A0A061I8L6_CRIGR Loading...

SNF-related serine/threonine-protein kinase

May play a role in hematopoietic cell proliferation or differentiation. Potential mediator of neuronal apoptosis.

AlphaFold DB , UniProt , Accession A0A061I8L6, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Snrk, Length 747 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
1M35.5Very low42.2Very low250 Ų250138.1 Ų138.1100%1.23275%0.751SS**  092.30-73.2-61.7-164.700108.9
2A31.5Very low45.6Very low99 Ų99136.4 Ų136.482%0.81874%0.739SS**  trans-119.8120167.500000106.6F4A2-F4 PolarHBondContact O-N 3.33Å
3G33.4Very low48.6Very low78 Ų78126.5 Ų126.580%0.80469%0.687SS**  trans-85108.7-170.100000112.2K5G3-K5 VanDerWaalsContact C-N 3.28Å; G3-K5 PolarHBondContact O-N 3.14Å
4F33.8Very low51.5Low193 Ų193121.2 Ų121.285%0.84668%0.677SS**  trans-68.586164.4-91.8-83000110.1A2 R6A2-F4 PolarHBondContact O-N 3.33Å; F4-R6 VanDerWaalsContact C-N 3.33Å; F4-R6 PolarHBondContact O-N 2.61Å
5K39.4Very low54.1Low208 Ų208116.5 Ų116.590%0.90465%0.649SS**  trans-70.191.9159.1-78.1-169.3174.7-1720108.5G3G3-K5 VanDerWaalsContact C-N 3.28Å; G3-K5 PolarHBondContact O-N 3.14Å
6R39.3Very low56.7Low165 Ų165109.3 Ų109.362%0.62361%0.609SS**  trans-84.4131.6153.1-71.6-170.5179.6-154.6-0.6107.7F4 Y8F4-R6 VanDerWaalsContact C-N 3.33Å; F4-R6 PolarHBondContact O-N 2.61Å; R6-Y8 HydrophobicContact CB-CD2 3.93Å; R6-Y8 HydrophobicContact CB-CE2 4.17Å; R6-Y8 PolarHBondContact O-N 3.45Å
7G35.4Very low58.9Low80 Ų80104.9 Ų104.983%0.82558%0.584SS**  trans-66.4111.4159.300000107.7
8Y41.4Very low60.8Low126 Ų12699.9 Ų99.949%0.49456%0.556SS.*  trans-99.893.5174.2-106-91.6000108.2R6 G10 D17R6-Y8 HydrophobicContact CB-CD2 3.93Å; R6-Y8 HydrophobicContact CB-CE2 4.17Å; R6-Y8 PolarHBondContact O-N 3.45Å; Y8-G10 PolarHBondContact O-N 3.33Å; Y8-D17 WeakPolarHBondContact CE1-OD2 3.33Å
9D43.8Very low62.5Low138 Ų13897.3 Ų97.374%0.73854%0.541SS*.  trans-74.656.4159.5-74.4-3.1000108.9K11D9-K11 VanDerWaalsContact C-N 3.27Å; D9-K11 PolarHBondContact O-N 3.13Å
10G53.4Low64Low32 Ų3298.8 Ų98.833%0.3354%0.542SS..  trans-6978.1-173.100000111.4Y8 I12Y8-G10 PolarHBondContact O-N 3.33Å; G10-I12 PolarHBondContact O-N 3.29Å
11K77.6Confident65.4Low150 Ų15096.6 Ų96.665%0.65253%0.531SS*.  trans-76.288.2176.2-70.1179.8-178.7178.10108.4D9 L18D9-K11 VanDerWaalsContact C-N 3.27Å; D9-K11 PolarHBondContact O-N 3.13Å; K11-L18 VanDerWaalsContact O-CB 3.24Å; K11-L18 WeakPolarHBondContact O-CB 3.16Å; K11-L18 WeakPolarHBondContact O-CD1 3.35Å; K11-L18 WeakPolarHBondContact O-CG 3.19Å
12I82.6Confident67.9Low118 Ų11888.4 Ų88.461%0.60549%0.492SS*.  trans-61.4140.2177.7-61.5170.4000110.2G10 G14 Y16G10-I12 PolarHBondContact O-N 3.29Å; I12-G14 WeakPolarHBondContact CG2-O 3.34Å; I12-Y16 WeakPolarHBondContact CA-O 3.44Å
13A85Confident70.4Confident8 Ų885.2 Ų85.27%0.06647%0.468CS..BIsolated β-bridgetrans-129.4113.5167.200000108.6L15 Y16 L18 Y89A13-L15 PolarHBondContact O-N 3.49Å; A13-Y16 PolarHBondContact N-O 2.85Å; A13-Y16 WeakPolarHBondContact O-CB 3.38Å; A13-Y16 WeakPolarHBondContact O-CD2 3.39Å; A13-Y16 PolarHBondContact O-N 3.4Å; A13-L18 HydrophobicContact CB-CD1 4.06Å; A13-L18 HydrophobicContact CB-CG 4.36Å; A13-Y89 HydrophobicContact CB-CD1 3.79Å; A13-Y89 HydrophobicContact CB-CE1 3.66Å; A13-Y89 HydrophobicContact CB-CG 4.44Å
14G88.4Confident72.7Confident52 Ų5291.3 Ų91.354%0.53647%0.467SS..THydrogen-bonded Turntrans54.9-127.2-171.600000111.9I12 Y16I12-G14 WeakPolarHBondContact CG2-O 3.34Å; G14-Y16 VanDerWaalsContact C-N 3.3Å; G14-Y16 PolarHBondContact O-N 2.71Å
15L91.1Very high74.5Confident51 Ų5184.6 Ų84.627%0.26745%0.452SS..THydrogen-bonded Turntrans-88.620.8175.2-60.6-173.6000113.8A13 H35 V36 I307 H324A13-L15 PolarHBondContact O-N 3.49Å; L15-H35 WeakPolarHBondContact CB-NE2 3.35Å; L15-H35 CarbonylContact O-C 3.59Å; L15-H35 WeakPolarHBondContact O-CA 3.41Å; L15-H35 PolarHBondContact O-CD2 3.35Å; L15-V36 HydrophobicContact CB-CG2 4.17Å; L15-V36 HydrophobicContact CD2-CG2 4.34Å; L15-V36 WeakPolarHBondContact O-CG1 3.44Å; L15-V36 WeakPolarHBondContact O-CG2 3.47Å; L15-V36 PolarHBondContact O-N 2.69Å; L15-I307 HydrophobicContact CD1-CD1 4.35Å; L15-H324 HydrophobicContact CD1-CB 3.92Å; L15-H324 HydrophobicContact CG-CB 4.38Å
16Y95.1Very high75.7Confident0 Ų082.5 Ų82.50%045%0.445CS..EExtended strand (participates in β ladder)trans-121.4122.2-174.3-52-88.6000112.6I12 A13 G14 R34 H35 V42 E80 I82 I91 L331I12-Y16 WeakPolarHBondContact CA-O 3.44Å; A13-Y16 PolarHBondContact N-O 2.85Å; A13-Y16 WeakPolarHBondContact O-CB 3.38Å; A13-Y16 WeakPolarHBondContact O-CD2 3.39Å; A13-Y16 PolarHBondContact O-N 3.4Å; G14-Y16 VanDerWaalsContact C-N 3.3Å; G14-Y16 PolarHBondContact O-N 2.71Å; Y16-R34 WeakPolarHBondContact CA-O 3.5Å; Y16-H35 HydrophobicContact CD1-CB 3.79Å; Y16-H35 AromaticContact CD1-CD2 3.83Å; Y16-H35 HydrophobicContact CE1-CB 3.68Å; Y16-H35 AromaticContact CE1-CD2 3.38Å; Y16-H35 WeakPolarHBondContact CE1-CD2 3.32Å; Y16-H35 AromaticContact CE1-CG 3.76Å; Y16-H35 AromaticContact CZ-CD2 3.63Å; Y16-V42 HydrophobicContact CD1-CG2 3.72Å; Y16-V42 HydrophobicContact CE1-CG2 4.06Å; Y16-E80 WeakPolarHBondContact CE2-OE2 3.25Å; Y16-E80 PolarHBondContact OH-OE2 2.72Å; Y16-I82 HydrophobicContact CD2-CD1 3.97Å; Y16-I82 HydrophobicContact CE2-CD1 4.04Å; Y16-I91 HydrophobicContact CD1-CG2 4.16Å; Y16-I91 HydrophobicContact CD2-CD1 3.76Å; Y16-I91 HydrophobicContact CD2-CG1 4.16Å; Y16-I91 HydrophobicContact CE1-CG1 4.44Å; Y16-I91 HydrophobicContact CE1-CG2 3.54Å; Y16-I91 HydrophobicContact CE2-CD1 3.87Å; Y16-I91 HydrophobicContact CE2-CG1 3.73Å; Y16-I91 HydrophobicContact CE2-CG2 4.35Å; Y16-I91 HydrophobicContact CG-CD1 4.12Å; Y16-L331 HydrophobicContact CE1-CD1 4.37Å
17D94.6Very high77.3Confident35 Ų3579.2 Ų79.219%0.18744%0.436CS..EExtended strand (participates in β ladder)trans-83.1117.2170.5179.626.3000109.6Y8 A33 R34 V36Y8-D17 WeakPolarHBondContact CE1-OD2 3.33Å; D17-A33 CarbonylContact O-C 3.6Å; D17-A33 WeakPolarHBondContact O-CA 3.48Å; D17-A33 WeakPolarHBondContact O-CB 3.43Å; D17-R34 PolarHBondContact N-O 3.4Å; D17-R34 PolarHBondContact O-N 2.88Å; D17-V36 HydrophobicContact CB-CG1 4.3Å
18L93.6Very high79.7Confident15 Ų1576.2 Ų76.28%0.07940%0.403CS..EExtended strand (participates in β ladder)trans-91.3104.9-170.4-61.9-173.2000112.3K11 A13 K31 A33 V44 Y89K11-L18 VanDerWaalsContact O-CB 3.24Å; K11-L18 WeakPolarHBondContact O-CB 3.16Å; K11-L18 WeakPolarHBondContact O-CD1 3.35Å; K11-L18 WeakPolarHBondContact O-CG 3.19Å; A13-L18 HydrophobicContact CB-CD1 4.06Å; A13-L18 HydrophobicContact CB-CG 4.36Å; L18-K31 HydrophobicContact CB-CD 3.93Å; L18-K31 HydrophobicContact CD1-CD 4.16Å; L18-K31 HydrophobicContact CG-CD 4.49Å; L18-K31 PolarHBondContact O-NZ 3.19Å; L18-A33 HydrophobicContact CD2-CB 3.6Å; L18-V44 HydrophobicContact CD2-CB 4.16Å; L18-V44 HydrophobicContact CD2-CG1 4.19Å; L18-V44 HydrophobicContact CD2-CG2 4.01Å; L18-Y89 HydrophobicContact CD1-CE1 4.37Å
19D92.7Very high81.9Confident51 Ų5172.6 Ų72.627%0.27339%0.394SS..EExtended strand (participates in β ladder)trans-80.5-153177.5-163.9-13.1000110.9K31 L32D19-K31 PolarHBondContact O-NZ 3.26Å; D19-L32 WeakPolarHBondContact CA-O 3.48Å; D19-L32 HydrophobicContact CB-CB 4.22Å; D19-L32 HydrophobicContact CB-CD2 4.23Å; D19-L32 HydrophobicContact CB-CG 4.08Å; D19-L32 WeakPolarHBondContact CB-O 3.37Å; D19-L32 PolarHBondContact N-O 3.19Å
20K92.3Very high84.2Confident127 Ų12768.1 Ų68.155%0.55237%0.372SS*.EExtended strand (participates in β ladder)trans-52.6152.5-179.865165.8-174161.30113.9L32K20-L32 HydrophobicContact CG-CB 4.11Å; K20-L32 HydrophobicContact CG-CD2 4.15Å; K20-L32 PolarHBondContact O-N 3.3Å
21T93.1Very high86.1Confident53 Ų5368.7 Ų68.733%0.32537%0.365SS..EExtended strand (participates in β ladder)trans-68.9138.8166.7-54.70000109.5G23 R24 V29T21-G23 WeakPolarHBondContact CG2-O 3.25Å; T21-R24 HydrophobicContact CG2-CG 3.82Å; T21-V29 HydrophobicContact CG2-CG1 3.73Å
22L88.6Confident87Confident78 Ų7862.3 Ų62.341%0.40834%0.338SS..EExtended strand (participates in β ladder)trans-99.5-39.9171.7-64.8173.9000110.8V30 L32 L94L22-V30 HydrophobicContact CB-CG1 4.29Å; L22-V30 HydrophobicContact CD1-CG1 4.43Å; L22-V30 PolarHBondContact N-O 3.18Å; L22-L32 HydrophobicContact CD1-CB 4.09Å; L22-L32 HydrophobicContact CD2-CB 4.16Å; L22-L32 HydrophobicContact CG-CB 4.06Å; L22-L94 HydrophobicContact CD1-CD1 3.72Å
23G83.6Confident87.6Confident31 Ų3156.8 Ų56.832%0.3231%0.31SS..EExtended strand (participates in β ladder)trans-155.3162.1177.200000112.9T21 V30T21-G23 WeakPolarHBondContact CG2-O 3.25Å; G23-V30 PolarHBondContact N-O 3.27Å; G23-V30 VanDerWaalsContact N-O 3.13Å; G23-V30 PolarHBondContact O-N 3.2Å
24R81.3Confident88.1Confident206 Ų20661.2 Ų61.278%0.77733%0.325SS*.EExtended strand (participates in β ladder)trans-133.8119.8175.6-63.8-172.1178.7-166.72109.6T21 V29T21-R24 HydrophobicContact CG2-CG 3.82Å; R24-V29 HydrophobicContact CG-CG1 4.34Å; R24-V29 HydrophobicContact CG-CG2 4.45Å
25G71.6Confident88.4Confident52 Ų5258.8 Ų58.854%0.53630%0.3SS..  trans-102.4-176.2164.500000111.1A28G25-A28 PolarHBondContact N-O 3.47Å
26H66.5Low88.4Confident164 Ų16460.3 Ų60.376%0.75931%0.311SS*.SBendtrans-63.5-44.2-175.8-171.2-96.1000113.5
27F71.7Confident88.2Confident96 Ų9663.8 Ų63.842%0.42133%0.326SS..SBendtrans-110.7-5.5-178.1-56.5-75.2000114D48 K51 L52F27-D48 PolarHBondContact O-N 2.79Å; F27-K51 HydrophobicContact CD1-CB 4.26Å; F27-K51 WeakPolarHBondContact CE1-O 3.27Å; F27-L52 HydrophobicContact CB-CD2 3.97Å; F27-L52 HydrophobicContact CD1-CD2 3.76Å; F27-L52 HydrophobicContact CD2-CD2 4.47Å; F27-L52 HydrophobicContact CE1-CD2 4.32Å; F27-L52 HydrophobicContact CG-CD2 3.84Å
28A85Confident87.9Confident17 Ų1762.5 Ų62.514%0.1432%0.32CS..EExtended strand (participates in β ladder)trans-136.8143.7-168.200000112.6G25 K45 V46 I47G25-A28 PolarHBondContact N-O 3.47Å; A28-K45 HydrophobicContact CB-CG 4.21Å; A28-V46 CarbonylContact C-O 3.59Å; A28-V46 VanDerWaalsContact CA-O 3.28Å; A28-V46 WeakPolarHBondContact CA-O 3.31Å; A28-I47 HydrophobicContact CB-CG1 3.94Å
29V89.6Confident87.8Confident50 Ų5063.2 Ų63.230%0.30333%0.331SS..EExtended strand (participates in β ladder)trans-123.2118.4173.3179.40000108.3T21 R24 K31 V46T21-V29 HydrophobicContact CG2-CG1 3.73Å; R24-V29 HydrophobicContact CG-CG1 4.34Å; R24-V29 HydrophobicContact CG-CG2 4.45Å; V29-K31 HydrophobicContact CG1-CG 4.35Å; V29-V46 PolarHBondContact N-O 2.93Å; V29-V46 WeakPolarHBondContact O-CB 3.23Å; V29-V46 PolarHBondContact O-N 3.13Å
30V91.6Very high87.7Confident44 Ų4462.8 Ų62.827%0.26733%0.327SS..EExtended strand (participates in β ladder)trans-88.3123.9174.9-174.10000108.5L22 G23 A43 V44 K45L22-V30 HydrophobicContact CB-CG1 4.29Å; L22-V30 HydrophobicContact CD1-CG1 4.43Å; L22-V30 PolarHBondContact N-O 3.18Å; G23-V30 PolarHBondContact N-O 3.27Å; G23-V30 VanDerWaalsContact N-O 3.13Å; G23-V30 PolarHBondContact O-N 3.2Å; V30-A43 HydrophobicContact CG1-CB 4.32Å; V30-V44 CarbonylContact C-O 3.59Å; V30-V44 WeakPolarHBondContact CA-O 3.5Å; V30-K45 HydrophobicContact CG2-CB 4.36Å; V30-K45 HydrophobicContact CG2-CG 4.23Å
31K93.6Very high87.8Confident44 Ų4462.3 Ų62.319%0.19133%0.325CS..EExtended strand (participates in β ladder)trans-113.6152.8176.7-80-167.9156.3-128.90112.1L18 D19 V29 A43 V44L18-K31 HydrophobicContact CB-CD 3.93Å; L18-K31 HydrophobicContact CD1-CD 4.16Å; L18-K31 HydrophobicContact CG-CD 4.49Å; L18-K31 PolarHBondContact O-NZ 3.19Å; D19-K31 PolarHBondContact O-NZ 3.26Å; V29-K31 HydrophobicContact CG1-CG 4.35Å; K31-A43 CarbonylContact O-C 3.59Å; K31-A43 WeakPolarHBondContact O-CA 3.45Å; K31-V44 PolarHBondContact N-O 3.06Å; K31-V44 PolarHBondContact O-N 3Å
32L94.6Very high87.8Confident17 Ų1759.8 Ų59.89%0.08931%0.31CS..EExtended strand (participates in β ladder)trans-73.5137.6156.8175.861000107.8D19 K20 L22 K41 L94D19-L32 WeakPolarHBondContact CA-O 3.48Å; D19-L32 HydrophobicContact CB-CB 4.22Å; D19-L32 HydrophobicContact CB-CD2 4.23Å; D19-L32 HydrophobicContact CB-CG 4.08Å; D19-L32 WeakPolarHBondContact CB-O 3.37Å; D19-L32 PolarHBondContact N-O 3.19Å; K20-L32 HydrophobicContact CG-CB 4.11Å; K20-L32 HydrophobicContact CG-CD2 4.15Å; K20-L32 PolarHBondContact O-N 3.3Å; L22-L32 HydrophobicContact CD1-CB 4.09Å; L22-L32 HydrophobicContact CD2-CB 4.16Å; L22-L32 HydrophobicContact CG-CB 4.06Å; L32-K41 HydrophobicContact CD1-CB 4.19Å; L32-K41 HydrophobicContact CD1-CD 4.38Å; L32-K41 HydrophobicContact CD1-CG 4.49Å; L32-L94 HydrophobicContact CD1-CD1 4.49Å; L32-L94 HydrophobicContact CD1-CD2 3.44Å; L32-L94 VanDerWaalsContact CD1-CD2 3.44Å
33A95.8Very high88.2Confident2 Ų256.6 Ų56.62%0.01729%0.294CS..EExtended strand (participates in β ladder)trans-137.6165.1169.300000111.7D17 L18 K41 V42 V44D17-A33 CarbonylContact O-C 3.6Å; D17-A33 WeakPolarHBondContact O-CA 3.48Å; D17-A33 WeakPolarHBondContact O-CB 3.43Å; L18-A33 HydrophobicContact CD2-CB 3.6Å; A33-K41 WeakPolarHBondContact O-CA 3.39Å; A33-V42 HydrophobicContact CB-CG2 3.94Å; A33-V42 PolarHBondContact N-O 3.15Å; A33-V42 PolarHBondContact O-N 3.37Å; A33-V44 HydrophobicContact CB-CG2 3.5Å; A33-V44 VanDerWaalsContact CB-CG2 3.5Å
34R95.4Very high88.7Confident101 Ų10155.1 Ų55.138%0.38128%0.279SS..EExtended strand (participates in β ladder)trans-118.6127.4170-172.4-174.9-55.7-800.5110Y16 D17 V36 G39 E40Y16-R34 WeakPolarHBondContact CA-O 3.5Å; D17-R34 PolarHBondContact N-O 3.4Å; D17-R34 PolarHBondContact O-N 2.88Å; R34-V36 PolarHBondContact O-N 3.12Å; R34-G39 WeakPolarHBondContact CG-O 3.24Å; R34-G39 PolarHBondContact NH1-O 2.88Å; R34-E40 CarbonylContact C-O 3.58Å; R34-E40 VanDerWaalsContact CA-O 3.3Å; R34-E40 WeakPolarHBondContact CA-O 3.19Å
35H94.3Very high89.2Confident0 Ų045.9 Ų45.90%025%0.245CC..EExtended strand (participates in β ladder)trans-71.6121.5169.7-175.7-121.3000109.7L15 Y16 F37 T38 G39 E40 T328 L331L15-H35 WeakPolarHBondContact CB-NE2 3.35Å; L15-H35 CarbonylContact O-C 3.59Å; L15-H35 WeakPolarHBondContact O-CA 3.41Å; L15-H35 PolarHBondContact O-CD2 3.35Å; Y16-H35 HydrophobicContact CD1-CB 3.79Å; Y16-H35 AromaticContact CD1-CD2 3.83Å; Y16-H35 HydrophobicContact CE1-CB 3.68Å; Y16-H35 AromaticContact CE1-CD2 3.38Å; Y16-H35 WeakPolarHBondContact CE1-CD2 3.32Å; Y16-H35 AromaticContact CE1-CG 3.76Å; Y16-H35 AromaticContact CZ-CD2 3.63Å; H35-F37 VanDerWaalsContact C-N 3.33Å; H35-F37 PolarHBondContact O-N 3.25Å; H35-T38 WeakPolarHBondContact ND1-CG2 3.25Å; H35-T38 PolarHBondContact ND1-OG1 3.16Å; H35-G39 WeakPolarHBondContact O-CA 3.35Å; H35-G39 PolarHBondContact O-N 2.64Å; H35-E40 PolarHBondContact N-O 3.13Å; H35-T328 PolarHBondContact CE1-OG1 3.1Å; H35-L331 HydrophobicContact CB-CD1 3.81Å
36V91.9Very high90.2Very high84 Ų8444.6 Ų44.651%0.50923%0.226SC..THydrogen-bonded Turntrans-66.8-32.6-165.5-60.60000113.2L15 D17 R34L15-V36 HydrophobicContact CB-CG2 4.17Å; L15-V36 HydrophobicContact CD2-CG2 4.34Å; L15-V36 WeakPolarHBondContact O-CG1 3.44Å; L15-V36 WeakPolarHBondContact O-CG2 3.47Å; L15-V36 PolarHBondContact O-N 2.69Å; D17-V36 HydrophobicContact CB-CG1 4.3Å; R34-V36 PolarHBondContact O-N 3.12Å
37F90.1Very high91.2Very high72 Ų7237 Ų3732%0.31619%0.191SC..THydrogen-bonded Turntrans-81.1-44.1-177.5-177-106.8000113.1H35 R301 G305 I307 T328 L332H35-F37 VanDerWaalsContact C-N 3.33Å; H35-F37 PolarHBondContact O-N 3.25Å; F37-R301 WeakPolarHBondContact CZ-O 3.42Å; F37-G305 VanDerWaalsContact CE2-CA 3.48Å; F37-I307 HydrophobicContact CB-CD1 4.11Å; F37-I307 HydrophobicContact CD1-CD1 4.02Å; F37-I307 HydrophobicContact CD1-CG1 4.07Å; F37-I307 HydrophobicContact CD2-CD1 3.88Å; F37-I307 HydrophobicContact CD2-CG1 4.25Å; F37-I307 HydrophobicContact CE1-CD1 4.42Å; F37-I307 HydrophobicContact CE1-CG1 3.99Å; F37-I307 HydrophobicContact CE2-CD1 4.31Å; F37-I307 HydrophobicContact CE2-CG1 4.2Å; F37-I307 HydrophobicContact CG-CD1 3.72Å; F37-I307 HydrophobicContact CG-CG1 4.19Å; F37-I307 HydrophobicContact CZ-CG1 4.07Å; F37-T328 HydrophobicContact CD1-CG2 3.6Å; F37-T328 HydrophobicContact CE1-CG2 4.01Å; F37-L332 HydrophobicContact CE1-CD1 4.23Å
38T89.4Confident92Very high9 Ų933.8 Ų33.86%0.05518%0.178CC..THydrogen-bonded Turntrans-88.9-20.1-176.161.70000113.2H35 E40 T328 L331 L332 R335H35-T38 WeakPolarHBondContact ND1-CG2 3.25Å; H35-T38 PolarHBondContact ND1-OG1 3.16Å; T38-E40 PolarHBondContact O-N 3.35Å; T38-E40 PolarHBondContact OG1-N 3.48Å; T38-T328 HydrophobicContact CG2-CG2 4.19Å; T38-L331 HydrophobicContact CG2-CB 4.16Å; T38-L332 HydrophobicContact CG2-CD1 4.44Å; T38-L332 HydrophobicContact CG2-CD2 3.58Å; T38-L332 HydrophobicContact CG2-CG 3.58Å; T38-R335 PolarHBondContact O-NH1 2.7Å
39G90.7Very high92.1Very high30 Ų3035 Ų3531%0.30918%0.181SC..  trans77.3-3.8-173.500000114.3R34 H35R34-G39 WeakPolarHBondContact CG-O 3.24Å; R34-G39 PolarHBondContact NH1-O 2.88Å; H35-G39 WeakPolarHBondContact O-CA 3.35Å; H35-G39 PolarHBondContact O-N 2.64Å
40E90.8Very high91.9Very high41 Ų4137.1 Ų37.119%0.19219%0.193CC..  trans-69.1153.5-176-68.1-50.8137.200113R34 H35 T38 L331 R335R34-E40 CarbonylContact C-O 3.58Å; R34-E40 VanDerWaalsContact CA-O 3.3Å; R34-E40 WeakPolarHBondContact CA-O 3.19Å; H35-E40 PolarHBondContact N-O 3.13Å; T38-E40 PolarHBondContact O-N 3.35Å; T38-E40 PolarHBondContact OG1-N 3.48Å; E40-L331 HydrophobicContact CB-CD2 4.3Å; E40-R335 VanDerWaalsContact OE1-CD 3.26Å; E40-R335 WeakPolarHBondContact OE1-CD 3.15Å; E40-R335 WeakPolarHBondContact OE1-CG 3.24Å; E40-R335 IonicContact OE1-NE 2.68Å; E40-R335 IonicContact OE1-NH1 3.99Å
41K93.9Very high91.4Very high118 Ų11841.2 Ų41.251%0.51321%0.208SC..EExtended strand (participates in β ladder)trans-96.9134.8177.6-63.3-179.9-179.8175.80110.7L32 A33 L94L32-K41 HydrophobicContact CD1-CB 4.19Å; L32-K41 HydrophobicContact CD1-CD 4.38Å; L32-K41 HydrophobicContact CD1-CG 4.49Å; A33-K41 WeakPolarHBondContact O-CA 3.39Å; K41-L94 HydrophobicContact CB-CD2 3.6Å; K41-L94 HydrophobicContact CD-CD2 4.34Å
42V94.9Very high90.7Very high0 Ų040.5 Ų40.50%021%0.206CC..EExtended strand (participates in β ladder)trans-132.1159.6178.5-62.80000110.4Y16 A33 V44 Y79 I91 L331Y16-V42 HydrophobicContact CD1-CG2 3.72Å; Y16-V42 HydrophobicContact CE1-CG2 4.06Å; A33-V42 HydrophobicContact CB-CG2 3.94Å; A33-V42 PolarHBondContact N-O 3.15Å; A33-V42 PolarHBondContact O-N 3.37Å; V42-V44 HydrophobicContact CG2-CG2 4.07Å; V42-Y79 HydrophobicContact CG1-CD2 4.32Å; V42-Y79 HydrophobicContact CG1-CE2 4.07Å; V42-I91 HydrophobicContact CB-CG2 4Å; V42-I91 HydrophobicContact CG1-CG2 4.19Å; V42-I91 HydrophobicContact CG2-CG2 3.83Å; V42-L331 HydrophobicContact CG1-CD1 4.34Å; V42-L331 HydrophobicContact CG1-CD2 3.75Å
43A95.1Very high90Very high10 Ų1043.8 Ų43.88%0.08322%0.224CC..EExtended strand (participates in β ladder)trans-90.9142.8164.600000109V30 K31 L92 L94V30-A43 HydrophobicContact CG1-CB 4.32Å; K31-A43 CarbonylContact O-C 3.59Å; K31-A43 WeakPolarHBondContact O-CA 3.45Å; A43-L92 HydrophobicContact CB-CB 4.2Å; A43-L92 PolarHBondContact N-O 3.09Å; A43-L92 PolarHBondContact O-N 3.16Å; A43-L94 HydrophobicContact CB-CD1 4.04Å
44V94.6Very high89.1Confident0 Ų049.7 Ų49.70%026%0.259CS..EExtended strand (participates in β ladder)trans-127.4107.6178.3-178.60000109.3L18 V30 K31 A33 V42 V46 Y89 L90 I91L18-V44 HydrophobicContact CD2-CB 4.16Å; L18-V44 HydrophobicContact CD2-CG1 4.19Å; L18-V44 HydrophobicContact CD2-CG2 4.01Å; V30-V44 CarbonylContact C-O 3.59Å; V30-V44 WeakPolarHBondContact CA-O 3.5Å; K31-V44 PolarHBondContact N-O 3.06Å; K31-V44 PolarHBondContact O-N 3Å; A33-V44 HydrophobicContact CB-CG2 3.5Å; A33-V44 VanDerWaalsContact CB-CG2 3.5Å; V42-V44 HydrophobicContact CG2-CG2 4.07Å; V44-V46 HydrophobicContact CG1-CG2 3.89Å; V44-V46 PolarHBondContact O-N 3.28Å; V44-Y89 HydrophobicContact CG1-CD1 4.06Å; V44-L90 WeakPolarHBondContact CA-O 3.49Å; V44-I91 HydrophobicContact CB-CD1 4.38Å; V44-I91 HydrophobicContact CG1-CD1 3.91Å; V44-I91 HydrophobicContact CG2-CD1 3.7Å
45K92Very high88.1Confident13 Ų1350.6 Ų50.66%0.05727%0.271CS..EExtended strand (participates in β ladder)trans-82.2101.8173-171.5178.6172.4-171.10107.5A28 V30 I47 E63 L90 L92 D158A28-K45 HydrophobicContact CB-CG 4.21Å; V30-K45 HydrophobicContact CG2-CB 4.36Å; V30-K45 HydrophobicContact CG2-CG 4.23Å; K45-I47 HydrophobicContact CD-CD1 4.1Å; K45-I47 HydrophobicContact CG-CD1 4.04Å; K45-I47 HydrophobicContact CG-CG1 4.03Å; K45-E63 VanDerWaalsContact NZ-CD 3.33Å; K45-E63 IonicContact NZ-OE1 2.64Å; K45-E63 PolarHBondContact NZ-OE1 3.31Å; K45-E63 IonicContact NZ-OE2 3.09Å; K45-E63 PolarHBondContact NZ-OE2 3.48Å; K45-L90 HydrophobicContact CB-CB 4.27Å; K45-L90 HydrophobicContact CD-CD1 4.4Å; K45-L90 PolarHBondContact N-O 3.29Å; K45-L90 PolarHBondContact O-N 3.4Å; K45-L92 HydrophobicContact CB-CD1 4.14Å; K45-D158 VanDerWaalsContact NZ-CG 3.34Å; K45-D158 IonicContact NZ-OD1 3.91Å; K45-D158 PolarHBondContact NZ-OD1 2.97Å; K45-D158 IonicContact NZ-OD2 3.39Å; K45-D158 PolarHBondContact NZ-OD2 3.2Å
46V91.8Very high87Confident24 Ų2451.9 Ų51.915%0.14528%0.282CS..EExtended strand (participates in β ladder)trans-89.9119.6178.3-172.20000108.8A28 V29 V44 K87 Y89A28-V46 CarbonylContact C-O 3.59Å; A28-V46 VanDerWaalsContact CA-O 3.28Å; A28-V46 WeakPolarHBondContact CA-O 3.31Å; V29-V46 PolarHBondContact N-O 2.93Å; V29-V46 WeakPolarHBondContact O-CB 3.23Å; V29-V46 PolarHBondContact O-N 3.13Å; V44-V46 HydrophobicContact CG1-CG2 3.89Å; V44-V46 PolarHBondContact O-N 3.28Å; V46-K87 HydrophobicContact CG1-CD 4.29Å; V46-Y89 HydrophobicContact CB-CD1 4.37Å; V46-Y89 HydrophobicContact CB-CE1 4.47Å; V46-Y89 HydrophobicContact CG1-CD1 4.02Å; V46-Y89 HydrophobicContact CG1-CE1 3.73Å; V46-Y89 HydrophobicContact CG2-CD1 3.8Å; V46-Y89 HydrophobicContact CG2-CE1 3.99Å
47I89.3Confident86.3Confident6 Ų649.6 Ų49.63%0.03127%0.268CS..EExtended strand (participates in β ladder)trans-119.4130.2-173.5-57.2171.2000108.9A28 K45 K49 L52 L60 K87 L88 L90A28-I47 HydrophobicContact CB-CG1 3.94Å; K45-I47 HydrophobicContact CD-CD1 4.1Å; K45-I47 HydrophobicContact CG-CD1 4.04Å; K45-I47 HydrophobicContact CG-CG1 4.03Å; I47-K49 PolarHBondContact O-N 3.15Å; I47-L52 HydrophobicContact CG2-CD1 4.16Å; I47-L60 HydrophobicContact CD1-CD1 3.47Å; I47-L60 VanDerWaalsContact CD1-CD1 3.47Å; I47-L60 HydrophobicContact CG2-CD1 4.12Å; I47-L60 HydrophobicContact CG2-CD2 3.95Å; I47-K87 VanDerWaalsContact O-CA 3.27Å; I47-K87 WeakPolarHBondContact O-CA 3.29Å; I47-L88 HydrophobicContact CB-CB 4.44Å; I47-L88 PolarHBondContact N-O 3.4Å; I47-L88 PolarHBondContact O-N 3.22Å; I47-L90 HydrophobicContact CD1-CD1 4.13Å; I47-L90 HydrophobicContact CD1-CG 4.39Å
48D87.4Confident85.5Confident28 Ų2848.1 Ų48.115%0.1527%0.273CS..EExtended strand (participates in β ladder)trans-94.995.9-173.1-167.1-15.8000111.1F27 T50 K51F27-D48 PolarHBondContact O-N 2.79Å; D48-T50 PolarHBondContact O-N 2.82Å; D48-T50 VanDerWaalsContact O-N 3.13Å; D48-T50 PolarHBondContact OD1-N 2.82Å; D48-T50 PolarHBondContact OD1-OG1 3.43Å; D48-K51 HydrophobicContact CB-CD 4.14Å; D48-K51 HydrophobicContact CB-CG 4.44Å; D48-K51 PolarHBondContact O-N 3.42Å; D48-K51 VanDerWaalsContact OD2-CE 3.28Å; D48-K51 WeakPolarHBondContact OD2-CE 3.45Å; D48-K51 IonicContact OD2-NZ 3.61Å; D48-K51 PolarHBondContact OD2-NZ 2.96Å
49K87Confident84.6Confident43 Ų4351.8 Ų51.819%0.18729%0.289CS..G310 helixtrans-62.3-21.1-176.7-58.8-164.9-59.7-172.90112.6I47 K51 L52 L60 D83 T84 T86 L88I47-K49 PolarHBondContact O-N 3.15Å; K49-K51 PolarHBondContact O-N 2.81Å; K49-L52 PolarHBondContact O-N 2.98Å; K49-L60 HydrophobicContact CG-CD2 4.39Å; K49-D83 VanDerWaalsContact CE-OD1 3.3Å; K49-D83 WeakPolarHBondContact CE-OD1 3.28Å; K49-D83 IonicContact NZ-OD1 3.24Å; K49-D83 PolarHBondContact NZ-OD1 2.83Å; K49-D83 IonicContact NZ-OD2 2.66Å; K49-D83 PolarHBondContact NZ-OD2 2.69Å; K49-T84 WeakPolarHBondContact CE-O 3.43Å; K49-T84 PolarHBondContact NZ-O 2.87Å; K49-T86 WeakPolarHBondContact CB-O 3.31Å; K49-T86 PolarHBondContact N-O 3.13Å; K49-L88 HydrophobicContact CD-CB 4.47Å; K49-L88 HydrophobicContact CG-CB 4.48Å
50T86.5Confident84Confident93 Ų9350.8 Ų50.857%0.57128%0.277SS*.G310 helixtrans-71.1-12.8176.971.80000113.8D48 T86D48-T50 PolarHBondContact O-N 2.82Å; D48-T50 VanDerWaalsContact O-N 3.13Å; D48-T50 PolarHBondContact OD1-N 2.82Å; D48-T50 PolarHBondContact OD1-OG1 3.43Å; T50-T86 HydrophobicContact CG2-CG2 3.79Å
51K80.9Confident83.4Confident131 Ų13154.1 Ų54.157%0.5729%0.291SS*.G310 helixtrans-107.82.4180-63.8176.4179.6140.80113.5F27 D48 K49F27-K51 HydrophobicContact CD1-CB 4.26Å; F27-K51 WeakPolarHBondContact CE1-O 3.27Å; D48-K51 HydrophobicContact CB-CD 4.14Å; D48-K51 HydrophobicContact CB-CG 4.44Å; D48-K51 PolarHBondContact O-N 3.42Å; D48-K51 VanDerWaalsContact OD2-CE 3.28Å; D48-K51 WeakPolarHBondContact OD2-CE 3.45Å; D48-K51 IonicContact OD2-NZ 3.61Å; D48-K51 PolarHBondContact OD2-NZ 2.96Å; K49-K51 PolarHBondContact O-N 2.81Å
52L79.3Confident82.5Confident28 Ų2850.1 Ų50.115%0.14727%0.274CS..  trans-97.9141.8176.9-57-177.7000109.3F27 I47 K49 A56 L60F27-L52 HydrophobicContact CB-CD2 3.97Å; F27-L52 HydrophobicContact CD1-CD2 3.76Å; F27-L52 HydrophobicContact CD2-CD2 4.47Å; F27-L52 HydrophobicContact CE1-CD2 4.32Å; F27-L52 HydrophobicContact CG-CD2 3.84Å; I47-L52 HydrophobicContact CG2-CD1 4.16Å; K49-L52 PolarHBondContact O-N 2.98Å; L52-A56 HydrophobicContact CB-CB 4.15Å; L52-A56 HydrophobicContact CD2-CB 3.98Å; L52-L60 HydrophobicContact CD1-CB 4.36Å; L52-L60 HydrophobicContact CD1-CD2 3.66Å
53D80Confident81.6Confident87 Ų8750.5 Ų50.547%0.46528%0.276SS..  trans-80.1179.4163.973.5-26.2000110.2L55 A56 T57D53-L55 PolarHBondContact O-N 3.39Å; D53-L55 PolarHBondContact OD1-N 3.09Å; D53-A56 WeakPolarHBondContact OD1-CB 3.16Å; D53-A56 PolarHBondContact OD1-N 3.2Å; D53-T57 VanDerWaalsContact O-CB 3.28Å; D53-T57 WeakPolarHBondContact O-CB 3.48Å; D53-T57 PolarHBondContact O-N 3.39Å; D53-T57 PolarHBondContact O-OG1 3.02Å
54T76.6Confident80.9Confident125 Ų12550.7 Ų50.777%0.76728%0.276SS*.Hα-helixtrans-63.9-30178.6400000112.8G58T54-G58 PolarHBondContact O-N 3.29Å; T54-G58 VanDerWaalsContact O-N 3.08Å
55L73.1Confident80.2Confident120 Ų12058 Ų5863%0.62830%0.304SS*.Hα-helixtrans-72.5-51177.8-61.1177000111.5D53 T57 G58 H59D53-L55 PolarHBondContact O-N 3.39Å; D53-L55 PolarHBondContact OD1-N 3.09Å; L55-T57 VanDerWaalsContact C-N 3.26Å; L55-T57 PolarHBondContact O-N 3.01Å; L55-G58 WeakPolarHBondContact O-CA 3.36Å; L55-G58 PolarHBondContact O-N 3.16Å; L55-H59 PolarHBondContact O-CD2 2.62Å; L55-H59 PolarHBondContact O-N 3.31Å
56A71.8Confident79.4Confident27 Ų2757.4 Ų57.422%0.22330%0.301CS..Hα-helixtrans-64.8-30.3176.300000112.3L52 D53 H59 L60L52-A56 HydrophobicContact CB-CB 4.15Å; L52-A56 HydrophobicContact CD2-CB 3.98Å; D53-A56 WeakPolarHBondContact OD1-CB 3.16Å; D53-A56 PolarHBondContact OD1-N 3.2Å; A56-H59 PolarHBondContact O-N 3.34Å; A56-L60 WeakPolarHBondContact O-CB 3.35Å; A56-L60 PolarHBondContact O-N 3.38Å
57T76.6Confident78.9Confident37 Ų3756.7 Ų56.723%0.22730%0.296CS..Hα-helixtrans-64.5-41.3170-58.70000111.7D53 L55 L60 F61D53-T57 VanDerWaalsContact O-CB 3.28Å; D53-T57 WeakPolarHBondContact O-CB 3.48Å; D53-T57 PolarHBondContact O-N 3.39Å; D53-T57 PolarHBondContact O-OG1 3.02Å; L55-T57 VanDerWaalsContact C-N 3.26Å; L55-T57 PolarHBondContact O-N 3.01Å; T57-L60 WeakPolarHBondContact O-CB 3.49Å; T57-L60 PolarHBondContact O-N 2.96Å; T57-F61 HydrophobicContact CG2-CD2 4.09Å; T57-F61 HydrophobicContact CG2-CE2 3.75Å; T57-F61 VanDerWaalsContact O-CD2 3.24Å; T57-F61 WeakPolarHBondContact O-CD2 3.48Å; T57-F61 PolarHBondContact O-N 3.05Å; T57-F61 VanDerWaalsContact O-N 3.16Å
58G73.3Confident78.5Confident41 Ų4160 Ų6042%0.42331%0.31SS..Hα-helixtrans-62.3-43.2172.200000112.8T54 L55 L60 F61 Q62T54-G58 PolarHBondContact O-N 3.29Å; T54-G58 VanDerWaalsContact O-N 3.08Å; L55-G58 WeakPolarHBondContact O-CA 3.36Å; L55-G58 PolarHBondContact O-N 3.16Å; G58-L60 VanDerWaalsContact C-N 3.33Å; G58-L60 PolarHBondContact O-N 3.01Å; G58-F61 PolarHBondContact O-N 2.97Å; G58-Q62 PolarHBondContact O-N 3.21Å; G58-Q62 VanDerWaalsContact O-N 3.11Å
59H71.8Confident77.9Confident85 Ų8562.5 Ų62.539%0.39432%0.324SS..Hα-helixtrans-62.5-37.9173.8-67.2-51.8000112.6L55 A56 Q62 E63L55-H59 PolarHBondContact O-CD2 2.62Å; L55-H59 PolarHBondContact O-N 3.31Å; A56-H59 PolarHBondContact O-N 3.34Å; H59-Q62 CarbonylContact O-C 3.58Å; H59-Q62 WeakPolarHBondContact O-CB 3.43Å; H59-Q62 PolarHBondContact O-N 3.05Å; H59-Q62 VanDerWaalsContact O-N 3.15Å; H59-E63 PolarHBondContact O-N 3.07Å
60L78.2Confident77.3Confident10 Ų1060.8 Ų60.85%0.05232%0.317CS..Hα-helixtrans-62.6-44.8176.7-178.861.6000112.7I47 K49 L52 A56 T57 G58 Q62 E63 V64 L88I47-L60 HydrophobicContact CD1-CD1 3.47Å; I47-L60 VanDerWaalsContact CD1-CD1 3.47Å; I47-L60 HydrophobicContact CG2-CD1 4.12Å; I47-L60 HydrophobicContact CG2-CD2 3.95Å; K49-L60 HydrophobicContact CG-CD2 4.39Å; L52-L60 HydrophobicContact CD1-CB 4.36Å; L52-L60 HydrophobicContact CD1-CD2 3.66Å; A56-L60 WeakPolarHBondContact O-CB 3.35Å; A56-L60 PolarHBondContact O-N 3.38Å; T57-L60 WeakPolarHBondContact O-CB 3.49Å; T57-L60 PolarHBondContact O-N 2.96Å; G58-L60 VanDerWaalsContact C-N 3.33Å; G58-L60 PolarHBondContact O-N 3.01Å; L60-Q62 VanDerWaalsContact C-N 3.25Å; L60-Q62 PolarHBondContact O-N 3.23Å; L60-E63 PolarHBondContact O-N 2.91Å; L60-V64 WeakPolarHBondContact O-CG2 3.46Å; L60-V64 PolarHBondContact O-N 2.67Å; L60-V64 VanDerWaalsContact O-N 3.1Å; L60-L88 HydrophobicContact CD1-CD2 3.82Å; L60-L88 HydrophobicContact CD2-CB 4.29Å; L60-L88 HydrophobicContact CD2-CD2 3.73Å; L60-L88 HydrophobicContact CG-CD2 3.71Å
61F77.6Confident76.9Confident110 Ų11058.4 Ų58.448%0.48230%0.299SS..Hα-helixtrans-65.5-31.3174.2-74.6-64000112.2T57 G58 R65T57-F61 HydrophobicContact CG2-CD2 4.09Å; T57-F61 HydrophobicContact CG2-CE2 3.75Å; T57-F61 VanDerWaalsContact O-CD2 3.24Å; T57-F61 WeakPolarHBondContact O-CD2 3.48Å; T57-F61 PolarHBondContact O-N 3.05Å; T57-F61 VanDerWaalsContact O-N 3.16Å; G58-F61 PolarHBondContact O-N 2.97Å; F61-R65 WeakPolarHBondContact O-CB 3.46Å; F61-R65 PolarHBondContact O-N 2.95Å
62Q73.7Confident76.9Confident34 Ų3452.9 Ų52.916%0.15928%0.275CS..Hα-helixtrans-71.6-38.7173.9-17557.832.100112.7G58 H59 L60 R65 C66G58-Q62 PolarHBondContact O-N 3.21Å; G58-Q62 VanDerWaalsContact O-N 3.11Å; H59-Q62 CarbonylContact O-C 3.58Å; H59-Q62 WeakPolarHBondContact O-CB 3.43Å; H59-Q62 PolarHBondContact O-N 3.05Å; H59-Q62 VanDerWaalsContact O-N 3.15Å; L60-Q62 VanDerWaalsContact C-N 3.25Å; L60-Q62 PolarHBondContact O-N 3.23Å; Q62-R65 PolarHBondContact O-N 3.15Å; Q62-C66 PolarHBondContact NE2-SG 3.21Å; Q62-C66 PolarHBondContact O-N 3.35Å; Q62-C66 PolarHBondContact O-SG 3.11Å; Q62-C66 VanDerWaalsContact O-SG 3.34Å
63E77.4Confident77.2Confident9 Ų952.1 Ų52.14%0.04227%0.272CS..Hα-helixtrans-54.3-53.6169.6174-178.7-179.400109.8K45 H59 L60 R65 C66 M67 F159 G160K45-E63 VanDerWaalsContact NZ-CD 3.33Å; K45-E63 IonicContact NZ-OE1 2.64Å; K45-E63 PolarHBondContact NZ-OE1 3.31Å; K45-E63 IonicContact NZ-OE2 3.09Å; K45-E63 PolarHBondContact NZ-OE2 3.48Å; H59-E63 PolarHBondContact O-N 3.07Å; L60-E63 PolarHBondContact O-N 2.91Å; E63-R65 VanDerWaalsContact C-N 3.3Å; E63-R65 PolarHBondContact O-N 3.35Å; E63-C66 WeakPolarHBondContact O-CB 3.47Å; E63-C66 PolarHBondContact O-N 3.17Å; E63-C66 VanDerWaalsContact O-N 3.16Å; E63-M67 HydrophobicContact CG-CG 4.4Å; E63-M67 HydrophobicContact CG-SD 3.92Å; E63-M67 WeakPolarHBondContact O-CG 3.35Å; E63-M67 PolarHBondContact O-N 2.95Å; E63-F159 HydrophobicContact CG-CB 4.42Å; E63-G160 WeakPolarHBondContact OE2-CA 3.15Å
