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Phosphonates import ATP-binding protein PhnC

Part of the ABC transporter complex PhnCDE involved in phosphonates import. Responsible for energy coupling to the transport system.

AlphaFold DB (Q2G1L8), UniProt , Accession Q99X73, Species STAAM (Staphylococcus aureus (strain Mu50 / ATCC 700699)), Gene phnC, Length 257 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
1M67.5Low93.6Very high215 Ų21547.5 Ų47.5100%1.05924%0.239SC*.  0116.80-106.3-158-133.600104.1Q3 E28M1-Q3 PolarHBondContact O-N 3.29Å; M1-E28 PolarHBondContact N-OE2 3.21Å
2S87.9Confident93.7Very high28 Ų2848.5 Ų48.520%0.19625%0.25CC..  trans-53.6129.8-175.2-1770000111.2I4 I27 E28S2-I4 VanDerWaalsContact OG-C 3.28Å; S2-I4 PolarHBondContact OG-O 3.44Å; S2-I27 PolarHBondContact OG-N 2.66Å; S2-I27 PolarHBondContact OG-O 3.33Å; S2-I27 VanDerWaalsContact OG-O 3.07Å; S2-E28 WeakPolarHBondContact CA-OE1 3.46Å; S2-E28 WeakPolarHBondContact CB-OE1 3.36Å; S2-E28 PolarHBondContact N-OE1 3.35Å; S2-E28 PolarHBondContact N-OE2 2.88Å
3Q95.3Very high93.7Very high8 Ų849.2 Ų49.24%0.03725%0.248CC..SBendtrans-84.2-30.8176.9-154.1-169.326.900111M1 I27 K29 I63 Q64 E167 I168 T200M1-Q3 PolarHBondContact O-N 3.29Å; Q3-I27 PolarHBondContact N-O 3.43Å; Q3-K29 HydrophobicContact CB-CB 4.31Å; Q3-I63 WeakPolarHBondContact O-CA 3.31Å; Q3-Q64 HydrophobicContact CG-CG 3.91Å; Q3-Q64 PolarHBondContact O-N 3.18Å; Q3-E167 PolarHBondContact NE2-OE2 3.26Å; Q3-I168 HydrophobicContact CG-CD1 4.16Å; Q3-I168 HydrophobicContact CG-CG1 4.32Å; Q3-T200 PolarHBondContact OE1-OG1 3.03Å
4I97.5Very high93.4Very high0 Ų055.5 Ų55.50%029%0.294CS..EExtended strand (participates in β ladder)trans-131.4117.6173.4-50168.1000108.5S2 F6 N26 I27 V50 F62 I63 I168S2-I4 VanDerWaalsContact OG-C 3.28Å; S2-I4 PolarHBondContact OG-O 3.44Å; I4-F6 HydrophobicContact CG2-CD2 4.17Å; I4-F6 HydrophobicContact CG2-CE2 3.55Å; I4-F6 HydrophobicContact CG2-CZ 4.07Å; I4-N26 WeakPolarHBondContact O-CA 3.36Å; I4-I27 HydrophobicContact CB-CB 4.13Å; I4-I27 HydrophobicContact CD1-CB 4.45Å; I4-I27 HydrophobicContact CD1-CD1 4.48Å; I4-I27 PolarHBondContact N-O 3.32Å; I4-I27 VanDerWaalsContact N-O 3.16Å; I4-I27 PolarHBondContact O-N 3.12Å; I4-V50 HydrophobicContact CD1-CG1 4.16Å; I4-V50 HydrophobicContact CG2-CG1 3.99Å; I4-V50 HydrophobicContact CG2-CG2 4.28Å; I4-F62 WeakPolarHBondContact CA-O 3.46Å; I4-I63 HydrophobicContact CB-CD1 4.46Å; I4-I63 HydrophobicContact CG1-CD1 4.22Å; I4-I63 HydrophobicContact CG2-CD1 3.96Å; I4-I168 HydrophobicContact CD1-CD1 4.13Å; I4-I168 HydrophobicContact CD1-CG1 4.37Å; I4-I168 HydrophobicContact CD1-CG2 3.77Å; I4-I168 HydrophobicContact CG1-CD1 3.77Å; I4-I168 HydrophobicContact CG1-CG1 4.42Å
5E97.7Very high93.3Very high50 Ų5060.5 Ų60.523%0.23432%0.321CS..EExtended strand (participates in β ladder)trans-123.2127.8-178.4164.3176.3-135.700110K7 N26 I61 F62E5-K7 VanDerWaalsContact CD-NZ 3.28Å; E5-K7 HydrophobicContact CG-CG 4.06Å; E5-K7 WeakPolarHBondContact OE1-CE 3.47Å; E5-K7 IonicContact OE1-NZ 3.38Å; E5-K7 PolarHBondContact OE1-NZ 3.4Å; E5-K7 WeakPolarHBondContact OE2-CE 3.41Å; E5-K7 IonicContact OE2-NZ 2.72Å; E5-K7 PolarHBondContact OE2-NZ 3.02Å; E5-N26 WeakPolarHBondContact CB-OD1 3.3Å; E5-N26 VanDerWaalsContact CG-OD1 3.24Å; E5-N26 WeakPolarHBondContact CG-OD1 3.22Å; E5-I61 CarbonylContact O-C 3.58Å; E5-I61 WeakPolarHBondContact O-CA 3.41Å; E5-F62 HydrophobicContact CB-CB 4.19Å; E5-F62 HydrophobicContact CG-CD2 4.25Å; E5-F62 PolarHBondContact N-O 3.38Å; E5-F62 PolarHBondContact O-N 3.1Å
6F97.8Very high93Very high3 Ų359.9 Ų59.91%0.01333%0.334CS..EExtended strand (participates in β ladder)trans-106.8124175.1-60.6-104.6000108.6I4 V9 I23 N24 L25 L46 V50 I61I4-F6 HydrophobicContact CG2-CD2 4.17Å; I4-F6 HydrophobicContact CG2-CE2 3.55Å; I4-F6 HydrophobicContact CG2-CZ 4.07Å; F6-V9 HydrophobicContact CB-CB 4.48Å; F6-V9 HydrophobicContact CB-CG2 3.95Å; F6-V9 HydrophobicContact CD1-CB 4.36Å; F6-V9 HydrophobicContact CD1-CG1 4.46Å; F6-V9 HydrophobicContact CD1-CG2 4.09Å; F6-I23 HydrophobicContact CB-CG2 4.25Å; F6-I23 HydrophobicContact CD1-CG2 4.5Å; F6-I23 HydrophobicContact CG-CG2 4.42Å; F6-N24 WeakPolarHBondContact O-CA 3.46Å; F6-L25 HydrophobicContact CB-CB 4.25Å; F6-L25 HydrophobicContact CD2-CB 3.82Å; F6-L25 HydrophobicContact CD2-CD2 4.02Å; F6-L25 HydrophobicContact CD2-CG 4.15Å; F6-L25 WeakPolarHBondContact CD2-O 3.34Å; F6-L25 HydrophobicContact CE2-CB 4.5Å; F6-L25 HydrophobicContact CE2-CD2 3.85Å; F6-L25 HydrophobicContact CE2-CG 4.4Å; F6-L25 HydrophobicContact CG-CB 4.3Å; F6-L25 PolarHBondContact N-O 2.99Å; F6-L25 PolarHBondContact O-N 3.33Å; F6-L46 HydrophobicContact CD1-CD1 3.85Å; F6-L46 HydrophobicContact CE1-CD1 3.35Å; F6-L46 HydrophobicContact CE1-CG 4.18Å; F6-L46 HydrophobicContact CZ-CD1 3.83Å; F6-L46 HydrophobicContact CZ-CG 4.24Å; F6-V50 HydrophobicContact CE1-CG2 3.88Å; F6-V50 HydrophobicContact CE2-CG2 4.31Å; F6-V50 HydrophobicContact CZ-CG2 3.35Å; F6-I61 HydrophobicContact CD1-CD1 4.02Å; F6-I61 HydrophobicContact CD1-CG1 3.82Å; F6-I61 HydrophobicContact CE1-CD1 3.98Å; F6-I61 HydrophobicContact CE1-CG1 4.22Å
7K97.4Very high92.9Very high81 Ų8162.2 Ų62.235%0.35234%0.341SS..EExtended strand (participates in β ladder)trans-117.1109.3176-61.6-168.4-174.6171.70110.9E5 V9 G59 E60 F62E5-K7 VanDerWaalsContact CD-NZ 3.28Å; E5-K7 HydrophobicContact CG-CG 4.06Å; E5-K7 WeakPolarHBondContact OE1-CE 3.47Å; E5-K7 IonicContact OE1-NZ 3.38Å; E5-K7 PolarHBondContact OE1-NZ 3.4Å; E5-K7 WeakPolarHBondContact OE2-CE 3.41Å; E5-K7 IonicContact OE2-NZ 2.72Å; E5-K7 PolarHBondContact OE2-NZ 3.02Å; K7-V9 PolarHBondContact O-N 3.42Å; K7-V9 VanDerWaalsContact O-N 3.17Å; K7-G59 CarbonylContact O-C 3.58Å; K7-G59 WeakPolarHBondContact O-CA 3.46Å; K7-E60 PolarHBondContact N-O 3.06Å; K7-E60 PolarHBondContact O-N 2.86Å; K7-F62 HydrophobicContact CD-CD2 4.28Å; K7-F62 HydrophobicContact CD-CE2 3.67Å; K7-F62 HydrophobicContact CD-CZ 4.46Å; K7-F62 HydrophobicContact CG-CD2 4.37Å; K7-F62 HydrophobicContact CG-CE2 4.05Å
8N97.4Very high92.9Very high84 Ų8461.8 Ų61.845%0.44934%0.341SS..EExtended strand (participates in β ladder)trans49.838.8177.3-55.5-47000113.4S10 N22 I23 N24 G59N8-S10 PolarHBondContact O-N 3.42Å; N8-N22 VanDerWaalsContact CA-OD1 3.24Å; N8-N22 WeakPolarHBondContact CA-OD1 2.96Å; N8-N22 VanDerWaalsContact CB-OD1 3.27Å; N8-N22 WeakPolarHBondContact CB-OD1 3.41Å; N8-N22 PolarHBondContact OD1-OD1 3.03Å; N8-I23 PolarHBondContact N-O 3.41Å; N8-N24 PolarHBondContact N-OD1 3.21Å; N8-N24 PolarHBondContact OD1-ND2 3.12Å; N8-N24 PolarHBondContact OD1-OD1 3.01Å; N8-G59 WeakPolarHBondContact O-CA 3.5Å
9V97.3Very high92.9Very high0 Ų058.7 Ų58.70%032%0.324CS..EExtended strand (participates in β ladder)trans-74123.3-171.1170.70000110.2F6 K7 L20 N22 I23 I56 S58 E60 I61F6-V9 HydrophobicContact CB-CB 4.48Å; F6-V9 HydrophobicContact CB-CG2 3.95Å; F6-V9 HydrophobicContact CD1-CB 4.36Å; F6-V9 HydrophobicContact CD1-CG1 4.46Å; F6-V9 HydrophobicContact CD1-CG2 4.09Å; K7-V9 PolarHBondContact O-N 3.42Å; K7-V9 VanDerWaalsContact O-N 3.17Å; V9-L20 HydrophobicContact CG1-CD1 4.25Å; V9-N22 PolarHBondContact O-N 2.96Å; V9-I23 HydrophobicContact CB-CB 4.23Å; V9-I23 PolarHBondContact N-O 2.78Å; V9-I23 PolarHBondContact O-N 2.83Å; V9-I56 HydrophobicContact CG1-CB 4.23Å; V9-I56 HydrophobicContact CG1-CD1 4.35Å; V9-I56 HydrophobicContact CG1-CG2 3.67Å; V9-I56 HydrophobicContact CG2-CD1 4.25Å; V9-S58 WeakPolarHBondContact CA-O 3.47Å; V9-E60 WeakPolarHBondContact CG2-O 3.47Å; V9-I61 HydrophobicContact CG1-CD1 4.36Å; V9-I61 HydrophobicContact CG1-CG1 4.47Å; V9-I61 HydrophobicContact CG2-CD1 4.42Å; V9-I61 HydrophobicContact CG2-CG1 3.66Å
10S97.2Very high93.1Very high23 Ų2355.8 Ų55.816%0.16131%0.308CS..EExtended strand (participates in β ladder)trans-130.5149174.3-49.20000111.2N8 L20 N22 T57 S58N8-S10 PolarHBondContact O-N 3.42Å; S10-L20 CarbonylContact C-O 3.57Å; S10-L20 VanDerWaalsContact CA-O 3.3Å; S10-L20 WeakPolarHBondContact CA-O 3.2Å; S10-L20 WeakPolarHBondContact CB-O 3.4Å; S10-N22 PolarHBondContact OG-N 3.44Å; S10-T57 WeakPolarHBondContact O-CB 3.3Å; S10-T57 PolarHBondContact O-N 3.28Å; S10-S58 WeakPolarHBondContact CB-OG 3.25Å; S10-S58 PolarHBondContact N-O 3.08Å; S10-S58 PolarHBondContact O-N 3.22Å
11K96.3Very high93.2Very high30 Ų3056.6 Ų56.613%0.1331%0.309CS..EExtended strand (participates in β ladder)trans-136.1120.3177.5177.254.4170.9-177.30110Y13 V18 G19 L20 T45 D55K11-Y13 HydrophobicContact CG-CD2 4.47Å; K11-Y13 HydrophobicContact CG-CE2 4.16Å; K11-V18 CarbonylContact O-C 3.57Å; K11-G19 PolarHBondContact O-N 2.78Å; K11-L20 HydrophobicContact CB-CB 4Å; K11-L20 HydrophobicContact CB-CD1 4.19Å; K11-L20 HydrophobicContact CB-CG 4.18Å; K11-L20 PolarHBondContact N-O 3.34Å; K11-L20 PolarHBondContact O-N 2.67Å; K11-T45 HydrophobicContact CB-CG2 4.06Å; K11-T45 HydrophobicContact CG-CG2 3.73Å; K11-D55 WeakPolarHBondContact CD-O 3.35Å; K11-D55 WeakPolarHBondContact CE-O 3.11Å; K11-D55 PolarHBondContact NZ-O 2.88Å
12V95.2Very high94.6Very high60 Ų6051 Ų5136%0.36428%0.283SS..EExtended strand (participates in β ladder)trans-113.3128.7169.3-172.50000108.1V18 T57V12-V18 HydrophobicContact CG2-CG1 4.45Å; V12-V18 HydrophobicContact CG2-CG2 4.36Å; V12-T57 HydrophobicContact CB-CG2 4.43Å; V12-T57 HydrophobicContact CG2-CG2 4.42Å; V12-T57 PolarHBondContact N-OG1 3.02Å; V12-T57 PolarHBondContact O-OG1 3.21Å
13Y93.3Very high95.1Very high57 Ų5749.8 Ų49.822%0.22427%0.274CS..  trans-83.4158.7175-74.4-82.8000110.8K11 N15 G16 H17 T45K11-Y13 HydrophobicContact CG-CD2 4.47Å; K11-Y13 HydrophobicContact CG-CE2 4.16Å; Y13-N15 WeakPolarHBondContact CB-OD1 3.49Å; Y13-N15 PolarHBondContact O-N 3.14Å; Y13-G16 PolarHBondContact O-N 3.36Å; Y13-H17 PolarHBondContact N-O 2.93Å; Y13-T45 HydrophobicContact CE2-CG2 4.23Å; Y13-T45 WeakPolarHBondContact OH-CG2 3.4Å; Y13-T45 PolarHBondContact OH-OG1 3.41Å
14P90.4Very high95.2Very high138 Ų13853.3 Ų53.390%0.89629%0.293SS*.THydrogen-bonded Turntrans-57.9-23.4-178.6-26.735.6000114.9G16P14-G16 PolarHBondContact O-N 2.88Å
15N91.1Very high95.1Very high130 Ų13053.5 Ų53.570%0.69529%0.294SS*.THydrogen-bonded Turntrans-79.86.3174.765.5-9.6000113.7Y13 H17Y13-N15 WeakPolarHBondContact CB-OD1 3.49Å; Y13-N15 PolarHBondContact O-N 3.14Å; N15-H17 PolarHBondContact O-N 3.14Å; N15-H17 VanDerWaalsContact OD1-CB 3.24Å; N15-H17 WeakPolarHBondContact OD1-CB 3.35Å; N15-H17 PolarHBondContact OD1-N 3.29Å
16G89Confident95.1Very high52 Ų5254.3 Ų54.354%0.53630%0.3SS..SBendtrans80.4-4.5-176.900000114.5Y13 P14 V18Y13-G16 PolarHBondContact O-N 3.36Å; P14-G16 PolarHBondContact O-N 2.88Å; G16-V18 PolarHBondContact O-N 3.01Å
17H91.5Very high95Very high98 Ų9854.1 Ų54.145%0.45430%0.299SS..  trans-68126.6177.5179.869000110.5Y13 N15 G19Y13-H17 PolarHBondContact N-O 2.93Å; N15-H17 PolarHBondContact O-N 3.14Å; N15-H17 VanDerWaalsContact OD1-CB 3.24Å; N15-H17 WeakPolarHBondContact OD1-CB 3.35Å; N15-H17 PolarHBondContact OD1-N 3.29Å; H17-G19 PolarHBondContact O-N 2.77Å
18V92.4Very high95Very high56 Ų5653.5 Ų53.534%0.33930%0.298SS..EExtended strand (participates in β ladder)trans-88.4103.2178-170.50000108.8K11 V12 G16 L20 K21K11-V18 CarbonylContact O-C 3.57Å; V12-V18 HydrophobicContact CG2-CG1 4.45Å; V12-V18 HydrophobicContact CG2-CG2 4.36Å; G16-V18 PolarHBondContact O-N 3.01Å; V18-L20 WeakPolarHBondContact CG1-O 3.47Å; V18-K21 HydrophobicContact CB-CG 4.47Å; V18-K21 HydrophobicContact CG1-CD 4.18Å; V18-K21 HydrophobicContact CG1-CG 3.37Å
19G92.7Very high95Very high2 Ų256 Ų562%0.02131%0.305CS..EExtended strand (participates in β ladder)trans-81.9-26.6-179.200000114.2K11 H17 G42K11-G19 PolarHBondContact O-N 2.78Å; H17-G19 PolarHBondContact O-N 2.77Å; G19-G42 WeakPolarHBondContact O-CA 3.47Å
20L96.9Very high94.9Very high0 Ų057.3 Ų57.30%032%0.318CS..EExtended strand (participates in β ladder)trans-147.3142.6175.7-61173.3000110.1V9 S10 K11 V18 I23 T45 L46 L221 G224V9-L20 HydrophobicContact CG1-CD1 4.25Å; S10-L20 CarbonylContact C-O 3.57Å; S10-L20 VanDerWaalsContact CA-O 3.3Å; S10-L20 WeakPolarHBondContact CA-O 3.2Å; S10-L20 WeakPolarHBondContact CB-O 3.4Å; K11-L20 HydrophobicContact CB-CB 4Å; K11-L20 HydrophobicContact CB-CD1 4.19Å; K11-L20 HydrophobicContact CB-CG 4.18Å; K11-L20 PolarHBondContact N-O 3.34Å; K11-L20 PolarHBondContact O-N 2.67Å; V18-L20 WeakPolarHBondContact CG1-O 3.47Å; L20-I23 HydrophobicContact CB-CG1 4.16Å; L20-I23 HydrophobicContact CD2-CG1 4.22Å; L20-T45 HydrophobicContact CD1-CG2 3.9Å; L20-T45 HydrophobicContact CG-CG2 3.91Å; L20-L46 HydrophobicContact CD1-CB 4.39Å; L20-L46 HydrophobicContact CD1-CD1 4.17Å; L20-L46 HydrophobicContact CD2-CB 3.89Å; L20-L46 HydrophobicContact CD2-CD1 4.28Å; L20-L221 HydrophobicContact CD2-CD2 4.03Å; L20-G224 CarbonylContact C-O 3.53Å; L20-G224 WeakPolarHBondContact CA-O 3.14Å
21K96.3Very high94.9Very high74 Ų7458.1 Ų58.132%0.32232%0.319SS..EExtended strand (participates in β ladder)trans-131.2111-177.8-67.4175.4-169.8155.90110.6V18 I23 D223 G224 E225V18-K21 HydrophobicContact CB-CG 4.47Å; V18-K21 HydrophobicContact CG1-CD 4.18Å; V18-K21 HydrophobicContact CG1-CG 3.37Å; K21-I23 VanDerWaalsContact C-N 3.26Å; K21-I23 PolarHBondContact O-N 3.36Å; K21-I23 VanDerWaalsContact O-N 3.11Å; K21-D223 WeakPolarHBondContact CE-O 3.41Å; K21-D223 PolarHBondContact NZ-O 3.19Å; K21-G224 PolarHBondContact N-O 3.4Å; K21-E225 HydrophobicContact CB-CG 3.64Å; K21-E225 HydrophobicContact CD-CG 3.94Å; K21-E225 WeakPolarHBondContact CD-OE1 3.27Å; K21-E225 HydrophobicContact CG-CG 4.39Å; K21-E225 IonicContact NZ-OE1 3.23Å
22N96.3Very high94.9Very high97 Ų9756.8 Ų56.852%0.51931%0.313SS..EExtended strand (participates in β ladder)trans46.543.9171.2-162.535.7000115.2N8 V9 S10 N24N8-N22 VanDerWaalsContact CA-OD1 3.24Å; N8-N22 WeakPolarHBondContact CA-OD1 2.96Å; N8-N22 VanDerWaalsContact CB-OD1 3.27Å; N8-N22 WeakPolarHBondContact CB-OD1 3.41Å; N8-N22 PolarHBondContact OD1-OD1 3.03Å; V9-N22 PolarHBondContact O-N 2.96Å; S10-N22 PolarHBondContact OG-N 3.44Å; N22-N24 PolarHBondContact O-N 2.95Å; N22-N24 PolarHBondContact O-ND2 3Å; N22-N24 VanDerWaalsContact O-ND2 3.1Å
23I97.3Very high95Very high2 Ų253.9 Ų53.91%0.0130%0.296CS..EExtended strand (participates in β ladder)trans-68.1123-179.2-56.7-54.3000109.8F6 N8 V9 L20 K21 L25 L46 G224 V226F6-I23 HydrophobicContact CB-CG2 4.25Å; F6-I23 HydrophobicContact CD1-CG2 4.5Å; F6-I23 HydrophobicContact CG-CG2 4.42Å; N8-I23 PolarHBondContact N-O 3.41Å; V9-I23 HydrophobicContact CB-CB 4.23Å; V9-I23 PolarHBondContact N-O 2.78Å; V9-I23 PolarHBondContact O-N 2.83Å; L20-I23 HydrophobicContact CB-CG1 4.16Å; L20-I23 HydrophobicContact CD2-CG1 4.22Å; K21-I23 VanDerWaalsContact C-N 3.26Å; K21-I23 PolarHBondContact O-N 3.36Å; K21-I23 VanDerWaalsContact O-N 3.11Å; I23-L25 HydrophobicContact CG2-CB 4.13Å; I23-L46 HydrophobicContact CG1-CD1 4.45Å; I23-L46 HydrophobicContact CG2-CD1 3.98Å; I23-G224 WeakPolarHBondContact CD1-O 3.35Å; I23-V226 HydrophobicContact CD1-CG2 3.89Å; I23-V226 HydrophobicContact CG2-CG2 4.15Å
24N97.2Very high95.2Very high82 Ų8251.2 Ų51.244%0.43929%0.285SS..EExtended strand (participates in β ladder)trans-122.8111.9170.6-72.3-79.3000107.6F6 N8 N22F6-N24 WeakPolarHBondContact O-CA 3.46Å; N8-N24 PolarHBondContact N-OD1 3.21Å; N8-N24 PolarHBondContact OD1-ND2 3.12Å; N8-N24 PolarHBondContact OD1-OD1 3.01Å; N22-N24 PolarHBondContact O-N 2.95Å; N22-N24 PolarHBondContact O-ND2 3Å; N22-N24 VanDerWaalsContact O-ND2 3.1Å
25L96.8Very high95.5Very high4 Ų444.6 Ų44.62%0.02124%0.242CC..EExtended strand (participates in β ladder)trans-152.4140.5-171176.170000109.1F6 I23 I27 I219 D229F6-L25 HydrophobicContact CB-CB 4.25Å; F6-L25 HydrophobicContact CD2-CB 3.82Å; F6-L25 HydrophobicContact CD2-CD2 4.02Å; F6-L25 HydrophobicContact CD2-CG 4.15Å; F6-L25 WeakPolarHBondContact CD2-O 3.34Å; F6-L25 HydrophobicContact CE2-CB 4.5Å; F6-L25 HydrophobicContact CE2-CD2 3.85Å; F6-L25 HydrophobicContact CE2-CG 4.4Å; F6-L25 HydrophobicContact CG-CB 4.3Å; F6-L25 PolarHBondContact N-O 2.99Å; F6-L25 PolarHBondContact O-N 3.33Å; I23-L25 HydrophobicContact CG2-CB 4.13Å; L25-I27 HydrophobicContact CD2-CD1 4.33Å; L25-I27 HydrophobicContact CD2-CG1 4.29Å; L25-I27 HydrophobicContact CG-CG1 4.32Å; L25-I219 HydrophobicContact CD1-CD1 3.96Å; L25-I219 HydrophobicContact CD1-CG1 4.11Å; L25-I219 HydrophobicContact CD2-CD1 3.72Å; L25-I219 HydrophobicContact CD2-CG2 4.34Å; L25-I219 HydrophobicContact CG-CD1 4.43Å; L25-D229 WeakPolarHBondContact CD1-OD2 3.33Å
26N96.9Very high95.7Very high67 Ų6738.4 Ų38.436%0.35821%0.209SC..EExtended strand (participates in β ladder)trans-127124.4175.5-69.2-32.5000109.1I4 E5 R217I4-N26 WeakPolarHBondContact O-CA 3.36Å; E5-N26 WeakPolarHBondContact CB-OD1 3.3Å; E5-N26 VanDerWaalsContact CG-OD1 3.24Å; E5-N26 WeakPolarHBondContact CG-OD1 3.22Å; N26-R217 PolarHBondContact O-NH1 2.97Å; N26-R217 PolarHBondContact O-NH2 3.2Å
27I97.1Very high95.9Very high0 Ų036 Ų360%019%0.185CC..EExtended strand (participates in β ladder)trans-108.1125.2173.6-52.2-164.5000108.1S2 Q3 I4 L25 E31 A33 T200 L202 I219S2-I27 PolarHBondContact OG-N 2.66Å; S2-I27 PolarHBondContact OG-O 3.33Å; S2-I27 VanDerWaalsContact OG-O 3.07Å; Q3-I27 PolarHBondContact N-O 3.43Å; I4-I27 HydrophobicContact CB-CB 4.13Å; I4-I27 HydrophobicContact CD1-CB 4.45Å; I4-I27 HydrophobicContact CD1-CD1 4.48Å; I4-I27 PolarHBondContact N-O 3.32Å; I4-I27 VanDerWaalsContact N-O 3.16Å; I4-I27 PolarHBondContact O-N 3.12Å; L25-I27 HydrophobicContact CD2-CD1 4.33Å; L25-I27 HydrophobicContact CD2-CG1 4.29Å; L25-I27 HydrophobicContact CG-CG1 4.32Å; I27-E31 WeakPolarHBondContact CA-OE2 3.45Å; I27-E31 HydrophobicContact CG2-CB 4.09Å; I27-E31 WeakPolarHBondContact CG2-OE2 3.29Å; I27-A33 HydrophobicContact CD1-CB 4.17Å; I27-A33 HydrophobicContact CG2-CB 4.33Å; I27-T200 HydrophobicContact CG2-CG2 3.66Å; I27-L202 HydrophobicContact CD1-CB 4.31Å; I27-L202 HydrophobicContact CD1-CD1 3.49Å; I27-L202 VanDerWaalsContact CD1-CD1 3.49Å; I27-L202 HydrophobicContact CD1-CD2 3.77Å; I27-L202 HydrophobicContact CD1-CG 4.04Å; I27-I219 HydrophobicContact CD1-CD1 4.2Å
28E96.7Very high95.7Very high68 Ų6834.3 Ų34.332%0.31818%0.178SC..  trans-85.6159.4-179.4-63.9-62.913200111.4M1 S2 G30 E31M1-E28 PolarHBondContact N-OE2 3.21Å; S2-E28 WeakPolarHBondContact CA-OE1 3.46Å; S2-E28 WeakPolarHBondContact CB-OE1 3.36Å; S2-E28 PolarHBondContact N-OE1 3.35Å; S2-E28 PolarHBondContact N-OE2 2.88Å; E28-G30 PolarHBondContact O-N 3.15Å; E28-E31 HydrophobicContact CB-CG 4.01Å; E28-E31 PolarHBondContact N-OE2 2.88Å; E28-E31 WeakPolarHBondContact O-CB 3.37Å; E28-E31 PolarHBondContact O-N 3.11Å
29K96.6Very high95.5Very high137 Ų13737.3 Ų37.360%0.59620%0.202SC*.THydrogen-bonded Turntrans-63.9132.8179.1-177.9176.1178.3170.40110.7Q3 E31 T200Q3-K29 HydrophobicContact CB-CB 4.31Å; K29-E31 VanDerWaalsContact C-N 3.31Å; K29-T200 WeakPolarHBondContact CA-OG1 3.23Å
30G96.1Very high95.2Very high26 Ų2640 Ų4027%0.26823%0.23SC..THydrogen-bonded Turntrans83.5-0.1179.500000114.1E28 N194 T200E28-G30 PolarHBondContact O-N 3.15Å; G30-N194 PolarHBondContact O-ND2 3.28Å; G30-T200 PolarHBondContact N-OG1 3.28Å
31E96.6Very high94.9Very high41 Ų4140.2 Ų40.219%0.19223%0.231CC..  trans-68141.7176.2-73.7-173.2157.100111.6I27 E28 K29 T200 I201 R217I27-E31 WeakPolarHBondContact CA-OE2 3.45Å; I27-E31 HydrophobicContact CG2-CB 4.09Å; I27-E31 WeakPolarHBondContact CG2-OE2 3.29Å; E28-E31 HydrophobicContact CB-CG 4.01Å; E28-E31 PolarHBondContact N-OE2 2.88Å; E28-E31 WeakPolarHBondContact O-CB 3.37Å; E28-E31 PolarHBondContact O-N 3.11Å; K29-E31 VanDerWaalsContact C-N 3.31Å; E31-T200 WeakPolarHBondContact O-CA 3.36Å; E31-I201 PolarHBondContact O-N 3.44Å; E31-R217 IonicContact OE1-NH1 2.98Å; E31-R217 PolarHBondContact OE1-NH1 3.29Å; E31-R217 IonicContact OE2-NH1 3.79Å; E31-R217 PolarHBondContact OE2-NH1 3.28Å
32F97.5Very high94.8Very high1 Ų137 Ų370%0.00422%0.219CC..EExtended strand (participates in β ladder)trans-102.587.9163.1-160.9-63.2000107.3V34 M187 L190 N194 I201 I203 Y214 T216 R217F32-V34 HydrophobicContact CD1-CG2 4.12Å; F32-V34 HydrophobicContact CE1-CG2 4.14Å; F32-M187 HydrophobicContact CE1-CE 4.35Å; F32-M187 HydrophobicContact CZ-CE 4.06Å; F32-L190 HydrophobicContact CE2-CB 4.09Å; F32-L190 HydrophobicContact CZ-CB 4.34Å; F32-N194 HydrophobicContact CD2-CB 3.91Å; F32-I201 HydrophobicContact CD2-CB 4.05Å; F32-I201 HydrophobicContact CD2-CD1 3.99Å; F32-I201 HydrophobicContact CD2-CG1 4.39Å; F32-I201 HydrophobicContact CD2-CG2 4.36Å; F32-I201 HydrophobicContact CE1-CG2 4.42Å; F32-I201 HydrophobicContact CE2-CB 4.27Å; F32-I201 HydrophobicContact CE2-CD1 3.79Å; F32-I201 HydrophobicContact CE2-CG2 4.13Å; F32-I201 HydrophobicContact CG-CB 4.29Å; F32-I201 HydrophobicContact CZ-CG2 4.15Å; F32-I203 HydrophobicContact CD1-CG2 4.25Å; F32-I203 HydrophobicContact CE1-CG2 3.62Å; F32-I203 HydrophobicContact CZ-CG2 4.36Å; F32-Y214 WeakPolarHBondContact CD1-O 3.24Å; F32-T216 HydrophobicContact CB-CG2 4.18Å; F32-T216 PolarHBondContact N-OG1 3.06Å; F32-T216 PolarHBondContact O-N 3.48Å; F32-T216 PolarHBondContact O-OG1 3.35Å; F32-R217 PolarHBondContact O-N 2.88Å
