A0A093HSF2_STRCA Loading...

rRNA adenine N(6)-methyltransferase

AlphaFold DB , UniProt , Accession A0A093HSF2, Species STRCA (Struthio camelus australis), Gene n/a, Length 348 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
1M41.3Very low42.6Very low246 Ų246148.1 Ų148.1100%1.21285%0.845SS**  01050-67.3-174.8-170.300107.6
2A39.1Very low42.6Very low103 Ų103148.6 Ų148.685%0.85184%0.842SS**PPolyproline II helixtrans-86.2129179.800000109.4
3V41Very low43.3Very low134 Ų134145.5 Ų145.581%0.81283%0.832SS**PPolyproline II helixtrans-68128.8174.9-177.90000108.2G5V3-G5 PolarHBondContact O-N 3.22Å
4P45.6Very low45Very low116 Ų116143.7 Ų143.775%0.75383%0.828SS**PPolyproline II helixtrans-71.9117175.211.4-0.3000108.6K6P4-K6 PolarHBondContact O-N 3.32Å
5G43.4Very low46.6Very low68 Ų68139.5 Ų139.570%0.70180%0.801SS**PPolyproline II helixtrans-60.1127.1173.200000110.5V3 V7V3-G5 PolarHBondContact O-N 3.22Å; G5-V7 PolarHBondContact O-N 3.38Å; G5-V7 VanDerWaalsContact O-N 3.12Å
6K45.9Very low48.4Very low208 Ų208132.6 Ų132.690%0.90476%0.762SS**PPolyproline II helixtrans-55.2116169.2-84.3177.4173.7175.70108.8P4 A8P4-K6 PolarHBondContact O-N 3.32Å; K6-A8 PolarHBondContact O-N 3.42Å; K6-A8 VanDerWaalsContact O-N 3.13Å
7V43.1Very low50.4Low136 Ų136129.4 Ų129.482%0.82475%0.746SS**  trans-59.4115.9167.8-175.20000107G5 A9G5-V7 PolarHBondContact O-N 3.38Å; G5-V7 VanDerWaalsContact O-N 3.12Å; V7-A9 PolarHBondContact O-N 3.12Å; V7-A9 VanDerWaalsContact O-N 3.08Å
8A43.9Very low52Low83 Ų83122.6 Ų122.669%0.68671%0.707SS**  trans-59.4114.8174.600000108K6 F10K6-A8 PolarHBondContact O-N 3.42Å; K6-A8 VanDerWaalsContact O-N 3.13Å; A8-F10 PolarHBondContact O-N 3.13Å
9A45.8Very low53.3Low91 Ų91118.1 Ų118.175%0.75269%0.689SS**  trans-59.1114.9171.500000107.6V7 R11V7-A9 PolarHBondContact O-N 3.12Å; V7-A9 VanDerWaalsContact O-N 3.08Å; A9-R11 PolarHBondContact O-N 3.02Å
10F38.8Very low54.6Low205 Ų205117.5 Ų117.590%0.89968%0.679SS**  trans-56.9101170.6-84.1-92.5000107.9A8 L12A8-F10 PolarHBondContact O-N 3.13Å; F10-L12 PolarHBondContact O-N 2.87Å; F10-L12 VanDerWaalsContact O-N 3.16Å
11R40.6Very low55.6Low239 Ų239112 Ų11290%0.90265%0.648SS**  trans-74.9102.1169-85.3-174.8171.6179.2-2.3106.7A9A9-R11 PolarHBondContact O-N 3.02Å
12L43Very low57.4Low154 Ų154101.7 Ų101.781%0.80660%0.597SS**PPolyproline II helixtrans-54.8139.3164-65.7173.5000108.1F10F10-L12 PolarHBondContact O-N 2.87Å; F10-L12 VanDerWaalsContact O-N 3.16Å
13P51.5Low59.3Low109 Ų109105.2 Ų105.271%0.70859%0.593SS**PPolyproline II helixtrans-57.3145.9175.424.9-32.8000109.4L15P13-L15 PolarHBondContact O-N 3.41Å
14P67Low60.8Low120 Ų120104.4 Ų104.478%0.77958%0.584SS**PPolyproline II helixtrans-56.3141.8175.226-33.7000109.2
15L69.6Low62.1Low81 Ų81102.1 Ų102.142%0.42456%0.562SS.*PPolyproline II helixtrans-53.9136.9174-80.3171.4000109.6P13 T17 L97 A100P13-L15 PolarHBondContact O-N 3.41Å; L15-T17 PolarHBondContact O-N 3.05Å; L15-L97 HydrophobicContact CD1-CD2 4.05Å; L15-A100 HydrophobicContact CD1-CB 3.61Å; L15-A100 HydrophobicContact CD2-CB 3.86Å; L15-A100 HydrophobicContact CG-CB 4.04Å
16P75.3Confident63.4Low28 Ų28109.4 Ų109.418%0.18257%0.569CS.*PPolyproline II helixtrans-58140.1175.823.8-32.3000109.9E20 I21 R71 M96P16-E20 WeakPolarHBondContact CA-OE2 3.11Å; P16-E20 HydrophobicContact CB-CB 3.95Å; P16-I21 HydrophobicContact CB-CG1 4Å; P16-I21 HydrophobicContact CG-CD1 4.21Å; P16-I21 HydrophobicContact CG-CG1 3.77Å; P16-R71 PolarHBondContact O-NH2 3.43Å; P16-M96 HydrophobicContact CG-CE 3.64Å; P16-M96 HydrophobicContact CG-SD 4.44Å
17T81.9Confident64.7Low79 Ų7999.9 Ų99.949%0.48553%0.527SS..PPolyproline II helixtrans-60.3161.3172.662.40000110.6L15 G19 E20 I21L15-T17 PolarHBondContact O-N 3.05Å; T17-G19 PolarHBondContact O-N 3.1Å; T17-E20 WeakPolarHBondContact CB-OE2 3.19Å; T17-E20 WeakPolarHBondContact CG2-OE2 3.49Å; T17-E20 PolarHBondContact N-OE2 2.92Å; T17-E20 PolarHBondContact O-N 3.2Å; T17-E20 VanDerWaalsContact O-N 3.09Å; T17-E20 WeakPolarHBondContact OG1-CB 3.18Å; T17-E20 VanDerWaalsContact OG1-CD 3.26Å; T17-E20 VanDerWaalsContact OG1-CG 3.23Å; T17-E20 WeakPolarHBondContact OG1-CG 3.25Å; T17-E20 PolarHBondContact OG1-N 3.4Å; T17-E20 PolarHBondContact OG1-OE2 3.45Å; T17-I21 PolarHBondContact O-N 2.86Å
18V78.4Confident65.8Low7 Ų7103.5 Ų103.54%0.04253%0.526CS..Hα-helixtrans-55.7-40.4176.9-165.40000110.9I21 I22 L39 P66V18-I21 PolarHBondContact O-N 3.24Å; V18-I22 HydrophobicContact CG1-CD1 4.43Å; V18-I22 VanDerWaalsContact O-CG1 3.3Å; V18-I22 WeakPolarHBondContact O-CG1 3.33Å; V18-I22 PolarHBondContact O-N 3.08Å; V18-I22 VanDerWaalsContact O-N 3.09Å; V18-L39 HydrophobicContact CB-CD2 3.98Å; V18-L39 HydrophobicContact CG1-CD2 3.36Å; V18-P66 HydrophobicContact CG1-CB 3.52Å; V18-P66 HydrophobicContact CG1-CG 3.59Å
19G77.6Confident66.7Low36 Ų36101 Ų10137%0.37151%0.506SS..Hα-helixtrans-66.7-37.917700000113.7T17 I22 K23T17-G19 PolarHBondContact O-N 3.1Å; G19-I22 PolarHBondContact O-N 3.24Å; G19-K23 PolarHBondContact O-N 3.15Å
20E79.6Confident67.5Low106 Ų106100.4 Ų100.450%0.49549%0.488SS..Hα-helixtrans-68.7-40.7175.7-74.4163.2149.900112P16 T17 I22 K23 L24P16-E20 WeakPolarHBondContact CA-OE2 3.11Å; P16-E20 HydrophobicContact CB-CB 3.95Å; T17-E20 WeakPolarHBondContact CB-OE2 3.19Å; T17-E20 WeakPolarHBondContact CG2-OE2 3.49Å; T17-E20 PolarHBondContact N-OE2 2.92Å; T17-E20 PolarHBondContact O-N 3.2Å; T17-E20 VanDerWaalsContact O-N 3.09Å; T17-E20 WeakPolarHBondContact OG1-CB 3.18Å; T17-E20 VanDerWaalsContact OG1-CD 3.26Å; T17-E20 VanDerWaalsContact OG1-CG 3.23Å; T17-E20 WeakPolarHBondContact OG1-CG 3.25Å; T17-E20 PolarHBondContact OG1-N 3.4Å; T17-E20 PolarHBondContact OG1-OE2 3.45Å; E20-I22 VanDerWaalsContact C-N 3.3Å; E20-I22 PolarHBondContact O-N 3.47Å; E20-K23 PolarHBondContact O-N 3.31Å; E20-K23 VanDerWaalsContact O-N 3.16Å; E20-L24 WeakPolarHBondContact O-CB 3.38Å; E20-L24 PolarHBondContact O-N 3.47Å
21I75.3Confident68.5Low2 Ų2100.1 Ų100.11%0.0149%0.486CS..Hα-helixtrans-57.7-46.6172.7-69.8-168.6000110.1P16 T17 V18 K23 L24 F25 L27P16-I21 HydrophobicContact CB-CG1 4Å; P16-I21 HydrophobicContact CG-CD1 4.21Å; P16-I21 HydrophobicContact CG-CG1 3.77Å; T17-I21 PolarHBondContact O-N 2.86Å; V18-I21 PolarHBondContact O-N 3.24Å; I21-K23 VanDerWaalsContact C-N 3.27Å; I21-K23 PolarHBondContact O-N 2.9Å; I21-L24 PolarHBondContact O-N 2.92Å; I21-F25 HydrophobicContact CG2-CD2 3.71Å; I21-F25 HydrophobicContact CG2-CE2 4.03Å; I21-F25 WeakPolarHBondContact O-CD2 3.33Å; I21-F25 PolarHBondContact O-N 2.9Å; I21-L27 HydrophobicContact CG2-CD1 4.14Å
22I78.1Confident69.5Low31 Ų3197.4 Ų97.416%0.15948%0.484CS..Hα-helixtrans-56.7-44177.4-74.2170.9000111V18 G19 E20 R26 L27 F37 L39 P66V18-I22 HydrophobicContact CG1-CD1 4.43Å; V18-I22 VanDerWaalsContact O-CG1 3.3Å; V18-I22 WeakPolarHBondContact O-CG1 3.33Å; V18-I22 PolarHBondContact O-N 3.08Å; V18-I22 VanDerWaalsContact O-N 3.09Å; G19-I22 PolarHBondContact O-N 3.24Å; E20-I22 VanDerWaalsContact C-N 3.3Å; E20-I22 PolarHBondContact O-N 3.47Å; I22-R26 CarbonylContact O-C 3.58Å; I22-R26 WeakPolarHBondContact O-CA 3.25Å; I22-R26 PolarHBondContact O-N 2.91Å; I22-L27 HydrophobicContact CG2-CB 4.44Å; I22-L27 WeakPolarHBondContact CG2-O 3.48Å; I22-L27 PolarHBondContact O-N 2.93Å; I22-F37 HydrophobicContact CD1-CD2 4.09Å; I22-L39 HydrophobicContact CD1-CD1 4.3Å; I22-L39 HydrophobicContact CD1-CD2 3.56Å; I22-P66 HydrophobicContact CD1-CB 4.12Å; I22-P66 HydrophobicContact CD1-CG 4.21Å; I22-P66 HydrophobicContact CG1-CB 3.95Å
23K79.1Confident70.5Confident176 Ų17692.8 Ų92.877%0.76546%0.459SS*.Hα-helixtrans-70.7-45.4178.9-170.5178.2178.8-177.20112.6G19 E20 I21 R26G19-K23 PolarHBondContact O-N 3.15Å; E20-K23 PolarHBondContact O-N 3.31Å; E20-K23 VanDerWaalsContact O-N 3.16Å; I21-K23 VanDerWaalsContact C-N 3.27Å; I21-K23 PolarHBondContact O-N 2.9Å; K23-R26 PolarHBondContact O-N 3.36Å; K23-R26 VanDerWaalsContact O-N 3.15Å
24L73.8Confident71.3Confident117 Ų11790 Ų9061%0.61344%0.443SS*.Hα-helixtrans-60-48.8-176.7-170.790000111E20 I21 R26E20-L24 WeakPolarHBondContact O-CB 3.38Å; E20-L24 PolarHBondContact O-N 3.47Å; I21-L24 PolarHBondContact O-N 2.92Å; L24-R26 VanDerWaalsContact C-N 3.26Å; L24-R26 PolarHBondContact O-N 3.18Å
25F73.3Confident71.9Confident68 Ų6885.3 Ų85.330%0.29841%0.41SS..THydrogen-bonded Turntrans-88.78.7179.7-63.8-70000113.1I21 L27 P92 M96I21-F25 HydrophobicContact CG2-CD2 3.71Å; I21-F25 HydrophobicContact CG2-CE2 4.03Å; I21-F25 WeakPolarHBondContact O-CD2 3.33Å; I21-F25 PolarHBondContact O-N 2.9Å; F25-L27 HydrophobicContact CB-CD1 3.68Å; F25-L27 HydrophobicContact CB-CD2 4.24Å; F25-L27 HydrophobicContact CB-CG 3.63Å; F25-L27 HydrophobicContact CD2-CD1 4.38Å; F25-L27 HydrophobicContact CG-CD1 4.45Å; F25-L27 PolarHBondContact O-N 3.26Å; F25-L27 VanDerWaalsContact O-N 3.11Å; F25-P92 HydrophobicContact CD1-CB 4.32Å; F25-P92 HydrophobicContact CE1-CB 3.57Å; F25-P92 HydrophobicContact CE1-CG 4.32Å; F25-P92 HydrophobicContact CZ-CB 3.69Å; F25-M96 HydrophobicContact CE2-SD 4.34Å; F25-M96 HydrophobicContact CZ-SD 4.24Å
26R70.6Confident72.7Confident222 Ų22282.8 Ų82.884%0.83840%0.397SS*.THydrogen-bonded Turntrans48.639-177.8-59.5-178.1177.5179.6-0.4112.4I22 K23 L24 R28I22-R26 CarbonylContact O-C 3.58Å; I22-R26 WeakPolarHBondContact O-CA 3.25Å; I22-R26 PolarHBondContact O-N 2.91Å; K23-R26 PolarHBondContact O-N 3.36Å; K23-R26 VanDerWaalsContact O-N 3.15Å; L24-R26 VanDerWaalsContact C-N 3.26Å; L24-R26 PolarHBondContact O-N 3.18Å; R26-R28 PolarHBondContact O-N 2.93Å
27L72.4Confident73.3Confident7 Ų782.1 Ų82.14%0.03739%0.392CS..  trans-73.1101.2-176.5-64.7161.6000108.4I21 I22 F25 R89 F90I21-L27 HydrophobicContact CG2-CD1 4.14Å; I22-L27 HydrophobicContact CG2-CB 4.44Å; I22-L27 WeakPolarHBondContact CG2-O 3.48Å; I22-L27 PolarHBondContact O-N 2.93Å; F25-L27 HydrophobicContact CB-CD1 3.68Å; F25-L27 HydrophobicContact CB-CD2 4.24Å; F25-L27 HydrophobicContact CB-CG 3.63Å; F25-L27 HydrophobicContact CD2-CD1 4.38Å; F25-L27 HydrophobicContact CG-CD1 4.45Å; F25-L27 PolarHBondContact O-N 3.26Å; F25-L27 VanDerWaalsContact O-N 3.11Å; L27-R89 HydrophobicContact CD2-CB 3.35Å; L27-R89 HydrophobicContact CD2-CG 4.5Å; L27-F90 HydrophobicContact CB-CE1 4.14Å; L27-F90 HydrophobicContact CD1-CD1 3.59Å; L27-F90 HydrophobicContact CD1-CE1 3.58Å; L27-F90 HydrophobicContact CD2-CD1 4.08Å; L27-F90 HydrophobicContact CD2-CE1 3.93Å; L27-F90 HydrophobicContact CD2-CZ 4.23Å; L27-F90 HydrophobicContact CG-CD1 4.38Å; L27-F90 HydrophobicContact CG-CE1 4.08Å
28R66Low73.7Confident212 Ų21278.7 Ų78.780%0.837%0.37SS*.PPolyproline II helixtrans-92.9134.6164.2-67-175.9-179.2179.40.3108.5R26 Q30 R89R26-R28 PolarHBondContact O-N 2.93Å; R28-Q30 PolarHBondContact O-N 3.29Å; R28-Q30 VanDerWaalsContact O-N 3.15Å; R28-R89 PolarHBondContact O-NH1 3.08Å
29A62.3Low74.1Confident32 Ų3281 Ų8126%0.26438%0.382SS..PPolyproline II helixtrans-52.8122.8167.500000108.2K31 Q35 F37 P219A29-K31 PolarHBondContact O-N 3.26Å; A29-Q35 HydrophobicContact CB-CB 4.42Å; A29-F37 HydrophobicContact CB-CE2 3.78Å; A29-F37 HydrophobicContact CB-CZ 4.12Å; A29-P219 HydrophobicContact CB-CG 3.78Å
30Q63.4Low74.7Confident78 Ų7881.6 Ų81.636%0.36438%0.377SS..PPolyproline II helixtrans-83.4119.3176-79.4-179.1-18.700107.8R28 Q32 L33 S34 R89R28-Q30 PolarHBondContact O-N 3.29Å; R28-Q30 VanDerWaalsContact O-N 3.15Å; Q30-Q32 PolarHBondContact O-N 3.39Å; Q30-Q32 VanDerWaalsContact O-N 3.16Å; Q30-L33 HydrophobicContact CB-CB 4.14Å; Q30-L33 HydrophobicContact CB-CD1 4.2Å; Q30-L33 HydrophobicContact CB-CG 3.98Å; Q30-L33 CarbonylContact O-C 3.4Å; Q30-L33 WeakPolarHBondContact O-CA 3.32Å; Q30-L33 PolarHBondContact O-N 2.97Å; Q30-S34 PolarHBondContact O-N 3.49Å; Q30-S34 VanDerWaalsContact O-N 3.12Å; Q30-R89 VanDerWaalsContact CD-NH2 3.35Å
31K60.5Low75.2Confident199 Ų19980.2 Ų80.287%0.86537%0.372SS*.G310 helixtrans-51.2-38.9173.6-74.2-171.5176.1-174.40111.2A29 L33 S34A29-K31 PolarHBondContact O-N 3.26Å; K31-L33 VanDerWaalsContact C-N 3.26Å; K31-L33 PolarHBondContact O-N 2.97Å; K31-S34 PolarHBondContact O-N 3.37Å; K31-S34 VanDerWaalsContact O-N 3.09Å; K31-S34 PolarHBondContact O-OG 3Å
32Q60.3Low76.2Confident182 Ų18288.7 Ų88.785%0.8540%0.404SS*.G310 helixtrans-60.4-31176.3-67.4-179.1-6.700113.7Q30Q30-Q32 PolarHBondContact O-N 3.39Å; Q30-Q32 VanDerWaalsContact O-N 3.16Å
33L63.9Low77Confident56 Ų5688.9 Ų88.929%0.29341%0.405SS..G310 helixtrans-94.4-3177.8-60-176.7000113Q30 K31 Q35 D87 P143Q30-L33 HydrophobicContact CB-CB 4.14Å; Q30-L33 HydrophobicContact CB-CD1 4.2Å; Q30-L33 HydrophobicContact CB-CG 3.98Å; Q30-L33 CarbonylContact O-C 3.4Å; Q30-L33 WeakPolarHBondContact O-CA 3.32Å; Q30-L33 PolarHBondContact O-N 2.97Å; K31-L33 VanDerWaalsContact C-N 3.26Å; K31-L33 PolarHBondContact O-N 2.97Å; L33-Q35 HydrophobicContact CB-CG 3.86Å; L33-Q35 PolarHBondContact O-N 3.44Å; L33-Q35 VanDerWaalsContact O-N 3.09Å; L33-D87 HydrophobicContact CD1-CB 4.29Å; L33-D87 WeakPolarHBondContact CD1-OD2 3.44Å; L33-P143 WeakPolarHBondContact O-CB 3.41Å; L33-P143 WeakPolarHBondContact O-CG 3.39Å
34S68.7Low77.8Confident52 Ų5280.5 Ų80.536%0.36437%0.369SS..THydrogen-bonded Turntrans48.438.3178.6-60.30000113.6Q30 K31 P143Q30-S34 PolarHBondContact O-N 3.49Å; Q30-S34 VanDerWaalsContact O-N 3.12Å; K31-S34 PolarHBondContact O-N 3.37Å; K31-S34 VanDerWaalsContact O-N 3.09Å; K31-S34 PolarHBondContact O-OG 3Å; S34-P143 WeakPolarHBondContact O-CB 3.08Å
35Q79.4Confident78.9Confident21 Ų2177.5 Ų77.510%0.09835%0.353CS..  trans-77.5129-177.3-73.2167.8-2600111.1A29 L33 F37 D87 P219A29-Q35 HydrophobicContact CB-CB 4.42Å; L33-Q35 HydrophobicContact CB-CG 3.86Å; L33-Q35 PolarHBondContact O-N 3.44Å; L33-Q35 VanDerWaalsContact O-N 3.09Å; Q35-F37 HydrophobicContact CB-CE1 3.66Å; Q35-F37 HydrophobicContact CB-CZ 3.73Å; Q35-F37 HydrophobicContact CG-CE1 4.16Å; Q35-F37 HydrophobicContact CG-CZ 4.39Å; Q35-D87 PolarHBondContact NE2-OD2 3.33Å; Q35-P219 WeakPolarHBondContact O-CD 3.48Å
36N87Confident80Confident28 Ų2878 Ų7815%0.1536%0.356CS..  trans-124.4110.3171.3-58.2-59.9000108.2N141 F217 P219N36-N141 PolarHBondContact O-ND2 3.1Å; N36-F217 HydrophobicContact CB-CB 4.08Å; N36-F217 HydrophobicContact CB-CD1 4Å; N36-F217 HydrophobicContact CB-CG 4.29Å; N36-P219 PolarHBondContact OD1-O 3.35Å
37F88.8Confident81.3Confident14 Ų1467.5 Ų67.56%0.06132%0.316CS..EExtended strand (participates in β ladder)trans-87.8135.3-175-50-51.3000111.2I22 A29 Q35 L39 P66 F90 F217 V218I22-F37 HydrophobicContact CD1-CD2 4.09Å; A29-F37 HydrophobicContact CB-CE2 3.78Å; A29-F37 HydrophobicContact CB-CZ 4.12Å; Q35-F37 HydrophobicContact CB-CE1 3.66Å; Q35-F37 HydrophobicContact CB-CZ 3.73Å; Q35-F37 HydrophobicContact CG-CE1 4.16Å; Q35-F37 HydrophobicContact CG-CZ 4.39Å; F37-L39 HydrophobicContact CB-CD2 3.91Å; F37-P66 HydrophobicContact CB-CG 4.07Å; F37-P66 VanDerWaalsContact CD1-CD 3.46Å; F37-P66 HydrophobicContact CD1-CG 3.92Å; F37-P66 HydrophobicContact CG-CG 4Å; F37-F90 HydrophobicContact CE1-CE1 4.19Å; F37-F90 HydrophobicContact CE1-CE2 4.28Å; F37-F90 AromaticContact CE1-CZ 3.56Å; F37-F90 HydrophobicContact CE1-CZ 3.56Å; F37-F90 HydrophobicContact CE2-CZ 4.41Å; F37-F90 HydrophobicContact CZ-CE1 4.18Å; F37-F90 HydrophobicContact CZ-CE2 4.37Å; F37-F90 AromaticContact CZ-CZ 3.46Å; F37-F90 HydrophobicContact CZ-CZ 3.46Å; F37-F90 VanDerWaalsContact CZ-CZ 3.46Å; F37-F217 CarbonylContact O-C 3.36Å; F37-F217 VanDerWaalsContact O-CA 3.28Å; F37-F217 WeakPolarHBondContact O-CA 3.46Å; F37-V218 WeakPolarHBondContact CB-O 3.45Å; F37-V218 WeakPolarHBondContact CD2-O 3.41Å; F37-V218 WeakPolarHBondContact CG-O 3.43Å; F37-V218 PolarHBondContact N-O 3.48Å; F37-V218 PolarHBondContact O-N 3.39Å
38L89.6Confident82.5Confident7 Ų767.7 Ų67.74%0.03732%0.317CS..EExtended strand (participates in β ladder)trans-99.3109.4172.7-166.361.4000108.7L43 T44 I47 I212 A216 F217L38-L43 HydrophobicContact CD1-CB 4.28Å; L38-L43 HydrophobicContact CD1-CD1 3.88Å; L38-L43 HydrophobicContact CD2-CB 3.99Å; L38-L43 HydrophobicContact CG-CB 4.32Å; L38-T44 HydrophobicContact CB-CG2 4.29Å; L38-T44 HydrophobicContact CD2-CG2 3.83Å; L38-T44 HydrophobicContact CG-CG2 3.99Å; L38-I47 HydrophobicContact CD2-CD1 3.61Å; L38-I212 HydrophobicContact CD1-CG2 4.37Å; L38-I212 HydrophobicContact CD2-CD1 4.11Å; L38-A216 HydrophobicContact CD1-CB 4.22Å; L38-F217 HydrophobicContact CB-CD1 4.13Å; L38-F217 HydrophobicContact CB-CE1 3.98Å; L38-F217 HydrophobicContact CD1-CD1 4.08Å; L38-F217 HydrophobicContact CD1-CE1 3.9Å; L38-F217 HydrophobicContact CD1-CE2 4.41Å; L38-F217 HydrophobicContact CD1-CG 4.41Å; L38-F217 HydrophobicContact CD1-CZ 4.07Å; L38-F217 HydrophobicContact CD2-CE1 4.42Å; L38-F217 HydrophobicContact CG-CE1 4.33Å
39L86.6Confident84Confident54 Ų5464.9 Ų64.928%0.28331%0.307SS..  trans-99.1-17.2-174.4-50.7-175.9000113.1V18 I22 F37 L41 P66 V218V18-L39 HydrophobicContact CB-CD2 3.98Å; V18-L39 HydrophobicContact CG1-CD2 3.36Å; I22-L39 HydrophobicContact CD1-CD1 4.3Å; I22-L39 HydrophobicContact CD1-CD2 3.56Å; F37-L39 HydrophobicContact CB-CD2 3.91Å; L39-L41 PolarHBondContact O-N 2.81Å; L39-P66 HydrophobicContact CD2-CG 4.48Å; L39-V218 HydrophobicContact CD1-CB 4.2Å; L39-V218 HydrophobicContact CD1-CG2 3.92Å; L39-V218 HydrophobicContact CG-CG2 4.44Å
40D91Very high85.6Confident50 Ų5066.8 Ų66.827%0.26731%0.31SS..  trans-79.6108.9179-172.3-20.2000110.6R42 L43 T44D40-R42 PolarHBondContact O-N 3.44Å; D40-R42 VanDerWaalsContact OD1-CB 3.27Å; D40-R42 WeakPolarHBondContact OD1-CB 3.49Å; D40-R42 IonicContact OD1-CZ 3.83Å; D40-R42 PolarHBondContact OD1-N 2.91Å; D40-R42 IonicContact OD1-NE 3.59Å; D40-R42 PolarHBondContact OD1-NE 2.89Å; D40-R42 VanDerWaalsContact OD1-NE 3.1Å; D40-R42 IonicContact OD1-NH2 3.94Å; D40-R42 IonicContact OD2-CZ 2.74Å; D40-R42 IonicContact OD2-NE 3.35Å; D40-R42 PolarHBondContact OD2-NE 3.3Å; D40-R42 IonicContact OD2-NH2 3.25Å; D40-R42 PolarHBondContact OD2-NH2 3.31Å; D40-L43 HydrophobicContact CB-CB 4.4Å; D40-L43 HydrophobicContact CB-CD1 4.07Å; D40-L43 HydrophobicContact CB-CG 4.25Å; D40-L43 PolarHBondContact O-N 3.07Å; D40-T44 PolarHBondContact O-N 3.11Å
41L90.3Very high87.1Confident77 Ų7763.1 Ų63.140%0.40329%0.293SS..Hα-helixtrans-60.5-28-179.5-69177.8000113.2L39 L43 T44 D45 R71L39-L41 PolarHBondContact O-N 2.81Å; L41-L43 VanDerWaalsContact C-N 3.27Å; L41-L43 PolarHBondContact O-N 3.1Å; L41-T44 VanDerWaalsContact CA-OG1 3.26Å; L41-T44 WeakPolarHBondContact CA-OG1 3.4Å; L41-T44 PolarHBondContact O-N 2.93Å; L41-T44 PolarHBondContact O-OG1 3.46Å; L41-D45 VanDerWaalsContact O-CB 3.29Å; L41-D45 WeakPolarHBondContact O-CB 3.45Å; L41-D45 PolarHBondContact O-N 2.97Å; L41-R71 HydrophobicContact CD2-CB 4.24Å
42R94.6Very high88.5Confident180 Ų18055.4 Ų55.468%0.67927%0.27SS*.Hα-helixtrans-66.9-33.9178-58.1171.4-64177.22.8111.3D40 K46D40-R42 PolarHBondContact O-N 3.44Å; D40-R42 VanDerWaalsContact OD1-CB 3.27Å; D40-R42 WeakPolarHBondContact OD1-CB 3.49Å; D40-R42 IonicContact OD1-CZ 3.83Å; D40-R42 PolarHBondContact OD1-N 2.91Å; D40-R42 IonicContact OD1-NE 3.59Å; D40-R42 PolarHBondContact OD1-NE 2.89Å; D40-R42 VanDerWaalsContact OD1-NE 3.1Å; D40-R42 IonicContact OD1-NH2 3.94Å; D40-R42 IonicContact OD2-CZ 2.74Å; D40-R42 IonicContact OD2-NE 3.35Å; D40-R42 PolarHBondContact OD2-NE 3.3Å; D40-R42 IonicContact OD2-NH2 3.25Å; D40-R42 PolarHBondContact OD2-NH2 3.31Å; R42-K46 WeakPolarHBondContact O-CB 3.31Å; R42-K46 PolarHBondContact O-N 3.26Å; R42-K46 VanDerWaalsContact O-N 3.12Å
43L95.6Very high90.1Very high35 Ų3554.2 Ų54.218%0.18327%0.265CS..Hα-helixtrans-76-41.5176.3-69.1174.9000111L38 D40 L41 K46 I47 I212 A216L38-L43 HydrophobicContact CD1-CB 4.28Å; L38-L43 HydrophobicContact CD1-CD1 3.88Å; L38-L43 HydrophobicContact CD2-CB 3.99Å; L38-L43 HydrophobicContact CG-CB 4.32Å; D40-L43 HydrophobicContact CB-CB 4.4Å; D40-L43 HydrophobicContact CB-CD1 4.07Å; D40-L43 HydrophobicContact CB-CG 4.25Å; D40-L43 PolarHBondContact O-N 3.07Å; L41-L43 VanDerWaalsContact C-N 3.27Å; L41-L43 PolarHBondContact O-N 3.1Å; L43-K46 WeakPolarHBondContact O-CB 3.37Å; L43-K46 PolarHBondContact O-N 3.12Å; L43-K46 VanDerWaalsContact O-N 3.15Å; L43-I47 WeakPolarHBondContact O-CG1 3.38Å; L43-I47 PolarHBondContact O-N 3.31Å; L43-I212 HydrophobicContact CD1-CG2 3.95Å; L43-A216 HydrophobicContact CD1-CB 3.62Å
44T96.1Very high91.6Very high0 Ų051.8 Ų51.80%025%0.252CS..Hα-helixtrans-66.1-38.4175.7590000111.8L38 D40 L41 K46 I47 V48 I69 S72L38-T44 HydrophobicContact CB-CG2 4.29Å; L38-T44 HydrophobicContact CD2-CG2 3.83Å; L38-T44 HydrophobicContact CG-CG2 3.99Å; D40-T44 PolarHBondContact O-N 3.11Å; L41-T44 VanDerWaalsContact CA-OG1 3.26Å; L41-T44 WeakPolarHBondContact CA-OG1 3.4Å; L41-T44 PolarHBondContact O-N 2.93Å; L41-T44 PolarHBondContact O-OG1 3.46Å; T44-K46 VanDerWaalsContact C-N 3.27Å; T44-K46 PolarHBondContact O-N 3.16Å; T44-I47 WeakPolarHBondContact O-CB 3.27Å; T44-I47 PolarHBondContact O-N 2.58Å; T44-V48 WeakPolarHBondContact O-CG2 3.3Å; T44-V48 PolarHBondContact O-N 3.13Å; T44-I69 HydrophobicContact CG2-CG1 3.71Å; T44-S72 WeakPolarHBondContact CB-OG 3.35Å; T44-S72 PolarHBondContact OG1-OG 2.98Å
45D96.3Very high92.9Very high53 Ų5355 Ų5528%0.28326%0.259SS..Hα-helixtrans-61.5-38.1171.2-68.6-15.4000111.3L41 V48 R49 S72L41-D45 VanDerWaalsContact O-CB 3.29Å; L41-D45 WeakPolarHBondContact O-CB 3.45Å; L41-D45 PolarHBondContact O-N 2.97Å; D45-V48 PolarHBondContact O-N 3.36Å; D45-R49 WeakPolarHBondContact O-CG 3.11Å; D45-R49 PolarHBondContact O-N 3.48Å; D45-S72 PolarHBondContact N-OG 2.77Å; D45-S72 WeakPolarHBondContact OD1-CB 3.25Å; D45-S72 PolarHBondContact OD1-OG 3.31Å
46K97.4Very high93.7Very high80 Ų8058.6 Ų58.635%0.34828%0.279SS..Hα-helixtrans-65.7-39.3175.8-166.5-179.8173.9-177.20111.7R42 L43 T44 R49 Q50 F210R42-K46 WeakPolarHBondContact O-CB 3.31Å; R42-K46 PolarHBondContact O-N 3.26Å; R42-K46 VanDerWaalsContact O-N 3.12Å; L43-K46 WeakPolarHBondContact O-CB 3.37Å; L43-K46 PolarHBondContact O-N 3.12Å; L43-K46 VanDerWaalsContact O-N 3.15Å; T44-K46 VanDerWaalsContact C-N 3.27Å; T44-K46 PolarHBondContact O-N 3.16Å; K46-R49 PolarHBondContact O-N 3.36Å; K46-Q50 WeakPolarHBondContact O-CG 3.24Å; K46-Q50 PolarHBondContact O-N 3.27Å; K46-F210 HydrophobicContact CB-CE1 4.4Å; K46-F210 HydrophobicContact CB-CE2 4.48Å; K46-F210 HydrophobicContact CB-CZ 3.89Å; K46-F210 HydrophobicContact CD-CD1 4.29Å; K46-F210 HydrophobicContact CD-CD2 3.99Å; K46-F210 HydrophobicContact CD-CE1 4.01Å; K46-F210 HydrophobicContact CD-CE2 3.65Å; K46-F210 HydrophobicContact CD-CG 4.28Å; K46-F210 HydrophobicContact CD-CZ 3.67Å; K46-F210 HydrophobicContact CG-CD1 4.35Å; K46-F210 HydrophobicContact CG-CE1 3.73Å; K46-F210 HydrophobicContact CG-CE2 4.11Å; K46-F210 HydrophobicContact CG-CZ 3.58Å
47I97.4Very high94.2Very high1 Ų157.3 Ų57.31%0.00527%0.272CS..Hα-helixtrans-60.4-50.2173.1-66.4169.5000109.9L38 L43 T44 R49 Q50 A51 I69 I139 T173 T175 F210 I212 V227L38-I47 HydrophobicContact CD2-CD1 3.61Å; L43-I47 WeakPolarHBondContact O-CG1 3.38Å; L43-I47 PolarHBondContact O-N 3.31Å; T44-I47 WeakPolarHBondContact O-CB 3.27Å; T44-I47 PolarHBondContact O-N 2.58Å; I47-R49 VanDerWaalsContact C-N 3.32Å; I47-R49 PolarHBondContact O-N 3.23Å; I47-Q50 WeakPolarHBondContact O-CB 3.39Å; I47-Q50 PolarHBondContact O-N 3.2Å; I47-A51 PolarHBondContact O-N 3.25Å; I47-I69 HydrophobicContact CD1-CD1 3.92Å; I47-I69 HydrophobicContact CD1-CG1 4.37Å; I47-I69 HydrophobicContact CG2-CD1 4.45Å; I47-I139 HydrophobicContact CG2-CG2 4.15Å; I47-T173 HydrophobicContact CG2-CG2 4.2Å; I47-T175 HydrophobicContact CD1-CG2 4.4Å; I47-F210 HydrophobicContact CG1-CZ 3.95Å; I47-I212 HydrophobicContact CD1-CD1 4.06Å; I47-I212 HydrophobicContact CG1-CD1 4.36Å; I47-V227 HydrophobicContact CD1-CG2 4.43Å; I47-V227 HydrophobicContact CG1-CG2 3.87Å; I47-V227 HydrophobicContact CG2-CG1 4.46Å
48V97.3Very high94.7Very high10 Ų1057.8 Ų57.86%0.06128%0.275CS..Hα-helixtrans-58.7-42.1-179.7166.40000111.7T44 D45 Q50 A51 L54 I69 I73 A76T44-V48 WeakPolarHBondContact O-CG2 3.3Å; T44-V48 PolarHBondContact O-N 3.13Å; D45-V48 PolarHBondContact O-N 3.36Å; V48-Q50 PolarHBondContact O-N 2.85Å; V48-A51 WeakPolarHBondContact O-CB 3.25Å; V48-A51 PolarHBondContact O-N 3.42Å; V48-L54 HydrophobicContact CG1-CD1 3.64Å; V48-L54 HydrophobicContact CG1-CG 4.43Å; V48-I69 HydrophobicContact CG2-CG2 4.4Å; V48-I73 HydrophobicContact CG2-CG1 3.71Å; V48-A76 HydrophobicContact CG1-CB 4.12Å
49R96.6Very high95.1Very high153 Ų15357.5 Ų57.558%0.57727%0.273SS*.Hα-helixtrans-61.1-29174.9-75.2-172.8-64.5-97.5-0.5114D45 K46 I47 A51D45-R49 WeakPolarHBondContact O-CG 3.11Å; D45-R49 PolarHBondContact O-N 3.48Å; K46-R49 PolarHBondContact O-N 3.36Å; I47-R49 VanDerWaalsContact C-N 3.32Å; I47-R49 PolarHBondContact O-N 3.23Å; R49-A51 VanDerWaalsContact C-N 3.31Å
50Q96.8Very high95.7Very high73 Ų7354.9 Ų54.934%0.34126%0.26SS..Hα-helixtrans-78.3-16.5175.5-62.4-56.4-60.900112.9K46 I47 V48 G52 T173 C209 F210 H229K46-Q50 WeakPolarHBondContact O-CG 3.24Å; K46-Q50 PolarHBondContact O-N 3.27Å; I47-Q50 WeakPolarHBondContact O-CB 3.39Å; I47-Q50 PolarHBondContact O-N 3.2Å; V48-Q50 PolarHBondContact O-N 2.85Å; Q50-G52 PolarHBondContact O-N 3.38Å; Q50-T173 HydrophobicContact CB-CG2 4.36Å; Q50-C209 HydrophobicContact CB-CB 4.29Å; Q50-C209 HydrophobicContact CG-CB 3.79Å; Q50-F210 HydrophobicContact CG-CD1 3.99Å; Q50-F210 HydrophobicContact CG-CE1 3.69Å; Q50-H229 PolarHBondContact O-ND1 2.6Å
51A94.1Very high96Very high0 Ų052.7 Ų52.70%025%0.248CC..Hα-helixtrans-73.6-18.2176.700000113.3I47 V48 R49 L54 H137 I139 T173I47-A51 PolarHBondContact O-N 3.25Å; V48-A51 WeakPolarHBondContact O-CB 3.25Å; V48-A51 PolarHBondContact O-N 3.42Å; R49-A51 VanDerWaalsContact C-N 3.31Å; A51-L54 HydrophobicContact CB-CD2 4.23Å; A51-H137 PolarHBondContact O-CE1 2.73Å; A51-H137 VanDerWaalsContact O-CE1 3.23Å; A51-H137 PolarHBondContact O-ND1 2.97Å; A51-I139 HydrophobicContact CB-CD1 3.54Å; A51-I139 HydrophobicContact CB-CG1 3.99Å; A51-T173 VanDerWaalsContact CA-OG1 3.26Å; A51-T173 WeakPolarHBondContact CA-OG1 3.43Å; A51-T173 HydrophobicContact CB-CG2 4.46Å; A51-T173 WeakPolarHBondContact CB-OG1 3.43Å
52G91.5Very high96.3Very high38 Ų3849 Ų4939%0.39223%0.229SC..  trans113.6-165.1-177.600000112.5Q50 L54Q50-G52 PolarHBondContact O-N 3.38Å; G52-L54 PolarHBondContact O-N 3.33Å
53E93.3Very high96.4Very high156 Ų15641.5 Ų41.573%0.72921%0.207SC*.  trans-76.5110.8173.4-179.7163-149.200110K55E53-K55 HydrophobicContact CG-CB 4.18Å
54L96.1Very high96.3Very high6 Ų640.2 Ų40.23%0.03120%0.201CC..  trans-94.42.5-178-58.3-167.9000114V48 A51 G52 N56 A57 V59 I73 A76 V78 H137 I139V48-L54 HydrophobicContact CG1-CD1 3.64Å; V48-L54 HydrophobicContact CG1-CG 4.43Å; A51-L54 HydrophobicContact CB-CD2 4.23Å; G52-L54 PolarHBondContact O-N 3.33Å; L54-N56 PolarHBondContact O-N 3.36Å; L54-A57 HydrophobicContact CB-CB 4.27Å; L54-A57 HydrophobicContact CD2-CB 4.36Å; L54-A57 WeakPolarHBondContact O-CB 3.23Å; L54-A57 PolarHBondContact O-N 3.15Å; L54-V59 HydrophobicContact CD1-CG2 4.15Å; L54-V59 HydrophobicContact CD2-CG2 4.29Å; L54-I73 HydrophobicContact CD1-CG2 4.47Å; L54-A76 HydrophobicContact CB-CB 3.99Å; L54-V78 HydrophobicContact CB-CG1 3.96Å; L54-V78 WeakPolarHBondContact O-CG1 3.43Å; L54-H137 HydrophobicContact CD2-CB 3.96Å; L54-H137 VanDerWaalsContact CD2-CG 3.49Å; L54-I139 HydrophobicContact CD1-CD1 3.78Å
55K95.8Very high96.2Very high118 Ų11840.6 Ų40.651%0.51320%0.204SC..THydrogen-bonded Turntrans-61.6125.8178.9-173178.3-178.8179.50109.7E53 A57E53-K55 HydrophobicContact CG-CB 4.18Å; K55-A57 PolarHBondContact O-N 2.8Å; K55-A57 VanDerWaalsContact O-N 3.09Å