64V80.9Confident77.7Confident13 Ų1348 Ų488%0.07925%0.25CC..Hα-helixtrans-56.9-43.9177.3172.20000111.6L60 C66 M67 K68 V81 L88 L90L60-V64 WeakPolarHBondContact O-CG2 3.46Å; L60-V64 PolarHBondContact O-N 2.67Å; L60-V64 VanDerWaalsContact O-N 3.1Å; V64-C66 PolarHBondContact O-N 3.15Å; V64-M67 PolarHBondContact O-N 3.33Å; V64-K68 HydrophobicContact CG1-CD 4.11Å; V64-K68 HydrophobicContact CG1-CG 4.46Å; V64-K68 VanDerWaalsContact O-CG 3.31Å; V64-K68 WeakPolarHBondContact O-CG 3.28Å; V64-K68 PolarHBondContact O-N 3.22Å; V64-V81 HydrophobicContact CG1-CG1 4.49Å; V64-V81 HydrophobicContact CG1-CG2 3.99Å; V64-L88 HydrophobicContact CG2-CD2 3.86Å; V64-L90 HydrophobicContact CG2-CD2 3.75Å
65R80Confident78.3Confident154 Ų15442.3 Ų42.358%0.58122%0.215SC*.Hα-helixtrans-65.8-36.5179.5-165.1178.4-169.1-174.37.3112.3F61 Q62 E63 L69F61-R65 WeakPolarHBondContact O-CB 3.46Å; F61-R65 PolarHBondContact O-N 2.95Å; Q62-R65 PolarHBondContact O-N 3.15Å; E63-R65 VanDerWaalsContact C-N 3.3Å; E63-R65 PolarHBondContact O-N 3.35Å; R65-L69 WeakPolarHBondContact O-CD1 3.01Å; R65-L69 VanDerWaalsContact O-CG 3.32Å; R65-L69 WeakPolarHBondContact O-CG 3.3Å
66C75Confident79.2Confident0 Ų037 Ų370%019%0.188CC..Hα-helixtrans-66.2-51.8172.6-71.60000111.1Q62 E63 V64 K68 L69 V70 V135 S162Q62-C66 PolarHBondContact NE2-SG 3.21Å; Q62-C66 PolarHBondContact O-N 3.35Å; Q62-C66 PolarHBondContact O-SG 3.11Å; Q62-C66 VanDerWaalsContact O-SG 3.34Å; E63-C66 WeakPolarHBondContact O-CB 3.47Å; E63-C66 PolarHBondContact O-N 3.17Å; E63-C66 VanDerWaalsContact O-N 3.16Å; V64-C66 PolarHBondContact O-N 3.15Å; C66-K68 VanDerWaalsContact C-N 3.26Å; C66-K68 PolarHBondContact O-N 2.9Å; C66-L69 PolarHBondContact O-N 2.94Å; C66-V70 WeakPolarHBondContact O-CG2 3.49Å; C66-V70 PolarHBondContact O-N 3.47Å; C66-V70 VanDerWaalsContact O-N 3.09Å; C66-V135 HydrophobicContact CB-CG1 4.33Å; C66-S162 WeakPolarHBondContact CB-OG 3.24Å; C66-S162 PolarHBondContact SG-OG 3.41Å; C66-S162 VanDerWaalsContact SG-OG 3.32Å
67M81.3Confident79.9Confident10 Ų1036.7 Ų36.75%0.04918%0.18CC..Hα-helixtrans-64.3-26.3-177.2-65.6-175.382.300113.7E63 V64 L69 L78 L90 L92 F159E63-M67 HydrophobicContact CG-CG 4.4Å; E63-M67 HydrophobicContact CG-SD 3.92Å; E63-M67 WeakPolarHBondContact O-CG 3.35Å; E63-M67 PolarHBondContact O-N 2.95Å; V64-M67 PolarHBondContact O-N 3.33Å; M67-L69 VanDerWaalsContact C-N 3.34Å; M67-L78 HydrophobicContact CB-CB 4.32Å; M67-L78 HydrophobicContact CB-CD2 3.86Å; M67-L90 HydrophobicContact SD-CD1 4.31Å; M67-L92 HydrophobicContact CE-CD1 4.47Å; M67-L92 HydrophobicContact CE-CD2 3.5Å; M67-F159 HydrophobicContact CG-CB 3.91Å; M67-F159 HydrophobicContact CG-CD2 4.2Å; M67-F159 HydrophobicContact CG-CG 4.23Å; M67-F159 HydrophobicContact SD-CB 4.43Å
68K80.1Confident80.6Confident74 Ų7435.2 Ų35.232%0.32217%0.171SC..Hα-helixtrans-73.2-22171.5-72.6-177.4177.6-1760114.1V64 C66 L78 Y322V64-K68 HydrophobicContact CG1-CD 4.11Å; V64-K68 HydrophobicContact CG1-CG 4.46Å; V64-K68 VanDerWaalsContact O-CG 3.31Å; V64-K68 WeakPolarHBondContact O-CG 3.28Å; V64-K68 PolarHBondContact O-N 3.22Å; C66-K68 VanDerWaalsContact C-N 3.26Å; C66-K68 PolarHBondContact O-N 2.9Å; K68-L78 HydrophobicContact CG-CD2 3.82Å; K68-Y322 HydrophobicContact CB-CD2 4.36Å; K68-Y322 HydrophobicContact CB-CE1 4.48Å; K68-Y322 HydrophobicContact CB-CE2 3.86Å; K68-Y322 HydrophobicContact CD-CD2 3.75Å; K68-Y322 HydrophobicContact CD-CE2 4.12Å; K68-Y322 HydrophobicContact CD-CG 4.02Å; K68-Y322 HydrophobicContact CG-CD1 4Å; K68-Y322 HydrophobicContact CG-CD2 3.74Å; K68-Y322 HydrophobicContact CG-CE1 3.94Å; K68-Y322 HydrophobicContact CG-CE2 3.7Å; K68-Y322 HydrophobicContact CG-CG 3.91Å; K68-Y322 PolarHBondContact O-OH 3.38Å
69L74.3Confident81.3Confident82 Ų8233.5 Ų33.543%0.42915%0.152SC..Hα-helixtrans-94.7-29.1-179.1-68.5168.5000113R65 C66 M67 Q71R65-L69 WeakPolarHBondContact O-CD1 3.01Å; R65-L69 VanDerWaalsContact O-CG 3.32Å; R65-L69 WeakPolarHBondContact O-CG 3.3Å; C66-L69 PolarHBondContact O-N 2.94Å; M67-L69 VanDerWaalsContact C-N 3.34Å; L69-Q71 PolarHBondContact O-N 3.42Å
70V74.4Confident82.3Confident7 Ų730 Ų304%0.04214%0.136CC..  trans-91.9102.2-172.3176.80000109.9C66 I75 Y129 V135 F159C66-V70 WeakPolarHBondContact O-CG2 3.49Å; C66-V70 PolarHBondContact O-N 3.47Å; C66-V70 VanDerWaalsContact O-N 3.09Å; V70-I75 HydrophobicContact CG1-CB 4.35Å; V70-I75 HydrophobicContact CG1-CD1 3.28Å; V70-I75 HydrophobicContact CG1-CG1 4.36Å; V70-I75 HydrophobicContact CG1-CG2 3.9Å; V70-Y129 HydrophobicContact CB-CE1 4.48Å; V70-Y129 HydrophobicContact CG1-CD1 4.21Å; V70-Y129 HydrophobicContact CG1-CE1 3.93Å; V70-V135 HydrophobicContact CG2-CB 4.44Å; V70-V135 HydrophobicContact CG2-CG1 4.36Å; V70-V135 HydrophobicContact CG2-CG2 4.09Å; V70-F159 HydrophobicContact CG1-CZ 4.41Å
71Q78.3Confident82.9Confident42 Ų4230.9 Ų30.920%0.19614%0.142CC..  trans-123.5101.9176.3-60.1-165.932.500111.2L69 Y129 P283 Y322L69-Q71 PolarHBondContact O-N 3.42Å; Q71-Y129 PolarHBondContact N-OH 2.63Å; Q71-Y129 PolarHBondContact O-OH 3.2Å; Q71-Y129 VanDerWaalsContact O-OH 3.06Å; Q71-P283 HydrophobicContact CB-CG 3.88Å; Q71-Y322 PolarHBondContact NE2-OH 2.99Å; Q71-Y322 VanDerWaalsContact NE2-OH 3.16Å
72H81.9Confident83.5Confident15 Ų1527 Ų277%0.06913%0.126CC..  trans-144.1146.3-173.4-175.5-86.2000110.6N74 I75 H125 A126 Y129H72-N74 WeakPolarHBondContact CE1-CB 3.49Å; H72-N74 VanDerWaalsContact CE1-CG 3.41Å; H72-N74 PolarHBondContact CE1-OD1 3.16Å; H72-N74 PolarHBondContact ND1-N 3.3Å; H72-N74 PolarHBondContact O-N 2.87Å; H72-N74 VanDerWaalsContact O-N 3.17Å; H72-I75 HydrophobicContact CB-CB 4.21Å; H72-I75 HydrophobicContact CB-CD1 3.87Å; H72-I75 HydrophobicContact CB-CG1 3.96Å; H72-I75 PolarHBondContact O-N 3.5Å; H72-I75 VanDerWaalsContact O-N 3.13Å; H72-H125 VanDerWaalsContact CE1-C 3.48Å; H72-H125 AromaticContact CE1-CD2 2.84Å; H72-H125 PolarHBondContact CE1-CD2 3.24Å; H72-H125 AromaticContact CE1-CG 3.4Å; H72-H125 VanDerWaalsContact CE1-CG 3.4Å; H72-H125 AromaticContact NE2-CD2 2.67Å; H72-H125 PolarHBondContact NE2-CD2 3.03Å; H72-H125 AromaticContact NE2-CE1 3.75Å; H72-H125 AromaticContact NE2-CG 3Å; H72-H125 AromaticContact NE2-ND1 3.25Å; H72-H125 PolarHBondContact NE2-ND1 3.42Å; H72-H125 AromaticContact NE2-NE2 3.2Å; H72-H125 PolarHBondContact NE2-NE2 2.9Å; H72-H125 VanDerWaalsContact NE2-NE2 3.2Å; H72-H125 PolarHBondContact NE2-O 3.34Å; H72-A126 PolarHBondContact CE1-N 3.5Å; H72-A126 VanDerWaalsContact CE1-N 3.35Å; H72-Y129 HydrophobicContact CB-CD1 3.71Å; H72-Y129 HydrophobicContact CB-CE1 3.84Å; H72-Y129 HydrophobicContact CB-CG 4.16Å; H72-Y129 VanDerWaalsContact CD2-CB 3.46Å; H72-Y129 WeakPolarHBondContact CD2-CB 3.39Å; H72-Y129 AromaticContact CD2-CD1 3.9Å; H72-Y129 AromaticContact CD2-CD2 3.76Å; H72-Y129 AromaticContact CD2-CG 3.43Å; H72-Y129 VanDerWaalsContact CD2-CG 3.43Å
73P84.6Confident84.3Confident12 Ų1229.1 Ų29.18%0.07814%0.138CC..THydrogen-bonded Turntrans-59.5-25.5-179.122.9-35.1000114.6K155 A277P73-K155 WeakPolarHBondContact O-CD 3.46Å; P73-K155 WeakPolarHBondContact O-CE 3.44Å; P73-A277 HydrophobicContact CB-CB 3.63Å; P73-A277 HydrophobicContact CG-CB 4.22Å
74N90.6Very high84.9Confident1 Ų131.2 Ų31.21%0.00515%0.151CC..THydrogen-bonded Turntrans-102.626.5178.9-61.2102.8000112.9H72 Q122 A126 V154 K155 L156 S275H72-N74 WeakPolarHBondContact CE1-CB 3.49Å; H72-N74 VanDerWaalsContact CE1-CG 3.41Å; H72-N74 PolarHBondContact CE1-OD1 3.16Å; H72-N74 PolarHBondContact ND1-N 3.3Å; H72-N74 PolarHBondContact O-N 2.87Å; H72-N74 VanDerWaalsContact O-N 3.17Å; N74-Q122 PolarHBondContact ND2-OE1 3.25Å; N74-A126 HydrophobicContact CB-CB 4.01Å; N74-V154 WeakPolarHBondContact CB-O 3.08Å; N74-V154 PolarHBondContact ND2-O 3.43Å; N74-K155 CarbonylContact O-C 3.13Å; N74-K155 VanDerWaalsContact O-CA 3.25Å; N74-K155 WeakPolarHBondContact O-CA 3.46Å; N74-L156 PolarHBondContact O-N 2.97Å; N74-S275 WeakPolarHBondContact OD1-CB 3.3Å; N74-S275 PolarHBondContact OD1-OG 3.05Å
75I90.3Very high85.2Confident6 Ų639.1 Ų39.13%0.03119%0.187CC..BIsolated β-bridgetrans-136.5136.5174.7-57.5-179.2000108.9V70 H72 R77 A126 Y129 C130 L156 F159V70-I75 HydrophobicContact CG1-CB 4.35Å; V70-I75 HydrophobicContact CG1-CD1 3.28Å; V70-I75 HydrophobicContact CG1-CG1 4.36Å; V70-I75 HydrophobicContact CG1-CG2 3.9Å; H72-I75 HydrophobicContact CB-CB 4.21Å; H72-I75 HydrophobicContact CB-CD1 3.87Å; H72-I75 HydrophobicContact CB-CG1 3.96Å; H72-I75 PolarHBondContact O-N 3.5Å; H72-I75 VanDerWaalsContact O-N 3.13Å; I75-R77 PolarHBondContact O-N 3.35Å; I75-A126 HydrophobicContact CD1-CB 4.06Å; I75-A126 HydrophobicContact CG1-CB 3.79Å; I75-Y129 HydrophobicContact CD1-CD1 4.24Å; I75-C130 WeakPolarHBondContact CD1-SG 2.94Å; I75-L156 HydrophobicContact CG1-CB 4.35Å; I75-F159 HydrophobicContact CD1-CZ 4.31Å; I75-F159 HydrophobicContact CG2-CE2 3.56Å; I75-F159 HydrophobicContact CG2-CZ 3.63Å
76V90.9Very high85.6Confident9 Ų935 Ų356%0.05518%0.18CC..PPolyproline II helixtrans-62.5120.9-178.7165.80000110.3L92 E93 F148 K155 L156V76-L92 HydrophobicContact CG1-CB 3.98Å; V76-E93 HydrophobicContact CG1-CB 4.11Å; V76-F148 HydrophobicContact CG2-CE2 4.22Å; V76-F148 HydrophobicContact CG2-CZ 4.44Å; V76-K155 HydrophobicContact CG2-CB 3.93Å; V76-L156 WeakPolarHBondContact CB-O 3.32Å; V76-L156 WeakPolarHBondContact CG2-O 3.27Å; V76-L156 PolarHBondContact N-O 2.97Å
77R87.5Confident86.3Confident19 Ų1938.7 Ų38.77%0.07220%0.196CC..PPolyproline II helixtrans-69.8133-179.2-170.1175-17784.1-5.2111.2I75 Y79 L92 E93 V285 F330 E334I75-R77 PolarHBondContact O-N 3.35Å; R77-Y79 HydrophobicContact CG-CD1 4.4Å; R77-Y79 HydrophobicContact CG-CE1 4.34Å; R77-L92 CarbonylContact O-C 3.52Å; R77-L92 WeakPolarHBondContact O-CA 3.06Å; R77-E93 HydrophobicContact CB-CB 4.17Å; R77-E93 PolarHBondContact O-N 3.12Å; R77-V285 PolarHBondContact NH2-O 2.95Å; R77-F330 VanDerWaalsContact NH2-CE1 3.27Å; R77-F330 VanDerWaalsContact NH2-CZ 3.31Å; R77-E334 WeakPolarHBondContact CD-OE1 3.33Å
78L89.6Confident86.8Confident6 Ų638.4 Ų38.43%0.03119%0.194CC..EExtended strand (participates in β ladder)trans-85.3124.4162.2177.269.3000108.6M67 K68 E80 V81 L90 L92 Y322M67-L78 HydrophobicContact CB-CB 4.32Å; M67-L78 HydrophobicContact CB-CD2 3.86Å; K68-L78 HydrophobicContact CG-CD2 3.82Å; L78-E80 WeakPolarHBondContact CD1-O 3.48Å; L78-V81 HydrophobicContact CD1-CG2 4.09Å; L78-V81 HydrophobicContact CD2-CG2 3.86Å; L78-V81 HydrophobicContact CG-CG2 4.35Å; L78-L90 HydrophobicContact CD1-CB 4.06Å; L78-L92 HydrophobicContact CB-CD2 4.21Å; L78-L92 HydrophobicContact CD1-CD2 3.67Å; L78-Y322 HydrophobicContact CB-CE1 4.29Å; L78-Y322 HydrophobicContact CD2-CD1 3.97Å; L78-Y322 HydrophobicContact CD2-CE1 4.03Å; L78-Y322 HydrophobicContact CG-CD1 3.99Å; L78-Y322 HydrophobicContact CG-CE1 4.07Å; L78-Y322 WeakPolarHBondContact O-CE1 3.49Å
79Y89.7Confident87.4Confident5 Ų536.6 Ų36.62%0.0219%0.186CC..EExtended strand (participates in β ladder)trans-94.3-45.1174.6-54.7-75.6000111.9V42 R77 I91 E93 F330 L331 E334V42-Y79 HydrophobicContact CG1-CD2 4.32Å; V42-Y79 HydrophobicContact CG1-CE2 4.07Å; R77-Y79 HydrophobicContact CG-CD1 4.4Å; R77-Y79 HydrophobicContact CG-CE1 4.34Å; Y79-I91 HydrophobicContact CD2-CG2 4.21Å; Y79-I91 PolarHBondContact N-O 3.06Å; Y79-E93 HydrophobicContact CE2-CB 4.17Å; Y79-E93 WeakPolarHBondContact OH-CG 3.44Å; Y79-F330 HydrophobicContact CD1-CB 4.03Å; Y79-F330 HydrophobicContact CE1-CB 4.43Å; Y79-L331 HydrophobicContact CD1-CD2 4.28Å; Y79-L331 HydrophobicContact CD1-CG 4.44Å; Y79-L331 HydrophobicContact CD2-CD2 4.24Å; Y79-L331 HydrophobicContact CE1-CD2 3.93Å; Y79-L331 HydrophobicContact CE1-CG 4.47Å; Y79-L331 HydrophobicContact CE2-CD2 3.86Å; Y79-L331 HydrophobicContact CG-CD2 4.43Å; Y79-E334 WeakPolarHBondContact CE1-OE1 3.41Å; Y79-E334 PolarHBondContact OH-OE2 2.89Å
80E91.2Very high88.2Confident13 Ų1332.7 Ų32.76%0.06117%0.165CC..EExtended strand (participates in β ladder)trans-148.7152.1-170.5-171.6169.3-176.200111.6Y16 L78 I82 I91 H324 A327Y16-E80 WeakPolarHBondContact CE2-OE2 3.25Å; Y16-E80 PolarHBondContact OH-OE2 2.72Å; L78-E80 WeakPolarHBondContact CD1-O 3.48Å; E80-I82 HydrophobicContact CG-CG1 4.07Å; E80-I91 HydrophobicContact CB-CB 3.96Å; E80-I91 HydrophobicContact CB-CG1 3.76Å; E80-I91 HydrophobicContact CG-CG1 4.42Å; E80-I91 PolarHBondContact O-N 3.08Å; E80-H324 WeakPolarHBondContact OE1-CA 3.35Å; E80-H324 WeakPolarHBondContact OE1-CB 3.39Å; E80-H324 PolarHBondContact OE1-N 2.94Å; E80-H324 WeakPolarHBondContact OE2-CA 3.26Å; E80-A327 HydrophobicContact CB-CB 3.86Å
81V91.1Very high89.1Confident28 Ų2832.3 Ų32.317%0.1716%0.163CC..EExtended strand (participates in β ladder)trans-123.9110.7170-1790000107.7V64 L78 L88 L90V64-V81 HydrophobicContact CG1-CG1 4.49Å; V64-V81 HydrophobicContact CG1-CG2 3.99Å; L78-V81 HydrophobicContact CD1-CG2 4.09Å; L78-V81 HydrophobicContact CD2-CG2 3.86Å; L78-V81 HydrophobicContact CG-CG2 4.35Å; V81-L88 HydrophobicContact CG1-CD1 3.56Å; V81-L88 HydrophobicContact CG1-CG 4.26Å; V81-L90 HydrophobicContact CG1-CD2 4Å; V81-L90 HydrophobicContact CG2-CD2 4.03Å
82I91.5Very high89.9Confident29 Ų2930.8 Ų30.815%0.14916%0.156CC..EExtended strand (participates in β ladder)trans-98.1110.4172.3-49.2170.6000106.8Y16 E80 T84 Y89 I91Y16-I82 HydrophobicContact CD2-CD1 3.97Å; Y16-I82 HydrophobicContact CE2-CD1 4.04Å; E80-I82 HydrophobicContact CG-CG1 4.07Å; I82-T84 HydrophobicContact CG2-CG2 4.36Å; I82-Y89 HydrophobicContact CB-CD2 4.48Å; I82-Y89 PolarHBondContact N-O 3.36Å; I82-Y89 PolarHBondContact O-N 2.94Å; I82-I91 HydrophobicContact CD1-CD1 4.32Å
83D90.1Very high90.3Very high78 Ų7830.5 Ų30.542%0.41716%0.155SC..EExtended strand (participates in β ladder)trans-96.5143.3171.1-161.724.8000111.5K49 L88K49-D83 VanDerWaalsContact CE-OD1 3.3Å; K49-D83 WeakPolarHBondContact CE-OD1 3.28Å; K49-D83 IonicContact NZ-OD1 3.24Å; K49-D83 PolarHBondContact NZ-OD1 2.83Å; K49-D83 IonicContact NZ-OD2 2.66Å; K49-D83 PolarHBondContact NZ-OD2 2.69Å; D83-L88 HydrophobicContact CB-CD1 3.57Å; D83-L88 WeakPolarHBondContact OD1-CD1 3.22Å
84T90.3Very high90.7Very high53 Ų5332 Ų3233%0.32516%0.162SC..  trans-140164.5178.2720000108.9K49 I82 T86 K87 Y89K49-T84 WeakPolarHBondContact CE-O 3.43Å; K49-T84 PolarHBondContact NZ-O 2.87Å; I82-T84 HydrophobicContact CG2-CG2 4.36Å; T84-T86 PolarHBondContact O-N 2.86Å; T84-K87 WeakPolarHBondContact CB-O 3.47Å; T84-K87 PolarHBondContact N-O 3.03Å; T84-K87 PolarHBondContact O-N 2.66Å; T84-K87 PolarHBondContact OG1-N 2.95Å; T84-K87 VanDerWaalsContact OG1-N 3.13Å; T84-K87 PolarHBondContact OG1-O 3.42Å; T84-Y89 HydrophobicContact CG2-CD2 4.43Å; T84-Y89 HydrophobicContact CG2-CE2 4.02Å
85Q87.8Confident90.8Very high178 Ų17832.8 Ų32.883%0.83217%0.17SC*.SBendtrans-53.8-35.1-174-168.559.849.600114
86T87.6Confident90.7Very high69 Ų6935.6 Ų35.642%0.42319%0.186SC..SBendtrans-111.7-16.3-175.654.10000114.6K49 T50 T84K49-T86 WeakPolarHBondContact CB-O 3.31Å; K49-T86 PolarHBondContact N-O 3.13Å; T50-T86 HydrophobicContact CG2-CG2 3.79Å; T84-T86 PolarHBondContact O-N 2.86Å
87K90.3Very high90.6Very high77 Ų7736.7 Ų36.734%0.33520%0.199SC..EExtended strand (participates in β ladder)trans-145144.7-171.6-67178.3-176.5170.40113.1V46 I47 T84 Y89V46-K87 HydrophobicContact CG1-CD 4.29Å; I47-K87 VanDerWaalsContact O-CA 3.27Å; I47-K87 WeakPolarHBondContact O-CA 3.29Å; T84-K87 WeakPolarHBondContact CB-O 3.47Å; T84-K87 PolarHBondContact N-O 3.03Å; T84-K87 PolarHBondContact O-N 2.66Å; T84-K87 PolarHBondContact OG1-N 2.95Å; T84-K87 VanDerWaalsContact OG1-N 3.13Å; T84-K87 PolarHBondContact OG1-O 3.42Å; K87-Y89 HydrophobicContact CB-CD2 4.39Å; K87-Y89 HydrophobicContact CB-CE2 3.67Å
88L90.4Very high90.9Very high3 Ų337.7 Ų37.72%0.01622%0.215CC..EExtended strand (participates in β ladder)trans-107138.5168.3-168.169.9000109.3I47 K49 L60 V64 V81 D83 L90I47-L88 HydrophobicContact CB-CB 4.44Å; I47-L88 PolarHBondContact N-O 3.4Å; I47-L88 PolarHBondContact O-N 3.22Å; K49-L88 HydrophobicContact CD-CB 4.47Å; K49-L88 HydrophobicContact CG-CB 4.48Å; L60-L88 HydrophobicContact CD1-CD2 3.82Å; L60-L88 HydrophobicContact CD2-CB 4.29Å; L60-L88 HydrophobicContact CD2-CD2 3.73Å; L60-L88 HydrophobicContact CG-CD2 3.71Å; V64-L88 HydrophobicContact CG2-CD2 3.86Å; V81-L88 HydrophobicContact CG1-CD1 3.56Å; V81-L88 HydrophobicContact CG1-CG 4.26Å; D83-L88 HydrophobicContact CB-CD1 3.57Å; D83-L88 WeakPolarHBondContact OD1-CD1 3.22Å; L88-L90 HydrophobicContact CD2-CD2 3.82Å; L88-L90 HydrophobicContact CG-CD2 3.99Å
89Y92.3Very high91.1Very high36 Ų3639.7 Ų39.714%0.14123%0.225CC..EExtended strand (participates in β ladder)trans-121.6115.9175.8-55.8-109.2000108.6A13 L18 V44 V46 I82 T84 K87A13-Y89 HydrophobicContact CB-CD1 3.79Å; A13-Y89 HydrophobicContact CB-CE1 3.66Å; A13-Y89 HydrophobicContact CB-CG 4.44Å; L18-Y89 HydrophobicContact CD1-CE1 4.37Å; V44-Y89 HydrophobicContact CG1-CD1 4.06Å; V46-Y89 HydrophobicContact CB-CD1 4.37Å; V46-Y89 HydrophobicContact CB-CE1 4.47Å; V46-Y89 HydrophobicContact CG1-CD1 4.02Å; V46-Y89 HydrophobicContact CG1-CE1 3.73Å; V46-Y89 HydrophobicContact CG2-CD1 3.8Å; V46-Y89 HydrophobicContact CG2-CE1 3.99Å; I82-Y89 HydrophobicContact CB-CD2 4.48Å; I82-Y89 PolarHBondContact N-O 3.36Å; I82-Y89 PolarHBondContact O-N 2.94Å; T84-Y89 HydrophobicContact CG2-CD2 4.43Å; T84-Y89 HydrophobicContact CG2-CE2 4.02Å; K87-Y89 HydrophobicContact CB-CD2 4.39Å; K87-Y89 HydrophobicContact CB-CE2 3.67Å
90L92.3Very high91.3Very high0 Ų039.5 Ų39.50%023%0.225CC..EExtended strand (participates in β ladder)trans-96.5120.1172.4-48.3-175.8000108.5V44 K45 I47 V64 M67 L78 V81 L88 L92V44-L90 WeakPolarHBondContact CA-O 3.49Å; K45-L90 HydrophobicContact CB-CB 4.27Å; K45-L90 HydrophobicContact CD-CD1 4.4Å; K45-L90 PolarHBondContact N-O 3.29Å; K45-L90 PolarHBondContact O-N 3.4Å; I47-L90 HydrophobicContact CD1-CD1 4.13Å; I47-L90 HydrophobicContact CD1-CG 4.39Å; V64-L90 HydrophobicContact CG2-CD2 3.75Å; M67-L90 HydrophobicContact SD-CD1 4.31Å; L78-L90 HydrophobicContact CD1-CB 4.06Å; V81-L90 HydrophobicContact CG1-CD2 4Å; V81-L90 HydrophobicContact CG2-CD2 4.03Å; L88-L90 HydrophobicContact CD2-CD2 3.82Å; L88-L90 HydrophobicContact CG-CD2 3.99Å; L90-L92 HydrophobicContact CB-CD2 4.23Å; L90-L92 HydrophobicContact CB-CG 4.32Å
91I94.1Very high91.5Very high0 Ų041.9 Ų41.90%024%0.235CC..EExtended strand (participates in β ladder)trans-93.9115.2178.9-47.6-57.5000108.7Y16 V42 V44 Y79 E80 I82Y16-I91 HydrophobicContact CD1-CG2 4.16Å; Y16-I91 HydrophobicContact CD2-CD1 3.76Å; Y16-I91 HydrophobicContact CD2-CG1 4.16Å; Y16-I91 HydrophobicContact CE1-CG1 4.44Å; Y16-I91 HydrophobicContact CE1-CG2 3.54Å; Y16-I91 HydrophobicContact CE2-CD1 3.87Å; Y16-I91 HydrophobicContact CE2-CG1 3.73Å; Y16-I91 HydrophobicContact CE2-CG2 4.35Å; Y16-I91 HydrophobicContact CG-CD1 4.12Å; V42-I91 HydrophobicContact CB-CG2 4Å; V42-I91 HydrophobicContact CG1-CG2 4.19Å; V42-I91 HydrophobicContact CG2-CG2 3.83Å; V44-I91 HydrophobicContact CB-CD1 4.38Å; V44-I91 HydrophobicContact CG1-CD1 3.91Å; V44-I91 HydrophobicContact CG2-CD1 3.7Å; Y79-I91 HydrophobicContact CD2-CG2 4.21Å; Y79-I91 PolarHBondContact N-O 3.06Å; E80-I91 HydrophobicContact CB-CB 3.96Å; E80-I91 HydrophobicContact CB-CG1 3.76Å; E80-I91 HydrophobicContact CG-CG1 4.42Å; E80-I91 PolarHBondContact O-N 3.08Å; I82-I91 HydrophobicContact CD1-CD1 4.32Å
92L93.1Very high91.6Very high10 Ų1044.7 Ų44.75%0.05225%0.249CC..EExtended strand (participates in β ladder)trans-123.3152.7-165.4-57.6178.9000112.4A43 K45 M67 V76 R77 L78 L90 L94A43-L92 HydrophobicContact CB-CB 4.2Å; A43-L92 PolarHBondContact N-O 3.09Å; A43-L92 PolarHBondContact O-N 3.16Å; K45-L92 HydrophobicContact CB-CD1 4.14Å; M67-L92 HydrophobicContact CE-CD1 4.47Å; M67-L92 HydrophobicContact CE-CD2 3.5Å; V76-L92 HydrophobicContact CG1-CB 3.98Å; R77-L92 CarbonylContact O-C 3.52Å; R77-L92 WeakPolarHBondContact O-CA 3.06Å; L78-L92 HydrophobicContact CB-CD2 4.21Å; L78-L92 HydrophobicContact CD1-CD2 3.67Å; L90-L92 HydrophobicContact CB-CD2 4.23Å; L90-L92 HydrophobicContact CB-CG 4.32Å; L92-L94 PolarHBondContact O-N 3.39Å
93E92Very high91.8Very high8 Ų845.8 Ų45.84%0.03725%0.252CS..  trans-58.4133.6170.1-165.9-171.7-179.900111.2V76 R77 Y79 F148 K155V76-E93 HydrophobicContact CG1-CB 4.11Å; R77-E93 HydrophobicContact CB-CB 4.17Å; R77-E93 PolarHBondContact O-N 3.12Å; Y79-E93 HydrophobicContact CE2-CB 4.17Å; Y79-E93 WeakPolarHBondContact OH-CG 3.44Å; E93-F148 HydrophobicContact CB-CZ 4.33Å; E93-F148 HydrophobicContact CG-CE1 3.58Å; E93-F148 HydrophobicContact CG-CZ 3.76Å; E93-F148 WeakPolarHBondContact OE1-CE1 3.28Å; E93-K155 IonicContact OE1-NZ 3.77Å; E93-K155 PolarHBondContact OE1-NZ 3.24Å; E93-K155 WeakPolarHBondContact OE2-CD 3.37Å; E93-K155 IonicContact OE2-NZ 2.79Å; E93-K155 PolarHBondContact OE2-NZ 2.79Å
94L92.8Very high92.1Very high43 Ų4342.1 Ų42.123%0.22523%0.232CC..  trans-99.6112.6-177.2-18069.3000111.3L22 L32 K41 A43 L92 F148L22-L94 HydrophobicContact CD1-CD1 3.72Å; L32-L94 HydrophobicContact CD1-CD1 4.49Å; L32-L94 HydrophobicContact CD1-CD2 3.44Å; L32-L94 VanDerWaalsContact CD1-CD2 3.44Å; K41-L94 HydrophobicContact CB-CD2 3.6Å; K41-L94 HydrophobicContact CD-CD2 4.34Å; A43-L94 HydrophobicContact CB-CD1 4.04Å; L92-L94 PolarHBondContact O-N 3.39Å; L94-F148 WeakPolarHBondContact O-CE1 3.16Å
95G91.7Very high92.3Very high18 Ų1843 Ų4319%0.18623%0.233CC..  trans-70.4157167.200000112.5F147 F148G95-F147 CarbonylContact C-O 3.58Å; G95-F147 WeakPolarHBondContact CA-O 3.48Å; G95-F148 VanDerWaalsContact CA-CZ 3.41Å; G95-F148 VanDerWaalsContact N-CZ 3.26Å
96D89.2Confident92.6Very high66 Ų6641 Ų4135%0.35322%0.222SC..SBendtrans-120.9-10.8-173.360.1-6.5000115.7F147 F148 E149 K150D96-F147 PolarHBondContact N-O 3.24Å; D96-F148 WeakPolarHBondContact OD1-CA 3.21Å; D96-E149 PolarHBondContact OD1-N 2.79Å; D96-K150 WeakPolarHBondContact OD2-CG 3.44Å; D96-K150 IonicContact OD2-NZ 2.85Å; D96-K150 PolarHBondContact OD2-NZ 2.84Å
97G89.4Confident93Very high32 Ų3240.7 Ų40.733%0.3322%0.215SC..SBendtrans-97.1-1.3176.700000116F147G97-F147 PolarHBondContact N-O 3.4Å; G97-F147 VanDerWaalsContact N-O 3.14Å
98G91.9Very high93.1Very high39 Ų3944.4 Ų44.440%0.40223%0.234SC..  trans85.7-161.8-171.200000112.9F147G98-F147 PolarHBondContact O-N 3.31Å
99D93.8Very high93.2Very high49 Ų4951 Ų5126%0.26226%0.264SS..BIsolated β-bridgetrans-101170.3177.766.377.4000113.5F101 D102 Y103 V145 F147D99-F101 WeakPolarHBondContact OD1-CA 3.4Å; D99-F101 VanDerWaalsContact OD1-CB 3.32Å; D99-F101 WeakPolarHBondContact OD1-CB 3.27Å; D99-F101 PolarHBondContact OD1-N 3.27Å; D99-D102 PolarHBondContact OD1-N 2.55Å; D99-Y103 PolarHBondContact O-N 2.83Å; D99-V145 CarbonylContact C-O 3.58Å; D99-V145 VanDerWaalsContact CA-O 3.3Å; D99-V145 WeakPolarHBondContact CA-O 3.4Å; D99-F147 WeakPolarHBondContact O-CE2 3.41Å
100M95.8Very high93.4Very high0 Ų050 Ų500%027%0.265CS..Hα-helixtrans-78.4-24.3-176.1-170.8168.4-76.700113.8Y103 I104 Y119 I123 P142 V145 F147 V154 I204 L208M100-Y103 PolarHBondContact O-N 3.3Å; M100-I104 HydrophobicContact CG-CD1 3.83Å; M100-I104 HydrophobicContact CG-CG1 4.24Å; M100-I104 WeakPolarHBondContact O-CB 3.45Å; M100-I104 VanDerWaalsContact O-CG1 3.23Å; M100-I104 WeakPolarHBondContact O-CG1 3.27Å; M100-I104 PolarHBondContact O-N 2.92Å; M100-Y119 HydrophobicContact CE-CD2 4.47Å; M100-Y119 HydrophobicContact CE-CG 4.16Å; M100-I123 HydrophobicContact CE-CD1 4.02Å; M100-I123 HydrophobicContact SD-CD1 3.8Å; M100-P142 HydrophobicContact CB-CB 4.07Å; M100-P142 WeakPolarHBondContact CB-O 3.05Å; M100-P142 HydrophobicContact CG-CB 4.25Å; M100-P142 PolarHBondContact N-O 3.32Å; M100-V145 HydrophobicContact CB-CB 3.87Å; M100-V145 HydrophobicContact CB-CG1 4.29Å; M100-V145 HydrophobicContact CE-CB 4.4Å; M100-V145 HydrophobicContact CE-CG1 3.66Å; M100-V145 PolarHBondContact N-O 3.29Å; M100-V145 HydrophobicContact SD-CB 4.21Å; M100-V145 HydrophobicContact SD-CG1 4.03Å; M100-F147 HydrophobicContact CB-CE2 4.23Å; M100-F147 HydrophobicContact CB-CZ 4.45Å; M100-F147 HydrophobicContact CE-CE1 4.25Å; M100-F147 HydrophobicContact CE-CZ 3.98Å; M100-F147 HydrophobicContact CG-CZ 4.41Å; M100-V154 HydrophobicContact CE-CB 4.28Å; M100-V154 HydrophobicContact CE-CG1 3.68Å; M100-I204 HydrophobicContact SD-CG2 4.45Å; M100-L208 HydrophobicContact CE-CD2 4.47Å; M100-L208 HydrophobicContact CG-CD2 4.29Å; M100-L208 HydrophobicContact SD-CD1 4.34Å; M100-L208 HydrophobicContact SD-CD2 3.83Å; M100-L208 HydrophobicContact SD-CG 4.32Å
101F94.6Very high93.6Very high64 Ų6450.4 Ų50.428%0.28127%0.268SS..Hα-helixtrans-65.2-53173.4-174.7-90.3000109.4D99 Y103 I104 M105 P142 E143 Y180 M207D99-F101 WeakPolarHBondContact OD1-CA 3.4Å; D99-F101 VanDerWaalsContact OD1-CB 3.32Å; D99-F101 WeakPolarHBondContact OD1-CB 3.27Å; D99-F101 PolarHBondContact OD1-N 3.27Å; F101-Y103 PolarHBondContact O-N 3.12Å; F101-Y103 VanDerWaalsContact O-N 3.15Å; F101-I104 PolarHBondContact O-N 3.11Å; F101-I104 VanDerWaalsContact O-N 3.1Å; F101-M105 HydrophobicContact CD1-CG 3.81Å; F101-M105 HydrophobicContact CE1-CG 3.47Å; F101-M105 VanDerWaalsContact CE1-CG 3.47Å; F101-M105 HydrophobicContact CE1-SD 4.04Å; F101-M105 HydrophobicContact CE2-CE 4.45Å; F101-M105 HydrophobicContact CZ-CE 4.35Å; F101-M105 HydrophobicContact CZ-CG 3.91Å; F101-M105 HydrophobicContact CZ-SD 3.88Å; F101-M105 WeakPolarHBondContact O-CG 3.25Å; F101-M105 PolarHBondContact O-N 3.19Å; F101-P142 HydrophobicContact CB-CB 3.95Å; F101-P142 PolarHBondContact N-O 3.46Å; F101-E143 HydrophobicContact CB-CG 3.81Å; F101-E143 HydrophobicContact CD2-CG 4.33Å; F101-E143 HydrophobicContact CG-CG 4.09Å; F101-Y180 WeakPolarHBondContact CD2-OH 3.09Å; F101-Y180 WeakPolarHBondContact CE2-OH 3.24Å; F101-M207 HydrophobicContact CD2-CE 4.15Å; F101-M207 HydrophobicContact CE2-CE 4.08Å
102D94Very high93.6Very high86 Ų8655.8 Ų55.846%0.4630%0.296SS..Hα-helixtrans-60.9-27.9-179.7-141.459000111.7D99 K106D99-D102 PolarHBondContact OD1-N 2.55Å; D102-K106 VanDerWaalsContact C-NZ 3.32Å; D102-K106 WeakPolarHBondContact O-CD 3.5Å; D102-K106 WeakPolarHBondContact O-CE 3.36Å; D102-K106 VanDerWaalsContact O-CG 3.32Å; D102-K106 WeakPolarHBondContact O-CG 3.44Å; D102-K106 PolarHBondContact O-NZ 2.85Å; D102-K106 IonicContact OD2-NZ 3.49Å; D102-K106 PolarHBondContact OD2-NZ 2.93Å
103Y95.3Very high93.7Very high53 Ų5357.1 Ų57.121%0.20830%0.302CS..Hα-helixtrans-79.2-40.5174-171-87000113.5D99 M100 F101 M105 K106 H107 L111 Y119 F147D99-Y103 PolarHBondContact O-N 2.83Å; M100-Y103 PolarHBondContact O-N 3.3Å; F101-Y103 PolarHBondContact O-N 3.12Å; F101-Y103 VanDerWaalsContact O-N 3.15Å; Y103-M105 VanDerWaalsContact C-N 3.34Å; Y103-K106 PolarHBondContact O-N 3.09Å; Y103-H107 AromaticContact CD1-CE1 3.92Å; Y103-H107 AromaticContact CD1-ND1 4Å; Y103-H107 AromaticContact CE1-CE1 3.45Å; Y103-H107 VanDerWaalsContact CE1-CE1 3.45Å; Y103-H107 WeakPolarHBondContact CE1-CE1 3.37Å; Y103-H107 AromaticContact CE1-ND1 3.91Å; Y103-H107 AromaticContact CZ-CE1 3.64Å; Y103-H107 PolarHBondContact O-ND1 3.01Å; Y103-L111 HydrophobicContact CD1-CD1 4.23Å; Y103-L111 HydrophobicContact CD1-CD2 4.26Å; Y103-L111 HydrophobicContact CD1-CG 4.5Å; Y103-L111 HydrophobicContact CE1-CD1 4.16Å; Y103-L111 HydrophobicContact CE1-CD2 3.78Å; Y103-L111 HydrophobicContact CE1-CG 3.97Å; Y103-Y119 HydrophobicContact CE1-CE2 4.3Å; Y103-F147 VanDerWaalsContact CB-CE2 3.4Å; Y103-F147 HydrophobicContact CD1-CE2 4.36Å; Y103-F147 AromaticContact CD1-CZ 3.94Å; Y103-F147 HydrophobicContact CD1-CZ 3.94Å; Y103-F147 AromaticContact CD2-CE2 3.96Å; Y103-F147 HydrophobicContact CD2-CE2 3.96Å; Y103-F147 HydrophobicContact CD2-CZ 4.05Å; Y103-F147 AromaticContact CG-CE2 3.67Å; Y103-F147 HydrophobicContact CG-CE2 3.67Å; Y103-F147 AromaticContact CG-CZ 3.69Å; Y103-F147 HydrophobicContact CG-CZ 3.69Å
104I95.9Very high93.8Very high0 Ų060.8 Ų60.80%032%0.322CS..Hα-helixtrans-65-40175.3-69167.1000110.2M100 F101 K106 H107 L111 P142 M207 L208M100-I104 HydrophobicContact CG-CD1 3.83Å; M100-I104 HydrophobicContact CG-CG1 4.24Å; M100-I104 WeakPolarHBondContact O-CB 3.45Å; M100-I104 VanDerWaalsContact O-CG1 3.23Å; M100-I104 WeakPolarHBondContact O-CG1 3.27Å; M100-I104 PolarHBondContact O-N 2.92Å; F101-I104 PolarHBondContact O-N 3.11Å; F101-I104 VanDerWaalsContact O-N 3.1Å; I104-K106 PolarHBondContact O-N 3.06Å; I104-K106 VanDerWaalsContact O-N 3.11Å; I104-H107 CarbonylContact O-C 3.36Å; I104-H107 WeakPolarHBondContact O-CA 3.48Å; I104-H107 PolarHBondContact O-N 3.35Å; I104-H107 VanDerWaalsContact O-O 3.06Å; I104-L111 HydrophobicContact CG1-CD1 4.16Å; I104-P142 HydrophobicContact CD1-CB 4.31Å; I104-P142 HydrophobicContact CD1-CG 4.36Å; I104-M207 HydrophobicContact CD1-CB 4.02Å; I104-M207 HydrophobicContact CG2-CB 4.44Å; I104-M207 WeakPolarHBondContact CG2-O 3.25Å; I104-L208 HydrophobicContact CD1-CD2 3.97Å; I104-L208 HydrophobicContact CD1-CG 4.11Å; I104-L208 HydrophobicContact CG1-CD2 4.21Å
105M93.6Very high93.8Very high73 Ų7361.2 Ų61.236%0.3632%0.324SS..THydrogen-bonded Turntrans-62.9-16.9176.2-66.1-62.797.900114.3F101 Y103 H107 G211F101-M105 HydrophobicContact CD1-CG 3.81Å; F101-M105 HydrophobicContact CE1-CG 3.47Å; F101-M105 VanDerWaalsContact CE1-CG 3.47Å; F101-M105 HydrophobicContact CE1-SD 4.04Å; F101-M105 HydrophobicContact CE2-CE 4.45Å; F101-M105 HydrophobicContact CZ-CE 4.35Å; F101-M105 HydrophobicContact CZ-CG 3.91Å; F101-M105 HydrophobicContact CZ-SD 3.88Å; F101-M105 WeakPolarHBondContact O-CG 3.25Å; F101-M105 PolarHBondContact O-N 3.19Å; Y103-M105 VanDerWaalsContact C-N 3.34Å; M105-H107 VanDerWaalsContact C-N 3.27Å; M105-G211 WeakPolarHBondContact CE-O 3.31Å
106K94.9Very high94Very high134 Ų13460.3 Ų60.358%0.58332%0.315SS*.THydrogen-bonded Turntrans-82.7-3.7171.8-65167.5-175.495.10112.8D102 Y103 I104D102-K106 VanDerWaalsContact C-NZ 3.32Å; D102-K106 WeakPolarHBondContact O-CD 3.5Å; D102-K106 WeakPolarHBondContact O-CE 3.36Å; D102-K106 VanDerWaalsContact O-CG 3.32Å; D102-K106 WeakPolarHBondContact O-CG 3.44Å; D102-K106 PolarHBondContact O-NZ 2.85Å; D102-K106 IonicContact OD2-NZ 3.49Å; D102-K106 PolarHBondContact OD2-NZ 2.93Å; Y103-K106 PolarHBondContact O-N 3.09Å; I104-K106 PolarHBondContact O-N 3.06Å; I104-K106 VanDerWaalsContact O-N 3.11Å
107H94.9Very high94.3Very high63 Ų6358.6 Ų58.629%0.29231%0.305SS..  trans-130.383-178.4-6087.2000108.9Y103 I104 M105 E109 G110 L111 G211Y103-H107 AromaticContact CD1-CE1 3.92Å; Y103-H107 AromaticContact CD1-ND1 4Å; Y103-H107 AromaticContact CE1-CE1 3.45Å; Y103-H107 VanDerWaalsContact CE1-CE1 3.45Å; Y103-H107 WeakPolarHBondContact CE1-CE1 3.37Å; Y103-H107 AromaticContact CE1-ND1 3.91Å; Y103-H107 AromaticContact CZ-CE1 3.64Å; Y103-H107 PolarHBondContact O-ND1 3.01Å; I104-H107 CarbonylContact O-C 3.36Å; I104-H107 WeakPolarHBondContact O-CA 3.48Å; I104-H107 PolarHBondContact O-N 3.35Å; I104-H107 VanDerWaalsContact O-O 3.06Å; M105-H107 VanDerWaalsContact C-N 3.27Å; H107-E109 PolarHBondContact O-N 3.16Å; H107-E109 VanDerWaalsContact O-N 3.16Å; H107-G110 WeakPolarHBondContact O-CA 3.5Å; H107-G110 PolarHBondContact O-N 3.28Å; H107-L111 HydrophobicContact CB-CD1 4.16Å; H107-G211 WeakPolarHBondContact O-CA 3.36Å
108E93Very high94.5Very high156 Ų15662.1 Ų62.173%0.72931%0.311SS*.THydrogen-bonded Turntrans-58.8-31.2-174.6-63.5-179171.900113.6Q212E108-Q212 PolarHBondContact O-NE2 2.92Å
109E93.4Very high94.6Very high140 Ų14061.8 Ų61.865%0.65430%0.298SS*.THydrogen-bonded Turntrans-93.16.9171.6-60.3-166.1176.800113.7H107 C210 R237H107-E109 PolarHBondContact O-N 3.16Å; H107-E109 VanDerWaalsContact O-N 3.16Å; E109-C210 CarbonylContact C-O 3.41Å; E109-C210 VanDerWaalsContact C-O 3.3Å; E109-R237 PolarHBondContact O-NH1 2.91Å; E109-R237 PolarHBondContact O-NH2 2.92Å
110G95.2Very high94.8Very high15 Ų1559.5 Ų59.516%0.15529%0.285CS..  trans78.6-179.9-176.800000114.2H107 G211H107-G110 WeakPolarHBondContact O-CA 3.5Å; H107-G110 PolarHBondContact O-N 3.28Å; G110-G211 VanDerWaalsContact CA-CA 3.49Å; G110-G211 VanDerWaalsContact CA-N 3.29Å; G110-G211 VanDerWaalsContact N-CA 3.31Å
