M1-Y3 HydrophobicContact CG-CE1 4.34Å; M1-Y3 HydrophobicContact CG-CE2 3.56Å; M1-Y3 HydrophobicContact SD-CE1 4.06Å; M1-Y3 HydrophobicContact SD-CE2 4.01Å; M1-Y3 PolarHBondContact SD-OH 2.66Å; Y3-L19 HydrophobicContact CD1-CD1 3.31Å; Y3-L19 HydrophobicContact CD2-CD1 4.44Å; Y3-L19 HydrophobicContact CE1-CD1 3.24Å; Y3-L19 HydrophobicContact CE2-CD1 4.36Å; Y3-L19 HydrophobicContact CG-CD1 3.94Å; Y3-V163 HydrophobicContact CE1-CG1 4.04Å; Y3-V163 HydrophobicContact CE1-CG2 4.27Å; Y3-V163 WeakPolarHBondContact OH-CG2 3.32Å; Y3-A189 HydrophobicContact CE1-CB 4.34Å; Y3-A189 WeakPolarHBondContact OH-CB 3.39Å; Y3-I191 HydrophobicContact CD1-CD1 3.69Å; Y3-I191 HydrophobicContact CD1-CG1 4.22Å; Y3-I191 HydrophobicContact CE1-CD1 3.83Å; Y3-I191 HydrophobicContact CE1-CG1 4.19Å; Y3-I404 HydrophobicContact CE1-CD1 4.37Å; Y3-E442 CarbonylContact O-C 3.58Å; Y3-E442 WeakPolarHBondContact O-CA 3.41Å; Y3-V443 HydrophobicContact CD2-CB 4.48Å; Y3-V443 WeakPolarHBondContact CD2-O 3.49Å; Y3-V443 PolarHBondContact N-O 2.84Å; Y3-V443 PolarHBondContact O-N 2.85Å; Y3-L445 HydrophobicContact CD2-CD1 4.29Å; Y3-L445 HydrophobicContact CD2-CG 4.14Å; Y3-L445 HydrophobicContact CE2-CB 3.97Å; Y3-L445 HydrophobicContact CE2-CD1 3.39Å; Y3-L445 HydrophobicContact CE2-CG 3.52Å
4S95.6Very high95.3Very high5 Ų513 Ų134%0.0357%0.067CC..EExtended strand (participates in β ladder)trans-115.3120.6177.5-172.80000109.2K6 L18S4-K6 PolarHBondContact O-N 2.94Å; S4-K6 VanDerWaalsContact OG-CE 3.32Å; S4-K6 WeakPolarHBondContact OG-CE 3.4Å; S4-K6 PolarHBondContact OG-NZ 3.29Å; S4-L18 PolarHBondContact N-O 3.36Å; S4-L18 PolarHBondContact O-N 2.92Å
5V95.9Very high95.5Very high2 Ų212.3 Ų12.31%0.0126%0.064CC..EExtended strand (participates in β ladder)trans-83.6117.1179.3-174.10000109G7 G9 V406 P437 T440 E441V5-G7 VanDerWaalsContact CG1-O 3.29Å; V5-G7 WeakPolarHBondContact CG1-O 3.37Å; V5-G9 VanDerWaalsContact CG1-CA 3.48Å; V5-V406 HydrophobicContact CG2-CG1 4.32Å; V5-P437 HydrophobicContact CG2-CB 4.16Å; V5-P437 HydrophobicContact CG2-CG 3.61Å; V5-T440 WeakPolarHBondContact O-CA 2.89Å; V5-T440 PolarHBondContact O-N 3.34Å; V5-E441 PolarHBondContact N-O 2.96Å
6K97.2Very high95.7Very high15 Ų1511.6 Ų11.67%0.0656%0.06CC..EExtended strand (participates in β ladder)trans-103.81.1179.8-55.5-57.8-167.6-167.10112.3S4 C16 L18 P43 F44 L47 I48S4-K6 PolarHBondContact O-N 2.94Å; S4-K6 VanDerWaalsContact OG-CE 3.32Å; S4-K6 WeakPolarHBondContact OG-CE 3.4Å; S4-K6 PolarHBondContact OG-NZ 3.29Å; K6-C16 CarbonylContact C-O 3.57Å; K6-C16 WeakPolarHBondContact CA-O 3.18Å; K6-C16 HydrophobicContact CB-CB 4.25Å; K6-C16 WeakPolarHBondContact CB-O 3.32Å; K6-C16 PolarHBondContact N-O 2.64Å; K6-L18 HydrophobicContact CG-CB 4.25Å; K6-P43 CarbonylContact O-C 3.59Å; K6-P43 WeakPolarHBondContact O-CA 3.36Å; K6-P43 VanDerWaalsContact O-CB 3.29Å; K6-P43 WeakPolarHBondContact O-CB 3.42Å; K6-F44 VanDerWaalsContact O-CD2 3.25Å; K6-F44 WeakPolarHBondContact O-CD2 3.46Å; K6-F44 PolarHBondContact O-N 3.39Å; K6-L47 HydrophobicContact CD-CB 4.28Å; K6-L47 WeakPolarHBondContact CE-O 3.28Å; K6-L47 PolarHBondContact NZ-O 3.1Å; K6-I48 HydrophobicContact CB-CD1 4.04Å; K6-I48 HydrophobicContact CB-CG1 4.44Å; K6-I48 HydrophobicContact CD-CG1 4.18Å; K6-I48 HydrophobicContact CG-CD1 3.86Å; K6-I48 HydrophobicContact CG-CG1 3.83Å
7G96.5Very high95.9Very high0 Ų011.1 Ų11.10%06%0.058CC..EExtended strand (participates in β ladder)trans173.7152.8173.200000109.3V5 G9 R14 C16 N439V5-G7 VanDerWaalsContact CG1-O 3.29Å; V5-G7 WeakPolarHBondContact CG1-O 3.37Å; G7-G9 VanDerWaalsContact C-N 3.32Å; G7-R14 CarbonylContact C-O 3.59Å; G7-R14 VanDerWaalsContact CA-O 3.22Å; G7-R14 WeakPolarHBondContact CA-O 3.36Å; G7-C16 PolarHBondContact N-O 2.76Å; G7-C16 PolarHBondContact O-N 3.48Å; G7-N439 WeakPolarHBondContact CA-OD1 3.44Å; G7-N439 PolarHBondContact N-OD1 3.33Å
8G94.2Very high96Very high1 Ų111.6 Ų11.61%0.016%0.06CC..  trans7811.9-173.600000114.5E11 G13 H407 N439G8-E11 PolarHBondContact N-OE1 3.41Å; G8-G13 WeakPolarHBondContact CA-O 3.47Å; G8-G13 PolarHBondContact N-O 3.21Å; G8-H407 PolarHBondContact O-N 3.41Å; G8-N439 PolarHBondContact N-OD1 3.33Å
9G96.1Very high96.1Very high4 Ų410.9 Ų10.94%0.0416%0.057CC..SBendtrans-90.9105.9175.400000111.7V5 G7 E11 P437 N439V5-G9 VanDerWaalsContact CG1-CA 3.48Å; G7-G9 VanDerWaalsContact C-N 3.32Å; G9-E11 PolarHBondContact O-N 3.37Å; G9-P437 CarbonylContact C-O 3.59Å; G9-P437 WeakPolarHBondContact CA-O 3.4Å; G9-N439 WeakPolarHBondContact CA-OD1 3.43Å; G9-N439 PolarHBondContact N-OD1 3.33Å; G9-N439 PolarHBondContact O-N 2.94Å; G9-N439 VanDerWaalsContact O-N 3.14Å
10Q96Very high96.2Very high45 Ų4512.1 Ų12.121%0.217%0.066CC..SBendtrans62.824.6-172.3-62.4-174.21200114.4G408 A410 M413 S436 R438Q10-G408 CarbonylContact C-O 3.54Å; Q10-G408 VanDerWaalsContact CA-O 3.23Å; Q10-G408 WeakPolarHBondContact CA-O 3.44Å; Q10-A410 HydrophobicContact CB-CB 3.9Å; Q10-A410 HydrophobicContact CG-CB 4.24Å; Q10-A410 PolarHBondContact O-N 3.24Å; Q10-M413 HydrophobicContact CG-CE 4.16Å; Q10-M413 HydrophobicContact CG-SD 4.24Å; Q10-S436 PolarHBondContact NE2-O 2.8Å; Q10-R438 HydrophobicContact CG-CG 4.09Å; Q10-R438 VanDerWaalsContact OE1-CG 3.24Å
11E95.5Very high96.2Very high27 Ų2712.8 Ų12.813%0.1267%0.068CC..SBendtrans-144.6167.317270.9-169.7176.500110.5G8 G9 R14 H33 H407 G408 N439G8-E11 PolarHBondContact N-OE1 3.41Å; G9-E11 PolarHBondContact O-N 3.37Å; E11-R14 VanDerWaalsContact OE1-CG 3.3Å; E11-R14 WeakPolarHBondContact OE1-CG 3.2Å; E11-R14 IonicContact OE1-CZ 3.76Å; E11-R14 IonicContact OE1-NE 3.26Å; E11-R14 PolarHBondContact OE1-NE 2.88Å; E11-R14 IonicContact OE1-NH2 2.72Å; E11-R14 PolarHBondContact OE1-NH2 3.01Å; E11-R14 IonicContact OE2-CZ 3.62Å; E11-R14 IonicContact OE2-NE 3.34Å; E11-R14 PolarHBondContact OE2-NE 3.28Å; E11-R14 IonicContact OE2-NH2 2.99Å; E11-R14 PolarHBondContact OE2-NH2 3.22Å; E11-H33 IonicContact OE2-CD2 2.68Å; E11-H407 WeakPolarHBondContact O-CA 3.49Å; E11-G408 PolarHBondContact N-O 3.17Å; E11-G408 PolarHBondContact O-N 3.31Å; E11-N439 PolarHBondContact OE1-ND2 3.45Å; E11-N439 PolarHBondContact OE2-ND2 2.88Å; E11-N439 VanDerWaalsContact OE2-ND2 3.12Å
12V94.8Very high96.1Very high9 Ų917.7 Ų17.76%0.0559%0.089CC..SBendtrans-110.5118.9170.2175.80000107.5T195 Y346 V348V12-T195 HydrophobicContact CG2-CG2 4.4Å; V12-Y346 HydrophobicContact CB-CE1 3.93Å; V12-Y346 HydrophobicContact CG1-CD1 4.12Å; V12-Y346 HydrophobicContact CG1-CE1 3.76Å; V12-Y346 HydrophobicContact CG2-CE1 3.9Å; V12-V348 HydrophobicContact CG1-CG2 3.96Å
13G94.8Very high96Very high0 Ų025.2 Ų25.20%012%0.122CC..SBendtrans127.2159.6-171.200000113.9G8 S15G8-G13 WeakPolarHBondContact CA-O 3.47Å; G8-G13 PolarHBondContact N-O 3.21Å; G13-S15 PolarHBondContact O-N 3.4Å
14R96.9Very high96.1Very high22 Ų2227 Ų278%0.08313%0.129CC..  trans44.137.5177.563.1176.3173.5-159.6-7.3115.2G7 E11 C16 I32 H33 D40 L42 P43G7-R14 CarbonylContact C-O 3.59Å; G7-R14 VanDerWaalsContact CA-O 3.22Å; G7-R14 WeakPolarHBondContact CA-O 3.36Å; E11-R14 VanDerWaalsContact OE1-CG 3.3Å; E11-R14 WeakPolarHBondContact OE1-CG 3.2Å; E11-R14 IonicContact OE1-CZ 3.76Å; E11-R14 IonicContact OE1-NE 3.26Å; E11-R14 PolarHBondContact OE1-NE 2.88Å; E11-R14 IonicContact OE1-NH2 2.72Å; E11-R14 PolarHBondContact OE1-NH2 3.01Å; E11-R14 IonicContact OE2-CZ 3.62Å; E11-R14 IonicContact OE2-NE 3.34Å; E11-R14 PolarHBondContact OE2-NE 3.28Å; E11-R14 IonicContact OE2-NH2 2.99Å; E11-R14 PolarHBondContact OE2-NH2 3.22Å; R14-C16 PolarHBondContact O-N 3.23Å; R14-C16 VanDerWaalsContact O-N 3.16Å; R14-I32 PolarHBondContact N-O 3.06Å; R14-I32 VanDerWaalsContact N-O 3.09Å; R14-H33 HydrophobicContact CB-CB 4.03Å; R14-H33 HydrophobicContact CG-CB 3.9Å; R14-D40 PolarHBondContact NH1-O 3.31Å; R14-L42 WeakPolarHBondContact CD-O 3.2Å; R14-P43 HydrophobicContact CB-CG 4.38Å
15S98.6Very high96.3Very high3 Ų328.1 Ų28.12%0.02114%0.135CC..  trans-50.7122.4-179.8-63.60000110.5G13 D29 C30 G31 D64 H65 H407G13-S15 PolarHBondContact O-N 3.4Å; S15-D29 CarbonylContact O-C 3.52Å; S15-D29 WeakPolarHBondContact O-CB 3.19Å; S15-C30 PolarHBondContact O-N 3.13Å; S15-G31 PolarHBondContact O-N 2.97Å; S15-D64 VanDerWaalsContact CB-O 3.24Å; S15-D64 WeakPolarHBondContact CB-O 3.35Å; S15-D64 PolarHBondContact N-O 3.42Å; S15-D64 PolarHBondContact OG-O 3Å; S15-H65 PolarHBondContact OG-CE1 3.29Å; S15-H65 VanDerWaalsContact OG-CE1 3.3Å; S15-H65 PolarHBondContact OG-NE2 3.46Å; S15-H407 PolarHBondContact OG-CD2 2.92Å
16C98.6Very high96.4Very high0 Ų028 Ų280%013%0.134CC..EExtended strand (participates in β ladder)trans-163.6110.6-177.8-173.20000109.4K6 G7 R14 L28 P43K6-C16 CarbonylContact C-O 3.57Å; K6-C16 WeakPolarHBondContact CA-O 3.18Å; K6-C16 HydrophobicContact CB-CB 4.25Å; K6-C16 WeakPolarHBondContact CB-O 3.32Å; K6-C16 PolarHBondContact N-O 2.64Å; G7-C16 PolarHBondContact N-O 2.76Å; G7-C16 PolarHBondContact O-N 3.48Å; R14-C16 PolarHBondContact O-N 3.23Å; R14-C16 VanDerWaalsContact O-N 3.16Å; C16-L28 WeakPolarHBondContact CA-O 3.41Å; C16-P43 HydrophobicContact CB-CB 3.47Å; C16-P43 VanDerWaalsContact CB-CB 3.47Å; C16-P43 HydrophobicContact CB-CG 3.54Å
17I98.5Very high96.5Very high4 Ų427.3 Ų27.32%0.02113%0.131CC..EExtended strand (participates in β ladder)trans-125.8124.7-174-53.7168.7000109.6L27 L28 Y165 I191 V406I17-L27 CarbonylContact O-C 2.98Å; I17-L27 WeakPolarHBondContact O-CA 3.2Å; I17-L28 HydrophobicContact CB-CB 4.21Å; I17-L28 HydrophobicContact CB-CD1 4.46Å; I17-L28 PolarHBondContact N-O 3.01Å; I17-L28 PolarHBondContact O-N 2.7Å; I17-Y165 HydrophobicContact CD1-CD2 4.36Å; I17-Y165 HydrophobicContact CD1-CE2 3.7Å; I17-I191 HydrophobicContact CD1-CG2 3.85Å; I17-V406 HydrophobicContact CD1-CB 4.27Å; I17-V406 HydrophobicContact CD1-CG1 3.94Å; I17-V406 HydrophobicContact CD1-CG2 3.95Å
18L98.3Very high96.6Very high19 Ų1927.3 Ų27.310%0.09913%0.131CC..EExtended strand (participates in β ladder)trans-95.5117.9176.5178.661.8000110.4S4 K6 N25 L27 I53S4-L18 PolarHBondContact N-O 3.36Å; S4-L18 PolarHBondContact O-N 2.92Å; K6-L18 HydrophobicContact CG-CB 4.25Å; L18-N25 HydrophobicContact CD1-CB 4.24Å; L18-L27 HydrophobicContact CB-CD1 4.19Å; L18-L27 HydrophobicContact CD1-CD1 4.39Å; L18-I53 HydrophobicContact CD1-CD1 3.35Å
19L98.1Very high96.8Very high0 Ų027.3 Ų27.30%013%0.131CC..EExtended strand (participates in β ladder)trans-104.5118.8174.6-176.264.7000110.5M1 Y3 N25 I26 I156 V163M1-L19 HydrophobicContact CG-CD1 3.47Å; M1-L19 VanDerWaalsContact CG-CD1 3.47Å; M1-L19 HydrophobicContact CG-CG 4.36Å; M1-L19 HydrophobicContact SD-CD1 3.55Å; M1-L19 VanDerWaalsContact SD-CD1 3.55Å; M1-L19 HydrophobicContact SD-CD2 4.33Å; M1-L19 HydrophobicContact SD-CG 4.26Å; Y3-L19 HydrophobicContact CD1-CD1 3.31Å; Y3-L19 HydrophobicContact CD2-CD1 4.44Å; Y3-L19 HydrophobicContact CE1-CD1 3.24Å; Y3-L19 HydrophobicContact CE2-CD1 4.36Å; Y3-L19 HydrophobicContact CG-CD1 3.94Å; L19-N25 CarbonylContact O-C 3.26Å; L19-N25 WeakPolarHBondContact O-CA 3.45Å; L19-I26 HydrophobicContact CB-CB 4.28Å; L19-I26 HydrophobicContact CD2-CD1 4.34Å; L19-I26 PolarHBondContact N-O 2.93Å; L19-I26 PolarHBondContact O-N 2.88Å; L19-I156 HydrophobicContact CD2-CD1 4.37Å; L19-I156 HydrophobicContact CD2-CG2 4.38Å; L19-V163 HydrophobicContact CD2-CB 4.39Å; L19-V163 HydrophobicContact CD2-CG1 4.48Å; L19-V163 HydrophobicContact CD2-CG2 4.23Å
20S97.4Very high96.9Very high33 Ų3327.1 Ų27.123%0.23113%0.129CC..EExtended strand (participates in β ladder)trans-119.7121.6178.4-61.70000111.9M1 C2 K24 N25M1-S20 WeakPolarHBondContact CA-O 3.26Å; C2-S20 PolarHBondContact N-O 3.42Å; C2-S20 PolarHBondContact O-N 3.09Å; S20-K24 CarbonylContact C-O 3.57Å; S20-K24 VanDerWaalsContact CA-O 3.31Å; S20-K24 WeakPolarHBondContact CA-O 3.24Å; S20-N25 WeakPolarHBondContact CB-OD1 3.44Å; S20-N25 PolarHBondContact OG-OD1 2.92Å
21F96Very high97Very high27 Ų2725 Ų2512%0.11812%0.119CC..EExtended strand (participates in β ladder)trans-152.3133174.5-170.1-128.9000112.4M1 E23 K24 I158 A159 V161 F447M1-F21 HydrophobicContact CB-CB 4.16Å; M1-F21 HydrophobicContact CB-CD2 3.69Å; M1-F21 HydrophobicContact CB-CE2 4.3Å; M1-F21 HydrophobicContact CB-CG 4.05Å; M1-F21 HydrophobicContact CE-CB 3.5Å; M1-F21 HydrophobicContact CE-CD1 3.35Å; M1-F21 HydrophobicContact CE-CD2 4.19Å; M1-F21 HydrophobicContact CE-CE1 4.03Å; M1-F21 HydrophobicContact CE-CG 3.43Å; M1-F21 VanDerWaalsContact CE-CG 3.43Å; M1-F21 HydrophobicContact CG-CB 3.9Å; M1-F21 HydrophobicContact CG-CD2 4.38Å; M1-F21 HydrophobicContact CG-CG 4.26Å; M1-F21 HydrophobicContact SD-CB 4.43Å; F21-E23 VanDerWaalsContact C-N 3.26Å; F21-E23 PolarHBondContact O-N 3.17Å; F21-K24 PolarHBondContact N-O 3.13Å; F21-K24 VanDerWaalsContact O-CB 3.31Å; F21-K24 WeakPolarHBondContact O-CB 3.41Å; F21-K24 PolarHBondContact O-N 3.13Å; F21-I158 HydrophobicContact CB-CD1 4.23Å; F21-I158 HydrophobicContact CD1-CB 3.87Å; F21-I158 HydrophobicContact CD1-CG2 3.66Å; F21-I158 HydrophobicContact CE1-CG2 4.44Å; F21-I158 WeakPolarHBondContact CE1-O 3.47Å; F21-A159 HydrophobicContact CE1-CB 4.17Å; F21-V161 HydrophobicContact CE1-CB 4Å; F21-V161 HydrophobicContact CE1-CG2 3.76Å; F21-V161 HydrophobicContact CZ-CG2 3.9Å; F21-F447 HydrophobicContact CE2-CD2 4.29Å; F21-F447 HydrophobicContact CZ-CD2 4.24Å
22K90.7Very high97.1Very high125 Ų12524 Ų2454%0.54312%0.115SC..THydrogen-bonded Turntrans50.147.5177.8-61.1-70.5-175.3-176.90112.5K24 I158 A159 F479K22-K24 PolarHBondContact O-N 3.41Å; K22-I158 HydrophobicContact CB-CG2 4.49Å; K22-A159 HydrophobicContact CG-CB 4.33Å; K22-F479 HydrophobicContact CB-CE1 3.52Å; K22-F479 HydrophobicContact CB-CZ 3.62Å; K22-F479 HydrophobicContact CG-CE1 3.97Å; K22-F479 HydrophobicContact CG-CZ 4.38Å
23E92.8Very high97Very high185 Ų18524.5 Ų24.586%0.86412%0.116SC*.THydrogen-bonded Turntrans62.816.5-179.2-56.5167.2-168.100114.4F21F21-E23 VanDerWaalsContact C-N 3.26Å; F21-E23 PolarHBondContact O-N 3.17Å
24K96.8Very high96.8Very high40 Ų4026 Ų2617%0.17413%0.126CC..EExtended strand (participates in β ladder)trans-105.2133.8171.6-56.7-61.8159.5-176.10110.1S20 F21 K22 D54 N136 I138 I158 F479S20-K24 CarbonylContact C-O 3.57Å; S20-K24 VanDerWaalsContact CA-O 3.31Å; S20-K24 WeakPolarHBondContact CA-O 3.24Å; F21-K24 PolarHBondContact N-O 3.13Å; F21-K24 VanDerWaalsContact O-CB 3.31Å; F21-K24 WeakPolarHBondContact O-CB 3.41Å; F21-K24 PolarHBondContact O-N 3.13Å; K22-K24 PolarHBondContact O-N 3.41Å; K24-D54 VanDerWaalsContact CA-OD2 3.32Å; K24-D54 WeakPolarHBondContact CA-OD2 3.34Å; K24-N136 HydrophobicContact CD-CB 4.47Å; K24-N136 WeakPolarHBondContact CD-O 2.94Å; K24-N136 WeakPolarHBondContact CE-O 3.49Å; K24-N136 PolarHBondContact NZ-O 2.94Å; K24-I138 HydrophobicContact CB-CD1 4.01Å; K24-I138 HydrophobicContact CB-CG1 3.91Å; K24-I138 HydrophobicContact CD-CD1 4.34Å; K24-I138 HydrophobicContact CD-CG1 4.26Å; K24-I138 HydrophobicContact CG-CD1 4.43Å; K24-I138 HydrophobicContact CG-CG1 4.04Å; K24-I158 HydrophobicContact CB-CD1 4.27Å; K24-I158 HydrophobicContact CG-CG2 4.37Å; K24-F479 HydrophobicContact CG-CE2 4.24Å; K24-F479 HydrophobicContact CG-CZ 4.06Å
25N98.2Very high96.3Very high30 Ų3026.2 Ų26.216%0.1614%0.135CC..EExtended strand (participates in β ladder)trans-122.8126.1-180-52.9-68.8000110.2L18 L19 S20 R52 I53 D54 L55L18-N25 HydrophobicContact CD1-CB 4.24Å; L19-N25 CarbonylContact O-C 3.26Å; L19-N25 WeakPolarHBondContact O-CA 3.45Å; S20-N25 WeakPolarHBondContact CB-OD1 3.44Å; S20-N25 PolarHBondContact OG-OD1 2.92Å; N25-R52 WeakPolarHBondContact CB-O 3.45Å; N25-R52 PolarHBondContact ND2-O 2.95Å; N25-I53 HydrophobicContact CB-CD1 3.84Å; N25-D54 PolarHBondContact N-OD2 3.25Å; N25-D54 PolarHBondContact O-N 3.01Å; N25-L55 PolarHBondContact O-N 3.38Å
26I98.7Very high96Very high0 Ų029.8 Ų29.80%015%0.152CC..EExtended strand (participates in β ladder)trans-124.9130.5-177.9-52.6169.3000107.9L19 L28 L55 L57 I138 I156 I158L19-I26 HydrophobicContact CB-CB 4.28Å; L19-I26 HydrophobicContact CD2-CD1 4.34Å; L19-I26 PolarHBondContact N-O 2.93Å; L19-I26 PolarHBondContact O-N 2.88Å; I26-L28 HydrophobicContact CG2-CD2 3.76Å; I26-L55 CarbonylContact C-O 3.5Å; I26-L55 VanDerWaalsContact CA-O 3.24Å; I26-L55 WeakPolarHBondContact CA-O 3.14Å; I26-L55 HydrophobicContact CG1-CB 4.27Å; I26-L55 HydrophobicContact CG2-CB 4.2Å; I26-L55 HydrophobicContact CG2-CD2 4.23Å; I26-L55 HydrophobicContact CG2-CG 4.32Å; I26-L57 HydrophobicContact CG2-CD1 4.21Å; I26-L57 HydrophobicContact CG2-CG 4.34Å; I26-I138 HydrophobicContact CD1-CB 4.43Å; I26-I138 HydrophobicContact CD1-CD1 4.08Å; I26-I138 HydrophobicContact CD1-CG1 4.16Å; I26-I138 HydrophobicContact CD1-CG2 3.43Å; I26-I138 VanDerWaalsContact CD1-CG2 3.43Å; I26-I138 HydrophobicContact CG1-CD1 3.83Å; I26-I138 HydrophobicContact CG1-CG1 4.43Å; I26-I138 HydrophobicContact CG1-CG2 4.3Å; I26-I156 HydrophobicContact CD1-CG2 3.41Å; I26-I156 VanDerWaalsContact CD1-CG2 3.41Å; I26-I156 HydrophobicContact CG2-CD1 4.42Å; I26-I158 HydrophobicContact CD1-CD1 3.67Å; I26-I158 HydrophobicContact CD1-CG1 4.38Å
27L98.7Very high95.5Very high0 Ų033.2 Ų33.20%017%0.174CC..EExtended strand (participates in β ladder)trans-101.2130172.7-163.666.3000108.8I17 L18 I48 I53 L55 L56 L57 F72I17-L27 CarbonylContact O-C 2.98Å; I17-L27 WeakPolarHBondContact O-CA 3.2Å; L18-L27 HydrophobicContact CB-CD1 4.19Å; L18-L27 HydrophobicContact CD1-CD1 4.39Å; L27-I48 HydrophobicContact CD1-CD1 3.97Å; L27-I48 HydrophobicContact CD2-CD1 4.36Å; L27-I53 HydrophobicContact CB-CG2 3.95Å; L27-L55 PolarHBondContact N-O 3.47Å; L27-L56 HydrophobicContact CB-CD1 3.73Å; L27-L56 HydrophobicContact CD2-CD1 3.96Å; L27-L56 HydrophobicContact CG-CD1 3.89Å; L27-L56 CarbonylContact O-C 3.58Å; L27-L56 VanDerWaalsContact O-CA 3.32Å; L27-L56 WeakPolarHBondContact O-CA 3.11Å; L27-L56 WeakPolarHBondContact O-CD1 3.13Å; L27-L57 PolarHBondContact O-N 3.35Å; L27-F72 HydrophobicContact CD2-CD2 4.37Å; L27-F72 HydrophobicContact CD2-CE1 3.87Å; L27-F72 HydrophobicContact CD2-CE2 3.69Å; L27-F72 HydrophobicContact CD2-CZ 3.41Å; L27-F72 VanDerWaalsContact CD2-CZ 3.41Å
28L98.8Very high95.1Very high0 Ų033.1 Ų33.10%017%0.174CC..EExtended strand (participates in β ladder)trans-113.1117.8-178.6-51173.7000108.6C16 I17 I26 L57 I156 Y165 I191C16-L28 WeakPolarHBondContact CA-O 3.41Å; I17-L28 HydrophobicContact CB-CB 4.21Å; I17-L28 HydrophobicContact CB-CD1 4.46Å; I17-L28 PolarHBondContact N-O 3.01Å; I17-L28 PolarHBondContact O-N 2.7Å; I26-L28 HydrophobicContact CG2-CD2 3.76Å; L28-L57 HydrophobicContact CD2-CB 4.12Å; L28-L57 HydrophobicContact CD2-CD1 4.07Å; L28-L57 HydrophobicContact CD2-CG 4.47Å; L28-I156 HydrophobicContact CD1-CD1 4.39Å; L28-I156 HydrophobicContact CD2-CD1 3.49Å; L28-I156 VanDerWaalsContact CD2-CD1 3.49Å; L28-Y165 HydrophobicContact CB-CD1 3.72Å; L28-Y165 HydrophobicContact CB-CE1 3.65Å; L28-Y165 HydrophobicContact CB-CG 4.4Å; L28-Y165 HydrophobicContact CD1-CD1 3.92Å; L28-Y165 HydrophobicContact CD1-CD2 4.39Å; L28-Y165 HydrophobicContact CD1-CG 3.82Å; L28-Y165 HydrophobicContact CD2-CD1 4.26Å; L28-Y165 HydrophobicContact CG-CD1 4.18Å; L28-I191 HydrophobicContact CD1-CD1 4.02Å
29D98.8Very high94.8Very high0 Ų037.1 Ų37.10%020%0.199CC..  trans56.2160.7-168.7-66.1-38.4000114.3S15 L57 I58 T59 H65 Y165S15-D29 CarbonylContact O-C 3.52Å; S15-D29 WeakPolarHBondContact O-CB 3.19Å; D29-L57 PolarHBondContact N-O 2.73Å; D29-I58 WeakPolarHBondContact OD1-CA 3.46Å; D29-T59 VanDerWaalsContact CG-OG1 3.31Å; D29-T59 PolarHBondContact OD1-N 3.39Å; D29-T59 PolarHBondContact OD1-OG1 2.87Å; D29-T59 WeakPolarHBondContact OD2-CG2 3.38Å; D29-T59 PolarHBondContact OD2-OG1 2.61Å; D29-H65 HydrophobicContact CB-CB 4.28Å; D29-H65 WeakPolarHBondContact CB-O 3.39Å; D29-H65 VanDerWaalsContact CG-ND1 3.33Å; D29-H65 IonicContact OD1-ND1 3.48Å; D29-H65 IonicContact OD2-CE1 3.12Å; D29-H65 IonicContact OD2-CG 3.15Å; D29-H65 IonicContact OD2-ND1 2.94Å; D29-H65 PolarHBondContact OD2-ND1 2.71Å; D29-Y165 VanDerWaalsContact OD2-CE1 3.22Å; D29-Y165 WeakPolarHBondContact OD2-CE1 3.11Å; D29-Y165 VanDerWaalsContact OD2-CZ 3.29Å; D29-Y165 PolarHBondContact OD2-OH 2.67Å
30C98.6Very high94.5Very high0 Ų042.9 Ų42.90%023%0.229CC..  trans-154.378.2174.5-164.80000108.5S15 L56 I58 H65 C66 G67 A68 L69S15-C30 PolarHBondContact O-N 3.13Å; C30-L56 HydrophobicContact CB-CD1 4.4Å; C30-I58 HydrophobicContact CB-CD1 4.27Å; C30-H65 CarbonylContact C-O 3.53Å; C30-H65 PolarHBondContact N-O 2.95Å; C30-C66 CarbonylContact O-C 3.59Å; C30-C66 VanDerWaalsContact O-CA 3.29Å; C30-C66 WeakPolarHBondContact O-CA 3.4Å; C30-G67 PolarHBondContact O-N 2.9Å; C30-A68 WeakPolarHBondContact O-CA 3.47Å; C30-A68 WeakPolarHBondContact O-CB 3.38Å; C30-A68 PolarHBondContact O-N 2.79Å; C30-L69 PolarHBondContact O-N 3.35Å
31G98.3Very high94.4Very high0 Ų041.3 Ų41.30%022%0.218CC..  trans-99.3178.8-175.300000115.9S15 P43 L63 D64 A68S15-G31 PolarHBondContact O-N 2.97Å; G31-P43 VanDerWaalsContact O-CD 3.25Å; G31-P43 WeakPolarHBondContact O-CD 3.23Å; G31-P43 WeakPolarHBondContact O-CG 3.31Å; G31-L63 CarbonylContact C-O 3.39Å; G31-L63 VanDerWaalsContact CA-O 3.23Å; G31-L63 WeakPolarHBondContact CA-O 3.37Å; G31-D64 VanDerWaalsContact CA-C 3.44Å; G31-D64 WeakPolarHBondContact CA-O 3.37Å; G31-A68 VanDerWaalsContact O-CB 3.23Å; G31-A68 WeakPolarHBondContact O-CB 3.31Å
32I96.1Very high94.4Very high7 Ų740.4 Ų40.44%0.03622%0.215CC..  trans-112.6151.5169.659.7177.8000111.7R14 P34 A41 L42 L63 D64 A68 Y99 L111R14-I32 PolarHBondContact N-O 3.06Å; R14-I32 VanDerWaalsContact N-O 3.09Å; I32-P34 WeakPolarHBondContact O-CD 3.42Å; I32-A41 CarbonylContact C-O 3.25Å; I32-A41 VanDerWaalsContact CA-O 3.24Å; I32-A41 WeakPolarHBondContact CA-O 3.5Å; I32-A41 HydrophobicContact CB-CB 4.18Å; I32-L42 HydrophobicContact CG2-CD2 4.45Å; I32-L63 HydrophobicContact CD1-CB 4.09Å; I32-L63 HydrophobicContact CD1-CD1 4.42Å; I32-L63 HydrophobicContact CG1-CB 3.92Å; I32-L63 WeakPolarHBondContact CG1-O 3.27Å; I32-L63 PolarHBondContact N-O 2.83Å; I32-D64 VanDerWaalsContact O-CA 3.26Å; I32-D64 WeakPolarHBondContact O-CA 3.28Å; I32-A68 HydrophobicContact CG2-CB 3.97Å; I32-Y99 HydrophobicContact CD1-CD2 4.34Å; I32-Y99 HydrophobicContact CD1-CE1 4.19Å; I32-Y99 HydrophobicContact CD1-CE2 3.64Å; I32-L111 HydrophobicContact CG2-CD1 3.64Å
33H94.6Very high94.8Very high20 Ų2034.8 Ų34.89%0.09319%0.191CC..  trans-81.7118.1177.6-172.5-73000109.7E11 R14 G35 M36 A41E11-H33 IonicContact OE2-CD2 2.68Å; R14-H33 HydrophobicContact CB-CB 4.03Å; R14-H33 HydrophobicContact CG-CB 3.9Å; H33-G35 VanDerWaalsContact C-N 3.25Å; H33-G35 WeakPolarHBondContact ND1-CA 3.33Å; H33-G35 PolarHBondContact ND1-N 2.74Å; H33-G35 PolarHBondContact O-N 3.19Å; H33-M36 HydrophobicContact CB-CB 4.15Å; H33-M36 HydrophobicContact CB-CG 4.27Å; H33-M36 HydrophobicContact CB-SD 4.12Å; H33-M36 PolarHBondContact O-N 2.99Å; H33-A41 PolarHBondContact N-O 2.8Å
34P89.2Confident95Very high30 Ų3029.5 Ų29.520%0.19517%0.165CC..THydrogen-bonded Turntrans-60.9-31.6-174.3-27.337.5000114I32 M36 D64 Q322 V348I32-P34 WeakPolarHBondContact O-CD 3.42Å; P34-M36 VanDerWaalsContact C-N 3.32Å; P34-M36 PolarHBondContact O-N 2.88Å; P34-D64 HydrophobicContact CG-CB 4.35Å; P34-Q322 PolarHBondContact O-NE2 3.37Å; P34-Q322 PolarHBondContact O-OE1 3.34Å; P34-V348 HydrophobicContact CB-CB 4.39Å; P34-V348 HydrophobicContact CB-CG1 4.44Å; P34-V348 HydrophobicContact CB-CG2 4.3Å; P34-V348 HydrophobicContact CG-CG2 4.14Å
35G87.7Confident94.8Very high27 Ų2728.1 Ų28.128%0.27816%0.16SC..THydrogen-bonded Turntrans-81.32.5177.200000115.8H33H33-G35 VanDerWaalsContact C-N 3.25Å; H33-G35 WeakPolarHBondContact ND1-CA 3.33Å; H33-G35 PolarHBondContact ND1-N 2.74Å; H33-G35 PolarHBondContact O-N 3.19Å
36M90.9Very high94.5Very high78 Ų7834.1 Ų34.138%0.38419%0.192SC..  trans-126165.9-178.1-65.9176.1169.700110.6H33 P34 D40 A41H33-M36 HydrophobicContact CB-CB 4.15Å; H33-M36 HydrophobicContact CB-CG 4.27Å; H33-M36 HydrophobicContact CB-SD 4.12Å; H33-M36 PolarHBondContact O-N 2.99Å; P34-M36 VanDerWaalsContact C-N 3.32Å; P34-M36 PolarHBondContact O-N 2.88Å; M36-D40 HydrophobicContact CB-CB 4.5Å; M36-A41 HydrophobicContact CB-CB 3.99Å
37T88.6Confident94.3Very high73 Ų7338.6 Ų38.645%0.44822%0.216SC..  trans-134160.3-179.958.80000111.3D40 I105T37-D40 PolarHBondContact O-N 3.4Å; T37-I105 HydrophobicContact CG2-CD1 4.1Å; T37-I105 HydrophobicContact CG2-CG1 4.14Å
38G89.9Confident94.2Very high2 Ų239.2 Ų39.22%0.02122%0.219CC..G310 helixtrans57.9-146.4-179.400000113D40 A41 H109 L111G38-D40 PolarHBondContact O-N 2.87Å; G38-A41 WeakPolarHBondContact O-CB 3.33Å; G38-A41 PolarHBondContact O-N 3.04Å; G38-A41 VanDerWaalsContact O-N 3.1Å; G38-H109 VanDerWaalsContact CA-O 3.28Å; G38-H109 WeakPolarHBondContact CA-O 3.35Å; G38-L111 WeakPolarHBondContact O-CD2 3.44Å
39V91.5Very high94Very high103 Ų10342.9 Ų42.962%0.62424%0.238SC*.G310 helixtrans-61.7-30.5-176.71800000111.9A41 L42V39-A41 PolarHBondContact O-N 2.94Å; V39-L42 HydrophobicContact CG1-CD1 4.29Å; V39-L42 VanDerWaalsContact O-CB 3.29Å; V39-L42 WeakPolarHBondContact O-CB 3.33Å; V39-L42 PolarHBondContact O-N 3.29Å
40D92.9Very high93.9Very high121 Ų12143.2 Ų43.265%0.64724%0.241SC*.G310 helixtrans-64.7-25.1178.5-63.5-29.4000112.6R14 M36 T37 G38 L42R14-D40 PolarHBondContact NH1-O 3.31Å; M36-D40 HydrophobicContact CB-CB 4.5Å; T37-D40 PolarHBondContact O-N 3.4Å; G38-D40 PolarHBondContact O-N 2.87Å; D40-L42 VanDerWaalsContact C-N 3.27Å; D40-L42 PolarHBondContact O-N 2.97Å
41A94.2Very high93.9Very high0 Ų048 Ų480%026%0.263CS..G310 helixtrans-74.2-17.8175.400000113.1I32 H33 M36 G38 V39I32-A41 CarbonylContact C-O 3.25Å; I32-A41 VanDerWaalsContact CA-O 3.24Å; I32-A41 WeakPolarHBondContact CA-O 3.5Å; I32-A41 HydrophobicContact CB-CB 4.18Å; H33-A41 PolarHBondContact N-O 2.8Å; M36-A41 HydrophobicContact CB-CB 3.99Å; G38-A41 WeakPolarHBondContact O-CB 3.33Å; G38-A41 PolarHBondContact O-N 3.04Å; G38-A41 VanDerWaalsContact O-N 3.1Å; V39-A41 PolarHBondContact O-N 2.94Å
42L97.3Very high93.8Very high7 Ų756.2 Ų56.24%0.03729%0.294CS..SBendtrans-70.2159.2179.9-64.4175.3000111.2R14 I32 V39 D40 A68 W71 L111R14-L42 WeakPolarHBondContact CD-O 3.2Å; I32-L42 HydrophobicContact CG2-CD2 4.45Å; V39-L42 HydrophobicContact CG1-CD1 4.29Å; V39-L42 VanDerWaalsContact O-CB 3.29Å; V39-L42 WeakPolarHBondContact O-CB 3.33Å; V39-L42 PolarHBondContact O-N 3.29Å; D40-L42 VanDerWaalsContact C-N 3.27Å; D40-L42 PolarHBondContact O-N 2.97Å; L42-A68 HydrophobicContact CD2-CB 3.56Å; L42-W71 HydrophobicContact CD1-CD2 3.66Å; L42-W71 VanDerWaalsContact CD1-CE2 3.5Å; L42-W71 HydrophobicContact CD1-CE3 3.99Å; L42-W71 HydrophobicContact CD1-CG 4.15Å; L42-W71 HydrophobicContact CD1-CH2 4.09Å; L42-W71 HydrophobicContact CD1-CZ2 3.75Å; L42-W71 HydrophobicContact CD1-CZ3 4.2Å; L42-W71 HydrophobicContact CD2-CB 4.38Å; L42-W71 HydrophobicContact CD2-CD2 4.27Å; L42-W71 HydrophobicContact CD2-CE3 4.47Å; L42-W71 HydrophobicContact CD2-CG 4.21Å; L42-L111 HydrophobicContact CD1-CD2 3.94Å; L42-L111 HydrophobicContact CD2-CD1 3.75Å; L42-L111 HydrophobicContact CD2-CD2 3.9Å; L42-L111 HydrophobicContact CD2-CG 4.43Å; L42-L111 HydrophobicContact CG-CD1 4.37Å; L42-L111 HydrophobicContact CG-CD2 3.83Å
43P97.8Very high93.9Very high8 Ų856.1 Ų56.15%0.05229%0.294CS..  trans-58.7169.4161.8-19.834.6000110.9K6 R14 C16 G31 V45 A68K6-P43 CarbonylContact O-C 3.59Å; K6-P43 WeakPolarHBondContact O-CA 3.36Å; K6-P43 VanDerWaalsContact O-CB 3.29Å; K6-P43 WeakPolarHBondContact O-CB 3.42Å; R14-P43 HydrophobicContact CB-CG 4.38Å; C16-P43 HydrophobicContact CB-CB 3.47Å; C16-P43 VanDerWaalsContact CB-CB 3.47Å; C16-P43 HydrophobicContact CB-CG 3.54Å; G31-P43 VanDerWaalsContact O-CD 3.25Å; G31-P43 WeakPolarHBondContact O-CD 3.23Å; G31-P43 WeakPolarHBondContact O-CG 3.31Å; P43-V45 HydrophobicContact CB-CG2 4.11Å; P43-V45 HydrophobicContact CG-CG2 4.47Å; P43-V45 WeakPolarHBondContact O-CG2 3.31Å; P43-V45 PolarHBondContact O-N 2.83Å; P43-A68 HydrophobicContact CG-CB 4.47Å
44F96.8Very high94.1Very high73 Ų7356.2 Ų56.232%0.3230%0.295SS..SBendtrans-72.161.9172.9-61.4-81.5000111.3K6 D46 L47 N439 T440K6-F44 VanDerWaalsContact O-CD2 3.25Å; K6-F44 WeakPolarHBondContact O-CD2 3.46Å; K6-F44 PolarHBondContact O-N 3.39Å; F44-D46 VanDerWaalsContact C-N 3.28Å; F44-D46 PolarHBondContact O-N 2.98Å; F44-L47 HydrophobicContact CB-CD1 4.05Å; F44-L47 HydrophobicContact CB-CG 4.36Å; F44-L47 WeakPolarHBondContact O-CB 3.31Å; F44-L47 PolarHBondContact O-N 3.46Å; F44-L47 VanDerWaalsContact O-N 3.14Å; F44-N439 HydrophobicContact CD2-CB 4.07Å; F44-N439 HydrophobicContact CE2-CB 3.53Å; F44-N439 HydrophobicContact CZ-CB 4.34Å; F44-T440 HydrophobicContact CD1-CG2 4.42Å; F44-T440 HydrophobicContact CD2-CG2 4.2Å; F44-T440 HydrophobicContact CG-CG2 4.12Å
45V93.2Very high94.5Very high11 Ų1154.8 Ų54.87%0.06729%0.286CS..G310 helixtrans-66.4-29-172.9-175.50000112P43 L47 I48 W71 F72 T76P43-V45 HydrophobicContact CB-CG2 4.11Å; P43-V45 HydrophobicContact CG-CG2 4.47Å; P43-V45 WeakPolarHBondContact O-CG2 3.31Å; P43-V45 PolarHBondContact O-N 2.83Å; V45-L47 PolarHBondContact O-N 3.34Å; V45-I48 WeakPolarHBondContact O-CA 3.45Å; V45-I48 WeakPolarHBondContact O-CB 3.39Å; V45-I48 PolarHBondContact O-N 2.86Å; V45-W71 HydrophobicContact CB-CZ3 4.07Å; V45-W71 HydrophobicContact CG1-CH2 4.43Å; V45-W71 HydrophobicContact CG1-CZ3 3.84Å; V45-W71 HydrophobicContact CG2-CZ3 4.09Å; V45-F72 HydrophobicContact CG1-CD2 3.99Å; V45-F72 HydrophobicContact CG1-CE2 3.84Å; V45-F72 HydrophobicContact CG2-CD2 4.39Å; V45-T76 HydrophobicContact CG1-CG2 4.2Å
46D92.6Very high95.1Very high157 Ų15753.5 Ų53.584%0.8427%0.272SS*.G310 helixtrans-59.7-18.7175-61.5-33.8000113.2F44 I48F44-D46 VanDerWaalsContact C-N 3.28Å; F44-D46 PolarHBondContact O-N 2.98Å; D46-I48 VanDerWaalsContact C-N 3.35Å
47L94.3Very high95.4Very high94 Ų9449.8 Ų49.849%0.49225%0.254SS..G310 helixtrans-94.811.7176.1-53.6-179000113K6 F44 V45 T440K6-L47 HydrophobicContact CD-CB 4.28Å; K6-L47 WeakPolarHBondContact CE-O 3.28Å; K6-L47 PolarHBondContact NZ-O 3.1Å; F44-L47 HydrophobicContact CB-CD1 4.05Å; F44-L47 HydrophobicContact CB-CG 4.36Å; F44-L47 WeakPolarHBondContact O-CB 3.31Å; F44-L47 PolarHBondContact O-N 3.46Å; F44-L47 VanDerWaalsContact O-N 3.14Å; V45-L47 PolarHBondContact O-N 3.34Å; L47-T440 HydrophobicContact CD1-CG2 3.56Å
48I95.3Very high95.9Very high12 Ų1246.3 Ų46.36%0.06223%0.233CC..SBendtrans-117.6119.2-179.4-51.8177.8000108.9K6 L27 V45 D46 C50 I53K6-I48 HydrophobicContact CB-CD1 4.04Å; K6-I48 HydrophobicContact CB-CG1 4.44Å; K6-I48 HydrophobicContact CD-CG1 4.18Å; K6-I48 HydrophobicContact CG-CD1 3.86Å; K6-I48 HydrophobicContact CG-CG1 3.83Å; L27-I48 HydrophobicContact CD1-CD1 3.97Å; L27-I48 HydrophobicContact CD2-CD1 4.36Å; V45-I48 WeakPolarHBondContact O-CA 3.45Å; V45-I48 WeakPolarHBondContact O-CB 3.39Å; V45-I48 PolarHBondContact O-N 2.86Å; D46-I48 VanDerWaalsContact C-N 3.35Å; I48-C50 VanDerWaalsContact C-N 3.28Å; I48-C50 PolarHBondContact O-N 2.66Å; I48-C50 PolarHBondContact O-SG 2.86Å; I48-C50 VanDerWaalsContact O-SG 3.38Å; I48-I53 HydrophobicContact CG2-CD1 3.88Å; I48-I53 HydrophobicContact CG2-CG1 4.07Å
49D96Very high96.4Very high77 Ų7746.2 Ų46.241%0.41223%0.232SC..  trans-73.587165.8-172.4-12.1000109.1E51 R52D49-E51 PolarHBondContact O-N 3.33Å; D49-R52 HydrophobicContact CB-CB 4.4Å; D49-R52 HydrophobicContact CB-CG 4.41Å; D49-R52 PolarHBondContact O-N 2.84Å; D49-R52 VanDerWaalsContact O-N 3.08Å; D49-R52 WeakPolarHBondContact OD2-CD 3.44Å; D49-R52 WeakPolarHBondContact OD2-CG 3.4Å; D49-R52 IonicContact OD2-CZ 3.95Å; D49-R52 IonicContact OD2-NE 3.12Å; D49-R52 PolarHBondContact OD2-NE 2.91Å
50C97.3Very high96.7Very high8 Ų841.3 Ų41.35%0.05420%0.202CC..G310 helixtrans-62.1-31-170.7-64.20000112.8I48 R52 I53 F72 F78I48-C50 VanDerWaalsContact C-N 3.28Å; I48-C50 PolarHBondContact O-N 2.66Å; I48-C50 PolarHBondContact O-SG 2.86Å; I48-C50 VanDerWaalsContact O-SG 3.38Å; C50-R52 PolarHBondContact O-N 3.41Å; C50-I53 PolarHBondContact O-N 3.38Å; C50-F72 HydrophobicContact CB-CZ 4.28Å; C50-F78 WeakPolarHBondContact O-CA 3.32Å
51E96.6Very high96.8Very high101 Ų10135.7 Ų35.747%0.47217%0.172SC..G310 helixtrans-67.3-25.3178.6-173.5168.6-155.900111.9D49 S77 R79D49-E51 PolarHBondContact O-N 3.33Å; E51-S77 WeakPolarHBondContact CA-O 3.49Å; E51-S77 PolarHBondContact N-OG 2.84Å; E51-R79 IonicContact OE1-CZ 3.04Å; E51-R79 VanDerWaalsContact OE1-CZ 3.3Å; E51-R79 IonicContact OE1-NE 3.88Å; E51-R79 IonicContact OE1-NH1 3.24Å; E51-R79 PolarHBondContact OE1-NH1 3.48Å; E51-R79 IonicContact OE1-NH2 3.32Å
52R96.9Very high96.8Very high171 Ų17137.2 Ų37.265%0.64518%0.179SC*.G310 helixtrans-89.2-2.3-180-66.9-170.8-176.1-179.20.2114.7N25 D49 C50 D54N25-R52 WeakPolarHBondContact CB-O 3.45Å; N25-R52 PolarHBondContact ND2-O 2.95Å; D49-R52 HydrophobicContact CB-CB 4.4Å; D49-R52 HydrophobicContact CB-CG 4.41Å; D49-R52 PolarHBondContact O-N 2.84Å; D49-R52 VanDerWaalsContact O-N 3.08Å; D49-R52 WeakPolarHBondContact OD2-CD 3.44Å; D49-R52 WeakPolarHBondContact OD2-CG 3.4Å; D49-R52 IonicContact OD2-CZ 3.95Å; D49-R52 IonicContact OD2-NE 3.12Å; D49-R52 PolarHBondContact OD2-NE 2.91Å; C50-R52 PolarHBondContact O-N 3.41Å; R52-D54 PolarHBondContact O-N 2.78Å
53I98.3Very high96.7Very high5 Ų539.1 Ų39.13%0.02619%0.189CC..  trans-77118.2177.4-52.6-57.2000109.3L18 N25 L27 I48 C50 L55 F78 G80L18-I53 HydrophobicContact CD1-CD1 3.35Å; N25-I53 HydrophobicContact CB-CD1 3.84Å; L27-I53 HydrophobicContact CB-CG2 3.95Å; I48-I53 HydrophobicContact CG2-CD1 3.88Å; I48-I53 HydrophobicContact CG2-CG1 4.07Å; C50-I53 PolarHBondContact O-N 3.38Å; I53-L55 WeakPolarHBondContact CG2-O 3.5Å; I53-F78 HydrophobicContact CB-CD2 3.88Å; I53-F78 HydrophobicContact CB-CE2 3.89Å; I53-F78 HydrophobicContact CG2-CD2 4.14Å; I53-F78 HydrophobicContact CG2-CE2 3.7Å; I53-G80 VanDerWaalsContact O-CA 3.3Å; I53-G80 WeakPolarHBondContact O-CA 3.38Å; I53-G80 PolarHBondContact O-N 3.1Å
54D98.4Very high96.6Very high22 Ų2239.7 Ų39.712%0.11819%0.192CC..  trans-77.6-38.5177.3-65-83.5000111.8K24 N25 R52 G80 R81 N136 I138K24-D54 VanDerWaalsContact CA-OD2 3.32Å; K24-D54 WeakPolarHBondContact CA-OD2 3.34Å; N25-D54 PolarHBondContact N-OD2 3.25Å; N25-D54 PolarHBondContact O-N 3.01Å; R52-D54 PolarHBondContact O-N 2.78Å; D54-G80 VanDerWaalsContact O-CA 3.27Å; D54-G80 WeakPolarHBondContact O-CA 3.34Å; D54-R81 PolarHBondContact O-N 2.96Å; D54-N136 PolarHBondContact OD1-ND2 3.02Å; D54-I138 HydrophobicContact CB-CD1 3.64Å
55L98.7Very high96.7Very high0 Ų036.2 Ų36.20%018%0.177CC..EExtended strand (participates in β ladder)trans-145133.8-167.1-173.968000110.9N25 I26 L27 I53 L57 R81 F83 V135 I138 F140N25-L55 PolarHBondContact O-N 3.38Å; I26-L55 CarbonylContact C-O 3.5Å; I26-L55 VanDerWaalsContact CA-O 3.24Å; I26-L55 WeakPolarHBondContact CA-O 3.14Å; I26-L55 HydrophobicContact CG1-CB 4.27Å; I26-L55 HydrophobicContact CG2-CB 4.2Å; I26-L55 HydrophobicContact CG2-CD2 4.23Å; I26-L55 HydrophobicContact CG2-CG 4.32Å; L27-L55 PolarHBondContact N-O 3.47Å; I53-L55 WeakPolarHBondContact CG2-O 3.5Å; L55-L57 HydrophobicContact CD1-CD2 3.96Å; L55-L57 HydrophobicContact CD2-CD1 3.97Å; L55-L57 HydrophobicContact CD2-CD2 3.89Å; L55-L57 HydrophobicContact CD2-CG 3.98Å; L55-L57 HydrophobicContact CG-CD1 4.48Å; L55-L57 HydrophobicContact CG-CD2 3.79Å; L55-L57 HydrophobicContact CG-CG 3.94Å; L55-R81 CarbonylContact C-O 3.54Å; L55-R81 WeakPolarHBondContact CA-O 3.22Å; L55-R81 HydrophobicContact CD1-CB 4.47Å; L55-F83 HydrophobicContact CD1-CD2 3.53Å; L55-F83 HydrophobicContact CD1-CE2 3.78Å; L55-V135 HydrophobicContact CD1-CB 4.32Å; L55-V135 HydrophobicContact CD1-CG2 4.16Å; L55-I138 HydrophobicContact CB-CD1 4.21Å; L55-I138 HydrophobicContact CD2-CG2 3.83Å; L55-F140 HydrophobicContact CD1-CE1 3.84Å; L55-F140 HydrophobicContact CD1-CZ 3.87Å; L55-F140 HydrophobicContact CD2-CD1 3.55Å; L55-F140 HydrophobicContact CD2-CE1 3.69Å; L55-F140 HydrophobicContact CD2-CG 4.03Å; L55-F140 HydrophobicContact CD2-CZ 4.27Å; L55-F140 HydrophobicContact CG-CE1 4.45Å
56L98.8Very high96.9Very high0 Ų035.7 Ų35.70%017%0.173CC..EExtended strand (participates in β ladder)trans-118.9125.6171.9172.557.1000108.6L27 C30 I58 L69 F72 L73 F78 R81 C82 F83L27-L56 HydrophobicContact CB-CD1 3.73Å; L27-L56 HydrophobicContact CD2-CD1 3.96Å; L27-L56 HydrophobicContact CG-CD1 3.89Å; L27-L56 CarbonylContact O-C 3.58Å; L27-L56 VanDerWaalsContact O-CA 3.32Å; L27-L56 WeakPolarHBondContact O-CA 3.11Å; L27-L56 WeakPolarHBondContact O-CD1 3.13Å; C30-L56 HydrophobicContact CB-CD1 4.4Å; L56-I58 HydrophobicContact CD1-CD1 3.9Å; L56-I58 HydrophobicContact CG-CD1 4.18Å; L56-L69 HydrophobicContact CD2-CD1 3.32Å; L56-L69 HydrophobicContact CG-CD1 4.27Å; L56-F72 HydrophobicContact CD2-CD1 3.87Å; L56-F72 HydrophobicContact CD2-CE1 4.13Å; L56-L73 HydrophobicContact CD2-CD2 4.28Å; L56-F78 HydrophobicContact CB-CE2 4.2Å; L56-F78 HydrophobicContact CB-CZ 3.9Å; L56-R81 PolarHBondContact N-O 2.86Å; L56-C82 HydrophobicContact CB-CB 4.29Å; L56-C82 HydrophobicContact CD2-CB 4.47Å; L56-C82 CarbonylContact O-C 3.44Å; L56-C82 VanDerWaalsContact O-CA 3.27Å; L56-C82 WeakPolarHBondContact O-CA 3.44Å; L56-F83 PolarHBondContact O-N 2.98Å
57L98.9Very high97.1Very high0 Ų028.2 Ų28.20%013%0.133CC..EExtended strand (participates in β ladder)trans-121.1121.8-176.3-60.9179.8000110I26 L27 L28 D29 L55 F83 F140 F154 I156I26-L57 HydrophobicContact CG2-CD1 4.21Å; I26-L57 HydrophobicContact CG2-CG 4.34Å; L27-L57 PolarHBondContact O-N 3.35Å; L28-L57 HydrophobicContact CD2-CB 4.12Å; L28-L57 HydrophobicContact CD2-CD1 4.07Å; L28-L57 HydrophobicContact CD2-CG 4.47Å; D29-L57 PolarHBondContact N-O 2.73Å; L55-L57 HydrophobicContact CD1-CD2 3.96Å; L55-L57 HydrophobicContact CD2-CD1 3.97Å; L55-L57 HydrophobicContact CD2-CD2 3.89Å; L55-L57 HydrophobicContact CD2-CG 3.98Å; L55-L57 HydrophobicContact CG-CD1 4.48Å; L55-L57 HydrophobicContact CG-CD2 3.79Å; L55-L57 HydrophobicContact CG-CG 3.94Å; L57-F83 HydrophobicContact CD2-CB 3.83Å; L57-F83 HydrophobicContact CD2-CD2 4.48Å; L57-F140 HydrophobicContact CD1-CB 4.49Å; L57-F140 HydrophobicContact CD1-CD2 4.35Å; L57-F140 HydrophobicContact CD1-CG 4.49Å; L57-F140 HydrophobicContact CD2-CD2 3.8Å; L57-F140 HydrophobicContact CD2-CE2 3.72Å; L57-F140 HydrophobicContact CD2-CG 4.47Å; L57-F140 HydrophobicContact CD2-CZ 4.35Å; L57-F154 HydrophobicContact CB-CD1 4.42Å; L57-F154 HydrophobicContact CB-CD2 3.83Å; L57-F154 HydrophobicContact CB-CE1 4.35Å; L57-F154 HydrophobicContact CB-CE2 3.73Å; L57-F154 HydrophobicContact CB-CG 4.17Å; L57-F154 HydrophobicContact CB-CZ 4.01Å; L57-F154 HydrophobicContact CD1-CB 4.15Å; L57-F154 HydrophobicContact CD1-CD1 3.91Å; L57-F154 HydrophobicContact CD1-CD2 4.39Å; L57-F154 HydrophobicContact CD1-CE1 4.41Å; L57-F154 HydrophobicContact CD1-CG 3.9Å; L57-F154 HydrophobicContact CD2-CD1 4.35Å; L57-F154 HydrophobicContact CD2-CE1 4.04Å; L57-F154 HydrophobicContact CD2-CZ 4.29Å; L57-F154 HydrophobicContact CG-CD1 4.46Å; L57-I156 HydrophobicContact CD1-CD1 3.88Å; L57-I156 HydrophobicContact CD1-CG1 3.94Å
58I98.9Very high97.3Very high0 Ų023.8 Ų23.80%011%0.11CC..  trans-108.8120.7-179.9-52.5-60.4000109.9D29 C30 L56 H60 C66 L69 F83 M84 T88 F154D29-I58 WeakPolarHBondContact OD1-CA 3.46Å; C30-I58 HydrophobicContact CB-CD1 4.27Å; L56-I58 HydrophobicContact CD1-CD1 3.9Å; L56-I58 HydrophobicContact CG-CD1 4.18Å; I58-H60 WeakPolarHBondContact CG2-O 3.34Å; I58-C66 HydrophobicContact CG2-CB 3.67Å; I58-L69 HydrophobicContact CD1-CD1 4.19Å; I58-L69 HydrophobicContact CD1-CD2 4.34Å; I58-L69 HydrophobicContact CG1-CD1 4.41Å; I58-L69 HydrophobicContact CG1-CD2 3.89Å; I58-F83 PolarHBondContact N-O 2.79Å; I58-M84 HydrophobicContact CB-CB 4.07Å; I58-M84 HydrophobicContact CB-CE 3.93Å; I58-M84 HydrophobicContact CG1-CE 3.85Å; I58-M84 HydrophobicContact CG2-CE 4.21Å; I58-T88 HydrophobicContact CG2-CG2 4.49Å; I58-F154 WeakPolarHBondContact O-CE2 3.47Å
59T98.8Very high97.5Very high1 Ų123.2 Ų23.21%0.00611%0.107CC..  trans-72.5-43.4-172.755.30000111.9D29 H65 A151 C152 F154 Y165D29-T59 VanDerWaalsContact CG-OG1 3.31Å; D29-T59 PolarHBondContact OD1-N 3.39Å; D29-T59 PolarHBondContact OD1-OG1 2.87Å; D29-T59 WeakPolarHBondContact OD2-CG2 3.38Å; D29-T59 PolarHBondContact OD2-OG1 2.61Å; T59-H65 PolarHBondContact OG1-ND1 3.37Å; T59-A151 WeakPolarHBondContact O-CA 3.23Å; T59-C152 WeakPolarHBondContact CB-O 3.26Å; T59-C152 PolarHBondContact O-N 3.17Å; T59-C152 PolarHBondContact O-SG 3.21Å; T59-F154 HydrophobicContact CG2-CD2 3.98Å; T59-F154 HydrophobicContact CG2-CE2 4.23Å; T59-Y165 HydrophobicContact CG2-CD1 3.66Å; T59-Y165 HydrophobicContact CG2-CE1 3.3Å
60H97.9Very high97.6Very high0 Ų019.5 Ų19.50%09%0.087CC..  trans-161.6177.6-178.268.8-74.3000112.4I58 H62 H65 H147 V148 A151 D168I58-H60 WeakPolarHBondContact CG2-O 3.34Å; H60-H62 AromaticContact CD2-CG 3.41Å; H60-H62 VanDerWaalsContact CD2-CG 3.41Å; H60-H62 AromaticContact CD2-ND1 3.38Å; H60-H62 PolarHBondContact CD2-ND1 3.24Å; H60-H62 WeakPolarHBondContact NE2-CB 3.3Å; H60-H62 AromaticContact NE2-CG 3.38Å; H60-H62 AromaticContact NE2-ND1 3.07Å; H60-H62 PolarHBondContact NE2-ND1 3.08Å; H60-H65 AromaticContact CE1-CD2 3.13Å; H60-H65 PolarHBondContact CE1-CD2 3.32Å; H60-H65 AromaticContact CE1-CE1 3.67Å; H60-H65 AromaticContact CE1-CG 3.15Å; H60-H65 AromaticContact CE1-ND1 3.5Å; H60-H65 PolarHBondContact CE1-ND1 3.24Å; H60-H65 AromaticContact CE1-NE2 3.51Å; H60-H65 AromaticContact ND1-CG 3.66Å; H60-H65 AromaticContact ND1-ND1 3.87Å; H60-H65 AromaticContact NE2-CD2 3.56Å; H60-H65 AromaticContact NE2-CG 3.86Å; H60-H147 AromaticContact CD2-CD2 3.68Å; H60-H147 AromaticContact NE2-CD2 3.6Å; H60-H147 AromaticContact NE2-NE2 3.64Å; H60-V148 HydrophobicContact CB-CG2 3.87Å; H60-A151 HydrophobicContact CB-CB 3.73Å; H60-D168 IonicContact CE1-OD2 3.25Å; H60-D168 PolarHBondContact CE1-OD2 3.23Å; H60-D168 IonicContact NE2-OD2 3.47Å; H60-D168 PolarHBondContact NE2-OD2 2.91Å
61F95.9Very high97.6Very high2 Ų221.3 Ų21.31%0.0099%0.093CC..SBendtrans-91.86.3-166.860.7-104.7000115.1C66 T88 I91 I95 V148 L149 L232F61-C66 VanDerWaalsContact C-SG 3.5Å; F61-C66 PolarHBondContact O-SG 2.83Å; F61-T88 HydrophobicContact CB-CG2 4.14Å; F61-I91 HydrophobicContact CB-CB 4.14Å; F61-I91 HydrophobicContact CB-CG2 3.81Å; F61-I91 HydrophobicContact CD1-CB 3.74Å; F61-I91 HydrophobicContact CD1-CD1 3.62Å; F61-I91 HydrophobicContact CD1-CG1 4.26Å; F61-I91 HydrophobicContact CD1-CG2 3.56Å; F61-I91 HydrophobicContact CD2-CB 4.4Å; F61-I91 HydrophobicContact CD2-CG2 3.36Å; F61-I91 HydrophobicContact CE1-CB 4.22Å; F61-I91 HydrophobicContact CE1-CD1 3.3Å; F61-I91 HydrophobicContact CE1-CG1 4.32Å; F61-I91 HydrophobicContact CE1-CG2 3.9Å; F61-I91 HydrophobicContact CE2-CG2 3.74Å; F61-I91 HydrophobicContact CG-CB 3.83Å; F61-I91 HydrophobicContact CG-CD1 4.48Å; F61-I91 HydrophobicContact CG-CG2 3.27Å; F61-I91 HydrophobicContact CZ-CD1 3.96Å; F61-I91 HydrophobicContact CZ-CG2 3.98Å; F61-I95 HydrophobicContact CD2-CG1 4.18Å; F61-V148 HydrophobicContact CD1-CG2 3.99Å; F61-V148 HydrophobicContact CE1-CB 3.77Å; F61-V148 HydrophobicContact CE1-CG2 3.41Å; F61-V148 VanDerWaalsContact CE1-CG2 3.41Å; F61-V148 HydrophobicContact CE2-CG2 4.3Å; F61-V148 HydrophobicContact CZ-CB 3.62Å; F61-V148 HydrophobicContact CZ-CG1 4.12Å; F61-V148 HydrophobicContact CZ-CG2 3.6Å; F61-L149 WeakPolarHBondContact CE1-O 3.44Å; F61-L232 HydrophobicContact CE2-CB 3.83Å; F61-L232 HydrophobicContact CZ-CB 3.92Å
62H95Very high97.7Very high32 Ų3216.5 Ų16.515%0.1487%0.07CC..SBendtrans-67.7148.4176.3-68.8162.6000110.8H60 D64 H65 C66 H147 V148H60-H62 AromaticContact CD2-CG 3.41Å; H60-H62 VanDerWaalsContact CD2-CG 3.41Å; H60-H62 AromaticContact CD2-ND1 3.38Å; H60-H62 PolarHBondContact CD2-ND1 3.24Å; H60-H62 WeakPolarHBondContact NE2-CB 3.3Å; H60-H62 AromaticContact NE2-CG 3.38Å; H60-H62 AromaticContact NE2-ND1 3.07Å; H60-H62 PolarHBondContact NE2-ND1 3.08Å; H62-D64 WeakPolarHBondContact CB-OD1 3.44Å; H62-D64 PolarHBondContact O-N 3.3Å; H62-H65 PolarHBondContact O-N 2.85Å; H62-C66 PolarHBondContact O-N 3.1Å; H62-C66 PolarHBondContact O-SG 2.82Å; H62-C66 VanDerWaalsContact O-SG 3.34Å; H62-H147 AromaticContact CE1-CD2 3.79Å; H62-H147 AromaticContact CE1-CE1 3.9Å; H62-H147 AromaticContact CE1-NE2 2.97Å; H62-H147 PolarHBondContact CE1-NE2 3.17Å; H62-H147 AromaticContact ND1-CD2 3.87Å; H62-H147 AromaticContact ND1-NE2 3.07Å; H62-H147 PolarHBondContact ND1-NE2 3.12Å; H62-V148 WeakPolarHBondContact NE2-CG1 3.23Å