56N95.8Very high95.9Very high98 Ų9838.4 Ų38.452%0.52419%0.193SC..THydrogen-bonded Turntrans57.115.1-173.3-56.4-50.6000114.8L54 D77 A79 N135L54-N56 PolarHBondContact O-N 3.36Å; N56-D77 PolarHBondContact N-O 2.96Å; N56-A79 WeakPolarHBondContact O-CB 3.41Å; N56-N135 PolarHBondContact O-ND2 3.05Å
57A97.7Very high95.7Very high0 Ų034.6 Ų34.60%018%0.177CC..  trans-78.2160.6177.900000112L54 K55 V59 A79 Q80 N135L54-A57 HydrophobicContact CB-CB 4.27Å; L54-A57 HydrophobicContact CD2-CB 4.36Å; L54-A57 WeakPolarHBondContact O-CB 3.23Å; L54-A57 PolarHBondContact O-N 3.15Å; K55-A57 PolarHBondContact O-N 2.8Å; K55-A57 VanDerWaalsContact O-N 3.09Å; A57-V59 HydrophobicContact CB-CG2 4.36Å; A57-A79 PolarHBondContact O-N 3.25Å; A57-Q80 PolarHBondContact O-N 3.48Å; A57-N135 WeakPolarHBondContact CA-ND2 3.38Å; A57-N135 WeakPolarHBondContact CA-OD1 3.34Å; A57-N135 WeakPolarHBondContact CB-OD1 3.42Å
58H98.3Very high95.4Very high25 Ų2534.7 Ų34.712%0.11618%0.178CC..EExtended strand (participates in β ladder)trans-104119.2169.7-63.967.6000108.7Q80 F121 L125 N135 I136 H137H58-Q80 WeakPolarHBondContact CA-O 3.48Å; H58-F121 HydrophobicContact CB-CD1 3.75Å; H58-F121 HydrophobicContact CB-CD2 4.4Å; H58-F121 HydrophobicContact CB-CE1 3.85Å; H58-F121 HydrophobicContact CB-CE2 4.48Å; H58-F121 HydrophobicContact CB-CG 4.04Å; H58-F121 HydrophobicContact CB-CZ 4.22Å; H58-F121 AromaticContact CD2-CD1 3.84Å; H58-L125 HydrophobicContact CB-CD1 4.14Å; H58-L125 VanDerWaalsContact CG-CD1 3.43Å; H58-L125 WeakPolarHBondContact ND1-CD1 3.31Å; H58-N135 PolarHBondContact N-O 3.47Å; H58-I136 HydrophobicContact CB-CG1 4.24Å; H58-I136 CarbonylContact O-C 3.6Å; H58-I136 WeakPolarHBondContact O-CA 3.37Å; H58-H137 PolarHBondContact O-N 2.92Å
59V98.6Very high95.4Very high0 Ų034.6 Ų34.60%018%0.177CC..EExtended strand (participates in β ladder)trans-115.8131.6-171.9-177.60000109.7L54 A57 I73 V78 Q80 L81 L82 H137 I139L54-V59 HydrophobicContact CD1-CG2 4.15Å; L54-V59 HydrophobicContact CD2-CG2 4.29Å; A57-V59 HydrophobicContact CB-CG2 4.36Å; V59-I73 HydrophobicContact CB-CG2 4.01Å; V59-I73 HydrophobicContact CG1-CD1 3.85Å; V59-I73 HydrophobicContact CG1-CG1 4.43Å; V59-I73 HydrophobicContact CG1-CG2 3.95Å; V59-I73 HydrophobicContact CG2-CG2 4.05Å; V59-V78 HydrophobicContact CG2-CB 4.5Å; V59-V78 HydrophobicContact CG2-CG1 3.62Å; V59-Q80 PolarHBondContact N-O 3.23Å; V59-L81 HydrophobicContact CB-CD1 3.97Å; V59-L81 HydrophobicContact CG1-CD1 3.96Å; V59-L81 CarbonylContact O-C 3.28Å; V59-L81 WeakPolarHBondContact O-CA 3.44Å; V59-L82 PolarHBondContact O-N 2.94Å; V59-H137 CarbonylContact C-O 3.6Å; V59-H137 WeakPolarHBondContact CA-O 3.21Å; V59-H137 HydrophobicContact CG2-CB 4.44Å; V59-I139 HydrophobicContact CG1-CD1 3.88Å; V59-I139 HydrophobicContact CG1-CG1 4.13Å
60C98.5Very high95.4Very high0 Ų027.3 Ų27.30%015%0.15CC..EExtended strand (participates in β ladder)trans-103.9109.7165.4-177.10000108.6L82 M117 F121 H137 I138 I139C60-L82 CarbonylContact C-O 3.38Å; C60-L82 WeakPolarHBondContact CA-O 3.48Å; C60-M117 HydrophobicContact CB-CE 3.26Å; C60-M117 HydrophobicContact CB-SD 4.32Å; C60-M117 WeakPolarHBondContact SG-CE 3.48Å; C60-F121 HydrophobicContact CB-CE2 4.2Å; C60-F121 HydrophobicContact CB-CZ 4.1Å; C60-H137 PolarHBondContact N-O 2.86Å; C60-I138 HydrophobicContact CB-CG1 4.48Å; C60-I138 WeakPolarHBondContact O-CA 3.36Å; C60-I139 PolarHBondContact O-N 3.32Å
61E98.5Very high95.3Very high3 Ų325.3 Ų25.31%0.01414%0.139CC..EExtended strand (participates in β ladder)trans-90.2126.5169.8-171.5-178.6-178.400109.9P64 I69 T70 I73 L81 L82 L83 V84 I139E61-P64 HydrophobicContact CG-CB 4.17Å; E61-P64 WeakPolarHBondContact OE1-CA 3.5Å; E61-I69 HydrophobicContact CG-CG2 4.46Å; E61-I69 VanDerWaalsContact OE1-CB 3.26Å; E61-I69 WeakPolarHBondContact OE1-CB 3.36Å; E61-T70 VanDerWaalsContact CD-OG1 3.23Å; E61-T70 PolarHBondContact OE1-N 3.25Å; E61-T70 PolarHBondContact OE1-OG1 2.93Å; E61-T70 WeakPolarHBondContact OE2-CA 3.5Å; E61-T70 VanDerWaalsContact OE2-CB 3.23Å; E61-T70 WeakPolarHBondContact OE2-CB 3.26Å; E61-T70 PolarHBondContact OE2-N 3.41Å; E61-T70 PolarHBondContact OE2-OG1 3.07Å; E61-I73 HydrophobicContact CB-CD1 4.01Å; E61-I73 HydrophobicContact CG-CD1 4.15Å; E61-L81 HydrophobicContact CB-CD1 4Å; E61-L82 PolarHBondContact N-O 3.18Å; E61-L83 HydrophobicContact CB-CD2 3.64Å; E61-L83 HydrophobicContact CG-CD2 4.38Å; E61-L83 VanDerWaalsContact OE2-CD2 3.25Å; E61-L83 WeakPolarHBondContact OE2-CD2 3.28Å; E61-V84 PolarHBondContact O-N 2.95Å; E61-I139 CarbonylContact C-O 3.52Å; E61-I139 VanDerWaalsContact CA-O 3.24Å; E61-I139 WeakPolarHBondContact CA-O 3.16Å
62V97Very high95.4Very high1 Ų125.5 Ų25.51%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-102.7125.1179.7-170.50000110.1I112 I138 I139 L142 L150 W154V62-I112 HydrophobicContact CB-CD1 4.39Å; V62-I112 HydrophobicContact CB-CG1 4.26Å; V62-I112 HydrophobicContact CG1-CB 3.34Å; V62-I112 HydrophobicContact CG1-CD1 3.78Å; V62-I112 HydrophobicContact CG1-CG1 3.27Å; V62-I112 HydrophobicContact CG1-CG2 3.48Å; V62-I112 VanDerWaalsContact CG1-CG2 3.48Å; V62-I112 HydrophobicContact CG2-CD1 3.7Å; V62-I112 HydrophobicContact CG2-CG1 3.91Å; V62-I138 HydrophobicContact CG2-CG2 4.03Å; V62-I139 PolarHBondContact N-O 3.07Å; V62-L142 HydrophobicContact CB-CD1 4.44Å; V62-L142 HydrophobicContact CB-CD2 4.02Å; V62-L142 HydrophobicContact CG1-CD1 4.08Å; V62-L142 HydrophobicContact CG1-CD2 3.51Å; V62-L142 HydrophobicContact CG1-CG 4.33Å; V62-L142 WeakPolarHBondContact O-CD2 3.17Å; V62-L150 HydrophobicContact CG1-CD2 4.44Å; V62-W154 HydrophobicContact CG2-CH2 3.97Å; V62-W154 HydrophobicContact CG2-CZ2 4.44Å
63G95Very high95.7Very high22 Ų2223.7 Ų23.723%0.22712%0.121CC..  trans59.557.7179.800000112.3G65 V84G63-G65 PolarHBondContact O-N 3.44Å; G63-V84 PolarHBondContact N-O 2.92Å
64P95.1Very high95.8Very high8 Ų817.7 Ų17.75%0.0529%0.094CC..  trans-60.4-24-177.628.9-40000113.6E61 G67 T70 L83 V84 E85 L94E61-P64 HydrophobicContact CG-CB 4.17Å; E61-P64 WeakPolarHBondContact OE1-CA 3.5Å; P64-G67 PolarHBondContact O-N 3.38Å; P64-T70 WeakPolarHBondContact CB-OG1 3.3Å; P64-L83 HydrophobicContact CB-CD2 4.35Å; P64-L83 HydrophobicContact CG-CB 4.21Å; P64-V84 WeakPolarHBondContact CD-O 3.4Å; P64-E85 VanDerWaalsContact CD-OE2 3.3Å; P64-E85 WeakPolarHBondContact CD-OE2 3.47Å; P64-E85 HydrophobicContact CG-CB 3.92Å; P64-E85 HydrophobicContact CG-CG 4.44Å; P64-L94 HydrophobicContact CB-CD1 4.37Å; P64-L94 HydrophobicContact CB-CD2 4.08Å; P64-L94 HydrophobicContact CG-CD1 3.54Å; P64-L94 HydrophobicContact CG-CD2 4.17Å
65G92.4Very high95.7Very high7 Ų722.3 Ų22.37%0.07213%0.127CC..THydrogen-bonded Turntrans52.4-124.8-176.300000110.9G63 G67 E85 F90G63-G65 PolarHBondContact O-N 3.44Å; G65-G67 PolarHBondContact O-N 2.9Å; G65-G67 VanDerWaalsContact O-N 3.08Å; G65-E85 WeakPolarHBondContact CA-OE2 3.2Å; G65-E85 PolarHBondContact N-OE2 3.5Å; G65-F90 VanDerWaalsContact C-CG 3.48Å; G65-F90 WeakPolarHBondContact O-CB 3.4Å; G65-F90 WeakPolarHBondContact O-CD1 3.42Å; G65-F90 WeakPolarHBondContact O-CG 3.45Å
66P90.3Very high95.7Very high8 Ų818.2 Ų18.25%0.05212%0.115CC..THydrogen-bonded Turntrans-74.63.6-178.636.1-39.2000114V18 I22 F37 L39 R71 F90V18-P66 HydrophobicContact CG1-CB 3.52Å; V18-P66 HydrophobicContact CG1-CG 3.59Å; I22-P66 HydrophobicContact CD1-CB 4.12Å; I22-P66 HydrophobicContact CD1-CG 4.21Å; I22-P66 HydrophobicContact CG1-CB 3.95Å; F37-P66 HydrophobicContact CB-CG 4.07Å; F37-P66 VanDerWaalsContact CD1-CD 3.46Å; F37-P66 HydrophobicContact CD1-CG 3.92Å; F37-P66 HydrophobicContact CG-CG 4Å; L39-P66 HydrophobicContact CD2-CG 4.48Å; P66-R71 PolarHBondContact O-NH1 2.91Å; P66-F90 HydrophobicContact CB-CD1 4.21Å; P66-F90 HydrophobicContact CB-CE1 4.07Å
67G92.9Very high95.5Very high0 Ų017.2 Ų17.20%011%0.11CC..THydrogen-bonded Turntrans80.133.817300000114.3P64 G65 T70 R71P64-G67 PolarHBondContact O-N 3.38Å; G65-G67 PolarHBondContact O-N 2.9Å; G65-G67 VanDerWaalsContact O-N 3.08Å; G67-T70 WeakPolarHBondContact CA-OG1 3.38Å; G67-R71 WeakPolarHBondContact O-CG 3.44Å; G67-R71 PolarHBondContact O-N 3.16Å; G67-R71 PolarHBondContact O-NH1 3.47Å
68G92.7Very high95.4Very high3 Ų317.3 Ų17.33%0.03111%0.11CC..Hα-helixtrans-64.7-55.5175.400000111.4R71G68-R71 PolarHBondContact O-N 3.36Å
69I96.4Very high95.4Very high8 Ų818.1 Ų18.14%0.04112%0.121CC..Hα-helixtrans-68-38.9176.6-67.9171.9000110.7T44 I47 V48 E61 R71 S72 I73 I139 N141T44-I69 HydrophobicContact CG2-CG1 3.71Å; I47-I69 HydrophobicContact CD1-CD1 3.92Å; I47-I69 HydrophobicContact CD1-CG1 4.37Å; I47-I69 HydrophobicContact CG2-CD1 4.45Å; V48-I69 HydrophobicContact CG2-CG2 4.4Å; E61-I69 HydrophobicContact CG-CG2 4.46Å; E61-I69 VanDerWaalsContact OE1-CB 3.26Å; E61-I69 WeakPolarHBondContact OE1-CB 3.36Å; I69-R71 VanDerWaalsContact C-N 3.27Å; I69-R71 PolarHBondContact O-N 3.16Å; I69-S72 WeakPolarHBondContact O-CA 3.42Å; I69-S72 WeakPolarHBondContact O-CB 3.38Å; I69-S72 PolarHBondContact O-N 2.64Å; I69-I73 HydrophobicContact CG2-CD1 3.6Å; I69-I73 HydrophobicContact CG2-CG1 3.98Å; I69-I73 WeakPolarHBondContact O-CG1 3.33Å; I69-I73 PolarHBondContact O-N 3.49Å; I69-I139 HydrophobicContact CG2-CG2 3.86Å; I69-N141 HydrophobicContact CD1-CB 3.54Å
70T96.7Very high95.3Very high0 Ų019.6 Ų19.60%013%0.128CC..Hα-helixtrans-46.5-47.8172.8-48.30000113.2E61 P64 G67 I73 L74 L81 L83 L97E61-T70 VanDerWaalsContact CD-OG1 3.23Å; E61-T70 PolarHBondContact OE1-N 3.25Å; E61-T70 PolarHBondContact OE1-OG1 2.93Å; E61-T70 WeakPolarHBondContact OE2-CA 3.5Å; E61-T70 VanDerWaalsContact OE2-CB 3.23Å; E61-T70 WeakPolarHBondContact OE2-CB 3.26Å; E61-T70 PolarHBondContact OE2-N 3.41Å; E61-T70 PolarHBondContact OE2-OG1 3.07Å; P64-T70 WeakPolarHBondContact CB-OG1 3.3Å; G67-T70 WeakPolarHBondContact CA-OG1 3.38Å; T70-I73 PolarHBondContact O-N 2.94Å; T70-L74 HydrophobicContact CG2-CD1 4.22Å; T70-L74 WeakPolarHBondContact O-CG 2.92Å; T70-L74 PolarHBondContact O-N 2.68Å; T70-L81 HydrophobicContact CG2-CD2 3.81Å; T70-L83 HydrophobicContact CG2-CD1 3.8Å; T70-L83 HydrophobicContact CG2-CD2 4.09Å; T70-L97 HydrophobicContact CG2-CD1 3.81Å
71R95Very high95.3Very high30 Ų3019.6 Ų19.611%0.11313%0.128CC..Hα-helixtrans-63.2-43179-74.2170175.986-8.2112.2P16 L41 P66 G67 G68 I69 L74 S75 L97P16-R71 PolarHBondContact O-NH2 3.43Å; L41-R71 HydrophobicContact CD2-CB 4.24Å; P66-R71 PolarHBondContact O-NH1 2.91Å; G67-R71 WeakPolarHBondContact O-CG 3.44Å; G67-R71 PolarHBondContact O-N 3.16Å; G67-R71 PolarHBondContact O-NH1 3.47Å; G68-R71 PolarHBondContact O-N 3.36Å; I69-R71 VanDerWaalsContact C-N 3.27Å; I69-R71 PolarHBondContact O-N 3.16Å; R71-L74 PolarHBondContact O-N 3.37Å; R71-S75 WeakPolarHBondContact O-CB 3.39Å; R71-S75 PolarHBondContact O-N 2.9Å; R71-S75 PolarHBondContact O-OG 3.29Å; R71-L97 HydrophobicContact CG-CD1 4.36Å; R71-L97 HydrophobicContact CG-CD2 3.95Å
72S96.1Very high95.3Very high4 Ų419.7 Ų19.73%0.02813%0.129CC..Hα-helixtrans-64.6-39.6176.5-65.90000112.2T44 D45 I69 S75 A76T44-S72 WeakPolarHBondContact CB-OG 3.35Å; T44-S72 PolarHBondContact OG1-OG 2.98Å; D45-S72 PolarHBondContact N-OG 2.77Å; D45-S72 WeakPolarHBondContact OD1-CB 3.25Å; D45-S72 PolarHBondContact OD1-OG 3.31Å; I69-S72 WeakPolarHBondContact O-CA 3.42Å; I69-S72 WeakPolarHBondContact O-CB 3.38Å; I69-S72 PolarHBondContact O-N 2.64Å; S72-S75 PolarHBondContact O-N 2.89Å; S72-A76 PolarHBondContact O-N 3.19Å
73I97.1Very high95.4Very high0 Ų019.7 Ų19.70%013%0.129CC..Hα-helixtrans-64.5-47176-65.1166.3000110.5V48 L54 V59 E61 I69 T70 S75 A76 V78 L81 I139V48-I73 HydrophobicContact CG2-CG1 3.71Å; L54-I73 HydrophobicContact CD1-CG2 4.47Å; V59-I73 HydrophobicContact CB-CG2 4.01Å; V59-I73 HydrophobicContact CG1-CD1 3.85Å; V59-I73 HydrophobicContact CG1-CG1 4.43Å; V59-I73 HydrophobicContact CG1-CG2 3.95Å; V59-I73 HydrophobicContact CG2-CG2 4.05Å; E61-I73 HydrophobicContact CB-CD1 4.01Å; E61-I73 HydrophobicContact CG-CD1 4.15Å; I69-I73 HydrophobicContact CG2-CD1 3.6Å; I69-I73 HydrophobicContact CG2-CG1 3.98Å; I69-I73 WeakPolarHBondContact O-CG1 3.33Å; I69-I73 PolarHBondContact O-N 3.49Å; T70-I73 PolarHBondContact O-N 2.94Å; I73-S75 PolarHBondContact O-N 3.33Å; I73-A76 WeakPolarHBondContact O-CB 3.39Å; I73-A76 PolarHBondContact O-N 3.06Å; I73-V78 HydrophobicContact CG2-CG1 3.64Å; I73-V78 HydrophobicContact CG2-CG2 4.16Å; I73-L81 HydrophobicContact CB-CD2 4.18Å; I73-L81 HydrophobicContact CD1-CD1 4.18Å; I73-L81 HydrophobicContact CG2-CD1 3.99Å; I73-L81 HydrophobicContact CG2-CD2 3.95Å; I73-L81 HydrophobicContact CG2-CG 4.45Å; I73-I139 HydrophobicContact CD1-CB 4.37Å; I73-I139 HydrophobicContact CD1-CD1 4.17Å; I73-I139 HydrophobicContact CG1-CD1 4.19Å
74L95.6Very high95.5Very high31 Ų3118.7 Ų18.716%0.16212%0.118CC..Hα-helixtrans-60.8-35.2178.7-73.3173.5000112.6T70 R71 A76 D77 V78 L81 A101 K104 V105T70-L74 HydrophobicContact CG2-CD1 4.22Å; T70-L74 WeakPolarHBondContact O-CG 2.92Å; T70-L74 PolarHBondContact O-N 2.68Å; R71-L74 PolarHBondContact O-N 3.37Å; L74-A76 PolarHBondContact O-N 3.31Å; L74-D77 PolarHBondContact O-N 3.27Å; L74-V78 HydrophobicContact CD2-CG2 4.4Å; L74-L81 HydrophobicContact CD2-CB 4.48Å; L74-L81 HydrophobicContact CD2-CD2 3.93Å; L74-L81 HydrophobicContact CG-CD2 3.86Å; L74-A101 HydrophobicContact CD1-CB 4.11Å; L74-A101 HydrophobicContact CD2-CB 3.97Å; L74-K104 HydrophobicContact CD2-CB 4.36Å; L74-V105 HydrophobicContact CD1-CG2 4.02Å; L74-V105 HydrophobicContact CD2-CG2 3.67Å; L74-V105 HydrophobicContact CG-CG2 4.36Å
75S94.6Very high95.6Very high102 Ų10218.8 Ų18.871%0.71312%0.118SC*.Hα-helixtrans-69.7-15176.7-55.80000113.3R71 S72 I73 D77R71-S75 WeakPolarHBondContact O-CB 3.39Å; R71-S75 PolarHBondContact O-N 2.9Å; R71-S75 PolarHBondContact O-OG 3.29Å; S72-S75 PolarHBondContact O-N 2.89Å; I73-S75 PolarHBondContact O-N 3.33Å; S75-D77 VanDerWaalsContact C-N 3.29Å; S75-D77 PolarHBondContact O-N 3.49Å
76A94.8Very high95.7Very high32 Ų3224.1 Ų24.126%0.26414%0.139SC..THydrogen-bonded Turntrans-88.210.717800000113.9V48 L54 S72 I73 L74V48-A76 HydrophobicContact CG1-CB 4.12Å; L54-A76 HydrophobicContact CB-CB 3.99Å; S72-A76 PolarHBondContact O-N 3.19Å; I73-A76 WeakPolarHBondContact O-CB 3.39Å; I73-A76 PolarHBondContact O-N 3.06Å; L74-A76 PolarHBondContact O-N 3.31Å
77D91.9Very high95.7Very high78 Ų7824.5 Ų24.542%0.41714%0.141SC..THydrogen-bonded Turntrans55.950.2178-162.831.6000114.3N56 L74 S75 K104N56-D77 PolarHBondContact N-O 2.96Å; L74-D77 PolarHBondContact O-N 3.27Å; S75-D77 VanDerWaalsContact C-N 3.29Å; S75-D77 PolarHBondContact O-N 3.49Å; D77-K104 IonicContact OD1-NZ 2.77Å; D77-K104 PolarHBondContact OD1-NZ 3.35Å
78V96.6Very high95.7Very high1 Ų127 Ų271%0.00616%0.162CC..  trans-65.6153.4172.3-66.30000112.4L54 V59 I73 L74 L81 K104L54-V78 HydrophobicContact CB-CG1 3.96Å; L54-V78 WeakPolarHBondContact O-CG1 3.43Å; V59-V78 HydrophobicContact CG2-CB 4.5Å; V59-V78 HydrophobicContact CG2-CG1 3.62Å; I73-V78 HydrophobicContact CG2-CG1 3.64Å; I73-V78 HydrophobicContact CG2-CG2 4.16Å; L74-V78 HydrophobicContact CD2-CG2 4.4Å; V78-L81 HydrophobicContact CG2-CB 4.3Å; V78-K104 PolarHBondContact O-NZ 2.91Å; V78-K104 VanDerWaalsContact O-NZ 3.09Å
79A97Very high95.6Very high42 Ų4230.4 Ų30.435%0.34717%0.173SC..SBendtrans-74.9-46.3171.500000111.2N56 A57N56-A79 WeakPolarHBondContact O-CB 3.41Å; A57-A79 PolarHBondContact O-N 3.25Å
80Q97.6Very high95.4Very high32 Ų3230.1 Ų30.115%0.1517%0.172CC..EExtended strand (participates in β ladder)trans-147.3140.4179.1-169.4-175.4-27.300110.4A57 H58 V59 K104 H106 F121A57-Q80 PolarHBondContact O-N 3.48Å; H58-Q80 WeakPolarHBondContact CA-O 3.48Å; V59-Q80 PolarHBondContact N-O 3.23Å; Q80-K104 CarbonylContact C-O 3.19Å; Q80-K104 WeakPolarHBondContact CA-O 3.43Å; Q80-H106 PolarHBondContact NE2-ND1 3Å; Q80-F121 HydrophobicContact CG-CE1 4.49Å
81L98.4Very high95.3Very high0 Ų031.1 Ų31.10%018%0.177CC..EExtended strand (participates in β ladder)trans-121.6113.4173.8176.452.1000109.9V59 E61 T70 I73 L74 V78 L83 K104 V105 H106V59-L81 HydrophobicContact CB-CD1 3.97Å; V59-L81 HydrophobicContact CG1-CD1 3.96Å; V59-L81 CarbonylContact O-C 3.28Å; V59-L81 WeakPolarHBondContact O-CA 3.44Å; E61-L81 HydrophobicContact CB-CD1 4Å; T70-L81 HydrophobicContact CG2-CD2 3.81Å; I73-L81 HydrophobicContact CB-CD2 4.18Å; I73-L81 HydrophobicContact CD1-CD1 4.18Å; I73-L81 HydrophobicContact CG2-CD1 3.99Å; I73-L81 HydrophobicContact CG2-CD2 3.95Å; I73-L81 HydrophobicContact CG2-CG 4.45Å; L74-L81 HydrophobicContact CD2-CB 4.48Å; L74-L81 HydrophobicContact CD2-CD2 3.93Å; L74-L81 HydrophobicContact CG-CD2 3.86Å; V78-L81 HydrophobicContact CG2-CB 4.3Å; L81-L83 HydrophobicContact CD1-CD2 3.68Å; L81-L83 HydrophobicContact CD2-CD2 3.9Å; L81-L83 HydrophobicContact CG-CD2 3.58Å; L81-L83 HydrophobicContact CG-CG 4.24Å; L81-K104 PolarHBondContact N-O 3.15Å; L81-V105 CarbonylContact O-C 3.53Å; L81-V105 WeakPolarHBondContact O-CA 3.23Å; L81-H106 PolarHBondContact O-N 2.98Å
82L98.5Very high95.2Very high5 Ų532 Ų323%0.02619%0.187CC..EExtended strand (participates in β ladder)trans-93.1126.1169.6174.263.8000109.6V59 C60 E61 V84 H106 V108 Y115 A120 F121V59-L82 PolarHBondContact O-N 2.94Å; C60-L82 CarbonylContact C-O 3.38Å; C60-L82 WeakPolarHBondContact CA-O 3.48Å; E61-L82 PolarHBondContact N-O 3.18Å; L82-V84 HydrophobicContact CD2-CG2 4.38Å; L82-V84 HydrophobicContact CG-CG2 4.24Å; L82-H106 CarbonylContact C-O 3.47Å; L82-H106 WeakPolarHBondContact CA-O 3.48Å; L82-H106 HydrophobicContact CD1-CB 4.14Å; L82-V108 HydrophobicContact CD1-CG2 3.73Å; L82-Y115 HydrophobicContact CD2-CE1 3.92Å; L82-A120 HydrophobicContact CD2-CB 3.55Å; L82-F121 HydrophobicContact CB-CE1 4.04Å; L82-F121 HydrophobicContact CB-CZ 3.95Å
83L98.4Very high94.9Very high0 Ų032 Ų320%019%0.187CC..EExtended strand (participates in β ladder)trans-108.4121.9176.2-56.8-170.8000109.4E61 P64 T70 L81 L94 V105 H106 I107 V108E61-L83 HydrophobicContact CB-CD2 3.64Å; E61-L83 HydrophobicContact CG-CD2 4.38Å; E61-L83 VanDerWaalsContact OE2-CD2 3.25Å; E61-L83 WeakPolarHBondContact OE2-CD2 3.28Å; P64-L83 HydrophobicContact CB-CD2 4.35Å; P64-L83 HydrophobicContact CG-CB 4.21Å; T70-L83 HydrophobicContact CG2-CD1 3.8Å; T70-L83 HydrophobicContact CG2-CD2 4.09Å; L81-L83 HydrophobicContact CD1-CD2 3.68Å; L81-L83 HydrophobicContact CD2-CD2 3.9Å; L81-L83 HydrophobicContact CG-CD2 3.58Å; L81-L83 HydrophobicContact CG-CG 4.24Å; L83-L94 HydrophobicContact CD1-CB 4.29Å; L83-L94 HydrophobicContact CD1-CD1 4.29Å; L83-L94 HydrophobicContact CD1-CD2 4Å; L83-L94 HydrophobicContact CD1-CG 4.41Å; L83-V105 HydrophobicContact CD1-CG1 3.72Å; L83-V105 HydrophobicContact CG-CG1 4.01Å; L83-H106 PolarHBondContact N-O 2.9Å; L83-I107 HydrophobicContact CD1-CG1 4.26Å; L83-V108 PolarHBondContact O-N 2.9Å
84V98.1Very high94.8Very high2 Ų232 Ų321%0.01219%0.187CC..EExtended strand (participates in β ladder)trans-110.7104.1172.7-174.20000108.7E61 G63 P64 L82 V108 I112 Y115E61-V84 PolarHBondContact O-N 2.95Å; G63-V84 PolarHBondContact N-O 2.92Å; P64-V84 WeakPolarHBondContact CD-O 3.4Å; L82-V84 HydrophobicContact CD2-CG2 4.38Å; L82-V84 HydrophobicContact CG-CG2 4.24Å; V84-V108 HydrophobicContact CG2-CB 4.48Å; V84-I112 HydrophobicContact CB-CD1 4.22Å; V84-I112 HydrophobicContact CG1-CB 4.38Å; V84-I112 HydrophobicContact CG1-CD1 4.2Å; V84-I112 HydrophobicContact CG2-CD1 4.3Å; V84-Y115 HydrophobicContact CG1-CD1 4.44Å; V84-Y115 HydrophobicContact CG1-CG 4.2Å; V84-Y115 HydrophobicContact CG2-CD1 3.78Å; V84-Y115 HydrophobicContact CG2-CE1 3.88Å; V84-Y115 HydrophobicContact CG2-CG 4.28Å
85E96.3Very high94.7Very high9 Ų935.1 Ų35.14%0.04220%0.201CC..EExtended strand (participates in β ladder)trans-118.6129.2-176.9179.950.7-106.600110.6P64 G65 D87 F90 I91 L94 V108 H109 G110P64-E85 VanDerWaalsContact CD-OE2 3.3Å; P64-E85 WeakPolarHBondContact CD-OE2 3.47Å; P64-E85 HydrophobicContact CG-CB 3.92Å; P64-E85 HydrophobicContact CG-CG 4.44Å; G65-E85 WeakPolarHBondContact CA-OE2 3.2Å; G65-E85 PolarHBondContact N-OE2 3.5Å; E85-D87 WeakPolarHBondContact OE1-CB 3.38Å; E85-D87 PolarHBondContact OE1-N 3.46Å; E85-F90 HydrophobicContact CG-CB 4.16Å; E85-I91 HydrophobicContact CB-CD1 3.91Å; E85-I91 HydrophobicContact CG-CD1 4.1Å; E85-L94 HydrophobicContact CB-CD1 4.02Å; E85-L94 HydrophobicContact CG-CD1 4.19Å; E85-V108 PolarHBondContact N-O 3.19Å; E85-H109 CarbonylContact O-C 3.58Å; E85-H109 VanDerWaalsContact O-CA 3.26Å; E85-H109 WeakPolarHBondContact O-CA 3.36Å; E85-H109 PolarHBondContact O-CD2 2.85Å; E85-G110 CarbonylContact C-O 3.59Å; E85-G110 VanDerWaalsContact C-O 3.28Å; E85-G110 PolarHBondContact O-N 2.74Å
86K94.3Very high94.6Very high120 Ų12033 Ų3352%0.52218%0.18SC..SBendtrans-87.2-29.2-179-176.7174.8-179.3168.40112.2H109 G110 D111K86-H109 PolarHBondContact O-NE2 3.35Å; K86-G110 VanDerWaalsContact CA-O 3.32Å; K86-G110 WeakPolarHBondContact CA-O 3.39Å; K86-G110 PolarHBondContact N-O 3.23Å; K86-D111 HydrophobicContact CD-CB 4.1Å; K86-D111 WeakPolarHBondContact CE-OD2 3.2Å; K86-D111 HydrophobicContact CG-CB 4.46Å; K86-D111 IonicContact NZ-OD2 2.64Å; K86-D111 PolarHBondContact NZ-OD2 2.87Å
87D91.6Very high94.4Very high15 Ų1531.6 Ų31.68%0.0817%0.168CC..  trans-95102.5-174.3-176.1-10.9000110.6L33 Q35 E85 R89 F90L33-D87 HydrophobicContact CD1-CB 4.29Å; L33-D87 WeakPolarHBondContact CD1-OD2 3.44Å; Q35-D87 PolarHBondContact NE2-OD2 3.33Å; E85-D87 WeakPolarHBondContact OE1-CB 3.38Å; E85-D87 PolarHBondContact OE1-N 3.46Å; D87-R89 PolarHBondContact O-N 3.34Å; D87-R89 WeakPolarHBondContact OD1-CB 3.39Å; D87-R89 VanDerWaalsContact OD1-CG 3.26Å; D87-R89 WeakPolarHBondContact OD1-CG 3.45Å; D87-R89 IonicContact OD1-CZ 2.72Å; D87-R89 PolarHBondContact OD1-N 3.37Å; D87-R89 IonicContact OD1-NE 2.75Å; D87-R89 PolarHBondContact OD1-NE 3.44Å; D87-R89 IonicContact OD1-NH2 3.94Å; D87-R89 IonicContact OD2-CZ 2.67Å; D87-R89 IonicContact OD2-NE 3.81Å; D87-R89 PolarHBondContact OD2-NE 2.84Å; D87-R89 IonicContact OD2-NH2 2.86Å; D87-R89 PolarHBondContact OD2-NH2 3.13Å; D87-F90 HydrophobicContact CB-CD2 3.84Å; D87-F90 HydrophobicContact CB-CE2 4.09Å; D87-F90 PolarHBondContact O-N 3.31Å; D87-F90 VanDerWaalsContact O-N 3.07Å; D87-F90 WeakPolarHBondContact OD2-CE2 3.38Å
88A92.8Very high94.5Very high53 Ų5329.4 Ų29.444%0.43816%0.159SC..G310 helixtrans-49.6-25.6-178.700000114.2F90 I91A88-F90 VanDerWaalsContact C-N 3.25Å; A88-F90 PolarHBondContact O-N 2.98Å; A88-I91 WeakPolarHBondContact O-CB 3.19Å; A88-I91 WeakPolarHBondContact O-CG1 3.39Å; A88-I91 PolarHBondContact O-N 2.8Å
89R90.1Very high94.3Very high74 Ų7436.3 Ų36.328%0.27919%0.191SC..G310 helixtrans-66.8-26.2-177.3-55.2176.4-67.6157.92.7112.8L27 R28 Q30 D87L27-R89 HydrophobicContact CD2-CB 3.35Å; L27-R89 HydrophobicContact CD2-CG 4.5Å; R28-R89 PolarHBondContact O-NH1 3.08Å; Q30-R89 VanDerWaalsContact CD-NH2 3.35Å; D87-R89 PolarHBondContact O-N 3.34Å; D87-R89 WeakPolarHBondContact OD1-CB 3.39Å; D87-R89 VanDerWaalsContact OD1-CG 3.26Å; D87-R89 WeakPolarHBondContact OD1-CG 3.45Å; D87-R89 IonicContact OD1-CZ 2.72Å; D87-R89 PolarHBondContact OD1-N 3.37Å; D87-R89 IonicContact OD1-NE 2.75Å; D87-R89 PolarHBondContact OD1-NE 3.44Å; D87-R89 IonicContact OD1-NH2 3.94Å; D87-R89 IonicContact OD2-CZ 2.67Å; D87-R89 IonicContact OD2-NE 3.81Å; D87-R89 PolarHBondContact OD2-NE 2.84Å; D87-R89 IonicContact OD2-NH2 2.86Å; D87-R89 PolarHBondContact OD2-NH2 3.13Å
90F91.9Very high93.9Very high2 Ų237.1 Ų37.11%0.00920%0.198CC..G310 helixtrans-84.3-19.2177.2-65.8-69.5000113.4L27 F37 G65 P66 E85 D87 A88 G93 L94L27-F90 HydrophobicContact CB-CE1 4.14Å; L27-F90 HydrophobicContact CD1-CD1 3.59Å; L27-F90 HydrophobicContact CD1-CE1 3.58Å; L27-F90 HydrophobicContact CD2-CD1 4.08Å; L27-F90 HydrophobicContact CD2-CE1 3.93Å; L27-F90 HydrophobicContact CD2-CZ 4.23Å; L27-F90 HydrophobicContact CG-CD1 4.38Å; L27-F90 HydrophobicContact CG-CE1 4.08Å; F37-F90 HydrophobicContact CE1-CE1 4.19Å; F37-F90 HydrophobicContact CE1-CE2 4.28Å; F37-F90 AromaticContact CE1-CZ 3.56Å; F37-F90 HydrophobicContact CE1-CZ 3.56Å; F37-F90 HydrophobicContact CE2-CZ 4.41Å; F37-F90 HydrophobicContact CZ-CE1 4.18Å; F37-F90 HydrophobicContact CZ-CE2 4.37Å; F37-F90 AromaticContact CZ-CZ 3.46Å; F37-F90 HydrophobicContact CZ-CZ 3.46Å; F37-F90 VanDerWaalsContact CZ-CZ 3.46Å; G65-F90 VanDerWaalsContact C-CG 3.48Å; G65-F90 WeakPolarHBondContact O-CB 3.4Å; G65-F90 WeakPolarHBondContact O-CD1 3.42Å; G65-F90 WeakPolarHBondContact O-CG 3.45Å; P66-F90 HydrophobicContact CB-CD1 4.21Å; P66-F90 HydrophobicContact CB-CE1 4.07Å; E85-F90 HydrophobicContact CG-CB 4.16Å; D87-F90 HydrophobicContact CB-CD2 3.84Å; D87-F90 HydrophobicContact CB-CE2 4.09Å; D87-F90 PolarHBondContact O-N 3.31Å; D87-F90 VanDerWaalsContact O-N 3.07Å; D87-F90 WeakPolarHBondContact OD2-CE2 3.38Å; A88-F90 VanDerWaalsContact C-N 3.25Å; A88-F90 PolarHBondContact O-N 2.98Å; F90-G93 PolarHBondContact O-N 3.07Å; F90-L94 HydrophobicContact CB-CD1 4.49Å; F90-L94 WeakPolarHBondContact O-CG 3.39Å; F90-L94 PolarHBondContact O-N 3.28Å
91I94.6Very high93.6Very high22 Ų2236.5 Ų36.511%0.11320%0.198CC..Hα-helixtrans-54.4-44.8-174.7-58-65.5000112.7E85 A88 G93 L94 Q95 I107 H109E85-I91 HydrophobicContact CB-CD1 3.91Å; E85-I91 HydrophobicContact CG-CD1 4.1Å; A88-I91 WeakPolarHBondContact O-CB 3.19Å; A88-I91 WeakPolarHBondContact O-CG1 3.39Å; A88-I91 PolarHBondContact O-N 2.8Å; I91-G93 VanDerWaalsContact C-N 3.34Å; I91-G93 PolarHBondContact O-N 3.21Å; I91-L94 PolarHBondContact O-N 3.27Å; I91-Q95 HydrophobicContact CG2-CG 4.33Å; I91-Q95 WeakPolarHBondContact O-CG 3.47Å; I91-Q95 PolarHBondContact O-N 3.42Å; I91-I107 HydrophobicContact CD1-CG2 3.8Å; I91-H109 HydrophobicContact CD1-CB 4.03Å; I91-H109 HydrophobicContact CG1-CB 4.4Å
92P92.6Very high93.2Very high48 Ų4841.5 Ų41.531%0.31223%0.231SC..Hα-helixtrans-60.9-40.3177.3-25.336.3000113.4F25 L94 Q95 M96F25-P92 HydrophobicContact CD1-CB 4.32Å; F25-P92 HydrophobicContact CE1-CB 3.57Å; F25-P92 HydrophobicContact CE1-CG 4.32Å; F25-P92 HydrophobicContact CZ-CB 3.69Å; P92-L94 VanDerWaalsContact C-N 3.33Å; P92-L94 PolarHBondContact O-N 2.76Å; P92-Q95 WeakPolarHBondContact O-CB 3.34Å; P92-Q95 PolarHBondContact O-N 3.28Å; P92-M96 WeakPolarHBondContact O-CG 3.48Å; P92-M96 PolarHBondContact O-N 3.11Å; P92-M96 VanDerWaalsContact O-N 3.15Å
93G90.3Very high92.8Very high3 Ų344.7 Ų44.73%0.03127%0.265CS..Hα-helixtrans-66.5-35.7176.500000112.6F90 I91 L97F90-G93 PolarHBondContact O-N 3.07Å; I91-G93 VanDerWaalsContact C-N 3.34Å; I91-G93 PolarHBondContact O-N 3.21Å; G93-L97 PolarHBondContact O-N 3.42Å
94L94.1Very high92.6Very high0 Ų047.5 Ų47.50%028%0.277CS..Hα-helixtrans-70.8-35174-60.9175.6000111.9P64 L83 E85 F90 I91 P92 M96 L97 S98 I107P64-L94 HydrophobicContact CB-CD1 4.37Å; P64-L94 HydrophobicContact CB-CD2 4.08Å; P64-L94 HydrophobicContact CG-CD1 3.54Å; P64-L94 HydrophobicContact CG-CD2 4.17Å; L83-L94 HydrophobicContact CD1-CB 4.29Å; L83-L94 HydrophobicContact CD1-CD1 4.29Å; L83-L94 HydrophobicContact CD1-CD2 4Å; L83-L94 HydrophobicContact CD1-CG 4.41Å; E85-L94 HydrophobicContact CB-CD1 4.02Å; E85-L94 HydrophobicContact CG-CD1 4.19Å; F90-L94 HydrophobicContact CB-CD1 4.49Å; F90-L94 WeakPolarHBondContact O-CG 3.39Å; F90-L94 PolarHBondContact O-N 3.28Å; I91-L94 PolarHBondContact O-N 3.27Å; P92-L94 VanDerWaalsContact C-N 3.33Å; P92-L94 PolarHBondContact O-N 2.76Å; L94-M96 VanDerWaalsContact C-N 3.33Å; L94-M96 PolarHBondContact O-N 3.4Å; L94-L97 HydrophobicContact CD2-CD1 4.25Å; L94-L97 WeakPolarHBondContact O-CB 3.4Å; L94-L97 PolarHBondContact O-N 3.12Å; L94-L97 VanDerWaalsContact O-N 3.12Å; L94-S98 PolarHBondContact O-N 3.01Å; L94-I107 VanDerWaalsContact C-CD1 3.44Å; L94-I107 HydrophobicContact CB-CD1 3.74Å; L94-I107 HydrophobicContact CB-CG1 4.45Å; L94-I107 WeakPolarHBondContact O-CD1 3.18Å