33A97.4Very high94.7Very high0 Ų032.8 Ų32.80%020%0.197CC..EExtended strand (participates in β ladder)trans-97.1126.7-175.500000110.7I27 I201 L202 I203 I219I27-A33 HydrophobicContact CD1-CB 4.17Å; I27-A33 HydrophobicContact CG2-CB 4.33Å; A33-I201 PolarHBondContact N-O 3Å; A33-L202 HydrophobicContact CB-CD1 3.94Å; A33-L202 WeakPolarHBondContact O-CA 3.27Å; A33-I203 PolarHBondContact O-N 2.97Å; A33-I219 HydrophobicContact CB-CD1 4.13Å
34V97.3Very high94.4Very high0 Ų034.3 Ų34.30%021%0.207CC..EExtended strand (participates in β ladder)trans-108.8125.4-178.7-173.30000110F32 V36 I203 L205 A211 G215 R217 I218 I219F32-V34 HydrophobicContact CD1-CG2 4.12Å; F32-V34 HydrophobicContact CE1-CG2 4.14Å; V34-V36 HydrophobicContact CG1-CG1 3.87Å; V34-I203 CarbonylContact C-O 3.54Å; V34-I203 WeakPolarHBondContact CA-O 3.46Å; V34-I203 HydrophobicContact CB-CG2 4.24Å; V34-I203 HydrophobicContact CG1-CG2 4.28Å; V34-I203 HydrophobicContact CG2-CG2 3.8Å; V34-L205 HydrophobicContact CG1-CB 3.89Å; V34-L205 HydrophobicContact CG1-CD1 3.7Å; V34-L205 HydrophobicContact CG1-CG 3.85Å; V34-L205 HydrophobicContact CG2-CD1 4.4Å; V34-A211 HydrophobicContact CB-CB 4.44Å; V34-A211 HydrophobicContact CG1-CB 3.75Å; V34-G215 VanDerWaalsContact CG2-CA 3.49Å; V34-R217 PolarHBondContact N-O 3.36Å; V34-I218 HydrophobicContact CB-CD1 3.83Å; V34-I218 HydrophobicContact CG1-CD1 4.48Å; V34-I218 HydrophobicContact CG2-CD1 4.29Å; V34-I218 CarbonylContact O-C 3.56Å; V34-I218 WeakPolarHBondContact O-CA 3.41Å; V34-I219 PolarHBondContact O-N 3.13Å
35I96.7Very high94.3Very high0 Ų031.1 Ų31.10%019%0.191CC..EExtended strand (participates in β ladder)trans-92.6127.5171-63.4161.2000109.1K43 L46 L202 I203 N204 L205 I219 L221I35-K43 HydrophobicContact CG2-CB 3.86Å; I35-K43 HydrophobicContact CG2-CD 4.08Å; I35-K43 HydrophobicContact CG2-CG 3.75Å; I35-L46 HydrophobicContact CD1-CD2 3.85Å; I35-L46 HydrophobicContact CD1-CG 4.43Å; I35-L46 HydrophobicContact CG1-CD2 4.43Å; I35-L202 HydrophobicContact CD1-CD1 3.48Å; I35-L202 VanDerWaalsContact CD1-CD1 3.48Å; I35-L202 HydrophobicContact CD1-CD2 3.96Å; I35-L202 HydrophobicContact CD1-CG 3.76Å; I35-L202 HydrophobicContact CG1-CD1 3.69Å; I35-L202 HydrophobicContact CG1-CG 4.48Å; I35-I203 PolarHBondContact N-O 3.21Å; I35-N204 VanDerWaalsContact CB-OD1 3.25Å; I35-N204 WeakPolarHBondContact CB-OD1 3.43Å; I35-N204 WeakPolarHBondContact CD1-OD1 3.27Å; I35-L205 PolarHBondContact O-N 2.97Å; I35-L205 VanDerWaalsContact O-N 3.14Å; I35-I219 VanDerWaalsContact CA-O 3.31Å; I35-I219 WeakPolarHBondContact CA-O 3.47Å; I35-I219 HydrophobicContact CG1-CB 4.18Å; I35-I219 HydrophobicContact CG1-CD1 4.28Å; I35-I219 HydrophobicContact CG1-CG2 4.47Å; I35-L221 HydrophobicContact CG2-CD1 3.54Å
36V94.4Very high94.3Very high0 Ų031 Ų310%019%0.19CC..EExtended strand (participates in β ladder)trans-128.6159.5179.2-61.30000110.7V34 A211 I218 I219 L221 F240 I243V34-V36 HydrophobicContact CG1-CG1 3.87Å; V36-A211 HydrophobicContact CG1-CB 3.76Å; V36-I218 HydrophobicContact CG1-CG2 4.49Å; V36-I218 HydrophobicContact CG2-CG2 3.49Å; V36-I218 VanDerWaalsContact CG2-CG2 3.49Å; V36-I219 PolarHBondContact N-O 3.26Å; V36-L221 PolarHBondContact O-N 3.31Å; V36-F240 HydrophobicContact CB-CE1 4.23Å; V36-F240 HydrophobicContact CG1-CE1 4.09Å; V36-F240 HydrophobicContact CG2-CD1 4.33Å; V36-F240 HydrophobicContact CG2-CE1 3.86Å; V36-I243 HydrophobicContact CG2-CD1 3.97Å; V36-I243 HydrophobicContact CG2-CG2 4.31Å
37G92.4Very high94.2Very high2 Ų227.8 Ų27.82%0.02117%0.173CC..  trans148.2166.9-177.600000112.7K43 L221 Y244G37-K43 PolarHBondContact O-NZ 3.49Å; G37-L221 WeakPolarHBondContact CA-O 3.4Å; G37-Y244 VanDerWaalsContact C-CE1 3.44Å
38L88.6Confident94.1Very high61 Ų6131.6 Ų31.632%0.31919%0.187SC..  trans-61.5160.7-179.6-71.8176.8000112.7G40 A41 K43 Y244L38-G40 PolarHBondContact O-N 2.95Å; L38-A41 WeakPolarHBondContact O-CB 3.33Å; L38-A41 PolarHBondContact O-N 2.86Å; L38-A41 VanDerWaalsContact O-N 3.1Å; L38-K43 PolarHBondContact O-NZ 3.18Å; L38-Y244 VanDerWaalsContact CD1-O 3.27Å; L38-Y244 WeakPolarHBondContact CD1-O 3.46Å; L38-Y244 HydrophobicContact CD2-CD1 3.71Å; L38-Y244 HydrophobicContact CD2-CG 4.44Å; L38-Y244 HydrophobicContact CG-CD1 3.91Å
39S86.8Confident94Very high120 Ų12028.4 Ų28.484%0.83917%0.173SC*.THydrogen-bonded Turntrans-56.7134.3166.8-1710000109.7A41S39-A41 VanDerWaalsContact C-N 3.33Å; S39-A41 PolarHBondContact O-N 3.25Å
40G87.4Confident94Very high58 Ų5821.9 Ų21.960%0.59814%0.144SC*.THydrogen-bonded Turntrans82.5-3.9-174.900000115.9L38 G42L38-G40 PolarHBondContact O-N 2.95Å; G40-G42 PolarHBondContact O-N 2.72Å
41A91.5Very high93.9Very high4 Ų421.3 Ų21.33%0.03314%0.135CC..SBendtrans-67.2-8.1-179.200000115.4L38 S39 L221 G224L38-A41 WeakPolarHBondContact O-CB 3.33Å; L38-A41 PolarHBondContact O-N 2.86Å; L38-A41 VanDerWaalsContact O-N 3.1Å; S39-A41 VanDerWaalsContact C-N 3.33Å; S39-A41 PolarHBondContact O-N 3.25Å; A41-L221 HydrophobicContact CB-CB 4.31Å; A41-L221 WeakPolarHBondContact CB-O 3.37Å; A41-G224 WeakPolarHBondContact O-CA 3.24Å; A41-G224 PolarHBondContact O-N 2.98Å
42G92.8Very high93.7Very high7 Ų721.3 Ų21.37%0.07213%0.133CC..SBendtrans105.70.1179.900000115.5G19 G40 S44 T45 L46G19-G42 WeakPolarHBondContact O-CA 3.47Å; G40-G42 PolarHBondContact O-N 2.72Å; G42-S44 PolarHBondContact O-N 3.24Å; G42-T45 CarbonylContact O-C 3.57Å; G42-T45 WeakPolarHBondContact O-CA 3.43Å; G42-T45 VanDerWaalsContact O-CB 3.31Å; G42-T45 WeakPolarHBondContact O-CB 3.47Å; G42-T45 PolarHBondContact O-N 3.25Å; G42-L46 PolarHBondContact O-N 3.1Å
43K94.1Very high93.4Very high9 Ų925.1 Ų25.14%0.03915%0.153CC..Hα-helixtrans-50.4-56.8-176.1-51.5-171.9-62.7-81.40114.2I35 G37 L38 T45 L46 L47 N204I35-K43 HydrophobicContact CG2-CB 3.86Å; I35-K43 HydrophobicContact CG2-CD 4.08Å; I35-K43 HydrophobicContact CG2-CG 3.75Å; G37-K43 PolarHBondContact O-NZ 3.49Å; L38-K43 PolarHBondContact O-NZ 3.18Å; K43-T45 VanDerWaalsContact C-N 3.28Å; K43-T45 PolarHBondContact O-N 3.3Å; K43-L46 WeakPolarHBondContact O-CB 3.26Å; K43-L46 PolarHBondContact O-N 3.42Å; K43-L47 PolarHBondContact O-N 3.35Å; K43-N204 VanDerWaalsContact C-ND2 3.27Å; K43-N204 PolarHBondContact O-ND2 2.71Å
44S92.4Very high93.1Very high34 Ų3427.6 Ų27.624%0.23817%0.165CC..Hα-helixtrans-66.5-32.1179.2-53.40000112G42 R48 D172 N204G42-S44 PolarHBondContact O-N 3.24Å; S44-R48 WeakPolarHBondContact O-CB 3.29Å; S44-R48 WeakPolarHBondContact O-CD 3.45Å; S44-R48 WeakPolarHBondContact O-CG 3.35Å; S44-R48 PolarHBondContact O-N 3.27Å; S44-D172 WeakPolarHBondContact CB-OD1 3.18Å; S44-D172 PolarHBondContact OG-OD1 2.91Å; S44-D172 PolarHBondContact OG-OD2 3.17Å; S44-N204 PolarHBondContact N-ND2 3.46Å
45T94.5Very high92.9Very high15 Ų1531.8 Ų31.89%0.09219%0.187CC..Hα-helixtrans-63.5-47173.8-54.80000110.7K11 Y13 L20 G42 K43 S49K11-T45 HydrophobicContact CB-CG2 4.06Å; K11-T45 HydrophobicContact CG-CG2 3.73Å; Y13-T45 HydrophobicContact CE2-CG2 4.23Å; Y13-T45 WeakPolarHBondContact OH-CG2 3.4Å; Y13-T45 PolarHBondContact OH-OG1 3.41Å; L20-T45 HydrophobicContact CD1-CG2 3.9Å; L20-T45 HydrophobicContact CG-CG2 3.91Å; G42-T45 CarbonylContact O-C 3.57Å; G42-T45 WeakPolarHBondContact O-CA 3.43Å; G42-T45 VanDerWaalsContact O-CB 3.31Å; G42-T45 WeakPolarHBondContact O-CB 3.47Å; G42-T45 PolarHBondContact O-N 3.25Å; K43-T45 VanDerWaalsContact C-N 3.28Å; K43-T45 PolarHBondContact O-N 3.3Å; T45-S49 WeakPolarHBondContact O-CB 3.16Å; T45-S49 PolarHBondContact O-N 3.21Å; T45-S49 PolarHBondContact O-OG 3.29Å
46L95.8Very high92.8Very high0 Ų033 Ų330%019%0.193CC..Hα-helixtrans-58.3-55.5177.5-175.864.4000110.7F6 L20 I23 I35 G42 K43 R48 S49 V50 L221F6-L46 HydrophobicContact CD1-CD1 3.85Å; F6-L46 HydrophobicContact CE1-CD1 3.35Å; F6-L46 HydrophobicContact CE1-CG 4.18Å; F6-L46 HydrophobicContact CZ-CD1 3.83Å; F6-L46 HydrophobicContact CZ-CG 4.24Å; L20-L46 HydrophobicContact CD1-CB 4.39Å; L20-L46 HydrophobicContact CD1-CD1 4.17Å; L20-L46 HydrophobicContact CD2-CB 3.89Å; L20-L46 HydrophobicContact CD2-CD1 4.28Å; I23-L46 HydrophobicContact CG1-CD1 4.45Å; I23-L46 HydrophobicContact CG2-CD1 3.98Å; I35-L46 HydrophobicContact CD1-CD2 3.85Å; I35-L46 HydrophobicContact CD1-CG 4.43Å; I35-L46 HydrophobicContact CG1-CD2 4.43Å; G42-L46 PolarHBondContact O-N 3.1Å; K43-L46 WeakPolarHBondContact O-CB 3.26Å; K43-L46 PolarHBondContact O-N 3.42Å; L46-R48 PolarHBondContact O-N 3.05Å; L46-S49 WeakPolarHBondContact O-CB 3.21Å; L46-S49 PolarHBondContact O-N 3.17Å; L46-S49 VanDerWaalsContact O-N 3.12Å; L46-V50 PolarHBondContact O-N 3.21Å; L46-L221 HydrophobicContact CD2-CD1 3.62Å; L46-L221 HydrophobicContact CD2-CD2 4.25Å
47L95.5Very high92.9Very high0 Ų036.8 Ų36.80%022%0.217CC..Hα-helixtrans-61.5-43.5-176.8-171.6139.9000112K43 S49 V50 M85 L170 A171 D172 L202 N204K43-L47 PolarHBondContact O-N 3.35Å; L47-S49 VanDerWaalsContact C-N 3.31Å; L47-S49 PolarHBondContact O-N 3.23Å; L47-V50 WeakPolarHBondContact O-CB 3.32Å; L47-V50 PolarHBondContact O-N 2.84Å; L47-M85 HydrophobicContact CD2-CE 4.26Å; L47-M85 HydrophobicContact CD2-SD 4.24Å; L47-L170 HydrophobicContact CD2-CB 3.83Å; L47-L170 HydrophobicContact CG-CB 4.06Å; L47-A171 WeakPolarHBondContact CD1-O 3.43Å; L47-D172 HydrophobicContact CD2-CB 3.89Å; L47-L202 HydrophobicContact CD1-CG 4.31Å; L47-L202 WeakPolarHBondContact CD1-O 3.24Å; L47-N204 HydrophobicContact CD1-CB 4.43Å; L47-N204 WeakPolarHBondContact CD1-OD1 3.33Å
48R94.4Very high93.1Very high80 Ų8039.4 Ų39.430%0.30224%0.235SC..Hα-helixtrans-72.5-21.6177.6-69.1173-170.5-179.83.7113.8S44 L46 V50 R52 L53 H54 M85 D172S44-R48 WeakPolarHBondContact O-CB 3.29Å; S44-R48 WeakPolarHBondContact O-CD 3.45Å; S44-R48 WeakPolarHBondContact O-CG 3.35Å; S44-R48 PolarHBondContact O-N 3.27Å; L46-R48 PolarHBondContact O-N 3.05Å; R48-V50 VanDerWaalsContact C-N 3.3Å; R48-R52 PolarHBondContact O-N 3.08Å; R48-L53 HydrophobicContact CB-CB 4.15Å; R48-L53 PolarHBondContact O-N 3.33Å; R48-H54 PolarHBondContact O-N 2.89Å; R48-M85 HydrophobicContact CG-CE 4.21Å; R48-D172 IonicContact CZ-OD2 3.34Å; R48-D172 VanDerWaalsContact CZ-OD2 3.26Å; R48-D172 IonicContact NE-OD2 3.06Å; R48-D172 PolarHBondContact NE-OD2 2.96Å; R48-D172 IonicContact NH2-OD2 3.26Å; R48-D172 PolarHBondContact NH2-OD2 2.98Å
49S95.7Very high93.5Very high2 Ų238 Ų381%0.01424%0.235CC..Hα-helixtrans-69.5-30.6173.8-60.80000111.6T45 L46 L47 N51 R52 I61T45-S49 WeakPolarHBondContact O-CB 3.16Å; T45-S49 PolarHBondContact O-N 3.21Å; T45-S49 PolarHBondContact O-OG 3.29Å; L46-S49 WeakPolarHBondContact O-CB 3.21Å; L46-S49 PolarHBondContact O-N 3.17Å; L46-S49 VanDerWaalsContact O-N 3.12Å; L47-S49 VanDerWaalsContact C-N 3.31Å; L47-S49 PolarHBondContact O-N 3.23Å; S49-N51 VanDerWaalsContact C-N 3.32Å; S49-N51 PolarHBondContact O-N 3.04Å; S49-R52 PolarHBondContact O-N 2.97Å; S49-I61 WeakPolarHBondContact O-CD1 3.2Å
50V95.8Very high94Very high0 Ų034.8 Ų34.80%021%0.207CC..Hα-helixtrans-58.7-41.5177.4-178.80000112.3I4 F6 L46 L47 R48 R52 I63 I68 L170 L202I4-V50 HydrophobicContact CD1-CG1 4.16Å; I4-V50 HydrophobicContact CG2-CG1 3.99Å; I4-V50 HydrophobicContact CG2-CG2 4.28Å; F6-V50 HydrophobicContact CE1-CG2 3.88Å; F6-V50 HydrophobicContact CE2-CG2 4.31Å; F6-V50 HydrophobicContact CZ-CG2 3.35Å; L46-V50 PolarHBondContact O-N 3.21Å; L47-V50 WeakPolarHBondContact O-CB 3.32Å; L47-V50 PolarHBondContact O-N 2.84Å; R48-V50 VanDerWaalsContact C-N 3.3Å; V50-R52 VanDerWaalsContact C-N 3.32Å; V50-I63 HydrophobicContact CG1-CD1 3.6Å; V50-I68 WeakPolarHBondContact O-CD1 3.27Å; V50-L170 HydrophobicContact CB-CD1 3.74Å; V50-L170 HydrophobicContact CB-CD2 4.29Å; V50-L170 HydrophobicContact CG1-CD1 3.85Å; V50-L170 HydrophobicContact CG1-CD2 4.02Å; V50-L202 HydrophobicContact CG2-CD2 4.22Å
51N93.4Very high94.5Very high14 Ų1432 Ų328%0.07518%0.178CC..THydrogen-bonded Turntrans-92.76.9177.3-157.411.1000113.3S49 L53 R80 I83 M85 L170S49-N51 VanDerWaalsContact C-N 3.32Å; S49-N51 PolarHBondContact O-N 3.04Å; N51-L53 HydrophobicContact CB-CG 4.48Å; N51-L53 PolarHBondContact O-N 3.37Å; N51-R80 PolarHBondContact O-NE 3.31Å; N51-R80 VanDerWaalsContact O-NE 3.14Å; N51-R80 VanDerWaalsContact OD1-CG 3.28Å; N51-R80 WeakPolarHBondContact OD1-CG 3.42Å; N51-I83 HydrophobicContact CB-CG2 4.07Å; N51-M85 HydrophobicContact CB-CE 3.8Å; N51-L170 HydrophobicContact CB-CD1 3.94Å
52R93.6Very high94.8Very high40 Ų4033.5 Ų33.515%0.15118%0.184CC..THydrogen-bonded Turntrans52.440.6-174.4-158.1-173.8175.3-176.58.6112.9R48 S49 V50 H54 D55 I68 T69 A71 H72 L76 R80R48-R52 PolarHBondContact O-N 3.08Å; S49-R52 PolarHBondContact O-N 2.97Å; V50-R52 VanDerWaalsContact C-N 3.32Å; R52-H54 VanDerWaalsContact C-N 3.34Å; R52-D55 WeakPolarHBondContact CG-OD1 3.29Å; R52-D55 IonicContact CZ-OD1 3.62Å; R52-D55 IonicContact NE-OD1 2.97Å; R52-D55 PolarHBondContact NE-OD1 3.07Å; R52-D55 IonicContact NH2-OD1 3.57Å; R52-I68 HydrophobicContact CB-CD1 4.26Å; R52-I68 HydrophobicContact CB-CG1 4.4Å; R52-T69 PolarHBondContact NH2-O 3.37Å; R52-A71 PolarHBondContact NH1-O 3.1Å; R52-H72 PolarHBondContact NH2-CE1 3.3Å; R52-L76 HydrophobicContact CB-CD1 4.4Å; R52-R80 PolarHBondContact O-NH2 3.08Å
53L91Very high95Very high81 Ų8133.4 Ų33.442%0.42418%0.182SC..SBendtrans-78.6-27165.2-68.3-176.7000110.8R48 N51 M85 F87R48-L53 HydrophobicContact CB-CB 4.15Å; R48-L53 PolarHBondContact O-N 3.33Å; N51-L53 HydrophobicContact CB-CG 4.48Å; N51-L53 PolarHBondContact O-N 3.37Å; L53-M85 HydrophobicContact CD1-CE 3.46Å; L53-M85 VanDerWaalsContact CD1-CE 3.46Å; L53-M85 HydrophobicContact CD1-SD 4.25Å; L53-M85 HydrophobicContact CG-CE 4.18Å; L53-F87 HydrophobicContact CD1-CE1 4.16Å; L53-F87 HydrophobicContact CD1-CZ 3.91Å
54H90.4Very high95Very high53 Ų5336.3 Ų36.325%0.24520%0.196CC..SBendtrans-115.9128.3161.6-68.7-54.2000108.8R48 R52R48-H54 PolarHBondContact O-N 2.89Å; R52-H54 VanDerWaalsContact C-N 3.34Å
55D92.9Very high95.1Very high87 Ų8737.5 Ų37.547%0.46521%0.213SC..  trans-70.8139.8168.7-71.3-55.4000109.7K11 R52K11-D55 WeakPolarHBondContact CD-O 3.35Å; K11-D55 WeakPolarHBondContact CE-O 3.11Å; K11-D55 PolarHBondContact NZ-O 2.88Å; R52-D55 WeakPolarHBondContact CG-OD1 3.29Å; R52-D55 IonicContact CZ-OD1 3.62Å; R52-D55 IonicContact NE-OD1 2.97Å; R52-D55 PolarHBondContact NE-OD1 3.07Å; R52-D55 IonicContact NH2-OD1 3.57Å
56I96.1Very high95.1Very high25 Ų2543.4 Ų43.413%0.12824%0.238CC..  trans-78.6155.5171.464.9179000110.1V9 G59 I61 T69V9-I56 HydrophobicContact CG1-CB 4.23Å; V9-I56 HydrophobicContact CG1-CD1 4.35Å; V9-I56 HydrophobicContact CG1-CG2 3.67Å; V9-I56 HydrophobicContact CG2-CD1 4.25Å; I56-G59 WeakPolarHBondContact CD1-O 3.41Å; I56-I61 HydrophobicContact CD1-CG1 4.31Å; I56-I61 HydrophobicContact CG2-CD1 3.85Å; I56-T69 HydrophobicContact CD1-CG2 3.7Å; I56-T69 HydrophobicContact CG1-CG2 3.81Å
57T96.2Very high95.2Very high80 Ų8044.5 Ų44.549%0.49125%0.245SC..SBendtrans-84.9-37.7177.1-58.90000111.4S10 V12S10-T57 WeakPolarHBondContact O-CB 3.3Å; S10-T57 PolarHBondContact O-N 3.28Å; V12-T57 HydrophobicContact CB-CG2 4.43Å; V12-T57 HydrophobicContact CG2-CG2 4.42Å; V12-T57 PolarHBondContact N-OG1 3.02Å; V12-T57 PolarHBondContact O-OG1 3.21Å
58S96.7Very high95.2Very high57 Ų5744.5 Ų44.540%0.39925%0.245SC..EExtended strand (participates in β ladder)trans-151.6166.1176.763.10000110.9V9 S10V9-S58 WeakPolarHBondContact CA-O 3.47Å; S10-S58 WeakPolarHBondContact CB-OG 3.25Å; S10-S58 PolarHBondContact N-O 3.08Å; S10-S58 PolarHBondContact O-N 3.22Å
59G96.9Very high95.3Very high32 Ų3242.3 Ų42.333%0.3324%0.241SC..EExtended strand (participates in β ladder)trans87.1-169.8-174.900000112.9K7 N8 I56K7-G59 CarbonylContact O-C 3.58Å; K7-G59 WeakPolarHBondContact O-CA 3.46Å; N8-G59 WeakPolarHBondContact O-CA 3.5Å; I56-G59 WeakPolarHBondContact CD1-O 3.41Å
60E97.3Very high95.2Very high52 Ų5248.4 Ų48.424%0.24327%0.267CS..EExtended strand (participates in β ladder)trans-140.7144.1179.1-71.2-169.7-13700111.3K7 V9 F62 S67 K70K7-E60 PolarHBondContact N-O 3.06Å; K7-E60 PolarHBondContact O-N 2.86Å; V9-E60 WeakPolarHBondContact CG2-O 3.47Å; E60-F62 HydrophobicContact CB-CD2 4.33Å; E60-F62 HydrophobicContact CB-CE2 3.51Å; E60-F62 HydrophobicContact CB-CZ 3.95Å; E60-F62 VanDerWaalsContact OE2-CZ 3.3Å; E60-F62 WeakPolarHBondContact OE2-CZ 3.14Å; E60-S67 PolarHBondContact OE2-OG 2.79Å; E60-S67 VanDerWaalsContact OE2-OG 3.08Å; E60-K70 VanDerWaalsContact CD-CE 3.46Å; E60-K70 VanDerWaalsContact OE1-CE 3.28Å; E60-K70 WeakPolarHBondContact OE1-CE 3.36Å; E60-K70 IonicContact OE1-NZ 2.98Å; E60-K70 PolarHBondContact OE1-NZ 2.96Å; E60-K70 VanDerWaalsContact OE2-CE 3.31Å; E60-K70 WeakPolarHBondContact OE2-CE 3.46Å; E60-K70 IonicContact OE2-NZ 3.77Å; E60-K70 PolarHBondContact OE2-NZ 3.08Å
61I97.7Very high95.2Very high1 Ų148.9 Ų48.91%0.00527%0.271CS..EExtended strand (participates in β ladder)trans-114.5129.4170.7-60.9170.6000108.1E5 F6 V9 S49 I56 I63 S67 I68 T69E5-I61 CarbonylContact O-C 3.58Å; E5-I61 WeakPolarHBondContact O-CA 3.41Å; F6-I61 HydrophobicContact CD1-CD1 4.02Å; F6-I61 HydrophobicContact CD1-CG1 3.82Å; F6-I61 HydrophobicContact CE1-CD1 3.98Å; F6-I61 HydrophobicContact CE1-CG1 4.22Å; V9-I61 HydrophobicContact CG1-CD1 4.36Å; V9-I61 HydrophobicContact CG1-CG1 4.47Å; V9-I61 HydrophobicContact CG2-CD1 4.42Å; V9-I61 HydrophobicContact CG2-CG1 3.66Å; S49-I61 WeakPolarHBondContact O-CD1 3.2Å; I56-I61 HydrophobicContact CD1-CG1 4.31Å; I56-I61 HydrophobicContact CG2-CD1 3.85Å; I61-I63 HydrophobicContact CG2-CD1 4.16Å; I61-S67 CarbonylContact O-C 3.6Å; I61-S67 WeakPolarHBondContact O-CA 3.38Å; I61-I68 HydrophobicContact CB-CG2 3.84Å; I61-I68 HydrophobicContact CG2-CG2 3.84Å; I61-I68 PolarHBondContact O-N 3.18Å; I61-T69 PolarHBondContact N-OG1 3.16Å
62F97.4Very high95.3Very high34 Ų3454.3 Ų54.315%0.14930%0.296CS..EExtended strand (participates in β ladder)trans-111.4134.7176.8-60.8-98.6000110.1I4 E5 K7 E60 K66I4-F62 WeakPolarHBondContact CA-O 3.46Å; E5-F62 HydrophobicContact CB-CB 4.19Å; E5-F62 HydrophobicContact CG-CD2 4.25Å; E5-F62 PolarHBondContact N-O 3.38Å; E5-F62 PolarHBondContact O-N 3.1Å; K7-F62 HydrophobicContact CD-CD2 4.28Å; K7-F62 HydrophobicContact CD-CE2 3.67Å; K7-F62 HydrophobicContact CD-CZ 4.46Å; K7-F62 HydrophobicContact CG-CD2 4.37Å; K7-F62 HydrophobicContact CG-CE2 4.05Å; E60-F62 HydrophobicContact CB-CD2 4.33Å; E60-F62 HydrophobicContact CB-CE2 3.51Å; E60-F62 HydrophobicContact CB-CZ 3.95Å; E60-F62 VanDerWaalsContact OE2-CZ 3.3Å; E60-F62 WeakPolarHBondContact OE2-CZ 3.14Å; F62-K66 CarbonylContact C-O 3.58Å; F62-K66 VanDerWaalsContact CA-O 3.29Å; F62-K66 WeakPolarHBondContact CA-O 3.42Å
63I96.8Very high95.3Very high5 Ų555.4 Ų55.43%0.02632%0.319CS..EExtended strand (participates in β ladder)trans-118.7117.6173.4-51.8-63.2000107.1Q3 I4 V50 I61 G65 K66 I68 M79 I83 I168Q3-I63 WeakPolarHBondContact O-CA 3.31Å; I4-I63 HydrophobicContact CB-CD1 4.46Å; I4-I63 HydrophobicContact CG1-CD1 4.22Å; I4-I63 HydrophobicContact CG2-CD1 3.96Å; V50-I63 HydrophobicContact CG1-CD1 3.6Å; I61-I63 HydrophobicContact CG2-CD1 4.16Å; I63-G65 PolarHBondContact O-N 2.57Å; I63-K66 PolarHBondContact N-O 2.9Å; I63-K66 PolarHBondContact O-N 2.96Å; I63-I68 HydrophobicContact CG1-CB 4Å; I63-I68 HydrophobicContact CG1-CD1 4.22Å; I63-I68 HydrophobicContact CG1-CG2 4.17Å; I63-M79 HydrophobicContact CB-CE 3.77Å; I63-M79 HydrophobicContact CG1-CE 4.09Å; I63-I83 HydrophobicContact CD1-CD1 4.28Å; I63-I83 HydrophobicContact CG1-CD1 4.12Å; I63-I83 HydrophobicContact CG2-CD1 4.21Å; I63-I83 HydrophobicContact CG2-CG1 4.44Å; I63-I168 HydrophobicContact CG2-CD1 3.69Å
64Q94.2Very high95.4Very high71 Ų7158.7 Ų58.733%0.33233%0.33SS..THydrogen-bonded Turntrans49.844.4-176-56.4175.6-0.500111.8Q3 K66 E167Q3-Q64 HydrophobicContact CG-CG 3.91Å; Q3-Q64 PolarHBondContact O-N 3.18Å; Q64-K66 VanDerWaalsContact C-N 3.26Å; Q64-K66 PolarHBondContact O-N 3.09Å; Q64-E167 PolarHBondContact NE2-OE1 2.82Å; Q64-E167 PolarHBondContact NE2-OE2 3.36Å; Q64-E167 VanDerWaalsContact NE2-OE2 3.13Å
65G94.5Very high95.6Very high59 Ų5958.5 Ų58.561%0.60834%0.338SS*.THydrogen-bonded Turntrans75.2-1.1-178.800000116.1I63I63-G65 PolarHBondContact O-N 2.57Å
66K95.8Very high95.7Very high139 Ų13955.3 Ų55.360%0.60432%0.321SS*.EExtended strand (participates in β ladder)trans-103.3131178.1-63.5177.7-176.1173.50110.9F62 I63 Q64 I68 M79F62-K66 CarbonylContact C-O 3.58Å; F62-K66 VanDerWaalsContact CA-O 3.29Å; F62-K66 WeakPolarHBondContact CA-O 3.42Å; I63-K66 PolarHBondContact N-O 2.9Å; I63-K66 PolarHBondContact O-N 2.96Å; Q64-K66 VanDerWaalsContact C-N 3.26Å; Q64-K66 PolarHBondContact O-N 3.09Å; K66-I68 PolarHBondContact O-N 3.5Å; K66-M79 HydrophobicContact CB-CE 3.85Å; K66-M79 HydrophobicContact CB-SD 4.31Å; K66-M79 VanDerWaalsContact O-CE 3.25Å; K66-M79 WeakPolarHBondContact O-CE 3.49Å