63L94.5Very high97.7Very high47 Ų478.5 Ų8.525%0.2464%0.041CC..Hα-helixtrans-60.9-35.2-173.3-69.8179000112G31 I32 H65 G67 I95 L96 Y99G31-L63 CarbonylContact C-O 3.39Å; G31-L63 VanDerWaalsContact CA-O 3.23Å; G31-L63 WeakPolarHBondContact CA-O 3.37Å; I32-L63 HydrophobicContact CD1-CB 4.09Å; I32-L63 HydrophobicContact CD1-CD1 4.42Å; I32-L63 HydrophobicContact CG1-CB 3.92Å; I32-L63 WeakPolarHBondContact CG1-O 3.27Å; I32-L63 PolarHBondContact N-O 2.83Å; L63-H65 PolarHBondContact O-N 3.47Å; L63-G67 WeakPolarHBondContact O-CA 3.31Å; L63-G67 PolarHBondContact O-N 3.37Å; L63-I95 HydrophobicContact CD2-CG2 3.78Å; L63-I95 HydrophobicContact CG-CG2 4.16Å; L63-L96 HydrophobicContact CD2-CD2 3.31Å; L63-Y99 HydrophobicContact CD1-CD2 3.79Å; L63-Y99 HydrophobicContact CD1-CE2 4.43Å; L63-Y99 HydrophobicContact CD1-CG 4.38Å; L63-Y99 HydrophobicContact CD2-CD2 4.46Å; L63-Y99 HydrophobicContact CD2-CG 4.31Å
64D95.9Very high97.6Very high21 Ų2110.5 Ų10.511%0.1125%0.05CC..Hα-helixtrans-71.2-3.2173.653.5-19.7000115.2S15 G31 I32 P34 H62 H407S15-D64 VanDerWaalsContact CB-O 3.24Å; S15-D64 WeakPolarHBondContact CB-O 3.35Å; S15-D64 PolarHBondContact N-O 3.42Å; S15-D64 PolarHBondContact OG-O 3Å; G31-D64 VanDerWaalsContact CA-C 3.44Å; G31-D64 WeakPolarHBondContact CA-O 3.37Å; I32-D64 VanDerWaalsContact O-CA 3.26Å; I32-D64 WeakPolarHBondContact O-CA 3.28Å; P34-D64 HydrophobicContact CG-CB 4.35Å; H62-D64 WeakPolarHBondContact CB-OD1 3.44Å; H62-D64 PolarHBondContact O-N 3.3Å; D64-H407 IonicContact OD2-CE1 3.91Å; D64-H407 IonicContact OD2-NE2 2.86Å; D64-H407 PolarHBondContact OD2-NE2 3.49Å
65H98.3Very high97.5Very high0 Ų014.3 Ų14.30%07%0.065CC..Hα-helixtrans-120.2-23.1173.1-71.7-99.3000114.1S15 D29 C30 T59 H60 H62 L63 D168 H407S15-H65 PolarHBondContact OG-CE1 3.29Å; S15-H65 VanDerWaalsContact OG-CE1 3.3Å; S15-H65 PolarHBondContact OG-NE2 3.46Å; D29-H65 HydrophobicContact CB-CB 4.28Å; D29-H65 WeakPolarHBondContact CB-O 3.39Å; D29-H65 VanDerWaalsContact CG-ND1 3.33Å; D29-H65 IonicContact OD1-ND1 3.48Å; D29-H65 IonicContact OD2-CE1 3.12Å; D29-H65 IonicContact OD2-CG 3.15Å; D29-H65 IonicContact OD2-ND1 2.94Å; D29-H65 PolarHBondContact OD2-ND1 2.71Å; C30-H65 CarbonylContact C-O 3.53Å; C30-H65 PolarHBondContact N-O 2.95Å; T59-H65 PolarHBondContact OG1-ND1 3.37Å; H60-H65 AromaticContact CE1-CD2 3.13Å; H60-H65 PolarHBondContact CE1-CD2 3.32Å; H60-H65 AromaticContact CE1-CE1 3.67Å; H60-H65 AromaticContact CE1-CG 3.15Å; H60-H65 AromaticContact CE1-ND1 3.5Å; H60-H65 PolarHBondContact CE1-ND1 3.24Å; H60-H65 AromaticContact CE1-NE2 3.51Å; H60-H65 AromaticContact ND1-CG 3.66Å; H60-H65 AromaticContact ND1-ND1 3.87Å; H60-H65 AromaticContact NE2-CD2 3.56Å; H60-H65 AromaticContact NE2-CG 3.86Å; H62-H65 PolarHBondContact O-N 2.85Å; L63-H65 PolarHBondContact O-N 3.47Å; H65-D168 IonicContact CD2-OD2 3.97Å; H65-D168 IonicContact CE1-OD1 3.58Å; H65-D168 IonicContact NE2-OD1 2.8Å; H65-D168 IonicContact NE2-OD2 3.19Å; H65-D168 PolarHBondContact NE2-OD2 3.45Å; H65-H407 AromaticContact NE2-CD2 3.93Å; H65-H407 AromaticContact NE2-CE1 3.93Å; H65-H407 AromaticContact NE2-NE2 3.66Å
66C98.2Very high97.5Very high0 Ų015.9 Ų15.90%08%0.075CC..Hα-helixtrans-135.1-4.3-178.677.80000115.3C30 I58 F61 H62 A68 L69 Y92C30-C66 CarbonylContact O-C 3.59Å; C30-C66 VanDerWaalsContact O-CA 3.29Å; C30-C66 WeakPolarHBondContact O-CA 3.4Å; I58-C66 HydrophobicContact CG2-CB 3.67Å; F61-C66 VanDerWaalsContact C-SG 3.5Å; F61-C66 PolarHBondContact O-SG 2.83Å; H62-C66 PolarHBondContact O-N 3.1Å; H62-C66 PolarHBondContact O-SG 2.82Å; H62-C66 VanDerWaalsContact O-SG 3.34Å; C66-A68 PolarHBondContact O-N 2.82Å; C66-L69 WeakPolarHBondContact O-CB 3.47Å; C66-L69 PolarHBondContact O-N 3Å; C66-Y92 HydrophobicContact CB-CD2 3.96Å; C66-Y92 HydrophobicContact CB-CE2 4.2Å
67G96.8Very high97.4Very high0 Ų018.7 Ų18.70%010%0.095CC..THydrogen-bonded Turntrans-66-22.4-172.300000114.3C30 L63 Y112C30-G67 PolarHBondContact O-N 2.9Å; L63-G67 WeakPolarHBondContact O-CA 3.31Å; L63-G67 PolarHBondContact O-N 3.37Å; G67-Y112 WeakPolarHBondContact O-CE1 3.41Å; G67-Y112 PolarHBondContact O-OH 3.48Å
68A98.1Very high97.3Very high0 Ų019.9 Ų19.90%010%0.1CC..THydrogen-bonded Turntrans-91.2-3.9175.500000112.2C30 G31 I32 L42 P43 C66 W71 F72C30-A68 WeakPolarHBondContact O-CA 3.47Å; C30-A68 WeakPolarHBondContact O-CB 3.38Å; C30-A68 PolarHBondContact O-N 2.79Å; G31-A68 VanDerWaalsContact O-CB 3.23Å; G31-A68 WeakPolarHBondContact O-CB 3.31Å; I32-A68 HydrophobicContact CG2-CB 3.97Å; L42-A68 HydrophobicContact CD2-CB 3.56Å; P43-A68 HydrophobicContact CG-CB 4.47Å; C66-A68 PolarHBondContact O-N 2.82Å; A68-W71 WeakPolarHBondContact O-CB 3.43Å; A68-W71 PolarHBondContact O-N 3.15Å; A68-F72 PolarHBondContact O-N 3.37Å
69L98.6Very high97.2Very high0 Ų029.1 Ų29.10%014%0.135CC..Hα-helixtrans-62.1-44.2-171.5-176.163.5000114.4C30 L56 I58 C66 W71 F72 L73 M84 Y92 I124C30-L69 PolarHBondContact O-N 3.35Å; L56-L69 HydrophobicContact CD2-CD1 3.32Å; L56-L69 HydrophobicContact CG-CD1 4.27Å; I58-L69 HydrophobicContact CD1-CD1 4.19Å; I58-L69 HydrophobicContact CD1-CD2 4.34Å; I58-L69 HydrophobicContact CG1-CD1 4.41Å; I58-L69 HydrophobicContact CG1-CD2 3.89Å; C66-L69 WeakPolarHBondContact O-CB 3.47Å; C66-L69 PolarHBondContact O-N 3Å; L69-W71 VanDerWaalsContact C-N 3.3Å; L69-W71 PolarHBondContact O-N 3.31Å; L69-F72 PolarHBondContact O-N 2.82Å; L69-L73 HydrophobicContact CD1-CD1 3.77Å; L69-L73 HydrophobicContact CD1-CD2 4.28Å; L69-L73 HydrophobicContact CD1-CG 3.77Å; L69-L73 HydrophobicContact CD2-CD1 4.35Å; L69-L73 HydrophobicContact CG-CD1 3.75Å; L69-L73 HydrophobicContact CG-CG 4.14Å; L69-L73 WeakPolarHBondContact O-CB 3.39Å; L69-L73 WeakPolarHBondContact O-CG 3.29Å; L69-L73 PolarHBondContact O-N 2.86Å; L69-M84 HydrophobicContact CD2-CE 3.46Å; L69-M84 VanDerWaalsContact CD2-CE 3.46Å; L69-Y92 HydrophobicContact CB-CE2 3.96Å; L69-Y92 HydrophobicContact CD2-CD2 4.41Å; L69-Y92 HydrophobicContact CD2-CE2 3.61Å; L69-Y92 HydrophobicContact CG-CE2 4.23Å; L69-I124 HydrophobicContact CD2-CD1 3.73Å; L69-I124 HydrophobicContact CD2-CG1 4.17Å
70P98.3Very high97.1Very high0 Ų030.1 Ų30.10%015%0.145CC..Hα-helixtrans-62.3-40.5176.3-16.926.6000111.9F72 L73 E74 Y92 L96 Y112 L117P70-F72 VanDerWaalsContact C-N 3.33Å; P70-F72 PolarHBondContact O-N 2.9Å; P70-L73 PolarHBondContact O-N 2.82Å; P70-E74 WeakPolarHBondContact O-CB 3.28Å; P70-E74 WeakPolarHBondContact O-CG 3.43Å; P70-E74 PolarHBondContact O-N 3.02Å; P70-Y92 VanDerWaalsContact CD-OH 3.25Å; P70-Y92 WeakPolarHBondContact CD-OH 3.39Å; P70-Y92 WeakPolarHBondContact CG-OH 3.29Å; P70-L96 HydrophobicContact CG-CD1 3.4Å; P70-Y112 HydrophobicContact CB-CD1 3.82Å; P70-Y112 HydrophobicContact CB-CD2 3.82Å; P70-Y112 HydrophobicContact CB-CE1 4.13Å; P70-Y112 HydrophobicContact CB-CE2 4.14Å; P70-Y112 HydrophobicContact CB-CG 3.66Å; P70-Y112 HydrophobicContact CG-CD1 4.03Å; P70-Y112 HydrophobicContact CG-CD2 3.9Å; P70-Y112 HydrophobicContact CG-CE1 3.82Å; P70-Y112 HydrophobicContact CG-CE2 3.68Å; P70-Y112 HydrophobicContact CG-CG 4.09Å; P70-L117 HydrophobicContact CG-CD1 3.99Å
71W97.2Very high97.1Very high45 Ų4534.9 Ų34.917%0.1716%0.163CC..Hα-helixtrans-59-47.9175.1-171.3101.5000110.2L42 V45 A68 L69 L73 K75 T76 L111 Y112L42-W71 HydrophobicContact CD1-CD2 3.66Å; L42-W71 VanDerWaalsContact CD1-CE2 3.5Å; L42-W71 HydrophobicContact CD1-CE3 3.99Å; L42-W71 HydrophobicContact CD1-CG 4.15Å; L42-W71 HydrophobicContact CD1-CH2 4.09Å; L42-W71 HydrophobicContact CD1-CZ2 3.75Å; L42-W71 HydrophobicContact CD1-CZ3 4.2Å; L42-W71 HydrophobicContact CD2-CB 4.38Å; L42-W71 HydrophobicContact CD2-CD2 4.27Å; L42-W71 HydrophobicContact CD2-CE3 4.47Å; L42-W71 HydrophobicContact CD2-CG 4.21Å; V45-W71 HydrophobicContact CB-CZ3 4.07Å; V45-W71 HydrophobicContact CG1-CH2 4.43Å; V45-W71 HydrophobicContact CG1-CZ3 3.84Å; V45-W71 HydrophobicContact CG2-CZ3 4.09Å; A68-W71 WeakPolarHBondContact O-CB 3.43Å; A68-W71 PolarHBondContact O-N 3.15Å; L69-W71 VanDerWaalsContact C-N 3.3Å; L69-W71 PolarHBondContact O-N 3.31Å; W71-L73 PolarHBondContact O-N 3.28Å; W71-K75 HydrophobicContact CD2-CB 4.35Å; W71-K75 HydrophobicContact CG-CD 4.21Å; W71-K75 WeakPolarHBondContact O-CA 3.27Å; W71-K75 VanDerWaalsContact O-CB 3.27Å; W71-K75 WeakPolarHBondContact O-CB 3.42Å; W71-K75 PolarHBondContact O-N 2.76Å; W71-T76 HydrophobicContact CE3-CG2 4.04Å; W71-T76 HydrophobicContact CH2-CG2 4.23Å; W71-T76 HydrophobicContact CZ3-CG2 3.52Å; W71-L111 VanDerWaalsContact CD1-O 3.29Å; W71-Y112 HydrophobicContact CB-CD1 4.05Å
72F98.4Very high97.3Very high0 Ų034.8 Ų34.80%016%0.163CC..Hα-helixtrans-63.1-44.6-179.3-167.2-92.7000112.2L27 V45 C50 L56 A68 L69 P70 T76 F78L27-F72 HydrophobicContact CD2-CD2 4.37Å; L27-F72 HydrophobicContact CD2-CE1 3.87Å; L27-F72 HydrophobicContact CD2-CE2 3.69Å; L27-F72 HydrophobicContact CD2-CZ 3.41Å; L27-F72 VanDerWaalsContact CD2-CZ 3.41Å; V45-F72 HydrophobicContact CG1-CD2 3.99Å; V45-F72 HydrophobicContact CG1-CE2 3.84Å; V45-F72 HydrophobicContact CG2-CD2 4.39Å; C50-F72 HydrophobicContact CB-CZ 4.28Å; L56-F72 HydrophobicContact CD2-CD1 3.87Å; L56-F72 HydrophobicContact CD2-CE1 4.13Å; A68-F72 PolarHBondContact O-N 3.37Å; L69-F72 PolarHBondContact O-N 2.82Å; P70-F72 VanDerWaalsContact C-N 3.33Å; P70-F72 PolarHBondContact O-N 2.9Å; F72-T76 HydrophobicContact CD2-CG2 3.99Å; F72-T76 HydrophobicContact CE2-CG2 4.35Å; F72-T76 HydrophobicContact CG-CG2 4.35Å; F72-T76 WeakPolarHBondContact O-CB 3.4Å; F72-T76 WeakPolarHBondContact O-CG2 3.37Å; F72-T76 PolarHBondContact O-OG1 3.35Å; F72-F78 HydrophobicContact CD1-CB 4.26Å; F72-F78 HydrophobicContact CD1-CG 4.3Å; F72-F78 HydrophobicContact CE1-CB 3.77Å; F72-F78 HydrophobicContact CE1-CD1 4.49Å; F72-F78 AromaticContact CE1-CD2 3.71Å; F72-F78 HydrophobicContact CE1-CD2 3.71Å; F72-F78 HydrophobicContact CE1-CE2 4.42Å; F72-F78 AromaticContact CE1-CG 3.73Å; F72-F78 HydrophobicContact CE1-CG 3.73Å; F72-F78 HydrophobicContact CZ-CB 4.46Å; F72-F78 HydrophobicContact CZ-CD2 4.46Å
73L98.2Very high97.4Very high4 Ų433.3 Ų33.32%0.02116%0.156CC..Hα-helixtrans-74.1-29.2-177.2-67.7178.3000113.9L56 L69 P70 W71 F78 C82 K123 I124L56-L73 HydrophobicContact CD2-CD2 4.28Å; L69-L73 HydrophobicContact CD1-CD1 3.77Å; L69-L73 HydrophobicContact CD1-CD2 4.28Å; L69-L73 HydrophobicContact CD1-CG 3.77Å; L69-L73 HydrophobicContact CD2-CD1 4.35Å; L69-L73 HydrophobicContact CG-CD1 3.75Å; L69-L73 HydrophobicContact CG-CG 4.14Å; L69-L73 WeakPolarHBondContact O-CB 3.39Å; L69-L73 WeakPolarHBondContact O-CG 3.29Å; L69-L73 PolarHBondContact O-N 2.86Å; P70-L73 PolarHBondContact O-N 2.82Å; W71-L73 PolarHBondContact O-N 3.28Å; L73-F78 HydrophobicContact CD2-CD1 3.47Å; L73-F78 VanDerWaalsContact CD2-CD1 3.47Å; L73-F78 HydrophobicContact CD2-CE1 3.51Å; L73-C82 HydrophobicContact CD2-CB 4.31Å; L73-K123 HydrophobicContact CB-CD 4.13Å; L73-K123 HydrophobicContact CD1-CB 4.23Å; L73-K123 PolarHBondContact O-NZ 3.49Å; L73-I124 HydrophobicContact CD1-CD1 4.31Å; L73-I124 HydrophobicContact CD1-CG1 3.91Å
74E96.8Very high97.6Very high47 Ų4731 Ų3122%0.2214%0.144CC..Hα-helixtrans-101.6-28.5-175.7-63.2-54.2124.200114P70 E116 K119 K123P70-E74 WeakPolarHBondContact O-CB 3.28Å; P70-E74 WeakPolarHBondContact O-CG 3.43Å; P70-E74 PolarHBondContact O-N 3.02Å; E74-E116 HydrophobicContact CB-CB 4.45Å; E74-E116 HydrophobicContact CB-CG 4.37Å; E74-E116 HydrophobicContact CG-CB 4.05Å; E74-E116 HydrophobicContact CG-CG 4.34Å; E74-K119 HydrophobicContact CG-CB 4.36Å; E74-K123 WeakPolarHBondContact OE1-CD 3.15Å; E74-K123 VanDerWaalsContact OE1-CE 3.29Å; E74-K123 WeakPolarHBondContact OE1-CE 3.42Å; E74-K123 IonicContact OE1-NZ 3.61Å; E74-K123 PolarHBondContact OE1-NZ 2.99Å; E74-K123 IonicContact OE2-NZ 2.73Å; E74-K123 PolarHBondContact OE2-NZ 3.22Å
75K96.2Very high97.7Very high101 Ų10130.2 Ų30.244%0.43914%0.14SC..Hα-helixtrans-112.61.4-170.9-56.8-173.1176.4-178.80114.5W71 L111 E116W71-K75 HydrophobicContact CD2-CB 4.35Å; W71-K75 HydrophobicContact CG-CD 4.21Å; W71-K75 WeakPolarHBondContact O-CA 3.27Å; W71-K75 VanDerWaalsContact O-CB 3.27Å; W71-K75 WeakPolarHBondContact O-CB 3.42Å; W71-K75 PolarHBondContact O-N 2.76Å; K75-L111 PolarHBondContact NZ-O 2.79Å; K75-E116 WeakPolarHBondContact CE-OE1 3.45Å; K75-E116 IonicContact NZ-OE1 3.79Å; K75-E116 IonicContact NZ-OE2 3.76Å
76T97.3Very high97.6Very high34 Ų3433.9 Ų33.921%0.20916%0.157CC..SBendtrans-113.5173.717580.30000111.8V45 W71 F72 F78V45-T76 HydrophobicContact CG1-CG2 4.2Å; W71-T76 HydrophobicContact CE3-CG2 4.04Å; W71-T76 HydrophobicContact CH2-CG2 4.23Å; W71-T76 HydrophobicContact CZ3-CG2 3.52Å; F72-T76 HydrophobicContact CD2-CG2 3.99Å; F72-T76 HydrophobicContact CE2-CG2 4.35Å; F72-T76 HydrophobicContact CG-CG2 4.35Å; F72-T76 WeakPolarHBondContact O-CB 3.4Å; F72-T76 WeakPolarHBondContact O-CG2 3.37Å; F72-T76 PolarHBondContact O-OG1 3.35Å; T76-F78 PolarHBondContact O-N 2.84Å; T76-F78 WeakPolarHBondContact OG1-CB 3.46Å; T76-F78 PolarHBondContact OG1-N 2.87Å
77S96.8Very high97.4Very high59 Ų5934.2 Ų34.241%0.41316%0.16SC..  trans-81.213.7174.5560000114.1E51 R79E51-S77 WeakPolarHBondContact CA-O 3.49Å; E51-S77 PolarHBondContact N-OG 2.84Å; S77-R79 PolarHBondContact O-N 2.86Å
78F97.9Very high97.4Very high24 Ų2434.2 Ų34.211%0.10516%0.16CC..  trans-56127.1179.6177.1-105.7000112.8C50 I53 L56 F72 L73 T76 G80C50-F78 WeakPolarHBondContact O-CA 3.32Å; I53-F78 HydrophobicContact CB-CD2 3.88Å; I53-F78 HydrophobicContact CB-CE2 3.89Å; I53-F78 HydrophobicContact CG2-CD2 4.14Å; I53-F78 HydrophobicContact CG2-CE2 3.7Å; L56-F78 HydrophobicContact CB-CE2 4.2Å; L56-F78 HydrophobicContact CB-CZ 3.9Å; F72-F78 HydrophobicContact CD1-CB 4.26Å; F72-F78 HydrophobicContact CD1-CG 4.3Å; F72-F78 HydrophobicContact CE1-CB 3.77Å; F72-F78 HydrophobicContact CE1-CD1 4.49Å; F72-F78 AromaticContact CE1-CD2 3.71Å; F72-F78 HydrophobicContact CE1-CD2 3.71Å; F72-F78 HydrophobicContact CE1-CE2 4.42Å; F72-F78 AromaticContact CE1-CG 3.73Å; F72-F78 HydrophobicContact CE1-CG 3.73Å; F72-F78 HydrophobicContact CZ-CB 4.46Å; F72-F78 HydrophobicContact CZ-CD2 4.46Å; L73-F78 HydrophobicContact CD2-CD1 3.47Å; L73-F78 VanDerWaalsContact CD2-CD1 3.47Å; L73-F78 HydrophobicContact CD2-CE1 3.51Å; T76-F78 PolarHBondContact O-N 2.84Å; T76-F78 WeakPolarHBondContact OG1-CB 3.46Å; T76-F78 PolarHBondContact OG1-N 2.87Å; F78-G80 VanDerWaalsContact CE1-O 3.24Å; F78-G80 WeakPolarHBondContact CE1-O 3.27Å; F78-G80 VanDerWaalsContact CZ-CA 3.45Å; F78-G80 WeakPolarHBondContact CZ-O 3.29Å
79R95.2Very high97.4Very high194 Ų19436.5 Ų36.573%0.73217%0.17SC*.  trans-126.72.4177.8-65.5-179-175.4178.17.1113.6E51 S77E51-R79 IonicContact OE1-CZ 3.04Å; E51-R79 VanDerWaalsContact OE1-CZ 3.3Å; E51-R79 IonicContact OE1-NE 3.88Å; E51-R79 IonicContact OE1-NH1 3.24Å; E51-R79 PolarHBondContact OE1-NH1 3.48Å; E51-R79 IonicContact OE1-NH2 3.32Å; S77-R79 PolarHBondContact O-N 2.86Å
80G97.5Very high97.1Very high22 Ų2238.3 Ų38.323%0.22719%0.185CC..SBendtrans-73.6-170.7177.900000112.6I53 D54 F78I53-G80 VanDerWaalsContact O-CA 3.3Å; I53-G80 WeakPolarHBondContact O-CA 3.38Å; I53-G80 PolarHBondContact O-N 3.1Å; D54-G80 VanDerWaalsContact O-CA 3.27Å; D54-G80 WeakPolarHBondContact O-CA 3.34Å; F78-G80 VanDerWaalsContact CE1-O 3.24Å; F78-G80 WeakPolarHBondContact CE1-O 3.27Å; F78-G80 VanDerWaalsContact CZ-CA 3.45Å; F78-G80 WeakPolarHBondContact CZ-O 3.29Å
81R98.6Very high96.9Very high101 Ų10138.3 Ų38.338%0.38119%0.185SC..EExtended strand (participates in β ladder)trans-103.9141.9176.8-62.5176.268.81776.8110.5D54 L55 L56 F83 E125 V135D54-R81 PolarHBondContact O-N 2.96Å; L55-R81 CarbonylContact C-O 3.54Å; L55-R81 WeakPolarHBondContact CA-O 3.22Å; L55-R81 HydrophobicContact CD1-CB 4.47Å; L56-R81 PolarHBondContact N-O 2.86Å; R81-F83 HydrophobicContact CB-CD2 4.33Å; R81-F83 HydrophobicContact CB-CE2 3.63Å; R81-F83 HydrophobicContact CB-CZ 4.48Å; R81-E125 IonicContact CZ-OE1 2.95Å; R81-E125 IonicContact CZ-OE2 3.55Å; R81-E125 IonicContact NE-OE1 3.52Å; R81-E125 PolarHBondContact NE-OE1 3.18Å; R81-E125 IonicContact NE-OE2 3.37Å; R81-E125 VanDerWaalsContact NH2-CD 3.28Å; R81-E125 IonicContact NH2-OE1 3.3Å; R81-E125 PolarHBondContact NH2-OE1 3.28Å; R81-E125 VanDerWaalsContact NH2-OE1 3.14Å; R81-E125 IonicContact NH2-OE2 3.8Å; R81-E125 PolarHBondContact NH2-OE2 3.19Å; R81-V135 HydrophobicContact CG-CG1 4.39Å
82C98.8Very high96.8Very high0 Ų036.1 Ų36.10%018%0.176CC..EExtended strand (participates in β ladder)trans-112.7130.6179.7-179.10000110.1L56 L73 E125L56-C82 HydrophobicContact CB-CB 4.29Å; L56-C82 HydrophobicContact CD2-CB 4.47Å; L56-C82 CarbonylContact O-C 3.44Å; L56-C82 VanDerWaalsContact O-CA 3.27Å; L56-C82 WeakPolarHBondContact O-CA 3.44Å; L73-C82 HydrophobicContact CD2-CB 4.31Å; C82-E125 WeakPolarHBondContact O-CA 3.43Å; C82-E125 WeakPolarHBondContact O-CB 3.39Å; C82-E125 PolarHBondContact O-N 2.93Å
83F98.9Very high96.6Very high0 Ų042.1 Ų42.10%020%0.199CC..EExtended strand (participates in β ladder)trans-128.9145.2179.1-69.2-95.3000113.2L55 L56 L57 I58 R81 E125 I127 K133 V135 F140L55-F83 HydrophobicContact CD1-CD2 3.53Å; L55-F83 HydrophobicContact CD1-CE2 3.78Å; L56-F83 PolarHBondContact O-N 2.98Å; L57-F83 HydrophobicContact CD2-CB 3.83Å; L57-F83 HydrophobicContact CD2-CD2 4.48Å; I58-F83 PolarHBondContact N-O 2.79Å; R81-F83 HydrophobicContact CB-CD2 4.33Å; R81-F83 HydrophobicContact CB-CE2 3.63Å; R81-F83 HydrophobicContact CB-CZ 4.48Å; F83-E125 WeakPolarHBondContact CA-O 3.2Å; F83-E125 HydrophobicContact CD1-CB 3.59Å; F83-E125 HydrophobicContact CE1-CB 3.4Å; F83-E125 VanDerWaalsContact CE1-CB 3.4Å; F83-E125 HydrophobicContact CE1-CG 4.31Å; F83-E125 HydrophobicContact CE2-CB 4.49Å; F83-E125 HydrophobicContact CG-CB 4.21Å; F83-E125 HydrophobicContact CZ-CB 3.91Å; F83-E125 HydrophobicContact CZ-CG 4.39Å; F83-I127 HydrophobicContact CD1-CB 4.37Å; F83-K133 HydrophobicContact CD1-CD 3.94Å; F83-K133 HydrophobicContact CE1-CD 3.43Å; F83-K133 VanDerWaalsContact CE1-CD 3.43Å; F83-K133 HydrophobicContact CZ-CD 4.09Å; F83-V135 HydrophobicContact CE2-CG2 4.01Å; F83-V135 HydrophobicContact CZ-CG2 4.42Å; F83-F140 HydrophobicContact CB-CE2 4.11Å; F83-F140 HydrophobicContact CD1-CE2 4.31Å; F83-F140 HydrophobicContact CD1-CZ 4.23Å; F83-F140 HydrophobicContact CD2-CE2 4.03Å; F83-F140 AromaticContact CD2-CZ 3.57Å; F83-F140 HydrophobicContact CD2-CZ 3.57Å; F83-F140 HydrophobicContact CE1-CZ 4.35Å; F83-F140 AromaticContact CE2-CZ 3.69Å; F83-F140 HydrophobicContact CE2-CZ 3.69Å; F83-F140 AromaticContact CG-CE2 3.89Å; F83-F140 HydrophobicContact CG-CE2 3.89Å; F83-F140 AromaticContact CG-CZ 3.85Å; F83-F140 HydrophobicContact CG-CZ 3.85Å; F83-F140 HydrophobicContact CZ-CZ 4.08Å
84M98.8Very high96.2Very high0 Ų043.4 Ų43.40%021%0.205CC..EExtended strand (participates in β ladder)trans-152.717316962.3-175.665.700110.2I58 L69 T88 K89 I124 E125 V126 I127I58-M84 HydrophobicContact CB-CB 4.07Å; I58-M84 HydrophobicContact CB-CE 3.93Å; I58-M84 HydrophobicContact CG1-CE 3.85Å; I58-M84 HydrophobicContact CG2-CE 4.21Å; L69-M84 HydrophobicContact CD2-CE 3.46Å; L69-M84 VanDerWaalsContact CD2-CE 3.46Å; M84-T88 HydrophobicContact CB-CG2 3.94Å; M84-T88 HydrophobicContact CG-CG2 4.23Å; M84-T88 HydrophobicContact SD-CG2 3.81Å; M84-K89 HydrophobicContact CG-CB 3.89Å; M84-K89 WeakPolarHBondContact SD-CA 3.34Å; M84-K89 HydrophobicContact SD-CB 3.75Å; M84-K89 HydrophobicContact SD-CG 4.3Å; M84-I124 HydrophobicContact CE-CB 4.46Å; M84-I124 HydrophobicContact CE-CD1 3.77Å; M84-I124 HydrophobicContact CE-CG1 4.04Å; M84-I124 HydrophobicContact CE-CG2 3.55Å; M84-I124 HydrophobicContact CG-CG2 3.62Å; M84-I124 HydrophobicContact SD-CG2 3.66Å; M84-E125 PolarHBondContact N-O 3.3Å; M84-E125 VanDerWaalsContact N-O 3.12Å; M84-V126 CarbonylContact O-C 3.52Å; M84-V126 VanDerWaalsContact O-CA 3.23Å; M84-V126 WeakPolarHBondContact O-CA 3.15Å; M84-I127 PolarHBondContact O-N 2.82Å
85T98Very high95.9Very high3 Ų342.3 Ų42.32%0.01820%0.201CC..EExtended strand (participates in β ladder)trans-73.1160.2175.868.90000111.9A87 T88 K89 I127 F129 G150 C152T85-A87 VanDerWaalsContact C-N 3.34Å; T85-A87 PolarHBondContact O-N 2.76Å; T85-T88 PolarHBondContact O-N 3.45Å; T85-T88 WeakPolarHBondContact OG1-CB 3.29Å; T85-T88 PolarHBondContact OG1-N 2.7Å; T85-T88 PolarHBondContact OG1-OG1 3.45Å; T85-K89 PolarHBondContact O-N 2.93Å; T85-I127 WeakPolarHBondContact CA-O 3.26Å; T85-F129 HydrophobicContact CG2-CE1 4.01Å; T85-F129 HydrophobicContact CG2-CZ 4.02Å; T85-G150 WeakPolarHBondContact CB-O 3.4Å; T85-G150 VanDerWaalsContact CG2-O 3.22Å; T85-G150 WeakPolarHBondContact CG2-O 3.36Å; T85-G150 WeakPolarHBondContact OG1-CA 3.34Å; T85-G150 PolarHBondContact OG1-O 2.91Å; T85-C152 HydrophobicContact CG2-CB 3.74Å
86H95.5Very high95.8Very high77 Ų7737.5 Ų37.536%0.35618%0.18SC..Hα-helixtrans-55.2-46.5177.9-76.4-95.8000113.2K89 A90 V126 D128 F274H86-K89 PolarHBondContact O-N 3.32Å; H86-A90 PolarHBondContact O-N 3.13Å; H86-V126 WeakPolarHBondContact CE1-CG2 3.4Å; H86-V126 WeakPolarHBondContact NE2-CG2 3.18Å; H86-D128 IonicContact CD2-OD1 3.38Å; H86-D128 PolarHBondContact CD2-OD1 2.86Å; H86-D128 VanDerWaalsContact CD2-OD1 3.25Å; H86-D128 IonicContact NE2-OD1 3.79Å; H86-F274 HydrophobicContact CB-CE1 3.79Å; H86-F274 HydrophobicContact CB-CZ 4.35Å
87A94.5Very high95.5Very high8 Ų836.8 Ų36.87%0.06618%0.176CC..Hα-helixtrans-65.7-4217900000111.2T85 K89 A90 I91 L149 F274T85-A87 VanDerWaalsContact C-N 3.34Å; T85-A87 PolarHBondContact O-N 2.76Å; A87-K89 PolarHBondContact O-N 2.82Å; A87-A90 PolarHBondContact O-N 3.3Å; A87-I91 WeakPolarHBondContact O-CB 3.5Å; A87-I91 VanDerWaalsContact O-CG1 3.29Å; A87-I91 WeakPolarHBondContact O-CG1 3.42Å; A87-I91 PolarHBondContact O-N 2.9Å; A87-L149 HydrophobicContact CB-CG 4.18Å; A87-F274 HydrophobicContact CB-CB 4.24Å; A87-F274 HydrophobicContact CB-CD1 3.9Å; A87-F274 HydrophobicContact CB-CD2 3.95Å; A87-F274 HydrophobicContact CB-CE1 4.21Å; A87-F274 HydrophobicContact CB-CE2 4.26Å; A87-F274 HydrophobicContact CB-CG 3.76Å; A87-F274 HydrophobicContact CB-CZ 4.38Å
88T96.7Very high95Very high0 Ų035.2 Ų35.20%016%0.163CC..Hα-helixtrans-59.1-47.1175.1-62.70000111.2I58 F61 M84 T85 A90 I91 Y92 G150I58-T88 HydrophobicContact CG2-CG2 4.49Å; F61-T88 HydrophobicContact CB-CG2 4.14Å; M84-T88 HydrophobicContact CB-CG2 3.94Å; M84-T88 HydrophobicContact CG-CG2 4.23Å; M84-T88 HydrophobicContact SD-CG2 3.81Å; T85-T88 PolarHBondContact O-N 3.45Å; T85-T88 WeakPolarHBondContact OG1-CB 3.29Å; T85-T88 PolarHBondContact OG1-N 2.7Å; T85-T88 PolarHBondContact OG1-OG1 3.45Å; T88-A90 PolarHBondContact O-N 2.63Å; T88-I91 PolarHBondContact O-N 3.13Å; T88-Y92 WeakPolarHBondContact O-CB 3.31Å; T88-Y92 PolarHBondContact O-N 3.37Å; T88-G150 PolarHBondContact OG1-O 2.86Å
89K96.7Very high94.5Very high47 Ų4735.5 Ų35.520%0.20416%0.164CC..Hα-helixtrans-61.4-42.7177.8-172.4177-177.3176.20112.8M84 T85 H86 A87 M121 I124 V126M84-K89 HydrophobicContact CG-CB 3.89Å; M84-K89 WeakPolarHBondContact SD-CA 3.34Å; M84-K89 HydrophobicContact SD-CB 3.75Å; M84-K89 HydrophobicContact SD-CG 4.3Å; T85-K89 PolarHBondContact O-N 2.93Å; H86-K89 PolarHBondContact O-N 3.32Å; A87-K89 PolarHBondContact O-N 2.82Å; K89-M121 HydrophobicContact CD-CE 4.4Å; K89-M121 WeakPolarHBondContact CE-O 3.41Å; K89-M121 HydrophobicContact CG-CE 3.76Å; K89-M121 PolarHBondContact NZ-O 3.09Å; K89-I124 HydrophobicContact CD-CB 4.38Å; K89-I124 HydrophobicContact CD-CG2 3.82Å; K89-I124 HydrophobicContact CG-CG2 4.04Å; K89-I124 PolarHBondContact NZ-O 3.07Å; K89-V126 HydrophobicContact CB-CG1 4.02Å; K89-V126 HydrophobicContact CD-CG1 3.54Å; K89-V126 HydrophobicContact CG-CG1 4.38Å
90A93.1Very high94.2Very high38 Ų3827.7 Ų27.731%0.31414%0.136SC..Hα-helixtrans-64.1-41.4179.300000112H86 A87 T88 F274H86-A90 PolarHBondContact O-N 3.13Å; A87-A90 PolarHBondContact O-N 3.3Å; T88-A90 PolarHBondContact O-N 2.63Å; A90-F274 HydrophobicContact CB-CE2 3.66Å; A90-F274 HydrophobicContact CB-CZ 3.91Å
91I93.6Very high93.5Very high0 Ų032.4 Ų32.40%015%0.15CC..Hα-helixtrans-76.5-40-179-66.7168.5000111.8F61 A87 T88 R93 M94 I95 L149 L232 V270F61-I91 HydrophobicContact CB-CB 4.14Å; F61-I91 HydrophobicContact CB-CG2 3.81Å; F61-I91 HydrophobicContact CD1-CB 3.74Å; F61-I91 HydrophobicContact CD1-CD1 3.62Å; F61-I91 HydrophobicContact CD1-CG1 4.26Å; F61-I91 HydrophobicContact CD1-CG2 3.56Å; F61-I91 HydrophobicContact CD2-CB 4.4Å; F61-I91 HydrophobicContact CD2-CG2 3.36Å; F61-I91 HydrophobicContact CE1-CB 4.22Å; F61-I91 HydrophobicContact CE1-CD1 3.3Å; F61-I91 HydrophobicContact CE1-CG1 4.32Å; F61-I91 HydrophobicContact CE1-CG2 3.9Å; F61-I91 HydrophobicContact CE2-CG2 3.74Å; F61-I91 HydrophobicContact CG-CB 3.83Å; F61-I91 HydrophobicContact CG-CD1 4.48Å; F61-I91 HydrophobicContact CG-CG2 3.27Å; F61-I91 HydrophobicContact CZ-CD1 3.96Å; F61-I91 HydrophobicContact CZ-CG2 3.98Å; A87-I91 WeakPolarHBondContact O-CB 3.5Å; A87-I91 VanDerWaalsContact O-CG1 3.29Å; A87-I91 WeakPolarHBondContact O-CG1 3.42Å; A87-I91 PolarHBondContact O-N 2.9Å; T88-I91 PolarHBondContact O-N 3.13Å; I91-R93 VanDerWaalsContact C-N 3.27Å; I91-R93 PolarHBondContact O-N 2.88Å; I91-M94 WeakPolarHBondContact O-CA 3.26Å; I91-M94 WeakPolarHBondContact O-CB 3.38Å; I91-M94 PolarHBondContact O-N 2.86Å; I91-I95 HydrophobicContact CG2-CG1 3.63Å; I91-I95 PolarHBondContact O-N 2.82Å; I91-L149 HydrophobicContact CD1-CB 4.34Å; I91-L149 HydrophobicContact CD1-CD2 4.37Å; I91-L232 HydrophobicContact CB-CD1 4.28Å; I91-L232 HydrophobicContact CD1-CD1 4.41Å; I91-L232 HydrophobicContact CG1-CD1 4.09Å; I91-L232 HydrophobicContact CG2-CD1 3.3Å; I91-V270 HydrophobicContact CD1-CG1 3.82Å; I91-V270 HydrophobicContact CG1-CG1 3.56Å
92Y95.3Very high92.4Very high0 Ų029.7 Ų29.70%015%0.145CC..Hα-helixtrans-46-51177164.2-92.2000111.5C66 L69 P70 T88 M94 I95 L96 L117 S120 M121 I124C66-Y92 HydrophobicContact CB-CD2 3.96Å; C66-Y92 HydrophobicContact CB-CE2 4.2Å; L69-Y92 HydrophobicContact CB-CE2 3.96Å; L69-Y92 HydrophobicContact CD2-CD2 4.41Å; L69-Y92 HydrophobicContact CD2-CE2 3.61Å; L69-Y92 HydrophobicContact CG-CE2 4.23Å; P70-Y92 VanDerWaalsContact CD-OH 3.25Å; P70-Y92 WeakPolarHBondContact CD-OH 3.39Å; P70-Y92 WeakPolarHBondContact CG-OH 3.29Å; T88-Y92 WeakPolarHBondContact O-CB 3.31Å; T88-Y92 PolarHBondContact O-N 3.37Å; Y92-M94 VanDerWaalsContact C-N 3.26Å; Y92-M94 PolarHBondContact O-N 2.72Å; Y92-I95 PolarHBondContact O-N 2.88Å; Y92-L96 HydrophobicContact CD2-CD1 3.76Å; Y92-L96 HydrophobicContact CD2-CG 4.11Å; Y92-L96 HydrophobicContact CE1-CD1 4.17Å; Y92-L96 HydrophobicContact CE2-CD1 3.17Å; Y92-L96 HydrophobicContact CE2-CG 4.03Å; Y92-L96 HydrophobicContact CG-CD1 4.46Å; Y92-L96 VanDerWaalsContact CZ-CD1 3.43Å; Y92-L96 WeakPolarHBondContact O-CB 3.17Å; Y92-L96 WeakPolarHBondContact O-CG 3.41Å; Y92-L96 PolarHBondContact O-N 3.25Å; Y92-L117 HydrophobicContact CD1-CD1 4.42Å; Y92-L117 HydrophobicContact CE1-CD1 3.68Å; Y92-S120 PolarHBondContact OH-OG 3.17Å; Y92-M121 HydrophobicContact CD1-SD 3.43Å; Y92-M121 WeakPolarHBondContact CD1-SD 3.45Å; Y92-M121 HydrophobicContact CE1-SD 3.52Å; Y92-M121 VanDerWaalsContact CE1-SD 3.52Å; Y92-I124 HydrophobicContact CD1-CD1 4.11Å; Y92-I124 HydrophobicContact CE1-CD1 3.54Å
93R93.6Very high91.1Very high125 Ų12530.7 Ų30.747%0.47215%0.152SC..Hα-helixtrans-56.9-41.4178.6-171.4179.7174.5-143.8-0.3112.4I91 S97 E118 M121I91-R93 VanDerWaalsContact C-N 3.27Å; I91-R93 PolarHBondContact O-N 2.88Å; R93-S97 VanDerWaalsContact O-CB 3.24Å; R93-S97 WeakPolarHBondContact O-CB 3.36Å; R93-S97 PolarHBondContact O-N 3.23Å; R93-S97 VanDerWaalsContact O-N 3.12Å; R93-E118 IonicContact CZ-OE1 2.74Å; R93-E118 VanDerWaalsContact CZ-OE1 3.25Å; R93-E118 IonicContact CZ-OE2 2.67Å; R93-E118 IonicContact NE-OE1 3.93Å; R93-E118 PolarHBondContact NE-OE1 3.47Å; R93-E118 IonicContact NE-OE2 3.98Å; R93-E118 PolarHBondContact NE-OE2 3.07Å; R93-E118 IonicContact NH2-OE1 2.79Å; R93-E118 PolarHBondContact NH2-OE1 2.9Å; R93-E118 IonicContact NH2-OE2 3.76Å; R93-E118 PolarHBondContact NH2-OE2 3.34Å; R93-M121 HydrophobicContact CB-CE 3.81Å; R93-M121 HydrophobicContact CB-SD 3.78Å; R93-M121 HydrophobicContact CG-CE 4.33Å; R93-M121 HydrophobicContact CG-CG 4.42Å; R93-M121 HydrophobicContact CG-SD 4.17Å
94M91Very high89.6Confident32 Ų3236.4 Ų36.416%0.15818%0.182CC..Hα-helixtrans-72.4-48.1-177.7-67.4175.739.100112.1I91 Y92 S97 D98 L263 K266 V270I91-M94 WeakPolarHBondContact O-CA 3.26Å; I91-M94 WeakPolarHBondContact O-CB 3.38Å; I91-M94 PolarHBondContact O-N 2.86Å; Y92-M94 VanDerWaalsContact C-N 3.26Å; Y92-M94 PolarHBondContact O-N 2.72Å; M94-S97 PolarHBondContact O-N 3.06Å; M94-D98 PolarHBondContact O-N 3.16Å; M94-L263 HydrophobicContact CB-CD2 4.42Å; M94-L263 HydrophobicContact CE-CD2 4.47Å; M94-K266 HydrophobicContact CE-CB 3.4Å; M94-K266 HydrophobicContact SD-CB 4.22Å; M94-V270 HydrophobicContact CE-CG2 4.23Å; M94-V270 HydrophobicContact SD-CG2 3.6Å; M94-V270 VanDerWaalsContact SD-CG2 3.6Å
95I91.1Very high88.1Confident24 Ų2438 Ų3812%0.12319%0.191CC..Hα-helixtrans-64-42.5-178.8-69.3-68.6000110.5F61 L63 I91 Y92 D98 Y99 A231 L232 L263F61-I95 HydrophobicContact CD2-CG1 4.18Å; L63-I95 HydrophobicContact CD2-CG2 3.78Å; L63-I95 HydrophobicContact CG-CG2 4.16Å; I91-I95 HydrophobicContact CG2-CG1 3.63Å; I91-I95 PolarHBondContact O-N 2.82Å; Y92-I95 PolarHBondContact O-N 2.88Å; I95-D98 PolarHBondContact O-N 2.75Å; I95-Y99 WeakPolarHBondContact O-CB 3.18Å; I95-Y99 PolarHBondContact O-N 3.45Å; I95-A231 HydrophobicContact CD1-CB 4.43Å; I95-L232 HydrophobicContact CD1-CD1 4.12Å; I95-L232 HydrophobicContact CG1-CD1 4.27Å; I95-L263 HydrophobicContact CD1-CD1 3.94Å
96L92.9Very high86.6Confident0 Ų040 Ų400%021%0.211CC..Hα-helixtrans-73.1-33.8179.5-62.3-159.8000112.9L63 P70 Y92 D98 Y99 I100 Y112 L117L63-L96 HydrophobicContact CD2-CD2 3.31Å; P70-L96 HydrophobicContact CG-CD1 3.4Å; Y92-L96 HydrophobicContact CD2-CD1 3.76Å; Y92-L96 HydrophobicContact CD2-CG 4.11Å; Y92-L96 HydrophobicContact CE1-CD1 4.17Å; Y92-L96 HydrophobicContact CE2-CD1 3.17Å; Y92-L96 HydrophobicContact CE2-CG 4.03Å; Y92-L96 HydrophobicContact CG-CD1 4.46Å; Y92-L96 VanDerWaalsContact CZ-CD1 3.43Å; Y92-L96 WeakPolarHBondContact O-CB 3.17Å; Y92-L96 WeakPolarHBondContact O-CG 3.41Å; Y92-L96 PolarHBondContact O-N 3.25Å; L96-D98 VanDerWaalsContact C-N 3.28Å; L96-D98 PolarHBondContact O-N 3.48Å; L96-Y99 PolarHBondContact O-N 2.9Å; L96-I100 WeakPolarHBondContact O-CD1 3.46Å; L96-I100 VanDerWaalsContact O-CG1 3.24Å; L96-I100 WeakPolarHBondContact O-CG1 3.44Å; L96-I100 PolarHBondContact O-N 3.24Å; L96-Y112 HydrophobicContact CD1-CE2 4.48Å; L96-L117 HydrophobicContact CB-CD1 3.65Å; L96-L117 HydrophobicContact CB-CD2 3.76Å; L96-L117 HydrophobicContact CB-CG 4.36Å; L96-L117 HydrophobicContact CD1-CD1 3.77Å; L96-L117 HydrophobicContact CG-CD1 4.25Å
97S90.9Very high85.4Confident18 Ų1840.7 Ų40.713%0.12623%0.231CC..Hα-helixtrans-63.6-37172.3-1770000111.4R93 M94 K101 E114R93-S97 VanDerWaalsContact O-CB 3.24Å; R93-S97 WeakPolarHBondContact O-CB 3.36Å; R93-S97 PolarHBondContact O-N 3.23Å; R93-S97 VanDerWaalsContact O-N 3.12Å; M94-S97 PolarHBondContact O-N 3.06Å; S97-K101 WeakPolarHBondContact O-CD 3.46Å; S97-K101 WeakPolarHBondContact O-CG 3.4Å; S97-K101 PolarHBondContact O-N 2.96Å; S97-K101 PolarHBondContact OG-NZ 3.16Å; S97-E114 PolarHBondContact OG-OE1 2.93Å
98D87.1Confident84.3Confident27 Ų2748 Ų4814%0.14427%0.269CS..Hα-helixtrans-71.9-41.2175.3-16768.4000112.2M94 I95 L96 I100 K101 V102 S262 L263M94-D98 PolarHBondContact O-N 3.16Å; I95-D98 PolarHBondContact O-N 2.75Å; L96-D98 VanDerWaalsContact C-N 3.28Å; L96-D98 PolarHBondContact O-N 3.48Å; D98-I100 VanDerWaalsContact C-N 3.31Å; D98-I100 PolarHBondContact O-N 3.42Å; D98-K101 PolarHBondContact O-N 3.47Å; D98-V102 WeakPolarHBondContact O-CB 3.33Å; D98-V102 WeakPolarHBondContact O-CG2 3.31Å; D98-V102 PolarHBondContact O-N 3Å; D98-V102 WeakPolarHBondContact OD1-CG2 3.35Å; D98-S262 PolarHBondContact OD1-OG 3.34Å; D98-L263 HydrophobicContact CB-CD1 3.53Å; D98-L263 HydrophobicContact CB-CD2 4.09Å; D98-L263 HydrophobicContact CB-CG 3.82Å
99Y87.7Confident83.6Confident30 Ų3053.2 Ų53.212%0.11829%0.293CS..Hα-helixtrans-54.2-46.7172.6173.2-104.6000111.8I32 L63 I95 L96 K101 S103 I105 M110I32-Y99 HydrophobicContact CD1-CD2 4.34Å; I32-Y99 HydrophobicContact CD1-CE1 4.19Å; I32-Y99 HydrophobicContact CD1-CE2 3.64Å; L63-Y99 HydrophobicContact CD1-CD2 3.79Å; L63-Y99 HydrophobicContact CD1-CE2 4.43Å; L63-Y99 HydrophobicContact CD1-CG 4.38Å; L63-Y99 HydrophobicContact CD2-CD2 4.46Å; L63-Y99 HydrophobicContact CD2-CG 4.31Å; I95-Y99 WeakPolarHBondContact O-CB 3.18Å; I95-Y99 PolarHBondContact O-N 3.45Å; L96-Y99 PolarHBondContact O-N 2.9Å; Y99-K101 PolarHBondContact O-N 3.35Å; Y99-S103 WeakPolarHBondContact O-CB 3.37Å; Y99-S103 PolarHBondContact O-N 2.83Å; Y99-S103 VanDerWaalsContact O-N 3.09Å; Y99-S103 PolarHBondContact O-OG 2.93Å; Y99-I105 HydrophobicContact CE2-CD1 4.47Å; Y99-M110 HydrophobicContact CE1-SD 4.43Å
100I88.4Confident83.3Confident30 Ų3053 Ų5315%0.15429%0.293CS..Hα-helixtrans-59.9-35.4176.7-65.2162.2000111.7L96 D98 M110 Y112 E114 L117L96-I100 WeakPolarHBondContact O-CD1 3.46Å; L96-I100 VanDerWaalsContact O-CG1 3.24Å; L96-I100 WeakPolarHBondContact O-CG1 3.44Å; L96-I100 PolarHBondContact O-N 3.24Å; D98-I100 VanDerWaalsContact C-N 3.31Å; D98-I100 PolarHBondContact O-N 3.42Å; I100-M110 HydrophobicContact CB-CE 4.41Å; I100-M110 HydrophobicContact CG1-SD 4.37Å; I100-M110 HydrophobicContact CG2-CE 4.14Å; I100-M110 WeakPolarHBondContact O-CE 3.48Å; I100-Y112 HydrophobicContact CD1-CD2 3.84Å; I100-Y112 HydrophobicContact CD1-CE2 3.76Å; I100-Y112 HydrophobicContact CG1-CD2 4.12Å; I100-Y112 HydrophobicContact CG1-CE2 3.82Å; I100-E114 HydrophobicContact CD1-CB 4.41Å; I100-L117 HydrophobicContact CD1-CB 4.22Å; I100-L117 HydrophobicContact CD1-CD2 4.01Å
101K82.3Confident83.2Confident120 Ų12051.5 Ų51.552%0.52228%0.28SS..Hα-helixtrans-86.5-39.1-174.1-73.4168.1-178.1149.60114.1S97 D98 Y99 E114S97-K101 WeakPolarHBondContact O-CD 3.46Å; S97-K101 WeakPolarHBondContact O-CG 3.4Å; S97-K101 PolarHBondContact O-N 2.96Å; S97-K101 PolarHBondContact OG-NZ 3.16Å; D98-K101 PolarHBondContact O-N 3.47Å; Y99-K101 PolarHBondContact O-N 3.35Å; K101-E114 IonicContact NZ-OE1 2.78Å; K101-E114 PolarHBondContact NZ-OE1 3.27Å; K101-E114 IonicContact NZ-OE2 3.54Å
102V75.3Confident83.2Confident45 Ų4551.6 Ų51.627%0.27328%0.28SS..Hα-helixtrans-95-18.7-170.8178.30000111.9D98 N104D98-V102 WeakPolarHBondContact O-CB 3.33Å; D98-V102 WeakPolarHBondContact O-CG2 3.31Å; D98-V102 PolarHBondContact O-N 3Å; D98-V102 WeakPolarHBondContact OD1-CG2 3.35Å; V102-N104 PolarHBondContact O-N 3.43Å
103S72.6Confident83.2Confident20 Ų2054 Ų5414%0.1430%0.297CS..  trans-64.5123.7175.177.20000109.7Y99 I105 M110Y99-S103 WeakPolarHBondContact O-CB 3.37Å; Y99-S103 PolarHBondContact O-N 2.83Å; Y99-S103 VanDerWaalsContact O-N 3.09Å; Y99-S103 PolarHBondContact O-OG 2.93Å; S103-I105 PolarHBondContact O-N 3.02Å; S103-I105 VanDerWaalsContact O-N 3.09Å; S103-M110 WeakPolarHBondContact OG-CE 3.3Å
104N67.3Low83.1Confident120 Ų12052 Ų5264%0.64229%0.293SS*.  trans-77.821169.6-74-12.4000111.4V102 G106V102-N104 PolarHBondContact O-N 3.43Å; N104-G106 PolarHBondContact O-N 3.41Å
105I66.5Low83.4Confident34 Ų3455.1 Ų55.117%0.17431%0.31CS..  trans-73.5124.7179.8-65.1175.1000106T37 Y99 S103 H109T37-I105 HydrophobicContact CG2-CD1 4.1Å; T37-I105 HydrophobicContact CG2-CG1 4.14Å; Y99-I105 HydrophobicContact CE2-CD1 4.47Å; S103-I105 PolarHBondContact O-N 3.02Å; S103-I105 VanDerWaalsContact O-N 3.09Å; I105-H109 VanDerWaalsContact CG2-C 3.49Å; I105-H109 HydrophobicContact CG2-CB 3.17Å
106G67Low83.7Confident44 Ų4455.8 Ų55.845%0.45431%0.313SS..  trans-52.6149.2176.600000110.8N104 D108 H109 M110N104-G106 PolarHBondContact O-N 3.41Å; G106-D108 PolarHBondContact O-N 3.4Å; G106-H109 PolarHBondContact O-N 3.49Å; G106-M110 PolarHBondContact O-N 2.78Å
107A70Confident83.9Confident92 Ų9255.8 Ų55.876%0.7631%0.313SS*.G310 helixtrans-51.1-33.5-174.500000113.2H109 M110A107-H109 VanDerWaalsContact C-N 3.29Å; A107-H109 PolarHBondContact O-N 3.45Å; A107-M110 PolarHBondContact O-N 3.14Å
108D71.9Confident84.2Confident163 Ų16358 Ų5887%0.87232%0.321SS*.G310 helixtrans-68.7-22.6179-60.4-30000114.2G106G106-D108 PolarHBondContact O-N 3.4Å
109H80.7Confident84.7Confident108 Ų10861.5 Ų61.550%0.534%0.335SS..G310 helixtrans-100.5-1.5179.3-67.5-75.4000112.4G38 I105 G106 A107 L111G38-H109 VanDerWaalsContact CA-O 3.28Å; G38-H109 WeakPolarHBondContact CA-O 3.35Å; I105-H109 VanDerWaalsContact CG2-C 3.49Å; I105-H109 HydrophobicContact CG2-CB 3.17Å; G106-H109 PolarHBondContact O-N 3.49Å; A107-H109 VanDerWaalsContact C-N 3.29Å; A107-H109 PolarHBondContact O-N 3.45Å; H109-L111 PolarHBondContact O-N 3.36Å
110M90Very high85.2Confident44 Ų4460 Ų6022%0.21733%0.329CS..  trans-70.2122.7175.7-173.863.777.800109.9Y99 I100 S103 G106 A107 Y112Y99-M110 HydrophobicContact CE1-SD 4.43Å; I100-M110 HydrophobicContact CB-CE 4.41Å; I100-M110 HydrophobicContact CG1-SD 4.37Å; I100-M110 HydrophobicContact CG2-CE 4.14Å; I100-M110 WeakPolarHBondContact O-CE 3.48Å; S103-M110 WeakPolarHBondContact OG-CE 3.3Å; G106-M110 PolarHBondContact O-N 2.78Å; A107-M110 PolarHBondContact O-N 3.14Å; M110-Y112 VanDerWaalsContact CG-O 3.3Å; M110-Y112 WeakPolarHBondContact CG-O 3.19Å; M110-Y112 PolarHBondContact O-N 2.87Å
111L92.1Very high85.6Confident5 Ų559.7 Ų59.73%0.02633%0.327CS..  trans-65.9-37.9-175-70.5173.7000112.6I32 G38 L42 W71 K75 H109I32-L111 HydrophobicContact CG2-CD1 3.64Å; G38-L111 WeakPolarHBondContact O-CD2 3.44Å; L42-L111 HydrophobicContact CD1-CD2 3.94Å; L42-L111 HydrophobicContact CD2-CD1 3.75Å; L42-L111 HydrophobicContact CD2-CD2 3.9Å; L42-L111 HydrophobicContact CD2-CG 4.43Å; L42-L111 HydrophobicContact CG-CD1 4.37Å; L42-L111 HydrophobicContact CG-CD2 3.83Å; W71-L111 VanDerWaalsContact CD1-O 3.29Å; K75-L111 PolarHBondContact NZ-O 2.79Å; H109-L111 PolarHBondContact O-N 3.36Å
112Y94.4Very high86.3Confident3 Ų361 Ų611%0.01234%0.34CS..  trans-155.6155-177.447.5-95.3000111.3G67 P70 W71 L96 I100 M110 E116G67-Y112 WeakPolarHBondContact O-CE1 3.41Å; G67-Y112 PolarHBondContact O-OH 3.48Å; P70-Y112 HydrophobicContact CB-CD1 3.82Å; P70-Y112 HydrophobicContact CB-CD2 3.82Å; P70-Y112 HydrophobicContact CB-CE1 4.13Å; P70-Y112 HydrophobicContact CB-CE2 4.14Å; P70-Y112 HydrophobicContact CB-CG 3.66Å; P70-Y112 HydrophobicContact CG-CD1 4.03Å; P70-Y112 HydrophobicContact CG-CD2 3.9Å; P70-Y112 HydrophobicContact CG-CE1 3.82Å; P70-Y112 HydrophobicContact CG-CE2 3.68Å; P70-Y112 HydrophobicContact CG-CG 4.09Å; W71-Y112 HydrophobicContact CB-CD1 4.05Å; L96-Y112 HydrophobicContact CD1-CE2 4.48Å; I100-Y112 HydrophobicContact CD1-CD2 3.84Å; I100-Y112 HydrophobicContact CD1-CE2 3.76Å; I100-Y112 HydrophobicContact CG1-CD2 4.12Å; I100-Y112 HydrophobicContact CG1-CE2 3.82Å; M110-Y112 VanDerWaalsContact CG-O 3.3Å; M110-Y112 WeakPolarHBondContact CG-O 3.19Å; M110-Y112 PolarHBondContact O-N 2.87Å; Y112-E116 VanDerWaalsContact CA-OE2 3.31Å; Y112-E116 WeakPolarHBondContact CA-OE2 3.49Å
113S93.8Very high87.4Confident50 Ų5063.2 Ų63.235%0.3535%0.346SS..  trans-83.4164.4175.861.80000112.2N115 E116 L117S113-N115 PolarHBondContact O-N 3.16Å; S113-E116 WeakPolarHBondContact CB-OE2 3.27Å; S113-E116 PolarHBondContact N-OE2 3.3Å; S113-E116 PolarHBondContact O-N 2.92Å; S113-E116 VanDerWaalsContact O-N 3.14Å; S113-E116 WeakPolarHBondContact OG-CG 3.43Å; S113-E116 PolarHBondContact OG-N 2.97Å; S113-E116 PolarHBondContact OG-OE2 3.44Å; S113-L117 PolarHBondContact O-N 2.78Å
114E92.9Very high88.6Confident82 Ų8262.5 Ų62.538%0.38334%0.34SS..Hα-helixtrans-61-31.6173.8-168.2161.9-144.200111.6S97 I100 K101 L117 E118S97-E114 PolarHBondContact OG-OE1 2.93Å; I100-E114 HydrophobicContact CD1-CB 4.41Å; K101-E114 IonicContact NZ-OE1 2.78Å; K101-E114 PolarHBondContact NZ-OE1 3.27Å; K101-E114 IonicContact NZ-OE2 3.54Å; E114-L117 WeakPolarHBondContact O-CB 3.41Å; E114-L117 PolarHBondContact O-N 3.13Å; E114-E118 WeakPolarHBondContact O-CG 3.25Å; E114-E118 PolarHBondContact O-N 2.97Å
115N96Very high90.1Very high98 Ų9859.7 Ų59.752%0.52432%0.324SS..Hα-helixtrans-67-39.6174.2179.967000112.9S113 E118 K119S113-N115 PolarHBondContact O-N 3.16Å; N115-E118 PolarHBondContact O-N 2.83Å; N115-K119 WeakPolarHBondContact O-CG 3.18Å; N115-K119 PolarHBondContact O-N 2.92Å
116E97Very high91.7Very high39 Ų3960 Ų6018%0.18233%0.327CS..Hα-helixtrans-68.8-35.7175-73.8163.8132.600111.6E74 K75 Y112 S113 K119 S120E74-E116 HydrophobicContact CB-CB 4.45Å; E74-E116 HydrophobicContact CB-CG 4.37Å; E74-E116 HydrophobicContact CG-CB 4.05Å; E74-E116 HydrophobicContact CG-CG 4.34Å; K75-E116 WeakPolarHBondContact CE-OE1 3.45Å; K75-E116 IonicContact NZ-OE1 3.79Å; K75-E116 IonicContact NZ-OE2 3.76Å; Y112-E116 VanDerWaalsContact CA-OE2 3.31Å; Y112-E116 WeakPolarHBondContact CA-OE2 3.49Å; S113-E116 WeakPolarHBondContact CB-OE2 3.27Å; S113-E116 PolarHBondContact N-OE2 3.3Å; S113-E116 PolarHBondContact O-N 2.92Å; S113-E116 VanDerWaalsContact O-N 3.14Å; S113-E116 WeakPolarHBondContact OG-CG 3.43Å; S113-E116 PolarHBondContact OG-N 2.97Å; S113-E116 PolarHBondContact OG-OE2 3.44Å; E116-K119 PolarHBondContact O-N 3.33Å; E116-S120 WeakPolarHBondContact O-CB 3.45Å; E116-S120 PolarHBondContact O-N 3.16Å
117L97.2Very high93.2Very high0 Ų057.9 Ų57.90%031%0.305CS..Hα-helixtrans-58.7-48.8170.3173.261.2000111.4P70 Y92 L96 I100 S113 E114 K119 S120 M121P70-L117 HydrophobicContact CG-CD1 3.99Å; Y92-L117 HydrophobicContact CD1-CD1 4.42Å; Y92-L117 HydrophobicContact CE1-CD1 3.68Å; L96-L117 HydrophobicContact CB-CD1 3.65Å; L96-L117 HydrophobicContact CB-CD2 3.76Å; L96-L117 HydrophobicContact CB-CG 4.36Å; L96-L117 HydrophobicContact CD1-CD1 3.77Å; L96-L117 HydrophobicContact CG-CD1 4.25Å; I100-L117 HydrophobicContact CD1-CB 4.22Å; I100-L117 HydrophobicContact CD1-CD2 4.01Å; S113-L117 PolarHBondContact O-N 2.78Å; E114-L117 WeakPolarHBondContact O-CB 3.41Å; E114-L117 PolarHBondContact O-N 3.13Å; L117-K119 PolarHBondContact O-N 3.24Å; L117-S120 WeakPolarHBondContact O-CB 3.41Å; L117-S120 PolarHBondContact O-N 3.07Å; L117-S120 PolarHBondContact O-OG 3.37Å; L117-M121 PolarHBondContact O-N 3.47Å
118E97.5Very high94.4Very high63 Ų6357.8 Ų57.829%0.29429%0.292SS..Hα-helixtrans-62.8-41.7178.7-66.5-62.5159.400111.8R93 E114 N115 S120 M121R93-E118 IonicContact CZ-OE1 2.74Å; R93-E118 VanDerWaalsContact CZ-OE1 3.25Å; R93-E118 IonicContact CZ-OE2 2.67Å; R93-E118 IonicContact NE-OE1 3.93Å; R93-E118 PolarHBondContact NE-OE1 3.47Å; R93-E118 IonicContact NE-OE2 3.98Å; R93-E118 PolarHBondContact NE-OE2 3.07Å; R93-E118 IonicContact NH2-OE1 2.79Å; R93-E118 PolarHBondContact NH2-OE1 2.9Å; R93-E118 IonicContact NH2-OE2 3.76Å; R93-E118 PolarHBondContact NH2-OE2 3.34Å; E114-E118 WeakPolarHBondContact O-CG 3.25Å; E114-E118 PolarHBondContact O-N 2.97Å; N115-E118 PolarHBondContact O-N 2.83Å; E118-S120 VanDerWaalsContact C-N 3.29Å; E118-S120 PolarHBondContact O-N 3.36Å; E118-M121 VanDerWaalsContact O-CB 3.25Å; E118-M121 WeakPolarHBondContact O-CB 3.35Å; E118-M121 PolarHBondContact O-N 3.04Å; E118-M121 VanDerWaalsContact O-N 3.07Å
119K98.1Very high95.6Very high101 Ų10152.9 Ų52.944%0.43926%0.263SS..Hα-helixtrans-60.7-37.5173.5-71.6177.4179.5-177.90113E74 N115 E116 L117 M121 D122E74-K119 HydrophobicContact CG-CB 4.36Å; N115-K119 WeakPolarHBondContact O-CG 3.18Å; N115-K119 PolarHBondContact O-N 2.92Å; E116-K119 PolarHBondContact O-N 3.33Å; L117-K119 PolarHBondContact O-N 3.24Å; K119-M121 PolarHBondContact O-N 2.78Å; K119-D122 PolarHBondContact O-N 3.16Å