111L96.3Very high94.7Very high10 Ų1059.7 Ų59.75%0.05229%0.287CS..  trans-83.3157.7-176.5-71.558.9000110.8Y103 I104 H107 E113 L115 A116 Y119 L208Y103-L111 HydrophobicContact CD1-CD1 4.23Å; Y103-L111 HydrophobicContact CD1-CD2 4.26Å; Y103-L111 HydrophobicContact CD1-CG 4.5Å; Y103-L111 HydrophobicContact CE1-CD1 4.16Å; Y103-L111 HydrophobicContact CE1-CD2 3.78Å; Y103-L111 HydrophobicContact CE1-CG 3.97Å; I104-L111 HydrophobicContact CG1-CD1 4.16Å; H107-L111 HydrophobicContact CB-CD1 4.16Å; L111-E113 PolarHBondContact O-N 3.07Å; L111-L115 HydrophobicContact CD2-CD2 4.25Å; L111-L115 HydrophobicContact CD2-CG 4.28Å; L111-A116 HydrophobicContact CB-CB 4.33Å; L111-Y119 HydrophobicContact CD2-CD2 3.84Å; L111-Y119 HydrophobicContact CD2-CE2 3.9Å; L111-L208 WeakPolarHBondContact CB-O 3.26Å; L111-L208 HydrophobicContact CD2-CD2 3.79Å; L111-L208 PolarHBondContact N-O 3.24Å
112N95.4Very high94.7Very high113 Ų11357 Ų5760%0.60428%0.275SS*.  trans-57.3136.2162.7176.8-80.7000110.5D114 L115 A116N112-D114 VanDerWaalsContact C-N 3.3Å; N112-D114 PolarHBondContact O-N 2.93Å; N112-D114 PolarHBondContact OD1-N 3.29Å; N112-L115 WeakPolarHBondContact O-CB 3.4Å; N112-L115 PolarHBondContact O-N 3.06Å; N112-A116 PolarHBondContact O-N 3.23Å
113E95.4Very high94.8Very high37 Ų3753 Ų5317%0.17325%0.254CS..Hα-helixtrans-57.5-35.6-174.7-79.3-171.1-142.900113.9L111 L115 A116 K117 V209 V238 S239 C242 W268L111-E113 PolarHBondContact O-N 3.07Å; E113-L115 PolarHBondContact O-N 3.39Å; E113-A116 PolarHBondContact O-N 2.89Å; E113-K117 WeakPolarHBondContact O-CB 3.4Å; E113-K117 PolarHBondContact O-N 2.88Å; E113-V209 HydrophobicContact CG-CG1 4.15Å; E113-V238 WeakPolarHBondContact OE1-CA 3.24Å; E113-S239 WeakPolarHBondContact OE1-CB 3.47Å; E113-S239 PolarHBondContact OE1-N 3.34Å; E113-S239 PolarHBondContact OE1-OG 2.81Å; E113-S239 WeakPolarHBondContact OE2-CB 3.5Å; E113-S239 PolarHBondContact OE2-OG 3.14Å; E113-C242 WeakPolarHBondContact OE2-CB 3.33Å; E113-W268 HydrophobicContact CB-CZ2 4.18Å; E113-W268 HydrophobicContact CG-CZ2 4.33Å; E113-W268 PolarHBondContact OE2-NE1 2.97Å
114D93.6Very high94.8Very high86 Ų8650.6 Ų50.646%0.4625%0.245SC..Hα-helixtrans-75.6-11.4178.7-70.4-42.9000113.6N112 K117 K118N112-D114 VanDerWaalsContact C-N 3.3Å; N112-D114 PolarHBondContact O-N 2.93Å; N112-D114 PolarHBondContact OD1-N 3.29Å; D114-K117 IonicContact OD1-NZ 3.94Å; D114-K117 PolarHBondContact OD1-NZ 3.38Å; D114-K118 VanDerWaalsContact O-CD 3.24Å; D114-K118 WeakPolarHBondContact O-CD 3.39Å; D114-K118 WeakPolarHBondContact O-CE 3.17Å; D114-K118 WeakPolarHBondContact O-CG 3.47Å; D114-K118 PolarHBondContact O-NZ 3.2Å
115L93.4Very high94.5Very high51 Ų5153 Ų5327%0.26726%0.256SS..Hα-helixtrans-90.2-47.6167-174.261.9000110.6L111 N112 E113 K117 K118 Y119L111-L115 HydrophobicContact CD2-CD2 4.25Å; L111-L115 HydrophobicContact CD2-CG 4.28Å; N112-L115 WeakPolarHBondContact O-CB 3.4Å; N112-L115 PolarHBondContact O-N 3.06Å; E113-L115 PolarHBondContact O-N 3.39Å; L115-K117 VanDerWaalsContact C-N 3.25Å; L115-K117 PolarHBondContact O-N 2.87Å; L115-K118 WeakPolarHBondContact O-CB 3.42Å; L115-K118 PolarHBondContact O-N 2.98Å; L115-Y119 HydrophobicContact CD1-CE2 3.74Å; L115-Y119 HydrophobicContact CD2-CE2 4.09Å; L115-Y119 HydrophobicContact CG-CD2 4.22Å; L115-Y119 HydrophobicContact CG-CE2 3.6Å; L115-Y119 PolarHBondContact O-N 3.46Å
116A95.9Very high94.4Very high0 Ų049.5 Ų49.50%024%0.239CC..Hα-helixtrans-53-43.8174.400000111.8L111 N112 E113 K118 Y119 F120 L208 V209 W268L111-A116 HydrophobicContact CB-CB 4.33Å; N112-A116 PolarHBondContact O-N 3.23Å; E113-A116 PolarHBondContact O-N 2.89Å; A116-K118 PolarHBondContact O-N 3.27Å; A116-Y119 PolarHBondContact O-N 3.09Å; A116-F120 VanDerWaalsContact O-CB 3.29Å; A116-F120 WeakPolarHBondContact O-CB 3.36Å; A116-F120 PolarHBondContact O-N 2.95Å; A116-L208 HydrophobicContact CB-CB 4.02Å; A116-V209 HydrophobicContact CB-CG1 3.83Å; A116-W268 HydrophobicContact CB-CH2 4.4Å
117K94.8Very high94.3Very high30 Ų3043.1 Ų43.113%0.1321%0.211CC..Hα-helixtrans-58.7-39.5176.7-170.1-172.4-62.8174.60113.2E113 D114 L115 A121 W268 L269 V272E113-K117 WeakPolarHBondContact O-CB 3.4Å; E113-K117 PolarHBondContact O-N 2.88Å; D114-K117 IonicContact OD1-NZ 3.94Å; D114-K117 PolarHBondContact OD1-NZ 3.38Å; L115-K117 VanDerWaalsContact C-N 3.25Å; L115-K117 PolarHBondContact O-N 2.87Å; K117-A121 VanDerWaalsContact O-CB 3.26Å; K117-A121 WeakPolarHBondContact O-CB 3.38Å; K117-A121 PolarHBondContact O-N 2.86Å; K117-W268 VanDerWaalsContact CA-CH2 3.45Å; K117-W268 HydrophobicContact CB-CH2 3.65Å; K117-W268 HydrophobicContact CB-CZ2 3.86Å; K117-W268 HydrophobicContact CB-CZ3 4.01Å; K117-W268 WeakPolarHBondContact CD-O 3.44Å; K117-W268 WeakPolarHBondContact CE-O 3.4Å; K117-W268 HydrophobicContact CG-CD2 4.44Å; K117-W268 HydrophobicContact CG-CE3 4.21Å; K117-W268 HydrophobicContact CG-CH2 4.19Å; K117-W268 HydrophobicContact CG-CZ2 4.39Å; K117-W268 HydrophobicContact CG-CZ3 4.09Å; K117-L269 HydrophobicContact CG-CD2 3.86Å; K117-V272 HydrophobicContact CD-CB 4.45Å; K117-V272 HydrophobicContact CD-CG2 3.46Å; K117-V272 VanDerWaalsContact CD-CG2 3.46Å; K117-V272 HydrophobicContact CG-CB 4.38Å; K117-V272 HydrophobicContact CG-CG2 3.75Å
118K93.1Very high94.1Very high105 Ų10540.3 Ų40.346%0.45720%0.198SC..Hα-helixtrans-69.5-35.9177.6-69.3166.1-171.6159.20112.7D114 L115 A116 Q122 V272D114-K118 VanDerWaalsContact O-CD 3.24Å; D114-K118 WeakPolarHBondContact O-CD 3.39Å; D114-K118 WeakPolarHBondContact O-CE 3.17Å; D114-K118 WeakPolarHBondContact O-CG 3.47Å; D114-K118 PolarHBondContact O-NZ 3.2Å; L115-K118 WeakPolarHBondContact O-CB 3.42Å; L115-K118 PolarHBondContact O-N 2.98Å; A116-K118 PolarHBondContact O-N 3.27Å; K118-Q122 WeakPolarHBondContact O-CG 3.45Å; K118-Q122 PolarHBondContact O-NE2 2.94Å; K118-V272 HydrophobicContact CG-CG1 4.25Å
119Y95.4Very high93.9Very high33 Ų3335.8 Ų35.813%0.12918%0.175CC..Hα-helixtrans-77.3-44.4175.1-61.6-40.2000111.3M100 Y103 L111 L115 A116 A121 Q122 I123 F147 V154M100-Y119 HydrophobicContact CE-CD2 4.47Å; M100-Y119 HydrophobicContact CE-CG 4.16Å; Y103-Y119 HydrophobicContact CE1-CE2 4.3Å; L111-Y119 HydrophobicContact CD2-CD2 3.84Å; L111-Y119 HydrophobicContact CD2-CE2 3.9Å; L115-Y119 HydrophobicContact CD1-CE2 3.74Å; L115-Y119 HydrophobicContact CD2-CE2 4.09Å; L115-Y119 HydrophobicContact CG-CD2 4.22Å; L115-Y119 HydrophobicContact CG-CE2 3.6Å; L115-Y119 PolarHBondContact O-N 3.46Å; A116-Y119 PolarHBondContact O-N 3.09Å; Y119-A121 PolarHBondContact O-N 3.32Å; Y119-Q122 WeakPolarHBondContact O-CB 3.44Å; Y119-Q122 PolarHBondContact O-N 3.33Å; Y119-I123 WeakPolarHBondContact O-CG1 3.41Å; Y119-I123 PolarHBondContact O-N 3.48Å; Y119-I123 VanDerWaalsContact O-N 3.09Å; Y119-F147 HydrophobicContact CD1-CE1 4.2Å; Y119-F147 HydrophobicContact CD2-CE1 4.39Å; Y119-F147 HydrophobicContact CE1-CD1 4.36Å; Y119-F147 AromaticContact CE1-CE1 3.76Å; Y119-F147 HydrophobicContact CE1-CE1 3.76Å; Y119-F147 AromaticContact CE2-CE1 3.96Å; Y119-F147 HydrophobicContact CE2-CE1 3.96Å; Y119-F147 HydrophobicContact CE2-CZ 4.39Å; Y119-F147 AromaticContact CZ-CE1 3.63Å; Y119-V154 HydrophobicContact CD1-CG1 3.58Å; Y119-V154 HydrophobicContact CD1-CG2 4.28Å; Y119-V154 HydrophobicContact CE1-CG1 4.03Å; Y119-V154 HydrophobicContact CG-CG1 4.19Å
120F96.9Very high93.6Very high0 Ų029.2 Ų29.20%015%0.145CC..Hα-helixtrans-63.1-40.8-179.9-169.5-110.8000112.5A116 Q122 I123 V124 L201 L205 L208 L245 M249 I263 W268 L269A116-F120 VanDerWaalsContact O-CB 3.29Å; A116-F120 WeakPolarHBondContact O-CB 3.36Å; A116-F120 PolarHBondContact O-N 2.95Å; F120-Q122 VanDerWaalsContact C-N 3.29Å; F120-Q122 PolarHBondContact O-N 3.16Å; F120-I123 PolarHBondContact O-N 3.02Å; F120-V124 HydrophobicContact CD1-CG2 3.92Å; F120-V124 HydrophobicContact CD2-CG2 4.5Å; F120-V124 HydrophobicContact CE1-CG2 3.47Å; F120-V124 VanDerWaalsContact CE1-CG2 3.47Å; F120-V124 HydrophobicContact CE2-CG2 4.09Å; F120-V124 HydrophobicContact CG-CG2 4.41Å; F120-V124 HydrophobicContact CZ-CG2 3.55Å; F120-V124 WeakPolarHBondContact O-CG2 3.36Å; F120-V124 PolarHBondContact O-N 3.46Å; F120-L201 HydrophobicContact CE2-CB 4.07Å; F120-L201 HydrophobicContact CE2-CD2 3.85Å; F120-L201 WeakPolarHBondContact CE2-O 3.14Å; F120-L201 HydrophobicContact CZ-CB 4.09Å; F120-L201 HydrophobicContact CZ-CD2 4.25Å; F120-L205 HydrophobicContact CB-CD1 4.34Å; F120-L205 HydrophobicContact CD1-CD1 4.11Å; F120-L205 HydrophobicContact CD1-CD2 4.33Å; F120-L205 HydrophobicContact CD2-CB 3.99Å; F120-L205 HydrophobicContact CD2-CD1 4.29Å; F120-L205 HydrophobicContact CE1-CD2 4.04Å; F120-L205 HydrophobicContact CE2-CB 3.79Å; F120-L205 HydrophobicContact CG-CB 4.47Å; F120-L205 HydrophobicContact CG-CD1 3.97Å; F120-L205 HydrophobicContact CZ-CB 4.09Å; F120-L205 HydrophobicContact CZ-CD2 4.27Å; F120-L208 HydrophobicContact CB-CD1 4.18Å; F120-L208 HydrophobicContact CD2-CD1 4.41Å; F120-L245 HydrophobicContact CE1-CD2 4.19Å; F120-M249 HydrophobicContact CE1-CE 4.01Å; F120-M249 HydrophobicContact CE2-CE 4.31Å; F120-M249 HydrophobicContact CZ-CE 3.47Å; F120-M249 VanDerWaalsContact CZ-CE 3.47Å; F120-M249 HydrophobicContact CZ-SD 3.85Å; F120-I263 HydrophobicContact CE1-CG2 4.29Å; F120-W268 HydrophobicContact CB-CZ3 4.38Å; F120-W268 HydrophobicContact CD1-CZ3 4.03Å; F120-L269 HydrophobicContact CD1-CD1 4.23Å; F120-L269 HydrophobicContact CD1-CD2 4.12Å; F120-L269 HydrophobicContact CE1-CD1 4.41Å
121A94.5Very high93.2Very high5 Ų529.5 Ų29.54%0.04114%0.142CC..Hα-helixtrans-59.8-38.5175.900000112.7K117 Y119 H125 L269 V272 P274K117-A121 VanDerWaalsContact O-CB 3.26Å; K117-A121 WeakPolarHBondContact O-CB 3.38Å; K117-A121 PolarHBondContact O-N 2.86Å; Y119-A121 PolarHBondContact O-N 3.32Å; A121-H125 VanDerWaalsContact O-CB 3.29Å; A121-H125 WeakPolarHBondContact O-CB 3.44Å; A121-H125 PolarHBondContact O-N 3.03Å; A121-L269 HydrophobicContact CB-CD2 3.95Å; A121-V272 HydrophobicContact CB-CG1 4.05Å; A121-P274 CarbonylContact C-O 3.57Å; A121-P274 HydrophobicContact CB-CB 4.49Å
122Q93.5Very high92.6Very high6 Ų634.9 Ų34.93%0.02817%0.165CC..Hα-helixtrans-67.9-39.1176.1-74.4176.174.300112.7N74 K118 Y119 F120 A126 L153 V154 P274N74-Q122 PolarHBondContact ND2-OE1 3.25Å; K118-Q122 WeakPolarHBondContact O-CG 3.45Å; K118-Q122 PolarHBondContact O-NE2 2.94Å; Y119-Q122 WeakPolarHBondContact O-CB 3.44Å; Y119-Q122 PolarHBondContact O-N 3.33Å; F120-Q122 VanDerWaalsContact C-N 3.29Å; F120-Q122 PolarHBondContact O-N 3.16Å; Q122-A126 WeakPolarHBondContact O-CB 3.5Å; Q122-A126 PolarHBondContact O-N 3.16Å; Q122-L153 VanDerWaalsContact OE1-CA 3.28Å; Q122-L153 VanDerWaalsContact OE1-CD2 3.29Å; Q122-V154 HydrophobicContact CB-CG2 3.61Å; Q122-V154 HydrophobicContact CG-CG2 4.41Å; Q122-V154 VanDerWaalsContact OE1-N 3.11Å; Q122-P274 VanDerWaalsContact CA-O 3.29Å; Q122-P274 WeakPolarHBondContact CA-O 3.28Å; Q122-P274 WeakPolarHBondContact CG-O 3.46Å; Q122-P274 PolarHBondContact N-O 3.28Å
123I95.8Very high91.9Very high2 Ų232.9 Ų32.91%0.0115%0.154CC..Hα-helixtrans-65.4-47.3175.1-64.5167.4000110M100 Y119 F120 H125 A126 I127 V145 V154 L156 L201 I204M100-I123 HydrophobicContact CE-CD1 4.02Å; M100-I123 HydrophobicContact SD-CD1 3.8Å; Y119-I123 WeakPolarHBondContact O-CG1 3.41Å; Y119-I123 PolarHBondContact O-N 3.48Å; Y119-I123 VanDerWaalsContact O-N 3.09Å; F120-I123 PolarHBondContact O-N 3.02Å; I123-H125 PolarHBondContact O-N 3.32Å; I123-A126 WeakPolarHBondContact O-CB 3.14Å; I123-A126 PolarHBondContact O-N 2.87Å; I123-I127 WeakPolarHBondContact O-CG1 3.36Å; I123-I127 PolarHBondContact O-N 3.19Å; I123-V145 HydrophobicContact CD1-CG1 4.07Å; I123-V145 HydrophobicContact CD1-CG2 4.27Å; I123-V145 HydrophobicContact CG1-CG1 4.11Å; I123-V154 HydrophobicContact CG1-CG2 4.27Å; I123-L156 HydrophobicContact CG2-CD2 4.24Å; I123-L201 HydrophobicContact CG2-CD2 3.5Å; I123-I204 HydrophobicContact CD1-CG2 3.99Å
124V94.9Very high91.3Very high3 Ų335.2 Ų35.22%0.01816%0.164CC..Hα-helixtrans-59.1-46175.7170.40000110.9F120 A126 I127 S128 L201 I263 E264F120-V124 HydrophobicContact CD1-CG2 3.92Å; F120-V124 HydrophobicContact CD2-CG2 4.5Å; F120-V124 HydrophobicContact CE1-CG2 3.47Å; F120-V124 VanDerWaalsContact CE1-CG2 3.47Å; F120-V124 HydrophobicContact CE2-CG2 4.09Å; F120-V124 HydrophobicContact CG-CG2 4.41Å; F120-V124 HydrophobicContact CZ-CG2 3.55Å; F120-V124 WeakPolarHBondContact O-CG2 3.36Å; F120-V124 PolarHBondContact O-N 3.46Å; V124-A126 VanDerWaalsContact C-N 3.3Å; V124-A126 PolarHBondContact O-N 2.86Å; V124-I127 PolarHBondContact O-N 3.04Å; V124-S128 WeakPolarHBondContact O-CB 3.47Å; V124-S128 PolarHBondContact O-N 2.7Å; V124-L201 HydrophobicContact CG2-CD1 4.46Å; V124-L201 HydrophobicContact CG2-CD2 4.21Å; V124-I263 HydrophobicContact CG1-CG2 3.97Å; V124-I263 HydrophobicContact CG2-CG2 3.86Å; V124-E264 HydrophobicContact CG1-CG 3.67Å
125H91.3Very high90.8Very high50 Ų5031.1 Ų31.123%0.23114%0.143CC..Hα-helixtrans-62.1-35.1178.5-171.352.5000112.8H72 A121 I123 Y129 P274 S275 T278H72-H125 VanDerWaalsContact CE1-C 3.48Å; H72-H125 AromaticContact CE1-CD2 2.84Å; H72-H125 PolarHBondContact CE1-CD2 3.24Å; H72-H125 AromaticContact CE1-CG 3.4Å; H72-H125 VanDerWaalsContact CE1-CG 3.4Å; H72-H125 AromaticContact NE2-CD2 2.67Å; H72-H125 PolarHBondContact NE2-CD2 3.03Å; H72-H125 AromaticContact NE2-CE1 3.75Å; H72-H125 AromaticContact NE2-CG 3Å; H72-H125 AromaticContact NE2-ND1 3.25Å; H72-H125 PolarHBondContact NE2-ND1 3.42Å; H72-H125 AromaticContact NE2-NE2 3.2Å; H72-H125 PolarHBondContact NE2-NE2 2.9Å; H72-H125 VanDerWaalsContact NE2-NE2 3.2Å; H72-H125 PolarHBondContact NE2-O 3.34Å; A121-H125 VanDerWaalsContact O-CB 3.29Å; A121-H125 WeakPolarHBondContact O-CB 3.44Å; A121-H125 PolarHBondContact O-N 3.03Å; I123-H125 PolarHBondContact O-N 3.32Å; H125-Y129 WeakPolarHBondContact O-CB 3.31Å; H125-Y129 PolarHBondContact O-N 3.33Å; H125-Y129 VanDerWaalsContact O-N 3.12Å; H125-P274 HydrophobicContact CB-CB 4.39Å; H125-S275 VanDerWaalsContact CD2-CB 3.47Å; H125-S275 WeakPolarHBondContact CD2-CB 3.19Å; H125-T278 WeakPolarHBondContact NE2-CB 3.34Å; H125-T278 WeakPolarHBondContact NE2-CG2 3.5Å; H125-T278 PolarHBondContact NE2-OG1 2.94Å
126A91.3Very high90.4Very high0 Ų028.7 Ų28.70%013%0.13CC..Hα-helixtrans-68.5-47.9173.600000112.5H72 N74 I75 Q122 I123 V124 S128 Y129 C130 L156H72-A126 PolarHBondContact CE1-N 3.5Å; H72-A126 VanDerWaalsContact CE1-N 3.35Å; N74-A126 HydrophobicContact CB-CB 4.01Å; I75-A126 HydrophobicContact CD1-CB 4.06Å; I75-A126 HydrophobicContact CG1-CB 3.79Å; Q122-A126 WeakPolarHBondContact O-CB 3.5Å; Q122-A126 PolarHBondContact O-N 3.16Å; I123-A126 WeakPolarHBondContact O-CB 3.14Å; I123-A126 PolarHBondContact O-N 2.87Å; V124-A126 VanDerWaalsContact C-N 3.3Å; V124-A126 PolarHBondContact O-N 2.86Å; A126-S128 VanDerWaalsContact C-N 3.35Å; A126-S128 PolarHBondContact O-N 2.82Å; A126-Y129 PolarHBondContact O-N 3.1Å; A126-C130 PolarHBondContact O-N 2.83Å; A126-C130 PolarHBondContact O-SG 3.33Å; A126-L156 HydrophobicContact CB-CD1 3.58Å; A126-L156 HydrophobicContact CB-CG 3.87Å
127I92.8Very high90.1Very high1 Ų128.7 Ų28.71%0.00513%0.13CC..Hα-helixtrans-65.1-39.6177.9-64.4-62.2000111.2I123 V124 Y129 C130 H131 H137 L140 L156 D197 L201 L260I123-I127 WeakPolarHBondContact O-CG1 3.36Å; I123-I127 PolarHBondContact O-N 3.19Å; V124-I127 PolarHBondContact O-N 3.04Å; I127-Y129 PolarHBondContact O-N 2.93Å; I127-C130 WeakPolarHBondContact O-CB 3.27Å; I127-C130 PolarHBondContact O-N 2.94Å; I127-H131 WeakPolarHBondContact CG2-NE2 3.4Å; I127-H131 WeakPolarHBondContact O-CB 3.24Å; I127-H131 PolarHBondContact O-CD2 2.97Å; I127-H131 PolarHBondContact O-N 3.2Å; I127-H137 HydrophobicContact CD1-CB 4.21Å; I127-L140 HydrophobicContact CD1-CD1 4.2Å; I127-L140 HydrophobicContact CD1-CD2 3.8Å; I127-L140 HydrophobicContact CG1-CD2 3.91Å; I127-L156 HydrophobicContact CD1-CD1 3.47Å; I127-L156 VanDerWaalsContact CD1-CD1 3.47Å; I127-L156 HydrophobicContact CG1-CD1 3.92Å; I127-D197 HydrophobicContact CG2-CB 4.22Å; I127-L201 HydrophobicContact CG1-CD2 4.33Å; I127-L201 HydrophobicContact CG2-CD1 4.28Å; I127-L260 HydrophobicContact CG2-CD1 4.05Å; I127-L260 HydrophobicContact CG2-CD2 4.38Å
128S90.3Very high89.7Confident3 Ų327.7 Ų27.72%0.02113%0.125CC..Hα-helixtrans-56-45.6172.4176.90000112.8V124 A126 K132 E264V124-S128 WeakPolarHBondContact O-CB 3.47Å; V124-S128 PolarHBondContact O-N 2.7Å; A126-S128 VanDerWaalsContact C-N 3.35Å; A126-S128 PolarHBondContact O-N 2.82Å; S128-K132 WeakPolarHBondContact O-CB 3.49Å; S128-K132 VanDerWaalsContact O-CD 3.31Å; S128-K132 WeakPolarHBondContact O-CD 2.99Å; S128-K132 VanDerWaalsContact O-CG 3.23Å; S128-K132 WeakPolarHBondContact O-CG 3.46Å; S128-K132 PolarHBondContact O-N 3.45Å; S128-K132 VanDerWaalsContact O-N 3.09Å; S128-K132 PolarHBondContact OG-NZ 2.97Å; S128-E264 WeakPolarHBondContact CB-OE1 3.45Å; S128-E264 VanDerWaalsContact OG-CD 3.26Å; S128-E264 PolarHBondContact OG-OE1 3.01Å; S128-E264 PolarHBondContact OG-OE2 3.06Å
129Y88.2Confident89.4Confident61 Ų6123.1 Ų23.124%0.23911%0.106CC..Hα-helixtrans-63.3-45.4172.8175-95.8000112.4V70 Q71 H72 I75 H125 A126 I127 K132 L133V70-Y129 HydrophobicContact CB-CE1 4.48Å; V70-Y129 HydrophobicContact CG1-CD1 4.21Å; V70-Y129 HydrophobicContact CG1-CE1 3.93Å; Q71-Y129 PolarHBondContact N-OH 2.63Å; Q71-Y129 PolarHBondContact O-OH 3.2Å; Q71-Y129 VanDerWaalsContact O-OH 3.06Å; H72-Y129 HydrophobicContact CB-CD1 3.71Å; H72-Y129 HydrophobicContact CB-CE1 3.84Å; H72-Y129 HydrophobicContact CB-CG 4.16Å; H72-Y129 VanDerWaalsContact CD2-CB 3.46Å; H72-Y129 WeakPolarHBondContact CD2-CB 3.39Å; H72-Y129 AromaticContact CD2-CD1 3.9Å; H72-Y129 AromaticContact CD2-CD2 3.76Å; H72-Y129 AromaticContact CD2-CG 3.43Å; H72-Y129 VanDerWaalsContact CD2-CG 3.43Å; I75-Y129 HydrophobicContact CD1-CD1 4.24Å; H125-Y129 WeakPolarHBondContact O-CB 3.31Å; H125-Y129 PolarHBondContact O-N 3.33Å; H125-Y129 VanDerWaalsContact O-N 3.12Å; A126-Y129 PolarHBondContact O-N 3.1Å; I127-Y129 PolarHBondContact O-N 2.93Å; Y129-K132 PolarHBondContact O-N 2.8Å; Y129-L133 HydrophobicContact CD1-CD1 4.21Å; Y129-L133 HydrophobicContact CE1-CD1 3.53Å; Y129-L133 HydrophobicContact CE2-CD1 4.22Å; Y129-L133 PolarHBondContact O-N 3.48Å; Y129-L133 VanDerWaalsContact O-N 3.16Å
130C87.9Confident89.2Confident2 Ų221.6 Ų21.61%0.01410%0.1CC..Hα-helixtrans-58.7-48.8176.2-72.20000112.4I75 A126 I127 K132 L133 H134 V135I75-C130 WeakPolarHBondContact CD1-SG 2.94Å; A126-C130 PolarHBondContact O-N 2.83Å; A126-C130 PolarHBondContact O-SG 3.33Å; I127-C130 WeakPolarHBondContact O-CB 3.27Å; I127-C130 PolarHBondContact O-N 2.94Å; C130-K132 VanDerWaalsContact C-N 3.34Å; C130-K132 PolarHBondContact O-N 2.85Å; C130-L133 CarbonylContact O-C 3.55Å; C130-L133 WeakPolarHBondContact O-CA 3.49Å; C130-L133 WeakPolarHBondContact O-CB 3.44Å; C130-L133 PolarHBondContact O-N 3.05Å; C130-H134 PolarHBondContact O-N 3.13Å; C130-V135 CarbonylContact C-O 3.38Å; C130-V135 HydrophobicContact CB-CB 4.26Å; C130-V135 WeakPolarHBondContact CB-O 3.48Å; C130-V135 PolarHBondContact O-N 3.31Å; C130-V135 VanDerWaalsContact O-O 3.11Å
131H86.7Confident89Confident21 Ų2122.7 Ų22.710%0.09711%0.105CC..Hα-helixtrans-64.8-37.8-177.9-75.1-159.3000111.7I127 L133 H134 V135 P194 D197 L260I127-H131 WeakPolarHBondContact CG2-NE2 3.4Å; I127-H131 WeakPolarHBondContact O-CB 3.24Å; I127-H131 PolarHBondContact O-CD2 2.97Å; I127-H131 PolarHBondContact O-N 3.2Å; H131-L133 PolarHBondContact O-N 2.88Å; H131-H134 WeakPolarHBondContact O-CA 3.23Å; H131-H134 PolarHBondContact O-N 3.02Å; H131-V135 PolarHBondContact CD2-O 3.17Å; H131-V135 VanDerWaalsContact CD2-O 3.31Å; H131-V135 PolarHBondContact N-O 2.93Å; H131-P194 VanDerWaalsContact CE1-CA 3.48Å; H131-P194 WeakPolarHBondContact CE1-CA 3.47Å; H131-D197 IonicContact CD2-OD2 2.83Å; H131-D197 IonicContact CE1-OD2 2.76Å; H131-D197 IonicContact NE2-OD2 2.71Å; H131-D197 PolarHBondContact NE2-OD2 3.32Å; H131-L260 HydrophobicContact CB-CD1 4.04Å; H131-L260 WeakPolarHBondContact ND1-CD1 3.13Å
132K84.2Confident89Confident124 Ų12422.4 Ų22.454%0.53910%0.103SC..Hα-helixtrans-64.4-26.1172.8-72.1162.7-176.1157.50112.6S128 Y129 C130 H134 E264S128-K132 WeakPolarHBondContact O-CB 3.49Å; S128-K132 VanDerWaalsContact O-CD 3.31Å; S128-K132 WeakPolarHBondContact O-CD 2.99Å; S128-K132 VanDerWaalsContact O-CG 3.23Å; S128-K132 WeakPolarHBondContact O-CG 3.46Å; S128-K132 PolarHBondContact O-N 3.45Å; S128-K132 VanDerWaalsContact O-N 3.09Å; S128-K132 PolarHBondContact OG-NZ 2.97Å; Y129-K132 PolarHBondContact O-N 2.8Å; C130-K132 VanDerWaalsContact C-N 3.34Å; C130-K132 PolarHBondContact O-N 2.85Å; K132-H134 VanDerWaalsContact C-N 3.34Å; K132-E264 IonicContact NZ-OE1 3.76Å; K132-E264 IonicContact NZ-OE2 3.45Å; K132-E264 PolarHBondContact NZ-OE2 3.31Å
133L80.2Confident88.9Confident70 Ų7025.1 Ų25.137%0.36612%0.115SC..THydrogen-bonded Turntrans-88.68.4169.3-65.8-176.6000114.4Y129 C130 H131 V135Y129-L133 HydrophobicContact CD1-CD1 4.21Å; Y129-L133 HydrophobicContact CE1-CD1 3.53Å; Y129-L133 HydrophobicContact CE2-CD1 4.22Å; Y129-L133 PolarHBondContact O-N 3.48Å; Y129-L133 VanDerWaalsContact O-N 3.16Å; C130-L133 CarbonylContact O-C 3.55Å; C130-L133 WeakPolarHBondContact O-CA 3.49Å; C130-L133 WeakPolarHBondContact O-CB 3.44Å; C130-L133 PolarHBondContact O-N 3.05Å; H131-L133 PolarHBondContact O-N 2.88Å; L133-V135 HydrophobicContact CB-CG2 4.34Å; L133-V135 PolarHBondContact O-N 2.63Å
134H81.8Confident88.8Confident86 Ų8625.7 Ų25.740%0.39812%0.118SC..THydrogen-bonded Turntrans60.926.9-175.2-58.982.5000114.6C130 H131 K132 K164 F165 P167C130-H134 PolarHBondContact O-N 3.13Å; H131-H134 WeakPolarHBondContact O-CA 3.23Å; H131-H134 PolarHBondContact O-N 3.02Å; K132-H134 VanDerWaalsContact C-N 3.34Å; H134-K164 CarbonylContact O-C 3.56Å; H134-K164 VanDerWaalsContact O-CA 3.28Å; H134-K164 WeakPolarHBondContact O-CA 3.39Å; H134-F165 VanDerWaalsContact C-CD1 3.46Å; H134-F165 VanDerWaalsContact C-CE1 3.44Å; H134-F165 VanDerWaalsContact CA-CE1 3.43Å; H134-F165 HydrophobicContact CB-CD1 4.41Å; H134-F165 HydrophobicContact CB-CE1 4.24Å; H134-F165 HydrophobicContact CB-CZ 4.45Å; H134-F165 AromaticContact CD2-CE2 3.95Å; H134-F165 WeakPolarHBondContact O-CD1 3.41Å; H134-F165 PolarHBondContact O-N 2.9Å; H134-P167 WeakPolarHBondContact NE2-CG 3.48Å
135V83.3Confident88.8Confident0 Ų025.5 Ų25.50%012%0.117CC..EExtended strand (participates in β ladder)trans-103.7132.1174.3-177.30000109.5C66 V70 C130 H131 L133 N163C66-V135 HydrophobicContact CB-CG1 4.33Å; V70-V135 HydrophobicContact CG2-CB 4.44Å; V70-V135 HydrophobicContact CG2-CG1 4.36Å; V70-V135 HydrophobicContact CG2-CG2 4.09Å; C130-V135 CarbonylContact C-O 3.38Å; C130-V135 HydrophobicContact CB-CB 4.26Å; C130-V135 WeakPolarHBondContact CB-O 3.48Å; C130-V135 PolarHBondContact O-N 3.31Å; C130-V135 VanDerWaalsContact O-O 3.11Å; H131-V135 PolarHBondContact CD2-O 3.17Å; H131-V135 VanDerWaalsContact CD2-O 3.31Å; H131-V135 PolarHBondContact N-O 2.93Å; L133-V135 HydrophobicContact CB-CG2 4.34Å; L133-V135 PolarHBondContact O-N 2.63Å; V135-N163 WeakPolarHBondContact CA-O 3.45Å
136V86.4Confident89Confident0 Ų024.5 Ų24.50%011%0.114CC..EExtended strand (participates in β ladder)trans-114.9149.8172.8-80.30000110.6R138 S162 N163 F165 A193 P194 D197V136-R138 HydrophobicContact CB-CG 4.14Å; V136-R138 HydrophobicContact CG2-CG 3.95Å; V136-S162 WeakPolarHBondContact O-CA 3.44Å; V136-S162 WeakPolarHBondContact O-CB 3.5Å; V136-N163 HydrophobicContact CG2-CB 4.28Å; V136-N163 VanDerWaalsContact CG2-O 3.31Å; V136-N163 WeakPolarHBondContact CG2-O 3.36Å; V136-N163 PolarHBondContact N-O 2.93Å; V136-N163 PolarHBondContact O-N 2.72Å; V136-F165 HydrophobicContact CB-CD1 4.4Å; V136-F165 HydrophobicContact CG1-CD1 3.53Å; V136-F165 HydrophobicContact CG1-CE1 3.82Å; V136-F165 HydrophobicContact CG1-CG 4.38Å; V136-F165 HydrophobicContact CG2-CB 4.49Å; V136-F165 HydrophobicContact CG2-CD1 4.24Å; V136-A193 HydrophobicContact CB-CB 4.3Å; V136-A193 HydrophobicContact CG1-CB 3.92Å; V136-A193 HydrophobicContact CG2-CB 3.89Å; V136-P194 HydrophobicContact CG1-CG 4.17Å; V136-D197 WeakPolarHBondContact CA-OD2 3.49Å
137H88.9Confident89.1Confident1 Ų124.9 Ų24.91%0.00512%0.116CC..  trans-86.1-48.7-175.6-154.5-83.5000112.6I127 D139 L140 T157 D158 F159 F161 S162 D197I127-H137 HydrophobicContact CD1-CB 4.21Å; H137-D139 PolarHBondContact CE1-O 3.42Å; H137-D139 VanDerWaalsContact ND1-C 3.34Å; H137-D139 PolarHBondContact ND1-O 2.89Å; H137-D139 PolarHBondContact O-N 3.39Å; H137-L140 HydrophobicContact CB-CB 4.28Å; H137-T157 PolarHBondContact CE1-O 2.69Å; H137-T157 PolarHBondContact NE2-O 2.76Å; H137-D158 PolarHBondContact CE1-O 2.86Å; H137-F159 AromaticContact CD2-CD1 3.91Å; H137-F159 AromaticContact CD2-CE1 3.66Å; H137-F159 AromaticContact CD2-CZ 3.93Å; H137-F161 CarbonylContact O-C 3.57Å; H137-S162 PolarHBondContact O-N 2.77Å; H137-D197 WeakPolarHBondContact CB-OD1 3.49Å; H137-D197 PolarHBondContact N-OD1 2.96Å; H137-D197 PolarHBondContact N-OD2 2.77Å
138R86.6Confident89Confident9 Ų925 Ų253%0.03412%0.117CC..SBendtrans60.9-9.4178.2-49.2-168.6-60.31580117.8V136 F161 Y191 D197V136-R138 HydrophobicContact CB-CG 4.14Å; V136-R138 HydrophobicContact CG2-CG 3.95Å; R138-F161 PolarHBondContact NE-O 3.44Å; R138-F161 PolarHBondContact NH2-O 2.93Å; R138-Y191 PolarHBondContact NH1-OH 2.95Å; R138-D197 PolarHBondContact N-OD1 3.2Å
139D86.6Confident88.8Confident8 Ų831.5 Ų31.54%0.04315%0.146CC..SBendtrans-132.458.3166.6-178.143.8000109.1H137 K141 N144 F161H137-D139 PolarHBondContact CE1-O 3.42Å; H137-D139 VanDerWaalsContact ND1-C 3.34Å; H137-D139 PolarHBondContact ND1-O 2.89Å; H137-D139 PolarHBondContact O-N 3.39Å; D139-K141 IonicContact OD1-NZ 3.89Å; D139-K141 PolarHBondContact OD1-NZ 3.43Å; D139-K141 IonicContact OD2-NZ 3.14Å; D139-K141 PolarHBondContact OD2-NZ 3.09Å; D139-N144 PolarHBondContact O-ND2 3.13Å; D139-N144 PolarHBondContact OD2-ND2 3.24Å; D139-F161 HydrophobicContact CB-CB 3.8Å; D139-F161 HydrophobicContact CB-CD2 3.44Å; D139-F161 VanDerWaalsContact CB-CD2 3.44Å; D139-F161 HydrophobicContact CB-CE2 4.33Å; D139-F161 HydrophobicContact CB-CG 3.91Å
140L91.6Very high88.4Confident1 Ų136 Ų361%0.00517%0.168CC..  trans-89120.5179.4-178.563.8000109.5I127 H137 L156 S200 L201 I204I127-L140 HydrophobicContact CD1-CD1 4.2Å; I127-L140 HydrophobicContact CD1-CD2 3.8Å; I127-L140 HydrophobicContact CG1-CD2 3.91Å; H137-L140 HydrophobicContact CB-CB 4.28Å; L140-L156 HydrophobicContact CD1-CD2 4.01Å; L140-S200 VanDerWaalsContact O-CB 3.29Å; L140-S200 WeakPolarHBondContact O-CB 3.16Å; L140-L201 HydrophobicContact CD2-CD2 3.92Å; L140-L201 HydrophobicContact CD2-CG 3.9Å; L140-I204 HydrophobicContact CD1-CD1 4.1Å; L140-I204 HydrophobicContact CD2-CD1 4.38Å; L140-I204 HydrophobicContact CG-CD1 3.76Å
141K92.4Very high87.9Confident23 Ų2337.7 Ų37.710%0.118%0.175CC..  trans-159.5160.1-175.761-178.2177.9-128.40110.7D139 E143 N144 Y180D139-K141 IonicContact OD1-NZ 3.89Å; D139-K141 PolarHBondContact OD1-NZ 3.43Å; D139-K141 IonicContact OD2-NZ 3.14Å; D139-K141 PolarHBondContact OD2-NZ 3.09Å; K141-E143 VanDerWaalsContact C-N 3.26Å; K141-E143 VanDerWaalsContact CB-OE2 3.25Å; K141-E143 WeakPolarHBondContact CB-OE2 3.37Å; K141-E143 HydrophobicContact CD-CB 4.36Å; K141-E143 WeakPolarHBondContact CD-OE2 3.47Å; K141-E143 HydrophobicContact CG-CB 4.27Å; K141-E143 WeakPolarHBondContact CG-OE2 3.39Å; K141-E143 PolarHBondContact O-N 3.12Å; K141-N144 HydrophobicContact CG-CB 4.17Å; K141-N144 PolarHBondContact O-N 3.3Å; K141-Y180 HydrophobicContact CB-CD1 3.83Å; K141-Y180 HydrophobicContact CB-CD2 3.7Å; K141-Y180 HydrophobicContact CB-CE1 4Å; K141-Y180 HydrophobicContact CB-CE2 3.84Å; K141-Y180 HydrophobicContact CB-CG 3.68Å; K141-Y180 HydrophobicContact CD-CD2 3.98Å; K141-Y180 HydrophobicContact CD-CE2 3.94Å
142P93.8Very high87.6Confident0 Ų039.1 Ų39.10%020%0.195CC..G310 helixtrans-57.5-32.2-176.4-24.434.6000114.7M100 F101 I104 N144 V145 Y180 I204 M207M100-P142 HydrophobicContact CB-CB 4.07Å; M100-P142 WeakPolarHBondContact CB-O 3.05Å; M100-P142 HydrophobicContact CG-CB 4.25Å; M100-P142 PolarHBondContact N-O 3.32Å; F101-P142 HydrophobicContact CB-CB 3.95Å; F101-P142 PolarHBondContact N-O 3.46Å; I104-P142 HydrophobicContact CD1-CB 4.31Å; I104-P142 HydrophobicContact CD1-CG 4.36Å; P142-N144 PolarHBondContact O-N 2.86Å; P142-V145 PolarHBondContact O-N 3Å; P142-Y180 HydrophobicContact CG-CE1 4.15Å; P142-I204 HydrophobicContact CG-CG1 4.12Å; P142-M207 HydrophobicContact CG-CE 4.16Å; P142-M207 HydrophobicContact CG-SD 3.99Å
143E92Very high87.8Confident63 Ų6333.8 Ų33.829%0.29417%0.173SC..G310 helixtrans-60.5-29.3175-55.888.4146.100111.9F101 K141 V145 Y180F101-E143 HydrophobicContact CB-CG 3.81Å; F101-E143 HydrophobicContact CD2-CG 4.33Å; F101-E143 HydrophobicContact CG-CG 4.09Å; K141-E143 VanDerWaalsContact C-N 3.26Å; K141-E143 VanDerWaalsContact CB-OE2 3.25Å; K141-E143 WeakPolarHBondContact CB-OE2 3.37Å; K141-E143 HydrophobicContact CD-CB 4.36Å; K141-E143 WeakPolarHBondContact CD-OE2 3.47Å; K141-E143 HydrophobicContact CG-CB 4.27Å; K141-E143 WeakPolarHBondContact CG-OE2 3.39Å; K141-E143 PolarHBondContact O-N 3.12Å; E143-V145 VanDerWaalsContact C-N 3.32Å; E143-Y180 WeakPolarHBondContact OE1-CE2 3.22Å; E143-Y180 PolarHBondContact OE1-OH 3.07Å; E143-Y180 PolarHBondContact OE2-OH 3.21Å; E143-Y180 VanDerWaalsContact OE2-OH 3.06Å
144N93.2Very high88.5Confident13 Ų1330.6 Ų30.67%0.0716%0.156CC..G310 helixtrans-92.413.7178.5-68.6-7.2000112.3D139 K141 P142 T157D139-N144 PolarHBondContact O-ND2 3.13Å; D139-N144 PolarHBondContact OD2-ND2 3.24Å; K141-N144 HydrophobicContact CG-CB 4.17Å; K141-N144 PolarHBondContact O-N 3.3Å; P142-N144 PolarHBondContact O-N 2.86Å; N144-T157 PolarHBondContact O-N 3.37Å
145V95.4Very high89Confident0 Ų026.8 Ų26.80%014%0.138CC..EExtended strand (participates in β ladder)trans-120.4117.3173.9-171.10000109.7D99 M100 I123 P142 E143 V154 L156 I204D99-V145 CarbonylContact C-O 3.58Å; D99-V145 VanDerWaalsContact CA-O 3.3Å; D99-V145 WeakPolarHBondContact CA-O 3.4Å; M100-V145 HydrophobicContact CB-CB 3.87Å; M100-V145 HydrophobicContact CB-CG1 4.29Å; M100-V145 HydrophobicContact CE-CB 4.4Å; M100-V145 HydrophobicContact CE-CG1 3.66Å; M100-V145 PolarHBondContact N-O 3.29Å; M100-V145 HydrophobicContact SD-CB 4.21Å; M100-V145 HydrophobicContact SD-CG1 4.03Å; I123-V145 HydrophobicContact CD1-CG1 4.07Å; I123-V145 HydrophobicContact CD1-CG2 4.27Å; I123-V145 HydrophobicContact CG1-CG1 4.11Å; P142-V145 PolarHBondContact O-N 3Å; E143-V145 VanDerWaalsContact C-N 3.32Å; V145-V154 HydrophobicContact CG1-CB 3.94Å; V145-V154 HydrophobicContact CG1-CG1 4.49Å; V145-V154 HydrophobicContact CG1-CG2 4.49Å; V145-L156 HydrophobicContact CG1-CD2 4.5Å; V145-L156 HydrophobicContact CG2-CD2 3.83Å; V145-I204 HydrophobicContact CG2-CD1 4.5Å
146V95.2Very high89.5Confident28 Ų2826.9 Ų26.917%0.1714%0.139CC..EExtended strand (participates in β ladder)trans-112138.2-170.8-1790000111.7F148 V154 K155 T157V146-F148 HydrophobicContact CB-CE2 4.45Å; V146-F148 HydrophobicContact CG1-CE2 4.15Å; V146-V154 CarbonylContact O-C 3.5Å; V146-V154 WeakPolarHBondContact O-CA 3.49Å; V146-K155 PolarHBondContact N-O 3.46Å; V146-K155 PolarHBondContact O-N 3.27Å; V146-T157 HydrophobicContact CG2-CG2 3.68Å