67S96.6Very high95.5Very high22 Ų2257.7 Ų57.715%0.15433%0.333CS..EExtended strand (participates in β ladder)trans-69.2109.9179-177.10000110.9E60 I61 T69 A71E60-S67 PolarHBondContact OE2-OG 2.79Å; E60-S67 VanDerWaalsContact OE2-OG 3.08Å; I61-S67 CarbonylContact O-C 3.6Å; I61-S67 WeakPolarHBondContact O-CA 3.38Å; S67-T69 VanDerWaalsContact C-N 3.32Å; S67-A71 PolarHBondContact O-N 2.89Å
68I96.8Very high95.4Very high1 Ų157.8 Ų57.81%0.00533%0.328CS..SBendtrans-74.4-29.6177.3-160.3176.5000111.1V50 R52 I61 I63 K66 K70 A71 L76 M79 I83V50-I68 WeakPolarHBondContact O-CD1 3.27Å; R52-I68 HydrophobicContact CB-CD1 4.26Å; R52-I68 HydrophobicContact CB-CG1 4.4Å; I61-I68 HydrophobicContact CB-CG2 3.84Å; I61-I68 HydrophobicContact CG2-CG2 3.84Å; I61-I68 PolarHBondContact O-N 3.18Å; I63-I68 HydrophobicContact CG1-CB 4Å; I63-I68 HydrophobicContact CG1-CD1 4.22Å; I63-I68 HydrophobicContact CG1-CG2 4.17Å; K66-I68 PolarHBondContact O-N 3.5Å; I68-K70 VanDerWaalsContact C-N 3.25Å; I68-K70 PolarHBondContact O-N 3.04Å; I68-A71 PolarHBondContact O-N 3.49Å; I68-L76 HydrophobicContact CD1-CD1 4.08Å; I68-L76 HydrophobicContact CG1-CD1 3.64Å; I68-M79 HydrophobicContact CB-CE 3.51Å; I68-M79 HydrophobicContact CB-SD 4.32Å; I68-M79 HydrophobicContact CG1-CE 3.83Å; I68-M79 HydrophobicContact CG1-SD 4.19Å; I68-I83 HydrophobicContact CD1-CD1 4.05Å
69T95.1Very high95.3Very high33 Ų3356 Ų5620%0.20231%0.314CS..THydrogen-bonded Turntrans-58.6-38.8177-47.80000111.6R52 I56 I61 S67R52-T69 PolarHBondContact NH2-O 3.37Å; I56-T69 HydrophobicContact CD1-CG2 3.7Å; I56-T69 HydrophobicContact CG1-CG2 3.81Å; I61-T69 PolarHBondContact N-OG1 3.16Å; S67-T69 VanDerWaalsContact C-N 3.32Å
70K94.5Very high95.3Very high130 Ų13058.5 Ų58.557%0.56531%0.313SS*.THydrogen-bonded Turntrans-92.3-9.3-179.3-65.3176.3179.7156.50114E60 I68 H72E60-K70 VanDerWaalsContact CD-CE 3.46Å; E60-K70 VanDerWaalsContact OE1-CE 3.28Å; E60-K70 WeakPolarHBondContact OE1-CE 3.36Å; E60-K70 IonicContact OE1-NZ 2.98Å; E60-K70 PolarHBondContact OE1-NZ 2.96Å; E60-K70 VanDerWaalsContact OE2-CE 3.31Å; E60-K70 WeakPolarHBondContact OE2-CE 3.46Å; E60-K70 IonicContact OE2-NZ 3.77Å; E60-K70 PolarHBondContact OE2-NZ 3.08Å; I68-K70 VanDerWaalsContact C-N 3.25Å; I68-K70 PolarHBondContact O-N 3.04Å; K70-H72 PolarHBondContact O-CD2 3.41Å
71A95.3Very high95.1Very high11 Ų1158.5 Ų58.59%0.09131%0.311CS..  trans-75.2139-176.100000111.5R52 S67 I68 A75 L76 M79R52-A71 PolarHBondContact NH1-O 3.1Å; S67-A71 PolarHBondContact O-N 2.89Å; I68-A71 PolarHBondContact O-N 3.49Å; A71-A75 HydrophobicContact CB-CB 4.47Å; A71-L76 HydrophobicContact CB-CB 4.17Å; A71-L76 HydrophobicContact CB-CD1 4.4Å; A71-M79 HydrophobicContact CB-SD 3.59Å; A71-M79 VanDerWaalsContact CB-SD 3.59Å
72H94.9Very high95Very high128 Ų12860.7 Ų60.759%0.59332%0.323SS*.  trans-136.6161.4177.3-67.7-81.6000111.8R52 K70 K74 A75 L76R52-H72 PolarHBondContact NH2-CE1 3.3Å; K70-H72 PolarHBondContact O-CD2 3.41Å; H72-K74 PolarHBondContact O-N 3.21Å; H72-A75 PolarHBondContact O-N 2.95Å; H72-L76 PolarHBondContact O-N 2.71Å
73G93.6Very high94.9Very high63 Ų6359.1 Ų59.165%0.64932%0.316SS*.Hα-helixtrans53.5-123175.800000112.9A75 L76 L77G73-A75 PolarHBondContact O-N 2.61Å; G73-L76 PolarHBondContact O-N 3.02Å; G73-L77 PolarHBondContact O-N 3.3Å; G73-L77 VanDerWaalsContact O-N 3.1Å
74K92.9Very high94.9Very high150 Ų15058.9 Ų58.965%0.65232%0.315SS*.Hα-helixtrans-63.5-38.1-177.6-170.9179.2176.9-1690113H72 L77 E78H72-K74 PolarHBondContact O-N 3.21Å; K74-L77 WeakPolarHBondContact O-CB 3.4Å; K74-L77 PolarHBondContact O-N 3.09Å; K74-E78 WeakPolarHBondContact CE-OE1 3.3Å; K74-E78 IonicContact NZ-OE1 3.95Å; K74-E78 WeakPolarHBondContact O-CG 3.47Å; K74-E78 PolarHBondContact O-N 3.14Å
75A94.5Very high95Very high49 Ų4956.3 Ų56.341%0.40530%0.303SS..Hα-helixtrans-64.5-43.6179.900000111.3A71 H72 G73 E78 M79A71-A75 HydrophobicContact CB-CB 4.47Å; H72-A75 PolarHBondContact O-N 2.95Å; G73-A75 PolarHBondContact O-N 2.61Å; A75-E78 PolarHBondContact O-N 2.94Å; A75-M79 VanDerWaalsContact O-CG 3.31Å; A75-M79 WeakPolarHBondContact O-CG 3.38Å; A75-M79 PolarHBondContact O-N 3.02Å
76L95Very high95Very high20 Ų2053.5 Ų53.511%0.10527%0.274CS..Hα-helixtrans-62.8-44174.6-17961.6000110.9R52 I68 A71 H72 G73 E78 M79 R80R52-L76 HydrophobicContact CB-CD1 4.4Å; I68-L76 HydrophobicContact CD1-CD1 4.08Å; I68-L76 HydrophobicContact CG1-CD1 3.64Å; A71-L76 HydrophobicContact CB-CB 4.17Å; A71-L76 HydrophobicContact CB-CD1 4.4Å; H72-L76 PolarHBondContact O-N 2.71Å; G73-L76 PolarHBondContact O-N 3.02Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E78 PolarHBondContact O-N 2.83Å; L76-M79 PolarHBondContact O-N 3.42Å; L76-R80 HydrophobicContact CD1-CG 4.28Å; L76-R80 HydrophobicContact CG-CG 4.38Å; L76-R80 VanDerWaalsContact O-CG 3.27Å; L76-R80 WeakPolarHBondContact O-CG 3.48Å; L76-R80 PolarHBondContact O-N 3.08Å
77L93Very high94.8Very high75 Ų7548.7 Ų48.739%0.39325%0.253SS..Hα-helixtrans-57.9-45.2177-175.771.2000111.8G73 K74 R80 R81G73-L77 PolarHBondContact O-N 3.3Å; G73-L77 VanDerWaalsContact O-N 3.1Å; K74-L77 WeakPolarHBondContact O-CB 3.4Å; K74-L77 PolarHBondContact O-N 3.09Å; L77-R80 PolarHBondContact O-N 2.89Å; L77-R81 WeakPolarHBondContact O-CG 3.28Å; L77-R81 PolarHBondContact O-N 3.25Å
78E93.8Very high94.3Very high82 Ų8250.6 Ų50.638%0.38326%0.26SS..Hα-helixtrans-62.8-41.5177.4-75.5173.817900112.2K74 A75 L76 R81K74-E78 WeakPolarHBondContact CE-OE1 3.3Å; K74-E78 IonicContact NZ-OE1 3.95Å; K74-E78 WeakPolarHBondContact O-CG 3.47Å; K74-E78 PolarHBondContact O-N 3.14Å; A75-E78 PolarHBondContact O-N 2.94Å; L76-E78 VanDerWaalsContact C-N 3.33Å; L76-E78 PolarHBondContact O-N 2.83Å; E78-R81 WeakPolarHBondContact O-CB 3.42Å; E78-R81 PolarHBondContact O-N 2.83Å
79M95.6Very high93.8Very high19 Ų1957.1 Ų57.19%0.09429%0.29CS..Hα-helixtrans-63.7-42.1174.2-67.117875.500111.8I63 K66 I68 A71 A75 L76 R81 N82I63-M79 HydrophobicContact CB-CE 3.77Å; I63-M79 HydrophobicContact CG1-CE 4.09Å; K66-M79 HydrophobicContact CB-CE 3.85Å; K66-M79 HydrophobicContact CB-SD 4.31Å; K66-M79 VanDerWaalsContact O-CE 3.25Å; K66-M79 WeakPolarHBondContact O-CE 3.49Å; I68-M79 HydrophobicContact CB-CE 3.51Å; I68-M79 HydrophobicContact CB-SD 4.32Å; I68-M79 HydrophobicContact CG1-CE 3.83Å; I68-M79 HydrophobicContact CG1-SD 4.19Å; A71-M79 HydrophobicContact CB-SD 3.59Å; A71-M79 VanDerWaalsContact CB-SD 3.59Å; A75-M79 VanDerWaalsContact O-CG 3.31Å; A75-M79 WeakPolarHBondContact O-CG 3.38Å; A75-M79 PolarHBondContact O-N 3.02Å; L76-M79 PolarHBondContact O-N 3.42Å; M79-R81 VanDerWaalsContact C-N 3.26Å; M79-R81 PolarHBondContact O-N 3.34Å; M79-N82 PolarHBondContact O-N 3.3Å; M79-N82 VanDerWaalsContact O-N 3.08Å
80R95.4Very high93.5Very high84 Ų8456.5 Ų56.532%0.31728%0.284SS..Hα-helixtrans-63.5-30.4177.8-69.7-169.5166.6159.2-0.5112.6N51 R52 L76 L77 N82 I83 Q164N51-R80 PolarHBondContact O-NE 3.31Å; N51-R80 VanDerWaalsContact O-NE 3.14Å; N51-R80 VanDerWaalsContact OD1-CG 3.28Å; N51-R80 WeakPolarHBondContact OD1-CG 3.42Å; R52-R80 PolarHBondContact O-NH2 3.08Å; L76-R80 HydrophobicContact CD1-CG 4.28Å; L76-R80 HydrophobicContact CG-CG 4.38Å; L76-R80 VanDerWaalsContact O-CG 3.27Å; L76-R80 WeakPolarHBondContact O-CG 3.48Å; L76-R80 PolarHBondContact O-N 3.08Å; L77-R80 PolarHBondContact O-N 2.89Å; R80-N82 PolarHBondContact O-N 2.98Å; R80-I83 PolarHBondContact O-N 3.18Å; R80-I83 VanDerWaalsContact O-N 3.08Å; R80-Q164 PolarHBondContact O-NE2 3.21Å
81R94.4Very high93.3Very high52 Ų5254.5 Ų54.520%0.19628%0.28CS..Hα-helixtrans-60.3-31.1173.8-70.1170.9-168.6168.10.1112.1L77 E78 M79 I83 G108 Y109 Q164L77-R81 WeakPolarHBondContact O-CG 3.28Å; L77-R81 PolarHBondContact O-N 3.25Å; E78-R81 WeakPolarHBondContact O-CB 3.42Å; E78-R81 PolarHBondContact O-N 2.83Å; M79-R81 VanDerWaalsContact C-N 3.26Å; M79-R81 PolarHBondContact O-N 3.34Å; R81-I83 VanDerWaalsContact C-N 3.27Å; R81-I83 PolarHBondContact O-N 2.9Å; R81-G108 PolarHBondContact NE-O 3.13Å; R81-G108 PolarHBondContact NH2-O 3.14Å; R81-Y109 HydrophobicContact CB-CE1 4.47Å; R81-Y109 HydrophobicContact CB-CE2 4.18Å; R81-Y109 HydrophobicContact CG-CD2 4.37Å; R81-Y109 HydrophobicContact CG-CE1 4.34Å; R81-Y109 HydrophobicContact CG-CE2 3.94Å; R81-Q164 VanDerWaalsContact C-NE2 3.31Å; R81-Q164 WeakPolarHBondContact O-CG 3.4Å; R81-Q164 PolarHBondContact O-NE2 2.96Å
82N94.5Very high93.2Very high47 Ų4755.2 Ų55.225%0.25128%0.282SS..THydrogen-bonded Turntrans-83.1-2.6178.4-65.1-11.3000113.4M79 R80 S166 E167 I168M79-N82 PolarHBondContact O-N 3.3Å; M79-N82 VanDerWaalsContact O-N 3.08Å; R80-N82 PolarHBondContact O-N 2.98Å; N82-S166 WeakPolarHBondContact O-CB 3.33Å; N82-E167 PolarHBondContact O-N 3.27Å; N82-E167 VanDerWaalsContact O-N 3.09Å; N82-I168 PolarHBondContact O-N 3.5Å; N82-I168 VanDerWaalsContact O-N 3.16Å
83I96.6Very high93.1Very high2 Ų253.6 Ų53.61%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-121.1106.2-176.3-54.9168.4000109.9N51 I63 I68 R80 R81 Q164 I168 L170N51-I83 HydrophobicContact CB-CG2 4.07Å; I63-I83 HydrophobicContact CD1-CD1 4.28Å; I63-I83 HydrophobicContact CG1-CD1 4.12Å; I63-I83 HydrophobicContact CG2-CD1 4.21Å; I63-I83 HydrophobicContact CG2-CG1 4.44Å; I68-I83 HydrophobicContact CD1-CD1 4.05Å; R80-I83 PolarHBondContact O-N 3.18Å; R80-I83 VanDerWaalsContact O-N 3.08Å; R81-I83 VanDerWaalsContact C-N 3.27Å; R81-I83 PolarHBondContact O-N 2.9Å; I83-Q164 PolarHBondContact O-NE2 3.16Å; I83-I168 CarbonylContact C-O 3.58Å; I83-I168 WeakPolarHBondContact CA-O 3.46Å; I83-I168 HydrophobicContact CG1-CB 4.49Å; I83-I168 HydrophobicContact CG1-CD1 4.4Å; I83-I168 HydrophobicContact CG2-CG2 4.4Å; I83-L170 HydrophobicContact CG2-CD1 3.41Å; I83-L170 VanDerWaalsContact CG2-CD1 3.41Å; I83-L170 HydrophobicContact CG2-CG 3.71Å
84G96.4Very high93Very high0 Ų057.3 Ų57.30%028%0.279CS..EExtended strand (participates in β ladder)trans-79.9144.7171.500000111I168 L170G84-I168 PolarHBondContact N-O 2.82Å; G84-L170 PolarHBondContact O-N 3.07Å
85M95.3Very high93.1Very high16 Ų1660.4 Ų60.48%0.07929%0.287CS..EExtended strand (participates in β ladder)trans-124.8130.1178.4-94.7-91.6-163.500110.6L47 R48 N51 L53 F87 L170L47-M85 HydrophobicContact CD2-CE 4.26Å; L47-M85 HydrophobicContact CD2-SD 4.24Å; R48-M85 HydrophobicContact CG-CE 4.21Å; N51-M85 HydrophobicContact CB-CE 3.8Å; L53-M85 HydrophobicContact CD1-CE 3.46Å; L53-M85 VanDerWaalsContact CD1-CE 3.46Å; L53-M85 HydrophobicContact CD1-SD 4.25Å; L53-M85 HydrophobicContact CG-CE 4.18Å; M85-F87 HydrophobicContact CB-CD2 4.43Å; M85-F87 HydrophobicContact CB-CE2 3.68Å; M85-F87 HydrophobicContact CB-CZ 3.85Å; M85-F87 HydrophobicContact CG-CE2 4.41Å; M85-F87 HydrophobicContact CG-CZ 4.07Å; M85-F87 HydrophobicContact SD-CE1 3.77Å; M85-F87 HydrophobicContact SD-CE2 4.38Å; M85-F87 HydrophobicContact SD-CZ 3.68Å; M85-L170 CarbonylContact C-O 3.52Å; M85-L170 WeakPolarHBondContact CA-O 3.33Å; M85-L170 HydrophobicContact CE-CB 4.42Å; M85-L170 HydrophobicContact CE-CD1 3.93Å; M85-L170 HydrophobicContact CG-CB 4.34Å; M85-L170 HydrophobicContact SD-CB 4.06Å
86I95.3Very high93.1Very high0 Ų058.8 Ų58.80%027%0.272CS..EExtended strand (participates in β ladder)trans-118.9122.1174.9-59.8171000107.2I158 A161 I169 L170 A171 D172 P174 L190I86-I158 HydrophobicContact CD1-CB 4.48Å; I86-I158 HydrophobicContact CD1-CG1 3.78Å; I86-A161 HydrophobicContact CG1-CB 4.37Å; I86-I169 HydrophobicContact CD1-CG2 3.45Å; I86-I169 VanDerWaalsContact CD1-CG2 3.45Å; I86-I169 HydrophobicContact CG1-CG2 4.08Å; I86-L170 PolarHBondContact N-O 3.39Å; I86-A171 HydrophobicContact CB-CB 4.08Å; I86-A171 WeakPolarHBondContact O-CA 3.47Å; I86-D172 PolarHBondContact O-N 2.94Å; I86-P174 HydrophobicContact CG2-CB 3.91Å; I86-L190 HydrophobicContact CD1-CD2 3.8Å
87F90.6Very high93.1Very high39 Ų3959.2 Ų59.217%0.17128%0.277CS..EExtended strand (participates in β ladder)trans-111.3147.9-177.1-61-84.1000111.1L53 M85 H89 F90 N91L53-F87 HydrophobicContact CD1-CE1 4.16Å; L53-F87 HydrophobicContact CD1-CZ 3.91Å; M85-F87 HydrophobicContact CB-CD2 4.43Å; M85-F87 HydrophobicContact CB-CE2 3.68Å; M85-F87 HydrophobicContact CB-CZ 3.85Å; M85-F87 HydrophobicContact CG-CE2 4.41Å; M85-F87 HydrophobicContact CG-CZ 4.07Å; M85-F87 HydrophobicContact SD-CE1 3.77Å; M85-F87 HydrophobicContact SD-CE2 4.38Å; M85-F87 HydrophobicContact SD-CZ 3.68Å; F87-H89 VanDerWaalsContact C-N 3.28Å; F87-H89 PolarHBondContact O-N 2.81Å; F87-F90 WeakPolarHBondContact O-CA 3.41Å; F87-F90 PolarHBondContact O-N 3.14Å; F87-N91 HydrophobicContact CD2-CB 4.1Å; F87-N91 WeakPolarHBondContact CD2-ND2 3.42Å; F87-N91 WeakPolarHBondContact CG-ND2 3.37Å
88Q87Confident93.4Very high62 Ų6255.7 Ų55.729%0.2926%0.259SS..THydrogen-bonded Turntrans-47.4-44.1171.8-174.8-179.67.700114.2F90 D172 E173 A176Q88-F90 VanDerWaalsContact C-N 3.3Å; Q88-F90 PolarHBondContact O-N 3.49Å; Q88-D172 PolarHBondContact N-O 2.97Å; Q88-E173 WeakPolarHBondContact CA-O 3.34Å; Q88-E173 HydrophobicContact CB-CB 4.36Å; Q88-E173 WeakPolarHBondContact CB-O 3.41Å; Q88-E173 HydrophobicContact CG-CB 4.48Å; Q88-A176 HydrophobicContact CG-CB 4.18Å
89H87.2Confident93.5Very high138 Ų13853 Ų5364%0.63925%0.247SC*.THydrogen-bonded Turntrans-91.618.6179.9-63.7-52.7000114F87 N91F87-H89 VanDerWaalsContact C-N 3.28Å; F87-H89 PolarHBondContact O-N 2.81Å; H89-N91 PolarHBondContact O-N 3.19Å
90F87.9Confident93.5Very high20 Ų2057.9 Ų57.99%0.08826%0.264CS..THydrogen-bonded Turntrans63.2-30.1178.5-37.5-50.7000115.8F87 Q88 L92 G150 Q153 Q154 R160 L178F87-F90 WeakPolarHBondContact O-CA 3.41Å; F87-F90 PolarHBondContact O-N 3.14Å; Q88-F90 VanDerWaalsContact C-N 3.3Å; Q88-F90 PolarHBondContact O-N 3.49Å; F90-L92 HydrophobicContact CB-CD1 3.96Å; F90-L92 HydrophobicContact CB-CG 3.69Å; F90-L92 PolarHBondContact O-N 3.01Å; F90-G150 WeakPolarHBondContact CZ-O 3.41Å; F90-Q153 HydrophobicContact CB-CB 4.49Å; F90-Q153 HydrophobicContact CD1-CB 4.41Å; F90-Q153 HydrophobicContact CD2-CB 3.59Å; F90-Q153 HydrophobicContact CD2-CG 4.42Å; F90-Q153 VanDerWaalsContact CD2-OE1 3.24Å; F90-Q153 HydrophobicContact CE2-CB 3.84Å; F90-Q153 HydrophobicContact CG-CB 3.9Å; F90-Q153 HydrophobicContact CZ-CB 4.37Å; F90-Q154 HydrophobicContact CD1-CB 4.18Å; F90-Q154 HydrophobicContact CE1-CB 3.84Å; F90-Q154 HydrophobicContact CE1-CG 4.46Å; F90-R160 PolarHBondContact O-NH2 2.62Å; F90-L178 HydrophobicContact CZ-CD2 4.36Å
91N89.6Confident93.6Very high88 Ų8854.1 Ų54.147%0.47125%0.25SS..THydrogen-bonded Turntrans47.645.9-174.3-68.6-10.4000112.1F87 H89 R160F87-N91 HydrophobicContact CD2-CB 4.1Å; F87-N91 WeakPolarHBondContact CD2-ND2 3.42Å; F87-N91 WeakPolarHBondContact CG-ND2 3.37Å; H89-N91 PolarHBondContact O-N 3.19Å; N91-R160 PolarHBondContact O-NH1 3.18Å
92L92.9Very high93.7Very high25 Ų2551.6 Ų51.613%0.13124%0.241CC..  trans-91.5145.9177.5-57.5178.6000111.1F90 K94 N101 Q153 I156F90-L92 HydrophobicContact CB-CD1 3.96Å; F90-L92 HydrophobicContact CB-CG 3.69Å; F90-L92 PolarHBondContact O-N 3.01Å; L92-K94 PolarHBondContact O-N 3.27Å; L92-K94 VanDerWaalsContact O-N 3.07Å; L92-N101 WeakPolarHBondContact CA-OD1 3.39Å; L92-N101 HydrophobicContact CD2-CB 4.21Å; L92-Q153 HydrophobicContact CD1-CB 3.77Å; L92-Q153 HydrophobicContact CD1-CG 4.01Å; L92-I156 HydrophobicContact CD1-CB 4.1Å; L92-I156 HydrophobicContact CD1-CD1 4.01Å; L92-I156 HydrophobicContact CD1-CG2 4.21Å; L92-I156 HydrophobicContact CD2-CB 4.2Å; L92-I156 HydrophobicContact CD2-CG2 3.68Å
93V94.1Very high93.8Very high95 Ų9549.7 Ų49.758%0.57623%0.23SC*.  trans-77.593.4167.7-176.20000107.6R95 S96 N101 S145V93-R95 VanDerWaalsContact C-N 3.3Å; V93-R95 PolarHBondContact O-N 3.42Å; V93-R95 VanDerWaalsContact O-N 3.16Å; V93-S96 WeakPolarHBondContact O-CA 3.43Å; V93-S96 VanDerWaalsContact O-CB 3.24Å; V93-S96 WeakPolarHBondContact O-CB 3.48Å; V93-S96 PolarHBondContact O-N 3.4Å; V93-N101 PolarHBondContact N-OD1 3.07Å; V93-N101 PolarHBondContact O-ND2 3.15Å; V93-S145 PolarHBondContact O-OG 2.88Å
94K92Very high93.7Very high141 Ų14151.5 Ų51.561%0.61324%0.244SC*.THydrogen-bonded Turntrans-44.8-49.4-173.5-73.3-171.7-180-174.20114.1L92 S96 S145 D146L92-K94 PolarHBondContact O-N 3.27Å; L92-K94 VanDerWaalsContact O-N 3.07Å; K94-S96 PolarHBondContact O-N 2.83Å; K94-S145 WeakPolarHBondContact CA-OG 3.41Å; K94-S145 PolarHBondContact O-N 3.32Å; K94-S145 PolarHBondContact O-OG 2.93Å; K94-D146 HydrophobicContact CB-CB 4Å; K94-D146 HydrophobicContact CG-CB 4.43Å; K94-D146 VanDerWaalsContact O-CG 3.3Å; K94-D146 PolarHBondContact O-N 3.44Å
95R93.7Very high93.6Very high214 Ų21451.9 Ų51.981%0.80825%0.247SC*.THydrogen-bonded Turntrans-77.20.5-178.4-59.2-171.7177.4-176.2-0.4114.9V93V93-R95 VanDerWaalsContact C-N 3.3Å; V93-R95 PolarHBondContact O-N 3.42Å; V93-R95 VanDerWaalsContact O-N 3.16Å
96S94.2Very high93.6Very high15 Ų1551.7 Ų51.711%0.10525%0.245CC..SBendtrans-100.3154.8179.6-177.20000110.6V93 K94 R100 N101 S145V93-S96 WeakPolarHBondContact O-CA 3.43Å; V93-S96 VanDerWaalsContact O-CB 3.24Å; V93-S96 WeakPolarHBondContact O-CB 3.48Å; V93-S96 PolarHBondContact O-N 3.4Å; K94-S96 PolarHBondContact O-N 2.83Å; S96-R100 VanDerWaalsContact OG-CB 3.24Å; S96-R100 WeakPolarHBondContact OG-CB 3.43Å; S96-R100 WeakPolarHBondContact OG-CD 3.45Å; S96-R100 VanDerWaalsContact OG-CG 3.23Å; S96-R100 WeakPolarHBondContact OG-CG 3.25Å; S96-N101 PolarHBondContact O-ND2 3.01Å; S96-S145 PolarHBondContact O-N 3.1Å; S96-S145 VanDerWaalsContact O-N 3.08Å
97S96.6Very high93.5Very high30 Ų3054.9 Ų54.921%0.2127%0.265CS..BIsolated β-bridgetrans-64.8158.917568.20000112.1L99 R100 N101 Q143S97-L99 VanDerWaalsContact C-N 3.34Å; S97-L99 PolarHBondContact O-N 2.93Å; S97-R100 PolarHBondContact O-N 2.83Å; S97-R100 WeakPolarHBondContact OG-CB 3.29Å; S97-R100 PolarHBondContact OG-N 2.78Å; S97-N101 PolarHBondContact O-N 3.46Å; S97-N101 PolarHBondContact O-ND2 3.29Å; S97-Q143 CarbonylContact C-O 3.54Å; S97-Q143 WeakPolarHBondContact CA-O 3.41Å
98V97.6Very high93.5Very high0 Ų054 Ų540%027%0.266CS..Hα-helixtrans-52.5-52.1171.7171.20000111R100 N101 V102 L132 K140 Q143 L148 I156V98-R100 VanDerWaalsContact C-N 3.29Å; V98-R100 PolarHBondContact O-N 3.15Å; V98-N101 WeakPolarHBondContact O-CB 3.46Å; V98-N101 PolarHBondContact O-N 3.28Å; V98-N101 VanDerWaalsContact O-N 3.09Å; V98-V102 PolarHBondContact O-N 3.35Å; V98-L132 HydrophobicContact CG1-CD1 4.07Å; V98-L132 HydrophobicContact CG1-CD2 3.36Å; V98-L132 HydrophobicContact CG1-CG 4.39Å; V98-K140 WeakPolarHBondContact CB-O 3.21Å; V98-K140 HydrophobicContact CG2-CB 4.34Å; V98-K140 VanDerWaalsContact CG2-O 3.25Å; V98-K140 WeakPolarHBondContact CG2-O 3.23Å; V98-Q143 WeakPolarHBondContact CG2-O 3.3Å; V98-Q143 PolarHBondContact N-O 3.42Å; V98-L148 HydrophobicContact CG2-CD1 3.42Å; V98-L148 VanDerWaalsContact CG2-CD1 3.42Å; V98-I156 HydrophobicContact CB-CD1 4.39Å; V98-I156 HydrophobicContact CG1-CD1 4.21Å; V98-I156 HydrophobicContact CG1-CG1 3.93Å; V98-I156 HydrophobicContact CG1-CG2 4.48Å; V98-I156 HydrophobicContact CG2-CD1 3.73Å; V98-I156 HydrophobicContact CG2-CG1 4.34Å
99L97.2Very high93.8Very high26 Ų2654 Ų5414%0.13626%0.264CS..Hα-helixtrans-56.6-43.6-179.6178.161.8000111.9S97 N101 V102 L103 A128 M129 L132 Y141S97-L99 VanDerWaalsContact C-N 3.34Å; S97-L99 PolarHBondContact O-N 2.93Å; L99-N101 VanDerWaalsContact C-N 3.35Å; L99-V102 PolarHBondContact O-N 2.83Å; L99-L103 HydrophobicContact CD1-CD1 4.22Å; L99-L103 HydrophobicContact CD1-CG 4.29Å; L99-L103 HydrophobicContact CG-CD1 3.92Å; L99-L103 HydrophobicContact CG-CG 4.43Å; L99-L103 WeakPolarHBondContact O-CB 3.28Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.38Å; L99-L103 PolarHBondContact O-N 3.22Å; L99-A128 HydrophobicContact CD1-CB 3.66Å; L99-M129 HydrophobicContact CD1-CE 4.35Å; L99-M129 HydrophobicContact CD1-SD 3.96Å; L99-M129 HydrophobicContact CD2-CE 4.1Å; L99-L132 HydrophobicContact CD1-CD1 4.42Å; L99-Y141 HydrophobicContact CB-CD2 4.31Å; L99-Y141 VanDerWaalsContact CB-O 3.27Å; L99-Y141 WeakPolarHBondContact CB-O 3.38Å; L99-Y141 HydrophobicContact CD2-CD2 4.13Å; L99-Y141 PolarHBondContact N-O 3.28Å
100R95.5Very high94.1Very high122 Ų12249.9 Ų49.946%0.4625%0.245SC..Hα-helixtrans-71.2-31.4-179.5-178.6168.8-178.7139.32112.3S96 S97 V98 S104S96-R100 VanDerWaalsContact OG-CB 3.24Å; S96-R100 WeakPolarHBondContact OG-CB 3.43Å; S96-R100 WeakPolarHBondContact OG-CD 3.45Å; S96-R100 VanDerWaalsContact OG-CG 3.23Å; S96-R100 WeakPolarHBondContact OG-CG 3.25Å; S97-R100 PolarHBondContact O-N 2.83Å; S97-R100 WeakPolarHBondContact OG-CB 3.29Å; S97-R100 PolarHBondContact OG-N 2.78Å; V98-R100 VanDerWaalsContact C-N 3.29Å; V98-R100 PolarHBondContact O-N 3.15Å; R100-S104 PolarHBondContact O-N 2.79Å