120S97.8Very high96.3Very high0 Ų054.3 Ų54.30%026%0.264CS..Hα-helixtrans-61.7-32176.583.90000111.9Y92 E116 L117 E118 D122 K123 I124Y92-S120 PolarHBondContact OH-OG 3.17Å; E116-S120 WeakPolarHBondContact O-CB 3.45Å; E116-S120 PolarHBondContact O-N 3.16Å; L117-S120 WeakPolarHBondContact O-CB 3.41Å; L117-S120 PolarHBondContact O-N 3.07Å; L117-S120 PolarHBondContact O-OG 3.37Å; E118-S120 VanDerWaalsContact C-N 3.29Å; E118-S120 PolarHBondContact O-N 3.36Å; S120-D122 VanDerWaalsContact C-N 3.27Å; S120-D122 PolarHBondContact O-N 3.45Å; S120-K123 PolarHBondContact O-N 2.86Å; S120-I124 WeakPolarHBondContact O-CD1 3.46Å; S120-I124 VanDerWaalsContact O-CG1 3.26Å; S120-I124 WeakPolarHBondContact O-CG1 3.32Å; S120-I124 PolarHBondContact O-N 3.05Å
121M97.8Very high96.7Very high23 Ų2355.6 Ų55.611%0.11327%0.269CS..Hα-helixtrans-62-34.3178.9-64.5-62.4-64.900112.8K89 Y92 R93 L117 E118 K119 K123 I124K89-M121 HydrophobicContact CD-CE 4.4Å; K89-M121 WeakPolarHBondContact CE-O 3.41Å; K89-M121 HydrophobicContact CG-CE 3.76Å; K89-M121 PolarHBondContact NZ-O 3.09Å; Y92-M121 HydrophobicContact CD1-SD 3.43Å; Y92-M121 WeakPolarHBondContact CD1-SD 3.45Å; Y92-M121 HydrophobicContact CE1-SD 3.52Å; Y92-M121 VanDerWaalsContact CE1-SD 3.52Å; R93-M121 HydrophobicContact CB-CE 3.81Å; R93-M121 HydrophobicContact CB-SD 3.78Å; R93-M121 HydrophobicContact CG-CE 4.33Å; R93-M121 HydrophobicContact CG-CG 4.42Å; R93-M121 HydrophobicContact CG-SD 4.17Å; L117-M121 PolarHBondContact O-N 3.47Å; E118-M121 VanDerWaalsContact O-CB 3.25Å; E118-M121 WeakPolarHBondContact O-CB 3.35Å; E118-M121 PolarHBondContact O-N 3.04Å; E118-M121 VanDerWaalsContact O-N 3.07Å; K119-M121 PolarHBondContact O-N 2.78Å; M121-K123 VanDerWaalsContact C-N 3.31Å; M121-I124 PolarHBondContact O-N 3.22Å
122D96.8Very high97Very high146 Ų14660.9 Ų60.978%0.78129%0.294SS*.Hα-helixtrans-73.3-25.6-179.6-66.2-26.7000112.2K119 S120K119-D122 PolarHBondContact O-N 3.16Å; S120-D122 VanDerWaalsContact C-N 3.27Å; S120-D122 PolarHBondContact O-N 3.45Å
123K97.8Very high97.2Very high93 Ų9362.9 Ų62.940%0.40430%0.303SS..Hα-helixtrans-87.7-11.5178.7-67174.51771680113.7L73 E74 S120 M121L73-K123 HydrophobicContact CB-CD 4.13Å; L73-K123 HydrophobicContact CD1-CB 4.23Å; L73-K123 PolarHBondContact O-NZ 3.49Å; E74-K123 WeakPolarHBondContact OE1-CD 3.15Å; E74-K123 VanDerWaalsContact OE1-CE 3.29Å; E74-K123 WeakPolarHBondContact OE1-CE 3.42Å; E74-K123 IonicContact OE1-NZ 3.61Å; E74-K123 PolarHBondContact OE1-NZ 2.99Å; E74-K123 IonicContact OE2-NZ 2.73Å; E74-K123 PolarHBondContact OE2-NZ 3.22Å; S120-K123 PolarHBondContact O-N 2.86Å; M121-K123 VanDerWaalsContact C-N 3.31Å
124I98.7Very high97.4Very high4 Ų464.3 Ų64.32%0.02130%0.304CS..EExtended strand (participates in β ladder)trans-91.8125.1-178.9-67.2161.3000109.6L69 L73 M84 K89 Y92 S120 M121L69-I124 HydrophobicContact CD2-CD1 3.73Å; L69-I124 HydrophobicContact CD2-CG1 4.17Å; L73-I124 HydrophobicContact CD1-CD1 4.31Å; L73-I124 HydrophobicContact CD1-CG1 3.91Å; M84-I124 HydrophobicContact CE-CB 4.46Å; M84-I124 HydrophobicContact CE-CD1 3.77Å; M84-I124 HydrophobicContact CE-CG1 4.04Å; M84-I124 HydrophobicContact CE-CG2 3.55Å; M84-I124 HydrophobicContact CG-CG2 3.62Å; M84-I124 HydrophobicContact SD-CG2 3.66Å; K89-I124 HydrophobicContact CD-CB 4.38Å; K89-I124 HydrophobicContact CD-CG2 3.82Å; K89-I124 HydrophobicContact CG-CG2 4.04Å; K89-I124 PolarHBondContact NZ-O 3.07Å; Y92-I124 HydrophobicContact CD1-CD1 4.11Å; Y92-I124 HydrophobicContact CE1-CD1 3.54Å; S120-I124 WeakPolarHBondContact O-CD1 3.46Å; S120-I124 VanDerWaalsContact O-CG1 3.26Å; S120-I124 WeakPolarHBondContact O-CG1 3.32Å; S120-I124 PolarHBondContact O-N 3.05Å; M121-I124 PolarHBondContact O-N 3.22Å
125E98.7Very high97.6Very high62 Ų6260.7 Ų60.729%0.2929%0.287SS..EExtended strand (participates in β ladder)trans-99158.4172.1-60.5-175.4-107.500111R81 C82 F83 M84R81-E125 IonicContact CZ-OE1 2.95Å; R81-E125 IonicContact CZ-OE2 3.55Å; R81-E125 IonicContact NE-OE1 3.52Å; R81-E125 PolarHBondContact NE-OE1 3.18Å; R81-E125 IonicContact NE-OE2 3.37Å; R81-E125 VanDerWaalsContact NH2-CD 3.28Å; R81-E125 IonicContact NH2-OE1 3.3Å; R81-E125 PolarHBondContact NH2-OE1 3.28Å; R81-E125 VanDerWaalsContact NH2-OE1 3.14Å; R81-E125 IonicContact NH2-OE2 3.8Å; R81-E125 PolarHBondContact NH2-OE2 3.19Å; C82-E125 WeakPolarHBondContact O-CA 3.43Å; C82-E125 WeakPolarHBondContact O-CB 3.39Å; C82-E125 PolarHBondContact O-N 2.93Å; F83-E125 WeakPolarHBondContact CA-O 3.2Å; F83-E125 HydrophobicContact CD1-CB 3.59Å; F83-E125 HydrophobicContact CE1-CB 3.4Å; F83-E125 VanDerWaalsContact CE1-CB 3.4Å; F83-E125 HydrophobicContact CE1-CG 4.31Å; F83-E125 HydrophobicContact CE2-CB 4.49Å; F83-E125 HydrophobicContact CG-CB 4.21Å; F83-E125 HydrophobicContact CZ-CB 3.91Å; F83-E125 HydrophobicContact CZ-CG 4.39Å; M84-E125 PolarHBondContact N-O 3.3Å; M84-E125 VanDerWaalsContact N-O 3.12Å
126V98.5Very high97.4Very high39 Ų3960.2 Ų60.224%0.23629%0.285CS..EExtended strand (participates in β ladder)trans-108.6149.1-178.4-680000111M84 H86 K89 K133M84-V126 CarbonylContact O-C 3.52Å; M84-V126 VanDerWaalsContact O-CA 3.23Å; M84-V126 WeakPolarHBondContact O-CA 3.15Å; H86-V126 WeakPolarHBondContact CE1-CG2 3.4Å; H86-V126 WeakPolarHBondContact NE2-CG2 3.18Å; K89-V126 HydrophobicContact CB-CG1 4.02Å; K89-V126 HydrophobicContact CD-CG1 3.54Å; K89-V126 HydrophobicContact CG-CG1 4.38Å; V126-K133 PolarHBondContact O-NZ 3.09Å
127I98.5Very high97.1Very high0 Ų058.6 Ų58.60%028%0.278CS..EExtended strand (participates in β ladder)trans-133.8139.5173.5-172.5169.1000109.7F83 M84 T85 E131 K133 F140 F154F83-I127 HydrophobicContact CD1-CB 4.37Å; M84-I127 PolarHBondContact O-N 2.82Å; T85-I127 WeakPolarHBondContact CA-O 3.26Å; I127-E131 WeakPolarHBondContact CD1-O 3.5Å; I127-E131 HydrophobicContact CG1-CB 4.07Å; I127-K133 HydrophobicContact CB-CD 4.34Å; I127-K133 HydrophobicContact CD1-CB 4.29Å; I127-K133 HydrophobicContact CD1-CD 4.03Å; I127-K133 HydrophobicContact CD1-CG 3.87Å; I127-K133 HydrophobicContact CG1-CD 4.1Å; I127-K133 HydrophobicContact CG1-CG 4.26Å; I127-F140 HydrophobicContact CD1-CD2 3.87Å; I127-F140 HydrophobicContact CD1-CE2 3.66Å; I127-F154 HydrophobicContact CG2-CE1 4.26Å
128D97.1Very high97.2Very high91 Ų9158.6 Ų58.649%0.48728%0.278SS..  trans-84.2153172.8-79.4-43.1000111.6H86 R130 E131H86-D128 IonicContact CD2-OD1 3.38Å; H86-D128 PolarHBondContact CD2-OD1 2.86Å; H86-D128 VanDerWaalsContact CD2-OD1 3.25Å; H86-D128 IonicContact NE2-OD1 3.79Å; D128-R130 PolarHBondContact O-N 3.48Å; D128-E131 HydrophobicContact CB-CB 4.03Å; D128-E131 PolarHBondContact N-OE2 2.84Å; D128-E131 VanDerWaalsContact O-CB 3.24Å; D128-E131 WeakPolarHBondContact O-CB 3.17Å; D128-E131 PolarHBondContact O-N 3.29Å
129F96.3Very high97.2Very high60 Ų6057.8 Ų57.826%0.26327%0.274SS..BIsolated β-bridgetrans-58.8129.8175.5-67.1-71.1000110.6T85 E131 V144 C152T85-F129 HydrophobicContact CG2-CE1 4.01Å; T85-F129 HydrophobicContact CG2-CZ 4.02Å; F129-E131 PolarHBondContact O-N 2.91Å; F129-V144 HydrophobicContact CD1-CG2 3.76Å; F129-V144 HydrophobicContact CD2-CG2 4.11Å; F129-V144 HydrophobicContact CE1-CB 4.25Å; F129-V144 HydrophobicContact CE1-CG2 3.78Å; F129-V144 HydrophobicContact CE2-CG2 4.14Å; F129-V144 HydrophobicContact CG-CG2 3.91Å; F129-V144 HydrophobicContact CZ-CG2 3.97Å; F129-C152 HydrophobicContact CD1-CB 4.28Å; F129-C152 HydrophobicContact CE1-CB 3.57Å; F129-C152 HydrophobicContact CZ-CB 4.45Å
130R95.9Very high97.2Very high138 Ų13853 Ų5352%0.52125%0.253SS..THydrogen-bonded Turntrans67.93.6-178.1-48.5162.4-176.676.81114.5D128 C142 D181D128-R130 PolarHBondContact O-N 3.48Å; R130-C142 PolarHBondContact N-O 3.26Å; R130-D181 IonicContact CZ-OD1 2.68Å; R130-D181 IonicContact CZ-OD2 2.69Å; R130-D181 IonicContact NH1-OD2 3.14Å; R130-D181 IonicContact NH2-OD1 3.8Å; R130-D181 PolarHBondContact NH2-OD1 3.09Å; R130-D181 IonicContact NH2-OD2 3.32Å; R130-D181 PolarHBondContact NH2-OD2 2.93Å
131E97.5Very high97.3Very high71 Ų7153.9 Ų53.933%0.33226%0.257SS..  trans-69.4129.4167.4-172.9-166.5175.500109I127 D128 F129 K133 W141I127-E131 WeakPolarHBondContact CD1-O 3.5Å; I127-E131 HydrophobicContact CG1-CB 4.07Å; D128-E131 HydrophobicContact CB-CB 4.03Å; D128-E131 PolarHBondContact N-OE2 2.84Å; D128-E131 VanDerWaalsContact O-CB 3.24Å; D128-E131 WeakPolarHBondContact O-CB 3.17Å; D128-E131 PolarHBondContact O-N 3.29Å; F129-E131 PolarHBondContact O-N 2.91Å; E131-K133 WeakPolarHBondContact OE1-CE 3.43Å; E131-K133 IonicContact OE1-NZ 3.89Å; E131-K133 VanDerWaalsContact OE2-CE 3.24Å; E131-K133 WeakPolarHBondContact OE2-CE 3.21Å; E131-K133 IonicContact OE2-NZ 3.78Å; E131-W141 WeakPolarHBondContact O-CA 3.35Å; E131-W141 WeakPolarHBondContact O-CB 3.36Å
132Q98.3Very high97.3Very high115 Ų11552.8 Ų52.854%0.53725%0.251SS..  trans-94.5122.9175.4-168.2-168.8-82.300110.4W141Q132-W141 HydrophobicContact CG-CE3 4.16Å
133K98.5Very high97.4Very high45 Ų4546.8 Ų46.820%0.19622%0.218CC..EExtended strand (participates in β ladder)trans-111.8159.2171.5-65.8-164.2175.3-166.30111.2F83 V126 I127 E131 K139 F140F83-K133 HydrophobicContact CD1-CD 3.94Å; F83-K133 HydrophobicContact CE1-CD 3.43Å; F83-K133 VanDerWaalsContact CE1-CD 3.43Å; F83-K133 HydrophobicContact CZ-CD 4.09Å; V126-K133 PolarHBondContact O-NZ 3.09Å; I127-K133 HydrophobicContact CB-CD 4.34Å; I127-K133 HydrophobicContact CD1-CB 4.29Å; I127-K133 HydrophobicContact CD1-CD 4.03Å; I127-K133 HydrophobicContact CD1-CG 3.87Å; I127-K133 HydrophobicContact CG1-CD 4.1Å; I127-K133 HydrophobicContact CG1-CG 4.26Å; E131-K133 WeakPolarHBondContact OE1-CE 3.43Å; E131-K133 IonicContact OE1-NZ 3.89Å; E131-K133 VanDerWaalsContact OE2-CE 3.24Å; E131-K133 WeakPolarHBondContact OE2-CE 3.21Å; E131-K133 IonicContact OE2-NZ 3.78Å; K133-K139 CarbonylContact O-C 3.5Å; K133-K139 WeakPolarHBondContact O-CA 2.96Å; K133-F140 HydrophobicContact CB-CD1 4.35Å; K133-F140 HydrophobicContact CB-CE1 3.73Å; K133-F140 HydrophobicContact CB-CE2 3.98Å; K133-F140 HydrophobicContact CB-CZ 3.52Å; K133-F140 HydrophobicContact CD-CZ 4.35Å; K133-F140 HydrophobicContact CG-CZ 4.44Å; K133-F140 PolarHBondContact N-O 2.76Å; K133-F140 PolarHBondContact O-N 3.19Å
134E98Very high97.3Very high80 Ų8043.2 Ų43.237%0.37420%0.204SC..EExtended strand (participates in β ladder)trans-134.3129.9173.7-171175.8150.300110.7G137 I138 K139 N478E134-G137 WeakPolarHBondContact OE1-CA 3.32Å; E134-I138 CarbonylContact C-O 3.47Å; E134-I138 VanDerWaalsContact CA-O 3.25Å; E134-I138 WeakPolarHBondContact CA-O 3.5Å; E134-K139 HydrophobicContact CB-CG 4.28Å; E134-K139 HydrophobicContact CG-CG 4.03Å; E134-K139 WeakPolarHBondContact OE2-CE 3.03Å; E134-N478 PolarHBondContact OE1-ND2 3.48Å
135V96.8Very high97.3Very high6 Ų643 Ų434%0.03620%0.203CC..EExtended strand (participates in β ladder)trans-131.5120.7174.8175.10000108.4L55 R81 F83 G137 I138 F140L55-V135 HydrophobicContact CD1-CB 4.32Å; L55-V135 HydrophobicContact CD1-CG2 4.16Å; R81-V135 HydrophobicContact CG-CG1 4.39Å; F83-V135 HydrophobicContact CE2-CG2 4.01Å; F83-V135 HydrophobicContact CZ-CG2 4.42Å; V135-G137 PolarHBondContact O-N 3.09Å; V135-I138 PolarHBondContact N-O 3.35Å; V135-I138 VanDerWaalsContact O-CB 3.24Å; V135-I138 WeakPolarHBondContact O-CB 3.47Å; V135-I138 PolarHBondContact O-N 3.23Å; V135-F140 HydrophobicContact CB-CE1 4.42Å; V135-F140 HydrophobicContact CG2-CE1 3.94Å; V135-F140 HydrophobicContact CG2-CZ 4.44Å
136N92.4Very high97.1Very high88 Ų8840.2 Ų40.247%0.47119%0.19SC..THydrogen-bonded Turntrans51.530.8177.1-64-10.2000114.9K24 D54K24-N136 HydrophobicContact CD-CB 4.47Å; K24-N136 WeakPolarHBondContact CD-O 2.94Å; K24-N136 WeakPolarHBondContact CE-O 3.49Å; K24-N136 PolarHBondContact NZ-O 2.94Å; D54-N136 PolarHBondContact OD1-ND2 3.02Å
137G91.8Very high96.9Very high5 Ų538.6 Ų38.65%0.05218%0.18CC..THydrogen-bonded Turntrans87.51-177.300000115.5E134 V135 N478 F479E134-G137 WeakPolarHBondContact OE1-CA 3.32Å; V135-G137 PolarHBondContact O-N 3.09Å; G137-N478 VanDerWaalsContact CA-ND2 3.33Å; G137-N478 WeakPolarHBondContact CA-ND2 3.43Å; G137-N478 PolarHBondContact N-ND2 3.23Å; G137-F479 WeakPolarHBondContact O-CD2 3.42Å
138I97.7Very high96.8Very high0 Ų038.8 Ų38.80%018%0.181CC..EExtended strand (participates in β ladder)trans-89.4112.7171.1-56.5153.6000107.3K24 I26 D54 L55 E134 V135 F140 I156 I158K24-I138 HydrophobicContact CB-CD1 4.01Å; K24-I138 HydrophobicContact CB-CG1 3.91Å; K24-I138 HydrophobicContact CD-CD1 4.34Å; K24-I138 HydrophobicContact CD-CG1 4.26Å; K24-I138 HydrophobicContact CG-CD1 4.43Å; K24-I138 HydrophobicContact CG-CG1 4.04Å; I26-I138 HydrophobicContact CD1-CB 4.43Å; I26-I138 HydrophobicContact CD1-CD1 4.08Å; I26-I138 HydrophobicContact CD1-CG1 4.16Å; I26-I138 HydrophobicContact CD1-CG2 3.43Å; I26-I138 VanDerWaalsContact CD1-CG2 3.43Å; I26-I138 HydrophobicContact CG1-CD1 3.83Å; I26-I138 HydrophobicContact CG1-CG1 4.43Å; I26-I138 HydrophobicContact CG1-CG2 4.3Å; D54-I138 HydrophobicContact CB-CD1 3.64Å; L55-I138 HydrophobicContact CB-CD1 4.21Å; L55-I138 HydrophobicContact CD2-CG2 3.83Å; E134-I138 CarbonylContact C-O 3.47Å; E134-I138 VanDerWaalsContact CA-O 3.25Å; E134-I138 WeakPolarHBondContact CA-O 3.5Å; V135-I138 PolarHBondContact N-O 3.35Å; V135-I138 VanDerWaalsContact O-CB 3.24Å; V135-I138 WeakPolarHBondContact O-CB 3.47Å; V135-I138 PolarHBondContact O-N 3.23Å; I138-F140 HydrophobicContact CG2-CD1 4.5Å; I138-I156 HydrophobicContact CG2-CG2 3.97Å; I138-I158 HydrophobicContact CB-CG1 4.5Å; I138-I158 HydrophobicContact CG1-CD1 4.37Å; I138-I158 HydrophobicContact CG1-CG1 4.23Å; I138-I158 HydrophobicContact CG2-CG1 4.17Å
139K98.5Very high96.5Very high46 Ų4634.5 Ų34.520%0.216%0.159CC..EExtended strand (participates in β ladder)trans-88.3139.7169.9-67.8177.2-174.9172.60108.9K133 E134 E157K133-K139 CarbonylContact O-C 3.5Å; K133-K139 WeakPolarHBondContact O-CA 2.96Å; E134-K139 HydrophobicContact CB-CG 4.28Å; E134-K139 HydrophobicContact CG-CG 4.03Å; E134-K139 WeakPolarHBondContact OE2-CE 3.03Å; K139-E157 HydrophobicContact CB-CB 4.16Å; K139-E157 PolarHBondContact N-O 3.01Å; K139-E157 PolarHBondContact O-N 3Å
140F98.6Very high96.5Very high0 Ų032 Ų320%015%0.149CC..EExtended strand (participates in β ladder)trans-152.2153.7175.764.6-79.3000111.5L55 L57 F83 I127 K133 V135 I138 F154 M155 I156L55-F140 HydrophobicContact CD1-CE1 3.84Å; L55-F140 HydrophobicContact CD1-CZ 3.87Å; L55-F140 HydrophobicContact CD2-CD1 3.55Å; L55-F140 HydrophobicContact CD2-CE1 3.69Å; L55-F140 HydrophobicContact CD2-CG 4.03Å; L55-F140 HydrophobicContact CD2-CZ 4.27Å; L55-F140 HydrophobicContact CG-CE1 4.45Å; L57-F140 HydrophobicContact CD1-CB 4.49Å; L57-F140 HydrophobicContact CD1-CD2 4.35Å; L57-F140 HydrophobicContact CD1-CG 4.49Å; L57-F140 HydrophobicContact CD2-CD2 3.8Å; L57-F140 HydrophobicContact CD2-CE2 3.72Å; L57-F140 HydrophobicContact CD2-CG 4.47Å; L57-F140 HydrophobicContact CD2-CZ 4.35Å; F83-F140 HydrophobicContact CB-CE2 4.11Å; F83-F140 HydrophobicContact CD1-CE2 4.31Å; F83-F140 HydrophobicContact CD1-CZ 4.23Å; F83-F140 HydrophobicContact CD2-CE2 4.03Å; F83-F140 AromaticContact CD2-CZ 3.57Å; F83-F140 HydrophobicContact CD2-CZ 3.57Å; F83-F140 HydrophobicContact CE1-CZ 4.35Å; F83-F140 AromaticContact CE2-CZ 3.69Å; F83-F140 HydrophobicContact CE2-CZ 3.69Å; F83-F140 AromaticContact CG-CE2 3.89Å; F83-F140 HydrophobicContact CG-CE2 3.89Å; F83-F140 AromaticContact CG-CZ 3.85Å; F83-F140 HydrophobicContact CG-CZ 3.85Å; F83-F140 HydrophobicContact CZ-CZ 4.08Å; I127-F140 HydrophobicContact CD1-CD2 3.87Å; I127-F140 HydrophobicContact CD1-CE2 3.66Å; K133-F140 HydrophobicContact CB-CD1 4.35Å; K133-F140 HydrophobicContact CB-CE1 3.73Å; K133-F140 HydrophobicContact CB-CE2 3.98Å; K133-F140 HydrophobicContact CB-CZ 3.52Å; K133-F140 HydrophobicContact CD-CZ 4.35Å; K133-F140 HydrophobicContact CG-CZ 4.44Å; K133-F140 PolarHBondContact N-O 2.76Å; K133-F140 PolarHBondContact O-N 3.19Å; V135-F140 HydrophobicContact CB-CE1 4.42Å; V135-F140 HydrophobicContact CG2-CE1 3.94Å; V135-F140 HydrophobicContact CG2-CZ 4.44Å; I138-F140 HydrophobicContact CG2-CD1 4.5Å; F140-F154 HydrophobicContact CD2-CD1 4.46Å; F140-F154 HydrophobicContact CD2-CE1 4.5Å; F140-M155 WeakPolarHBondContact CA-O 3.33Å; F140-M155 WeakPolarHBondContact CB-O 3.38Å; F140-I156 HydrophobicContact CB-CG1 4.38Å
141W98.6Very high96.5Very high20 Ų2025.5 Ų25.58%0.07613%0.125CC..EExtended strand (participates in β ladder)trans-151.9168.4172.960.899.3000108.4E131 Q132 Y143 M155 E157 K162 I185E131-W141 WeakPolarHBondContact O-CA 3.35Å; E131-W141 WeakPolarHBondContact O-CB 3.36Å; Q132-W141 HydrophobicContact CG-CE3 4.16Å; W141-Y143 AromaticContact CD1-CE2 3.7Å; W141-Y143 AromaticContact CD1-CZ 3.75Å; W141-Y143 AromaticContact NE1-CE2 3.26Å; W141-Y143 VanDerWaalsContact NE1-CE2 3.26Å; W141-Y143 AromaticContact NE1-CZ 3.2Å; W141-Y143 PolarHBondContact NE1-OH 2.7Å; W141-M155 HydrophobicContact CD2-CB 3.89Å; W141-M155 HydrophobicContact CD2-CG 4.12Å; W141-M155 VanDerWaalsContact CE2-CB 3.5Å; W141-M155 VanDerWaalsContact CE2-CG 3.45Å; W141-M155 HydrophobicContact CE3-CB 4.46Å; W141-M155 HydrophobicContact CE3-CG 4.41Å; W141-M155 HydrophobicContact CG-CB 4.3Å; W141-M155 HydrophobicContact CH2-CB 4.36Å; W141-M155 HydrophobicContact CH2-CG 3.52Å; W141-M155 HydrophobicContact CZ2-CB 3.81Å; W141-M155 HydrophobicContact CZ2-CG 3.16Å; W141-M155 HydrophobicContact CZ3-CG 4.14Å; W141-M155 PolarHBondContact N-O 3Å; W141-M155 PolarHBondContact O-N 2.81Å; W141-E157 HydrophobicContact CZ3-CB 4.24Å; W141-K162 HydrophobicContact CH2-CD 4.49Å; W141-I185 HydrophobicContact CH2-CD1 4.5Å; W141-I185 HydrophobicContact CZ2-CD1 3.72Å
142C98.6Very high96.6Very high0 Ų022.1 Ų22.10%011%0.109CC..EExtended strand (participates in β ladder)trans-128.6151.2179.869.30000113.5R130 C152 M153 F154R130-C142 PolarHBondContact N-O 3.26Å; C142-C152 HydrophobicContact CB-CB 3.78Å; C142-M153 CarbonylContact C-O 3.52Å; C142-M153 VanDerWaalsContact CA-O 3.22Å; C142-M153 WeakPolarHBondContact CA-O 3.49Å; C142-F154 HydrophobicContact CB-CD1 3.71Å; C142-F154 HydrophobicContact CB-CE1 3.76Å; C142-F154 HydrophobicContact CB-CG 4.4Å; C142-F154 HydrophobicContact CB-CZ 4.48Å
143Y98.1Very high96.6Very high19 Ų1916.6 Ų16.68%0.0758%0.084CC..EExtended strand (participates in β ladder)trans-112157.8175.9-66.4-76.8000109.6W141 A145 C152 M153 M155 L164 D181 P183W141-Y143 AromaticContact CD1-CE2 3.7Å; W141-Y143 AromaticContact CD1-CZ 3.75Å; W141-Y143 AromaticContact NE1-CE2 3.26Å; W141-Y143 VanDerWaalsContact NE1-CE2 3.26Å; W141-Y143 AromaticContact NE1-CZ 3.2Å; W141-Y143 PolarHBondContact NE1-OH 2.7Å; Y143-A145 PolarHBondContact O-N 3.12Å; Y143-C152 CarbonylContact O-C 3.52Å; Y143-C152 WeakPolarHBondContact O-CA 3.19Å; Y143-C152 VanDerWaalsContact O-CB 3.31Å; Y143-C152 WeakPolarHBondContact O-CB 3.24Å; Y143-M153 PolarHBondContact N-O 3.44Å; Y143-M153 PolarHBondContact O-N 3.36Å; Y143-M155 HydrophobicContact CD2-CB 4.46Å; Y143-M155 HydrophobicContact CE2-CB 3.91Å; Y143-M155 HydrophobicContact CE2-CE 4.28Å; Y143-L164 HydrophobicContact CD2-CD1 4.34Å; Y143-D181 HydrophobicContact CD1-CB 4.15Å; Y143-D181 HydrophobicContact CG-CB 4.41Å; Y143-P183 HydrophobicContact CD2-CB 4.42Å; Y143-P183 HydrophobicContact CD2-CG 3.83Å; Y143-P183 HydrophobicContact CE1-CB 4.44Å; Y143-P183 HydrophobicContact CE2-CB 3.88Å; Y143-P183 HydrophobicContact CE2-CG 3.78Å; Y143-P183 HydrophobicContact CG-CG 4.22Å
144V97.3Very high96.6Very high19 Ų1914.5 Ų14.512%0.1157%0.074CC..EExtended strand (participates in β ladder)trans-66.2133175.1178.90000109.9F129 M153 A180 D181F129-V144 HydrophobicContact CD1-CG2 3.76Å; F129-V144 HydrophobicContact CD2-CG2 4.11Å; F129-V144 HydrophobicContact CE1-CB 4.25Å; F129-V144 HydrophobicContact CE1-CG2 3.78Å; F129-V144 HydrophobicContact CE2-CG2 4.14Å; F129-V144 HydrophobicContact CG-CG2 3.91Å; F129-V144 HydrophobicContact CZ-CG2 3.97Å; V144-M153 WeakPolarHBondContact O-CE 3.28Å; V144-A180 CarbonylContact O-C 3.41Å; V144-A180 WeakPolarHBondContact O-CA 3.37Å; V144-D181 WeakPolarHBondContact CB-OD2 3.39Å; V144-D181 PolarHBondContact N-OD2 3.5Å; V144-D181 PolarHBondContact O-N 3.32Å
145A97.8Very high96.6Very high0 Ų010.7 Ų10.70%06%0.057CC..  trans-96-17.2178.200000114Y143 H147 A151 M153 D168 F169 S170 A180Y143-A145 PolarHBondContact O-N 3.12Å; A145-H147 PolarHBondContact O-N 2.89Å; A145-A151 HydrophobicContact CB-CB 3.94Å; A145-A151 PolarHBondContact N-O 2.94Å; A145-M153 HydrophobicContact CB-CG 3.84Å; A145-D168 WeakPolarHBondContact CB-O 3.35Å; A145-F169 HydrophobicContact CB-CB 3.92Å; A145-F169 CarbonylContact O-C 3.54Å; A145-F169 WeakPolarHBondContact O-CA 3.46Å; A145-F169 VanDerWaalsContact O-CB 3.29Å; A145-F169 WeakPolarHBondContact O-CB 3.4Å; A145-S170 PolarHBondContact O-N 3.32Å; A145-A180 VanDerWaalsContact O-CB 3.3Å; A145-A180 WeakPolarHBondContact O-CB 3.38Å
146G94.8Very high96.7Very high3 Ų310.5 Ų10.53%0.0316%0.055CC..SBendtrans68.410.2178.600000115.7C178G146-C178 WeakPolarHBondContact CA-O 3.34Å
147H94.9Very high97Very high5 Ų58 Ų82%0.0234%0.041CC..SBendtrans-85.5-57.8-177.617868.8000113.1H60 H62 A145 A151 D168 L177 R234 A384 H385H60-H147 AromaticContact CD2-CD2 3.68Å; H60-H147 AromaticContact NE2-CD2 3.6Å; H60-H147 AromaticContact NE2-NE2 3.64Å; H62-H147 AromaticContact CE1-CD2 3.79Å; H62-H147 AromaticContact CE1-CE1 3.9Å; H62-H147 AromaticContact CE1-NE2 2.97Å; H62-H147 PolarHBondContact CE1-NE2 3.17Å; H62-H147 AromaticContact ND1-CD2 3.87Å; H62-H147 AromaticContact ND1-NE2 3.07Å; H62-H147 PolarHBondContact ND1-NE2 3.12Å; A145-H147 PolarHBondContact O-N 2.89Å; H147-A151 HydrophobicContact CB-CB 3.95Å; H147-D168 HydrophobicContact CB-CB 4.25Å; H147-D168 VanDerWaalsContact CB-O 3.24Å; H147-D168 WeakPolarHBondContact CB-O 3.41Å; H147-D168 VanDerWaalsContact CD2-CB 3.48Å; H147-D168 WeakPolarHBondContact CD2-CB 3.37Å; H147-D168 IonicContact CE1-OD2 3.45Å; H147-D168 IonicContact NE2-OD2 3.53Å; H147-L177 WeakPolarHBondContact O-CD1 3.32Å; H147-R234 PolarHBondContact O-NH2 3.37Å; H147-A384 PolarHBondContact ND1-O 2.63Å; H147-H385 AromaticContact CE1-CD2 3.72Å; H147-H385 AromaticContact CE1-CE1 3.8Å; H147-H385 AromaticContact CE1-NE2 3.41Å; H147-H385 PolarHBondContact CE1-NE2 3.39Å
148V94.5Very high97.1Very high4 Ų47.8 Ų7.82%0.0244%0.038CC..SBendtrans-138169.5171.7-65.80000110.6H60 F61 H62 G150 A151H60-V148 HydrophobicContact CB-CG2 3.87Å; F61-V148 HydrophobicContact CD1-CG2 3.99Å; F61-V148 HydrophobicContact CE1-CB 3.77Å; F61-V148 HydrophobicContact CE1-CG2 3.41Å; F61-V148 VanDerWaalsContact CE1-CG2 3.41Å; F61-V148 HydrophobicContact CE2-CG2 4.3Å; F61-V148 HydrophobicContact CZ-CB 3.62Å; F61-V148 HydrophobicContact CZ-CG1 4.12Å; F61-V148 HydrophobicContact CZ-CG2 3.6Å; H62-V148 WeakPolarHBondContact NE2-CG1 3.23Å; V148-G150 PolarHBondContact O-N 3.18Å; V148-G150 VanDerWaalsContact O-N 3.11Å; V148-A151 HydrophobicContact CG2-CB 3.82Å; V148-A151 WeakPolarHBondContact O-CB 3.41Å; V148-A151 PolarHBondContact O-N 3.09Å
149L92.6Very high96.7Very high1 Ų19.8 Ų9.81%0.0056%0.055CC..THydrogen-bonded Turntrans-58.8115.3179.8-17463000111.4F61 A87 I91 L177 V270 Y271 F274 M278F61-L149 WeakPolarHBondContact CE1-O 3.44Å; A87-L149 HydrophobicContact CB-CG 4.18Å; I91-L149 HydrophobicContact CD1-CB 4.34Å; I91-L149 HydrophobicContact CD1-CD2 4.37Å; L149-L177 HydrophobicContact CB-CD2 4.42Å; L149-L177 HydrophobicContact CD1-CD2 4.4Å; L149-V270 HydrophobicContact CD2-CG1 4.24Å; L149-Y271 HydrophobicContact CB-CE1 4.25Å; L149-Y271 HydrophobicContact CD2-CD1 3.76Å; L149-Y271 HydrophobicContact CD2-CE1 3.92Å; L149-Y271 HydrophobicContact CD2-CG 4.23Å; L149-F274 HydrophobicContact CD1-CB 4.19Å; L149-F274 HydrophobicContact CD2-CB 3.98Å; L149-F274 HydrophobicContact CG-CB 4.25Å; L149-M278 HydrophobicContact CD1-CG 3.97Å
150G94.6Very high96.2Very high7 Ų79.6 Ų9.67%0.0727%0.066CC..THydrogen-bonded Turntrans88.2-4-176.500000115.2T85 T88 V148 C152T85-G150 WeakPolarHBondContact CB-O 3.4Å; T85-G150 VanDerWaalsContact CG2-O 3.22Å; T85-G150 WeakPolarHBondContact CG2-O 3.36Å; T85-G150 WeakPolarHBondContact OG1-CA 3.34Å; T85-G150 PolarHBondContact OG1-O 2.91Å; T88-G150 PolarHBondContact OG1-O 2.86Å; V148-G150 PolarHBondContact O-N 3.18Å; V148-G150 VanDerWaalsContact O-N 3.11Å; G150-C152 PolarHBondContact O-N 3.06Å
151A97.3Very high96Very high1 Ų110.2 Ų10.21%0.0087%0.07CC..  trans-60.5136.3175.900000111T59 H60 A145 H147 V148T59-A151 WeakPolarHBondContact O-CA 3.23Å; H60-A151 HydrophobicContact CB-CB 3.73Å; A145-A151 HydrophobicContact CB-CB 3.94Å; A145-A151 PolarHBondContact N-O 2.94Å; H147-A151 HydrophobicContact CB-CB 3.95Å; V148-A151 HydrophobicContact CG2-CB 3.82Å; V148-A151 WeakPolarHBondContact O-CB 3.41Å; V148-A151 PolarHBondContact O-N 3.09Å
152C98.5Very high95.9Very high0 Ų011.2 Ų11.20%08%0.075CC..EExtended strand (participates in β ladder)trans-140.1148.5-17375.70000113.8T59 T85 F129 C142 Y143 G150 F154T59-C152 WeakPolarHBondContact CB-O 3.26Å; T59-C152 PolarHBondContact O-N 3.17Å; T59-C152 PolarHBondContact O-SG 3.21Å; T85-C152 HydrophobicContact CG2-CB 3.74Å; F129-C152 HydrophobicContact CD1-CB 4.28Å; F129-C152 HydrophobicContact CE1-CB 3.57Å; F129-C152 HydrophobicContact CZ-CB 4.45Å; C142-C152 HydrophobicContact CB-CB 3.78Å; Y143-C152 CarbonylContact O-C 3.52Å; Y143-C152 WeakPolarHBondContact O-CA 3.19Å; Y143-C152 VanDerWaalsContact O-CB 3.31Å; Y143-C152 WeakPolarHBondContact O-CB 3.24Å; G150-C152 PolarHBondContact O-N 3.06Å; C152-F154 WeakPolarHBondContact SG-CE2 3.26Å; C152-F154 VanDerWaalsContact SG-CZ 3.52Å
153M98.8Very high95.9Very high0 Ų011.2 Ų11.20%08%0.075CC..EExtended strand (participates in β ladder)trans-98.7124.6170.3-51.6-176.3-7000108.4C142 Y143 V144 A145 L164 Y165 T166 F169 A180 D181 F394C142-M153 CarbonylContact C-O 3.52Å; C142-M153 VanDerWaalsContact CA-O 3.22Å; C142-M153 WeakPolarHBondContact CA-O 3.49Å; Y143-M153 PolarHBondContact N-O 3.44Å; Y143-M153 PolarHBondContact O-N 3.36Å; V144-M153 WeakPolarHBondContact O-CE 3.28Å; A145-M153 HydrophobicContact CB-CG 3.84Å; M153-L164 HydrophobicContact CB-CD1 4.03Å; M153-Y165 CarbonylContact C-O 3.22Å; M153-Y165 VanDerWaalsContact CA-O 3.23Å; M153-Y165 WeakPolarHBondContact CA-O 3.5Å; M153-T166 WeakPolarHBondContact CG-O 3.29Å; M153-T166 HydrophobicContact SD-CG2 4.09Å; M153-F169 HydrophobicContact SD-CB 4.3Å; M153-F169 HydrophobicContact SD-CD2 3.94Å; M153-F169 HydrophobicContact SD-CG 4.33Å; M153-A180 HydrophobicContact CE-CB 4.16Å; M153-A180 HydrophobicContact SD-CB 4.45Å; M153-D181 HydrophobicContact CE-CB 4.47Å; M153-D181 VanDerWaalsContact CE-O 3.32Å; M153-D181 WeakPolarHBondContact CE-O 3.5Å; M153-F394 HydrophobicContact CE-CZ 4.17Å; M153-F394 HydrophobicContact SD-CE1 4.48Å; M153-F394 HydrophobicContact SD-CZ 3.85Å
154F98.8Very high95.9Very high0 Ų010.3 Ų10.30%07%0.072CC..EExtended strand (participates in β ladder)trans-90126-179.7-76.5-74.1000111.9L57 I58 T59 I127 F140 C142 C152 I156 L164 Y165L57-F154 HydrophobicContact CB-CD1 4.42Å; L57-F154 HydrophobicContact CB-CD2 3.83Å; L57-F154 HydrophobicContact CB-CE1 4.35Å; L57-F154 HydrophobicContact CB-CE2 3.73Å; L57-F154 HydrophobicContact CB-CG 4.17Å; L57-F154 HydrophobicContact CB-CZ 4.01Å; L57-F154 HydrophobicContact CD1-CB 4.15Å; L57-F154 HydrophobicContact CD1-CD1 3.91Å; L57-F154 HydrophobicContact CD1-CD2 4.39Å; L57-F154 HydrophobicContact CD1-CE1 4.41Å; L57-F154 HydrophobicContact CD1-CG 3.9Å; L57-F154 HydrophobicContact CD2-CD1 4.35Å; L57-F154 HydrophobicContact CD2-CE1 4.04Å; L57-F154 HydrophobicContact CD2-CZ 4.29Å; L57-F154 HydrophobicContact CG-CD1 4.46Å; I58-F154 WeakPolarHBondContact O-CE2 3.47Å; T59-F154 HydrophobicContact CG2-CD2 3.98Å; T59-F154 HydrophobicContact CG2-CE2 4.23Å; I127-F154 HydrophobicContact CG2-CE1 4.26Å; F140-F154 HydrophobicContact CD2-CD1 4.46Å; F140-F154 HydrophobicContact CD2-CE1 4.5Å; C142-F154 HydrophobicContact CB-CD1 3.71Å; C142-F154 HydrophobicContact CB-CE1 3.76Å; C142-F154 HydrophobicContact CB-CG 4.4Å; C142-F154 HydrophobicContact CB-CZ 4.48Å; C152-F154 WeakPolarHBondContact SG-CE2 3.26Å; C152-F154 VanDerWaalsContact SG-CZ 3.52Å; F154-I156 HydrophobicContact CB-CG1 4.4Å; F154-L164 WeakPolarHBondContact O-CA 3.29Å; F154-Y165 PolarHBondContact N-O 3.11Å; F154-Y165 PolarHBondContact O-N 3.48Å
155M98.7Very high96Very high0 Ų09.6 Ų9.60%07%0.067CC..EExtended strand (participates in β ladder)trans-96127.2163.7-17567.17800108.8F140 W141 Y143 K162 V163 L164 P183 I185 P187F140-M155 WeakPolarHBondContact CA-O 3.33Å; F140-M155 WeakPolarHBondContact CB-O 3.38Å; W141-M155 HydrophobicContact CD2-CB 3.89Å; W141-M155 HydrophobicContact CD2-CG 4.12Å; W141-M155 VanDerWaalsContact CE2-CB 3.5Å; W141-M155 VanDerWaalsContact CE2-CG 3.45Å; W141-M155 HydrophobicContact CE3-CB 4.46Å; W141-M155 HydrophobicContact CE3-CG 4.41Å; W141-M155 HydrophobicContact CG-CB 4.3Å; W141-M155 HydrophobicContact CH2-CB 4.36Å; W141-M155 HydrophobicContact CH2-CG 3.52Å; W141-M155 HydrophobicContact CZ2-CB 3.81Å; W141-M155 HydrophobicContact CZ2-CG 3.16Å; W141-M155 HydrophobicContact CZ3-CG 4.14Å; W141-M155 PolarHBondContact N-O 3Å; W141-M155 PolarHBondContact O-N 2.81Å; Y143-M155 HydrophobicContact CD2-CB 4.46Å; Y143-M155 HydrophobicContact CE2-CB 3.91Å; Y143-M155 HydrophobicContact CE2-CE 4.28Å; M155-K162 HydrophobicContact SD-CB 3.94Å; M155-V163 WeakPolarHBondContact CA-O 3.48Å; M155-L164 HydrophobicContact CB-CD1 4.37Å; M155-L164 HydrophobicContact CE-CB 4.02Å; M155-L164 HydrophobicContact CE-CD1 4.14Å; M155-L164 HydrophobicContact CE-CG 4.47Å; M155-L164 HydrophobicContact SD-CB 4.15Å; M155-P183 HydrophobicContact CE-CB 4.37Å; M155-I185 HydrophobicContact CE-CB 4.44Å; M155-I185 HydrophobicContact CE-CG2 4.41Å; M155-P187 HydrophobicContact CE-CB 4.33Å; M155-P187 HydrophobicContact SD-CB 4.41Å
156I98.7Very high96Very high2 Ų29.6 Ų9.61%0.017%0.067CC..EExtended strand (participates in β ladder)trans-123.5128.2-174.6-60.9162.2000107.9L19 I26 L28 L57 I138 F140 F154 I158 K162 V163L19-I156 HydrophobicContact CD2-CD1 4.37Å; L19-I156 HydrophobicContact CD2-CG2 4.38Å; I26-I156 HydrophobicContact CD1-CG2 3.41Å; I26-I156 VanDerWaalsContact CD1-CG2 3.41Å; I26-I156 HydrophobicContact CG2-CD1 4.42Å; L28-I156 HydrophobicContact CD1-CD1 4.39Å; L28-I156 HydrophobicContact CD2-CD1 3.49Å; L28-I156 VanDerWaalsContact CD2-CD1 3.49Å; L57-I156 HydrophobicContact CD1-CD1 3.88Å; L57-I156 HydrophobicContact CD1-CG1 3.94Å; I138-I156 HydrophobicContact CG2-CG2 3.97Å; F140-I156 HydrophobicContact CB-CG1 4.38Å; F154-I156 HydrophobicContact CB-CG1 4.4Å; I156-I158 HydrophobicContact CG2-CD1 4.36Å; I156-I158 HydrophobicContact CG2-CG1 4.18Å; I156-K162 CarbonylContact O-C 3.41Å; I156-K162 VanDerWaalsContact O-CA 3.28Å; I156-K162 WeakPolarHBondContact O-CA 3.37Å; I156-V163 PolarHBondContact N-O 3.48Å; I156-V163 PolarHBondContact O-N 2.89Å
157E97.3Very high96.2Very high36 Ų369.6 Ų9.617%0.1687%0.066CC..EExtended strand (participates in β ladder)trans-122.1122.9178.3175.6-179.7169.200111K139 W141 V161 K162K139-E157 HydrophobicContact CB-CB 4.16Å; K139-E157 PolarHBondContact N-O 3.01Å; K139-E157 PolarHBondContact O-N 3Å; W141-E157 HydrophobicContact CZ3-CB 4.24Å; E157-V161 VanDerWaalsContact CA-O 3.31Å; E157-V161 WeakPolarHBondContact CA-O 3.14Å; E157-K162 HydrophobicContact CB-CG 4.28Å; E157-K162 HydrophobicContact CG-CG 4.29Å; E157-K162 IonicContact OE1-NZ 3.77Å; E157-K162 PolarHBondContact OE1-NZ 3.06Å; E157-K162 IonicContact OE2-NZ 3.44Å; E157-K162 PolarHBondContact OE2-NZ 3.37Å
158I94.7Very high96.4Very high0 Ų09.4 Ų9.40%07%0.066CC..EExtended strand (participates in β ladder)trans-133120.1175.9-53.6172.5000107.7F21 K22 K24 I26 I138 I156 G160 V161 F479F21-I158 HydrophobicContact CB-CD1 4.23Å; F21-I158 HydrophobicContact CD1-CB 3.87Å; F21-I158 HydrophobicContact CD1-CG2 3.66Å; F21-I158 HydrophobicContact CE1-CG2 4.44Å; F21-I158 WeakPolarHBondContact CE1-O 3.47Å; K22-I158 HydrophobicContact CB-CG2 4.49Å; K24-I158 HydrophobicContact CB-CD1 4.27Å; K24-I158 HydrophobicContact CG-CG2 4.37Å; I26-I158 HydrophobicContact CD1-CD1 3.67Å; I26-I158 HydrophobicContact CD1-CG1 4.38Å; I138-I158 HydrophobicContact CB-CG1 4.5Å; I138-I158 HydrophobicContact CG1-CD1 4.37Å; I138-I158 HydrophobicContact CG1-CG1 4.23Å; I138-I158 HydrophobicContact CG2-CG1 4.17Å; I156-I158 HydrophobicContact CG2-CD1 4.36Å; I156-I158 HydrophobicContact CG2-CG1 4.18Å; I158-G160 PolarHBondContact O-N 2.81Å; I158-V161 PolarHBondContact N-O 3.24Å; I158-V161 WeakPolarHBondContact O-CB 3.44Å; I158-V161 PolarHBondContact O-N 3.19Å; I158-V161 VanDerWaalsContact O-N 3.1Å; I158-F479 HydrophobicContact CG2-CD2 4.18Å; I158-F479 HydrophobicContact CG2-CE2 3.44Å; I158-F479 VanDerWaalsContact CG2-CE2 3.44Å; I158-F479 HydrophobicContact CG2-CZ 3.66Å
159A88.4Confident96.5Very high42 Ų429.2 Ų9.235%0.3477%0.065SC..THydrogen-bonded Turntrans5240.3-179.400000114F21 K22 V161 F479F21-A159 HydrophobicContact CE1-CB 4.17Å; K22-A159 HydrophobicContact CG-CB 4.33Å; A159-V161 PolarHBondContact O-N 2.98Å; A159-F479 HydrophobicContact CB-CB 3.93Å; A159-F479 HydrophobicContact CB-CD1 3.47Å; A159-F479 VanDerWaalsContact CB-CD1 3.47Å; A159-F479 HydrophobicContact CB-CD2 4.15Å; A159-F479 HydrophobicContact CB-CE1 3.99Å; A159-F479 HydrophobicContact CB-CG 3.55Å
160G88.3Confident96.7Very high42 Ų429.4 Ų9.443%0.4337%0.066SC..THydrogen-bonded Turntrans83-22.1-179.600000114.9I158I158-G160 PolarHBondContact O-N 2.81Å
161V94.8Very high96.7Very high14 Ų1411.9 Ų11.99%0.0857%0.073CC..EExtended strand (participates in β ladder)trans-73.7129.3176.9178.30000109.8M1 F21 E157 I158 A159 D188 F447M1-V161 HydrophobicContact CE-CB 4.25Å; M1-V161 HydrophobicContact CE-CG1 3.72Å; M1-V161 HydrophobicContact SD-CG1 4.46Å; F21-V161 HydrophobicContact CE1-CB 4Å; F21-V161 HydrophobicContact CE1-CG2 3.76Å; F21-V161 HydrophobicContact CZ-CG2 3.9Å; E157-V161 VanDerWaalsContact CA-O 3.31Å; E157-V161 WeakPolarHBondContact CA-O 3.14Å; I158-V161 PolarHBondContact N-O 3.24Å; I158-V161 WeakPolarHBondContact O-CB 3.44Å; I158-V161 PolarHBondContact O-N 3.19Å; I158-V161 VanDerWaalsContact O-N 3.1Å; A159-V161 PolarHBondContact O-N 2.98Å; V161-D188 WeakPolarHBondContact CA-OD2 3.03Å; V161-D188 HydrophobicContact CG1-CB 4.02Å; V161-F447 HydrophobicContact CB-CD2 4.38Å; V161-F447 HydrophobicContact CG1-CD1 4.2Å; V161-F447 HydrophobicContact CG1-CD2 3.64Å; V161-F447 HydrophobicContact CG1-CE1 4.12Å; V161-F447 HydrophobicContact CG1-CE2 3.5Å; V161-F447 VanDerWaalsContact CG1-CE2 3.5Å; V161-F447 HydrophobicContact CG1-CG 3.99Å; V161-F447 HydrophobicContact CG1-CZ 3.77Å; V161-F447 HydrophobicContact CG2-CB 3.81Å; V161-F447 HydrophobicContact CG2-CD1 4.48Å; V161-F447 HydrophobicContact CG2-CD2 3.86Å; V161-F447 HydrophobicContact CG2-CG 3.8Å
162K96.5Very high96.4Very high40 Ų4015.9 Ų15.917%0.1749%0.094CC..EExtended strand (participates in β ladder)trans-112.5129.5-177-54-167.4-160.9-42.40112.3W141 M155 I156 E157 I185 D188 A189W141-K162 HydrophobicContact CH2-CD 4.49Å; M155-K162 HydrophobicContact SD-CB 3.94Å; I156-K162 CarbonylContact O-C 3.41Å; I156-K162 VanDerWaalsContact O-CA 3.28Å; I156-K162 WeakPolarHBondContact O-CA 3.37Å; E157-K162 HydrophobicContact CB-CG 4.28Å; E157-K162 HydrophobicContact CG-CG 4.29Å; E157-K162 IonicContact OE1-NZ 3.77Å; E157-K162 PolarHBondContact OE1-NZ 3.06Å; E157-K162 IonicContact OE2-NZ 3.44Å; E157-K162 PolarHBondContact OE2-NZ 3.37Å; K162-I185 HydrophobicContact CD-CG2 3.56Å; K162-D188 PolarHBondContact N-OD2 3.33Å; K162-D188 WeakPolarHBondContact O-CB 3.12Å; K162-D188 PolarHBondContact O-N 3.13Å; K162-A189 PolarHBondContact O-N 3.11Å
163V98.5Very high96.1Very high1 Ų120.6 Ų20.61%0.00612%0.116CC..EExtended strand (participates in β ladder)trans-118.7127.4175-177.10000108.7M1 Y3 L19 M155 I156 A189 I191M1-V163 HydrophobicContact CE-CG2 4.03Å; M1-V163 HydrophobicContact SD-CG2 3.42Å; M1-V163 WeakPolarHBondContact SD-CG2 3.23Å; Y3-V163 HydrophobicContact CE1-CG1 4.04Å; Y3-V163 HydrophobicContact CE1-CG2 4.27Å; Y3-V163 WeakPolarHBondContact OH-CG2 3.32Å; L19-V163 HydrophobicContact CD2-CB 4.39Å; L19-V163 HydrophobicContact CD2-CG1 4.48Å; L19-V163 HydrophobicContact CD2-CG2 4.23Å; M155-V163 WeakPolarHBondContact CA-O 3.48Å; I156-V163 PolarHBondContact N-O 3.48Å; I156-V163 PolarHBondContact O-N 2.89Å; V163-A189 WeakPolarHBondContact CA-O 3.41Å; V163-A189 HydrophobicContact CG1-CB 4.41Å; V163-A189 HydrophobicContact CG2-CB 4.28Å; V163-I191 HydrophobicContact CG1-CD1 3.77Å; V163-I191 HydrophobicContact CG1-CG1 4.04Å
164L98.8Very high95.7Very high0 Ų021.5 Ų21.50%012%0.12CC..EExtended strand (participates in β ladder)trans-100.8121.6169.6-178.962.6000108.9Y143 M153 F154 M155 P183 P187 A189 L190 I191 F394 L398Y143-L164 HydrophobicContact CD2-CD1 4.34Å; M153-L164 HydrophobicContact CB-CD1 4.03Å; F154-L164 WeakPolarHBondContact O-CA 3.29Å; M155-L164 HydrophobicContact CB-CD1 4.37Å; M155-L164 HydrophobicContact CE-CB 4.02Å; M155-L164 HydrophobicContact CE-CD1 4.14Å; M155-L164 HydrophobicContact CE-CG 4.47Å; M155-L164 HydrophobicContact SD-CB 4.15Å; L164-P183 HydrophobicContact CD1-CG 4.5Å; L164-P183 HydrophobicContact CD2-CG 3.82Å; L164-P187 HydrophobicContact CB-CB 3.92Å; L164-P187 HydrophobicContact CB-CG 4.03Å; L164-A189 PolarHBondContact N-O 2.95Å; L164-L190 HydrophobicContact CB-CD1 3.9Å; L164-L190 HydrophobicContact CD2-CD1 3.77Å; L164-L190 HydrophobicContact CG-CD1 3.9Å; L164-I191 PolarHBondContact O-N 3.46Å; L164-F394 HydrophobicContact CD2-CE1 4.19Å; L164-F394 HydrophobicContact CD2-CZ 4.04Å; L164-L398 HydrophobicContact CD2-CD1 3.64Å
165Y98.8Very high95.3Very high4 Ų424 Ų242%0.01613%0.13CC..EExtended strand (participates in β ladder)trans-107.8121.8170174.4-129.3000109.6I17 L28 D29 T59 M153 F154 I191 V406I17-Y165 HydrophobicContact CD1-CD2 4.36Å; I17-Y165 HydrophobicContact CD1-CE2 3.7Å; L28-Y165 HydrophobicContact CB-CD1 3.72Å; L28-Y165 HydrophobicContact CB-CE1 3.65Å; L28-Y165 HydrophobicContact CB-CG 4.4Å; L28-Y165 HydrophobicContact CD1-CD1 3.92Å; L28-Y165 HydrophobicContact CD1-CD2 4.39Å; L28-Y165 HydrophobicContact CD1-CG 3.82Å; L28-Y165 HydrophobicContact CD2-CD1 4.26Å; L28-Y165 HydrophobicContact CG-CD1 4.18Å; D29-Y165 VanDerWaalsContact OD2-CE1 3.22Å; D29-Y165 WeakPolarHBondContact OD2-CE1 3.11Å; D29-Y165 VanDerWaalsContact OD2-CZ 3.29Å; D29-Y165 PolarHBondContact OD2-OH 2.67Å; T59-Y165 HydrophobicContact CG2-CD1 3.66Å; T59-Y165 HydrophobicContact CG2-CE1 3.3Å; M153-Y165 CarbonylContact C-O 3.22Å; M153-Y165 VanDerWaalsContact CA-O 3.23Å; M153-Y165 WeakPolarHBondContact CA-O 3.5Å; F154-Y165 PolarHBondContact N-O 3.11Å; F154-Y165 PolarHBondContact O-N 3.48Å; Y165-I191 WeakPolarHBondContact CA-O 3.43Å; Y165-I191 HydrophobicContact CD2-CB 3.84Å; Y165-I191 HydrophobicContact CD2-CG2 3.63Å; Y165-I191 HydrophobicContact CE2-CG2 4.04Å; Y165-V406 HydrophobicContact CE2-CG2 4.49Å
166T98.7Very high94.7Very high0 Ų024 Ų240%013%0.13CC..  trans-80.3-29.4-173.863.90000113.5M153 F169 L190 I191 L192 E193 F394M153-T166 WeakPolarHBondContact CG-O 3.29Å; M153-T166 HydrophobicContact SD-CG2 4.09Å; T166-F169 HydrophobicContact CG2-CD1 4.35Å; T166-F169 HydrophobicContact CG2-CE1 4.24Å; T166-F169 HydrophobicContact CG2-CZ 4.36Å; T166-L190 HydrophobicContact CG2-CD1 4.1Å; T166-I191 PolarHBondContact N-O 2.74Å; T166-L192 HydrophobicContact CG2-CB 3.86Å; T166-L192 WeakPolarHBondContact OG1-CA 3.37Å; T166-E193 PolarHBondContact OG1-N 2.83Å; T166-F394 HydrophobicContact CG2-CE1 3.95Å
167G98.5Very high94.4Very high2 Ų224 Ų242%0.02113%0.13CC..  trans53.1-148.3-153.600000110.1
168D98.2Very high94.2Very high2 Ų224.1 Ų24.11%0.01113%0.134CC..SBendtrans-80.7135.7168.3-66.5-19.7000111H60 H65 A145 H147 E193 H385 H407H60-D168 IonicContact CE1-OD2 3.25Å; H60-D168 PolarHBondContact CE1-OD2 3.23Å; H60-D168 IonicContact NE2-OD2 3.47Å; H60-D168 PolarHBondContact NE2-OD2 2.91Å; H65-D168 IonicContact CD2-OD2 3.97Å; H65-D168 IonicContact CE1-OD1 3.58Å; H65-D168 IonicContact NE2-OD1 2.8Å; H65-D168 IonicContact NE2-OD2 3.19Å; H65-D168 PolarHBondContact NE2-OD2 3.45Å; A145-D168 WeakPolarHBondContact CB-O 3.35Å; H147-D168 HydrophobicContact CB-CB 4.25Å; H147-D168 VanDerWaalsContact CB-O 3.24Å; H147-D168 WeakPolarHBondContact CB-O 3.41Å; H147-D168 VanDerWaalsContact CD2-CB 3.48Å; H147-D168 WeakPolarHBondContact CD2-CB 3.37Å; H147-D168 IonicContact CE1-OD2 3.45Å; H147-D168 IonicContact NE2-OD2 3.53Å; D168-E193 WeakPolarHBondContact CA-OE1 3.47Å; D168-H385 IonicContact OD1-CE1 3.27Å; D168-H385 PolarHBondContact OD1-CE1 3.03Å; D168-H385 IonicContact OD1-ND1 2.63Å; D168-H385 PolarHBondContact OD1-ND1 3.24Å; D168-H385 IonicContact OD2-CE1 3.3Å; D168-H385 PolarHBondContact OD2-CE1 3.39Å; D168-H385 IonicContact OD2-ND1 3.13Å; D168-H385 IonicContact OD2-NE2 2.7Å; D168-H407 IonicContact OD1-CE1 3.51Å; D168-H407 PolarHBondContact OD1-CE1 2.67Å; D168-H407 IonicContact OD1-CG 3.92Å; D168-H407 IonicContact OD1-ND1 3.76Å; D168-H407 PolarHBondContact OD1-ND1 2.77Å; D168-H407 VanDerWaalsContact OD1-ND1 3.12Å; D168-H407 IonicContact OD2-CE1 3.64Å
169F97.8Very high94.2Very high0 Ų025.4 Ų25.40%015%0.145CC..  trans-147.8153.9-176.280.7-56.6000112.5A145 M153 T166 R171 A180 E193 A384 H385 T386 F394A145-F169 HydrophobicContact CB-CB 3.92Å; A145-F169 CarbonylContact O-C 3.54Å; A145-F169 WeakPolarHBondContact O-CA 3.46Å; A145-F169 VanDerWaalsContact O-CB 3.29Å; A145-F169 WeakPolarHBondContact O-CB 3.4Å; M153-F169 HydrophobicContact SD-CB 4.3Å; M153-F169 HydrophobicContact SD-CD2 3.94Å; M153-F169 HydrophobicContact SD-CG 4.33Å; T166-F169 HydrophobicContact CG2-CD1 4.35Å; T166-F169 HydrophobicContact CG2-CE1 4.24Å; T166-F169 HydrophobicContact CG2-CZ 4.36Å; F169-R171 HydrophobicContact CD2-CG 4.26Å; F169-R171 HydrophobicContact CE2-CG 4Å; F169-A180 HydrophobicContact CB-CB 4.47Å; F169-A180 HydrophobicContact CD2-CB 4.04Å; F169-E193 HydrophobicContact CD1-CG 3.72Å; F169-E193 HydrophobicContact CE1-CG 3.81Å; F169-E193 PolarHBondContact N-OE1 2.79Å; F169-E193 VanDerWaalsContact O-OE1 3.13Å; F169-A384 CarbonylContact C-O 3.56Å; F169-H385 CarbonylContact O-C 3.55Å; F169-H385 VanDerWaalsContact O-C 3.25Å; F169-H385 WeakPolarHBondContact O-CA 3.45Å; F169-T386 HydrophobicContact CD1-CG2 3.76Å; F169-T386 HydrophobicContact CD2-CG2 3.88Å; F169-T386 HydrophobicContact CE1-CG2 3.43Å; F169-T386 VanDerWaalsContact CE1-CG2 3.43Å; F169-T386 VanDerWaalsContact CE1-OG1 3.27Å; F169-T386 WeakPolarHBondContact CE1-OG1 3.48Å; F169-T386 HydrophobicContact CE2-CG2 3.57Å; F169-T386 HydrophobicContact CG-CG2 3.98Å; F169-T386 HydrophobicContact CZ-CG2 3.33Å; F169-T386 WeakPolarHBondContact O-CG2 3.32Å; F169-T386 PolarHBondContact O-N 2.94Å; F169-F394 HydrophobicContact CE2-CB 4.35Å; F169-F394 AromaticContact CE2-CD1 3.67Å; F169-F394 HydrophobicContact CE2-CD1 3.67Å; F169-F394 HydrophobicContact CE2-CD2 4.11Å; F169-F394 AromaticContact CE2-CE1 3.85Å; F169-F394 HydrophobicContact CE2-CE1 3.85Å; F169-F394 HydrophobicContact CE2-CE2 4.28Å; F169-F394 AromaticContact CE2-CG 3.8Å; F169-F394 HydrophobicContact CE2-CG 3.8Å; F169-F394 HydrophobicContact CE2-CZ 4.14Å; F169-F394 AromaticContact CZ-CD1 3.85Å; F169-F394 HydrophobicContact CZ-CD1 3.85Å; F169-F394 HydrophobicContact CZ-CE1 4.23Å; F169-F394 HydrophobicContact CZ-CG 4.23Å
170S96.1Very high94.6Very high4 Ų423.7 Ų23.73%0.02813%0.131CC..  trans-130.9131.7172.9173.60000109.2A145 L172 A180 A384A145-S170 PolarHBondContact O-N 3.32Å; S170-L172 VanDerWaalsContact C-N 3.32Å; S170-L172 PolarHBondContact OG-N 2.59Å; S170-L172 VanDerWaalsContact OG-N 3.16Å; S170-L172 PolarHBondContact OG-O 3.17Å; S170-L172 VanDerWaalsContact OG-O 3.11Å; S170-A180 WeakPolarHBondContact O-CB 3.41Å; S170-A180 PolarHBondContact O-N 3.29Å; S170-A384 WeakPolarHBondContact CB-O 3.35Å