147F93.7Very high89.7Confident9 Ų928.1 Ų28.14%0.03915%0.146CC..EExtended strand (participates in β ladder)trans-82.9133.4177.1-70.6-76.4000113.6G95 D96 G97 G98 D99 M100 Y103 Y119 V154G95-F147 CarbonylContact C-O 3.58Å; G95-F147 WeakPolarHBondContact CA-O 3.48Å; D96-F147 PolarHBondContact N-O 3.24Å; G97-F147 PolarHBondContact N-O 3.4Å; G97-F147 VanDerWaalsContact N-O 3.14Å; G98-F147 PolarHBondContact O-N 3.31Å; D99-F147 WeakPolarHBondContact O-CE2 3.41Å; M100-F147 HydrophobicContact CB-CE2 4.23Å; M100-F147 HydrophobicContact CB-CZ 4.45Å; M100-F147 HydrophobicContact CE-CE1 4.25Å; M100-F147 HydrophobicContact CE-CZ 3.98Å; M100-F147 HydrophobicContact CG-CZ 4.41Å; Y103-F147 VanDerWaalsContact CB-CE2 3.4Å; Y103-F147 HydrophobicContact CD1-CE2 4.36Å; Y103-F147 AromaticContact CD1-CZ 3.94Å; Y103-F147 HydrophobicContact CD1-CZ 3.94Å; Y103-F147 AromaticContact CD2-CE2 3.96Å; Y103-F147 HydrophobicContact CD2-CE2 3.96Å; Y103-F147 HydrophobicContact CD2-CZ 4.05Å; Y103-F147 AromaticContact CG-CE2 3.67Å; Y103-F147 HydrophobicContact CG-CE2 3.67Å; Y103-F147 AromaticContact CG-CZ 3.69Å; Y103-F147 HydrophobicContact CG-CZ 3.69Å; Y119-F147 HydrophobicContact CD1-CE1 4.2Å; Y119-F147 HydrophobicContact CD2-CE1 4.39Å; Y119-F147 HydrophobicContact CE1-CD1 4.36Å; Y119-F147 AromaticContact CE1-CE1 3.76Å; Y119-F147 HydrophobicContact CE1-CE1 3.76Å; Y119-F147 AromaticContact CE2-CE1 3.96Å; Y119-F147 HydrophobicContact CE2-CE1 3.96Å; Y119-F147 HydrophobicContact CE2-CZ 4.39Å; Y119-F147 AromaticContact CZ-CE1 3.63Å; F147-V154 HydrophobicContact CD1-CG1 3.45Å; F147-V154 VanDerWaalsContact CD1-CG1 3.45Å; F147-V154 HydrophobicContact CE1-CG1 3.42Å; F147-V154 VanDerWaalsContact CE1-CG1 3.42Å; F147-V154 HydrophobicContact CG-CG1 4.35Å; F147-V154 HydrophobicContact CZ-CG1 4.32Å
148F90.1Very high89.3Confident4 Ų430.3 Ų30.32%0.01816%0.158CC..EExtended strand (participates in β ladder)trans-112.574.7166.9-75.2-100.5000107V76 E93 L94 G95 D96 V146 K150 Q151 G152 L153 K155V76-F148 HydrophobicContact CG2-CE2 4.22Å; V76-F148 HydrophobicContact CG2-CZ 4.44Å; E93-F148 HydrophobicContact CB-CZ 4.33Å; E93-F148 HydrophobicContact CG-CE1 3.58Å; E93-F148 HydrophobicContact CG-CZ 3.76Å; E93-F148 WeakPolarHBondContact OE1-CE1 3.28Å; L94-F148 WeakPolarHBondContact O-CE1 3.16Å; G95-F148 VanDerWaalsContact CA-CZ 3.41Å; G95-F148 VanDerWaalsContact N-CZ 3.26Å; D96-F148 WeakPolarHBondContact OD1-CA 3.21Å; V146-F148 HydrophobicContact CB-CE2 4.45Å; V146-F148 HydrophobicContact CG1-CE2 4.15Å; F148-K150 VanDerWaalsContact C-N 3.34Å; F148-K150 PolarHBondContact O-N 3.37Å; F148-Q151 HydrophobicContact CB-CB 4.15Å; F148-Q151 HydrophobicContact CB-CG 4.32Å; F148-Q151 CarbonylContact O-C 3.3Å; F148-Q151 WeakPolarHBondContact O-CA 3.38Å; F148-Q151 WeakPolarHBondContact O-CB 3.39Å; F148-Q151 PolarHBondContact O-N 3.17Å; F148-G152 PolarHBondContact O-N 3.02Å; F148-L153 HydrophobicContact CB-CB 4.3Å; F148-L153 PolarHBondContact N-O 2.91Å; F148-L153 PolarHBondContact O-N 2.94Å; F148-L153 VanDerWaalsContact O-N 3.16Å; F148-K155 HydrophobicContact CD2-CB 4.03Å; F148-K155 HydrophobicContact CD2-CD 3.67Å; F148-K155 HydrophobicContact CD2-CG 3.5Å; F148-K155 HydrophobicContact CE1-CD 4.42Å; F148-K155 HydrophobicContact CE2-CB 3.83Å; F148-K155 HydrophobicContact CE2-CD 3.54Å; F148-K155 HydrophobicContact CE2-CG 3.67Å; F148-K155 HydrophobicContact CG-CD 4.17Å; F148-K155 HydrophobicContact CG-CG 4.27Å; F148-K155 HydrophobicContact CZ-CD 3.93Å
149E86Confident88.7Confident138 Ų13830 Ų3065%0.64516%0.157SC*.G310 helixtrans-63.5-40.2-163-170.4175.2-136.100111.2D96 Q151 G152D96-E149 PolarHBondContact OD1-N 2.79Å; E149-Q151 PolarHBondContact O-N 3.43Å; E149-G152 PolarHBondContact O-N 2.62Å
150K80.6Confident87.5Confident157 Ų15730.6 Ų30.668%0.68317%0.165SC*.G310 helixtrans-64.1-24.9173.9-65.5-170.8-166.692.30114.3D96 F148D96-K150 WeakPolarHBondContact OD2-CG 3.44Å; D96-K150 IonicContact OD2-NZ 2.85Å; D96-K150 PolarHBondContact OD2-NZ 2.84Å; F148-K150 VanDerWaalsContact C-N 3.34Å; F148-K150 PolarHBondContact O-N 3.37Å
151Q76.9Confident85.9Confident37 Ų3735 Ų3517%0.17318%0.184CC..G310 helixtrans-90.2-13.3176.4-58.817611.400111.5F148 E149 L153F148-Q151 HydrophobicContact CB-CB 4.15Å; F148-Q151 HydrophobicContact CB-CG 4.32Å; F148-Q151 CarbonylContact O-C 3.3Å; F148-Q151 WeakPolarHBondContact O-CA 3.38Å; F148-Q151 WeakPolarHBondContact O-CB 3.39Å; F148-Q151 PolarHBondContact O-N 3.17Å; E149-Q151 PolarHBondContact O-N 3.43Å; Q151-L153 HydrophobicContact CB-CB 4.24Å; Q151-L153 HydrophobicContact CB-CD1 4.02Å; Q151-L153 HydrophobicContact CB-CG 3.91Å
152G81.1Confident84.7Confident50 Ų5034.2 Ų34.252%0.51518%0.181SC..THydrogen-bonded Turntrans69.919-169.700000113.9F148 E149F148-G152 PolarHBondContact O-N 3.02Å; E149-G152 PolarHBondContact O-N 2.62Å
153L88.9Confident83.4Confident13 Ų1336 Ų367%0.06819%0.191CC..EExtended strand (participates in β ladder)trans-112.2156.7-171.2-59.7179.5000113.1Q122 F148 Q151 A277Q122-L153 VanDerWaalsContact OE1-CA 3.28Å; Q122-L153 VanDerWaalsContact OE1-CD2 3.29Å; F148-L153 HydrophobicContact CB-CB 4.3Å; F148-L153 PolarHBondContact N-O 2.91Å; F148-L153 PolarHBondContact O-N 2.94Å; F148-L153 VanDerWaalsContact O-N 3.16Å; Q151-L153 HydrophobicContact CB-CB 4.24Å; Q151-L153 HydrophobicContact CB-CD1 4.02Å; Q151-L153 HydrophobicContact CB-CG 3.91Å; L153-A277 HydrophobicContact CD1-CB 4.01Å; L153-A277 HydrophobicContact CD2-CB 4.27Å
154V93.8Very high82.1Confident2 Ų237 Ų371%0.01219%0.194CC..EExtended strand (participates in β ladder)trans-114.6144.6162.6-69.90000109.9N74 M100 Y119 Q122 I123 V145 V146 F147N74-V154 WeakPolarHBondContact CB-O 3.08Å; N74-V154 PolarHBondContact ND2-O 3.43Å; M100-V154 HydrophobicContact CE-CB 4.28Å; M100-V154 HydrophobicContact CE-CG1 3.68Å; Y119-V154 HydrophobicContact CD1-CG1 3.58Å; Y119-V154 HydrophobicContact CD1-CG2 4.28Å; Y119-V154 HydrophobicContact CE1-CG1 4.03Å; Y119-V154 HydrophobicContact CG-CG1 4.19Å; Q122-V154 HydrophobicContact CB-CG2 3.61Å; Q122-V154 HydrophobicContact CG-CG2 4.41Å; Q122-V154 VanDerWaalsContact OE1-N 3.11Å; I123-V154 HydrophobicContact CG1-CG2 4.27Å; V145-V154 HydrophobicContact CG1-CB 3.94Å; V145-V154 HydrophobicContact CG1-CG1 4.49Å; V145-V154 HydrophobicContact CG1-CG2 4.49Å; V146-V154 CarbonylContact O-C 3.5Å; V146-V154 WeakPolarHBondContact O-CA 3.49Å; F147-V154 HydrophobicContact CD1-CG1 3.45Å; F147-V154 VanDerWaalsContact CD1-CG1 3.45Å; F147-V154 HydrophobicContact CE1-CG1 3.42Å; F147-V154 VanDerWaalsContact CE1-CG1 3.42Å; F147-V154 HydrophobicContact CG-CG1 4.35Å; F147-V154 HydrophobicContact CZ-CG1 4.32Å
155K93.2Very high80.9Confident7 Ų737.5 Ų37.53%0.0320%0.196CC..EExtended strand (participates in β ladder)trans-132.7139.5180-53.7-164.1-170.5-169.30112.7P73 N74 V76 E93 V146 F148P73-K155 WeakPolarHBondContact O-CD 3.46Å; P73-K155 WeakPolarHBondContact O-CE 3.44Å; N74-K155 CarbonylContact O-C 3.13Å; N74-K155 VanDerWaalsContact O-CA 3.25Å; N74-K155 WeakPolarHBondContact O-CA 3.46Å; V76-K155 HydrophobicContact CG2-CB 3.93Å; E93-K155 IonicContact OE1-NZ 3.77Å; E93-K155 PolarHBondContact OE1-NZ 3.24Å; E93-K155 WeakPolarHBondContact OE2-CD 3.37Å; E93-K155 IonicContact OE2-NZ 2.79Å; E93-K155 PolarHBondContact OE2-NZ 2.79Å; V146-K155 PolarHBondContact N-O 3.46Å; V146-K155 PolarHBondContact O-N 3.27Å; F148-K155 HydrophobicContact CD2-CB 4.03Å; F148-K155 HydrophobicContact CD2-CD 3.67Å; F148-K155 HydrophobicContact CD2-CG 3.5Å; F148-K155 HydrophobicContact CE1-CD 4.42Å; F148-K155 HydrophobicContact CE2-CB 3.83Å; F148-K155 HydrophobicContact CE2-CD 3.54Å; F148-K155 HydrophobicContact CE2-CG 3.67Å; F148-K155 HydrophobicContact CG-CD 4.17Å; F148-K155 HydrophobicContact CG-CG 4.27Å; F148-K155 HydrophobicContact CZ-CD 3.93Å
156L93.4Very high79.4Confident2 Ų242.9 Ų42.91%0.0122%0.221CC..EExtended strand (participates in β ladder)trans-73.8144.9172.7-55.5-174.1000111.7N74 I75 V76 I123 A126 I127 L140 V145 F159N74-L156 PolarHBondContact O-N 2.97Å; I75-L156 HydrophobicContact CG1-CB 4.35Å; V76-L156 WeakPolarHBondContact CB-O 3.32Å; V76-L156 WeakPolarHBondContact CG2-O 3.27Å; V76-L156 PolarHBondContact N-O 2.97Å; I123-L156 HydrophobicContact CG2-CD2 4.24Å; A126-L156 HydrophobicContact CB-CD1 3.58Å; A126-L156 HydrophobicContact CB-CG 3.87Å; I127-L156 HydrophobicContact CD1-CD1 3.47Å; I127-L156 VanDerWaalsContact CD1-CD1 3.47Å; I127-L156 HydrophobicContact CG1-CD1 3.92Å; L140-L156 HydrophobicContact CD1-CD2 4.01Å; V145-L156 HydrophobicContact CG1-CD2 4.5Å; V145-L156 HydrophobicContact CG2-CD2 3.83Å; L156-F159 HydrophobicContact CB-CZ 4.44Å
157T90.3Very high78.2Confident26 Ų2646 Ų4616%0.1624%0.242CC..  trans-140.8174.3176.9-162.70000111.7H137 N144 V146H137-T157 PolarHBondContact CE1-O 2.69Å; H137-T157 PolarHBondContact NE2-O 2.76Å; N144-T157 PolarHBondContact O-N 3.37Å; V146-T157 HydrophobicContact CG2-CG2 3.68Å
158D80.2Confident76.8Confident46 Ų4649.5 Ų49.525%0.24628%0.28CS..  trans55.270.9178.6-147.8-27.7000115.6K45 H137 G160K45-D158 VanDerWaalsContact NZ-CG 3.34Å; K45-D158 IonicContact NZ-OD1 3.91Å; K45-D158 PolarHBondContact NZ-OD1 2.97Å; K45-D158 IonicContact NZ-OD2 3.39Å; K45-D158 PolarHBondContact NZ-OD2 3.2Å; H137-D158 PolarHBondContact CE1-O 2.86Å; D158-G160 PolarHBondContact O-N 3.34Å; D158-G160 PolarHBondContact OD1-N 3.2Å
159F75.2Confident75.9Confident4 Ų455.4 Ų55.42%0.01831%0.306CS..G310 helixtrans-7620.5173.3-71.5-100.5000113E63 M67 V70 I75 H137 L156 F161 S162E63-F159 HydrophobicContact CG-CB 4.42Å; M67-F159 HydrophobicContact CG-CB 3.91Å; M67-F159 HydrophobicContact CG-CD2 4.2Å; M67-F159 HydrophobicContact CG-CG 4.23Å; M67-F159 HydrophobicContact SD-CB 4.43Å; V70-F159 HydrophobicContact CG1-CZ 4.41Å; I75-F159 HydrophobicContact CD1-CZ 4.31Å; I75-F159 HydrophobicContact CG2-CE2 3.56Å; I75-F159 HydrophobicContact CG2-CZ 3.63Å; H137-F159 AromaticContact CD2-CD1 3.91Å; H137-F159 AromaticContact CD2-CE1 3.66Å; H137-F159 AromaticContact CD2-CZ 3.93Å; L156-F159 HydrophobicContact CB-CZ 4.44Å; F159-F161 PolarHBondContact O-N 2.89Å; F159-S162 WeakPolarHBondContact O-CB 3.35Å; F159-S162 PolarHBondContact O-N 3.36Å; F159-S162 PolarHBondContact O-OG 3.15Å
160G59.6Low75.2Confident20 Ų2054.2 Ų54.221%0.20630%0.299CS..G310 helixtrans-61.7-26.1-176.300000115E63 D158E63-G160 WeakPolarHBondContact OE2-CA 3.15Å; D158-G160 PolarHBondContact O-N 3.34Å; D158-G160 PolarHBondContact OD1-N 3.2Å
161F58.3Low74.7Confident94 Ų9448 Ų4841%0.41227%0.273SS..G310 helixtrans-99.72171.7-65.7-77.9000113.6H137 R138 D139 F159 C175H137-F161 CarbonylContact O-C 3.57Å; R138-F161 PolarHBondContact NE-O 3.44Å; R138-F161 PolarHBondContact NH2-O 2.93Å; D139-F161 HydrophobicContact CB-CB 3.8Å; D139-F161 HydrophobicContact CB-CD2 3.44Å; D139-F161 VanDerWaalsContact CB-CD2 3.44Å; D139-F161 HydrophobicContact CB-CE2 4.33Å; D139-F161 HydrophobicContact CB-CG 3.91Å; F159-F161 PolarHBondContact O-N 2.89Å; F161-C175 HydrophobicContact CD1-CB 3.63Å; F161-C175 HydrophobicContact CE1-CB 4.05Å; F161-C175 HydrophobicContact CG-CB 4.3Å
162S66.9Low74Confident5 Ų550.6 Ų50.64%0.03529%0.291CS..  trans-62.2159.1-178.172.40000112.4C66 V136 H137 F159C66-S162 WeakPolarHBondContact CB-OG 3.24Å; C66-S162 PolarHBondContact SG-OG 3.41Å; C66-S162 VanDerWaalsContact SG-OG 3.32Å; V136-S162 WeakPolarHBondContact O-CA 3.44Å; V136-S162 WeakPolarHBondContact O-CB 3.5Å; H137-S162 PolarHBondContact O-N 2.77Å; F159-S162 WeakPolarHBondContact O-CB 3.35Å; F159-S162 PolarHBondContact O-N 3.36Å; F159-S162 PolarHBondContact O-OG 3.15Å
163N66.8Low73.4Confident39 Ų3951 Ų5121%0.20928%0.284CS..EExtended strand (participates in β ladder)trans-148159170.5-158.32.2000110.8V135 V136 L171V135-N163 WeakPolarHBondContact CA-O 3.45Å; V136-N163 HydrophobicContact CG2-CB 4.28Å; V136-N163 VanDerWaalsContact CG2-O 3.31Å; V136-N163 WeakPolarHBondContact CG2-O 3.36Å; V136-N163 PolarHBondContact N-O 2.93Å; V136-N163 PolarHBondContact O-N 2.72Å; N163-L171 HydrophobicContact CB-CD1 4.43Å
164K64.4Low72Confident84 Ų8453.8 Ų53.837%0.36531%0.305SS..EExtended strand (participates in β ladder)trans-82.4118.1160.3-78.1-171.4174-162.70108.9H134H134-K164 CarbonylContact O-C 3.56Å; H134-K164 VanDerWaalsContact O-CA 3.28Å; H134-K164 WeakPolarHBondContact O-CA 3.39Å
165F67.9Low70.7Confident22 Ų2254.5 Ų54.510%0.09631%0.309CS..  trans-87161.217073-84.9000110.4H134 V136 P167 A193 P194H134-F165 VanDerWaalsContact C-CD1 3.46Å; H134-F165 VanDerWaalsContact C-CE1 3.44Å; H134-F165 VanDerWaalsContact CA-CE1 3.43Å; H134-F165 HydrophobicContact CB-CD1 4.41Å; H134-F165 HydrophobicContact CB-CE1 4.24Å; H134-F165 HydrophobicContact CB-CZ 4.45Å; H134-F165 AromaticContact CD2-CE2 3.95Å; H134-F165 WeakPolarHBondContact O-CD1 3.41Å; H134-F165 PolarHBondContact O-N 2.9Å; V136-F165 HydrophobicContact CB-CD1 4.4Å; V136-F165 HydrophobicContact CG1-CD1 3.53Å; V136-F165 HydrophobicContact CG1-CE1 3.82Å; V136-F165 HydrophobicContact CG1-CG 4.38Å; V136-F165 HydrophobicContact CG2-CB 4.49Å; V136-F165 HydrophobicContact CG2-CD1 4.24Å; F165-P167 HydrophobicContact CE2-CG 4.2Å; F165-A193 HydrophobicContact CB-CB 4.26Å; F165-P194 HydrophobicContact CD1-CG 4.4Å; F165-P194 HydrophobicContact CD2-CG 4.19Å; F165-P194 HydrophobicContact CE1-CG 3.98Å; F165-P194 HydrophobicContact CE2-CG 3.77Å; F165-P194 HydrophobicContact CG-CG 4.5Å; F165-P194 HydrophobicContact CZ-CG 3.65Å
166Q65.1Low69.3Low113 Ų11355.7 Ų55.753%0.52832%0.323SS..  trans-119.6126.1167.6-68.5-178.1-8.600106.3G168 K169Q166-G168 PolarHBondContact O-N 2.69Å; Q166-K169 HydrophobicContact CB-CB 4.28Å; Q166-K169 HydrophobicContact CB-CD 4.16Å; Q166-K169 HydrophobicContact CB-CG 4.33Å; Q166-K169 PolarHBondContact O-N 3.06Å; Q166-K169 VanDerWaalsContact OE1-CE 3.32Å
167P70.1Confident68.5Low94 Ų9458.3 Ų58.361%0.6134%0.342SS*.THydrogen-bonded Turntrans-54.4129.8-176.6-27.336000111.5H134 F165 K169H134-P167 WeakPolarHBondContact NE2-CG 3.48Å; F165-P167 HydrophobicContact CE2-CG 4.2Å; P167-K169 VanDerWaalsContact C-N 3.33Å
168G64.8Low68.3Low82 Ų8259.5 Ų59.585%0.84535%0.347SS*.THydrogen-bonded Turntrans81.9-2.3-17500000115.8Q166Q166-G168 PolarHBondContact O-N 2.69Å
169K69.6Low68.5Low128 Ų12858.2 Ų58.256%0.55734%0.343SS*.  trans-103.3126.6165.4-68.1-170.2-175.8168.10110.6Q166 P167Q166-K169 HydrophobicContact CB-CB 4.28Å; Q166-K169 HydrophobicContact CB-CD 4.16Å; Q166-K169 HydrophobicContact CB-CG 4.33Å; Q166-K169 PolarHBondContact O-N 3.06Å; Q166-K169 VanDerWaalsContact OE1-CE 3.32Å; P167-K169 VanDerWaalsContact C-N 3.33Å
170K72.1Confident69.1Low114 Ų11458.8 Ų58.850%0.49635%0.345SS..  trans-83166.7176.8-65.8-179.2163.1-159.10112.5E190 Y191K170-E190 HydrophobicContact CB-CB 3.93Å; K170-E190 HydrophobicContact CD-CB 3.44Å; K170-E190 VanDerWaalsContact CD-CB 3.44Å; K170-E190 WeakPolarHBondContact CD-O 3.39Å; K170-E190 WeakPolarHBondContact CD-OE2 3.28Å; K170-E190 WeakPolarHBondContact CE-O 3.49Å; K170-E190 HydrophobicContact CG-CB 4.39Å; K170-E190 PolarHBondContact NZ-O 2.8Å; K170-E190 IonicContact NZ-OE2 2.69Å; K170-Y191 CarbonylContact C-O 3.55Å; K170-Y191 VanDerWaalsContact CA-O 3.25Å; K170-Y191 WeakPolarHBondContact CA-O 3.37Å; K170-Y191 VanDerWaalsContact CB-O 3.27Å; K170-Y191 WeakPolarHBondContact CB-O 3.38Å
171L70.7Confident70.5Confident26 Ų2658.1 Ų58.114%0.13634%0.337CS..BIsolated β-bridgetrans-116.7154.5172.2-59.7-179.2000110.9N163 E190 Y191 A193N163-L171 HydrophobicContact CB-CD1 4.43Å; L171-E190 CarbonylContact O-C 3.43Å; L171-E190 WeakPolarHBondContact O-CA 3.44Å; L171-Y191 HydrophobicContact CB-CD2 4.26Å; L171-Y191 HydrophobicContact CB-CE1 4.2Å; L171-Y191 HydrophobicContact CB-CE2 3.7Å; L171-Y191 HydrophobicContact CD1-CE2 4.14Å; L171-Y191 HydrophobicContact CG-CE2 4.42Å; L171-Y191 PolarHBondContact N-O 3.25Å; L171-Y191 VanDerWaalsContact O-CD1 3.27Å; L171-Y191 WeakPolarHBondContact O-CD1 3.1Å; L171-Y191 PolarHBondContact O-N 3.08Å; L171-A193 HydrophobicContact CD1-CB 3.61Å; L171-A193 HydrophobicContact CG-CB 4.15Å
172T62.5Low72.1Confident92 Ų9253.7 Ų53.756%0.56432%0.318SS*.  trans-118.8-4.3-178.347.50000114S174 E190T172-S174 PolarHBondContact O-N 2.82Å; T172-E190 HydrophobicContact CG2-CG 3.83Å
173T68.1Low73.4Confident58 Ų5853.5 Ų53.536%0.35632%0.317SS..  trans-79.5113.3-175.4-34.40000110.7Y191T173-Y191 VanDerWaalsContact O-CE1 3.32Å; T173-Y191 WeakPolarHBondContact O-CE1 3.03Å; T173-Y191 PolarHBondContact O-OH 3.39Å
174S59.3Low74.5Confident72 Ų7252.3 Ų52.350%0.50331%0.309SS..  trans-70131.5166.7-59.80000110.6T172 I185T172-S174 PolarHBondContact O-N 2.82Å; S174-I185 WeakPolarHBondContact CB-O 3.3Å; S174-I185 PolarHBondContact OG-O 2.75Å
175C66.2Low75.7Confident16 Ų1648.4 Ų48.411%0.10829%0.293CS..  trans-157175.4-179.957.60000111.8F161 S181 I185F161-C175 HydrophobicContact CD1-CB 3.63Å; F161-C175 HydrophobicContact CE1-CB 4.05Å; F161-C175 HydrophobicContact CG-CB 4.3Å; C175-S181 PolarHBondContact O-OG 2.93Å; C175-S181 VanDerWaalsContact O-OG 3.14Å; C175-I185 WeakPolarHBondContact O-CG2 3.07Å
176G64.6Low76.6Confident32 Ų3250 Ų5033%0.3330%0.302SS..SBendtrans86.8173.4-177.300000113.9
177S76.5Confident77.6Confident58 Ų5849.3 Ų49.341%0.40630%0.301SS..  trans-98.6137.7178.6-57.40000111A179 Y180 S181S177-A179 PolarHBondContact O-N 3.46Å; S177-Y180 PolarHBondContact O-N 2.91Å; S177-S181 PolarHBondContact O-N 2.68Å; S177-S181 PolarHBondContact O-OG 3Å
178L84.9Confident78.2Confident51 Ų5146.8 Ų46.827%0.26729%0.293SS..THydrogen-bonded Turntrans-41.4-51.5-164.5179.660.6000115.3Y180 S181 L186 D220 T223 L224 I227L178-Y180 PolarHBondContact O-N 3.23Å; L178-S181 PolarHBondContact O-N 2.8Å; L178-L186 HydrophobicContact CD1-CD1 3.87Å; L178-L186 HydrophobicContact CD1-CD2 3.85Å; L178-D220 HydrophobicContact CD2-CB 3.93Å; L178-T223 HydrophobicContact CD2-CG2 4.49Å; L178-L224 HydrophobicContact CD1-CD1 4.28Å; L178-I227 HydrophobicContact CD1-CD1 4.07Å; L178-I227 HydrophobicContact CG-CD1 4.27Å; L178-I227 VanDerWaalsContact O-CD1 3.3Å; L178-I227 WeakPolarHBondContact O-CD1 3.42Å
179A84.4Confident78.9Confident18 Ų1847.3 Ų47.315%0.14928%0.276CS..THydrogen-bonded Turntrans-64.7-18.3-176.500000114.9S177S177-A179 PolarHBondContact O-N 3.46Å
180Y88.2Confident79.5Confident17 Ų1746.9 Ų46.97%0.06728%0.276CS..THydrogen-bonded Turntrans-109.8-16.6-179-47.6-76.1000113.6F101 K141 P142 E143 S177 L178 S200 V203 M207F101-Y180 WeakPolarHBondContact CD2-OH 3.09Å; F101-Y180 WeakPolarHBondContact CE2-OH 3.24Å; K141-Y180 HydrophobicContact CB-CD1 3.83Å; K141-Y180 HydrophobicContact CB-CD2 3.7Å; K141-Y180 HydrophobicContact CB-CE1 4Å; K141-Y180 HydrophobicContact CB-CE2 3.84Å; K141-Y180 HydrophobicContact CB-CG 3.68Å; K141-Y180 HydrophobicContact CD-CD2 3.98Å; K141-Y180 HydrophobicContact CD-CE2 3.94Å; P142-Y180 HydrophobicContact CG-CE1 4.15Å; E143-Y180 WeakPolarHBondContact OE1-CE2 3.22Å; E143-Y180 PolarHBondContact OE1-OH 3.07Å; E143-Y180 PolarHBondContact OE2-OH 3.21Å; E143-Y180 VanDerWaalsContact OE2-OH 3.06Å; S177-Y180 PolarHBondContact O-N 2.91Å; L178-Y180 PolarHBondContact O-N 3.23Å; Y180-S200 PolarHBondContact O-OG 3.06Å; Y180-V203 HydrophobicContact CD1-CG1 3.66Å; Y180-V203 HydrophobicContact CE1-CG1 4.29Å; Y180-M207 HydrophobicContact CD1-SD 4.45Å; Y180-M207 HydrophobicContact CE1-CE 4.35Å; Y180-M207 HydrophobicContact CE1-SD 3.64Å
181S89.8Confident79.9Confident6 Ų641.7 Ų41.74%0.04225%0.253CS..SBendtrans-71.2141.1-178.1-67.90000111.9C175 S177 L178 W199C175-S181 PolarHBondContact O-OG 2.93Å; C175-S181 VanDerWaalsContact O-OG 3.14Å; S177-S181 PolarHBondContact O-N 2.68Å; S177-S181 PolarHBondContact O-OG 3Å; L178-S181 PolarHBondContact O-N 2.8Å; S181-W199 PolarHBondContact O-NE1 2.81Å; S181-W199 VanDerWaalsContact O-NE1 3.1Å
182A91.8Very high80.3Confident0 Ų044.2 Ų44.20%027%0.267CS..  trans-72.7148176.300000111.6E184 I185 L186 V196 W199A182-E184 VanDerWaalsContact C-N 3.27Å; A182-E184 VanDerWaalsContact CB-CD 3.5Å; A182-E184 WeakPolarHBondContact CB-OE1 3.42Å; A182-E184 WeakPolarHBondContact CB-OE2 3.46Å; A182-E184 PolarHBondContact O-N 3.22Å; A182-I185 WeakPolarHBondContact O-CB 3.29Å; A182-I185 PolarHBondContact O-N 2.88Å; A182-L186 PolarHBondContact O-N 3.4Å; A182-V196 HydrophobicContact CB-CG1 4.36Å; A182-V196 HydrophobicContact CB-CG2 4.4Å; A182-W199 VanDerWaalsContact CA-CD1 3.47Å; A182-W199 HydrophobicContact CB-CB 3.86Å; A182-W199 HydrophobicContact CB-CD2 4.32Å; A182-W199 HydrophobicContact CB-CG 3.73Å
183P92.8Very high81.2Confident2 Ų239.9 Ų39.91%0.01324%0.24CC..Hα-helixtrans-57.7-35.8-174.820.6-32.4000113.4I185 L186 L187 W199 I227 M228P183-I185 VanDerWaalsContact C-N 3.32Å; P183-I185 PolarHBondContact O-N 3.02Å; P183-L186 CarbonylContact O-C 3.46Å; P183-L186 PolarHBondContact O-N 2.92Å; P183-L186 VanDerWaalsContact O-N 3.13Å; P183-L187 WeakPolarHBondContact O-CG 3.28Å; P183-L187 PolarHBondContact O-N 3.35Å; P183-W199 HydrophobicContact CG-CH2 4.24Å; P183-W199 HydrophobicContact CG-CZ3 4.25Å; P183-I227 HydrophobicContact CB-CG2 4.17Å; P183-M228 HydrophobicContact CB-SD 4.04Å
184E91.3Very high82.2Confident13 Ų1338.3 Ų38.36%0.06123%0.231CC..Hα-helixtrans-65.5-30.4177.267.2-81.4-16400113.8A182 L186 L187 G188 D189 Y191 P254 R257A182-E184 VanDerWaalsContact C-N 3.27Å; A182-E184 VanDerWaalsContact CB-CD 3.5Å; A182-E184 WeakPolarHBondContact CB-OE1 3.42Å; A182-E184 WeakPolarHBondContact CB-OE2 3.46Å; A182-E184 PolarHBondContact O-N 3.22Å; E184-L186 VanDerWaalsContact C-N 3.33Å; E184-L187 PolarHBondContact O-N 3.37Å; E184-G188 PolarHBondContact O-N 2.68Å; E184-D189 PolarHBondContact O-N 2.88Å; E184-Y191 HydrophobicContact CG-CG 4.48Å; E184-P254 HydrophobicContact CB-CG 4.37Å; E184-P254 HydrophobicContact CG-CG 3.99Å; E184-R257 IonicContact OE1-CZ 2.73Å; E184-R257 IonicContact OE1-NH1 2.8Å; E184-R257 PolarHBondContact OE1-NH1 2.93Å; E184-R257 IonicContact OE1-NH2 4Å; E184-R257 PolarHBondContact OE1-NH2 2.86Å; E184-R257 IonicContact OE2-CZ 3.37Å; E184-R257 IonicContact OE2-NH1 2.75Å; E184-R257 IonicContact OE2-NH2 2.68Å; E184-R257 PolarHBondContact OE2-NH2 3.19Å
185I88.3Confident83.7Confident2 Ų235.5 Ų35.51%0.0121%0.212CC..Hα-helixtrans-69.1-35.3172.9-85.3-179.1000111.1S174 C175 A182 P183 G188 Y191 V196S174-I185 WeakPolarHBondContact CB-O 3.3Å; S174-I185 PolarHBondContact OG-O 2.75Å; C175-I185 WeakPolarHBondContact O-CG2 3.07Å; A182-I185 WeakPolarHBondContact O-CB 3.29Å; A182-I185 PolarHBondContact O-N 2.88Å; P183-I185 VanDerWaalsContact C-N 3.32Å; P183-I185 PolarHBondContact O-N 3.02Å; I185-G188 PolarHBondContact O-N 2.8Å; I185-Y191 HydrophobicContact CD1-CE1 4.26Å; I185-Y191 HydrophobicContact CD1-CE2 4.38Å; I185-Y191 HydrophobicContact CG1-CD1 3.82Å; I185-Y191 HydrophobicContact CG1-CE1 3.67Å; I185-Y191 HydrophobicContact CG1-CE2 4.46Å; I185-Y191 HydrophobicContact CG1-CG 4.3Å; I185-V196 HydrophobicContact CD1-CB 4.31Å; I185-V196 HydrophobicContact CD1-CG1 3.5Å; I185-V196 HydrophobicContact CD1-CG2 3.81Å; I185-V196 HydrophobicContact CG1-CG2 4.2Å
186L87.6Confident85Confident55 Ų5534.8 Ų34.829%0.28821%0.207SC..Hα-helixtrans-79.4-22.8179.5-59.9172.4000112.3L178 A182 P183 E184 L224 I227 M228L178-L186 HydrophobicContact CD1-CD1 3.87Å; L178-L186 HydrophobicContact CD1-CD2 3.85Å; A182-L186 PolarHBondContact O-N 3.4Å; P183-L186 CarbonylContact O-C 3.46Å; P183-L186 PolarHBondContact O-N 2.92Å; P183-L186 VanDerWaalsContact O-N 3.13Å; E184-L186 VanDerWaalsContact C-N 3.33Å; L186-L224 HydrophobicContact CB-CD1 4.02Å; L186-L224 HydrophobicContact CD1-CD1 3.83Å; L186-L224 HydrophobicContact CG-CD1 4.4Å; L186-I227 HydrophobicContact CD1-CB 4.47Å; L186-I227 HydrophobicContact CD1-CD1 4.16Å; L186-I227 HydrophobicContact CD1-CG2 3.73Å; L186-M228 HydrophobicContact CB-CE 3.54Å
187L86.5Confident86.4Confident99 Ų9933.2 Ų33.252%0.51819%0.192SC..Hα-helixtrans-76.5-21.9167.3-69174.1000112.9P183 E184 D189 M228P183-L187 WeakPolarHBondContact O-CG 3.28Å; P183-L187 PolarHBondContact O-N 3.35Å; E184-L187 PolarHBondContact O-N 3.37Å; L187-D189 VanDerWaalsContact C-N 3.27Å; L187-D189 HydrophobicContact CB-CB 4.47Å; L187-M228 HydrophobicContact CD1-SD 4.44Å; L187-M228 HydrophobicContact CD2-CE 3.75Å; L187-M228 HydrophobicContact CD2-SD 3.83Å; L187-M228 HydrophobicContact CG-CE 3.81Å; L187-M228 HydrophobicContact CG-SD 3.93Å
188G81.9Confident87.4Confident42 Ų4230.9 Ų30.943%0.43317%0.174SC..THydrogen-bonded Turntrans74.317-172.200000113.7E184 I185E184-G188 PolarHBondContact O-N 2.68Å; I185-G188 PolarHBondContact O-N 2.8Å
189D79.4Confident87.9Confident92 Ų9228.4 Ų28.449%0.49216%0.161SC..  trans-70.1157.6178.5-87.2-42.2000111.7E184 L187 Y191E184-D189 PolarHBondContact O-N 2.88Å; L187-D189 VanDerWaalsContact C-N 3.27Å; L187-D189 HydrophobicContact CB-CB 4.47Å; D189-Y191 PolarHBondContact O-N 3.19Å; D189-Y191 VanDerWaalsContact O-N 3.15Å
190E82.6Confident88.5Confident120 Ų12027.8 Ų27.856%0.56116%0.156SC*.  trans-66.3114.2166.2-57.9-172.4151.200109.9K170 L171 T172K170-E190 HydrophobicContact CB-CB 3.93Å; K170-E190 HydrophobicContact CD-CB 3.44Å; K170-E190 VanDerWaalsContact CD-CB 3.44Å; K170-E190 WeakPolarHBondContact CD-O 3.39Å; K170-E190 WeakPolarHBondContact CD-OE2 3.28Å; K170-E190 WeakPolarHBondContact CE-O 3.49Å; K170-E190 HydrophobicContact CG-CB 4.39Å; K170-E190 PolarHBondContact NZ-O 2.8Å; K170-E190 IonicContact NZ-OE2 2.69Å; L171-E190 CarbonylContact O-C 3.43Å; L171-E190 WeakPolarHBondContact O-CA 3.44Å; T172-E190 HydrophobicContact CG2-CG 3.83Å
191Y79.7Confident88.9Confident5 Ų527 Ų272%0.0215%0.153CC..BIsolated β-bridgetrans-107.3154.1-175.960.9-95.6000113.4R138 K170 L171 T173 E184 I185 D189 A193 V196R138-Y191 PolarHBondContact NH1-OH 2.95Å; K170-Y191 CarbonylContact C-O 3.55Å; K170-Y191 VanDerWaalsContact CA-O 3.25Å; K170-Y191 WeakPolarHBondContact CA-O 3.37Å; K170-Y191 VanDerWaalsContact CB-O 3.27Å; K170-Y191 WeakPolarHBondContact CB-O 3.38Å; L171-Y191 HydrophobicContact CB-CD2 4.26Å; L171-Y191 HydrophobicContact CB-CE1 4.2Å; L171-Y191 HydrophobicContact CB-CE2 3.7Å; L171-Y191 HydrophobicContact CD1-CE2 4.14Å; L171-Y191 HydrophobicContact CG-CE2 4.42Å; L171-Y191 PolarHBondContact N-O 3.25Å; L171-Y191 VanDerWaalsContact O-CD1 3.27Å; L171-Y191 WeakPolarHBondContact O-CD1 3.1Å; L171-Y191 PolarHBondContact O-N 3.08Å; T173-Y191 VanDerWaalsContact O-CE1 3.32Å; T173-Y191 WeakPolarHBondContact O-CE1 3.03Å; T173-Y191 PolarHBondContact O-OH 3.39Å; E184-Y191 HydrophobicContact CG-CG 4.48Å; I185-Y191 HydrophobicContact CD1-CE1 4.26Å; I185-Y191 HydrophobicContact CD1-CE2 4.38Å; I185-Y191 HydrophobicContact CG1-CD1 3.82Å; I185-Y191 HydrophobicContact CG1-CE1 3.67Å; I185-Y191 HydrophobicContact CG1-CE2 4.46Å; I185-Y191 HydrophobicContact CG1-CG 4.3Å; D189-Y191 PolarHBondContact O-N 3.19Å; D189-Y191 VanDerWaalsContact O-N 3.15Å; Y191-A193 HydrophobicContact CD2-CB 4.48Å; Y191-A193 HydrophobicContact CE2-CB 4.29Å; Y191-V196 HydrophobicContact CD2-CG2 3.5Å; Y191-V196 HydrophobicContact CE2-CG2 3.91Å; Y191-V196 HydrophobicContact CG-CG2 4.13Å
192D80.8Confident89.3Confident79 Ų7926.7 Ų26.742%0.42215%0.151SC..  trans-85.9122.9167.6-169.715.3000109.3P194 A195D192-P194 WeakPolarHBondContact OD1-CD 3.37Å; D192-A195 PolarHBondContact O-N 3.44Å
193A79.9Confident89.6Confident0 Ų026.7 Ų26.70%015%0.151CC..Hα-helixtrans-72.2-37-160.500000114.9V136 F165 L171 Y191 A195 V196V136-A193 HydrophobicContact CB-CB 4.3Å; V136-A193 HydrophobicContact CG1-CB 3.92Å; V136-A193 HydrophobicContact CG2-CB 3.89Å; F165-A193 HydrophobicContact CB-CB 4.26Å; L171-A193 HydrophobicContact CD1-CB 3.61Å; L171-A193 HydrophobicContact CG-CB 4.15Å; Y191-A193 HydrophobicContact CD2-CB 4.48Å; Y191-A193 HydrophobicContact CE2-CB 4.29Å; A193-A195 VanDerWaalsContact C-N 3.29Å; A193-A195 PolarHBondContact O-N 2.78Å; A193-V196 PolarHBondContact O-N 3.33Å
194P88.9Confident89.9Confident26 Ų2626.6 Ų26.617%0.16915%0.15CC..Hα-helixtrans-58.4-38.5172.3-29.639.6000113.5H131 V136 F165 D192 V196 D197 I198H131-P194 VanDerWaalsContact CE1-CA 3.48Å; H131-P194 WeakPolarHBondContact CE1-CA 3.47Å; V136-P194 HydrophobicContact CG1-CG 4.17Å; F165-P194 HydrophobicContact CD1-CG 4.4Å; F165-P194 HydrophobicContact CD2-CG 4.19Å; F165-P194 HydrophobicContact CE1-CG 3.98Å; F165-P194 HydrophobicContact CE2-CG 3.77Å; F165-P194 HydrophobicContact CG-CG 4.5Å; F165-P194 HydrophobicContact CZ-CG 3.65Å; D192-P194 WeakPolarHBondContact OD1-CD 3.37Å; P194-V196 PolarHBondContact O-N 3.27Å; P194-D197 PolarHBondContact O-N 3.13Å; P194-D197 VanDerWaalsContact O-N 3.14Å; P194-I198 WeakPolarHBondContact O-CG1 3.09Å; P194-I198 PolarHBondContact O-N 2.67Å
195A92.4Very high90.2Very high12 Ų1226 Ų2610%0.09915%0.147CC..Hα-helixtrans-66.7-23.7-176.100000113.4D192 A193 W199 P254 R257D192-A195 PolarHBondContact O-N 3.44Å; A193-A195 VanDerWaalsContact C-N 3.29Å; A193-A195 PolarHBondContact O-N 2.78Å; A195-W199 PolarHBondContact O-N 3.33Å; A195-P254 HydrophobicContact CB-CB 3.88Å; A195-R257 WeakPolarHBondContact O-CD 3.4Å; A195-R257 PolarHBondContact O-NH1 2.54Å
196V92.6Very high90.7Very high1 Ų126.4 Ų26.41%0.00615%0.149CC..Hα-helixtrans-66.5-48.7171.4172.40000110.6A182 I185 Y191 A193 P194 I198 W199 S200A182-V196 HydrophobicContact CB-CG1 4.36Å; A182-V196 HydrophobicContact CB-CG2 4.4Å; I185-V196 HydrophobicContact CD1-CB 4.31Å; I185-V196 HydrophobicContact CD1-CG1 3.5Å; I185-V196 HydrophobicContact CD1-CG2 3.81Å; I185-V196 HydrophobicContact CG1-CG2 4.2Å; Y191-V196 HydrophobicContact CD2-CG2 3.5Å; Y191-V196 HydrophobicContact CE2-CG2 3.91Å; Y191-V196 HydrophobicContact CG-CG2 4.13Å; A193-V196 PolarHBondContact O-N 3.33Å; P194-V196 PolarHBondContact O-N 3.27Å; V196-I198 PolarHBondContact O-N 2.84Å; V196-W199 WeakPolarHBondContact O-CB 3.42Å; V196-W199 PolarHBondContact O-N 3.25Å; V196-S200 PolarHBondContact O-N 2.06Å; V196-S200 VanDerWaalsContact O-N 3.14Å
197D93.8Very high91.2Very high0 Ų023.9 Ų23.90%014%0.136CC..Hα-helixtrans-61.3-31.7178.7-68.2-20.4000110.8I127 H131 V136 H137 R138 P194 S200 L201I127-D197 HydrophobicContact CG2-CB 4.22Å; H131-D197 IonicContact CD2-OD2 2.83Å; H131-D197 IonicContact CE1-OD2 2.76Å; H131-D197 IonicContact NE2-OD2 2.71Å; H131-D197 PolarHBondContact NE2-OD2 3.32Å; V136-D197 WeakPolarHBondContact CA-OD2 3.49Å; H137-D197 WeakPolarHBondContact CB-OD1 3.49Å; H137-D197 PolarHBondContact N-OD1 2.96Å; H137-D197 PolarHBondContact N-OD2 2.77Å; R138-D197 PolarHBondContact N-OD1 3.2Å; P194-D197 PolarHBondContact O-N 3.13Å; P194-D197 VanDerWaalsContact O-N 3.14Å; D197-S200 PolarHBondContact O-N 3.5Å; D197-L201 VanDerWaalsContact O-CG 3.3Å; D197-L201 WeakPolarHBondContact O-CG 3.39Å; D197-L201 PolarHBondContact O-N 3.35Å
198I96.9Very high91.7Very high8 Ų819.1 Ų19.14%0.04111%0.111CC..Hα-helixtrans-62.9-42.8172.5-51.9-52.4000112.4P194 V196 S200 L201 G202 M249 R257 L260 I263P194-I198 WeakPolarHBondContact O-CG1 3.09Å; P194-I198 PolarHBondContact O-N 2.67Å; V196-I198 PolarHBondContact O-N 2.84Å; I198-S200 VanDerWaalsContact C-N 3.35Å; I198-L201 HydrophobicContact CD1-CD1 4.26Å; I198-L201 WeakPolarHBondContact O-CB 3.39Å; I198-L201 PolarHBondContact O-N 2.82Å; I198-G202 PolarHBondContact O-N 3.3Å; I198-M249 HydrophobicContact CG2-CB 4.03Å; I198-M249 HydrophobicContact CG2-CG 3.81Å; I198-M249 HydrophobicContact CG2-SD 4.46Å; I198-R257 HydrophobicContact CG2-CB 4Å; I198-L260 HydrophobicContact CD1-CD2 3.37Å; I198-L260 HydrophobicContact CD1-CG 3.73Å; I198-I263 HydrophobicContact CD1-CD1 4.06Å; I198-I263 HydrophobicContact CG2-CD1 3.88Å
199W97.1Very high92.5Very high0 Ų017.2 Ų17.20%09%0.091CC..Hα-helixtrans-60.6-47.6176.2174.2-88.5000110.8S181 A182 P183 A195 V196 L201 G202 V203 F215 I227 C230 L250S181-W199 PolarHBondContact O-NE1 2.81Å; S181-W199 VanDerWaalsContact O-NE1 3.1Å; A182-W199 VanDerWaalsContact CA-CD1 3.47Å; A182-W199 HydrophobicContact CB-CB 3.86Å; A182-W199 HydrophobicContact CB-CD2 4.32Å; A182-W199 HydrophobicContact CB-CG 3.73Å; P183-W199 HydrophobicContact CG-CH2 4.24Å; P183-W199 HydrophobicContact CG-CZ3 4.25Å; A195-W199 PolarHBondContact O-N 3.33Å; V196-W199 WeakPolarHBondContact O-CB 3.42Å; V196-W199 PolarHBondContact O-N 3.25Å; W199-L201 VanDerWaalsContact C-N 3.34Å; W199-L201 PolarHBondContact O-N 3.36Å; W199-G202 CarbonylContact O-C 3.6Å; W199-G202 WeakPolarHBondContact O-CA 3.15Å; W199-G202 PolarHBondContact O-N 3.27Å; W199-V203 PolarHBondContact O-N 2.87Å; W199-F215 AromaticContact CH2-CE2 3.88Å; W199-F215 HydrophobicContact CH2-CE2 3.88Å; W199-F215 AromaticContact CH2-CZ 3.7Å; W199-F215 HydrophobicContact CH2-CZ 3.7Å; W199-F215 HydrophobicContact CZ2-CD2 4.22Å; W199-F215 AromaticContact CZ2-CE2 3.33Å; W199-F215 HydrophobicContact CZ2-CE2 3.33Å; W199-F215 AromaticContact CZ2-CZ 3.67Å; W199-F215 HydrophobicContact CZ2-CZ 3.67Å; W199-I227 HydrophobicContact CZ2-CG2 3.99Å; W199-C230 HydrophobicContact CH2-CB 4.33Å; W199-L250 HydrophobicContact CD2-CD2 3.81Å; W199-L250 HydrophobicContact CE3-CD2 3.87Å; W199-L250 HydrophobicContact CG-CD2 4.32Å; W199-L250 HydrophobicContact CH2-CD2 4.41Å; W199-L250 HydrophobicContact CZ2-CD2 4.33Å; W199-L250 HydrophobicContact CZ3-CB 4.38Å; W199-L250 HydrophobicContact CZ3-CD2 4.18Å; W199-L250 WeakPolarHBondContact O-CD2 3.29Å