101N96.7Very high94.3Very high4 Ų452 Ų522%0.02126%0.261CS..Hα-helixtrans-64.9-43.4169.9-85.2-75.9000111.5L92 V93 S96 S97 V98 L99 S104 S145 I156L92-N101 WeakPolarHBondContact CA-OD1 3.39Å; L92-N101 HydrophobicContact CD2-CB 4.21Å; V93-N101 PolarHBondContact N-OD1 3.07Å; V93-N101 PolarHBondContact O-ND2 3.15Å; S96-N101 PolarHBondContact O-ND2 3.01Å; S97-N101 PolarHBondContact O-N 3.46Å; S97-N101 PolarHBondContact O-ND2 3.29Å; V98-N101 WeakPolarHBondContact O-CB 3.46Å; V98-N101 PolarHBondContact O-N 3.28Å; V98-N101 VanDerWaalsContact O-N 3.09Å; L99-N101 VanDerWaalsContact C-N 3.35Å; N101-S104 VanDerWaalsContact O-CB 3.29Å; N101-S104 WeakPolarHBondContact O-CB 2.84Å; N101-S104 PolarHBondContact O-N 3.38Å; N101-S104 PolarHBondContact O-OG 2.84Å; N101-S145 PolarHBondContact ND2-OG 3.25Å; N101-I156 HydrophobicContact CB-CG2 3.78Å
102V97.4Very high94.3Very high0 Ų053.3 Ų53.30%027%0.272CS..Hα-helixtrans-66.8-43.4177.2175.20000111.8V98 L99 S104 G105 A128 A131 L132 I156 A159 C163V98-V102 PolarHBondContact O-N 3.35Å; L99-V102 PolarHBondContact O-N 2.83Å; V102-S104 PolarHBondContact O-N 3.29Å; V102-S104 VanDerWaalsContact O-N 3.08Å; V102-G105 PolarHBondContact O-N 3.47Å; V102-A128 HydrophobicContact CB-CB 4.3Å; V102-A128 HydrophobicContact CG1-CB 3.68Å; V102-A131 HydrophobicContact CG1-CB 4.39Å; V102-L132 HydrophobicContact CG2-CD1 4.42Å; V102-L132 HydrophobicContact CG2-CD2 3.62Å; V102-L132 HydrophobicContact CG2-CG 3.98Å; V102-I156 HydrophobicContact CG2-CG2 3.97Å; V102-A159 HydrophobicContact CG1-CB 4.26Å; V102-A159 HydrophobicContact CG2-CB 3.75Å; V102-C163 HydrophobicContact CG1-CB 3.52Å
103L96.6Very high94.3Very high6 Ų659.5 Ų59.53%0.03129%0.294CS..Hα-helixtrans-58.8-21.1174.4-77.5169.9000113.1L99 G105 R106 F120 D124 K125 A128L99-L103 HydrophobicContact CD1-CD1 4.22Å; L99-L103 HydrophobicContact CD1-CG 4.29Å; L99-L103 HydrophobicContact CG-CD1 3.92Å; L99-L103 HydrophobicContact CG-CG 4.43Å; L99-L103 WeakPolarHBondContact O-CB 3.28Å; L99-L103 VanDerWaalsContact O-CG 3.29Å; L99-L103 WeakPolarHBondContact O-CG 3.38Å; L99-L103 PolarHBondContact O-N 3.22Å; L103-G105 PolarHBondContact O-N 3.4Å; L103-G105 VanDerWaalsContact O-N 3.15Å; L103-R106 WeakPolarHBondContact O-CB 3.18Å; L103-R106 PolarHBondContact O-N 3.07Å; L103-F120 HydrophobicContact CB-CD1 4.04Å; L103-F120 HydrophobicContact CB-CD2 4.27Å; L103-F120 HydrophobicContact CB-CE1 3.89Å; L103-F120 HydrophobicContact CB-CE2 4.13Å; L103-F120 HydrophobicContact CB-CG 4.22Å; L103-F120 HydrophobicContact CB-CZ 3.94Å; L103-F120 HydrophobicContact CD1-CB 4.21Å; L103-F120 HydrophobicContact CD1-CD2 3.94Å; L103-F120 HydrophobicContact CD1-CE2 4.47Å; L103-F120 HydrophobicContact CD1-CG 3.99Å; L103-F120 HydrophobicContact CD2-CB 4.14Å; L103-F120 HydrophobicContact CD2-CD1 3.97Å; L103-F120 HydrophobicContact CD2-CG 4.04Å; L103-F120 HydrophobicContact CG-CD1 4.43Å; L103-F120 HydrophobicContact CG-CG 4.33Å; L103-F120 WeakPolarHBondContact O-CE1 3.25Å; L103-D124 HydrophobicContact CD2-CB 3.93Å; L103-D124 WeakPolarHBondContact CD2-O 3.46Å; L103-K125 HydrophobicContact CD1-CG 4.28Å; L103-K125 HydrophobicContact CD2-CG 4.35Å; L103-A128 HydrophobicContact CD2-CB 3.87Å; L103-A128 HydrophobicContact CG-CB 3.98Å
104S94.6Very high94.2Very high41 Ų4158.9 Ų58.929%0.28728%0.283SS..G310 helixtrans-60.8-22.2174.476.80000113R100 N101 V102 R106 V107 R160R100-S104 PolarHBondContact O-N 2.79Å; N101-S104 VanDerWaalsContact O-CB 3.29Å; N101-S104 WeakPolarHBondContact O-CB 2.84Å; N101-S104 PolarHBondContact O-N 3.38Å; N101-S104 PolarHBondContact O-OG 2.84Å; V102-S104 PolarHBondContact O-N 3.29Å; V102-S104 VanDerWaalsContact O-N 3.08Å; S104-R106 PolarHBondContact O-N 2.95Å; S104-V107 WeakPolarHBondContact O-CG1 3.3Å; S104-V107 WeakPolarHBondContact O-CG2 3.18Å; S104-V107 PolarHBondContact O-N 3.23Å; S104-R160 WeakPolarHBondContact OG-CD 3.42Å
105G94.4Very high94.1Very high7 Ų752.9 Ų52.97%0.07226%0.258CS..G310 helixtrans-64.5-20.1170.400000113.7V102 L103 Q164V102-G105 PolarHBondContact O-N 3.47Å; L103-G105 PolarHBondContact O-N 3.4Å; L103-G105 VanDerWaalsContact O-N 3.15Å; G105-Q164 WeakPolarHBondContact O-CG 3.39Å
106R95.1Very high93.9Very high12 Ų1247.8 Ų47.85%0.04525%0.25CS..G310 helixtrans-92-8.2-179.7-56.2-59.4-58.7171-3.5114.1L103 S104 G108 Y109 F120 D124 C163 E165L103-R106 WeakPolarHBondContact O-CB 3.18Å; L103-R106 PolarHBondContact O-N 3.07Å; S104-R106 PolarHBondContact O-N 2.95Å; R106-G108 PolarHBondContact O-N 2.85Å; R106-G108 VanDerWaalsContact O-N 3.11Å; R106-Y109 WeakPolarHBondContact O-CB 3.43Å; R106-Y109 PolarHBondContact O-N 3.45Å; R106-F120 HydrophobicContact CB-CD1 4.47Å; R106-F120 HydrophobicContact CB-CE1 4.4Å; R106-D124 HydrophobicContact CB-CB 4.35Å; R106-D124 HydrophobicContact CG-CB 3.93Å; R106-D124 IonicContact CZ-OD1 3.97Å; R106-D124 IonicContact NE-OD1 3.53Å; R106-D124 PolarHBondContact NE-OD1 3.32Å; R106-D124 IonicContact NE-OD2 3.41Å; R106-D124 IonicContact NH2-OD1 3.56Å; R106-D124 PolarHBondContact NH2-OD1 3.25Å; R106-C163 WeakPolarHBondContact CD-O 3.44Å; R106-C163 VanDerWaalsContact CG-SG 3.57Å; R106-C163 PolarHBondContact NH1-O 3.26Å; R106-E165 IonicContact CZ-OE2 3.55Å; R106-E165 IonicContact NH1-OE2 2.8Å; R106-E165 PolarHBondContact NH1-OE2 3.32Å; R106-E165 IonicContact NH2-OE2 3.82Å; R106-E165 PolarHBondContact NH2-OE2 2.8Å
107V93.1Very high93.7Very high68 Ų6852.6 Ų52.641%0.41227%0.274SS..G310 helixtrans-59.5-31.7-173.9-61.20000112.7S104 Y109 H110 M115 F120S104-V107 WeakPolarHBondContact O-CG1 3.3Å; S104-V107 WeakPolarHBondContact O-CG2 3.18Å; S104-V107 PolarHBondContact O-N 3.23Å; V107-Y109 PolarHBondContact O-N 2.91Å; V107-H110 PolarHBondContact O-N 3.02Å; V107-M115 HydrophobicContact CB-CB 4.35Å; V107-M115 HydrophobicContact CB-CG 4.11Å; V107-M115 HydrophobicContact CG1-CB 4.12Å; V107-M115 HydrophobicContact CG1-CG 4.21Å; V107-M115 HydrophobicContact CG1-SD 4.3Å; V107-F120 HydrophobicContact CG1-CE1 4.21Å; V107-F120 HydrophobicContact CG1-CZ 4.12Å
108G91.2Very high93.4Very high19 Ų1952.1 Ų52.120%0.19627%0.274CS..G310 helixtrans-64.5-17.7178.200000113.8R81 R106R81-G108 PolarHBondContact NE-O 3.13Å; R81-G108 PolarHBondContact NH2-O 3.14Å; R106-G108 PolarHBondContact O-N 2.85Å; R106-G108 VanDerWaalsContact O-N 3.11Å
109Y93.4Very high93.1Very high64 Ų6456.6 Ų56.625%0.25130%0.298SS..G310 helixtrans-91.1-12.9-175.7-68.2-94.6000113.8R81 R106 V107 Q164R81-Y109 HydrophobicContact CB-CE1 4.47Å; R81-Y109 HydrophobicContact CB-CE2 4.18Å; R81-Y109 HydrophobicContact CG-CD2 4.37Å; R81-Y109 HydrophobicContact CG-CE1 4.34Å; R81-Y109 HydrophobicContact CG-CE2 3.94Å; R106-Y109 WeakPolarHBondContact O-CB 3.43Å; R106-Y109 PolarHBondContact O-N 3.45Å; V107-Y109 PolarHBondContact O-N 2.91Å; Y109-Q164 HydrophobicContact CE2-CG 4.41Å; Y109-Q164 PolarHBondContact OH-O 3.31Å
110H93.5Very high93Very high50 Ų5056.4 Ų56.423%0.23130%0.296CS..SBendtrans-126.7160.1-170.9-64.6-69.9000112.6V107 T112 M115 P121 D124V107-H110 PolarHBondContact O-N 3.02Å; H110-T112 PolarHBondContact O-N 2.82Å; H110-M115 HydrophobicContact CB-CE 3.53Å; H110-M115 HydrophobicContact CB-CG 3.88Å; H110-M115 HydrophobicContact CB-SD 3.68Å; H110-P121 VanDerWaalsContact CE1-CG 3.46Å; H110-P121 WeakPolarHBondContact CE1-CG 3.27Å; H110-D124 IonicContact CD2-OD2 3.33Å; H110-D124 PolarHBondContact CD2-OD2 2.86Å; H110-D124 IonicContact CE1-OD2 3.74Å; H110-D124 IonicContact NE2-OD2 2.66Å; H110-D124 PolarHBondContact NE2-OD2 3.08Å
111P90.5Very high92.9Very high66 Ų6652.6 Ų52.643%0.42929%0.287SS..  trans-56.9134.3171.7-23.833.9000111.9W113 K114 M115P111-W113 PolarHBondContact O-N 3.17Å; P111-W113 VanDerWaalsContact O-N 3.12Å; P111-K114 PolarHBondContact O-N 2.89Å; P111-M115 PolarHBondContact O-N 3.35Å
112T89.3Confident92.9Very high114 Ų11460.9 Ų60.970%0.69932%0.323SS*.Hα-helixtrans-51.3-41.6-175.4-49.60000112.9H110 K114 M115 V116H110-T112 PolarHBondContact O-N 2.82Å; T112-K114 VanDerWaalsContact C-N 3.34Å; T112-K114 PolarHBondContact O-N 3.03Å; T112-M115 PolarHBondContact O-N 3.49Å; T112-M115 VanDerWaalsContact O-N 3.14Å; T112-V116 HydrophobicContact CG2-CG2 4.24Å; T112-V116 WeakPolarHBondContact O-CG2 3.4Å; T112-V116 PolarHBondContact O-N 3.35Å
113W93Very high92.8Very high155 Ų15567.7 Ų67.759%0.58736%0.355SS*.Hα-helixtrans-62.2-37.3-178.370.7-97.2000113P111 M115 L117 L119P111-W113 PolarHBondContact O-N 3.17Å; P111-W113 VanDerWaalsContact O-N 3.12Å; W113-M115 VanDerWaalsContact C-N 3.35Å; W113-L117 HydrophobicContact CE3-CD1 4.01Å; W113-L117 HydrophobicContact CZ3-CD1 4.28Å; W113-L117 WeakPolarHBondContact O-CG 3.45Å; W113-L117 PolarHBondContact O-N 3.16Å; W113-L119 HydrophobicContact CZ3-CD1 4.34Å
114K92.3Very high92.8Very high82 Ų8267.6 Ų67.636%0.35735%0.354SS..Hα-helixtrans-65.6-41.5175.5-74-169.3177.1-177.90110.9P111 T112 L117 G118 L119P111-K114 PolarHBondContact O-N 2.89Å; T112-K114 VanDerWaalsContact C-N 3.34Å; T112-K114 PolarHBondContact O-N 3.03Å; K114-L117 CarbonylContact O-C 3.54Å; K114-L117 PolarHBondContact O-N 2.95Å; K114-G118 PolarHBondContact O-N 3.24Å; K114-G118 VanDerWaalsContact O-N 3.14Å; K114-L119 HydrophobicContact CB-CB 4.31Å; K114-L119 PolarHBondContact O-N 2.78Å
115M91.3Very high92.9Very high16 Ų1670.2 Ų70.28%0.07936%0.36CS..Hα-helixtrans-70-38.8-177.6-59.6-60.192.700112V107 H110 P111 T112 W113 L117 G118 L119 F120V107-M115 HydrophobicContact CB-CB 4.35Å; V107-M115 HydrophobicContact CB-CG 4.11Å; V107-M115 HydrophobicContact CG1-CB 4.12Å; V107-M115 HydrophobicContact CG1-CG 4.21Å; V107-M115 HydrophobicContact CG1-SD 4.3Å; H110-M115 HydrophobicContact CB-CE 3.53Å; H110-M115 HydrophobicContact CB-CG 3.88Å; H110-M115 HydrophobicContact CB-SD 3.68Å; P111-M115 PolarHBondContact O-N 3.35Å; T112-M115 PolarHBondContact O-N 3.49Å; T112-M115 VanDerWaalsContact O-N 3.14Å; W113-M115 VanDerWaalsContact C-N 3.35Å; M115-L117 VanDerWaalsContact C-N 3.3Å; M115-L117 PolarHBondContact O-N 3.34Å; M115-G118 PolarHBondContact O-N 3.34Å; M115-L119 WeakPolarHBondContact CE-O 3.49Å; M115-F120 HydrophobicContact CE-CD1 4.07Å; M115-F120 HydrophobicContact CE-CE1 4.23Å; M115-F120 HydrophobicContact CE-CG 4.47Å; M115-F120 HydrophobicContact SD-CD1 3.69Å; M115-F120 HydrophobicContact SD-CE1 3.3Å; M115-F120 WeakPolarHBondContact SD-CE1 3.46Å; M115-F120 HydrophobicContact SD-CZ 3.88Å
116V87.8Confident93Very high106 Ų10674.8 Ų74.864%0.64238%0.382SS*.Hα-helixtrans-59.7-42.5172.9170.90000110.9T112 G118T112-V116 HydrophobicContact CG2-CG2 4.24Å; T112-V116 WeakPolarHBondContact O-CG2 3.4Å; T112-V116 PolarHBondContact O-N 3.35Å; V116-G118 PolarHBondContact O-N 3.31Å
117L91.1Very high93.1Very high116 Ų11677 Ų7761%0.60739%0.392SS*.THydrogen-bonded Turntrans-74.9-3.7175.5-64.5177000113.9W113 K114 M115 L119W113-L117 HydrophobicContact CE3-CD1 4.01Å; W113-L117 HydrophobicContact CZ3-CD1 4.28Å; W113-L117 WeakPolarHBondContact O-CG 3.45Å; W113-L117 PolarHBondContact O-N 3.16Å; K114-L117 CarbonylContact O-C 3.54Å; K114-L117 PolarHBondContact O-N 2.95Å; M115-L117 VanDerWaalsContact C-N 3.3Å; M115-L117 PolarHBondContact O-N 3.34Å; L117-L119 VanDerWaalsContact C-N 3.29Å; L117-L119 HydrophobicContact CB-CD1 4.03Å; L117-L119 HydrophobicContact CB-CG 3.9Å; L117-L119 HydrophobicContact CD1-CD1 4.11Å; L117-L119 PolarHBondContact O-N 3.45Å
118G89.7Confident93.4Very high21 Ų2173.8 Ų73.822%0.21637%0.372CS..THydrogen-bonded Turntrans70.620.8-178.100000114.5K114 M115 V116 F120K114-G118 PolarHBondContact O-N 3.24Å; K114-G118 VanDerWaalsContact O-N 3.14Å; M115-G118 PolarHBondContact O-N 3.34Å; V116-G118 PolarHBondContact O-N 3.31Å; G118-F120 VanDerWaalsContact C-N 3.27Å; G118-F120 WeakPolarHBondContact O-CD2 3.13Å; G118-F120 PolarHBondContact O-N 2.8Å
119L92.3Very high93.7Very high93 Ų9375.4 Ų75.449%0.48738%0.375SS..  trans-83.367.8-178.7-60.6176.3000111.2W113 K114 M115 L117W113-L119 HydrophobicContact CZ3-CD1 4.34Å; K114-L119 HydrophobicContact CB-CB 4.31Å; K114-L119 PolarHBondContact O-N 2.78Å; M115-L119 WeakPolarHBondContact CE-O 3.49Å; L117-L119 VanDerWaalsContact C-N 3.29Å; L117-L119 HydrophobicContact CB-CD1 4.03Å; L117-L119 HydrophobicContact CB-CG 3.9Å; L117-L119 HydrophobicContact CD1-CD1 4.11Å; L117-L119 PolarHBondContact O-N 3.45Å
120F93.7Very high93.8Very high22 Ų2276 Ų7610%0.09638%0.383CS..  trans-78.8132.7175.2-67.6-85.5000111.5L103 R106 V107 M115 G118L103-F120 HydrophobicContact CB-CD1 4.04Å; L103-F120 HydrophobicContact CB-CD2 4.27Å; L103-F120 HydrophobicContact CB-CE1 3.89Å; L103-F120 HydrophobicContact CB-CE2 4.13Å; L103-F120 HydrophobicContact CB-CG 4.22Å; L103-F120 HydrophobicContact CB-CZ 3.94Å; L103-F120 HydrophobicContact CD1-CB 4.21Å; L103-F120 HydrophobicContact CD1-CD2 3.94Å; L103-F120 HydrophobicContact CD1-CE2 4.47Å; L103-F120 HydrophobicContact CD1-CG 3.99Å; L103-F120 HydrophobicContact CD2-CB 4.14Å; L103-F120 HydrophobicContact CD2-CD1 3.97Å; L103-F120 HydrophobicContact CD2-CG 4.04Å; L103-F120 HydrophobicContact CG-CD1 4.43Å; L103-F120 HydrophobicContact CG-CG 4.33Å; L103-F120 WeakPolarHBondContact O-CE1 3.25Å; R106-F120 HydrophobicContact CB-CD1 4.47Å; R106-F120 HydrophobicContact CB-CE1 4.4Å; V107-F120 HydrophobicContact CG1-CE1 4.21Å; V107-F120 HydrophobicContact CG1-CZ 4.12Å; M115-F120 HydrophobicContact CE-CD1 4.07Å; M115-F120 HydrophobicContact CE-CE1 4.23Å; M115-F120 HydrophobicContact CE-CG 4.47Å; M115-F120 HydrophobicContact SD-CD1 3.69Å; M115-F120 HydrophobicContact SD-CE1 3.3Å; M115-F120 WeakPolarHBondContact SD-CE1 3.46Å; M115-F120 HydrophobicContact SD-CZ 3.88Å; G118-F120 VanDerWaalsContact C-N 3.27Å; G118-F120 WeakPolarHBondContact O-CD2 3.13Å; G118-F120 PolarHBondContact O-N 2.8Å
121P94.4Very high94Very high43 Ų4373.8 Ų73.828%0.27937%0.374SS..  trans-55.5157.3171.3-22.531.4000113H110 E123 D124 K125H110-P121 VanDerWaalsContact CE1-CG 3.46Å; H110-P121 WeakPolarHBondContact CE1-CG 3.27Å; P121-E123 VanDerWaalsContact C-N 3.29Å; P121-E123 PolarHBondContact O-N 2.91Å; P121-D124 WeakPolarHBondContact CD-OD2 3.49Å; P121-D124 PolarHBondContact O-N 3.36Å; P121-K125 PolarHBondContact O-N 2.96Å
122K95.5Very high94.4Very high177 Ų17770.7 Ų70.777%0.7735%0.353SS*.Hα-helixtrans-60.7-39176-71.1-175177.8-178.50112.1D124 K125 I126K122-D124 VanDerWaalsContact C-N 3.33Å; K122-D124 PolarHBondContact O-N 2.81Å; K122-K125 WeakPolarHBondContact O-CB 3.44Å; K122-K125 PolarHBondContact O-N 3Å; K122-K125 VanDerWaalsContact O-N 3.12Å; K122-I126 WeakPolarHBondContact O-CG1 3.48Å; K122-I126 PolarHBondContact O-N 3.27Å
123E96.4Very high94.7Very high144 Ų14470.8 Ų70.867%0.67335%0.346SS*.Hα-helixtrans-58.3-43.8178.3-67163.1-157.900112.2P121 K125 I126 K127P121-E123 VanDerWaalsContact C-N 3.29Å; P121-E123 PolarHBondContact O-N 2.91Å; E123-K125 VanDerWaalsContact C-N 3.3Å; E123-K125 PolarHBondContact O-N 2.88Å; E123-I126 PolarHBondContact O-N 3Å; E123-K127 WeakPolarHBondContact O-CG 3.37Å; E123-K127 PolarHBondContact O-N 3.36Å
124D96.5Very high94.8Very high4 Ų469 Ų692%0.02134%0.339CS..Hα-helixtrans-66.7-33.6177.3-75.8-15.8000112.3L103 R106 H110 P121 K122 A128L103-D124 HydrophobicContact CD2-CB 3.93Å; L103-D124 WeakPolarHBondContact CD2-O 3.46Å; R106-D124 HydrophobicContact CB-CB 4.35Å; R106-D124 HydrophobicContact CG-CB 3.93Å; R106-D124 IonicContact CZ-OD1 3.97Å; R106-D124 IonicContact NE-OD1 3.53Å; R106-D124 PolarHBondContact NE-OD1 3.32Å; R106-D124 IonicContact NE-OD2 3.41Å; R106-D124 IonicContact NH2-OD1 3.56Å; R106-D124 PolarHBondContact NH2-OD1 3.25Å; H110-D124 IonicContact CD2-OD2 3.33Å; H110-D124 PolarHBondContact CD2-OD2 2.86Å; H110-D124 IonicContact CE1-OD2 3.74Å; H110-D124 IonicContact NE2-OD2 2.66Å; H110-D124 PolarHBondContact NE2-OD2 3.08Å; P121-D124 WeakPolarHBondContact CD-OD2 3.49Å; P121-D124 PolarHBondContact O-N 3.36Å; K122-D124 VanDerWaalsContact C-N 3.33Å; K122-D124 PolarHBondContact O-N 2.81Å; D124-A128 WeakPolarHBondContact O-CB 3.46Å; D124-A128 PolarHBondContact O-N 3Å
125K96.5Very high95Very high96 Ų9665 Ų6542%0.41732%0.322SS..Hα-helixtrans-65.5-41.2173.8-66.2178.1-177.5-176.90111.1L103 P121 K122 E123 A128 M129L103-K125 HydrophobicContact CD1-CG 4.28Å; L103-K125 HydrophobicContact CD2-CG 4.35Å; P121-K125 PolarHBondContact O-N 2.96Å; K122-K125 WeakPolarHBondContact O-CB 3.44Å; K122-K125 PolarHBondContact O-N 3Å; K122-K125 VanDerWaalsContact O-N 3.12Å; E123-K125 VanDerWaalsContact C-N 3.3Å; E123-K125 PolarHBondContact O-N 2.88Å; K125-A128 PolarHBondContact O-N 2.71Å; K125-M129 VanDerWaalsContact O-CG 3.3Å; K125-M129 WeakPolarHBondContact O-CG 3.41Å; K125-M129 PolarHBondContact O-N 3.29Å
126I97.4Very high95.2Very high102 Ų10269.5 Ų69.552%0.52335%0.346SS..Hα-helixtrans-61-51.6175.6-65.6166.1000109.6K122 E123 A128 M129 D130K122-I126 WeakPolarHBondContact O-CG1 3.48Å; K122-I126 PolarHBondContact O-N 3.27Å; E123-I126 PolarHBondContact O-N 3Å; I126-A128 PolarHBondContact O-N 3.44Å; I126-M129 PolarHBondContact O-N 2.84Å; I126-D130 VanDerWaalsContact O-CG 3.29Å; I126-D130 PolarHBondContact O-N 3.31Å
127K97.2Very high95.6Very high59 Ų5964.6 Ų64.626%0.25732%0.316SS..Hα-helixtrans-54.9-40.2176.3-68.6178.6-177.8-173.40112.9E123 A131 E165E123-K127 WeakPolarHBondContact O-CG 3.37Å; E123-K127 PolarHBondContact O-N 3.36Å; K127-A131 VanDerWaalsContact O-CB 3.29Å; K127-A131 WeakPolarHBondContact O-CB 3.3Å; K127-A131 PolarHBondContact O-N 2.82Å; K127-E165 HydrophobicContact CD-CG 4.46Å; K127-E165 WeakPolarHBondContact CE-OE1 3.31Å; K127-E165 IonicContact NZ-OE1 2.78Å; K127-E165 PolarHBondContact NZ-OE1 3.29Å; K127-E165 IonicContact NZ-OE2 2.77Å; K127-E165 PolarHBondContact NZ-OE2 3.08Å
128A97.7Very high95.8Very high0 Ų061.8 Ų61.80%030%0.301CS..Hα-helixtrans-66.9-39.6177.300000112.3L99 V102 L103 D124 K125 I126 L132L99-A128 HydrophobicContact CD1-CB 3.66Å; V102-A128 HydrophobicContact CB-CB 4.3Å; V102-A128 HydrophobicContact CG1-CB 3.68Å; L103-A128 HydrophobicContact CD2-CB 3.87Å; L103-A128 HydrophobicContact CG-CB 3.98Å; D124-A128 WeakPolarHBondContact O-CB 3.46Å; D124-A128 PolarHBondContact O-N 3Å; K125-A128 PolarHBondContact O-N 2.71Å; I126-A128 PolarHBondContact O-N 3.44Å; A128-L132 WeakPolarHBondContact O-CG 3.48Å; A128-L132 PolarHBondContact O-N 3.29Å
129M97.7Very high96.2Very high53 Ų5366.4 Ų66.426%0.26132%0.321SS..Hα-helixtrans-66.7-45.6175.1-65.7-58.4-15500111.4L99 K125 I126 A131 L132 E133 L138 Y141L99-M129 HydrophobicContact CD1-CE 4.35Å; L99-M129 HydrophobicContact CD1-SD 3.96Å; L99-M129 HydrophobicContact CD2-CE 4.1Å; K125-M129 VanDerWaalsContact O-CG 3.3Å; K125-M129 WeakPolarHBondContact O-CG 3.41Å; K125-M129 PolarHBondContact O-N 3.29Å; I126-M129 PolarHBondContact O-N 2.84Å; M129-A131 VanDerWaalsContact C-N 3.27Å; M129-A131 PolarHBondContact O-N 3.42Å; M129-L132 WeakPolarHBondContact O-CB 3.28Å; M129-L132 PolarHBondContact O-N 2.87Å; M129-L132 VanDerWaalsContact O-N 3.08Å; M129-L132 HydrophobicContact SD-CD1 4.31Å; M129-E133 PolarHBondContact O-N 2.9Å; M129-L138 HydrophobicContact CB-CD1 3.9Å; M129-L138 HydrophobicContact CG-CD1 4.22Å; M129-L138 HydrophobicContact SD-CD1 3.46Å; M129-L138 WeakPolarHBondContact SD-CD1 3.42Å; M129-Y141 HydrophobicContact CE-CD1 4.4Å; M129-Y141 HydrophobicContact CE-CD2 3.54Å; M129-Y141 HydrophobicContact CE-CE2 3.86Å; M129-Y141 HydrophobicContact CE-CG 3.82Å; M129-Y141 HydrophobicContact SD-CD2 4.33Å; M129-Y141 HydrophobicContact SD-CG 4.14Å
130D97.1Very high96.4Very high77 Ų7763.8 Ų63.841%0.41231%0.306SS..Hα-helixtrans-59.3-40.8177-60.8-13.6000111.1I126 E133 R134I126-D130 VanDerWaalsContact O-CG 3.29Å; I126-D130 PolarHBondContact O-N 3.31Å; D130-E133 PolarHBondContact O-N 2.62Å; D130-R134 WeakPolarHBondContact O-CG 3.49Å; D130-R134 PolarHBondContact O-N 3.31Å
131A97.3Very high96.6Very high4 Ų467.4 Ų67.43%0.03332%0.32CS..Hα-helixtrans-65.2-38.8175.800000112.7V102 K127 M129 V135 A159 L162 C163V102-A131 HydrophobicContact CG1-CB 4.39Å; K127-A131 VanDerWaalsContact O-CB 3.29Å; K127-A131 WeakPolarHBondContact O-CB 3.3Å; K127-A131 PolarHBondContact O-N 2.82Å; M129-A131 VanDerWaalsContact C-N 3.27Å; M129-A131 PolarHBondContact O-N 3.42Å; A131-V135 PolarHBondContact O-N 2.81Å; A131-A159 HydrophobicContact CB-CB 4.13Å; A131-A159 WeakPolarHBondContact CB-O 3.39Å; A131-L162 HydrophobicContact CB-CB 3.88Å; A131-C163 HydrophobicContact CB-CB 4.11Å
132L97.8Very high96.6Very high0 Ų071.1 Ų71.10%034%0.337CS..Hα-helixtrans-68.3-35.4175.6-73.6167.7000112.3V98 L99 V102 A128 M129 V135 N136 I137 L138 A159V98-L132 HydrophobicContact CG1-CD1 4.07Å; V98-L132 HydrophobicContact CG1-CD2 3.36Å; V98-L132 HydrophobicContact CG1-CG 4.39Å; L99-L132 HydrophobicContact CD1-CD1 4.42Å; V102-L132 HydrophobicContact CG2-CD1 4.42Å; V102-L132 HydrophobicContact CG2-CD2 3.62Å; V102-L132 HydrophobicContact CG2-CG 3.98Å; A128-L132 WeakPolarHBondContact O-CG 3.48Å; A128-L132 PolarHBondContact O-N 3.29Å; M129-L132 WeakPolarHBondContact O-CB 3.28Å; M129-L132 PolarHBondContact O-N 2.87Å; M129-L132 VanDerWaalsContact O-N 3.08Å; M129-L132 HydrophobicContact SD-CD1 4.31Å; L132-V135 WeakPolarHBondContact O-CG2 3.41Å; L132-N136 PolarHBondContact O-N 2.5Å; L132-I137 HydrophobicContact CB-CG2 4.4Å; L132-I137 HydrophobicContact CD2-CG2 3.41Å; L132-I137 VanDerWaalsContact CD2-CG2 3.41Å; L132-I137 PolarHBondContact O-N 2.8Å; L132-L138 HydrophobicContact CB-CB 4.29Å; L132-L138 HydrophobicContact CB-CD1 4.08Å; L132-L138 PolarHBondContact O-N 2.95Å; L132-A159 HydrophobicContact CD2-CB 4.04Å; L132-A159 HydrophobicContact CG-CB 4.42Å