171R95Very high95Very high59 Ų5923.4 Ų23.422%0.22312%0.12CC..SBendtrans-92.74.5173.9-67.1-70.3-56.5160.619.5112.2F169 A179 A180 D181 T386 Q390F169-R171 HydrophobicContact CD2-CG 4.26Å; F169-R171 HydrophobicContact CE2-CG 4Å; R171-A179 WeakPolarHBondContact O-CB 3.43Å; R171-A180 PolarHBondContact NH1-O 3.18Å; R171-D181 PolarHBondContact NH1-O 3.28Å; R171-T386 HydrophobicContact CG-CG2 4.24Å; R171-Q390 HydrophobicContact CB-CB 4.07Å; R171-Q390 HydrophobicContact CB-CG 3.93Å; R171-Q390 HydrophobicContact CG-CB 4.35Å
172L91.5Very high95Very high85 Ų8525.4 Ų25.445%0.44513%0.129SC..SBendtrans-106.3137.9175-66.2176.2000110.7S170 Q390S170-L172 VanDerWaalsContact C-N 3.32Å; S170-L172 PolarHBondContact OG-N 2.59Å; S170-L172 VanDerWaalsContact OG-N 3.16Å; S170-L172 PolarHBondContact OG-O 3.17Å; S170-L172 VanDerWaalsContact OG-O 3.11Å; L172-Q390 HydrophobicContact CG-CG 4.37Å
173E91.1Very high95Very high99 Ų9923.9 Ų23.946%0.46312%0.123SC..  trans-79.8126175.4-173.4175.6168.300110.4L177 R204 N279E173-L177 VanDerWaalsContact CG-O 3.32Å; E173-L177 WeakPolarHBondContact CG-O 3.48Å; E173-R204 PolarHBondContact O-NH1 3.49Å; E173-N279 HydrophobicContact CG-CB 4.34Å; E173-N279 VanDerWaalsContact OE1-CB 3.23Å; E173-N279 WeakPolarHBondContact OE1-CB 3.48Å; E173-N279 PolarHBondContact OE1-ND2 3.12Å
174D89.9Confident94.6Very high19 Ų1930.9 Ų30.910%0.10216%0.16CC..  trans-87.2176.7172.8-74.3-38.8000110.8H176 L177 R234 N279D174-H176 PolarHBondContact O-N 3.22Å; D174-L177 HydrophobicContact CB-CB 4.44Å; D174-L177 PolarHBondContact N-O 3.48Å; D174-L177 VanDerWaalsContact N-O 3.13Å; D174-R234 VanDerWaalsContact CG-NH1 3.3Å; D174-R234 IonicContact OD1-NH1 3.25Å; D174-R234 PolarHBondContact OD1-NH1 3.07Å; D174-R234 IonicContact OD2-CZ 3.79Å; D174-R234 IonicContact OD2-NH1 3.27Å; D174-R234 PolarHBondContact OD2-NH1 3.48Å; D174-R234 IonicContact OD2-NH2 3.35Å; D174-R234 PolarHBondContact OD2-NH2 3.13Å; D174-N279 PolarHBondContact O-ND2 3.16Å
175R90.4Very high94.3Very high52 Ų5233.3 Ų33.320%0.19617%0.173CC..SBendtrans-60.1-27.7174.4-68.2165.3168.6-86.77.9112.6E208 E237 L240 I241 E244 N279R175-E208 IonicContact CZ-OE1 2.71Å; R175-E208 IonicContact CZ-OE2 3.99Å; R175-E208 IonicContact NE-OE1 3.38Å; R175-E208 PolarHBondContact NE-OE1 3.44Å; R175-E208 IonicContact NE-OE2 3.48Å; R175-E208 PolarHBondContact NE-OE2 2.91Å; R175-E208 IonicContact NH2-OE1 3.9Å; R175-E208 IonicContact NH2-OE2 2.82Å; R175-E208 PolarHBondContact NH2-OE2 2.92Å; R175-E237 WeakPolarHBondContact CB-OE1 3.47Å; R175-E237 WeakPolarHBondContact CB-OE2 3.16Å; R175-E237 WeakPolarHBondContact CD-OE1 3.49Å; R175-E237 WeakPolarHBondContact CG-OE1 3.49Å; R175-E237 PolarHBondContact N-OE1 3.38Å; R175-E237 PolarHBondContact N-OE2 2.94Å; R175-L240 HydrophobicContact CB-CD1 3.96Å; R175-I241 VanDerWaalsContact NE-CG1 3.31Å; R175-E244 IonicContact CZ-OE2 3.67Å; R175-E244 VanDerWaalsContact CZ-OE2 3.27Å; R175-E244 IonicContact NH1-OE2 2.75Å; R175-E244 PolarHBondContact NH1-OE2 3.11Å; R175-E244 IonicContact NH2-OE2 3.64Å; R175-E244 PolarHBondContact NH2-OE2 3.07Å; R175-E244 VanDerWaalsContact NH2-OE2 3.13Å; R175-N279 PolarHBondContact O-ND2 3.17Å
176H87.9Confident94Very high0 Ų039.8 Ų39.80%020%0.197CC..SBendtrans-118.8-26.9-175.270.7-64.8000116.4D174 E237 L240 Y271 M278 N279 I282 F292D174-H176 PolarHBondContact O-N 3.22Å; H176-E237 IonicContact CE1-OE2 3.96Å; H176-E237 IonicContact CG-OE2 3.35Å; H176-E237 IonicContact ND1-OE2 3.77Å; H176-E237 PolarHBondContact ND1-OE2 3.09Å; H176-L240 HydrophobicContact CB-CD1 3.93Å; H176-Y271 AromaticContact CD2-CE1 3.8Å; H176-M278 HydrophobicContact CB-SD 4.49Å; H176-M278 WeakPolarHBondContact O-CB 3.32Å; H176-M278 WeakPolarHBondContact O-CG 3.08Å; H176-N279 PolarHBondContact N-ND2 3.45Å; H176-N279 PolarHBondContact O-N 3.02Å; H176-N279 VanDerWaalsContact O-N 3.13Å; H176-I282 HydrophobicContact CB-CD1 4.29Å; H176-I282 HydrophobicContact CB-CG1 3.99Å; H176-F292 HydrophobicContact CB-CE1 4.4Å; H176-F292 HydrophobicContact CB-CZ 4.18Å
177L91.6Very high93.9Very high4 Ų439.8 Ų39.82%0.02120%0.197CC..SBendtrans-107.5145.1-178.5-66.1172.4000111.4H147 L149 E173 D174 M278H147-L177 WeakPolarHBondContact O-CD1 3.32Å; L149-L177 HydrophobicContact CB-CD2 4.42Å; L149-L177 HydrophobicContact CD1-CD2 4.4Å; E173-L177 VanDerWaalsContact CG-O 3.32Å; E173-L177 WeakPolarHBondContact CG-O 3.48Å; D174-L177 HydrophobicContact CB-CB 4.44Å; D174-L177 PolarHBondContact N-O 3.48Å; D174-L177 VanDerWaalsContact N-O 3.13Å; L177-M278 HydrophobicContact CD2-CG 4.45Å
178C92.1Very high93.8Very high37 Ų3742.2 Ų42.225%0.2521%0.21CC..PPolyproline II helixtrans-71.7156.5167.348.30000110.9G146 N279G146-C178 WeakPolarHBondContact CA-O 3.34Å; C178-N279 HydrophobicContact CB-CB 4.49Å
179A94.6Very high93.7Very high28 Ų2842.1 Ų42.123%0.23121%0.209CC..PPolyproline II helixtrans-64.8159.7167.500000111.2R171R171-A179 WeakPolarHBondContact O-CB 3.43Å
180A97.1Very high93.8Very high6 Ų642.1 Ų42.15%0.0521%0.209CC..PPolyproline II helixtrans-51.4148.6169.900000111.1V144 A145 M153 F169 S170 R171V144-A180 CarbonylContact O-C 3.41Å; V144-A180 WeakPolarHBondContact O-CA 3.37Å; A145-A180 VanDerWaalsContact O-CB 3.3Å; A145-A180 WeakPolarHBondContact O-CB 3.38Å; M153-A180 HydrophobicContact CE-CB 4.16Å; M153-A180 HydrophobicContact SD-CB 4.45Å; F169-A180 HydrophobicContact CB-CB 4.47Å; F169-A180 HydrophobicContact CD2-CB 4.04Å; S170-A180 WeakPolarHBondContact O-CB 3.41Å; S170-A180 PolarHBondContact O-N 3.29Å; R171-A180 PolarHBondContact NH1-O 3.18Å
181D96.2Very high93.9Very high36 Ų3642 Ų4219%0.19321%0.208CC..PPolyproline II helixtrans-68.3156.7169.3-78.2-39.2000111R130 Y143 V144 M153 R171R130-D181 IonicContact CZ-OD1 2.68Å; R130-D181 IonicContact CZ-OD2 2.69Å; R130-D181 IonicContact NH1-OD2 3.14Å; R130-D181 IonicContact NH2-OD1 3.8Å; R130-D181 PolarHBondContact NH2-OD1 3.09Å; R130-D181 IonicContact NH2-OD2 3.32Å; R130-D181 PolarHBondContact NH2-OD2 2.93Å; Y143-D181 HydrophobicContact CD1-CB 4.15Å; Y143-D181 HydrophobicContact CG-CB 4.41Å; V144-D181 WeakPolarHBondContact CB-OD2 3.39Å; V144-D181 PolarHBondContact N-OD2 3.5Å; V144-D181 PolarHBondContact O-N 3.32Å; M153-D181 HydrophobicContact CE-CB 4.47Å; M153-D181 VanDerWaalsContact CE-O 3.32Å; M153-D181 WeakPolarHBondContact CE-O 3.5Å; R171-D181 PolarHBondContact NH1-O 3.28Å
182M96.5Very high94Very high56 Ų5639.2 Ų39.228%0.27620%0.198SC..  trans-108.7106.1170.2-171.468.8-155.300108.1N184 F394 Q397 L398M182-N184 PolarHBondContact O-N 3.07Å; M182-F394 HydrophobicContact CE-CD2 4.39Å; M182-F394 HydrophobicContact CE-CE2 4.49Å; M182-F394 HydrophobicContact SD-CD2 3.65Å; M182-F394 HydrophobicContact SD-CE2 3.73Å; M182-Q397 HydrophobicContact CE-CB 3.17Å; M182-Q397 HydrophobicContact CE-CG 4.3Å; M182-Q397 HydrophobicContact SD-CB 4.09Å; M182-L398 HydrophobicContact CE-CB 4.36Å; M182-L398 HydrophobicContact CE-CD2 3.56Å; M182-L398 HydrophobicContact CE-CG 3.51Å
183P95.6Very high94.4Very high7 Ų735.2 Ų35.25%0.04518%0.177CC..  trans-56.9134.9177.5-27.436.2000111.4Y143 M155 L164 I185 L398Y143-P183 HydrophobicContact CD2-CB 4.42Å; Y143-P183 HydrophobicContact CD2-CG 3.83Å; Y143-P183 HydrophobicContact CE1-CB 4.44Å; Y143-P183 HydrophobicContact CE2-CB 3.88Å; Y143-P183 HydrophobicContact CE2-CG 3.78Å; Y143-P183 HydrophobicContact CG-CG 4.22Å; M155-P183 HydrophobicContact CE-CB 4.37Å; L164-P183 HydrophobicContact CD1-CG 4.5Å; L164-P183 HydrophobicContact CD2-CG 3.82Å; P183-I185 PolarHBondContact O-N 3.24Å; P183-L398 HydrophobicContact CB-CD2 4.08Å; P183-L398 HydrophobicContact CG-CD2 4.35Å
184N90.8Very high94.6Very high148 Ų14830.6 Ų30.679%0.79116%0.155SC*.SBendtrans-82.67.1174.262.7-15.9000112.9M182M182-N184 PolarHBondContact O-N 3.07Å
185I91Very high94.9Very high52 Ų5229.8 Ų29.827%0.26715%0.151SC..SBendtrans-117.2131.1-178.2-66.1164000107.6W141 M155 K162 P183 P187W141-I185 HydrophobicContact CH2-CD1 4.5Å; W141-I185 HydrophobicContact CZ2-CD1 3.72Å; M155-I185 HydrophobicContact CE-CB 4.44Å; M155-I185 HydrophobicContact CE-CG2 4.41Å; K162-I185 HydrophobicContact CD-CG2 3.56Å; P183-I185 PolarHBondContact O-N 3.24Å; I185-P187 VanDerWaalsContact O-CD 3.29Å; I185-P187 WeakPolarHBondContact O-CD 3.41Å
186R93.4Very high95.1Very high139 Ų13927.5 Ų27.553%0.52514%0.142SC..  trans-74.9115.9170.7174.3175.4-171.7-171.14.3109.2L398 K399R186-L398 WeakPolarHBondContact CG-O 3.06Å; R186-K399 PolarHBondContact NE-O 2.87Å; R186-K399 PolarHBondContact NH2-O 3.31Å
187P96.6Very high95.5Very high0 Ų027.6 Ų27.60%014%0.143CC..  trans-76.4149.3173.431.6-32.9000110.9M155 L164 I185 A189 L398 P400 P401M155-P187 HydrophobicContact CE-CB 4.33Å; M155-P187 HydrophobicContact SD-CB 4.41Å; L164-P187 HydrophobicContact CB-CB 3.92Å; L164-P187 HydrophobicContact CB-CG 4.03Å; I185-P187 VanDerWaalsContact O-CD 3.29Å; I185-P187 WeakPolarHBondContact O-CD 3.41Å; P187-A189 VanDerWaalsContact C-N 3.33Å; P187-L398 HydrophobicContact CG-CD1 4.36Å; P187-P400 HydrophobicContact CG-CB 4.33Å; P187-P401 WeakPolarHBondContact O-CD 3.48Å
188D96Very high95.7Very high54 Ų5429.8 Ų29.829%0.28916%0.157SC..SBendtrans-75.5-26.5172.6-61.7-69000111.8V161 K162 P401 N402 F447V161-D188 WeakPolarHBondContact CA-OD2 3.03Å; V161-D188 HydrophobicContact CG1-CB 4.02Å; K162-D188 PolarHBondContact N-OD2 3.33Å; K162-D188 WeakPolarHBondContact O-CB 3.12Å; K162-D188 PolarHBondContact O-N 3.13Å; D188-P401 WeakPolarHBondContact O-CD 3.26Å; D188-P401 VanDerWaalsContact O-CG 3.29Å; D188-P401 WeakPolarHBondContact O-CG 3.39Å; D188-N402 PolarHBondContact O-ND2 2.81Å; D188-F447 HydrophobicContact CB-CD1 4.28Å; D188-F447 HydrophobicContact CB-CE1 3.7Å; D188-F447 HydrophobicContact CB-CZ 4.26Å
189A97.5Very high95.9Very high0 Ų032 Ų320%016%0.164CC..EExtended strand (participates in β ladder)trans-141.8137.216900000110.9Y3 K162 V163 L164 P187 N402 I404 L445Y3-A189 HydrophobicContact CE1-CB 4.34Å; Y3-A189 WeakPolarHBondContact OH-CB 3.39Å; K162-A189 PolarHBondContact O-N 3.11Å; V163-A189 WeakPolarHBondContact CA-O 3.41Å; V163-A189 HydrophobicContact CG1-CB 4.41Å; V163-A189 HydrophobicContact CG2-CB 4.28Å; L164-A189 PolarHBondContact N-O 2.95Å; P187-A189 VanDerWaalsContact C-N 3.33Å; A189-N402 WeakPolarHBondContact CA-O 3.24Å; A189-N402 HydrophobicContact CB-CB 4.24Å; A189-I404 HydrophobicContact CB-CD1 4.17Å; A189-L445 HydrophobicContact CB-CD1 3.82Å
190L98.4Very high95.9Very high0 Ų035.7 Ų35.70%018%0.179CC..EExtended strand (participates in β ladder)trans-110.5118.8174.1178.661.3000108.9L164 T166 L192 F394 I395 L398 P400 N402 A403 I404L164-L190 HydrophobicContact CB-CD1 3.9Å; L164-L190 HydrophobicContact CD2-CD1 3.77Å; L164-L190 HydrophobicContact CG-CD1 3.9Å; T166-L190 HydrophobicContact CG2-CD1 4.1Å; L190-L192 HydrophobicContact CD2-CD1 4.12Å; L190-L192 HydrophobicContact CD2-CD2 4.27Å; L190-L192 HydrophobicContact CG-CB 4.29Å; L190-L192 HydrophobicContact CG-CD2 4Å; L190-L192 HydrophobicContact CG-CG 4.5Å; L190-F394 HydrophobicContact CD1-CE1 4.15Å; L190-F394 HydrophobicContact CD2-CD1 4.29Å; L190-F394 HydrophobicContact CD2-CE1 4.46Å; L190-I395 HydrophobicContact CD2-CG1 4.01Å; L190-L398 HydrophobicContact CD1-CD1 4.05Å; L190-L398 HydrophobicContact CD2-CD1 4.03Å; L190-P400 HydrophobicContact CB-CB 3.85Å; L190-P400 HydrophobicContact CB-CG 3.83Å; L190-P400 HydrophobicContact CD2-CG 3.96Å; L190-N402 PolarHBondContact N-O 2.83Å; L190-A403 CarbonylContact O-C 3.52Å; L190-A403 VanDerWaalsContact O-CA 3.3Å; L190-A403 WeakPolarHBondContact O-CA 2.91Å; L190-I404 PolarHBondContact O-N 2.84Å
191I98.6Very high95.6Very high1 Ų136.7 Ų36.71%0.00518%0.182CC..EExtended strand (participates in β ladder)trans-102.8117.9170.4-52.2169.6000106.7Y3 I17 L28 V163 L164 Y165 T166 I404 V406Y3-I191 HydrophobicContact CD1-CD1 3.69Å; Y3-I191 HydrophobicContact CD1-CG1 4.22Å; Y3-I191 HydrophobicContact CE1-CD1 3.83Å; Y3-I191 HydrophobicContact CE1-CG1 4.19Å; I17-I191 HydrophobicContact CD1-CG2 3.85Å; L28-I191 HydrophobicContact CD1-CD1 4.02Å; V163-I191 HydrophobicContact CG1-CD1 3.77Å; V163-I191 HydrophobicContact CG1-CG1 4.04Å; L164-I191 PolarHBondContact O-N 3.46Å; Y165-I191 WeakPolarHBondContact CA-O 3.43Å; Y165-I191 HydrophobicContact CD2-CB 3.84Å; Y165-I191 HydrophobicContact CD2-CG2 3.63Å; Y165-I191 HydrophobicContact CE2-CG2 4.04Å; T166-I191 PolarHBondContact N-O 2.74Å; I191-I404 WeakPolarHBondContact CA-O 3.01Å; I191-I404 HydrophobicContact CG1-CB 4.39Å; I191-I404 HydrophobicContact CG1-CD1 4.15Å; I191-V406 HydrophobicContact CG2-CG1 4.19Å; I191-V406 HydrophobicContact CG2-CG2 3.86Å
192L98.1Very high95.4Very high0 Ų038.1 Ų38.10%019%0.187CC..EExtended strand (participates in β ladder)trans-137.5147.5-172.570.6168.1000113.6T166 L190 T391 I395 A403 I404 F405 V406T166-L192 HydrophobicContact CG2-CB 3.86Å; T166-L192 WeakPolarHBondContact OG1-CA 3.37Å; L190-L192 HydrophobicContact CD2-CD1 4.12Å; L190-L192 HydrophobicContact CD2-CD2 4.27Å; L190-L192 HydrophobicContact CG-CB 4.29Å; L190-L192 HydrophobicContact CG-CD2 4Å; L190-L192 HydrophobicContact CG-CG 4.5Å; L192-T391 HydrophobicContact CD1-CG2 3.58Å; L192-I395 HydrophobicContact CD1-CD1 3.93Å; L192-I395 HydrophobicContact CD1-CG1 3.96Å; L192-A403 HydrophobicContact CD2-CB 4.23Å; L192-I404 WeakPolarHBondContact CD2-O 3.29Å; L192-I404 PolarHBondContact N-O 3.31Å; L192-F405 HydrophobicContact CD1-CD1 4.37Å; L192-F405 HydrophobicContact CD1-CE1 3.99Å; L192-F405 HydrophobicContact CD2-CD1 3.66Å; L192-F405 HydrophobicContact CD2-CE1 3.7Å; L192-F405 HydrophobicContact CG-CD1 3.88Å; L192-F405 HydrophobicContact CG-CE1 3.97Å; L192-F405 WeakPolarHBondContact O-CA 3.33Å; L192-V406 WeakPolarHBondContact O-CG2 3.06Å; L192-V406 PolarHBondContact O-N 2.93Å
193E98Very high95.2Very high2 Ų239.8 Ų39.81%0.00920%0.197CC..EExtended strand (participates in β ladder)trans-62.2161.9174.165.3147.2137.700112.4T166 D168 F169 T195 H385 V406 H407T166-E193 PolarHBondContact OG1-N 2.83Å; D168-E193 WeakPolarHBondContact CA-OE1 3.47Å; F169-E193 HydrophobicContact CD1-CG 3.72Å; F169-E193 HydrophobicContact CE1-CG 3.81Å; F169-E193 PolarHBondContact N-OE1 2.79Å; F169-E193 VanDerWaalsContact O-OE1 3.13Å; E193-T195 WeakPolarHBondContact OE2-CB 3.38Å; E193-T195 PolarHBondContact OE2-OG1 2.67Å; E193-H385 VanDerWaalsContact CD-ND1 3.3Å; E193-H385 IonicContact OE1-CG 3.47Å; E193-H385 IonicContact OE1-ND1 3.17Å; E193-H385 PolarHBondContact OE1-ND1 3.48Å; E193-H385 WeakPolarHBondContact OE2-CB 3.42Å; E193-H385 IonicContact OE2-CE1 2.81Å; E193-H385 IonicContact OE2-CG 3.53Å; E193-H385 IonicContact OE2-ND1 3.61Å; E193-H385 PolarHBondContact OE2-ND1 2.95Å; E193-V406 CarbonylContact C-O 3.58Å; E193-V406 VanDerWaalsContact C-O 3.26Å; E193-V406 WeakPolarHBondContact CA-O 3.33Å; E193-H407 HydrophobicContact CB-CB 4.02Å
194S97.3Very high95Very high2 Ų244.1 Ų44.11%0.01421%0.213CC..  trans-146.325.5-174.5-62.70000112.1Y196 G197 F405 V406 H407 L416S194-Y196 PolarHBondContact O-N 2.57Å; S194-Y196 VanDerWaalsContact O-N 3.15Å; S194-G197 PolarHBondContact O-N 3.05Å; S194-F405 VanDerWaalsContact OG-CB 3.28Å; S194-F405 WeakPolarHBondContact OG-CB 3.49Å; S194-F405 VanDerWaalsContact OG-CD1 3.28Å; S194-F405 WeakPolarHBondContact OG-CD1 3.46Å; S194-V406 WeakPolarHBondContact CB-O 3.33Å; S194-V406 PolarHBondContact N-O 2.68Å; S194-V406 PolarHBondContact OG-O 2.81Å; S194-H407 CarbonylContact C-O 3.52Å; S194-H407 VanDerWaalsContact C-O 3.22Å; S194-H407 PolarHBondContact N-O 3.04Å; S194-L416 WeakPolarHBondContact OG-CD2 3.24Å
195T95.9Very high95Very high1 Ų142.7 Ų42.71%0.00621%0.205CC..THydrogen-bonded Turntrans-53.6-41.8-168.8-50.10000112.4V12 E193 Y346 H385 H407V12-T195 HydrophobicContact CG2-CG2 4.4Å; E193-T195 WeakPolarHBondContact OE2-CB 3.38Å; E193-T195 PolarHBondContact OE2-OG1 2.67Å; T195-Y346 HydrophobicContact CG2-CD1 4.39Å; T195-Y346 HydrophobicContact CG2-CD2 3.7Å; T195-Y346 HydrophobicContact CG2-CE2 3.95Å; T195-Y346 HydrophobicContact CG2-CG 3.93Å; T195-H385 PolarHBondContact OG1-ND1 3.24Å; T195-H407 WeakPolarHBondContact CA-O 3.34Å; T195-H407 PolarHBondContact N-O 3.04Å; T195-H407 PolarHBondContact OG1-ND1 3.43Å; T195-H407 VanDerWaalsContact OG1-ND1 3.11Å; T195-H407 PolarHBondContact OG1-O 2.86Å
196Y94.7Very high95.3Very high4 Ų445 Ų452%0.01622%0.217CC..THydrogen-bonded Turntrans-101.20.9-179.8-77.5-80.9000114.5S194 T198 Q199 H201 Y346 S381 S383 H385S194-Y196 PolarHBondContact O-N 2.57Å; S194-Y196 VanDerWaalsContact O-N 3.15Å; Y196-T198 PolarHBondContact O-N 2.99Å; Y196-Q199 HydrophobicContact CD1-CB 4.31Å; Y196-Q199 WeakPolarHBondContact O-CB 3.4Å; Y196-Q199 VanDerWaalsContact O-CG 3.25Å; Y196-Q199 WeakPolarHBondContact O-CG 3.3Å; Y196-Q199 PolarHBondContact O-N 3.15Å; Y196-H201 AromaticContact CD2-NE2 3.83Å; Y196-H201 AromaticContact CE2-NE2 3.86Å; Y196-H201 AromaticContact CG-NE2 3.95Å; Y196-H201 AromaticContact CZ-NE2 3.98Å; Y196-Y346 HydrophobicContact CE1-CD2 4.44Å; Y196-Y346 PolarHBondContact OH-N 3.28Å; Y196-S381 PolarHBondContact OH-OG 2.92Å; Y196-S381 VanDerWaalsContact OH-OG 3.06Å; Y196-S383 VanDerWaalsContact CE2-OG 3.23Å; Y196-S383 WeakPolarHBondContact CE2-OG 3.33Å; Y196-S383 WeakPolarHBondContact OH-CB 2.82Å; Y196-S383 PolarHBondContact OH-OG 2.82Å; Y196-H385 HydrophobicContact CD2-CB 3.75Å; Y196-H385 HydrophobicContact CE2-CB 3.84Å
197G95.3Very high95.4Very high2 Ų239.3 Ų39.32%0.02120%0.196CC..THydrogen-bonded Turntrans48.8-115.1178.100000113.6S194S194-G197 PolarHBondContact O-N 3.05Å
198T96.6Very high95.3Very high50 Ų5040.4 Ų40.431%0.30720%0.201SC..THydrogen-bonded Turntrans-96.15.6178.754.80000114.1Y196 Y388 R415 A419Y196-T198 PolarHBondContact O-N 2.99Å; T198-Y388 HydrophobicContact CG2-CD2 4.15Å; T198-Y388 HydrophobicContact CG2-CE2 4.42Å; T198-R415 HydrophobicContact CG2-CB 3.93Å; T198-A419 HydrophobicContact CG2-CB 3.84Å
199Q95.1Very high95.4Very high84 Ų8441 Ų4139%0.39321%0.209SC..  trans-68.6151.3178.6-59.2171.849.100110.2Y196 D387 Y388 E412Y196-Q199 HydrophobicContact CD1-CB 4.31Å; Y196-Q199 WeakPolarHBondContact O-CB 3.4Å; Y196-Q199 VanDerWaalsContact O-CG 3.25Å; Y196-Q199 WeakPolarHBondContact O-CG 3.3Å; Y196-Q199 PolarHBondContact O-N 3.15Å; Q199-D387 WeakPolarHBondContact O-CB 3.45Å; Q199-Y388 WeakPolarHBondContact O-CB 3.49Å; Q199-Y388 PolarHBondContact O-N 3.46Å; Q199-E412 PolarHBondContact NE2-OE2 3.07Å
200I94.3Very high95.4Very high106 Ų10645.5 Ų45.554%0.54423%0.226SC..  trans-118.9131.4178.9-65.1172.9000107.8N389I200-N389 WeakPolarHBondContact CG2-ND2 3.33Å
201H91.6Very high95.4Very high26 Ų2645.5 Ų45.512%0.1223%0.226CC..PPolyproline II helixtrans-70.1139.7178.8-80.8168.4000111.6Y196 H385 D387Y196-H201 AromaticContact CD2-NE2 3.83Å; Y196-H201 AromaticContact CE2-NE2 3.86Å; Y196-H201 AromaticContact CG-NE2 3.95Å; Y196-H201 AromaticContact CZ-NE2 3.98Å; H201-H385 PolarHBondContact CE1-O 2.67Å; H201-D387 HydrophobicContact CB-CB 4.09Å; H201-D387 PolarHBondContact N-OD2 2.95Å
202E91.4Very high95.4Very high66 Ų6646 Ų4631%0.30823%0.229SC..PPolyproline II helixtrans-60.1141.5171-174.9167.4-107.600109.9R204 I206 R207 R210E202-R204 PolarHBondContact O-N 3.38Å; E202-I206 HydrophobicContact CG-CB 4.09Å; E202-I206 HydrophobicContact CG-CG2 3.9Å; E202-R207 HydrophobicContact CB-CB 4.34Å; E202-R207 HydrophobicContact CG-CB 4.16Å; E202-R207 PolarHBondContact O-NE 2.78Å; E202-R207 PolarHBondContact O-NH2 2.72Å; E202-R207 VanDerWaalsContact OE2-CA 3.27Å; E202-R207 WeakPolarHBondContact OE2-CA 3.37Å; E202-R210 IonicContact OE1-CZ 3.34Å; E202-R210 IonicContact OE1-NE 2.66Å; E202-R210 IonicContact OE1-NH2 3.1Å; E202-R210 IonicContact OE2-CZ 3.52Å; E202-R210 VanDerWaalsContact OE2-CZ 3.27Å; E202-R210 IonicContact OE2-NE 2.84Å; E202-R210 PolarHBondContact OE2-NE 3.21Å; E202-R210 IonicContact OE2-NH2 3.52Å; E202-R210 PolarHBondContact OE2-NH2 2.6Å
203N92.9Very high95.3Very high91 Ų9149 Ų4949%0.48725%0.25SS..PPolyproline II helixtrans-53.7141.2175.9174-83.4000110.6D205 I206 R207N203-D205 PolarHBondContact O-N 2.9Å; N203-D205 PolarHBondContact OD1-N 2.83Å; N203-I206 HydrophobicContact CB-CB 4.41Å; N203-I206 HydrophobicContact CB-CD1 4.07Å; N203-I206 HydrophobicContact CB-CG1 4.18Å; N203-I206 PolarHBondContact O-N 3.03Å; N203-R207 VanDerWaalsContact O-CB 3.31Å; N203-R207 WeakPolarHBondContact O-CB 3.4Å; N203-R207 PolarHBondContact O-N 3.16Å
204R90.6Very high95.4Very high98 Ų9850.3 Ų50.337%0.3726%0.258SS..Hα-helixtrans-54.8-48.2-174.1-179.7174.1170.9-171.8-13.6113.1E173 E202 I206 R207 E208E173-R204 PolarHBondContact O-NH1 3.49Å; E202-R204 PolarHBondContact O-N 3.38Å; R204-I206 PolarHBondContact O-N 2.95Å; R204-R207 PolarHBondContact O-N 3.1Å; R204-E208 HydrophobicContact CG-CG 4.35Å; R204-E208 WeakPolarHBondContact CG-OE1 3.49Å; R204-E208 IonicContact CZ-OE1 3.39Å; R204-E208 IonicContact NE-OE1 2.74Å; R204-E208 PolarHBondContact NE-OE1 3Å; R204-E208 IonicContact NH2-OE1 3.99Å; R204-E208 WeakPolarHBondContact O-CB 3.34Å; R204-E208 WeakPolarHBondContact O-CG 3.4Å; R204-E208 PolarHBondContact O-N 3.2Å
205D92.1Very high95.4Very high118 Ų11850.2 Ų50.263%0.63126%0.257SS*.Hα-helixtrans-67.3-40.9-176.1-60.8-41.6000111.2N203 S209N203-D205 PolarHBondContact O-N 2.9Å; N203-D205 PolarHBondContact OD1-N 2.83Å; D205-S209 VanDerWaalsContact O-CB 3.23Å; D205-S209 WeakPolarHBondContact O-CB 3.37Å; D205-S209 PolarHBondContact O-N 2.75Å
206I96.1Very high95.5Very high100 Ų10055 Ų5551%0.51328%0.276SS..Hα-helixtrans-63.3-45.3175.9-59-179.4000110.1E202 N203 R204 S209 R210E202-I206 HydrophobicContact CG-CB 4.09Å; E202-I206 HydrophobicContact CG-CG2 3.9Å; N203-I206 HydrophobicContact CB-CB 4.41Å; N203-I206 HydrophobicContact CB-CD1 4.07Å; N203-I206 HydrophobicContact CB-CG1 4.18Å; N203-I206 PolarHBondContact O-N 3.03Å; R204-I206 PolarHBondContact O-N 2.95Å; I206-S209 PolarHBondContact O-N 2.72Å; I206-R210 WeakPolarHBondContact O-CB 3.27Å; I206-R210 PolarHBondContact O-N 2.75Å
207R95.5Very high95.7Very high21 Ų2156.1 Ų56.18%0.07929%0.288CS..Hα-helixtrans-64-47.9179.6-174.8-160.3-57.3179.12.5112.2E202 N203 R204 S209 R210 F211 I380 S381 F382E202-R207 HydrophobicContact CB-CB 4.34Å; E202-R207 HydrophobicContact CG-CB 4.16Å; E202-R207 PolarHBondContact O-NE 2.78Å; E202-R207 PolarHBondContact O-NH2 2.72Å; E202-R207 VanDerWaalsContact OE2-CA 3.27Å; E202-R207 WeakPolarHBondContact OE2-CA 3.37Å; N203-R207 VanDerWaalsContact O-CB 3.31Å; N203-R207 WeakPolarHBondContact O-CB 3.4Å; N203-R207 PolarHBondContact O-N 3.16Å; R204-R207 PolarHBondContact O-N 3.1Å; R207-S209 VanDerWaalsContact C-N 3.32Å; R207-S209 PolarHBondContact O-N 3.16Å; R207-R210 PolarHBondContact O-N 2.87Å; R207-F211 VanDerWaalsContact O-CB 3.28Å; R207-F211 WeakPolarHBondContact O-CB 3.35Å; R207-F211 PolarHBondContact O-N 3.41Å; R207-I380 HydrophobicContact CG-CG2 3.84Å; R207-S381 WeakPolarHBondContact CD-O 3.48Å; R207-S381 VanDerWaalsContact CZ-O 3.31Å; R207-S381 PolarHBondContact NE-O 2.83Å; R207-S381 VanDerWaalsContact NE-O 3.16Å; R207-S381 PolarHBondContact NH1-O 2.84Å; R207-F382 HydrophobicContact CG-CE1 4.02Å; R207-F382 HydrophobicContact CG-CE2 4.05Å; R207-F382 HydrophobicContact CG-CZ 3.76Å
208E96Very high95.9Very high22 Ų2256.1 Ų56.110%0.10329%0.287CS..Hα-helixtrans-63-40.4177.8-72.9-170-156.500111.1R175 R204 F211 T212 I241 F382R175-E208 IonicContact CZ-OE1 2.71Å; R175-E208 IonicContact CZ-OE2 3.99Å; R175-E208 IonicContact NE-OE1 3.38Å; R175-E208 PolarHBondContact NE-OE1 3.44Å; R175-E208 IonicContact NE-OE2 3.48Å; R175-E208 PolarHBondContact NE-OE2 2.91Å; R175-E208 IonicContact NH2-OE1 3.9Å; R175-E208 IonicContact NH2-OE2 2.82Å; R175-E208 PolarHBondContact NH2-OE2 2.92Å; R204-E208 HydrophobicContact CG-CG 4.35Å; R204-E208 WeakPolarHBondContact CG-OE1 3.49Å; R204-E208 IonicContact CZ-OE1 3.39Å; R204-E208 IonicContact NE-OE1 2.74Å; R204-E208 PolarHBondContact NE-OE1 3Å; R204-E208 IonicContact NH2-OE1 3.99Å; R204-E208 WeakPolarHBondContact O-CB 3.34Å; R204-E208 WeakPolarHBondContact O-CG 3.4Å; R204-E208 PolarHBondContact O-N 3.2Å; E208-F211 PolarHBondContact O-N 3.2Å; E208-T212 WeakPolarHBondContact O-CB 3.37Å; E208-T212 WeakPolarHBondContact O-CG2 3.35Å; E208-T212 PolarHBondContact O-N 3.09Å; E208-T212 PolarHBondContact O-OG1 2.88Å; E208-I241 HydrophobicContact CG-CD1 3.96Å; E208-I241 HydrophobicContact CG-CG1 4.33Å; E208-F382 HydrophobicContact CG-CE1 4.1Å
209S96.9Very high95.9Very high67 Ų6753.8 Ų53.847%0.46927%0.273SS..Hα-helixtrans-64.4-44.7174.7-175.40000112.1D205 I206 R207 T212 S213D205-S209 VanDerWaalsContact O-CB 3.23Å; D205-S209 WeakPolarHBondContact O-CB 3.37Å; D205-S209 PolarHBondContact O-N 2.75Å; I206-S209 PolarHBondContact O-N 2.72Å; R207-S209 VanDerWaalsContact C-N 3.32Å; R207-S209 PolarHBondContact O-N 3.16Å; S209-T212 PolarHBondContact O-OG1 2.89Å; S209-T212 VanDerWaalsContact O-OG1 3.1Å; S209-S213 WeakPolarHBondContact O-CB 3.08Å; S209-S213 PolarHBondContact O-N 2.76Å; S209-S213 PolarHBondContact O-OG 3.01Å
210R97.9Very high96.1Very high95 Ų9553.5 Ų53.536%0.35828%0.277SS..Hα-helixtrans-62.6-45.4176.1-175.7167.763.5121.5-1.7111.2E202 I206 R207 S213 V214 Y379 I380E202-R210 IonicContact OE1-CZ 3.34Å; E202-R210 IonicContact OE1-NE 2.66Å; E202-R210 IonicContact OE1-NH2 3.1Å; E202-R210 IonicContact OE2-CZ 3.52Å; E202-R210 VanDerWaalsContact OE2-CZ 3.27Å; E202-R210 IonicContact OE2-NE 2.84Å; E202-R210 PolarHBondContact OE2-NE 3.21Å; E202-R210 IonicContact OE2-NH2 3.52Å; E202-R210 PolarHBondContact OE2-NH2 2.6Å; I206-R210 WeakPolarHBondContact O-CB 3.27Å; I206-R210 PolarHBondContact O-N 2.75Å; R207-R210 PolarHBondContact O-N 2.87Å; R210-S213 PolarHBondContact O-N 2.92Å; R210-V214 WeakPolarHBondContact O-CG2 3.32Å; R210-V214 PolarHBondContact O-N 3.3Å; R210-Y379 PolarHBondContact NH1-O 3.15Å; R210-Y379 VanDerWaalsContact NH1-O 3.1Å; R210-I380 HydrophobicContact CG-CD1 4.16Å
211F98.3Very high96.2Very high0 Ų053.1 Ų53.10%027%0.269CS..Hα-helixtrans-57.1-56.1177.1173.8-116.1000112.1R207 E208 S213 V214 V215 I227 L238 I241 L242 I342 I380 F382R207-F211 VanDerWaalsContact O-CB 3.28Å; R207-F211 WeakPolarHBondContact O-CB 3.35Å; R207-F211 PolarHBondContact O-N 3.41Å; E208-F211 PolarHBondContact O-N 3.2Å; F211-S213 VanDerWaalsContact C-N 3.3Å; F211-S213 PolarHBondContact O-N 2.98Å; F211-V214 PolarHBondContact O-N 3.32Å; F211-V215 HydrophobicContact CD2-CG2 4.16Å; F211-V215 HydrophobicContact CE2-CG2 3.81Å; F211-V215 HydrophobicContact CZ-CG2 4.03Å; F211-V215 VanDerWaalsContact O-CG2 3.31Å; F211-V215 WeakPolarHBondContact O-CG2 3.43Å; F211-V215 PolarHBondContact O-N 3.13Å; F211-I227 HydrophobicContact CE2-CD1 3.82Å; F211-I227 HydrophobicContact CZ-CD1 3.8Å; F211-L238 HydrophobicContact CE1-CD2 4.08Å; F211-L238 HydrophobicContact CE2-CD2 4.24Å; F211-L238 HydrophobicContact CZ-CB 4.43Å; F211-L238 HydrophobicContact CZ-CD2 3.9Å; F211-I241 HydrophobicContact CD1-CG2 3.89Å; F211-I241 HydrophobicContact CE1-CB 4.48Å; F211-I241 HydrophobicContact CE1-CG2 4.08Å; F211-L242 HydrophobicContact CE1-CD1 4.46Å; F211-L242 HydrophobicContact CE1-CD2 3.75Å; F211-L242 HydrophobicContact CE1-CG 3.84Å; F211-L242 HydrophobicContact CZ-CD1 4.19Å; F211-L242 HydrophobicContact CZ-CD2 3.99Å; F211-L242 HydrophobicContact CZ-CG 4.06Å; F211-I342 HydrophobicContact CD2-CD1 4.26Å; F211-I342 HydrophobicContact CD2-CG2 4.37Å; F211-I342 HydrophobicContact CE2-CD1 4.16Å; F211-I342 HydrophobicContact CE2-CG2 4.45Å; F211-I380 HydrophobicContact CB-CD1 4.32Å; F211-I380 HydrophobicContact CB-CG2 4.19Å; F211-I380 HydrophobicContact CD2-CD1 4.48Å; F211-F382 HydrophobicContact CB-CE2 3.68Å; F211-F382 HydrophobicContact CB-CZ 3.57Å; F211-F382 HydrophobicContact CD1-CE2 4.24Å; F211-F382 AromaticContact CD1-CZ 3.99Å; F211-F382 HydrophobicContact CD1-CZ 3.99Å; F211-F382 AromaticContact CD2-CE2 3.86Å; F211-F382 HydrophobicContact CD2-CE2 3.86Å; F211-F382 HydrophobicContact CD2-CZ 4.4Å; F211-F382 AromaticContact CG-CE2 3.66Å; F211-F382 HydrophobicContact CG-CE2 3.66Å; F211-F382 AromaticContact CG-CZ 3.74Å; F211-F382 HydrophobicContact CG-CZ 3.74Å
212T98Very high96.4Very high11 Ų1153.1 Ų53.17%0.06728%0.276CS..Hα-helixtrans-63-36.9-179.950.70000112.2E208 S209 R216 I241 Y245E208-T212 WeakPolarHBondContact O-CB 3.37Å; E208-T212 WeakPolarHBondContact O-CG2 3.35Å; E208-T212 PolarHBondContact O-N 3.09Å; E208-T212 PolarHBondContact O-OG1 2.88Å; S209-T212 PolarHBondContact O-OG1 2.89Å; S209-T212 VanDerWaalsContact O-OG1 3.1Å; T212-R216 WeakPolarHBondContact O-CB 3.48Å; T212-R216 PolarHBondContact O-N 3.34Å; T212-I241 HydrophobicContact CG2-CG2 3.89Å; T212-Y245 HydrophobicContact CG2-CD1 3.95Å; T212-Y245 HydrophobicContact CG2-CD2 3.66Å; T212-Y245 HydrophobicContact CG2-CE1 4.4Å; T212-Y245 HydrophobicContact CG2-CE2 4.16Å; T212-Y245 HydrophobicContact CG2-CG 3.54Å
213S97.8Very high96.8Very high63 Ų6350 Ų5044%0.44126%0.261SS..Hα-helixtrans-65.3-42.6176.1-61.50000112.9S209 R210 F211 G217S209-S213 WeakPolarHBondContact O-CB 3.08Å; S209-S213 PolarHBondContact O-N 2.76Å; S209-S213 PolarHBondContact O-OG 3.01Å; R210-S213 PolarHBondContact O-N 2.92Å; F211-S213 VanDerWaalsContact C-N 3.3Å; F211-S213 PolarHBondContact O-N 2.98Å; S213-G217 PolarHBondContact O-N 3.13Å
214V98.6Very high97Very high29 Ų2947.6 Ų47.618%0.17625%0.245CC..Hα-helixtrans-66.7-46.2176.6172.10000110.6R210 F211 R216 G217 I218 I342 A378 I380R210-V214 WeakPolarHBondContact O-CG2 3.32Å; R210-V214 PolarHBondContact O-N 3.3Å; F211-V214 PolarHBondContact O-N 3.32Å; V214-R216 PolarHBondContact O-N 3.38Å; V214-G217 PolarHBondContact O-N 3.4Å; V214-I218 HydrophobicContact CG1-CD1 3.89Å; V214-I218 WeakPolarHBondContact O-CD1 3.15Å; V214-I218 WeakPolarHBondContact O-CG1 3.14Å; V214-I218 PolarHBondContact O-N 3.09Å; V214-I342 HydrophobicContact CB-CD1 4.38Å; V214-I342 HydrophobicContact CG1-CD1 3.81Å; V214-I342 HydrophobicContact CG1-CG1 4.16Å; V214-A378 HydrophobicContact CG1-CB 4.03Å; V214-I380 HydrophobicContact CB-CD1 4.16Å; V214-I380 HydrophobicContact CG2-CD1 4.04Å
215V98.6Very high97.4Very high0 Ų043 Ų430%023%0.228CC..Hα-helixtrans-56.4-51.4175.7172.50000110.4F211 G217 I218 V219 I227 L242 W246 V313 I342F211-V215 HydrophobicContact CD2-CG2 4.16Å; F211-V215 HydrophobicContact CE2-CG2 3.81Å; F211-V215 HydrophobicContact CZ-CG2 4.03Å; F211-V215 VanDerWaalsContact O-CG2 3.31Å; F211-V215 WeakPolarHBondContact O-CG2 3.43Å; F211-V215 PolarHBondContact O-N 3.13Å; V215-G217 VanDerWaalsContact C-N 3.33Å; V215-G217 PolarHBondContact O-N 3.09Å; V215-I218 PolarHBondContact O-N 3.4Å; V215-I218 VanDerWaalsContact O-N 3.13Å; V215-V219 WeakPolarHBondContact O-CG2 3.24Å; V215-V219 PolarHBondContact O-N 2.71Å; V215-I227 HydrophobicContact CG2-CD1 4.4Å; V215-L242 HydrophobicContact CG1-CD2 4.09Å; V215-L242 HydrophobicContact CG2-CD2 4.34Å; V215-W246 HydrophobicContact CG1-CH2 3.78Å; V215-W246 HydrophobicContact CG1-CZ3 4Å; V215-V313 HydrophobicContact CG1-CG1 4.42Å; V215-V313 HydrophobicContact CG1-CG2 3.59Å; V215-I342 HydrophobicContact CG2-CD1 3.44Å; V215-I342 VanDerWaalsContact CG2-CD1 3.44Å
216R98Very high97.7Very high103 Ų10337.3 Ų37.339%0.38920%0.198SC..Hα-helixtrans-54.9-48.6176.2179.1-176179.6-167.96.7111.2T212 V214 I218 V219 T220 Y245 E251 L252T212-R216 WeakPolarHBondContact O-CB 3.48Å; T212-R216 PolarHBondContact O-N 3.34Å; V214-R216 PolarHBondContact O-N 3.38Å; R216-I218 PolarHBondContact O-N 3.25Å; R216-V219 PolarHBondContact O-N 3.24Å; R216-T220 HydrophobicContact CG-CG2 3.9Å; R216-T220 WeakPolarHBondContact O-CB 3.48Å; R216-T220 VanDerWaalsContact O-CG2 3.26Å; R216-T220 WeakPolarHBondContact O-CG2 3.4Å; R216-T220 PolarHBondContact O-N 3.21Å; R216-T220 PolarHBondContact O-OG1 3.11Å; R216-Y245 HydrophobicContact CB-CE1 4.38Å; R216-Y245 WeakPolarHBondContact CD-OH 3.43Å; R216-E251 IonicContact CZ-OE1 3.14Å; R216-E251 IonicContact CZ-OE2 3.88Å; R216-E251 IonicContact NE-OE1 2.64Å; R216-E251 PolarHBondContact NE-OE1 3.08Å; R216-E251 VanDerWaalsContact NH2-CD 3.28Å; R216-E251 IonicContact NH2-OE1 2.94Å; R216-E251 PolarHBondContact NH2-OE1 3.02Å; R216-E251 IonicContact NH2-OE2 2.92Å; R216-E251 PolarHBondContact NH2-OE2 3.4Å; R216-L252 HydrophobicContact CG-CD1 4.5Å; R216-L252 HydrophobicContact CG-CD2 4.43Å
217G98.3Very high97.8Very high27 Ų2732.6 Ų32.628%0.27817%0.173SC..Hα-helixtrans-60.1-32.5179.600000113.3S213 V214 V215 R221S213-G217 PolarHBondContact O-N 3.13Å; V214-G217 PolarHBondContact O-N 3.4Å; V215-G217 VanDerWaalsContact C-N 3.33Å; V215-G217 PolarHBondContact O-N 3.09Å; G217-R221 VanDerWaalsContact O-CD 3.28Å; G217-R221 WeakPolarHBondContact O-CD 3.34Å; G217-R221 WeakPolarHBondContact O-CG 3.49Å; G217-R221 PolarHBondContact O-NH1 3.26Å
218I98.7Very high97.9Very high1 Ų131.9 Ų31.91%0.00517%0.172CC..Hα-helixtrans-72.9-48.5176-64.8156.9000111.5V214 V215 R216 R221 G223 R224 C225 I342V214-I218 HydrophobicContact CG1-CD1 3.89Å; V214-I218 WeakPolarHBondContact O-CD1 3.15Å; V214-I218 WeakPolarHBondContact O-CG1 3.14Å; V214-I218 PolarHBondContact O-N 3.09Å; V215-I218 PolarHBondContact O-N 3.4Å; V215-I218 VanDerWaalsContact O-N 3.13Å; R216-I218 PolarHBondContact O-N 3.25Å; I218-R221 VanDerWaalsContact CA-CZ 3.43Å; I218-R221 VanDerWaalsContact CG1-NH2 3.28Å; I218-R221 WeakPolarHBondContact O-CG 3.48Å; I218-G223 WeakPolarHBondContact O-CA 3.29Å; I218-G223 PolarHBondContact O-N 3.34Å; I218-R224 WeakPolarHBondContact CG2-O 3.2Å; I218-C225 HydrophobicContact CB-CB 4.13Å; I218-C225 HydrophobicContact CD1-CB 4.12Å; I218-C225 HydrophobicContact CG2-CB 3.73Å; I218-I342 HydrophobicContact CD1-CD1 4.27Å; I218-I342 HydrophobicContact CD1-CG1 4.28Å
219V98.4Very high97.8Very high1 Ų131.1 Ų31.11%0.00617%0.169CC..Hα-helixtrans-78-33.9-172.3-59.90000112.6V215 R216 R221 G222 C225 W246 L252 I255 P311 V313V215-V219 WeakPolarHBondContact O-CG2 3.24Å; V215-V219 PolarHBondContact O-N 2.71Å; R216-V219 PolarHBondContact O-N 3.24Å; V219-R221 VanDerWaalsContact C-N 3.32Å; V219-R221 PolarHBondContact O-N 3.03Å; V219-G222 PolarHBondContact O-N 3.36Å; V219-C225 HydrophobicContact CG1-CB 4.17Å; V219-W246 HydrophobicContact CG2-CH2 4.45Å; V219-L252 HydrophobicContact CG2-CD2 3.86Å; V219-I255 HydrophobicContact CB-CD1 3.86Å; V219-I255 HydrophobicContact CB-CG2 3.93Å; V219-I255 HydrophobicContact CG1-CG2 4.12Å; V219-I255 HydrophobicContact CG2-CD1 3.74Å; V219-I255 HydrophobicContact CG2-CG2 4.29Å; V219-P311 HydrophobicContact CB-CB 4.17Å; V219-P311 VanDerWaalsContact O-CB 3.24Å; V219-P311 WeakPolarHBondContact O-CB 3.42Å; V219-V313 HydrophobicContact CG1-CG2 3.72Å
220T97.4Very high97.3Very high78 Ų7832.1 Ų32.148%0.47916%0.164SC..Hα-helixtrans-70.3-26.5179.453.80000113.2R216 G222 L252R216-T220 HydrophobicContact CG-CG2 3.9Å; R216-T220 WeakPolarHBondContact O-CB 3.48Å; R216-T220 VanDerWaalsContact O-CG2 3.26Å; R216-T220 WeakPolarHBondContact O-CG2 3.4Å; R216-T220 PolarHBondContact O-N 3.21Å; R216-T220 PolarHBondContact O-OG1 3.11Å; T220-G222 PolarHBondContact O-N 3.48Å; T220-L252 HydrophobicContact CG2-CD2 3.89Å
221R97Very high96.4Very high99 Ų9927.9 Ų27.937%0.37415%0.15SC..THydrogen-bonded Turntrans-82.311169.570.8-174.3179.2-120.614.6113.6G217 I218 V219 K338 N339G217-R221 VanDerWaalsContact O-CD 3.28Å; G217-R221 WeakPolarHBondContact O-CD 3.34Å; G217-R221 WeakPolarHBondContact O-CG 3.49Å; G217-R221 PolarHBondContact O-NH1 3.26Å; I218-R221 VanDerWaalsContact CA-CZ 3.43Å; I218-R221 VanDerWaalsContact CG1-NH2 3.28Å; I218-R221 WeakPolarHBondContact O-CG 3.48Å; V219-R221 VanDerWaalsContact C-N 3.32Å; V219-R221 PolarHBondContact O-N 3.03Å; R221-K338 HydrophobicContact CG-CB 4.49Å; R221-K338 PolarHBondContact NE-O 3.19Å; R221-K338 PolarHBondContact NH2-O 2.81Å; R221-N339 PolarHBondContact NH2-O 2.85Å
222G97Very high95.6Very high25 Ų2528 Ų2826%0.25815%0.151SC..THydrogen-bonded Turntrans78.717.9177.500000114.8V219 T220 K338V219-G222 PolarHBondContact O-N 3.36Å; T220-G222 PolarHBondContact O-N 3.48Å; G222-K338 WeakPolarHBondContact O-CD 3.41Å; G222-K338 WeakPolarHBondContact O-CE 3.22Å; G222-K338 PolarHBondContact O-NZ 3.39Å
223G98.3Very high94.9Very high0 Ų027.5 Ų27.50%015%0.147CC..  trans-94.1163.517900000114.4I218 P311 K338I218-G223 WeakPolarHBondContact O-CA 3.29Å; I218-G223 PolarHBondContact O-N 3.34Å; G223-P311 VanDerWaalsContact O-CA 3.31Å; G223-P311 WeakPolarHBondContact O-CA 3.32Å; G223-P311 VanDerWaalsContact O-CB 3.31Å; G223-P311 WeakPolarHBondContact O-CB 3.3Å; G223-K338 WeakPolarHBondContact CA-O 3.4Å
224R98.3Very high94.4Very high42 Ų4226 Ų2616%0.15813%0.132CC..EExtended strand (participates in β ladder)trans-92.4131.8170-65.4123.1169.3151.50.5110.5I218 D308 W333 N339 G340I218-R224 WeakPolarHBondContact CG2-O 3.2Å; R224-D308 IonicContact CZ-OD1 3.93Å; R224-D308 IonicContact CZ-OD2 3.45Å; R224-D308 IonicContact NE-OD1 2.79Å; R224-D308 PolarHBondContact NE-OD1 2.84Å; R224-D308 IonicContact NE-OD2 3.9Å; R224-D308 PolarHBondContact NH2-O 2.93Å; R224-D308 IonicContact NH2-OD1 3.9Å; R224-D308 PolarHBondContact NH2-OD1 2.78Å; R224-D308 IonicContact NH2-OD2 3.4Å; R224-D308 PolarHBondContact NH2-OD2 3.25Å; R224-W333 HydrophobicContact CB-CD2 3.8Å; R224-W333 HydrophobicContact CB-CE3 3.66Å; R224-W333 HydrophobicContact CB-CH2 3.76Å; R224-W333 HydrophobicContact CB-CZ2 3.89Å; R224-W333 HydrophobicContact CB-CZ3 3.66Å; R224-W333 HydrophobicContact CG-CD2 4.19Å; R224-W333 HydrophobicContact CG-CE3 4.44Å; R224-W333 HydrophobicContact CG-CH2 3.96Å; R224-W333 HydrophobicContact CG-CZ2 3.67Å; R224-W333 HydrophobicContact CG-CZ3 4.36Å; R224-N339 PolarHBondContact N-OD1 3.38Å; R224-N339 CarbonylContact O-C 3.36Å; R224-N339 WeakPolarHBondContact O-CA 3.44Å; R224-N339 WeakPolarHBondContact O-CB 3.35Å; R224-G340 PolarHBondContact O-N 2.76Å
225C98.6Very high94Very high0 Ų024.6 Ų24.60%012%0.124CC..EExtended strand (participates in β ladder)trans-103.6106176.5-177.50000109.7I218 V219 C312 V313 V314 G340I218-C225 HydrophobicContact CB-CB 4.13Å; I218-C225 HydrophobicContact CD1-CB 4.12Å; I218-C225 HydrophobicContact CG2-CB 3.73Å; V219-C225 HydrophobicContact CG1-CB 4.17Å; C225-C312 PolarHBondContact N-O 3.19Å; C225-V313 HydrophobicContact CB-CG1 4.38Å; C225-V313 HydrophobicContact CB-CG2 4.24Å; C225-V313 CarbonylContact O-C 3.44Å; C225-V313 WeakPolarHBondContact O-CA 3.45Å; C225-V314 PolarHBondContact O-N 3.36Å; C225-G340 CarbonylContact C-O 3.55Å; C225-G340 WeakPolarHBondContact CA-O 3.21Å
226L98.5Very high93.7Very high0 Ų024.6 Ų24.60%012%0.124CC..EExtended strand (participates in β ladder)trans-87.9135.5172-179.463.9000110.2P228 A316 L321 S326 L329 F330 W333 G340 C341 I342L226-P228 HydrophobicContact CD2-CG 4.35Å; L226-P228 HydrophobicContact CG-CG 4.19Å; L226-A316 HydrophobicContact CD1-CB 4.03Å; L226-L321 HydrophobicContact CD2-CD2 4.42Å; L226-S326 WeakPolarHBondContact CD2-O 3.24Å; L226-L329 HydrophobicContact CD1-CB 4.11Å; L226-L329 HydrophobicContact CD1-CD1 4.18Å; L226-L329 HydrophobicContact CD2-CB 4.44Å; L226-F330 HydrophobicContact CD2-CB 3.64Å; L226-F330 HydrophobicContact CD2-CD2 4.09Å; L226-F330 HydrophobicContact CD2-CG 4.39Å; L226-W333 HydrophobicContact CB-CE3 4.09Å; L226-W333 HydrophobicContact CB-CZ3 4.1Å; L226-W333 HydrophobicContact CD1-CZ3 4.47Å; L226-G340 PolarHBondContact N-O 3.14Å; L226-C341 CarbonylContact O-C 3.13Å; L226-C341 VanDerWaalsContact O-CA 3.3Å; L226-C341 WeakPolarHBondContact O-CA 3.25Å; L226-I342 PolarHBondContact O-N 3.47Å
227I98.3Very high93.4Very high0 Ų019.9 Ų19.90%011%0.106CC..EExtended strand (participates in β ladder)trans-129.696.1173.9-49.7176.2000107.7F211 V215 V229 L238 L242 V313 V314 L315 A316 I342 A344F211-I227 HydrophobicContact CE2-CD1 3.82Å; F211-I227 HydrophobicContact CZ-CD1 3.8Å; V215-I227 HydrophobicContact CG2-CD1 4.4Å; I227-V229 HydrophobicContact CG2-CG1 3.92Å; I227-V229 PolarHBondContact O-N 3.35Å; I227-L238 HydrophobicContact CG2-CD1 3.94Å; I227-L242 HydrophobicContact CD1-CD1 4.31Å; I227-V313 HydrophobicContact CD1-CG1 3.77Å; I227-V313 HydrophobicContact CG1-CG1 4.41Å; I227-V314 PolarHBondContact N-O 2.98Å; I227-L315 HydrophobicContact CB-CG 4.13Å; I227-L315 HydrophobicContact CD1-CD1 4.1Å; I227-L315 HydrophobicContact CD1-CG 4.37Å; I227-L315 HydrophobicContact CG2-CG 4.48Å; I227-L315 VanDerWaalsContact O-CA 3.31Å; I227-L315 WeakPolarHBondContact O-CA 3.29Å; I227-A316 PolarHBondContact O-N 3.33Å; I227-A316 VanDerWaalsContact O-N 3.14Å; I227-I342 HydrophobicContact CG1-CB 4.31Å; I227-A344 HydrophobicContact CG2-CB 4.21Å
228P96.4Very high93.3Very high7 Ų718.6 Ų18.65%0.0459%0.093CC..EExtended strand (participates in β ladder)trans-67.4125.8177.4-19.734.9000110L226 A316 G319 L321 I342 I343L226-P228 HydrophobicContact CD2-CG 4.35Å; L226-P228 HydrophobicContact CG-CG 4.19Å; P228-A316 WeakPolarHBondContact CA-O 3.34Å; P228-G319 WeakPolarHBondContact CB-O 3.39Å; P228-L321 HydrophobicContact CB-CD2 3.8Å; P228-L321 HydrophobicContact CB-CG 3.97Å; P228-L321 HydrophobicContact CG-CD1 4Å; P228-L321 HydrophobicContact CG-CD2 3.53Å; P228-L321 HydrophobicContact CG-CG 3.79Å; P228-I342 WeakPolarHBondContact CD-O 3.2Å; P228-I343 HydrophobicContact CG-CD1 4.02Å
229V93.7Very high93.1Very high6 Ų618.5 Ų18.54%0.0369%0.092CC..  trans-140.4162.9-176.9-65.30000111.9I227 A235 L238 Y259 L315 A316 T317 P318 G319I227-V229 HydrophobicContact CG2-CG1 3.92Å; I227-V229 PolarHBondContact O-N 3.35Å; V229-A235 HydrophobicContact CB-CB 4.09Å; V229-A235 HydrophobicContact CG2-CB 3.79Å; V229-L238 HydrophobicContact CG1-CD1 3.86Å; V229-Y259 HydrophobicContact CG2-CE2 4.4Å; V229-L315 HydrophobicContact CG1-CD2 4.36Å; V229-L315 HydrophobicContact CG2-CB 3.98Å; V229-L315 HydrophobicContact CG2-CD2 4.48Å; V229-A316 PolarHBondContact N-O 2.92Å; V229-T317 WeakPolarHBondContact O-CA 3.41Å; V229-T317 WeakPolarHBondContact O-CG2 3.47Å; V229-P318 CarbonylContact O-C 3.52Å; V229-G319 PolarHBondContact O-N 2.94Å
230F86.8Confident92.8Very high87 Ų8719.6 Ų19.638%0.38210%0.098SC..  trans-80152.7163.7-60.9-73.1000110.7L232 A235 M320F230-L232 PolarHBondContact O-N 2.94Å; F230-L232 VanDerWaalsContact O-N 3.17Å; F230-A235 WeakPolarHBondContact O-CB 3.46Å; F230-M320 HydrophobicContact CE2-CE 4.32Å; F230-M320 HydrophobicContact CZ-CE 3.79Å; F230-M320 HydrophobicContact CZ-CG 4.16Å
231A79.2Confident92.8Very high7 Ų716 Ų166%0.0588%0.076CC..THydrogen-bonded Turntrans-64.6-21.2-174.700000114I95 Q236 Y259 L263 T317I95-A231 HydrophobicContact CD1-CB 4.43Å; A231-Q236 PolarHBondContact O-NE2 3.38Å; A231-Q236 VanDerWaalsContact O-NE2 3.15Å; A231-Y259 VanDerWaalsContact CA-OH 3.24Å; A231-Y259 WeakPolarHBondContact CA-OH 3.35Å; A231-Y259 PolarHBondContact O-OH 3.07Å; A231-L263 HydrophobicContact CB-CB 4.05Å; A231-L263 HydrophobicContact CB-CD1 4.06Å; A231-T317 HydrophobicContact CB-CG2 3.9Å
232L82Confident92.8Very high2 Ų211.3 Ų11.31%0.016%0.058CC..THydrogen-bonded Turntrans-136.9146.7-178.4-77.4167.2000109.6F61 I91 I95 F230 C267 Y271F61-L232 HydrophobicContact CE2-CB 3.83Å; F61-L232 HydrophobicContact CZ-CB 3.92Å; I91-L232 HydrophobicContact CB-CD1 4.28Å; I91-L232 HydrophobicContact CD1-CD1 4.41Å; I91-L232 HydrophobicContact CG1-CD1 4.09Å; I91-L232 HydrophobicContact CG2-CD1 3.3Å; I95-L232 HydrophobicContact CD1-CD1 4.12Å; I95-L232 HydrophobicContact CG1-CD1 4.27Å; F230-L232 PolarHBondContact O-N 2.94Å; F230-L232 VanDerWaalsContact O-N 3.17Å; L232-C267 HydrophobicContact CD1-CB 4.47Å; L232-C267 HydrophobicContact CD2-CB 3.33Å; L232-C267 WeakPolarHBondContact CD2-SG 3.22Å; L232-C267 HydrophobicContact CG-CB 3.96Å; L232-C267 WeakPolarHBondContact CG-SG 3.43Å; L232-Y271 HydrophobicContact CD2-CD2 4.07Å; L232-Y271 HydrophobicContact CD2-CE2 3.41Å; L232-Y271 VanDerWaalsContact CD2-CE2 3.41Å
233G83.8Confident92.7Very high0 Ų011.1 Ų11.10%05%0.051CC..THydrogen-bonded Turntrans97.4-106.3-17700000112.5A235 Q236 Y271G233-A235 VanDerWaalsContact C-N 3.29Å; G233-A235 PolarHBondContact O-N 3.06Å; G233-Q236 VanDerWaalsContact C-OE1 3.28Å; G233-Q236 PolarHBondContact O-N 3.05Å; G233-Q236 PolarHBondContact O-OE1 3.03Å; G233-Y271 PolarHBondContact N-OH 2.94Å