95Q94.8Very high92.6Very high97 Ų9747.8 Ų47.845%0.45328%0.279SS..Hα-helixtrans-60.9-42.1173.9-76170.2-17.900111.3I91 P92 L97 S98 E99 I107I91-Q95 HydrophobicContact CG2-CG 4.33Å; I91-Q95 WeakPolarHBondContact O-CG 3.47Å; I91-Q95 PolarHBondContact O-N 3.42Å; P92-Q95 WeakPolarHBondContact O-CB 3.34Å; P92-Q95 PolarHBondContact O-N 3.28Å; Q95-L97 VanDerWaalsContact C-N 3.27Å; Q95-L97 PolarHBondContact O-N 3.2Å; Q95-S98 CarbonylContact O-C 3.54Å; Q95-S98 WeakPolarHBondContact O-CA 3.21Å; Q95-S98 VanDerWaalsContact O-CB 3.32Å; Q95-S98 WeakPolarHBondContact O-CB 3.35Å; Q95-S98 PolarHBondContact O-N 2.86Å; Q95-E99 WeakPolarHBondContact O-CG 3.46Å; Q95-E99 PolarHBondContact O-N 2.83Å; Q95-I107 HydrophobicContact CB-CD1 4.48Å; Q95-I107 HydrophobicContact CG-CD1 3.95Å
96M91.6Very high92.6Very high58 Ų5851.7 Ų51.729%0.28630%0.297SS..Hα-helixtrans-58.9-38.1173.1-63.3176.77000112.5P16 F25 P92 L94 A100P16-M96 HydrophobicContact CG-CE 3.64Å; P16-M96 HydrophobicContact CG-SD 4.44Å; F25-M96 HydrophobicContact CE2-SD 4.34Å; F25-M96 HydrophobicContact CZ-SD 4.24Å; P92-M96 WeakPolarHBondContact O-CG 3.48Å; P92-M96 PolarHBondContact O-N 3.11Å; P92-M96 VanDerWaalsContact O-N 3.15Å; L94-M96 VanDerWaalsContact C-N 3.33Å; L94-M96 PolarHBondContact O-N 3.4Å; M96-A100 PolarHBondContact O-N 3.22Å
97L90.8Very high92.8Very high3 Ų348.3 Ų48.32%0.01628%0.284CS..Hα-helixtrans-67.7-37.8174.1-66.9177.1000111.9L15 T70 R71 G93 L94 Q95 A100 A101L15-L97 HydrophobicContact CD1-CD2 4.05Å; T70-L97 HydrophobicContact CG2-CD1 3.81Å; R71-L97 HydrophobicContact CG-CD1 4.36Å; R71-L97 HydrophobicContact CG-CD2 3.95Å; G93-L97 PolarHBondContact O-N 3.42Å; L94-L97 HydrophobicContact CD2-CD1 4.25Å; L94-L97 WeakPolarHBondContact O-CB 3.4Å; L94-L97 PolarHBondContact O-N 3.12Å; L94-L97 VanDerWaalsContact O-N 3.12Å; Q95-L97 VanDerWaalsContact C-N 3.27Å; Q95-L97 PolarHBondContact O-N 3.2Å; L97-A100 PolarHBondContact O-N 3.41Å; L97-A101 PolarHBondContact O-N 3.05Å; L97-A101 VanDerWaalsContact O-N 3.11Å
98S93.8Very high93.1Very high32 Ų3249.4 Ų49.422%0.22429%0.291CS..Hα-helixtrans-64.6-40175.8-1730000112.4L94 Q95 A100 A101 V105L94-S98 PolarHBondContact O-N 3.01Å; Q95-S98 CarbonylContact O-C 3.54Å; Q95-S98 WeakPolarHBondContact O-CA 3.21Å; Q95-S98 VanDerWaalsContact O-CB 3.32Å; Q95-S98 WeakPolarHBondContact O-CB 3.35Å; Q95-S98 PolarHBondContact O-N 2.86Å; S98-A100 VanDerWaalsContact C-N 3.32Å; S98-A101 CarbonylContact O-C 3.55Å; S98-A101 PolarHBondContact O-N 2.89Å; S98-V105 PolarHBondContact OG-O 3.08Å
99E93Very high93.3Very high146 Ų14652.4 Ų52.468%0.68230%0.296SS*.Hα-helixtrans-66.2-35.5176.4-72.1169.9-173.400111.9Q95 A101 P102Q95-E99 WeakPolarHBondContact O-CG 3.46Å; Q95-E99 PolarHBondContact O-N 2.83Å; E99-A101 VanDerWaalsContact C-N 3.31Å; E99-P102 WeakPolarHBondContact O-CD 3.22Å; E99-P102 WeakPolarHBondContact O-CG 3.37Å
100A89.4Confident93.6Very high59 Ų5949.9 Ų49.949%0.48829%0.293SS..Hα-helixtrans-78.3-13.4176.200000114.3L15 M96 L97 S98 P102L15-A100 HydrophobicContact CD1-CB 3.61Å; L15-A100 HydrophobicContact CD2-CB 3.86Å; L15-A100 HydrophobicContact CG-CB 4.04Å; M96-A100 PolarHBondContact O-N 3.22Å; L97-A100 PolarHBondContact O-N 3.41Å; S98-A100 VanDerWaalsContact C-N 3.32Å; A100-P102 VanDerWaalsContact C-CD 3.46Å
101A90.4Very high93.7Very high18 Ų1851.5 Ų51.515%0.14930%0.302CS..SBendtrans-125.966.6172.200000111.2L74 L97 S98 E99 G103 K104 V105L74-A101 HydrophobicContact CD1-CB 4.11Å; L74-A101 HydrophobicContact CD2-CB 3.97Å; L97-A101 PolarHBondContact O-N 3.05Å; L97-A101 VanDerWaalsContact O-N 3.11Å; S98-A101 CarbonylContact O-C 3.55Å; S98-A101 PolarHBondContact O-N 2.89Å; E99-A101 VanDerWaalsContact C-N 3.31Å; A101-G103 PolarHBondContact O-N 3.41Å; A101-K104 HydrophobicContact CB-CB 4.41Å; A101-K104 PolarHBondContact O-N 3.33Å; A101-K104 VanDerWaalsContact O-N 3.16Å; A101-V105 HydrophobicContact CB-CG2 4.26Å
102P89.9Confident93.7Very high106 Ų10651.1 Ų51.169%0.68830%0.3SS*.THydrogen-bonded Turntrans-54132.5-173.4-25.233.8000112.8E99 A100 K104E99-P102 WeakPolarHBondContact O-CD 3.22Å; E99-P102 WeakPolarHBondContact O-CG 3.37Å; A100-P102 VanDerWaalsContact C-CD 3.46Å; P102-K104 PolarHBondContact O-N 2.91Å
103G90.6Very high93.8Very high72 Ų7251.1 Ų51.174%0.74230%0.297SS*.THydrogen-bonded Turntrans77.5-9176.500000115.7A101A101-G103 PolarHBondContact O-N 3.41Å
104K94.1Very high94Very high58 Ų5855.7 Ų55.725%0.25233%0.325SS..THydrogen-bonded Turntrans-92-39.1180-65.3-164.5173.3-155.40113.2L74 D77 V78 Q80 L81 A101 P102L74-K104 HydrophobicContact CD2-CB 4.36Å; D77-K104 IonicContact OD1-NZ 2.77Å; D77-K104 PolarHBondContact OD1-NZ 3.35Å; V78-K104 PolarHBondContact O-NZ 2.91Å; V78-K104 VanDerWaalsContact O-NZ 3.09Å; Q80-K104 CarbonylContact C-O 3.19Å; Q80-K104 WeakPolarHBondContact CA-O 3.43Å; L81-K104 PolarHBondContact N-O 3.15Å; A101-K104 HydrophobicContact CB-CB 4.41Å; A101-K104 PolarHBondContact O-N 3.33Å; A101-K104 VanDerWaalsContact O-N 3.16Å; P102-K104 PolarHBondContact O-N 2.91Å
105V97.2Very high94.1Very high9 Ų958.7 Ų58.76%0.05534%0.336CS..EExtended strand (participates in β ladder)trans-97.8133.9-170.6-176.50000111.8L74 L81 L83 S98 A101 I107L74-V105 HydrophobicContact CD1-CG2 4.02Å; L74-V105 HydrophobicContact CD2-CG2 3.67Å; L74-V105 HydrophobicContact CG-CG2 4.36Å; L81-V105 CarbonylContact O-C 3.53Å; L81-V105 WeakPolarHBondContact O-CA 3.23Å; L83-V105 HydrophobicContact CD1-CG1 3.72Å; L83-V105 HydrophobicContact CG-CG1 4.01Å; S98-V105 PolarHBondContact OG-O 3.08Å; A101-V105 HydrophobicContact CB-CG2 4.26Å; V105-I107 HydrophobicContact CG1-CG1 3.93Å
106H96.9Very high94Very high91 Ų9161.2 Ų61.242%0.42135%0.346SS..EExtended strand (participates in β ladder)trans-123.1126.8171-66.276.4000108.8Q80 L81 L82 L83Q80-H106 PolarHBondContact NE2-ND1 3Å; L81-H106 PolarHBondContact O-N 2.98Å; L82-H106 CarbonylContact C-O 3.47Å; L82-H106 WeakPolarHBondContact CA-O 3.48Å; L82-H106 HydrophobicContact CD1-CB 4.14Å; L83-H106 PolarHBondContact N-O 2.9Å
107I98.1Very high94.1Very high48 Ų4858.7 Ų58.725%0.24633%0.333CS..EExtended strand (participates in β ladder)trans-111.1125.7-175.5-52.4170.9000109.2L83 I91 L94 Q95 V105L83-I107 HydrophobicContact CD1-CG1 4.26Å; I91-I107 HydrophobicContact CD1-CG2 3.8Å; L94-I107 VanDerWaalsContact C-CD1 3.44Å; L94-I107 HydrophobicContact CB-CD1 3.74Å; L94-I107 HydrophobicContact CB-CG1 4.45Å; L94-I107 WeakPolarHBondContact O-CD1 3.18Å; Q95-I107 HydrophobicContact CB-CD1 4.48Å; Q95-I107 HydrophobicContact CG-CD1 3.95Å; V105-I107 HydrophobicContact CG1-CG1 3.93Å
108V97.9Very high94.1Very high39 Ų3961.6 Ų61.624%0.23635%0.347CS..EExtended strand (participates in β ladder)trans-113.8119.6171.2174.60000108.4L82 L83 V84 E85 G110 Y115L82-V108 HydrophobicContact CD1-CG2 3.73Å; L83-V108 PolarHBondContact O-N 2.9Å; V84-V108 HydrophobicContact CG2-CB 4.48Å; E85-V108 PolarHBondContact N-O 3.19Å; V108-G110 PolarHBondContact O-N 3.3Å; V108-Y115 HydrophobicContact CB-CE2 4.34Å; V108-Y115 HydrophobicContact CG1-CD2 3.89Å; V108-Y115 HydrophobicContact CG1-CE2 3.68Å; V108-Y115 HydrophobicContact CG2-CE2 4.07Å
109H97.6Very high93.9Very high116 Ų11669.3 Ų69.354%0.53738%0.376SS..EExtended strand (participates in β ladder)trans-81.2103.6166.1178.1-141.4000109E85 K86 I91E85-H109 CarbonylContact O-C 3.58Å; E85-H109 VanDerWaalsContact O-CA 3.26Å; E85-H109 WeakPolarHBondContact O-CA 3.36Å; E85-H109 PolarHBondContact O-CD2 2.85Å; K86-H109 PolarHBondContact O-NE2 3.35Å; I91-H109 HydrophobicContact CD1-CB 4.03Å; I91-H109 HydrophobicContact CG1-CB 4.4Å
110G95.6Very high93.9Very high21 Ų2163.1 Ų63.122%0.21635%0.35CS..SBendtrans-174.2167-174.500000114.1E85 K86 V108E85-G110 CarbonylContact C-O 3.59Å; E85-G110 VanDerWaalsContact C-O 3.28Å; E85-G110 PolarHBondContact O-N 2.74Å; K86-G110 VanDerWaalsContact CA-O 3.32Å; K86-G110 WeakPolarHBondContact CA-O 3.39Å; K86-G110 PolarHBondContact N-O 3.23Å; V108-G110 PolarHBondContact O-N 3.3Å
111D94.8Very high94.3Very high36 Ų3660.8 Ų60.819%0.19333%0.329CS..  trans-88.5123.2175.8-167.6-25.9000110.2K86 L113 T114 Y115K86-D111 HydrophobicContact CD-CB 4.1Å; K86-D111 WeakPolarHBondContact CE-OD2 3.2Å; K86-D111 HydrophobicContact CG-CB 4.46Å; K86-D111 IonicContact NZ-OD2 2.64Å; K86-D111 PolarHBondContact NZ-OD2 2.87Å; D111-L113 PolarHBondContact O-N 3.21Å; D111-L113 WeakPolarHBondContact OD1-CB 3.32Å; D111-L113 PolarHBondContact OD1-N 2.95Å; D111-T114 PolarHBondContact O-N 3.18Å; D111-T114 PolarHBondContact O-OG1 3.17Å; D111-Y115 WeakPolarHBondContact O-CB 3.42Å; D111-Y115 PolarHBondContact O-N 3.01Å
112I95.3Very high94.5Very high14 Ų1461.9 Ų61.97%0.07234%0.335CS..THydrogen-bonded Turntrans-59.5-29.8176.6-168.368000112.9V62 V84 T114 M117 V146 L150 W154V62-I112 HydrophobicContact CB-CD1 4.39Å; V62-I112 HydrophobicContact CB-CG1 4.26Å; V62-I112 HydrophobicContact CG1-CB 3.34Å; V62-I112 HydrophobicContact CG1-CD1 3.78Å; V62-I112 HydrophobicContact CG1-CG1 3.27Å; V62-I112 HydrophobicContact CG1-CG2 3.48Å; V62-I112 VanDerWaalsContact CG1-CG2 3.48Å; V62-I112 HydrophobicContact CG2-CD1 3.7Å; V62-I112 HydrophobicContact CG2-CG1 3.91Å; V84-I112 HydrophobicContact CB-CD1 4.22Å; V84-I112 HydrophobicContact CG1-CB 4.38Å; V84-I112 HydrophobicContact CG1-CD1 4.2Å; V84-I112 HydrophobicContact CG2-CD1 4.3Å; I112-T114 PolarHBondContact O-N 3.19Å; I112-T114 VanDerWaalsContact O-N 3.13Å; I112-M117 HydrophobicContact CD1-SD 4.47Å; I112-V146 HydrophobicContact CG2-CG1 4.27Å; I112-L150 HydrophobicContact CG1-CD1 4.11Å; I112-L150 HydrophobicContact CG1-CD2 4.13Å; I112-L150 HydrophobicContact CG2-CD1 4.24Å; I112-L150 HydrophobicContact CG2-CD2 3.9Å; I112-W154 HydrophobicContact CD1-CZ2 4.36Å; I112-W154 HydrophobicContact CG1-CZ2 4.07Å
113L93.9Very high94.7Very high47 Ų4764.9 Ų64.925%0.24634%0.337CS..THydrogen-bonded Turntrans-65.4-15.3177.9-66.8171.6000111.8D111 V146 L150 R153D111-L113 PolarHBondContact O-N 3.21Å; D111-L113 WeakPolarHBondContact OD1-CB 3.32Å; D111-L113 PolarHBondContact OD1-N 2.95Å; L113-V146 HydrophobicContact CD1-CG1 4.36Å; L113-V146 HydrophobicContact CD2-CG1 4.47Å; L113-V146 HydrophobicContact CG-CG1 4.29Å; L113-L150 HydrophobicContact CD2-CB 3.95Å; L113-L150 HydrophobicContact CD2-CD1 3.95Å; L113-R153 PolarHBondContact O-NH1 3.33Å; L113-R153 PolarHBondContact O-NH2 2.99Å
114T94.3Very high94.9Very high100 Ų10069 Ų6961%0.61334%0.337SS*.THydrogen-bonded Turntrans-123.2-18177.859.80000113.3D111 I112D111-T114 PolarHBondContact O-N 3.18Å; D111-T114 PolarHBondContact O-OG1 3.17Å; I112-T114 PolarHBondContact O-N 3.19Å; I112-T114 VanDerWaalsContact O-N 3.13Å
115Y95.8Very high95Very high63 Ų6367.7 Ų67.725%0.24733%0.333CS..  trans-61.8137.8178.5-174.7-103.8000112.2L82 V84 V108 D111 M117L82-Y115 HydrophobicContact CD2-CE1 3.92Å; V84-Y115 HydrophobicContact CG1-CD1 4.44Å; V84-Y115 HydrophobicContact CG1-CG 4.2Å; V84-Y115 HydrophobicContact CG2-CD1 3.78Å; V84-Y115 HydrophobicContact CG2-CE1 3.88Å; V84-Y115 HydrophobicContact CG2-CG 4.28Å; V108-Y115 HydrophobicContact CB-CE2 4.34Å; V108-Y115 HydrophobicContact CG1-CD2 3.89Å; V108-Y115 HydrophobicContact CG1-CE2 3.68Å; V108-Y115 HydrophobicContact CG2-CE2 4.07Å; D111-Y115 WeakPolarHBondContact O-CB 3.42Å; D111-Y115 PolarHBondContact O-N 3.01Å; Y115-M117 HydrophobicContact CD1-CG 3.76Å; Y115-M117 HydrophobicContact CE1-CG 3.79Å
116K94Very high95Very high149 Ų14971.5 Ų71.565%0.64835%0.348SS*.  trans-106.4104-175.1-77.1-169.2-179-174.50110.4E118K116-E118 VanDerWaalsContact C-N 3.34Å; K116-E118 WeakPolarHBondContact CA-OE2 3.48Å; K116-E118 WeakPolarHBondContact CB-OE2 3.28Å
117M92.4Very high95.1Very high5 Ų572.4 Ų72.43%0.02535%0.351CS..G310 helixtrans-81.3-6.9-175.8-70-175.761.500114.6C60 I112 Y115 K119 A120 F121 I138 P164 Y167C60-M117 HydrophobicContact CB-CE 3.26Å; C60-M117 HydrophobicContact CB-SD 4.32Å; C60-M117 WeakPolarHBondContact SG-CE 3.48Å; I112-M117 HydrophobicContact CD1-SD 4.47Å; Y115-M117 HydrophobicContact CD1-CG 3.76Å; Y115-M117 HydrophobicContact CE1-CG 3.79Å; M117-K119 PolarHBondContact O-N 2.79Å; M117-A120 HydrophobicContact CB-CB 4.38Å; M117-A120 VanDerWaalsContact O-CB 3.24Å; M117-A120 WeakPolarHBondContact O-CB 3.38Å; M117-A120 PolarHBondContact O-N 3.42Å; M117-F121 HydrophobicContact CE-CE2 4.29Å; M117-I138 HydrophobicContact CE-CD1 4.17Å; M117-I138 HydrophobicContact CE-CG1 4.11Å; M117-I138 HydrophobicContact SD-CD1 4.33Å; M117-P164 HydrophobicContact CB-CB 4.44Å; M117-P164 HydrophobicContact CB-CG 4.29Å; M117-P164 HydrophobicContact CE-CB 4.39Å; M117-P164 HydrophobicContact SD-CB 4.18Å; M117-P164 HydrophobicContact SD-CG 3.9Å; M117-Y167 WeakPolarHBondContact O-CE2 3.36Å; M117-Y167 PolarHBondContact O-OH 3.14Å; M117-Y167 VanDerWaalsContact O-OH 3.13Å
118E90.7Very high95Very high64 Ų6475.3 Ų75.330%0.29937%0.367SS..G310 helixtrans-57.9-19.3-173.4-62.288.815100113.7K116 T166 Y167K116-E118 VanDerWaalsContact C-N 3.34Å; K116-E118 WeakPolarHBondContact CA-OE2 3.48Å; K116-E118 WeakPolarHBondContact CB-OE2 3.28Å; E118-T166 HydrophobicContact CG-CG2 3.98Å; E118-Y167 PolarHBondContact O-OH 3.17Å
119K90.5Very high95Very high194 Ų19474.4 Ų74.484%0.84336%0.359SS*.G310 helixtrans-124.410.8178.5-59-178-178.6178.50113.3M117 F121M117-K119 PolarHBondContact O-N 2.79Å; K119-F121 VanDerWaalsContact C-N 3.28Å; K119-F121 PolarHBondContact O-N 2.92Å
120A93.3Very high95.1Very high16 Ų1674.6 Ų74.613%0.13236%0.361CS..SBendtrans-64.2-31.9-179.500000113.3L82 M117 Y167L82-A120 HydrophobicContact CD2-CB 3.55Å; M117-A120 HydrophobicContact CB-CB 4.38Å; M117-A120 VanDerWaalsContact O-CB 3.24Å; M117-A120 WeakPolarHBondContact O-CB 3.38Å; M117-A120 PolarHBondContact O-N 3.42Å; A120-Y167 PolarHBondContact N-OH 3.46Å
121F96.2Very high95.1Very high10 Ų1077 Ų774%0.04437%0.368CS..SBendtrans-129.2160.6-173.9-58.1-59.7000111.9H58 C60 Q80 L82 M117 K119 L125 I136 Y167H58-F121 HydrophobicContact CB-CD1 3.75Å; H58-F121 HydrophobicContact CB-CD2 4.4Å; H58-F121 HydrophobicContact CB-CE1 3.85Å; H58-F121 HydrophobicContact CB-CE2 4.48Å; H58-F121 HydrophobicContact CB-CG 4.04Å; H58-F121 HydrophobicContact CB-CZ 4.22Å; H58-F121 AromaticContact CD2-CD1 3.84Å; C60-F121 HydrophobicContact CB-CE2 4.2Å; C60-F121 HydrophobicContact CB-CZ 4.1Å; Q80-F121 HydrophobicContact CG-CE1 4.49Å; L82-F121 HydrophobicContact CB-CE1 4.04Å; L82-F121 HydrophobicContact CB-CZ 3.95Å; M117-F121 HydrophobicContact CE-CE2 4.29Å; K119-F121 VanDerWaalsContact C-N 3.28Å; K119-F121 PolarHBondContact O-N 2.92Å; F121-L125 HydrophobicContact CB-CD1 3.88Å; F121-I136 HydrophobicContact CB-CD1 4.44Å; F121-I136 HydrophobicContact CD2-CD1 4.15Å; F121-I136 HydrophobicContact CD2-CG2 3.85Å; F121-I136 HydrophobicContact CE2-CG2 3.74Å; F121-Y167 HydrophobicContact CB-CE1 4.02Å; F121-Y167 PolarHBondContact N-OH 2.88Å; F121-Y167 PolarHBondContact O-OH 3.18Å
122P94.9Very high95.2Very high42 Ų4282.3 Ų82.327%0.27339%0.392SS..  trans-59.3140.1-179.4-24.133.1000113.7Q124 L125P122-Q124 HydrophobicContact CB-CG 4.24Å; P122-Q124 PolarHBondContact O-N 2.77Å; P122-L125 WeakPolarHBondContact O-CB 3.35Å; P122-L125 PolarHBondContact O-N 3.26Å; P122-L125 VanDerWaalsContact O-N 3.12Å
123K94.8Very high95.3Very high169 Ų16983 Ų8374%0.73540%0.397SS*.G310 helixtrans-63.4-24.3-175.7-68.3-177.2-178.5177.40113.7L125 K126K123-L125 PolarHBondContact O-N 3.43Å; K123-K126 WeakPolarHBondContact O-CB 3.5Å; K123-K126 WeakPolarHBondContact O-CG 3.47Å; K123-K126 PolarHBondContact O-N 2.96Å; K123-K126 VanDerWaalsContact O-N 3.11Å
124Q95.4Very high95.5Very high157 Ų15780.8 Ų80.873%0.73439%0.386SS*.G310 helixtrans-65.6-14.5177.163.5-90.625.300113.8P122 K126P122-Q124 HydrophobicContact CB-CG 4.24Å; P122-Q124 PolarHBondContact O-N 2.77Å; Q124-K126 VanDerWaalsContact C-N 3.28Å
125L95.9Very high95.6Very high32 Ų3279.1 Ų79.117%0.16837%0.373CS..G310 helixtrans-80.2-11.5174.9-61.3169.9000113H58 F121 P122 K123 K127 P134 I136H58-L125 HydrophobicContact CB-CD1 4.14Å; H58-L125 VanDerWaalsContact CG-CD1 3.43Å; H58-L125 WeakPolarHBondContact ND1-CD1 3.31Å; F121-L125 HydrophobicContact CB-CD1 3.88Å; P122-L125 WeakPolarHBondContact O-CB 3.35Å; P122-L125 PolarHBondContact O-N 3.26Å; P122-L125 VanDerWaalsContact O-N 3.12Å; K123-L125 PolarHBondContact O-N 3.43Å; L125-K127 PolarHBondContact O-N 3.14Å; L125-P134 WeakPolarHBondContact O-CB 3.4Å; L125-I136 HydrophobicContact CB-CD1 3.93Å; L125-I136 HydrophobicContact CB-CG1 4.35Å; L125-I136 HydrophobicContact CD1-CD1 4.19Å; L125-I136 HydrophobicContact CD1-CG1 4.26Å
126K97.1Very high95.7Very high89 Ų8976.2 Ų76.239%0.38736%0.362SS..  trans-62.9133177.5-62.9-169.6170.3-1450109.8K123 Q124 T166 Y167K123-K126 WeakPolarHBondContact O-CB 3.5Å; K123-K126 WeakPolarHBondContact O-CG 3.47Å; K123-K126 PolarHBondContact O-N 2.96Å; K123-K126 VanDerWaalsContact O-N 3.11Å; Q124-K126 VanDerWaalsContact C-N 3.28Å; K126-T166 WeakPolarHBondContact CD-O 3.1Å; K126-T166 WeakPolarHBondContact CE-O 3.15Å; K126-T166 PolarHBondContact NZ-O 3.41Å; K126-Y167 WeakPolarHBondContact CA-O 3.29Å; K126-Y167 HydrophobicContact CG-CD1 3.58Å; K126-Y167 HydrophobicContact CG-CE1 4.25Å; K126-Y167 HydrophobicContact CG-CG 4.25Å
127K97.9Very high95.9Very high109 Ų10969.5 Ų69.547%0.47433%0.333SS..  trans-114.4154173.2-65.8-64.4-172.7171.40109.7L125 D131 P134 Y167L125-K127 PolarHBondContact O-N 3.14Å; K127-D131 HydrophobicContact CB-CB 4.33Å; K127-P134 HydrophobicContact CG-CB 4.02Å; K127-Y167 PolarHBondContact N-O 3.15Å
128N97.8Very high96.2Very high109 Ų10969.3 Ų69.358%0.58333%0.332SS*.  trans-64.5159.4168.3-56.1-58.7000109.1E130 D131N128-E130 VanDerWaalsContact C-N 3.26Å; N128-E130 PolarHBondContact O-N 3.27Å; N128-D131 VanDerWaalsContact CB-OD2 3.3Å; N128-D131 WeakPolarHBondContact CB-OD2 3.46Å; N128-D131 PolarHBondContact N-OD2 3.44Å; N128-D131 PolarHBondContact ND2-OD2 3.08Å; N128-D131 PolarHBondContact O-N 3.31Å
129W98.1Very high96.6Very high20 Ų2066.2 Ų66.28%0.07632%0.318CS..SBendtrans-65.8-34.5-175.5-167.6-96.1000112.2V158 R161 F165 R169 P232 L233 V234W129-V158 HydrophobicContact CH2-CG1 4.05Å; W129-V158 HydrophobicContact CZ2-CG1 4.08Å; W129-R161 HydrophobicContact CD2-CG 4.18Å; W129-R161 HydrophobicContact CE3-CB 4.27Å; W129-R161 HydrophobicContact CE3-CG 3.94Å; W129-R161 HydrophobicContact CH2-CG 4.16Å; W129-R161 HydrophobicContact CZ2-CG 4.4Å; W129-R161 HydrophobicContact CZ3-CB 4.13Å; W129-R161 HydrophobicContact CZ3-CG 3.93Å; W129-F165 HydrophobicContact CH2-CB 4.26Å; W129-F165 HydrophobicContact CZ3-CB 3.96Å; W129-R169 HydrophobicContact CD2-CG 3.77Å; W129-R169 HydrophobicContact CE3-CG 4.01Å; W129-R169 HydrophobicContact CG-CG 4.29Å; W129-R169 HydrophobicContact CH2-CG 4.15Å; W129-R169 HydrophobicContact CZ2-CG 3.9Å; W129-R169 HydrophobicContact CZ3-CG 4.19Å; W129-R169 WeakPolarHBondContact O-CD 3.18Å; W129-R169 PolarHBondContact O-NE 2.82Å; W129-P232 HydrophobicContact CH2-CB 4.04Å; W129-P232 HydrophobicContact CZ2-CB 3.96Å; W129-L233 PolarHBondContact NE1-O 3.33Å; W129-V234 VanDerWaalsContact CD1-O 3.26Å; W129-V234 PolarHBondContact NE1-O 3.37Å; W129-V234 VanDerWaalsContact NE1-O 3.15Å
130E97.9Very high96.9Very high121 Ų12157 Ų5757%0.56528%0.278SS*.SBendtrans-78.4-19-178-58.575.4-161.400113.3N128 V234N128-E130 VanDerWaalsContact C-N 3.26Å; N128-E130 PolarHBondContact O-N 3.27Å; E130-V234 HydrophobicContact CB-CG1 4.39Å; E130-V234 HydrophobicContact CG-CG1 4.27Å
131D97.5Very high97Very high70 Ų7057.5 Ų57.537%0.37428%0.278SS..SBendtrans-72.5173.7177.4-66-29.8000111.3K127 N128 R169K127-D131 HydrophobicContact CB-CB 4.33Å; N128-D131 VanDerWaalsContact CB-OD2 3.3Å; N128-D131 WeakPolarHBondContact CB-OD2 3.46Å; N128-D131 PolarHBondContact N-OD2 3.44Å; N128-D131 PolarHBondContact ND2-OD2 3.08Å; N128-D131 PolarHBondContact O-N 3.31Å; D131-R169 PolarHBondContact O-NE 3.23Å; D131-R169 PolarHBondContact O-NH2 2.98Å
132E96.3Very high96.6Very high148 Ų14857.6 Ų57.669%0.69228%0.279SS*.SBendtrans-55.3150.2167.2-68.1-54.6140.500112
133P97.4Very high96.3Very high29 Ų2956.7 Ų56.719%0.18827%0.273CS..PPolyproline II helixtrans-51.4143.4178.1-26.236.3000111.9Q171 T231P133-Q171 HydrophobicContact CB-CG 4.11Å; P133-Q171 HydrophobicContact CG-CG 4.39Å; P133-T231 HydrophobicContact CG-CG2 4.47Å
134P97.4Very high95.9Very high1 Ų150.1 Ų50.11%0.00625%0.245CC..PPolyproline II helixtrans-60.1154171.930.6-37.1000109.4L125 K127 I136 Y167L125-P134 WeakPolarHBondContact O-CB 3.4Å; K127-P134 HydrophobicContact CG-CB 4.02Å; P134-I136 HydrophobicContact CB-CB 4.42Å; P134-I136 HydrophobicContact CB-CD1 4.26Å; P134-I136 HydrophobicContact CB-CG1 4.15Å; P134-I136 HydrophobicContact CG-CB 4.35Å; P134-I136 PolarHBondContact O-N 2.98Å; P134-Y167 WeakPolarHBondContact CB-O 3.17Å; P134-Y167 WeakPolarHBondContact CG-O 3.08Å
135N96.9Very high95.5Very high65 Ų6546.2 Ų46.235%0.34824%0.235SC..SBendtrans-75.454174-164.111.8000111.1N56 A57 H58N56-N135 PolarHBondContact O-ND2 3.05Å; A57-N135 WeakPolarHBondContact CA-ND2 3.38Å; A57-N135 WeakPolarHBondContact CA-OD1 3.34Å; A57-N135 WeakPolarHBondContact CB-OD1 3.42Å; H58-N135 PolarHBondContact N-O 3.47Å
136I98Very high95.3Very high1 Ų146.3 Ų46.31%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-130.9126.3-178.5-56.7178.4000107.8H58 F121 L125 P134 Y167 T170H58-I136 HydrophobicContact CB-CG1 4.24Å; H58-I136 CarbonylContact O-C 3.6Å; H58-I136 WeakPolarHBondContact O-CA 3.37Å; F121-I136 HydrophobicContact CB-CD1 4.44Å; F121-I136 HydrophobicContact CD2-CD1 4.15Å; F121-I136 HydrophobicContact CD2-CG2 3.85Å; F121-I136 HydrophobicContact CE2-CG2 3.74Å; L125-I136 HydrophobicContact CB-CD1 3.93Å; L125-I136 HydrophobicContact CB-CG1 4.35Å; L125-I136 HydrophobicContact CD1-CD1 4.19Å; L125-I136 HydrophobicContact CD1-CG1 4.26Å; P134-I136 HydrophobicContact CB-CB 4.42Å; P134-I136 HydrophobicContact CB-CD1 4.26Å; P134-I136 HydrophobicContact CB-CG1 4.15Å; P134-I136 HydrophobicContact CG-CB 4.35Å; P134-I136 PolarHBondContact O-N 2.98Å; I136-Y167 HydrophobicContact CD1-CD1 3.49Å; I136-Y167 VanDerWaalsContact CD1-CD1 3.49Å; I136-Y167 HydrophobicContact CD1-CD2 3.99Å; I136-Y167 HydrophobicContact CD1-CE1 4.14Å; I136-Y167 HydrophobicContact CD1-CG 3.42Å; I136-Y167 VanDerWaalsContact CD1-CG 3.42Å; I136-T170 HydrophobicContact CB-CG2 4.13Å; I136-T170 HydrophobicContact CG2-CG2 3.79Å; I136-T170 WeakPolarHBondContact O-CG2 3.41Å
137H98.6Very high95.1Very high9 Ų942.1 Ų42.14%0.04222%0.219CC..EExtended strand (participates in β ladder)trans-125.7136.3-178.2-60.2-102.6000110.5A51 L54 H58 V59 C60 I139 Q171A51-H137 PolarHBondContact O-CE1 2.73Å; A51-H137 VanDerWaalsContact O-CE1 3.23Å; A51-H137 PolarHBondContact O-ND1 2.97Å; L54-H137 HydrophobicContact CD2-CB 3.96Å; L54-H137 VanDerWaalsContact CD2-CG 3.49Å; H58-H137 PolarHBondContact O-N 2.92Å; V59-H137 CarbonylContact C-O 3.6Å; V59-H137 WeakPolarHBondContact CA-O 3.21Å; V59-H137 HydrophobicContact CG2-CB 4.44Å; C60-H137 PolarHBondContact N-O 2.86Å; H137-I139 HydrophobicContact CB-CG1 4.46Å; H137-Q171 PolarHBondContact CE1-OE1 2.85Å
138I98.6Very high94.9Very high0 Ų038.9 Ų38.90%021%0.208CC..EExtended strand (participates in β ladder)trans-104123.4171.7-58.5173.8000107.8C60 V62 M117 W154 P164 T170 Q171 M172 T173C60-I138 HydrophobicContact CB-CG1 4.48Å; C60-I138 WeakPolarHBondContact O-CA 3.36Å; V62-I138 HydrophobicContact CG2-CG2 4.03Å; M117-I138 HydrophobicContact CE-CD1 4.17Å; M117-I138 HydrophobicContact CE-CG1 4.11Å; M117-I138 HydrophobicContact SD-CD1 4.33Å; I138-W154 HydrophobicContact CG2-CH2 3.46Å; I138-W154 VanDerWaalsContact CG2-CH2 3.46Å; I138-W154 HydrophobicContact CG2-CZ2 4.17Å; I138-W154 HydrophobicContact CG2-CZ3 3.89Å; I138-P164 HydrophobicContact CD1-CB 3.56Å; I138-P164 HydrophobicContact CD1-CG 4.08Å; I138-T170 HydrophobicContact CD1-CG2 3.96Å; I138-T170 HydrophobicContact CG1-CG2 3.95Å; I138-Q171 PolarHBondContact N-O 3.25Å; I138-M172 HydrophobicContact CB-CG 4.06Å; I138-M172 HydrophobicContact CD1-CG 4.13Å; I138-M172 CarbonylContact O-C 3.57Å; I138-M172 WeakPolarHBondContact O-CA 3.11Å; I138-T173 PolarHBondContact O-N 2.9Å
139I98.6Very high94.8Very high0 Ų036.6 Ų36.60%020%0.199CC..EExtended strand (participates in β ladder)trans-127.9139.9-177.7-53.6179.1000108.4I47 A51 L54 V59 C60 E61 V62 I69 I73 H137 T173I47-I139 HydrophobicContact CG2-CG2 4.15Å; A51-I139 HydrophobicContact CB-CD1 3.54Å; A51-I139 HydrophobicContact CB-CG1 3.99Å; L54-I139 HydrophobicContact CD1-CD1 3.78Å; V59-I139 HydrophobicContact CG1-CD1 3.88Å; V59-I139 HydrophobicContact CG1-CG1 4.13Å; C60-I139 PolarHBondContact O-N 3.32Å; E61-I139 CarbonylContact C-O 3.52Å; E61-I139 VanDerWaalsContact CA-O 3.24Å; E61-I139 WeakPolarHBondContact CA-O 3.16Å; V62-I139 PolarHBondContact N-O 3.07Å; I69-I139 HydrophobicContact CG2-CG2 3.86Å; I73-I139 HydrophobicContact CD1-CB 4.37Å; I73-I139 HydrophobicContact CD1-CD1 4.17Å; I73-I139 HydrophobicContact CG1-CD1 4.19Å; H137-I139 HydrophobicContact CB-CG1 4.46Å; I139-T173 WeakPolarHBondContact CA-O 3.43Å
140G96.6Very high94.7Very high1 Ų135.7 Ų35.71%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-166.5136.7178.100000114.2T173 L174 T175G140-T173 PolarHBondContact N-O 3.15Å; G140-T173 VanDerWaalsContact N-O 3.11Å; G140-L174 WeakPolarHBondContact O-CA 3.31Å; G140-T175 PolarHBondContact O-N 2.99Å; G140-T175 VanDerWaalsContact O-N 3.09Å
141N94.9Very high94.7Very high26 Ų2630 Ų3014%0.13917%0.169CC..  trans-105.585.6165.3175.354000109.4N36 I69 T175N36-N141 PolarHBondContact O-ND2 3.1Å; I69-N141 HydrophobicContact CD1-CB 3.54Å; N141-T175 VanDerWaalsContact CA-OG1 3.29Å; N141-T175 WeakPolarHBondContact CA-OG1 3.42Å; N141-T175 HydrophobicContact CB-CG2 4.04Å; N141-T175 WeakPolarHBondContact OD1-CG2 3.49Å; N141-T175 PolarHBondContact OD1-OG1 3.25Å
142L88.1Confident94.6Very high11 Ų1128.2 Ų28.26%0.05816%0.159CC..  trans-94.4151.3-168.9-64.9171.4000112.5V62 F144 L150V62-L142 HydrophobicContact CB-CD1 4.44Å; V62-L142 HydrophobicContact CB-CD2 4.02Å; V62-L142 HydrophobicContact CG1-CD1 4.08Å; V62-L142 HydrophobicContact CG1-CD2 3.51Å; V62-L142 HydrophobicContact CG1-CG 4.33Å; V62-L142 WeakPolarHBondContact O-CD2 3.17Å; L142-F144 PolarHBondContact O-N 3.4Å; L142-L150 HydrophobicContact CD1-CD2 3.32Å
143P87.9Confident94.7Very high24 Ų2425.9 Ų25.916%0.15614%0.144CC..  trans-51.5139.9163.9-25.334.9000111.1L33 S34 S145 V146 S147L33-P143 WeakPolarHBondContact O-CB 3.41Å; L33-P143 WeakPolarHBondContact O-CG 3.39Å; S34-P143 WeakPolarHBondContact O-CB 3.08Å; P143-S145 PolarHBondContact O-N 3.21Å; P143-V146 HydrophobicContact CB-CG2 4.22Å; P143-V146 WeakPolarHBondContact O-CA 3.48Å; P143-V146 PolarHBondContact O-N 2.71Å; P143-S147 PolarHBondContact O-N 3.22Å
144F86.6Confident94.7Very high31 Ų3124.9 Ų24.914%0.13614%0.136CC..Hα-helixtrans-62.8-29.6-174.6-52.2-41.8000113.6L142 V146 Q177 P221 V223 V225L142-F144 PolarHBondContact O-N 3.4Å; F144-V146 PolarHBondContact O-N 2.89Å; F144-Q177 HydrophobicContact CB-CG 3.85Å; F144-Q177 HydrophobicContact CD1-CG 3.49Å; F144-Q177 VanDerWaalsContact CD1-CG 3.49Å; F144-Q177 HydrophobicContact CD2-CG 3.34Å; F144-Q177 VanDerWaalsContact CD2-NE2 3.35Å; F144-Q177 HydrophobicContact CE1-CG 3.77Å; F144-Q177 HydrophobicContact CE2-CG 3.63Å; F144-Q177 HydrophobicContact CG-CG 3.27Å; F144-Q177 HydrophobicContact CZ-CG 3.84Å; F144-P221 HydrophobicContact CE2-CB 3.97Å; F144-P221 HydrophobicContact CZ-CB 4.24Å; F144-V223 HydrophobicContact CE2-CG2 4.31Å; F144-V225 HydrophobicContact CE1-CG2 4.01Å; F144-V225 HydrophobicContact CZ-CG2 3.68Å