133E97Very high96.7Very high116 Ų11666.2 Ų66.254%0.54232%0.317SS..Hα-helixtrans-64.4-45.3175-170171.5-156.300111.2M129 D130 V135 N136 L138M129-E133 PolarHBondContact O-N 2.9Å; D130-E133 PolarHBondContact O-N 2.62Å; E133-V135 PolarHBondContact O-N 2.94Å; E133-N136 WeakPolarHBondContact O-CA 3.32Å; E133-N136 PolarHBondContact O-N 2.8Å; E133-L138 HydrophobicContact CB-CB 4.41Å; E133-L138 HydrophobicContact CB-CD2 4.15Å; E133-L138 HydrophobicContact CG-CD2 4.39Å
134R95.1Very high96.7Very high117 Ų11764 Ų6444%0.44230%0.303SS..Hα-helixtrans-58-32.2179.2-74.8177.7-176.5-81.1-1.4114D130 L162D130-R134 WeakPolarHBondContact O-CG 3.49Å; D130-R134 PolarHBondContact O-N 3.31Å; R134-L162 HydrophobicContact CB-CD1 4.23Å
135V95.2Very high96.6Very high0 Ų063.9 Ų63.90%030%0.301CS..THydrogen-bonded Turntrans-97.711.8177.3-560000112.8A131 L132 E133 I137 R155 I158 A159 L162A131-V135 PolarHBondContact O-N 2.81Å; L132-V135 WeakPolarHBondContact O-CG2 3.41Å; E133-V135 PolarHBondContact O-N 2.94Å; V135-I137 HydrophobicContact CG2-CB 4.36Å; V135-I137 HydrophobicContact CG2-CG2 3.57Å; V135-I137 PolarHBondContact O-N 2.77Å; V135-R155 HydrophobicContact CB-CB 4.03Å; V135-R155 HydrophobicContact CB-CG 4.25Å; V135-R155 HydrophobicContact CG2-CB 3.98Å; V135-R155 WeakPolarHBondContact O-CD 3.33Å; V135-R155 PolarHBondContact O-NH1 2.86Å; V135-I158 HydrophobicContact CG1-CB 4.06Å; V135-I158 HydrophobicContact CG1-CG2 3.63Å; V135-A159 HydrophobicContact CG2-CB 3.88Å; V135-L162 HydrophobicContact CG1-CD1 4.24Å
136N95.3Very high96.5Very high109 Ų10962.3 Ų62.358%0.58330%0.298SS*.THydrogen-bonded Turntrans53.449.1178.5-52.4-70000113.8L132 E133L132-N136 PolarHBondContact O-N 2.5Å; E133-N136 WeakPolarHBondContact O-CA 3.32Å; E133-N136 PolarHBondContact O-N 2.8Å
137I95.9Very high96.4Very high3 Ų363 Ų632%0.01530%0.299CS..  trans-137.918.4177.2-152.3178.4000113.2L132 V135 D139 K140 L148 Q152 R155 I156L132-I137 HydrophobicContact CB-CG2 4.4Å; L132-I137 HydrophobicContact CD2-CG2 3.41Å; L132-I137 VanDerWaalsContact CD2-CG2 3.41Å; L132-I137 PolarHBondContact O-N 2.8Å; V135-I137 HydrophobicContact CG2-CB 4.36Å; V135-I137 HydrophobicContact CG2-CG2 3.57Å; V135-I137 PolarHBondContact O-N 2.77Å; I137-D139 VanDerWaalsContact C-N 3.29Å; I137-D139 PolarHBondContact O-N 2.96Å; I137-K140 HydrophobicContact CD1-CG 4.43Å; I137-K140 HydrophobicContact CG1-CB 3.91Å; I137-K140 HydrophobicContact CG1-CG 3.7Å; I137-K140 PolarHBondContact O-N 3.27Å; I137-L148 HydrophobicContact CD1-CD1 4.39Å; I137-Q152 HydrophobicContact CD1-CB 3.58Å; I137-Q152 HydrophobicContact CD1-CG 3.81Å; I137-Q152 WeakPolarHBondContact CD1-O 3.37Å; I137-R155 HydrophobicContact CD1-CB 4.41Å; I137-R155 HydrophobicContact CG2-CB 4.49Å; I137-I156 HydrophobicContact CD1-CG1 4.16Å
138L97.1Very high96.2Very high57 Ų5760.8 Ų60.830%0.29829%0.29SS..G310 helixtrans-60.7-36.6-178.918062.3000112.7M129 L132 E133 K140 Y141M129-L138 HydrophobicContact CB-CD1 3.9Å; M129-L138 HydrophobicContact CG-CD1 4.22Å; M129-L138 HydrophobicContact SD-CD1 3.46Å; M129-L138 WeakPolarHBondContact SD-CD1 3.42Å; L132-L138 HydrophobicContact CB-CB 4.29Å; L132-L138 HydrophobicContact CB-CD1 4.08Å; L132-L138 PolarHBondContact O-N 2.95Å; E133-L138 HydrophobicContact CB-CB 4.41Å; E133-L138 HydrophobicContact CB-CD2 4.15Å; E133-L138 HydrophobicContact CG-CD2 4.39Å; L138-K140 PolarHBondContact O-N 3.43Å; L138-K140 VanDerWaalsContact O-N 3.1Å; L138-Y141 WeakPolarHBondContact O-CB 3.4Å; L138-Y141 WeakPolarHBondContact O-CD1 3.37Å; L138-Y141 PolarHBondContact O-N 2.88Å
139D97.2Very high96Very high119 Ų11963.8 Ų63.864%0.63631%0.31SS*.G310 helixtrans-58.7-24178.265-56.4000113.1I137I137-D139 VanDerWaalsContact C-N 3.29Å; I137-D139 PolarHBondContact O-N 2.96Å
140K96.8Very high95.7Very high37 Ų3762.6 Ų62.616%0.16131%0.312CS..G310 helixtrans-923.9-179.7-55.4-75.7-170.21330113.7V98 I137 L138 N142 Q143 L148V98-K140 WeakPolarHBondContact CB-O 3.21Å; V98-K140 HydrophobicContact CG2-CB 4.34Å; V98-K140 VanDerWaalsContact CG2-O 3.25Å; V98-K140 WeakPolarHBondContact CG2-O 3.23Å; I137-K140 HydrophobicContact CD1-CG 4.43Å; I137-K140 HydrophobicContact CG1-CB 3.91Å; I137-K140 HydrophobicContact CG1-CG 3.7Å; I137-K140 PolarHBondContact O-N 3.27Å; L138-K140 PolarHBondContact O-N 3.43Å; L138-K140 VanDerWaalsContact O-N 3.1Å; K140-N142 PolarHBondContact O-N 2.9Å; K140-Q143 VanDerWaalsContact CD-CD 3.49Å; K140-Q143 HydrophobicContact CD-CG 4.45Å; K140-Q143 WeakPolarHBondContact O-CB 3.46Å; K140-Q143 PolarHBondContact O-N 3.03Å; K140-L148 HydrophobicContact CB-CD1 4.49Å; K140-L148 HydrophobicContact CB-CD2 4.44Å; K140-L148 HydrophobicContact CD-CD2 3.72Å; K140-L148 HydrophobicContact CG-CD2 4.24Å
141Y96.8Very high95.5Very high99 Ų9959.2 Ų59.239%0.38830%0.296SS..THydrogen-bonded Turntrans-53.2-31-167.579.3-86.7000114.8L99 M129 L138L99-Y141 HydrophobicContact CB-CD2 4.31Å; L99-Y141 VanDerWaalsContact CB-O 3.27Å; L99-Y141 WeakPolarHBondContact CB-O 3.38Å; L99-Y141 HydrophobicContact CD2-CD2 4.13Å; L99-Y141 PolarHBondContact N-O 3.28Å; M129-Y141 HydrophobicContact CE-CD1 4.4Å; M129-Y141 HydrophobicContact CE-CD2 3.54Å; M129-Y141 HydrophobicContact CE-CE2 3.86Å; M129-Y141 HydrophobicContact CE-CG 3.82Å; M129-Y141 HydrophobicContact SD-CD2 4.33Å; M129-Y141 HydrophobicContact SD-CG 4.14Å; L138-Y141 WeakPolarHBondContact O-CB 3.4Å; L138-Y141 WeakPolarHBondContact O-CD1 3.37Å; L138-Y141 PolarHBondContact O-N 2.88Å
142N95.9Very high95.4Very high121 Ų12161.7 Ų61.765%0.64731%0.306SS*.THydrogen-bonded Turntrans-96.9-6.7-178.7-158.234.3000114.1K140K140-N142 PolarHBondContact O-N 2.9Å
143Q97.2Very high95.2Very high74 Ų7463.2 Ų63.235%0.34631%0.313SS..SBendtrans-75156.8177.2-63.7-170.35.200110.8S97 V98 K140S97-Q143 CarbonylContact C-O 3.54Å; S97-Q143 WeakPolarHBondContact CA-O 3.41Å; V98-Q143 WeakPolarHBondContact CG2-O 3.3Å; V98-Q143 PolarHBondContact N-O 3.42Å; K140-Q143 VanDerWaalsContact CD-CD 3.49Å; K140-Q143 HydrophobicContact CD-CG 4.45Å; K140-Q143 WeakPolarHBondContact O-CB 3.46Å; K140-Q143 PolarHBondContact O-N 3.03Å
144R96.4Very high95.2Very high98 Ų9857.7 Ų57.737%0.3729%0.288SS..BIsolated β-bridgetrans-77.5144.5174.5-66.1169.350.4164.5-3110D146 E147R144-D146 WeakPolarHBondContact CB-OD1 3.44Å; R144-D146 IonicContact CZ-OD1 3.47Å; R144-D146 IonicContact CZ-OD2 3.99Å; R144-D146 IonicContact NE-OD1 2.78Å; R144-D146 PolarHBondContact NE-OD1 3.29Å; R144-D146 IonicContact NE-OD2 3.36Å; R144-D146 IonicContact NH2-OD1 2.9Å; R144-D146 PolarHBondContact NH2-OD1 2.81Å; R144-D146 IonicContact NH2-OD2 3.55Å; R144-D146 PolarHBondContact NH2-OD2 3.36Å; R144-D146 PolarHBondContact O-N 2.85Å; R144-E147 HydrophobicContact CB-CG 4.08Å; R144-E147 PolarHBondContact N-OE2 2.92Å; R144-E147 WeakPolarHBondContact O-CB 3.42Å; R144-E147 PolarHBondContact O-N 2.9Å; R144-E147 VanDerWaalsContact O-N 3.1Å
145S94.1Very high95.2Very high0 Ų053.7 Ų53.70%027%0.272CS..G310 helixtrans-63.9-25.9-177.758.10000113.9V93 K94 S96 N101 E147 Q153V93-S145 PolarHBondContact O-OG 2.88Å; K94-S145 WeakPolarHBondContact CA-OG 3.41Å; K94-S145 PolarHBondContact O-N 3.32Å; K94-S145 PolarHBondContact O-OG 2.93Å; S96-S145 PolarHBondContact O-N 3.1Å; S96-S145 VanDerWaalsContact O-N 3.08Å; N101-S145 PolarHBondContact ND2-OG 3.25Å; S145-E147 VanDerWaalsContact C-N 3.29Å; S145-E147 PolarHBondContact O-N 3.44Å; S145-Q153 WeakPolarHBondContact O-CG 3.4Å; S145-Q153 PolarHBondContact O-NE2 2.93Å
146D93.8Very high95.3Very high63 Ų6353.7 Ų53.734%0.33727%0.272SS..G310 helixtrans-77.3-8.6176.555-4000115K94 R144 L148K94-D146 HydrophobicContact CB-CB 4Å; K94-D146 HydrophobicContact CG-CB 4.43Å; K94-D146 VanDerWaalsContact O-CG 3.3Å; K94-D146 PolarHBondContact O-N 3.44Å; R144-D146 WeakPolarHBondContact CB-OD1 3.44Å; R144-D146 IonicContact CZ-OD1 3.47Å; R144-D146 IonicContact CZ-OD2 3.99Å; R144-D146 IonicContact NE-OD1 2.78Å; R144-D146 PolarHBondContact NE-OD1 3.29Å; R144-D146 IonicContact NE-OD2 3.36Å; R144-D146 IonicContact NH2-OD1 2.9Å; R144-D146 PolarHBondContact NH2-OD1 2.81Å; R144-D146 IonicContact NH2-OD2 3.55Å; R144-D146 PolarHBondContact NH2-OD2 3.36Å; R144-D146 PolarHBondContact O-N 2.85Å; D146-L148 VanDerWaalsContact C-N 3.29Å
147E95.1Very high95.3Very high117 Ų11748.5 Ų48.555%0.54725%0.245SC..G310 helixtrans-87.3-1.2175.4-63.2165.9165.800112.4R144 S145R144-E147 HydrophobicContact CB-CG 4.08Å; R144-E147 PolarHBondContact N-OE2 2.92Å; R144-E147 WeakPolarHBondContact O-CB 3.42Å; R144-E147 PolarHBondContact O-N 2.9Å; R144-E147 VanDerWaalsContact O-N 3.1Å; S145-E147 VanDerWaalsContact C-N 3.29Å; S145-E147 PolarHBondContact O-N 3.44Å
148L94.4Very high95.3Very high13 Ų1348.3 Ų48.37%0.06824%0.244CC..SBendtrans-109154.1-169.4-58.6179.3000112.7V98 I137 K140 D146 Q152 Q153 I156V98-L148 HydrophobicContact CG2-CD1 3.42Å; V98-L148 VanDerWaalsContact CG2-CD1 3.42Å; I137-L148 HydrophobicContact CD1-CD1 4.39Å; K140-L148 HydrophobicContact CB-CD1 4.49Å; K140-L148 HydrophobicContact CB-CD2 4.44Å; K140-L148 HydrophobicContact CD-CD2 3.72Å; K140-L148 HydrophobicContact CG-CD2 4.24Å; D146-L148 VanDerWaalsContact C-N 3.29Å; L148-Q152 HydrophobicContact CB-CB 3.81Å; L148-Q153 HydrophobicContact CB-CG 4.23Å; L148-Q153 PolarHBondContact O-NE2 3.41Å; L148-I156 HydrophobicContact CD1-CD1 3.62Å
149S93.1Very high95.3Very high62 Ų6245.6 Ų45.643%0.43423%0.23SC..  trans-65.8161.2175.773.30000111.8G151 Q152 Q153S149-G151 VanDerWaalsContact C-N 3.28Å; S149-G151 PolarHBondContact O-N 3.42Å; S149-Q152 WeakPolarHBondContact O-CB 3.33Å; S149-Q152 PolarHBondContact O-N 3.3Å; S149-Q152 VanDerWaalsContact O-N 3.08Å; S149-Q152 WeakPolarHBondContact OG-CG 3.39Å; S149-Q152 PolarHBondContact OG-N 2.63Å; S149-Q153 WeakPolarHBondContact O-CG 3.43Å; S149-Q153 PolarHBondContact O-N 3.42Å
150G91.2Very high95.3Very high29 Ų2941.4 Ų41.430%0.29921%0.205SC..Hα-helixtrans-55.8-41177.100000113F90 Q153 Q154 L178F90-G150 WeakPolarHBondContact CZ-O 3.41Å; G150-Q153 PolarHBondContact O-N 3.41Å; G150-Q154 WeakPolarHBondContact O-CB 3.42Å; G150-Q154 PolarHBondContact O-N 2.84Å; G150-L178 VanDerWaalsContact C-CD2 3.5Å
151G92.7Very high95.3Very high6 Ų639.7 Ų39.76%0.06220%0.198CC..Hα-helixtrans-63.5-41.3174.500000113.8S149 Q154 R155S149-G151 VanDerWaalsContact C-N 3.28Å; S149-G151 PolarHBondContact O-N 3.42Å; G151-Q154 WeakPolarHBondContact O-CB 3.12Å; G151-Q154 PolarHBondContact O-N 3.47Å; G151-R155 WeakPolarHBondContact O-CG 3.15Å; G151-R155 PolarHBondContact O-N 3.38Å
152Q94.9Very high95.3Very high55 Ų5535.9 Ų35.926%0.25718%0.184SC..Hα-helixtrans-64.3-43.2174.4-78.6172.3-14.300111I137 L148 S149 Q154 R155 I156I137-Q152 HydrophobicContact CD1-CB 3.58Å; I137-Q152 HydrophobicContact CD1-CG 3.81Å; I137-Q152 WeakPolarHBondContact CD1-O 3.37Å; L148-Q152 HydrophobicContact CB-CB 3.81Å; S149-Q152 WeakPolarHBondContact O-CB 3.33Å; S149-Q152 PolarHBondContact O-N 3.3Å; S149-Q152 VanDerWaalsContact O-N 3.08Å; S149-Q152 WeakPolarHBondContact OG-CG 3.39Å; S149-Q152 PolarHBondContact OG-N 2.63Å; Q152-Q154 VanDerWaalsContact C-N 3.29Å; Q152-Q154 PolarHBondContact O-N 3.12Å; Q152-R155 WeakPolarHBondContact O-CB 3.18Å; Q152-R155 PolarHBondContact O-N 2.96Å; Q152-I156 WeakPolarHBondContact O-CG1 3.14Å; Q152-I156 PolarHBondContact O-N 3.45Å; Q152-I156 VanDerWaalsContact O-N 3.07Å
153Q95.3Very high95.3Very high32 Ų3230.2 Ų30.215%0.1515%0.154CC..Hα-helixtrans-60.8-39.1174.5-70.6176-10.600112.1F90 L92 S145 L148 S149 G150 I156 S157F90-Q153 HydrophobicContact CB-CB 4.49Å; F90-Q153 HydrophobicContact CD1-CB 4.41Å; F90-Q153 HydrophobicContact CD2-CB 3.59Å; F90-Q153 HydrophobicContact CD2-CG 4.42Å; F90-Q153 VanDerWaalsContact CD2-OE1 3.24Å; F90-Q153 HydrophobicContact CE2-CB 3.84Å; F90-Q153 HydrophobicContact CG-CB 3.9Å; F90-Q153 HydrophobicContact CZ-CB 4.37Å; L92-Q153 HydrophobicContact CD1-CB 3.77Å; L92-Q153 HydrophobicContact CD1-CG 4.01Å; S145-Q153 WeakPolarHBondContact O-CG 3.4Å; S145-Q153 PolarHBondContact O-NE2 2.93Å; L148-Q153 HydrophobicContact CB-CG 4.23Å; L148-Q153 PolarHBondContact O-NE2 3.41Å; S149-Q153 WeakPolarHBondContact O-CG 3.43Å; S149-Q153 PolarHBondContact O-N 3.42Å; G150-Q153 PolarHBondContact O-N 3.41Å; Q153-I156 WeakPolarHBondContact O-CB 3.44Å; Q153-I156 PolarHBondContact O-N 3.33Å; Q153-S157 PolarHBondContact O-N 2.97Å; Q153-S157 VanDerWaalsContact O-N 3.15Å
154Q95.2Very high95.3Very high0 Ų028.1 Ų28.10%014%0.144CC..Hα-helixtrans-63.1-43.8175.1-172.560.217.600111.9F90 G150 G151 Q152 I156 S157 I158 P174 L178 V186F90-Q154 HydrophobicContact CD1-CB 4.18Å; F90-Q154 HydrophobicContact CE1-CB 3.84Å; F90-Q154 HydrophobicContact CE1-CG 4.46Å; G150-Q154 WeakPolarHBondContact O-CB 3.42Å; G150-Q154 PolarHBondContact O-N 2.84Å; G151-Q154 WeakPolarHBondContact O-CB 3.12Å; G151-Q154 PolarHBondContact O-N 3.47Å; Q152-Q154 VanDerWaalsContact C-N 3.29Å; Q152-Q154 PolarHBondContact O-N 3.12Å; Q154-I156 VanDerWaalsContact C-N 3.28Å; Q154-I156 PolarHBondContact O-N 3.13Å; Q154-S157 WeakPolarHBondContact O-CA 3.45Å; Q154-S157 VanDerWaalsContact O-CB 3.27Å; Q154-S157 WeakPolarHBondContact O-CB 3.48Å; Q154-S157 PolarHBondContact O-N 3.48Å; Q154-I158 PolarHBondContact O-N 2.75Å; Q154-P174 PolarHBondContact NE2-O 3.19Å; Q154-P174 PolarHBondContact OE1-O 2.99Å; Q154-L178 HydrophobicContact CB-CD1 4.22Å; Q154-L178 HydrophobicContact CG-CD1 4.12Å; Q154-V186 HydrophobicContact CB-CG2 4.18Å; Q154-V186 HydrophobicContact CG-CB 4.43Å; Q154-V186 HydrophobicContact CG-CG1 3.67Å; Q154-V186 HydrophobicContact CG-CG2 3.83Å
155R95.6Very high95.2Very high33 Ų3328 Ų2813%0.12515%0.148CC..Hα-helixtrans-60.4-35.7174.4-73.4168.1-177.8-128.69.3112.4V135 I137 G151 Q152 S157 I158 A159 D189V135-R155 HydrophobicContact CB-CB 4.03Å; V135-R155 HydrophobicContact CB-CG 4.25Å; V135-R155 HydrophobicContact CG2-CB 3.98Å; V135-R155 WeakPolarHBondContact O-CD 3.33Å; V135-R155 PolarHBondContact O-NH1 2.86Å; I137-R155 HydrophobicContact CD1-CB 4.41Å; I137-R155 HydrophobicContact CG2-CB 4.49Å; G151-R155 WeakPolarHBondContact O-CG 3.15Å; G151-R155 PolarHBondContact O-N 3.38Å; Q152-R155 WeakPolarHBondContact O-CB 3.18Å; Q152-R155 PolarHBondContact O-N 2.96Å; R155-S157 VanDerWaalsContact C-N 3.32Å; R155-S157 PolarHBondContact O-N 3.31Å; R155-I158 PolarHBondContact O-N 2.96Å; R155-A159 WeakPolarHBondContact O-CB 3.39Å; R155-A159 PolarHBondContact O-N 3Å; R155-D189 IonicContact CZ-OD2 3.26Å; R155-D189 IonicContact NE-OD2 2.99Å; R155-D189 IonicContact NH1-OD2 2.75Å
156I96.9Very high95.2Very high0 Ų028.1 Ų28.10%015%0.149CC..Hα-helixtrans-62.5-40.9172.5-58.5166.1000111L92 V98 N101 V102 I137 L148 Q152 Q153 Q154 I158 A159 R160L92-I156 HydrophobicContact CD1-CB 4.1Å; L92-I156 HydrophobicContact CD1-CD1 4.01Å; L92-I156 HydrophobicContact CD1-CG2 4.21Å; L92-I156 HydrophobicContact CD2-CB 4.2Å; L92-I156 HydrophobicContact CD2-CG2 3.68Å; V98-I156 HydrophobicContact CB-CD1 4.39Å; V98-I156 HydrophobicContact CG1-CD1 4.21Å; V98-I156 HydrophobicContact CG1-CG1 3.93Å; V98-I156 HydrophobicContact CG1-CG2 4.48Å; V98-I156 HydrophobicContact CG2-CD1 3.73Å; V98-I156 HydrophobicContact CG2-CG1 4.34Å; N101-I156 HydrophobicContact CB-CG2 3.78Å; V102-I156 HydrophobicContact CG2-CG2 3.97Å; I137-I156 HydrophobicContact CD1-CG1 4.16Å; L148-I156 HydrophobicContact CD1-CD1 3.62Å; Q152-I156 WeakPolarHBondContact O-CG1 3.14Å; Q152-I156 PolarHBondContact O-N 3.45Å; Q152-I156 VanDerWaalsContact O-N 3.07Å; Q153-I156 WeakPolarHBondContact O-CB 3.44Å; Q153-I156 PolarHBondContact O-N 3.33Å; Q154-I156 VanDerWaalsContact C-N 3.28Å; Q154-I156 PolarHBondContact O-N 3.13Å; I156-I158 VanDerWaalsContact C-N 3.35Å; I156-A159 PolarHBondContact O-N 2.72Å; I156-R160 WeakPolarHBondContact O-CB 3.17Å; I156-R160 PolarHBondContact O-N 2.89Å
157S95.7Very high95.3Very high0 Ų028.3 Ų28.30%015%0.148CC..Hα-helixtrans-63.4-41.1176.9-169.40000111.6Q153 Q154 R155 R160 A161Q153-S157 PolarHBondContact O-N 2.97Å; Q153-S157 VanDerWaalsContact O-N 3.15Å; Q154-S157 WeakPolarHBondContact O-CA 3.45Å; Q154-S157 VanDerWaalsContact O-CB 3.27Å; Q154-S157 WeakPolarHBondContact O-CB 3.48Å; Q154-S157 PolarHBondContact O-N 3.48Å; R155-S157 VanDerWaalsContact C-N 3.32Å; R155-S157 PolarHBondContact O-N 3.31Å; S157-R160 WeakPolarHBondContact O-CB 3.1Å; S157-R160 PolarHBondContact O-N 3.44Å; S157-R160 PolarHBondContact OG-NH2 3.13Å; S157-R160 VanDerWaalsContact OG-NH2 3.15Å; S157-A161 PolarHBondContact O-N 2.94Å
158I96.5Very high95.5Very high0 Ų022.8 Ų22.80%012%0.122CC..Hα-helixtrans-63.4-50.3173.7-64.4166.8000110.7I86 V135 Q154 R155 I156 R160 A161 L162 V186 L190 I193I86-I158 HydrophobicContact CD1-CB 4.48Å; I86-I158 HydrophobicContact CD1-CG1 3.78Å; V135-I158 HydrophobicContact CG1-CB 4.06Å; V135-I158 HydrophobicContact CG1-CG2 3.63Å; Q154-I158 PolarHBondContact O-N 2.75Å; R155-I158 PolarHBondContact O-N 2.96Å; I156-I158 VanDerWaalsContact C-N 3.35Å; I158-R160 PolarHBondContact O-N 3.03Å; I158-A161 WeakPolarHBondContact O-CB 2.78Å; I158-A161 PolarHBondContact O-N 3.28Å; I158-L162 HydrophobicContact CG2-CD1 4.28Å; I158-L162 HydrophobicContact CG2-CG 4.48Å; I158-L162 PolarHBondContact O-N 3.26Å; I158-V186 HydrophobicContact CD1-CG1 4.01Å; I158-L190 HydrophobicContact CD1-CD2 4.2Å; I158-L190 HydrophobicContact CD1-CG 4.26Å; I158-L190 HydrophobicContact CG1-CD2 4.19Å; I158-L190 HydrophobicContact CG2-CD2 4.48Å; I158-I193 HydrophobicContact CG2-CD1 3.38Å
159A97.2Very high95.6Very high0 Ų022.1 Ų22.10%012%0.118CC..Hα-helixtrans-58.4-37.417800000112.1V102 A131 L132 V135 R155 I156 A161 L162 C163V102-A159 HydrophobicContact CG1-CB 4.26Å; V102-A159 HydrophobicContact CG2-CB 3.75Å; A131-A159 HydrophobicContact CB-CB 4.13Å; A131-A159 WeakPolarHBondContact CB-O 3.39Å; L132-A159 HydrophobicContact CD2-CB 4.04Å; L132-A159 HydrophobicContact CG-CB 4.42Å; V135-A159 HydrophobicContact CG2-CB 3.88Å; R155-A159 WeakPolarHBondContact O-CB 3.39Å; R155-A159 PolarHBondContact O-N 3Å; I156-A159 PolarHBondContact O-N 2.72Å; A159-A161 PolarHBondContact O-N 3.46Å; A159-L162 PolarHBondContact O-N 2.99Å; A159-C163 VanDerWaalsContact O-CB 3.26Å; A159-C163 WeakPolarHBondContact O-CB 3.4Å; A159-C163 PolarHBondContact O-N 3.06Å
160R97.2Very high95.9Very high30 Ų3019.2 Ų19.211%0.11310%0.098CC..Hα-helixtrans-60.1-43.5173.5178.8179.459.2-164.1-8.6112F90 N91 S104 I156 S157 I158 Q164F90-R160 PolarHBondContact O-NH2 2.62Å; N91-R160 PolarHBondContact O-NH1 3.18Å; S104-R160 WeakPolarHBondContact OG-CD 3.42Å; I156-R160 WeakPolarHBondContact O-CB 3.17Å; I156-R160 PolarHBondContact O-N 2.89Å; S157-R160 WeakPolarHBondContact O-CB 3.1Å; S157-R160 PolarHBondContact O-N 3.44Å; S157-R160 PolarHBondContact OG-NH2 3.13Å; S157-R160 VanDerWaalsContact OG-NH2 3.15Å; I158-R160 PolarHBondContact O-N 3.03Å; R160-Q164 PolarHBondContact O-N 2.87Å
161A96.1Very high96.1Very high2 Ų217.8 Ų17.82%0.0178%0.083CC..Hα-helixtrans-64.8-41.6175.900000111.7I86 S157 I158 A159 Q164 S166 I169I86-A161 HydrophobicContact CG1-CB 4.37Å; S157-A161 PolarHBondContact O-N 2.94Å; I158-A161 WeakPolarHBondContact O-CB 2.78Å; I158-A161 PolarHBondContact O-N 3.28Å; A159-A161 PolarHBondContact O-N 3.46Å; A161-Q164 VanDerWaalsContact O-CB 3.3Å; A161-Q164 WeakPolarHBondContact O-CB 3.24Å; A161-Q164 PolarHBondContact O-N 3.42Å; A161-S166 PolarHBondContact O-OG 2.82Å; A161-I169 HydrophobicContact CB-CD1 4.46Å; A161-I169 HydrophobicContact CB-CG1 4.39Å
162L96.3Very high96.1Very high18 Ų1817.8 Ų17.89%0.0948%0.082CC..Hα-helixtrans-64.9-43.6176.1-66.5176.2000112.9A131 R134 V135 I158 A159 Q164 E165 I169 I193 L197 I199A131-L162 HydrophobicContact CB-CB 3.88Å; R134-L162 HydrophobicContact CB-CD1 4.23Å; V135-L162 HydrophobicContact CG1-CD1 4.24Å; I158-L162 HydrophobicContact CG2-CD1 4.28Å; I158-L162 HydrophobicContact CG2-CG 4.48Å; I158-L162 PolarHBondContact O-N 3.26Å; A159-L162 PolarHBondContact O-N 2.99Å; L162-Q164 PolarHBondContact O-N 3.07Å; L162-E165 WeakPolarHBondContact O-CA 3.18Å; L162-E165 PolarHBondContact O-N 3.34Å; L162-I169 HydrophobicContact CD2-CD1 4.47Å; L162-I193 HydrophobicContact CD1-CD1 3.78Å; L162-I193 HydrophobicContact CD1-CG1 4.18Å; L162-I193 HydrophobicContact CD2-CD1 4.17Å; L162-I193 HydrophobicContact CD2-CG1 4.22Å; L162-I193 HydrophobicContact CD2-CG2 3.71Å; L162-I193 HydrophobicContact CG-CD1 4.28Å; L162-L197 HydrophobicContact CD2-CD1 4.06Å; L162-I199 HydrophobicContact CD2-CD1 3.98Å
163C97Very high96Very high2 Ų216.9 Ų16.91%0.0148%0.078CC..Hα-helixtrans-60.5-30.6177.6-176.50000111.7V102 R106 A131 A159 E165V102-C163 HydrophobicContact CG1-CB 3.52Å; R106-C163 WeakPolarHBondContact CD-O 3.44Å; R106-C163 VanDerWaalsContact CG-SG 3.57Å; R106-C163 PolarHBondContact NH1-O 3.26Å; A131-C163 HydrophobicContact CB-CB 4.11Å; A159-C163 VanDerWaalsContact O-CB 3.26Å; A159-C163 WeakPolarHBondContact O-CB 3.4Å; A159-C163 PolarHBondContact O-N 3.06Å; C163-E165 PolarHBondContact O-N 2.83Å