200S96.1Very high93.3Very high4 Ų413.1 Ų13.13%0.0287%0.069CC..Hα-helixtrans-63.4-35.9177.8-60.70000113.1L140 Y180 V196 D197 I198 G202 V203 I204L140-S200 VanDerWaalsContact O-CB 3.29Å; L140-S200 WeakPolarHBondContact O-CB 3.16Å; Y180-S200 PolarHBondContact O-OG 3.06Å; V196-S200 PolarHBondContact O-N 2.06Å; V196-S200 VanDerWaalsContact O-N 3.14Å; D197-S200 PolarHBondContact O-N 3.5Å; I198-S200 VanDerWaalsContact C-N 3.35Å; S200-G202 VanDerWaalsContact C-N 3.31Å; S200-G202 PolarHBondContact O-N 2.93Å; S200-V203 PolarHBondContact O-N 3.36Å; S200-I204 WeakPolarHBondContact O-CG1 3.49Å; S200-I204 PolarHBondContact O-N 3.25Å
201L97.7Very high93.9Very high0 Ų07.4 Ų7.40%04%0.042CC..Hα-helixtrans-59.5-41168.2-75.6171.4000111.6F120 I123 V124 I127 L140 D197 I198 W199 I204 L205 M249 L260F120-L201 HydrophobicContact CE2-CB 4.07Å; F120-L201 HydrophobicContact CE2-CD2 3.85Å; F120-L201 WeakPolarHBondContact CE2-O 3.14Å; F120-L201 HydrophobicContact CZ-CB 4.09Å; F120-L201 HydrophobicContact CZ-CD2 4.25Å; I123-L201 HydrophobicContact CG2-CD2 3.5Å; V124-L201 HydrophobicContact CG2-CD1 4.46Å; V124-L201 HydrophobicContact CG2-CD2 4.21Å; I127-L201 HydrophobicContact CG1-CD2 4.33Å; I127-L201 HydrophobicContact CG2-CD1 4.28Å; L140-L201 HydrophobicContact CD2-CD2 3.92Å; L140-L201 HydrophobicContact CD2-CG 3.9Å; D197-L201 VanDerWaalsContact O-CG 3.3Å; D197-L201 WeakPolarHBondContact O-CG 3.39Å; D197-L201 PolarHBondContact O-N 3.35Å; I198-L201 HydrophobicContact CD1-CD1 4.26Å; I198-L201 WeakPolarHBondContact O-CB 3.39Å; I198-L201 PolarHBondContact O-N 2.82Å; W199-L201 VanDerWaalsContact C-N 3.34Å; W199-L201 PolarHBondContact O-N 3.36Å; L201-I204 PolarHBondContact O-N 2.92Å; L201-L205 WeakPolarHBondContact O-CB 3.43Å; L201-L205 PolarHBondContact O-N 3.37Å; L201-M249 HydrophobicContact CB-SD 3.66Å; L201-L260 HydrophobicContact CD1-CD2 3.8Å
202G98Very high94.6Very high0 Ų011.7 Ų11.70%06%0.063CC..Hα-helixtrans-60.5-42.9173.400000113.4I198 W199 S200 F206I198-G202 PolarHBondContact O-N 3.3Å; W199-G202 CarbonylContact O-C 3.6Å; W199-G202 WeakPolarHBondContact O-CA 3.15Å; W199-G202 PolarHBondContact O-N 3.27Å; S200-G202 VanDerWaalsContact C-N 3.31Å; S200-G202 PolarHBondContact O-N 2.93Å; G202-F206 PolarHBondContact O-N 3.43Å
203V97.9Very high95.3Very high0 Ų09.3 Ų9.30%05%0.052CC..Hα-helixtrans-64.8-46.6175.91780000111.1Y180 W199 S200 L205 F206 M207 P214 F215 L250Y180-V203 HydrophobicContact CD1-CG1 3.66Å; Y180-V203 HydrophobicContact CE1-CG1 4.29Å; W199-V203 PolarHBondContact O-N 2.87Å; S200-V203 PolarHBondContact O-N 3.36Å; V203-L205 PolarHBondContact O-N 2.87Å; V203-F206 PolarHBondContact O-N 3.49Å; V203-M207 HydrophobicContact CG1-SD 4.14Å; V203-M207 WeakPolarHBondContact O-CG 3.39Å; V203-M207 PolarHBondContact O-N 2.98Å; V203-P214 HydrophobicContact CB-CG 4.3Å; V203-P214 HydrophobicContact CG1-CG 3.94Å; V203-P214 HydrophobicContact CG2-CG 4.08Å; V203-F215 HydrophobicContact CG2-CE2 4.5Å; V203-L250 HydrophobicContact CG2-CD2 3.93Å
204I97.7Very high96.1Very high0 Ų09.9 Ų9.90%06%0.055CC..Hα-helixtrans-61.6-44.3177.3-70.3174000111.3M100 I123 L140 P142 V145 S200 L201 F206 M207 L208M100-I204 HydrophobicContact SD-CG2 4.45Å; I123-I204 HydrophobicContact CD1-CG2 3.99Å; L140-I204 HydrophobicContact CD1-CD1 4.1Å; L140-I204 HydrophobicContact CD2-CD1 4.38Å; L140-I204 HydrophobicContact CG-CD1 3.76Å; P142-I204 HydrophobicContact CG-CG1 4.12Å; V145-I204 HydrophobicContact CG2-CD1 4.5Å; S200-I204 WeakPolarHBondContact O-CG1 3.49Å; S200-I204 PolarHBondContact O-N 3.25Å; L201-I204 PolarHBondContact O-N 2.92Å; I204-F206 PolarHBondContact O-N 3.49Å; I204-M207 PolarHBondContact O-N 3.3Å; I204-L208 HydrophobicContact CG2-CD1 3.85Å; I204-L208 HydrophobicContact CG2-CG 4.31Å; I204-L208 WeakPolarHBondContact O-CB 3.39Å; I204-L208 WeakPolarHBondContact O-CG 3.4Å; I204-L208 PolarHBondContact O-N 3.17Å
205L98.3Very high96.3Very high0 Ų08.7 Ų8.70%05%0.048CC..Hα-helixtrans-62.6-42.5177.8179.558.2000111.6F120 L201 V203 L208 V209 L245 I246 M249 W268F120-L205 HydrophobicContact CB-CD1 4.34Å; F120-L205 HydrophobicContact CD1-CD1 4.11Å; F120-L205 HydrophobicContact CD1-CD2 4.33Å; F120-L205 HydrophobicContact CD2-CB 3.99Å; F120-L205 HydrophobicContact CD2-CD1 4.29Å; F120-L205 HydrophobicContact CE1-CD2 4.04Å; F120-L205 HydrophobicContact CE2-CB 3.79Å; F120-L205 HydrophobicContact CG-CB 4.47Å; F120-L205 HydrophobicContact CG-CD1 3.97Å; F120-L205 HydrophobicContact CZ-CB 4.09Å; F120-L205 HydrophobicContact CZ-CD2 4.27Å; L201-L205 WeakPolarHBondContact O-CB 3.43Å; L201-L205 PolarHBondContact O-N 3.37Å; V203-L205 PolarHBondContact O-N 2.87Å; L205-L208 PolarHBondContact O-N 3.36Å; L205-V209 HydrophobicContact CD1-CG1 4.43Å; L205-V209 PolarHBondContact O-N 2.89Å; L205-L245 HydrophobicContact CD2-CB 4.28Å; L205-L245 HydrophobicContact CD2-CD2 3.82Å; L205-L245 HydrophobicContact CD2-CG 3.8Å; L205-I246 HydrophobicContact CB-CG1 4.34Å; L205-I246 HydrophobicContact CD2-CG1 3.62Å; L205-I246 HydrophobicContact CG-CD1 4.24Å; L205-I246 HydrophobicContact CG-CG1 3.71Å; L205-M249 HydrophobicContact CB-CE 3.95Å; L205-M249 HydrophobicContact CD2-CE 3.49Å; L205-M249 VanDerWaalsContact CD2-CE 3.49Å; L205-M249 HydrophobicContact CG-CE 4.37Å; L205-W268 HydrophobicContact CD1-CH2 3.48Å; L205-W268 VanDerWaalsContact CD1-CH2 3.48Å; L205-W268 HydrophobicContact CD1-CZ2 4.37Å; L205-W268 HydrophobicContact CD1-CZ3 3.59Å; L205-W268 HydrophobicContact CD2-CZ3 4.49Å
206F98.4Very high96.2Very high11 Ų1113.5 Ų13.55%0.0487%0.068CC..Hα-helixtrans-59.6-50.8174.4-175.1-81.8000110.8G202 V203 I204 L208 V209 C210 Q212 P214 Y232 V234 I246G202-F206 PolarHBondContact O-N 3.43Å; V203-F206 PolarHBondContact O-N 3.49Å; I204-F206 PolarHBondContact O-N 3.49Å; F206-L208 VanDerWaalsContact C-N 3.32Å; F206-L208 PolarHBondContact O-N 2.93Å; F206-V209 PolarHBondContact O-N 3.39Å; F206-C210 HydrophobicContact CD1-CB 3.78Å; F206-C210 HydrophobicContact CE1-CB 3.51Å; F206-C210 VanDerWaalsContact CE1-SG 3.55Å; F206-C210 VanDerWaalsContact CE2-SG 3.54Å; F206-C210 HydrophobicContact CG-CB 4.43Å; F206-C210 HydrophobicContact CZ-CB 3.97Å; F206-C210 WeakPolarHBondContact CZ-SG 3.5Å; F206-C210 WeakPolarHBondContact O-CB 3.36Å; F206-C210 PolarHBondContact O-N 3.16Å; F206-C210 PolarHBondContact O-SG 3.3Å; F206-C210 VanDerWaalsContact O-SG 3.39Å; F206-Q212 VanDerWaalsContact CD1-O 3.24Å; F206-Q212 WeakPolarHBondContact CD1-O 3.48Å; F206-Q212 VanDerWaalsContact CE1-O 3.3Å; F206-Q212 WeakPolarHBondContact CE1-O 3.46Å; F206-P214 HydrophobicContact CB-CB 4.26Å; F206-P214 HydrophobicContact CB-CG 4.34Å; F206-P214 HydrophobicContact CD1-CB 3.64Å; F206-P214 HydrophobicContact CD1-CG 4.13Å; F206-P214 HydrophobicContact CD2-CB 4.05Å; F206-P214 VanDerWaalsContact CE1-CA 3.43Å; F206-P214 HydrophobicContact CE1-CB 3.9Å; F206-P214 HydrophobicContact CE2-CB 4.29Å; F206-P214 HydrophobicContact CG-CB 3.72Å; F206-P214 HydrophobicContact CG-CG 4.26Å; F206-P214 HydrophobicContact CZ-CB 4.21Å; F206-Y232 HydrophobicContact CD2-CD2 4.01Å; F206-Y232 HydrophobicContact CD2-CE2 4.34Å; F206-Y232 AromaticContact CE2-CD2 3.8Å; F206-Y232 HydrophobicContact CE2-CD2 3.8Å; F206-Y232 HydrophobicContact CE2-CE2 4.46Å; F206-V234 HydrophobicContact CD2-CG2 4.21Å; F206-V234 HydrophobicContact CE2-CG2 3.97Å; F206-I246 HydrophobicContact CB-CD1 4.46Å; F206-I246 HydrophobicContact CB-CG2 4.47Å; F206-I246 HydrophobicContact CD2-CD1 4.45Å; F206-I246 HydrophobicContact CD2-CG2 4.32Å
207M97.8Very high96.2Very high2 Ų217.5 Ų17.51%0.019%0.086CC..Hα-helixtrans-60.1-40.7179.6-71.6-179.57400112.6F101 I104 P142 Y180 V203 I204 V209 G211 Q212 P213F101-M207 HydrophobicContact CD2-CE 4.15Å; F101-M207 HydrophobicContact CE2-CE 4.08Å; I104-M207 HydrophobicContact CD1-CB 4.02Å; I104-M207 HydrophobicContact CG2-CB 4.44Å; I104-M207 WeakPolarHBondContact CG2-O 3.25Å; P142-M207 HydrophobicContact CG-CE 4.16Å; P142-M207 HydrophobicContact CG-SD 3.99Å; Y180-M207 HydrophobicContact CD1-SD 4.45Å; Y180-M207 HydrophobicContact CE1-CE 4.35Å; Y180-M207 HydrophobicContact CE1-SD 3.64Å; V203-M207 HydrophobicContact CG1-SD 4.14Å; V203-M207 WeakPolarHBondContact O-CG 3.39Å; V203-M207 PolarHBondContact O-N 2.98Å; I204-M207 PolarHBondContact O-N 3.3Å; M207-V209 VanDerWaalsContact C-N 3.31Å; M207-V209 PolarHBondContact O-N 3.32Å; M207-G211 WeakPolarHBondContact O-CA 3.49Å; M207-G211 PolarHBondContact O-N 3.26Å; M207-Q212 WeakPolarHBondContact CG-O 3.17Å; M207-P213 HydrophobicContact SD-CB 4.33Å
208L97.8Very high96Very high0 Ų022 Ų220%012%0.124CC..Hα-helixtrans-58.2-37.9176.7-81168.3000113M100 I104 L111 A116 F120 I204 L205 F206M100-L208 HydrophobicContact CE-CD2 4.47Å; M100-L208 HydrophobicContact CG-CD2 4.29Å; M100-L208 HydrophobicContact SD-CD1 4.34Å; M100-L208 HydrophobicContact SD-CD2 3.83Å; M100-L208 HydrophobicContact SD-CG 4.32Å; I104-L208 HydrophobicContact CD1-CD2 3.97Å; I104-L208 HydrophobicContact CD1-CG 4.11Å; I104-L208 HydrophobicContact CG1-CD2 4.21Å; L111-L208 WeakPolarHBondContact CB-O 3.26Å; L111-L208 HydrophobicContact CD2-CD2 3.79Å; L111-L208 PolarHBondContact N-O 3.24Å; A116-L208 HydrophobicContact CB-CB 4.02Å; F120-L208 HydrophobicContact CB-CD1 4.18Å; F120-L208 HydrophobicContact CD2-CD1 4.41Å; I204-L208 HydrophobicContact CG2-CD1 3.85Å; I204-L208 HydrophobicContact CG2-CG 4.31Å; I204-L208 WeakPolarHBondContact O-CB 3.39Å; I204-L208 WeakPolarHBondContact O-CG 3.4Å; I204-L208 PolarHBondContact O-N 3.17Å; L205-L208 PolarHBondContact O-N 3.36Å; F206-L208 VanDerWaalsContact C-N 3.32Å; F206-L208 PolarHBondContact O-N 2.93Å
209V98.1Very high95.7Very high1 Ų125.7 Ų25.71%0.00614%0.144CC..Hα-helixtrans-100-18.8-177.8-54.70000114.2E113 A116 L205 F206 M207 R237 V238 I246E113-V209 HydrophobicContact CG-CG1 4.15Å; A116-V209 HydrophobicContact CB-CG1 3.83Å; L205-V209 HydrophobicContact CD1-CG1 4.43Å; L205-V209 PolarHBondContact O-N 2.89Å; F206-V209 PolarHBondContact O-N 3.39Å; M207-V209 VanDerWaalsContact C-N 3.31Å; M207-V209 PolarHBondContact O-N 3.32Å; V209-R237 PolarHBondContact O-NH1 3.14Å; V209-V238 HydrophobicContact CB-CG2 4.41Å; V209-V238 HydrophobicContact CG2-CG1 4.02Å; V209-V238 HydrophobicContact CG2-CG2 3.99Å; V209-I246 HydrophobicContact CG2-CD1 4.04Å
210C96.9Very high95.3Very high6 Ų631.2 Ų31.24%0.04117%0.173CC..Hα-helixtrans-99.8-27.9-178.1-65.50000113.6E109 F206 Q212 P235 R237E109-C210 CarbonylContact C-O 3.41Å; E109-C210 VanDerWaalsContact C-O 3.3Å; F206-C210 HydrophobicContact CD1-CB 3.78Å; F206-C210 HydrophobicContact CE1-CB 3.51Å; F206-C210 VanDerWaalsContact CE1-SG 3.55Å; F206-C210 VanDerWaalsContact CE2-SG 3.54Å; F206-C210 HydrophobicContact CG-CB 4.43Å; F206-C210 HydrophobicContact CZ-CB 3.97Å; F206-C210 WeakPolarHBondContact CZ-SG 3.5Å; F206-C210 WeakPolarHBondContact O-CB 3.36Å; F206-C210 PolarHBondContact O-N 3.16Å; F206-C210 PolarHBondContact O-SG 3.3Å; F206-C210 VanDerWaalsContact O-SG 3.39Å; C210-Q212 PolarHBondContact O-N 3.26Å; C210-P235 VanDerWaalsContact SG-CD 3.53Å; C210-R237 PolarHBondContact O-NH2 3Å
211G95.9Very high95Very high0 Ų035.1 Ų35.10%020%0.201CC..SBendtrans84.5-11.6-172.600000114.2M105 H107 G110 M207M105-G211 WeakPolarHBondContact CE-O 3.31Å; H107-G211 WeakPolarHBondContact O-CA 3.36Å; G110-G211 VanDerWaalsContact CA-CA 3.49Å; G110-G211 VanDerWaalsContact CA-N 3.29Å; G110-G211 VanDerWaalsContact N-CA 3.31Å; M207-G211 WeakPolarHBondContact O-CA 3.49Å; M207-G211 PolarHBondContact O-N 3.26Å
212Q94.1Very high94.8Very high95 Ų9539.2 Ų39.244%0.44422%0.22SC..SBendtrans-133.1153.6-171.9-57.9-58.3-36.100110.5E108 F206 M207 C210E108-Q212 PolarHBondContact O-NE2 2.92Å; F206-Q212 VanDerWaalsContact CD1-O 3.24Å; F206-Q212 WeakPolarHBondContact CD1-O 3.48Å; F206-Q212 VanDerWaalsContact CE1-O 3.3Å; F206-Q212 WeakPolarHBondContact CE1-O 3.46Å; M207-Q212 WeakPolarHBondContact CG-O 3.17Å; C210-Q212 PolarHBondContact O-N 3.26Å
213P94.6Very high94.5Very high30 Ų3039.3 Ų39.320%0.19522%0.22CC..  trans-61.2149.5171.126.6-36.1000112.6M207 F215 Q216M207-P213 HydrophobicContact SD-CB 4.33Å; P213-F215 VanDerWaalsContact C-N 3.33Å; P213-Q216 HydrophobicContact CB-CB 4.36Å; P213-Q216 HydrophobicContact CG-CB 3.58Å; P213-Q216 HydrophobicContact CG-CG 4.18Å
214P96.2Very high94.3Very high12 Ų1242.2 Ų42.28%0.07824%0.236CC..SBendtrans-72.5-24177.126.9-31.9000113.8V203 F206 Y232 L250V203-P214 HydrophobicContact CB-CG 4.3Å; V203-P214 HydrophobicContact CG1-CG 3.94Å; V203-P214 HydrophobicContact CG2-CG 4.08Å; F206-P214 HydrophobicContact CB-CB 4.26Å; F206-P214 HydrophobicContact CB-CG 4.34Å; F206-P214 HydrophobicContact CD1-CB 3.64Å; F206-P214 HydrophobicContact CD1-CG 4.13Å; F206-P214 HydrophobicContact CD2-CB 4.05Å; F206-P214 VanDerWaalsContact CE1-CA 3.43Å; F206-P214 HydrophobicContact CE1-CB 3.9Å; F206-P214 HydrophobicContact CE2-CB 4.29Å; F206-P214 HydrophobicContact CG-CB 3.72Å; F206-P214 HydrophobicContact CG-CG 4.26Å; F206-P214 HydrophobicContact CZ-CB 4.21Å; P214-Y232 HydrophobicContact CB-CG 4.37Å; P214-Y232 VanDerWaalsContact O-CB 3.29Å; P214-Y232 WeakPolarHBondContact O-CB 3.18Å; P214-L250 HydrophobicContact CB-CD1 4.3Å; P214-L250 HydrophobicContact CG-CD1 4.42Å
215F94.9Very high94.1Very high1 Ų146.1 Ų46.10%0.00426%0.259CS..SBendtrans-131.6105.2178.8-42.5-74.1000108.4W199 V203 P213 T223 M226 I227 Y232 L250W199-F215 AromaticContact CH2-CE2 3.88Å; W199-F215 HydrophobicContact CH2-CE2 3.88Å; W199-F215 AromaticContact CH2-CZ 3.7Å; W199-F215 HydrophobicContact CH2-CZ 3.7Å; W199-F215 HydrophobicContact CZ2-CD2 4.22Å; W199-F215 AromaticContact CZ2-CE2 3.33Å; W199-F215 HydrophobicContact CZ2-CE2 3.33Å; W199-F215 AromaticContact CZ2-CZ 3.67Å; W199-F215 HydrophobicContact CZ2-CZ 3.67Å; V203-F215 HydrophobicContact CG2-CE2 4.5Å; P213-F215 VanDerWaalsContact C-N 3.33Å; F215-T223 HydrophobicContact CB-CG2 4.41Å; F215-M226 HydrophobicContact CD1-CB 4.32Å; F215-I227 HydrophobicContact CB-CD1 4.33Å; F215-I227 HydrophobicContact CB-CG1 3.61Å; F215-I227 HydrophobicContact CD1-CG1 4.31Å; F215-I227 HydrophobicContact CD2-CG1 3.73Å; F215-I227 HydrophobicContact CG-CG1 3.62Å; F215-Y232 AromaticContact CE1-CD1 3.82Å; F215-Y232 HydrophobicContact CE1-CD1 3.82Å; F215-Y232 HydrophobicContact CE1-CG 4.24Å; F215-Y232 AromaticContact CZ-CD1 3.92Å; F215-Y232 HydrophobicContact CZ-CD1 3.92Å; F215-Y232 HydrophobicContact CZ-CG 4.48Å; F215-L250 HydrophobicContact CE2-CD2 4.47Å; F215-L250 HydrophobicContact CZ-CD1 4.4Å
216Q90.4Very high93.9Very high113 Ų11348.4 Ų48.453%0.52827%0.271SS..  trans-157.2116.7174-179.566.171.400108.9P213P213-Q216 HydrophobicContact CB-CB 4.36Å; P213-Q216 HydrophobicContact CG-CB 3.58Å; P213-Q216 HydrophobicContact CG-CG 4.18Å
217E92Very high93.7Very high84 Ų8447.9 Ų47.939%0.39327%0.268SS..  trans-118.7-179.3173.5-64.3-64.5168.800109.8N219 E222 T223 M226E217-N219 VanDerWaalsContact C-N 3.31Å; E217-E222 HydrophobicContact CB-CB 3.62Å; E217-E222 HydrophobicContact CG-CB 3.97Å; E217-T223 PolarHBondContact N-OG1 3.3Å; E217-M226 HydrophobicContact CG-CG 4.01Å
218A88.9Confident93.5Very high96 Ų9649.1 Ų49.179%0.79327%0.274SS*.SBendtrans-70.3-27.1177.700000113.1
219N90.9Very high93.4Very high84 Ų8453.3 Ų53.345%0.44930%0.297SS..SBendtrans-117142.3178.6-59.8-66.2000111.7E217 S221 E222 T223E217-N219 VanDerWaalsContact C-N 3.31Å; N219-S221 PolarHBondContact O-N 2.85Å; N219-E222 HydrophobicContact CB-CB 4.32Å; N219-E222 HydrophobicContact CB-CG 4.13Å; N219-E222 WeakPolarHBondContact CB-OE2 3.41Å; N219-E222 PolarHBondContact N-OE2 3.13Å; N219-E222 PolarHBondContact ND2-OE1 3.42Å; N219-E222 PolarHBondContact ND2-OE2 2.7Å; N219-E222 PolarHBondContact O-N 3.38Å; N219-E222 VanDerWaalsContact O-N 3.08Å; N219-T223 PolarHBondContact O-N 3.14Å; N219-T223 PolarHBondContact O-OG1 2.77Å; N219-T223 VanDerWaalsContact O-OG1 3.12Å
220D89.1Confident93.3Very high117 Ų11754.4 Ų54.463%0.62630%0.304SS*.Hα-helixtrans-59.1-36.2175.8-70.7-26.8000112.2L178 E222 T223 L224L178-D220 HydrophobicContact CD2-CB 3.93Å; D220-E222 VanDerWaalsContact C-N 3.32Å; D220-E222 PolarHBondContact O-N 2.71Å; D220-T223 PolarHBondContact O-N 3.34Å; D220-L224 VanDerWaalsContact O-CB 3.26Å; D220-L224 WeakPolarHBondContact O-CB 3.49Å; D220-L224 PolarHBondContact O-N 3.29Å
221S90Very high93.2Very high86 Ų8660 Ų6060%0.60133%0.328SS*.Hα-helixtrans-65.1-32.7176.4-53.50000113.3N219 T225N219-S221 PolarHBondContact O-N 2.85Å; S221-T225 PolarHBondContact O-N 2.81Å; S221-T225 VanDerWaalsContact O-N 3.1Å; S221-T225 PolarHBondContact O-OG1 2.94Å
222E92.6Very high93.2Very high86 Ų8662.1 Ų62.140%0.40234%0.336SS..Hα-helixtrans-76.8-43176.4-71.2158.8-175.400110E217 N219 D220 L224 T225 M226E217-E222 HydrophobicContact CB-CB 3.62Å; E217-E222 HydrophobicContact CG-CB 3.97Å; N219-E222 HydrophobicContact CB-CB 4.32Å; N219-E222 HydrophobicContact CB-CG 4.13Å; N219-E222 WeakPolarHBondContact CB-OE2 3.41Å; N219-E222 PolarHBondContact N-OE2 3.13Å; N219-E222 PolarHBondContact ND2-OE1 3.42Å; N219-E222 PolarHBondContact ND2-OE2 2.7Å; N219-E222 PolarHBondContact O-N 3.38Å; N219-E222 VanDerWaalsContact O-N 3.08Å; D220-E222 VanDerWaalsContact C-N 3.32Å; D220-E222 PolarHBondContact O-N 2.71Å; E222-L224 VanDerWaalsContact C-N 3.35Å; E222-L224 PolarHBondContact O-N 2.81Å; E222-T225 WeakPolarHBondContact O-CA 3.44Å; E222-T225 WeakPolarHBondContact O-CB 3.46Å; E222-T225 PolarHBondContact O-N 3.3Å; E222-M226 WeakPolarHBondContact O-CG 3.39Å; E222-M226 PolarHBondContact O-N 2.89Å
223T92.8Very high93.3Very high2 Ų263.5 Ų63.51%0.01235%0.351CS..Hα-helixtrans-57.1-46.4172.4-55.80000111.3L178 F215 E217 N219 D220 T225 M226 I227L178-T223 HydrophobicContact CD2-CG2 4.49Å; F215-T223 HydrophobicContact CB-CG2 4.41Å; E217-T223 PolarHBondContact N-OG1 3.3Å; N219-T223 PolarHBondContact O-N 3.14Å; N219-T223 PolarHBondContact O-OG1 2.77Å; N219-T223 VanDerWaalsContact O-OG1 3.12Å; D220-T223 PolarHBondContact O-N 3.34Å; T223-T225 VanDerWaalsContact C-N 3.33Å; T223-T225 PolarHBondContact O-N 3.07Å; T223-M226 PolarHBondContact O-N 3.03Å; T223-I227 HydrophobicContact CG2-CD1 4.11Å; T223-I227 WeakPolarHBondContact O-CG1 3.41Å; T223-I227 PolarHBondContact O-N 3.5Å
224L91.9Very high93.3Very high61 Ų6163 Ų6332%0.31935%0.348SS..Hα-helixtrans-58.1-42.7172.917762.8000111.9L178 L186 D220 E222 I227 M228L178-L224 HydrophobicContact CD1-CD1 4.28Å; L186-L224 HydrophobicContact CB-CD1 4.02Å; L186-L224 HydrophobicContact CD1-CD1 3.83Å; L186-L224 HydrophobicContact CG-CD1 4.4Å; D220-L224 VanDerWaalsContact O-CB 3.26Å; D220-L224 WeakPolarHBondContact O-CB 3.49Å; D220-L224 PolarHBondContact O-N 3.29Å; E222-L224 VanDerWaalsContact C-N 3.35Å; E222-L224 PolarHBondContact O-N 2.81Å; L224-I227 PolarHBondContact O-N 3.4Å; L224-M228 HydrophobicContact CD1-CE 3.75Å; L224-M228 HydrophobicContact CD1-CG 4.34Å; L224-M228 WeakPolarHBondContact O-CB 3.39Å; L224-M228 WeakPolarHBondContact O-CG 3.3Å; L224-M228 PolarHBondContact O-N 3.02Å
225T93.5Very high93.3Very high81 Ų8164.1 Ų64.150%0.49736%0.355SS..Hα-helixtrans-64.3-41.8177.3-57.50000111.3S221 E222 T223 M228 D229S221-T225 PolarHBondContact O-N 2.81Å; S221-T225 VanDerWaalsContact O-N 3.1Å; S221-T225 PolarHBondContact O-OG1 2.94Å; E222-T225 WeakPolarHBondContact O-CA 3.44Å; E222-T225 WeakPolarHBondContact O-CB 3.46Å; E222-T225 PolarHBondContact O-N 3.3Å; T223-T225 VanDerWaalsContact C-N 3.33Å; T223-T225 PolarHBondContact O-N 3.07Å; T225-M228 PolarHBondContact O-N 3.22Å; T225-D229 WeakPolarHBondContact O-CB 3.38Å; T225-D229 PolarHBondContact O-N 3.47Å
226M94.8Very high93.2Very high48 Ų4870.3 Ų70.324%0.23640%0.395CS..Hα-helixtrans-66.6-36.3177.4-70.2-71.4-85.200112.7F215 E217 E222 T223 C230 K231F215-M226 HydrophobicContact CD1-CB 4.32Å; E217-M226 HydrophobicContact CG-CG 4.01Å; E222-M226 WeakPolarHBondContact O-CG 3.39Å; E222-M226 PolarHBondContact O-N 2.89Å; T223-M226 PolarHBondContact O-N 3.03Å; M226-C230 WeakPolarHBondContact O-CA 3.49Å; M226-C230 PolarHBondContact O-N 3.22Å; M226-K231 HydrophobicContact CE-CB 4.45Å; M226-K231 VanDerWaalsContact CE-O 3.23Å; M226-K231 WeakPolarHBondContact CE-O 3.37Å; M226-K231 PolarHBondContact O-N 2.78Å; M226-K231 HydrophobicContact SD-CB 4.09Å; M226-K231 HydrophobicContact SD-CD 4.06Å; M226-K231 HydrophobicContact SD-CG 4.36Å
227I95.3Very high93.3Very high0 Ų070.7 Ų70.70%039%0.392CS..Hα-helixtrans-64.5-47.9171-68.5160.2000110.8L178 P183 L186 W199 F215 T223 L224 C230L178-I227 HydrophobicContact CD1-CD1 4.07Å; L178-I227 HydrophobicContact CG-CD1 4.27Å; L178-I227 VanDerWaalsContact O-CD1 3.3Å; L178-I227 WeakPolarHBondContact O-CD1 3.42Å; P183-I227 HydrophobicContact CB-CG2 4.17Å; L186-I227 HydrophobicContact CD1-CB 4.47Å; L186-I227 HydrophobicContact CD1-CD1 4.16Å; L186-I227 HydrophobicContact CD1-CG2 3.73Å; W199-I227 HydrophobicContact CZ2-CG2 3.99Å; F215-I227 HydrophobicContact CB-CD1 4.33Å; F215-I227 HydrophobicContact CB-CG1 3.61Å; F215-I227 HydrophobicContact CD1-CG1 4.31Å; F215-I227 HydrophobicContact CD2-CG1 3.73Å; F215-I227 HydrophobicContact CG-CG1 3.62Å; T223-I227 HydrophobicContact CG2-CD1 4.11Å; T223-I227 WeakPolarHBondContact O-CG1 3.41Å; T223-I227 PolarHBondContact O-N 3.5Å; L224-I227 PolarHBondContact O-N 3.4Å; I227-C230 WeakPolarHBondContact O-CA 3.37Å; I227-C230 PolarHBondContact O-N 3.2Å
228M93.4Very high93.6Very high28 Ų2867 Ų6714%0.13838%0.375CS..Hα-helixtrans-62.2-45.2179.7-71.2-67.617300111.7P183 L186 L187 L224 T225 C230 R252P183-M228 HydrophobicContact CB-SD 4.04Å; L186-M228 HydrophobicContact CB-CE 3.54Å; L187-M228 HydrophobicContact CD1-SD 4.44Å; L187-M228 HydrophobicContact CD2-CE 3.75Å; L187-M228 HydrophobicContact CD2-SD 3.83Å; L187-M228 HydrophobicContact CG-CE 3.81Å; L187-M228 HydrophobicContact CG-SD 3.93Å; L224-M228 HydrophobicContact CD1-CE 3.75Å; L224-M228 HydrophobicContact CD1-CG 4.34Å; L224-M228 WeakPolarHBondContact O-CB 3.39Å; L224-M228 WeakPolarHBondContact O-CG 3.3Å; L224-M228 PolarHBondContact O-N 3.02Å; T225-M228 PolarHBondContact O-N 3.22Å; M228-C230 PolarHBondContact O-N 3.47Å; M228-R252 WeakPolarHBondContact O-CD 3.24Å; M228-R252 PolarHBondContact O-NE 3.35Å; M228-R252 VanDerWaalsContact O-NE 3.14Å; M228-R252 PolarHBondContact O-NH1 3.04Å
229D94.8Very high94Very high89 Ų8964.4 Ų64.448%0.47635%0.351SS..THydrogen-bonded Turntrans-73.7-6173.9-80.90.8000113.3T225 K231 R252T225-D229 WeakPolarHBondContact O-CB 3.38Å; T225-D229 PolarHBondContact O-N 3.47Å; D229-K231 HydrophobicContact CB-CB 4.05Å; D229-K231 HydrophobicContact CB-CD 4.42Å; D229-K231 PolarHBondContact O-N 3.06Å; D229-R252 IonicContact OD1-NH1 3.71Å
230C96.2Very high94.3Very high23 Ų2364.4 Ų64.416%0.15536%0.363CS..THydrogen-bonded Turntrans52.743.4-178.7-170.90000111.9W199 M226 I227 M228 L250 R252W199-C230 HydrophobicContact CH2-CB 4.33Å; M226-C230 WeakPolarHBondContact O-CA 3.49Å; M226-C230 PolarHBondContact O-N 3.22Å; I227-C230 WeakPolarHBondContact O-CA 3.37Å; I227-C230 PolarHBondContact O-N 3.2Å; M228-C230 PolarHBondContact O-N 3.47Å; C230-L250 PolarHBondContact SG-O 3.1Å; C230-R252 HydrophobicContact CB-CB 3.89Å
231K94.4Very high94.6Very high125 Ų12560.2 Ų60.254%0.54335%0.347SS..  trans-111.7108-162.8-161.5178.5-171.4179.70110.6M226 D229M226-K231 HydrophobicContact CE-CB 4.45Å; M226-K231 VanDerWaalsContact CE-O 3.23Å; M226-K231 WeakPolarHBondContact CE-O 3.37Å; M226-K231 PolarHBondContact O-N 2.78Å; M226-K231 HydrophobicContact SD-CB 4.09Å; M226-K231 HydrophobicContact SD-CD 4.06Å; M226-K231 HydrophobicContact SD-CG 4.36Å; D229-K231 HydrophobicContact CB-CB 4.05Å; D229-K231 HydrophobicContact CB-CD 4.42Å; D229-K231 PolarHBondContact O-N 3.06Å
232Y96.3Very high95Very high44 Ų4456.1 Ų56.117%0.17332%0.319CS..  trans-146.5161.4-176.963.9-81.4000110.4F206 P214 F215 V234 I246 T247 L250F206-Y232 HydrophobicContact CD2-CD2 4.01Å; F206-Y232 HydrophobicContact CD2-CE2 4.34Å; F206-Y232 AromaticContact CE2-CD2 3.8Å; F206-Y232 HydrophobicContact CE2-CD2 3.8Å; F206-Y232 HydrophobicContact CE2-CE2 4.46Å; P214-Y232 HydrophobicContact CB-CG 4.37Å; P214-Y232 VanDerWaalsContact O-CB 3.29Å; P214-Y232 WeakPolarHBondContact O-CB 3.18Å; F215-Y232 AromaticContact CE1-CD1 3.82Å; F215-Y232 HydrophobicContact CE1-CD1 3.82Å; F215-Y232 HydrophobicContact CE1-CG 4.24Å; F215-Y232 AromaticContact CZ-CD1 3.92Å; F215-Y232 HydrophobicContact CZ-CD1 3.92Å; F215-Y232 HydrophobicContact CZ-CG 4.48Å; Y232-V234 HydrophobicContact CD2-CG2 4Å; Y232-V234 HydrophobicContact CE2-CG2 3.64Å; Y232-I246 HydrophobicContact CE2-CG2 3.78Å; Y232-T247 WeakPolarHBondContact OH-CA 3.44Å; Y232-T247 WeakPolarHBondContact OH-CG2 3.29Å; Y232-L250 HydrophobicContact CD1-CD1 4.28Å; Y232-L250 HydrophobicContact CD2-CD1 4.41Å; Y232-L250 HydrophobicContact CE1-CB 3.74Å; Y232-L250 HydrophobicContact CE1-CD1 3.93Å; Y232-L250 HydrophobicContact CE2-CD1 4.06Å
233T95.7Very high95.3Very high123 Ų12356 Ų5676%0.75531%0.314SS*.  trans-121.7119.4-178.450.30000111.4
234V95.7Very high95.5Very high21 Ų2158.7 Ų58.713%0.12733%0.329CS..  trans-87.4120.3176.9179.50000109.5F206 Y232 V238 R243F206-V234 HydrophobicContact CD2-CG2 4.21Å; F206-V234 HydrophobicContact CE2-CG2 3.97Å; Y232-V234 HydrophobicContact CD2-CG2 4Å; Y232-V234 HydrophobicContact CE2-CG2 3.64Å; V234-V238 HydrophobicContact CG1-CB 3.67Å; V234-V238 HydrophobicContact CG1-CG1 3.78Å; V234-V238 HydrophobicContact CG1-CG2 4.09Å; V234-R243 HydrophobicContact CB-CG 4.3Å; V234-R243 HydrophobicContact CG1-CB 4.41Å; V234-R243 HydrophobicContact CG1-CG 4.14Å; V234-R243 HydrophobicContact CG2-CG 4.45Å; V234-R243 PolarHBondContact O-NH1 2.89Å
235P94.8Very high95.8Very high35 Ų3555.9 Ų55.923%0.22731%0.314CS..  trans-54.3147.7-177.1-28.936.1000113.7C210 R237 V238 R243C210-P235 VanDerWaalsContact SG-CD 3.53Å; P235-R237 HydrophobicContact CB-CG 3.98Å; P235-R237 PolarHBondContact O-N 3.47Å; P235-R237 VanDerWaalsContact O-N 3.11Å; P235-V238 HydrophobicContact CB-CG2 4.43Å; P235-V238 PolarHBondContact O-N 2.98Å; P235-V238 VanDerWaalsContact O-N 3.09Å; P235-R243 PolarHBondContact O-NH2 2.83Å
236P92.9Very high96Very high131 Ų13152 Ų5285%0.85129%0.29SS*.THydrogen-bonded Turntrans-59-25.9-178.5-26.935.7000115V238P236-V238 VanDerWaalsContact C-N 3.28Å; P236-V238 PolarHBondContact O-N 3.34Å
237R94.3Very high96.2Very high121 Ų12152 Ų5246%0.45729%0.294SS..THydrogen-bonded Turntrans-68.8-18.8177.260.5177.5174.373.94.1114.7E109 V209 C210 P235E109-R237 PolarHBondContact O-NH1 2.91Å; E109-R237 PolarHBondContact O-NH2 2.92Å; V209-R237 PolarHBondContact O-NH1 3.14Å; C210-R237 PolarHBondContact O-NH2 3Å; P235-R237 HydrophobicContact CB-CG 3.98Å; P235-R237 PolarHBondContact O-N 3.47Å; P235-R237 VanDerWaalsContact O-N 3.11Å
238V96.9Very high96.3Very high5 Ų557.1 Ų57.13%0.0331%0.313CS..SBendtrans-81.2129.1179.3178.50000110E113 V209 V234 P235 P236 C242 R243E113-V238 WeakPolarHBondContact OE1-CA 3.24Å; V209-V238 HydrophobicContact CB-CG2 4.41Å; V209-V238 HydrophobicContact CG2-CG1 4.02Å; V209-V238 HydrophobicContact CG2-CG2 3.99Å; V234-V238 HydrophobicContact CG1-CB 3.67Å; V234-V238 HydrophobicContact CG1-CG1 3.78Å; V234-V238 HydrophobicContact CG1-CG2 4.09Å; P235-V238 HydrophobicContact CB-CG2 4.43Å; P235-V238 PolarHBondContact O-N 2.98Å; P235-V238 VanDerWaalsContact O-N 3.09Å; P236-V238 VanDerWaalsContact C-N 3.28Å; P236-V238 PolarHBondContact O-N 3.34Å; V238-C242 HydrophobicContact CG1-CB 3.7Å; V238-R243 PolarHBondContact O-NH2 2.84Å
239S97.2Very high96.5Very high43 Ų4355.8 Ų55.830%0.30131%0.306SS..  trans-58.8153-173.876.50000113.2E113 G241 C242 R243E113-S239 WeakPolarHBondContact OE1-CB 3.47Å; E113-S239 PolarHBondContact OE1-N 3.34Å; E113-S239 PolarHBondContact OE1-OG 2.81Å; E113-S239 WeakPolarHBondContact OE2-CB 3.5Å; E113-S239 PolarHBondContact OE2-OG 3.14Å; S239-G241 PolarHBondContact O-N 2.71Å; S239-C242 PolarHBondContact O-N 2.86Å; S239-C242 WeakPolarHBondContact OG-CB 3.05Å; S239-C242 PolarHBondContact OG-N 3.33Å; S239-C242 VanDerWaalsContact OG-N 3.15Å; S239-R243 VanDerWaalsContact O-CB 3.27Å; S239-R243 WeakPolarHBondContact O-CB 3.48Å; S239-R243 PolarHBondContact O-N 2.82Å
240A97.1Very high96.7Very high83 Ų8351.6 Ų51.669%0.68628%0.284SS*.Hα-helixtrans-58.6-35.5176.300000112.6D244A240-D244 WeakPolarHBondContact O-CB 3.42Å; A240-D244 PolarHBondContact O-N 2.78Å
241G96.8Very high96.7Very high30 Ų3052.6 Ų52.631%0.30929%0.286SS..Hα-helixtrans-69.4-41.9177.200000113.4S239 L245 H266S239-G241 PolarHBondContact O-N 2.71Å; G241-L245 PolarHBondContact O-N 2.89Å; G241-H266 PolarHBondContact O-CE1 2.89Å; G241-H266 VanDerWaalsContact O-CE1 3.31Å
242C97.8Very high96.7Very high0 Ų052.5 Ų52.50%028%0.282CS..Hα-helixtrans-65.4-43.7174-172.40000111E113 V238 S239 D244 L245 I246 W268E113-C242 WeakPolarHBondContact OE2-CB 3.33Å; V238-C242 HydrophobicContact CG1-CB 3.7Å; S239-C242 PolarHBondContact O-N 2.86Å; S239-C242 WeakPolarHBondContact OG-CB 3.05Å; S239-C242 PolarHBondContact OG-N 3.33Å; S239-C242 VanDerWaalsContact OG-N 3.15Å; C242-D244 PolarHBondContact O-N 2.91Å; C242-L245 PolarHBondContact O-N 3.22Å; C242-I246 WeakPolarHBondContact O-CG1 3.24Å; C242-I246 PolarHBondContact O-N 3.48Å; C242-W268 HydrophobicContact CB-CD2 4.35Å; C242-W268 HydrophobicContact CB-CG 4.32Å; C242-W268 HydrophobicContact CB-CZ2 4.38Å
243R97.9Very high96.6Very high82 Ų8253.7 Ų53.731%0.30929%0.291SS..Hα-helixtrans-58.9-46178.1-171-176-53.5-94.4-13.3112.3V234 P235 V238 S239 I246 T247V234-R243 HydrophobicContact CB-CG 4.3Å; V234-R243 HydrophobicContact CG1-CB 4.41Å; V234-R243 HydrophobicContact CG1-CG 4.14Å; V234-R243 HydrophobicContact CG2-CG 4.45Å; V234-R243 PolarHBondContact O-NH1 2.89Å; P235-R243 PolarHBondContact O-NH2 2.83Å; V238-R243 PolarHBondContact O-NH2 2.84Å; S239-R243 VanDerWaalsContact O-CB 3.27Å; S239-R243 WeakPolarHBondContact O-CB 3.48Å; S239-R243 PolarHBondContact O-N 2.82Å; R243-I246 PolarHBondContact O-N 2.88Å; R243-T247 WeakPolarHBondContact O-CG2 3.35Å; R243-T247 PolarHBondContact O-N 2.89Å; R243-T247 PolarHBondContact O-OG1 2.67Å
244D98.1Very high96.5Very high60 Ų6049.5 Ų49.532%0.32127%0.266SS..Hα-helixtrans-57.5-51.5175.2-170.566.5000110.7A240 C242 I246 T247 R248 H266A240-D244 WeakPolarHBondContact O-CB 3.42Å; A240-D244 PolarHBondContact O-N 2.78Å; C242-D244 PolarHBondContact O-N 2.91Å; D244-I246 PolarHBondContact O-N 2.92Å; D244-T247 WeakPolarHBondContact CA-OG1 3.24Å; D244-T247 CarbonylContact O-C 3.54Å; D244-T247 PolarHBondContact O-N 3.48Å; D244-T247 PolarHBondContact O-OG1 2.66Å; D244-R248 WeakPolarHBondContact O-CG 3.48Å; D244-R248 PolarHBondContact O-N 2.64Å; D244-R248 IonicContact OD1-NE 3.56Å; D244-R248 IonicContact OD1-NH2 2.77Å; D244-R248 IonicContact OD2-CZ 3.49Å; D244-R248 IonicContact OD2-NE 2.71Å; D244-R248 PolarHBondContact OD2-NE 2.98Å; D244-R248 IonicContact OD2-NH2 3.72Å; D244-R248 PolarHBondContact OD2-NH2 3.24Å; D244-H266 IonicContact OD2-CE1 2.79Å; D244-H266 IonicContact OD2-NE2 3.34Å; D244-H266 PolarHBondContact OD2-NE2 3.41Å; D244-H266 VanDerWaalsContact OD2-NE2 3.14Å