145S87.8Confident94.8Very high75 Ų7524.9 Ų24.952%0.52414%0.136SC..Hα-helixtrans-65.9-21.2173.453.90000113.2P143 P149P143-S145 PolarHBondContact O-N 3.21Å; S145-P149 VanDerWaalsContact O-CD 3.32Å; S145-P149 WeakPolarHBondContact O-CD 3.36Å; S145-P149 WeakPolarHBondContact O-CG 3.44Å
146V91.8Very high94.9Very high33 Ų3325.1 Ų25.120%0.214%0.136CC..Hα-helixtrans-101.9-39.1-179.1-179.70000111.5I112 L113 P143 F144 T148 P149 L150I112-V146 HydrophobicContact CG2-CG1 4.27Å; L113-V146 HydrophobicContact CD1-CG1 4.36Å; L113-V146 HydrophobicContact CD2-CG1 4.47Å; L113-V146 HydrophobicContact CG-CG1 4.29Å; P143-V146 HydrophobicContact CB-CG2 4.22Å; P143-V146 WeakPolarHBondContact O-CA 3.48Å; P143-V146 PolarHBondContact O-N 2.71Å; F144-V146 PolarHBondContact O-N 2.89Å; V146-T148 PolarHBondContact O-N 2.54Å; V146-P149 VanDerWaalsContact O-CD 3.23Å; V146-P149 WeakPolarHBondContact O-CD 3.27Å; V146-P149 VanDerWaalsContact O-CG 3.29Å; V146-P149 WeakPolarHBondContact O-CG 3.46Å; V146-L150 WeakPolarHBondContact O-CB 3.18Å; V146-L150 PolarHBondContact O-N 3.25Å
147S93.6Very high94.9Very high2 Ų226 Ų261%0.01414%0.14CC..Hα-helixtrans-62.8-40.6-173.565.20000113.3P143 L150 I151 F176P143-S147 PolarHBondContact O-N 3.22Å; S147-L150 PolarHBondContact O-N 2.67Å; S147-I151 WeakPolarHBondContact O-CG2 3.24Å; S147-I151 PolarHBondContact O-N 3.43Å; S147-F176 WeakPolarHBondContact OG-CD1 3.16Å
148T92.6Very high94.9Very high41 Ų4125.8 Ų25.825%0.25214%0.14SC..Hα-helixtrans-67.3-50.6179.8-57.90000113.6V146 L150 I151 I152V146-T148 PolarHBondContact O-N 2.54Å; T148-L150 VanDerWaalsContact C-N 3.29Å; T148-L150 PolarHBondContact O-N 2.72Å; T148-I151 WeakPolarHBondContact O-CG2 3.16Å; T148-I152 HydrophobicContact CG2-CD1 4.18Å; T148-I152 WeakPolarHBondContact O-CG1 3.43Å; T148-I152 PolarHBondContact O-N 3.03Å
149P94.8Very high94.9Very high60 Ų6027.4 Ų27.439%0.3915%0.151SC..Hα-helixtrans-64.4-35.1174.722.6-31.3000112.3S145 V146 I152 R153S145-P149 VanDerWaalsContact O-CD 3.32Å; S145-P149 WeakPolarHBondContact O-CD 3.36Å; S145-P149 WeakPolarHBondContact O-CG 3.44Å; V146-P149 VanDerWaalsContact O-CD 3.23Å; V146-P149 WeakPolarHBondContact O-CD 3.27Å; V146-P149 VanDerWaalsContact O-CG 3.29Å; V146-P149 WeakPolarHBondContact O-CG 3.46Å; P149-I152 PolarHBondContact O-N 3.04Å; P149-R153 PolarHBondContact O-N 2.77Å
150L96.7Very high94.9Very high2 Ų231.6 Ų31.61%0.0117%0.173CC..Hα-helixtrans-64.4-47.3178.9-17564.4000112.2V62 I112 L113 L142 V146 S147 T148 I152 R153 W154V62-L150 HydrophobicContact CG1-CD2 4.44Å; I112-L150 HydrophobicContact CG1-CD1 4.11Å; I112-L150 HydrophobicContact CG1-CD2 4.13Å; I112-L150 HydrophobicContact CG2-CD1 4.24Å; I112-L150 HydrophobicContact CG2-CD2 3.9Å; L113-L150 HydrophobicContact CD2-CB 3.95Å; L113-L150 HydrophobicContact CD2-CD1 3.95Å; L142-L150 HydrophobicContact CD1-CD2 3.32Å; V146-L150 WeakPolarHBondContact O-CB 3.18Å; V146-L150 PolarHBondContact O-N 3.25Å; S147-L150 PolarHBondContact O-N 2.67Å; T148-L150 VanDerWaalsContact C-N 3.29Å; T148-L150 PolarHBondContact O-N 2.72Å; L150-I152 VanDerWaalsContact C-N 3.32Å; L150-I152 PolarHBondContact O-N 3.24Å; L150-R153 PolarHBondContact O-N 2.99Å; L150-W154 HydrophobicContact CD1-CD2 4.09Å; L150-W154 HydrophobicContact CD1-CH2 4.24Å; L150-W154 HydrophobicContact CD1-CZ2 3.75Å; L150-W154 HydrophobicContact CD2-CE3 4.25Å; L150-W154 HydrophobicContact CD2-CH2 3.41Å; L150-W154 VanDerWaalsContact CD2-CH2 3.41Å; L150-W154 HydrophobicContact CD2-CZ2 3.78Å; L150-W154 HydrophobicContact CD2-CZ3 3.67Å; L150-W154 HydrophobicContact CG-CD2 3.92Å; L150-W154 HydrophobicContact CG-CE3 3.89Å; L150-W154 HydrophobicContact CG-CH2 3.84Å; L150-W154 HydrophobicContact CG-CZ2 3.87Å; L150-W154 HydrophobicContact CG-CZ3 3.84Å; L150-W154 PolarHBondContact O-N 2.83Å
151I97.8Very high94.9Very high0 Ų037.1 Ų37.10%019%0.194CC..Hα-helixtrans-66.2-34.8179.1-166.757.8000111.8S147 T148 W154 L155 M172 L174 F176 F230S147-I151 WeakPolarHBondContact O-CG2 3.24Å; S147-I151 PolarHBondContact O-N 3.43Å; T148-I151 WeakPolarHBondContact O-CG2 3.16Å; I151-W154 PolarHBondContact O-N 2.83Å; I151-L155 HydrophobicContact CG1-CD1 4.39Å; I151-L155 HydrophobicContact CG1-CG 4.44Å; I151-L155 WeakPolarHBondContact O-CB 3.39Å; I151-L155 WeakPolarHBondContact O-CG 3.44Å; I151-L155 PolarHBondContact O-N 2.95Å; I151-M172 HydrophobicContact CD1-CE 4.36Å; I151-M172 HydrophobicContact CD1-SD 4.12Å; I151-L174 HydrophobicContact CD1-CD1 4.1Å; I151-F176 HydrophobicContact CB-CE1 4.2Å; I151-F176 HydrophobicContact CB-CZ 4Å; I151-F176 HydrophobicContact CG1-CZ 4.21Å; I151-F176 HydrophobicContact CG2-CE1 3.86Å; I151-F176 HydrophobicContact CG2-CZ 4.08Å; I151-F230 HydrophobicContact CD1-CD1 4.24Å; I151-F230 HydrophobicContact CD1-CD2 4.44Å; I151-F230 HydrophobicContact CD1-CE1 3.99Å; I151-F230 HydrophobicContact CD1-CE2 4.23Å; I151-F230 HydrophobicContact CD1-CG 4.46Å; I151-F230 HydrophobicContact CD1-CZ 3.98Å; I151-F230 HydrophobicContact CG1-CE1 4.03Å; I151-F230 HydrophobicContact CG1-CZ 3.95Å
152I96.8Very high95Very high34 Ų3438.8 Ų38.817%0.17420%0.203CC..Hα-helixtrans-62.1-46.4174.5-68.6168.7000110.5T148 P149 L150 L155 E156 L196 F242T148-I152 HydrophobicContact CG2-CD1 4.18Å; T148-I152 WeakPolarHBondContact O-CG1 3.43Å; T148-I152 PolarHBondContact O-N 3.03Å; P149-I152 PolarHBondContact O-N 3.04Å; L150-I152 VanDerWaalsContact C-N 3.32Å; L150-I152 PolarHBondContact O-N 3.24Å; I152-L155 PolarHBondContact O-N 3.39Å; I152-E156 PolarHBondContact O-N 3.39Å; I152-L196 HydrophobicContact CD1-CD1 4.37Å; I152-L196 HydrophobicContact CG1-CD1 4.07Å; I152-F242 HydrophobicContact CG2-CZ 4.32Å
153R97.6Very high95.4Very high98 Ų9838.4 Ų38.437%0.3720%0.202SC..Hα-helixtrans-61.8-43.6175.7176.3173.7172.2159.5-15.7112L113 P149 L150 L155 E156 N157L113-R153 PolarHBondContact O-NH1 3.33Å; L113-R153 PolarHBondContact O-NH2 2.99Å; P149-R153 PolarHBondContact O-N 2.77Å; L150-R153 PolarHBondContact O-N 2.99Å; R153-L155 VanDerWaalsContact C-N 3.32Å; R153-L155 PolarHBondContact O-N 3.18Å; R153-E156 WeakPolarHBondContact O-CB 3.48Å; R153-E156 PolarHBondContact O-N 2.83Å; R153-N157 VanDerWaalsContact O-CG 3.3Å; R153-N157 PolarHBondContact O-N 3.03Å; R153-N157 PolarHBondContact O-OD1 3.19Å; R153-N157 VanDerWaalsContact O-OD1 3.12Å
154W98.3Very high95.9Very high8 Ų837.6 Ų37.63%0.0320%0.196CC..Hα-helixtrans-67.5-32177.3-75.9-19.9000112.9V62 I112 I138 L150 I151 E156 N157 V158 F165 M172 L174V62-W154 HydrophobicContact CG2-CH2 3.97Å; V62-W154 HydrophobicContact CG2-CZ2 4.44Å; I112-W154 HydrophobicContact CD1-CZ2 4.36Å; I112-W154 HydrophobicContact CG1-CZ2 4.07Å; I138-W154 HydrophobicContact CG2-CH2 3.46Å; I138-W154 VanDerWaalsContact CG2-CH2 3.46Å; I138-W154 HydrophobicContact CG2-CZ2 4.17Å; I138-W154 HydrophobicContact CG2-CZ3 3.89Å; L150-W154 HydrophobicContact CD1-CD2 4.09Å; L150-W154 HydrophobicContact CD1-CH2 4.24Å; L150-W154 HydrophobicContact CD1-CZ2 3.75Å; L150-W154 HydrophobicContact CD2-CE3 4.25Å; L150-W154 HydrophobicContact CD2-CH2 3.41Å; L150-W154 VanDerWaalsContact CD2-CH2 3.41Å; L150-W154 HydrophobicContact CD2-CZ2 3.78Å; L150-W154 HydrophobicContact CD2-CZ3 3.67Å; L150-W154 HydrophobicContact CG-CD2 3.92Å; L150-W154 HydrophobicContact CG-CE3 3.89Å; L150-W154 HydrophobicContact CG-CH2 3.84Å; L150-W154 HydrophobicContact CG-CZ2 3.87Å; L150-W154 HydrophobicContact CG-CZ3 3.84Å; L150-W154 PolarHBondContact O-N 2.83Å; I151-W154 PolarHBondContact O-N 2.83Å; W154-E156 VanDerWaalsContact C-N 3.34Å; W154-N157 CarbonylContact O-C 3.56Å; W154-N157 PolarHBondContact O-N 3.37Å; W154-N157 VanDerWaalsContact O-N 3.17Å; W154-V158 WeakPolarHBondContact O-CG2 3.34Å; W154-V158 PolarHBondContact O-N 2.74Å; W154-F165 HydrophobicContact CB-CE2 3.93Å; W154-F165 HydrophobicContact CB-CZ 4.08Å; W154-F165 HydrophobicContact CG-CE2 4.28Å; W154-F165 HydrophobicContact CG-CZ 4.48Å; W154-F165 WeakPolarHBondContact O-CE2 3.36Å; W154-M172 HydrophobicContact CB-SD 4.16Å; W154-M172 HydrophobicContact CD2-SD 4.13Å; W154-M172 HydrophobicContact CE3-CG 4.49Å; W154-M172 HydrophobicContact CE3-SD 3.56Å; W154-M172 VanDerWaalsContact CE3-SD 3.56Å; W154-M172 HydrophobicContact CG-SD 4.43Å; W154-M172 HydrophobicContact CZ3-SD 4.25Å; W154-L174 HydrophobicContact CE3-CD1 4.03Å; W154-L174 HydrophobicContact CZ3-CD1 3.63Å; W154-L174 HydrophobicContact CZ3-CD2 4Å; W154-L174 HydrophobicContact CZ3-CG 4.4Å
155L98.6Very high96.4Very high1 Ų136.2 Ų36.21%0.00519%0.19CC..Hα-helixtrans-63.9-40.6170.4-71.1168000111.3I151 I152 R153 N157 V158 S159 M199 L203 F242I151-L155 HydrophobicContact CG1-CD1 4.39Å; I151-L155 HydrophobicContact CG1-CG 4.44Å; I151-L155 WeakPolarHBondContact O-CB 3.39Å; I151-L155 WeakPolarHBondContact O-CG 3.44Å; I151-L155 PolarHBondContact O-N 2.95Å; I152-L155 PolarHBondContact O-N 3.39Å; R153-L155 VanDerWaalsContact C-N 3.32Å; R153-L155 PolarHBondContact O-N 3.18Å; L155-N157 VanDerWaalsContact C-N 3.3Å; L155-N157 PolarHBondContact O-N 3.33Å; L155-V158 PolarHBondContact O-N 3.34Å; L155-S159 PolarHBondContact O-N 3.26Å; L155-M199 HydrophobicContact CD1-CB 4.4Å; L155-L203 HydrophobicContact CB-CD1 3.97Å; L155-L203 HydrophobicContact CD2-CB 4.21Å; L155-L203 HydrophobicContact CD2-CD1 4.16Å; L155-L203 WeakPolarHBondContact O-CD1 3.24Å; L155-F242 HydrophobicContact CB-CE2 3.97Å
156E98.4Very high96.9Very high71 Ų7134.4 Ų34.433%0.33218%0.176SC..Hα-helixtrans-60.1-42.7170.3-175.1172.2-153.300111.3I152 R153 W154 V158 S159 N160 F242I152-E156 PolarHBondContact O-N 3.39Å; R153-E156 WeakPolarHBondContact O-CB 3.48Å; R153-E156 PolarHBondContact O-N 2.83Å; W154-E156 VanDerWaalsContact C-N 3.34Å; E156-V158 VanDerWaalsContact C-N 3.35Å; E156-V158 PolarHBondContact O-N 2.91Å; E156-S159 WeakPolarHBondContact O-CB 3.18Å; E156-S159 PolarHBondContact O-N 2.84Å; E156-S159 VanDerWaalsContact O-N 3.14Å; E156-N160 PolarHBondContact O-N 3.34Å; E156-F242 HydrophobicContact CB-CD1 3.8Å; E156-F242 HydrophobicContact CB-CD2 4.1Å; E156-F242 HydrophobicContact CB-CE1 3.81Å; E156-F242 HydrophobicContact CB-CE2 4.07Å; E156-F242 HydrophobicContact CB-CG 3.95Å; E156-F242 HydrophobicContact CB-CZ 3.93Å; E156-F242 HydrophobicContact CG-CB 4.27Å; E156-F242 HydrophobicContact CG-CD1 3.74Å; E156-F242 HydrophobicContact CG-CE1 4.19Å; E156-F242 HydrophobicContact CG-CG 3.94Å
157N98.4Very high97.2Very high20 Ų2032.9 Ų32.911%0.10717%0.167CC..Hα-helixtrans-65.9-33.8176.4-60.6137.2000113.2R153 W154 L155 N160 R161 D162 F165R153-N157 VanDerWaalsContact O-CG 3.3Å; R153-N157 PolarHBondContact O-N 3.03Å; R153-N157 PolarHBondContact O-OD1 3.19Å; R153-N157 VanDerWaalsContact O-OD1 3.12Å; W154-N157 CarbonylContact O-C 3.56Å; W154-N157 PolarHBondContact O-N 3.37Å; W154-N157 VanDerWaalsContact O-N 3.17Å; L155-N157 VanDerWaalsContact C-N 3.3Å; L155-N157 PolarHBondContact O-N 3.33Å; N157-N160 CarbonylContact O-C 3.53Å; N157-N160 PolarHBondContact O-N 3.48Å; N157-R161 CarbonylContact O-C 3.55Å; N157-R161 VanDerWaalsContact O-CA 3.28Å; N157-R161 WeakPolarHBondContact O-CA 3.44Å; N157-R161 PolarHBondContact O-N 3.11Å; N157-D162 WeakPolarHBondContact CA-OD1 3.19Å; N157-D162 WeakPolarHBondContact CB-OD1 3.49Å; N157-D162 PolarHBondContact ND2-OD1 2.97Å; N157-D162 PolarHBondContact O-N 2.99Å; N157-F165 HydrophobicContact CB-CD2 3.6Å; N157-F165 HydrophobicContact CB-CE2 3.8Å
158V98.6Very high97.4Very high4 Ų433 Ų332%0.02417%0.168CC..Hα-helixtrans-62.3-46170.5171.10000109.9W129 W154 L155 E156 N160 R161 F165 L203 P232W129-V158 HydrophobicContact CH2-CG1 4.05Å; W129-V158 HydrophobicContact CZ2-CG1 4.08Å; W154-V158 WeakPolarHBondContact O-CG2 3.34Å; W154-V158 PolarHBondContact O-N 2.74Å; L155-V158 PolarHBondContact O-N 3.34Å; E156-V158 VanDerWaalsContact C-N 3.35Å; E156-V158 PolarHBondContact O-N 2.91Å; V158-N160 VanDerWaalsContact C-N 3.29Å; V158-N160 PolarHBondContact O-N 3.44Å; V158-R161 PolarHBondContact O-N 3.03Å; V158-F165 HydrophobicContact CB-CD2 4.46Å; V158-F165 HydrophobicContact CG2-CD1 3.7Å; V158-F165 HydrophobicContact CG2-CD2 3.79Å; V158-F165 HydrophobicContact CG2-CE1 3.42Å; V158-F165 VanDerWaalsContact CG2-CE1 3.42Å; V158-F165 HydrophobicContact CG2-CE2 3.53Å; V158-F165 HydrophobicContact CG2-CG 3.88Å; V158-F165 HydrophobicContact CG2-CZ 3.33Å; V158-L203 HydrophobicContact CG1-CB 3.91Å; V158-L203 HydrophobicContact CG1-CD2 4.29Å; V158-P232 HydrophobicContact CG1-CB 3.96Å; V158-P232 HydrophobicContact CG1-CG 4.48Å; V158-P232 HydrophobicContact CG2-CB 4.38Å; V158-P232 HydrophobicContact CG2-CG 4.02Å
159S98.4Very high97.7Very high34 Ų3432 Ų3224%0.23816%0.159CC..Hα-helixtrans-60.4-40.1178.3-1750000112L155 E156L155-S159 PolarHBondContact O-N 3.26Å; E156-S159 WeakPolarHBondContact O-CB 3.18Å; E156-S159 PolarHBondContact O-N 2.84Å; E156-S159 VanDerWaalsContact O-N 3.14Å
160N97.8Very high97.9Very high88 Ų8829.1 Ų29.147%0.47114%0.141SC..Hα-helixtrans-87.3-8.8-179.7-64.3-19.4000113.2E156 N157 V158 D162E156-N160 PolarHBondContact O-N 3.34Å; N157-N160 CarbonylContact O-C 3.53Å; N157-N160 PolarHBondContact O-N 3.48Å; V158-N160 VanDerWaalsContact C-N 3.29Å; V158-N160 PolarHBondContact O-N 3.44Å; N160-D162 HydrophobicContact CB-CB 4.47Å; N160-D162 PolarHBondContact O-N 3.17Å
161R97.7Very high97.9Very high117 Ų11730.8 Ų30.844%0.44215%0.148SC..THydrogen-bonded Turntrans54.337.4-173.3-52-179.5-178.5-171.8-3.5112.9W129 N157 V158W129-R161 HydrophobicContact CD2-CG 4.18Å; W129-R161 HydrophobicContact CE3-CB 4.27Å; W129-R161 HydrophobicContact CE3-CG 3.94Å; W129-R161 HydrophobicContact CH2-CG 4.16Å; W129-R161 HydrophobicContact CZ2-CG 4.4Å; W129-R161 HydrophobicContact CZ3-CB 4.13Å; W129-R161 HydrophobicContact CZ3-CG 3.93Å; N157-R161 CarbonylContact O-C 3.55Å; N157-R161 VanDerWaalsContact O-CA 3.28Å; N157-R161 WeakPolarHBondContact O-CA 3.44Å; N157-R161 PolarHBondContact O-N 3.11Å; V158-R161 PolarHBondContact O-N 3.03Å
162D97.3Very high98Very high60 Ų6030.8 Ų30.832%0.32115%0.148SC..  trans-117.7-171.4-17969.92.9000112.1N157 N160 F165 T166N157-D162 WeakPolarHBondContact CA-OD1 3.19Å; N157-D162 WeakPolarHBondContact CB-OD1 3.49Å; N157-D162 PolarHBondContact ND2-OD1 2.97Å; N157-D162 PolarHBondContact O-N 2.99Å; N160-D162 HydrophobicContact CB-CB 4.47Å; N160-D162 PolarHBondContact O-N 3.17Å; D162-F165 WeakPolarHBondContact O-CA 3.28Å; D162-F165 WeakPolarHBondContact O-CB 3.38Å; D162-F165 WeakPolarHBondContact O-CD2 3.33Å; D162-F165 PolarHBondContact O-N 2.89Å; D162-T166 HydrophobicContact CB-CG2 4.49Å
163G96.6Very high98.1Very high4 Ų429.2 Ų29.24%0.04114%0.14CC..G310 helixtrans57.3-130.6-17800000113F165 T166G163-F165 PolarHBondContact O-N 3.04Å; G163-F165 VanDerWaalsContact O-N 3.14Å; G163-T166 WeakPolarHBondContact O-CG2 3.38Å; G163-T166 PolarHBondContact O-N 3.49Å; G163-T166 PolarHBondContact O-OG1 3.43Å
164P97.1Very high98.1Very high6 Ų624.6 Ų24.64%0.03912%0.123CC..G310 helixtrans-63.5-16.2176.5-15.628.4000114.2M117 I138 T166 T170M117-P164 HydrophobicContact CB-CB 4.44Å; M117-P164 HydrophobicContact CB-CG 4.29Å; M117-P164 HydrophobicContact CE-CB 4.39Å; M117-P164 HydrophobicContact SD-CB 4.18Å; M117-P164 HydrophobicContact SD-CG 3.9Å; I138-P164 HydrophobicContact CD1-CB 3.56Å; I138-P164 HydrophobicContact CD1-CG 4.08Å; P164-T166 VanDerWaalsContact C-N 3.34Å; P164-T170 PolarHBondContact O-OG1 2.84Å
165F98.3Very high98Very high2 Ų224.2 Ų24.21%0.00912%0.122CC..G310 helixtrans-91.51.2-178-50.1-74.5000112.7W129 W154 N157 V158 D162 G163 Y167 G168 T170 M172 P232W129-F165 HydrophobicContact CH2-CB 4.26Å; W129-F165 HydrophobicContact CZ3-CB 3.96Å; W154-F165 HydrophobicContact CB-CE2 3.93Å; W154-F165 HydrophobicContact CB-CZ 4.08Å; W154-F165 HydrophobicContact CG-CE2 4.28Å; W154-F165 HydrophobicContact CG-CZ 4.48Å; W154-F165 WeakPolarHBondContact O-CE2 3.36Å; N157-F165 HydrophobicContact CB-CD2 3.6Å; N157-F165 HydrophobicContact CB-CE2 3.8Å; V158-F165 HydrophobicContact CB-CD2 4.46Å; V158-F165 HydrophobicContact CG2-CD1 3.7Å; V158-F165 HydrophobicContact CG2-CD2 3.79Å; V158-F165 HydrophobicContact CG2-CE1 3.42Å; V158-F165 VanDerWaalsContact CG2-CE1 3.42Å; V158-F165 HydrophobicContact CG2-CE2 3.53Å; V158-F165 HydrophobicContact CG2-CG 3.88Å; V158-F165 HydrophobicContact CG2-CZ 3.33Å; D162-F165 WeakPolarHBondContact O-CA 3.28Å; D162-F165 WeakPolarHBondContact O-CB 3.38Å; D162-F165 WeakPolarHBondContact O-CD2 3.33Å; D162-F165 PolarHBondContact O-N 2.89Å; G163-F165 PolarHBondContact O-N 3.04Å; G163-F165 VanDerWaalsContact O-N 3.14Å; F165-Y167 PolarHBondContact O-N 3.21Å; F165-Y167 VanDerWaalsContact O-N 3.17Å; F165-G168 WeakPolarHBondContact CA-O 3.07Å; F165-G168 PolarHBondContact O-N 3.05Å; F165-T170 WeakPolarHBondContact CE1-O 3.14Å; F165-M172 HydrophobicContact CE1-CE 3.81Å; F165-M172 HydrophobicContact CE1-SD 4.23Å; F165-M172 HydrophobicContact CZ-CE 3.63Å; F165-M172 HydrophobicContact CZ-SD 3.71Å; F165-P232 HydrophobicContact CD1-CG 4Å; F165-P232 HydrophobicContact CE1-CG 3.86Å
166T97.7Very high98Very high37 Ų3724.2 Ų24.223%0.22712%0.122CC..G310 helixtrans-65.2-9.7167.160.20000113.8E118 K126 D162 G163 P164E118-T166 HydrophobicContact CG-CG2 3.98Å; K126-T166 WeakPolarHBondContact CD-O 3.1Å; K126-T166 WeakPolarHBondContact CE-O 3.15Å; K126-T166 PolarHBondContact NZ-O 3.41Å; D162-T166 HydrophobicContact CB-CG2 4.49Å; G163-T166 WeakPolarHBondContact O-CG2 3.38Å; G163-T166 PolarHBondContact O-N 3.49Å; G163-T166 PolarHBondContact O-OG1 3.43Å; P164-T166 VanDerWaalsContact C-N 3.34Å
167Y98.1Very high97.9Very high2 Ų223.9 Ų23.91%0.00812%0.12CC..G310 helixtrans-94.2-2.1171.5-58.6-89.8000113.8M117 E118 A120 F121 K126 K127 P134 I136 F165M117-Y167 WeakPolarHBondContact O-CE2 3.36Å; M117-Y167 PolarHBondContact O-OH 3.14Å; M117-Y167 VanDerWaalsContact O-OH 3.13Å; E118-Y167 PolarHBondContact O-OH 3.17Å; A120-Y167 PolarHBondContact N-OH 3.46Å; F121-Y167 HydrophobicContact CB-CE1 4.02Å; F121-Y167 PolarHBondContact N-OH 2.88Å; F121-Y167 PolarHBondContact O-OH 3.18Å; K126-Y167 WeakPolarHBondContact CA-O 3.29Å; K126-Y167 HydrophobicContact CG-CD1 3.58Å; K126-Y167 HydrophobicContact CG-CE1 4.25Å; K126-Y167 HydrophobicContact CG-CG 4.25Å; K127-Y167 PolarHBondContact N-O 3.15Å; P134-Y167 WeakPolarHBondContact CB-O 3.17Å; P134-Y167 WeakPolarHBondContact CG-O 3.08Å; I136-Y167 HydrophobicContact CD1-CD1 3.49Å; I136-Y167 VanDerWaalsContact CD1-CD1 3.49Å; I136-Y167 HydrophobicContact CD1-CD2 3.99Å; I136-Y167 HydrophobicContact CD1-CE1 4.14Å; I136-Y167 HydrophobicContact CD1-CG 3.42Å; I136-Y167 VanDerWaalsContact CD1-CG 3.42Å; F165-Y167 PolarHBondContact O-N 3.21Å; F165-Y167 VanDerWaalsContact O-N 3.17Å
168G98.2Very high97.8Very high3 Ų326.3 Ų26.33%0.03113%0.13CC..SBendtrans111.7-155.8-17200000111F165 T170F165-G168 WeakPolarHBondContact CA-O 3.07Å; F165-G168 PolarHBondContact O-N 3.05Å; G168-T170 PolarHBondContact O-N 3.46Å
169R98.3Very high97.7Very high20 Ų2030.3 Ų30.38%0.07515%0.148CC..SBendtrans-78.150.4-175.4-61.3-175.9-60.1106.7-1.7113W129 D131 Q171 P232W129-R169 HydrophobicContact CD2-CG 3.77Å; W129-R169 HydrophobicContact CE3-CG 4.01Å; W129-R169 HydrophobicContact CG-CG 4.29Å; W129-R169 HydrophobicContact CH2-CG 4.15Å; W129-R169 HydrophobicContact CZ2-CG 3.9Å; W129-R169 HydrophobicContact CZ3-CG 4.19Å; W129-R169 WeakPolarHBondContact O-CD 3.18Å; W129-R169 PolarHBondContact O-NE 2.82Å; D131-R169 PolarHBondContact O-NE 3.23Å; D131-R169 PolarHBondContact O-NH2 2.98Å; R169-Q171 PolarHBondContact O-N 3.12Å; R169-P232 HydrophobicContact CB-CB 3.94Å; R169-P232 HydrophobicContact CB-CG 4.28Å; R169-P232 WeakPolarHBondContact CD-O 3.24Å; R169-P232 HydrophobicContact CG-CB 4.1Å; R169-P232 PolarHBondContact NH1-O 3.28Å; R169-P232 VanDerWaalsContact NH1-O 3.08Å
170T98.3Very high97.7Very high0 Ų029.4 Ų29.40%014%0.141CC..  trans-46127.3178.9-55.20000111I136 I138 P164 F165 G168 P232I136-T170 HydrophobicContact CB-CG2 4.13Å; I136-T170 HydrophobicContact CG2-CG2 3.79Å; I136-T170 WeakPolarHBondContact O-CG2 3.41Å; I138-T170 HydrophobicContact CD1-CG2 3.96Å; I138-T170 HydrophobicContact CG1-CG2 3.95Å; P164-T170 PolarHBondContact O-OG1 2.84Å; F165-T170 WeakPolarHBondContact CE1-O 3.14Å; G168-T170 PolarHBondContact O-N 3.46Å; T170-P232 WeakPolarHBondContact O-CD 3.23Å
171Q98.3Very high97.7Very high37 Ų3725.2 Ų25.217%0.17312%0.119CC..EExtended strand (participates in β ladder)trans-86151.5-175.1-62.5178.8-68.700111.6P133 H137 I138 R169 H229 T231P133-Q171 HydrophobicContact CB-CG 4.11Å; P133-Q171 HydrophobicContact CG-CG 4.39Å; H137-Q171 PolarHBondContact CE1-OE1 2.85Å; I138-Q171 PolarHBondContact N-O 3.25Å; R169-Q171 PolarHBondContact O-N 3.12Å; Q171-H229 PolarHBondContact NE2-NE2 2.75Å; Q171-T231 HydrophobicContact CG-CG2 4.39Å; Q171-T231 PolarHBondContact NE2-OG1 3.26Å
172M98.6Very high97.7Very high0 Ų022.4 Ų22.40%011%0.111CC..EExtended strand (participates in β ladder)trans-128.2132.9-179.1-58.6167.9-81.600110.8I138 I151 W154 F165 L174 H229 F230I138-M172 HydrophobicContact CB-CG 4.06Å; I138-M172 HydrophobicContact CD1-CG 4.13Å; I138-M172 CarbonylContact O-C 3.57Å; I138-M172 WeakPolarHBondContact O-CA 3.11Å; I151-M172 HydrophobicContact CD1-CE 4.36Å; I151-M172 HydrophobicContact CD1-SD 4.12Å; W154-M172 HydrophobicContact CB-SD 4.16Å; W154-M172 HydrophobicContact CD2-SD 4.13Å; W154-M172 HydrophobicContact CE3-CG 4.49Å; W154-M172 HydrophobicContact CE3-SD 3.56Å; W154-M172 VanDerWaalsContact CE3-SD 3.56Å; W154-M172 HydrophobicContact CG-SD 4.43Å; W154-M172 HydrophobicContact CZ3-SD 4.25Å; F165-M172 HydrophobicContact CE1-CE 3.81Å; F165-M172 HydrophobicContact CE1-SD 4.23Å; F165-M172 HydrophobicContact CZ-CE 3.63Å; F165-M172 HydrophobicContact CZ-SD 3.71Å; M172-L174 HydrophobicContact CB-CD1 4.36Å; M172-L174 HydrophobicContact CB-CG 4.31Å; M172-H229 CarbonylContact O-C 3.53Å; M172-H229 WeakPolarHBondContact O-CA 3.38Å; M172-F230 HydrophobicContact CB-CB 4.22Å; M172-F230 HydrophobicContact CB-CD2 4.32Å; M172-F230 HydrophobicContact CE-CB 3.8Å; M172-F230 HydrophobicContact CE-CG 4.38Å; M172-F230 PolarHBondContact N-O 3.17Å; M172-F230 PolarHBondContact O-N 3Å
173T98.6Very high97.7Very high1 Ų123.9 Ų23.91%0.00611%0.112CC..EExtended strand (participates in β ladder)trans-125.8105.3172.7-55.90000109.3I47 Q50 A51 I138 I139 G140 V227 H229I47-T173 HydrophobicContact CG2-CG2 4.2Å; Q50-T173 HydrophobicContact CB-CG2 4.36Å; A51-T173 VanDerWaalsContact CA-OG1 3.26Å; A51-T173 WeakPolarHBondContact CA-OG1 3.43Å; A51-T173 HydrophobicContact CB-CG2 4.46Å; A51-T173 WeakPolarHBondContact CB-OG1 3.43Å; I138-T173 PolarHBondContact O-N 2.9Å; I139-T173 WeakPolarHBondContact CA-O 3.43Å; G140-T173 PolarHBondContact N-O 3.15Å; G140-T173 VanDerWaalsContact N-O 3.11Å; T173-V227 HydrophobicContact CG2-CG1 3.8Å; T173-H229 PolarHBondContact OG1-ND1 3.35Å
174L98.3Very high97.8Very high2 Ų223.7 Ų23.71%0.0111%0.11CC..EExtended strand (participates in β ladder)trans-128.8152.7-167-58.8175.8000111.3G140 I151 W154 M172 F176 V228G140-L174 WeakPolarHBondContact O-CA 3.31Å; I151-L174 HydrophobicContact CD1-CD1 4.1Å; W154-L174 HydrophobicContact CE3-CD1 4.03Å; W154-L174 HydrophobicContact CZ3-CD1 3.63Å; W154-L174 HydrophobicContact CZ3-CD2 4Å; W154-L174 HydrophobicContact CZ3-CG 4.4Å; M172-L174 HydrophobicContact CB-CD1 4.36Å; M172-L174 HydrophobicContact CB-CG 4.31Å; L174-F176 HydrophobicContact CB-CD2 4.45Å; L174-F176 HydrophobicContact CB-CE2 3.61Å; L174-F176 HydrophobicContact CB-CZ 3.96Å; L174-F176 HydrophobicContact CD1-CE2 4.39Å; L174-F176 HydrophobicContact CD1-CZ 4.02Å; L174-V228 PolarHBondContact N-O 2.85Å; L174-V228 PolarHBondContact O-N 2.96Å
175T97Very high97.8Very high0 Ų025 Ų250%012%0.118CC..EExtended strand (participates in β ladder)trans-96.9143.9172.372.20000112.2I47 G140 N141 V225 A226 V227I47-T175 HydrophobicContact CD1-CG2 4.4Å; G140-T175 PolarHBondContact O-N 2.99Å; G140-T175 VanDerWaalsContact O-N 3.09Å; N141-T175 VanDerWaalsContact CA-OG1 3.29Å; N141-T175 WeakPolarHBondContact CA-OG1 3.42Å; N141-T175 HydrophobicContact CB-CG2 4.04Å; N141-T175 WeakPolarHBondContact OD1-CG2 3.49Å; N141-T175 PolarHBondContact OD1-OG1 3.25Å; T175-V225 HydrophobicContact CG2-CG1 4.28Å; T175-A226 WeakPolarHBondContact CA-O 3.27Å; T175-V227 HydrophobicContact CG2-CG2 4.36Å
176F96.9Very high97.8Very high0 Ų025.4 Ų25.40%012%0.122CC..EExtended strand (participates in β ladder)trans-138.8162.6174.7-61.4-87.9000110.4S147 I151 L174 K178 V180 A181 L184 V225 A226 V228 F230S147-F176 WeakPolarHBondContact OG-CD1 3.16Å; I151-F176 HydrophobicContact CB-CE1 4.2Å; I151-F176 HydrophobicContact CB-CZ 4Å; I151-F176 HydrophobicContact CG1-CZ 4.21Å; I151-F176 HydrophobicContact CG2-CE1 3.86Å; I151-F176 HydrophobicContact CG2-CZ 4.08Å; L174-F176 HydrophobicContact CB-CD2 4.45Å; L174-F176 HydrophobicContact CB-CE2 3.61Å; L174-F176 HydrophobicContact CB-CZ 3.96Å; L174-F176 HydrophobicContact CD1-CE2 4.39Å; L174-F176 HydrophobicContact CD1-CZ 4.02Å; F176-K178 PolarHBondContact O-N 3.17Å; F176-V180 HydrophobicContact CB-CB 4.11Å; F176-V180 HydrophobicContact CB-CG1 4.08Å; F176-V180 HydrophobicContact CD1-CG1 3.81Å; F176-V180 HydrophobicContact CG-CG1 4.18Å; F176-A181 HydrophobicContact CB-CB 4.44Å; F176-L184 HydrophobicContact CD1-CD1 4.25Å; F176-L184 HydrophobicContact CD2-CD1 3.91Å; F176-L184 HydrophobicContact CE1-CD1 4.3Å; F176-L184 HydrophobicContact CE2-CD1 3.96Å; F176-L184 HydrophobicContact CG-CD1 4.06Å; F176-L184 HydrophobicContact CZ-CD1 4.16Å; F176-V225 CarbonylContact O-C 3.51Å; F176-V225 WeakPolarHBondContact O-CA 3.48Å; F176-V225 WeakPolarHBondContact O-CG1 3.47Å; F176-A226 PolarHBondContact N-O 3.42Å; F176-A226 PolarHBondContact O-N 3.05Å; F176-V228 HydrophobicContact CD2-CB 4.01Å; F176-V228 HydrophobicContact CD2-CG2 3.8Å; F176-V228 HydrophobicContact CE2-CB 4.1Å; F176-V228 HydrophobicContact CE2-CG2 4.37Å; F176-F230 AromaticContact CE2-CE2 3.77Å; F176-F230 HydrophobicContact CE2-CE2 3.77Å; F176-F230 AromaticContact CE2-CZ 3.93Å; F176-F230 HydrophobicContact CE2-CZ 3.93Å; F176-F230 HydrophobicContact CZ-CE2 4.25Å; F176-F230 HydrophobicContact CZ-CZ 4.19Å
177Q96.4Very high97.8Very high65 Ų6531.6 Ų31.630%0.30415%0.145SC..EExtended strand (participates in β ladder)trans-54.6141.8161.9-62.4-178.9-5500109.3F144 E179 V180 A181 V223F144-Q177 HydrophobicContact CB-CG 3.85Å; F144-Q177 HydrophobicContact CD1-CG 3.49Å; F144-Q177 VanDerWaalsContact CD1-CG 3.49Å; F144-Q177 HydrophobicContact CD2-CG 3.34Å; F144-Q177 VanDerWaalsContact CD2-NE2 3.35Å; F144-Q177 HydrophobicContact CE1-CG 3.77Å; F144-Q177 HydrophobicContact CE2-CG 3.63Å; F144-Q177 HydrophobicContact CG-CG 3.27Å; F144-Q177 HydrophobicContact CZ-CG 3.84Å; Q177-E179 VanDerWaalsContact C-N 3.25Å; Q177-E179 PolarHBondContact O-N 3.43Å; Q177-E179 VanDerWaalsContact O-N 3.17Å; Q177-V180 HydrophobicContact CB-CB 4.48Å; Q177-V180 HydrophobicContact CB-CG2 4.2Å; Q177-V180 WeakPolarHBondContact O-CA 3.46Å; Q177-V180 WeakPolarHBondContact O-CB 3.45Å; Q177-V180 PolarHBondContact O-N 2.93Å; Q177-A181 PolarHBondContact O-N 3.01Å; Q177-V223 HydrophobicContact CB-CG2 3.97Å; Q177-V223 HydrophobicContact CG-CG2 3.74Å