164Q96Very high95.8Very high31 Ų3115.4 Ų15.415%0.1457%0.071CC..THydrogen-bonded Turntrans-65.4-15.1174-169-180-47.400113.2R80 R81 I83 G105 Y109 R160 A161 L162 S166R80-Q164 PolarHBondContact O-NE2 3.21Å; R81-Q164 VanDerWaalsContact C-NE2 3.31Å; R81-Q164 WeakPolarHBondContact O-CG 3.4Å; R81-Q164 PolarHBondContact O-NE2 2.96Å; I83-Q164 PolarHBondContact O-NE2 3.16Å; G105-Q164 WeakPolarHBondContact O-CG 3.39Å; Y109-Q164 HydrophobicContact CE2-CG 4.41Å; Y109-Q164 PolarHBondContact OH-O 3.31Å; R160-Q164 PolarHBondContact O-N 2.87Å; A161-Q164 VanDerWaalsContact O-CB 3.3Å; A161-Q164 WeakPolarHBondContact O-CB 3.24Å; A161-Q164 PolarHBondContact O-N 3.42Å; L162-Q164 PolarHBondContact O-N 3.07Å; Q164-S166 VanDerWaalsContact C-N 3.3Å
165E94.8Very high95.7Very high95 Ų9515.6 Ų15.644%0.4447%0.072SC..THydrogen-bonded Turntrans61.537.2-173.3-59.4172.2124.900112.1R106 K127 L162 C163R106-E165 IonicContact CZ-OE2 3.55Å; R106-E165 IonicContact NH1-OE2 2.8Å; R106-E165 PolarHBondContact NH1-OE2 3.32Å; R106-E165 IonicContact NH2-OE2 3.82Å; R106-E165 PolarHBondContact NH2-OE2 2.8Å; K127-E165 HydrophobicContact CD-CG 4.46Å; K127-E165 WeakPolarHBondContact CE-OE1 3.31Å; K127-E165 IonicContact NZ-OE1 2.78Å; K127-E165 PolarHBondContact NZ-OE1 3.29Å; K127-E165 IonicContact NZ-OE2 2.77Å; K127-E165 PolarHBondContact NZ-OE2 3.08Å; L162-E165 WeakPolarHBondContact O-CA 3.18Å; L162-E165 PolarHBondContact O-N 3.34Å; C163-E165 PolarHBondContact O-N 2.83Å
166S95.2Very high95.2Very high3 Ų316 Ų162%0.0218%0.082CC..  trans-72.8134.9-179.759.60000112.4N82 A161 Q164 I168N82-S166 WeakPolarHBondContact O-CB 3.33Å; A161-S166 PolarHBondContact O-OG 2.82Å; Q164-S166 VanDerWaalsContact C-N 3.3Å; S166-I168 WeakPolarHBondContact CB-O 3.32Å
167E95.9Very high94.5Very high67 Ų6719.5 Ų19.531%0.31311%0.107SC..SBendtrans-83.5-16.1171.6-65.9-178.8-122.600113.2Q3 Q64 N82 T200Q3-E167 PolarHBondContact NE2-OE2 3.26Å; Q64-E167 PolarHBondContact NE2-OE1 2.82Å; Q64-E167 PolarHBondContact NE2-OE2 3.36Å; Q64-E167 VanDerWaalsContact NE2-OE2 3.13Å; N82-E167 PolarHBondContact O-N 3.27Å; N82-E167 VanDerWaalsContact O-N 3.09Å; E167-T200 PolarHBondContact O-N 2.75Å
168I98Very high94.2Very high0 Ų020.6 Ų20.60%011%0.113CC..EExtended strand (participates in β ladder)trans-125130.7177.8-63.6161000108.1Q3 I4 I63 N82 I83 G84 S166 L170 T200Q3-I168 HydrophobicContact CG-CD1 4.16Å; Q3-I168 HydrophobicContact CG-CG1 4.32Å; I4-I168 HydrophobicContact CD1-CD1 4.13Å; I4-I168 HydrophobicContact CD1-CG1 4.37Å; I4-I168 HydrophobicContact CD1-CG2 3.77Å; I4-I168 HydrophobicContact CG1-CD1 3.77Å; I4-I168 HydrophobicContact CG1-CG1 4.42Å; I63-I168 HydrophobicContact CG2-CD1 3.69Å; N82-I168 PolarHBondContact O-N 3.5Å; N82-I168 VanDerWaalsContact O-N 3.16Å; I83-I168 CarbonylContact C-O 3.58Å; I83-I168 WeakPolarHBondContact CA-O 3.46Å; I83-I168 HydrophobicContact CG1-CB 4.49Å; I83-I168 HydrophobicContact CG1-CD1 4.4Å; I83-I168 HydrophobicContact CG2-CG2 4.4Å; G84-I168 PolarHBondContact N-O 2.82Å; S166-I168 WeakPolarHBondContact CB-O 3.32Å; I168-L170 HydrophobicContact CG2-CD2 3.74Å; I168-L170 HydrophobicContact CG2-CG 4.19Å; I168-T200 CarbonylContact C-O 3.48Å; I168-T200 WeakPolarHBondContact CA-O 3.4Å
169I98Very high93.9Very high0 Ų024.5 Ų24.50%013%0.133CC..EExtended strand (participates in β ladder)trans-113125.4169.5-69.3174.2000108.9I86 A161 L162 I193 I199 T200 I201 L202I86-I169 HydrophobicContact CD1-CG2 3.45Å; I86-I169 VanDerWaalsContact CD1-CG2 3.45Å; I86-I169 HydrophobicContact CG1-CG2 4.08Å; A161-I169 HydrophobicContact CB-CD1 4.46Å; A161-I169 HydrophobicContact CB-CG1 4.39Å; L162-I169 HydrophobicContact CD2-CD1 4.47Å; I169-I193 HydrophobicContact CD1-CG2 4.13Å; I169-I199 HydrophobicContact CB-CG2 4.28Å; I169-I199 HydrophobicContact CD1-CG2 3.77Å; I169-I199 HydrophobicContact CG1-CG2 3.72Å; I169-T200 PolarHBondContact N-O 2.94Å; I169-I201 HydrophobicContact CB-CG1 4.31Å; I169-I201 WeakPolarHBondContact O-CA 3.39Å; I169-L202 PolarHBondContact O-N 2.9Å
170L97.7Very high93.5Very high0 Ų027.9 Ų27.90%016%0.155CC..EExtended strand (participates in β ladder)trans-105122.1173.1-54179.5000108.8L47 V50 N51 I83 G84 M85 I86 I168 L202L47-L170 HydrophobicContact CD2-CB 3.83Å; L47-L170 HydrophobicContact CG-CB 4.06Å; V50-L170 HydrophobicContact CB-CD1 3.74Å; V50-L170 HydrophobicContact CB-CD2 4.29Å; V50-L170 HydrophobicContact CG1-CD1 3.85Å; V50-L170 HydrophobicContact CG1-CD2 4.02Å; N51-L170 HydrophobicContact CB-CD1 3.94Å; I83-L170 HydrophobicContact CG2-CD1 3.41Å; I83-L170 VanDerWaalsContact CG2-CD1 3.41Å; I83-L170 HydrophobicContact CG2-CG 3.71Å; G84-L170 PolarHBondContact O-N 3.07Å; M85-L170 CarbonylContact C-O 3.52Å; M85-L170 WeakPolarHBondContact CA-O 3.33Å; M85-L170 HydrophobicContact CE-CB 4.42Å; M85-L170 HydrophobicContact CE-CD1 3.93Å; M85-L170 HydrophobicContact CG-CB 4.34Å; M85-L170 HydrophobicContact SD-CB 4.06Å; I86-L170 PolarHBondContact N-O 3.39Å; I168-L170 HydrophobicContact CG2-CD2 3.74Å; I168-L170 HydrophobicContact CG2-CG 4.19Å; L170-L202 CarbonylContact C-O 3.58Å; L170-L202 WeakPolarHBondContact CA-O 3.31Å; L170-L202 HydrophobicContact CD2-CB 3.83Å; L170-L202 HydrophobicContact CD2-CD2 4.14Å; L170-L202 HydrophobicContact CD2-CG 4.46Å
171A96.2Very high93.2Very high0 Ų032 Ų320%018%0.179CC..EExtended strand (participates in β ladder)trans-121.1109.5-17800000111.6L47 I86 E173 P174 L202 I203 N204L47-A171 WeakPolarHBondContact CD1-O 3.43Å; I86-A171 HydrophobicContact CB-CB 4.08Å; I86-A171 WeakPolarHBondContact O-CA 3.47Å; A171-E173 PolarHBondContact O-N 3.41Å; A171-P174 HydrophobicContact CB-CB 4.34Å; A171-P174 HydrophobicContact CB-CG 3.93Å; A171-L202 PolarHBondContact N-O 3.49Å; A171-I203 HydrophobicContact CB-CB 4.03Å; A171-I203 HydrophobicContact CB-CD1 4.1Å; A171-I203 HydrophobicContact CB-CG1 3.74Å; A171-I203 CarbonylContact O-C 3.54Å; A171-I203 WeakPolarHBondContact O-CA 3.34Å; A171-N204 PolarHBondContact O-N 2.86Å
172D93.4Very high92.9Very high5 Ų533 Ų333%0.02719%0.185CC..EExtended strand (participates in β ladder)trans-93.595.8178.8-158.618.7000109.1S44 L47 R48 I86 Q88 N204S44-D172 WeakPolarHBondContact CB-OD1 3.18Å; S44-D172 PolarHBondContact OG-OD1 2.91Å; S44-D172 PolarHBondContact OG-OD2 3.17Å; L47-D172 HydrophobicContact CD2-CB 3.89Å; R48-D172 IonicContact CZ-OD2 3.34Å; R48-D172 VanDerWaalsContact CZ-OD2 3.26Å; R48-D172 IonicContact NE-OD2 3.06Å; R48-D172 PolarHBondContact NE-OD2 2.96Å; R48-D172 IonicContact NH2-OD2 3.26Å; R48-D172 PolarHBondContact NH2-OD2 2.98Å; I86-D172 PolarHBondContact O-N 2.94Å; Q88-D172 PolarHBondContact N-O 2.97Å; D172-N204 PolarHBondContact OD1-ND2 3.14Å
173E91.1Very high92.8Very high37 Ų3732.1 Ų32.117%0.17318%0.18CC..SBendtrans50.456.5178.9-62.5-173.3-168.900113.8Q88 A171 V175 A176 N204Q88-E173 WeakPolarHBondContact CA-O 3.34Å; Q88-E173 HydrophobicContact CB-CB 4.36Å; Q88-E173 WeakPolarHBondContact CB-O 3.41Å; Q88-E173 HydrophobicContact CG-CB 4.48Å; A171-E173 PolarHBondContact O-N 3.41Å; E173-V175 PolarHBondContact O-N 3.27Å; E173-A176 HydrophobicContact CB-CB 4.13Å; E173-A176 PolarHBondContact O-N 3.19Å; E173-N204 WeakPolarHBondContact CA-O 3.4Å; E173-N204 HydrophobicContact CG-CB 4.31Å; E173-N204 PolarHBondContact N-O 2.79Å
174P92.7Very high92.6Very high1 Ų136.2 Ų36.21%0.00620%0.198CC..THydrogen-bonded Turntrans-65.2-14.4-170.727.6-36.5000114.9I86 Q154 A171 I203I86-P174 HydrophobicContact CG2-CB 3.91Å; Q154-P174 PolarHBondContact NE2-O 3.19Å; Q154-P174 PolarHBondContact OE1-O 2.99Å; A171-P174 HydrophobicContact CB-CB 4.34Å; A171-P174 HydrophobicContact CB-CG 3.93Å; P174-I203 HydrophobicContact CG-CD1 3.43Å; P174-I203 VanDerWaalsContact CG-CD1 3.43Å; P174-I203 HydrophobicContact CG-CG1 3.96Å
175V91.7Very high92.5Very high4 Ų438.3 Ų38.32%0.02421%0.208CC..THydrogen-bonded Turntrans-121.62.9-171.3-63.10000113.8E173 S177 L178 T183 V186 M187 L205 L210E173-V175 PolarHBondContact O-N 3.27Å; V175-S177 PolarHBondContact O-N 2.79Å; V175-S177 VanDerWaalsContact O-N 3.08Å; V175-L178 HydrophobicContact CB-CD1 4.33Å; V175-L178 HydrophobicContact CG1-CD1 4.17Å; V175-L178 PolarHBondContact O-N 2.9Å; V175-L178 VanDerWaalsContact O-N 3.16Å; V175-T183 HydrophobicContact CB-CG2 3.69Å; V175-T183 HydrophobicContact CG1-CG2 4Å; V175-T183 HydrophobicContact CG2-CG2 3.86Å; V175-V186 HydrophobicContact CG1-CB 4.14Å; V175-V186 HydrophobicContact CG1-CG1 3.76Å; V175-M187 HydrophobicContact CG1-CG 4.04Å; V175-M187 HydrophobicContact CG1-SD 4.11Å; V175-L205 HydrophobicContact CG2-CD2 4.06Å; V175-L210 HydrophobicContact CG2-CD1 4.06Å
176A85.6Confident92.4Very high41 Ų4133.8 Ų33.834%0.33919%0.186SC..THydrogen-bonded Turntrans-64.3-19.7-17100000114.9Q88 E173Q88-A176 HydrophobicContact CG-CB 4.18Å; E173-A176 HydrophobicContact CB-CB 4.13Å; E173-A176 PolarHBondContact O-N 3.19Å
177S83.2Confident92.5Very high73 Ų7333.6 Ų33.651%0.5119%0.185SC..THydrogen-bonded Turntrans-113.716.9179.5670000113.7V175V175-S177 PolarHBondContact O-N 2.79Å; V175-S177 VanDerWaalsContact O-N 3.08Å
178L87.6Confident92.4Very high24 Ų2433.4 Ų33.413%0.12619%0.186CC..SBendtrans-106.5151.3-176.1-56.5-179.3000110.5F90 G150 Q154 V175 T182 V186F90-L178 HydrophobicContact CZ-CD2 4.36Å; G150-L178 VanDerWaalsContact C-CD2 3.5Å; Q154-L178 HydrophobicContact CB-CD1 4.22Å; Q154-L178 HydrophobicContact CG-CD1 4.12Å; V175-L178 HydrophobicContact CB-CD1 4.33Å; V175-L178 HydrophobicContact CG1-CD1 4.17Å; V175-L178 PolarHBondContact O-N 2.9Å; V175-L178 VanDerWaalsContact O-N 3.16Å; L178-T182 HydrophobicContact CB-CG2 4.2Å; L178-T182 HydrophobicContact CD1-CG2 4.02Å; L178-T182 HydrophobicContact CD2-CG2 4.25Å; L178-T182 HydrophobicContact CG-CG2 4.39Å; L178-V186 HydrophobicContact CD1-CB 4.45Å; L178-V186 HydrophobicContact CD1-CG2 3.9Å
179D90.1Very high92.3Very high81 Ų8134.1 Ų34.143%0.43319%0.19SC..  trans-66.6160.6169.765.389.4000110.9L181 T182 T183D179-L181 VanDerWaalsContact C-N 3.32Å; D179-L181 PolarHBondContact O-N 2.84Å; D179-L181 WeakPolarHBondContact OD1-CB 3.12Å; D179-L181 PolarHBondContact OD1-N 3.24Å; D179-T182 VanDerWaalsContact CG-OG1 3.22Å; D179-T182 PolarHBondContact O-N 3.38Å; D179-T182 PolarHBondContact OD1-N 3.2Å; D179-T182 PolarHBondContact OD1-OG1 2.77Å; D179-T182 VanDerWaalsContact OD1-OG1 3.13Å; D179-T182 WeakPolarHBondContact OD2-CB 3.39Å; D179-T182 PolarHBondContact OD2-OG1 3.29Å; D179-T183 WeakPolarHBondContact O-CB 3.45Å; D179-T183 PolarHBondContact O-N 3.07Å; D179-T183 PolarHBondContact O-OG1 3.3Å
180P89.3Confident92.2Very high71 Ų7134.1 Ų34.146%0.46119%0.19SC..Hα-helixtrans-57.9-38.9-175.3-28.536.4000114.5T183 K184 L254 V256P180-T183 WeakPolarHBondContact O-CB 3.4Å; P180-T183 PolarHBondContact O-N 3.32Å; P180-K184 PolarHBondContact O-N 2.85Å; P180-K184 VanDerWaalsContact O-N 3.07Å; P180-L254 HydrophobicContact CB-CD2 4.15Å; P180-V256 HydrophobicContact CB-CG2 4.21Å
181L90.7Very high92.2Very high118 Ų11837.1 Ų37.162%0.61820%0.202SC*.Hα-helixtrans-67.5-47.8-179.6-179.767.8000110.5D179 T183 K184 Q185D179-L181 VanDerWaalsContact C-N 3.32Å; D179-L181 PolarHBondContact O-N 2.84Å; D179-L181 WeakPolarHBondContact OD1-CB 3.12Å; D179-L181 PolarHBondContact OD1-N 3.24Å; L181-T183 VanDerWaalsContact C-N 3.3Å; L181-T183 PolarHBondContact O-N 3.01Å; L181-K184 PolarHBondContact O-N 2.84Å; L181-Q185 WeakPolarHBondContact O-CG 3.37Å; L181-Q185 PolarHBondContact O-N 3.04Å; L181-Q185 VanDerWaalsContact O-N 3.13Å
182T91Very high92.2Very high21 Ų2141.5 Ų41.513%0.12922%0.221CC..Hα-helixtrans-64-37.4177.1-60.50000111.7L178 D179 Q185 V186L178-T182 HydrophobicContact CB-CG2 4.2Å; L178-T182 HydrophobicContact CD1-CG2 4.02Å; L178-T182 HydrophobicContact CD2-CG2 4.25Å; L178-T182 HydrophobicContact CG-CG2 4.39Å; D179-T182 VanDerWaalsContact CG-OG1 3.22Å; D179-T182 PolarHBondContact O-N 3.38Å; D179-T182 PolarHBondContact OD1-N 3.2Å; D179-T182 PolarHBondContact OD1-OG1 2.77Å; D179-T182 VanDerWaalsContact OD1-OG1 3.13Å; D179-T182 WeakPolarHBondContact OD2-CB 3.39Å; D179-T182 PolarHBondContact OD2-OG1 3.29Å; T182-Q185 PolarHBondContact O-N 2.78Å; T182-V186 HydrophobicContact CG2-CG2 4.42Å; T182-V186 WeakPolarHBondContact O-CG2 3.34Å; T182-V186 PolarHBondContact O-N 3.43Å
183T93.3Very high92.3Very high1 Ų141.7 Ų41.71%0.00622%0.222CC..Hα-helixtrans-56.8-50.1174.6-67.40000111V175 D179 P180 L181 Q185 V186 M187 L210 L254V175-T183 HydrophobicContact CB-CG2 3.69Å; V175-T183 HydrophobicContact CG1-CG2 4Å; V175-T183 HydrophobicContact CG2-CG2 3.86Å; D179-T183 WeakPolarHBondContact O-CB 3.45Å; D179-T183 PolarHBondContact O-N 3.07Å; D179-T183 PolarHBondContact O-OG1 3.3Å; P180-T183 WeakPolarHBondContact O-CB 3.4Å; P180-T183 PolarHBondContact O-N 3.32Å; L181-T183 VanDerWaalsContact C-N 3.3Å; L181-T183 PolarHBondContact O-N 3.01Å; T183-Q185 PolarHBondContact O-N 3.4Å; T183-V186 PolarHBondContact O-N 2.94Å; T183-M187 HydrophobicContact CG2-CG 4.48Å; T183-M187 WeakPolarHBondContact O-CB 3.35Å; T183-M187 VanDerWaalsContact O-CG 3.27Å; T183-M187 WeakPolarHBondContact O-CG 3.19Å; T183-M187 PolarHBondContact O-N 3.16Å; T183-L210 HydrophobicContact CG2-CD1 3.48Å; T183-L210 VanDerWaalsContact CG2-CD1 3.48Å; T183-L210 HydrophobicContact CG2-CD2 4.24Å; T183-L254 HydrophobicContact CG2-CD2 3.89Å
184K93.4Very high92.6Very high87 Ų8740.6 Ų40.638%0.37822%0.217SC..Hα-helixtrans-58.4-48.2177.7-166.1176-176.9164.10111.5P180 L181 V186 M187 D188 Y214P180-K184 PolarHBondContact O-N 2.85Å; P180-K184 VanDerWaalsContact O-N 3.07Å; L181-K184 PolarHBondContact O-N 2.84Å; K184-V186 PolarHBondContact O-N 3.08Å; K184-M187 PolarHBondContact O-N 2.9Å; K184-D188 WeakPolarHBondContact O-CB 3.42Å; K184-D188 VanDerWaalsContact O-CG 3.29Å; K184-D188 PolarHBondContact O-N 3.43Å; K184-Y214 WeakPolarHBondContact CG-OH 3.5Å
185Q93Very high92.8Very high75 Ų7547.3 Ų47.335%0.3525%0.248SC..Hα-helixtrans-59.3-43.8178.6-68.6176.23.200113.3L181 T182 T183 M187 D188 D189L181-Q185 WeakPolarHBondContact O-CG 3.37Å; L181-Q185 PolarHBondContact O-N 3.04Å; L181-Q185 VanDerWaalsContact O-N 3.13Å; T182-Q185 PolarHBondContact O-N 2.78Å; T183-Q185 PolarHBondContact O-N 3.4Å; Q185-M187 VanDerWaalsContact C-N 3.33Å; Q185-D188 PolarHBondContact O-N 2.84Å; Q185-D189 VanDerWaalsContact O-CG 3.32Å; Q185-D189 PolarHBondContact O-N 3.22Å
186V93.9Very high93Very high0 Ų052.6 Ų52.60%027%0.273CS..Hα-helixtrans-64.8-40.7178.1165.50000111Q154 I158 V175 L178 T182 T183 K184 D189 L190Q154-V186 HydrophobicContact CB-CG2 4.18Å; Q154-V186 HydrophobicContact CG-CB 4.43Å; Q154-V186 HydrophobicContact CG-CG1 3.67Å; Q154-V186 HydrophobicContact CG-CG2 3.83Å; I158-V186 HydrophobicContact CD1-CG1 4.01Å; V175-V186 HydrophobicContact CG1-CB 4.14Å; V175-V186 HydrophobicContact CG1-CG1 3.76Å; L178-V186 HydrophobicContact CD1-CB 4.45Å; L178-V186 HydrophobicContact CD1-CG2 3.9Å; T182-V186 HydrophobicContact CG2-CG2 4.42Å; T182-V186 WeakPolarHBondContact O-CG2 3.34Å; T182-V186 PolarHBondContact O-N 3.43Å; T183-V186 PolarHBondContact O-N 2.94Å; K184-V186 PolarHBondContact O-N 3.08Å; V186-D189 PolarHBondContact O-N 2.87Å; V186-L190 WeakPolarHBondContact O-CG 3.25Å; V186-L190 PolarHBondContact O-N 3.05Å; V186-L190 VanDerWaalsContact O-N 3.1Å
187M95.7Very high93.4Very high0 Ų054.1 Ų54.10%028%0.275CS..Hα-helixtrans-68.8-36.9177.4-68.7-62.3-60.100111.5F32 V175 T183 K184 Q185 L190 R191 I203 L205 Y214F32-M187 HydrophobicContact CE1-CE 4.35Å; F32-M187 HydrophobicContact CZ-CE 4.06Å; V175-M187 HydrophobicContact CG1-CG 4.04Å; V175-M187 HydrophobicContact CG1-SD 4.11Å; T183-M187 HydrophobicContact CG2-CG 4.48Å; T183-M187 WeakPolarHBondContact O-CB 3.35Å; T183-M187 VanDerWaalsContact O-CG 3.27Å; T183-M187 WeakPolarHBondContact O-CG 3.19Å; T183-M187 PolarHBondContact O-N 3.16Å; K184-M187 PolarHBondContact O-N 2.9Å; Q185-M187 VanDerWaalsContact C-N 3.33Å; M187-L190 PolarHBondContact O-N 2.86Å; M187-L190 HydrophobicContact SD-CD1 4.27Å; M187-R191 WeakPolarHBondContact O-CB 3.41Å; M187-R191 PolarHBondContact O-N 3.23Å; M187-I203 HydrophobicContact CE-CD1 4Å; M187-I203 HydrophobicContact SD-CD1 3.81Å; M187-L205 HydrophobicContact CE-CD1 3.87Å; M187-L205 HydrophobicContact CE-CD2 4.35Å; M187-L205 HydrophobicContact SD-CD2 4.17Å; M187-Y214 HydrophobicContact CB-CD1 3.56Å; M187-Y214 HydrophobicContact CB-CD2 4.11Å; M187-Y214 HydrophobicContact CB-CE1 3.19Å; M187-Y214 HydrophobicContact CB-CE2 3.8Å; M187-Y214 HydrophobicContact CB-CG 4.04Å; M187-Y214 HydrophobicContact CE-CD1 3.94Å; M187-Y214 HydrophobicContact CE-CD2 3.89Å; M187-Y214 HydrophobicContact CE-CG 3.54Å; M187-Y214 HydrophobicContact CG-CE1 4.47Å; M187-Y214 HydrophobicContact CG-CE2 4.42Å; M187-Y214 WeakPolarHBondContact O-CD1 3.49Å; M187-Y214 WeakPolarHBondContact O-CE1 3.49Å
188D95.3Very high94Very high62 Ų6252.1 Ų52.133%0.33227%0.266SS..Hα-helixtrans-63.1-43.4173.1-75-30.4000111.4K184 Q185 L190 R191 K192 Y214K184-D188 WeakPolarHBondContact O-CB 3.42Å; K184-D188 VanDerWaalsContact O-CG 3.29Å; K184-D188 PolarHBondContact O-N 3.43Å; Q185-D188 PolarHBondContact O-N 2.84Å; D188-L190 VanDerWaalsContact C-N 3.33Å; D188-L190 PolarHBondContact O-N 3.01Å; D188-R191 PolarHBondContact O-N 2.99Å; D188-K192 WeakPolarHBondContact O-CB 3.27Å; D188-K192 PolarHBondContact O-N 3.1Å; D188-Y214 PolarHBondContact OD1-OH 3.28Å
189D94.9Very high94.5Very high16 Ų1651.8 Ų51.89%0.08626%0.264CS..Hα-helixtrans-58-46.4174.5-72.9-27.1000110.6R155 Q185 V186 K192 I193R155-D189 IonicContact CZ-OD2 3.26Å; R155-D189 IonicContact NE-OD2 2.99Å; R155-D189 IonicContact NH1-OD2 2.75Å; Q185-D189 VanDerWaalsContact O-CG 3.32Å; Q185-D189 PolarHBondContact O-N 3.22Å; V186-D189 PolarHBondContact O-N 2.87Å; D189-K192 PolarHBondContact O-N 3.25Å; D189-I193 WeakPolarHBondContact O-CB 3.46Å; D189-I193 VanDerWaalsContact O-CD1 3.3Å; D189-I193 WeakPolarHBondContact O-CD1 3.38Å; D189-I193 WeakPolarHBondContact O-CG1 3.33Å; D189-I193 PolarHBondContact O-N 2.69Å
190L96.6Very high94.9Very high0 Ų047.9 Ų47.90%024%0.243CC..Hα-helixtrans-63.8-42.8177.4-71173000112.4F32 I86 I158 V186 M187 D188 I193 N194 I201 I203F32-L190 HydrophobicContact CE2-CB 4.09Å; F32-L190 HydrophobicContact CZ-CB 4.34Å; I86-L190 HydrophobicContact CD1-CD2 3.8Å; I158-L190 HydrophobicContact CD1-CD2 4.2Å; I158-L190 HydrophobicContact CD1-CG 4.26Å; I158-L190 HydrophobicContact CG1-CD2 4.19Å; I158-L190 HydrophobicContact CG2-CD2 4.48Å; V186-L190 WeakPolarHBondContact O-CG 3.25Å; V186-L190 PolarHBondContact O-N 3.05Å; V186-L190 VanDerWaalsContact O-N 3.1Å; M187-L190 PolarHBondContact O-N 2.86Å; M187-L190 HydrophobicContact SD-CD1 4.27Å; D188-L190 VanDerWaalsContact C-N 3.33Å; D188-L190 PolarHBondContact O-N 3.01Å; L190-I193 PolarHBondContact O-N 2.82Å; L190-N194 PolarHBondContact O-N 3.37Å; L190-I201 HydrophobicContact CB-CD1 4.1Å; L190-I201 HydrophobicContact CD2-CD1 4.26Å; L190-I201 VanDerWaalsContact O-CD1 3.23Å; L190-I201 WeakPolarHBondContact O-CD1 3.05Å; L190-I203 HydrophobicContact CD1-CD1 4.11Å
191R96.8Very high95.3Very high62 Ų6244.5 Ų44.523%0.23422%0.221CC..Hα-helixtrans-61.2-46.6177.3-167.3-170.1-60176.7-1110.7M187 D188 I193 N194 Q195 E213 Y214M187-R191 WeakPolarHBondContact O-CB 3.41Å; M187-R191 PolarHBondContact O-N 3.23Å; D188-R191 PolarHBondContact O-N 2.99Å; R191-I193 PolarHBondContact O-N 3.13Å; R191-N194 PolarHBondContact O-N 3.28Å; R191-Q195 WeakPolarHBondContact O-CG 3.31Å; R191-Q195 PolarHBondContact O-N 2.93Å; R191-E213 IonicContact NH2-OE1 3.3Å; R191-E213 PolarHBondContact NH2-OE1 2.95Å; R191-Y214 HydrophobicContact CB-CD1 4.14Å; R191-Y214 VanDerWaalsContact CZ-CD1 3.44Å; R191-Y214 VanDerWaalsContact NH2-CG 3.34Å
192K96.1Very high95.6Very high92 Ų9238.9 Ų38.940%0.419%0.192SC..Hα-helixtrans-59.5-46.7176.7-175.5-178.6-179.9-175.60111.3D188 D189 N194 Q195 E196D188-K192 WeakPolarHBondContact O-CB 3.27Å; D188-K192 PolarHBondContact O-N 3.1Å; D189-K192 PolarHBondContact O-N 3.25Å; K192-N194 PolarHBondContact O-N 2.73Å; K192-Q195 PolarHBondContact O-N 2.84Å; K192-E196 WeakPolarHBondContact CE-OE1 3.36Å; K192-E196 WeakPolarHBondContact CE-OE2 3.47Å; K192-E196 HydrophobicContact CG-CG 4.11Å; K192-E196 WeakPolarHBondContact CG-OE1 3.45Å; K192-E196 IonicContact NZ-OE1 2.62Å; K192-E196 VanDerWaalsContact O-CB 3.3Å; K192-E196 WeakPolarHBondContact O-CB 3.44Å; K192-E196 WeakPolarHBondContact O-CG 3.4Å; K192-E196 PolarHBondContact O-N 3.11Å
193I95.9Very high95.9Very high9 Ų937.9 Ų37.95%0.04619%0.186CC..Hα-helixtrans-57.9-46.9176.3-73.8161.1000111.5I158 L162 I169 D189 L190 R191 L197 I199I158-I193 HydrophobicContact CG2-CD1 3.38Å; L162-I193 HydrophobicContact CD1-CD1 3.78Å; L162-I193 HydrophobicContact CD1-CG1 4.18Å; L162-I193 HydrophobicContact CD2-CD1 4.17Å; L162-I193 HydrophobicContact CD2-CG1 4.22Å; L162-I193 HydrophobicContact CD2-CG2 3.71Å; L162-I193 HydrophobicContact CG-CD1 4.28Å; I169-I193 HydrophobicContact CD1-CG2 4.13Å; D189-I193 WeakPolarHBondContact O-CB 3.46Å; D189-I193 VanDerWaalsContact O-CD1 3.3Å; D189-I193 WeakPolarHBondContact O-CD1 3.38Å; D189-I193 WeakPolarHBondContact O-CG1 3.33Å; D189-I193 PolarHBondContact O-N 2.69Å; L190-I193 PolarHBondContact O-N 2.82Å; R191-I193 PolarHBondContact O-N 3.13Å; I193-L197 HydrophobicContact CG2-CD1 4.39Å; I193-L197 VanDerWaalsContact O-CB 3.28Å; I193-L197 WeakPolarHBondContact O-CB 3.16Å; I193-L197 PolarHBondContact O-N 2.82Å; I193-I199 HydrophobicContact CG2-CB 4.45Å; I193-I199 HydrophobicContact CG2-CD1 3.92Å