245L98.2Very high96.4Very high1 Ų157.6 Ų57.61%0.00530%0.3CS..Hα-helixtrans-59-44.7179.9-175.453.9000113F120 L205 G241 C242 T247 R248 M249 I263 H266 W268 L269F120-L245 HydrophobicContact CE1-CD2 4.19Å; L205-L245 HydrophobicContact CD2-CB 4.28Å; L205-L245 HydrophobicContact CD2-CD2 3.82Å; L205-L245 HydrophobicContact CD2-CG 3.8Å; G241-L245 PolarHBondContact O-N 2.89Å; C242-L245 PolarHBondContact O-N 3.22Å; L245-T247 PolarHBondContact O-N 2.93Å; L245-R248 PolarHBondContact O-N 3.09Å; L245-M249 HydrophobicContact CD1-CE 4.43Å; L245-M249 HydrophobicContact CG-CE 4.11Å; L245-M249 PolarHBondContact O-N 3.13Å; L245-I263 HydrophobicContact CD1-CB 4.5Å; L245-I263 HydrophobicContact CD1-CG1 4.13Å; L245-I263 HydrophobicContact CD1-CG2 4.3Å; L245-H266 HydrophobicContact CD1-CB 4.05Å; L245-H266 HydrophobicContact CD2-CB 4.42Å; L245-W268 HydrophobicContact CD2-CB 4.43Å; L245-W268 HydrophobicContact CD2-CD2 4.48Å; L245-W268 HydrophobicContact CD2-CE3 3.71Å; L245-W268 HydrophobicContact CD2-CZ3 4.4Å; L245-L269 HydrophobicContact CD2-CG 4.45Å
246I98.3Very high96.5Very high0 Ų063.8 Ų63.80%032%0.319CS..Hα-helixtrans-58.8-48173.5-66168.1000110.2L205 F206 V209 Y232 C242 R243 D244 R248 M249 L250L205-I246 HydrophobicContact CB-CG1 4.34Å; L205-I246 HydrophobicContact CD2-CG1 3.62Å; L205-I246 HydrophobicContact CG-CD1 4.24Å; L205-I246 HydrophobicContact CG-CG1 3.71Å; F206-I246 HydrophobicContact CB-CD1 4.46Å; F206-I246 HydrophobicContact CB-CG2 4.47Å; F206-I246 HydrophobicContact CD2-CD1 4.45Å; F206-I246 HydrophobicContact CD2-CG2 4.32Å; V209-I246 HydrophobicContact CG2-CD1 4.04Å; Y232-I246 HydrophobicContact CE2-CG2 3.78Å; C242-I246 WeakPolarHBondContact O-CG1 3.24Å; C242-I246 PolarHBondContact O-N 3.48Å; R243-I246 PolarHBondContact O-N 2.88Å; D244-I246 PolarHBondContact O-N 2.92Å; I246-R248 VanDerWaalsContact C-N 3.26Å; I246-R248 PolarHBondContact O-N 3.28Å; I246-M249 PolarHBondContact O-N 3.2Å; I246-M249 VanDerWaalsContact O-N 3.12Å; I246-L250 HydrophobicContact CG2-CD1 3.84Å; I246-L250 HydrophobicContact CG2-CG 4.36Å; I246-L250 PolarHBondContact O-N 3.3Å
247T97.6Very high96.7Very high49 Ų4958.5 Ų58.530%0.30128%0.282SS..Hα-helixtrans-66.1-23.1-18058.20000114.3Y232 R243 D244 L245 Q251Y232-T247 WeakPolarHBondContact OH-CA 3.44Å; Y232-T247 WeakPolarHBondContact OH-CG2 3.29Å; R243-T247 WeakPolarHBondContact O-CG2 3.35Å; R243-T247 PolarHBondContact O-N 2.89Å; R243-T247 PolarHBondContact O-OG1 2.67Å; D244-T247 WeakPolarHBondContact CA-OG1 3.24Å; D244-T247 CarbonylContact O-C 3.54Å; D244-T247 PolarHBondContact O-N 3.48Å; D244-T247 PolarHBondContact O-OG1 2.66Å; L245-T247 PolarHBondContact O-N 2.93Å; T247-Q251 PolarHBondContact O-NE2 3.12Å
248R98Very high96.8Very high107 Ų10753 Ų5340%0.40426%0.263SS..Hα-helixtrans-78.8-22.8172.5-67.7-170.4-160.2-149.59.4113.8D244 L245 I246 R257 A258D244-R248 WeakPolarHBondContact O-CG 3.48Å; D244-R248 PolarHBondContact O-N 2.64Å; D244-R248 IonicContact OD1-NE 3.56Å; D244-R248 IonicContact OD1-NH2 2.77Å; D244-R248 IonicContact OD2-CZ 3.49Å; D244-R248 IonicContact OD2-NE 2.71Å; D244-R248 PolarHBondContact OD2-NE 2.98Å; D244-R248 IonicContact OD2-NH2 3.72Å; D244-R248 PolarHBondContact OD2-NH2 3.24Å; L245-R248 PolarHBondContact O-N 3.09Å; I246-R248 VanDerWaalsContact C-N 3.26Å; I246-R248 PolarHBondContact O-N 3.28Å; R248-R257 CarbonylContact O-C 3.55Å; R248-R257 VanDerWaalsContact O-CA 3.28Å; R248-R257 WeakPolarHBondContact O-CA 3.29Å; R248-A258 HydrophobicContact CB-CB 3.87Å; R248-A258 PolarHBondContact O-N 3.45Å
249M98.3Very high96.6Very high0 Ų055.2 Ų55.20%028%0.278CS..Hα-helixtrans-91.2-43.5176.5-67.6-168-74.900112.1F120 I198 L201 L205 L245 I246 Q251 R257 I263F120-M249 HydrophobicContact CE1-CE 4.01Å; F120-M249 HydrophobicContact CE2-CE 4.31Å; F120-M249 HydrophobicContact CZ-CE 3.47Å; F120-M249 VanDerWaalsContact CZ-CE 3.47Å; F120-M249 HydrophobicContact CZ-SD 3.85Å; I198-M249 HydrophobicContact CG2-CB 4.03Å; I198-M249 HydrophobicContact CG2-CG 3.81Å; I198-M249 HydrophobicContact CG2-SD 4.46Å; L201-M249 HydrophobicContact CB-SD 3.66Å; L205-M249 HydrophobicContact CB-CE 3.95Å; L205-M249 HydrophobicContact CD2-CE 3.49Å; L205-M249 VanDerWaalsContact CD2-CE 3.49Å; L205-M249 HydrophobicContact CG-CE 4.37Å; L245-M249 HydrophobicContact CD1-CE 4.43Å; L245-M249 HydrophobicContact CG-CE 4.11Å; L245-M249 PolarHBondContact O-N 3.13Å; I246-M249 PolarHBondContact O-N 3.2Å; I246-M249 VanDerWaalsContact O-N 3.12Å; M249-Q251 VanDerWaalsContact C-N 3.33Å; M249-Q251 PolarHBondContact O-N 3.12Å; M249-R257 WeakPolarHBondContact O-CD 3.49Å; M249-R257 WeakPolarHBondContact O-CG 3.44Å; M249-I263 HydrophobicContact CG-CD1 3.84Å; M249-I263 HydrophobicContact CG-CG1 4.32Å; M249-I263 HydrophobicContact SD-CD1 3.85Å; M249-I263 HydrophobicContact SD-CG1 4.38Å
250L97.9Very high96.4Very high1 Ų154.1 Ų54.11%0.00527%0.269CS..  trans-84.375.7176.6-61.2-177.4000110.6W199 V203 P214 F215 C230 Y232 I246W199-L250 HydrophobicContact CD2-CD2 3.81Å; W199-L250 HydrophobicContact CE3-CD2 3.87Å; W199-L250 HydrophobicContact CG-CD2 4.32Å; W199-L250 HydrophobicContact CH2-CD2 4.41Å; W199-L250 HydrophobicContact CZ2-CD2 4.33Å; W199-L250 HydrophobicContact CZ3-CB 4.38Å; W199-L250 HydrophobicContact CZ3-CD2 4.18Å; W199-L250 WeakPolarHBondContact O-CD2 3.29Å; V203-L250 HydrophobicContact CG2-CD2 3.93Å; P214-L250 HydrophobicContact CB-CD1 4.3Å; P214-L250 HydrophobicContact CG-CD1 4.42Å; F215-L250 HydrophobicContact CE2-CD2 4.47Å; F215-L250 HydrophobicContact CZ-CD1 4.4Å; C230-L250 PolarHBondContact SG-O 3.1Å; Y232-L250 HydrophobicContact CD1-CD1 4.28Å; Y232-L250 HydrophobicContact CD2-CD1 4.41Å; Y232-L250 HydrophobicContact CE1-CB 3.74Å; Y232-L250 HydrophobicContact CE1-CD1 3.93Å; Y232-L250 HydrophobicContact CE2-CD1 4.06Å; I246-L250 HydrophobicContact CG2-CD1 3.84Å; I246-L250 HydrophobicContact CG2-CG 4.36Å; I246-L250 PolarHBondContact O-N 3.3Å
251Q97.3Very high96.1Very high43 Ų4356.9 Ų56.920%0.20127%0.267CS..  trans-116.3135.2167.3-68.6-69.3-49.300110.4T247 M249 D253 R256 R257T247-Q251 PolarHBondContact O-NE2 3.12Å; M249-Q251 VanDerWaalsContact C-N 3.33Å; M249-Q251 PolarHBondContact O-N 3.12Å; Q251-D253 VanDerWaalsContact C-N 3.35Å; Q251-D253 PolarHBondContact O-N 2.67Å; Q251-R256 HydrophobicContact CB-CB 4.16Å; Q251-R256 HydrophobicContact CG-CB 4.26Å; Q251-R256 VanDerWaalsContact OE1-CZ 3.27Å; Q251-R256 VanDerWaalsContact OE1-NH2 3.12Å; Q251-R257 HydrophobicContact CB-CG 3.99Å; Q251-R257 PolarHBondContact O-NE 2.92Å; Q251-R257 PolarHBondContact O-NH2 2.9Å; Q251-R257 VanDerWaalsContact O-NH2 3.17Å
252R94.6Very high96Very high124 Ų12460.2 Ų60.247%0.46828%0.275SS..SBendtrans-57.6-44.6177.1-173.1-175.6176.7144-4.3112.4M228 D229 C230 P254M228-R252 WeakPolarHBondContact O-CD 3.24Å; M228-R252 PolarHBondContact O-NE 3.35Å; M228-R252 VanDerWaalsContact O-NE 3.14Å; M228-R252 PolarHBondContact O-NH1 3.04Å; D229-R252 IonicContact OD1-NH1 3.71Å; C230-R252 HydrophobicContact CB-CB 3.89Å; R252-P254 WeakPolarHBondContact O-CD 3.14Å
253D94.3Very high95.9Very high68 Ų6860.2 Ų60.236%0.36428%0.275SS..SBendtrans-80.3117.3174.7178.20.9000109.6Q251 K255 R256Q251-D253 VanDerWaalsContact C-N 3.35Å; Q251-D253 PolarHBondContact O-N 2.67Å; D253-K255 PolarHBondContact O-N 3.48Å; D253-K255 VanDerWaalsContact O-N 3.16Å; D253-K255 WeakPolarHBondContact OD1-CB 3.39Å; D253-K255 PolarHBondContact OD1-N 3.15Å; D253-R256 HydrophobicContact CB-CB 4.27Å; D253-R256 HydrophobicContact CB-CG 4.08Å; D253-R256 PolarHBondContact O-N 3.28Å
254P93.4Very high95.6Very high35 Ų3559.5 Ų59.523%0.22728%0.275CS..G310 helixtrans-57.2-30178.6-24.535.1000113.3E184 A195 R252 R256 R257E184-P254 HydrophobicContact CB-CG 4.37Å; E184-P254 HydrophobicContact CG-CG 3.99Å; A195-P254 HydrophobicContact CB-CB 3.88Å; R252-P254 WeakPolarHBondContact O-CD 3.14Å; P254-R256 PolarHBondContact O-N 3.23Å; P254-R257 PolarHBondContact O-N 2.94Å
255K93Very high95.2Very high192 Ų19260.1 Ų60.184%0.83528%0.284SS*.G310 helixtrans-73.2-11.3179.3-59.6178-179.1176.60113.8D253D253-K255 PolarHBondContact O-N 3.48Å; D253-K255 VanDerWaalsContact O-N 3.16Å; D253-K255 WeakPolarHBondContact OD1-CB 3.39Å; D253-K255 PolarHBondContact OD1-N 3.15Å
256R95.9Very high95.2Very high164 Ų16460.5 Ų60.562%0.61929%0.286SS*.G310 helixtrans-101.3-1.4177.5-67.5-176.860.7-142.4-13.6112.9Q251 D253 P254Q251-R256 HydrophobicContact CB-CB 4.16Å; Q251-R256 HydrophobicContact CG-CB 4.26Å; Q251-R256 VanDerWaalsContact OE1-CZ 3.27Å; Q251-R256 VanDerWaalsContact OE1-NH2 3.12Å; D253-R256 HydrophobicContact CB-CB 4.27Å; D253-R256 HydrophobicContact CB-CG 4.08Å; D253-R256 PolarHBondContact O-N 3.28Å; P254-R256 PolarHBondContact O-N 3.23Å
257R97.2Very high95Very high20 Ų2064.9 Ų64.98%0.07531%0.314CS..SBendtrans-74.8143.3173.5-59.3-177.9-169.2144.311.5109.6E184 A195 I198 R248 M249 Q251 P254E184-R257 IonicContact OE1-CZ 2.73Å; E184-R257 IonicContact OE1-NH1 2.8Å; E184-R257 PolarHBondContact OE1-NH1 2.93Å; E184-R257 IonicContact OE1-NH2 4Å; E184-R257 PolarHBondContact OE1-NH2 2.86Å; E184-R257 IonicContact OE2-CZ 3.37Å; E184-R257 IonicContact OE2-NH1 2.75Å; E184-R257 IonicContact OE2-NH2 2.68Å; E184-R257 PolarHBondContact OE2-NH2 3.19Å; A195-R257 WeakPolarHBondContact O-CD 3.4Å; A195-R257 PolarHBondContact O-NH1 2.54Å; I198-R257 HydrophobicContact CG2-CB 4Å; R248-R257 CarbonylContact O-C 3.55Å; R248-R257 VanDerWaalsContact O-CA 3.28Å; R248-R257 WeakPolarHBondContact O-CA 3.29Å; M249-R257 WeakPolarHBondContact O-CD 3.49Å; M249-R257 WeakPolarHBondContact O-CG 3.44Å; Q251-R257 HydrophobicContact CB-CG 3.99Å; Q251-R257 PolarHBondContact O-NE 2.92Å; Q251-R257 PolarHBondContact O-NH2 2.9Å; Q251-R257 VanDerWaalsContact O-NH2 3.17Å; P254-R257 PolarHBondContact O-N 2.94Å
258A96.3Very high94.9Very high7 Ų763.1 Ų63.16%0.05830%0.302CS..PPolyproline II helixtrans-62.9149.7175.700000112.1R248 E262 I263R248-A258 HydrophobicContact CB-CB 3.87Å; R248-A258 PolarHBondContact O-N 3.45Å; A258-E262 VanDerWaalsContact CA-OE2 3.24Å; A258-E262 WeakPolarHBondContact CA-OE2 3.3Å; A258-E262 HydrophobicContact CB-CB 4.09Å; A258-E262 VanDerWaalsContact CB-OE2 3.29Å; A258-E262 WeakPolarHBondContact CB-OE2 3.36Å; A258-I263 HydrophobicContact CB-CD1 4.3Å; A258-I263 HydrophobicContact CB-CG1 4.01Å
259S94.3Very high94.6Very high50 Ų5058.6 Ų58.635%0.3529%0.286SS..PPolyproline II helixtrans-73.4161.8171.878.80000111.2E261 E262 I263S259-E261 PolarHBondContact O-N 2.87Å; S259-E261 PolarHBondContact OG-N 3.2Å; S259-E262 PolarHBondContact N-OE2 2.83Å; S259-E262 PolarHBondContact O-N 3.34Å; S259-E262 WeakPolarHBondContact OG-CG 3.26Å; S259-E262 PolarHBondContact OG-N 2.92Å; S259-E262 VanDerWaalsContact OG-N 3.13Å; S259-I263 WeakPolarHBondContact O-CD1 3.48Å; S259-I263 VanDerWaalsContact O-CG1 3.3Å; S259-I263 WeakPolarHBondContact O-CG1 3.48Å; S259-I263 PolarHBondContact O-N 2.83Å
260L91.9Very high94.1Very high21 Ų2164.3 Ų64.311%0.1131%0.313CS..Hα-helixtrans-60.9-29.8172.3-71.3-178.6000112.6I127 H131 I198 L201 I263 E264I127-L260 HydrophobicContact CG2-CD1 4.05Å; I127-L260 HydrophobicContact CG2-CD2 4.38Å; H131-L260 HydrophobicContact CB-CD1 4.04Å; H131-L260 WeakPolarHBondContact ND1-CD1 3.13Å; I198-L260 HydrophobicContact CD1-CD2 3.37Å; I198-L260 HydrophobicContact CD1-CG 3.73Å; L201-L260 HydrophobicContact CD1-CD2 3.8Å; L260-I263 HydrophobicContact CD2-CD1 4.33Å; L260-I263 PolarHBondContact O-N 2.91Å; L260-E264 VanDerWaalsContact O-CB 3.3Å; L260-E264 WeakPolarHBondContact O-CB 3.09Å; L260-E264 VanDerWaalsContact O-CG 3.29Å; L260-E264 WeakPolarHBondContact O-CG 3.47Å; L260-E264 PolarHBondContact O-N 3.47Å
261E90.7Very high93.1Very high140 Ų14068.6 Ų68.665%0.65436%0.357SS*.Hα-helixtrans-70.1-37.5177.7-58.8-178.5169.900111.4S259 S265S259-E261 PolarHBondContact O-N 2.87Å; S259-E261 PolarHBondContact OG-N 3.2Å; E261-S265 WeakPolarHBondContact O-CB 3.36Å; E261-S265 PolarHBondContact O-N 3.09Å; E261-S265 VanDerWaalsContact O-N 3.12Å; E261-S265 PolarHBondContact O-OG 2.85Å
262E94.8Very high92.4Very high101 Ų10168.3 Ų68.347%0.47236%0.358SS..Hα-helixtrans-68.8-33172-70.7174.3178.100112.5A258 S259 S265 H266A258-E262 VanDerWaalsContact CA-OE2 3.24Å; A258-E262 WeakPolarHBondContact CA-OE2 3.3Å; A258-E262 HydrophobicContact CB-CB 4.09Å; A258-E262 VanDerWaalsContact CB-OE2 3.29Å; A258-E262 WeakPolarHBondContact CB-OE2 3.36Å; S259-E262 PolarHBondContact N-OE2 2.83Å; S259-E262 PolarHBondContact O-N 3.34Å; S259-E262 WeakPolarHBondContact OG-CG 3.26Å; S259-E262 PolarHBondContact OG-N 2.92Å; S259-E262 VanDerWaalsContact OG-N 3.13Å; E262-S265 PolarHBondContact O-OG 3.44Å; E262-H266 WeakPolarHBondContact O-CB 3.45Å; E262-H266 PolarHBondContact O-N 3.21Å
263I95.8Very high91.3Very high0 Ų064.5 Ų64.50%035%0.347CS..Hα-helixtrans-74-50.1176.4-67.4161000110.5F120 V124 I198 L245 M249 A258 S259 L260 S265 H266 L269F120-I263 HydrophobicContact CE1-CG2 4.29Å; V124-I263 HydrophobicContact CG1-CG2 3.97Å; V124-I263 HydrophobicContact CG2-CG2 3.86Å; I198-I263 HydrophobicContact CD1-CD1 4.06Å; I198-I263 HydrophobicContact CG2-CD1 3.88Å; L245-I263 HydrophobicContact CD1-CB 4.5Å; L245-I263 HydrophobicContact CD1-CG1 4.13Å; L245-I263 HydrophobicContact CD1-CG2 4.3Å; M249-I263 HydrophobicContact CG-CD1 3.84Å; M249-I263 HydrophobicContact CG-CG1 4.32Å; M249-I263 HydrophobicContact SD-CD1 3.85Å; M249-I263 HydrophobicContact SD-CG1 4.38Å; A258-I263 HydrophobicContact CB-CD1 4.3Å; A258-I263 HydrophobicContact CB-CG1 4.01Å; S259-I263 WeakPolarHBondContact O-CD1 3.48Å; S259-I263 VanDerWaalsContact O-CG1 3.3Å; S259-I263 WeakPolarHBondContact O-CG1 3.48Å; S259-I263 PolarHBondContact O-N 2.83Å; L260-I263 HydrophobicContact CD2-CD1 4.33Å; L260-I263 PolarHBondContact O-N 2.91Å; I263-S265 VanDerWaalsContact C-N 3.25Å; I263-S265 PolarHBondContact O-N 3.01Å; I263-H266 VanDerWaalsContact O-CB 3.24Å; I263-H266 WeakPolarHBondContact O-CB 3.44Å; I263-H266 PolarHBondContact O-N 2.88Å; I263-H266 VanDerWaalsContact O-N 3.1Å; I263-L269 HydrophobicContact CG2-CD1 4.47Å
264E90.9Very high89.9Confident67 Ų6764.1 Ų64.131%0.31335%0.348SS..Hα-helixtrans-57.6-36.1177.3-77.6-177.1146.600112.2V124 S128 K132 L260V124-E264 HydrophobicContact CG1-CG 3.67Å; S128-E264 WeakPolarHBondContact CB-OE1 3.45Å; S128-E264 VanDerWaalsContact OG-CD 3.26Å; S128-E264 PolarHBondContact OG-OE1 3.01Å; S128-E264 PolarHBondContact OG-OE2 3.06Å; K132-E264 IonicContact NZ-OE1 3.76Å; K132-E264 IonicContact NZ-OE2 3.45Å; K132-E264 PolarHBondContact NZ-OE2 3.31Å; L260-E264 VanDerWaalsContact O-CB 3.3Å; L260-E264 WeakPolarHBondContact O-CB 3.09Å; L260-E264 VanDerWaalsContact O-CG 3.29Å; L260-E264 WeakPolarHBondContact O-CG 3.47Å; L260-E264 PolarHBondContact O-N 3.47Å
265S91.5Very high88.4Confident72 Ų7262.5 Ų62.550%0.50334%0.338SS..THydrogen-bonded Turntrans-88.2-4.7178.761.20000114.8E261 E262 I263 Q270E261-S265 WeakPolarHBondContact O-CB 3.36Å; E261-S265 PolarHBondContact O-N 3.09Å; E261-S265 VanDerWaalsContact O-N 3.12Å; E261-S265 PolarHBondContact O-OG 2.85Å; E262-S265 PolarHBondContact O-OG 3.44Å; I263-S265 VanDerWaalsContact C-N 3.25Å; I263-S265 PolarHBondContact O-N 3.01Å; S265-Q270 PolarHBondContact O-NE2 3.34Å
266H96.4Very high86.7Confident9 Ų956.2 Ų56.24%0.04232%0.316CS..  trans-60.9135.7-170.2-167.4-95.7000112.9G241 D244 L245 E262 I263 W268 L269 Q270G241-H266 PolarHBondContact O-CE1 2.89Å; G241-H266 VanDerWaalsContact O-CE1 3.31Å; D244-H266 IonicContact OD2-CE1 2.79Å; D244-H266 IonicContact OD2-NE2 3.34Å; D244-H266 PolarHBondContact OD2-NE2 3.41Å; D244-H266 VanDerWaalsContact OD2-NE2 3.14Å; L245-H266 HydrophobicContact CD1-CB 4.05Å; L245-H266 HydrophobicContact CD2-CB 4.42Å; E262-H266 WeakPolarHBondContact O-CB 3.45Å; E262-H266 PolarHBondContact O-N 3.21Å; I263-H266 VanDerWaalsContact O-CB 3.24Å; I263-H266 WeakPolarHBondContact O-CB 3.44Å; I263-H266 PolarHBondContact O-N 2.88Å; I263-H266 VanDerWaalsContact O-N 3.1Å; H266-W268 PolarHBondContact ND1-N 2.76Å; H266-W268 PolarHBondContact O-N 3.17Å; H266-L269 PolarHBondContact O-N 3.43Å; H266-Q270 PolarHBondContact O-N 2.88Å
267P94.9Very high84.8Confident92 Ų9249.4 Ų49.460%0.59730%0.296SS*.THydrogen-bonded Turntrans-52.7-25.4-178.1-30.936.9000116.3
268W96Very high82.8Confident12 Ų1250.9 Ų50.95%0.04531%0.307CS..THydrogen-bonded Turntrans-72.4-31.4174.8-173.379.8000113.8E113 A116 K117 F120 L205 C242 L245 H266E113-W268 HydrophobicContact CB-CZ2 4.18Å; E113-W268 HydrophobicContact CG-CZ2 4.33Å; E113-W268 PolarHBondContact OE2-NE1 2.97Å; A116-W268 HydrophobicContact CB-CH2 4.4Å; K117-W268 VanDerWaalsContact CA-CH2 3.45Å; K117-W268 HydrophobicContact CB-CH2 3.65Å; K117-W268 HydrophobicContact CB-CZ2 3.86Å; K117-W268 HydrophobicContact CB-CZ3 4.01Å; K117-W268 WeakPolarHBondContact CD-O 3.44Å; K117-W268 WeakPolarHBondContact CE-O 3.4Å; K117-W268 HydrophobicContact CG-CD2 4.44Å; K117-W268 HydrophobicContact CG-CE3 4.21Å; K117-W268 HydrophobicContact CG-CH2 4.19Å; K117-W268 HydrophobicContact CG-CZ2 4.39Å; K117-W268 HydrophobicContact CG-CZ3 4.09Å; F120-W268 HydrophobicContact CB-CZ3 4.38Å; F120-W268 HydrophobicContact CD1-CZ3 4.03Å; L205-W268 HydrophobicContact CD1-CH2 3.48Å; L205-W268 VanDerWaalsContact CD1-CH2 3.48Å; L205-W268 HydrophobicContact CD1-CZ2 4.37Å; L205-W268 HydrophobicContact CD1-CZ3 3.59Å; L205-W268 HydrophobicContact CD2-CZ3 4.49Å; C242-W268 HydrophobicContact CB-CD2 4.35Å; C242-W268 HydrophobicContact CB-CG 4.32Å; C242-W268 HydrophobicContact CB-CZ2 4.38Å; L245-W268 HydrophobicContact CD2-CB 4.43Å; L245-W268 HydrophobicContact CD2-CD2 4.48Å; L245-W268 HydrophobicContact CD2-CE3 3.71Å; L245-W268 HydrophobicContact CD2-CZ3 4.4Å; H266-W268 PolarHBondContact ND1-N 2.76Å; H266-W268 PolarHBondContact O-N 3.17Å
269L92.3Very high80.5Confident12 Ų1257.5 Ų57.56%0.06333%0.334CS..THydrogen-bonded Turntrans-85.8-15.1176-77.6-173.1000113.4K117 F120 A121 L245 I263 H266 V272K117-L269 HydrophobicContact CG-CD2 3.86Å; F120-L269 HydrophobicContact CD1-CD1 4.23Å; F120-L269 HydrophobicContact CD1-CD2 4.12Å; F120-L269 HydrophobicContact CE1-CD1 4.41Å; A121-L269 HydrophobicContact CB-CD2 3.95Å; L245-L269 HydrophobicContact CD2-CG 4.45Å; I263-L269 HydrophobicContact CG2-CD1 4.47Å; H266-L269 PolarHBondContact O-N 3.43Å; L269-V272 PolarHBondContact O-N 3.2Å
270Q85.9Confident78.1Confident121 Ų12163.1 Ų63.157%0.56535%0.349SS*.THydrogen-bonded Turntrans-59.7146-179.8-69.217913.800112.5S265 H266 V272S265-Q270 PolarHBondContact O-NE2 3.34Å; H266-Q270 PolarHBondContact O-N 2.88Å; Q270-V272 PolarHBondContact O-N 2.93Å
271G78.4Confident75.3Confident91 Ų9167.3 Ų67.394%0.93837%0.372SS*.THydrogen-bonded Turntrans80.6-10.7-177.500000115.1
272V81.3Confident73Confident37 Ų3765.8 Ų65.822%0.22437%0.367CS..SBendtrans-91.7142.6169.4169.50000110.5K117 K118 A121 L269 Q270 P274K117-V272 HydrophobicContact CD-CB 4.45Å; K117-V272 HydrophobicContact CD-CG2 3.46Å; K117-V272 VanDerWaalsContact CD-CG2 3.46Å; K117-V272 HydrophobicContact CG-CB 4.38Å; K117-V272 HydrophobicContact CG-CG2 3.75Å; K118-V272 HydrophobicContact CG-CG1 4.25Å; A121-V272 HydrophobicContact CB-CG1 4.05Å; L269-V272 PolarHBondContact O-N 3.2Å; Q270-V272 PolarHBondContact O-N 2.93Å; V272-P274 WeakPolarHBondContact O-CD 3.48Å
273D71.8Confident70.6Confident43 Ų4361.8 Ų61.823%0.2335%0.35CS..  trans-76.1112.6170.9-167.1-8.9000108.8S275 P276 K279D273-S275 PolarHBondContact O-N 2.83Å; D273-S275 VanDerWaalsContact O-N 3.12Å; D273-P276 HydrophobicContact CB-CG 4.26Å; D273-P276 WeakPolarHBondContact OD2-CA 3.4Å; D273-K279 VanDerWaalsContact CG-NZ 3.31Å; D273-K279 IonicContact OD1-NZ 2.68Å; D273-K279 VanDerWaalsContact OD2-CD 3.24Å; D273-K279 WeakPolarHBondContact OD2-CD 3.38Å; D273-K279 WeakPolarHBondContact OD2-CE 3.29Å; D273-K279 IonicContact OD2-NZ 3.22Å; D273-K279 PolarHBondContact OD2-NZ 3.37Å
274P65.6Low68.3Low61 Ų6164.6 Ų64.640%0.39636%0.364SS..SBendtrans-63.8-23.9-170.625.2-34.4000112.7A121 Q122 H125 V272A121-P274 CarbonylContact C-O 3.57Å; A121-P274 HydrophobicContact CB-CB 4.49Å; Q122-P274 VanDerWaalsContact CA-O 3.29Å; Q122-P274 WeakPolarHBondContact CA-O 3.28Å; Q122-P274 WeakPolarHBondContact CG-O 3.46Å; Q122-P274 PolarHBondContact N-O 3.28Å; H125-P274 HydrophobicContact CB-CB 4.39Å; V272-P274 WeakPolarHBondContact O-CD 3.48Å
275S61.5Low66.4Low0 Ų061.7 Ų61.70%035%0.351CS..  trans-157.6112.4159.5175.90000109.6N74 H125 D273 A277 T278N74-S275 WeakPolarHBondContact OD1-CB 3.3Å; N74-S275 PolarHBondContact OD1-OG 3.05Å; H125-S275 VanDerWaalsContact CD2-CB 3.47Å; H125-S275 WeakPolarHBondContact CD2-CB 3.19Å; D273-S275 PolarHBondContact O-N 2.83Å; D273-S275 VanDerWaalsContact O-N 3.12Å; S275-A277 PolarHBondContact O-N 3.04Å; S275-T278 WeakPolarHBondContact CB-OG1 3.49Å; S275-T278 WeakPolarHBondContact O-CB 3.42Å; S275-T278 PolarHBondContact O-N 3.14Å
276P58.1Low64.4Low60 Ų6059.7 Ų59.739%0.3934%0.337SS..THydrogen-bonded Turntrans-55.2-24.8176.1-27.535.6000113.9D273 Y280D273-P276 HydrophobicContact CB-CG 4.26Å; D273-P276 WeakPolarHBondContact OD2-CA 3.4Å; P276-Y280 WeakPolarHBondContact O-CD2 3.43Å
277A54.4Low62.2Low22 Ų2266.3 Ų66.318%0.18236%0.363CS..THydrogen-bonded Turntrans-70.4-27.6173.500000113.3P73 L153 S275 K279 Y280P73-A277 HydrophobicContact CB-CB 3.63Å; P73-A277 HydrophobicContact CG-CB 4.22Å; L153-A277 HydrophobicContact CD1-CB 4.01Å; L153-A277 HydrophobicContact CD2-CB 4.27Å; S275-A277 PolarHBondContact O-N 3.04Å; A277-K279 VanDerWaalsContact C-N 3.28Å; A277-K279 PolarHBondContact O-N 3.13Å; A277-Y280 CarbonylContact O-C 3.59Å; A277-Y280 WeakPolarHBondContact O-CA 3.39Å; A277-Y280 PolarHBondContact O-N 3.1Å
278T55.6Low60Low50 Ų5069.2 Ų69.231%0.30737%0.366SS..G310 helixtrans-69.3-26.6179.7-580000112H125 S275 Y280 N281H125-T278 WeakPolarHBondContact NE2-CB 3.34Å; H125-T278 WeakPolarHBondContact NE2-CG2 3.5Å; H125-T278 PolarHBondContact NE2-OG1 2.94Å; S275-T278 WeakPolarHBondContact CB-OG1 3.49Å; S275-T278 WeakPolarHBondContact O-CB 3.42Å; S275-T278 PolarHBondContact O-N 3.14Å; T278-Y280 PolarHBondContact O-N 3.38Å; T278-N281 PolarHBondContact O-N 3.2Å
279K49Very low58.3Low147 Ų14771.4 Ų71.464%0.63938%0.379SS*.G310 helixtrans-64.7-17167.9-72.4-178.7-178.5155.70113.8D273 A277D273-K279 VanDerWaalsContact CG-NZ 3.31Å; D273-K279 IonicContact OD1-NZ 2.68Å; D273-K279 VanDerWaalsContact OD2-CD 3.24Å; D273-K279 WeakPolarHBondContact OD2-CD 3.38Å; D273-K279 WeakPolarHBondContact OD2-CE 3.29Å; D273-K279 IonicContact OD2-NZ 3.22Å; D273-K279 PolarHBondContact OD2-NZ 3.37Å; A277-K279 VanDerWaalsContact C-N 3.28Å; A277-K279 PolarHBondContact O-N 3.13Å
280Y43.7Very low57.3Low168 Ų16871.7 Ų71.766%0.65938%0.38SS*.G310 helixtrans-109.132.1174.7-59.5-81.5000112.3P276 A277 T278P276-Y280 WeakPolarHBondContact O-CD2 3.43Å; A277-Y280 CarbonylContact O-C 3.59Å; A277-Y280 WeakPolarHBondContact O-CA 3.39Å; A277-Y280 PolarHBondContact O-N 3.1Å; T278-Y280 PolarHBondContact O-N 3.38Å
281N33.3Very low57.2Low109 Ų10968 Ų6858%0.58337%0.367SS*.  trans50.389.8167.7-81.3-39.1000116.8T278 N289T278-N281 PolarHBondContact O-N 3.2Å; N281-N289 PolarHBondContact O-ND2 2.78Å
282I42.2Very low57.5Low108 Ų10871.2 Ų71.255%0.55436%0.358SS*.SBendtrans64.4-167.7156.8-1.2-177000113.4
283P45.1Very low57.8Low17 Ų1776.1 Ų76.111%0.1138%0.378CS..SBendtrans-70.1156.2-160.9-9.726.4000112.3Q71 V285 S286Q71-P283 HydrophobicContact CB-CG 3.88Å; P283-V285 CarbonylContact O-C 3.56Å; P283-V285 PolarHBondContact O-N 3.22Å; P283-S286 PolarHBondContact O-N 3.27Å
284L46.3Very low58.6Low59 Ų5975.6 Ų75.631%0.30938%0.375SS..THydrogen-bonded Turntrans-54.5-14.9-179.9-84.3163.8000114.9E334 L337L284-E334 HydrophobicContact CB-CG 4.27Å; L284-L337 WeakPolarHBondContact O-CD1 3.46Å
285V51.1Low59.7Low5 Ų575.2 Ų75.23%0.0337%0.367CS..THydrogen-bonded Turntrans-134.678.7159.1-152.10000113.4R77 P283 L290 Y329 F330 A333 E334R77-V285 PolarHBondContact NH2-O 2.95Å; P283-V285 CarbonylContact O-C 3.56Å; P283-V285 PolarHBondContact O-N 3.22Å; V285-L290 HydrophobicContact CG1-CD1 4.38Å; V285-Y329 HydrophobicContact CG1-CE1 3.97Å; V285-F330 HydrophobicContact CB-CD1 3.55Å; V285-F330 HydrophobicContact CB-CE1 4.08Å; V285-F330 HydrophobicContact CG1-CD1 3.6Å; V285-F330 HydrophobicContact CG1-CE1 4Å; V285-F330 HydrophobicContact CG2-CB 4.36Å; V285-F330 HydrophobicContact CG2-CD1 4.05Å; V285-A333 HydrophobicContact CB-CB 4.24Å; V285-A333 HydrophobicContact CG1-CB 3.49Å; V285-A333 VanDerWaalsContact CG1-CB 3.49Å; V285-A333 HydrophobicContact CG2-CB 3.65Å; V285-E334 HydrophobicContact CG2-CG 3.42Å; V285-E334 VanDerWaalsContact CG2-CG 3.42Å
286S48.9Very low61.1Low30 Ų3078.4 Ų78.421%0.2138%0.384CS..  trans-79.2137.1132.5-172.40000108.7P283 K288 N289P283-S286 PolarHBondContact O-N 3.27Å; S286-K288 PolarHBondContact O-N 3.39Å; S286-K288 VanDerWaalsContact O-N 3.09Å; S286-N289 PolarHBondContact O-N 3.06Å; S286-N289 VanDerWaalsContact O-N 3.12Å
287Y50.2Low62.8Low149 Ų14978.3 Ų78.358%0.58439%0.386SS*.G310 helixtrans-58.2-23.4173.955.6-99.5000112.5N289 L290Y287-N289 PolarHBondContact O-N 3.13Å; Y287-L290 PolarHBondContact O-N 3.06Å
288K49.7Very low64.5Low152 Ų15277.3 Ų77.366%0.66138%0.377SS*.G310 helixtrans-66.2-12178.1-56-179-179.1-179.30114.3S286S286-K288 PolarHBondContact O-N 3.39Å; S286-K288 VanDerWaalsContact O-N 3.09Å
289N59.3Low66.3Low59 Ų5975 Ų7532%0.31636%0.363SS..G310 helixtrans-100.9-3-179.2-64.35.4000112.9N281 S286 Y287N281-N289 PolarHBondContact O-ND2 2.78Å; S286-N289 PolarHBondContact O-N 3.06Å; S286-N289 VanDerWaalsContact O-N 3.12Å; Y287-N289 PolarHBondContact O-N 3.13Å
290L72.8Confident68.4Low17 Ų1773 Ų739%0.08936%0.355CS..SBendtrans-98.2154.2170.1-66.5160.8000109.2V285 Y287 E294 I298 Y329 A333 I336 L337V285-L290 HydrophobicContact CG1-CD1 4.38Å; Y287-L290 PolarHBondContact O-N 3.06Å; L290-E294 HydrophobicContact CB-CB 4.31Å; L290-E294 HydrophobicContact CD2-CB 4.24Å; L290-I298 HydrophobicContact CD1-CD1 3.74Å; L290-I298 HydrophobicContact CD2-CD1 4.32Å; L290-Y329 VanDerWaalsContact CD1-OH 3.25Å; L290-Y329 WeakPolarHBondContact CD1-OH 3.34Å; L290-A333 HydrophobicContact CD1-CB 3.84Å; L290-A333 HydrophobicContact CD2-CB 4.38Å; L290-I336 HydrophobicContact CD2-CG2 4.33Å; L290-L337 HydrophobicContact CD2-CD1 3.97Å; L290-L337 HydrophobicContact CD2-CD2 4.17Å; L290-L337 HydrophobicContact CD2-CG 3.92Å; L290-L337 HydrophobicContact CG-CD1 4.4Å
291S83.1Confident70.7Confident43 Ų4369.1 Ų69.130%0.30134%0.34SS..  trans-75.1160.316683.30000111.1E293 E294 H295S291-E293 WeakPolarHBondContact CB-OE2 3.43Å; S291-E293 PolarHBondContact O-N 3.14Å; S291-E293 PolarHBondContact OG-OE2 2.91Å; S291-E294 PolarHBondContact N-OE2 3.06Å; S291-E294 PolarHBondContact O-N 3.33Å; S291-E294 VanDerWaalsContact O-N 3.11Å; S291-E294 WeakPolarHBondContact OG-CG 3.34Å; S291-E294 PolarHBondContact OG-N 3.47Å; S291-H295 PolarHBondContact O-N 3.31Å
292E84.6Confident73.6Confident160 Ų16063.9 Ų63.975%0.74831%0.312SS*.Hα-helixtrans-62.5-32.8178.6-67.6-173.4-17700112N296E292-N296 WeakPolarHBondContact O-CB 3.44Å; E292-N296 PolarHBondContact O-N 3.47Å; E292-N296 PolarHBondContact O-ND2 3.44Å
293E87.8Confident76Confident139 Ų13961.2 Ų61.265%0.6530%0.3SS*.Hα-helixtrans-68.3-37.5174.3-46.489.4159.600111.6S291 S297S291-E293 WeakPolarHBondContact CB-OE2 3.43Å; S291-E293 PolarHBondContact O-N 3.14Å; S291-E293 PolarHBondContact OG-OE2 2.91Å; E293-S297 WeakPolarHBondContact O-CB 3.18Å; E293-S297 PolarHBondContact O-N 3.46Å
294E89.2Confident78.3Confident32 Ų3266.9 Ų66.915%0.1533%0.329CS..Hα-helixtrans-69.2-44.3176.4-71.7176.1143.100111.8L290 S291 S297 I298 I336 K340L290-E294 HydrophobicContact CB-CB 4.31Å; L290-E294 HydrophobicContact CD2-CB 4.24Å; S291-E294 PolarHBondContact N-OE2 3.06Å; S291-E294 PolarHBondContact O-N 3.33Å; S291-E294 VanDerWaalsContact O-N 3.11Å; S291-E294 WeakPolarHBondContact OG-CG 3.34Å; S291-E294 PolarHBondContact OG-N 3.47Å; E294-S297 PolarHBondContact O-N 3.07Å; E294-I298 VanDerWaalsContact O-CG1 3.28Å; E294-I298 WeakPolarHBondContact O-CG1 3.44Å; E294-I298 PolarHBondContact O-N 2.93Å; E294-I336 HydrophobicContact CG-CG2 4.3Å; E294-I336 VanDerWaalsContact OE1-CG2 3.24Å; E294-I336 WeakPolarHBondContact OE1-CG2 3.25Å; E294-K340 WeakPolarHBondContact OE1-CE 3.33Å; E294-K340 IonicContact OE1-NZ 3.11Å; E294-K340 PolarHBondContact OE1-NZ 3.15Å; E294-K340 IonicContact OE2-NZ 2.69Å; E294-K340 PolarHBondContact OE2-NZ 2.77Å
295H88.8Confident80.3Confident53 Ų5365.3 Ų65.325%0.24533%0.327CS..Hα-helixtrans-57.4-51.8174.1174.171000111.3S291 S297 I298 I299 Y329S291-H295 PolarHBondContact O-N 3.31Å; H295-S297 VanDerWaalsContact C-N 3.31Å; H295-S297 PolarHBondContact O-N 3.34Å; H295-I298 PolarHBondContact O-N 3.35Å; H295-I299 WeakPolarHBondContact NE2-CD1 3.48Å; H295-I299 PolarHBondContact O-N 2.8Å; H295-I299 VanDerWaalsContact O-N 3.09Å; H295-Y329 AromaticContact ND1-CE2 3.58Å; H295-Y329 AromaticContact ND1-CZ 3.6Å; H295-Y329 PolarHBondContact ND1-OH 2.98Å
296N90.6Very high82.2Confident67 Ų6772.7 Ų72.736%0.35837%0.366SS..Hα-helixtrans-64.4-34176.3-77.9-76.2000112.3E292 I299 Q300 R310E292-N296 WeakPolarHBondContact O-CB 3.44Å; E292-N296 PolarHBondContact O-N 3.47Å; E292-N296 PolarHBondContact O-ND2 3.44Å; N296-I299 PolarHBondContact O-N 3.14Å; N296-Q300 VanDerWaalsContact O-CB 3.24Å; N296-Q300 WeakPolarHBondContact O-CB 3.23Å; N296-Q300 PolarHBondContact O-N 2.87Å; N296-R310 PolarHBondContact OD1-NH2 3.24Å
297S92.6Very high84.2Confident59 Ų5972.6 Ų72.641%0.41336%0.363SS..Hα-helixtrans-68.8-29.8174.8179.30000113.4E293 E294 H295 R301E293-S297 WeakPolarHBondContact O-CB 3.18Å; E293-S297 PolarHBondContact O-N 3.46Å; E294-S297 PolarHBondContact O-N 3.07Å; H295-S297 VanDerWaalsContact C-N 3.31Å; H295-S297 PolarHBondContact O-N 3.34Å; S297-R301 WeakPolarHBondContact O-CB 3.39Å; S297-R301 VanDerWaalsContact O-CG 3.29Å; S297-R301 WeakPolarHBondContact O-CG 3.35Å; S297-R301 PolarHBondContact O-N 3.39Å; S297-R301 PolarHBondContact O-NE 2.77Å
298I91.9Very high86.1Confident0 Ų066.6 Ų66.60%034%0.344CS..Hα-helixtrans-67.9-52.9169.4-65157.5000109.7L290 E294 H295 Q300 R301 M302 Y329 L332 A333 I336L290-I298 HydrophobicContact CD1-CD1 3.74Å; L290-I298 HydrophobicContact CD2-CD1 4.32Å; E294-I298 VanDerWaalsContact O-CG1 3.28Å; E294-I298 WeakPolarHBondContact O-CG1 3.44Å; E294-I298 PolarHBondContact O-N 2.93Å; H295-I298 PolarHBondContact O-N 3.35Å; I298-Q300 PolarHBondContact O-N 2.94Å; I298-R301 VanDerWaalsContact CG1-NH2 3.34Å; I298-R301 PolarHBondContact O-N 2.73Å; I298-R301 VanDerWaalsContact O-N 3.16Å; I298-M302 HydrophobicContact CG2-SD 3.87Å; I298-M302 WeakPolarHBondContact O-CG 3.46Å; I298-M302 PolarHBondContact O-N 3.21Å; I298-Y329 HydrophobicContact CB-CD2 4.18Å; I298-Y329 HydrophobicContact CB-CE2 4.04Å; I298-Y329 HydrophobicContact CD1-CE2 4.18Å; I298-Y329 HydrophobicContact CG2-CD2 3.34Å; I298-Y329 HydrophobicContact CG2-CE2 3.7Å; I298-Y329 HydrophobicContact CG2-CG 4.09Å; I298-L332 HydrophobicContact CG1-CB 4.21Å; I298-L332 HydrophobicContact CG2-CB 3.8Å; I298-L332 HydrophobicContact CG2-CD1 3.86Å; I298-L332 HydrophobicContact CG2-CG 4.49Å; I298-A333 HydrophobicContact CD1-CB 3.92Å; I298-I336 HydrophobicContact CD1-CD1 4.05Å; I298-I336 HydrophobicContact CG1-CD1 3.77Å
299I91.9Very high88.2Confident3 Ų365.5 Ų65.52%0.01535%0.346CS..Hα-helixtrans-59.1-46.9-179.5-65.3178.8000111.1H295 N296 R301 M302 V303 R310 I313 V314 Y329H295-I299 WeakPolarHBondContact NE2-CD1 3.48Å; H295-I299 PolarHBondContact O-N 2.8Å; H295-I299 VanDerWaalsContact O-N 3.09Å; N296-I299 PolarHBondContact O-N 3.14Å; I299-R301 VanDerWaalsContact C-N 3.27Å; I299-R301 PolarHBondContact O-N 3.24Å; I299-M302 WeakPolarHBondContact O-CB 3.18Å; I299-M302 PolarHBondContact O-N 2.93Å; I299-V303 HydrophobicContact CG2-CG2 4.41Å; I299-V303 WeakPolarHBondContact O-CG2 3.29Å; I299-V303 PolarHBondContact O-N 3.5Å; I299-R310 HydrophobicContact CG2-CG 3.87Å; I299-I313 HydrophobicContact CD1-CG2 4.47Å; I299-I313 HydrophobicContact CG1-CG2 4.02Å; I299-I313 HydrophobicContact CG2-CD1 4.32Å; I299-I313 HydrophobicContact CG2-CG2 4.44Å; I299-V314 HydrophobicContact CD1-CG2 4.39Å; I299-Y329 HydrophobicContact CG1-CE2 4.45Å