178K96.9Very high97.8Very high71 Ų7135 Ų3531%0.30917%0.166SC..Hα-helixtrans-48.9-45.7-179178179173.1-1790112.8F176 V180 A181 E182 I211 D224F176-K178 PolarHBondContact O-N 3.17Å; K178-V180 VanDerWaalsContact C-N 3.33Å; K178-V180 PolarHBondContact O-N 3.04Å; K178-A181 PolarHBondContact O-N 3.17Å; K178-E182 WeakPolarHBondContact CE-OE1 3.16Å; K178-E182 HydrophobicContact CG-CG 4.49Å; K178-E182 WeakPolarHBondContact O-CG 3.45Å; K178-E182 PolarHBondContact O-N 3.46Å; K178-I211 HydrophobicContact CD-CD1 4.1Å; K178-I211 HydrophobicContact CD-CG2 4.5Å; K178-I211 HydrophobicContact CG-CD1 4.36Å; K178-D224 HydrophobicContact CB-CB 4.1Å; K178-D224 WeakPolarHBondContact CB-O 3.24Å; K178-D224 HydrophobicContact CD-CB 4.03Å; K178-D224 PolarHBondContact N-O 3.13Å
179E97.1Very high97.7Very high88 Ų8837 Ų3741%0.41119%0.187SC..Hα-helixtrans-62.2-38.3178.6-174.1-178.1-174.600112.7Q177 E182 R183Q177-E179 VanDerWaalsContact C-N 3.25Å; Q177-E179 PolarHBondContact O-N 3.43Å; Q177-E179 VanDerWaalsContact O-N 3.17Å; E179-E182 PolarHBondContact O-N 3.2Å; E179-R183 VanDerWaalsContact O-CG 3.25Å; E179-R183 WeakPolarHBondContact O-CG 3.33Å; E179-R183 PolarHBondContact O-N 3.03Å; E179-R183 IonicContact OE1-CZ 3.76Å; E179-R183 VanDerWaalsContact OE1-CZ 3.29Å; E179-R183 IonicContact OE1-NE 3.31Å; E179-R183 PolarHBondContact OE1-NE 3.07Å; E179-R183 IonicContact OE1-NH2 3.24Å; E179-R183 PolarHBondContact OE1-NH2 2.94Å; E179-R183 IonicContact OE2-NH2 3.33Å
180V97.6Very high97.6Very high14 Ų1437.2 Ų37.29%0.08520%0.196CC..Hα-helixtrans-68.4-42.1178.4175.80000110.4F176 Q177 K178 R183 L184 L196F176-V180 HydrophobicContact CB-CB 4.11Å; F176-V180 HydrophobicContact CB-CG1 4.08Å; F176-V180 HydrophobicContact CD1-CG1 3.81Å; F176-V180 HydrophobicContact CG-CG1 4.18Å; Q177-V180 HydrophobicContact CB-CB 4.48Å; Q177-V180 HydrophobicContact CB-CG2 4.2Å; Q177-V180 WeakPolarHBondContact O-CA 3.46Å; Q177-V180 WeakPolarHBondContact O-CB 3.45Å; Q177-V180 PolarHBondContact O-N 2.93Å; K178-V180 VanDerWaalsContact C-N 3.33Å; K178-V180 PolarHBondContact O-N 3.04Å; V180-R183 WeakPolarHBondContact O-CB 3.36Å; V180-R183 PolarHBondContact O-N 3.27Å; V180-L184 HydrophobicContact CG1-CD1 4.1Å; V180-L184 WeakPolarHBondContact O-CG 3.35Å; V180-L184 PolarHBondContact O-N 3.31Å; V180-L196 HydrophobicContact CG1-CD2 3.84Å
181A97.8Very high97.5Very high0 Ų045.9 Ų45.90%023%0.233CC..Hα-helixtrans-61.6-44.7173.500000112.3F176 Q177 K178 R183 L184 T185 A226 V228F176-A181 HydrophobicContact CB-CB 4.44Å; Q177-A181 PolarHBondContact O-N 3.01Å; K178-A181 PolarHBondContact O-N 3.17Å; A181-R183 VanDerWaalsContact C-N 3.26Å; A181-R183 PolarHBondContact O-N 3.36Å; A181-L184 WeakPolarHBondContact O-CB 3.09Å; A181-L184 PolarHBondContact O-N 3.05Å; A181-L184 VanDerWaalsContact O-N 3.11Å; A181-T185 PolarHBondContact O-N 3.41Å; A181-T185 PolarHBondContact O-OG1 3.26Å; A181-A226 HydrophobicContact CB-CB 3.36Å; A181-V228 HydrophobicContact CB-CG2 3.47Å; A181-V228 VanDerWaalsContact CB-CG2 3.47Å
182E98.1Very high97.4Very high59 Ų5946.8 Ų46.828%0.27624%0.237SC..Hα-helixtrans-58.9-39.3174.8-72.4172.3-179.500111.8K178 E179 A186 Q192K178-E182 WeakPolarHBondContact CE-OE1 3.16Å; K178-E182 HydrophobicContact CG-CG 4.49Å; K178-E182 WeakPolarHBondContact O-CG 3.45Å; K178-E182 PolarHBondContact O-N 3.46Å; E179-E182 PolarHBondContact O-N 3.2Å; E182-A186 WeakPolarHBondContact O-CA 3.26Å; E182-A186 VanDerWaalsContact O-CB 3.24Å; E182-A186 WeakPolarHBondContact O-CB 3.31Å; E182-A186 PolarHBondContact O-N 3.33Å; E182-Q192 HydrophobicContact CB-CB 4.25Å; E182-Q192 HydrophobicContact CB-CG 4.02Å; E182-Q192 PolarHBondContact OE2-NE2 3.23Å
183R98Very high97.4Very high90 Ų9046.9 Ų46.934%0.3424%0.238SC..Hα-helixtrans-66.2-42.6174.1-72.5168.8-179.7-172.92.4111.6E179 V180 A181 T185 A186 Q192 S197E179-R183 VanDerWaalsContact O-CG 3.25Å; E179-R183 WeakPolarHBondContact O-CG 3.33Å; E179-R183 PolarHBondContact O-N 3.03Å; E179-R183 IonicContact OE1-CZ 3.76Å; E179-R183 VanDerWaalsContact OE1-CZ 3.29Å; E179-R183 IonicContact OE1-NE 3.31Å; E179-R183 PolarHBondContact OE1-NE 3.07Å; E179-R183 IonicContact OE1-NH2 3.24Å; E179-R183 PolarHBondContact OE1-NH2 2.94Å; E179-R183 IonicContact OE2-NH2 3.33Å; V180-R183 WeakPolarHBondContact O-CB 3.36Å; V180-R183 PolarHBondContact O-N 3.27Å; A181-R183 VanDerWaalsContact C-N 3.26Å; A181-R183 PolarHBondContact O-N 3.36Å; R183-T185 VanDerWaalsContact C-N 3.3Å; R183-T185 PolarHBondContact O-N 3.35Å; R183-A186 PolarHBondContact O-N 3.41Å; R183-Q192 HydrophobicContact CG-CB 4.25Å; R183-Q192 WeakPolarHBondContact CG-O 3.44Å; R183-S197 WeakPolarHBondContact O-CA 3.37Å; R183-S197 VanDerWaalsContact O-CB 3.26Å; R183-S197 WeakPolarHBondContact O-CB 3.37Å; R183-S197 PolarHBondContact O-N 2.73Å; R183-S197 PolarHBondContact O-OG 2.95Å
184L98.3Very high97.3Very high0 Ų047.7 Ų47.70%024%0.243CC..Hα-helixtrans-59.1-40.7177.8-76.1158.8000111.6F176 V180 A181 L196 S200 Q201 V206 F230F176-L184 HydrophobicContact CD1-CD1 4.25Å; F176-L184 HydrophobicContact CD2-CD1 3.91Å; F176-L184 HydrophobicContact CE1-CD1 4.3Å; F176-L184 HydrophobicContact CE2-CD1 3.96Å; F176-L184 HydrophobicContact CG-CD1 4.06Å; F176-L184 HydrophobicContact CZ-CD1 4.16Å; V180-L184 HydrophobicContact CG1-CD1 4.1Å; V180-L184 WeakPolarHBondContact O-CG 3.35Å; V180-L184 PolarHBondContact O-N 3.31Å; A181-L184 WeakPolarHBondContact O-CB 3.09Å; A181-L184 PolarHBondContact O-N 3.05Å; A181-L184 VanDerWaalsContact O-N 3.11Å; L184-L196 HydrophobicContact CD1-CD2 4.46Å; L184-L196 HydrophobicContact CD2-CD1 4.35Å; L184-L196 HydrophobicContact CD2-CD2 3.78Å; L184-L196 HydrophobicContact CD2-CG 3.62Å; L184-L196 HydrophobicContact CG-CD2 3.73Å; L184-L196 HydrophobicContact CG-CG 4.06Å; L184-S200 PolarHBondContact O-OG 2.8Å; L184-Q201 PolarHBondContact O-NE2 2.91Å; L184-V206 HydrophobicContact CB-CG1 4.22Å; L184-F230 HydrophobicContact CD1-CZ 3.97Å; L184-F230 HydrophobicContact CD2-CE1 4.04Å; L184-F230 HydrophobicContact CD2-CZ 4.12Å
185T97.7Very high97.2Very high35 Ų3551.1 Ų51.122%0.21526%0.256CS..Hα-helixtrans-99.13.5-176.361.70000114.7A181 R183 K187 Q201 V206 N208A181-T185 PolarHBondContact O-N 3.41Å; A181-T185 PolarHBondContact O-OG1 3.26Å; R183-T185 VanDerWaalsContact C-N 3.3Å; R183-T185 PolarHBondContact O-N 3.35Å; T185-K187 PolarHBondContact O-N 3.36Å; T185-Q201 VanDerWaalsContact C-NE2 3.34Å; T185-V206 HydrophobicContact CG2-CB 4.38Å; T185-V206 HydrophobicContact CG2-CG1 3.85Å; T185-N208 HydrophobicContact CG2-CB 3.87Å
186A98.1Very high97.2Very high10 Ų1051.9 Ų51.98%0.08326%0.26CS..PPolyproline II helixtrans-64.4124.6-176.500000112.7E182 R183 Q192 R193 Q201E182-A186 WeakPolarHBondContact O-CA 3.26Å; E182-A186 VanDerWaalsContact O-CB 3.24Å; E182-A186 WeakPolarHBondContact O-CB 3.31Å; E182-A186 PolarHBondContact O-N 3.33Å; R183-A186 PolarHBondContact O-N 3.41Å; A186-Q192 HydrophobicContact CB-CB 4.16Å; A186-R193 HydrophobicContact CB-CB 4.08Å; A186-R193 PolarHBondContact O-NH1 2.9Å; A186-Q201 PolarHBondContact O-NE2 2.55Å
187K97.4Very high97.3Very high167 Ų16751.9 Ų51.973%0.72626%0.26SS*.PPolyproline II helixtrans-76.3168.9176.4-61.2-176.8-179.5-179.80112.1T185 G190 R193T185-K187 PolarHBondContact O-N 3.36Å; K187-G190 PolarHBondContact O-N 3.09Å; K187-R193 VanDerWaalsContact C-NH1 3.27Å; K187-R193 WeakPolarHBondContact O-CD 3.39Å
188T97.9Very high97.4Very high72 Ų7248.8 Ų48.844%0.44225%0.246SC..THydrogen-bonded Turntrans-54.9136.4172.6-48.30000110.3G190 R193 Q294T188-G190 PolarHBondContact O-N 2.88Å; T188-R193 VanDerWaalsContact N-NH1 3.19Å; T188-R193 PolarHBondContact OG1-NH2 2.89Å; T188-Q294 WeakPolarHBondContact CG2-O 3.38Å
189G96.4Very high97.5Very high46 Ų4645.6 Ų45.647%0.47423%0.232SC..THydrogen-bonded Turntrans77.8-12.7-174.600000115I293G189-I293 WeakPolarHBondContact CA-O 3.42Å; G189-I293 PolarHBondContact N-O 3.01Å
190G96.5Very high97.6Very high25 Ų2541.4 Ų41.426%0.25821%0.212SC..  trans-66.2141-178.300000113.3K187 T188 Q192 R193K187-G190 PolarHBondContact O-N 3.09Å; T188-G190 PolarHBondContact O-N 2.88Å; G190-Q192 VanDerWaalsContact C-N 3.25Å; G190-Q192 PolarHBondContact O-N 3.05Å; G190-R193 WeakPolarHBondContact O-CB 3.33Å; G190-R193 PolarHBondContact O-N 2.86Å
191K94.8Very high97.6Very high182 Ų18242 Ų4279%0.79122%0.215SC*.THydrogen-bonded Turntrans-56.1-38.7-179.8-172.7178.1179-1780113R193 R256K191-R193 VanDerWaalsContact C-N 3.3Å; K191-R193 PolarHBondContact O-N 3.31Å; K191-R256 PolarHBondContact O-NH2 3.46Å
192Q97Very high97.6Very high55 Ų5542.1 Ų42.126%0.25722%0.215SC..THydrogen-bonded Turntrans-84.3-0.6179.7-59-68.749.100113.6E182 R183 A186 G190 S194E182-Q192 HydrophobicContact CB-CB 4.25Å; E182-Q192 HydrophobicContact CB-CG 4.02Å; E182-Q192 PolarHBondContact OE2-NE2 3.23Å; R183-Q192 HydrophobicContact CG-CB 4.25Å; R183-Q192 WeakPolarHBondContact CG-O 3.44Å; A186-Q192 HydrophobicContact CB-CB 4.16Å; G190-Q192 VanDerWaalsContact C-N 3.25Å; G190-Q192 PolarHBondContact O-N 3.05Å; Q192-S194 PolarHBondContact O-N 2.97Å
193R97.7Very high97.7Very high3 Ų339.6 Ų39.61%0.01120%0.203CC..  trans-60.8129.8178.5-166.8-178.9-175.873-9.4109.7A186 K187 T188 G190 K191 S197 I198 F253 R256 I293 L295A186-R193 HydrophobicContact CB-CB 4.08Å; A186-R193 PolarHBondContact O-NH1 2.9Å; K187-R193 VanDerWaalsContact C-NH1 3.27Å; K187-R193 WeakPolarHBondContact O-CD 3.39Å; T188-R193 VanDerWaalsContact N-NH1 3.19Å; T188-R193 PolarHBondContact OG1-NH2 2.89Å; G190-R193 WeakPolarHBondContact O-CB 3.33Å; G190-R193 PolarHBondContact O-N 2.86Å; K191-R193 VanDerWaalsContact C-N 3.3Å; K191-R193 PolarHBondContact O-N 3.31Å; R193-S197 WeakPolarHBondContact CA-OG 3.34Å; R193-I198 VanDerWaalsContact NH2-CD1 3.27Å; R193-F253 HydrophobicContact CG-CZ 4.26Å; R193-R256 PolarHBondContact O-NH1 3.13Å; R193-R256 PolarHBondContact O-NH2 3.25Å; R193-R256 VanDerWaalsContact O-NH2 3.1Å; R193-I293 HydrophobicContact CB-CB 4.25Å; R193-I293 HydrophobicContact CB-CG2 4.2Å; R193-I293 WeakPolarHBondContact CD-O 3.44Å; R193-L295 PolarHBondContact NE-O 2.86Å; R193-L295 VanDerWaalsContact NE-O 3.13Å; R193-L295 PolarHBondContact NH2-O 3.07Å
194S97.3Very high97.7Very high17 Ų1735.4 Ų35.412%0.11919%0.188CC..  trans-151.7-177.9-171.968.40000110.5Q192 L196 S197 I198Q192-S194 PolarHBondContact O-N 2.97Å; S194-L196 PolarHBondContact O-N 3.46Å; S194-L196 PolarHBondContact OG-N 3.3Å; S194-S197 PolarHBondContact N-OG 3.23Å; S194-S197 VanDerWaalsContact O-CB 3.31Å; S194-S197 WeakPolarHBondContact O-CB 3.4Å; S194-S197 PolarHBondContact O-N 3.41Å; S194-S197 VanDerWaalsContact O-N 3.11Å; S194-S197 PolarHBondContact O-OG 2.73Å; S194-I198 PolarHBondContact O-N 3.09Å
195R96.9Very high97.7Very high74 Ų7438.4 Ų38.428%0.27921%0.206SC..Hα-helixtrans-49.6-44.2171177.7177.176.194.50.1111.9S197 I198 M199 E246 V249 F253R195-S197 VanDerWaalsContact C-N 3.26Å; R195-S197 PolarHBondContact O-N 3.5Å; R195-I198 PolarHBondContact O-N 2.94Å; R195-I198 VanDerWaalsContact O-N 3.17Å; R195-M199 HydrophobicContact CG-CG 3.97Å; R195-M199 WeakPolarHBondContact O-CG 3.34Å; R195-M199 PolarHBondContact O-N 3.01Å; R195-E246 IonicContact CZ-OE1 3.1Å; R195-E246 IonicContact NH1-OE1 3.49Å; R195-E246 PolarHBondContact NH1-OE1 3.28Å; R195-V249 HydrophobicContact CB-CG1 3.94Å; R195-V249 HydrophobicContact CG-CB 4.48Å; R195-V249 HydrophobicContact CG-CG1 3.69Å; R195-F253 HydrophobicContact CB-CD2 4.44Å
196L97.3Very high97.8Very high17 Ų1737.8 Ų37.89%0.08920%0.202CC..Hα-helixtrans-65.7-30.5-175.7-157.166.2000112.4I152 V180 L184 S194 S200I152-L196 HydrophobicContact CD1-CD1 4.37Å; I152-L196 HydrophobicContact CG1-CD1 4.07Å; V180-L196 HydrophobicContact CG1-CD2 3.84Å; L184-L196 HydrophobicContact CD1-CD2 4.46Å; L184-L196 HydrophobicContact CD2-CD1 4.35Å; L184-L196 HydrophobicContact CD2-CD2 3.78Å; L184-L196 HydrophobicContact CD2-CG 3.62Å; L184-L196 HydrophobicContact CG-CD2 3.73Å; L184-L196 HydrophobicContact CG-CG 4.06Å; S194-L196 PolarHBondContact O-N 3.46Å; S194-L196 PolarHBondContact OG-N 3.3Å; L196-S200 WeakPolarHBondContact O-CB 3.34Å; L196-S200 PolarHBondContact O-N 3.04Å; L196-S200 PolarHBondContact O-OG 2.69Å
197S98.4Very high97.8Very high0 Ų042.4 Ų42.40%022%0.222CC..Hα-helixtrans-62-46.9174.1-38.90000111.1R183 R193 S194 R195 S200 Q201R183-S197 WeakPolarHBondContact O-CA 3.37Å; R183-S197 VanDerWaalsContact O-CB 3.26Å; R183-S197 WeakPolarHBondContact O-CB 3.37Å; R183-S197 PolarHBondContact O-N 2.73Å; R183-S197 PolarHBondContact O-OG 2.95Å; R193-S197 WeakPolarHBondContact CA-OG 3.34Å; S194-S197 PolarHBondContact N-OG 3.23Å; S194-S197 VanDerWaalsContact O-CB 3.31Å; S194-S197 WeakPolarHBondContact O-CB 3.4Å; S194-S197 PolarHBondContact O-N 3.41Å; S194-S197 VanDerWaalsContact O-N 3.11Å; S194-S197 PolarHBondContact O-OG 2.73Å; R195-S197 VanDerWaalsContact C-N 3.26Å; R195-S197 PolarHBondContact O-N 3.5Å; S197-S200 PolarHBondContact O-OG 2.95Å; S197-Q201 WeakPolarHBondContact O-CB 3.26Å; S197-Q201 WeakPolarHBondContact O-CG 3.44Å; S197-Q201 PolarHBondContact O-N 3.24Å
198I98.6Very high97.8Very high0 Ų037.2 Ų37.20%020%0.202CC..Hα-helixtrans-71-48.4-178.5-48.6-53.7000110.1R193 S194 R195 S200 Q201 H202 I238 V249 F253 M297 F300R193-I198 VanDerWaalsContact NH2-CD1 3.27Å; S194-I198 PolarHBondContact O-N 3.09Å; R195-I198 PolarHBondContact O-N 2.94Å; R195-I198 VanDerWaalsContact O-N 3.17Å; I198-S200 VanDerWaalsContact C-N 3.27Å; I198-S200 PolarHBondContact O-N 2.89Å; I198-Q201 PolarHBondContact O-N 3.06Å; I198-H202 WeakPolarHBondContact O-CB 3.47Å; I198-H202 PolarHBondContact O-N 3.46Å; I198-H202 VanDerWaalsContact O-N 3.07Å; I198-H202 PolarHBondContact O-ND1 3.24Å; I198-I238 HydrophobicContact CG2-CD1 4.39Å; I198-V249 HydrophobicContact CB-CG1 3.85Å; I198-V249 HydrophobicContact CB-CG2 4.06Å; I198-V249 HydrophobicContact CG1-CG1 4.02Å; I198-V249 HydrophobicContact CG2-CG1 4.35Å; I198-V249 HydrophobicContact CG2-CG2 3.64Å; I198-F253 HydrophobicContact CD1-CE2 4.49Å; I198-F253 HydrophobicContact CG1-CE2 3.73Å; I198-F253 HydrophobicContact CG1-CZ 4.33Å; I198-M297 HydrophobicContact CG2-CE 4.3Å; I198-M297 HydrophobicContact CG2-SD 3.88Å; I198-F300 HydrophobicContact CD1-CD2 3.64Å; I198-F300 HydrophobicContact CD1-CE2 3.5Å; I198-F300 VanDerWaalsContact CD1-CE2 3.5Å; I198-F300 HydrophobicContact CD1-CZ 4.4Å; I198-F300 HydrophobicContact CG1-CD2 3.86Å; I198-F300 HydrophobicContact CG1-CE2 3.59Å; I198-F300 HydrophobicContact CG1-CZ 4.02Å; I198-F300 HydrophobicContact CG2-CB 4.22Å; I198-F300 HydrophobicContact CG2-CD1 4.41Å; I198-F300 HydrophobicContact CG2-CD2 3.97Å; I198-F300 HydrophobicContact CG2-CE2 4.49Å; I198-F300 HydrophobicContact CG2-CG 3.94Å
199M98.6Very high97.8Very high3 Ų335.3 Ų35.32%0.01519%0.192CC..Hα-helixtrans-60.1-36.2-177.3-64.6-49.1-65.600112.6L155 R195 H202 F242 V245 E246 V249L155-M199 HydrophobicContact CD1-CB 4.4Å; R195-M199 HydrophobicContact CG-CG 3.97Å; R195-M199 WeakPolarHBondContact O-CG 3.34Å; R195-M199 PolarHBondContact O-N 3.01Å; M199-H202 VanDerWaalsContact C-ND1 3.34Å; M199-H202 WeakPolarHBondContact CA-ND1 3.48Å; M199-H202 PolarHBondContact O-CE1 3.11Å; M199-H202 PolarHBondContact O-ND1 2.9Å; M199-F242 HydrophobicContact CE-CD2 3.79Å; M199-F242 HydrophobicContact CE-CE1 4.12Å; M199-F242 HydrophobicContact CE-CE2 3.3Å; M199-F242 HydrophobicContact CE-CG 4.4Å; M199-F242 HydrophobicContact CE-CZ 3.49Å; M199-F242 VanDerWaalsContact CE-CZ 3.49Å; M199-V245 HydrophobicContact CE-CG1 4.47Å; M199-V245 HydrophobicContact SD-CG1 4.03Å; M199-E246 HydrophobicContact CE-CB 3.75Å; M199-E246 HydrophobicContact CE-CG 4.28Å; M199-E246 HydrophobicContact SD-CB 4.23Å; M199-V249 HydrophobicContact SD-CB 4.26Å; M199-V249 HydrophobicContact SD-CG2 4.22Å
200S98.4Very high97.9Very high0 Ų034.2 Ų34.20%017%0.174CC..Hα-helixtrans-80.9-50.2177.1590000112.7L184 L196 S197 I198 H202 L203 C204L184-S200 PolarHBondContact O-OG 2.8Å; L196-S200 WeakPolarHBondContact O-CB 3.34Å; L196-S200 PolarHBondContact O-N 3.04Å; L196-S200 PolarHBondContact O-OG 2.69Å; S197-S200 PolarHBondContact O-OG 2.95Å; I198-S200 VanDerWaalsContact C-N 3.27Å; I198-S200 PolarHBondContact O-N 2.89Å; S200-H202 VanDerWaalsContact C-N 3.3Å; S200-H202 PolarHBondContact O-N 3.24Å; S200-L203 PolarHBondContact O-N 3.31Å; S200-C204 PolarHBondContact O-N 3.37Å
201Q98.8Very high98Very high28 Ų2836.4 Ų36.413%0.13118%0.179CC..Hα-helixtrans-75.4-13.4-170.9-62.716925.800114.6L184 T185 A186 S197 I198 C204 V206 K237 M297L184-Q201 PolarHBondContact O-NE2 2.91Å; T185-Q201 VanDerWaalsContact C-NE2 3.34Å; A186-Q201 PolarHBondContact O-NE2 2.55Å; S197-Q201 WeakPolarHBondContact O-CB 3.26Å; S197-Q201 WeakPolarHBondContact O-CG 3.44Å; S197-Q201 PolarHBondContact O-N 3.24Å; I198-Q201 PolarHBondContact O-N 3.06Å; Q201-C204 WeakPolarHBondContact CA-O 3.36Å; Q201-V206 HydrophobicContact CG-CG2 4.26Å; Q201-K237 WeakPolarHBondContact O-CD 3.41Å; Q201-K237 WeakPolarHBondContact O-CE 3.49Å; Q201-K237 PolarHBondContact O-NZ 2.89Å; Q201-M297 HydrophobicContact CB-CE 3.71Å
202H98.6Very high98.1Very high1 Ų127.8 Ų27.81%0.00514%0.142CC..THydrogen-bonded Turntrans-79.9-21.1173.383.4-76.7000112.8I198 M199 S200 P236 K237 I238 M297I198-H202 WeakPolarHBondContact O-CB 3.47Å; I198-H202 PolarHBondContact O-N 3.46Å; I198-H202 VanDerWaalsContact O-N 3.07Å; I198-H202 PolarHBondContact O-ND1 3.24Å; M199-H202 VanDerWaalsContact C-ND1 3.34Å; M199-H202 WeakPolarHBondContact CA-ND1 3.48Å; M199-H202 PolarHBondContact O-CE1 3.11Å; M199-H202 PolarHBondContact O-ND1 2.9Å; S200-H202 VanDerWaalsContact C-N 3.3Å; S200-H202 PolarHBondContact O-N 3.24Å; H202-P236 CarbonylContact O-C 3.6Å; H202-P236 VanDerWaalsContact O-CA 3.24Å; H202-P236 WeakPolarHBondContact O-CA 3.37Å; H202-P236 WeakPolarHBondContact O-CB 3.4Å; H202-K237 HydrophobicContact CB-CB 4.3Å; H202-K237 PolarHBondContact O-N 3.36Å; H202-I238 HydrophobicContact CB-CB 4.46Å; H202-I238 HydrophobicContact CB-CD1 4.06Å; H202-I238 HydrophobicContact CB-CG1 4.05Å; H202-M297 HydrophobicContact CB-CE 3.94Å; H202-M297 HydrophobicContact CB-SD 3.61Å
203L98.8Very high98.1Very high7 Ų728.1 Ų28.14%0.03715%0.148CC..THydrogen-bonded Turntrans-109.5-28.2-178.5-67.7166.6000112.7L155 V158 S200 L233 P236 F242L155-L203 HydrophobicContact CB-CD1 3.97Å; L155-L203 HydrophobicContact CD2-CB 4.21Å; L155-L203 HydrophobicContact CD2-CD1 4.16Å; L155-L203 WeakPolarHBondContact O-CD1 3.24Å; V158-L203 HydrophobicContact CG1-CB 3.91Å; V158-L203 HydrophobicContact CG1-CD2 4.29Å; S200-L203 PolarHBondContact O-N 3.31Å; L203-L233 WeakPolarHBondContact O-CB 3.32Å; L203-L233 WeakPolarHBondContact O-CG 3.37Å; L203-L233 PolarHBondContact O-N 3.01Å; L203-P236 HydrophobicContact CD2-CB 3.98Å; L203-F242 HydrophobicContact CD1-CD2 4.25Å; L203-F242 HydrophobicContact CD1-CE2 4.34Å
204C98.8Very high98Very high1 Ų128.1 Ų28.11%0.00715%0.149CC..EExtended strand (participates in β ladder)trans-130.9153.1-174.4-58.60000111.9S200 Q201 V206 F230 T231S200-C204 PolarHBondContact O-N 3.37Å; Q201-C204 WeakPolarHBondContact CA-O 3.36Å; C204-V206 HydrophobicContact CB-CG2 3.96Å; C204-F230 HydrophobicContact CB-CB 4.44Å; C204-F230 HydrophobicContact CB-CD1 4.36Å; C204-T231 CarbonylContact C-O 3.46Å; C204-T231 VanDerWaalsContact CA-O 3.27Å; C204-T231 WeakPolarHBondContact CA-O 3.29Å
205T98.6Very high97.8Very high64 Ų6434.8 Ų34.839%0.39318%0.178SC..EExtended strand (participates in β ladder)trans-72.7128.5149.3-60.80000107.5E207 F230 T231 L233T205-E207 HydrophobicContact CG2-CG 4.22Å; T205-F230 WeakPolarHBondContact O-CA 3.42Å; T205-T231 PolarHBondContact N-O 3.24Å; T205-T231 PolarHBondContact O-N 3.26Å; T205-L233 WeakPolarHBondContact OG1-CD2 3.34Å
206V98.6Very high97.7Very high22 Ų2232.7 Ų32.713%0.13318%0.177CC..EExtended strand (participates in β ladder)trans-127.5120.7-174.1-167.40000109L184 T185 Q201 C204 V228 H229 F230L184-V206 HydrophobicContact CB-CG1 4.22Å; T185-V206 HydrophobicContact CG2-CB 4.38Å; T185-V206 HydrophobicContact CG2-CG1 3.85Å; Q201-V206 HydrophobicContact CG-CG2 4.26Å; C204-V206 HydrophobicContact CB-CG2 3.96Å; V206-V228 HydrophobicContact CG1-CG1 3.54Å; V206-H229 WeakPolarHBondContact CA-O 3.18Å; V206-F230 HydrophobicContact CB-CD1 4.33Å; V206-F230 HydrophobicContact CB-CE1 4.42Å; V206-F230 HydrophobicContact CG1-CD1 3.78Å; V206-F230 HydrophobicContact CG1-CE1 3.5Å; V206-F230 HydrophobicContact CG1-CG 4.49Å; V206-F230 HydrophobicContact CG1-CZ 4Å; V206-F230 HydrophobicContact CG2-CD1 3.82Å; V206-F230 HydrophobicContact CG2-CE1 4.06Å
207E98.4Very high97.4Very high106 Ų10632.1 Ų32.150%0.49517%0.174SC..EExtended strand (participates in β ladder)trans-123.3127.6-173-62.9-178.8173.200110.2T205 C209 V228 H229T205-E207 HydrophobicContact CG2-CG 4.22Å; E207-C209 PolarHBondContact O-N 2.72Å; E207-V228 CarbonylContact O-C 3.58Å; E207-V228 VanDerWaalsContact O-CA 3.24Å; E207-V228 WeakPolarHBondContact O-CA 3.45Å; E207-V228 WeakPolarHBondContact O-CG1 3.38Å; E207-H229 PolarHBondContact N-O 3.46Å; E207-H229 PolarHBondContact O-N 3.1Å
208N97.8Very high97Very high59 Ų5935.7 Ų35.732%0.31620%0.195SC..EExtended strand (participates in β ladder)trans-87.896.3171.5-1798.5000107.6T185T185-N208 HydrophobicContact CG2-CB 3.87Å
209C98Very high96.5Very high32 Ų3238.6 Ų38.622%0.21622%0.215CC..EExtended strand (participates in β ladder)trans-69-52.7-169-55.30000111.8Q50 E207 V227 H229Q50-C209 HydrophobicContact CB-CB 4.29Å; Q50-C209 HydrophobicContact CG-CB 3.79Å; E207-C209 PolarHBondContact O-N 2.72Å; C209-V227 HydrophobicContact CB-CB 4.41Å; C209-V227 HydrophobicContact CB-CG1 4.41Å; C209-V227 WeakPolarHBondContact CB-O 3.41Å; C209-V227 PolarHBondContact N-O 3.25Å; C209-H229 VanDerWaalsContact SG-CB 3.52Å
210F98.3Very high96.1Very high22 Ų2244.8 Ų44.810%0.09624%0.243CC..EExtended strand (participates in β ladder)trans-166.1163.7176.564.5-81.5000112.1K46 I47 Q50 I212 A226 V227K46-F210 HydrophobicContact CB-CE1 4.4Å; K46-F210 HydrophobicContact CB-CE2 4.48Å; K46-F210 HydrophobicContact CB-CZ 3.89Å; K46-F210 HydrophobicContact CD-CD1 4.29Å; K46-F210 HydrophobicContact CD-CD2 3.99Å; K46-F210 HydrophobicContact CD-CE1 4.01Å; K46-F210 HydrophobicContact CD-CE2 3.65Å; K46-F210 HydrophobicContact CD-CG 4.28Å; K46-F210 HydrophobicContact CD-CZ 3.67Å; K46-F210 HydrophobicContact CG-CD1 4.35Å; K46-F210 HydrophobicContact CG-CE1 3.73Å; K46-F210 HydrophobicContact CG-CE2 4.11Å; K46-F210 HydrophobicContact CG-CZ 3.58Å; I47-F210 HydrophobicContact CG1-CZ 3.95Å; Q50-F210 HydrophobicContact CG-CD1 3.99Å; Q50-F210 HydrophobicContact CG-CE1 3.69Å; F210-I212 HydrophobicContact CD2-CG1 3.94Å; F210-I212 HydrophobicContact CE2-CD1 3.88Å; F210-I212 HydrophobicContact CE2-CG1 3.49Å; F210-I212 VanDerWaalsContact CE2-CG1 3.49Å; F210-I212 HydrophobicContact CZ-CD1 4.4Å; F210-I212 HydrophobicContact CZ-CG1 4.44Å; F210-A226 WeakPolarHBondContact O-CA 3.48Å; F210-V227 HydrophobicContact CD1-CB 4.13Å; F210-V227 HydrophobicContact CD1-CG2 4.27Å; F210-V227 HydrophobicContact CD2-CG2 4.38Å; F210-V227 HydrophobicContact CE1-CB 3.89Å; F210-V227 HydrophobicContact CE1-CG1 4.13Å; F210-V227 HydrophobicContact CE1-CG2 3.76Å; F210-V227 HydrophobicContact CE2-CG2 3.91Å; F210-V227 HydrophobicContact CZ-CB 4.25Å; F210-V227 HydrophobicContact CZ-CG2 3.57Å; F210-V227 PolarHBondContact O-N 3.43Å
211I98.1Very high95.8Very high72 Ų7245.4 Ų45.437%0.36925%0.247SC..EExtended strand (participates in β ladder)trans-100.6137.6176.2-60.1169.4000109.4K178 D224 V225 A226K178-I211 HydrophobicContact CD-CD1 4.1Å; K178-I211 HydrophobicContact CD-CG2 4.5Å; K178-I211 HydrophobicContact CG-CD1 4.36Å; I211-D224 HydrophobicContact CG2-CB 3.84Å; I211-V225 CarbonylContact C-O 3.54Å; I211-V225 WeakPolarHBondContact CA-O 3.33Å; I211-A226 HydrophobicContact CG1-CB 4.41Å
212I97.3Very high95.4Very high1 Ų153.8 Ų53.81%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-107.3119.9171.2-56.8173.8000107.6L38 L43 I47 F210 A216 F217 V225 V227L38-I212 HydrophobicContact CD1-CG2 4.37Å; L38-I212 HydrophobicContact CD2-CD1 4.11Å; L43-I212 HydrophobicContact CD1-CG2 3.95Å; I47-I212 HydrophobicContact CD1-CD1 4.06Å; I47-I212 HydrophobicContact CG1-CD1 4.36Å; F210-I212 HydrophobicContact CD2-CG1 3.94Å; F210-I212 HydrophobicContact CE2-CD1 3.88Å; F210-I212 HydrophobicContact CE2-CG1 3.49Å; F210-I212 VanDerWaalsContact CE2-CG1 3.49Å; F210-I212 HydrophobicContact CZ-CD1 4.4Å; F210-I212 HydrophobicContact CZ-CG1 4.44Å; I212-A216 HydrophobicContact CG2-CB 3.73Å; I212-F217 HydrophobicContact CB-CE2 3.92Å; I212-F217 HydrophobicContact CB-CZ 4.19Å; I212-F217 HydrophobicContact CD1-CZ 4.22Å; I212-F217 HydrophobicContact CG2-CD2 4.3Å; I212-F217 HydrophobicContact CG2-CE2 3.41Å; I212-F217 VanDerWaalsContact CG2-CE2 3.41Å; I212-F217 HydrophobicContact CG2-CZ 3.86Å; I212-V225 HydrophobicContact CB-CB 4.47Å; I212-V225 PolarHBondContact N-O 3.25Å; I212-V225 PolarHBondContact O-N 2.95Å; I212-V227 HydrophobicContact CD1-CG2 3.78Å; I212-V227 HydrophobicContact CG1-CG2 4.28Å
213P97.3Very high95.2Very high61 Ų6156.6 Ų56.640%0.39630%0.304SS..  trans-56.3138.4174.9-26.235.6000111.9Q215 A216 D224P213-Q215 HydrophobicContact CB-CG 3.88Å; P213-Q215 PolarHBondContact O-N 2.98Å; P213-Q215 VanDerWaalsContact O-N 3.13Å; P213-A216 VanDerWaalsContact O-CB 3.29Å; P213-A216 WeakPolarHBondContact O-CB 3.25Å; P213-A216 PolarHBondContact O-N 2.86Å; P213-D224 WeakPolarHBondContact CA-OD1 3.45Å
214G94.4Very high95.1Very high3 Ų359.1 Ų59.13%0.03132%0.317CS..G310 helixtrans-54.2-35.6-179.800000113.4A216 F217 P221 D224G214-A216 PolarHBondContact O-N 3.39Å; G214-F217 PolarHBondContact O-N 2.88Å; G214-P221 WeakPolarHBondContact O-CD 3.49Å; G214-D224 PolarHBondContact N-OD1 2.97Å
215Q94.4Very high95Very high157 Ų15759 Ų5973%0.73432%0.317SS*.G310 helixtrans-59.2-14.9176.865.7-176.366.200115.1P213 F217P213-Q215 HydrophobicContact CB-CG 3.88Å; P213-Q215 PolarHBondContact O-N 2.98Å; P213-Q215 VanDerWaalsContact O-N 3.13Å; Q215-F217 VanDerWaalsContact C-N 3.25Å; Q215-F217 PolarHBondContact O-N 2.91Å
216A93.4Very high95Very high30 Ų3056 Ų5625%0.24830%0.298CS..G310 helixtrans-77.7-10.6176.700000113.5L38 L43 I212 P213 G214L38-A216 HydrophobicContact CD1-CB 4.22Å; L43-A216 HydrophobicContact CD1-CB 3.62Å; I212-A216 HydrophobicContact CG2-CB 3.73Å; P213-A216 VanDerWaalsContact O-CB 3.29Å; P213-A216 WeakPolarHBondContact O-CB 3.25Å; P213-A216 PolarHBondContact O-N 2.86Å; G214-A216 PolarHBondContact O-N 3.39Å
217F92.3Very high95Very high5 Ų555 Ų552%0.02229%0.292CS..EExtended strand (participates in β ladder)trans-103.6155.2-178.1-63.1-95.8000112.2N36 F37 L38 I212 G214 Q215 P219 Q220 P221 V225N36-F217 HydrophobicContact CB-CB 4.08Å; N36-F217 HydrophobicContact CB-CD1 4Å; N36-F217 HydrophobicContact CB-CG 4.29Å; F37-F217 CarbonylContact O-C 3.36Å; F37-F217 VanDerWaalsContact O-CA 3.28Å; F37-F217 WeakPolarHBondContact O-CA 3.46Å; L38-F217 HydrophobicContact CB-CD1 4.13Å; L38-F217 HydrophobicContact CB-CE1 3.98Å; L38-F217 HydrophobicContact CD1-CD1 4.08Å; L38-F217 HydrophobicContact CD1-CE1 3.9Å; L38-F217 HydrophobicContact CD1-CE2 4.41Å; L38-F217 HydrophobicContact CD1-CG 4.41Å; L38-F217 HydrophobicContact CD1-CZ 4.07Å; L38-F217 HydrophobicContact CD2-CE1 4.42Å; L38-F217 HydrophobicContact CG-CE1 4.33Å; I212-F217 HydrophobicContact CB-CE2 3.92Å; I212-F217 HydrophobicContact CB-CZ 4.19Å; I212-F217 HydrophobicContact CD1-CZ 4.22Å; I212-F217 HydrophobicContact CG2-CD2 4.3Å; I212-F217 HydrophobicContact CG2-CE2 3.41Å; I212-F217 VanDerWaalsContact CG2-CE2 3.41Å; I212-F217 HydrophobicContact CG2-CZ 3.86Å; G214-F217 PolarHBondContact O-N 2.88Å; Q215-F217 VanDerWaalsContact C-N 3.25Å; Q215-F217 PolarHBondContact O-N 2.91Å; F217-P219 CarbonylContact C-O 3.57Å; F217-P219 CarbonylContact O-C 3.57Å; F217-Q220 WeakPolarHBondContact O-CA 3.24Å; F217-Q220 PolarHBondContact O-N 2.86Å; F217-P221 HydrophobicContact CB-CG 4.39Å; F217-P221 HydrophobicContact CD2-CG 4.24Å; F217-P221 HydrophobicContact CG-CG 4.47Å; F217-V225 HydrophobicContact CD2-CG2 4.1Å; F217-V225 HydrophobicContact CE1-CG2 4.39Å; F217-V225 HydrophobicContact CE2-CB 3.63Å; F217-V225 HydrophobicContact CE2-CG1 4.35Å; F217-V225 HydrophobicContact CE2-CG2 3.43Å; F217-V225 VanDerWaalsContact CE2-CG2 3.43Å; F217-V225 HydrophobicContact CZ-CB 3.63Å; F217-V225 HydrophobicContact CZ-CG1 3.82Å; F217-V225 HydrophobicContact CZ-CG2 3.6Å