234R86.6Confident92.4Very high31 Ų3114.4 Ų14.412%0.1177%0.067CC..Hα-helixtrans-65.5-29.3-168.7-61.4-60.6100.7-161.37113.9H147 D174 Q236 E237 L238 F382H147-R234 PolarHBondContact O-NH2 3.37Å; D174-R234 VanDerWaalsContact CG-NH1 3.3Å; D174-R234 IonicContact OD1-NH1 3.25Å; D174-R234 PolarHBondContact OD1-NH1 3.07Å; D174-R234 IonicContact OD2-CZ 3.79Å; D174-R234 IonicContact OD2-NH1 3.27Å; D174-R234 PolarHBondContact OD2-NH1 3.48Å; D174-R234 IonicContact OD2-NH2 3.35Å; D174-R234 PolarHBondContact OD2-NH2 3.13Å; R234-Q236 PolarHBondContact O-N 3.33Å; R234-E237 PolarHBondContact O-N 3.33Å; R234-L238 WeakPolarHBondContact O-CG 3.23Å; R234-L238 PolarHBondContact O-N 3.15Å; R234-L238 VanDerWaalsContact O-N 3.13Å; R234-F382 WeakPolarHBondContact CD-O 3.37Å
235A90.7Very high92.4Very high0 Ų014.3 Ų14.30%07%0.067CC..Hα-helixtrans-55.9-41.5175.800000111.4V229 F230 G233 E237 L238 L239 Y259 L315V229-A235 HydrophobicContact CB-CB 4.09Å; V229-A235 HydrophobicContact CG2-CB 3.79Å; F230-A235 WeakPolarHBondContact O-CB 3.46Å; G233-A235 VanDerWaalsContact C-N 3.29Å; G233-A235 PolarHBondContact O-N 3.06Å; A235-E237 PolarHBondContact O-N 2.91Å; A235-L238 PolarHBondContact O-N 3.34Å; A235-L239 WeakPolarHBondContact O-CB 3.46Å; A235-L239 WeakPolarHBondContact O-CG 3.29Å; A235-L239 PolarHBondContact O-N 3.03Å; A235-Y259 HydrophobicContact CB-CE2 3.99Å; A235-L315 HydrophobicContact CB-CD2 4.49Å
236Q90.9Very high92.3Very high0 Ų014.5 Ų14.50%07%0.067CC..Hα-helixtrans-67.5-37.2-177.9-71.374.119.800112.3A231 G233 R234 L240 M268 Y271 F292A231-Q236 PolarHBondContact O-NE2 3.38Å; A231-Q236 VanDerWaalsContact O-NE2 3.15Å; G233-Q236 VanDerWaalsContact C-OE1 3.28Å; G233-Q236 PolarHBondContact O-N 3.05Å; G233-Q236 PolarHBondContact O-OE1 3.03Å; R234-Q236 PolarHBondContact O-N 3.33Å; Q236-L240 VanDerWaalsContact O-CG 3.31Å; Q236-L240 WeakPolarHBondContact O-CG 3.17Å; Q236-L240 PolarHBondContact O-N 3.29Å; Q236-L240 VanDerWaalsContact O-N 3.09Å; Q236-M268 HydrophobicContact CG-CE 4Å; Q236-Y271 HydrophobicContact CB-CE2 4.5Å; Q236-Y271 HydrophobicContact CG-CD2 4.18Å; Q236-Y271 HydrophobicContact CG-CE2 3.5Å; Q236-Y271 PolarHBondContact OE1-OH 3.47Å; Q236-F292 HydrophobicContact CB-CD1 4.46Å; Q236-F292 HydrophobicContact CB-CE1 4.09Å; Q236-F292 HydrophobicContact CG-CD1 4.4Å; Q236-F292 HydrophobicContact CG-CE1 4.34Å
237E92.9Very high92.1Very high4 Ų417.5 Ų17.52%0.0199%0.088CC..Hα-helixtrans-61.5-49.7173.5-172.663.8-168.600111.3R175 H176 R234 A235 L239 L240 I241R175-E237 WeakPolarHBondContact CB-OE1 3.47Å; R175-E237 WeakPolarHBondContact CB-OE2 3.16Å; R175-E237 WeakPolarHBondContact CD-OE1 3.49Å; R175-E237 WeakPolarHBondContact CG-OE1 3.49Å; R175-E237 PolarHBondContact N-OE1 3.38Å; R175-E237 PolarHBondContact N-OE2 2.94Å; H176-E237 IonicContact CE1-OE2 3.96Å; H176-E237 IonicContact CG-OE2 3.35Å; H176-E237 IonicContact ND1-OE2 3.77Å; H176-E237 PolarHBondContact ND1-OE2 3.09Å; R234-E237 PolarHBondContact O-N 3.33Å; A235-E237 PolarHBondContact O-N 2.91Å; E237-L239 VanDerWaalsContact C-N 3.34Å; E237-L239 PolarHBondContact O-N 2.91Å; E237-L240 PolarHBondContact O-N 3.05Å; E237-I241 HydrophobicContact CG-CD1 4.16Å; E237-I241 WeakPolarHBondContact O-CG1 3.46Å; E237-I241 PolarHBondContact O-N 3.39Å; E237-I241 VanDerWaalsContact O-N 3.07Å
238L95.7Very high91.9Very high0 Ų024.4 Ų24.40%012%0.118CC..Hα-helixtrans-64.7-38.8-179.1-62.9176.9000112F211 I227 V229 R234 A235 I241 L242 L315 A344 F382F211-L238 HydrophobicContact CE1-CD2 4.08Å; F211-L238 HydrophobicContact CE2-CD2 4.24Å; F211-L238 HydrophobicContact CZ-CB 4.43Å; F211-L238 HydrophobicContact CZ-CD2 3.9Å; I227-L238 HydrophobicContact CG2-CD1 3.94Å; V229-L238 HydrophobicContact CG1-CD1 3.86Å; R234-L238 WeakPolarHBondContact O-CG 3.23Å; R234-L238 PolarHBondContact O-N 3.15Å; R234-L238 VanDerWaalsContact O-N 3.13Å; A235-L238 PolarHBondContact O-N 3.34Å; L238-I241 HydrophobicContact CD2-CD1 4.49Å; L238-I241 PolarHBondContact O-N 2.89Å; L238-L242 WeakPolarHBondContact O-CB 3.42Å; L238-L242 VanDerWaalsContact O-CG 3.29Å; L238-L242 WeakPolarHBondContact O-CG 3.28Å; L238-L242 PolarHBondContact O-N 3.06Å; L238-L315 HydrophobicContact CB-CD2 3.96Å; L238-A344 HydrophobicContact CD1-CB 3.68Å; L238-F382 HydrophobicContact CD2-CB 4.17Å; L238-F382 HydrophobicContact CD2-CD1 4Å; L238-F382 HydrophobicContact CD2-CD2 3.54Å; L238-F382 HydrophobicContact CD2-CE1 4.27Å; L238-F382 HydrophobicContact CD2-CE2 3.82Å; L238-F382 HydrophobicContact CD2-CG 3.63Å; L238-F382 HydrophobicContact CD2-CZ 4.18Å
239L94.5Very high91.8Very high0 Ų025.4 Ų25.40%013%0.125CC..Hα-helixtrans-65-38.5176.1-68.7171.6000112.1A235 E237 L242 D243 I257 Y259 F294 V297 L315A235-L239 WeakPolarHBondContact O-CB 3.46Å; A235-L239 WeakPolarHBondContact O-CG 3.29Å; A235-L239 PolarHBondContact O-N 3.03Å; E237-L239 VanDerWaalsContact C-N 3.34Å; E237-L239 PolarHBondContact O-N 2.91Å; L239-L242 PolarHBondContact O-N 3.18Å; L239-D243 VanDerWaalsContact O-CB 3.28Å; L239-D243 WeakPolarHBondContact O-CB 2.95Å; L239-D243 PolarHBondContact O-N 3.09Å; L239-I257 HydrophobicContact CD2-CG2 4.38Å; L239-Y259 HydrophobicContact CD1-CD1 3.63Å; L239-Y259 HydrophobicContact CD1-CD2 4.3Å; L239-Y259 HydrophobicContact CD1-CE1 4.17Å; L239-Y259 HydrophobicContact CD1-CG 3.74Å; L239-F294 HydrophobicContact CB-CD1 4.43Å; L239-F294 HydrophobicContact CB-CD2 4.31Å; L239-F294 HydrophobicContact CB-CE1 3.8Å; L239-F294 HydrophobicContact CB-CE2 3.69Å; L239-F294 HydrophobicContact CB-CZ 3.4Å; L239-F294 HydrophobicContact CD1-CD2 4.39Å; L239-F294 HydrophobicContact CD1-CE2 3.71Å; L239-F294 HydrophobicContact CD1-CZ 4.17Å; L239-F294 HydrophobicContact CG-CE2 4.29Å; L239-F294 HydrophobicContact CG-CZ 4.42Å; L239-V297 HydrophobicContact CD2-CG1 3.81Å; L239-V297 HydrophobicContact CD2-CG2 3.89Å; L239-L315 HydrophobicContact CD2-CD1 3.88Å; L239-L315 HydrophobicContact CD2-CD2 3.73Å; L239-L315 HydrophobicContact CD2-CG 4.33Å; L239-L315 HydrophobicContact CG-CD2 3.8Å
240L93Very high91.6Very high23 Ų2331.7 Ų31.712%0.1215%0.154CC..Hα-helixtrans-63.2-43.2174.2-73.4164.8000111.5R175 H176 Q236 E237 E244 F292 F294R175-L240 HydrophobicContact CB-CD1 3.96Å; H176-L240 HydrophobicContact CB-CD1 3.93Å; Q236-L240 VanDerWaalsContact O-CG 3.31Å; Q236-L240 WeakPolarHBondContact O-CG 3.17Å; Q236-L240 PolarHBondContact O-N 3.29Å; Q236-L240 VanDerWaalsContact O-N 3.09Å; E237-L240 PolarHBondContact O-N 3.05Å; L240-E244 WeakPolarHBondContact O-CB 3.48Å; L240-E244 PolarHBondContact O-N 2.9Å; L240-E244 VanDerWaalsContact O-N 3.13Å; L240-F292 HydrophobicContact CD1-CE1 4.19Å; L240-F294 HydrophobicContact CD2-CE1 3.78Å; L240-F294 HydrophobicContact CG-CE1 3.94Å; L240-F294 HydrophobicContact CG-CZ 4.39Å
241I95.7Very high91.9Very high4 Ų432.7 Ų32.72%0.02116%0.16CC..Hα-helixtrans-62.8-47.4176.8-65.2160.8000110.5R175 E208 F211 T212 E237 L238 Y245 F382R175-I241 VanDerWaalsContact NE-CG1 3.31Å; E208-I241 HydrophobicContact CG-CD1 3.96Å; E208-I241 HydrophobicContact CG-CG1 4.33Å; F211-I241 HydrophobicContact CD1-CG2 3.89Å; F211-I241 HydrophobicContact CE1-CB 4.48Å; F211-I241 HydrophobicContact CE1-CG2 4.08Å; T212-I241 HydrophobicContact CG2-CG2 3.89Å; E237-I241 HydrophobicContact CG-CD1 4.16Å; E237-I241 WeakPolarHBondContact O-CG1 3.46Å; E237-I241 PolarHBondContact O-N 3.39Å; E237-I241 VanDerWaalsContact O-N 3.07Å; L238-I241 HydrophobicContact CD2-CD1 4.49Å; L238-I241 PolarHBondContact O-N 2.89Å; I241-Y245 VanDerWaalsContact O-CB 3.32Å; I241-Y245 WeakPolarHBondContact O-CB 3.21Å; I241-Y245 PolarHBondContact O-N 3Å; I241-F382 HydrophobicContact CD1-CD1 4.08Å; I241-F382 HydrophobicContact CD1-CE1 3.51Å; I241-F382 HydrophobicContact CD1-CZ 4.19Å
242L97.2Very high92.7Very high0 Ų032.3 Ų32.30%016%0.157CC..Hα-helixtrans-66.7-43.1-178.7-71.2172.3000112.4F211 V215 I227 L238 L239 E244 Y245 W246 I257 V313 L315F211-L242 HydrophobicContact CE1-CD1 4.46Å; F211-L242 HydrophobicContact CE1-CD2 3.75Å; F211-L242 HydrophobicContact CE1-CG 3.84Å; F211-L242 HydrophobicContact CZ-CD1 4.19Å; F211-L242 HydrophobicContact CZ-CD2 3.99Å; F211-L242 HydrophobicContact CZ-CG 4.06Å; V215-L242 HydrophobicContact CG1-CD2 4.09Å; V215-L242 HydrophobicContact CG2-CD2 4.34Å; I227-L242 HydrophobicContact CD1-CD1 4.31Å; L238-L242 WeakPolarHBondContact O-CB 3.42Å; L238-L242 VanDerWaalsContact O-CG 3.29Å; L238-L242 WeakPolarHBondContact O-CG 3.28Å; L238-L242 PolarHBondContact O-N 3.06Å; L239-L242 PolarHBondContact O-N 3.18Å; L242-E244 VanDerWaalsContact C-N 3.34Å; L242-E244 PolarHBondContact O-N 2.75Å; L242-Y245 PolarHBondContact O-N 2.73Å; L242-W246 HydrophobicContact CD2-CE3 4.4Å; L242-W246 HydrophobicContact CD2-CZ3 3.89Å; L242-W246 WeakPolarHBondContact O-CB 3.47Å; L242-W246 PolarHBondContact O-N 3.37Å; L242-I257 HydrophobicContact CB-CD1 3.92Å; L242-I257 HydrophobicContact CD1-CG2 4.28Å; L242-V313 HydrophobicContact CD1-CG1 4.08Å; L242-L315 HydrophobicContact CD1-CD1 3.73Å
243D94.7Very high93.1Very high21 Ų2138.8 Ų38.811%0.11218%0.181CC..Hα-helixtrans-64.5-38.9179.2-165.263.9000111.5L239 S247 F294 K295 H296L239-D243 VanDerWaalsContact O-CB 3.28Å; L239-D243 WeakPolarHBondContact O-CB 2.95Å; L239-D243 PolarHBondContact O-N 3.09Å; D243-S247 WeakPolarHBondContact O-CB 3.28Å; D243-S247 PolarHBondContact O-N 3.04Å; D243-S247 VanDerWaalsContact O-N 3.08Å; D243-S247 PolarHBondContact O-OG 3.43Å; D243-F294 HydrophobicContact CB-CB 4.41Å; D243-F294 HydrophobicContact CB-CD1 3.77Å; D243-F294 HydrophobicContact CB-CG 4.49Å; D243-K295 PolarHBondContact OD1-N 2.99Å; D243-K295 PolarHBondContact OD2-N 3.41Å; D243-H296 IonicContact OD1-CD2 2.76Å; D243-H296 PolarHBondContact OD1-CD2 3.45Å; D243-H296 IonicContact OD1-CG 3.48Å; D243-H296 PolarHBondContact OD1-N 3.19Å
244E93.6Very high93.4Very high69 Ų6945.9 Ų45.932%0.32222%0.219SC..Hα-helixtrans-65.6-44.4172.8-172.9-173.7149.800111.6R175 L240 L242 S247 K248R175-E244 IonicContact CZ-OE2 3.67Å; R175-E244 VanDerWaalsContact CZ-OE2 3.27Å; R175-E244 IonicContact NH1-OE2 2.75Å; R175-E244 PolarHBondContact NH1-OE2 3.11Å; R175-E244 IonicContact NH2-OE2 3.64Å; R175-E244 PolarHBondContact NH2-OE2 3.07Å; R175-E244 VanDerWaalsContact NH2-OE2 3.13Å; L240-E244 WeakPolarHBondContact O-CB 3.48Å; L240-E244 PolarHBondContact O-N 2.9Å; L240-E244 VanDerWaalsContact O-N 3.13Å; L242-E244 VanDerWaalsContact C-N 3.34Å; L242-E244 PolarHBondContact O-N 2.75Å; E244-S247 WeakPolarHBondContact O-CB 3.48Å; E244-S247 PolarHBondContact O-N 2.65Å; E244-K248 HydrophobicContact CG-CD 4.48Å; E244-K248 WeakPolarHBondContact O-CG 3.3Å; E244-K248 PolarHBondContact O-N 3.47Å; E244-K248 WeakPolarHBondContact OE1-CE 3.36Å; E244-K248 IonicContact OE1-NZ 3.53Å; E244-K248 PolarHBondContact OE1-NZ 3.09Å
245Y96.5Very high93.8Very high40 Ų4045.5 Ų45.516%0.15722%0.219CC..Hα-helixtrans-64.8-45.3179.8-170.9-110.1000111.9T212 R216 I241 L242 S247 K248 C249 L252T212-Y245 HydrophobicContact CG2-CD1 3.95Å; T212-Y245 HydrophobicContact CG2-CD2 3.66Å; T212-Y245 HydrophobicContact CG2-CE1 4.4Å; T212-Y245 HydrophobicContact CG2-CE2 4.16Å; T212-Y245 HydrophobicContact CG2-CG 3.54Å; R216-Y245 HydrophobicContact CB-CE1 4.38Å; R216-Y245 WeakPolarHBondContact CD-OH 3.43Å; I241-Y245 VanDerWaalsContact O-CB 3.32Å; I241-Y245 WeakPolarHBondContact O-CB 3.21Å; I241-Y245 PolarHBondContact O-N 3Å; L242-Y245 PolarHBondContact O-N 2.73Å; Y245-S247 VanDerWaalsContact C-N 3.27Å; Y245-S247 PolarHBondContact O-N 3.44Å; Y245-K248 PolarHBondContact O-N 3.31Å; Y245-C249 PolarHBondContact O-N 2.99Å; Y245-C249 VanDerWaalsContact O-N 3.13Å; Y245-L252 HydrophobicContact CD1-CD1 3.95Å; Y245-L252 HydrophobicContact CE1-CD1 3.55Å
246W96.6Very high94Very high4 Ų446.8 Ų46.82%0.01523%0.228CC..Hα-helixtrans-61.3-35.4175.1-105.3-116.9000112.5V215 V219 L242 K248 C249 L252 I255 I257 H296 V313V215-W246 HydrophobicContact CG1-CH2 3.78Å; V215-W246 HydrophobicContact CG1-CZ3 4Å; V219-W246 HydrophobicContact CG2-CH2 4.45Å; L242-W246 HydrophobicContact CD2-CE3 4.4Å; L242-W246 HydrophobicContact CD2-CZ3 3.89Å; L242-W246 WeakPolarHBondContact O-CB 3.47Å; L242-W246 PolarHBondContact O-N 3.37Å; W246-K248 PolarHBondContact O-N 3.16Å; W246-C249 PolarHBondContact O-N 3.36Å; W246-L252 HydrophobicContact CD2-CB 4.03Å; W246-L252 HydrophobicContact CD2-CD1 4.27Å; W246-L252 HydrophobicContact CE3-CD1 3.98Å; W246-L252 HydrophobicContact CG-CB 4.4Å; W246-L252 HydrophobicContact CH2-CD1 3.85Å; W246-L252 HydrophobicContact CZ2-CB 3.96Å; W246-L252 HydrophobicContact CZ2-CD1 4.15Å; W246-L252 HydrophobicContact CZ3-CD1 3.76Å; W246-L252 PolarHBondContact NE1-O 3Å; W246-I255 HydrophobicContact CZ2-CB 4.29Å; W246-I255 HydrophobicContact CZ2-CG2 4.18Å; W246-I255 PolarHBondContact NE1-O 3.12Å; W246-I257 HydrophobicContact CB-CD1 4.35Å; W246-I257 HydrophobicContact CD2-CD1 3.45Å; W246-I257 VanDerWaalsContact CD2-CD1 3.45Å; W246-I257 HydrophobicContact CD2-CG1 4.1Å; W246-I257 HydrophobicContact CE3-CD1 3.81Å; W246-I257 HydrophobicContact CG-CD1 3.69Å; W246-I257 HydrophobicContact CH2-CG1 4.41Å; W246-I257 HydrophobicContact CZ2-CD1 4.23Å; W246-I257 HydrophobicContact CZ2-CG1 3.96Å; W246-I257 HydrophobicContact CZ3-CD1 4.34Å; W246-H296 HydrophobicContact CB-CB 3.88Å; W246-H296 HydrophobicContact CG-CB 4.12Å; W246-V313 HydrophobicContact CH2-CG2 3.66Å; W246-V313 HydrophobicContact CZ2-CG2 4Å
247S94.3Very high94.3Very high63 Ų6346.8 Ų46.844%0.44123%0.228SC..Hα-helixtrans-63.7-23.9175.4-650000112.8D243 E244 Y245 H296D243-S247 WeakPolarHBondContact O-CB 3.28Å; D243-S247 PolarHBondContact O-N 3.04Å; D243-S247 VanDerWaalsContact O-N 3.08Å; D243-S247 PolarHBondContact O-OG 3.43Å; E244-S247 WeakPolarHBondContact O-CB 3.48Å; E244-S247 PolarHBondContact O-N 2.65Å; Y245-S247 VanDerWaalsContact C-N 3.27Å; Y245-S247 PolarHBondContact O-N 3.44Å; S247-H296 PolarHBondContact OG-NE2 3.32Å
248K95Very high94.3Very high145 Ų14548 Ų4863%0.6323%0.232SC*.Hα-helixtrans-97.7-17.5-177.8-67.7171.4175.7176.90113.6E244 Y245 W246E244-K248 HydrophobicContact CG-CD 4.48Å; E244-K248 WeakPolarHBondContact O-CG 3.3Å; E244-K248 PolarHBondContact O-N 3.47Å; E244-K248 WeakPolarHBondContact OE1-CE 3.36Å; E244-K248 IonicContact OE1-NZ 3.53Å; E244-K248 PolarHBondContact OE1-NZ 3.09Å; Y245-K248 PolarHBondContact O-N 3.31Å; W246-K248 PolarHBondContact O-N 3.16Å
249C93.4Very high94.2Very high27 Ų2748 Ų4818%0.18223%0.232CC..  trans-11697.8-173.5-68.10000111.5Y245 W246 E251 L252Y245-C249 PolarHBondContact O-N 2.99Å; Y245-C249 VanDerWaalsContact O-N 3.13Å; W246-C249 PolarHBondContact O-N 3.36Å; C249-E251 VanDerWaalsContact C-N 3.27Å; C249-E251 PolarHBondContact O-N 3.47Å; C249-L252 HydrophobicContact CB-CB 4.38Å; C249-L252 HydrophobicContact CB-CD1 4.03Å; C249-L252 HydrophobicContact CB-CG 4.06Å; C249-L252 PolarHBondContact O-N 3.45Å; C249-L252 VanDerWaalsContact O-N 3.13Å
250E90.7Very high93.9Very high139 Ų13948 Ų4865%0.6523%0.232SC*.G310 helixtrans-60.7-34.3-179.1-62.6-154.2127.500113.5L252 R253E250-L252 PolarHBondContact O-N 3.47Å; E250-L252 VanDerWaalsContact O-N 3.17Å; E250-R253 WeakPolarHBondContact O-CB 3.16Å; E250-R253 PolarHBondContact O-N 3.37Å; E250-R253 VanDerWaalsContact O-N 3.1Å; E250-R253 IonicContact OE1-CZ 3.47Å; E250-R253 IonicContact OE1-NH1 3.53Å; E250-R253 PolarHBondContact OE1-NH1 3.31Å; E250-R253 IonicContact OE1-NH2 3.31Å; E250-R253 PolarHBondContact OE1-NH2 2.92Å
251E92.8Very high93.5Very high107 Ų10747.1 Ų47.150%0.523%0.228SC..G310 helixtrans-61.4-22.5178.363.5170.1-143.700113.7R216 C249R216-E251 IonicContact CZ-OE1 3.14Å; R216-E251 IonicContact CZ-OE2 3.88Å; R216-E251 IonicContact NE-OE1 2.64Å; R216-E251 PolarHBondContact NE-OE1 3.08Å; R216-E251 VanDerWaalsContact NH2-CD 3.28Å; R216-E251 IonicContact NH2-OE1 2.94Å; R216-E251 PolarHBondContact NH2-OE1 3.02Å; R216-E251 IonicContact NH2-OE2 2.92Å; R216-E251 PolarHBondContact NH2-OE2 3.4Å; C249-E251 VanDerWaalsContact C-N 3.27Å; C249-E251 PolarHBondContact O-N 3.47Å
252L95.2Very high92.6Very high0 Ų049.7 Ų49.70%025%0.246CC..G310 helixtrans-96.1-6.7-179.5-56.6-176.1000112.3R216 V219 T220 Y245 W246 C249 E250 D254 I255R216-L252 HydrophobicContact CG-CD1 4.5Å; R216-L252 HydrophobicContact CG-CD2 4.43Å; V219-L252 HydrophobicContact CG2-CD2 3.86Å; T220-L252 HydrophobicContact CG2-CD2 3.89Å; Y245-L252 HydrophobicContact CD1-CD1 3.95Å; Y245-L252 HydrophobicContact CE1-CD1 3.55Å; W246-L252 HydrophobicContact CD2-CB 4.03Å; W246-L252 HydrophobicContact CD2-CD1 4.27Å; W246-L252 HydrophobicContact CE3-CD1 3.98Å; W246-L252 HydrophobicContact CG-CB 4.4Å; W246-L252 HydrophobicContact CH2-CD1 3.85Å; W246-L252 HydrophobicContact CZ2-CB 3.96Å; W246-L252 HydrophobicContact CZ2-CD1 4.15Å; W246-L252 HydrophobicContact CZ3-CD1 3.76Å; W246-L252 PolarHBondContact NE1-O 3Å; C249-L252 HydrophobicContact CB-CB 4.38Å; C249-L252 HydrophobicContact CB-CD1 4.03Å; C249-L252 HydrophobicContact CB-CG 4.06Å; C249-L252 PolarHBondContact O-N 3.45Å; C249-L252 VanDerWaalsContact O-N 3.13Å; E250-L252 PolarHBondContact O-N 3.47Å; E250-L252 VanDerWaalsContact O-N 3.17Å; L252-D254 PolarHBondContact O-N 2.87Å; L252-D254 VanDerWaalsContact O-N 3.09Å; L252-I255 HydrophobicContact CD2-CD1 4Å; L252-I255 WeakPolarHBondContact O-CB 3.3Å; L252-I255 PolarHBondContact O-N 3.45Å
253R90.6Very high91.8Very high137 Ų13750.2 Ų50.252%0.51725%0.249SC..THydrogen-bonded Turntrans-53.8-37.2-169.9-178.4179.9-72.8156.71.8113.3E250E250-R253 WeakPolarHBondContact O-CB 3.16Å; E250-R253 PolarHBondContact O-N 3.37Å; E250-R253 VanDerWaalsContact O-N 3.1Å; E250-R253 IonicContact OE1-CZ 3.47Å; E250-R253 IonicContact OE1-NH1 3.53Å; E250-R253 PolarHBondContact OE1-NH1 3.31Å; E250-R253 IonicContact OE1-NH2 3.31Å; E250-R253 PolarHBondContact OE1-NH2 2.92Å
254D90.7Very high91Very high150 Ų15049.3 Ų49.380%0.80224%0.244SC*.THydrogen-bonded Turntrans-90.4-6.3-177.3-60.2-40.2000113.4L252 P256L252-D254 PolarHBondContact O-N 2.87Å; L252-D254 VanDerWaalsContact O-N 3.09Å; D254-P256 WeakPolarHBondContact O-CD 3.41Å
255I95.7Very high90.1Very high22 Ų2254 Ų5411%0.11326%0.259CS..SBendtrans-86.1116.1176.9-58.3-176.1000108.3V219 W246 L252 P311V219-I255 HydrophobicContact CB-CD1 3.86Å; V219-I255 HydrophobicContact CB-CG2 3.93Å; V219-I255 HydrophobicContact CG1-CG2 4.12Å; V219-I255 HydrophobicContact CG2-CD1 3.74Å; V219-I255 HydrophobicContact CG2-CG2 4.29Å; W246-I255 HydrophobicContact CZ2-CB 4.29Å; W246-I255 HydrophobicContact CZ2-CG2 4.18Å; W246-I255 PolarHBondContact NE1-O 3.12Å; L252-I255 HydrophobicContact CD2-CD1 4Å; L252-I255 WeakPolarHBondContact O-CB 3.3Å; L252-I255 PolarHBondContact O-N 3.45Å; I255-P311 HydrophobicContact CD1-CG 4.23Å; I255-P311 HydrophobicContact CG1-CG 4.31Å; I255-P311 HydrophobicContact CG2-CB 4.42Å
256P95Very high89.3Confident28 Ų2858 Ų5818%0.18228%0.277CS..PPolyproline II helixtrans-73.8140.7-175.129.9-35.6000112.2D254 Y258 C312 V313D254-P256 WeakPolarHBondContact O-CD 3.41Å; P256-Y258 HydrophobicContact CB-CD2 4.2Å; P256-Y258 HydrophobicContact CB-CE1 4.47Å; P256-Y258 HydrophobicContact CB-CE2 3.48Å; P256-Y258 VanDerWaalsContact CB-CE2 3.48Å; P256-Y258 HydrophobicContact CG-CD2 4.39Å; P256-Y258 HydrophobicContact CG-CE2 3.45Å; P256-Y258 VanDerWaalsContact CG-CE2 3.45Å; P256-C312 HydrophobicContact CG-CB 3.86Å; P256-C312 WeakPolarHBondContact O-CA 3.31Å; P256-V313 PolarHBondContact O-N 3Å
257I95.7Very high88.3Confident0 Ų057.8 Ų57.80%028%0.277CS..EExtended strand (participates in β ladder)trans-101.8129.3163.6-56.7159.4000107.9L239 L242 W246 H296 V297 K298 V313 L315L239-I257 HydrophobicContact CD2-CG2 4.38Å; L242-I257 HydrophobicContact CB-CD1 3.92Å; L242-I257 HydrophobicContact CD1-CG2 4.28Å; W246-I257 HydrophobicContact CB-CD1 4.35Å; W246-I257 HydrophobicContact CD2-CD1 3.45Å; W246-I257 VanDerWaalsContact CD2-CD1 3.45Å; W246-I257 HydrophobicContact CD2-CG1 4.1Å; W246-I257 HydrophobicContact CE3-CD1 3.81Å; W246-I257 HydrophobicContact CG-CD1 3.69Å; W246-I257 HydrophobicContact CH2-CG1 4.41Å; W246-I257 HydrophobicContact CZ2-CD1 4.23Å; W246-I257 HydrophobicContact CZ2-CG1 3.96Å; W246-I257 HydrophobicContact CZ3-CD1 4.34Å; I257-H296 HydrophobicContact CD1-CB 4.22Å; I257-V297 HydrophobicContact CB-CG2 4.26Å; I257-V297 HydrophobicContact CG2-CG1 4.38Å; I257-V297 HydrophobicContact CG2-CG2 4Å; I257-V297 CarbonylContact O-C 3.54Å; I257-V297 WeakPolarHBondContact O-CA 3.47Å; I257-K298 PolarHBondContact O-N 3.4Å; I257-V313 CarbonylContact C-O 3.55Å; I257-V313 WeakPolarHBondContact CA-O 3.2Å; I257-V313 HydrophobicContact CG1-CB 4.18Å; I257-V313 HydrophobicContact CG1-CG2 4.4Å; I257-V313 HydrophobicContact CG2-CB 4.31Å; I257-V313 HydrophobicContact CG2-CG1 4.49Å; I257-L315 HydrophobicContact CG2-CD1 4.24Å
258Y94.1Very high87.4Confident30 Ų3055.5 Ų55.512%0.11826%0.259CS..EExtended strand (participates in β ladder)trans-114.8132.7176.4-61.9-80.3000110.9P256 K298 L300 F306 C312 V313 V314 L315P256-Y258 HydrophobicContact CB-CD2 4.2Å; P256-Y258 HydrophobicContact CB-CE1 4.47Å; P256-Y258 HydrophobicContact CB-CE2 3.48Å; P256-Y258 VanDerWaalsContact CB-CE2 3.48Å; P256-Y258 HydrophobicContact CG-CD2 4.39Å; P256-Y258 HydrophobicContact CG-CE2 3.45Å; P256-Y258 VanDerWaalsContact CG-CE2 3.45Å; Y258-K298 CarbonylContact C-O 3.38Å; Y258-K298 VanDerWaalsContact CA-O 3.29Å; Y258-K298 WeakPolarHBondContact CA-O 3.32Å; Y258-K298 HydrophobicContact CD1-CB 3.73Å; Y258-K298 HydrophobicContact CE1-CB 3.92Å; Y258-K298 HydrophobicContact CE1-CD 3.93Å; Y258-L300 HydrophobicContact CD1-CD1 3.41Å; Y258-L300 VanDerWaalsContact CD1-CD1 3.41Å; Y258-L300 HydrophobicContact CD1-CD2 3.77Å; Y258-L300 HydrophobicContact CD1-CG 3.48Å; Y258-L300 VanDerWaalsContact CD1-CG 3.48Å; Y258-L300 HydrophobicContact CD2-CD1 4.37Å; Y258-L300 HydrophobicContact CE1-CD1 4.1Å; Y258-L300 HydrophobicContact CE1-CD2 3.97Å; Y258-L300 HydrophobicContact CE1-CG 4.19Å; Y258-L300 HydrophobicContact CG-CD1 3.54Å; Y258-L300 HydrophobicContact CG-CG 4.05Å; Y258-F306 HydrophobicContact CD2-CD2 4.37Å; Y258-F306 AromaticContact CD2-CE2 3.87Å; Y258-F306 HydrophobicContact CD2-CE2 3.87Å; Y258-F306 HydrophobicContact CE2-CD2 4.2Å; Y258-F306 AromaticContact CE2-CE2 3.68Å; Y258-F306 HydrophobicContact CE2-CE2 3.68Å; Y258-C312 HydrophobicContact CD2-CB 4.16Å; Y258-C312 HydrophobicContact CE2-CB 3.99Å; Y258-V313 PolarHBondContact N-O 3.5Å; Y258-V314 HydrophobicContact CD2-CG2 4.03Å; Y258-V314 WeakPolarHBondContact O-CA 3.48Å; Y258-L315 PolarHBondContact O-N 3.48Å
259Y92.5Very high86.7Confident0 Ų051.4 Ų51.40%025%0.249CC..EExtended strand (participates in β ladder)trans-103.3104.4163-175.7-148.9000109.5V229 A231 A235 L239 A264 K298 Y299 L300 L315V229-Y259 HydrophobicContact CG2-CE2 4.4Å; A231-Y259 VanDerWaalsContact CA-OH 3.24Å; A231-Y259 WeakPolarHBondContact CA-OH 3.35Å; A231-Y259 PolarHBondContact O-OH 3.07Å; A235-Y259 HydrophobicContact CB-CE2 3.99Å; L239-Y259 HydrophobicContact CD1-CD1 3.63Å; L239-Y259 HydrophobicContact CD1-CD2 4.3Å; L239-Y259 HydrophobicContact CD1-CE1 4.17Å; L239-Y259 HydrophobicContact CD1-CG 3.74Å; Y259-A264 HydrophobicContact CD1-CB 3.55Å; Y259-A264 HydrophobicContact CE1-CB 3.39Å; Y259-A264 HydrophobicContact CG-CB 4.27Å; Y259-K298 PolarHBondContact N-O 2.97Å; Y259-Y299 HydrophobicContact CD1-CD1 4Å; Y259-Y299 AromaticContact CD1-CE1 3.75Å; Y259-Y299 HydrophobicContact CD1-CE1 3.75Å; Y259-Y299 WeakPolarHBondContact O-CA 3.24Å; Y259-L300 PolarHBondContact O-N 3.07Å; Y259-L315 HydrophobicContact CD2-CB 3.92Å
260A89.4Confident86.2Confident0 Ų050.6 Ų50.60%024%0.243CC..EExtended strand (participates in β ladder)trans-107.789.4-167.800000110.5L300 V314 L315 A316 T317 L325A260-L300 WeakPolarHBondContact CA-O 3.26Å; A260-L300 HydrophobicContact CB-CB 3.92Å; A260-L300 HydrophobicContact CB-CD1 4.25Å; A260-V314 HydrophobicContact CB-CG1 3.79Å; A260-L315 PolarHBondContact N-O 2.75Å; A260-A316 HydrophobicContact CB-CB 4.35Å; A260-A316 WeakPolarHBondContact O-CA 3.3Å; A260-T317 PolarHBondContact O-N 3.13Å; A260-L325 HydrophobicContact CB-CD2 3.5Å; A260-L325 HydrophobicContact CB-CG 4.49Å
261S83.9Confident85.7Confident4 Ų444 Ų443%0.02821%0.212CC..  trans-150.6135.9177.2173.40000110.4L263 A264 L300S261-L263 PolarHBondContact O-N 3.38Å; S261-L263 VanDerWaalsContact O-N 3.16Å; S261-L263 PolarHBondContact OG-N 3.39Å; S261-A264 WeakPolarHBondContact O-CB 3.47Å; S261-A264 PolarHBondContact O-N 2.88Å; S261-A264 VanDerWaalsContact O-N 3.07Å; S261-L300 PolarHBondContact N-O 3.36Å; S261-L300 VanDerWaalsContact N-O 3.16Å
262S76.5Confident85.2Confident58 Ų5843.5 Ų43.541%0.40621%0.21SC..THydrogen-bonded Turntrans-50.1-34.717051.50000112.2D98D98-S262 PolarHBondContact OD1-OG 3.34Å
263L82Confident84.8Confident10 Ų1048.2 Ų48.25%0.05224%0.239CC..THydrogen-bonded Turntrans-91.3-14.7-177.2-68.6-177000113.8M94 I95 D98 A231 S261 R265 K266 C267M94-L263 HydrophobicContact CB-CD2 4.42Å; M94-L263 HydrophobicContact CE-CD2 4.47Å; I95-L263 HydrophobicContact CD1-CD1 3.94Å; D98-L263 HydrophobicContact CB-CD1 3.53Å; D98-L263 HydrophobicContact CB-CD2 4.09Å; D98-L263 HydrophobicContact CB-CG 3.82Å; A231-L263 HydrophobicContact CB-CB 4.05Å; A231-L263 HydrophobicContact CB-CD1 4.06Å; S261-L263 PolarHBondContact O-N 3.38Å; S261-L263 VanDerWaalsContact O-N 3.16Å; S261-L263 PolarHBondContact OG-N 3.39Å; L263-R265 VanDerWaalsContact C-N 3.3Å; L263-R265 PolarHBondContact O-N 3.01Å; L263-K266 HydrophobicContact CD2-CD 4.46Å; L263-K266 PolarHBondContact O-N 3.36Å; L263-C267 VanDerWaalsContact C-SG 3.55Å; L263-C267 VanDerWaalsContact CB-SG 3.59Å; L263-C267 PolarHBondContact O-N 2.63Å; L263-C267 PolarHBondContact O-SG 2.91Å
264A76.2Confident84.6Confident2 Ų243.8 Ų43.82%0.01722%0.223CC..Hα-helixtrans-47.4-46.9-166.900000114.2Y259 S261 C267 M268 Y299Y259-A264 HydrophobicContact CD1-CB 3.55Å; Y259-A264 HydrophobicContact CE1-CB 3.39Å; Y259-A264 HydrophobicContact CG-CB 4.27Å; S261-A264 WeakPolarHBondContact O-CB 3.47Å; S261-A264 PolarHBondContact O-N 2.88Å; S261-A264 VanDerWaalsContact O-N 3.07Å; A264-C267 WeakPolarHBondContact O-CB 3.19Å; A264-C267 PolarHBondContact O-N 2.81Å; A264-M268 WeakPolarHBondContact O-CG 3.23Å; A264-M268 PolarHBondContact O-N 3.29Å; A264-Y299 HydrophobicContact CB-CD1 3.73Å; A264-Y299 HydrophobicContact CB-CE1 4.17Å
265R75.4Confident84.4Confident168 Ų16837.3 Ų37.363%0.63419%0.189SC*.Hα-helixtrans-69.6-40.6179.5-71.8-176.866.4111.70.8113.3L263 C267 M268L263-R265 VanDerWaalsContact C-N 3.3Å; L263-R265 PolarHBondContact O-N 3.01Å; R265-C267 VanDerWaalsContact C-N 3.29Å; R265-M268 PolarHBondContact O-N 3.32Å
266K79.9Confident83.8Confident124 Ų12441.1 Ų41.154%0.53922%0.218SC..Hα-helixtrans-66.5-37.2177.5-67-178.2178.9177.60110.3M94 L263 M268 S269 V270M94-K266 HydrophobicContact CE-CB 3.4Å; M94-K266 HydrophobicContact SD-CB 4.22Å; L263-K266 HydrophobicContact CD2-CD 4.46Å; L263-K266 PolarHBondContact O-N 3.36Å; K266-M268 VanDerWaalsContact C-N 3.27Å; K266-M268 PolarHBondContact O-N 3.17Å; K266-S269 PolarHBondContact O-N 2.92Å; K266-S269 PolarHBondContact O-OG 3.42Å; K266-V270 PolarHBondContact O-N 3.05Å
267C75.7Confident83.3Confident0 Ų041.1 Ų41.10%022%0.223CC..Hα-helixtrans-56.1-42.3175.1-66.10000111.7L232 L263 A264 R265 S269 V270 Y271L232-C267 HydrophobicContact CD1-CB 4.47Å; L232-C267 HydrophobicContact CD2-CB 3.33Å; L232-C267 WeakPolarHBondContact CD2-SG 3.22Å; L232-C267 HydrophobicContact CG-CB 3.96Å; L232-C267 WeakPolarHBondContact CG-SG 3.43Å; L263-C267 VanDerWaalsContact C-SG 3.55Å; L263-C267 VanDerWaalsContact CB-SG 3.59Å; L263-C267 PolarHBondContact O-N 2.63Å; L263-C267 PolarHBondContact O-SG 2.91Å; A264-C267 WeakPolarHBondContact O-CB 3.19Å; A264-C267 PolarHBondContact O-N 2.81Å; R265-C267 VanDerWaalsContact C-N 3.29Å; C267-S269 VanDerWaalsContact C-N 3.35Å; C267-S269 PolarHBondContact O-N 3.25Å; C267-V270 WeakPolarHBondContact O-CB 3.12Å; C267-V270 PolarHBondContact O-N 2.79Å; C267-V270 VanDerWaalsContact O-N 3.13Å; C267-Y271 WeakPolarHBondContact O-CD2 3.45Å; C267-Y271 PolarHBondContact O-N 3.48Å
268M75.9Confident83Confident15 Ų1541.3 Ų41.37%0.07422%0.224CC..Hα-helixtrans-63.4-38.2-179.2-63.3-54.796.100112.9Q236 A264 R265 K266 V270 Y271 Q272 F292 Y299Q236-M268 HydrophobicContact CG-CE 4Å; A264-M268 WeakPolarHBondContact O-CG 3.23Å; A264-M268 PolarHBondContact O-N 3.29Å; R265-M268 PolarHBondContact O-N 3.32Å; K266-M268 VanDerWaalsContact C-N 3.27Å; K266-M268 PolarHBondContact O-N 3.17Å; M268-V270 VanDerWaalsContact C-N 3.27Å; M268-V270 PolarHBondContact O-N 2.9Å; M268-Y271 HydrophobicContact CE-CD2 4.21Å; M268-Y271 PolarHBondContact O-N 2.96Å; M268-Q272 WeakPolarHBondContact O-CG 3.3Å; M268-Q272 PolarHBondContact O-N 2.92Å; M268-Q272 VanDerWaalsContact O-N 3.13Å; M268-F292 HydrophobicContact SD-CB 3.54Å; M268-F292 VanDerWaalsContact SD-CB 3.54Å; M268-F292 HydrophobicContact SD-CG 4.26Å; M268-Y299 HydrophobicContact CG-CE1 4.24Å
269S80.3Confident82.8Confident59 Ų5940.2 Ų40.241%0.41322%0.22SC..Hα-helixtrans-65-32.2175.750.20000112.7K266 C267 Q272 T273K266-S269 PolarHBondContact O-N 2.92Å; K266-S269 PolarHBondContact O-OG 3.42Å; C267-S269 VanDerWaalsContact C-N 3.35Å; C267-S269 PolarHBondContact O-N 3.25Å; S269-Q272 PolarHBondContact O-N 3.11Å; S269-T273 PolarHBondContact O-N 2.91Å; S269-T273 VanDerWaalsContact O-N 3.09Å; S269-T273 PolarHBondContact O-OG1 3.37Å; S269-T273 VanDerWaalsContact O-OG1 3.09Å
270V81.8Confident82.7Confident10 Ų1043.5 Ų43.56%0.06124%0.243CC..Hα-helixtrans-66.5-46.2176.3177.50000110.7I91 M94 L149 K266 C267 M268 Q272 T273 F274I91-V270 HydrophobicContact CD1-CG1 3.82Å; I91-V270 HydrophobicContact CG1-CG1 3.56Å; M94-V270 HydrophobicContact CE-CG2 4.23Å; M94-V270 HydrophobicContact SD-CG2 3.6Å; M94-V270 VanDerWaalsContact SD-CG2 3.6Å; L149-V270 HydrophobicContact CD2-CG1 4.24Å; K266-V270 PolarHBondContact O-N 3.05Å; C267-V270 WeakPolarHBondContact O-CB 3.12Å; C267-V270 PolarHBondContact O-N 2.79Å; C267-V270 VanDerWaalsContact O-N 3.13Å; M268-V270 VanDerWaalsContact C-N 3.27Å; M268-V270 PolarHBondContact O-N 2.9Å; V270-Q272 PolarHBondContact O-N 3.15Å; V270-T273 PolarHBondContact O-N 2.82Å; V270-T273 VanDerWaalsContact O-N 3.08Å; V270-F274 HydrophobicContact CG1-CD2 3.67Å; V270-F274 HydrophobicContact CG1-CE2 4.01Å; V270-F274 WeakPolarHBondContact O-CD2 3.13Å; V270-F274 PolarHBondContact O-N 2.86Å
271Y81.2Confident82.7Confident0 Ų046 Ų460%026%0.26CS..Hα-helixtrans-60.2-35.5176.8-83.9-78.9000112.4L149 H176 L232 G233 Q236 C267 M268 V275 M278 F292L149-Y271 HydrophobicContact CB-CE1 4.25Å; L149-Y271 HydrophobicContact CD2-CD1 3.76Å; L149-Y271 HydrophobicContact CD2-CE1 3.92Å; L149-Y271 HydrophobicContact CD2-CG 4.23Å; H176-Y271 AromaticContact CD2-CE1 3.8Å; L232-Y271 HydrophobicContact CD2-CD2 4.07Å; L232-Y271 HydrophobicContact CD2-CE2 3.41Å; L232-Y271 VanDerWaalsContact CD2-CE2 3.41Å; G233-Y271 PolarHBondContact N-OH 2.94Å; Q236-Y271 HydrophobicContact CB-CE2 4.5Å; Q236-Y271 HydrophobicContact CG-CD2 4.18Å; Q236-Y271 HydrophobicContact CG-CE2 3.5Å; Q236-Y271 PolarHBondContact OE1-OH 3.47Å; C267-Y271 WeakPolarHBondContact O-CD2 3.45Å; C267-Y271 PolarHBondContact O-N 3.48Å; M268-Y271 HydrophobicContact CE-CD2 4.21Å; M268-Y271 PolarHBondContact O-N 2.96Å; Y271-V275 WeakPolarHBondContact O-CG2 3.37Å; Y271-M278 HydrophobicContact CD1-CE 4.11Å; Y271-M278 HydrophobicContact CD1-SD 3.62Å; Y271-M278 HydrophobicContact CE1-SD 4.17Å; Y271-M278 WeakPolarHBondContact O-CE 3.24Å; Y271-F292 HydrophobicContact CD1-CE1 4.45Å; Y271-F292 HydrophobicContact CD1-CE2 4.12Å; Y271-F292 AromaticContact CD1-CZ 3.87Å; Y271-F292 HydrophobicContact CD1-CZ 3.87Å; Y271-F292 HydrophobicContact CE1-CZ 4.42Å; Y271-F292 HydrophobicContact CG-CE2 4.21Å; Y271-F292 HydrophobicContact CG-CZ 4.25Å
272Q82.3Confident82.9Confident96 Ų9645.9 Ų45.945%0.44926%0.259SS..Hα-helixtrans-68.6-32.7174.4-70.6174.9-16.300113.4M268 S269 V270 V275 N290M268-Q272 WeakPolarHBondContact O-CG 3.3Å; M268-Q272 PolarHBondContact O-N 2.92Å; M268-Q272 VanDerWaalsContact O-N 3.13Å; S269-Q272 PolarHBondContact O-N 3.11Å; V270-Q272 PolarHBondContact O-N 3.15Å; Q272-V275 WeakPolarHBondContact O-CG2 3.4Å; Q272-N290 PolarHBondContact NE2-ND2 2.84Å
273T86Confident83.5Confident100 Ų10047.4 Ų47.461%0.61326%0.26SS*.Hα-helixtrans-75.5-41.2178.5-60.70000111.9S269 V270 V275S269-T273 PolarHBondContact O-N 2.91Å; S269-T273 VanDerWaalsContact O-N 3.09Å; S269-T273 PolarHBondContact O-OG1 3.37Å; S269-T273 VanDerWaalsContact O-OG1 3.09Å; V270-T273 PolarHBondContact O-N 2.82Å; V270-T273 VanDerWaalsContact O-N 3.08Å; T273-V275 PolarHBondContact O-N 3.34Å
274F87.3Confident83.8Confident43 Ų4354.3 Ų54.319%0.18929%0.29CS..SBendtrans-101.835.3-173-63.4-72.6000113.7H86 A87 A90 L149 V270 S276 G277H86-F274 HydrophobicContact CB-CE1 3.79Å; H86-F274 HydrophobicContact CB-CZ 4.35Å; A87-F274 HydrophobicContact CB-CB 4.24Å; A87-F274 HydrophobicContact CB-CD1 3.9Å; A87-F274 HydrophobicContact CB-CD2 3.95Å; A87-F274 HydrophobicContact CB-CE1 4.21Å; A87-F274 HydrophobicContact CB-CE2 4.26Å; A87-F274 HydrophobicContact CB-CG 3.76Å; A87-F274 HydrophobicContact CB-CZ 4.38Å; A90-F274 HydrophobicContact CB-CE2 3.66Å; A90-F274 HydrophobicContact CB-CZ 3.91Å; L149-F274 HydrophobicContact CD1-CB 4.19Å; L149-F274 HydrophobicContact CD2-CB 3.98Å; L149-F274 HydrophobicContact CG-CB 4.25Å; V270-F274 HydrophobicContact CG1-CD2 3.67Å; V270-F274 HydrophobicContact CG1-CE2 4.01Å; V270-F274 WeakPolarHBondContact O-CD2 3.13Å; V270-F274 PolarHBondContact O-N 2.86Å; F274-S276 VanDerWaalsContact C-N 3.25Å; F274-S276 PolarHBondContact O-N 3.13Å; F274-G277 PolarHBondContact O-N 3.47Å
275V85.9Confident84.2Confident15 Ų1558.3 Ų58.39%0.09131%0.308CS..G310 helixtrans-65-31.4-175.5-177.70000112.8Y271 Q272 T273 G277 M278 I282 Q283 I286Y271-V275 WeakPolarHBondContact O-CG2 3.37Å; Q272-V275 WeakPolarHBondContact O-CG2 3.4Å; T273-V275 PolarHBondContact O-N 3.34Å; V275-G277 PolarHBondContact O-N 2.94Å; V275-G277 VanDerWaalsContact O-N 3.15Å; V275-M278 VanDerWaalsContact CA-CE 3.49Å; V275-M278 HydrophobicContact CB-CE 3.93Å; V275-M278 HydrophobicContact CG1-CE 3.96Å; V275-M278 HydrophobicContact CG2-CE 3.8Å; V275-M278 WeakPolarHBondContact O-CB 3.47Å; V275-M278 PolarHBondContact O-N 2.96Å; V275-I282 HydrophobicContact CG1-CG2 4.21Å; V275-Q283 HydrophobicContact CG1-CG 4.22Å; V275-Q283 WeakPolarHBondContact O-CG 3.08Å; V275-I286 HydrophobicContact CB-CD1 4.39Å; V275-I286 HydrophobicContact CG1-CB 4.26Å; V275-I286 HydrophobicContact CG1-CD1 4.19Å; V275-I286 HydrophobicContact CG1-CG2 3.64Å; V275-I286 HydrophobicContact CG2-CD1 3.4Å; V275-I286 VanDerWaalsContact CG2-CD1 3.4Å
276S83.7Confident84.6Confident102 Ų10252.8 Ų52.871%0.71329%0.291SS*.G310 helixtrans-59.5-22173.752.50000113.4F274 Q283F274-S276 VanDerWaalsContact C-N 3.25Å; F274-S276 PolarHBondContact O-N 3.13Å; S276-Q283 PolarHBondContact O-NE2 2.85Å
277G84Confident84.6Confident28 Ų2851.2 Ų51.229%0.28930%0.301SS..G310 helixtrans-86.6-1.217500000114.8F274 V275F274-G277 PolarHBondContact O-N 3.47Å; V275-G277 PolarHBondContact O-N 2.94Å; V275-G277 VanDerWaalsContact O-N 3.15Å
278M89.5Confident84.8Confident3 Ų357.7 Ų57.72%0.01534%0.34CS..SBendtrans-97173.3178.8-73.8-169.2-80.500111.9L149 H176 L177 Y271 V275 I282 Q283 F292L149-M278 HydrophobicContact CD1-CG 3.97Å; H176-M278 HydrophobicContact CB-SD 4.49Å; H176-M278 WeakPolarHBondContact O-CB 3.32Å; H176-M278 WeakPolarHBondContact O-CG 3.08Å; L177-M278 HydrophobicContact CD2-CG 4.45Å; Y271-M278 HydrophobicContact CD1-CE 4.11Å; Y271-M278 HydrophobicContact CD1-SD 3.62Å; Y271-M278 HydrophobicContact CE1-SD 4.17Å; Y271-M278 WeakPolarHBondContact O-CE 3.24Å; V275-M278 VanDerWaalsContact CA-CE 3.49Å; V275-M278 HydrophobicContact CB-CE 3.93Å; V275-M278 HydrophobicContact CG1-CE 3.96Å; V275-M278 HydrophobicContact CG2-CE 3.8Å; V275-M278 WeakPolarHBondContact O-CB 3.47Å; V275-M278 PolarHBondContact O-N 2.96Å; M278-I282 HydrophobicContact CB-CB 4.12Å; M278-I282 HydrophobicContact CB-CG2 4Å; M278-I282 HydrophobicContact CE-CG2 3.57Å; M278-I282 HydrophobicContact CG-CG2 4.48Å; M278-I282 HydrophobicContact SD-CB 4.45Å; M278-I282 HydrophobicContact SD-CG2 3.66Å; M278-Q283 PolarHBondContact O-NE2 2.82Å; M278-F292 HydrophobicContact CE-CE2 3.84Å; M278-F292 HydrophobicContact CE-CZ 4.29Å; M278-F292 HydrophobicContact SD-CE2 3.87Å; M278-F292 HydrophobicContact SD-CZ 3.69Å
279N90.5Very high85.1Confident7 Ų762.3 Ų62.34%0.03736%0.357CS..  trans-67.7168.1-179.672.427.9000113.5E173 D174 R175 H176 C178 S281 I282 Q283E173-N279 HydrophobicContact CG-CB 4.34Å; E173-N279 VanDerWaalsContact OE1-CB 3.23Å; E173-N279 WeakPolarHBondContact OE1-CB 3.48Å; E173-N279 PolarHBondContact OE1-ND2 3.12Å; D174-N279 PolarHBondContact O-ND2 3.16Å; R175-N279 PolarHBondContact O-ND2 3.17Å; H176-N279 PolarHBondContact N-ND2 3.45Å; H176-N279 PolarHBondContact O-N 3.02Å; H176-N279 VanDerWaalsContact O-N 3.13Å; C178-N279 HydrophobicContact CB-CB 4.49Å; N279-S281 PolarHBondContact O-N 3.45Å; N279-S281 WeakPolarHBondContact OD1-CB 3.37Å; N279-S281 PolarHBondContact OD1-N 3.47Å; N279-S281 VanDerWaalsContact OD1-N 3.09Å; N279-I282 PolarHBondContact O-N 2.74Å; N279-I282 PolarHBondContact OD1-N 3Å; N279-Q283 WeakPolarHBondContact O-CG 3.23Å; N279-Q283 PolarHBondContact O-N 3.39Å; N279-Q283 VanDerWaalsContact O-N 3.07Å
280S89.4Confident85.1Confident70 Ų7061 Ų6149%0.4935%0.345SS..Hα-helixtrans-63.8-27.5-176.871.40000113.8K284S280-K284 WeakPolarHBondContact O-CB 3.39Å; S280-K284 VanDerWaalsContact O-CG 3.26Å; S280-K284 WeakPolarHBondContact O-CG 3.09Å; S280-K284 PolarHBondContact O-N 3.02Å; S280-K284 VanDerWaalsContact O-N 3.11Å
281S89.3Confident85.1Confident51 Ų5161.3 Ų61.336%0.35735%0.347SS..Hα-helixtrans-66.2-50.7177.4-172.80000110.6N279 K284 Q285N279-S281 PolarHBondContact O-N 3.45Å; N279-S281 WeakPolarHBondContact OD1-CB 3.37Å; N279-S281 PolarHBondContact OD1-N 3.47Å; N279-S281 VanDerWaalsContact OD1-N 3.09Å; S281-K284 PolarHBondContact O-N 2.98Å; S281-Q285 VanDerWaalsContact O-CG 3.3Å; S281-Q285 WeakPolarHBondContact O-CG 3.44Å; S281-Q285 PolarHBondContact O-N 2.88Å; S281-Q285 PolarHBondContact OG-NE2 2.61Å
282I88.1Confident85.2Confident2 Ų261.4 Ų61.41%0.0135%0.348CS..Hα-helixtrans-64.4-42.6177.6-66.3-60.2000111.7H176 V275 M278 N279 K284 Q285 I286 P291 F292H176-I282 HydrophobicContact CB-CD1 4.29Å; H176-I282 HydrophobicContact CB-CG1 3.99Å; V275-I282 HydrophobicContact CG1-CG2 4.21Å; M278-I282 HydrophobicContact CB-CB 4.12Å; M278-I282 HydrophobicContact CB-CG2 4Å; M278-I282 HydrophobicContact CE-CG2 3.57Å; M278-I282 HydrophobicContact CG-CG2 4.48Å; M278-I282 HydrophobicContact SD-CB 4.45Å; M278-I282 HydrophobicContact SD-CG2 3.66Å; N279-I282 PolarHBondContact O-N 2.74Å; N279-I282 PolarHBondContact OD1-N 3Å; I282-K284 VanDerWaalsContact C-N 3.25Å; I282-K284 PolarHBondContact O-N 3.46Å; I282-Q285 PolarHBondContact O-N 2.96Å; I282-I286 PolarHBondContact O-N 2.71Å; I282-P291 HydrophobicContact CD1-CB 3.91Å; I282-P291 HydrophobicContact CD1-CG 3.74Å; I282-P291 HydrophobicContact CG2-CG 4.01Å; I282-F292 HydrophobicContact CD1-CZ 4.49Å; I282-F292 HydrophobicContact CG2-CE2 4.34Å
283Q88.3Confident85.3Confident90 Ų9061.3 Ų61.342%0.42135%0.35SS..Hα-helixtrans-58.5-38.1177.2-70.8-177.13100112.3V275 S276 M278 N279 I286V275-Q283 HydrophobicContact CG1-CG 4.22Å; V275-Q283 WeakPolarHBondContact O-CG 3.08Å; S276-Q283 PolarHBondContact O-NE2 2.85Å; M278-Q283 PolarHBondContact O-NE2 2.82Å; N279-Q283 WeakPolarHBondContact O-CG 3.23Å; N279-Q283 PolarHBondContact O-N 3.39Å; N279-Q283 VanDerWaalsContact O-N 3.07Å; Q283-I286 WeakPolarHBondContact O-CG2 3.24Å
284K88.6Confident85.4Confident156 Ų15657.1 Ų57.168%0.67832%0.323SS*.Hα-helixtrans-72.8-42.7175-72.4171.2-176.41750112.1S280 S281 I282 I286 A287S280-K284 WeakPolarHBondContact O-CB 3.39Å; S280-K284 VanDerWaalsContact O-CG 3.26Å; S280-K284 WeakPolarHBondContact O-CG 3.09Å; S280-K284 PolarHBondContact O-N 3.02Å; S280-K284 VanDerWaalsContact O-N 3.11Å; S281-K284 PolarHBondContact O-N 2.98Å; I282-K284 VanDerWaalsContact C-N 3.25Å; I282-K284 PolarHBondContact O-N 3.46Å; K284-I286 VanDerWaalsContact C-N 3.34Å; K284-I286 PolarHBondContact O-N 3.04Å; K284-A287 PolarHBondContact O-N 2.82Å
285Q85.3Confident85.5Confident86 Ų8661.6 Ų61.640%0.40234%0.343SS..Hα-helixtrans-63.4-40.5-177.9-75.1178.112.300111.8S281 I282 A287 V288 R289 P291S281-Q285 VanDerWaalsContact O-CG 3.3Å; S281-Q285 WeakPolarHBondContact O-CG 3.44Å; S281-Q285 PolarHBondContact O-N 2.88Å; S281-Q285 PolarHBondContact OG-NE2 2.61Å; I282-Q285 PolarHBondContact O-N 2.96Å; Q285-A287 PolarHBondContact O-N 3.09Å; Q285-V288 WeakPolarHBondContact O-CA 3.38Å; Q285-V288 PolarHBondContact O-N 3.06Å; Q285-R289 CarbonylContact C-O 3.53Å; Q285-R289 PolarHBondContact O-N 3.31Å; Q285-P291 HydrophobicContact CB-CB 4.45Å
286I83.4Confident85.8Confident51 Ų5163 Ų6326%0.26235%0.348SS..Hα-helixtrans-64.4-27.1-174.6-157.1149.4000114.1V275 I282 Q283 K284 V288 R289V275-I286 HydrophobicContact CB-CD1 4.39Å; V275-I286 HydrophobicContact CG1-CB 4.26Å; V275-I286 HydrophobicContact CG1-CD1 4.19Å; V275-I286 HydrophobicContact CG1-CG2 3.64Å; V275-I286 HydrophobicContact CG2-CD1 3.4Å; V275-I286 VanDerWaalsContact CG2-CD1 3.4Å; I282-I286 PolarHBondContact O-N 2.71Å; Q283-I286 WeakPolarHBondContact O-CG2 3.24Å; K284-I286 VanDerWaalsContact C-N 3.34Å; K284-I286 PolarHBondContact O-N 3.04Å; I286-V288 PolarHBondContact O-N 2.85Å; I286-R289 WeakPolarHBondContact CA-O 3.31Å
287A79.6Confident86.2Confident91 Ų9158.7 Ų58.775%0.75232%0.318SS*.THydrogen-bonded Turntrans-64.6-23.1174.500000112.3K284 Q285K284-A287 PolarHBondContact O-N 2.82Å; Q285-A287 PolarHBondContact O-N 3.09Å
288V81.2Confident86.5Confident136 Ų13663.3 Ų63.382%0.82433%0.33SS*.THydrogen-bonded Turntrans-100.5-48.9178.5-176.90000110.8Q285 I286Q285-V288 WeakPolarHBondContact O-CA 3.38Å; Q285-V288 PolarHBondContact O-N 3.06Å; I286-V288 PolarHBondContact O-N 2.85Å
289R80.6Confident86.4Confident112 Ų11266.5 Ų66.542%0.42334%0.342SS..SBendtrans-159141.7-176.8177.5179.3170.4-156.8-3.7110.1Q285 I286 P291 N293 K295Q285-R289 CarbonylContact C-O 3.53Å; Q285-R289 PolarHBondContact O-N 3.31Å; I286-R289 WeakPolarHBondContact CA-O 3.31Å; R289-P291 WeakPolarHBondContact O-CD 3.48Å; R289-P291 VanDerWaalsContact O-N 3.09Å; R289-N293 PolarHBondContact NH2-O 2.69Å; R289-K295 VanDerWaalsContact NH2-CG 3.3Å
290N81.7Confident86.1Confident33 Ų3366.8 Ų66.818%0.17634%0.344CS..  trans-59.2113.4170.7178.711.7000111Q272 F292 N293Q272-N290 PolarHBondContact NE2-ND2 2.84Å; N290-F292 PolarHBondContact O-N 2.98Å; N290-F292 PolarHBondContact OD1-N 3.4Å; N290-N293 HydrophobicContact CB-CB 4.22Å; N290-N293 WeakPolarHBondContact O-CB 3.22Å; N290-N293 PolarHBondContact O-N 3Å; N290-N293 VanDerWaalsContact O-N 3.07Å
291P80.8Confident85.3Confident16 Ų1671.9 Ų71.910%0.10435%0.352CS..THydrogen-bonded Turntrans-67.6-18.9-177.626.4-32.6000113.1I282 Q285 R289 N293I282-P291 HydrophobicContact CD1-CB 3.91Å; I282-P291 HydrophobicContact CD1-CG 3.74Å; I282-P291 HydrophobicContact CG2-CG 4.01Å; Q285-P291 HydrophobicContact CB-CB 4.45Å; R289-P291 WeakPolarHBondContact O-CD 3.48Å; R289-P291 VanDerWaalsContact O-N 3.09Å; P291-N293 VanDerWaalsContact C-N 3.34Å
292F82.9Confident84.5Confident1 Ų171 Ų710%0.00435%0.346CS..THydrogen-bonded Turntrans-90.73.3176.4-52.2-75.6000113.6H176 Q236 L240 M268 Y271 M278 I282 N290 F294 Y299H176-F292 HydrophobicContact CB-CE1 4.4Å; H176-F292 HydrophobicContact CB-CZ 4.18Å; Q236-F292 HydrophobicContact CB-CD1 4.46Å; Q236-F292 HydrophobicContact CB-CE1 4.09Å; Q236-F292 HydrophobicContact CG-CD1 4.4Å; Q236-F292 HydrophobicContact CG-CE1 4.34Å; L240-F292 HydrophobicContact CD1-CE1 4.19Å; M268-F292 HydrophobicContact SD-CB 3.54Å; M268-F292 VanDerWaalsContact SD-CB 3.54Å; M268-F292 HydrophobicContact SD-CG 4.26Å; Y271-F292 HydrophobicContact CD1-CE1 4.45Å; Y271-F292 HydrophobicContact CD1-CE2 4.12Å; Y271-F292 AromaticContact CD1-CZ 3.87Å; Y271-F292 HydrophobicContact CD1-CZ 3.87Å; Y271-F292 HydrophobicContact CE1-CZ 4.42Å; Y271-F292 HydrophobicContact CG-CE2 4.21Å; Y271-F292 HydrophobicContact CG-CZ 4.25Å; M278-F292 HydrophobicContact CE-CE2 3.84Å; M278-F292 HydrophobicContact CE-CZ 4.29Å; M278-F292 HydrophobicContact SD-CE2 3.87Å; M278-F292 HydrophobicContact SD-CZ 3.69Å; I282-F292 HydrophobicContact CD1-CZ 4.49Å; I282-F292 HydrophobicContact CG2-CE2 4.34Å; N290-F292 PolarHBondContact O-N 2.98Å; N290-F292 PolarHBondContact OD1-N 3.4Å; F292-F294 VanDerWaalsContact C-N 3.28Å; F292-F294 HydrophobicContact CB-CE2 4.4Å; F292-F294 HydrophobicContact CB-CZ 4.39Å; F292-F294 HydrophobicContact CD1-CZ 4.05Å; F292-F294 WeakPolarHBondContact O-CD2 3.35Å; F292-F294 PolarHBondContact O-N 3.47Å; F292-Y299 PolarHBondContact O-OH 2.94Å