194N97.6Very high96Very high14 Ų1437.9 Ų37.98%0.07519%0.185CC..Hα-helixtrans-60.1-49.5177.8167.6-104.3000111.6G30 F32 L190 R191 K192 G198 I199 I201G30-N194 PolarHBondContact O-ND2 3.28Å; F32-N194 HydrophobicContact CD2-CB 3.91Å; L190-N194 PolarHBondContact O-N 3.37Å; R191-N194 PolarHBondContact O-N 3.28Å; K192-N194 PolarHBondContact O-N 2.73Å; N194-G198 WeakPolarHBondContact O-CA 3.44Å; N194-G198 PolarHBondContact O-N 2.79Å; N194-I199 PolarHBondContact ND2-O 2.86Å; N194-I201 HydrophobicContact CB-CD1 3.75Å; N194-I201 HydrophobicContact CB-CG1 4.13Å
195Q96.3Very high96Very high142 Ų14233.8 Ų33.866%0.66417%0.168SC*.Hα-helixtrans-70.5-42.1-175.8-69.8178.2-12.400113.1R191 K192R191-Q195 WeakPolarHBondContact O-CG 3.31Å; R191-Q195 PolarHBondContact O-N 2.93Å; K192-Q195 PolarHBondContact O-N 2.84Å
196E95.9Very high95.4Very high115 Ų11533.2 Ų33.254%0.53717%0.165SC..Hα-helixtrans-79.2-35.6-176.7-68.9-176.9174.400113K192K192-E196 WeakPolarHBondContact CE-OE1 3.36Å; K192-E196 WeakPolarHBondContact CE-OE2 3.47Å; K192-E196 HydrophobicContact CG-CG 4.11Å; K192-E196 WeakPolarHBondContact CG-OE1 3.45Å; K192-E196 IonicContact NZ-OE1 2.62Å; K192-E196 VanDerWaalsContact O-CB 3.3Å; K192-E196 WeakPolarHBondContact O-CB 3.44Å; K192-E196 WeakPolarHBondContact O-CG 3.4Å; K192-E196 PolarHBondContact O-N 3.11Å
197L95.4Very high95.1Very high74 Ų7435 Ų3539%0.38717%0.172SC..Hα-helixtrans-104.7-9-174.3-55-178.2000113.5L162 I193 I199L162-L197 HydrophobicContact CD2-CD1 4.06Å; I193-L197 HydrophobicContact CG2-CD1 4.39Å; I193-L197 VanDerWaalsContact O-CB 3.28Å; I193-L197 WeakPolarHBondContact O-CB 3.16Å; I193-L197 PolarHBondContact O-N 2.82Å; L197-I199 HydrophobicContact CB-CD1 3.85Å; L197-I199 HydrophobicContact CB-CG1 3.84Å; L197-I199 HydrophobicContact CD1-CD1 3.82Å; L197-I199 HydrophobicContact CG-CD1 4.49Å; L197-I199 PolarHBondContact O-N 2.93Å
198G96Very high94.7Very high31 Ų3135 Ų3532%0.3217%0.172SC..  trans64.523.6-176.100000113.4N194N194-G198 WeakPolarHBondContact O-CA 3.44Å; N194-G198 PolarHBondContact O-N 2.79Å
199I97.1Very high94.5Very high16 Ų1634.2 Ų34.28%0.08217%0.168CC..  trans-75.8131.2178.3-68.8173.6000108.7L162 I169 I193 N194 L197L162-I199 HydrophobicContact CD2-CD1 3.98Å; I169-I199 HydrophobicContact CB-CG2 4.28Å; I169-I199 HydrophobicContact CD1-CG2 3.77Å; I169-I199 HydrophobicContact CG1-CG2 3.72Å; I193-I199 HydrophobicContact CG2-CB 4.45Å; I193-I199 HydrophobicContact CG2-CD1 3.92Å; N194-I199 PolarHBondContact ND2-O 2.86Å; L197-I199 HydrophobicContact CB-CD1 3.85Å; L197-I199 HydrophobicContact CB-CG1 3.84Å; L197-I199 HydrophobicContact CD1-CD1 3.82Å; L197-I199 HydrophobicContact CG-CD1 4.49Å; L197-I199 PolarHBondContact O-N 2.93Å
200T97.9Very high94.3Very high0 Ų033.6 Ų33.60%017%0.165CC..EExtended strand (participates in β ladder)trans-75.5131.8175.3-55.60000110Q3 I27 K29 G30 E31 E167 I168 I169Q3-T200 PolarHBondContact OE1-OG1 3.03Å; I27-T200 HydrophobicContact CG2-CG2 3.66Å; K29-T200 WeakPolarHBondContact CA-OG1 3.23Å; G30-T200 PolarHBondContact N-OG1 3.28Å; E31-T200 WeakPolarHBondContact O-CA 3.36Å; E167-T200 PolarHBondContact O-N 2.75Å; I168-T200 CarbonylContact C-O 3.48Å; I168-T200 WeakPolarHBondContact CA-O 3.4Å; I169-T200 PolarHBondContact N-O 2.94Å
201I98Very high94.2Very high0 Ų033.6 Ų33.60%017%0.165CC..EExtended strand (participates in β ladder)trans-117.6120179.5-58.6-169.3000108.7E31 F32 A33 I169 L190 N194 I203E31-I201 PolarHBondContact O-N 3.44Å; F32-I201 HydrophobicContact CD2-CB 4.05Å; F32-I201 HydrophobicContact CD2-CD1 3.99Å; F32-I201 HydrophobicContact CD2-CG1 4.39Å; F32-I201 HydrophobicContact CD2-CG2 4.36Å; F32-I201 HydrophobicContact CE1-CG2 4.42Å; F32-I201 HydrophobicContact CE2-CB 4.27Å; F32-I201 HydrophobicContact CE2-CD1 3.79Å; F32-I201 HydrophobicContact CE2-CG2 4.13Å; F32-I201 HydrophobicContact CG-CB 4.29Å; F32-I201 HydrophobicContact CZ-CG2 4.15Å; A33-I201 PolarHBondContact N-O 3Å; I169-I201 HydrophobicContact CB-CG1 4.31Å; I169-I201 WeakPolarHBondContact O-CA 3.39Å; L190-I201 HydrophobicContact CB-CD1 4.1Å; L190-I201 HydrophobicContact CD2-CD1 4.26Å; L190-I201 VanDerWaalsContact O-CD1 3.23Å; L190-I201 WeakPolarHBondContact O-CD1 3.05Å; N194-I201 HydrophobicContact CB-CD1 3.75Å; N194-I201 HydrophobicContact CB-CG1 4.13Å; I201-I203 HydrophobicContact CG2-CB 4.2Å; I201-I203 HydrophobicContact CG2-CG2 4.4Å
202L97.7Very high94Very high0 Ų034 Ų340%017%0.169CC..EExtended strand (participates in β ladder)trans-109.3114.6166.6-178.659.7000108.3I27 A33 I35 L47 V50 I169 L170 A171 I219I27-L202 HydrophobicContact CD1-CB 4.31Å; I27-L202 HydrophobicContact CD1-CD1 3.49Å; I27-L202 VanDerWaalsContact CD1-CD1 3.49Å; I27-L202 HydrophobicContact CD1-CD2 3.77Å; I27-L202 HydrophobicContact CD1-CG 4.04Å; A33-L202 HydrophobicContact CB-CD1 3.94Å; A33-L202 WeakPolarHBondContact O-CA 3.27Å; I35-L202 HydrophobicContact CD1-CD1 3.48Å; I35-L202 VanDerWaalsContact CD1-CD1 3.48Å; I35-L202 HydrophobicContact CD1-CD2 3.96Å; I35-L202 HydrophobicContact CD1-CG 3.76Å; I35-L202 HydrophobicContact CG1-CD1 3.69Å; I35-L202 HydrophobicContact CG1-CG 4.48Å; L47-L202 HydrophobicContact CD1-CG 4.31Å; L47-L202 WeakPolarHBondContact CD1-O 3.24Å; V50-L202 HydrophobicContact CG2-CD2 4.22Å; I169-L202 PolarHBondContact O-N 2.9Å; L170-L202 CarbonylContact C-O 3.58Å; L170-L202 WeakPolarHBondContact CA-O 3.31Å; L170-L202 HydrophobicContact CD2-CB 3.83Å; L170-L202 HydrophobicContact CD2-CD2 4.14Å; L170-L202 HydrophobicContact CD2-CG 4.46Å; A171-L202 PolarHBondContact N-O 3.49Å; L202-I219 HydrophobicContact CD1-CD1 4.17Å
203I97.3Very high93.9Very high0 Ų033.7 Ų33.70%017%0.169CC..EExtended strand (participates in β ladder)trans-127133.8-172.1-176.6170000111.4F32 A33 V34 I35 A171 P174 M187 L190 I201 L205F32-I203 HydrophobicContact CD1-CG2 4.25Å; F32-I203 HydrophobicContact CE1-CG2 3.62Å; F32-I203 HydrophobicContact CZ-CG2 4.36Å; A33-I203 PolarHBondContact O-N 2.97Å; V34-I203 CarbonylContact C-O 3.54Å; V34-I203 WeakPolarHBondContact CA-O 3.46Å; V34-I203 HydrophobicContact CB-CG2 4.24Å; V34-I203 HydrophobicContact CG1-CG2 4.28Å; V34-I203 HydrophobicContact CG2-CG2 3.8Å; I35-I203 PolarHBondContact N-O 3.21Å; A171-I203 HydrophobicContact CB-CB 4.03Å; A171-I203 HydrophobicContact CB-CD1 4.1Å; A171-I203 HydrophobicContact CB-CG1 3.74Å; A171-I203 CarbonylContact O-C 3.54Å; A171-I203 WeakPolarHBondContact O-CA 3.34Å; P174-I203 HydrophobicContact CG-CD1 3.43Å; P174-I203 VanDerWaalsContact CG-CD1 3.43Å; P174-I203 HydrophobicContact CG-CG1 3.96Å; M187-I203 HydrophobicContact CE-CD1 4Å; M187-I203 HydrophobicContact SD-CD1 3.81Å; L190-I203 HydrophobicContact CD1-CD1 4.11Å; I201-I203 HydrophobicContact CG2-CB 4.2Å; I201-I203 HydrophobicContact CG2-CG2 4.4Å; I203-L205 HydrophobicContact CD1-CD2 3.66Å; I203-L205 HydrophobicContact CD1-CG 4.08Å; I203-L205 HydrophobicContact CG1-CD2 3.92Å; I203-L205 HydrophobicContact CG1-CG 4Å; I203-L205 HydrophobicContact CG2-CG 4.47Å
204N95.6Very high93.8Very high0 Ų033.6 Ų33.60%017%0.168CC..EExtended strand (participates in β ladder)trans-88.4124.7167.4-64.3-15.9000108.7I35 K43 S44 L47 A171 D172 E173I35-N204 VanDerWaalsContact CB-OD1 3.25Å; I35-N204 WeakPolarHBondContact CB-OD1 3.43Å; I35-N204 WeakPolarHBondContact CD1-OD1 3.27Å; K43-N204 VanDerWaalsContact C-ND2 3.27Å; K43-N204 PolarHBondContact O-ND2 2.71Å; S44-N204 PolarHBondContact N-ND2 3.46Å; L47-N204 HydrophobicContact CD1-CB 4.43Å; L47-N204 WeakPolarHBondContact CD1-OD1 3.33Å; A171-N204 PolarHBondContact O-N 2.86Å; D172-N204 PolarHBondContact OD1-ND2 3.14Å; E173-N204 WeakPolarHBondContact CA-O 3.4Å; E173-N204 HydrophobicContact CG-CB 4.31Å; E173-N204 PolarHBondContact N-O 2.79Å
205L92Very high93.7Very high1 Ų133.4 Ų33.41%0.00517%0.169CC..  trans-122.3145.5174.7-67.7179.5000111.2V34 I35 V175 M187 I203 L210 A211V34-L205 HydrophobicContact CG1-CB 3.89Å; V34-L205 HydrophobicContact CG1-CD1 3.7Å; V34-L205 HydrophobicContact CG1-CG 3.85Å; V34-L205 HydrophobicContact CG2-CD1 4.4Å; I35-L205 PolarHBondContact O-N 2.97Å; I35-L205 VanDerWaalsContact O-N 3.14Å; V175-L205 HydrophobicContact CG2-CD2 4.06Å; M187-L205 HydrophobicContact CE-CD1 3.87Å; M187-L205 HydrophobicContact CE-CD2 4.35Å; M187-L205 HydrophobicContact SD-CD2 4.17Å; I203-L205 HydrophobicContact CD1-CD2 3.66Å; I203-L205 HydrophobicContact CD1-CG 4.08Å; I203-L205 HydrophobicContact CG1-CD2 3.92Å; I203-L205 HydrophobicContact CG1-CG 4Å; I203-L205 HydrophobicContact CG2-CG 4.47Å; L205-L210 HydrophobicContact CD1-CB 3.89Å; L205-A211 HydrophobicContact CD1-CB 4.43Å
206H82Confident93.7Very high63 Ų6330.2 Ų30.229%0.29216%0.16SC..SBendtrans-86.6-37.1171-172-89000111.7
207F86.2Confident93.7Very high37 Ų3726.8 Ų26.816%0.16214%0.142CC..  trans-89.3125.6-171.8-54.5-71.8000111.9D209 L210 A211 D251 E252 L254F207-D209 PolarHBondContact O-N 3.49Å; F207-L210 HydrophobicContact CB-CB 4.36Å; F207-L210 HydrophobicContact CB-CD1 4.03Å; F207-L210 HydrophobicContact CB-CG 4.11Å; F207-L210 HydrophobicContact CD2-CD1 3.86Å; F207-L210 HydrophobicContact CG-CD1 4.35Å; F207-L210 PolarHBondContact O-N 3.1Å; F207-A211 PolarHBondContact O-N 3.5Å; F207-D251 WeakPolarHBondContact CE1-O 3.28Å; F207-E252 VanDerWaalsContact CA-O 3.32Å; F207-E252 WeakPolarHBondContact CA-O 3.45Å; F207-L254 HydrophobicContact CB-CB 4.5Å; F207-L254 HydrophobicContact CB-CD1 4.35Å; F207-L254 HydrophobicContact CD1-CB 4.44Å; F207-L254 HydrophobicContact CD1-CD1 3.74Å; F207-L254 HydrophobicContact CD2-CD1 3.37Å; F207-L254 HydrophobicContact CE1-CD1 3.77Å; F207-L254 HydrophobicContact CE2-CD1 3.39Å; F207-L254 HydrophobicContact CG-CB 4.38Å; F207-L254 HydrophobicContact CG-CD1 3.53Å; F207-L254 HydrophobicContact CZ-CD1 3.6Å
208V88.7Confident93.7Very high0 Ų023.2 Ų23.20%012%0.123CC..Hα-helixtrans-64.4-41.3-178.7174.20000111.3L210 A211 K212 F240 Y244 I248 E252V208-L210 VanDerWaalsContact C-N 3.33Å; V208-L210 PolarHBondContact O-N 3.48Å; V208-A211 WeakPolarHBondContact O-CB 3.32Å; V208-A211 PolarHBondContact O-N 3.2Å; V208-A211 VanDerWaalsContact O-N 3.1Å; V208-K212 HydrophobicContact CG1-CD 4.25Å; V208-K212 HydrophobicContact CG1-CG 4.44Å; V208-K212 PolarHBondContact O-N 3.04Å; V208-F240 HydrophobicContact CB-CD1 4.31Å; V208-F240 HydrophobicContact CB-CE1 4.37Å; V208-F240 HydrophobicContact CG1-CB 4.37Å; V208-F240 HydrophobicContact CG1-CD1 3.75Å; V208-F240 HydrophobicContact CG1-CD2 3.59Å; V208-F240 HydrophobicContact CG1-CE1 3.81Å; V208-F240 HydrophobicContact CG1-CE2 3.72Å; V208-F240 HydrophobicContact CG1-CG 3.62Å; V208-F240 HydrophobicContact CG1-CZ 3.81Å; V208-F240 HydrophobicContact CG2-CD1 3.76Å; V208-F240 HydrophobicContact CG2-CE1 4.15Å; V208-F240 HydrophobicContact CG2-CG 4.17Å; V208-Y244 HydrophobicContact CG2-CE2 3.64Å; V208-I248 HydrophobicContact CG1-CD1 4.35Å; V208-I248 HydrophobicContact CG2-CD1 4.43Å; V208-I248 HydrophobicContact CG2-CG2 4.18Å; V208-E252 PolarHBondContact N-O 3.19Å
209D89.8Confident93.8Very high46 Ų4621.8 Ų21.825%0.24611%0.108CC..Hα-helixtrans-61.6-43.2-177.1-49-32.5000111F207 A211 K212 E213 K253 L254F207-D209 PolarHBondContact O-N 3.49Å; D209-A211 VanDerWaalsContact C-N 3.35Å; D209-A211 PolarHBondContact O-N 2.77Å; D209-K212 PolarHBondContact O-N 3.06Å; D209-E213 WeakPolarHBondContact O-CB 3.48Å; D209-E213 PolarHBondContact O-N 3.49Å; D209-K253 WeakPolarHBondContact OD2-CA 3.38Å; D209-K253 VanDerWaalsContact OD2-CB 3.26Å; D209-K253 WeakPolarHBondContact OD2-CB 3.41Å; D209-L254 PolarHBondContact OD2-N 3.09Å
210L92.4Very high93.7Very high4 Ų421 Ų212%0.02110%0.104CC..Hα-helixtrans-66.8-37.2175.9-63.9178.8000111.9V175 T183 L205 F207 V208 K212 E213 Y214 L254V175-L210 HydrophobicContact CG2-CD1 4.06Å; T183-L210 HydrophobicContact CG2-CD1 3.48Å; T183-L210 VanDerWaalsContact CG2-CD1 3.48Å; T183-L210 HydrophobicContact CG2-CD2 4.24Å; L205-L210 HydrophobicContact CD1-CB 3.89Å; F207-L210 HydrophobicContact CB-CB 4.36Å; F207-L210 HydrophobicContact CB-CD1 4.03Å; F207-L210 HydrophobicContact CB-CG 4.11Å; F207-L210 HydrophobicContact CD2-CD1 3.86Å; F207-L210 HydrophobicContact CG-CD1 4.35Å; F207-L210 PolarHBondContact O-N 3.1Å; V208-L210 VanDerWaalsContact C-N 3.33Å; V208-L210 PolarHBondContact O-N 3.48Å; L210-K212 VanDerWaalsContact C-N 3.32Å; L210-K212 PolarHBondContact O-N 3.38Å; L210-E213 PolarHBondContact O-N 2.74Å; L210-Y214 HydrophobicContact CB-CD2 4.44Å; L210-Y214 HydrophobicContact CD2-CD2 4.21Å; L210-Y214 HydrophobicContact CD2-CE2 3.76Å; L210-Y214 WeakPolarHBondContact O-CD2 3.3Å; L210-Y214 PolarHBondContact O-N 2.85Å; L210-L254 HydrophobicContact CD1-CD1 4.33Å; L210-L254 HydrophobicContact CD1-CD2 4.39Å; L210-L254 HydrophobicContact CD2-CD2 4.3Å
211A93.4Very high93.6Very high0 Ų021 Ų210%010%0.104CC..Hα-helixtrans-60.9-45.1176.600000110.9V34 V36 L205 F207 V208 D209 G215 I218 F240V34-A211 HydrophobicContact CB-CB 4.44Å; V34-A211 HydrophobicContact CG1-CB 3.75Å; V36-A211 HydrophobicContact CG1-CB 3.76Å; L205-A211 HydrophobicContact CD1-CB 4.43Å; F207-A211 PolarHBondContact O-N 3.5Å; V208-A211 WeakPolarHBondContact O-CB 3.32Å; V208-A211 PolarHBondContact O-N 3.2Å; V208-A211 VanDerWaalsContact O-N 3.1Å; D209-A211 VanDerWaalsContact C-N 3.35Å; D209-A211 PolarHBondContact O-N 2.77Å; A211-G215 VanDerWaalsContact O-CA 3.28Å; A211-G215 WeakPolarHBondContact O-CA 3.41Å; A211-G215 PolarHBondContact O-N 3.4Å; A211-I218 HydrophobicContact CB-CD1 3.91Å; A211-I218 WeakPolarHBondContact O-CD1 3.32Å; A211-F240 HydrophobicContact CB-CE1 4.42Å; A211-F240 HydrophobicContact CB-CZ 4.28Å
212K92.6Very high93.3Very high70 Ų7025.3 Ų25.330%0.30412%0.12SC..Hα-helixtrans-68.9-39.6177.3-68.1-178-178.7-174.60113.2V208 D209 L210 A235 D237 F240V208-K212 HydrophobicContact CG1-CD 4.25Å; V208-K212 HydrophobicContact CG1-CG 4.44Å; V208-K212 PolarHBondContact O-N 3.04Å; D209-K212 PolarHBondContact O-N 3.06Å; L210-K212 VanDerWaalsContact C-N 3.32Å; L210-K212 PolarHBondContact O-N 3.38Å; K212-A235 VanDerWaalsContact CE-O 3.22Å; K212-A235 WeakPolarHBondContact CE-O 3.17Å; K212-D237 IonicContact NZ-OD1 2.71Å; K212-D237 PolarHBondContact NZ-OD1 3.1Å; K212-F240 HydrophobicContact CD-CE2 4.05Å; K212-F240 VanDerWaalsContact CE-CD2 3.43Å; K212-F240 HydrophobicContact CG-CE2 3.69Å; K212-F240 HydrophobicContact CG-CZ 4.02Å
213E93.6Very high93.1Very high85 Ų8530.6 Ų30.640%0.39715%0.148SC..Hα-helixtrans-73.4-39.6-175.3-166.8-159.9145.700112.5R191 D209 L210R191-E213 IonicContact NH2-OE1 3.3Å; R191-E213 PolarHBondContact NH2-OE1 2.95Å; D209-E213 WeakPolarHBondContact O-CB 3.48Å; D209-E213 PolarHBondContact O-N 3.49Å; L210-E213 PolarHBondContact O-N 2.74Å
214Y95.1Very high92.9Very high7 Ų730.6 Ų30.63%0.02715%0.149CC..Hα-helixtrans-104-25.6-173.4-65.7-99000113.5F32 K184 M187 D188 R191 L210F32-Y214 WeakPolarHBondContact CD1-O 3.24Å; K184-Y214 WeakPolarHBondContact CG-OH 3.5Å; M187-Y214 HydrophobicContact CB-CD1 3.56Å; M187-Y214 HydrophobicContact CB-CD2 4.11Å; M187-Y214 HydrophobicContact CB-CE1 3.19Å; M187-Y214 HydrophobicContact CB-CE2 3.8Å; M187-Y214 HydrophobicContact CB-CG 4.04Å; M187-Y214 HydrophobicContact CE-CD1 3.94Å; M187-Y214 HydrophobicContact CE-CD2 3.89Å; M187-Y214 HydrophobicContact CE-CG 3.54Å; M187-Y214 HydrophobicContact CG-CE1 4.47Å; M187-Y214 HydrophobicContact CG-CE2 4.42Å; M187-Y214 WeakPolarHBondContact O-CD1 3.49Å; M187-Y214 WeakPolarHBondContact O-CE1 3.49Å; D188-Y214 PolarHBondContact OD1-OH 3.28Å; R191-Y214 HydrophobicContact CB-CD1 4.14Å; R191-Y214 VanDerWaalsContact CZ-CD1 3.44Å; R191-Y214 VanDerWaalsContact NH2-CG 3.34Å; L210-Y214 HydrophobicContact CB-CD2 4.44Å; L210-Y214 HydrophobicContact CD2-CD2 4.21Å; L210-Y214 HydrophobicContact CD2-CE2 3.76Å; L210-Y214 WeakPolarHBondContact O-CD2 3.3Å; L210-Y214 PolarHBondContact O-N 2.85Å
215G94.6Very high92.9Very high10 Ų1035.1 Ų35.110%0.10317%0.17CC..  trans-72.7135.7-176.900000112.3V34 A211 A232V34-G215 VanDerWaalsContact CG2-CA 3.49Å; A211-G215 VanDerWaalsContact O-CA 3.28Å; A211-G215 WeakPolarHBondContact O-CA 3.41Å; A211-G215 PolarHBondContact O-N 3.4Å; G215-A232 WeakPolarHBondContact O-CB 3.1Å
216T95.3Very high93.1Very high76 Ų7637.2 Ų37.247%0.46618%0.183SC..SBendtrans-85.2-28.4162.455.40000111.2F32 A232F32-T216 HydrophobicContact CB-CG2 4.18Å; F32-T216 PolarHBondContact N-OG1 3.06Å; F32-T216 PolarHBondContact O-N 3.48Å; F32-T216 PolarHBondContact O-OG1 3.35Å; T216-A232 PolarHBondContact O-N 3.36Å; T216-A232 VanDerWaalsContact O-N 3.13Å
217R96.6Very high93.7Very high42 Ų4236.3 Ų36.316%0.15818%0.181CC..EExtended strand (participates in β ladder)trans-142.8140.2-177.7-174.4176.5-179.9179.2-4.7109.8N26 E31 F32 V34 D229 G230N26-R217 PolarHBondContact O-NH1 2.97Å; N26-R217 PolarHBondContact O-NH2 3.2Å; E31-R217 IonicContact OE1-NH1 2.98Å; E31-R217 PolarHBondContact OE1-NH1 3.29Å; E31-R217 IonicContact OE2-NH1 3.79Å; E31-R217 PolarHBondContact OE2-NH1 3.28Å; F32-R217 PolarHBondContact O-N 2.88Å; V34-R217 PolarHBondContact N-O 3.36Å; R217-D229 IonicContact CZ-OD1 2.84Å; R217-D229 IonicContact CZ-OD2 2.73Å; R217-D229 IonicContact NE-OD1 3.99Å; R217-D229 PolarHBondContact NE-OD1 3.35Å; R217-D229 IonicContact NH2-OD1 2.69Å; R217-D229 PolarHBondContact NH2-OD1 2.95Å; R217-D229 IonicContact NH2-OD2 3.16Å; R217-D229 PolarHBondContact NH2-OD2 2.91Å; R217-G230 CarbonylContact C-O 3.52Å; R217-G230 WeakPolarHBondContact CA-O 3.37Å; R217-G230 WeakPolarHBondContact CG-O 3.37Å
218I96.8Very high94.2Very high0 Ų036.5 Ų36.50%018%0.181CC..EExtended strand (participates in β ladder)trans-112.1132.6177-56.2-59.1000109V34 V36 A211 Y228 G230 A232 A235 F240V34-I218 HydrophobicContact CB-CD1 3.83Å; V34-I218 HydrophobicContact CG1-CD1 4.48Å; V34-I218 HydrophobicContact CG2-CD1 4.29Å; V34-I218 CarbonylContact O-C 3.56Å; V34-I218 WeakPolarHBondContact O-CA 3.41Å; V36-I218 HydrophobicContact CG1-CG2 4.49Å; V36-I218 HydrophobicContact CG2-CG2 3.49Å; V36-I218 VanDerWaalsContact CG2-CG2 3.49Å; A211-I218 HydrophobicContact CB-CD1 3.91Å; A211-I218 WeakPolarHBondContact O-CD1 3.32Å; I218-Y228 HydrophobicContact CB-CD1 4.17Å; I218-Y228 HydrophobicContact CB-CE1 3.88Å; I218-Y228 HydrophobicContact CG2-CD1 4.08Å; I218-Y228 HydrophobicContact CG2-CE1 4.24Å; I218-Y228 WeakPolarHBondContact O-CD1 3.42Å; I218-G230 PolarHBondContact N-O 3.15Å; I218-G230 PolarHBondContact O-N 3.08Å; I218-G230 VanDerWaalsContact O-N 3.15Å; I218-A232 HydrophobicContact CD1-CB 4.1Å; I218-A232 HydrophobicContact CG1-CB 3.84Å; I218-A235 HydrophobicContact CB-CB 4.32Å; I218-A235 HydrophobicContact CG1-CB 3.92Å; I218-F240 HydrophobicContact CG1-CZ 4.4Å; I218-F240 HydrophobicContact CG2-CE1 4.36Å; I218-F240 HydrophobicContact CG2-CZ 4.26Å
219I96.8Very high94.6Very high0 Ų039.7 Ų39.70%020%0.199CC..EExtended strand (participates in β ladder)trans-117.2105.1174.5-58.9158.6000107L25 I27 A33 V34 I35 V36 L202 L221 V226 Y228L25-I219 HydrophobicContact CD1-CD1 3.96Å; L25-I219 HydrophobicContact CD1-CG1 4.11Å; L25-I219 HydrophobicContact CD2-CD1 3.72Å; L25-I219 HydrophobicContact CD2-CG2 4.34Å; L25-I219 HydrophobicContact CG-CD1 4.43Å; I27-I219 HydrophobicContact CD1-CD1 4.2Å; A33-I219 HydrophobicContact CB-CD1 4.13Å; V34-I219 PolarHBondContact O-N 3.13Å; I35-I219 VanDerWaalsContact CA-O 3.31Å; I35-I219 WeakPolarHBondContact CA-O 3.47Å; I35-I219 HydrophobicContact CG1-CB 4.18Å; I35-I219 HydrophobicContact CG1-CD1 4.28Å; I35-I219 HydrophobicContact CG1-CG2 4.47Å; V36-I219 PolarHBondContact N-O 3.26Å; L202-I219 HydrophobicContact CD1-CD1 4.17Å; I219-L221 HydrophobicContact CG2-CD1 3.93Å; I219-V226 HydrophobicContact CG2-CG1 4.27Å; I219-V226 HydrophobicContact CG2-CG2 4.02Å; I219-Y228 CarbonylContact C-O 3.57Å; I219-Y228 WeakPolarHBondContact CA-O 3.24Å
220G95.8Very high94.9Very high0 Ų038 Ų380%019%0.192CC..EExtended strand (participates in β ladder)trans-86.2121.3177.900000111.3V226 V227 Y228G220-V226 CarbonylContact O-C 3.54Å; G220-V226 WeakPolarHBondContact O-CA 3.4Å; G220-V227 WeakPolarHBondContact O-CG2 3.41Å; G220-V227 PolarHBondContact O-N 3.36Å; G220-Y228 PolarHBondContact N-O 2.98Å; G220-Y228 PolarHBondContact O-N 3.45Å
221L95.2Very high95Very high0 Ų040.2 Ų40.20%021%0.206CC..EExtended strand (participates in β ladder)trans-106.4136.7172-89.398.7000112.5L20 I35 V36 G37 A41 L46 I219 E225 V226L20-L221 HydrophobicContact CD2-CD2 4.03Å; I35-L221 HydrophobicContact CG2-CD1 3.54Å; V36-L221 PolarHBondContact O-N 3.31Å; G37-L221 WeakPolarHBondContact CA-O 3.4Å; A41-L221 HydrophobicContact CB-CB 4.31Å; A41-L221 WeakPolarHBondContact CB-O 3.37Å; L46-L221 HydrophobicContact CD2-CD1 3.62Å; L46-L221 HydrophobicContact CD2-CD2 4.25Å; I219-L221 HydrophobicContact CG2-CD1 3.93Å; L221-E225 VanDerWaalsContact CA-O 3.27Å; L221-E225 WeakPolarHBondContact CA-O 3.18Å; L221-V226 HydrophobicContact CD1-CG2 4.35Å; L221-V226 HydrophobicContact CG-CG2 4.37Å