218V88.9Confident95Very high75 Ų7549.9 Ų49.946%0.45527%0.268SS..EExtended strand (participates in β ladder)trans-128.5118.3175.4-176.60000109.9F37 L39F37-V218 WeakPolarHBondContact CB-O 3.45Å; F37-V218 WeakPolarHBondContact CD2-O 3.41Å; F37-V218 WeakPolarHBondContact CG-O 3.43Å; F37-V218 PolarHBondContact N-O 3.48Å; F37-V218 PolarHBondContact O-N 3.39Å; L39-V218 HydrophobicContact CD1-CB 4.2Å; L39-V218 HydrophobicContact CD1-CG2 3.92Å; L39-V218 HydrophobicContact CG-CG2 4.44Å
219P88.4Confident95.1Very high62 Ų6247.8 Ų47.840%0.40326%0.256SS..SBendcis-61.2159.4-12.829.3-36.6000111.8A29 Q35 N36 F217 P221A29-P219 HydrophobicContact CB-CG 3.78Å; Q35-P219 WeakPolarHBondContact O-CD 3.48Å; N36-P219 PolarHBondContact OD1-O 3.35Å; F217-P219 CarbonylContact C-O 3.57Å; F217-P219 CarbonylContact O-C 3.57Å; P219-P221 WeakPolarHBondContact O-CD 3.44Å
220Q90.8Very high95.1Very high133 Ų13346.3 Ų46.362%0.62125%0.246SC*.PPolyproline II helixtrans-69.2122.5176.1171.8172500109.9F217F217-Q220 WeakPolarHBondContact O-CA 3.24Å; F217-Q220 PolarHBondContact O-N 2.86Å
221P90.9Very high95.1Very high12 Ų1246.5 Ų46.58%0.07825%0.249CC..PPolyproline II helixtrans-69.2157.6168.929.6-35.9000111.3F144 G214 F217 P219 V223 V225F144-P221 HydrophobicContact CE2-CB 3.97Å; F144-P221 HydrophobicContact CZ-CB 4.24Å; G214-P221 WeakPolarHBondContact O-CD 3.49Å; F217-P221 HydrophobicContact CB-CG 4.39Å; F217-P221 HydrophobicContact CD2-CG 4.24Å; F217-P221 HydrophobicContact CG-CG 4.47Å; P219-P221 WeakPolarHBondContact O-CD 3.44Å; P221-V223 WeakPolarHBondContact CG-O 3.35Å; P221-V223 PolarHBondContact O-N 2.86Å; P221-V225 HydrophobicContact CG-CG2 4.28Å
222E91.6Very high95.1Very high204 Ų20443.1 Ų43.195%0.95323%0.232SC*.SBendtrans-69-15.6177.1-63178.3175.300113.6
223V94.4Very high95.2Very high61 Ų6144.5 Ų44.537%0.3724%0.239SC..SBendtrans-132.8153.8-176.2-61.90000110.5F144 Q177 P221F144-V223 HydrophobicContact CE2-CG2 4.31Å; Q177-V223 HydrophobicContact CB-CG2 3.97Å; Q177-V223 HydrophobicContact CG-CG2 3.74Å; P221-V223 WeakPolarHBondContact CG-O 3.35Å; P221-V223 PolarHBondContact O-N 2.86Å
224D97.1Very high95.3Very high59 Ų5944.3 Ų44.332%0.31624%0.237SC..  trans-63.3156.8170.5-66.5-29.8000111.7K178 I211 P213 G214K178-D224 HydrophobicContact CB-CB 4.1Å; K178-D224 WeakPolarHBondContact CB-O 3.24Å; K178-D224 HydrophobicContact CD-CB 4.03Å; K178-D224 PolarHBondContact N-O 3.13Å; I211-D224 HydrophobicContact CG2-CB 3.84Å; P213-D224 WeakPolarHBondContact CA-OD1 3.45Å; G214-D224 PolarHBondContact N-OD1 2.97Å
225V97.1Very high95.4Very high0 Ų051.1 Ų51.10%027%0.268CS..EExtended strand (participates in β ladder)trans-111.3141.2179.7-177.70000108.7F144 T175 F176 I211 I212 F217 P221F144-V225 HydrophobicContact CE1-CG2 4.01Å; F144-V225 HydrophobicContact CZ-CG2 3.68Å; T175-V225 HydrophobicContact CG2-CG1 4.28Å; F176-V225 CarbonylContact O-C 3.51Å; F176-V225 WeakPolarHBondContact O-CA 3.48Å; F176-V225 WeakPolarHBondContact O-CG1 3.47Å; I211-V225 CarbonylContact C-O 3.54Å; I211-V225 WeakPolarHBondContact CA-O 3.33Å; I212-V225 HydrophobicContact CB-CB 4.47Å; I212-V225 PolarHBondContact N-O 3.25Å; I212-V225 PolarHBondContact O-N 2.95Å; F217-V225 HydrophobicContact CD2-CG2 4.1Å; F217-V225 HydrophobicContact CE1-CG2 4.39Å; F217-V225 HydrophobicContact CE2-CB 3.63Å; F217-V225 HydrophobicContact CE2-CG1 4.35Å; F217-V225 HydrophobicContact CE2-CG2 3.43Å; F217-V225 VanDerWaalsContact CE2-CG2 3.43Å; F217-V225 HydrophobicContact CZ-CB 3.63Å; F217-V225 HydrophobicContact CZ-CG1 3.82Å; F217-V225 HydrophobicContact CZ-CG2 3.6Å; P221-V225 HydrophobicContact CG-CG2 4.28Å
226A97.7Very high95.6Very high0 Ų045.2 Ų45.20%024%0.243CC..EExtended strand (participates in β ladder)trans-119.3141.7175.300000110.1T175 F176 A181 F210 I211T175-A226 WeakPolarHBondContact CA-O 3.27Å; F176-A226 PolarHBondContact N-O 3.42Å; F176-A226 PolarHBondContact O-N 3.05Å; A181-A226 HydrophobicContact CB-CB 3.36Å; F210-A226 WeakPolarHBondContact O-CA 3.48Å; I211-A226 HydrophobicContact CG1-CB 4.41Å
227V98.3Very high95.9Very high0 Ų048.3 Ų48.30%025%0.251CS..EExtended strand (participates in β ladder)trans-92.9122.6174.5-176.70000107.8I47 T173 T175 C209 F210 I212I47-V227 HydrophobicContact CD1-CG2 4.43Å; I47-V227 HydrophobicContact CG1-CG2 3.87Å; I47-V227 HydrophobicContact CG2-CG1 4.46Å; T173-V227 HydrophobicContact CG2-CG1 3.8Å; T175-V227 HydrophobicContact CG2-CG2 4.36Å; C209-V227 HydrophobicContact CB-CB 4.41Å; C209-V227 HydrophobicContact CB-CG1 4.41Å; C209-V227 WeakPolarHBondContact CB-O 3.41Å; C209-V227 PolarHBondContact N-O 3.25Å; F210-V227 HydrophobicContact CD1-CB 4.13Å; F210-V227 HydrophobicContact CD1-CG2 4.27Å; F210-V227 HydrophobicContact CD2-CG2 4.38Å; F210-V227 HydrophobicContact CE1-CB 3.89Å; F210-V227 HydrophobicContact CE1-CG1 4.13Å; F210-V227 HydrophobicContact CE1-CG2 3.76Å; F210-V227 HydrophobicContact CE2-CG2 3.91Å; F210-V227 HydrophobicContact CZ-CB 4.25Å; F210-V227 HydrophobicContact CZ-CG2 3.57Å; F210-V227 PolarHBondContact O-N 3.43Å; I212-V227 HydrophobicContact CD1-CG2 3.78Å; I212-V227 HydrophobicContact CG1-CG2 4.28Å
228V98.6Very high96.2Very high0 Ų048.2 Ų48.20%025%0.25CS..EExtended strand (participates in β ladder)trans-120.4127.9-177.6-173.50000109.5L174 F176 A181 V206 E207 F230L174-V228 PolarHBondContact N-O 2.85Å; L174-V228 PolarHBondContact O-N 2.96Å; F176-V228 HydrophobicContact CD2-CB 4.01Å; F176-V228 HydrophobicContact CD2-CG2 3.8Å; F176-V228 HydrophobicContact CE2-CB 4.1Å; F176-V228 HydrophobicContact CE2-CG2 4.37Å; A181-V228 HydrophobicContact CB-CG2 3.47Å; A181-V228 VanDerWaalsContact CB-CG2 3.47Å; V206-V228 HydrophobicContact CG1-CG1 3.54Å; E207-V228 CarbonylContact O-C 3.58Å; E207-V228 VanDerWaalsContact O-CA 3.24Å; E207-V228 WeakPolarHBondContact O-CA 3.45Å; E207-V228 WeakPolarHBondContact O-CG1 3.38Å; V228-F230 HydrophobicContact CB-CE2 3.77Å; V228-F230 HydrophobicContact CB-CZ 4.2Å; V228-F230 HydrophobicContact CG1-CD2 4.09Å; V228-F230 HydrophobicContact CG1-CE1 4.28Å; V228-F230 HydrophobicContact CG1-CE2 3.39Å; V228-F230 HydrophobicContact CG1-CZ 3.51Å
229H98.8Very high96.6Very high15 Ų1551.2 Ų51.27%0.06926%0.259CS..EExtended strand (participates in β ladder)trans-101.7138.1174.8-173.683.1000110.4Q50 Q171 M172 T173 V206 E207 C209 T231Q50-H229 PolarHBondContact O-ND1 2.6Å; Q171-H229 PolarHBondContact NE2-NE2 2.75Å; M172-H229 CarbonylContact O-C 3.53Å; M172-H229 WeakPolarHBondContact O-CA 3.38Å; T173-H229 PolarHBondContact OG1-ND1 3.35Å; V206-H229 WeakPolarHBondContact CA-O 3.18Å; E207-H229 PolarHBondContact N-O 3.46Å; E207-H229 PolarHBondContact O-N 3.1Å; C209-H229 VanDerWaalsContact SG-CB 3.52Å; H229-T231 PolarHBondContact NE2-OG1 3.35Å
230F98.8Very high97Very high0 Ų050.1 Ų50.10%025%0.249CC..EExtended strand (participates in β ladder)trans-127.2129.5179.3-57.3-106.2000109.7I151 M172 F176 L184 C204 T205 V206 V228I151-F230 HydrophobicContact CD1-CD1 4.24Å; I151-F230 HydrophobicContact CD1-CD2 4.44Å; I151-F230 HydrophobicContact CD1-CE1 3.99Å; I151-F230 HydrophobicContact CD1-CE2 4.23Å; I151-F230 HydrophobicContact CD1-CG 4.46Å; I151-F230 HydrophobicContact CD1-CZ 3.98Å; I151-F230 HydrophobicContact CG1-CE1 4.03Å; I151-F230 HydrophobicContact CG1-CZ 3.95Å; M172-F230 HydrophobicContact CB-CB 4.22Å; M172-F230 HydrophobicContact CB-CD2 4.32Å; M172-F230 HydrophobicContact CE-CB 3.8Å; M172-F230 HydrophobicContact CE-CG 4.38Å; M172-F230 PolarHBondContact N-O 3.17Å; M172-F230 PolarHBondContact O-N 3Å; F176-F230 AromaticContact CE2-CE2 3.77Å; F176-F230 HydrophobicContact CE2-CE2 3.77Å; F176-F230 AromaticContact CE2-CZ 3.93Å; F176-F230 HydrophobicContact CE2-CZ 3.93Å; F176-F230 HydrophobicContact CZ-CE2 4.25Å; F176-F230 HydrophobicContact CZ-CZ 4.19Å; L184-F230 HydrophobicContact CD1-CZ 3.97Å; L184-F230 HydrophobicContact CD2-CE1 4.04Å; L184-F230 HydrophobicContact CD2-CZ 4.12Å; C204-F230 HydrophobicContact CB-CB 4.44Å; C204-F230 HydrophobicContact CB-CD1 4.36Å; T205-F230 WeakPolarHBondContact O-CA 3.42Å; V206-F230 HydrophobicContact CB-CD1 4.33Å; V206-F230 HydrophobicContact CB-CE1 4.42Å; V206-F230 HydrophobicContact CG1-CD1 3.78Å; V206-F230 HydrophobicContact CG1-CE1 3.5Å; V206-F230 HydrophobicContact CG1-CG 4.49Å; V206-F230 HydrophobicContact CG1-CZ 4Å; V206-F230 HydrophobicContact CG2-CD1 3.82Å; V206-F230 HydrophobicContact CG2-CE1 4.06Å; V228-F230 HydrophobicContact CB-CE2 3.77Å; V228-F230 HydrophobicContact CB-CZ 4.2Å; V228-F230 HydrophobicContact CG1-CD2 4.09Å; V228-F230 HydrophobicContact CG1-CE1 4.28Å; V228-F230 HydrophobicContact CG1-CE2 3.39Å; V228-F230 HydrophobicContact CG1-CZ 3.51Å
231T98.6Very high97.4Very high27 Ų2746.4 Ų46.417%0.16624%0.237CC..EExtended strand (participates in β ladder)trans-121.7116.3168.2-64.90000108.5P133 Q171 C204 T205 H229P133-T231 HydrophobicContact CG-CG2 4.47Å; Q171-T231 HydrophobicContact CG-CG2 4.39Å; Q171-T231 PolarHBondContact NE2-OG1 3.26Å; C204-T231 CarbonylContact C-O 3.46Å; C204-T231 VanDerWaalsContact CA-O 3.27Å; C204-T231 WeakPolarHBondContact CA-O 3.29Å; T205-T231 PolarHBondContact N-O 3.24Å; T205-T231 PolarHBondContact O-N 3.26Å; H229-T231 PolarHBondContact NE2-OG1 3.35Å
232P98.8Very high97.8Very high1 Ų146.2 Ų46.21%0.00623%0.234CC..EExtended strand (participates in β ladder)trans-54.4140.4173.6-25.734.8000111.9W129 V158 F165 R169 T170W129-P232 HydrophobicContact CH2-CB 4.04Å; W129-P232 HydrophobicContact CZ2-CB 3.96Å; V158-P232 HydrophobicContact CG1-CB 3.96Å; V158-P232 HydrophobicContact CG1-CG 4.48Å; V158-P232 HydrophobicContact CG2-CB 4.38Å; V158-P232 HydrophobicContact CG2-CG 4.02Å; F165-P232 HydrophobicContact CD1-CG 4Å; F165-P232 HydrophobicContact CE1-CG 3.86Å; R169-P232 HydrophobicContact CB-CB 3.94Å; R169-P232 HydrophobicContact CB-CG 4.28Å; R169-P232 WeakPolarHBondContact CD-O 3.24Å; R169-P232 HydrophobicContact CG-CB 4.1Å; R169-P232 PolarHBondContact NH1-O 3.28Å; R169-P232 VanDerWaalsContact NH1-O 3.08Å; T170-P232 WeakPolarHBondContact O-CD 3.23Å
233L98.8Very high98.1Very high30 Ų3039.7 Ų39.716%0.15721%0.208CC..  trans-78.1145.9179.1-63.6171.3000110.5W129 L203 T205 Q235 K237W129-L233 PolarHBondContact NE1-O 3.33Å; L203-L233 WeakPolarHBondContact O-CB 3.32Å; L203-L233 WeakPolarHBondContact O-CG 3.37Å; L203-L233 PolarHBondContact O-N 3.01Å; T205-L233 WeakPolarHBondContact OG1-CD2 3.34Å; L233-Q235 WeakPolarHBondContact CB-O 3.21Å; L233-K237 HydrophobicContact CD1-CD 4.49Å; L233-K237 HydrophobicContact CD1-CG 3.98Å
234V98.3Very high98.3Very high56 Ų5637 Ų3734%0.33919%0.192SC..SBendtrans-60.6-52.2169.21750000109.8W129 E130W129-V234 VanDerWaalsContact CD1-O 3.26Å; W129-V234 PolarHBondContact NE1-O 3.37Å; W129-V234 VanDerWaalsContact NE1-O 3.15Å; E130-V234 HydrophobicContact CB-CG1 4.39Å; E130-V234 HydrophobicContact CG-CG1 4.27Å
235Q98Very high98.3Very high147 Ų14734.2 Ų34.269%0.68718%0.177SC*.SBendtrans-112.2119.6172.5-66.6-172.22.800110L233L233-Q235 WeakPolarHBondContact CB-O 3.21Å
236P98.3Very high98.4Very high32 Ų3236.2 Ų36.221%0.20819%0.186CC..  trans-67.2146.8174.730.5-34.8000109.9H202 L203 I238 Q239H202-P236 CarbonylContact O-C 3.6Å; H202-P236 VanDerWaalsContact O-CA 3.24Å; H202-P236 WeakPolarHBondContact O-CA 3.37Å; H202-P236 WeakPolarHBondContact O-CB 3.4Å; L203-P236 HydrophobicContact CD2-CB 3.98Å; P236-I238 PolarHBondContact O-N 2.86Å; P236-Q239 HydrophobicContact CG-CG 3.9Å
237K98.6Very high98.4Very high96 Ų9637.1 Ų37.142%0.41719%0.19SC..SBendtrans-69.3-18.4-178.7-57.9-179.1-176.3148.90112.5Q201 H202 L233 M297 R301Q201-K237 WeakPolarHBondContact O-CD 3.41Å; Q201-K237 WeakPolarHBondContact O-CE 3.49Å; Q201-K237 PolarHBondContact O-NZ 2.89Å; H202-K237 HydrophobicContact CB-CB 4.3Å; H202-K237 PolarHBondContact O-N 3.36Å; L233-K237 HydrophobicContact CD1-CD 4.49Å; L233-K237 HydrophobicContact CD1-CG 3.98Å; K237-M297 HydrophobicContact CB-CG 3.55Å; K237-M297 HydrophobicContact CB-SD 4.44Å; K237-M297 HydrophobicContact CD-CB 4.39Å; K237-M297 HydrophobicContact CD-CE 4.38Å; K237-M297 HydrophobicContact CD-CG 3.69Å; K237-M297 HydrophobicContact CG-CG 4.25Å; K237-R301 WeakPolarHBondContact O-CD 3.4Å
238I98.6Very high98.4Very high2 Ų237.1 Ų37.11%0.0119%0.19CC..SBendtrans-131.6118.7173.8-51.8174.7000107.2I198 H202 P236 Q240 V245 M297 F300 R301 C304I198-I238 HydrophobicContact CG2-CD1 4.39Å; H202-I238 HydrophobicContact CB-CB 4.46Å; H202-I238 HydrophobicContact CB-CD1 4.06Å; H202-I238 HydrophobicContact CB-CG1 4.05Å; P236-I238 PolarHBondContact O-N 2.86Å; I238-Q240 HydrophobicContact CG2-CB 4.21Å; I238-Q240 HydrophobicContact CG2-CG 4.27Å; I238-Q240 PolarHBondContact O-N 3.16Å; I238-V245 HydrophobicContact CB-CG2 4.47Å; I238-V245 HydrophobicContact CD1-CG1 4.04Å; I238-V245 HydrophobicContact CG2-CG2 3.77Å; I238-M297 HydrophobicContact CD1-SD 3.91Å; I238-M297 HydrophobicContact CG1-SD 4.24Å; I238-F300 HydrophobicContact CD1-CB 3.78Å; I238-R301 HydrophobicContact CG1-CB 3.98Å; I238-C304 HydrophobicContact CG2-CB 3.91Å
239Q97.6Very high98.4Very high138 Ų13837.1 Ų37.165%0.64519%0.19SC*.  trans-101.367.7-178.8-69.4176.853.400110P236P236-Q239 HydrophobicContact CG-CG 3.9Å
240Q98.4Very high98.3Very high39 Ų3942.7 Ų42.718%0.18221%0.211CC..SBendtrans-138.1158.9177.6-70.2-62.8-2000109.6I238 F242 L244 V245 C304 N305I238-Q240 HydrophobicContact CG2-CB 4.21Å; I238-Q240 HydrophobicContact CG2-CG 4.27Å; I238-Q240 PolarHBondContact O-N 3.16Å; Q240-F242 PolarHBondContact O-N 2.9Å; Q240-L244 HydrophobicContact CB-CD2 4.17Å; Q240-L244 HydrophobicContact CG-CD2 4.44Å; Q240-V245 HydrophobicContact CB-CG2 3.89Å; Q240-C304 HydrophobicContact CB-CB 4.44Å; Q240-C304 HydrophobicContact CG-CB 3.97Å; Q240-N305 PolarHBondContact NE2-OD1 3.45Å
241P98.2Very high98.3Very high56 Ų5643.1 Ų43.136%0.36421%0.214SC..  trans-53.8137.6177.2-25.934.6000111.9V243 L244 V245P241-V243 VanDerWaalsContact C-N 3.25Å; P241-V243 HydrophobicContact CB-CG2 4.27Å; P241-V243 PolarHBondContact O-N 3.33Å; P241-V243 VanDerWaalsContact O-N 3.16Å; P241-L244 HydrophobicContact CB-CB 4.45Å; P241-L244 WeakPolarHBondContact O-CB 3.45Å; P241-L244 PolarHBondContact O-N 3.11Å; P241-V245 PolarHBondContact O-N 3Å; P241-V245 VanDerWaalsContact O-N 3.16Å
242F98.4Very high98.3Very high7 Ų741.8 Ų41.83%0.03121%0.206CC..Hα-helixtrans-49.5-46.4-176.6-179.2-94.1000112.7I152 L155 E156 M199 L203 Q240 L244 V245 E246I152-F242 HydrophobicContact CG2-CZ 4.32Å; L155-F242 HydrophobicContact CB-CE2 3.97Å; E156-F242 HydrophobicContact CB-CD1 3.8Å; E156-F242 HydrophobicContact CB-CD2 4.1Å; E156-F242 HydrophobicContact CB-CE1 3.81Å; E156-F242 HydrophobicContact CB-CE2 4.07Å; E156-F242 HydrophobicContact CB-CG 3.95Å; E156-F242 HydrophobicContact CB-CZ 3.93Å; E156-F242 HydrophobicContact CG-CB 4.27Å; E156-F242 HydrophobicContact CG-CD1 3.74Å; E156-F242 HydrophobicContact CG-CE1 4.19Å; E156-F242 HydrophobicContact CG-CG 3.94Å; M199-F242 HydrophobicContact CE-CD2 3.79Å; M199-F242 HydrophobicContact CE-CE1 4.12Å; M199-F242 HydrophobicContact CE-CE2 3.3Å; M199-F242 HydrophobicContact CE-CG 4.4Å; M199-F242 HydrophobicContact CE-CZ 3.49Å; M199-F242 VanDerWaalsContact CE-CZ 3.49Å; L203-F242 HydrophobicContact CD1-CD2 4.25Å; L203-F242 HydrophobicContact CD1-CE2 4.34Å; Q240-F242 PolarHBondContact O-N 2.9Å; F242-L244 VanDerWaalsContact C-N 3.28Å; F242-L244 PolarHBondContact O-N 2.77Å; F242-V245 PolarHBondContact O-N 3.09Å; F242-E246 HydrophobicContact CE1-CB 4.46Å; F242-E246 WeakPolarHBondContact O-CB 3.21Å; F242-E246 PolarHBondContact O-N 3.39Å
243V98.1Very high98.2Very high67 Ų6742.6 Ų42.641%0.40621%0.209SC..Hα-helixtrans-62.1-31179.9-670000113.5P241 K247 F318P241-V243 VanDerWaalsContact C-N 3.25Å; P241-V243 HydrophobicContact CB-CG2 4.27Å; P241-V243 PolarHBondContact O-N 3.33Å; P241-V243 VanDerWaalsContact O-N 3.16Å; V243-K247 VanDerWaalsContact O-CB 3.31Å; V243-K247 WeakPolarHBondContact O-CB 3.32Å; V243-K247 PolarHBondContact O-N 3.03Å; V243-F318 HydrophobicContact CB-CZ 4.13Å; V243-F318 HydrophobicContact CG2-CE1 4.42Å; V243-F318 HydrophobicContact CG2-CZ 3.7Å
244L98.6Very high98.1Very high5 Ų544.1 Ų44.13%0.02622%0.215CC..Hα-helixtrans-73.9-47.8176.3-175.8156.7000110.7Q240 P241 F242 E246 K247 I248 C304 Y307 R308 F318Q240-L244 HydrophobicContact CB-CD2 4.17Å; Q240-L244 HydrophobicContact CG-CD2 4.44Å; P241-L244 HydrophobicContact CB-CB 4.45Å; P241-L244 WeakPolarHBondContact O-CB 3.45Å; P241-L244 PolarHBondContact O-N 3.11Å; F242-L244 VanDerWaalsContact C-N 3.28Å; F242-L244 PolarHBondContact O-N 2.77Å; L244-E246 VanDerWaalsContact C-N 3.3Å; L244-E246 PolarHBondContact O-N 3.24Å; L244-K247 PolarHBondContact O-N 3.42Å; L244-I248 HydrophobicContact CD2-CD1 3.62Å; L244-I248 HydrophobicContact CG-CD1 4.49Å; L244-I248 PolarHBondContact O-N 3.11Å; L244-I248 VanDerWaalsContact O-N 3.08Å; L244-C304 HydrophobicContact CD2-CB 3.83Å; L244-Y307 HydrophobicContact CD1-CD1 4.46Å; L244-Y307 HydrophobicContact CD2-CD1 4.49Å; L244-Y307 HydrophobicContact CG-CD1 4.24Å; L244-R308 HydrophobicContact CD1-CB 3.85Å; L244-R308 HydrophobicContact CD1-CG 4.28Å; L244-F318 HydrophobicContact CB-CE2 4.07Å; L244-F318 HydrophobicContact CG-CE2 4.49Å
245V98.8Very high97.8Very high0 Ų045.1 Ų45.10%022%0.215CC..Hα-helixtrans-58.5-47.1175.5-176.50000109.6M199 I238 Q240 P241 F242 K247 I248 V249M199-V245 HydrophobicContact CE-CG1 4.47Å; M199-V245 HydrophobicContact SD-CG1 4.03Å; I238-V245 HydrophobicContact CB-CG2 4.47Å; I238-V245 HydrophobicContact CD1-CG1 4.04Å; I238-V245 HydrophobicContact CG2-CG2 3.77Å; Q240-V245 HydrophobicContact CB-CG2 3.89Å; P241-V245 PolarHBondContact O-N 3Å; P241-V245 VanDerWaalsContact O-N 3.16Å; F242-V245 PolarHBondContact O-N 3.09Å; V245-K247 PolarHBondContact O-N 2.8Å; V245-I248 PolarHBondContact O-N 2.94Å; V245-V249 HydrophobicContact CG1-CG2 4.02Å; V245-V249 WeakPolarHBondContact O-CB 3.41Å; V245-V249 WeakPolarHBondContact O-CG2 3.5Å; V245-V249 PolarHBondContact O-N 2.83Å
246E98.3Very high97.5Very high42 Ų4242.8 Ų42.820%0.19620%0.2CC..Hα-helixtrans-60.5-43.5178.1-170.1179.1-139.800112R195 M199 F242 L244 I248 R250R195-E246 IonicContact CZ-OE1 3.1Å; R195-E246 IonicContact NH1-OE1 3.49Å; R195-E246 PolarHBondContact NH1-OE1 3.28Å; M199-E246 HydrophobicContact CE-CB 3.75Å; M199-E246 HydrophobicContact CE-CG 4.28Å; M199-E246 HydrophobicContact SD-CB 4.23Å; F242-E246 HydrophobicContact CE1-CB 4.46Å; F242-E246 WeakPolarHBondContact O-CB 3.21Å; F242-E246 PolarHBondContact O-N 3.39Å; L244-E246 VanDerWaalsContact C-N 3.3Å; L244-E246 PolarHBondContact O-N 3.24Å; E246-I248 PolarHBondContact O-N 3.22Å; E246-R250 WeakPolarHBondContact O-CB 3.48Å; E246-R250 PolarHBondContact O-N 2.98Å
247K98.2Very high97.2Very high19 Ų1951.8 Ų51.88%0.08323%0.23CC..Hα-helixtrans-57.1-50.5177.9-175.1174.8-176.2175.30110.9V243 L244 V245 S251 L267 Y307 L317 F318 Y320V243-K247 VanDerWaalsContact O-CB 3.31Å; V243-K247 WeakPolarHBondContact O-CB 3.32Å; V243-K247 PolarHBondContact O-N 3.03Å; L244-K247 PolarHBondContact O-N 3.42Å; V245-K247 PolarHBondContact O-N 2.8Å; K247-S251 WeakPolarHBondContact O-CB 3.43Å; K247-S251 PolarHBondContact O-N 2.94Å; K247-S251 PolarHBondContact O-OG 2.79Å; K247-L267 HydrophobicContact CD-CD2 4.35Å; K247-L267 HydrophobicContact CG-CD2 3.95Å; K247-Y307 HydrophobicContact CD-CE1 4.37Å; K247-Y307 PolarHBondContact NZ-OH 3.5Å; K247-L317 PolarHBondContact NZ-O 3.19Å; K247-F318 HydrophobicContact CD-CD2 4.3Å; K247-F318 HydrophobicContact CD-CE2 4.23Å; K247-F318 VanDerWaalsContact NZ-C 3.32Å; K247-F318 PolarHBondContact NZ-O 3.08Å; K247-Y320 PolarHBondContact NZ-O 2.88Å
248I98.4Very high97.1Very high1 Ų153.7 Ų53.71%0.00524%0.238CC..Hα-helixtrans-66.7-50-178.2-67.3172.7000111.1L244 V245 E246 R250 S251 V252 L267 L303 C304 Y307L244-I248 HydrophobicContact CD2-CD1 3.62Å; L244-I248 HydrophobicContact CG-CD1 4.49Å; L244-I248 PolarHBondContact O-N 3.11Å; L244-I248 VanDerWaalsContact O-N 3.08Å; V245-I248 PolarHBondContact O-N 2.94Å; E246-I248 PolarHBondContact O-N 3.22Å; I248-R250 VanDerWaalsContact C-N 3.29Å; I248-R250 PolarHBondContact O-N 3.16Å; I248-S251 PolarHBondContact O-N 2.81Å; I248-S251 VanDerWaalsContact O-N 3.15Å; I248-V252 HydrophobicContact CG2-CG2 4.28Å; I248-V252 WeakPolarHBondContact O-CG2 3.42Å; I248-V252 PolarHBondContact O-N 2.8Å; I248-L267 HydrophobicContact CG1-CD1 4.2Å; I248-L303 HydrophobicContact CG2-CB 4.24Å; I248-C304 VanDerWaalsContact CD1-CA 3.45Å; I248-C304 HydrophobicContact CD1-CB 4.07Å; I248-Y307 HydrophobicContact CD1-CD1 3.7Å; I248-Y307 HydrophobicContact CD1-CG 3.86Å; I248-Y307 HydrophobicContact CG1-CD1 3.96Å; I248-Y307 HydrophobicContact CG1-CE1 4.49Å; I248-Y307 HydrophobicContact CG1-CG 4.26Å
249V98.1Very high97.1Very high0 Ų059.1 Ų59.10%026%0.26CS..Hα-helixtrans-60.8-41.7-178.9178.20000110.4R195 I198 M199 V245 F253 F300R195-V249 HydrophobicContact CB-CG1 3.94Å; R195-V249 HydrophobicContact CG-CB 4.48Å; R195-V249 HydrophobicContact CG-CG1 3.69Å; I198-V249 HydrophobicContact CB-CG1 3.85Å; I198-V249 HydrophobicContact CB-CG2 4.06Å; I198-V249 HydrophobicContact CG1-CG1 4.02Å; I198-V249 HydrophobicContact CG2-CG1 4.35Å; I198-V249 HydrophobicContact CG2-CG2 3.64Å; M199-V249 HydrophobicContact SD-CB 4.26Å; M199-V249 HydrophobicContact SD-CG2 4.22Å; V245-V249 HydrophobicContact CG1-CG2 4.02Å; V245-V249 WeakPolarHBondContact O-CB 3.41Å; V245-V249 WeakPolarHBondContact O-CG2 3.5Å; V245-V249 PolarHBondContact O-N 2.83Å; V249-F253 HydrophobicContact CG1-CD2 3.77Å; V249-F253 HydrophobicContact CG1-CE2 4.07Å; V249-F253 WeakPolarHBondContact O-CD2 3.35Å; V249-F253 PolarHBondContact O-N 2.79Å; V249-F300 HydrophobicContact CB-CE1 4.34Å; V249-F300 HydrophobicContact CG1-CE1 4.44Å; V249-F300 HydrophobicContact CG2-CD1 3.73Å; V249-F300 HydrophobicContact CG2-CE1 3.89Å; V249-F300 HydrophobicContact CG2-CG 4.45Å
250R97.6Very high97.1Very high131 Ų13152.6 Ų52.649%0.49423%0.229SC..Hα-helixtrans-59.9-46.7175.6-179.1176.566.6-1630.4111.4E246 I248 F253 Q254E246-R250 WeakPolarHBondContact O-CB 3.48Å; E246-R250 PolarHBondContact O-N 2.98Å; I248-R250 VanDerWaalsContact C-N 3.29Å; I248-R250 PolarHBondContact O-N 3.16Å; R250-F253 PolarHBondContact O-N 2.81Å; R250-Q254 PolarHBondContact O-N 3.49Å; R250-Q254 VanDerWaalsContact O-N 3.15Å
251S97.8Very high97.1Very high9 Ų951.6 Ų51.66%0.06323%0.226CC..Hα-helixtrans-65.3-45.4-178.9-61.20000111.9K247 I248 F253 Q254 G263 L267K247-S251 WeakPolarHBondContact O-CB 3.43Å; K247-S251 PolarHBondContact O-N 2.94Å; K247-S251 PolarHBondContact O-OG 2.79Å; I248-S251 PolarHBondContact O-N 2.81Å; I248-S251 VanDerWaalsContact O-N 3.15Å; S251-F253 PolarHBondContact O-N 3.04Å; S251-Q254 VanDerWaalsContact O-CB 3.28Å; S251-Q254 WeakPolarHBondContact O-CB 3.35Å; S251-Q254 PolarHBondContact O-N 3.02Å; S251-G263 CarbonylContact C-O 3.55Å; S251-G263 WeakPolarHBondContact CB-O 3.23Å; S251-G263 WeakPolarHBondContact O-CA 3.26Å; S251-L267 VanDerWaalsContact OG-CD2 3.29Å; S251-L267 WeakPolarHBondContact OG-CD2 3.32Å
252V97.7Very high97Very high0 Ų054.7 Ų54.70%023%0.231CC..Hα-helixtrans-59.4-44.5176.9168.90000112.2I248 Q254 C260 I264 P292 L295 F300I248-V252 HydrophobicContact CG2-CG2 4.28Å; I248-V252 WeakPolarHBondContact O-CG2 3.42Å; I248-V252 PolarHBondContact O-N 2.8Å; V252-Q254 VanDerWaalsContact C-N 3.31Å; V252-Q254 PolarHBondContact O-N 3.46Å; V252-C260 HydrophobicContact CG1-CB 4.42Å; V252-I264 HydrophobicContact CG2-CD1 3.48Å; V252-I264 VanDerWaalsContact CG2-CD1 3.48Å; V252-I264 HydrophobicContact CG2-CG1 4.25Å; V252-P292 HydrophobicContact CG1-CB 3.96Å; V252-P292 HydrophobicContact CG1-CG 4.3Å; V252-P292 WeakPolarHBondContact O-CG 3.47Å; V252-L295 HydrophobicContact CG1-CD1 3.57Å; V252-F300 HydrophobicContact CB-CE1 3.99Å; V252-F300 HydrophobicContact CB-CZ 4.36Å; V252-F300 HydrophobicContact CG1-CE1 3.85Å; V252-F300 HydrophobicContact CG1-CZ 3.76Å; V252-F300 HydrophobicContact CG2-CE1 4.12Å
253F97.4Very high97Very high17 Ų1754.4 Ų54.48%0.07523%0.23CC..Hα-helixtrans-82.4-1.9-179.1-80.9-75.5000114.7R193 R195 I198 V249 R250 S251 F255 R256 P292 I293 F300R193-F253 HydrophobicContact CG-CZ 4.26Å; R195-F253 HydrophobicContact CB-CD2 4.44Å; I198-F253 HydrophobicContact CD1-CE2 4.49Å; I198-F253 HydrophobicContact CG1-CE2 3.73Å; I198-F253 HydrophobicContact CG1-CZ 4.33Å; V249-F253 HydrophobicContact CG1-CD2 3.77Å; V249-F253 HydrophobicContact CG1-CE2 4.07Å; V249-F253 WeakPolarHBondContact O-CD2 3.35Å; V249-F253 PolarHBondContact O-N 2.79Å; R250-F253 PolarHBondContact O-N 2.81Å; S251-F253 PolarHBondContact O-N 3.04Å; F253-F255 VanDerWaalsContact C-N 3.29Å; F253-F255 PolarHBondContact O-N 3.21Å; F253-R256 WeakPolarHBondContact O-CG 3.46Å; F253-P292 HydrophobicContact CD1-CB 3.74Å; F253-P292 HydrophobicContact CE1-CB 3.78Å; F253-P292 HydrophobicContact CG-CB 4.34Å; F253-P292 HydrophobicContact CZ-CB 4.4Å; F253-I293 HydrophobicContact CE1-CG2 4.22Å; F253-F300 HydrophobicContact CD2-CZ 4.18Å; F253-F300 HydrophobicContact CE2-CE1 4.39Å; F253-F300 HydrophobicContact CE2-CE2 4.04Å; F253-F300 AromaticContact CE2-CZ 3.49Å; F253-F300 HydrophobicContact CE2-CZ 3.49Å; F253-F300 VanDerWaalsContact CE2-CZ 3.49Å; F253-F300 HydrophobicContact CZ-CE2 4.47Å; F253-F300 HydrophobicContact CZ-CZ 4.21Å
254Q95.8Very high97Very high62 Ų6251.2 Ų51.229%0.2921%0.21SC..Hα-helixtrans-60.8-39.5178.1-175.6169.2-57.200111.9R250 S251 V252 I266 Y322R250-Q254 PolarHBondContact O-N 3.49Å; R250-Q254 VanDerWaalsContact O-N 3.15Å; S251-Q254 VanDerWaalsContact O-CB 3.28Å; S251-Q254 WeakPolarHBondContact O-CB 3.35Å; S251-Q254 PolarHBondContact O-N 3.02Å; V252-Q254 VanDerWaalsContact C-N 3.31Å; V252-Q254 PolarHBondContact O-N 3.46Å; Q254-I266 HydrophobicContact CB-CD1 4.28Å; Q254-I266 HydrophobicContact CG-CD1 4.47Å; Q254-I266 VanDerWaalsContact OE1-CD1 3.25Å; Q254-Y322 PolarHBondContact NE2-OH 3.37Å; Q254-Y322 PolarHBondContact OE1-OH 2.87Å
255F94.1Very high96.9Very high77 Ų7752.6 Ų52.634%0.33822%0.217SC..THydrogen-bonded Turntrans-113.867.1-178.4-52.5-61.3000111.7F253 R257 K258 R262 I266F253-F255 VanDerWaalsContact C-N 3.29Å; F253-F255 PolarHBondContact O-N 3.21Å; F255-R257 PolarHBondContact O-N 3Å; F255-K258 HydrophobicContact CB-CB 3.94Å; F255-K258 HydrophobicContact CB-CG 4.11Å; F255-K258 PolarHBondContact O-N 3.49Å; F255-R262 HydrophobicContact CD2-CB 4.2Å; F255-R262 WeakPolarHBondContact CD2-O 3.42Å; F255-R262 WeakPolarHBondContact CE2-O 3.05Å; F255-I266 HydrophobicContact CE2-CD1 4.45Å; F255-I266 HydrophobicContact CE2-CG2 3.99Å; F255-I266 HydrophobicContact CZ-CG2 4.43Å
256R90.3Very high96.8Very high98 Ų9853.4 Ų53.437%0.3722%0.221SC..THydrogen-bonded Turntrans-50.5-31.9-175.6-67.2-179.463.175.2-3115.4K191 R193 F253K191-R256 PolarHBondContact O-NH2 3.46Å; R193-R256 PolarHBondContact O-NH1 3.13Å; R193-R256 PolarHBondContact O-NH2 3.25Å; R193-R256 VanDerWaalsContact O-NH2 3.1Å; F253-R256 WeakPolarHBondContact O-CG 3.46Å