293N85.8Confident83.9Confident95 Ų9573.8 Ų73.851%0.50836%0.361SS..SBendtrans-87.175.2165.6-171.522.9000109.2R289 N290 P291R289-N293 PolarHBondContact NH2-O 2.69Å; N290-N293 HydrophobicContact CB-CB 4.22Å; N290-N293 WeakPolarHBondContact O-CB 3.22Å; N290-N293 PolarHBondContact O-N 3Å; N290-N293 VanDerWaalsContact O-N 3.07Å; P291-N293 VanDerWaalsContact C-N 3.34Å
294F88.1Confident83.3Confident11 Ų1176.1 Ų76.15%0.04838%0.376CS..  trans-61.3144.3-177-57.4-65.9000112.2L239 L240 D243 F292 V297L239-F294 HydrophobicContact CB-CD1 4.43Å; L239-F294 HydrophobicContact CB-CD2 4.31Å; L239-F294 HydrophobicContact CB-CE1 3.8Å; L239-F294 HydrophobicContact CB-CE2 3.69Å; L239-F294 HydrophobicContact CB-CZ 3.4Å; L239-F294 HydrophobicContact CD1-CD2 4.39Å; L239-F294 HydrophobicContact CD1-CE2 3.71Å; L239-F294 HydrophobicContact CD1-CZ 4.17Å; L239-F294 HydrophobicContact CG-CE2 4.29Å; L239-F294 HydrophobicContact CG-CZ 4.42Å; L240-F294 HydrophobicContact CD2-CE1 3.78Å; L240-F294 HydrophobicContact CG-CE1 3.94Å; L240-F294 HydrophobicContact CG-CZ 4.39Å; D243-F294 HydrophobicContact CB-CB 4.41Å; D243-F294 HydrophobicContact CB-CD1 3.77Å; D243-F294 HydrophobicContact CB-CG 4.49Å; F292-F294 VanDerWaalsContact C-N 3.28Å; F292-F294 HydrophobicContact CB-CE2 4.4Å; F292-F294 HydrophobicContact CB-CZ 4.39Å; F292-F294 HydrophobicContact CD1-CZ 4.05Å; F292-F294 WeakPolarHBondContact O-CD2 3.35Å; F292-F294 PolarHBondContact O-N 3.47Å; F294-V297 HydrophobicContact CB-CB 3.62Å; F294-V297 HydrophobicContact CB-CG2 3.58Å; F294-V297 HydrophobicContact CD2-CB 4.13Å; F294-V297 HydrophobicContact CD2-CG1 4.47Å; F294-V297 HydrophobicContact CD2-CG2 4.14Å; F294-V297 HydrophobicContact CG-CB 4.1Å; F294-V297 HydrophobicContact CG-CG2 3.83Å
295K88.5Confident82.6Confident137 Ų13776.5 Ų76.560%0.59637%0.374SS*.SBendtrans-81.4-34.5179.2-64.6-175-174.6176.20112.2D243 R289D243-K295 PolarHBondContact OD1-N 2.99Å; D243-K295 PolarHBondContact OD2-N 3.41Å; R289-K295 VanDerWaalsContact NH2-CG 3.3Å
296H92.1Very high82.4Confident44 Ų4473.5 Ų73.520%0.20436%0.36CS..SBendtrans-108.3-0.5-169.6-59.4-77.1000113.3D243 W246 S247 I257D243-H296 IonicContact OD1-CD2 2.76Å; D243-H296 PolarHBondContact OD1-CD2 3.45Å; D243-H296 IonicContact OD1-CG 3.48Å; D243-H296 PolarHBondContact OD1-N 3.19Å; W246-H296 HydrophobicContact CB-CB 3.88Å; W246-H296 HydrophobicContact CG-CB 4.12Å; S247-H296 PolarHBondContact OG-NE2 3.32Å; I257-H296 HydrophobicContact CD1-CB 4.22Å
297V91.6Very high82.2Confident12 Ų1278.1 Ų78.17%0.07338%0.38CS..EExtended strand (participates in β ladder)trans-105.3126.6-177.3-1760000110.9L239 I257 F294L239-V297 HydrophobicContact CD2-CG1 3.81Å; L239-V297 HydrophobicContact CD2-CG2 3.89Å; I257-V297 HydrophobicContact CB-CG2 4.26Å; I257-V297 HydrophobicContact CG2-CG1 4.38Å; I257-V297 HydrophobicContact CG2-CG2 4Å; I257-V297 CarbonylContact O-C 3.54Å; I257-V297 WeakPolarHBondContact O-CA 3.47Å; F294-V297 HydrophobicContact CB-CB 3.62Å; F294-V297 HydrophobicContact CB-CG2 3.58Å; F294-V297 HydrophobicContact CD2-CB 4.13Å; F294-V297 HydrophobicContact CD2-CG1 4.47Å; F294-V297 HydrophobicContact CD2-CG2 4.14Å; F294-V297 HydrophobicContact CG-CB 4.1Å; F294-V297 HydrophobicContact CG-CG2 3.83Å
298K90.5Very high82.5Confident126 Ų12676.6 Ų76.655%0.54836%0.36SS..EExtended strand (participates in β ladder)trans-100.1145.9170.7-64.9178.3-176.7174.90110I257 Y258 Y259I257-K298 PolarHBondContact O-N 3.4Å; Y258-K298 CarbonylContact C-O 3.38Å; Y258-K298 VanDerWaalsContact CA-O 3.29Å; Y258-K298 WeakPolarHBondContact CA-O 3.32Å; Y258-K298 HydrophobicContact CD1-CB 3.73Å; Y258-K298 HydrophobicContact CE1-CB 3.92Å; Y258-K298 HydrophobicContact CE1-CD 3.93Å; Y259-K298 PolarHBondContact N-O 2.97Å
299Y88.1Confident82.7Confident70 Ų7076.3 Ų76.328%0.27535%0.352SS..EExtended strand (participates in β ladder)trans-99.1128.3179.7-67.2-91.3000110.7Y259 A264 M268 F292Y259-Y299 HydrophobicContact CD1-CD1 4Å; Y259-Y299 AromaticContact CD1-CE1 3.75Å; Y259-Y299 HydrophobicContact CD1-CE1 3.75Å; Y259-Y299 WeakPolarHBondContact O-CA 3.24Å; A264-Y299 HydrophobicContact CB-CD1 3.73Å; A264-Y299 HydrophobicContact CB-CE1 4.17Å; M268-Y299 HydrophobicContact CG-CE1 4.24Å; F292-Y299 PolarHBondContact O-OH 2.94Å
300L83.5Confident83.3Confident13 Ų1372.6 Ų72.67%0.06835%0.348CS..EExtended strand (participates in β ladder)trans-113.5137174.9-60.1175.2000110.3Y258 Y259 A260 S261 F306Y258-L300 HydrophobicContact CD1-CD1 3.41Å; Y258-L300 VanDerWaalsContact CD1-CD1 3.41Å; Y258-L300 HydrophobicContact CD1-CD2 3.77Å; Y258-L300 HydrophobicContact CD1-CG 3.48Å; Y258-L300 VanDerWaalsContact CD1-CG 3.48Å; Y258-L300 HydrophobicContact CD2-CD1 4.37Å; Y258-L300 HydrophobicContact CE1-CD1 4.1Å; Y258-L300 HydrophobicContact CE1-CD2 3.97Å; Y258-L300 HydrophobicContact CE1-CG 4.19Å; Y258-L300 HydrophobicContact CG-CD1 3.54Å; Y258-L300 HydrophobicContact CG-CG 4.05Å; Y259-L300 PolarHBondContact O-N 3.07Å; A260-L300 WeakPolarHBondContact CA-O 3.26Å; A260-L300 HydrophobicContact CB-CB 3.92Å; A260-L300 HydrophobicContact CB-CD1 4.25Å; S261-L300 PolarHBondContact N-O 3.36Å; S261-L300 VanDerWaalsContact N-O 3.16Å; L300-F306 HydrophobicContact CD1-CB 3.98Å; L300-F306 HydrophobicContact CD1-CD2 3.53Å; L300-F306 HydrophobicContact CD1-CE2 4.38Å; L300-F306 HydrophobicContact CD1-CG 4.01Å
301R72.6Confident84Confident176 Ų17672.8 Ų72.866%0.66435%0.351SS*.SBendtrans-93.4-41.9177.6-70.1-176.2179.9169.30.9112.6
302S73.4Confident84.8Confident33 Ų3372.1 Ų72.123%0.23135%0.347CS..SBendtrans-145.4168.7179.166.60000109.5D304 Y305S302-D304 PolarHBondContact O-N 3.38Å; S302-D304 PolarHBondContact OG-N 3.3Å; S302-D304 PolarHBondContact OG-OD2 3.45Å; S302-Y305 PolarHBondContact O-N 2.85Å; S302-Y305 WeakPolarHBondContact OG-CD2 3.5Å
303I75.1Confident85.5Confident61 Ų6172.1 Ų72.131%0.31335%0.347SS..G310 helixtrans-62.1-24.5175.6-157.9159.3000112.6Y305 F306 L325 L329I303-Y305 PolarHBondContact O-N 3.18Å; I303-Y305 VanDerWaalsContact O-N 3.16Å; I303-F306 VanDerWaalsContact O-CB 3.31Å; I303-F306 WeakPolarHBondContact O-CB 3.45Å; I303-F306 PolarHBondContact O-N 3.38Å; I303-L325 HydrophobicContact CB-CD1 3.73Å; I303-L325 HydrophobicContact CD1-CD1 4.06Å; I303-L325 HydrophobicContact CG1-CD1 4.12Å; I303-L329 HydrophobicContact CD1-CD2 4.21Å
304D76.4Confident86Confident138 Ų13867.6 Ų67.674%0.73832%0.323SS*.G310 helixtrans-63.2-25-179.3-45.9-59.4000113.2S302 F306S302-D304 PolarHBondContact O-N 3.38Å; S302-D304 PolarHBondContact OG-N 3.3Å; S302-D304 PolarHBondContact OG-OD2 3.45Å; D304-F306 VanDerWaalsContact C-N 3.35Å
305Y73.4Confident86.4Confident165 Ų16567 Ų6765%0.64732%0.321SS*.G310 helixtrans-95.15176.9-62-78.8000112.7S302 I303S302-Y305 PolarHBondContact O-N 2.85Å; S302-Y305 WeakPolarHBondContact OG-CD2 3.5Å; I303-Y305 PolarHBondContact O-N 3.18Å; I303-Y305 VanDerWaalsContact O-N 3.16Å
306F81.2Confident86.6Confident22 Ų2260.5 Ų60.510%0.09629%0.292CS..  trans-104.2103-177.9-178.6-119.2000110Y258 L300 I303 D304 D308 V314 L329 W333Y258-F306 HydrophobicContact CD2-CD2 4.37Å; Y258-F306 AromaticContact CD2-CE2 3.87Å; Y258-F306 HydrophobicContact CD2-CE2 3.87Å; Y258-F306 HydrophobicContact CE2-CD2 4.2Å; Y258-F306 AromaticContact CE2-CE2 3.68Å; Y258-F306 HydrophobicContact CE2-CE2 3.68Å; L300-F306 HydrophobicContact CD1-CB 3.98Å; L300-F306 HydrophobicContact CD1-CD2 3.53Å; L300-F306 HydrophobicContact CD1-CE2 4.38Å; L300-F306 HydrophobicContact CD1-CG 4.01Å; I303-F306 VanDerWaalsContact O-CB 3.31Å; I303-F306 WeakPolarHBondContact O-CB 3.45Å; I303-F306 PolarHBondContact O-N 3.38Å; D304-F306 VanDerWaalsContact C-N 3.35Å; F306-D308 HydrophobicContact CD1-CB 4.01Å; F306-D308 HydrophobicContact CE1-CB 3.51Å; F306-D308 HydrophobicContact CZ-CB 4.15Å; F306-D308 PolarHBondContact O-N 3.26Å; F306-V314 HydrophobicContact CE2-CG2 4.32Å; F306-V314 HydrophobicContact CZ-CG2 4.31Å; F306-L329 HydrophobicContact CD1-CD2 4.14Å; F306-L329 HydrophobicContact CE1-CD2 3.98Å; F306-W333 HydrophobicContact CE1-CH2 4.2Å; F306-W333 AromaticContact CE1-CZ2 3.58Å; F306-W333 HydrophobicContact CE1-CZ2 3.58Å; F306-W333 HydrophobicContact CZ-CH2 4Å; F306-W333 AromaticContact CZ-CZ2 3.68Å; F306-W333 HydrophobicContact CZ-CZ2 3.68Å
307E79.8Confident86.6Confident148 Ų14859 Ų5969%0.69229%0.286SS*.  trans-76.3102.1166.5-68.8179.5-168.100108.5I309E307-I309 HydrophobicContact CB-CD1 4.05Å; E307-I309 HydrophobicContact CB-CG1 4.23Å; E307-I309 PolarHBondContact O-N 3.37Å
308D85.6Confident86.5Confident60 Ų6059.8 Ų59.832%0.32129%0.291SS..  trans-74.666.6-179-169.311.2000112.1R224 F306 W333R224-D308 IonicContact CZ-OD1 3.93Å; R224-D308 IonicContact CZ-OD2 3.45Å; R224-D308 IonicContact NE-OD1 2.79Å; R224-D308 PolarHBondContact NE-OD1 2.84Å; R224-D308 IonicContact NE-OD2 3.9Å; R224-D308 PolarHBondContact NH2-O 2.93Å; R224-D308 IonicContact NH2-OD1 3.9Å; R224-D308 PolarHBondContact NH2-OD1 2.78Å; R224-D308 IonicContact NH2-OD2 3.4Å; R224-D308 PolarHBondContact NH2-OD2 3.25Å; F306-D308 HydrophobicContact CD1-CB 4.01Å; F306-D308 HydrophobicContact CE1-CB 3.51Å; F306-D308 HydrophobicContact CZ-CB 4.15Å; F306-D308 PolarHBondContact O-N 3.26Å; D308-W333 PolarHBondContact OD2-NE1 2.8Å
309I85.9Confident86.5Confident130 Ų13054.2 Ų54.267%0.66727%0.269SS*.  trans-118.5118.2-175.2-55.3174.3000109.8E307E307-I309 HydrophobicContact CB-CD1 4.05Å; E307-I309 HydrophobicContact CB-CG1 4.23Å; E307-I309 PolarHBondContact O-N 3.37Å
310G91.5Very high86.7Confident33 Ų3351.4 Ų51.434%0.3426%0.259SS..SBendtrans75.7-172.6173.800000114.8
311P97.2Very high87.2Confident37 Ų3750.8 Ų50.824%0.2426%0.256CS..SBendtrans-69.1143176.528.9-33.5000111.1V219 G223 I255V219-P311 HydrophobicContact CB-CB 4.17Å; V219-P311 VanDerWaalsContact O-CB 3.24Å; V219-P311 WeakPolarHBondContact O-CB 3.42Å; G223-P311 VanDerWaalsContact O-CA 3.31Å; G223-P311 WeakPolarHBondContact O-CA 3.32Å; G223-P311 VanDerWaalsContact O-CB 3.31Å; G223-P311 WeakPolarHBondContact O-CB 3.3Å; I255-P311 HydrophobicContact CD1-CG 4.23Å; I255-P311 HydrophobicContact CG1-CG 4.31Å; I255-P311 HydrophobicContact CG2-CB 4.42Å
312C97.2Very high88.1Confident3 Ų346 Ų462%0.0224%0.241CC..EExtended strand (participates in β ladder)trans-156.1163.7175.361.20000111C225 P256 Y258C225-C312 PolarHBondContact N-O 3.19Å; P256-C312 HydrophobicContact CG-CB 3.86Å; P256-C312 WeakPolarHBondContact O-CA 3.31Å; Y258-C312 HydrophobicContact CD2-CB 4.16Å; Y258-C312 HydrophobicContact CE2-CB 3.99Å
313V98.1Very high88.8Confident0 Ų045.2 Ų45.20%024%0.236CC..EExtended strand (participates in β ladder)trans-110127.8167.7-173.80000108.1V215 V219 C225 I227 L242 W246 P256 I257 Y258 L315V215-V313 HydrophobicContact CG1-CG1 4.42Å; V215-V313 HydrophobicContact CG1-CG2 3.59Å; V219-V313 HydrophobicContact CG1-CG2 3.72Å; C225-V313 HydrophobicContact CB-CG1 4.38Å; C225-V313 HydrophobicContact CB-CG2 4.24Å; C225-V313 CarbonylContact O-C 3.44Å; C225-V313 WeakPolarHBondContact O-CA 3.45Å; I227-V313 HydrophobicContact CD1-CG1 3.77Å; I227-V313 HydrophobicContact CG1-CG1 4.41Å; L242-V313 HydrophobicContact CD1-CG1 4.08Å; W246-V313 HydrophobicContact CH2-CG2 3.66Å; W246-V313 HydrophobicContact CZ2-CG2 4Å; P256-V313 PolarHBondContact O-N 3Å; I257-V313 CarbonylContact C-O 3.55Å; I257-V313 WeakPolarHBondContact CA-O 3.2Å; I257-V313 HydrophobicContact CG1-CB 4.18Å; I257-V313 HydrophobicContact CG1-CG2 4.4Å; I257-V313 HydrophobicContact CG2-CB 4.31Å; I257-V313 HydrophobicContact CG2-CG1 4.49Å; Y258-V313 PolarHBondContact N-O 3.5Å; V313-L315 HydrophobicContact CG1-CD1 4.19Å
314V96.6Very high89.4Confident0 Ų042.8 Ų42.80%023%0.226CC..EExtended strand (participates in β ladder)trans-126.3115.4178.1-171.50000110.5C225 I227 Y258 A260 F306 A316 L329 W333C225-V314 PolarHBondContact O-N 3.36Å; I227-V314 PolarHBondContact N-O 2.98Å; Y258-V314 HydrophobicContact CD2-CG2 4.03Å; Y258-V314 WeakPolarHBondContact O-CA 3.48Å; A260-V314 HydrophobicContact CB-CG1 3.79Å; F306-V314 HydrophobicContact CE2-CG2 4.32Å; F306-V314 HydrophobicContact CZ-CG2 4.31Å; V314-A316 HydrophobicContact CG1-CB 4.18Å; V314-L329 HydrophobicContact CB-CD1 4.29Å; V314-L329 HydrophobicContact CG1-CD1 3.65Å; V314-W333 HydrophobicContact CB-CH2 4.23Å; V314-W333 HydrophobicContact CB-CZ3 4.34Å; V314-W333 HydrophobicContact CG2-CH2 3.61Å; V314-W333 HydrophobicContact CG2-CZ3 4.17Å
315L96.1Very high90Very high0 Ų037.3 Ų37.30%020%0.196CC..EExtended strand (participates in β ladder)trans-87.2114.1165.2-74.279.3000107.8I227 V229 A235 L238 L239 L242 I257 Y258 Y259 A260 V313I227-L315 HydrophobicContact CB-CG 4.13Å; I227-L315 HydrophobicContact CD1-CD1 4.1Å; I227-L315 HydrophobicContact CD1-CG 4.37Å; I227-L315 HydrophobicContact CG2-CG 4.48Å; I227-L315 VanDerWaalsContact O-CA 3.31Å; I227-L315 WeakPolarHBondContact O-CA 3.29Å; V229-L315 HydrophobicContact CG1-CD2 4.36Å; V229-L315 HydrophobicContact CG2-CB 3.98Å; V229-L315 HydrophobicContact CG2-CD2 4.48Å; A235-L315 HydrophobicContact CB-CD2 4.49Å; L238-L315 HydrophobicContact CB-CD2 3.96Å; L239-L315 HydrophobicContact CD2-CD1 3.88Å; L239-L315 HydrophobicContact CD2-CD2 3.73Å; L239-L315 HydrophobicContact CD2-CG 4.33Å; L239-L315 HydrophobicContact CG-CD2 3.8Å; L242-L315 HydrophobicContact CD1-CD1 3.73Å; I257-L315 HydrophobicContact CG2-CD1 4.24Å; Y258-L315 PolarHBondContact O-N 3.48Å; Y259-L315 HydrophobicContact CD2-CB 3.92Å; A260-L315 PolarHBondContact N-O 2.75Å; V313-L315 HydrophobicContact CG1-CD1 4.19Å
316A93.6Very high91Very high0 Ų029.5 Ų29.50%017%0.165CC..EExtended strand (participates in β ladder)trans-129.5149.9-174.300000112.5L226 I227 P228 V229 A260 V314 S326 L329L226-A316 HydrophobicContact CD1-CB 4.03Å; I227-A316 PolarHBondContact O-N 3.33Å; I227-A316 VanDerWaalsContact O-N 3.14Å; P228-A316 WeakPolarHBondContact CA-O 3.34Å; V229-A316 PolarHBondContact N-O 2.92Å; A260-A316 HydrophobicContact CB-CB 4.35Å; A260-A316 WeakPolarHBondContact O-CA 3.3Å; V314-A316 HydrophobicContact CG1-CB 4.18Å; A316-S326 WeakPolarHBondContact O-CB 3.32Å; A316-L329 HydrophobicContact CB-CD1 4.09Å
317T90.6Very high91.6Very high12 Ų1229.2 Ų29.27%0.07416%0.164CC..SBendtrans-100.1153.117953.30000112.5V229 A231 A260 L325 S326V229-T317 WeakPolarHBondContact O-CA 3.41Å; V229-T317 WeakPolarHBondContact O-CG2 3.47Å; A231-T317 HydrophobicContact CB-CG2 3.9Å; A260-T317 PolarHBondContact O-N 3.13Å; T317-L325 PolarHBondContact O-N 3.43Å; T317-S326 VanDerWaalsContact C-OG 3.26Å; T317-S326 WeakPolarHBondContact O-CB 3.29Å; T317-S326 PolarHBondContact O-N 3.04Å; T317-S326 PolarHBondContact O-OG 3.46Å
318P90.1Very high92.2Very high29 Ų2925.9 Ų25.919%0.18815%0.148CC..  cis-84.3155.5-935.2-33.8000113.9V229 M320 L321 S323 S326V229-P318 CarbonylContact O-C 3.52Å; P318-M320 PolarHBondContact O-N 2.89Å; P318-L321 PolarHBondContact O-N 2.9Å; P318-S323 WeakPolarHBondContact CD-O 3.22Å; P318-S326 VanDerWaalsContact CD-OG 3.32Å; P318-S326 WeakPolarHBondContact CD-OG 3.4Å; P318-S326 PolarHBondContact O-OG 2.85Å
319G91.3Very high92.6Very high8 Ų823.2 Ų23.28%0.08213%0.134CC..THydrogen-bonded Turntrans-62.7-18.9-175.900000116.2P228 V229P228-G319 WeakPolarHBondContact CB-O 3.39Å; V229-G319 PolarHBondContact O-N 2.94Å
320M92.4Very high93.2Very high12 Ų1217 Ų176%0.05910%0.102CC..THydrogen-bonded Turntrans-88.9-0.4-178.8-64-62.7172.700114.1F230 P318 Q322 Y346 C347 V348 T351 A353F230-M320 HydrophobicContact CE2-CE 4.32Å; F230-M320 HydrophobicContact CZ-CE 3.79Å; F230-M320 HydrophobicContact CZ-CG 4.16Å; P318-M320 PolarHBondContact O-N 2.89Å; M320-Q322 HydrophobicContact CB-CG 4.05Å; M320-Q322 PolarHBondContact O-N 2.91Å; M320-Y346 VanDerWaalsContact CE-O 3.29Å; M320-Y346 WeakPolarHBondContact CE-O 3.39Å; M320-C347 HydrophobicContact SD-CB 4.43Å; M320-V348 HydrophobicContact CE-CB 4.37Å; M320-V348 HydrophobicContact CE-CG2 3.82Å; M320-T351 HydrophobicContact CB-CG2 3.97Å; M320-T351 HydrophobicContact CG-CG2 4.16Å; M320-T351 HydrophobicContact SD-CG2 4.1Å; M320-A353 WeakPolarHBondContact O-CB 3.46Å; M320-A353 PolarHBondContact O-N 2.84Å; M320-A353 VanDerWaalsContact O-N 3.12Å
321L94.1Very high93.4Very high0 Ų017 Ų170%09%0.093CC..  trans55.728.3179.4-64175.5000114.8L226 P228 P318 S326 R327 F330 I343 L352 A353 I356L226-L321 HydrophobicContact CD2-CD2 4.42Å; P228-L321 HydrophobicContact CB-CD2 3.8Å; P228-L321 HydrophobicContact CB-CG 3.97Å; P228-L321 HydrophobicContact CG-CD1 4Å; P228-L321 HydrophobicContact CG-CD2 3.53Å; P228-L321 HydrophobicContact CG-CG 3.79Å; P318-L321 PolarHBondContact O-N 2.9Å; L321-S326 WeakPolarHBondContact CD2-O 3.29Å; L321-R327 WeakPolarHBondContact O-CD 3.19Å; L321-F330 HydrophobicContact CD1-CD2 3.98Å; L321-F330 HydrophobicContact CD1-CE2 4.41Å; L321-F330 HydrophobicContact CD1-CG 4.21Å; L321-F330 HydrophobicContact CD2-CB 4.06Å; L321-I343 HydrophobicContact CD1-CD1 4.45Å; L321-L352 HydrophobicContact CB-CB 4.04Å; L321-L352 HydrophobicContact CB-CD2 3.7Å; L321-L352 HydrophobicContact CB-CG 4.3Å; L321-L352 HydrophobicContact CD1-CD2 4.2Å; L321-A353 HydrophobicContact CB-CB 4.44Å; L321-A353 HydrophobicContact CD1-CB 4.36Å; L321-A353 HydrophobicContact CG-CB 4.36Å; L321-I356 HydrophobicContact CD1-CD1 3.54Å
322Q90.8Very high93.3Very high74 Ų7419.2 Ų19.235%0.34611%0.11SC..SBendtrans-82.4-32.2-178.2-66.1169.6-77.600112.5P34 M320 T351P34-Q322 PolarHBondContact O-NE2 3.37Å; P34-Q322 PolarHBondContact O-OE1 3.34Å; M320-Q322 HydrophobicContact CB-CG 4.05Å; M320-Q322 PolarHBondContact O-N 2.91Å; Q322-T351 HydrophobicContact CG-CG2 4.31Å
323S88.7Confident93.3Very high18 Ų1819.2 Ų19.213%0.12611%0.109CC..SBendtrans-157.5-171.3-177.767.40000110.3P318 R327P318-S323 WeakPolarHBondContact CD-O 3.22Å; S323-R327 WeakPolarHBondContact O-CB 3.28Å
324G87.9Confident93.3Very high10 Ų1019.2 Ų19.210%0.10311%0.109CC..Hα-helixtrans64.8-169.8171.100000114.7S326 R327 E328G324-S326 VanDerWaalsContact C-N 3.32Å; G324-S326 PolarHBondContact O-N 3.03Å; G324-R327 WeakPolarHBondContact O-CB 3.5Å; G324-R327 PolarHBondContact O-N 2.97Å; G324-E328 WeakPolarHBondContact O-CG 3.38Å; G324-E328 PolarHBondContact O-N 3.12Å
325L89.1Confident93.4Very high23 Ų2321 Ų2112%0.1212%0.122CC..Hα-helixtrans-62.4-35.6-168-174.355.6000113.8A260 I303 T317 R327 E328 L329A260-L325 HydrophobicContact CB-CD2 3.5Å; A260-L325 HydrophobicContact CB-CG 4.49Å; I303-L325 HydrophobicContact CB-CD1 3.73Å; I303-L325 HydrophobicContact CD1-CD1 4.06Å; I303-L325 HydrophobicContact CG1-CD1 4.12Å; T317-L325 PolarHBondContact O-N 3.43Å; L325-R327 VanDerWaalsContact C-N 3.28Å; L325-R327 PolarHBondContact O-N 3.32Å; L325-E328 PolarHBondContact O-N 2.95Å; L325-L329 HydrophobicContact CD1-CD1 4.15Å; L325-L329 HydrophobicContact CD1-CG 3.98Å; L325-L329 HydrophobicContact CG-CD1 3.98Å; L325-L329 HydrophobicContact CG-CG 4.28Å; L325-L329 WeakPolarHBondContact O-CB 3.3Å; L325-L329 VanDerWaalsContact O-CG 3.26Å; L325-L329 WeakPolarHBondContact O-CG 3.4Å; L325-L329 PolarHBondContact O-N 3.25Å
326S93.2Very high93.4Very high0 Ų024.5 Ų24.50%014%0.138CC..Hα-helixtrans-61.5-38.5175.666.60000112.4L226 A316 T317 P318 L321 G324 F330L226-S326 WeakPolarHBondContact CD2-O 3.24Å; A316-S326 WeakPolarHBondContact O-CB 3.32Å; T317-S326 VanDerWaalsContact C-OG 3.26Å; T317-S326 WeakPolarHBondContact O-CB 3.29Å; T317-S326 PolarHBondContact O-N 3.04Å; T317-S326 PolarHBondContact O-OG 3.46Å; P318-S326 VanDerWaalsContact CD-OG 3.32Å; P318-S326 WeakPolarHBondContact CD-OG 3.4Å; P318-S326 PolarHBondContact O-OG 2.85Å; L321-S326 WeakPolarHBondContact CD2-O 3.29Å; G324-S326 VanDerWaalsContact C-N 3.32Å; G324-S326 PolarHBondContact O-N 3.03Å; S326-F330 VanDerWaalsContact O-CB 3.29Å; S326-F330 WeakPolarHBondContact O-CB 3.36Å; S326-F330 PolarHBondContact O-N 2.95Å
327R94.1Very high93.7Very high17 Ų1727.8 Ų27.86%0.06416%0.159CC..Hα-helixtrans-71.8-44.6177.617752.4157154.14.5111.2L321 S323 G324 L325 L329 F330 E331 L352 A364 L366L321-R327 WeakPolarHBondContact O-CD 3.19Å; S323-R327 WeakPolarHBondContact O-CB 3.28Å; G324-R327 WeakPolarHBondContact O-CB 3.5Å; G324-R327 PolarHBondContact O-N 2.97Å; L325-R327 VanDerWaalsContact C-N 3.28Å; L325-R327 PolarHBondContact O-N 3.32Å; R327-L329 PolarHBondContact O-N 3.46Å; R327-F330 PolarHBondContact O-N 3.38Å; R327-E331 IonicContact CZ-OE1 2.77Å; R327-E331 IonicContact NE-OE1 3.57Å; R327-E331 PolarHBondContact NE-OE1 2.67Å; R327-E331 IonicContact NH1-OE1 3.37Å; R327-E331 PolarHBondContact NH1-OE1 3.43Å; R327-E331 IonicContact NH2-OE1 3.76Å; R327-E331 PolarHBondContact NH2-OE1 3.18Å; R327-E331 VanDerWaalsContact NH2-OE1 3.12Å; R327-E331 WeakPolarHBondContact O-CG 3.41Å; R327-E331 PolarHBondContact O-N 2.83Å; R327-L352 VanDerWaalsContact CZ-CD2 3.47Å; R327-A364 PolarHBondContact NH2-O 3.07Å; R327-L366 HydrophobicContact CG-CD1 3.6Å; R327-L366 HydrophobicContact CG-CD2 4.39Å; R327-L366 HydrophobicContact CG-CG 3.88Å
328E92.3Very high94Very high78 Ų7830.8 Ų30.836%0.36417%0.171SC..Hα-helixtrans-58.5-46.3176.5-69165-156.200111.8G324 L325 S332G324-E328 WeakPolarHBondContact O-CG 3.38Å; G324-E328 PolarHBondContact O-N 3.12Å; L325-E328 PolarHBondContact O-N 2.95Å; E328-S332 WeakPolarHBondContact O-CB 3.47Å; E328-S332 PolarHBondContact O-N 3.31Å; E328-S332 PolarHBondContact O-OG 2.92Å
329L94.7Very high94.4Very high4 Ų429.4 Ų29.42%0.02116%0.163CC..Hα-helixtrans-66.5-41.6176.1-68.7173.5000111.6L226 I303 F306 V314 A316 L325 R327 S332 W333L226-L329 HydrophobicContact CD1-CB 4.11Å; L226-L329 HydrophobicContact CD1-CD1 4.18Å; L226-L329 HydrophobicContact CD2-CB 4.44Å; I303-L329 HydrophobicContact CD1-CD2 4.21Å; F306-L329 HydrophobicContact CD1-CD2 4.14Å; F306-L329 HydrophobicContact CE1-CD2 3.98Å; V314-L329 HydrophobicContact CB-CD1 4.29Å; V314-L329 HydrophobicContact CG1-CD1 3.65Å; A316-L329 HydrophobicContact CB-CD1 4.09Å; L325-L329 HydrophobicContact CD1-CD1 4.15Å; L325-L329 HydrophobicContact CD1-CG 3.98Å; L325-L329 HydrophobicContact CG-CD1 3.98Å; L325-L329 HydrophobicContact CG-CG 4.28Å; L325-L329 WeakPolarHBondContact O-CB 3.3Å; L325-L329 VanDerWaalsContact O-CG 3.26Å; L325-L329 WeakPolarHBondContact O-CG 3.4Å; L325-L329 PolarHBondContact O-N 3.25Å; R327-L329 PolarHBondContact O-N 3.46Å; L329-S332 PolarHBondContact O-N 3.48Å; L329-W333 HydrophobicContact CB-CD2 4.48Å; L329-W333 HydrophobicContact CB-CE3 4.24Å; L329-W333 HydrophobicContact CB-CZ3 4.3Å; L329-W333 HydrophobicContact CD1-CH2 4.45Å; L329-W333 HydrophobicContact CD2-CH2 4.07Å; L329-W333 HydrophobicContact CD2-CZ2 3.86Å; L329-W333 VanDerWaalsContact O-CB 3.23Å; L329-W333 WeakPolarHBondContact O-CB 3.23Å; L329-W333 VanDerWaalsContact O-CG 3.25Å; L329-W333 PolarHBondContact O-N 3.4Å
330F97.2Very high94.8Very high0 Ų029 Ų290%016%0.159CC..Hα-helixtrans-58.7-50.7176.4-177-91000111L226 L321 S326 R327 S332 W333 C334 C341 L352 I356 I363 M375 I377L226-F330 HydrophobicContact CD2-CB 3.64Å; L226-F330 HydrophobicContact CD2-CD2 4.09Å; L226-F330 HydrophobicContact CD2-CG 4.39Å; L321-F330 HydrophobicContact CD1-CD2 3.98Å; L321-F330 HydrophobicContact CD1-CE2 4.41Å; L321-F330 HydrophobicContact CD1-CG 4.21Å; L321-F330 HydrophobicContact CD2-CB 4.06Å; S326-F330 VanDerWaalsContact O-CB 3.29Å; S326-F330 WeakPolarHBondContact O-CB 3.36Å; S326-F330 PolarHBondContact O-N 2.95Å; R327-F330 PolarHBondContact O-N 3.38Å; F330-S332 VanDerWaalsContact C-N 3.3Å; F330-S332 PolarHBondContact O-N 3.37Å; F330-W333 PolarHBondContact O-N 2.77Å; F330-W333 VanDerWaalsContact O-N 3.15Å; F330-C334 HydrophobicContact CD1-CB 4.13Å; F330-C334 HydrophobicContact CE1-CB 3.75Å; F330-C334 HydrophobicContact CE2-CB 4.37Å; F330-C334 HydrophobicContact CZ-CB 3.88Å; F330-C334 WeakPolarHBondContact O-CA 3.45Å; F330-C334 WeakPolarHBondContact O-CB 3.47Å; F330-C334 PolarHBondContact O-N 3.01Å; F330-C334 PolarHBondContact O-SG 3.32Å; F330-C341 HydrophobicContact CD2-CB 4.25Å; F330-C341 HydrophobicContact CE2-CB 4.1Å; F330-L352 HydrophobicContact CD1-CD2 4.04Å; F330-L352 HydrophobicContact CE1-CD2 4.2Å; F330-I356 HydrophobicContact CD2-CD1 4.36Å; F330-I356 HydrophobicContact CE1-CG2 4.11Å; F330-I356 HydrophobicContact CE2-CD1 3.63Å; F330-I356 HydrophobicContact CE2-CG2 4.35Å; F330-I356 HydrophobicContact CZ-CB 4.35Å; F330-I356 HydrophobicContact CZ-CD1 4.02Å; F330-I356 HydrophobicContact CZ-CG2 3.62Å; F330-I363 HydrophobicContact CD1-CD1 4.06Å; F330-I363 HydrophobicContact CE1-CD1 3.6Å; F330-I363 HydrophobicContact CE1-CG1 4.31Å; F330-M375 HydrophobicContact CD2-SD 3.91Å; F330-M375 HydrophobicContact CE2-SD 3.52Å; F330-M375 VanDerWaalsContact CE2-SD 3.52Å; F330-M375 HydrophobicContact CZ-SD 4.2Å; F330-I377 HydrophobicContact CE2-CD1 4.09Å; F330-I377 HydrophobicContact CZ-CD1 4.49Å
331E96.5Very high95.1Very high31 Ų3128.5 Ų28.515%0.14516%0.156CC..Hα-helixtrans-60.1-40.9178.7-72.8-174-170.600111.9R327 W333 C334 A365 L366 L371R327-E331 IonicContact CZ-OE1 2.77Å; R327-E331 IonicContact NE-OE1 3.57Å; R327-E331 PolarHBondContact NE-OE1 2.67Å; R327-E331 IonicContact NH1-OE1 3.37Å; R327-E331 PolarHBondContact NH1-OE1 3.43Å; R327-E331 IonicContact NH2-OE1 3.76Å; R327-E331 PolarHBondContact NH2-OE1 3.18Å; R327-E331 VanDerWaalsContact NH2-OE1 3.12Å; R327-E331 WeakPolarHBondContact O-CG 3.41Å; R327-E331 PolarHBondContact O-N 2.83Å; E331-W333 VanDerWaalsContact C-N 3.27Å; E331-W333 PolarHBondContact O-N 3.21Å; E331-C334 PolarHBondContact O-SG 3.38Å; E331-A365 VanDerWaalsContact OE1-CA 3.27Å; E331-A365 WeakPolarHBondContact OE1-CA 3.44Å; E331-A365 WeakPolarHBondContact OE2-CB 3.23Å; E331-L366 WeakPolarHBondContact OE1-CG 3.4Å; E331-L366 PolarHBondContact OE1-N 3.25Å; E331-L366 PolarHBondContact OE2-N 2.91Å; E331-L371 HydrophobicContact CB-CD1 3.59Å; E331-L371 HydrophobicContact CG-CD1 3.66Å
332S94.5Very high95.3Very high84 Ų8428.5 Ų28.559%0.58716%0.156SC*.Hα-helixtrans-67.2-26.6178.8-58.20000113.3E328 L329 F330E328-S332 WeakPolarHBondContact O-CB 3.47Å; E328-S332 PolarHBondContact O-N 3.31Å; E328-S332 PolarHBondContact O-OG 2.92Å; L329-S332 PolarHBondContact O-N 3.48Å; F330-S332 VanDerWaalsContact C-N 3.3Å; F330-S332 PolarHBondContact O-N 3.37Å
333W97.5Very high95.6Very high3 Ų325.1 Ų25.11%0.01114%0.14CC..Hα-helixtrans-112.7-16.7-169.7-67.7-10.5000114.9R224 L226 F306 D308 V314 L329 F330 E331 S335 E336 N339R224-W333 HydrophobicContact CB-CD2 3.8Å; R224-W333 HydrophobicContact CB-CE3 3.66Å; R224-W333 HydrophobicContact CB-CH2 3.76Å; R224-W333 HydrophobicContact CB-CZ2 3.89Å; R224-W333 HydrophobicContact CB-CZ3 3.66Å; R224-W333 HydrophobicContact CG-CD2 4.19Å; R224-W333 HydrophobicContact CG-CE3 4.44Å; R224-W333 HydrophobicContact CG-CH2 3.96Å; R224-W333 HydrophobicContact CG-CZ2 3.67Å; R224-W333 HydrophobicContact CG-CZ3 4.36Å; L226-W333 HydrophobicContact CB-CE3 4.09Å; L226-W333 HydrophobicContact CB-CZ3 4.1Å; L226-W333 HydrophobicContact CD1-CZ3 4.47Å; F306-W333 HydrophobicContact CE1-CH2 4.2Å; F306-W333 AromaticContact CE1-CZ2 3.58Å; F306-W333 HydrophobicContact CE1-CZ2 3.58Å; F306-W333 HydrophobicContact CZ-CH2 4Å; F306-W333 AromaticContact CZ-CZ2 3.68Å; F306-W333 HydrophobicContact CZ-CZ2 3.68Å; D308-W333 PolarHBondContact OD2-NE1 2.8Å; V314-W333 HydrophobicContact CB-CH2 4.23Å; V314-W333 HydrophobicContact CB-CZ3 4.34Å; V314-W333 HydrophobicContact CG2-CH2 3.61Å; V314-W333 HydrophobicContact CG2-CZ3 4.17Å; L329-W333 HydrophobicContact CB-CD2 4.48Å; L329-W333 HydrophobicContact CB-CE3 4.24Å; L329-W333 HydrophobicContact CB-CZ3 4.3Å; L329-W333 HydrophobicContact CD1-CH2 4.45Å; L329-W333 HydrophobicContact CD2-CH2 4.07Å; L329-W333 HydrophobicContact CD2-CZ2 3.86Å; L329-W333 VanDerWaalsContact O-CB 3.23Å; L329-W333 WeakPolarHBondContact O-CB 3.23Å; L329-W333 VanDerWaalsContact O-CG 3.25Å; L329-W333 PolarHBondContact O-N 3.4Å; F330-W333 PolarHBondContact O-N 2.77Å; F330-W333 VanDerWaalsContact O-N 3.15Å; E331-W333 VanDerWaalsContact C-N 3.27Å; E331-W333 PolarHBondContact O-N 3.21Å; W333-S335 VanDerWaalsContact C-N 3.27Å; W333-S335 PolarHBondContact O-N 2.79Å; W333-E336 PolarHBondContact O-N 3.32Å; W333-N339 WeakPolarHBondContact CB-ND2 3.1Å; W333-N339 PolarHBondContact O-ND2 3.03Å
334C98.2Very high95.9Very high0 Ų024.6 Ų24.60%014%0.137CC..THydrogen-bonded Turntrans-64.6-28.1-169.363.50000114.4F330 E331 E336 S372 R374 M375F330-C334 HydrophobicContact CD1-CB 4.13Å; F330-C334 HydrophobicContact CE1-CB 3.75Å; F330-C334 HydrophobicContact CE2-CB 4.37Å; F330-C334 HydrophobicContact CZ-CB 3.88Å; F330-C334 WeakPolarHBondContact O-CA 3.45Å; F330-C334 WeakPolarHBondContact O-CB 3.47Å; F330-C334 PolarHBondContact O-N 3.01Å; F330-C334 PolarHBondContact O-SG 3.32Å; E331-C334 PolarHBondContact O-SG 3.38Å; C334-E336 VanDerWaalsContact C-N 3.28Å; C334-E336 PolarHBondContact O-N 3.43Å; C334-S372 CarbonylContact C-O 3.56Å; C334-R374 PolarHBondContact O-N 3.03Å; C334-M375 VanDerWaalsContact CA-SD 3.51Å; C334-M375 HydrophobicContact CB-CG 4.42Å; C334-M375 HydrophobicContact CB-SD 3.85Å; C334-M375 PolarHBondContact O-N 3.2Å
335S97.7Very high96Very high38 Ų3825 Ų2527%0.26614%0.141SC..THydrogen-bonded Turntrans-80.5-2.1-179.9-53.60000114.4W333 S372 R374W333-S335 VanDerWaalsContact C-N 3.27Å; W333-S335 PolarHBondContact O-N 2.79Å; S335-S372 WeakPolarHBondContact CA-O 3.25Å; S335-S372 WeakPolarHBondContact CB-O 3.35Å; S335-S372 PolarHBondContact N-O 2.75Å; S335-S372 PolarHBondContact OG-O 2.81Å; S335-R374 PolarHBondContact O-NE 3.32Å; S335-R374 PolarHBondContact O-NH2 2.88Å
336E98Very high96Very high74 Ų7425.4 Ų25.435%0.34614%0.141SC..  trans-107.6114.1-175.6170.956.2-112.200111.1W333 C334 K338 N339W333-E336 PolarHBondContact O-N 3.32Å; C334-E336 VanDerWaalsContact C-N 3.28Å; C334-E336 PolarHBondContact O-N 3.43Å; E336-K338 VanDerWaalsContact C-N 3.29Å; E336-K338 HydrophobicContact CG-CD 4.17Å; E336-K338 HydrophobicContact CG-CG 3.61Å; E336-K338 PolarHBondContact O-N 3.35Å; E336-K338 WeakPolarHBondContact OE1-CG 3.32Å; E336-K338 PolarHBondContact OE1-N 2.8Å; E336-N339 WeakPolarHBondContact CB-ND2 3.29Å; E336-N339 WeakPolarHBondContact O-CB 3.41Å; E336-N339 PolarHBondContact O-N 3.26Å
337P97.9Very high96Very high68 Ų6825.8 Ų25.844%0.44214%0.143SC..THydrogen-bonded Turntrans-64.9-22.7-171.824.2-36.3000115.8N339 R374P337-N339 PolarHBondContact O-N 3.07Å; P337-R374 WeakPolarHBondContact CA-O 3.45Å; P337-R374 HydrophobicContact CB-CB 4.31Å
338K98Very high95.7Very high75 Ų7525.2 Ų25.233%0.32614%0.142SC..THydrogen-bonded Turntrans-69.5-23.2173.866.8-174.3-178.9163.10112.5R221 G222 G223 E336R221-K338 HydrophobicContact CG-CB 4.49Å; R221-K338 PolarHBondContact NE-O 3.19Å; R221-K338 PolarHBondContact NH2-O 2.81Å; G222-K338 WeakPolarHBondContact O-CD 3.41Å; G222-K338 WeakPolarHBondContact O-CE 3.22Å; G222-K338 PolarHBondContact O-NZ 3.39Å; G223-K338 WeakPolarHBondContact CA-O 3.4Å; E336-K338 VanDerWaalsContact C-N 3.29Å; E336-K338 HydrophobicContact CG-CD 4.17Å; E336-K338 HydrophobicContact CG-CG 3.61Å; E336-K338 PolarHBondContact O-N 3.35Å; E336-K338 WeakPolarHBondContact OE1-CG 3.32Å; E336-K338 PolarHBondContact OE1-N 2.8Å
339N98.7Very high95.5Very high1 Ų127.1 Ų27.11%0.00515%0.151CC..  trans-74.5168.5-178.5-62.5-19.7000111.6R221 R224 W333 E336 P337 M375 Q376R221-N339 PolarHBondContact NH2-O 2.85Å; R224-N339 PolarHBondContact N-OD1 3.38Å; R224-N339 CarbonylContact O-C 3.36Å; R224-N339 WeakPolarHBondContact O-CA 3.44Å; R224-N339 WeakPolarHBondContact O-CB 3.35Å; W333-N339 WeakPolarHBondContact CB-ND2 3.1Å; W333-N339 PolarHBondContact O-ND2 3.03Å; E336-N339 WeakPolarHBondContact CB-ND2 3.29Å; E336-N339 WeakPolarHBondContact O-CB 3.41Å; E336-N339 PolarHBondContact O-N 3.26Å; P337-N339 PolarHBondContact O-N 3.07Å; N339-M375 HydrophobicContact CB-CB 4.02Å; N339-M375 HydrophobicContact CB-CE 3.95Å; N339-Q376 PolarHBondContact O-N 3.02Å
340G98.7Very high95.2Very high0 Ų029.9 Ų29.90%018%0.18CC..EExtended strand (participates in β ladder)trans-150.7147.9173.300000113.2R224 C225 L226 M375 Q376R224-G340 PolarHBondContact O-N 2.76Å; C225-G340 CarbonylContact C-O 3.55Å; C225-G340 WeakPolarHBondContact CA-O 3.21Å; L226-G340 PolarHBondContact N-O 3.14Å; G340-M375 WeakPolarHBondContact O-CE 3.47Å; G340-Q376 CarbonylContact C-O 3.57Å; G340-Q376 WeakPolarHBondContact CA-O 3.18Å
341C98.7Very high94.9Very high0 Ų030.1 Ų30.10%018%0.182CC..EExtended strand (participates in β ladder)trans-119.3121.5175.7-173.60000108.5L226 F330 M375 Q376 I377 A378L226-C341 CarbonylContact O-C 3.13Å; L226-C341 VanDerWaalsContact O-CA 3.3Å; L226-C341 WeakPolarHBondContact O-CA 3.25Å; F330-C341 HydrophobicContact CD2-CB 4.25Å; F330-C341 HydrophobicContact CE2-CB 4.1Å; C341-M375 HydrophobicContact CB-CE 3.72Å; C341-M375 HydrophobicContact CB-SD 3.88Å; C341-Q376 PolarHBondContact N-O 3.29Å; C341-I377 HydrophobicContact CB-CD1 3.82Å; C341-A378 PolarHBondContact O-N 2.72Å
342I98.6Very high94.9Very high0 Ų029.7 Ų29.70%018%0.18CC..EExtended strand (participates in β ladder)trans-105.7112.2178-51.8179.4000109F211 V214 V215 I218 L226 I227 P228 A344 A378 I380F211-I342 HydrophobicContact CD2-CD1 4.26Å; F211-I342 HydrophobicContact CD2-CG2 4.37Å; F211-I342 HydrophobicContact CE2-CD1 4.16Å; F211-I342 HydrophobicContact CE2-CG2 4.45Å; V214-I342 HydrophobicContact CB-CD1 4.38Å; V214-I342 HydrophobicContact CG1-CD1 3.81Å; V214-I342 HydrophobicContact CG1-CG1 4.16Å; V215-I342 HydrophobicContact CG2-CD1 3.44Å; V215-I342 VanDerWaalsContact CG2-CD1 3.44Å; I218-I342 HydrophobicContact CD1-CD1 4.27Å; I218-I342 HydrophobicContact CD1-CG1 4.28Å; L226-I342 PolarHBondContact O-N 3.47Å; I227-I342 HydrophobicContact CG1-CB 4.31Å; P228-I342 WeakPolarHBondContact CD-O 3.2Å; I342-A344 PolarHBondContact O-N 3.3Å; I342-A378 CarbonylContact C-O 3.57Å; I342-A378 WeakPolarHBondContact CA-O 3.33Å; I342-A378 HydrophobicContact CG1-CB 4.36Å; I342-I380 HydrophobicContact CG2-CB 4.29Å; I342-I380 HydrophobicContact CG2-CD1 4.15Å; I342-I380 HydrophobicContact CG2-CG1 4.21Å
343I97.6Very high94.9Very high3 Ų325.7 Ų25.72%0.01515%0.152CC..EExtended strand (participates in β ladder)trans-81.4112168.9-63.2-53.1000108.4P228 L321 G345 C347 A353 I356 L357 A378 Y379 I380P228-I343 HydrophobicContact CG-CD1 4.02Å; L321-I343 HydrophobicContact CD1-CD1 4.45Å; I343-G345 WeakPolarHBondContact CG2-O 3.31Å; I343-C347 WeakPolarHBondContact CG2-SG 3.49Å; I343-A353 HydrophobicContact CD1-CB 4.11Å; I343-I356 HydrophobicContact CD1-CD1 4.13Å; I343-I356 HydrophobicContact CG1-CD1 4.3Å; I343-L357 HydrophobicContact CB-CD2 4.03Å; I343-L357 HydrophobicContact CG1-CD2 3.9Å; I343-L357 HydrophobicContact CG2-CD2 4.34Å; I343-A378 PolarHBondContact N-O 2.84Å; I343-Y379 HydrophobicContact CB-CD2 4.1Å; I343-Y379 HydrophobicContact CG2-CD2 3.74Å; I343-Y379 HydrophobicContact CG2-CE2 4.02Å; I343-I380 PolarHBondContact O-N 3.26Å
344A95Very high94.8Very high7 Ų728.4 Ų28.46%0.05816%0.164CC..  trans-99.19.8-170.700000114.5I227 L238 I342 I380 F382I227-A344 HydrophobicContact CG2-CB 4.21Å; L238-A344 HydrophobicContact CD1-CB 3.68Å; I342-A344 PolarHBondContact O-N 3.3Å; A344-I380 VanDerWaalsContact CA-O 3.29Å; A344-I380 WeakPolarHBondContact CA-O 3.08Å; A344-F382 HydrophobicContact CB-CD2 4.43Å; A344-F382 PolarHBondContact O-N 3.48Å
345G90.2Very high94.7Very high18 Ų1832.5 Ų32.519%0.18618%0.183CC..SBendtrans-166.5-175.8-176.100000113I343 Y379I343-G345 WeakPolarHBondContact CG2-O 3.31Å; G345-Y379 WeakPolarHBondContact O-CE2 3.29Å
346Y89.3Confident94.7Very high33 Ų3330.7 Ų30.713%0.12917%0.17CC..  trans-61139.2178.9-170.6-90.5000111.3V12 T195 Y196 M320 V348 E409V12-Y346 HydrophobicContact CB-CE1 3.93Å; V12-Y346 HydrophobicContact CG1-CD1 4.12Å; V12-Y346 HydrophobicContact CG1-CE1 3.76Å; V12-Y346 HydrophobicContact CG2-CE1 3.9Å; T195-Y346 HydrophobicContact CG2-CD1 4.39Å; T195-Y346 HydrophobicContact CG2-CD2 3.7Å; T195-Y346 HydrophobicContact CG2-CE2 3.95Å; T195-Y346 HydrophobicContact CG2-CG 3.93Å; Y196-Y346 HydrophobicContact CE1-CD2 4.44Å; Y196-Y346 PolarHBondContact OH-N 3.28Å; M320-Y346 VanDerWaalsContact CE-O 3.29Å; M320-Y346 WeakPolarHBondContact CE-O 3.39Å; Y346-V348 HydrophobicContact CD1-CG2 4.23Å; Y346-V348 HydrophobicContact CE1-CG2 4.13Å; Y346-E409 VanDerWaalsContact OH-CD 3.28Å; Y346-E409 WeakPolarHBondContact OH-CG 3.31Å; Y346-E409 PolarHBondContact OH-OE1 3.32Å
347C92.2Very high94.6Very high7 Ų729.8 Ų29.85%0.04717%0.168CC..  trans-115.8125.3173.8-64.10000110M320 I343 A353 K354 L357M320-C347 HydrophobicContact SD-CB 4.43Å; I343-C347 WeakPolarHBondContact CG2-SG 3.49Å; C347-A353 HydrophobicContact CB-CB 4.27Å; C347-A353 VanDerWaalsContact SG-CB 3.56Å; C347-K354 HydrophobicContact CB-CB 3.82Å; C347-K354 HydrophobicContact CB-CD 4.17Å; C347-L357 HydrophobicContact CB-CD1 4.46Å
348V88.8Confident94.5Very high5 Ų531.4 Ų31.43%0.0318%0.176CC..  trans-73.4140.2179.6178.30000109.9V12 P34 M320 Y346 T351 K354V12-V348 HydrophobicContact CG1-CG2 3.96Å; P34-V348 HydrophobicContact CB-CB 4.39Å; P34-V348 HydrophobicContact CB-CG1 4.44Å; P34-V348 HydrophobicContact CB-CG2 4.3Å; P34-V348 HydrophobicContact CG-CG2 4.14Å; M320-V348 HydrophobicContact CE-CB 4.37Å; M320-V348 HydrophobicContact CE-CG2 3.82Å; Y346-V348 HydrophobicContact CD1-CG2 4.23Å; Y346-V348 HydrophobicContact CE1-CG2 4.13Å; V348-T351 HydrophobicContact CB-CG2 4.14Å; V348-T351 WeakPolarHBondContact O-CB 3.29Å; V348-T351 WeakPolarHBondContact O-CG2 3.45Å; V348-T351 PolarHBondContact O-N 3.32Å; V348-T351 PolarHBondContact O-OG1 2.87Å; V348-K354 WeakPolarHBondContact O-CB 3.22Å
349E88.1Confident94.4Very high118 Ų11834.8 Ų34.855%0.55119%0.193SC*.THydrogen-bonded Turntrans-56.4142.8175.5-167.554.3-135.900111.4T351 K354E349-T351 VanDerWaalsContact C-N 3.32Å; E349-K354 VanDerWaalsContact OE2-CE 3.26Å; E349-K354 WeakPolarHBondContact OE2-CE 3.47Å; E349-K354 WeakPolarHBondContact OE2-CG 3.39Å
350G86.8Confident94.3Very high62 Ų6235.7 Ų35.764%0.63920%0.2SC*.THydrogen-bonded Turntrans81.61.5-17400000115.4
351T92.4Very high94.2Very high5 Ų542.3 Ų42.33%0.03124%0.235CC..SBendtrans-97154.7174.168.40000112.3M320 Q322 V348 E349 A353 K354 H355M320-T351 HydrophobicContact CB-CG2 3.97Å; M320-T351 HydrophobicContact CG-CG2 4.16Å; M320-T351 HydrophobicContact SD-CG2 4.1Å; Q322-T351 HydrophobicContact CG-CG2 4.31Å; V348-T351 HydrophobicContact CB-CG2 4.14Å; V348-T351 WeakPolarHBondContact O-CB 3.29Å; V348-T351 WeakPolarHBondContact O-CG2 3.45Å; V348-T351 PolarHBondContact O-N 3.32Å; V348-T351 PolarHBondContact O-OG1 2.87Å; E349-T351 VanDerWaalsContact C-N 3.32Å; T351-A353 VanDerWaalsContact C-N 3.3Å; T351-A353 PolarHBondContact O-N 2.88Å; T351-K354 PolarHBondContact O-N 2.86Å; T351-K354 PolarHBondContact OG1-N 3.4Å; T351-H355 PolarHBondContact O-N 3.2Å; T351-H355 VanDerWaalsContact O-N 3.09Å
352L95Very high94.2Very high22 Ų2246.9 Ų46.912%0.11526%0.256CS..Hα-helixtrans-62.7-39.8175.3-175.878.9000111.3L321 R327 F330 K354 H355 I356 I363L321-L352 HydrophobicContact CB-CB 4.04Å; L321-L352 HydrophobicContact CB-CD2 3.7Å; L321-L352 HydrophobicContact CB-CG 4.3Å; L321-L352 HydrophobicContact CD1-CD2 4.2Å; R327-L352 VanDerWaalsContact CZ-CD2 3.47Å; F330-L352 HydrophobicContact CD1-CD2 4.04Å; F330-L352 HydrophobicContact CE1-CD2 4.2Å; L352-K354 PolarHBondContact O-N 3.46Å; L352-H355 PolarHBondContact O-N 3.07Å; L352-I356 HydrophobicContact CD1-CG2 4.19Å; L352-I356 HydrophobicContact CG-CG2 4.02Å; L352-I356 PolarHBondContact O-N 3.23Å; L352-I363 HydrophobicContact CD1-CB 4.32Å; L352-I363 HydrophobicContact CD1-CD1 4.31Å; L352-I363 HydrophobicContact CD1-CG2 4.15Å
353A96.2Very high94.1Very high0 Ų047.1 Ų47.10%026%0.257CS..Hα-helixtrans-56.8-36.1178.300000112M320 L321 I343 C347 T351 I356 L357M320-A353 WeakPolarHBondContact O-CB 3.46Å; M320-A353 PolarHBondContact O-N 2.84Å; M320-A353 VanDerWaalsContact O-N 3.12Å; L321-A353 HydrophobicContact CB-CB 4.44Å; L321-A353 HydrophobicContact CD1-CB 4.36Å; L321-A353 HydrophobicContact CG-CB 4.36Å; I343-A353 HydrophobicContact CD1-CB 4.11Å; C347-A353 HydrophobicContact CB-CB 4.27Å; C347-A353 VanDerWaalsContact SG-CB 3.56Å; T351-A353 VanDerWaalsContact C-N 3.3Å; T351-A353 PolarHBondContact O-N 2.88Å; A353-I356 WeakPolarHBondContact O-CG1 3.37Å; A353-L357 WeakPolarHBondContact O-CG 3.41Å
354K95Very high93.9Very high60 Ų6050 Ų5026%0.26128%0.282SS..Hα-helixtrans-69.9-45.3172.1-176.766.8167.1-149.90112C347 V348 E349 T351 L352 I356 L357 E409C347-K354 HydrophobicContact CB-CB 3.82Å; C347-K354 HydrophobicContact CB-CD 4.17Å; V348-K354 WeakPolarHBondContact O-CB 3.22Å; E349-K354 VanDerWaalsContact OE2-CE 3.26Å; E349-K354 WeakPolarHBondContact OE2-CE 3.47Å; E349-K354 WeakPolarHBondContact OE2-CG 3.39Å; T351-K354 PolarHBondContact O-N 2.86Å; T351-K354 PolarHBondContact OG1-N 3.4Å; L352-K354 PolarHBondContact O-N 3.46Å; K354-I356 PolarHBondContact O-N 3.1Å; K354-L357 WeakPolarHBondContact O-CB 3.43Å; K354-L357 PolarHBondContact O-N 3.31Å; K354-E409 IonicContact NZ-OE1 2.8Å
355H95.9Very high93.8Very high86 Ų8650 Ų5040%0.39828%0.282SS..Hα-helixtrans-59.7-43.2-178.8-179.4-149.7000112.6T351 L352 L357 T358T351-H355 PolarHBondContact O-N 3.2Å; T351-H355 VanDerWaalsContact O-N 3.09Å; L352-H355 PolarHBondContact O-N 3.07Å; H355-L357 PolarHBondContact O-N 3Å; H355-L357 VanDerWaalsContact O-N 3.16Å; H355-T358 PolarHBondContact O-N 3.34Å; H355-T358 PolarHBondContact O-OG1 3.5Å
356I97.5Very high93.8Very high0 Ų053.2 Ų53.20%029%0.294CS..Hα-helixtrans-68.1-17.6-177.564.6169.8000113.4L321 F330 I343 L352 A353 K354 T358 E359 I363 I377L321-I356 HydrophobicContact CD1-CD1 3.54Å; F330-I356 HydrophobicContact CD2-CD1 4.36Å; F330-I356 HydrophobicContact CE1-CG2 4.11Å; F330-I356 HydrophobicContact CE2-CD1 3.63Å; F330-I356 HydrophobicContact CE2-CG2 4.35Å; F330-I356 HydrophobicContact CZ-CB 4.35Å; F330-I356 HydrophobicContact CZ-CD1 4.02Å; F330-I356 HydrophobicContact CZ-CG2 3.62Å; I343-I356 HydrophobicContact CD1-CD1 4.13Å; I343-I356 HydrophobicContact CG1-CD1 4.3Å; L352-I356 HydrophobicContact CD1-CG2 4.19Å; L352-I356 HydrophobicContact CG-CG2 4.02Å; L352-I356 PolarHBondContact O-N 3.23Å; A353-I356 WeakPolarHBondContact O-CG1 3.37Å; K354-I356 PolarHBondContact O-N 3.1Å; I356-T358 PolarHBondContact O-N 3.38Å; I356-E359 PolarHBondContact O-N 2.87Å; I356-E359 VanDerWaalsContact O-N 3.07Å; I356-I363 HydrophobicContact CG2-CG2 4.28Å; I356-I377 HydrophobicContact CD1-CD1 4.25Å; I356-I377 HydrophobicContact CD1-CG2 4.49Å; I356-I377 HydrophobicContact CG1-CG2 4.46Å
357L96.7Very high93.8Very high56 Ų5657 Ų5729%0.29332%0.317SS..THydrogen-bonded Turntrans-69.3-15.7173.7-63.8177.5000113I343 C347 A353 K354 H355 E359 I377 Y379I343-L357 HydrophobicContact CB-CD2 4.03Å; I343-L357 HydrophobicContact CG1-CD2 3.9Å; I343-L357 HydrophobicContact CG2-CD2 4.34Å; C347-L357 HydrophobicContact CB-CD1 4.46Å; A353-L357 WeakPolarHBondContact O-CG 3.41Å; K354-L357 WeakPolarHBondContact O-CB 3.43Å; K354-L357 PolarHBondContact O-N 3.31Å; H355-L357 PolarHBondContact O-N 3Å; H355-L357 VanDerWaalsContact O-N 3.16Å; L357-E359 PolarHBondContact O-N 2.78Å; L357-I377 HydrophobicContact CD2-CG2 4.25Å; L357-Y379 HydrophobicContact CD1-CD2 4.17Å; L357-Y379 HydrophobicContact CD2-CD2 4.1Å; L357-Y379 HydrophobicContact CD2-CG 4.44Å
358T96.2Very high93.6Very high101 Ų10159.5 Ų59.562%0.6234%0.344SS*.THydrogen-bonded Turntrans-84.15.6171.473.30000112.4H355 I356H355-T358 PolarHBondContact O-N 3.34Å; H355-T358 PolarHBondContact O-OG1 3.5Å; I356-T358 PolarHBondContact O-N 3.38Å
359E94.6Very high93.8Very high146 Ų14665.3 Ų65.368%0.68237%0.37SS*.  trans49.354.5-177.8-60.7-179-16500113.1I356 L357I356-E359 PolarHBondContact O-N 2.87Å; I356-E359 VanDerWaalsContact O-N 3.07Å; L357-E359 PolarHBondContact O-N 2.78Å