222R92.9Very high94.9Very high91 Ų9140.8 Ų40.834%0.34321%0.211SC..EExtended strand (participates in β ladder)trans-140.9128.5170.5-169.6174.367.9-163.11.4109.5G224 E225 V227 E242R222-G224 PolarHBondContact O-N 2.97Å; R222-G224 VanDerWaalsContact O-N 3.08Å; R222-E225 PolarHBondContact N-O 2.8Å; R222-E225 PolarHBondContact O-N 3.35Å; R222-V227 HydrophobicContact CB-CG1 3.79Å; R222-V227 HydrophobicContact CB-CG2 3.95Å; R222-E242 PolarHBondContact NH1-O 3.41Å
223D92.1Very high94.9Very high110 Ų11042.7 Ų42.759%0.58823%0.234SC*.THydrogen-bonded Turntrans49.436.9177.7-58.9-44.8000115.5K21 E225K21-D223 WeakPolarHBondContact CE-O 3.41Å; K21-D223 PolarHBondContact NZ-O 3.19Å; D223-E225 VanDerWaalsContact C-N 3.34Å
224G93.4Very high94.9Very high1 Ų144.6 Ų44.61%0.0124%0.242CC..THydrogen-bonded Turntrans82.63.3-18000000115L20 K21 I23 A41 R222L20-G224 CarbonylContact C-O 3.53Å; L20-G224 WeakPolarHBondContact CA-O 3.14Å; K21-G224 PolarHBondContact N-O 3.4Å; I23-G224 WeakPolarHBondContact CD1-O 3.35Å; A41-G224 WeakPolarHBondContact O-CA 3.24Å; A41-G224 PolarHBondContact O-N 2.98Å; R222-G224 PolarHBondContact O-N 2.97Å; R222-G224 VanDerWaalsContact O-N 3.08Å
225E95.8Very high94.7Very high95 Ų9544.5 Ų44.544%0.44424%0.243SC..EExtended strand (participates in β ladder)trans-111.5148.9180-66.8173.4-167.700110.8K21 L221 R222 D223 V227K21-E225 HydrophobicContact CB-CG 3.64Å; K21-E225 HydrophobicContact CD-CG 3.94Å; K21-E225 WeakPolarHBondContact CD-OE1 3.27Å; K21-E225 HydrophobicContact CG-CG 4.39Å; K21-E225 IonicContact NZ-OE1 3.23Å; L221-E225 VanDerWaalsContact CA-O 3.27Å; L221-E225 WeakPolarHBondContact CA-O 3.18Å; R222-E225 PolarHBondContact N-O 2.8Å; R222-E225 PolarHBondContact O-N 3.35Å; D223-E225 VanDerWaalsContact C-N 3.34Å; E225-V227 PolarHBondContact O-N 2.85Å
226V96.3Very high94.5Very high45 Ų4547.3 Ų47.327%0.27326%0.258SS..EExtended strand (participates in β ladder)trans-81.6112.1169.1171.20000107.6I23 I219 G220 L221 Y228 D229I23-V226 HydrophobicContact CD1-CG2 3.89Å; I23-V226 HydrophobicContact CG2-CG2 4.15Å; I219-V226 HydrophobicContact CG2-CG1 4.27Å; I219-V226 HydrophobicContact CG2-CG2 4.02Å; G220-V226 CarbonylContact O-C 3.54Å; G220-V226 WeakPolarHBondContact O-CA 3.4Å; L221-V226 HydrophobicContact CD1-CG2 4.35Å; L221-V226 HydrophobicContact CG-CG2 4.37Å; V226-Y228 WeakPolarHBondContact CG1-O 3.39Å; V226-D229 HydrophobicContact CG1-CB 4.07Å
227V95.3Very high94.1Very high44 Ų4447 Ų4727%0.26725%0.254SS..EExtended strand (participates in β ladder)trans-99.4-17.5179-65.60000112.6G220 R222 E225 I243G220-V227 WeakPolarHBondContact O-CG2 3.41Å; G220-V227 PolarHBondContact O-N 3.36Å; R222-V227 HydrophobicContact CB-CG1 3.79Å; R222-V227 HydrophobicContact CB-CG2 3.95Å; E225-V227 PolarHBondContact O-N 2.85Å; V227-I243 HydrophobicContact CG2-CB 4.36Å; V227-I243 HydrophobicContact CG2-CG1 4.07Å; V227-I243 HydrophobicContact CG2-CG2 4.31Å
228Y95.9Very high93.8Very high40 Ų4051.1 Ų51.116%0.15728%0.279CS..EExtended strand (participates in β ladder)trans-143.7138.2174.4-179.2-92.3000110.1I218 I219 G220 V226 P231 A235 V239 I243I218-Y228 HydrophobicContact CB-CD1 4.17Å; I218-Y228 HydrophobicContact CB-CE1 3.88Å; I218-Y228 HydrophobicContact CG2-CD1 4.08Å; I218-Y228 HydrophobicContact CG2-CE1 4.24Å; I218-Y228 WeakPolarHBondContact O-CD1 3.42Å; I219-Y228 CarbonylContact C-O 3.57Å; I219-Y228 WeakPolarHBondContact CA-O 3.24Å; G220-Y228 PolarHBondContact N-O 2.98Å; G220-Y228 PolarHBondContact O-N 3.45Å; V226-Y228 WeakPolarHBondContact CG1-O 3.39Å; Y228-P231 PolarHBondContact OH-O 2.85Å; Y228-A235 HydrophobicContact CE1-CB 4.24Å; Y228-V239 HydrophobicContact CD1-CG1 4.17Å; Y228-V239 HydrophobicContact CD2-CG1 3.36Å; Y228-V239 HydrophobicContact CE1-CG1 4.29Å; Y228-V239 HydrophobicContact CE2-CB 4.49Å; Y228-V239 HydrophobicContact CE2-CG1 3.48Å; Y228-V239 VanDerWaalsContact CE2-CG1 3.48Å; Y228-V239 HydrophobicContact CE2-CG2 4.2Å; Y228-V239 HydrophobicContact CG-CG1 3.72Å; Y228-I243 HydrophobicContact CD1-CD1 4.29Å; Y228-I243 HydrophobicContact CG-CD1 4.12Å
229D96.3Very high93.5Very high68 Ų6852.2 Ų52.236%0.36429%0.285SS..EExtended strand (participates in β ladder)trans-148.8105.7173.2-178.18.7000108.6L25 R217 V226L25-D229 WeakPolarHBondContact CD1-OD2 3.33Å; R217-D229 IonicContact CZ-OD1 2.84Å; R217-D229 IonicContact CZ-OD2 2.73Å; R217-D229 IonicContact NE-OD1 3.99Å; R217-D229 PolarHBondContact NE-OD1 3.35Å; R217-D229 IonicContact NH2-OD1 2.69Å; R217-D229 PolarHBondContact NH2-OD1 2.95Å; R217-D229 IonicContact NH2-OD2 3.16Å; R217-D229 PolarHBondContact NH2-OD2 2.91Å; V226-D229 HydrophobicContact CG1-CB 4.07Å
230G95.6Very high93.3Very high11 Ų1152.2 Ų52.211%0.11329%0.285CS..EExtended strand (participates in β ladder)trans-170.2171.3-172.700000113.9R217 I218R217-G230 CarbonylContact C-O 3.52Å; R217-G230 WeakPolarHBondContact CA-O 3.37Å; R217-G230 WeakPolarHBondContact CG-O 3.37Å; I218-G230 PolarHBondContact N-O 3.15Å; I218-G230 PolarHBondContact O-N 3.08Å; I218-G230 VanDerWaalsContact O-N 3.15Å
231P95Very high93Very high49 Ų4953.6 Ų53.632%0.31830%0.295SS..EExtended strand (participates in β ladder)trans-65.3144.717929.1-34.2000110.9Y228 S233 E234Y228-P231 PolarHBondContact OH-O 2.85Å; P231-S233 PolarHBondContact O-N 3.39Å; P231-S233 VanDerWaalsContact O-N 3.13Å; P231-E234 HydrophobicContact CG-CB 4.05Å; P231-E234 VanDerWaalsContact CG-CD 3.42Å; P231-E234 HydrophobicContact CG-CG 3.76Å; P231-E234 PolarHBondContact O-N 2.97Å
232A92.8Very high92.8Very high12 Ų1259.3 Ų59.310%0.09932%0.322CS..G310 helixtrans-61.6-25.5-17800000113.6G215 T216 I218 E234 A235G215-A232 WeakPolarHBondContact O-CB 3.1Å; T216-A232 PolarHBondContact O-N 3.36Å; T216-A232 VanDerWaalsContact O-N 3.13Å; I218-A232 HydrophobicContact CD1-CB 4.1Å; I218-A232 HydrophobicContact CG1-CB 3.84Å; A232-E234 PolarHBondContact O-N 3.42Å; A232-A235 PolarHBondContact O-N 2.97Å
233S91.3Very high92.7Very high111 Ų11155.1 Ų55.178%0.77631%0.306SS*.G310 helixtrans-64.1-22.8174.153.60000114.1P231P231-S233 PolarHBondContact O-N 3.39Å; P231-S233 VanDerWaalsContact O-N 3.13Å
234E93Very high92.5Very high124 Ų12450.2 Ų50.258%0.57928%0.279SS*.G310 helixtrans-99.1-6.5179.2-67.5175.7-162.400112.6P231 A232 T236P231-E234 HydrophobicContact CG-CB 4.05Å; P231-E234 VanDerWaalsContact CG-CD 3.42Å; P231-E234 HydrophobicContact CG-CG 3.76Å; P231-E234 PolarHBondContact O-N 2.97Å; A232-E234 PolarHBondContact O-N 3.42Å; E234-T236 PolarHBondContact O-N 3.45Å
235A91.1Very high92.2Very high5 Ų552.9 Ų52.94%0.04131%0.307CS..  trans-81.780.2179.600000110.9K212 I218 Y228 A232 V239 F240K212-A235 VanDerWaalsContact CE-O 3.22Å; K212-A235 WeakPolarHBondContact CE-O 3.17Å; I218-A235 HydrophobicContact CB-CB 4.32Å; I218-A235 HydrophobicContact CG1-CB 3.92Å; Y228-A235 HydrophobicContact CE1-CB 4.24Å; A232-A235 PolarHBondContact O-N 2.97Å; A235-V239 HydrophobicContact CB-CG1 4.46Å; A235-F240 HydrophobicContact CB-CD2 4.4Å; A235-F240 HydrophobicContact CB-CE2 3.63Å; A235-F240 HydrophobicContact CB-CZ 4.15Å; A235-F240 WeakPolarHBondContact O-CE2 3.28Å
236T90.5Very high91.7Very high70 Ų7052 Ų5243%0.42930%0.3SS..  trans-70.3168.1176.566.30000112.2E234 D238 V239 F240E234-T236 PolarHBondContact O-N 3.45Å; T236-D238 PolarHBondContact O-N 3.09Å; T236-D238 PolarHBondContact OG1-N 2.65Å; T236-V239 WeakPolarHBondContact O-CB 3.19Å; T236-V239 PolarHBondContact O-N 2.94Å; T236-V239 VanDerWaalsContact O-N 3.08Å; T236-V239 PolarHBondContact OG1-N 3.26Å; T236-F240 VanDerWaalsContact O-CD2 3.28Å; T236-F240 WeakPolarHBondContact O-CD2 3.42Å; T236-F240 PolarHBondContact O-N 3.23Å
237D87.5Confident91.1Very high69 Ų6955.4 Ų55.437%0.36932%0.321SS..Hα-helixtrans-57.8-28.6173.8-76.7-9.4000112.8K212 S241 I248K212-D237 IonicContact NZ-OD1 2.71Å; K212-D237 PolarHBondContact NZ-OD1 3.1Å; D237-S241 WeakPolarHBondContact O-CB 3.27Å; D237-S241 PolarHBondContact O-N 3.06Å; D237-S241 PolarHBondContact O-OG 2.85Å; D237-I248 HydrophobicContact CB-CD1 4.19Å
238D89.9Confident90.4Very high129 Ų12954.4 Ų54.469%0.6931%0.314SS*.Hα-helixtrans-68.5-43.1174.7-62.2-35.8000111.4T236 F240 S241 E242T236-D238 PolarHBondContact O-N 3.09Å; T236-D238 PolarHBondContact OG1-N 2.65Å; D238-F240 VanDerWaalsContact C-N 3.34Å; D238-F240 PolarHBondContact O-N 3.02Å; D238-S241 WeakPolarHBondContact O-CB 3.26Å; D238-S241 PolarHBondContact O-N 2.57Å; D238-S241 VanDerWaalsContact O-N 3.16Å; D238-E242 PolarHBondContact O-N 3.11Å
239V91.8Very high89.7Confident22 Ų2257.7 Ų57.713%0.13333%0.329CS..Hα-helixtrans-59.3-46.9174.4170.80000110.3Y228 A235 T236 S241 E242 I243Y228-V239 HydrophobicContact CD1-CG1 4.17Å; Y228-V239 HydrophobicContact CD2-CG1 3.36Å; Y228-V239 HydrophobicContact CE1-CG1 4.29Å; Y228-V239 HydrophobicContact CE2-CB 4.49Å; Y228-V239 HydrophobicContact CE2-CG1 3.48Å; Y228-V239 VanDerWaalsContact CE2-CG1 3.48Å; Y228-V239 HydrophobicContact CE2-CG2 4.2Å; Y228-V239 HydrophobicContact CG-CG1 3.72Å; A235-V239 HydrophobicContact CB-CG1 4.46Å; T236-V239 WeakPolarHBondContact O-CB 3.19Å; T236-V239 PolarHBondContact O-N 2.94Å; T236-V239 VanDerWaalsContact O-N 3.08Å; T236-V239 PolarHBondContact OG1-N 3.26Å; V239-S241 VanDerWaalsContact C-N 3.32Å; V239-S241 PolarHBondContact O-N 3.05Å; V239-E242 WeakPolarHBondContact O-CB 2.92Å; V239-E242 PolarHBondContact O-N 3.29Å; V239-I243 HydrophobicContact CG1-CD1 3.87Å; V239-I243 HydrophobicContact CG1-CG1 4.45Å; V239-I243 VanDerWaalsContact O-CG1 3.27Å; V239-I243 WeakPolarHBondContact O-CG1 2.99Å; V239-I243 PolarHBondContact O-N 3.32Å
240F91.5Very high88.7Confident0 Ų062.7 Ų62.70%035%0.35CS..Hα-helixtrans-61.1-43.6175.7-80.4-76.7000111.3V36 V208 A211 K212 I218 A235 T236 D238 E242 I243 Y244 I248V36-F240 HydrophobicContact CB-CE1 4.23Å; V36-F240 HydrophobicContact CG1-CE1 4.09Å; V36-F240 HydrophobicContact CG2-CD1 4.33Å; V36-F240 HydrophobicContact CG2-CE1 3.86Å; V208-F240 HydrophobicContact CB-CD1 4.31Å; V208-F240 HydrophobicContact CB-CE1 4.37Å; V208-F240 HydrophobicContact CG1-CB 4.37Å; V208-F240 HydrophobicContact CG1-CD1 3.75Å; V208-F240 HydrophobicContact CG1-CD2 3.59Å; V208-F240 HydrophobicContact CG1-CE1 3.81Å; V208-F240 HydrophobicContact CG1-CE2 3.72Å; V208-F240 HydrophobicContact CG1-CG 3.62Å; V208-F240 HydrophobicContact CG1-CZ 3.81Å; V208-F240 HydrophobicContact CG2-CD1 3.76Å; V208-F240 HydrophobicContact CG2-CE1 4.15Å; V208-F240 HydrophobicContact CG2-CG 4.17Å; A211-F240 HydrophobicContact CB-CE1 4.42Å; A211-F240 HydrophobicContact CB-CZ 4.28Å; K212-F240 HydrophobicContact CD-CE2 4.05Å; K212-F240 VanDerWaalsContact CE-CD2 3.43Å; K212-F240 HydrophobicContact CG-CE2 3.69Å; K212-F240 HydrophobicContact CG-CZ 4.02Å; I218-F240 HydrophobicContact CG1-CZ 4.4Å; I218-F240 HydrophobicContact CG2-CE1 4.36Å; I218-F240 HydrophobicContact CG2-CZ 4.26Å; A235-F240 HydrophobicContact CB-CD2 4.4Å; A235-F240 HydrophobicContact CB-CE2 3.63Å; A235-F240 HydrophobicContact CB-CZ 4.15Å; A235-F240 WeakPolarHBondContact O-CE2 3.28Å; T236-F240 VanDerWaalsContact O-CD2 3.28Å; T236-F240 WeakPolarHBondContact O-CD2 3.42Å; T236-F240 PolarHBondContact O-N 3.23Å; D238-F240 VanDerWaalsContact C-N 3.34Å; D238-F240 PolarHBondContact O-N 3.02Å; F240-E242 VanDerWaalsContact C-N 3.26Å; F240-E242 PolarHBondContact O-N 3.08Å; F240-I243 PolarHBondContact O-N 2.9Å; F240-I243 VanDerWaalsContact O-N 3.17Å; F240-Y244 HydrophobicContact CB-CD2 4.3Å; F240-Y244 HydrophobicContact CB-CE2 4.19Å; F240-Y244 AromaticContact CD1-CE2 3.83Å; F240-Y244 HydrophobicContact CD1-CE2 3.83Å; F240-Y244 HydrophobicContact CG-CE2 4.49Å; F240-Y244 WeakPolarHBondContact O-CD2 3.41Å; F240-Y244 PolarHBondContact O-N 3.2Å; F240-I248 HydrophobicContact CB-CD1 3.65Å; F240-I248 HydrophobicContact CB-CG1 4.14Å
241S90.2Very high87.7Confident29 Ų2967 Ų6720%0.20337%0.37CS..Hα-helixtrans-60.3-36.2176.8-60.20000112.4D237 D238 V239 G245 R246D237-S241 WeakPolarHBondContact O-CB 3.27Å; D237-S241 PolarHBondContact O-N 3.06Å; D237-S241 PolarHBondContact O-OG 2.85Å; D238-S241 WeakPolarHBondContact O-CB 3.26Å; D238-S241 PolarHBondContact O-N 2.57Å; D238-S241 VanDerWaalsContact O-N 3.16Å; V239-S241 VanDerWaalsContact C-N 3.32Å; V239-S241 PolarHBondContact O-N 3.05Å; S241-G245 CarbonylContact O-C 3.6Å; S241-G245 WeakPolarHBondContact O-CA 3.27Å; S241-G245 PolarHBondContact O-N 3.45Å; S241-R246 VanDerWaalsContact CA-O 3.31Å; S241-R246 WeakPolarHBondContact CA-O 3.22Å; S241-R246 PolarHBondContact O-N 2.88Å; S241-R246 VanDerWaalsContact O-N 3.09Å
242E90.7Very high86.8Confident121 Ų12164.8 Ų64.857%0.56536%0.356SS*.Hα-helixtrans-67-46.4173.4-175178.8179.900112R222 D238 V239 F240 Y244 G245R222-E242 PolarHBondContact NH1-O 3.41Å; D238-E242 PolarHBondContact O-N 3.11Å; V239-E242 WeakPolarHBondContact O-CB 2.92Å; V239-E242 PolarHBondContact O-N 3.29Å; F240-E242 VanDerWaalsContact C-N 3.26Å; F240-E242 PolarHBondContact O-N 3.08Å; E242-Y244 VanDerWaalsContact C-N 3.31Å; E242-Y244 PolarHBondContact O-N 3.17Å; E242-G245 PolarHBondContact O-N 2.93Å; E242-G245 VanDerWaalsContact O-N 3.11Å
243I90.4Very high86.1Confident2 Ų268.1 Ų68.11%0.0137%0.368CS..Hα-helixtrans-57.9-46.2177-65.7163.8000110.4V36 V227 Y228 V239 F240 G245V36-I243 HydrophobicContact CG2-CD1 3.97Å; V36-I243 HydrophobicContact CG2-CG2 4.31Å; V227-I243 HydrophobicContact CG2-CB 4.36Å; V227-I243 HydrophobicContact CG2-CG1 4.07Å; V227-I243 HydrophobicContact CG2-CG2 4.31Å; Y228-I243 HydrophobicContact CD1-CD1 4.29Å; Y228-I243 HydrophobicContact CG-CD1 4.12Å; V239-I243 HydrophobicContact CG1-CD1 3.87Å; V239-I243 HydrophobicContact CG1-CG1 4.45Å; V239-I243 VanDerWaalsContact O-CG1 3.27Å; V239-I243 WeakPolarHBondContact O-CG1 2.99Å; V239-I243 PolarHBondContact O-N 3.32Å; F240-I243 PolarHBondContact O-N 2.9Å; F240-I243 VanDerWaalsContact O-N 3.17Å; I243-G245 VanDerWaalsContact C-N 3.31Å
244Y88.9Confident85.3Confident7 Ų764.4 Ų64.43%0.02734%0.339CS..Hα-helixtrans-79-12.8179.4-65.8-68000113.4G37 L38 V208 F240 E242 R246G37-Y244 VanDerWaalsContact C-CE1 3.44Å; L38-Y244 VanDerWaalsContact CD1-O 3.27Å; L38-Y244 WeakPolarHBondContact CD1-O 3.46Å; L38-Y244 HydrophobicContact CD2-CD1 3.71Å; L38-Y244 HydrophobicContact CD2-CG 4.44Å; L38-Y244 HydrophobicContact CG-CD1 3.91Å; V208-Y244 HydrophobicContact CG2-CE2 3.64Å; F240-Y244 HydrophobicContact CB-CD2 4.3Å; F240-Y244 HydrophobicContact CB-CE2 4.19Å; F240-Y244 AromaticContact CD1-CE2 3.83Å; F240-Y244 HydrophobicContact CD1-CE2 3.83Å; F240-Y244 HydrophobicContact CG-CE2 4.49Å; F240-Y244 WeakPolarHBondContact O-CD2 3.41Å; F240-Y244 PolarHBondContact O-N 3.2Å; E242-Y244 VanDerWaalsContact C-N 3.31Å; E242-Y244 PolarHBondContact O-N 3.17Å; Y244-R246 PolarHBondContact O-N 3.21Å
245G86Confident84.1Confident58 Ų5861.6 Ų61.660%0.59834%0.344SS*.THydrogen-bonded Turntrans64.515.9-174.900000114S241 E242 I243S241-G245 CarbonylContact O-C 3.6Å; S241-G245 WeakPolarHBondContact O-CA 3.27Å; S241-G245 PolarHBondContact O-N 3.45Å; E242-G245 PolarHBondContact O-N 2.93Å; E242-G245 VanDerWaalsContact O-N 3.11Å; I243-G245 VanDerWaalsContact C-N 3.31Å
246R86.5Confident82.3Confident77 Ų7764.1 Ų64.129%0.29136%0.359SS..SBendtrans-160.5162.3178.761173.9172.881.5-4.1109.9S241 Y244 I248 E252S241-R246 VanDerWaalsContact CA-O 3.31Å; S241-R246 WeakPolarHBondContact CA-O 3.22Å; S241-R246 PolarHBondContact O-N 2.88Å; S241-R246 VanDerWaalsContact O-N 3.09Å; Y244-R246 PolarHBondContact O-N 3.21Å; R246-I248 PolarHBondContact O-N 3.16Å; R246-E252 IonicContact CZ-OE1 2.65Å; R246-E252 VanDerWaalsContact CZ-OE1 3.26Å; R246-E252 IonicContact CZ-OE2 3.75Å; R246-E252 IonicContact NH1-OE1 3.26Å; R246-E252 PolarHBondContact NH1-OE1 2.93Å; R246-E252 IonicContact NH1-OE2 2.93Å; R246-E252 PolarHBondContact NH1-OE2 3.48Å; R246-E252 IonicContact NH2-OE1 2.57Å; R246-E252 PolarHBondContact NH2-OE1 3.42Å; R246-E252 IonicContact NH2-OE2 3.82Å
247T82.4Confident80.1Confident116 Ų11672 Ų7271%0.71240%0.398SS*.PPolyproline II helixtrans-56.3138.7169.8-44.90000110.5K249T247-K249 PolarHBondContact O-N 3.47Å
248I80Confident79.7Confident22 Ų2272.2 Ų72.211%0.11340%0.4CS..PPolyproline II helixtrans-58.6128.4175.2-52.9168.6000108.4V208 D237 F240 R246 E252 K253V208-I248 HydrophobicContact CG1-CD1 4.35Å; V208-I248 HydrophobicContact CG2-CD1 4.43Å; V208-I248 HydrophobicContact CG2-CG2 4.18Å; D237-I248 HydrophobicContact CB-CD1 4.19Å; F240-I248 HydrophobicContact CB-CD1 3.65Å; F240-I248 HydrophobicContact CB-CG1 4.14Å; R246-I248 PolarHBondContact O-N 3.16Å; I248-E252 HydrophobicContact CG2-CB 3.83Å; I248-K253 HydrophobicContact CG2-CG 4.31Å
249K81.4Confident79.2Confident109 Ų10969.2 Ų69.247%0.47438%0.384SS..PPolyproline II helixtrans-86.3160.5174.7-74.6171.9-174.9179.90111.1T247 D251 E252T247-K249 PolarHBondContact O-N 3.47Å; K249-D251 WeakPolarHBondContact CB-OD1 3.31Å; K249-D251 PolarHBondContact O-N 2.89Å; K249-E252 PolarHBondContact N-OE2 2.86Å; K249-E252 WeakPolarHBondContact O-CB 3.46Å; K249-E252 PolarHBondContact O-N 3.23Å
250E75.3Confident78.5Confident174 Ų17471.8 Ų71.881%0.81340%0.398SS*.G310 helixtrans-55.7-36.5175.1-77.4-96.1134.300113E252 K253E250-E252 PolarHBondContact O-N 2.79Å; E250-K253 PolarHBondContact O-N 2.79Å; E250-K253 VanDerWaalsContact O-N 3.09Å; E250-K253 VanDerWaalsContact O-O 3.08Å
251D76Confident77.7Confident100 Ų10076 Ų7654%0.53542%0.422SS..G310 helixtrans-72.8-9.1178.963.2-36.7000114F207 K249F207-D251 WeakPolarHBondContact CE1-O 3.28Å; K249-D251 WeakPolarHBondContact CB-OD1 3.31Å; K249-D251 PolarHBondContact O-N 2.89Å
252E75.9Confident76.9Confident4 Ų478.9 Ų78.92%0.01944%0.436CS..G310 helixtrans-94.2-2.3173.5-65.1164.8155.900111.7F207 V208 R246 I248 K249 E250F207-E252 VanDerWaalsContact CA-O 3.32Å; F207-E252 WeakPolarHBondContact CA-O 3.45Å; V208-E252 PolarHBondContact N-O 3.19Å; R246-E252 IonicContact CZ-OE1 2.65Å; R246-E252 VanDerWaalsContact CZ-OE1 3.26Å; R246-E252 IonicContact CZ-OE2 3.75Å; R246-E252 IonicContact NH1-OE1 3.26Å; R246-E252 PolarHBondContact NH1-OE1 2.93Å; R246-E252 IonicContact NH1-OE2 2.93Å; R246-E252 PolarHBondContact NH1-OE2 3.48Å; R246-E252 IonicContact NH2-OE1 2.57Å; R246-E252 PolarHBondContact NH2-OE1 3.42Å; R246-E252 IonicContact NH2-OE2 3.82Å; I248-E252 HydrophobicContact CG2-CB 3.83Å; K249-E252 PolarHBondContact N-OE2 2.86Å; K249-E252 WeakPolarHBondContact O-CB 3.46Å; K249-E252 PolarHBondContact O-N 3.23Å; E250-E252 PolarHBondContact O-N 2.79Å
253K78.3Confident76Confident82 Ų8276.1 Ų76.136%0.35743%0.427SS..SBendtrans-107.1135.4170.6-67.4-174.7175.3-176.20109.1D209 I248 E250 G255D209-K253 WeakPolarHBondContact OD2-CA 3.38Å; D209-K253 VanDerWaalsContact OD2-CB 3.26Å; D209-K253 WeakPolarHBondContact OD2-CB 3.41Å; I248-K253 HydrophobicContact CG2-CG 4.31Å; E250-K253 PolarHBondContact O-N 2.79Å; E250-K253 VanDerWaalsContact O-N 3.09Å; E250-K253 VanDerWaalsContact O-O 3.08Å; K253-G255 PolarHBondContact O-N 3.46Å
254L75Confident75Confident32 Ų3281.4 Ų81.417%0.16846%0.457CS..  trans-75.5-19.1177.6-151.484.9000110.8P180 T183 F207 D209 L210 V256P180-L254 HydrophobicContact CB-CD2 4.15Å; T183-L254 HydrophobicContact CG2-CD2 3.89Å; F207-L254 HydrophobicContact CB-CB 4.5Å; F207-L254 HydrophobicContact CB-CD1 4.35Å; F207-L254 HydrophobicContact CD1-CB 4.44Å; F207-L254 HydrophobicContact CD1-CD1 3.74Å; F207-L254 HydrophobicContact CD2-CD1 3.37Å; F207-L254 HydrophobicContact CE1-CD1 3.77Å; F207-L254 HydrophobicContact CE2-CD1 3.39Å; F207-L254 HydrophobicContact CG-CB 4.38Å; F207-L254 HydrophobicContact CG-CD1 3.53Å; F207-L254 HydrophobicContact CZ-CD1 3.6Å; D209-L254 PolarHBondContact OD2-N 3.09Å; L210-L254 HydrophobicContact CD1-CD1 4.33Å; L210-L254 HydrophobicContact CD1-CD2 4.39Å; L210-L254 HydrophobicContact CD2-CD2 4.3Å; L254-V256 VanDerWaalsContact C-N 3.33Å; L254-V256 HydrophobicContact CB-CG2 4.06Å; L254-V256 HydrophobicContact CD2-CG2 3.48Å; L254-V256 VanDerWaalsContact CD2-CG2 3.48Å; L254-V256 HydrophobicContact CG-CG2 4.02Å
255G65.8Low73.9Confident66 Ų6687.2 Ų87.268%0.6849%0.49SS*.  trans74.123.4-178.300000113.4K253 N257K253-G255 PolarHBondContact O-N 3.46Å; G255-N257 PolarHBondContact O-N 3.39Å
256V53.8Low72.9Confident57 Ų5789.6 Ų89.635%0.34548%0.481SS..  trans-94.789.8177.9-169.60000108.7P180 L254P180-V256 HydrophobicContact CB-CG2 4.21Å; L254-V256 VanDerWaalsContact C-N 3.33Å; L254-V256 HydrophobicContact CB-CG2 4.06Å; L254-V256 HydrophobicContact CD2-CG2 3.48Å; L254-V256 VanDerWaalsContact CD2-CG2 3.48Å; L254-V256 HydrophobicContact CG-CG2 4.02Å
257N44.5Very low71.7Confident236 Ų23690.7 Ų90.7100%1.26250%0.498SS*.  trans-104.80161.2-75.9-28.9000109G255G255-N257 PolarHBondContact O-N 3.39Å

Retrieved 257 of 257 residues in 1191.7 ms (Link to these results)

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