300Q93Very high89.8Confident103 Ų10369 Ų6948%0.48135%0.354SS..Hα-helixtrans-60-36.7178.9-17362.339.300112.2N296 I298 L304N296-Q300 VanDerWaalsContact O-CB 3.24Å; N296-Q300 WeakPolarHBondContact O-CB 3.23Å; N296-Q300 PolarHBondContact O-N 2.87Å; I298-Q300 PolarHBondContact O-N 2.94Å; Q300-L304 HydrophobicContact CG-CD1 4.06Å; Q300-L304 VanDerWaalsContact O-CB 3.31Å; Q300-L304 WeakPolarHBondContact O-CB 3.33Å; Q300-L304 VanDerWaalsContact O-CG 3.23Å; Q300-L304 WeakPolarHBondContact O-CG 3.43Å; Q300-L304 PolarHBondContact O-N 3.44Å
301R92.6Very high90.7Very high87 Ų8774.3 Ų74.333%0.32838%0.383SS..Hα-helixtrans-71-34.2174.5-76.2179.5-63.6152.66.1112.7F37 S297 I298 I299 G305 I336F37-R301 WeakPolarHBondContact CZ-O 3.42Å; S297-R301 WeakPolarHBondContact O-CB 3.39Å; S297-R301 VanDerWaalsContact O-CG 3.29Å; S297-R301 WeakPolarHBondContact O-CG 3.35Å; S297-R301 PolarHBondContact O-N 3.39Å; S297-R301 PolarHBondContact O-NE 2.77Å; I298-R301 VanDerWaalsContact CG1-NH2 3.34Å; I298-R301 PolarHBondContact O-N 2.73Å; I298-R301 VanDerWaalsContact O-N 3.16Å; I299-R301 VanDerWaalsContact C-N 3.27Å; I299-R301 PolarHBondContact O-N 3.24Å; R301-G305 PolarHBondContact O-N 2.87Å; R301-I336 VanDerWaalsContact NH2-CD1 3.34Å
302M93.3Very high91.1Very high0 Ų073.9 Ų73.90%038%0.382CS..Hα-helixtrans-68.4-42.2175.9-70.217064.100111.9I298 I299 G305 D306 I307 I313 I325 T328 Y329 L332I298-M302 HydrophobicContact CG2-SD 3.87Å; I298-M302 WeakPolarHBondContact O-CG 3.46Å; I298-M302 PolarHBondContact O-N 3.21Å; I299-M302 WeakPolarHBondContact O-CB 3.18Å; I299-M302 PolarHBondContact O-N 2.93Å; M302-G305 CarbonylContact O-C 3.56Å; M302-G305 WeakPolarHBondContact O-CA 3.47Å; M302-G305 PolarHBondContact O-N 3.3Å; M302-G305 VanDerWaalsContact O-N 3.17Å; M302-D306 PolarHBondContact O-N 3.28Å; M302-I307 HydrophobicContact CB-CB 4.31Å; M302-I307 HydrophobicContact CE-CG2 4.17Å; M302-I307 WeakPolarHBondContact O-CB 3.33Å; M302-I307 PolarHBondContact O-N 2.8Å; M302-I307 VanDerWaalsContact O-N 3.15Å; M302-I313 HydrophobicContact CB-CD1 3.66Å; M302-I313 HydrophobicContact CE-CD1 4.19Å; M302-I313 HydrophobicContact CE-CG1 4.01Å; M302-I313 HydrophobicContact CE-CG2 3.9Å; M302-I313 HydrophobicContact SD-CG2 4.35Å; M302-I325 HydrophobicContact CE-CG2 3.77Å; M302-I325 WeakPolarHBondContact CE-O 3.26Å; M302-T328 HydrophobicContact CE-CG2 4.21Å; M302-T328 HydrophobicContact CG-CG2 3.88Å; M302-T328 HydrophobicContact SD-CG2 4.23Å; M302-Y329 HydrophobicContact SD-CD2 4.18Å; M302-Y329 HydrophobicContact SD-CG 4.49Å; M302-L332 HydrophobicContact CG-CD1 3.9Å; M302-L332 HydrophobicContact SD-CD1 4.46Å
303V93.9Very high91.3Very high51 Ų5166.3 Ų66.331%0.30935%0.347SS..Hα-helixtrans-65.5-47.9174.7177.40000111.1I299 G305 D306 R310 I313I299-V303 HydrophobicContact CG2-CG2 4.41Å; I299-V303 WeakPolarHBondContact O-CG2 3.29Å; I299-V303 PolarHBondContact O-N 3.5Å; V303-G305 PolarHBondContact O-N 3.28Å; V303-G305 VanDerWaalsContact O-N 3.13Å; V303-D306 PolarHBondContact O-N 2.96Å; V303-R310 HydrophobicContact CG2-CB 4.07Å; V303-I313 HydrophobicContact CG2-CD1 3.69Å
304L92.1Very high91.4Very high137 Ų13762 Ų6272%0.71733%0.33SS*.THydrogen-bonded Turntrans-65.1-13.4173.6-70.5172.7000113.6Q300Q300-L304 HydrophobicContact CG-CD1 4.06Å; Q300-L304 VanDerWaalsContact O-CB 3.31Å; Q300-L304 WeakPolarHBondContact O-CB 3.33Å; Q300-L304 VanDerWaalsContact O-CG 3.23Å; Q300-L304 WeakPolarHBondContact O-CG 3.43Å; Q300-L304 PolarHBondContact O-N 3.44Å
305G89.4Confident91.4Very high25 Ų2564.6 Ų64.626%0.25834%0.342SS..THydrogen-bonded Turntrans-95.31178.700000114.9F37 R301 M302 V303 I307F37-G305 VanDerWaalsContact CE2-CA 3.48Å; R301-G305 PolarHBondContact O-N 2.87Å; M302-G305 CarbonylContact O-C 3.56Å; M302-G305 WeakPolarHBondContact O-CA 3.47Å; M302-G305 PolarHBondContact O-N 3.3Å; M302-G305 VanDerWaalsContact O-N 3.17Å; V303-G305 PolarHBondContact O-N 3.28Å; V303-G305 VanDerWaalsContact O-N 3.13Å; G305-I307 PolarHBondContact O-N 2.87Å
306D90.4Very high91.3Very high161 Ų16162.1 Ų62.186%0.86133%0.331SS*.THydrogen-bonded Turntrans57.734.8-176.6-152.630.7000113M302 V303M302-D306 PolarHBondContact O-N 3.28Å; V303-D306 PolarHBondContact O-N 2.96Å
307I90.7Very high91.1Very high28 Ų2860.7 Ų60.714%0.14432%0.323CS..SBendtrans-83.5-45179.1-61.8-65.6000111.4L15 F37 M302 G305 T328L15-I307 HydrophobicContact CD1-CD1 4.35Å; F37-I307 HydrophobicContact CB-CD1 4.11Å; F37-I307 HydrophobicContact CD1-CD1 4.02Å; F37-I307 HydrophobicContact CD1-CG1 4.07Å; F37-I307 HydrophobicContact CD2-CD1 3.88Å; F37-I307 HydrophobicContact CD2-CG1 4.25Å; F37-I307 HydrophobicContact CE1-CD1 4.42Å; F37-I307 HydrophobicContact CE1-CG1 3.99Å; F37-I307 HydrophobicContact CE2-CD1 4.31Å; F37-I307 HydrophobicContact CE2-CG1 4.2Å; F37-I307 HydrophobicContact CG-CD1 3.72Å; F37-I307 HydrophobicContact CG-CG1 4.19Å; F37-I307 HydrophobicContact CZ-CG1 4.07Å; M302-I307 HydrophobicContact CB-CB 4.31Å; M302-I307 HydrophobicContact CE-CG2 4.17Å; M302-I307 WeakPolarHBondContact O-CB 3.33Å; M302-I307 PolarHBondContact O-N 2.8Å; M302-I307 VanDerWaalsContact O-N 3.15Å; G305-I307 PolarHBondContact O-N 2.87Å; I307-T328 HydrophobicContact CG1-CG2 4.4Å; I307-T328 HydrophobicContact CG2-CG2 4.4Å
308A91.4Very high90.7Very high23 Ų2365.5 Ų65.519%0.1934%0.339CS..  trans-172.1160.417600000109.9A312 I313 I325A308-A312 HydrophobicContact CB-CB 4.4Å; A308-I313 HydrophobicContact CB-CD1 4.4Å; A308-I313 HydrophobicContact CB-CG1 3.8Å; A308-I313 WeakPolarHBondContact O-CD1 3.33Å; A308-I325 HydrophobicContact CB-CD1 3.75Å; A308-I325 HydrophobicContact CB-CG1 4.08Å; A308-I325 HydrophobicContact CB-CG2 4.32Å
309D93.4Very high90.2Very high129 Ų12968.8 Ų68.869%0.6936%0.359SS*.  trans-63.6153.8169.6-72.6-56.6000112.2D311 A312 I313D309-D311 VanDerWaalsContact C-N 3.26Å; D309-D311 PolarHBondContact O-N 3.25Å; D309-A312 PolarHBondContact O-N 3.05Å; D309-I313 WeakPolarHBondContact O-CG1 3.3Å; D309-I313 PolarHBondContact O-N 3.28Å
310R91.9Very high89.4Confident132 Ų13272 Ų7250%0.49838%0.376SS..Hα-helixtrans-53.3-44.1-176.6-170.3177.3-170.2-130.33112.5N296 I299 V303 I313 V314N296-R310 PolarHBondContact OD1-NH2 3.24Å; I299-R310 HydrophobicContact CG2-CG 3.87Å; V303-R310 HydrophobicContact CG2-CB 4.07Å; R310-I313 WeakPolarHBondContact O-CB 3.33Å; R310-I313 PolarHBondContact O-N 2.94Å; R310-V314 WeakPolarHBondContact O-CG2 3.43Å; R310-V314 PolarHBondContact O-N 2.79Å
311D92.8Very high88.7Confident128 Ų12872.4 Ų72.468%0.68437%0.373SS*.Hα-helixtrans-72.6-37.5-174.2-54.6-25.3000110.9D309 I313 V314 E315D309-D311 VanDerWaalsContact C-N 3.26Å; D309-D311 PolarHBondContact O-N 3.25Å; D311-I313 VanDerWaalsContact C-N 3.33Å; D311-I313 PolarHBondContact O-N 3.16Å; D311-V314 PolarHBondContact O-N 3.06Å; D311-E315 WeakPolarHBondContact O-CB 3.1Å; D311-E315 PolarHBondContact O-N 3.12Å
312A91.7Very high88Confident35 Ų3569.7 Ų69.729%0.28936%0.363SS..Hα-helixtrans-66.8-31.2172.400000112.8A308 D309 A316A308-A312 HydrophobicContact CB-CB 4.4Å; D309-A312 PolarHBondContact O-N 3.05Å; A312-A316 WeakPolarHBondContact O-CB 3.48Å; A312-A316 PolarHBondContact O-N 2.9Å
313I89.2Confident87.7Confident0 Ų071.4 Ų71.40%037%0.372CS..Hα-helixtrans-66.6-45.7171.7-63.6162.9000110.7I299 M302 V303 A308 D309 R310 D311 L317 I325I299-I313 HydrophobicContact CD1-CG2 4.47Å; I299-I313 HydrophobicContact CG1-CG2 4.02Å; I299-I313 HydrophobicContact CG2-CD1 4.32Å; I299-I313 HydrophobicContact CG2-CG2 4.44Å; M302-I313 HydrophobicContact CB-CD1 3.66Å; M302-I313 HydrophobicContact CE-CD1 4.19Å; M302-I313 HydrophobicContact CE-CG1 4.01Å; M302-I313 HydrophobicContact CE-CG2 3.9Å; M302-I313 HydrophobicContact SD-CG2 4.35Å; V303-I313 HydrophobicContact CG2-CD1 3.69Å; A308-I313 HydrophobicContact CB-CD1 4.4Å; A308-I313 HydrophobicContact CB-CG1 3.8Å; A308-I313 WeakPolarHBondContact O-CD1 3.33Å; D309-I313 WeakPolarHBondContact O-CG1 3.3Å; D309-I313 PolarHBondContact O-N 3.28Å; R310-I313 WeakPolarHBondContact O-CB 3.33Å; R310-I313 PolarHBondContact O-N 2.94Å; D311-I313 VanDerWaalsContact C-N 3.33Å; D311-I313 PolarHBondContact O-N 3.16Å; I313-L317 HydrophobicContact CG2-CD1 3.94Å; I313-L317 WeakPolarHBondContact O-CD1 3.36Å; I313-L317 VanDerWaalsContact O-CG 3.25Å; I313-L317 WeakPolarHBondContact O-CG 3.43Å; I313-L317 PolarHBondContact O-N 3.49Å; I313-L317 VanDerWaalsContact O-N 3.15Å; I313-I325 HydrophobicContact CB-CG2 4.23Å; I313-I325 HydrophobicContact CG1-CG2 3.84Å; I313-I325 HydrophobicContact CG2-CG2 4.35Å
314V89.4Confident87.3Confident48 Ų4872.7 Ų72.729%0.29138%0.375SS..Hα-helixtrans-64.1-49.7177.8174.30000110.5I299 R310 D311 A316 L317 E318I299-V314 HydrophobicContact CD1-CG2 4.39Å; R310-V314 WeakPolarHBondContact O-CG2 3.43Å; R310-V314 PolarHBondContact O-N 2.79Å; D311-V314 PolarHBondContact O-N 3.06Å; V314-A316 VanDerWaalsContact C-N 3.34Å; V314-A316 PolarHBondContact O-N 3.3Å; V314-L317 PolarHBondContact O-N 2.92Å; V314-L317 VanDerWaalsContact O-N 3.13Å; V314-E318 HydrophobicContact CG1-CG 4.19Å; V314-E318 WeakPolarHBondContact O-CG 3.47Å; V314-E318 PolarHBondContact O-N 3.35Å
315E89.6Confident87.2Confident88 Ų8867 Ų6741%0.41135%0.345SS..Hα-helixtrans-55.7-46.2177-169.5-149.8145.900111.7D311 L317 E318 T319 R321D311-E315 WeakPolarHBondContact O-CB 3.1Å; D311-E315 PolarHBondContact O-N 3.12Å; E315-L317 VanDerWaalsContact C-N 3.3Å; E315-L317 PolarHBondContact O-N 3.42Å; E315-E318 PolarHBondContact O-N 2.87Å; E315-T319 HydrophobicContact CG-CG2 4.32Å; E315-T319 WeakPolarHBondContact O-CB 3.32Å; E315-T319 WeakPolarHBondContact O-CG2 3.47Å; E315-T319 PolarHBondContact O-N 2.85Å; E315-T319 PolarHBondContact O-OG1 3.27Å; E315-R321 IonicContact OE1-CZ 2.71Å; E315-R321 IonicContact OE1-NH1 2.78Å; E315-R321 PolarHBondContact OE1-NH1 2.98Å; E315-R321 IonicContact OE1-NH2 3.87Å; E315-R321 PolarHBondContact OE1-NH2 3.48Å
316A86.6Confident87.1Confident1 Ų165.9 Ų65.91%0.00833%0.333CS..Hα-helixtrans-63.7-34.6-179.900000112.9A312 V314 T319 N320 R321 I325 T326A312-A316 WeakPolarHBondContact O-CB 3.48Å; A312-A316 PolarHBondContact O-N 2.9Å; V314-A316 VanDerWaalsContact C-N 3.34Å; V314-A316 PolarHBondContact O-N 3.3Å; A316-T319 PolarHBondContact O-OG1 2.83Å; A316-N320 PolarHBondContact O-N 2.68Å; A316-R321 PolarHBondContact O-N 2.77Å; A316-R321 VanDerWaalsContact O-N 3.12Å; A316-I325 HydrophobicContact CB-CB 4.22Å; A316-I325 HydrophobicContact CB-CD1 4.38Å; A316-I325 HydrophobicContact CB-CG2 4.06Å; A316-T326 HydrophobicContact CB-CG2 3.9Å; A316-T326 WeakPolarHBondContact O-CG2 3.42Å
317L85.4Confident86.9Confident37 Ų3758.2 Ų58.219%0.19429%0.292CS..Hα-helixtrans-75.5-42.4176.6-69.6169.2000112.2I313 V314 E315 N320 T326 Y329I313-L317 HydrophobicContact CG2-CD1 3.94Å; I313-L317 WeakPolarHBondContact O-CD1 3.36Å; I313-L317 VanDerWaalsContact O-CG 3.25Å; I313-L317 WeakPolarHBondContact O-CG 3.43Å; I313-L317 PolarHBondContact O-N 3.49Å; I313-L317 VanDerWaalsContact O-N 3.15Å; V314-L317 PolarHBondContact O-N 2.92Å; V314-L317 VanDerWaalsContact O-N 3.13Å; E315-L317 VanDerWaalsContact C-N 3.3Å; E315-L317 PolarHBondContact O-N 3.42Å; L317-N320 PolarHBondContact O-N 2.87Å; L317-T326 HydrophobicContact CD2-CG2 4.09Å; L317-Y329 HydrophobicContact CD1-CD1 4.32Å; L317-Y329 HydrophobicContact CD1-CD2 3.67Å; L317-Y329 HydrophobicContact CD1-CE2 3.91Å; L317-Y329 HydrophobicContact CD1-CG 3.92Å; L317-Y329 HydrophobicContact CD2-CD1 3.5Å; L317-Y329 VanDerWaalsContact CD2-CD1 3.5Å; L317-Y329 HydrophobicContact CD2-CD2 4.27Å; L317-Y329 HydrophobicContact CD2-CE1 4.08Å; L317-Y329 HydrophobicContact CD2-CG 3.64Å; L317-Y329 HydrophobicContact CG-CG 4.39Å
318E83.8Confident86.8Confident160 Ų16056.9 Ų56.975%0.74829%0.285SS*.Hα-helixtrans-66.9-42177.4-71.7-177166.800111.9V314 E315 N320V314-E318 HydrophobicContact CG1-CG 4.19Å; V314-E318 WeakPolarHBondContact O-CG 3.47Å; V314-E318 PolarHBondContact O-N 3.35Å; E315-E318 PolarHBondContact O-N 2.87Å; E318-N320 PolarHBondContact O-N 2.95Å
319T81.8Confident86.7Confident68 Ų6855.9 Ų55.942%0.41728%0.277SS..THydrogen-bonded Turntrans-75.2-3173.858.40000113.5E315 A316 R321E315-T319 HydrophobicContact CG-CG2 4.32Å; E315-T319 WeakPolarHBondContact O-CB 3.32Å; E315-T319 WeakPolarHBondContact O-CG2 3.47Å; E315-T319 PolarHBondContact O-N 2.85Å; E315-T319 PolarHBondContact O-OG1 3.27Å; A316-T319 PolarHBondContact O-OG1 2.83Å; T319-R321 PolarHBondContact O-N 3.3Å; T319-R321 VanDerWaalsContact O-N 3.16Å; T319-R321 WeakPolarHBondContact OG1-CD 3.47Å; T319-R321 WeakPolarHBondContact OG1-CG 3.22Å; T319-R321 PolarHBondContact OG1-NE 3.14Å
320N75.6Confident86.4Confident70 Ų7050.6 Ų50.637%0.37425%0.247SC..THydrogen-bonded Turntrans46.443.8-179.7-172.265.2000112.8A316 L317 E318A316-N320 PolarHBondContact O-N 2.68Å; L317-N320 PolarHBondContact O-N 2.87Å; E318-N320 PolarHBondContact O-N 2.95Å
321R77.1Confident86.2Confident112 Ų11244.5 Ų44.542%0.42323%0.225SC..  trans-68.2156.5176.8-74.1172.6-173.6152.911.1110.3E315 A316 T319 T326E315-R321 IonicContact OE1-CZ 2.71Å; E315-R321 IonicContact OE1-NH1 2.78Å; E315-R321 PolarHBondContact OE1-NH1 2.98Å; E315-R321 IonicContact OE1-NH2 3.87Å; E315-R321 PolarHBondContact OE1-NH2 3.48Å; A316-R321 PolarHBondContact O-N 2.77Å; A316-R321 VanDerWaalsContact O-N 3.12Å; T319-R321 PolarHBondContact O-N 3.3Å; T319-R321 VanDerWaalsContact O-N 3.16Å; T319-R321 WeakPolarHBondContact OG1-CD 3.47Å; T319-R321 WeakPolarHBondContact OG1-CG 3.22Å; T319-R321 PolarHBondContact OG1-NE 3.14Å; R321-T326 WeakPolarHBondContact O-CB 3.07Å; R321-T326 VanDerWaalsContact O-CG2 3.25Å; R321-T326 WeakPolarHBondContact O-CG2 3.03Å; R321-T326 PolarHBondContact O-OG1 3Å
322Y79.8Confident86Confident31 Ų3138.8 Ų38.812%0.12219%0.194CC..  trans-110.280.6177.2-78.2-102.3000109K68 Q71 L78K68-Y322 HydrophobicContact CB-CD2 4.36Å; K68-Y322 HydrophobicContact CB-CE1 4.48Å; K68-Y322 HydrophobicContact CB-CE2 3.86Å; K68-Y322 HydrophobicContact CD-CD2 3.75Å; K68-Y322 HydrophobicContact CD-CE2 4.12Å; K68-Y322 HydrophobicContact CD-CG 4.02Å; K68-Y322 HydrophobicContact CG-CD1 4Å; K68-Y322 HydrophobicContact CG-CD2 3.74Å; K68-Y322 HydrophobicContact CG-CE1 3.94Å; K68-Y322 HydrophobicContact CG-CE2 3.7Å; K68-Y322 HydrophobicContact CG-CG 3.91Å; K68-Y322 PolarHBondContact O-OH 3.38Å; Q71-Y322 PolarHBondContact NE2-OH 2.99Å; Q71-Y322 VanDerWaalsContact NE2-OH 3.16Å; L78-Y322 HydrophobicContact CB-CE1 4.29Å; L78-Y322 HydrophobicContact CD2-CD1 3.97Å; L78-Y322 HydrophobicContact CD2-CE1 4.03Å; L78-Y322 HydrophobicContact CG-CD1 3.99Å; L78-Y322 HydrophobicContact CG-CE1 4.07Å; L78-Y322 WeakPolarHBondContact O-CE1 3.49Å
323N85.3Confident85.7Confident35 Ų3537.1 Ų37.119%0.18718%0.18CC..SBendtrans-141.8173-173.966.512.9000110.9I325 T326 A327N323-I325 PolarHBondContact O-N 3.06Å; N323-I325 VanDerWaalsContact O-N 3.07Å; N323-I325 WeakPolarHBondContact OD1-CB 3.3Å; N323-I325 PolarHBondContact OD1-N 2.73Å; N323-T326 PolarHBondContact N-OG1 2.88Å; N323-T326 PolarHBondContact O-N 2.89Å; N323-T326 PolarHBondContact O-OG1 2.94Å; N323-T326 PolarHBondContact OD1-N 3.31Å; N323-T326 PolarHBondContact OD1-OG1 3.43Å; N323-A327 VanDerWaalsContact O-CB 3.27Å; N323-A327 WeakPolarHBondContact O-CB 3.34Å; N323-A327 PolarHBondContact O-N 3.31Å
324H85.8Confident85.3Confident78 Ų7837.5 Ų37.536%0.36118%0.182SC..Hα-helixtrans-54.7-28.1-179.661.8-91.1000114.3L15 E80 T328L15-H324 HydrophobicContact CD1-CB 3.92Å; L15-H324 HydrophobicContact CG-CB 4.38Å; E80-H324 WeakPolarHBondContact OE1-CA 3.35Å; E80-H324 WeakPolarHBondContact OE1-CB 3.39Å; E80-H324 PolarHBondContact OE1-N 2.94Å; E80-H324 WeakPolarHBondContact OE2-CA 3.26Å; H324-T328 WeakPolarHBondContact O-CB 3.03Å; H324-T328 PolarHBondContact O-N 2.9Å; H324-T328 PolarHBondContact O-OG1 3.18Å
325I89.8Confident85Confident18 Ų1839.8 Ų39.89%0.09219%0.186CC..Hα-helixtrans-69.5-56.9178-52.1177.1000110M302 A308 I313 A316 N323 A327 T328 Y329M302-I325 HydrophobicContact CE-CG2 3.77Å; M302-I325 WeakPolarHBondContact CE-O 3.26Å; A308-I325 HydrophobicContact CB-CD1 3.75Å; A308-I325 HydrophobicContact CB-CG1 4.08Å; A308-I325 HydrophobicContact CB-CG2 4.32Å; I313-I325 HydrophobicContact CB-CG2 4.23Å; I313-I325 HydrophobicContact CG1-CG2 3.84Å; I313-I325 HydrophobicContact CG2-CG2 4.35Å; A316-I325 HydrophobicContact CB-CB 4.22Å; A316-I325 HydrophobicContact CB-CD1 4.38Å; A316-I325 HydrophobicContact CB-CG2 4.06Å; N323-I325 PolarHBondContact O-N 3.06Å; N323-I325 VanDerWaalsContact O-N 3.07Å; N323-I325 WeakPolarHBondContact OD1-CB 3.3Å; N323-I325 PolarHBondContact OD1-N 2.73Å; I325-A327 VanDerWaalsContact C-N 3.34Å; I325-A327 PolarHBondContact O-N 3.49Å; I325-T328 PolarHBondContact O-N 2.98Å; I325-Y329 PolarHBondContact O-N 3.44Å
326T88.4Confident84.7Confident1 Ų136.9 Ų36.91%0.00617%0.173CC..Hα-helixtrans-67.7-36.2-179.559.10000111.8A316 L317 R321 N323 Y329 F330A316-T326 HydrophobicContact CB-CG2 3.9Å; A316-T326 WeakPolarHBondContact O-CG2 3.42Å; L317-T326 HydrophobicContact CD2-CG2 4.09Å; R321-T326 WeakPolarHBondContact O-CB 3.07Å; R321-T326 VanDerWaalsContact O-CG2 3.25Å; R321-T326 WeakPolarHBondContact O-CG2 3.03Å; R321-T326 PolarHBondContact O-OG1 3Å; N323-T326 PolarHBondContact N-OG1 2.88Å; N323-T326 PolarHBondContact O-N 2.89Å; N323-T326 PolarHBondContact O-OG1 2.94Å; N323-T326 PolarHBondContact OD1-N 3.31Å; N323-T326 PolarHBondContact OD1-OG1 3.43Å; T326-Y329 PolarHBondContact O-N 3.4Å; T326-F330 WeakPolarHBondContact O-CB 3.46Å; T326-F330 WeakPolarHBondContact O-CD2 3.36Å; T326-F330 VanDerWaalsContact O-CG 3.27Å; T326-F330 WeakPolarHBondContact O-CG 3.38Å; T326-F330 PolarHBondContact O-N 3.44Å
327A86.1Confident84.3Confident0 Ų038.1 Ų38.10%018%0.179CC..Hα-helixtrans-62.4-44.9173.300000112.3E80 N323 I325 Y329 F330 L331E80-A327 HydrophobicContact CB-CB 3.86Å; N323-A327 VanDerWaalsContact O-CB 3.27Å; N323-A327 WeakPolarHBondContact O-CB 3.34Å; N323-A327 PolarHBondContact O-N 3.31Å; I325-A327 VanDerWaalsContact C-N 3.34Å; I325-A327 PolarHBondContact O-N 3.49Å; A327-Y329 VanDerWaalsContact C-N 3.35Å; A327-Y329 PolarHBondContact O-N 2.81Å; A327-F330 PolarHBondContact O-N 3.41Å; A327-L331 WeakPolarHBondContact O-CB 3.13Å; A327-L331 VanDerWaalsContact O-CG 3.24Å; A327-L331 WeakPolarHBondContact O-CG 3.16Å; A327-L331 PolarHBondContact O-N 2.76Å
328T87.4Confident83.9Confident0 Ų040 Ų400%018%0.183CC..Hα-helixtrans-59.2-46174.1-65.30000111.4H35 F37 T38 M302 I307 H324 I325 L332H35-T328 PolarHBondContact CE1-OG1 3.1Å; F37-T328 HydrophobicContact CD1-CG2 3.6Å; F37-T328 HydrophobicContact CE1-CG2 4.01Å; T38-T328 HydrophobicContact CG2-CG2 4.19Å; M302-T328 HydrophobicContact CE-CG2 4.21Å; M302-T328 HydrophobicContact CG-CG2 3.88Å; M302-T328 HydrophobicContact SD-CG2 4.23Å; I307-T328 HydrophobicContact CG1-CG2 4.4Å; I307-T328 HydrophobicContact CG2-CG2 4.4Å; H324-T328 WeakPolarHBondContact O-CB 3.03Å; H324-T328 PolarHBondContact O-N 2.9Å; H324-T328 PolarHBondContact O-OG1 3.18Å; I325-T328 PolarHBondContact O-N 2.98Å; T328-L332 HydrophobicContact CG2-CD1 4.15Å; T328-L332 WeakPolarHBondContact O-CB 3.5Å; T328-L332 WeakPolarHBondContact O-CG 3.24Å; T328-L332 PolarHBondContact O-N 3.07Å
329Y90.2Very high83.8Confident3 Ų335.6 Ų35.61%0.01216%0.163CC..Hα-helixtrans-58.6-50.5176.2176.3-87000111.6V285 L290 H295 I298 I299 M302 L317 I325 T326 A327 L331 L332 A333V285-Y329 HydrophobicContact CG1-CE1 3.97Å; L290-Y329 VanDerWaalsContact CD1-OH 3.25Å; L290-Y329 WeakPolarHBondContact CD1-OH 3.34Å; H295-Y329 AromaticContact ND1-CE2 3.58Å; H295-Y329 AromaticContact ND1-CZ 3.6Å; H295-Y329 PolarHBondContact ND1-OH 2.98Å; I298-Y329 HydrophobicContact CB-CD2 4.18Å; I298-Y329 HydrophobicContact CB-CE2 4.04Å; I298-Y329 HydrophobicContact CD1-CE2 4.18Å; I298-Y329 HydrophobicContact CG2-CD2 3.34Å; I298-Y329 HydrophobicContact CG2-CE2 3.7Å; I298-Y329 HydrophobicContact CG2-CG 4.09Å; I299-Y329 HydrophobicContact CG1-CE2 4.45Å; M302-Y329 HydrophobicContact SD-CD2 4.18Å; M302-Y329 HydrophobicContact SD-CG 4.49Å; L317-Y329 HydrophobicContact CD1-CD1 4.32Å; L317-Y329 HydrophobicContact CD1-CD2 3.67Å; L317-Y329 HydrophobicContact CD1-CE2 3.91Å; L317-Y329 HydrophobicContact CD1-CG 3.92Å; L317-Y329 HydrophobicContact CD2-CD1 3.5Å; L317-Y329 VanDerWaalsContact CD2-CD1 3.5Å; L317-Y329 HydrophobicContact CD2-CD2 4.27Å; L317-Y329 HydrophobicContact CD2-CE1 4.08Å; L317-Y329 HydrophobicContact CD2-CG 3.64Å; L317-Y329 HydrophobicContact CG-CG 4.39Å; I325-Y329 PolarHBondContact O-N 3.44Å; T326-Y329 PolarHBondContact O-N 3.4Å; A327-Y329 VanDerWaalsContact C-N 3.35Å; A327-Y329 PolarHBondContact O-N 2.81Å; Y329-L331 PolarHBondContact O-N 3.23Å; Y329-L332 PolarHBondContact O-N 3.28Å; Y329-A333 HydrophobicContact CE1-CB 4.48Å; Y329-A333 WeakPolarHBondContact O-CB 3.37Å; Y329-A333 PolarHBondContact O-N 3.38Å
330F87.8Confident83.6Confident18 Ų1836.7 Ų36.78%0.07916%0.162CC..Hα-helixtrans-64.2-41.2-178.1-68.5-43.9000112.2R77 Y79 V285 T326 A327 L332 A333 E334R77-F330 VanDerWaalsContact NH2-CE1 3.27Å; R77-F330 VanDerWaalsContact NH2-CZ 3.31Å; Y79-F330 HydrophobicContact CD1-CB 4.03Å; Y79-F330 HydrophobicContact CE1-CB 4.43Å; V285-F330 HydrophobicContact CB-CD1 3.55Å; V285-F330 HydrophobicContact CB-CE1 4.08Å; V285-F330 HydrophobicContact CG1-CD1 3.6Å; V285-F330 HydrophobicContact CG1-CE1 4Å; V285-F330 HydrophobicContact CG2-CB 4.36Å; V285-F330 HydrophobicContact CG2-CD1 4.05Å; T326-F330 WeakPolarHBondContact O-CB 3.46Å; T326-F330 WeakPolarHBondContact O-CD2 3.36Å; T326-F330 VanDerWaalsContact O-CG 3.27Å; T326-F330 WeakPolarHBondContact O-CG 3.38Å; T326-F330 PolarHBondContact O-N 3.44Å; A327-F330 PolarHBondContact O-N 3.41Å; F330-L332 PolarHBondContact O-N 2.9Å; F330-A333 PolarHBondContact O-N 3.1Å; F330-E334 WeakPolarHBondContact O-CG 3.38Å; F330-E334 PolarHBondContact O-N 3.49Å
331L87Confident83.5Confident4 Ų437.8 Ų37.82%0.02116%0.164CC..Hα-helixtrans-64.5-37.1175.4-68.8169.8000112.4Y16 H35 T38 E40 V42 Y79 A327 Y329 R335Y16-L331 HydrophobicContact CE1-CD1 4.37Å; H35-L331 HydrophobicContact CB-CD1 3.81Å; T38-L331 HydrophobicContact CG2-CB 4.16Å; E40-L331 HydrophobicContact CB-CD2 4.3Å; V42-L331 HydrophobicContact CG1-CD1 4.34Å; V42-L331 HydrophobicContact CG1-CD2 3.75Å; Y79-L331 HydrophobicContact CD1-CD2 4.28Å; Y79-L331 HydrophobicContact CD1-CG 4.44Å; Y79-L331 HydrophobicContact CD2-CD2 4.24Å; Y79-L331 HydrophobicContact CE1-CD2 3.93Å; Y79-L331 HydrophobicContact CE1-CG 4.47Å; Y79-L331 HydrophobicContact CE2-CD2 3.86Å; Y79-L331 HydrophobicContact CG-CD2 4.43Å; A327-L331 WeakPolarHBondContact O-CB 3.13Å; A327-L331 VanDerWaalsContact O-CG 3.24Å; A327-L331 WeakPolarHBondContact O-CG 3.16Å; A327-L331 PolarHBondContact O-N 2.76Å; Y329-L331 PolarHBondContact O-N 3.23Å; L331-R335 WeakPolarHBondContact O-CB 3.07Å; L331-R335 PolarHBondContact O-N 3.31Å
332L88.3Confident83.3Confident8 Ų837.6 Ų37.64%0.04217%0.168CC..Hα-helixtrans-69.5-35.1174.3-74.2176.9000113F37 T38 I298 M302 T328 Y329 F330 I336F37-L332 HydrophobicContact CE1-CD1 4.23Å; T38-L332 HydrophobicContact CG2-CD1 4.44Å; T38-L332 HydrophobicContact CG2-CD2 3.58Å; T38-L332 HydrophobicContact CG2-CG 3.58Å; I298-L332 HydrophobicContact CG1-CB 4.21Å; I298-L332 HydrophobicContact CG2-CB 3.8Å; I298-L332 HydrophobicContact CG2-CD1 3.86Å; I298-L332 HydrophobicContact CG2-CG 4.49Å; M302-L332 HydrophobicContact CG-CD1 3.9Å; M302-L332 HydrophobicContact SD-CD1 4.46Å; T328-L332 HydrophobicContact CG2-CD1 4.15Å; T328-L332 WeakPolarHBondContact O-CB 3.5Å; T328-L332 WeakPolarHBondContact O-CG 3.24Å; T328-L332 PolarHBondContact O-N 3.07Å; Y329-L332 PolarHBondContact O-N 3.28Å; F330-L332 PolarHBondContact O-N 2.9Å; L332-I336 PolarHBondContact O-N 3.5Å
333A85.8Confident83.3Confident0 Ų042 Ų420%019%0.188CC..Hα-helixtrans-69.2-50176.900000112.3V285 L290 I298 Y329 F330 R335 I336 L337V285-A333 HydrophobicContact CB-CB 4.24Å; V285-A333 HydrophobicContact CG1-CB 3.49Å; V285-A333 VanDerWaalsContact CG1-CB 3.49Å; V285-A333 HydrophobicContact CG2-CB 3.65Å; L290-A333 HydrophobicContact CD1-CB 3.84Å; L290-A333 HydrophobicContact CD2-CB 4.38Å; I298-A333 HydrophobicContact CD1-CB 3.92Å; Y329-A333 HydrophobicContact CE1-CB 4.48Å; Y329-A333 WeakPolarHBondContact O-CB 3.37Å; Y329-A333 PolarHBondContact O-N 3.38Å; F330-A333 PolarHBondContact O-N 3.1Å; A333-R335 PolarHBondContact O-N 3.3Å; A333-I336 PolarHBondContact O-N 3.2Å; A333-I336 VanDerWaalsContact O-N 3.13Å; A333-L337 WeakPolarHBondContact O-CG 3.42Å; A333-L337 PolarHBondContact O-N 2.91Å
334E79.6Confident82.7Confident8 Ų844.7 Ų44.74%0.03720%0.2CC..Hα-helixtrans-60.6-35.4177.8-70.6-175.1-174.400111.9R77 Y79 L284 V285 F330 L337 R338R77-E334 WeakPolarHBondContact CD-OE1 3.33Å; Y79-E334 WeakPolarHBondContact CE1-OE1 3.41Å; Y79-E334 PolarHBondContact OH-OE2 2.89Å; L284-E334 HydrophobicContact CB-CG 4.27Å; V285-E334 HydrophobicContact CG2-CG 3.42Å; V285-E334 VanDerWaalsContact CG2-CG 3.42Å; F330-E334 WeakPolarHBondContact O-CG 3.38Å; F330-E334 PolarHBondContact O-N 3.49Å; E334-L337 PolarHBondContact O-N 2.76Å; E334-R338 WeakPolarHBondContact O-CB 3.23Å; E334-R338 PolarHBondContact O-N 3.07Å
335R83.9Confident82Confident96 Ų9645.2 Ų45.236%0.36221%0.208SC..Hα-helixtrans-61.3-49.7173.1-176.3-169.5169.6139.7-0.5112T38 E40 L331 A333 L337 R338 E339T38-R335 PolarHBondContact O-NH1 2.7Å; E40-R335 VanDerWaalsContact OE1-CD 3.26Å; E40-R335 WeakPolarHBondContact OE1-CD 3.15Å; E40-R335 WeakPolarHBondContact OE1-CG 3.24Å; E40-R335 IonicContact OE1-NE 2.68Å; E40-R335 IonicContact OE1-NH1 3.99Å; L331-R335 WeakPolarHBondContact O-CB 3.07Å; L331-R335 PolarHBondContact O-N 3.31Å; A333-R335 PolarHBondContact O-N 3.3Å; R335-L337 VanDerWaalsContact C-N 3.32Å; R335-L337 PolarHBondContact O-N 3.18Å; R335-R338 PolarHBondContact O-N 3.39Å; R335-E339 IonicContact CZ-OE1 2.76Å; R335-E339 IonicContact NE-OE1 3.2Å; R335-E339 PolarHBondContact NE-OE1 2.93Å; R335-E339 IonicContact NH2-OE1 3.56Å; R335-E339 PolarHBondContact NH2-OE1 3.26Å; R335-E339 WeakPolarHBondContact O-CB 3.29Å; R335-E339 WeakPolarHBondContact O-CG 3.45Å; R335-E339 PolarHBondContact O-N 2.98Å
336I84Confident81Confident27 Ų2750 Ų5014%0.13823%0.23CC..Hα-helixtrans-58.5-45.7178-76.5166.9000110.9L290 E294 I298 R301 L332 A333 E339 K340L290-I336 HydrophobicContact CD2-CG2 4.33Å; E294-I336 HydrophobicContact CG-CG2 4.3Å; E294-I336 VanDerWaalsContact OE1-CG2 3.24Å; E294-I336 WeakPolarHBondContact OE1-CG2 3.25Å; I298-I336 HydrophobicContact CD1-CD1 4.05Å; I298-I336 HydrophobicContact CG1-CD1 3.77Å; R301-I336 VanDerWaalsContact NH2-CD1 3.34Å; L332-I336 PolarHBondContact O-N 3.5Å; A333-I336 PolarHBondContact O-N 3.2Å; A333-I336 VanDerWaalsContact O-N 3.13Å; I336-E339 PolarHBondContact O-N 3.46Å; I336-K340 HydrophobicContact CG2-CD 4.45Å; I336-K340 WeakPolarHBondContact O-CB 3.47Å; I336-K340 PolarHBondContact O-N 3.25Å
337L78.5Confident80Confident26 Ų2654.2 Ų54.214%0.13626%0.256CS..Hα-helixtrans-70-35-177.2-68.5167000112.1L284 L290 A333 E334 R335 K340 Q341L284-L337 WeakPolarHBondContact O-CD1 3.46Å; L290-L337 HydrophobicContact CD2-CD1 3.97Å; L290-L337 HydrophobicContact CD2-CD2 4.17Å; L290-L337 HydrophobicContact CD2-CG 3.92Å; L290-L337 HydrophobicContact CG-CD1 4.4Å; A333-L337 WeakPolarHBondContact O-CG 3.42Å; A333-L337 PolarHBondContact O-N 2.91Å; E334-L337 PolarHBondContact O-N 2.76Å; R335-L337 VanDerWaalsContact C-N 3.32Å; R335-L337 PolarHBondContact O-N 3.18Å; L337-K340 HydrophobicContact CD2-CD 4.28Å; L337-K340 WeakPolarHBondContact O-CB 3.45Å; L337-K340 PolarHBondContact O-N 3.47Å; L337-Q341 WeakPolarHBondContact O-CB 3.23Å; L337-Q341 PolarHBondContact O-N 2.84Å
338R76Confident78.8Confident78 Ų7861.9 Ų61.929%0.29429%0.285SS..Hα-helixtrans-65.7-47.7171-166.7-178.4-49.3-1401.9111.5E334 R335 K340 Q341 E342E334-R338 WeakPolarHBondContact O-CB 3.23Å; E334-R338 PolarHBondContact O-N 3.07Å; R335-R338 PolarHBondContact O-N 3.39Å; R338-K340 PolarHBondContact O-N 2.92Å; R338-Q341 PolarHBondContact O-N 3.28Å; R338-E342 WeakPolarHBondContact O-CB 3.34Å; R338-E342 WeakPolarHBondContact O-CG 3.42Å; R338-E342 PolarHBondContact O-N 3.34Å
339E81.4Confident77.4Confident67 Ų6765.8 Ų65.831%0.31331%0.312SS..Hα-helixtrans-60.9-31.9174.2-74.5-174.2-15300112.3R335 I336 K343R335-E339 IonicContact CZ-OE1 2.76Å; R335-E339 IonicContact NE-OE1 3.2Å; R335-E339 PolarHBondContact NE-OE1 2.93Å; R335-E339 IonicContact NH2-OE1 3.56Å; R335-E339 PolarHBondContact NH2-OE1 3.26Å; R335-E339 WeakPolarHBondContact O-CB 3.29Å; R335-E339 WeakPolarHBondContact O-CG 3.45Å; R335-E339 PolarHBondContact O-N 2.98Å; I336-E339 PolarHBondContact O-N 3.46Å; E339-K343 WeakPolarHBondContact O-CD 3.4Å; E339-K343 VanDerWaalsContact O-CE 3.26Å; E339-K343 WeakPolarHBondContact O-CE 3.4Å; E339-K343 WeakPolarHBondContact O-CG 3.32Å; E339-K343 PolarHBondContact O-N 3.4Å; E339-K343 IonicContact OE2-NZ 2.69Å; E339-K343 PolarHBondContact OE2-NZ 3.48Å
340K78.9Confident75.6Confident91 Ų9168.7 Ų68.740%0.39634%0.337SS..Hα-helixtrans-67.9-50.6171-92.4175153.1174.30111.9E294 I336 L337 R338 E342 K343 E344E294-K340 WeakPolarHBondContact OE1-CE 3.33Å; E294-K340 IonicContact OE1-NZ 3.11Å; E294-K340 PolarHBondContact OE1-NZ 3.15Å; E294-K340 IonicContact OE2-NZ 2.69Å; E294-K340 PolarHBondContact OE2-NZ 2.77Å; I336-K340 HydrophobicContact CG2-CD 4.45Å; I336-K340 WeakPolarHBondContact O-CB 3.47Å; I336-K340 PolarHBondContact O-N 3.25Å; L337-K340 HydrophobicContact CD2-CD 4.28Å; L337-K340 WeakPolarHBondContact O-CB 3.45Å; L337-K340 PolarHBondContact O-N 3.47Å; R338-K340 PolarHBondContact O-N 2.92Å; K340-E342 VanDerWaalsContact C-N 3.34Å; K340-E342 PolarHBondContact O-N 3.28Å; K340-K343 WeakPolarHBondContact O-CB 3.48Å; K340-K343 PolarHBondContact O-N 3.07Å; K340-K343 VanDerWaalsContact O-N 3.15Å; K340-E344 PolarHBondContact O-N 3.32Å
341Q73.3Confident73.3Confident92 Ų9271.9 Ų71.943%0.4336%0.361SS..Hα-helixtrans-62.5-41.2-178.7-168.3177.427.700111.6L337 R338 K343 E344 V345L337-Q341 WeakPolarHBondContact O-CB 3.23Å; L337-Q341 PolarHBondContact O-N 2.84Å; R338-Q341 PolarHBondContact O-N 3.28Å; Q341-K343 PolarHBondContact O-N 2.96Å; Q341-E344 PolarHBondContact O-N 3.03Å; Q341-V345 WeakPolarHBondContact O-CG2 3.41Å; Q341-V345 PolarHBondContact O-N 3.41Å
342E71.9Confident71.3Confident108 Ų10877 Ų7751%0.50539%0.394SS..Hα-helixtrans-61.4-41.2173.7-72.6175.1-175.200111.7R338 K340 Q346R338-E342 WeakPolarHBondContact O-CB 3.34Å; R338-E342 WeakPolarHBondContact O-CG 3.42Å; R338-E342 PolarHBondContact O-N 3.34Å; K340-E342 VanDerWaalsContact C-N 3.34Å; K340-E342 PolarHBondContact O-N 3.28Å; E342-Q346 WeakPolarHBondContact O-CB 3.48Å; E342-Q346 PolarHBondContact O-N 2.81Å
343K79.3Confident69.3Low123 Ų12380.6 Ų80.654%0.53542%0.42SS..Hα-helixtrans-65.9-35.7174.2-70.9159.8-161.1156.80112.6E339 K340 Q341 T347E339-K343 WeakPolarHBondContact O-CD 3.4Å; E339-K343 VanDerWaalsContact O-CE 3.26Å; E339-K343 WeakPolarHBondContact O-CE 3.4Å; E339-K343 WeakPolarHBondContact O-CG 3.32Å; E339-K343 PolarHBondContact O-N 3.4Å; E339-K343 IonicContact OE2-NZ 2.69Å; E339-K343 PolarHBondContact OE2-NZ 3.48Å; K340-K343 WeakPolarHBondContact O-CB 3.48Å; K340-K343 PolarHBondContact O-N 3.07Å; K340-K343 VanDerWaalsContact O-N 3.15Å; Q341-K343 PolarHBondContact O-N 2.96Å; K343-T347 WeakPolarHBondContact O-CB 3.38Å; K343-T347 WeakPolarHBondContact O-CG2 3.27Å; K343-T347 PolarHBondContact O-N 3.35Å; K343-T347 PolarHBondContact O-OG1 2.89Å