257R92.9Very high96.8Very high222 Ų22251.5 Ų51.584%0.83821%0.212SC*.THydrogen-bonded Turntrans-95.60.3-176.7-61.8-176.2-176.5170.90.9113.6F255 R291F255-R257 PolarHBondContact O-N 3Å; R257-R291 VanDerWaalsContact C-NH1 3.26Å; R257-R291 PolarHBondContact O-NH1 2.81Å
258K96.6Very high96.8Very high135 Ų13550.6 Ų50.659%0.58721%0.208SC*.SBendtrans-107.6171.9175.6-60.8-66.2-173.9174.50109.9F255 R262 P292F255-K258 HydrophobicContact CB-CB 3.94Å; F255-K258 HydrophobicContact CB-CG 4.11Å; F255-K258 PolarHBondContact O-N 3.49Å; K258-R262 HydrophobicContact CB-CB 4.26Å; K258-R262 HydrophobicContact CB-CG 4.18Å; K258-P292 VanDerWaalsContact O-CD 3.24Å; K258-P292 WeakPolarHBondContact O-CD 3.37Å
259Y98.1Very high96.7Very high117 Ų11751.7 Ų51.746%0.45922%0.215SC..  trans-65.7148.8170.5-57.9-33000110.9C261 R262 P288 T289Y259-C261 PolarHBondContact O-N 2.97Å; Y259-R262 WeakPolarHBondContact O-CB 3.36Å; Y259-R262 PolarHBondContact O-N 2.94Å; Y259-R262 VanDerWaalsContact O-N 3.11Å; Y259-P288 WeakPolarHBondContact CB-O 3.32Å; Y259-T289 WeakPolarHBondContact CD1-O 3.39Å; Y259-T289 HydrophobicContact CD2-CG2 4.25Å; Y259-T289 WeakPolarHBondContact CE1-O 3.43Å; Y259-T289 HydrophobicContact CE2-CG2 4.21Å
260C97.3Very high96.6Very high1 Ų155.9 Ų55.91%0.00724%0.235CC..Hα-helixtrans-64.1-29-172.766.60000112.7V252 R262 G263 I264 M281 L290 L295V252-C260 HydrophobicContact CG1-CB 4.42Å; C260-R262 PolarHBondContact O-N 3.49Å; C260-G263 WeakPolarHBondContact O-CA 3.25Å; C260-G263 PolarHBondContact O-N 3.38Å; C260-I264 PolarHBondContact O-N 3.15Å; C260-I264 VanDerWaalsContact O-N 3.08Å; C260-M281 VanDerWaalsContact SG-CE 3.55Å; C260-L290 VanDerWaalsContact CB-O 3.23Å; C260-L290 WeakPolarHBondContact CB-O 3.32Å; C260-L290 PolarHBondContact N-O 2.72Å; C260-L290 PolarHBondContact SG-O 3Å; C260-L295 HydrophobicContact CB-CD1 3.75Å; C260-L295 HydrophobicContact CB-CG 4.43Å
261C97.7Very high96.5Very high17 Ų1754.9 Ų54.912%0.11525%0.247CC..Hα-helixtrans-53.5-36.4173.6620000112.4Y259 G263 I264 E265 T277 P288Y259-C261 PolarHBondContact O-N 2.97Å; C261-G263 VanDerWaalsContact C-N 3.25Å; C261-G263 PolarHBondContact O-N 3.39Å; C261-I264 CarbonylContact O-C 3.23Å; C261-I264 WeakPolarHBondContact O-CA 3.44Å; C261-I264 WeakPolarHBondContact O-CB 3.29Å; C261-I264 PolarHBondContact O-N 2.95Å; C261-E265 WeakPolarHBondContact O-CG 3.44Å; C261-E265 PolarHBondContact O-N 3.12Å; C261-T277 HydrophobicContact CB-CG2 4.38Å; C261-P288 HydrophobicContact CB-CB 4.05Å; C261-P288 PolarHBondContact N-O 3.38Å; C261-P288 PolarHBondContact SG-O 3.18Å; C261-P288 VanDerWaalsContact SG-O 3.4Å
262R97.9Very high96.4Very high122 Ų12258 Ų5846%0.4626%0.261SS..Hα-helixtrans-64.5-30.3176.2-57.1-52.6-172.7176.11.8113F255 K258 Y259 C260 E265F255-R262 HydrophobicContact CD2-CB 4.2Å; F255-R262 WeakPolarHBondContact CD2-O 3.42Å; F255-R262 WeakPolarHBondContact CE2-O 3.05Å; K258-R262 HydrophobicContact CB-CB 4.26Å; K258-R262 HydrophobicContact CB-CG 4.18Å; Y259-R262 WeakPolarHBondContact O-CB 3.36Å; Y259-R262 PolarHBondContact O-N 2.94Å; Y259-R262 VanDerWaalsContact O-N 3.11Å; C260-R262 PolarHBondContact O-N 3.49Å; R262-E265 WeakPolarHBondContact CD-OE1 3.38Å; R262-E265 VanDerWaalsContact CD-OE2 3.22Å; R262-E265 WeakPolarHBondContact CD-OE2 3.3Å; R262-E265 IonicContact CZ-OE1 3.96Å; R262-E265 IonicContact NE-OE1 2.63Å; R262-E265 IonicContact NH1-OE1 3.29Å; R262-E265 PolarHBondContact NH1-OE1 2.85Å; R262-E265 IonicContact NH1-OE2 3.42Å; R262-E265 PolarHBondContact NH1-OE2 3.05Å
263G97.3Very high96.3Very high1 Ų160.7 Ų60.71%0.0127%0.271CS..Hα-helixtrans-78.4-26.3171.900000112.9S251 C260 C261 I266S251-G263 CarbonylContact C-O 3.55Å; S251-G263 WeakPolarHBondContact CB-O 3.23Å; S251-G263 WeakPolarHBondContact O-CA 3.26Å; C260-G263 WeakPolarHBondContact O-CA 3.25Å; C260-G263 PolarHBondContact O-N 3.38Å; C261-G263 VanDerWaalsContact C-N 3.25Å; C261-G263 PolarHBondContact O-N 3.39Å; G263-I266 WeakPolarHBondContact O-CG1 3.45Å
264I98Very high96.3Very high0 Ų066.5 Ų66.50%030%0.302CS..Hα-helixtrans-76.9-38.2174.6-64.3-59.5000111.2V252 C260 C261 I266 L267 F268 T277 L280 M281 L303V252-I264 HydrophobicContact CG2-CD1 3.48Å; V252-I264 VanDerWaalsContact CG2-CD1 3.48Å; V252-I264 HydrophobicContact CG2-CG1 4.25Å; C260-I264 PolarHBondContact O-N 3.15Å; C260-I264 VanDerWaalsContact O-N 3.08Å; C261-I264 CarbonylContact O-C 3.23Å; C261-I264 WeakPolarHBondContact O-CA 3.44Å; C261-I264 WeakPolarHBondContact O-CB 3.29Å; C261-I264 PolarHBondContact O-N 2.95Å; I264-I266 PolarHBondContact O-N 3.17Å; I264-L267 HydrophobicContact CD1-CD1 4.04Å; I264-L267 HydrophobicContact CG2-CD1 4.48Å; I264-L267 WeakPolarHBondContact O-CB 3.37Å; I264-L267 WeakPolarHBondContact O-CG 3.26Å; I264-L267 PolarHBondContact O-N 3.31Å; I264-F268 HydrophobicContact CG2-CE2 3.92Å; I264-T277 HydrophobicContact CB-CG2 4.26Å; I264-T277 HydrophobicContact CG2-CG2 3.89Å; I264-L280 HydrophobicContact CD1-CD2 4.28Å; I264-L280 HydrophobicContact CG2-CD1 4.33Å; I264-L280 HydrophobicContact CG2-CD2 3.85Å; I264-L280 HydrophobicContact CG2-CG 4.48Å; I264-M281 HydrophobicContact CB-SD 4.47Å; I264-M281 HydrophobicContact CG1-SD 3.87Å; I264-M281 HydrophobicContact CG2-SD 4.49Å; I264-L303 HydrophobicContact CD1-CD2 4.31Å
265E97.8Very high96.4Very high34 Ų3469.9 Ų69.916%0.15932%0.316CS..Hα-helixtrans-48.9-36.9178-82.7170.4-170.400113.8C261 R262 L267 F268 R273 T277C261-E265 WeakPolarHBondContact O-CG 3.44Å; C261-E265 PolarHBondContact O-N 3.12Å; R262-E265 WeakPolarHBondContact CD-OE1 3.38Å; R262-E265 VanDerWaalsContact CD-OE2 3.22Å; R262-E265 WeakPolarHBondContact CD-OE2 3.3Å; R262-E265 IonicContact CZ-OE1 3.96Å; R262-E265 IonicContact NE-OE1 2.63Å; R262-E265 IonicContact NH1-OE1 3.29Å; R262-E265 PolarHBondContact NH1-OE1 2.85Å; R262-E265 IonicContact NH1-OE2 3.42Å; R262-E265 PolarHBondContact NH1-OE2 3.05Å; E265-L267 PolarHBondContact O-N 3.4Å; E265-F268 PolarHBondContact O-N 2.92Å; E265-R273 HydrophobicContact CB-CG 3.82Å; E265-R273 HydrophobicContact CG-CG 3.93Å; E265-R273 WeakPolarHBondContact O-CG 3.49Å; E265-R273 PolarHBondContact O-NE 3.17Å; E265-R273 VanDerWaalsContact O-NE 3.1Å; E265-T277 WeakPolarHBondContact CA-OG1 3.37Å; E265-T277 HydrophobicContact CG-CG2 4.08Å
266I96.7Very high96.6Very high17 Ų1767 Ų679%0.08730%0.304CS..THydrogen-bonded Turntrans-77.10.1-179.663.2164.7000114Q254 F255 G263 I264 F268 Y320 Y322Q254-I266 HydrophobicContact CB-CD1 4.28Å; Q254-I266 HydrophobicContact CG-CD1 4.47Å; Q254-I266 VanDerWaalsContact OE1-CD1 3.25Å; F255-I266 HydrophobicContact CE2-CD1 4.45Å; F255-I266 HydrophobicContact CE2-CG2 3.99Å; F255-I266 HydrophobicContact CZ-CG2 4.43Å; G263-I266 WeakPolarHBondContact O-CG1 3.45Å; I264-I266 PolarHBondContact O-N 3.17Å; I266-F268 VanDerWaalsContact C-N 3.29Å; I266-Y320 WeakPolarHBondContact O-CE1 3.48Å; I266-Y322 HydrophobicContact CB-CD1 3.84Å; I266-Y322 HydrophobicContact CB-CD2 4.34Å; I266-Y322 HydrophobicContact CB-CE1 4.36Å; I266-Y322 HydrophobicContact CB-CG 3.85Å; I266-Y322 HydrophobicContact CD1-CD1 4.13Å; I266-Y322 HydrophobicContact CD1-CE1 3.88Å; I266-Y322 HydrophobicContact CG1-CD1 4.45Å; I266-Y322 HydrophobicContact CG2-CD1 4.49Å; I266-Y322 HydrophobicContact CG2-CD2 4.17Å; I266-Y322 HydrophobicContact CG2-CE2 4.5Å; I266-Y322 HydrophobicContact CG2-CG 4.19Å
267L97.5Very high97Very high1 Ų162.8 Ų62.81%0.00529%0.289CS..THydrogen-bonded Turntrans-82.3-10.2168.8-64.1173000112.5K247 I248 S251 I264 E265 Y307 Y320K247-L267 HydrophobicContact CD-CD2 4.35Å; K247-L267 HydrophobicContact CG-CD2 3.95Å; I248-L267 HydrophobicContact CG1-CD1 4.2Å; S251-L267 VanDerWaalsContact OG-CD2 3.29Å; S251-L267 WeakPolarHBondContact OG-CD2 3.32Å; I264-L267 HydrophobicContact CD1-CD1 4.04Å; I264-L267 HydrophobicContact CG2-CD1 4.48Å; I264-L267 WeakPolarHBondContact O-CB 3.37Å; I264-L267 WeakPolarHBondContact O-CG 3.26Å; I264-L267 PolarHBondContact O-N 3.31Å; E265-L267 PolarHBondContact O-N 3.4Å; L267-Y307 HydrophobicContact CB-CE2 3.9Å; L267-Y307 HydrophobicContact CD1-CD2 4.22Å; L267-Y307 HydrophobicContact CD1-CE2 4.15Å; L267-Y307 HydrophobicContact CG-CE2 4.44Å; L267-Y320 VanDerWaalsContact O-CD1 3.3Å; L267-Y320 WeakPolarHBondContact O-CD1 3.47Å
268F98.1Very high97.2Very high0 Ų058.7 Ų58.70%028%0.279CS..SBendtrans-125.7142.3-171.8-58.1-64.1000112.5I264 E265 I266 R273 K276 L280 Y307 M310 L317 Y320I264-F268 HydrophobicContact CG2-CE2 3.92Å; E265-F268 PolarHBondContact O-N 2.92Å; I266-F268 VanDerWaalsContact C-N 3.29Å; F268-R273 PolarHBondContact O-NE 2.87Å; F268-R273 PolarHBondContact O-NH2 3.31Å; F268-K276 HydrophobicContact CB-CB 4.22Å; F268-K276 HydrophobicContact CD1-CB 3.52Å; F268-K276 HydrophobicContact CD1-CD 3.65Å; F268-K276 HydrophobicContact CD1-CG 4.15Å; F268-K276 HydrophobicContact CD2-CB 3.86Å; F268-K276 HydrophobicContact CE1-CB 3.7Å; F268-K276 HydrophobicContact CE1-CD 4.07Å; F268-K276 HydrophobicContact CE1-CG 4.36Å; F268-K276 HydrophobicContact CE2-CB 4.02Å; F268-K276 HydrophobicContact CG-CB 3.59Å; F268-K276 HydrophobicContact CG-CD 4.35Å; F268-K276 HydrophobicContact CZ-CB 3.93Å; F268-L280 HydrophobicContact CE2-CB 4.3Å; F268-L280 HydrophobicContact CE2-CD1 4.07Å; F268-L280 HydrophobicContact CZ-CB 4.13Å; F268-L280 HydrophobicContact CZ-CD1 3.61Å; F268-Y307 HydrophobicContact CE1-CD2 4.25Å; F268-Y307 AromaticContact CE1-CE2 3.97Å; F268-Y307 HydrophobicContact CE1-CE2 3.97Å; F268-Y307 HydrophobicContact CZ-CD2 4.15Å; F268-Y307 HydrophobicContact CZ-CE2 4.21Å; F268-M310 HydrophobicContact CE1-CE 3.73Å; F268-M310 HydrophobicContact CE1-SD 4.17Å; F268-M310 HydrophobicContact CZ-CE 3.83Å; F268-M310 HydrophobicContact CZ-SD 3.92Å; F268-L317 HydrophobicContact CD1-CD2 3.9Å; F268-L317 HydrophobicContact CE1-CD1 4.21Å; F268-L317 HydrophobicContact CE1-CD2 4.39Å; F268-Y320 VanDerWaalsContact C-CZ 3.47Å; F268-Y320 WeakPolarHBondContact O-CE1 3.39Å; F268-Y320 PolarHBondContact O-OH 3.01Å; F268-Y320 VanDerWaalsContact O-OH 3.06Å
269P96.7Very high97.3Very high24 Ų2456.6 Ų56.616%0.15627%0.271CS..  trans-53.1147.9171.1-23.833.1000111.9S271 E272 R273 Y320P269-S271 PolarHBondContact O-N 3.37Å; P269-E272 PolarHBondContact O-N 2.88Å; P269-E272 VanDerWaalsContact O-N 3.12Å; P269-R273 WeakPolarHBondContact O-CA 3.29Å; P269-R273 WeakPolarHBondContact O-CB 3.43Å; P269-R273 PolarHBondContact O-N 3.38Å; P269-Y320 HydrophobicContact CB-CD2 4.45Å; P269-Y320 HydrophobicContact CB-CE2 4.08Å; P269-Y320 HydrophobicContact CG-CD2 3.84Å; P269-Y320 HydrophobicContact CG-CE2 3.96Å; P269-Y320 HydrophobicContact CG-CG 4.28Å
270E95.4Very high97.3Very high89 Ų8951.1 Ų51.142%0.41625%0.25SC..THydrogen-bonded Turntrans-59.8-34.4-174.1-168.4171.6131.400113.3E272 R273 E325 K329E270-E272 PolarHBondContact O-N 2.94Å; E270-R273 PolarHBondContact O-N 2.91Å; E270-R273 IonicContact OE2-NH1 2.97Å; E270-E325 WeakPolarHBondContact CB-OE1 3.14Å; E270-E325 PolarHBondContact N-OE1 3.43Å; E270-K329 IonicContact OE1-NZ 3.36Å; E270-K329 PolarHBondContact OE1-NZ 2.97Å; E270-K329 IonicContact OE2-NZ 2.71Å; E270-K329 PolarHBondContact OE2-NZ 3.33Å
271S94.8Very high97.4Very high109 Ų10951.3 Ų51.376%0.76225%0.251SS*.THydrogen-bonded Turntrans-60.6-28178.751.80000114.2P269P269-S271 PolarHBondContact O-N 3.37Å
272E95.8Very high97.4Very high76 Ų7658.2 Ų58.236%0.35528%0.283SS..THydrogen-bonded Turntrans-122.31.7-175.8-61.9-175.792.800112.9P269 E270 L274 K275 K276P269-E272 PolarHBondContact O-N 2.88Å; P269-E272 VanDerWaalsContact O-N 3.12Å; E270-E272 PolarHBondContact O-N 2.94Å; E272-L274 PolarHBondContact O-N 2.81Å; E272-K275 PolarHBondContact O-N 3.47Å; E272-K276 HydrophobicContact CB-CD 3.95Å; E272-K276 HydrophobicContact CB-CG 4.14Å; E272-K276 VanDerWaalsContact CD-NZ 3.34Å; E272-K276 WeakPolarHBondContact O-CB 3.5Å; E272-K276 PolarHBondContact O-N 3.18Å; E272-K276 VanDerWaalsContact OE1-CE 3.25Å; E272-K276 WeakPolarHBondContact OE1-CE 3.33Å; E272-K276 IonicContact OE1-NZ 3.02Å; E272-K276 PolarHBondContact OE1-NZ 3.21Å; E272-K276 WeakPolarHBondContact OE2-CE 3.44Å; E272-K276 IonicContact OE2-NZ 3.38Å; E272-K276 PolarHBondContact OE2-NZ 3.07Å
273R96.8Very high97.4Very high55 Ų5556 Ų5621%0.20829%0.292CS..Hα-helixtrans-53.7-50-167.6175.7173-69.3147.913.9113.4E265 F268 P269 E270 T277 Y320 E325E265-R273 HydrophobicContact CB-CG 3.82Å; E265-R273 HydrophobicContact CG-CG 3.93Å; E265-R273 WeakPolarHBondContact O-CG 3.49Å; E265-R273 PolarHBondContact O-NE 3.17Å; E265-R273 VanDerWaalsContact O-NE 3.1Å; F268-R273 PolarHBondContact O-NE 2.87Å; F268-R273 PolarHBondContact O-NH2 3.31Å; P269-R273 WeakPolarHBondContact O-CA 3.29Å; P269-R273 WeakPolarHBondContact O-CB 3.43Å; P269-R273 PolarHBondContact O-N 3.38Å; E270-R273 PolarHBondContact O-N 2.91Å; E270-R273 IonicContact OE2-NH1 2.97Å; R273-T277 WeakPolarHBondContact O-CB 3.26Å; R273-T277 PolarHBondContact O-N 2.73Å; R273-T277 PolarHBondContact O-OG1 3.09Å; R273-Y320 PolarHBondContact NH2-OH 2.85Å; R273-E325 IonicContact NH2-OE2 2.81Å; R273-E325 PolarHBondContact NH2-OE2 2.63Å
274L96.8Very high97.4Very high139 Ų13956 Ų5673%0.72829%0.291SS*.Hα-helixtrans-63.3-53.3-176.8-174.765.8000110.6E272 T277 E278E272-L274 PolarHBondContact O-N 2.81Å; L274-T277 PolarHBondContact O-N 3.22Å; L274-E278 PolarHBondContact O-N 3.46Å
275K97.9Very high97.4Very high133 Ų13362.6 Ų62.658%0.57833%0.327SS*.Hα-helixtrans-60.1-50.7-179.2-176-178.8177.6-175.80112.1E272 T277 E278 Q279E272-K275 PolarHBondContact O-N 3.47Å; K275-T277 VanDerWaalsContact C-N 3.33Å; K275-T277 PolarHBondContact O-N 2.57Å; K275-E278 PolarHBondContact O-N 3.36Å; K275-Q279 WeakPolarHBondContact O-CB 3.32Å; K275-Q279 VanDerWaalsContact O-CG 3.25Å; K275-Q279 WeakPolarHBondContact O-CG 3.32Å; K275-Q279 PolarHBondContact O-N 3.18Å
276K98.1Very high97.5Very high17 Ų1761.3 Ų61.37%0.07432%0.321CS..Hα-helixtrans-67.4-32.6-179.3-77.4-173.8170.7167.90112.2F268 E272 L280 M310 D314 L317F268-K276 HydrophobicContact CB-CB 4.22Å; F268-K276 HydrophobicContact CD1-CB 3.52Å; F268-K276 HydrophobicContact CD1-CD 3.65Å; F268-K276 HydrophobicContact CD1-CG 4.15Å; F268-K276 HydrophobicContact CD2-CB 3.86Å; F268-K276 HydrophobicContact CE1-CB 3.7Å; F268-K276 HydrophobicContact CE1-CD 4.07Å; F268-K276 HydrophobicContact CE1-CG 4.36Å; F268-K276 HydrophobicContact CE2-CB 4.02Å; F268-K276 HydrophobicContact CG-CB 3.59Å; F268-K276 HydrophobicContact CG-CD 4.35Å; F268-K276 HydrophobicContact CZ-CB 3.93Å; E272-K276 HydrophobicContact CB-CD 3.95Å; E272-K276 HydrophobicContact CB-CG 4.14Å; E272-K276 VanDerWaalsContact CD-NZ 3.34Å; E272-K276 WeakPolarHBondContact O-CB 3.5Å; E272-K276 PolarHBondContact O-N 3.18Å; E272-K276 VanDerWaalsContact OE1-CE 3.25Å; E272-K276 WeakPolarHBondContact OE1-CE 3.33Å; E272-K276 IonicContact OE1-NZ 3.02Å; E272-K276 PolarHBondContact OE1-NZ 3.21Å; E272-K276 WeakPolarHBondContact OE2-CE 3.44Å; E272-K276 IonicContact OE2-NZ 3.38Å; E272-K276 PolarHBondContact OE2-NZ 3.07Å; K276-L280 WeakPolarHBondContact O-CB 3.4Å; K276-L280 PolarHBondContact O-N 2.96Å; K276-M310 HydrophobicContact CB-CE 3.8Å; K276-M310 HydrophobicContact CD-CE 4.24Å; K276-M310 HydrophobicContact CG-CE 3.8Å; K276-D314 IonicContact NZ-OD2 2.77Å; K276-D314 PolarHBondContact NZ-OD2 3.3Å; K276-L317 HydrophobicContact CD-CD1 4.43Å; K276-L317 HydrophobicContact CD-CD2 4.2Å
277T98.4Very high97.5Very high9 Ų965.9 Ų65.96%0.05534%0.342CS..Hα-helixtrans-65.3-49.5173.5-60.90000111.2C261 I264 E265 R273 L274 K275 Q279 L280 M281C261-T277 HydrophobicContact CB-CG2 4.38Å; I264-T277 HydrophobicContact CB-CG2 4.26Å; I264-T277 HydrophobicContact CG2-CG2 3.89Å; E265-T277 WeakPolarHBondContact CA-OG1 3.37Å; E265-T277 HydrophobicContact CG-CG2 4.08Å; R273-T277 WeakPolarHBondContact O-CB 3.26Å; R273-T277 PolarHBondContact O-N 2.73Å; R273-T277 PolarHBondContact O-OG1 3.09Å; L274-T277 PolarHBondContact O-N 3.22Å; K275-T277 VanDerWaalsContact C-N 3.33Å; K275-T277 PolarHBondContact O-N 2.57Å; T277-Q279 PolarHBondContact O-N 2.89Å; T277-L280 PolarHBondContact O-N 2.88Å; T277-M281 HydrophobicContact CG2-CG 4.26Å; T277-M281 VanDerWaalsContact O-CG 3.26Å; T277-M281 WeakPolarHBondContact O-CG 3.46Å; T277-M281 PolarHBondContact O-N 3.19Å
278E98Very high97.5Very high136 Ų13668.9 Ų68.964%0.63636%0.361SS*.Hα-helixtrans-59.2-47.7178.2-176.8177-159.900111.3L274 K275 L280 M281 M282L274-E278 PolarHBondContact O-N 3.46Å; K275-E278 PolarHBondContact O-N 3.36Å; E278-L280 VanDerWaalsContact C-N 3.34Å; E278-L280 PolarHBondContact O-N 3.35Å; E278-M281 PolarHBondContact O-N 3.46Å; E278-M282 WeakPolarHBondContact O-CB 3.41Å; E278-M282 PolarHBondContact O-N 2.78Å
279Q98.2Very high97.4Very high92 Ų9271.9 Ų71.943%0.4338%0.38SS..Hα-helixtrans-56-46.6175.3-74.4176-21.900112.2K275 T277 A283K275-Q279 WeakPolarHBondContact O-CB 3.32Å; K275-Q279 VanDerWaalsContact O-CG 3.25Å; K275-Q279 WeakPolarHBondContact O-CG 3.32Å; K275-Q279 PolarHBondContact O-N 3.18Å; T277-Q279 PolarHBondContact O-N 2.89Å; Q279-A283 WeakPolarHBondContact O-CB 3.47Å; Q279-A283 PolarHBondContact O-N 2.95Å
280L98.5Very high97.5Very high1 Ų172.1 Ų72.11%0.00538%0.38CS..Hα-helixtrans-64.6-45.6179.4-174.5150.9000111.8I264 F268 K276 T277 E278 A283 A284 L303 A306 Y307 M310I264-L280 HydrophobicContact CD1-CD2 4.28Å; I264-L280 HydrophobicContact CG2-CD1 4.33Å; I264-L280 HydrophobicContact CG2-CD2 3.85Å; I264-L280 HydrophobicContact CG2-CG 4.48Å; F268-L280 HydrophobicContact CE2-CB 4.3Å; F268-L280 HydrophobicContact CE2-CD1 4.07Å; F268-L280 HydrophobicContact CZ-CB 4.13Å; F268-L280 HydrophobicContact CZ-CD1 3.61Å; K276-L280 WeakPolarHBondContact O-CB 3.4Å; K276-L280 PolarHBondContact O-N 2.96Å; T277-L280 PolarHBondContact O-N 2.88Å; E278-L280 VanDerWaalsContact C-N 3.34Å; E278-L280 PolarHBondContact O-N 3.35Å; L280-A283 PolarHBondContact O-N 3.37Å; L280-A284 WeakPolarHBondContact O-CB 3.32Å; L280-A284 PolarHBondContact O-N 3.3Å; L280-L303 HydrophobicContact CD2-CD2 3.31Å; L280-A306 HydrophobicContact CG-CB 4.4Å; L280-Y307 HydrophobicContact CD1-CD2 3.66Å; L280-Y307 HydrophobicContact CD1-CG 4.18Å; L280-M310 HydrophobicContact CB-SD 3.91Å; L280-M310 HydrophobicContact CD1-SD 4.1Å; L280-M310 HydrophobicContact CG-SD 4.35Å
281M98.3Very high97.6Very high6 Ų672.9 Ų72.93%0.0338%0.379CS..Hα-helixtrans-65.6-41.5-178.3-66.5-57.5-7900111.5C260 I264 T277 E278 A284 D285 V286 P288 L303C260-M281 VanDerWaalsContact SG-CE 3.55Å; I264-M281 HydrophobicContact CB-SD 4.47Å; I264-M281 HydrophobicContact CG1-SD 3.87Å; I264-M281 HydrophobicContact CG2-SD 4.49Å; T277-M281 HydrophobicContact CG2-CG 4.26Å; T277-M281 VanDerWaalsContact O-CG 3.26Å; T277-M281 WeakPolarHBondContact O-CG 3.46Å; T277-M281 PolarHBondContact O-N 3.19Å; E278-M281 PolarHBondContact O-N 3.46Å; M281-A284 PolarHBondContact O-N 3.4Å; M281-D285 PolarHBondContact O-N 2.71Å; M281-D285 VanDerWaalsContact O-N 3.15Å; M281-V286 HydrophobicContact CE-CB 4.01Å; M281-V286 HydrophobicContact CE-CG1 3.74Å; M281-V286 WeakPolarHBondContact CE-O 3.44Å; M281-V286 PolarHBondContact O-N 2.82Å; M281-V286 VanDerWaalsContact O-N 3.1Å; M281-P288 HydrophobicContact CB-CG 4.37Å; M281-P288 HydrophobicContact CE-CB 4.36Å; M281-L303 HydrophobicContact SD-CD2 3.83Å
282M98.2Very high97.7Very high161 Ų16167.7 Ų67.779%0.79334%0.343SS*.Hα-helixtrans-64.8-48.6175.2-172.8-178.5-175.800111.4E278 A284 D285E278-M282 WeakPolarHBondContact O-CB 3.41Å; E278-M282 PolarHBondContact O-N 2.78Å; M282-A284 VanDerWaalsContact C-N 3.25Å; M282-A284 PolarHBondContact O-N 2.84Å; M282-D285 PolarHBondContact O-N 2.57Å; M282-D285 VanDerWaalsContact O-N 3.08Å
283A98.2Very high97.8Very high77 Ų7766 Ų6664%0.63634%0.335SS*.Hα-helixtrans-64.9-28.9179.300000113.2Q279 L280 D285 A306Q279-A283 WeakPolarHBondContact O-CB 3.47Å; Q279-A283 PolarHBondContact O-N 2.95Å; L280-A283 PolarHBondContact O-N 3.37Å; A283-D285 VanDerWaalsContact C-N 3.34Å; A283-A306 HydrophobicContact CB-CB 4.08Å
284A98.3Very high97.9Very high1 Ų167.6 Ų67.61%0.00835%0.345CS..THydrogen-bonded Turntrans-83.6-9.717600000113.7L280 M281 M282 V286 N302 L303 A306L280-A284 WeakPolarHBondContact O-CB 3.32Å; L280-A284 PolarHBondContact O-N 3.3Å; M281-A284 PolarHBondContact O-N 3.4Å; M282-A284 VanDerWaalsContact C-N 3.25Å; M282-A284 PolarHBondContact O-N 2.84Å; A284-V286 HydrophobicContact CB-CG2 3.92Å; A284-N302 HydrophobicContact CB-CB 4.04Å; A284-N302 WeakPolarHBondContact O-CB 3.27Å; A284-N302 PolarHBondContact O-ND2 3.09Å; A284-L303 HydrophobicContact CB-CD2 3.68Å; A284-L303 HydrophobicContact CB-CG 4.12Å; A284-A306 HydrophobicContact CB-CB 4.18Å
285D98Very high98Very high138 Ų13861 Ų6174%0.73831%0.311SS*.THydrogen-bonded Turntrans51.853.7-171.6-169.934.4000111.6M281 M282 A283M281-D285 PolarHBondContact O-N 2.71Å; M281-D285 VanDerWaalsContact O-N 3.15Å; M282-D285 PolarHBondContact O-N 2.57Å; M282-D285 VanDerWaalsContact O-N 3.08Å; A283-D285 VanDerWaalsContact C-N 3.34Å
286V97.9Very high98Very high7 Ų755.8 Ų55.84%0.04229%0.291CS..  trans-123.3125.3179.8-179.10000110.1M281 A284 P288 L290 L295 H299 L303M281-V286 HydrophobicContact CE-CB 4.01Å; M281-V286 HydrophobicContact CE-CG1 3.74Å; M281-V286 WeakPolarHBondContact CE-O 3.44Å; M281-V286 PolarHBondContact O-N 2.82Å; M281-V286 VanDerWaalsContact O-N 3.1Å; A284-V286 HydrophobicContact CB-CG2 3.92Å; V286-P288 WeakPolarHBondContact O-CD 3.49Å; V286-L290 HydrophobicContact CG1-CD1 4.36Å; V286-L295 HydrophobicContact CG1-CD2 3.52Å; V286-H299 HydrophobicContact CG2-CB 3.92Å; V286-L303 HydrophobicContact CB-CD2 4.39Å; V286-L303 HydrophobicContact CG2-CD2 4.12Å; V286-L303 HydrophobicContact CG2-CG 4.08Å
287E97.6Very high98Very high113 Ų11356 Ų5653%0.52829%0.293SS..  trans-60.4122.3175.1175.4179.9-142.100111.2T289 L290E287-T289 VanDerWaalsContact C-N 3.26Å; E287-T289 VanDerWaalsContact CD-OG1 3.28Å; E287-T289 VanDerWaalsContact CG-OG1 3.25Å; E287-T289 WeakPolarHBondContact CG-OG1 3.42Å; E287-T289 PolarHBondContact O-N 3.22Å; E287-T289 PolarHBondContact OE1-OG1 3.35Å; E287-L290 HydrophobicContact CB-CD1 4.08Å; E287-L290 HydrophobicContact CB-CG 3.93Å; E287-L290 HydrophobicContact CG-CG 4.28Å; E287-L290 PolarHBondContact O-N 2.99Å; E287-L290 WeakPolarHBondContact OE2-CD2 3.38Å
288P97Very high98Very high63 Ų6358.2 Ų58.241%0.40931%0.308SS..THydrogen-bonded Turntrans-60.4-30-175.1-27.836.2000115.5Y259 C261 M281 V286Y259-P288 WeakPolarHBondContact CB-O 3.32Å; C261-P288 HydrophobicContact CB-CB 4.05Å; C261-P288 PolarHBondContact N-O 3.38Å; C261-P288 PolarHBondContact SG-O 3.18Å; C261-P288 VanDerWaalsContact SG-O 3.4Å; M281-P288 HydrophobicContact CB-CG 4.37Å; M281-P288 HydrophobicContact CE-CB 4.36Å; V286-P288 WeakPolarHBondContact O-CD 3.49Å
289T97.4Very high98Very high64 Ų6454 Ų5439%0.39329%0.288SS..THydrogen-bonded Turntrans-85.8-5.1-173.955.90000113.3Y259 E287 R291Y259-T289 WeakPolarHBondContact CD1-O 3.39Å; Y259-T289 HydrophobicContact CD2-CG2 4.25Å; Y259-T289 WeakPolarHBondContact CE1-O 3.43Å; Y259-T289 HydrophobicContact CE2-CG2 4.21Å; E287-T289 VanDerWaalsContact C-N 3.26Å; E287-T289 VanDerWaalsContact CD-OG1 3.28Å; E287-T289 VanDerWaalsContact CG-OG1 3.25Å; E287-T289 WeakPolarHBondContact CG-OG1 3.42Å; E287-T289 PolarHBondContact O-N 3.22Å; E287-T289 PolarHBondContact OE1-OG1 3.35Å; T289-R291 PolarHBondContact O-N 3.07Å
290L97.9Very high98Very high28 Ų2849.6 Ų49.615%0.14727%0.268CS..  trans-60.7138.1172.7-68.9176.1000110.6C260 V286 E287 Q294 L295C260-L290 VanDerWaalsContact CB-O 3.23Å; C260-L290 WeakPolarHBondContact CB-O 3.32Å; C260-L290 PolarHBondContact N-O 2.72Å; C260-L290 PolarHBondContact SG-O 3Å; V286-L290 HydrophobicContact CG1-CD1 4.36Å; E287-L290 HydrophobicContact CB-CD1 4.08Å; E287-L290 HydrophobicContact CB-CG 3.93Å; E287-L290 HydrophobicContact CG-CG 4.28Å; E287-L290 PolarHBondContact O-N 2.99Å; E287-L290 WeakPolarHBondContact OE2-CD2 3.38Å; L290-Q294 HydrophobicContact CD2-CB 4.2Å; L290-L295 HydrophobicContact CB-CD2 4.07Å; L290-L295 HydrophobicContact CD1-CD2 3.86Å
291R97.4Very high98Very high105 Ų10554.9 Ų54.940%0.39629%0.288SS..  trans-74.9151.6169.6-63.5179.4175.5-90.6-0.6109.7R257 T289 I293 Q294R257-R291 VanDerWaalsContact C-NH1 3.26Å; R257-R291 PolarHBondContact O-NH1 2.81Å; T289-R291 PolarHBondContact O-N 3.07Å; R291-I293 HydrophobicContact CB-CG1 4.49Å; R291-I293 PolarHBondContact O-N 3.01Å; R291-Q294 HydrophobicContact CB-CG 4.4Å; R291-Q294 VanDerWaalsContact CB-OE1 3.26Å; R291-Q294 WeakPolarHBondContact O-CB 3.42Å; R291-Q294 PolarHBondContact O-N 2.67Å
292P97.8Very high98.1Very high1 Ų156.9 Ų56.91%0.00630%0.298CS..G310 helixtrans-50-37.3179.9-3337.6000115.1V252 F253 K258 Q294 L295V252-P292 HydrophobicContact CG1-CB 3.96Å; V252-P292 HydrophobicContact CG1-CG 4.3Å; V252-P292 WeakPolarHBondContact O-CG 3.47Å; F253-P292 HydrophobicContact CD1-CB 3.74Å; F253-P292 HydrophobicContact CE1-CB 3.78Å; F253-P292 HydrophobicContact CG-CB 4.34Å; F253-P292 HydrophobicContact CZ-CB 4.4Å; K258-P292 VanDerWaalsContact O-CD 3.24Å; K258-P292 WeakPolarHBondContact O-CD 3.37Å; P292-Q294 VanDerWaalsContact C-N 3.27Å; P292-Q294 PolarHBondContact O-N 3.43Å; P292-L295 PolarHBondContact O-N 3.26Å
293I97.8Very high98.1Very high39 Ų3949.2 Ų49.220%0.226%0.261CS..G310 helixtrans-71.3-20.1179.365.8171.2000113.4G189 R193 F253 R291G189-I293 WeakPolarHBondContact CA-O 3.42Å; G189-I293 PolarHBondContact N-O 3.01Å; R193-I293 HydrophobicContact CB-CB 4.25Å; R193-I293 HydrophobicContact CB-CG2 4.2Å; R193-I293 WeakPolarHBondContact CD-O 3.44Å; F253-I293 HydrophobicContact CE1-CG2 4.22Å; R291-I293 HydrophobicContact CB-CG1 4.49Å; R291-I293 PolarHBondContact O-N 3.01Å
294Q98Very high98.1Very high90 Ų9045.6 Ų45.642%0.42123%0.231SC..G310 helixtrans-84.2-15.1179-63.7171.3-70.100112T188 L290 R291 P292 S296T188-Q294 WeakPolarHBondContact CG2-O 3.38Å; L290-Q294 HydrophobicContact CD2-CB 4.2Å; R291-Q294 HydrophobicContact CB-CG 4.4Å; R291-Q294 VanDerWaalsContact CB-OE1 3.26Å; R291-Q294 WeakPolarHBondContact O-CB 3.42Å; R291-Q294 PolarHBondContact O-N 2.67Å; P292-Q294 VanDerWaalsContact C-N 3.27Å; P292-Q294 PolarHBondContact O-N 3.43Å; Q294-S296 PolarHBondContact O-N 3.28Å
295L98.3Very high98.2Very high0 Ų048.3 Ų48.30%025%0.245CC..  trans-68.7123.2178.1-64.4175.3000111.4R193 V252 C260 V286 L290 P292 H299 F300 L303R193-L295 PolarHBondContact NE-O 2.86Å; R193-L295 VanDerWaalsContact NE-O 3.13Å; R193-L295 PolarHBondContact NH2-O 3.07Å; V252-L295 HydrophobicContact CG1-CD1 3.57Å; C260-L295 HydrophobicContact CB-CD1 3.75Å; C260-L295 HydrophobicContact CB-CG 4.43Å; V286-L295 HydrophobicContact CG1-CD2 3.52Å; L290-L295 HydrophobicContact CB-CD2 4.07Å; L290-L295 HydrophobicContact CD1-CD2 3.86Å; P292-L295 PolarHBondContact O-N 3.26Å; L295-H299 HydrophobicContact CB-CB 4.26Å; L295-H299 HydrophobicContact CD2-CB 3.93Å; L295-F300 HydrophobicContact CB-CD2 4.18Å; L295-F300 HydrophobicContact CB-CE2 3.63Å; L295-F300 HydrophobicContact CB-CZ 4.13Å; L295-F300 HydrophobicContact CD1-CE1 4.48Å; L295-F300 HydrophobicContact CD1-CE2 4.35Å; L295-F300 HydrophobicContact CD1-CZ 4.02Å; L295-L303 HydrophobicContact CD1-CD1 4.34Å