360P96.7Very high94.2Very high21 Ų2168.7 Ų68.714%0.13638%0.378CS..  trans-68.2145.3179.831.7-35.8000111.1E362 I363 V373P360-E362 VanDerWaalsContact C-N 3.29Å; P360-E362 PolarHBondContact O-N 3.16Å; P360-I363 HydrophobicContact CG-CG2 3.92Å; P360-V373 WeakPolarHBondContact O-CB 3.46Å
361D97.2Very high94.7Very high139 Ų13967.6 Ų67.674%0.74336%0.357SS*.SBendtrans-66.6-31.4176.4-67.1-47000112.8S372 V373D361-S372 CarbonylContact O-C 3.38Å; D361-S372 WeakPolarHBondContact O-CA 3.25Å; D361-V373 PolarHBondContact O-N 2.85Å
362E97.3Very high95Very high95 Ų9569.7 Ų69.744%0.44437%0.372SS..EExtended strand (participates in β ladder)trans-138.1149.3-178.8-63.1-172.2153.100112.1P360 R370 L371P360-E362 VanDerWaalsContact C-N 3.29Å; P360-E362 PolarHBondContact O-N 3.16Å; E362-R370 WeakPolarHBondContact OE2-CD 3.24Å; E362-R370 IonicContact OE2-NH1 2.61Å; E362-R370 PolarHBondContact OE2-NH1 2.8Å; E362-L371 CarbonylContact C-O 3.57Å; E362-L371 WeakPolarHBondContact CA-O 3.4Å
363I96.5Very high95.1Very high5 Ų569.4 Ų69.43%0.02637%0.372CS..EExtended strand (participates in β ladder)trans-129.2155.7168.857.4133.6000110.8F330 L352 I356 P360 R370 L371 V373F330-I363 HydrophobicContact CD1-CD1 4.06Å; F330-I363 HydrophobicContact CE1-CD1 3.6Å; F330-I363 HydrophobicContact CE1-CG1 4.31Å; L352-I363 HydrophobicContact CD1-CB 4.32Å; L352-I363 HydrophobicContact CD1-CD1 4.31Å; L352-I363 HydrophobicContact CD1-CG2 4.15Å; I356-I363 HydrophobicContact CG2-CG2 4.28Å; P360-I363 HydrophobicContact CG-CG2 3.92Å; I363-R370 WeakPolarHBondContact O-CA 3.4Å; I363-L371 HydrophobicContact CD1-CD1 4.43Å; I363-L371 HydrophobicContact CG1-CB 4.24Å; I363-L371 PolarHBondContact N-O 2.58Å; I363-L371 PolarHBondContact O-N 2.84Å; I363-V373 HydrophobicContact CB-CG2 4.38Å; I363-V373 HydrophobicContact CG1-CG2 3.8Å; I363-V373 HydrophobicContact CG2-CG2 3.87Å
364A94.8Very high95.2Very high64 Ų6476.5 Ų76.553%0.52940%0.398SS..EExtended strand (participates in β ladder)trans-78.2131.3168.100000109.8R327R327-A364 PolarHBondContact NH2-O 3.07Å
365A93.4Very high95.4Very high8 Ų874.1 Ų74.17%0.06639%0.388CS..  trans-77.4164170.200000111.4E331 N367 G368 H369 L371E331-A365 VanDerWaalsContact OE1-CA 3.27Å; E331-A365 WeakPolarHBondContact OE1-CA 3.44Å; E331-A365 WeakPolarHBondContact OE2-CB 3.23Å; A365-N367 VanDerWaalsContact CB-OD1 3.27Å; A365-N367 WeakPolarHBondContact CB-OD1 3.22Å; A365-N367 PolarHBondContact O-N 3.35Å; A365-G368 PolarHBondContact O-N 2.95Å; A365-H369 VanDerWaalsContact CB-O 3.27Å; A365-H369 WeakPolarHBondContact CB-O 3.24Å; A365-H369 PolarHBondContact N-O 2.89Å; A365-L371 HydrophobicContact CB-CD1 3.78Å; A365-L371 HydrophobicContact CB-CG 4.01Å
366L88.7Confident95.5Very high84 Ų8473.6 Ų73.644%0.4439%0.386SS..THydrogen-bonded Turntrans-58.7-31.8175.1-75.1176.1000112.9R327 E331 G368R327-L366 HydrophobicContact CG-CD1 3.6Å; R327-L366 HydrophobicContact CG-CD2 4.39Å; R327-L366 HydrophobicContact CG-CG 3.88Å; E331-L366 WeakPolarHBondContact OE1-CG 3.4Å; E331-L366 PolarHBondContact OE1-N 3.25Å; E331-L366 PolarHBondContact OE2-N 2.91Å; L366-G368 VanDerWaalsContact C-N 3.26Å; L366-G368 PolarHBondContact O-N 3.43Å
367N89.7Confident95.5Very high112 Ų11274.6 Ų74.660%0.59939%0.391SS*.THydrogen-bonded Turntrans-84.33.8175.76415.1000113.8A365 H369A365-N367 VanDerWaalsContact CB-OD1 3.27Å; A365-N367 WeakPolarHBondContact CB-OD1 3.22Å; A365-N367 PolarHBondContact O-N 3.35Å; N367-H369 VanDerWaalsContact CG-CD2 3.46Å; N367-H369 PolarHBondContact ND2-CD2 2.71Å; N367-H369 WeakPolarHBondContact OD1-CB 3.25Å; N367-H369 PolarHBondContact OD1-CD2 2.97Å; N367-H369 VanDerWaalsContact OD1-CD2 3.25Å; N367-H369 PolarHBondContact OD1-N 2.75Å; N367-H369 VanDerWaalsContact OD1-N 3.09Å
368G88.8Confident95.6Very high60 Ų6072.7 Ų72.762%0.61938%0.383SS*.SBendtrans86.5-5.8178.200000115.4A365 L366A365-G368 PolarHBondContact O-N 2.95Å; L366-G368 VanDerWaalsContact C-N 3.26Å; L366-G368 PolarHBondContact O-N 3.43Å
369H92.9Very high95.6Very high127 Ų12771.8 Ų71.859%0.58837%0.369SS*.  trans-70.9153.8173.7-65.8-53.1000111.8A365 N367A365-H369 VanDerWaalsContact CB-O 3.27Å; A365-H369 WeakPolarHBondContact CB-O 3.24Å; A365-H369 PolarHBondContact N-O 2.89Å; N367-H369 VanDerWaalsContact CG-CD2 3.46Å; N367-H369 PolarHBondContact ND2-CD2 2.71Å; N367-H369 WeakPolarHBondContact OD1-CB 3.25Å; N367-H369 PolarHBondContact OD1-CD2 2.97Å; N367-H369 VanDerWaalsContact OD1-CD2 3.25Å; N367-H369 PolarHBondContact OD1-N 2.75Å; N367-H369 VanDerWaalsContact OD1-N 3.09Å
370R96.1Very high95.7Very high190 Ų19064.9 Ų64.972%0.71734%0.337SS*.EExtended strand (participates in β ladder)trans-87.6135.6171.4-63-165.7-176.4-175.9-1.1110.1E362 I363E362-R370 WeakPolarHBondContact OE2-CD 3.24Å; E362-R370 IonicContact OE2-NH1 2.61Å; E362-R370 PolarHBondContact OE2-NH1 2.8Å; I363-R370 WeakPolarHBondContact O-CA 3.4Å
371L97.2Very high95.5Very high38 Ų3864.5 Ų64.520%0.19934%0.335CS..EExtended strand (participates in β ladder)trans-117.3130.4176.1-58.7173.7000108.9E331 E362 I363 A365E331-L371 HydrophobicContact CB-CD1 3.59Å; E331-L371 HydrophobicContact CG-CD1 3.66Å; E362-L371 CarbonylContact C-O 3.57Å; E362-L371 WeakPolarHBondContact CA-O 3.4Å; I363-L371 HydrophobicContact CD1-CD1 4.43Å; I363-L371 HydrophobicContact CG1-CB 4.24Å; I363-L371 PolarHBondContact N-O 2.58Å; I363-L371 PolarHBondContact O-N 2.84Å; A365-L371 HydrophobicContact CB-CD1 3.78Å; A365-L371 HydrophobicContact CB-CG 4.01Å
372S97.8Very high95.3Very high49 Ų4958.3 Ų58.334%0.34330%0.301SS..EExtended strand (participates in β ladder)trans-71.4132.3170.9177.50000109.5C334 S335 D361C334-S372 CarbonylContact C-O 3.56Å; S335-S372 WeakPolarHBondContact CA-O 3.25Å; S335-S372 WeakPolarHBondContact CB-O 3.35Å; S335-S372 PolarHBondContact N-O 2.75Å; S335-S372 PolarHBondContact OG-O 2.81Å; D361-S372 CarbonylContact O-C 3.38Å; D361-S372 WeakPolarHBondContact O-CA 3.25Å
373V98.1Very high95Very high17 Ų1754.4 Ų54.410%0.10328%0.284CS..  trans-99.3108.7175.5-175.10000108.2P360 D361 I363 M375 I377P360-V373 WeakPolarHBondContact O-CB 3.46Å; D361-V373 PolarHBondContact O-N 2.85Å; I363-V373 HydrophobicContact CB-CG2 4.38Å; I363-V373 HydrophobicContact CG1-CG2 3.8Å; I363-V373 HydrophobicContact CG2-CG2 3.87Å; V373-M375 HydrophobicContact CG1-CG 4.38Å; V373-I377 HydrophobicContact CG1-CD1 4.42Å
374R98.2Very high94.7Very high148 Ų14854.2 Ų54.256%0.55828%0.284SS*.  trans-120.4-14177.5-59-170.8-63.2-179.7-0113C334 S335 P337C334-R374 PolarHBondContact O-N 3.03Å; S335-R374 PolarHBondContact O-NE 3.32Å; S335-R374 PolarHBondContact O-NH2 2.88Å; P337-R374 WeakPolarHBondContact CA-O 3.45Å; P337-R374 HydrophobicContact CB-CB 4.31Å
375M98.3Very high94.8Very high10 Ų1052 Ų525%0.04926%0.263CS..SBendtrans-63.2154.7175.976.3-179.3-42.400111.2F330 C334 N339 G340 C341 V373 I377F330-M375 HydrophobicContact CD2-SD 3.91Å; F330-M375 HydrophobicContact CE2-SD 3.52Å; F330-M375 VanDerWaalsContact CE2-SD 3.52Å; F330-M375 HydrophobicContact CZ-SD 4.2Å; C334-M375 VanDerWaalsContact CA-SD 3.51Å; C334-M375 HydrophobicContact CB-CG 4.42Å; C334-M375 HydrophobicContact CB-SD 3.85Å; C334-M375 PolarHBondContact O-N 3.2Å; N339-M375 HydrophobicContact CB-CB 4.02Å; N339-M375 HydrophobicContact CB-CE 3.95Å; G340-M375 WeakPolarHBondContact O-CE 3.47Å; C341-M375 HydrophobicContact CB-CE 3.72Å; C341-M375 HydrophobicContact CB-SD 3.88Å; V373-M375 HydrophobicContact CG1-CG 4.38Å; M375-I377 HydrophobicContact CG-CD1 3.77Å; M375-I377 PolarHBondContact O-N 3.14Å; M375-I377 HydrophobicContact SD-CD1 4.08Å
376Q98.3Very high94.9Very high75 Ų7551.8 Ų51.835%0.3526%0.26SS..EExtended strand (participates in β ladder)trans-68125.5173.4-179-178.38.800110.8N339 G340 C341N339-Q376 PolarHBondContact O-N 3.02Å; G340-Q376 CarbonylContact C-O 3.57Å; G340-Q376 WeakPolarHBondContact CA-O 3.18Å; C341-Q376 PolarHBondContact N-O 3.29Å
377I98.3Very high95.2Very high22 Ų2248.2 Ų48.211%0.11324%0.241CC..EExtended strand (participates in β ladder)trans-98.9131.7167.8-51.5-55.5000108.7F330 C341 I356 L357 V373 M375F330-I377 HydrophobicContact CE2-CD1 4.09Å; F330-I377 HydrophobicContact CZ-CD1 4.49Å; C341-I377 HydrophobicContact CB-CD1 3.82Å; I356-I377 HydrophobicContact CD1-CD1 4.25Å; I356-I377 HydrophobicContact CD1-CG2 4.49Å; I356-I377 HydrophobicContact CG1-CG2 4.46Å; L357-I377 HydrophobicContact CD2-CG2 4.25Å; V373-I377 HydrophobicContact CG1-CD1 4.42Å; M375-I377 HydrophobicContact CG-CD1 3.77Å; M375-I377 PolarHBondContact O-N 3.14Å; M375-I377 HydrophobicContact SD-CD1 4.08Å
378A98Very high95.6Very high15 Ų1544.8 Ų44.812%0.12422%0.221CC..EExtended strand (participates in β ladder)trans-132.4135.9177.900000111V214 C341 I342 I343V214-A378 HydrophobicContact CG1-CB 4.03Å; C341-A378 PolarHBondContact O-N 2.72Å; I342-A378 CarbonylContact C-O 3.57Å; I342-A378 WeakPolarHBondContact CA-O 3.33Å; I342-A378 HydrophobicContact CG1-CB 4.36Å; I343-A378 PolarHBondContact N-O 2.84Å
379Y96.8Very high95.9Very high83 Ų8345.9 Ų45.933%0.32521%0.212SC..EExtended strand (participates in β ladder)trans-107.6116.2173.5-177.4-105.6000111.1R210 I343 G345 L357 S381R210-Y379 PolarHBondContact NH1-O 3.15Å; R210-Y379 VanDerWaalsContact NH1-O 3.1Å; I343-Y379 HydrophobicContact CB-CD2 4.1Å; I343-Y379 HydrophobicContact CG2-CD2 3.74Å; I343-Y379 HydrophobicContact CG2-CE2 4.02Å; G345-Y379 WeakPolarHBondContact O-CE2 3.29Å; L357-Y379 HydrophobicContact CD1-CD2 4.17Å; L357-Y379 HydrophobicContact CD2-CD2 4.1Å; L357-Y379 HydrophobicContact CD2-CG 4.44Å; Y379-S381 WeakPolarHBondContact OH-CB 3.5Å
380I96.5Very high96.1Very high1 Ų140.5 Ų40.51%0.00519%0.187CC..  trans-138.289.7179.5-49.4177.1000108.2R207 R210 F211 V214 I342 I343 A344 F382R207-I380 HydrophobicContact CG-CG2 3.84Å; R210-I380 HydrophobicContact CG-CD1 4.16Å; F211-I380 HydrophobicContact CB-CD1 4.32Å; F211-I380 HydrophobicContact CB-CG2 4.19Å; F211-I380 HydrophobicContact CD2-CD1 4.48Å; V214-I380 HydrophobicContact CB-CD1 4.16Å; V214-I380 HydrophobicContact CG2-CD1 4.04Å; I342-I380 HydrophobicContact CG2-CB 4.29Å; I342-I380 HydrophobicContact CG2-CD1 4.15Å; I342-I380 HydrophobicContact CG2-CG1 4.21Å; I343-I380 PolarHBondContact O-N 3.26Å; A344-I380 VanDerWaalsContact CA-O 3.29Å; A344-I380 WeakPolarHBondContact CA-O 3.08Å; I380-F382 HydrophobicContact CB-CE2 4.41Å; I380-F382 HydrophobicContact CG2-CD2 4.33Å; I380-F382 HydrophobicContact CG2-CE2 3.67Å; I380-F382 HydrophobicContact CG2-CZ 4.43Å; I380-F382 VanDerWaalsContact O-CD2 3.26Å; I380-F382 WeakPolarHBondContact O-CD2 3.49Å; I380-F382 PolarHBondContact O-N 2.85Å
381S93.1Very high96.2Very high13 Ų1331.6 Ų31.69%0.09115%0.154CC..  trans-69.7118-172.8-170.40000113Y196 R207 Y379 S383Y196-S381 PolarHBondContact OH-OG 2.92Å; Y196-S381 VanDerWaalsContact OH-OG 3.06Å; R207-S381 WeakPolarHBondContact CD-O 3.48Å; R207-S381 VanDerWaalsContact CZ-O 3.31Å; R207-S381 PolarHBondContact NE-O 2.83Å; R207-S381 VanDerWaalsContact NE-O 3.16Å; R207-S381 PolarHBondContact NH1-O 2.84Å; Y379-S381 WeakPolarHBondContact OH-CB 3.5Å; S381-S383 WeakPolarHBondContact OG-CB 3.29Å; S381-S383 PolarHBondContact OG-N 2.88Å
382F93.5Very high96.1Very high8 Ų830 Ų304%0.03515%0.146CC..  trans-103.624.1165.7-74.3-93.3000111.8R207 E208 F211 R234 L238 I241 A344 I380R207-F382 HydrophobicContact CG-CE1 4.02Å; R207-F382 HydrophobicContact CG-CE2 4.05Å; R207-F382 HydrophobicContact CG-CZ 3.76Å; E208-F382 HydrophobicContact CG-CE1 4.1Å; F211-F382 HydrophobicContact CB-CE2 3.68Å; F211-F382 HydrophobicContact CB-CZ 3.57Å; F211-F382 HydrophobicContact CD1-CE2 4.24Å; F211-F382 AromaticContact CD1-CZ 3.99Å; F211-F382 HydrophobicContact CD1-CZ 3.99Å; F211-F382 AromaticContact CD2-CE2 3.86Å; F211-F382 HydrophobicContact CD2-CE2 3.86Å; F211-F382 HydrophobicContact CD2-CZ 4.4Å; F211-F382 AromaticContact CG-CE2 3.66Å; F211-F382 HydrophobicContact CG-CE2 3.66Å; F211-F382 AromaticContact CG-CZ 3.74Å; F211-F382 HydrophobicContact CG-CZ 3.74Å; R234-F382 WeakPolarHBondContact CD-O 3.37Å; L238-F382 HydrophobicContact CD2-CB 4.17Å; L238-F382 HydrophobicContact CD2-CD1 4Å; L238-F382 HydrophobicContact CD2-CD2 3.54Å; L238-F382 HydrophobicContact CD2-CE1 4.27Å; L238-F382 HydrophobicContact CD2-CE2 3.82Å; L238-F382 HydrophobicContact CD2-CG 3.63Å; L238-F382 HydrophobicContact CD2-CZ 4.18Å; I241-F382 HydrophobicContact CD1-CD1 4.08Å; I241-F382 HydrophobicContact CD1-CE1 3.51Å; I241-F382 HydrophobicContact CD1-CZ 4.19Å; A344-F382 HydrophobicContact CB-CD2 4.43Å; A344-F382 PolarHBondContact O-N 3.48Å; I380-F382 HydrophobicContact CB-CE2 4.41Å; I380-F382 HydrophobicContact CG2-CD2 4.33Å; I380-F382 HydrophobicContact CG2-CE2 3.67Å; I380-F382 HydrophobicContact CG2-CZ 4.43Å; I380-F382 VanDerWaalsContact O-CD2 3.26Å; I380-F382 WeakPolarHBondContact O-CD2 3.49Å; I380-F382 PolarHBondContact O-N 2.85Å
383S89.9Confident96Very high13 Ų1330.6 Ų30.69%0.09115%0.145CC..  trans-62.3137.8-176.4-162.40000111.9Y196 S381 H385Y196-S383 VanDerWaalsContact CE2-OG 3.23Å; Y196-S383 WeakPolarHBondContact CE2-OG 3.33Å; Y196-S383 WeakPolarHBondContact OH-CB 2.82Å; Y196-S383 PolarHBondContact OH-OG 2.82Å; S381-S383 WeakPolarHBondContact OG-CB 3.29Å; S381-S383 PolarHBondContact OG-N 2.88Å; S383-H385 PolarHBondContact OG-CD2 3.17Å
384A91Very high96Very high2 Ų229.8 Ų29.82%0.01714%0.14CC..  trans-103.540.3176.700000112.1H147 F169 S170H147-A384 PolarHBondContact ND1-O 2.63Å; F169-A384 CarbonylContact C-O 3.56Å; S170-A384 WeakPolarHBondContact CB-O 3.35Å
385H95.2Very high95.9Very high18 Ų1822.8 Ų22.88%0.08311%0.114CC..SBendtrans-95.1162.2162.3-67.9-100000108.6H147 D168 F169 E193 T195 Y196 H201 S383 H407H147-H385 AromaticContact CE1-CD2 3.72Å; H147-H385 AromaticContact CE1-CE1 3.8Å; H147-H385 AromaticContact CE1-NE2 3.41Å; H147-H385 PolarHBondContact CE1-NE2 3.39Å; D168-H385 IonicContact OD1-CE1 3.27Å; D168-H385 PolarHBondContact OD1-CE1 3.03Å; D168-H385 IonicContact OD1-ND1 2.63Å; D168-H385 PolarHBondContact OD1-ND1 3.24Å; D168-H385 IonicContact OD2-CE1 3.3Å; D168-H385 PolarHBondContact OD2-CE1 3.39Å; D168-H385 IonicContact OD2-ND1 3.13Å; D168-H385 IonicContact OD2-NE2 2.7Å; F169-H385 CarbonylContact O-C 3.55Å; F169-H385 VanDerWaalsContact O-C 3.25Å; F169-H385 WeakPolarHBondContact O-CA 3.45Å; E193-H385 VanDerWaalsContact CD-ND1 3.3Å; E193-H385 IonicContact OE1-CG 3.47Å; E193-H385 IonicContact OE1-ND1 3.17Å; E193-H385 PolarHBondContact OE1-ND1 3.48Å; E193-H385 WeakPolarHBondContact OE2-CB 3.42Å; E193-H385 IonicContact OE2-CE1 2.81Å; E193-H385 IonicContact OE2-CG 3.53Å; E193-H385 IonicContact OE2-ND1 3.61Å; E193-H385 PolarHBondContact OE2-ND1 2.95Å; T195-H385 PolarHBondContact OG1-ND1 3.24Å; Y196-H385 HydrophobicContact CD2-CB 3.75Å; Y196-H385 HydrophobicContact CE2-CB 3.84Å; H201-H385 PolarHBondContact CE1-O 2.67Å; S383-H385 PolarHBondContact OG-CD2 3.17Å; H385-H407 AromaticContact CE1-CE1 3.88Å
386T96.4Very high95.6Very high2 Ų227.5 Ų27.51%0.01213%0.131CC..  trans-68.9140.6171.152.90000111.6F169 R171 Q390 T391F169-T386 HydrophobicContact CD1-CG2 3.76Å; F169-T386 HydrophobicContact CD2-CG2 3.88Å; F169-T386 HydrophobicContact CE1-CG2 3.43Å; F169-T386 VanDerWaalsContact CE1-CG2 3.43Å; F169-T386 VanDerWaalsContact CE1-OG1 3.27Å; F169-T386 WeakPolarHBondContact CE1-OG1 3.48Å; F169-T386 HydrophobicContact CE2-CG2 3.57Å; F169-T386 HydrophobicContact CG-CG2 3.98Å; F169-T386 HydrophobicContact CZ-CG2 3.33Å; F169-T386 WeakPolarHBondContact O-CG2 3.32Å; F169-T386 PolarHBondContact O-N 2.94Å; R171-T386 HydrophobicContact CG-CG2 4.24Å; T386-Q390 HydrophobicContact CG2-CB 3.7Å; T386-T391 WeakPolarHBondContact CB-OG1 3.47Å; T386-T391 PolarHBondContact OG1-OG1 3.14Å
387D95.6Very high95.4Very high9 Ų928.9 Ų28.95%0.04814%0.138CC..  trans-90.3175162.176.9-22.7000109.7Q199 H201 N389 Q390 T391Q199-D387 WeakPolarHBondContact O-CB 3.45Å; H201-D387 HydrophobicContact CB-CB 4.09Å; H201-D387 PolarHBondContact N-OD2 2.95Å; D387-N389 VanDerWaalsContact C-N 3.26Å; D387-N389 PolarHBondContact O-N 2.82Å; D387-N389 VanDerWaalsContact O-N 3.16Å; D387-Q390 PolarHBondContact O-N 2.78Å; D387-Q390 VanDerWaalsContact O-N 3.1Å; D387-Q390 WeakPolarHBondContact OD1-CB 3.32Å; D387-Q390 WeakPolarHBondContact OD1-CG 3.45Å; D387-Q390 PolarHBondContact OD1-N 3.06Å; D387-Q390 VanDerWaalsContact OD1-N 3.09Å; D387-Q390 PolarHBondContact OD1-NE2 3.26Å; D387-T391 PolarHBondContact O-N 2.98Å; D387-T391 PolarHBondContact O-OG1 3.12Å
388Y97.2Very high95.2Very high41 Ų4128 Ų2816%0.16113%0.133CC..Hα-helixtrans-51.1-44.7-177.2177.8-113.2000113.7T198 Q199 Q390 T391 S392 L416 A419 I420 E423T198-Y388 HydrophobicContact CG2-CD2 4.15Å; T198-Y388 HydrophobicContact CG2-CE2 4.42Å; Q199-Y388 WeakPolarHBondContact O-CB 3.49Å; Q199-Y388 PolarHBondContact O-N 3.46Å; Y388-Q390 PolarHBondContact O-N 3.25Å; Y388-T391 PolarHBondContact O-N 3.3Å; Y388-S392 WeakPolarHBondContact O-CB 3.29Å; Y388-S392 PolarHBondContact O-N 3.26Å; Y388-L416 HydrophobicContact CD2-CD1 3.78Å; Y388-L416 HydrophobicContact CE2-CD1 4.13Å; Y388-A419 HydrophobicContact CE2-CB 3.61Å; Y388-I420 HydrophobicContact CE2-CD1 4.19Å; Y388-E423 PolarHBondContact OH-OE1 2.74Å
389N96.2Very high95Very high82 Ų8232 Ų3244%0.43915%0.148SC..Hα-helixtrans-64.6-42.7-177.4-72.6-36.9000111.6I200 D387 N393I200-N389 WeakPolarHBondContact CG2-ND2 3.33Å; D387-N389 VanDerWaalsContact C-N 3.26Å; D387-N389 PolarHBondContact O-N 2.82Å; D387-N389 VanDerWaalsContact O-N 3.16Å; N389-N393 WeakPolarHBondContact O-CB 3.4Å; N389-N393 PolarHBondContact O-N 2.89Å
390Q96.9Very high94.9Very high15 Ų1528.2 Ų28.27%0.0713%0.133CC..Hα-helixtrans-65.4-47.1176.2-70.3171.478.600111.3R171 L172 T386 D387 Y388 N393 F394R171-Q390 HydrophobicContact CB-CB 4.07Å; R171-Q390 HydrophobicContact CB-CG 3.93Å; R171-Q390 HydrophobicContact CG-CB 4.35Å; L172-Q390 HydrophobicContact CG-CG 4.37Å; T386-Q390 HydrophobicContact CG2-CB 3.7Å; D387-Q390 PolarHBondContact O-N 2.78Å; D387-Q390 VanDerWaalsContact O-N 3.1Å; D387-Q390 WeakPolarHBondContact OD1-CB 3.32Å; D387-Q390 WeakPolarHBondContact OD1-CG 3.45Å; D387-Q390 PolarHBondContact OD1-N 3.06Å; D387-Q390 VanDerWaalsContact OD1-N 3.09Å; D387-Q390 PolarHBondContact OD1-NE2 3.26Å; Y388-Q390 PolarHBondContact O-N 3.25Å; Q390-N393 PolarHBondContact O-N 2.96Å; Q390-F394 VanDerWaalsContact O-CB 3.29Å; Q390-F394 WeakPolarHBondContact O-CB 3.44Å; Q390-F394 PolarHBondContact O-N 2.86Å
391T97.4Very high94.7Very high2 Ų229.9 Ų29.91%0.01214%0.144CC..Hα-helixtrans-60.8-52.4178.9-50.90000111.5L192 T386 D387 Y388 N393 F394 I395 L416L192-T391 HydrophobicContact CD1-CG2 3.58Å; T386-T391 WeakPolarHBondContact CB-OG1 3.47Å; T386-T391 PolarHBondContact OG1-OG1 3.14Å; D387-T391 PolarHBondContact O-N 2.98Å; D387-T391 PolarHBondContact O-OG1 3.12Å; Y388-T391 PolarHBondContact O-N 3.3Å; T391-N393 VanDerWaalsContact C-N 3.34Å; T391-N393 PolarHBondContact O-N 3.47Å; T391-F394 WeakPolarHBondContact O-CB 3.28Å; T391-F394 PolarHBondContact O-N 2.79Å; T391-I395 HydrophobicContact CG2-CD1 4.12Å; T391-I395 WeakPolarHBondContact O-CG1 3.27Å; T391-I395 PolarHBondContact O-N 2.87Å; T391-L416 HydrophobicContact CG2-CD1 4.21Å; T391-L416 HydrophobicContact CG2-CD2 4.19Å
392S96.2Very high94.8Very high4 Ų430 Ų303%0.02814%0.144CC..Hα-helixtrans-57.5-45.9178.2165.80000111.4Y388 F394 I395 R396 E423Y388-S392 WeakPolarHBondContact O-CB 3.29Å; Y388-S392 PolarHBondContact O-N 3.26Å; S392-F394 PolarHBondContact O-N 3.36Å; S392-I395 PolarHBondContact O-N 2.8Å; S392-R396 WeakPolarHBondContact O-CB 3.16Å; S392-R396 PolarHBondContact O-N 2.77Å; S392-R396 PolarHBondContact OG-NH2 2.88Å; S392-E423 WeakPolarHBondContact CB-OE1 3.33Å; S392-E423 PolarHBondContact OG-OE1 3.26Å; S392-E423 PolarHBondContact OG-OE2 2.74Å
393N95.5Very high95Very high63 Ų6329.7 Ų29.734%0.33714%0.143SC..Hα-helixtrans-64.8-39.4177.6-172.2-83.3000112.8N389 Q390 T391 R396 Q397N389-N393 WeakPolarHBondContact O-CB 3.4Å; N389-N393 PolarHBondContact O-N 2.89Å; Q390-N393 PolarHBondContact O-N 2.96Å; T391-N393 VanDerWaalsContact C-N 3.34Å; T391-N393 PolarHBondContact O-N 3.47Å; N393-R396 PolarHBondContact O-N 2.81Å; N393-Q397 WeakPolarHBondContact O-CG 3.41Å; N393-Q397 PolarHBondContact O-N 3.44Å; N393-Q397 PolarHBondContact OD1-NE2 2.81Å
394F97.4Very high95.4Very high0 Ų029.1 Ų29.10%014%0.139CC..Hα-helixtrans-63.3-46.7177.4-167.9-114000111.8M153 L164 T166 F169 M182 L190 Q390 T391 S392 R396 Q397 L398M153-F394 HydrophobicContact CE-CZ 4.17Å; M153-F394 HydrophobicContact SD-CE1 4.48Å; M153-F394 HydrophobicContact SD-CZ 3.85Å; L164-F394 HydrophobicContact CD2-CE1 4.19Å; L164-F394 HydrophobicContact CD2-CZ 4.04Å; T166-F394 HydrophobicContact CG2-CE1 3.95Å; F169-F394 HydrophobicContact CE2-CB 4.35Å; F169-F394 AromaticContact CE2-CD1 3.67Å; F169-F394 HydrophobicContact CE2-CD1 3.67Å; F169-F394 HydrophobicContact CE2-CD2 4.11Å; F169-F394 AromaticContact CE2-CE1 3.85Å; F169-F394 HydrophobicContact CE2-CE1 3.85Å; F169-F394 HydrophobicContact CE2-CE2 4.28Å; F169-F394 AromaticContact CE2-CG 3.8Å; F169-F394 HydrophobicContact CE2-CG 3.8Å; F169-F394 HydrophobicContact CE2-CZ 4.14Å; F169-F394 AromaticContact CZ-CD1 3.85Å; F169-F394 HydrophobicContact CZ-CD1 3.85Å; F169-F394 HydrophobicContact CZ-CE1 4.23Å; F169-F394 HydrophobicContact CZ-CG 4.23Å; M182-F394 HydrophobicContact CE-CD2 4.39Å; M182-F394 HydrophobicContact CE-CE2 4.49Å; M182-F394 HydrophobicContact SD-CD2 3.65Å; M182-F394 HydrophobicContact SD-CE2 3.73Å; L190-F394 HydrophobicContact CD1-CE1 4.15Å; L190-F394 HydrophobicContact CD2-CD1 4.29Å; L190-F394 HydrophobicContact CD2-CE1 4.46Å; Q390-F394 VanDerWaalsContact O-CB 3.29Å; Q390-F394 WeakPolarHBondContact O-CB 3.44Å; Q390-F394 PolarHBondContact O-N 2.86Å; T391-F394 WeakPolarHBondContact O-CB 3.28Å; T391-F394 PolarHBondContact O-N 2.79Å; S392-F394 PolarHBondContact O-N 3.36Å; F394-R396 VanDerWaalsContact C-N 3.34Å; F394-R396 PolarHBondContact O-N 2.89Å; F394-Q397 PolarHBondContact O-N 3.21Å; F394-L398 HydrophobicContact CD1-CD1 3.84Å; F394-L398 HydrophobicContact CE1-CD1 3.42Å; F394-L398 VanDerWaalsContact CE1-CD1 3.42Å; F394-L398 HydrophobicContact CE2-CD1 4.2Å; F394-L398 HydrophobicContact CG-CD1 4.4Å; F394-L398 HydrophobicContact CZ-CD1 3.63Å; F394-L398 HydrophobicContact CZ-CG 4.49Å; F394-L398 WeakPolarHBondContact O-CB 3.45Å; F394-L398 PolarHBondContact O-N 2.91Å
395I96.1Very high95.8Very high0 Ų029 Ų290%014%0.138CC..Hα-helixtrans-61-44.2174.3-61.4170.1000110.4L190 L192 T391 S392 Q397 L398 K399 P400 F405 I420 Y424 I432L190-I395 HydrophobicContact CD2-CG1 4.01Å; L192-I395 HydrophobicContact CD1-CD1 3.93Å; L192-I395 HydrophobicContact CD1-CG1 3.96Å; T391-I395 HydrophobicContact CG2-CD1 4.12Å; T391-I395 WeakPolarHBondContact O-CG1 3.27Å; T391-I395 PolarHBondContact O-N 2.87Å; S392-I395 PolarHBondContact O-N 2.8Å; I395-Q397 VanDerWaalsContact C-N 3.32Å; I395-Q397 PolarHBondContact O-N 3.48Å; I395-L398 PolarHBondContact O-N 3.26Å; I395-K399 WeakPolarHBondContact O-CA 3.35Å; I395-K399 PolarHBondContact O-N 3.41Å; I395-P400 HydrophobicContact CG2-CG 4.17Å; I395-P400 WeakPolarHBondContact O-CD 3.34Å; I395-F405 HydrophobicContact CD1-CE1 4.04Å; I395-F405 HydrophobicContact CD1-CZ 4.05Å; I395-I420 HydrophobicContact CD1-CD1 3.93Å; I395-I420 HydrophobicContact CD1-CG1 3.97Å; I395-I420 HydrophobicContact CD1-CG2 4.13Å; I395-Y424 HydrophobicContact CG2-CE2 4.23Å; I395-Y424 PolarHBondContact O-OH 2.65Å; I395-I432 HydrophobicContact CG2-CD1 3.52Å
396R92.9Very high95.9Very high109 Ų10928.4 Ų28.441%0.41114%0.135SC..Hα-helixtrans-60-39.9179.6-169.9-177.2-56.7104.78.2113.2S392 N393 F394 K399 E423 Y424S392-R396 WeakPolarHBondContact O-CB 3.16Å; S392-R396 PolarHBondContact O-N 2.77Å; S392-R396 PolarHBondContact OG-NH2 2.88Å; N393-R396 PolarHBondContact O-N 2.81Å; F394-R396 VanDerWaalsContact C-N 3.34Å; F394-R396 PolarHBondContact O-N 2.89Å; R396-K399 WeakPolarHBondContact O-CG 3.48Å; R396-E423 IonicContact CZ-OE2 3.75Å; R396-E423 IonicContact NH2-OE1 3.19Å; R396-E423 IonicContact NH2-OE2 2.9Å; R396-E423 PolarHBondContact NH2-OE2 3.49Å; R396-Y424 VanDerWaalsContact CA-OH 3.3Å; R396-Y424 WeakPolarHBondContact CA-OH 3.25Å; R396-Y424 PolarHBondContact N-OH 3.34Å
397Q93.5Very high96Very high104 Ų10428.5 Ų28.549%0.48614%0.135SC..Hα-helixtrans-77.5-39.6179.6-69.5-169.452.100112.1M182 N393 F394 I395M182-Q397 HydrophobicContact CE-CB 3.17Å; M182-Q397 HydrophobicContact CE-CG 4.3Å; M182-Q397 HydrophobicContact SD-CB 4.09Å; N393-Q397 WeakPolarHBondContact O-CG 3.41Å; N393-Q397 PolarHBondContact O-N 3.44Å; N393-Q397 PolarHBondContact OD1-NE2 2.81Å; F394-Q397 PolarHBondContact O-N 3.21Å; I395-Q397 VanDerWaalsContact C-N 3.32Å; I395-Q397 PolarHBondContact O-N 3.48Å
398L94.9Very high96Very high5 Ų528 Ų283%0.02613%0.133CC..Hα-helixtrans-73.2-30.3177.7-74.2179.2000113.4L164 M182 P183 R186 P187 L190 F394 I395L164-L398 HydrophobicContact CD2-CD1 3.64Å; M182-L398 HydrophobicContact CE-CB 4.36Å; M182-L398 HydrophobicContact CE-CD2 3.56Å; M182-L398 HydrophobicContact CE-CG 3.51Å; P183-L398 HydrophobicContact CB-CD2 4.08Å; P183-L398 HydrophobicContact CG-CD2 4.35Å; R186-L398 WeakPolarHBondContact CG-O 3.06Å; P187-L398 HydrophobicContact CG-CD1 4.36Å; L190-L398 HydrophobicContact CD1-CD1 4.05Å; L190-L398 HydrophobicContact CD2-CD1 4.03Å; F394-L398 HydrophobicContact CD1-CD1 3.84Å; F394-L398 HydrophobicContact CE1-CD1 3.42Å; F394-L398 VanDerWaalsContact CE1-CD1 3.42Å; F394-L398 HydrophobicContact CE2-CD1 4.2Å; F394-L398 HydrophobicContact CG-CD1 4.4Å; F394-L398 HydrophobicContact CZ-CD1 3.63Å; F394-L398 HydrophobicContact CZ-CG 4.49Å; F394-L398 WeakPolarHBondContact O-CB 3.45Å; F394-L398 PolarHBondContact O-N 2.91Å; I395-L398 PolarHBondContact O-N 3.26Å
399K92.2Very high95.9Very high98 Ų9828.6 Ų28.643%0.42614%0.137SC..  trans5045.8-176-56.1178.9-178.5173.90113.6R186 I395 R396R186-K399 PolarHBondContact NE-O 2.87Å; R186-K399 PolarHBondContact NH2-O 3.31Å; I395-K399 WeakPolarHBondContact O-CA 3.35Å; I395-K399 PolarHBondContact O-N 3.41Å; R396-K399 WeakPolarHBondContact O-CG 3.48Å
400P94.5Very high95.9Very high3 Ų326.7 Ų26.72%0.01913%0.133CC..  trans-64.1142.1-18031.9-36000110.1P187 L190 I395 N402 I432P187-P400 HydrophobicContact CG-CB 4.33Å; L190-P400 HydrophobicContact CB-CB 3.85Å; L190-P400 HydrophobicContact CB-CG 3.83Å; L190-P400 HydrophobicContact CD2-CG 3.96Å; I395-P400 HydrophobicContact CG2-CG 4.17Å; I395-P400 WeakPolarHBondContact O-CD 3.34Å; P400-N402 PolarHBondContact O-N 2.99Å; P400-I432 HydrophobicContact CG-CD1 4.2Å; P400-I432 WeakPolarHBondContact O-CG1 3.44Å
401P92.8Very high95.8Very high37 Ų3728.8 Ų28.824%0.2415%0.149CC..SBendtrans-73.4-19.5172.928.2-29.2000112.2P187 D188 Q433P187-P401 WeakPolarHBondContact O-CD 3.48Å; D188-P401 WeakPolarHBondContact O-CD 3.26Å; D188-P401 VanDerWaalsContact O-CG 3.29Å; D188-P401 WeakPolarHBondContact O-CG 3.39Å; P401-Q433 PolarHBondContact O-N 2.95Å
402N96.1Very high95.6Very high16 Ų1629.5 Ų29.59%0.08615%0.152CC..EExtended strand (participates in β ladder)trans-133.5131.1178-51.9-82.1000110.5D188 A189 L190 P400 Q433 L445D188-N402 PolarHBondContact O-ND2 2.81Å; A189-N402 WeakPolarHBondContact CA-O 3.24Å; A189-N402 HydrophobicContact CB-CB 4.24Å; L190-N402 PolarHBondContact N-O 2.83Å; P400-N402 PolarHBondContact O-N 2.99Å; N402-Q433 CarbonylContact C-O 3.49Å; N402-Q433 VanDerWaalsContact CA-O 3.3Å; N402-Q433 WeakPolarHBondContact CA-O 3.31Å; N402-L445 HydrophobicContact CB-CD1 3.59Å; N402-L445 HydrophobicContact CB-CD2 4.3Å
403A97.5Very high95.6Very high0 Ų029.3 Ų29.30%015%0.151CC..EExtended strand (participates in β ladder)trans-125.5127.7172.900000111.1L190 L192 F405 I432 Q433 T434 F435L190-A403 CarbonylContact O-C 3.52Å; L190-A403 VanDerWaalsContact O-CA 3.3Å; L190-A403 WeakPolarHBondContact O-CA 2.91Å; L192-A403 HydrophobicContact CD2-CB 4.23Å; A403-F405 HydrophobicContact CB-CZ 4.5Å; A403-I432 HydrophobicContact CB-CD1 3.84Å; A403-I432 HydrophobicContact CB-CG1 4.35Å; A403-Q433 PolarHBondContact N-O 2.96Å; A403-T434 HydrophobicContact CB-CG2 4.42Å; A403-T434 CarbonylContact O-C 3.5Å; A403-T434 VanDerWaalsContact O-CA 3.29Å; A403-T434 WeakPolarHBondContact O-CA 3.32Å; A403-F435 PolarHBondContact O-N 2.92Å
404I98.4Very high95.7Very high2 Ų229.8 Ų29.81%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-114.5112.8177.9-55.393000107.8Y3 A189 L190 I191 L192 V406 F435 P437 L445Y3-I404 HydrophobicContact CE1-CD1 4.37Å; A189-I404 HydrophobicContact CB-CD1 4.17Å; L190-I404 PolarHBondContact O-N 2.84Å; I191-I404 WeakPolarHBondContact CA-O 3.01Å; I191-I404 HydrophobicContact CG1-CB 4.39Å; I191-I404 HydrophobicContact CG1-CD1 4.15Å; L192-I404 WeakPolarHBondContact CD2-O 3.29Å; L192-I404 PolarHBondContact N-O 3.31Å; I404-V406 HydrophobicContact CG2-CG1 4.26Å; I404-F435 HydrophobicContact CG1-CB 4.25Å; I404-F435 HydrophobicContact CG1-CD2 4.12Å; I404-F435 HydrophobicContact CG2-CB 4.41Å; I404-P437 HydrophobicContact CG2-CG 3.9Å; I404-L445 HydrophobicContact CD1-CD1 4.31Å
405F98.4Very high95.7Very high0 Ų036.5 Ų36.50%018%0.179CC..EExtended strand (participates in β ladder)trans-81.5132.7174.6-63.2-63000109.5L192 S194 I395 A403 M413 L416 R417 I420 T434 F435L192-F405 HydrophobicContact CD1-CD1 4.37Å; L192-F405 HydrophobicContact CD1-CE1 3.99Å; L192-F405 HydrophobicContact CD2-CD1 3.66Å; L192-F405 HydrophobicContact CD2-CE1 3.7Å; L192-F405 HydrophobicContact CG-CD1 3.88Å; L192-F405 HydrophobicContact CG-CE1 3.97Å; L192-F405 WeakPolarHBondContact O-CA 3.33Å; S194-F405 VanDerWaalsContact OG-CB 3.28Å; S194-F405 WeakPolarHBondContact OG-CB 3.49Å; S194-F405 VanDerWaalsContact OG-CD1 3.28Å; S194-F405 WeakPolarHBondContact OG-CD1 3.46Å; I395-F405 HydrophobicContact CD1-CE1 4.04Å; I395-F405 HydrophobicContact CD1-CZ 4.05Å; A403-F405 HydrophobicContact CB-CZ 4.5Å; F405-M413 VanDerWaalsContact C-CE 3.48Å; F405-M413 HydrophobicContact CB-CE 4.06Å; F405-M413 WeakPolarHBondContact O-CE 3.47Å; F405-L416 HydrophobicContact CD1-CD2 3.61Å; F405-L416 HydrophobicContact CD1-CG 4.16Å; F405-L416 HydrophobicContact CE1-CD2 3.66Å; F405-L416 HydrophobicContact CE1-CG 3.87Å; F405-L416 HydrophobicContact CG-CD2 4.36Å; F405-L416 HydrophobicContact CZ-CD2 4.46Å; F405-L416 HydrophobicContact CZ-CG 4.19Å; F405-R417 HydrophobicContact CD2-CB 3.93Å; F405-R417 HydrophobicContact CD2-CG 4.14Å; F405-R417 HydrophobicContact CE2-CB 3.99Å; F405-R417 HydrophobicContact CE2-CG 4.08Å; F405-I420 HydrophobicContact CZ-CB 4.24Å; F405-I420 HydrophobicContact CZ-CG1 3.92Å; F405-I420 HydrophobicContact CZ-CG2 4.41Å; F405-T434 HydrophobicContact CE2-CG2 4.17Å; F405-F435 WeakPolarHBondContact CD2-O 3.32Å; F405-F435 PolarHBondContact N-O 3.35Å
406V98.2Very high95.7Very high5 Ų536.5 Ų36.53%0.0318%0.179CC..EExtended strand (participates in β ladder)trans-140.5176.6175.5-65.40000108.8V5 I17 Y165 I191 L192 E193 S194 I404V5-V406 HydrophobicContact CG2-CG1 4.32Å; I17-V406 HydrophobicContact CD1-CB 4.27Å; I17-V406 HydrophobicContact CD1-CG1 3.94Å; I17-V406 HydrophobicContact CD1-CG2 3.95Å; Y165-V406 HydrophobicContact CE2-CG2 4.49Å; I191-V406 HydrophobicContact CG2-CG1 4.19Å; I191-V406 HydrophobicContact CG2-CG2 3.86Å; L192-V406 WeakPolarHBondContact O-CG2 3.06Å; L192-V406 PolarHBondContact O-N 2.93Å; E193-V406 CarbonylContact C-O 3.58Å; E193-V406 VanDerWaalsContact C-O 3.26Å; E193-V406 WeakPolarHBondContact CA-O 3.33Å; S194-V406 WeakPolarHBondContact CB-O 3.33Å; S194-V406 PolarHBondContact N-O 2.68Å; S194-V406 PolarHBondContact OG-O 2.81Å; I404-V406 HydrophobicContact CG2-CG1 4.26Å
407H97.1Very high95.9Very high3 Ų334.9 Ų34.91%0.01417%0.173CC..SBendtrans53.167.5174.2-159.4-107.5000112.5G8 E11 S15 D64 H65 D168 E193 S194 T195 H385G8-H407 PolarHBondContact O-N 3.41Å; E11-H407 WeakPolarHBondContact O-CA 3.49Å; S15-H407 PolarHBondContact OG-CD2 2.92Å; D64-H407 IonicContact OD2-CE1 3.91Å; D64-H407 IonicContact OD2-NE2 2.86Å; D64-H407 PolarHBondContact OD2-NE2 3.49Å; H65-H407 AromaticContact NE2-CD2 3.93Å; H65-H407 AromaticContact NE2-CE1 3.93Å; H65-H407 AromaticContact NE2-NE2 3.66Å; D168-H407 IonicContact OD1-CE1 3.51Å; D168-H407 PolarHBondContact OD1-CE1 2.67Å; D168-H407 IonicContact OD1-CG 3.92Å; D168-H407 IonicContact OD1-ND1 3.76Å; D168-H407 PolarHBondContact OD1-ND1 2.77Å; D168-H407 VanDerWaalsContact OD1-ND1 3.12Å; D168-H407 IonicContact OD2-CE1 3.64Å; E193-H407 HydrophobicContact CB-CB 4.02Å; S194-H407 CarbonylContact C-O 3.52Å; S194-H407 VanDerWaalsContact C-O 3.22Å; S194-H407 PolarHBondContact N-O 3.04Å; T195-H407 WeakPolarHBondContact CA-O 3.34Å; T195-H407 PolarHBondContact N-O 3.04Å; T195-H407 PolarHBondContact OG1-ND1 3.43Å; T195-H407 VanDerWaalsContact OG1-ND1 3.11Å; T195-H407 PolarHBondContact OG1-O 2.86Å; H385-H407 AromaticContact CE1-CE1 3.88Å
408G96.3Very high96Very high0 Ų034.7 Ų34.70%017%0.174CC..SBendtrans-177.3149.2-177.700000110.5Q10 E11Q10-G408 CarbonylContact C-O 3.54Å; Q10-G408 VanDerWaalsContact CA-O 3.23Å; Q10-G408 WeakPolarHBondContact CA-O 3.44Å; E11-G408 PolarHBondContact N-O 3.17Å; E11-G408 PolarHBondContact O-N 3.31Å
409E94.7Very high96.1Very high52 Ų5235.5 Ų35.524%0.24318%0.182CC..  trans-64.2150176.3-69.1176.6-172.200111Y346 K354 S411 E412 M413Y346-E409 VanDerWaalsContact OH-CD 3.28Å; Y346-E409 WeakPolarHBondContact OH-CG 3.31Å; Y346-E409 PolarHBondContact OH-OE1 3.32Å; K354-E409 IonicContact NZ-OE1 2.8Å; E409-S411 VanDerWaalsContact C-N 3.25Å; E409-S411 PolarHBondContact O-N 2.81Å; E409-S411 VanDerWaalsContact O-N 3.11Å; E409-E412 PolarHBondContact O-N 3.3Å; E409-M413 PolarHBondContact O-N 2.67Å
410A95.8Very high96.2Very high43 Ų4330.9 Ų30.936%0.35516%0.162SC..Hα-helixtrans-48.7-43.6-17500000114.1Q10 L414Q10-A410 HydrophobicContact CB-CB 3.9Å; Q10-A410 HydrophobicContact CG-CB 4.24Å; Q10-A410 PolarHBondContact O-N 3.24Å; A410-L414 VanDerWaalsContact O-CB 3.29Å; A410-L414 WeakPolarHBondContact O-CB 3.27Å; A410-L414 PolarHBondContact O-N 2.99Å
411S95Very high96.1Very high59 Ų5933 Ų3341%0.41317%0.173SC..Hα-helixtrans-68-45.1179.446.60000112.4E409 L414 R415E409-S411 VanDerWaalsContact C-N 3.25Å; E409-S411 PolarHBondContact O-N 2.81Å; E409-S411 VanDerWaalsContact O-N 3.11Å; S411-L414 PolarHBondContact O-N 2.9Å; S411-R415 WeakPolarHBondContact O-CB 3.45Å; S411-R415 VanDerWaalsContact O-CG 3.28Å; S411-R415 WeakPolarHBondContact O-CG 3.37Å; S411-R415 PolarHBondContact O-N 2.95Å
412E93.8Very high96Very high16 Ų1640.3 Ų40.38%0.07520%0.196CC..Hα-helixtrans-68.8-42.6-178.3-64.2-57.4104.600111.2Q199 E409 L414 R415 L416Q199-E412 PolarHBondContact NE2-OE2 3.07Å; E409-E412 PolarHBondContact O-N 3.3Å; E412-L414 PolarHBondContact O-N 2.87Å; E412-R415 PolarHBondContact O-N 3.24Å; E412-R415 IonicContact OE1-CZ 3.86Å; E412-R415 IonicContact OE1-NH1 2.82Å; E412-R415 PolarHBondContact OE1-NH1 2.87Å; E412-L416 WeakPolarHBondContact O-CB 3.37Å; E412-L416 PolarHBondContact O-N 3.03Å
413M96.4Very high95.6Very high0 Ų042.9 Ų42.90%021%0.207CC..Hα-helixtrans-60.2-43.7172.2-78.2-177.95500112.1Q10 F405 E409 R417Q10-M413 HydrophobicContact CG-CE 4.16Å; Q10-M413 HydrophobicContact CG-SD 4.24Å; F405-M413 VanDerWaalsContact C-CE 3.48Å; F405-M413 HydrophobicContact CB-CE 4.06Å; F405-M413 WeakPolarHBondContact O-CE 3.47Å; E409-M413 PolarHBondContact O-N 2.67Å; M413-R417 WeakPolarHBondContact O-CB 3.38Å; M413-R417 PolarHBondContact O-N 2.7Å
414L97Very high95Very high73 Ų7344.6 Ų44.638%0.38221%0.214SC..Hα-helixtrans-65.5-44.4178.7179.860.6000111.5A410 S411 E412 R417 L418A410-L414 VanDerWaalsContact O-CB 3.29Å; A410-L414 WeakPolarHBondContact O-CB 3.27Å; A410-L414 PolarHBondContact O-N 2.99Å; S411-L414 PolarHBondContact O-N 2.9Å; E412-L414 PolarHBondContact O-N 2.87Å; L414-R417 PolarHBondContact O-N 2.84Å; L414-L418 HydrophobicContact CD1-CD1 4.29Å; L414-L418 HydrophobicContact CD1-CG 4.27Å; L414-L418 HydrophobicContact CG-CD1 4.2Å; L414-L418 WeakPolarHBondContact O-CG 3.38Å; L414-L418 PolarHBondContact O-N 3.38Å
415R97.5Very high93.9Very high142 Ų14251.6 Ų51.654%0.53625%0.246SC..Hα-helixtrans-60.3-46.6177.1-75.7170.9176.8172.5-4.7111.4T198 S411 E412 L418 A419T198-R415 HydrophobicContact CG2-CB 3.93Å; S411-R415 WeakPolarHBondContact O-CB 3.45Å; S411-R415 VanDerWaalsContact O-CG 3.28Å; S411-R415 WeakPolarHBondContact O-CG 3.37Å; S411-R415 PolarHBondContact O-N 2.95Å; E412-R415 PolarHBondContact O-N 3.24Å; E412-R415 IonicContact OE1-CZ 3.86Å; E412-R415 IonicContact OE1-NH1 2.82Å; E412-R415 PolarHBondContact OE1-NH1 2.87Å; R415-L418 PolarHBondContact O-N 2.85Å; R415-A419 WeakPolarHBondContact O-CB 3.5Å; R415-A419 PolarHBondContact O-N 3.49Å
416L97.6Very high92.3Very high0 Ų053.6 Ų53.60%027%0.267CS..Hα-helixtrans-59.9-48.1176.2175.860.7000111S194 Y388 T391 F405 E412 L418 A419 I420S194-L416 WeakPolarHBondContact OG-CD2 3.24Å; Y388-L416 HydrophobicContact CD2-CD1 3.78Å; Y388-L416 HydrophobicContact CE2-CD1 4.13Å; T391-L416 HydrophobicContact CG2-CD1 4.21Å; T391-L416 HydrophobicContact CG2-CD2 4.19Å; F405-L416 HydrophobicContact CD1-CD2 3.61Å; F405-L416 HydrophobicContact CD1-CG 4.16Å; F405-L416 HydrophobicContact CE1-CD2 3.66Å; F405-L416 HydrophobicContact CE1-CG 3.87Å; F405-L416 HydrophobicContact CG-CD2 4.36Å; F405-L416 HydrophobicContact CZ-CD2 4.46Å; F405-L416 HydrophobicContact CZ-CG 4.19Å; E412-L416 WeakPolarHBondContact O-CB 3.37Å; E412-L416 PolarHBondContact O-N 3.03Å; L416-L418 VanDerWaalsContact C-N 3.32Å; L416-L418 PolarHBondContact O-N 2.85Å; L416-A419 PolarHBondContact O-N 2.61Å; L416-I420 HydrophobicContact CD1-CD1 4.29Å; L416-I420 HydrophobicContact CD1-CG1 3.89Å; L416-I420 HydrophobicContact CG-CG1 4.41Å; L416-I420 WeakPolarHBondContact O-CG1 3.24Å; L416-I420 PolarHBondContact O-N 3.21Å
417R96.8Very high90.4Very high75 Ų7560.3 Ų60.328%0.28331%0.311SS..Hα-helixtrans-56.3-46.3178.4-172.6177.267.4154.3-4112.2F405 M413 L414 N421 T434 S436F405-R417 HydrophobicContact CD2-CB 3.93Å; F405-R417 HydrophobicContact CD2-CG 4.14Å; F405-R417 HydrophobicContact CE2-CB 3.99Å; F405-R417 HydrophobicContact CE2-CG 4.08Å; M413-R417 WeakPolarHBondContact O-CB 3.38Å; M413-R417 PolarHBondContact O-N 2.7Å; L414-R417 PolarHBondContact O-N 2.84Å; R417-N421 WeakPolarHBondContact O-CB 3.36Å; R417-N421 VanDerWaalsContact O-CG 3.26Å; R417-N421 PolarHBondContact O-N 2.85Å; R417-N421 PolarHBondContact O-ND2 2.77Å; R417-T434 WeakPolarHBondContact CG-OG1 3.35Å; R417-S436 PolarHBondContact NE-OG 2.79Å
418L96Very high88.6Confident100 Ų10063.5 Ų63.552%0.52433%0.334SS..Hα-helixtrans-66.2-40.9178.3-68.5174.5000112.2L414 R415 L416 N421 R422L414-L418 HydrophobicContact CD1-CD1 4.29Å; L414-L418 HydrophobicContact CD1-CG 4.27Å; L414-L418 HydrophobicContact CG-CD1 4.2Å; L414-L418 WeakPolarHBondContact O-CG 3.38Å; L414-L418 PolarHBondContact O-N 3.38Å; R415-L418 PolarHBondContact O-N 2.85Å; L416-L418 VanDerWaalsContact C-N 3.32Å; L416-L418 PolarHBondContact O-N 2.85Å; L418-N421 PolarHBondContact O-N 2.89Å; L418-R422 WeakPolarHBondContact O-CB 3.24Å; L418-R422 PolarHBondContact O-N 3.1Å
419A95.8Very high86.6Confident22 Ų2267 Ų6718%0.18237%0.37CS..Hα-helixtrans-63.2-44.5177.400000111.7T198 Y388 R415 L416 R422 E423T198-A419 HydrophobicContact CG2-CB 3.84Å; Y388-A419 HydrophobicContact CE2-CB 3.61Å; R415-A419 WeakPolarHBondContact O-CB 3.5Å; R415-A419 PolarHBondContact O-N 3.49Å; L416-A419 PolarHBondContact O-N 2.61Å; A419-R422 PolarHBondContact O-N 2.94Å; A419-E423 PolarHBondContact O-N 3Å; A419-E423 VanDerWaalsContact O-N 3.15Å
420I94.8Very high85.4Confident0 Ų067.5 Ų67.50%037%0.374CS..Hα-helixtrans-64.2-46.1174.9-63.3-56.3000110.8Y388 I395 F405 L416 R422 E423 Y424 I432 T434Y388-I420 HydrophobicContact CE2-CD1 4.19Å; I395-I420 HydrophobicContact CD1-CD1 3.93Å; I395-I420 HydrophobicContact CD1-CG1 3.97Å; I395-I420 HydrophobicContact CD1-CG2 4.13Å; F405-I420 HydrophobicContact CZ-CB 4.24Å; F405-I420 HydrophobicContact CZ-CG1 3.92Å; F405-I420 HydrophobicContact CZ-CG2 4.41Å; L416-I420 HydrophobicContact CD1-CD1 4.29Å; L416-I420 HydrophobicContact CD1-CG1 3.89Å; L416-I420 HydrophobicContact CG-CG1 4.41Å; L416-I420 WeakPolarHBondContact O-CG1 3.24Å; L416-I420 PolarHBondContact O-N 3.21Å; I420-R422 VanDerWaalsContact C-N 3.26Å; I420-R422 PolarHBondContact O-N 2.76Å; I420-E423 PolarHBondContact O-N 3.34Å; I420-E423 VanDerWaalsContact O-N 3.09Å; I420-Y424 HydrophobicContact CG2-CD2 4.17Å; I420-Y424 HydrophobicContact CG2-CE2 4.16Å; I420-Y424 VanDerWaalsContact O-CD2 3.3Å; I420-Y424 WeakPolarHBondContact O-CD2 3.31Å; I420-Y424 PolarHBondContact O-N 2.94Å; I420-I432 HydrophobicContact CG2-CD1 4.44Å; I420-T434 HydrophobicContact CG2-CG2 4.18Å
421N92.8Very high84.6Confident48 Ų4873.6 Ų73.626%0.25740%0.395SS..Hα-helixtrans-55.1-44.4176.7-74.9-15.1000112R417 L418 E423 Y424 E425 T434R417-N421 WeakPolarHBondContact O-CB 3.36Å; R417-N421 VanDerWaalsContact O-CG 3.26Å; R417-N421 PolarHBondContact O-N 2.85Å; R417-N421 PolarHBondContact O-ND2 2.77Å; L418-N421 PolarHBondContact O-N 2.89Å; N421-E423 VanDerWaalsContact C-N 3.32Å; N421-E423 PolarHBondContact O-N 2.68Å; N421-Y424 CarbonylContact O-C 3.56Å; N421-Y424 PolarHBondContact O-N 2.69Å; N421-E425 WeakPolarHBondContact O-CG 3.39Å; N421-E425 PolarHBondContact O-N 2.72Å; N421-T434 VanDerWaalsContact CG-OG1 3.25Å; N421-T434 PolarHBondContact ND2-OG1 3.01Å; N421-T434 VanDerWaalsContact ND2-OG1 3.13Å; N421-T434 WeakPolarHBondContact OD1-CB 3.27Å; N421-T434 WeakPolarHBondContact OD1-CG2 3.35Å; N421-T434 PolarHBondContact OD1-OG1 3.24Å
422R90.6Very high84.4Confident190 Ų19071.7 Ų71.772%0.71738%0.38SS*.Hα-helixtrans-62.7-34.5178.5-171.5179.2179.2-172.4-0.2113.5L418 A419 I420 Y424 E425L418-R422 WeakPolarHBondContact O-CB 3.24Å; L418-R422 PolarHBondContact O-N 3.1Å; A419-R422 PolarHBondContact O-N 2.94Å; I420-R422 VanDerWaalsContact C-N 3.26Å; I420-R422 PolarHBondContact O-N 2.76Å; R422-Y424 PolarHBondContact O-N 3.14Å; R422-E425 PolarHBondContact O-N 2.81Å
423E87Confident84.4Confident70 Ų7076.3 Ų76.333%0.32740%0.402SS..Hα-helixtrans-65.3-25.1174.8-74.3-170-14700113.2Y388 S392 R396 A419 I420 N421Y388-E423 PolarHBondContact OH-OE1 2.74Å; S392-E423 WeakPolarHBondContact CB-OE1 3.33Å; S392-E423 PolarHBondContact OG-OE1 3.26Å; S392-E423 PolarHBondContact OG-OE2 2.74Å; R396-E423 IonicContact CZ-OE2 3.75Å; R396-E423 IonicContact NH2-OE1 3.19Å; R396-E423 IonicContact NH2-OE2 2.9Å; R396-E423 PolarHBondContact NH2-OE2 3.49Å; A419-E423 PolarHBondContact O-N 3Å; A419-E423 VanDerWaalsContact O-N 3.15Å; I420-E423 PolarHBondContact O-N 3.34Å; I420-E423 VanDerWaalsContact O-N 3.09Å; N421-E423 VanDerWaalsContact C-N 3.32Å; N421-E423 PolarHBondContact O-N 2.68Å
424Y83.9Confident84.5Confident36 Ų3677 Ų7714%0.14141%0.406CS..THydrogen-bonded Turntrans-1052.9-179.6-70.9-95.8000112.7I395 R396 I420 N421 R422 G426 N430 I432I395-Y424 HydrophobicContact CG2-CE2 4.23Å; I395-Y424 PolarHBondContact O-OH 2.65Å; R396-Y424 VanDerWaalsContact CA-OH 3.3Å; R396-Y424 WeakPolarHBondContact CA-OH 3.25Å; R396-Y424 PolarHBondContact N-OH 3.34Å; I420-Y424 HydrophobicContact CG2-CD2 4.17Å; I420-Y424 HydrophobicContact CG2-CE2 4.16Å; I420-Y424 VanDerWaalsContact O-CD2 3.3Å; I420-Y424 WeakPolarHBondContact O-CD2 3.31Å; I420-Y424 PolarHBondContact O-N 2.94Å; N421-Y424 CarbonylContact O-C 3.56Å; N421-Y424 PolarHBondContact O-N 2.69Å; R422-Y424 PolarHBondContact O-N 3.14Å; Y424-G426 PolarHBondContact O-N 3.28Å; Y424-N430 HydrophobicContact CD1-CB 4.33Å; Y424-N430 WeakPolarHBondContact CD1-O 3.39Å; Y424-N430 HydrophobicContact CE1-CB 4.25Å; Y424-I432 HydrophobicContact CD1-CB 4.47Å; Y424-I432 HydrophobicContact CD1-CG2 3.92Å; Y424-I432 HydrophobicContact CD2-CG2 3.72Å; Y424-I432 HydrophobicContact CE1-CG2 4.43Å; Y424-I432 HydrophobicContact CE2-CG2 4.3Å; Y424-I432 HydrophobicContact CG-CB 4.49Å; Y424-I432 HydrophobicContact CG-CG2 3.49Å; Y424-I432 VanDerWaalsContact CG-CG2 3.49Å
425E75.7Confident84.5Confident149 Ų14976 Ų7670%0.69640%0.399SS*.  trans-71.289.9165.3-77.4172.4-173.900109N421 R422N421-E425 WeakPolarHBondContact O-CG 3.39Å; N421-E425 PolarHBondContact O-N 2.72Å; R422-E425 PolarHBondContact O-N 2.81Å