296S98.3Very high98.2Very high23 Ų2342.2 Ų42.216%0.16121%0.214CC..  trans-75.9172.217672.10000111Q294 S298 H299 F300Q294-S296 PolarHBondContact O-N 3.28Å; S296-S298 VanDerWaalsContact C-N 3.29Å; S296-S298 PolarHBondContact O-N 3.17Å; S296-S298 PolarHBondContact OG-N 2.87Å; S296-S298 PolarHBondContact OG-OG 3.03Å; S296-H299 PolarHBondContact N-ND1 3.12Å; S296-H299 PolarHBondContact O-N 2.91Å; S296-H299 PolarHBondContact OG-CD2 3.37Å; S296-H299 VanDerWaalsContact OG-CG 3.22Å; S296-H299 PolarHBondContact OG-N 3.32Å; S296-H299 VanDerWaalsContact OG-N 3.13Å; S296-H299 PolarHBondContact OG-ND1 3.37Å; S296-F300 WeakPolarHBondContact O-CD2 3.44Å; S296-F300 PolarHBondContact O-N 3.11Å
297M98.1Very high98.2Very high23 Ų2341.9 Ų41.911%0.11321%0.212CC..Hα-helixtrans-66.4-33.1174.6-165.164.673.800112.1I198 Q201 H202 K237 I238 F300 R301I198-M297 HydrophobicContact CG2-CE 4.3Å; I198-M297 HydrophobicContact CG2-SD 3.88Å; Q201-M297 HydrophobicContact CB-CE 3.71Å; H202-M297 HydrophobicContact CB-CE 3.94Å; H202-M297 HydrophobicContact CB-SD 3.61Å; K237-M297 HydrophobicContact CB-CG 3.55Å; K237-M297 HydrophobicContact CB-SD 4.44Å; K237-M297 HydrophobicContact CD-CB 4.39Å; K237-M297 HydrophobicContact CD-CE 4.38Å; K237-M297 HydrophobicContact CD-CG 3.69Å; K237-M297 HydrophobicContact CG-CG 4.25Å; I238-M297 HydrophobicContact CD1-SD 3.91Å; I238-M297 HydrophobicContact CG1-SD 4.24Å; M297-F300 PolarHBondContact O-N 3.48Å; M297-R301 PolarHBondContact O-N 3.28Å
298S98.4Very high98.3Very high54 Ų5440.7 Ų40.738%0.37820%0.203SC..Hα-helixtrans-66.8-38.2175.353.80000111.6S296 F300 R301 N302S296-S298 VanDerWaalsContact C-N 3.29Å; S296-S298 PolarHBondContact O-N 3.17Å; S296-S298 PolarHBondContact OG-N 2.87Å; S296-S298 PolarHBondContact OG-OG 3.03Å; S298-F300 PolarHBondContact O-N 3.08Å; S298-R301 WeakPolarHBondContact O-CB 3.45Å; S298-R301 PolarHBondContact O-N 3.18Å; S298-N302 VanDerWaalsContact O-CG 3.23Å; S298-N302 PolarHBondContact O-N 3.22Å; S298-N302 PolarHBondContact O-OD1 3.12Å
299H98.7Very high98.3Very high47 Ų4744.5 Ų44.522%0.21821%0.213CC..Hα-helixtrans-60.2-47.7173.5-60164.9000110.9V286 L295 S296 R301 N302 L303V286-H299 HydrophobicContact CG2-CB 3.92Å; L295-H299 HydrophobicContact CB-CB 4.26Å; L295-H299 HydrophobicContact CD2-CB 3.93Å; S296-H299 PolarHBondContact N-ND1 3.12Å; S296-H299 PolarHBondContact O-N 2.91Å; S296-H299 PolarHBondContact OG-CD2 3.37Å; S296-H299 VanDerWaalsContact OG-CG 3.22Å; S296-H299 PolarHBondContact OG-N 3.32Å; S296-H299 VanDerWaalsContact OG-N 3.13Å; S296-H299 PolarHBondContact OG-ND1 3.37Å; H299-R301 VanDerWaalsContact C-N 3.34Å; H299-R301 PolarHBondContact O-N 3.48Å; H299-N302 PolarHBondContact O-N 3.07Å; H299-L303 WeakPolarHBondContact O-CB 3.45Å; H299-L303 VanDerWaalsContact O-CG 3.23Å; H299-L303 WeakPolarHBondContact O-CG 3.28Å; H299-L303 PolarHBondContact O-N 3.23Å
300F98.7Very high98.4Very high0 Ų042.7 Ų42.70%020%0.2CC..Hα-helixtrans-61.3-40.6175.9-80.8-71.7000112.7I198 I238 V249 V252 F253 L295 S296 M297 S298 N302 L303 C304I198-F300 HydrophobicContact CD1-CD2 3.64Å; I198-F300 HydrophobicContact CD1-CE2 3.5Å; I198-F300 VanDerWaalsContact CD1-CE2 3.5Å; I198-F300 HydrophobicContact CD1-CZ 4.4Å; I198-F300 HydrophobicContact CG1-CD2 3.86Å; I198-F300 HydrophobicContact CG1-CE2 3.59Å; I198-F300 HydrophobicContact CG1-CZ 4.02Å; I198-F300 HydrophobicContact CG2-CB 4.22Å; I198-F300 HydrophobicContact CG2-CD1 4.41Å; I198-F300 HydrophobicContact CG2-CD2 3.97Å; I198-F300 HydrophobicContact CG2-CE2 4.49Å; I198-F300 HydrophobicContact CG2-CG 3.94Å; I238-F300 HydrophobicContact CD1-CB 3.78Å; V249-F300 HydrophobicContact CB-CE1 4.34Å; V249-F300 HydrophobicContact CG1-CE1 4.44Å; V249-F300 HydrophobicContact CG2-CD1 3.73Å; V249-F300 HydrophobicContact CG2-CE1 3.89Å; V249-F300 HydrophobicContact CG2-CG 4.45Å; V252-F300 HydrophobicContact CB-CE1 3.99Å; V252-F300 HydrophobicContact CB-CZ 4.36Å; V252-F300 HydrophobicContact CG1-CE1 3.85Å; V252-F300 HydrophobicContact CG1-CZ 3.76Å; V252-F300 HydrophobicContact CG2-CE1 4.12Å; F253-F300 HydrophobicContact CD2-CZ 4.18Å; F253-F300 HydrophobicContact CE2-CE1 4.39Å; F253-F300 HydrophobicContact CE2-CE2 4.04Å; F253-F300 AromaticContact CE2-CZ 3.49Å; F253-F300 HydrophobicContact CE2-CZ 3.49Å; F253-F300 VanDerWaalsContact CE2-CZ 3.49Å; F253-F300 HydrophobicContact CZ-CE2 4.47Å; F253-F300 HydrophobicContact CZ-CZ 4.21Å; L295-F300 HydrophobicContact CB-CD2 4.18Å; L295-F300 HydrophobicContact CB-CE2 3.63Å; L295-F300 HydrophobicContact CB-CZ 4.13Å; L295-F300 HydrophobicContact CD1-CE1 4.48Å; L295-F300 HydrophobicContact CD1-CE2 4.35Å; L295-F300 HydrophobicContact CD1-CZ 4.02Å; S296-F300 WeakPolarHBondContact O-CD2 3.44Å; S296-F300 PolarHBondContact O-N 3.11Å; M297-F300 PolarHBondContact O-N 3.48Å; S298-F300 PolarHBondContact O-N 3.08Å; F300-N302 VanDerWaalsContact C-N 3.35Å; F300-N302 PolarHBondContact O-N 2.91Å; F300-L303 PolarHBondContact O-N 2.96Å; F300-C304 WeakPolarHBondContact O-CB 3.49Å; F300-C304 PolarHBondContact O-N 2.81Å; F300-C304 PolarHBondContact O-SG 2.85Å
301R98.8Very high98.3Very high113 Ų11341.9 Ų41.943%0.42620%0.197SC..Hα-helixtrans-56.8-48.9173.9-177.9-176.361.2-172.9-1.7111.4K237 I238 M297 S298 H299 C304 N305K237-R301 WeakPolarHBondContact O-CD 3.4Å; I238-R301 HydrophobicContact CG1-CB 3.98Å; M297-R301 PolarHBondContact O-N 3.28Å; S298-R301 WeakPolarHBondContact O-CB 3.45Å; S298-R301 PolarHBondContact O-N 3.18Å; H299-R301 VanDerWaalsContact C-N 3.34Å; H299-R301 PolarHBondContact O-N 3.48Å; R301-C304 PolarHBondContact O-N 3.02Å; R301-N305 VanDerWaalsContact O-CG 3.27Å; R301-N305 PolarHBondContact O-N 3.39Å
302N98.8Very high98.3Very high47 Ų4741.5 Ų41.525%0.25120%0.202SC..Hα-helixtrans-66.3-43.8-178.2-64.71.2000111.5A284 S298 H299 F300 C304 N305 A306A284-N302 HydrophobicContact CB-CB 4.04Å; A284-N302 WeakPolarHBondContact O-CB 3.27Å; A284-N302 PolarHBondContact O-ND2 3.09Å; S298-N302 VanDerWaalsContact O-CG 3.23Å; S298-N302 PolarHBondContact O-N 3.22Å; S298-N302 PolarHBondContact O-OD1 3.12Å; H299-N302 PolarHBondContact O-N 3.07Å; F300-N302 VanDerWaalsContact C-N 3.35Å; F300-N302 PolarHBondContact O-N 2.91Å; N302-C304 VanDerWaalsContact C-N 3.31Å; N302-C304 PolarHBondContact O-N 2.82Å; N302-N305 PolarHBondContact O-N 3.03Å; N302-A306 WeakPolarHBondContact O-CB 3.29Å; N302-A306 PolarHBondContact O-N 3.44Å
303L98.8Very high98.3Very high1 Ų149.4 Ų49.41%0.00524%0.239CC..Hα-helixtrans-58.2-43.2174.3-68167.6000111.4I248 I264 L280 M281 A284 V286 L295 H299 F300 Y307I248-L303 HydrophobicContact CG2-CB 4.24Å; I264-L303 HydrophobicContact CD1-CD2 4.31Å; L280-L303 HydrophobicContact CD2-CD2 3.31Å; M281-L303 HydrophobicContact SD-CD2 3.83Å; A284-L303 HydrophobicContact CB-CD2 3.68Å; A284-L303 HydrophobicContact CB-CG 4.12Å; V286-L303 HydrophobicContact CB-CD2 4.39Å; V286-L303 HydrophobicContact CG2-CD2 4.12Å; V286-L303 HydrophobicContact CG2-CG 4.08Å; L295-L303 HydrophobicContact CD1-CD1 4.34Å; H299-L303 WeakPolarHBondContact O-CB 3.45Å; H299-L303 VanDerWaalsContact O-CG 3.23Å; H299-L303 WeakPolarHBondContact O-CG 3.28Å; H299-L303 PolarHBondContact O-N 3.23Å; F300-L303 PolarHBondContact O-N 2.96Å; L303-Y307 VanDerWaalsContact O-CB 3.28Å; L303-Y307 WeakPolarHBondContact O-CB 3.37Å; L303-Y307 PolarHBondContact O-N 3.13Å
304C98.8Very high98.2Very high0 Ų049.6 Ų49.60%024%0.241CC..Hα-helixtrans-64.4-43.9177-64.50000112.4I238 Q240 L244 I248 F300 R301 N302 R308I238-C304 HydrophobicContact CG2-CB 3.91Å; Q240-C304 HydrophobicContact CB-CB 4.44Å; Q240-C304 HydrophobicContact CG-CB 3.97Å; L244-C304 HydrophobicContact CD2-CB 3.83Å; I248-C304 VanDerWaalsContact CD1-CA 3.45Å; I248-C304 HydrophobicContact CD1-CB 4.07Å; F300-C304 WeakPolarHBondContact O-CB 3.49Å; F300-C304 PolarHBondContact O-N 2.81Å; F300-C304 PolarHBondContact O-SG 2.85Å; R301-C304 PolarHBondContact O-N 3.02Å; N302-C304 VanDerWaalsContact C-N 3.31Å; N302-C304 PolarHBondContact O-N 2.82Å; C304-R308 VanDerWaalsContact O-CB 3.25Å; C304-R308 WeakPolarHBondContact O-CB 3.37Å; C304-R308 PolarHBondContact O-N 3.36Å
305N98.8Very high98Very high58 Ų5850 Ų5031%0.3125%0.251SS..Hα-helixtrans-66.4-42178.5-70.6-13.3000112.1Q240 R301 N302 R308 K309Q240-N305 PolarHBondContact NE2-OD1 3.45Å; R301-N305 VanDerWaalsContact O-CG 3.27Å; R301-N305 PolarHBondContact O-N 3.39Å; N302-N305 PolarHBondContact O-N 3.03Å; N305-R308 PolarHBondContact O-N 3.1Å; N305-K309 WeakPolarHBondContact O-CG 3.38Å; N305-K309 PolarHBondContact O-N 2.77Å
306A98.6Very high97.8Very high11 Ų1153.2 Ų53.29%0.09127%0.274CS..Hα-helixtrans-64.8-49.4177.100000111.2L280 A283 A284 N302 R308 K309 M310L280-A306 HydrophobicContact CG-CB 4.4Å; A283-A306 HydrophobicContact CB-CB 4.08Å; A284-A306 HydrophobicContact CB-CB 4.18Å; N302-A306 WeakPolarHBondContact O-CB 3.29Å; N302-A306 PolarHBondContact O-N 3.44Å; A306-R308 VanDerWaalsContact C-N 3.29Å; A306-R308 PolarHBondContact O-N 3.21Å; A306-K309 PolarHBondContact O-N 2.89Å; A306-M310 WeakPolarHBondContact O-CG 3.33Å; A306-M310 PolarHBondContact O-N 2.95Å
307Y98.7Very high97.7Very high0 Ų052.2 Ų52.20%027%0.267CS..Hα-helixtrans-61.5-38.1177.2-171.6-112.8000112.3L244 K247 I248 L267 F268 L280 L303 K309 M310 C311 L317 F318L244-Y307 HydrophobicContact CD1-CD1 4.46Å; L244-Y307 HydrophobicContact CD2-CD1 4.49Å; L244-Y307 HydrophobicContact CG-CD1 4.24Å; K247-Y307 HydrophobicContact CD-CE1 4.37Å; K247-Y307 PolarHBondContact NZ-OH 3.5Å; I248-Y307 HydrophobicContact CD1-CD1 3.7Å; I248-Y307 HydrophobicContact CD1-CG 3.86Å; I248-Y307 HydrophobicContact CG1-CD1 3.96Å; I248-Y307 HydrophobicContact CG1-CE1 4.49Å; I248-Y307 HydrophobicContact CG1-CG 4.26Å; L267-Y307 HydrophobicContact CB-CE2 3.9Å; L267-Y307 HydrophobicContact CD1-CD2 4.22Å; L267-Y307 HydrophobicContact CD1-CE2 4.15Å; L267-Y307 HydrophobicContact CG-CE2 4.44Å; F268-Y307 HydrophobicContact CE1-CD2 4.25Å; F268-Y307 AromaticContact CE1-CE2 3.97Å; F268-Y307 HydrophobicContact CE1-CE2 3.97Å; F268-Y307 HydrophobicContact CZ-CD2 4.15Å; F268-Y307 HydrophobicContact CZ-CE2 4.21Å; L280-Y307 HydrophobicContact CD1-CD2 3.66Å; L280-Y307 HydrophobicContact CD1-CG 4.18Å; L303-Y307 VanDerWaalsContact O-CB 3.28Å; L303-Y307 WeakPolarHBondContact O-CB 3.37Å; L303-Y307 PolarHBondContact O-N 3.13Å; Y307-K309 PolarHBondContact O-N 2.86Å; Y307-M310 PolarHBondContact O-N 3.22Å; Y307-C311 WeakPolarHBondContact CE1-SG 3.13Å; Y307-C311 PolarHBondContact O-N 2.97Å; Y307-C311 PolarHBondContact O-SG 3.35Å; Y307-L317 PolarHBondContact OH-O 2.86Å; Y307-F318 HydrophobicContact CE1-CD2 4.47Å
308R98.4Very high97.6Very high87 Ų8755.1 Ų55.133%0.32828%0.279SS..Hα-helixtrans-58.3-47.8177.317660.8-163.6-108.46.1111.4L244 C304 N305 A306 M310 C311 D312L244-R308 HydrophobicContact CD1-CB 3.85Å; L244-R308 HydrophobicContact CD1-CG 4.28Å; C304-R308 VanDerWaalsContact O-CB 3.25Å; C304-R308 WeakPolarHBondContact O-CB 3.37Å; C304-R308 PolarHBondContact O-N 3.36Å; N305-R308 PolarHBondContact O-N 3.1Å; A306-R308 VanDerWaalsContact C-N 3.29Å; A306-R308 PolarHBondContact O-N 3.21Å; R308-M310 VanDerWaalsContact C-N 3.32Å; R308-M310 PolarHBondContact O-N 3.09Å; R308-C311 WeakPolarHBondContact O-CB 3.46Å; R308-C311 PolarHBondContact O-N 3.05Å; R308-C311 VanDerWaalsContact O-N 3.1Å; R308-D312 IonicContact CZ-OD1 3.7Å; R308-D312 IonicContact NE-OD1 3.32Å; R308-D312 PolarHBondContact NE-OD1 3.26Å; R308-D312 IonicContact NE-OD2 3.91Å; R308-D312 PolarHBondContact NE-OD2 3.05Å; R308-D312 IonicContact NH2-OD1 2.73Å; R308-D312 PolarHBondContact NH2-OD1 3.15Å; R308-D312 VanDerWaalsContact O-CG 3.31Å; R308-D312 PolarHBondContact O-N 3.01Å
309K98.3Very high97.4Very high144 Ų14456.6 Ų56.663%0.62629%0.294SS*.Hα-helixtrans-58.2-44.3176.5-69.3178.1178.5-175.20111.7N305 A306 Y307 C311 D312 E313N305-K309 WeakPolarHBondContact O-CG 3.38Å; N305-K309 PolarHBondContact O-N 2.77Å; A306-K309 PolarHBondContact O-N 2.89Å; Y307-K309 PolarHBondContact O-N 2.86Å; K309-C311 VanDerWaalsContact C-N 3.3Å; K309-C311 PolarHBondContact O-N 2.93Å; K309-D312 PolarHBondContact O-N 2.86Å; K309-D312 VanDerWaalsContact O-N 3.13Å; K309-E313 PolarHBondContact O-N 2.86Å; K309-E313 VanDerWaalsContact O-N 3.12Å
310M98.2Very high97.3Very high25 Ų2556 Ų5612%0.12329%0.291CS..Hα-helixtrans-61.9-37.5176-62.2178.180.900112.2F268 K276 L280 A306 Y307 R308 E313 D314 L317F268-M310 HydrophobicContact CE1-CE 3.73Å; F268-M310 HydrophobicContact CE1-SD 4.17Å; F268-M310 HydrophobicContact CZ-CE 3.83Å; F268-M310 HydrophobicContact CZ-SD 3.92Å; K276-M310 HydrophobicContact CB-CE 3.8Å; K276-M310 HydrophobicContact CD-CE 4.24Å; K276-M310 HydrophobicContact CG-CE 3.8Å; L280-M310 HydrophobicContact CB-SD 3.91Å; L280-M310 HydrophobicContact CD1-SD 4.1Å; L280-M310 HydrophobicContact CG-SD 4.35Å; A306-M310 WeakPolarHBondContact O-CG 3.33Å; A306-M310 PolarHBondContact O-N 2.95Å; Y307-M310 PolarHBondContact O-N 3.22Å; R308-M310 VanDerWaalsContact C-N 3.32Å; R308-M310 PolarHBondContact O-N 3.09Å; M310-E313 PolarHBondContact O-N 3.33Å; M310-D314 PolarHBondContact O-N 3.24Å; M310-L317 HydrophobicContact CB-CD1 4Å
311C97.8Very high97.1Very high11 Ų1159.6 Ų59.67%0.07431%0.31CS..Hα-helixtrans-70.7-29.4174.5-69.80000113.4Y307 R308 K309 E313 D314 P315 F318Y307-C311 WeakPolarHBondContact CE1-SG 3.13Å; Y307-C311 PolarHBondContact O-N 2.97Å; Y307-C311 PolarHBondContact O-SG 3.35Å; R308-C311 WeakPolarHBondContact O-CB 3.46Å; R308-C311 PolarHBondContact O-N 3.05Å; R308-C311 VanDerWaalsContact O-N 3.1Å; K309-C311 VanDerWaalsContact C-N 3.3Å; K309-C311 PolarHBondContact O-N 2.93Å; C311-E313 VanDerWaalsContact C-N 3.3Å; C311-D314 CarbonylContact O-C 3.55Å; C311-D314 VanDerWaalsContact O-C 3.23Å; C311-P315 VanDerWaalsContact O-CA 3.27Å; C311-P315 WeakPolarHBondContact O-CA 3.39Å; C311-F318 HydrophobicContact CB-CB 4.47Å
312D96.9Very high96.9Very high97 Ų9756 Ų5652%0.51930%0.296SS..Hα-helixtrans-70-31.8174.8-63.4-36.3000110.7R308 K309R308-D312 IonicContact CZ-OD1 3.7Å; R308-D312 IonicContact NE-OD1 3.32Å; R308-D312 PolarHBondContact NE-OD1 3.26Å; R308-D312 IonicContact NE-OD2 3.91Å; R308-D312 PolarHBondContact NE-OD2 3.05Å; R308-D312 IonicContact NH2-OD1 2.73Å; R308-D312 PolarHBondContact NH2-OD1 3.15Å; R308-D312 VanDerWaalsContact O-CG 3.31Å; R308-D312 PolarHBondContact O-N 3.01Å; K309-D312 PolarHBondContact O-N 2.86Å; K309-D312 VanDerWaalsContact O-N 3.13Å
313E96.9Very high96.5Very high167 Ų16760.3 Ų60.378%0.7831%0.309SS*.Hα-helixtrans-78.7-39.7173.3-67.7170.7-166.900113K309 M310 C311K309-E313 PolarHBondContact O-N 2.86Å; K309-E313 VanDerWaalsContact O-N 3.12Å; M310-E313 PolarHBondContact O-N 3.33Å; C311-E313 VanDerWaalsContact C-N 3.3Å
314D95.6Very high96.2Very high44 Ų4464.1 Ų64.124%0.23533%0.327CS..  trans-130.589.9179178.33.5000110.4K276 M310 C311 S316 L317K276-D314 IonicContact NZ-OD2 2.77Å; K276-D314 PolarHBondContact NZ-OD2 3.3Å; M310-D314 PolarHBondContact O-N 3.24Å; C311-D314 CarbonylContact O-C 3.55Å; C311-D314 VanDerWaalsContact O-C 3.23Å; D314-S316 PolarHBondContact O-N 2.64Å; D314-S316 VanDerWaalsContact OD1-CB 3.31Å; D314-S316 WeakPolarHBondContact OD1-CB 3.26Å; D314-S316 PolarHBondContact OD1-N 3.16Å; D314-S316 VanDerWaalsContact OD1-N 3.16Å; D314-S316 PolarHBondContact OD1-OG 3.49Å; D314-L317 HydrophobicContact CB-CD1 3.96Å; D314-L317 HydrophobicContact CB-CG 3.99Å; D314-L317 WeakPolarHBondContact O-CB 3.46Å; D314-L317 WeakPolarHBondContact O-CG 3.36Å; D314-L317 PolarHBondContact O-N 3.15Å; D314-L317 VanDerWaalsContact O-N 3.11Å; D314-L317 WeakPolarHBondContact OD2-CG 3.44Å
315P93.6Very high95.9Very high98 Ų9865.9 Ų65.964%0.63634%0.335SS*.THydrogen-bonded Turntrans-59.3-21.8-178.5-27.836.3000114.4C311 L317 F318C311-P315 VanDerWaalsContact O-CA 3.27Å; C311-P315 WeakPolarHBondContact O-CA 3.39Å; P315-L317 PolarHBondContact O-N 2.87Å; P315-F318 PolarHBondContact O-N 3.12Å
316S95.1Very high95.5Very high68 Ų6866.9 Ų66.948%0.47634%0.34SS..Hα-helixtrans-65.9-26.3179.580.40000112.3D314 F318 A319 Y320D314-S316 PolarHBondContact O-N 2.64Å; D314-S316 VanDerWaalsContact OD1-CB 3.31Å; D314-S316 WeakPolarHBondContact OD1-CB 3.26Å; D314-S316 PolarHBondContact OD1-N 3.16Å; D314-S316 VanDerWaalsContact OD1-N 3.16Å; D314-S316 PolarHBondContact OD1-OG 3.49Å; S316-F318 VanDerWaalsContact C-N 3.28Å; S316-F318 PolarHBondContact O-N 3.13Å; S316-A319 PolarHBondContact O-N 3.3Å; S316-Y320 PolarHBondContact O-N 3.16Å
317L95.9Very high95.1Very high2 Ų273.5 Ų73.51%0.0136%0.363CS..Hα-helixtrans-60.4-37.3178.9-68.6-179.7000112.5K247 F268 K276 Y307 M310 D314 P315 A319 Y320K247-L317 PolarHBondContact NZ-O 3.19Å; F268-L317 HydrophobicContact CD1-CD2 3.9Å; F268-L317 HydrophobicContact CE1-CD1 4.21Å; F268-L317 HydrophobicContact CE1-CD2 4.39Å; K276-L317 HydrophobicContact CD-CD1 4.43Å; K276-L317 HydrophobicContact CD-CD2 4.2Å; Y307-L317 PolarHBondContact OH-O 2.86Å; M310-L317 HydrophobicContact CB-CD1 4Å; D314-L317 HydrophobicContact CB-CD1 3.96Å; D314-L317 HydrophobicContact CB-CG 3.99Å; D314-L317 WeakPolarHBondContact O-CB 3.46Å; D314-L317 WeakPolarHBondContact O-CG 3.36Å; D314-L317 PolarHBondContact O-N 3.15Å; D314-L317 VanDerWaalsContact O-N 3.11Å; D314-L317 WeakPolarHBondContact OD2-CG 3.44Å; P315-L317 PolarHBondContact O-N 2.87Å; L317-A319 VanDerWaalsContact C-N 3.34Å; L317-A319 PolarHBondContact O-N 3.21Å; L317-Y320 WeakPolarHBondContact O-CB 3.34Å; L317-Y320 PolarHBondContact O-N 3.38Å
318F96.3Very high94.6Very high84 Ų8479.6 Ų79.637%0.36839%0.391SS..Hα-helixtrans-69.7-34.6-179.6-170.8-106.8000111.9V243 L244 K247 Y307 C311 P315 S316V243-F318 HydrophobicContact CB-CZ 4.13Å; V243-F318 HydrophobicContact CG2-CE1 4.42Å; V243-F318 HydrophobicContact CG2-CZ 3.7Å; L244-F318 HydrophobicContact CB-CE2 4.07Å; L244-F318 HydrophobicContact CG-CE2 4.49Å; K247-F318 HydrophobicContact CD-CD2 4.3Å; K247-F318 HydrophobicContact CD-CE2 4.23Å; K247-F318 VanDerWaalsContact NZ-C 3.32Å; K247-F318 PolarHBondContact NZ-O 3.08Å; Y307-F318 HydrophobicContact CE1-CD2 4.47Å; C311-F318 HydrophobicContact CB-CB 4.47Å; P315-F318 PolarHBondContact O-N 3.12Å; S316-F318 VanDerWaalsContact C-N 3.28Å; S316-F318 PolarHBondContact O-N 3.13Å
319A94.8Very high94.1Very high85 Ų8579.9 Ų79.970%0.70240%0.395SS*.Hα-helixtrans-79.4-21.4175.600000113.3S316 L317 N321S316-A319 PolarHBondContact O-N 3.3Å; L317-A319 VanDerWaalsContact C-N 3.34Å; L317-A319 PolarHBondContact O-N 3.21Å; A319-N321 PolarHBondContact O-N 3.06Å
320Y96.5Very high93.3Very high35 Ų3581.8 Ų81.814%0.13740%0.403CS..  trans-56.7134.8-177.5172.4-99.9000112.9K247 I266 L267 F268 P269 R273 S316 L317 Y322 E325K247-Y320 PolarHBondContact NZ-O 2.88Å; I266-Y320 WeakPolarHBondContact O-CE1 3.48Å; L267-Y320 VanDerWaalsContact O-CD1 3.3Å; L267-Y320 WeakPolarHBondContact O-CD1 3.47Å; F268-Y320 VanDerWaalsContact C-CZ 3.47Å; F268-Y320 WeakPolarHBondContact O-CE1 3.39Å; F268-Y320 PolarHBondContact O-OH 3.01Å; F268-Y320 VanDerWaalsContact O-OH 3.06Å; P269-Y320 HydrophobicContact CB-CD2 4.45Å; P269-Y320 HydrophobicContact CB-CE2 4.08Å; P269-Y320 HydrophobicContact CG-CD2 3.84Å; P269-Y320 HydrophobicContact CG-CE2 3.96Å; P269-Y320 HydrophobicContact CG-CG 4.28Å; R273-Y320 PolarHBondContact NH2-OH 2.85Å; S316-Y320 PolarHBondContact O-N 3.16Å; L317-Y320 WeakPolarHBondContact O-CB 3.34Å; L317-Y320 PolarHBondContact O-N 3.38Å; Y320-Y322 WeakPolarHBondContact OH-CA 3.45Å; Y320-Y322 WeakPolarHBondContact OH-CB 3.47Å; Y320-E325 HydrophobicContact CE2-CB 4.36Å; Y320-E325 PolarHBondContact OH-OE2 3.44Å
321N94.7Very high92.4Very high75 Ų7589.2 Ų89.240%0.40144%0.435SS..  trans-135.6107.6177.9-178.2-14.5000110.2A319 R323 E324A319-N321 PolarHBondContact O-N 3.06Å; N321-R323 PolarHBondContact O-N 3.42Å; N321-R323 WeakPolarHBondContact OD1-CB 3.23Å; N321-R323 PolarHBondContact OD1-N 2.76Å; N321-E324 HydrophobicContact CB-CG 4.35Å; N321-E324 PolarHBondContact O-N 2.85Å
322Y92.9Very high91Very high36 Ų3694.3 Ų94.314%0.14146%0.461CS..Hα-helixtrans-56.6-25.2-177.983.8-81.3000114.5Q254 I266 Y320 L326Q254-Y322 PolarHBondContact NE2-OH 3.37Å; Q254-Y322 PolarHBondContact OE1-OH 2.87Å; I266-Y322 HydrophobicContact CB-CD1 3.84Å; I266-Y322 HydrophobicContact CB-CD2 4.34Å; I266-Y322 HydrophobicContact CB-CE1 4.36Å; I266-Y322 HydrophobicContact CB-CG 3.85Å; I266-Y322 HydrophobicContact CD1-CD1 4.13Å; I266-Y322 HydrophobicContact CD1-CE1 3.88Å; I266-Y322 HydrophobicContact CG1-CD1 4.45Å; I266-Y322 HydrophobicContact CG2-CD1 4.49Å; I266-Y322 HydrophobicContact CG2-CD2 4.17Å; I266-Y322 HydrophobicContact CG2-CE2 4.5Å; I266-Y322 HydrophobicContact CG2-CG 4.19Å; Y320-Y322 WeakPolarHBondContact OH-CA 3.45Å; Y320-Y322 WeakPolarHBondContact OH-CB 3.47Å; Y322-L326 HydrophobicContact CD2-CD1 3.68Å; Y322-L326 HydrophobicContact CD2-CG 4.49Å; Y322-L326 HydrophobicContact CE2-CD1 3.84Å; Y322-L326 VanDerWaalsContact O-CG 3.31Å; Y322-L326 WeakPolarHBondContact O-CG 3.35Å; Y322-L326 PolarHBondContact O-N 3.24Å
323R91.6Very high89Confident138 Ų13894.8 Ų94.852%0.52147%0.469SS..Hα-helixtrans-70.9-33.2178.6-63.1-175-178.6165.10.5112.3N321 R327N321-R323 PolarHBondContact O-N 3.42Å; N321-R323 WeakPolarHBondContact OD1-CB 3.23Å; N321-R323 PolarHBondContact OD1-N 2.76Å; R323-R327 WeakPolarHBondContact O-CB 3.45Å; R323-R327 VanDerWaalsContact O-CG 3.27Å; R323-R327 WeakPolarHBondContact O-CG 3.3Å; R323-R327 PolarHBondContact O-N 3.24Å
324E92Very high86.9Confident82 Ų8296.4 Ų96.438%0.38347%0.473SS..Hα-helixtrans-71.2-41.2176.9-66.1-53.2133.300110.7N321 L326 R327 Q328N321-E324 HydrophobicContact CB-CG 4.35Å; N321-E324 PolarHBondContact O-N 2.85Å; E324-L326 PolarHBondContact O-N 3.09Å; E324-R327 WeakPolarHBondContact O-CB 3.21Å; E324-R327 PolarHBondContact O-N 2.82Å; E324-R327 VanDerWaalsContact O-N 3.17Å; E324-R327 IonicContact OE1-CZ 2.77Å; E324-R327 IonicContact OE1-NH1 3.85Å; E324-R327 PolarHBondContact OE1-NH1 3.19Å; E324-R327 IonicContact OE2-NH1 3.93Å; E324-Q328 WeakPolarHBondContact O-CG 3.36Å; E324-Q328 PolarHBondContact O-N 3.4Å
325E92.4Very high84.4Confident36 Ų36101.2 Ų101.217%0.16850%0.499CS..Hα-helixtrans-58.1-47.3172-175.9-178.4-141.200111.4E270 R273 Y320 R327 Q328 K329E270-E325 WeakPolarHBondContact CB-OE1 3.14Å; E270-E325 PolarHBondContact N-OE1 3.43Å; R273-E325 IonicContact NH2-OE2 2.81Å; R273-E325 PolarHBondContact NH2-OE2 2.63Å; Y320-E325 HydrophobicContact CE2-CB 4.36Å; Y320-E325 PolarHBondContact OH-OE2 3.44Å; E325-R327 VanDerWaalsContact C-N 3.31Å; E325-R327 PolarHBondContact O-N 3.43Å; E325-Q328 PolarHBondContact O-N 2.98Å; E325-K329 PolarHBondContact O-N 3.09Å
326L89.7Confident82Confident80 Ų80103.3 Ų103.342%0.41951%0.51SS..Hα-helixtrans-61.5-36.7176-73.5173.8000112.9Y322 E324 K330Y322-L326 HydrophobicContact CD2-CD1 3.68Å; Y322-L326 HydrophobicContact CD2-CG 4.49Å; Y322-L326 HydrophobicContact CE2-CD1 3.84Å; Y322-L326 VanDerWaalsContact O-CG 3.31Å; Y322-L326 WeakPolarHBondContact O-CG 3.35Å; Y322-L326 PolarHBondContact O-N 3.24Å; E324-L326 PolarHBondContact O-N 3.09Å; L326-K330 WeakPolarHBondContact O-CG 3.5Å; L326-K330 PolarHBondContact O-N 3.48Å
327R90.9Very high79.4Confident150 Ų150104.7 Ų104.757%0.56652%0.52SS*.Hα-helixtrans-67.3-42.1176.7-79.2169.5172.3-178.3-6.8111.6R323 E324 E325 K330 K331R323-R327 WeakPolarHBondContact O-CB 3.45Å; R323-R327 VanDerWaalsContact O-CG 3.27Å; R323-R327 WeakPolarHBondContact O-CG 3.3Å; R323-R327 PolarHBondContact O-N 3.24Å; E324-R327 WeakPolarHBondContact O-CB 3.21Å; E324-R327 PolarHBondContact O-N 2.82Å; E324-R327 VanDerWaalsContact O-N 3.17Å; E324-R327 IonicContact OE1-CZ 2.77Å; E324-R327 IonicContact OE1-NH1 3.85Å; E324-R327 PolarHBondContact OE1-NH1 3.19Å; E324-R327 IonicContact OE2-NH1 3.93Å; E325-R327 VanDerWaalsContact C-N 3.31Å; E325-R327 PolarHBondContact O-N 3.43Å; R327-K330 PolarHBondContact O-N 3.03Å; R327-K331 PolarHBondContact O-N 3.16Å
328Q88.9Confident76.5Confident128 Ų128113.3 Ų113.360%0.59856%0.559SS**Hα-helixtrans-63.6-43.7177.5-70.8172.51.300111.2E324 E325 K330 K331 L332E324-Q328 WeakPolarHBondContact O-CG 3.36Å; E324-Q328 PolarHBondContact O-N 3.4Å; E325-Q328 PolarHBondContact O-N 2.98Å; Q328-K330 VanDerWaalsContact C-N 3.32Å; Q328-K330 PolarHBondContact O-N 2.76Å; Q328-K331 PolarHBondContact O-N 3.04Å; Q328-L332 PolarHBondContact O-N 3.33Å
329K86.4Confident73.5Confident93 Ų93114.5 Ų114.540%0.40458%0.578SS.*Hα-helixtrans-59.7-38175.1-74.1-170.1174.2-162.80113.9E270 E325 K331 L332E270-K329 IonicContact OE1-NZ 3.36Å; E270-K329 PolarHBondContact OE1-NZ 2.97Å; E270-K329 IonicContact OE2-NZ 2.71Å; E270-K329 PolarHBondContact OE2-NZ 3.33Å; E325-K329 PolarHBondContact O-N 3.09Å; K329-K331 VanDerWaalsContact C-N 3.26Å; K329-K331 PolarHBondContact O-N 3.43Å; K329-L332 PolarHBondContact O-N 3.33Å
330K82.8Confident70.8Confident184 Ų184118.7 Ų118.780%0.858%0.583SS**Hα-helixtrans-70.1-21.2176.5-74.3-177.7178.5-171.90113.8L326 R327 Q328L326-K330 WeakPolarHBondContact O-CG 3.5Å; L326-K330 PolarHBondContact O-N 3.48Å; R327-K330 PolarHBondContact O-N 3.03Å; Q328-K330 VanDerWaalsContact C-N 3.32Å; Q328-K330 PolarHBondContact O-N 2.76Å
331K79.1Confident68.1Low181 Ų181125.6 Ų125.679%0.78762%0.617SS**Hα-helixtrans-86.6-19.9177.2-71.7-178.9177.4-174.90112.9R327 Q328 K329R327-K331 PolarHBondContact O-N 3.16Å; Q328-K331 PolarHBondContact O-N 3.04Å; K329-K331 VanDerWaalsContact C-N 3.26Å; K329-K331 PolarHBondContact O-N 3.43Å
332L69Low65.2Low118 Ų118129.7 Ų129.762%0.61864%0.637SS**SBendtrans-70.4130.7171.8-78143.5000108.9Q328 K329 K334Q328-L332 PolarHBondContact O-N 3.33Å; K329-L332 PolarHBondContact O-N 3.33Å; L332-K334 PolarHBondContact O-N 3.15Å
333P54Low62.5Low106 Ų106136 Ų13669%0.68867%0.673SS**  trans-57.4132.9174.222-29.4000108.8N335P333-N335 PolarHBondContact O-N 3.04Å
334K53.2Low60.1Low201 Ų201138 Ų13887%0.87469%0.689SS**  trans-60.6102.1170.6-80-175.8174.9-176.10107.1L332 T336L332-K334 PolarHBondContact O-N 3.15Å; K334-T336 PolarHBondContact O-N 3.11Å
335N41.8Very low57.6Low145 Ų145142.9 Ų142.978%0.77571%0.711SS**  trans-61.6109.1159.7-86-5000106.4P333 S337P333-N335 PolarHBondContact O-N 3.04Å; N335-S337 PolarHBondContact O-N 3.04Å; N335-S337 VanDerWaalsContact O-N 3.09Å
336T44.9Very low55Low143 Ų143149.2 Ų149.288%0.87775%0.746SS**  trans-6399.8163.631.10000108.3K334K334-T336 PolarHBondContact O-N 3.11Å
337S39.4Very low52.5Low96 Ų96154.5 Ų154.567%0.67177%0.769SS**  trans-157131.1149.951.50000110.7N335N335-S337 PolarHBondContact O-N 3.04Å; N335-S337 VanDerWaalsContact O-N 3.09Å
338H34.6Very low49.9Very low183 Ų183159.2 Ų159.285%0.84780%0.804SS**  trans77.767.9177.5-63.6-50.5000118.4
339S34.8Very low47.9Very low109 Ų109160.8 Ų160.876%0.76281%0.814SS**  -70.7116.4127.751.10000109.1
340E37.2Very low45.9Very low173 Ų173164.4 Ų164.481%0.80884%0.836SS**  trans163.1135.4135.7-90.1174.7-171.400109.6
341Q38.9Very low43.8Very low181 Ų181163.3 Ų163.385%0.84684%0.838SS**  trans79.996174.1-55.9177.7-7.100116.1
342I35Very low41.8Very low161 Ų161162.2 Ų162.283%0.82684%0.841SS**  -178.283.9118.2-75.6144.7000104.9
343D36.3Very low40.1Very low168 Ų168165 Ų16590%0.89886%0.855SS**  trans-124.178.6161.1-99.2-23.4000104.9
344E41.4Very low39.1Very low180 Ų180168.9 Ų168.984%0.84187%0.866SS**  trans-179.393.1160.5-106.3171.5-158.200107.8
345E38.8Very low38.1Very low185 Ų185166.6 Ų166.686%0.86487%0.866SS**  trans162.585.2147.7-93.8-178.9169.300109.3
346N36.7Very low37.8Very low169 Ų169168.3 Ų168.390%0.90487%0.872SS**  trans-164.455152.6-96.6-40.6000110.2
347Q38Very low37.2Very low190 Ų190170.4 Ų170.489%0.88887%0.872SS**  trans-129.293.8152.4-74.6-171.712.600107.5
348L35.6Very low37Very low250 Ų250177.2 Ų177.2100%1.30989%0.89SS**  trans-170.90142.4-97.4155.7000109.5

Retrieved 348 of 348 residues in 131.5 ms (Link to these results)

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