426G65.1Low84.5Confident42 Ų4269.8 Ų69.843%0.43338%0.377SS..SBendtrans178.8165.9175.100000113.4Y424 S428Y424-G426 PolarHBondContact O-N 3.28Å; G426-S428 PolarHBondContact O-N 3.32Å
427P59Low84.5Confident146 Ų14669.8 Ų69.895%0.94838%0.377SS*.SBendtrans-66.2-2.7178.926-32.8000113.9G429P427-G429 PolarHBondContact O-N 2.92Å
428S58Low84.5Confident71 Ų7173.9 Ų73.950%0.49739%0.392SS..SBendtrans-64.898.6167.249.20000109G426 N430G426-S428 PolarHBondContact O-N 3.32Å; S428-N430 PolarHBondContact O-N 3.08Å
429G55.7Low84.5Confident74 Ų7470.2 Ų70.276%0.76337%0.373SS*.SBendtrans-62.836.2-171.600000118.3P427P427-G429 PolarHBondContact O-N 2.92Å
430N68.3Low84.4Confident61 Ų6172.6 Ų72.633%0.32639%0.386SS..  trans-101.970.5167-63.4-39.6000108.8Y424 S428 I432Y424-N430 HydrophobicContact CD1-CB 4.33Å; Y424-N430 WeakPolarHBondContact CD1-O 3.39Å; Y424-N430 HydrophobicContact CE1-CB 4.25Å; S428-N430 PolarHBondContact O-N 3.08Å; N430-I432 PolarHBondContact O-N 3.27Å
431E79.7Confident84.4Confident171 Ų17177 Ų7780%0.79941%0.406SS*.  trans-59.5131.3171.1-70.9-178.8-178.500109.7
432I91.4Very high84.5Confident19 Ų1979.3 Ų79.310%0.09742%0.416CS..  trans-119.3127.5174.5-173.3170.7000108.8I395 P400 A403 I420 Y424 N430 T434I395-I432 HydrophobicContact CG2-CD1 3.52Å; P400-I432 HydrophobicContact CG-CD1 4.2Å; P400-I432 WeakPolarHBondContact O-CG1 3.44Å; A403-I432 HydrophobicContact CB-CD1 3.84Å; A403-I432 HydrophobicContact CB-CG1 4.35Å; I420-I432 HydrophobicContact CG2-CD1 4.44Å; Y424-I432 HydrophobicContact CD1-CB 4.47Å; Y424-I432 HydrophobicContact CD1-CG2 3.92Å; Y424-I432 HydrophobicContact CD2-CG2 3.72Å; Y424-I432 HydrophobicContact CE1-CG2 4.43Å; Y424-I432 HydrophobicContact CE2-CG2 4.3Å; Y424-I432 HydrophobicContact CG-CB 4.49Å; Y424-I432 HydrophobicContact CG-CG2 3.49Å; Y424-I432 VanDerWaalsContact CG-CG2 3.49Å; N430-I432 PolarHBondContact O-N 3.27Å; I432-T434 HydrophobicContact CD1-CG2 4.3Å; I432-T434 HydrophobicContact CG1-CG2 4.06Å; I432-T434 HydrophobicContact CG2-CG2 4.27Å
433Q94.4Very high84.8Confident114 Ų11470.6 Ų70.653%0.53338%0.383SS..EExtended strand (participates in β ladder)trans-91.7124.9170.4-62.9-174.41500109P401 N402 A403 F435P401-Q433 PolarHBondContact O-N 2.95Å; N402-Q433 CarbonylContact C-O 3.49Å; N402-Q433 VanDerWaalsContact CA-O 3.3Å; N402-Q433 WeakPolarHBondContact CA-O 3.31Å; A403-Q433 PolarHBondContact N-O 2.96Å; Q433-F435 HydrophobicContact CB-CE2 3.8Å; Q433-F435 HydrophobicContact CB-CZ 4.01Å
434T96.9Very high85.3Confident15 Ų1572.9 Ų72.99%0.09239%0.392CS..EExtended strand (participates in β ladder)trans-117140.3-175.864.90000112.7A403 F405 R417 I420 N421 I432A403-T434 HydrophobicContact CB-CG2 4.42Å; A403-T434 CarbonylContact O-C 3.5Å; A403-T434 VanDerWaalsContact O-CA 3.29Å; A403-T434 WeakPolarHBondContact O-CA 3.32Å; F405-T434 HydrophobicContact CE2-CG2 4.17Å; R417-T434 WeakPolarHBondContact CG-OG1 3.35Å; I420-T434 HydrophobicContact CG2-CG2 4.18Å; N421-T434 VanDerWaalsContact CG-OG1 3.25Å; N421-T434 PolarHBondContact ND2-OG1 3.01Å; N421-T434 VanDerWaalsContact ND2-OG1 3.13Å; N421-T434 WeakPolarHBondContact OD1-CB 3.27Å; N421-T434 WeakPolarHBondContact OD1-CG2 3.35Å; N421-T434 PolarHBondContact OD1-OG1 3.24Å; I432-T434 HydrophobicContact CD1-CG2 4.3Å; I432-T434 HydrophobicContact CG1-CG2 4.06Å; I432-T434 HydrophobicContact CG2-CG2 4.27Å
435F97.7Very high85.8Confident52 Ų5271.4 Ų71.423%0.22839%0.387CS..EExtended strand (participates in β ladder)trans-132.5144.4-176.2-53-90.3000110.1A403 I404 F405 Q433 V443 L445A403-F435 PolarHBondContact O-N 2.92Å; I404-F435 HydrophobicContact CG1-CB 4.25Å; I404-F435 HydrophobicContact CG1-CD2 4.12Å; I404-F435 HydrophobicContact CG2-CB 4.41Å; F405-F435 WeakPolarHBondContact CD2-O 3.32Å; F405-F435 PolarHBondContact N-O 3.35Å; Q433-F435 HydrophobicContact CB-CE2 3.8Å; Q433-F435 HydrophobicContact CB-CZ 4.01Å; F435-V443 HydrophobicContact CB-CG1 4.33Å; F435-V443 HydrophobicContact CB-CG2 3.94Å; F435-V443 HydrophobicContact CD1-CG1 3.63Å; F435-V443 HydrophobicContact CD1-CG2 4.13Å; F435-V443 HydrophobicContact CD2-CG1 3.93Å; F435-V443 HydrophobicContact CE1-CG1 3.85Å; F435-V443 HydrophobicContact CE2-CG1 4.14Å; F435-V443 HydrophobicContact CG-CG1 3.68Å; F435-V443 HydrophobicContact CG-CG2 4.13Å; F435-V443 HydrophobicContact CZ-CG1 4.1Å; F435-L445 HydrophobicContact CE2-CD2 3.69Å; F435-L445 HydrophobicContact CZ-CD2 3.77Å
436S96.9Very high86.5Confident10 Ų1074 Ų747%0.0739%0.392CS..  trans-13763.1176590000109.2Q10 R417Q10-S436 PolarHBondContact NE2-O 2.8Å; R417-S436 PolarHBondContact NE-OG 2.79Å
437P97.7Very high87.5Confident0 Ų074.4 Ų74.40%038%0.382CS..PPolyproline II helixtrans-65.4147.7-169.527.5-36.5000112.6V5 G9 I404 E441 V443V5-P437 HydrophobicContact CG2-CB 4.16Å; V5-P437 HydrophobicContact CG2-CG 3.61Å; G9-P437 CarbonylContact C-O 3.59Å; G9-P437 WeakPolarHBondContact CA-O 3.4Å; I404-P437 HydrophobicContact CG2-CG 3.9Å; P437-E441 VanDerWaalsContact CA-OE2 3.31Å; P437-E441 WeakPolarHBondContact CA-OE2 3.19Å; P437-E441 HydrophobicContact CB-CB 3.93Å; P437-E441 HydrophobicContact CB-CG 4.13Å; P437-V443 HydrophobicContact CB-CG2 4.04Å; P437-V443 HydrophobicContact CG-CG2 4.04Å
438R97.1Very high88.1Confident161 Ų16179.6 Ų79.661%0.60838%0.382SS*.PPolyproline II helixtrans-73.7163166.4-70.8179.4177.7172.33.6110.7Q10 T440 E441Q10-R438 HydrophobicContact CG-CG 4.09Å; Q10-R438 VanDerWaalsContact OE1-CG 3.24Å; R438-T440 PolarHBondContact O-N 3.19Å; R438-E441 HydrophobicContact CB-CB 4.41Å; R438-E441 PolarHBondContact N-OE2 2.85Å; R438-E441 WeakPolarHBondContact O-CB 3.3Å; R438-E441 PolarHBondContact O-N 3.42Å
439N96.5Very high88.4Confident23 Ų2379.7 Ų79.712%0.12340%0.395CS..THydrogen-bonded Turntrans-48.7138160.7-75.1-30000111.1G7 G8 G9 E11 F44 E441G7-N439 WeakPolarHBondContact CA-OD1 3.44Å; G7-N439 PolarHBondContact N-OD1 3.33Å; G8-N439 PolarHBondContact N-OD1 3.33Å; G9-N439 WeakPolarHBondContact CA-OD1 3.43Å; G9-N439 PolarHBondContact N-OD1 3.33Å; G9-N439 PolarHBondContact O-N 2.94Å; G9-N439 VanDerWaalsContact O-N 3.14Å; E11-N439 PolarHBondContact OE1-ND2 3.45Å; E11-N439 PolarHBondContact OE2-ND2 2.88Å; E11-N439 VanDerWaalsContact OE2-ND2 3.12Å; F44-N439 HydrophobicContact CD2-CB 4.07Å; F44-N439 HydrophobicContact CE2-CB 3.53Å; F44-N439 HydrophobicContact CZ-CB 4.34Å; N439-E441 PolarHBondContact O-N 3.23Å
440T93.5Very high88.8Confident73 Ų7382.1 Ų82.145%0.44839%0.386SS..THydrogen-bonded Turntrans70.6-7-175.277.20000116.1V5 F44 L47 R438V5-T440 WeakPolarHBondContact O-CA 2.89Å; V5-T440 PolarHBondContact O-N 3.34Å; F44-T440 HydrophobicContact CD1-CG2 4.42Å; F44-T440 HydrophobicContact CD2-CG2 4.2Å; F44-T440 HydrophobicContact CG-CG2 4.12Å; L47-T440 HydrophobicContact CD1-CG2 3.56Å; R438-T440 PolarHBondContact O-N 3.19Å
441E95Very high88.6Confident91 Ų9186.5 Ų86.543%0.42540%0.402SS..  trans-74.6146.1176.4-168.7179.1162.700111.4V5 P437 R438 N439V5-E441 PolarHBondContact N-O 2.96Å; P437-E441 VanDerWaalsContact CA-OE2 3.31Å; P437-E441 WeakPolarHBondContact CA-OE2 3.19Å; P437-E441 HydrophobicContact CB-CB 3.93Å; P437-E441 HydrophobicContact CB-CG 4.13Å; R438-E441 HydrophobicContact CB-CB 4.41Å; R438-E441 PolarHBondContact N-OE2 2.85Å; R438-E441 WeakPolarHBondContact O-CB 3.3Å; R438-E441 PolarHBondContact O-N 3.42Å; N439-E441 PolarHBondContact O-N 3.23Å
442E94.9Very high88.1Confident98 Ų9881.5 Ų81.546%0.45838%0.383SS..EExtended strand (participates in β ladder)trans-108.5129.3176.5-66.2-172.1161.200111.5Y3 K444Y3-E442 CarbonylContact O-C 3.58Å; Y3-E442 WeakPolarHBondContact O-CA 3.41Å; E442-K444 WeakPolarHBondContact OE2-CE 3.35Å; E442-K444 IonicContact OE2-NZ 2.65Å; E442-K444 PolarHBondContact OE2-NZ 3.28Å
443V97Very high87.2Confident6 Ų680.6 Ų80.64%0.03638%0.379CS..EExtended strand (participates in β ladder)trans-100.6127.9165.9-1800000108.7C2 Y3 F435 P437 L445C2-V443 WeakPolarHBondContact CA-O 3.01Å; Y3-V443 HydrophobicContact CD2-CB 4.48Å; Y3-V443 WeakPolarHBondContact CD2-O 3.49Å; Y3-V443 PolarHBondContact N-O 2.84Å; Y3-V443 PolarHBondContact O-N 2.85Å; F435-V443 HydrophobicContact CB-CG1 4.33Å; F435-V443 HydrophobicContact CB-CG2 3.94Å; F435-V443 HydrophobicContact CD1-CG1 3.63Å; F435-V443 HydrophobicContact CD1-CG2 4.13Å; F435-V443 HydrophobicContact CD2-CG1 3.93Å; F435-V443 HydrophobicContact CE1-CG1 3.85Å; F435-V443 HydrophobicContact CE2-CG1 4.14Å; F435-V443 HydrophobicContact CG-CG1 3.68Å; F435-V443 HydrophobicContact CG-CG2 4.13Å; F435-V443 HydrophobicContact CZ-CG1 4.1Å; P437-V443 HydrophobicContact CB-CG2 4.04Å; P437-V443 HydrophobicContact CG-CG2 4.04Å; V443-L445 HydrophobicContact CG1-CD2 3.93Å; V443-L445 HydrophobicContact CG1-CG 4.28Å
444K96.8Very high86.5Confident118 Ų11880 Ų8051%0.51337%0.374SS..EExtended strand (participates in β ladder)trans-112.9112.3179.8-69.5176.4-177.81650110E442 Y446E442-K444 WeakPolarHBondContact OE2-CE 3.35Å; E442-K444 IonicContact OE2-NZ 2.65Å; E442-K444 PolarHBondContact OE2-NZ 3.28Å; K444-Y446 HydrophobicContact CB-CE2 4.29Å
445L94.5Very high85.7Confident6 Ų679.8 Ų79.83%0.03137%0.372CS..  trans-104.8139.7175.4-55.8-173.7000110.9M1 Y3 A189 N402 I404 F435 V443 F447M1-L445 PolarHBondContact N-O 3.4Å; M1-L445 PolarHBondContact O-N 3.01Å; Y3-L445 HydrophobicContact CD2-CD1 4.29Å; Y3-L445 HydrophobicContact CD2-CG 4.14Å; Y3-L445 HydrophobicContact CE2-CB 3.97Å; Y3-L445 HydrophobicContact CE2-CD1 3.39Å; Y3-L445 HydrophobicContact CE2-CG 3.52Å; A189-L445 HydrophobicContact CB-CD1 3.82Å; N402-L445 HydrophobicContact CB-CD1 3.59Å; N402-L445 HydrophobicContact CB-CD2 4.3Å; I404-L445 HydrophobicContact CD1-CD1 4.31Å; F435-L445 HydrophobicContact CE2-CD2 3.69Å; F435-L445 HydrophobicContact CZ-CD2 3.77Å; V443-L445 HydrophobicContact CG1-CD2 3.93Å; V443-L445 HydrophobicContact CG1-CG 4.28Å; L445-F447 HydrophobicContact CB-CE1 4.45Å; L445-F447 HydrophobicContact CB-CE2 3.97Å; L445-F447 HydrophobicContact CB-CZ 3.76Å; L445-F447 HydrophobicContact CD1-CZ 4.02Å
446Y89.9Confident85Confident204 Ų20478.1 Ų78.180%0.837%0.367SS*.  trans-113.1122.8-178.2-61.3-90.2000109.9K444K444-Y446 HydrophobicContact CB-CE2 4.29Å
447F86.3Confident84.4Confident50 Ų5078.9 Ų78.922%0.21938%0.376CS..  trans-113.7125.8179.6-55.8-69.6000109.2M1 F21 V161 D188 L445 G449M1-F447 HydrophobicContact CB-CD2 4.17Å; M1-F447 HydrophobicContact CB-CE2 3.55Å; M1-F447 HydrophobicContact CE-CE2 4.35Å; M1-F447 HydrophobicContact CG-CE2 4.42Å; M1-F447 HydrophobicContact SD-CE2 4.04Å; F21-F447 HydrophobicContact CE2-CD2 4.29Å; F21-F447 HydrophobicContact CZ-CD2 4.24Å; V161-F447 HydrophobicContact CB-CD2 4.38Å; V161-F447 HydrophobicContact CG1-CD1 4.2Å; V161-F447 HydrophobicContact CG1-CD2 3.64Å; V161-F447 HydrophobicContact CG1-CE1 4.12Å; V161-F447 HydrophobicContact CG1-CE2 3.5Å; V161-F447 VanDerWaalsContact CG1-CE2 3.5Å; V161-F447 HydrophobicContact CG1-CG 3.99Å; V161-F447 HydrophobicContact CG1-CZ 3.77Å; V161-F447 HydrophobicContact CG2-CB 3.81Å; V161-F447 HydrophobicContact CG2-CD1 4.48Å; V161-F447 HydrophobicContact CG2-CD2 3.86Å; V161-F447 HydrophobicContact CG2-CG 3.8Å; D188-F447 HydrophobicContact CB-CD1 4.28Å; D188-F447 HydrophobicContact CB-CE1 3.7Å; D188-F447 HydrophobicContact CB-CZ 4.26Å; L445-F447 HydrophobicContact CB-CE1 4.45Å; L445-F447 HydrophobicContact CB-CE2 3.97Å; L445-F447 HydrophobicContact CB-CZ 3.76Å; L445-F447 HydrophobicContact CD1-CZ 4.02Å; F447-G449 PolarHBondContact O-N 3.27Å
448R72.5Confident83.7Confident255 Ų25585.9 Ų85.996%0.96240%0.402SS*.  trans-81.3104.9170.4-70-175.5-179.21781.4107.7
449G63.2Low82.9Confident73 Ų7379.3 Ų79.375%0.75338%0.379SS*.PPolyproline II helixtrans-91118.9173.900000110.2F447F447-G449 PolarHBondContact O-N 3.27Å
450E63.9Low82.2Confident124 Ų12480.6 Ų80.658%0.57939%0.393SS*.PPolyproline II helixtrans-73.8126157.8-70.2-177.5178.600107.9M514 L521E450-M514 WeakPolarHBondContact OE2-CE 3.48Å; E450-L521 HydrophobicContact CB-CD1 3.84Å; E450-L521 HydrophobicContact CG-CD1 4.22Å; E450-L521 WeakPolarHBondContact OE2-CD1 3.33Å
451K64Low81.7Confident153 Ų15384.8 Ų84.867%0.66541%0.407SS*.EExtended strand (participates in β ladder)trans-78.8128.9175.5-72.5-179.8-176.8168.90107.9L521 L522K451-L521 CarbonylContact O-C 3.54Å; K451-L522 HydrophobicContact CB-CB 3.91Å; K451-L522 HydrophobicContact CB-CD1 4.33Å; K451-L522 PolarHBondContact O-N 3.32Å
452T70.5Confident80.7Confident66 Ų6687.8 Ų87.841%0.40542%0.419SS..EExtended strand (participates in β ladder)trans-122.5144.1171.859.70000110.4C481 V520 L521T452-C481 WeakPolarHBondContact O-CB 3.14Å; T452-V520 CarbonylContact C-O 3.52Å; T452-V520 WeakPolarHBondContact CA-O 3.35Å; T452-L521 HydrophobicContact CG2-CD1 4.33Å
453A72.8Confident79.8Confident0 Ų088.2 Ų88.20%043%0.429CS..EExtended strand (participates in β ladder)trans-111.6131.7169.500000110.7L474 C481 L483 N519 V520 L522A453-L474 HydrophobicContact CB-CD1 3.74Å; A453-C481 CarbonylContact C-O 3.39Å; A453-C481 VanDerWaalsContact CA-O 3.29Å; A453-C481 WeakPolarHBondContact CA-O 3.25Å; A453-C481 HydrophobicContact CB-CB 3.96Å; A453-L483 HydrophobicContact CB-CB 4.08Å; A453-N519 CarbonylContact O-C 3.58Å; A453-N519 WeakPolarHBondContact O-CA 3.34Å; A453-V520 PolarHBondContact N-O 3.44Å; A453-V520 PolarHBondContact O-N 2.6Å; A453-L522 HydrophobicContact CB-CD1 3.92Å; A453-L522 HydrophobicContact CB-CD2 3.91Å; A453-L522 HydrophobicContact CB-CG 3.84Å
454K79.3Confident78.5Confident102 Ų10288.3 Ų88.344%0.44343%0.429SS..EExtended strand (participates in β ladder)trans-75.7125.1170.6-172.5171.7-178179.80109.7V456 C481 H482 L483 N519K454-V456 HydrophobicContact CG-CG1 4.28Å; K454-C481 PolarHBondContact N-O 3.48Å; K454-H482 CarbonylContact O-C 3.48Å; K454-H482 VanDerWaalsContact O-CA 3.28Å; K454-H482 WeakPolarHBondContact O-CA 3.32Å; K454-L483 PolarHBondContact O-N 2.8Å; K454-N519 VanDerWaalsContact CA-OD1 3.25Å; K454-N519 WeakPolarHBondContact CA-OD1 3.26Å; K454-N519 WeakPolarHBondContact CB-OD1 3.36Å; K454-N519 VanDerWaalsContact CG-OD1 3.32Å; K454-N519 WeakPolarHBondContact CG-OD1 3.36Å
455M80.1Confident77.4Confident11 Ų1186.1 Ų86.15%0.05443%0.429CS..EExtended strand (participates in β ladder)trans-71.4135.4170.9-67.4-179.6-65.100109.4L459 A460 P464 I470 L483 G518 V520M455-L459 HydrophobicContact CG-CD2 4.49Å; M455-L459 HydrophobicContact SD-CD2 4.13Å; M455-A460 HydrophobicContact CB-CB 4.36Å; M455-P464 HydrophobicContact CE-CG 3.67Å; M455-P464 HydrophobicContact SD-CG 4.04Å; M455-I470 HydrophobicContact SD-CD1 3.58Å; M455-I470 VanDerWaalsContact SD-CD1 3.58Å; M455-L483 WeakPolarHBondContact CA-O 3.03Å; M455-G518 PolarHBondContact N-O 2.95Å; M455-V520 HydrophobicContact CE-CG2 3.61Å; M455-V520 HydrophobicContact CG-CG2 3.62Å; M455-V520 HydrophobicContact SD-CG2 3.48Å; M455-V520 WeakPolarHBondContact SD-CG2 3.36Å
456V82.6Confident76.3Confident17 Ų1790.7 Ų90.710%0.10345%0.454CS..  trans-135.5165.6178.4-59.90000111.1K454 L459 H482 L483 M484 Y492K454-V456 HydrophobicContact CG-CG1 4.28Å; V456-L459 WeakPolarHBondContact O-CB 3.45Å; V456-L459 PolarHBondContact O-N 3.24Å; V456-H482 HydrophobicContact CG2-CB 4.13Å; V456-L483 PolarHBondContact N-O 3.22Å; V456-M484 HydrophobicContact CG2-CB 3.79Å; V456-M484 HydrophobicContact CG2-CE 3.76Å; V456-Y492 HydrophobicContact CG2-CE1 4.4Å; V456-Y492 HydrophobicContact CG2-CE2 4.31Å
457G84.4Confident75.1Confident26 Ų2683 Ų8327%0.26844%0.437SS..G310 helixtrans65.2-142.4179.700000113L459 A460 D488G457-L459 PolarHBondContact O-N 2.8Å; G457-A460 PolarHBondContact O-N 3.49Å; G457-A460 VanDerWaalsContact O-N 3.07Å; G457-D488 VanDerWaalsContact CA-OD2 3.25Å; G457-D488 WeakPolarHBondContact CA-OD2 3.33Å
458R83.3Confident74.5Confident146 Ų14683.9 Ų83.955%0.55144%0.441SS*.G310 helixtrans-59.2-31.9179.1-63.3-176-165.6-178.51.4112.2A460 Q461 V485 D488R458-A460 PolarHBondContact O-N 2.72Å; R458-Q461 WeakPolarHBondContact O-CB 3.38Å; R458-Q461 PolarHBondContact O-N 2.94Å; R458-Q461 VanDerWaalsContact O-N 3.1Å; R458-V485 HydrophobicContact CB-CG2 4.14Å; R458-V485 HydrophobicContact CG-CG2 4.5Å; R458-D488 PolarHBondContact N-OD2 2.75Å; R458-D488 IonicContact NE-OD1 3.85Å
459L80.5Confident74.4Confident23 Ų2376.5 Ų76.512%0.1242%0.42CS..G310 helixtrans-63.4-29.5178.5-117.8162.7000112.7M455 V456 G457 I470 L483 M484 V485M455-L459 HydrophobicContact CG-CD2 4.49Å; M455-L459 HydrophobicContact SD-CD2 4.13Å; V456-L459 WeakPolarHBondContact O-CB 3.45Å; V456-L459 PolarHBondContact O-N 3.24Å; G457-L459 PolarHBondContact O-N 2.8Å; L459-I470 HydrophobicContact CD1-CG2 4.27Å; L459-I470 HydrophobicContact CD2-CD1 4.35Å; L459-I470 HydrophobicContact CD2-CG2 3.29Å; L459-I470 HydrophobicContact CG-CG2 4.37Å; L459-L483 HydrophobicContact CD1-CG 4.21Å; L459-M484 VanDerWaalsContact CD1-C 3.45Å; L459-V485 HydrophobicContact CB-CG1 4.42Å; L459-V485 HydrophobicContact CD1-CG1 3.69Å; L459-V485 HydrophobicContact CG-CG1 3.84Å
460A80.8Confident74.8Confident51 Ų5173.5 Ų73.542%0.42139%0.387SS..G310 helixtrans-81.7-11176.600000114M455 G457 R458 K462M455-A460 HydrophobicContact CB-CB 4.36Å; G457-A460 PolarHBondContact O-N 3.49Å; G457-A460 VanDerWaalsContact O-N 3.07Å; R458-A460 PolarHBondContact O-N 2.72Å; A460-K462 VanDerWaalsContact C-N 3.28Å; A460-K462 PolarHBondContact O-N 2.92Å
461Q82.6Confident75.3Confident160 Ų16071 Ų7175%0.74838%0.382SS*.G310 helixtrans-70.3-26-176.2-66.4178-10.700112.7R458R458-Q461 WeakPolarHBondContact O-CB 3.38Å; R458-Q461 PolarHBondContact O-N 2.94Å; R458-Q461 VanDerWaalsContact O-N 3.1Å
462K74.9Confident75.9Confident154 Ų15463.8 Ų63.867%0.6735%0.352SS*.SBendtrans-120123.4177.9-170.8177.3-179.4-178.20109.6A460 P464A460-K462 VanDerWaalsContact C-N 3.28Å; A460-K462 PolarHBondContact O-N 2.92Å; K462-P464 WeakPolarHBondContact O-CD 3.2Å
463T75.2Confident76.1Confident108 Ų10861.4 Ų61.466%0.66334%0.337SS*.PPolyproline II helixtrans-70.1124.5172.3-56.30000108.8L515T463-L515 HydrophobicContact CG2-CD1 4.17Å
464P70.9Confident76.3Confident7 Ų762.6 Ų62.65%0.04534%0.343CS..PPolyproline II helixtrans-73.6155.818029.6-36000112.9M455 K462 Q468 I470 V510M455-P464 HydrophobicContact CE-CG 3.67Å; M455-P464 HydrophobicContact SD-CG 4.04Å; K462-P464 WeakPolarHBondContact O-CD 3.2Å; P464-Q468 VanDerWaalsContact CA-OE1 3.27Å; P464-Q468 HydrophobicContact CB-CB 4.38Å; P464-I470 HydrophobicContact CB-CD1 3.61Å; P464-I470 HydrophobicContact CB-CG1 4.3Å; P464-I470 HydrophobicContact CG-CD1 3.73Å; P464-V510 HydrophobicContact CB-CB 4.47Å; P464-V510 HydrophobicContact CB-CG1 4.29Å; P464-V510 HydrophobicContact CB-CG2 3.87Å; P464-V510 HydrophobicContact CG-CB 4.49Å; P464-V510 HydrophobicContact CG-CG1 3.94Å; P464-V510 HydrophobicContact CG-CG2 3.88Å
465S73.3Confident75.9Confident73 Ų7358.6 Ų58.651%0.5133%0.327SS..PPolyproline II helixtrans-82.9161.4176.2-41.20000110.9G467 Q468S465-G467 PolarHBondContact O-N 3.09Å; S465-Q468 WeakPolarHBondContact O-CB 3.43Å; S465-Q468 PolarHBondContact O-N 2.8Å; S465-Q468 VanDerWaalsContact O-N 3.09Å
466D70.6Confident75.4Confident102 Ų10263.1 Ų63.155%0.54535%0.346SS..THydrogen-bonded Turntrans-62134.6175-16224.4000109.3Q468 R511 L512D466-Q468 PolarHBondContact O-N 3.03Å; D466-R511 WeakPolarHBondContact OD1-CA 3.29Å; D466-L512 HydrophobicContact CB-CB 3.79Å; D466-L512 HydrophobicContact CB-CD1 3.55Å; D466-L512 HydrophobicContact CB-CG 4.15Å; D466-L512 WeakPolarHBondContact OD1-CB 3.46Å; D466-L512 PolarHBondContact OD1-N 3.16Å
467G65.3Low74.9Confident43 Ų4368.5 Ų68.544%0.44337%0.365SS..THydrogen-bonded Turntrans72.10.2-176.900000115S465 I469 V510S465-G467 PolarHBondContact O-N 3.09Å; G467-I469 PolarHBondContact O-N 2.76Å; G467-V510 VanDerWaalsContact CA-O 3.26Å; G467-V510 WeakPolarHBondContact CA-O 3.3Å; G467-V510 PolarHBondContact N-O 3.07Å
468Q73.8Confident74.4Confident68 Ų6869.9 Ų69.932%0.31837%0.366SS..  trans-65.1129.7177.2-173.5179.9-18.200110.1P464 S465 D466 V510P464-Q468 VanDerWaalsContact CA-OE1 3.27Å; P464-Q468 HydrophobicContact CB-CB 4.38Å; S465-Q468 WeakPolarHBondContact O-CB 3.43Å; S465-Q468 PolarHBondContact O-N 2.8Å; S465-Q468 VanDerWaalsContact O-N 3.09Å; D466-Q468 PolarHBondContact O-N 3.03Å; Q468-V510 WeakPolarHBondContact O-CB 3.42Å; Q468-V510 VanDerWaalsContact O-CG2 3.32Å; Q468-V510 WeakPolarHBondContact O-CG2 3.3Å; Q468-V510 PolarHBondContact O-N 3.05Å
469I70.5Confident74Confident99 Ų9965.5 Ų65.551%0.50835%0.351SS..EExtended strand (participates in β ladder)trans-79.6127.1171.3-60.9171.9000108.3G467 E507 V509G467-I469 PolarHBondContact O-N 2.76Å; I469-E507 HydrophobicContact CG2-CB 3.87Å; I469-E507 HydrophobicContact CG2-CG 4.06Å; I469-V509 HydrophobicContact CG1-CG2 4.26Å
470I72.1Confident73.7Confident11 Ų1167.5 Ų67.56%0.05636%0.362CS..EExtended strand (participates in β ladder)trans-116.3133173.5-59.8-178.1000108.9M455 L459 P464 L483 V508 V510 V520M455-I470 HydrophobicContact SD-CD1 3.58Å; M455-I470 VanDerWaalsContact SD-CD1 3.58Å; L459-I470 HydrophobicContact CD1-CG2 4.27Å; L459-I470 HydrophobicContact CD2-CD1 4.35Å; L459-I470 HydrophobicContact CD2-CG2 3.29Å; L459-I470 HydrophobicContact CG-CG2 4.37Å; P464-I470 HydrophobicContact CB-CD1 3.61Å; P464-I470 HydrophobicContact CB-CG1 4.3Å; P464-I470 HydrophobicContact CG-CD1 3.73Å; I470-L483 HydrophobicContact CB-CD2 4.48Å; I470-L483 HydrophobicContact CG2-CD2 3.85Å; I470-V508 PolarHBondContact N-O 3.08Å; I470-V508 PolarHBondContact O-N 2.76Å; I470-V510 HydrophobicContact CD1-CG2 3.38Å; I470-V510 HydrophobicContact CG1-CG2 3.72Å; I470-V520 HydrophobicContact CD1-CG2 4.49Å
471S73.1Confident73.4Confident70 Ų7066 Ų6649%0.4935%0.348SS..EExtended strand (participates in β ladder)trans-106.9139.2170.256.60000111.3L506S471-L506 WeakPolarHBondContact CA-O 3.31Å
472G77.6Confident73.3Confident3 Ų361 Ų613%0.03132%0.324CS..EExtended strand (participates in β ladder)trans-171.7174.7177.500000112.4M484 L506G472-M484 CarbonylContact C-O 3.5Å; G472-M484 VanDerWaalsContact CA-O 3.3Å; G472-M484 WeakPolarHBondContact CA-O 3.47Å; G472-L506 PolarHBondContact N-O 3.07Å; G472-L506 PolarHBondContact O-N 2.84Å
473I74.9Confident73.6Confident16 Ų1653.6 Ų53.68%0.08229%0.292CS..EExtended strand (participates in β ladder)trans-86124.7169.8-57.2-172.9000108V475 M484 P486 L489I473-V475 HydrophobicContact CG2-CG2 4.1Å; I473-M484 PolarHBondContact N-O 2.9Å; I473-M484 PolarHBondContact O-N 3.41Å; I473-P486 HydrophobicContact CD1-CB 3.83Å; I473-P486 HydrophobicContact CD1-CG 3.97Å; I473-P486 HydrophobicContact CG1-CB 4.42Å; I473-P486 HydrophobicContact CG1-CG 4.04Å; I473-L489 HydrophobicContact CD1-CD2 4.16Å; I473-L489 HydrophobicContact CG2-CD1 4.27Å
474L75.9Confident73.9Confident25 Ų2548.5 Ų48.513%0.13126%0.261CS..EExtended strand (participates in β ladder)trans-88.1114.2171.8-177.168.4000110A453 C481 H482 L506 L522A453-L474 HydrophobicContact CB-CD1 3.74Å; L474-C481 HydrophobicContact CD1-CB 3.92Å; L474-H482 CarbonylContact C-O 3.5Å; L474-H482 WeakPolarHBondContact CA-O 3.43Å; L474-L506 HydrophobicContact CB-CD1 3.66Å; L474-L506 HydrophobicContact CD2-CD1 3.68Å; L474-L506 HydrophobicContact CG-CD1 4.31Å; L474-L522 HydrophobicContact CD1-CD1 3.84Å; L474-L522 HydrophobicContact CD1-CD2 4.1Å; L474-L522 HydrophobicContact CD2-CD1 3.72Å; L474-L522 HydrophobicContact CD2-CD2 4.26Å; L474-L522 HydrophobicContact CG-CD1 4.46Å
475V72Confident74.5Confident17 Ų1749.5 Ų49.510%0.10327%0.267CS..EExtended strand (participates in β ladder)trans-104.2124.2175-177.10000108.8I473 H482 M484 L489 V499I473-V475 HydrophobicContact CG2-CG2 4.1Å; V475-H482 PolarHBondContact N-O 2.93Å; V475-H482 PolarHBondContact O-N 3.01Å; V475-M484 HydrophobicContact CB-CE 3.98Å; V475-M484 HydrophobicContact CG2-CE 3.66Å; V475-M484 HydrophobicContact CG2-CG 4.46Å; V475-M484 HydrophobicContact CG2-SD 3.97Å; V475-L489 HydrophobicContact CG2-CD1 3.71Å; V475-V499 HydrophobicContact CG1-CG2 4.3Å
476K69.6Low74.6Confident106 Ų10649.3 Ų49.346%0.46126%0.264SS..EExtended strand (participates in β ladder)trans-111.4127.7179.7-175.7-179.5173.3-169.60110.4N478 N480K476-N478 WeakPolarHBondContact CE-O 3.48Å; K476-N480 WeakPolarHBondContact CA-O 3.28Å
477R71.1Confident75.1Confident130 Ų13050 Ų5049%0.49126%0.264SS..EExtended strand (participates in β ladder)trans-128116.9169.1-174179.1-178.8-165.43.2108.7F479 N480R477-F479 PolarHBondContact O-N 2.79Å; R477-F479 VanDerWaalsContact O-N 3.09Å; R477-N480 PolarHBondContact N-O 3.42Å; R477-N480 PolarHBondContact O-N 3.37Å
478N74Confident75.9Confident55 Ų5548.7 Ų48.729%0.29425%0.247SC..THydrogen-bonded Turntrans53.1-113.8-170.3-58.7-29.7000110.5E134 G137 K476E134-N478 PolarHBondContact OE1-ND2 3.48Å; G137-N478 VanDerWaalsContact CA-ND2 3.33Å; G137-N478 WeakPolarHBondContact CA-ND2 3.43Å; G137-N478 PolarHBondContact N-ND2 3.23Å; K476-N478 WeakPolarHBondContact CE-O 3.48Å
479F74.9Confident75.8Confident55 Ų5546.6 Ų46.624%0.24124%0.238CC..THydrogen-bonded Turntrans-104.7-0.4177.9-52.9-64.9000113.8K22 K24 G137 I158 A159 R477K22-F479 HydrophobicContact CB-CE1 3.52Å; K22-F479 HydrophobicContact CB-CZ 3.62Å; K22-F479 HydrophobicContact CG-CE1 3.97Å; K22-F479 HydrophobicContact CG-CZ 4.38Å; K24-F479 HydrophobicContact CG-CE2 4.24Å; K24-F479 HydrophobicContact CG-CZ 4.06Å; G137-F479 WeakPolarHBondContact O-CD2 3.42Å; I158-F479 HydrophobicContact CG2-CD2 4.18Å; I158-F479 HydrophobicContact CG2-CE2 3.44Å; I158-F479 VanDerWaalsContact CG2-CE2 3.44Å; I158-F479 HydrophobicContact CG2-CZ 3.66Å; A159-F479 HydrophobicContact CB-CB 3.93Å; A159-F479 HydrophobicContact CB-CD1 3.47Å; A159-F479 VanDerWaalsContact CB-CD1 3.47Å; A159-F479 HydrophobicContact CB-CD2 4.15Å; A159-F479 HydrophobicContact CB-CE1 3.99Å; A159-F479 HydrophobicContact CB-CG 3.55Å; R477-F479 PolarHBondContact O-N 2.79Å; R477-F479 VanDerWaalsContact O-N 3.09Å
480N73.7Confident76Confident65 Ų6546.1 Ų46.135%0.34824%0.241SC..EExtended strand (participates in β ladder)trans-88.4131.5175.5-58.5-50.1000109.5K476 R477K476-N480 WeakPolarHBondContact CA-O 3.28Å; R477-N480 PolarHBondContact N-O 3.42Å; R477-N480 PolarHBondContact O-N 3.37Å
481C75.5Confident76Confident20 Ų2050.6 Ų50.614%0.13527%0.269CS..EExtended strand (participates in β ladder)trans-114.2130.5175.9-80.20000108.7T452 A453 K454 L474 L522T452-C481 WeakPolarHBondContact O-CB 3.14Å; A453-C481 CarbonylContact C-O 3.39Å; A453-C481 VanDerWaalsContact CA-O 3.29Å; A453-C481 WeakPolarHBondContact CA-O 3.25Å; A453-C481 HydrophobicContact CB-CB 3.96Å; K454-C481 PolarHBondContact N-O 3.48Å; L474-C481 HydrophobicContact CD1-CB 3.92Å; C481-L522 HydrophobicContact CB-CD1 4.14Å
482H80.4Confident75.7Confident53 Ų5350.5 Ų50.525%0.24526%0.258CS..EExtended strand (participates in β ladder)trans-119.4130176.1-64.1-67.4000109.8K454 V456 L474 V475 M484K454-H482 CarbonylContact O-C 3.48Å; K454-H482 VanDerWaalsContact O-CA 3.28Å; K454-H482 WeakPolarHBondContact O-CA 3.32Å; V456-H482 HydrophobicContact CG2-CB 4.13Å; L474-H482 CarbonylContact C-O 3.5Å; L474-H482 WeakPolarHBondContact CA-O 3.43Å; V475-H482 PolarHBondContact N-O 2.93Å; V475-H482 PolarHBondContact O-N 3.01Å; H482-M484 HydrophobicContact CB-CE 4Å
483L82Confident74.8Confident0 Ų054.2 Ų54.20%028%0.277CS..EExtended strand (participates in β ladder)trans-104.3123.4173.2-172.169.6000108.6A453 K454 M455 V456 L459 I470 V508A453-L483 HydrophobicContact CB-CB 4.08Å; K454-L483 PolarHBondContact O-N 2.8Å; M455-L483 WeakPolarHBondContact CA-O 3.03Å; V456-L483 PolarHBondContact N-O 3.22Å; L459-L483 HydrophobicContact CD1-CG 4.21Å; I470-L483 HydrophobicContact CB-CD2 4.48Å; I470-L483 HydrophobicContact CG2-CD2 3.85Å; L483-V508 HydrophobicContact CD2-CG2 4.39Å
484M81Confident73.8Confident1 Ų158.9 Ų58.91%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-142.6161.9-17767-173.270.700111.5V456 L459 G472 I473 V475 H482 D488 L489 Y492V456-M484 HydrophobicContact CG2-CB 3.79Å; V456-M484 HydrophobicContact CG2-CE 3.76Å; L459-M484 VanDerWaalsContact CD1-C 3.45Å; G472-M484 CarbonylContact C-O 3.5Å; G472-M484 VanDerWaalsContact CA-O 3.3Å; G472-M484 WeakPolarHBondContact CA-O 3.47Å; I473-M484 PolarHBondContact N-O 2.9Å; I473-M484 PolarHBondContact O-N 3.41Å; V475-M484 HydrophobicContact CB-CE 3.98Å; V475-M484 HydrophobicContact CG2-CE 3.66Å; V475-M484 HydrophobicContact CG2-CG 4.46Å; V475-M484 HydrophobicContact CG2-SD 3.97Å; H482-M484 HydrophobicContact CB-CE 4Å; M484-D488 HydrophobicContact CB-CB 4.43Å; M484-L489 HydrophobicContact SD-CD1 3.9Å; M484-Y492 HydrophobicContact CE-CD2 4.01Å; M484-Y492 HydrophobicContact CE-CG 4Å; M484-Y492 HydrophobicContact SD-CD2 3.83Å; M484-Y492 HydrophobicContact SD-CG 4.27Å
485V82.7Confident72.5Confident28 Ų2861.2 Ų61.217%0.1732%0.323CS..  trans-77.9152173.5-62.20000109.5R458 L459 E487 D488R458-V485 HydrophobicContact CB-CG2 4.14Å; R458-V485 HydrophobicContact CG-CG2 4.5Å; L459-V485 HydrophobicContact CB-CG1 4.42Å; L459-V485 HydrophobicContact CD1-CG1 3.69Å; L459-V485 HydrophobicContact CG-CG1 3.84Å; V485-E487 WeakPolarHBondContact CB-OE2 3.44Å; V485-E487 HydrophobicContact CG2-CB 4.45Å; V485-E487 WeakPolarHBondContact CG2-OE2 2.97Å; V485-E487 PolarHBondContact O-N 3.09Å; V485-E487 VanDerWaalsContact O-N 3.08Å; V485-D488 HydrophobicContact CG2-CB 4.21Å; V485-D488 WeakPolarHBondContact CG2-OD2 2.98Å; V485-D488 PolarHBondContact O-N 2.8Å
486P76.3Confident71.4Confident69 Ų6963.3 Ų63.345%0.44833%0.332SS..G310 helixtrans-52.3-32.4-178.9-27.234.7000114.8I473 D488 L489I473-P486 HydrophobicContact CD1-CB 3.83Å; I473-P486 HydrophobicContact CD1-CG 3.97Å; I473-P486 HydrophobicContact CG1-CB 4.42Å; I473-P486 HydrophobicContact CG1-CG 4.04Å; P486-D488 VanDerWaalsContact C-N 3.3Å; P486-D488 PolarHBondContact O-N 2.81Å; P486-L489 VanDerWaalsContact O-CB 3.26Å; P486-L489 WeakPolarHBondContact O-CB 3.19Å; P486-L489 PolarHBondContact O-N 3.46Å
487E81.6Confident70.2Confident115 Ų11563.6 Ų63.654%0.53734%0.343SS..G310 helixtrans-71.2-24-177.9-59.172.2-154.900113.3V485 P490V485-E487 WeakPolarHBondContact CB-OE2 3.44Å; V485-E487 HydrophobicContact CG2-CB 4.45Å; V485-E487 WeakPolarHBondContact CG2-OE2 2.97Å; V485-E487 PolarHBondContact O-N 3.09Å; V485-E487 VanDerWaalsContact O-N 3.08Å; E487-P490 WeakPolarHBondContact O-CD 3.26Å
488D81.4Confident68.9Low17 Ų1763.7 Ų63.79%0.09135%0.348CS..G310 helixtrans-83.7-17178.5-70.1-24.3000111.6G457 R458 M484 V485 P486 V491 Y492G457-D488 VanDerWaalsContact CA-OD2 3.25Å; G457-D488 WeakPolarHBondContact CA-OD2 3.33Å; R458-D488 PolarHBondContact N-OD2 2.75Å; R458-D488 IonicContact NE-OD1 3.85Å; M484-D488 HydrophobicContact CB-CB 4.43Å; V485-D488 HydrophobicContact CG2-CB 4.21Å; V485-D488 WeakPolarHBondContact CG2-OD2 2.98Å; V485-D488 PolarHBondContact O-N 2.8Å; P486-D488 VanDerWaalsContact C-N 3.3Å; P486-D488 PolarHBondContact O-N 2.81Å; D488-V491 WeakPolarHBondContact O-CB 3.32Å; D488-V491 PolarHBondContact O-N 3.02Å; D488-Y492 HydrophobicContact CB-CE2 4.29Å; D488-Y492 VanDerWaalsContact O-CD2 3.31Å; D488-Y492 WeakPolarHBondContact O-CD2 3.48Å
489L71.9Confident67.3Low24 Ų2463.8 Ų63.813%0.12635%0.351CS..Hα-helixtrans-50.4-45.8-176.4-164.571.9000114I473 V475 M484 P486 V491 Y492 D493 M496I473-L489 HydrophobicContact CD1-CD2 4.16Å; I473-L489 HydrophobicContact CG2-CD1 4.27Å; V475-L489 HydrophobicContact CG2-CD1 3.71Å; M484-L489 HydrophobicContact SD-CD1 3.9Å; P486-L489 VanDerWaalsContact O-CB 3.26Å; P486-L489 WeakPolarHBondContact O-CB 3.19Å; P486-L489 PolarHBondContact O-N 3.46Å; L489-V491 PolarHBondContact O-N 3.27Å; L489-V491 VanDerWaalsContact O-N 3.16Å; L489-Y492 CarbonylContact O-C 3.49Å; L489-Y492 PolarHBondContact O-N 2.96Å; L489-D493 PolarHBondContact O-N 3.31Å; L489-M496 HydrophobicContact CD1-CE 3.41Å; L489-M496 VanDerWaalsContact CD1-CE 3.41Å; L489-M496 HydrophobicContact CD2-CE 4.19Å; L489-M496 HydrophobicContact CG-CE 3.72Å
490P74.5Confident65.6Low88 Ų8868.5 Ų68.557%0.57138%0.379SS*.Hα-helixtrans-61.7-26.6-179.4-21.334000113.8E487 Y492E487-P490 WeakPolarHBondContact O-CD 3.26Å; P490-Y492 VanDerWaalsContact C-N 3.26Å; P490-Y492 PolarHBondContact O-N 3.07Å
491V71.9Confident64Low106 Ų10670 Ų7064%0.64239%0.386SS*.Hα-helixtrans-70.5-29177.1-174.90000110.8D488 L489D488-V491 WeakPolarHBondContact O-CB 3.32Å; D488-V491 PolarHBondContact O-N 3.02Å; L489-V491 PolarHBondContact O-N 3.27Å; L489-V491 VanDerWaalsContact O-N 3.16Å
492Y66.1Low62.2Low68 Ų6873.6 Ų73.627%0.26741%0.409SS..Hα-helixtrans-101.72.8-179.6-62.5-90000113.1V456 M484 D488 L489 P490 S494 I495V456-Y492 HydrophobicContact CG2-CE1 4.4Å; V456-Y492 HydrophobicContact CG2-CE2 4.31Å; M484-Y492 HydrophobicContact CE-CD2 4.01Å; M484-Y492 HydrophobicContact CE-CG 4Å; M484-Y492 HydrophobicContact SD-CD2 3.83Å; M484-Y492 HydrophobicContact SD-CG 4.27Å; D488-Y492 HydrophobicContact CB-CE2 4.29Å; D488-Y492 VanDerWaalsContact O-CD2 3.31Å; D488-Y492 WeakPolarHBondContact O-CD2 3.48Å; L489-Y492 CarbonylContact O-C 3.49Å; L489-Y492 PolarHBondContact O-N 2.96Å; P490-Y492 VanDerWaalsContact C-N 3.26Å; P490-Y492 PolarHBondContact O-N 3.07Å; Y492-S494 VanDerWaalsContact C-N 3.25Å; Y492-S494 PolarHBondContact O-N 3.04Å; Y492-I495 HydrophobicContact CD1-CD1 4.05Å; Y492-I495 WeakPolarHBondContact O-CB 3.43Å; Y492-I495 PolarHBondContact O-N 3.1Å
493D58.9Low60.4Low81 Ų8179.5 Ų79.543%0.43343%0.434SS..G310 helixtrans-59-35.1-179.9-91.4-3.3000112.4L489 I495 M496L489-D493 PolarHBondContact O-N 3.31Å; D493-I495 PolarHBondContact O-N 3.07Å; D493-M496 WeakPolarHBondContact O-CB 3.42Å; D493-M496 WeakPolarHBondContact O-CG 3.34Å; D493-M496 PolarHBondContact O-N 3.23Å; D493-M496 VanDerWaalsContact O-N 3.07Å; D493-M496 VanDerWaalsContact OD1-CE 3.3Å; D493-M496 WeakPolarHBondContact OD1-CE 3.33Å
494S53.6Low58.7Low113 Ų11382.8 Ų82.879%0.7945%0.454SS*.G310 helixtrans-64.5-10.2176.260.40000113.9Y492Y492-S494 VanDerWaalsContact C-N 3.25Å; Y492-S494 PolarHBondContact O-N 3.04Å
495I49.5Very low57Low75 Ų7587.5 Ų87.539%0.38548%0.483SS..G310 helixtrans-100.8-0.8-179.5-59172000111.3Y492 D493Y492-I495 HydrophobicContact CD1-CD1 4.05Å; Y492-I495 WeakPolarHBondContact O-CB 3.43Å; Y492-I495 PolarHBondContact O-N 3.1Å; D493-I495 PolarHBondContact O-N 3.07Å
496M49.6Very low55.5Low60 Ų6089.1 Ų89.130%0.29649%0.491SS..  trans-82.8125.5-173.5-68.4-163.1168.500114.3L489 D493 V499L489-M496 HydrophobicContact CD1-CE 3.41Å; L489-M496 VanDerWaalsContact CD1-CE 3.41Å; L489-M496 HydrophobicContact CD2-CE 4.19Å; L489-M496 HydrophobicContact CG-CE 3.72Å; D493-M496 WeakPolarHBondContact O-CB 3.42Å; D493-M496 WeakPolarHBondContact O-CG 3.34Å; D493-M496 PolarHBondContact O-N 3.23Å; D493-M496 VanDerWaalsContact O-N 3.07Å; D493-M496 VanDerWaalsContact OD1-CE 3.3Å; D493-M496 WeakPolarHBondContact OD1-CE 3.33Å; M496-V499 HydrophobicContact CE-CG2 3.7Å; M496-V499 HydrophobicContact CG-CG2 4.15Å; M496-V499 HydrophobicContact SD-CB 4.49Å; M496-V499 HydrophobicContact SD-CG2 3.7Å
497V44.5Very low54.1Low113 Ų11392.9 Ų92.969%0.68550%0.502SS*.SBendtrans-129.4-17.6158.5-177.20000112.6
498H42.1Very low52.8Low131 Ų13187.8 Ų87.861%0.60648%0.479SS*.  trans-142.474.4-179.7-73.1-43.8000113.3
499V40.7Very low51.2Low57 Ų5789.9 Ų89.935%0.34549%0.492SS..  trans-103.868.9159.7-169.40000108V475 M496 L501V475-V499 HydrophobicContact CG1-CG2 4.3Å; M496-V499 HydrophobicContact CE-CG2 3.7Å; M496-V499 HydrophobicContact CG-CG2 4.15Å; M496-V499 HydrophobicContact SD-CB 4.49Å; M496-V499 HydrophobicContact SD-CG2 3.7Å; V499-L501 VanDerWaalsContact C-N 3.25Å
500N39.8Very low50.2Low155 Ų15588.8 Ų88.883%0.82949%0.486SS*.  trans-93.214.1165.3-89-7.8000111.7
501L40.3Very low48.9Very low95 Ų9592.5 Ų92.550%0.49749%0.489SS..SBendtrans-83130.2163.8-73160.7000106.2V499V499-L501 VanDerWaalsContact C-N 3.25Å
502P37.7Very low47.6Very low97 Ų9791.5 Ų91.563%0.6348%0.48SS*.  trans-47152.7162.410.3-16.6000108.4V504P502-V504 HydrophobicContact CB-CG2 4.01Å; P502-V504 HydrophobicContact CG-CG2 3.76Å; P502-V504 WeakPolarHBondContact O-CG2 3.25Å; P502-V504 PolarHBondContact O-N 2.77Å
503K43.2Very low46.4Very low176 Ų17693.4 Ų93.477%0.76550%0.503SS*.  trans-61.678.2169.8-70.1-178.7-179.8-179.30108.2
504V44.6Very low45.5Very low69 Ų6994.7 Ų94.742%0.41851%0.508SS..  trans-90.2108.3176.6-178.40000104.1P502 L506P502-V504 HydrophobicContact CB-CG2 4.01Å; P502-V504 HydrophobicContact CG-CG2 3.76Å; P502-V504 WeakPolarHBondContact O-CG2 3.25Å; P502-V504 PolarHBondContact O-N 2.77Å; V504-L506 HydrophobicContact CG1-CD2 3.98Å; V504-L506 HydrophobicContact CG1-CG 4.09Å; V504-L506 PolarHBondContact O-N 3.42Å
505T46.2Very low44.9Very low100 Ų10091.4 Ų91.461%0.61348%0.481SS*.EExtended strand (participates in β ladder)trans-60.4108.2161.8-56.30000106.2
506L51.7Low44.6Very low63 Ų6393.7 Ų93.733%0.3349%0.494SS..EExtended strand (participates in β ladder)trans-91.7126174.2-74.9166.3000107.8S471 G472 L474 V504 V508S471-L506 WeakPolarHBondContact CA-O 3.31Å; G472-L506 PolarHBondContact N-O 3.07Å; G472-L506 PolarHBondContact O-N 2.84Å; L474-L506 HydrophobicContact CB-CD1 3.66Å; L474-L506 HydrophobicContact CD2-CD1 3.68Å; L474-L506 HydrophobicContact CG-CD1 4.31Å; V504-L506 HydrophobicContact CG1-CD2 3.98Å; V504-L506 HydrophobicContact CG1-CG 4.09Å; V504-L506 PolarHBondContact O-N 3.42Å; L506-V508 HydrophobicContact CB-CG2 4.26Å
507E46.3Very low44.6Very low147 Ų14798.5 Ų98.569%0.68752%0.515SS*.EExtended strand (participates in β ladder)trans-86.2115.4163.7-72.7-174169.800108.1I469I469-E507 HydrophobicContact CG2-CB 3.87Å; I469-E507 HydrophobicContact CG2-CG 4.06Å
508V53.3Low45Very low8 Ų894.6 Ų94.65%0.04850%0.497CS..EExtended strand (participates in β ladder)trans-110.2122.2-179.1-174.70000108.1I470 L483 L506 V510 V520 L521 L522I470-V508 PolarHBondContact N-O 3.08Å; I470-V508 PolarHBondContact O-N 2.76Å; L483-V508 HydrophobicContact CD2-CG2 4.39Å; L506-V508 HydrophobicContact CB-CG2 4.26Å; V508-V510 PolarHBondContact O-N 3.32Å; V508-V520 HydrophobicContact CG1-CG1 3.64Å; V508-L521 WeakPolarHBondContact CG1-O 3.43Å; V508-L522 HydrophobicContact CG1-CD2 4.2Å; V508-L522 HydrophobicContact CG2-CD2 3.71Å
509V48.9Very low45.6Very low61 Ų6190.8 Ų90.837%0.3748%0.481SS..EExtended strand (participates in β ladder)trans-80.7115.8172.3-178.60000108.4I469 R511I469-V509 HydrophobicContact CG1-CG2 4.26Å; V509-R511 PolarHBondContact O-N 2.95Å
510V50Low46.5Very low1 Ų188.1 Ų88.11%0.00647%0.466CS..  trans-71.8128.2175.9179.50000109.2P464 G467 Q468 I470 V508 V520P464-V510 HydrophobicContact CB-CB 4.47Å; P464-V510 HydrophobicContact CB-CG1 4.29Å; P464-V510 HydrophobicContact CB-CG2 3.87Å; P464-V510 HydrophobicContact CG-CB 4.49Å; P464-V510 HydrophobicContact CG-CG1 3.94Å; P464-V510 HydrophobicContact CG-CG2 3.88Å; G467-V510 VanDerWaalsContact CA-O 3.26Å; G467-V510 WeakPolarHBondContact CA-O 3.3Å; G467-V510 PolarHBondContact N-O 3.07Å; Q468-V510 WeakPolarHBondContact O-CB 3.42Å; Q468-V510 VanDerWaalsContact O-CG2 3.32Å; Q468-V510 WeakPolarHBondContact O-CG2 3.3Å; Q468-V510 PolarHBondContact O-N 3.05Å; I470-V510 HydrophobicContact CD1-CG2 3.38Å; I470-V510 HydrophobicContact CG1-CG2 3.72Å; V508-V510 PolarHBondContact O-N 3.32Å; V510-V520 HydrophobicContact CB-CG1 4.27Å; V510-V520 HydrophobicContact CG1-CG1 4.49Å; V510-V520 HydrophobicContact CG2-CG1 3.67Å; V510-V520 HydrophobicContact CG2-CG2 4.26Å
511R48.9Very low47.3Very low167 Ų16782.4 Ų82.463%0.6344%0.435SS*.  trans-110.7125.6162.9-74.1-164.1177.1-157.10.3110.1D466 V509 S513D466-R511 WeakPolarHBondContact OD1-CA 3.29Å; V509-R511 PolarHBondContact O-N 2.95Å; R511-S513 PolarHBondContact O-N 3.48Å
512L43.7Very low48Very low85 Ų8578.8 Ų78.845%0.44542%0.416SS..G310 helixtrans-71.4-14.9-171.7-127.1162.6000113.2D466 M514 L515D466-L512 HydrophobicContact CB-CB 3.79Å; D466-L512 HydrophobicContact CB-CD1 3.55Å; D466-L512 HydrophobicContact CB-CG 4.15Å; D466-L512 WeakPolarHBondContact OD1-CB 3.46Å; D466-L512 PolarHBondContact OD1-N 3.16Å; L512-M514 PolarHBondContact O-N 3.03Å; L512-L515 HydrophobicContact CD2-CB 4.36Å; L512-L515 HydrophobicContact CD2-CD1 3.75Å; L512-L515 HydrophobicContact CG-CD1 3.86Å; L512-L515 PolarHBondContact O-N 3.01Å
513S41Very low48.6Very low108 Ų10883 Ų8376%0.75543%0.432SS*.G310 helixtrans-58-12-173.354.60000115.1R511R511-S513 PolarHBondContact O-N 3.48Å
514M39.6Very low48.8Very low107 Ų10778.3 Ų78.353%0.52742%0.415SS..G310 helixtrans-146.843.1173.7-69.6-160.9-77.500114.6E450 L512 L516E450-M514 WeakPolarHBondContact OE2-CE 3.48Å; L512-M514 PolarHBondContact O-N 3.03Å; M514-L516 PolarHBondContact O-N 3.34Å
515L41.7Very low49.1Very low45 Ų4578.8 Ų78.824%0.23642%0.415CS..  trans-70.158.7164.1-89.1168.9000111.4T463 L512 N519T463-L515 HydrophobicContact CG2-CD1 4.17Å; L512-L515 HydrophobicContact CD2-CB 4.36Å; L512-L515 HydrophobicContact CD2-CD1 3.75Å; L512-L515 HydrophobicContact CG-CD1 3.86Å; L512-L515 PolarHBondContact O-N 3.01Å; L515-N519 WeakPolarHBondContact CD2-O 3.34Å
516L42.5Very low49.2Very low123 Ų12377.6 Ų77.664%0.64440%0.404SS*.SBendtrans-88.7107.7162.4-84.7158.8000106.3M514M514-L516 PolarHBondContact O-N 3.34Å
517H50.6Low49.1Very low160 Ų16078.5 Ų78.574%0.74141%0.408SS*.SBendtrans77.529.9167-43.786.8000118.1
518G52.2Low49.3Very low31 Ų3174.2 Ų74.232%0.3239%0.391SS..SBendtrans82.923.9168.700000115.9M455M455-G518 PolarHBondContact N-O 2.95Å
519N55.2Low49Very low51 Ų5178.6 Ų78.627%0.27341%0.414SS..EExtended strand (participates in β ladder)trans-100.4146.9174.2-62.9-28.3000111.5A453 K454 L515A453-N519 CarbonylContact O-C 3.58Å; A453-N519 WeakPolarHBondContact O-CA 3.34Å; K454-N519 VanDerWaalsContact CA-OD1 3.25Å; K454-N519 WeakPolarHBondContact CA-OD1 3.26Å; K454-N519 WeakPolarHBondContact CB-OD1 3.36Å; K454-N519 VanDerWaalsContact CG-OD1 3.32Å; K454-N519 WeakPolarHBondContact CG-OD1 3.36Å; L515-N519 WeakPolarHBondContact CD2-O 3.34Å
520V59.7Low49Very low2 Ų279.9 Ų79.91%0.01242%0.417CS..EExtended strand (participates in β ladder)trans-120.1139.7177.4-177.60000109.1T452 A453 M455 I470 V508 V510T452-V520 CarbonylContact C-O 3.52Å; T452-V520 WeakPolarHBondContact CA-O 3.35Å; A453-V520 PolarHBondContact N-O 3.44Å; A453-V520 PolarHBondContact O-N 2.6Å; M455-V520 HydrophobicContact CE-CG2 3.61Å; M455-V520 HydrophobicContact CG-CG2 3.62Å; M455-V520 HydrophobicContact SD-CG2 3.48Å; M455-V520 WeakPolarHBondContact SD-CG2 3.36Å; I470-V520 HydrophobicContact CD1-CG2 4.49Å; V508-V520 HydrophobicContact CG1-CG1 3.64Å; V510-V520 HydrophobicContact CB-CG1 4.27Å; V510-V520 HydrophobicContact CG1-CG1 4.49Å; V510-V520 HydrophobicContact CG2-CG1 3.67Å; V510-V520 HydrophobicContact CG2-CG2 4.26Å
521L55.3Low48.9Very low34 Ų3485.9 Ų85.918%0.17845%0.448CS..EExtended strand (participates in β ladder)trans-72.3129.1176.6-155.2110.6000110.9E450 K451 T452 V508 L523E450-L521 HydrophobicContact CB-CD1 3.84Å; E450-L521 HydrophobicContact CG-CD1 4.22Å; E450-L521 WeakPolarHBondContact OE2-CD1 3.33Å; K451-L521 CarbonylContact O-C 3.54Å; T452-L521 HydrophobicContact CG2-CD1 4.33Å; V508-L521 WeakPolarHBondContact CG1-O 3.43Å; L521-L523 HydrophobicContact CD2-CD2 3.68Å; L521-L523 HydrophobicContact CD2-CG 3.99Å
522L55.1Low48.9Very low19 Ų1979.2 Ų79.210%0.09943%0.433CS..EExtended strand (participates in β ladder)trans-90.9109.5168.7-63.7171.1000107.8K451 A453 L474 C481 V508K451-L522 HydrophobicContact CB-CB 3.91Å; K451-L522 HydrophobicContact CB-CD1 4.33Å; K451-L522 PolarHBondContact O-N 3.32Å; A453-L522 HydrophobicContact CB-CD1 3.92Å; A453-L522 HydrophobicContact CB-CD2 3.91Å; A453-L522 HydrophobicContact CB-CG 3.84Å; L474-L522 HydrophobicContact CD1-CD1 3.84Å; L474-L522 HydrophobicContact CD1-CD2 4.1Å; L474-L522 HydrophobicContact CD2-CD1 3.72Å; L474-L522 HydrophobicContact CD2-CD2 4.26Å; L474-L522 HydrophobicContact CG-CD1 4.46Å; C481-L522 HydrophobicContact CB-CD1 4.14Å; V508-L522 HydrophobicContact CG1-CD2 4.2Å; V508-L522 HydrophobicContact CG2-CD2 3.71Å
523L50.6Low49.4Very low185 Ų18578.6 Ų78.697%0.96943%0.432SS*.  trans-74.70169.2-71.7168.9000111L521L521-L523 HydrophobicContact CD2-CD2 3.68Å; L521-L523 HydrophobicContact CD2-CG 3.99Å

Retrieved 523 of 523 residues in 517.6 ms (Link to these results)

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