344E73.7Confident67.1Low93 Ų9386.2 Ų86.244%0.43545%0.45SS..Hα-helixtrans-70.6-44.3176.3-161.4-172.8172.300111.8K340 Q341 Q346 T347 R348K340-E344 PolarHBondContact O-N 3.32Å; Q341-E344 PolarHBondContact O-N 3.03Å; E344-Q346 VanDerWaalsContact C-N 3.3Å; E344-Q346 PolarHBondContact O-N 3.43Å; E344-T347 WeakPolarHBondContact CA-OG1 3.23Å; E344-T347 PolarHBondContact O-N 3.27Å; E344-T347 PolarHBondContact O-OG1 3.34Å; E344-T347 VanDerWaalsContact O-OG1 3.07Å; E344-R348 WeakPolarHBondContact O-CB 3.38Å; E344-R348 VanDerWaalsContact O-CG 3.23Å; E344-R348 WeakPolarHBondContact O-CG 3.48Å; E344-R348 PolarHBondContact O-N 2.92Å; E344-R348 IonicContact OE1-CZ 3.56Å; E344-R348 VanDerWaalsContact OE1-CZ 3.24Å; E344-R348 IonicContact OE1-NE 2.7Å; E344-R348 PolarHBondContact OE1-NE 3.18Å; E344-R348 VanDerWaalsContact OE1-NE 3.09Å; E344-R348 IonicContact OE1-NH2 3.98Å; E344-R348 PolarHBondContact OE1-NH2 3.32Å
345V69.9Low65.6Low89 Ų8992.8 Ų92.854%0.53948%0.484SS..Hα-helixtrans-61.5-41.2173.6172.80000110.7Q341 R348 S349Q341-V345 WeakPolarHBondContact O-CG2 3.41Å; Q341-V345 PolarHBondContact O-N 3.41Å; V345-R348 PolarHBondContact O-N 2.96Å; V345-S349 WeakPolarHBondContact O-CB 3.48Å; V345-S349 PolarHBondContact O-N 3.1Å; V345-S349 PolarHBondContact O-OG 3.39Å
346Q69.3Low63.5Low118 Ų11896.7 Ų96.755%0.55150%0.504SS*.Hα-helixtrans-70.5-33.8179.9-171.457.650.200113.3E342 E344 S349 A350E342-Q346 WeakPolarHBondContact O-CB 3.48Å; E342-Q346 PolarHBondContact O-N 2.81Å; E344-Q346 VanDerWaalsContact C-N 3.3Å; E344-Q346 PolarHBondContact O-N 3.43Å; Q346-S349 WeakPolarHBondContact CA-OG 3.33Å; Q346-S349 PolarHBondContact O-OG 3.34Å; Q346-A350 WeakPolarHBondContact O-CB 3.48Å; Q346-A350 PolarHBondContact O-N 2.94Å
347T68.6Low61.5Low89 Ų8997.9 Ų97.955%0.54652%0.518SS..Hα-helixtrans-74.9-36.117544.80000111.7K343 E344 S351K343-T347 WeakPolarHBondContact O-CB 3.38Å; K343-T347 WeakPolarHBondContact O-CG2 3.27Å; K343-T347 PolarHBondContact O-N 3.35Å; K343-T347 PolarHBondContact O-OG1 2.89Å; E344-T347 WeakPolarHBondContact CA-OG1 3.23Å; E344-T347 PolarHBondContact O-N 3.27Å; E344-T347 PolarHBondContact O-OG1 3.34Å; E344-T347 VanDerWaalsContact O-OG1 3.07Å; T347-S351 PolarHBondContact O-N 3.15Å; T347-S351 PolarHBondContact O-OG 2.79Å
348R59.9Low59.7Low162 Ų162104.2 Ų104.261%0.61155%0.547SS*.Hα-helixtrans-63.5-40.6170.1-70.1171.7179.4-139.57.2112.1E344 V345E344-R348 WeakPolarHBondContact O-CB 3.38Å; E344-R348 VanDerWaalsContact O-CG 3.23Å; E344-R348 WeakPolarHBondContact O-CG 3.48Å; E344-R348 PolarHBondContact O-N 2.92Å; E344-R348 IonicContact OE1-CZ 3.56Å; E344-R348 VanDerWaalsContact OE1-CZ 3.24Å; E344-R348 IonicContact OE1-NE 2.7Å; E344-R348 PolarHBondContact OE1-NE 3.18Å; E344-R348 VanDerWaalsContact OE1-NE 3.09Å; E344-R348 IonicContact OE1-NH2 3.98Å; E344-R348 PolarHBondContact OE1-NH2 3.32Å; V345-R348 PolarHBondContact O-N 2.96Å
349S57.9Low57.6Low81 Ų81109.9 Ų109.957%0.56657%0.574SS**Hα-helixtrans-79.4-31.1179.169.80000114V345 Q346 S351V345-S349 WeakPolarHBondContact O-CB 3.48Å; V345-S349 PolarHBondContact O-N 3.1Å; V345-S349 PolarHBondContact O-OG 3.39Å; Q346-S349 WeakPolarHBondContact CA-OG 3.33Å; Q346-S349 PolarHBondContact O-OG 3.34Å; S349-S351 PolarHBondContact O-N 3.47Å
350A52Low55.5Low64 Ų64117.5 Ų117.553%0.52960%0.6SS.*THydrogen-bonded Turntrans-82.314.1175.700000114.2Q346 P352Q346-A350 WeakPolarHBondContact O-CB 3.48Å; Q346-A350 PolarHBondContact O-N 2.94Å; A350-P352 WeakPolarHBondContact O-CD 3.47Å
351S40Very low53.6Low85 Ų85121.8 Ų121.859%0.59462%0.621SS**  trans-100.888178.4-720000111.9T347 S349 S353T347-S351 PolarHBondContact O-N 3.15Å; T347-S351 PolarHBondContact O-OG 2.79Å; S349-S351 PolarHBondContact O-N 3.47Å; S351-S353 PolarHBondContact O-N 2.92Å
352P44.8Very low51.9Low111 Ų111122 Ų12272%0.72163%0.633SS**  trans-69.399.6176.928.8-35.5000111.8A350 N354A350-P352 WeakPolarHBondContact O-CD 3.47Å; P352-N354 PolarHBondContact O-N 2.88Å; P352-N354 VanDerWaalsContact O-N 3.11Å
353S45.7Very low49.7Very low84 Ų84128.6 Ų128.659%0.58765%0.653SS**  trans40.456.8150.2590000118S351 I355 K356S351-S353 PolarHBondContact O-N 2.92Å; S353-I355 PolarHBondContact O-N 2.76Å; S353-K356 PolarHBondContact O-N 2.7Å
354N41.5Very low47.6Very low118 Ų118128.6 Ų128.663%0.63167%0.666SS**THydrogen-bonded Turntrans-59.1-9.8174-151.12.1000114.3P352 K356 A357P352-N354 PolarHBondContact O-N 2.88Å; P352-N354 VanDerWaalsContact O-N 3.11Å; N354-K356 PolarHBondContact O-N 2.98Å; N354-K356 VanDerWaalsContact O-N 3.1Å; N354-A357 PolarHBondContact O-N 2.99Å; N354-A357 VanDerWaalsContact OD1-CB 3.23Å; N354-A357 WeakPolarHBondContact OD1-CB 3.34Å
355I47.1Very low45.4Very low146 Ų146130.3 Ų130.375%0.74968%0.683SS**Hα-helixtrans-51.4-27.2170-60.9172.7000112.4S353S353-I355 PolarHBondContact O-N 2.76Å
356K39.6Very low43.5Very low178 Ų178135.1 Ų135.177%0.77470%0.697SS**Hα-helixtrans-84.3-12.5174.8-86.8-173.6175.2178.80115.8S353 N354S353-K356 PolarHBondContact O-N 2.7Å; N354-K356 PolarHBondContact O-N 2.98Å; N354-K356 VanDerWaalsContact O-N 3.1Å
357A42.9Very low41.7Very low53 Ų53136 Ų13644%0.43870%0.704SS.*Hα-helixtrans-86.8-39.2177.800000112.5N354 F359 R360N354-A357 PolarHBondContact O-N 2.99Å; N354-A357 VanDerWaalsContact OD1-CB 3.23Å; N354-A357 WeakPolarHBondContact OD1-CB 3.34Å; A357-F359 VanDerWaalsContact C-N 3.25Å; A357-F359 PolarHBondContact O-N 3.12Å; A357-R360 PolarHBondContact O-N 3.37Å
358Q39.2Very low39.8Very low159 Ų159138.2 Ų138.274%0.74371%0.712SS**Hα-helixtrans-68-21.9-178.8-73.3-176.7-34.400113.5R360Q358-R360 PolarHBondContact O-N 3.08Å
359F33.1Very low38.5Very low196 Ų196136.4 Ų136.486%0.8672%0.719SS**THydrogen-bonded Turntrans-84.716.8174.8-139.1-92.4000114.2A357A357-F359 VanDerWaalsContact C-N 3.25Å; A357-F359 PolarHBondContact O-N 3.12Å
360R37.5Very low37.5Very low227 Ų227138 Ų13886%0.85773%0.727SS**THydrogen-bonded Turntrans-131.49.9176.5-82.2-165.6169.9-151.2-2.7115.3A357 Q358A357-R360 PolarHBondContact O-N 3.37Å; Q358-R360 PolarHBondContact O-N 3.08Å
361Q38.6Very low36.6Very low182 Ų182142.8 Ų142.885%0.8574%0.739SS**SBendtrans-128.151.2178.7-66.3-1441.300113.7
362S36.8Very low36.3Very low95 Ų95144.4 Ų144.466%0.66474%0.741SS**  trans-158.846.5173.654.10000114.5
363W26Very low35.9Very low247 Ų247145.5 Ų145.594%0.93674%0.74SS**  trans-123.3116.9159.9-86.369.6000109
364P34.9Very low35.5Very low123 Ų123149.6 Ų149.680%0.79975%0.749SS**  trans-83.7153.1-175.333.3-34.6000112.3
365T28.3Very low35.1Very low130 Ų130150.9 Ų150.980%0.79876%0.756SS**  trans-131.7117.6174.83.80000110.1
366K30.9Very low34.4Very low190 Ų190150.5 Ų150.583%0.82676%0.756SS**  trans70.5151.9176.4-54.5-167.8176.6-165.90113.2
367I30.8Very low34.3Very low136 Ų136148.3 Ų148.370%0.69775%0.752SS**  cis-159.6155.9-0.6-123.6174.9000107.1
368D29.4Very low33.8Very low135 Ų135151.8 Ų151.872%0.72277%0.768SS**  cis-148.3-170.34-131.7-36.1000111.6
369V32.6Very low33.4Very low124 Ų124148.4 Ų148.475%0.75277%0.767SS**  trans-119.2146.7165.8-178.60000110.3
370P36.1Very low33.1Very low114 Ų114145.3 Ų145.374%0.7476%0.764SS**  trans-69.8154.8174.1-17.331.9000114.2
371Q33.5Very low33.9Very low166 Ų166139.3 Ų139.378%0.77676%0.755SS**  trans-10.4144.9153.7-78.6-175.5-100.300118.1
372D32.8Very low33.6Very low119 Ų119138.1 Ų138.164%0.63675%0.754SS**  cis-162.3165.932.2-114-22.1000114.8
373L36.8Very low33.5Very low133 Ų133137.4 Ų137.470%0.69675%0.748SS**  trans67.4114.8151.3-65.3164.5000124.3
374E37.2Very low33.8Very low170 Ų170134.3 Ų134.379%0.79474%0.744SS**  trans75.2146.6130-68.2-179.116000126
375D33.2Very low33.5Very low145 Ų145131.7 Ų131.778%0.77573%0.733SS**  trans63.2100.6157.3-70.78.5000126.1
376D31.8Very low33.6Very low138 Ų138131.7 Ų131.774%0.73873%0.733SS**  77135.9110.8-128.921.5000125.4
377L37.1Very low33.5Very low132 Ų132129 Ų12969%0.69173%0.732SS**  trans57.3120.4154.7-68.7168.2000125.4
378T33.4Very low34.4Very low127 Ų127127.4 Ų127.478%0.77973%0.731SS**  trans92.7126.3130.255.90000125.5
379A31.6Very low34.4Very low88 Ų88129.9 Ų129.973%0.72774%0.738SS**  trans76.897.2131.300000124
380T26.9Very low34.5Very low130 Ų130129.2 Ų129.280%0.79874%0.739SS**  -18.4173.1121.337.10000120.1
381P52.7Low35Very low101 Ų101130.3 Ų130.366%0.65675%0.746SS**  cis-148.8-160.6-1533.4-7.6000116.6
382L33.2Very low34.8Very low158 Ų158126.8 Ų126.883%0.82775%0.745SS**  trans76.9157.4152.3-64.9167.6000120
383S33.5Very low34.8Very low79 Ų79132.8 Ų132.855%0.55276%0.759SS**  cis-175.2164.9-26.261.40000114.3
384H32.9Very low34.5Very low182 Ų182131.1 Ų131.184%0.84376%0.764SS**  trans61.6159.4156.6-75-67000119.7
385A29.5Very low34.2Very low69 Ų69127 Ų12757%0.5776%0.759SS**  cis-166.5176.2-19.900000111.5
386T29.4Very low34.1Very low130 Ų130127.4 Ų127.480%0.79876%0.761SS**  trans60.8124.4160.846.70000119.2
387V29.6Very low34.3Very low132 Ų132128.2 Ų128.280%0.877%0.765SS**  cis69.813242.6-1790000112.1
388P49.1Very low34.2Very low104 Ų104128.9 Ų128.968%0.67578%0.775SS**  cis-138.9-175.717.537.4-15.9000118.9
389Q29.3Very low34.2Very low186 Ų186129.9 Ų129.987%0.86977%0.774SS**  trans82.6139.1142-91.51724.300123.7
390S34.6Very low34.2Very low111 Ų111133.3 Ų133.378%0.77678%0.781SS**  trans-108.3166.6171.2-360000110.6
391P46.7Very low34.3Very low136 Ų136130.6 Ų130.688%0.88378%0.778SS**  -147.1-173.796.838.9-22.2000114.1
392A30.3Very low33.2Very low92 Ų92134.3 Ų134.376%0.7679%0.786SS**  trans-126156.2-175.100000113.3
393R32.5Very low33.1Very low246 Ų246137.3 Ų137.393%0.92879%0.787SS**  trans178.6136.7133.3-104.1169.5176.6166.6-0.1116.9
394A29.3Very low33Very low97 Ų97138.2 Ų138.280%0.80279%0.793SS**  trans75.4145.1130.800000124.7
395A31.1Very low32.8Very low83 Ų83139.7 Ų139.769%0.68680%0.797SS**  trans94.999.2139.400000122.6
396D31.6Very low32.7Very low155 Ų155139.9 Ų139.983%0.82981%0.806SS**  82.2160.8120.4-63.5-45000124.7
397N35.3Very low32.5Very low154 Ų154141.6 Ų141.682%0.82481%0.809SS**  trans-93.5163.6-161.4-68.8-63.5000115.2
398V35.1Very low32.4Very low147 Ų147140.5 Ų140.589%0.89181%0.806SS**  trans-130.6157.7166.1-177.10000110.4
399L33.7Very low31.3Very low147 Ų147142.7 Ų142.777%0.7781%0.812SS**  trans-111.3157-160-73.1157000116
400N32Very low31.1Very low161 Ų161138.8 Ų138.886%0.86181%0.805SS**  trans63.4141146.3-77.1-19.2000123
401G28.4Very low30.8Very low72 Ų72137.4 Ų137.474%0.74280%0.801SS**  trans168.599.4151.300000120.7
402H30.7Very low29.9Very low179 Ų179140.3 Ų140.383%0.82980%0.799SS**  trans6186.2139.2-87.8-104.9000125
403R30.6Very low29.8Very low222 Ų222143.3 Ų143.384%0.83880%0.795SS**  33.7120.6104.1-159.9-160.4-153.4-165.38.7120.9
404S30.7Very low29.5Very low97 Ų97137 Ų13768%0.67878%0.78SS**  155.3138.7117.6-68.60000116.7
405K30.2Very low29.3Very low213 Ų213141.2 Ų141.293%0.92678%0.783SS**  trans35.3142.6149.2-58.7179.5178.3-1780121.1
406G26Very low29.3Very low73 Ų73144.7 Ų144.775%0.75379%0.789SS**  cis141.7176.3-0.300000113.1
407L26.1Very low30.2Very low166 Ų166142.1 Ų142.187%0.86978%0.781SS**  trans89.8114.5165-161.172000120
408C27.4Very low29.9Very low109 Ų109142.8 Ų142.874%0.73678%0.78SS**  trans59.7160.1152.5-67.20000120.4
409D24.8Very low29.8Very low150 Ų150142.7 Ų142.780%0.80277%0.773SS**  cis-137.1-177.98.4-150.6-6.9000114.1
410S26Very low29.5Very low104 Ų104140.6 Ų140.673%0.72778%0.777SS**  trans-124154.8-165-54.30000116.6
411A28.6Very low29.3Very low83 Ų83136.1 Ų136.169%0.68677%0.769SS**  trans83.7150.6140.400000122
412K28.1Very low30.3Very low196 Ų196139.2 Ų139.285%0.85278%0.776SS**  trans73.9150.1150.9-75.9164.2-174.91760118
413K26.9Very low30.3Very low155 Ų155134.9 Ų134.967%0.67477%0.771SS**  cis-169.6154.3-20-153.1-174.4163.9-74.80108.2
414D26.1Very low30.2Very low114 Ų114132.5 Ų132.561%0.6177%0.774SS**  trans59.1170.5166.3-44.9-45.8000116
415E25.5Very low29.9Very low185 Ų185133.5 Ų133.586%0.86478%0.781SS**  cis-152.8175.17.4-151.3162-17800112.1
416L31.1Very low29.8Very low156 Ų156128.9 Ų128.982%0.81777%0.771SS**  trans-93.9-174.3166.1-90.3163000109.2
417P49.9Very low29.9Very low101 Ų101131.9 Ų131.966%0.65678%0.775SS**  cis-149-163.419.245-22.6000117.7
418E29.9Very low31.2Very low169 Ų169129.1 Ų129.179%0.7977%0.766SS**  trans69.4156.8152.7-71.6-160.3138.300122.1
419L32.6Very low32Very low144 Ų144129.3 Ų129.375%0.75477%0.766SS**  cis-172.5131.3-30.3-170.9159.3000109.8
420A27.7Very low32.1Very low103 Ų103128.3 Ų128.385%0.85177%0.766SS**  trans-161.8146163.400000115.5
421G28Very low32.1Very low67 Ų67128.6 Ų128.669%0.69177%0.768SS**  trans-142.9-169165.800000109.9
422P49.6Very low32.1Very low138 Ų138131.8 Ų131.890%0.89677%0.773SS**  cis-116.5-135.820.526.4-0.9000111.5
423A29.6Very low32.2Very low88 Ų88129.1 Ų129.173%0.72777%0.768SS**  cis-159-168.39.900000112.7
424L29.4Very low32.9Very low171 Ų171126.9 Ų126.990%0.89577%0.769SS**  trans-136.4154.9-171.9-71.887.2000114.9
425S24.5Very low32.8Very low118 Ų118126.3 Ų126.383%0.82578%0.78SS**  trans-165.5-177.3139.365.90000112.5
426T27Very low32.9Very low117 Ų117122.7 Ų122.772%0.71878%0.782SS**  -147122.1-11935.90000119
427V28.9Very low32.9Very low136 Ų136121.2 Ų121.282%0.82478%0.784SS**  trans56-177.2140.2-125.20000121.5
428P54.3Low31.8Very low107 Ų107119.8 Ų119.870%0.69579%0.788SS**  -123-167.1-123.945.6-26.4000116.5
429P42.8Very low31.8Very low113 Ų113123.6 Ų123.673%0.73480%0.795SS**  -159.6147.695.541.2-20.2000121.6
430T28.6Very low31.7Very low130 Ų130126.3 Ų126.380%0.79880%0.8SS**  trans34.9131.8140.663.50000127.6
431S25.5Very low31.6Very low109 Ų109126.8 Ų126.876%0.76280%0.796SS**  -176.1117.4115.556.50000111.6
432L28.9Very low31.5Very low151 Ų151130.4 Ų130.479%0.79180%0.799SS**  60.4134.690.4-62.5174.7000115.2
433N29.2Very low30.3Very low140 Ų140133.5 Ų133.575%0.74980%0.799SS**  cis-172.9-173.3-7-126.85.6000108.2
434P41.1Very low30Very low108 Ų108138.7 Ų138.770%0.70180%0.8SS**  -132.2-169.5-51.639.5-21.3000114.5
435A23.9Very low29.9Very low102 Ų102136.4 Ų136.484%0.84379%0.793SS**  trans93.4106.7148.200000122.1
436A28.6Very low30Very low109 Ų109137.6 Ų137.690%0.90179%0.785SS**  trans-152.7141.7138.600000109
437S30.1Very low30.1Very low125 Ų125140.6 Ų140.687%0.87479%0.791SS**  trans-94.9137.4-177.5-171.30000111.9
438G27.8Very low30.1Very low70 Ų70141.6 Ų141.672%0.72279%0.792SS**  trans-85144.9176.600000113.1
439R30Very low29.1Very low250 Ų250145.4 Ų145.494%0.94380%0.8SS**  trans-136.4142.9161-88.4-173.6172-174.1-3110.8
440K31Very low28.7Very low200 Ų200149.4 Ų149.487%0.8781%0.809SS**  trans-71.8144.9167.7-58.3173-178.5177.80108.3
441C24.8Very low28.8Very low113 Ų113152.5 Ų152.576%0.76481%0.814SS**  trans-110.2121.9166.1-152.60000109.3
442L26.3Very low29.1Very low144 Ų144155.2 Ų155.275%0.75482%0.82SS**  trans-87.6132.8164.6-79.773.1000107.1R444L442-R444 PolarHBondContact O-N 3.31Å
443F23.9Very low29.6Very low203 Ų203156.4 Ų156.489%0.8982%0.822SS**  trans-83.395157-85.1-85000108.5
444R23.6Very low29.7Very low196 Ų196158 Ų15874%0.7483%0.825SS**PPolyproline II helixtrans-87.5125.3158.7-179.7178.9176.9111.52.4106.2L442 E446L442-R444 PolarHBondContact O-N 3.31Å; R444-E446 HydrophobicContact CG-CG 4.2Å; R444-E446 IonicContact NE-OE1 2.61Å; R444-E446 PolarHBondContact NE-OE1 3.29Å
445V27.8Very low29.3Very low124 Ų124157.9 Ų157.975%0.75282%0.819SS**PPolyproline II helixtrans-78.4128.2163.3178.80000105.9E447V445-E447 HydrophobicContact CG1-CG 4.44Å
446E26.6Very low29.6Very low143 Ų143162.9 Ų162.967%0.66882%0.821SS**PPolyproline II helixtrans-100136.1165.9-56.5-163130.200106.5R444R444-E446 HydrophobicContact CG-CG 4.2Å; R444-E446 IonicContact NE-OE1 2.61Å; R444-E446 PolarHBondContact NE-OE1 3.29Å
447E29Very low29.6Very low180 Ų180165.4 Ų165.484%0.84181%0.812SS**  trans-104.1100.8-177.6-66.1179129.400105.9V445 E449V445-E447 HydrophobicContact CG1-CG 4.44Å; E447-E449 PolarHBondContact O-N 2.95Å
448D27.7Very low29.7Very low157 Ų157165.1 Ų165.184%0.8481%0.807SS**PPolyproline II helixtrans-74.3122.7176.8-68.4-46.3000109.7
449E33.7Very low29.7Very low186 Ų186168.6 Ų168.687%0.86981%0.814SS**PPolyproline II helixtrans-87.8122171-60.8-178.1131.400108.4E447E447-E449 PolarHBondContact O-N 2.95Å
450E34.3Very low29.4Very low198 Ų198161.4 Ų161.493%0.92580%0.802SS**PPolyproline II helixtrans-87.5123.9170.4-71.1-173150.800109.7
451E30.9Very low29.1Very low194 Ų194159.5 Ų159.591%0.90780%0.8SS**PPolyproline II helixtrans-82.7153.3-178.1-62.9-176.4119.300113.1
452D31.1Very low29Very low166 Ų166158.5 Ų158.589%0.88880%0.795SS**PPolyproline II helixtrans-70.6149.6175.3-69.2-69.8000113.2
453E39.6Very low29Very low177 Ų177157.9 Ų157.983%0.82780%0.797SS**  trans-145.8163.9165.3-103.9-62.716800113
454E31.9Very low29Very low173 Ų173156.5 Ų156.581%0.80879%0.794SS**  trans-84.4136.7-139.9-72.3-165.9136.600121.2
455D32.3Very low29Very low106 Ų106152.6 Ų152.657%0.56779%0.791SS**  trans12.9125.1132.5-161.12.5000120.2K457D455-K457 IonicContact OD1-NZ 2.7Å; D455-K457 WeakPolarHBondContact OD2-CE 3.45Å; D455-K457 IonicContact OD2-NZ 3.42Å; D455-K457 PolarHBondContact OD2-NZ 2.89Å
456K30.1Very low28.8Very low207 Ų207152 Ų15290%0.979%0.788SS**  trans-139.9115.3158.7-97174.7-173.6155.10112.9
457K29.5Very low28.7Very low161 Ų161152.6 Ų152.670%0.780%0.795SS**  trans-86.6155.1175.3-66.4164.3-172.8122.60111.8D455D455-K457 IonicContact OD1-NZ 2.7Å; D455-K457 WeakPolarHBondContact OD2-CE 3.45Å; D455-K457 IonicContact OD2-NZ 3.42Å; D455-K457 PolarHBondContact OD2-NZ 2.89Å
458P32.9Very low28.5Very low120 Ų120155.9 Ų155.978%0.77980%0.799SS**  -132132.1104.119.3-0.7000112.5
459V25.9Very low28.4Very low142 Ų142159 Ų15986%0.86180%0.799SS**  69.312994-179.80000114.2
460S24.1Very low27.9Very low99 Ų99158.9 Ų158.969%0.69280%0.796SS**  trans-102.6170.1-17256.40000113.6
461L24.5Very low28Very low160 Ų160154.7 Ų154.784%0.83879%0.786SS**  -173.4156.4121-100.1168.6000114.6
462S23.5Very low27.7Very low93 Ų93150.5 Ų150.565%0.6578%0.778SS**  trans-0.1147.4161.6520000120.8
463T25.8Very low27.4Very low131 Ų131148.7 Ų148.780%0.80477%0.773SS**  -164.5174.268.7-56.10000113
464Q23.7Very low26.9Very low174 Ų174147.1 Ų147.181%0.81378%0.776SS**  trans-107-169.5-176.1-54.6-178.328.500111.1
465V23.8Very low26.5Very low113 Ų113145.8 Ų145.869%0.68577%0.774SS**  cis-165149.619.9750000114.3
466V24.5Very low26.4Very low113 Ų113152.6 Ų152.669%0.68579%0.792SS**  trans66110.5149.9156.60000124
467L24.3Very low26.1Very low154 Ų154150.1 Ų150.181%0.80679%0.787SS**  34.8134.5128.2-47.9167.5000124.2
468R25.1Very low26.1Very low249 Ų249148.5 Ų148.594%0.9479%0.791SS**  -155.2-177.3120.1-121.1176.2174.588.4-3.3113.2
469R24Very low25.7Very low224 Ų224147.5 Ų147.585%0.84579%0.787SS**  trans-156.6147.7-161-117.9-179.6177.3173.40.9114.6
470K23.9Very low25.9Very low182 Ų182152.9 Ų152.979%0.79179%0.792SS**  trans70.5165.1149.5-79.8-170.8175.2-164.90119.4
471P37.5Very low26.1Very low110 Ų110157.6 Ų157.671%0.71480%0.8SS**  cis-140.7-166.8-17.835.2-13.1000116.4
472S24.1Very low26.5Very low107 Ų107156 Ų15675%0.74880%0.802SS**  trans80.2140.5162.765.90000118.8
473V25.3Very low26.8Very low128 Ų128156 Ų15678%0.77681%0.808SS**  cis115.6114.71.4171.10000115.3
474T27.4Very low27.9Very low144 Ų144154.3 Ų154.388%0.88380%0.799SS**  trans-171.7148.4142.924.80000112.3
475N24.7Very low28.3Very low145 Ų145152.3 Ų152.378%0.77580%0.799SS**  trans-102.5159.3-175.8-51.33.1000113.5
476R29Very low28.7Very low248 Ų248152.2 Ų152.294%0.93679%0.794SS**  -171.5148.2120.9-104.8168.2-165.9-129.12.1116.2
477L25.4Very low28.9Very low155 Ų155153.8 Ų153.881%0.81280%0.798SS**  trans-52.8160.8171.7-8659.5000113.4
478T28Very low29.3Very low128 Ų128153.3 Ų153.379%0.78579%0.792SS**  -154.8132.151.551.50000118.2
479S25Very low29.5Very low99 Ų99147.9 Ų147.969%0.69278%0.78SS**  53.5110.3128.5-165.90000121.8
480R30.3Very low29.6Very low254 Ų254146.2 Ų146.296%0.95878%0.779SS**  trans-128.6160.7134.9-82.8-167.7169.8-163.6-2.4109.7
481K28.4Very low30.4Very low199 Ų199145.4 Ų145.487%0.86578%0.778SS**  trans-114.7131-169.7-63.5-179.9178.8-179.40113
482S32.3Very low30Very low125 Ų125149.4 Ų149.487%0.87479%0.788SS**  trans-158.3123.4155.7490000108.8
483A31.3Very low30.5Very low94 Ų94148 Ų14878%0.77779%0.79SS**  trans-179.5162.9-178.300000110.3
484P47.8Very low30.7Very low96 Ų96151.2 Ų151.262%0.62380%0.796SS**  cis-124.7-167.7-28.334.2-14.1000110.4L486P484-L486 HydrophobicContact CB-CG 4.37Å
485V32.2Very low30.8Very low132 Ų132148.9 Ų148.980%0.879%0.786SS**SBend-172.9140.180.3162.10000107.8
486L31.6Very low31.6Very low111 Ų111149.9 Ų149.958%0.58179%0.791SS**SBendcis-166.5155.9-29.2-102.7159.6000104.6P484P484-L486 HydrophobicContact CB-CG 4.37Å
487N29.3Very low31.7Very low145 Ų145145.2 Ų145.278%0.77579%0.785SS**  cis-125.2141.119.9-68.9-77.3000113.1
488Q32.4Very low32Very low144 Ų144146.6 Ų146.667%0.67379%0.787SS**  trans-97.6-161.5168.5-69.4176-60.400108.9
489I29.8Very low32.2Very low136 Ų136150.4 Ų150.470%0.69779%0.793SS**  cis-155.8138.628.7-56.1167.6000105.6
490F25.7Very low32.7Very low189 Ų189152.6 Ų152.683%0.82980%0.797SS**  -154.3148.664.9-119.1-76.6000113.2
491E41Very low33.2Very low164 Ų164148.6 Ų148.677%0.76679%0.792SS**  trans-128.6149.3167.6-67.5177.2123.200109.8
492E28.6Very low33.3Very low195 Ų195146.6 Ų146.691%0.91179%0.79SS**  trans-135151.8151.9-74-171.1142.900106.5
493G35.4Very low33.5Very low77 Ų77149.2 Ų149.279%0.79479%0.789SS**  trans-160.6139.3-17400000115.7
494E29.6Very low33.4Very low195 Ų195151.6 Ų151.691%0.91179%0.788SS**  trans-153.9154169.7-76.4179.5147.700104.8
495S28.6Very low32.6Very low96 Ų96154.4 Ų154.467%0.67180%0.797SS**  cis-157.1-178.2-17.148.30000107.5
496D42.6Very low32.7Very low166 Ų166153.6 Ų153.689%0.88880%0.795SS**  trans-63.2134.2165.6-72.2-60.1000110.1
497D29.9Very low32.9Very low149 Ų149154.2 Ų154.280%0.79781%0.805SS**  trans-130.2133.3170.6-102.4-38.1000110.3
498E33.4Very low32.8Very low184 Ų184156.9 Ų156.986%0.8681%0.81SS**  trans-84.4122.7-170.9-170.6164-153.700110.7D500E498-D500 VanDerWaalsContact C-N 3.28Å; E498-D500 PolarHBondContact O-N 3.1Å
499F31.1Very low32.7Very low209 Ų209158.7 Ų158.792%0.91782%0.823SS**  trans-83.167.7-173.3-118.4-82.2000112.5
500D35.5Very low32.8Very low145 Ų145157.4 Ų157.478%0.77583%0.827SS**  trans-93.7139.9166.8-139.3-13.3000110.3E498E498-D500 VanDerWaalsContact C-N 3.28Å; E498-D500 PolarHBondContact O-N 3.1Å
501M41.3Very low33.2Very low170 Ų170160.1 Ų160.184%0.83783%0.831SS**  trans-151.8122.6179.4-110.9-71.8170.100110.3
502D30.9Very low32.6Very low156 Ų156160.8 Ų160.883%0.83484%0.839SS**  trans-57.5141.8-163.7-107.2-49000115.5
503E35.1Very low32.6Very low180 Ų180160 Ų16084%0.84183%0.833SS**  trans-66.2142160.3-79.3-163.2127.700110.1
504N30.4Very low32.5Very low144 Ų144164.2 Ų164.277%0.7783%0.834SS**  trans-158.1139.7147.1-111.1-69.8000112.7
505L30.1Very low32.4Very low156 Ų156161.9 Ų161.982%0.81783%0.828SS**SBendtrans71.6157.6176.3-48.7172.4000115.8
506P34.5Very low32.5Very low114 Ų114164.9 Ų164.974%0.7483%0.834SS**  -124.1175.6-70.932-14.3000112.3K508P506-K508 PolarHBondContact O-N 3.11Å
507P34.8Very low31.9Very low124 Ų124161.6 Ų161.681%0.80583%0.83SS**  trans-80.7121.4-156.929.6-35.6000116.8
508K29Very low32Very low202 Ų202159.9 Ų159.988%0.87883%0.83SS**  trans30.4100.3134.2-65.8165.6-176.3158.30117.1P506P506-K508 PolarHBondContact O-N 3.11Å
509L29.6Very low32.3Very low181 Ų181157.1 Ų157.195%0.94883%0.828SS**  trans-64.9147.6157.7-80.1172000111.3
510S32.3Very low32.2Very low110 Ų110150.5 Ų150.577%0.76982%0.819SS**  trans-87.7147.3-166.648.90000113.7L512S510-L512 PolarHBondContact O-N 3.19Å
511R32.9Very low31.9Very low246 Ų246150.1 Ų150.193%0.92882%0.822SS**  trans-66.7114.3170.5-85.1179.4161.5150.1-5110.3K513R511-K513 PolarHBondContact O-N 2.98Å
512L29.1Very low31.4Very low177 Ų177148.1 Ų148.193%0.92782%0.819SS**  trans-58.9128.2162-81.3162.7000109.6S510S510-L512 PolarHBondContact O-N 3.19Å
513K29Very low31.3Very low180 Ų180148.9 Ų148.978%0.78382%0.817SS**  trans-125.4108.7173.4-177178.2177.7-178.40108.4R511 N515R511-K513 PolarHBondContact O-N 2.98Å; K513-N515 PolarHBondContact O-N 3.3Å
514M32.3Very low31.1Very low164 Ų164149.8 Ų149.881%0.80882%0.818SS**  trans-65.8127.5177.9-69.5-72.9-85.500110.4
515N27.5Very low30.9Very low147 Ų147152.7 Ų152.779%0.78682%0.818SS**  trans-103.7130.9164.5-71.3-32.5000108K513K513-N515 PolarHBondContact O-N 3.3Å
516I31.8Very low30.8Very low159 Ų159154.1 Ų154.182%0.81581%0.814SS**  trans-124.3136.6164.2-67.5-179.8000107
517A29.3Very low30.6Very low96 Ų96156.8 Ų156.879%0.79382%0.817SS**PPolyproline II helixtrans-92.9152.8-169.800000113
518S31.6Very low30.4Very low114 Ų114162 Ų16280%0.79782%0.82SS**PPolyproline II helixtrans-98.9147.7171.5-47.40000111.5
519P40.6Very low30.5Very low125 Ų125164.4 Ų164.481%0.81282%0.824SS**PPolyproline II helixtrans-74.7153.3157-12.529.5000111.8
520G28.2Very low30.7Very low71 Ų71165.6 Ų165.673%0.73282%0.821SS**  trans-77.1179.816400000111.9
521T30.6Very low30.7Very low136 Ų136166.1 Ų166.183%0.83483%0.825SS**  cis-148.9176.217.748.40000108.9
522V29.2Very low30.7Very low129 Ų129163.8 Ų163.878%0.78283%0.825SS**  -167.416464.5170.20000110.1
523H29Very low30.8Very low171 Ų171159.2 Ų159.279%0.79282%0.82SS**  trans-76.1147.1-172-41.9-89.4000118.3
524K30.8Very low30.9Very low199 Ų199163.1 Ų163.187%0.86583%0.83SS**  171.1126.6117.4-89.1158-175.7176.10108.9
525R26.4Very low30.7Very low205 Ų205159 Ų15977%0.77483%0.83SS**  cis93.388.836.5-168.4-161-159.9-178.89.3113.7
526Y27.8Very low30.9Very low186 Ų186157.6 Ų157.673%0.72983%0.832SS**  -173.6-166.9123.7-111.6-77.5000113.9
527H30.6Very low31Very low171 Ų171154.7 Ų154.779%0.79283%0.825SS**  trans-108.7154.3-147.2-88.2-121000118.6
528R30.9Very low31.1Very low234 Ų234156 Ų15688%0.88383%0.827SS**  trans-60.6135.9163.9168.5-165.6-172.8-171.75.7114.4
529R31.2Very low31.1Very low251 Ų251155.4 Ų155.495%0.94782%0.823SS**  trans-164.2163.2143.7-111.7170.1-167.3-157.12.2113.8
530K34.5Very low31Very low206 Ų206154.2 Ų154.290%0.89682%0.818SS**  trans-94.6152173.6-67.4176.5171.1-177.60110.6
531S31.5Very low31.6Very low122 Ų122155 Ų15585%0.85381%0.812SS**  trans-166.6166.6136.153.90000111.9
532Q33.8Very low32.1Very low196 Ų196156.4 Ų156.492%0.91681%0.809SS**  trans-83.3165.3174.1-58.8150.2-6000111
533G30.1Very low32.4Very low81 Ų81156.4 Ų156.484%0.83581%0.809SS**  trans177.5126.4166.700000113.5
534R31.7Very low32.8Very low262 Ų262152.3 Ų152.399%0.98980%0.8SS**  trans-80.2154.1177.5-63.7170.2171.7175.7-5.5111.4
535G27.7Very low33.4Very low78 Ų78149.7 Ų149.780%0.80480%0.796SS**  trans-168131.1166.100000112.7
536S31.7Very low34Very low118 Ų118146.6 Ų146.683%0.82580%0.795SS**  trans-84.8179175.1-52.80000110.4
537S34.9Very low34.6Very low98 Ų98144 Ų14469%0.68579%0.793SS**  cis-164.4166.525.7-41.90000112.2
538C30.7Very low35.2Very low122 Ų122140.2 Ų140.282%0.82479%0.786SS**  trans54.4152.8150.769.70000120.7
539S31.1Very low35.5Very low102 Ų102135.9 Ų135.971%0.71378%0.776SS**  cis-151.9157.1-3.9-132.60000113
540S38.5Very low35.6Very low101 Ų101129.5 Ų129.571%0.70677%0.77SS**  trans28.7148137.6-33.70000121.4
541S41.5Very low35.6Very low87 Ų87130.2 Ų130.261%0.60877%0.767SS**  cis-145145.321.5-78.60000111.1
542E40Very low35.7Very low166 Ų166136.4 Ų136.478%0.77677%0.771SS**  61.7134.297.3-49.4162.1135.500113.8
543T36.3Very low35.9Very low128 Ų128138.1 Ų138.179%0.78577%0.769SS**  cis-162.2175.81.96.10000107.7
544S37.8Very low36.1Very low85 Ų85141.3 Ų141.359%0.59477%0.767SS**  cis-166142-0.939.20000109.1
545D43.2Very low36.2Very low145 Ų145135.3 Ų135.378%0.77575%0.754SS**  50.4153.9123.6-37.9-26.3000120.6
546D39.8Very low36.3Very low140 Ų140140 Ų14075%0.74975%0.752SS**  cis-152.81288.7-137.928.9000107
547D39.8Very low36.3Very low131 Ų131141.2 Ų141.270%0.70175%0.749SS**  84.1158.787.7-131.437.7000113.7
548S42.9Very low36.1Very low91 Ų91140.5 Ų140.564%0.63676%0.758SS**  cis-150.2167.515.1-159.10000116.3
549E36.8Very low35.9Very low144 Ų144137.9 Ų137.967%0.67375%0.752SS**  trans-10.4148.5164.8-71.7-131.2101.200120.6
550S33Very low35.7Very low117 Ų117143.5 Ų143.582%0.81876%0.764SS**  -162.9149.769.7-65.60000116.6
551R35.6Very low35.1Very low220 Ų220141.5 Ų141.583%0.8375%0.753SS**  trans-99159.4173.9-60.6173.1173.8177.30.7112.9
552R33.6Very low34.6Very low252 Ų252148 Ų14895%0.95177%0.766SS**  trans-163.6163.2131.7-105.9162.1-149.2-143.45.5112.1
553R36.3Very low34Very low233 Ų233144.6 Ų144.688%0.87976%0.76SS**  trans-134.6144.6172.4-74178.4169.2172.6-4.7108.3
554L35.2Very low33.7Very low148 Ų148148.9 Ų148.978%0.77576%0.762SS**  156.8140.4124.1-84.2162.9000112.3
555D33.1Very low33.4Very low136 Ų136152.7 Ų152.773%0.72777%0.77SS**  trans58.3111.3140.1-63.23.1000123.1
556K31.3Very low32.9Very low176 Ų176155.8 Ų155.877%0.76577%0.771SS**  100.4132.6108.5-168.7173-175.9177.80120.8
557D31.8Very low32.5Very low143 Ų143161 Ų16177%0.76578%0.78SS**  trans31.8118158.3-52.2-25.9000121
558G29Very low32.2Very low84 Ų84161.3 Ų161.387%0.86678%0.782SS**  trans-172.6129.7163.800000112.1
559G27.9Very low31.9Very low67 Ų67162.6 Ų162.669%0.69179%0.791SS**  trans-114-172175.500000112.9
560F25.9Very low31.8Very low220 Ų220160.4 Ų160.497%0.96579%0.792SS**  trans70.8149.3-172.9-61.9-92.2000115.1
561A27Very low31.8Very low59 Ų59164.3 Ų164.349%0.48880%0.797SS.*  cis158.7115.9-2500000106.6
562Y30.3Very low31.9Very low224 Ų224157.1 Ų157.188%0.87879%0.791SS**  trans46.6128.1159.2-28.7-64.8000121
563S26.9Very low32.5Very low93 Ų93151.2 Ų151.265%0.6579%0.786SS**  -175.4119.1128.2-160.20000113.3
564W30.7Very low33.2Very low218 Ų218146.2 Ų146.283%0.82678%0.783SS**  27.9148.1127.1-53.2105.1000121.3
565H32Very low33.2Very low166 Ų166143 Ų14377%0.76979%0.786SS**  -166.7150.863.4-96.7-75.4000116.4
566R31.8Very low33.1Very low209 Ų209142.3 Ų142.379%0.78979%0.792SS**  trans-75.7171.6150.5-70.1-179.9175.5173.9-2.2110.3
567R32.1Very low33.3Very low250 Ų250143.3 Ų143.394%0.94380%0.799SS**  trans-113.6142.9154.1-84-167.9173.1-147.8-1.6111.3
568D32.4Very low33.2Very low137 Ų137140.2 Ų140.273%0.73380%0.801SS**  trans-103.7164.9176.6-57.9-69.5000111.7
569S37Very low33.3Very low119 Ų119144.7 Ų144.783%0.83281%0.805SS**  trans-178.2143.3140.5-81.20000108.9
570S35.6Very low33.4Very low98 Ų98144.6 Ų144.669%0.68580%0.804SS**  cis-162.4143.70.445.40000112.2
571E33Very low33.6Very low198 Ų198138.2 Ų138.293%0.92580%0.801SS**  trans61.6137.8145.6-65.3-177.1155.800123
572G37.7Very low33.7Very low69 Ų69139.3 Ų139.371%0.71182%0.818SS**  trans-161.2148.1155.600000109.6
573P44.9Very low33.9Very low129 Ų129137.9 Ų137.984%0.83882%0.819SS**PPolyproline II helixtrans-88.1162173.8-5.525.3000112.8
574P50.8Low34.2Very low127 Ų127139.1 Ų139.183%0.82583%0.828SS**PPolyproline II helixtrans-86.8162.7-167.535.3-37000114.7
575G35.4Very low34.5Very low81 Ų81138.3 Ų138.384%0.83583%0.83SS**PPolyproline II helixtrans-79.3166.8170.600000113.8
576S31.4Very low35.2Very low121 Ų121135.7 Ų135.785%0.84683%0.828SS**  trans-127.7146.4170.7-177.40000109.2
577E36.1Very low35.3Very low197 Ų197130.9 Ų130.992%0.92183%0.826SS**  trans-69.3149.8170.8-61.4178.4115.700110.3
578G30.1Very low35.3Very low79 Ų79124.4 Ų124.481%0.81482%0.819SS**  trans-167.9117.3-176.500000112.7
579D30.9Very low35.2Very low177 Ų177121.9 Ų121.995%0.94783%0.825SS**  trans-69.9168178.5179.536.8000113.5
580G29.3Very low34.8Very low65 Ų65120.2 Ų120.267%0.6783%0.827SS**  trans119.9122.3161.800000115.9
581G29.4Very low34.6Very low86 Ų86118.7 Ų118.789%0.88783%0.827SS**  trans-95.4163.8169.800000113.3
582G29.1Very low34.8Very low82 Ų82115.5 Ų115.585%0.84582%0.821SS**  trans-166139.6176.200000113.5
583Q35.7Very low34.5Very low195 Ų195118.5 Ų118.591%0.91182%0.82SS**  trans-91.1146.5174.7-58.8173500110.7
584S33Very low34.2Very low119 Ų119121.1 Ų121.183%0.83282%0.819SS**  trans-174.4124.7132.429.60000114.1
585K36.7Very low33.3Very low200 Ų200120.9 Ų120.987%0.8782%0.82SS**  trans-89.6151.5141.9-85.3-178.1172.4178.40107.2
586P46.5Very low33.4Very low112 Ų112122.4 Ų122.473%0.72782%0.818SS**  -126.9153.987.3419.1000112.1
587S33.6Very low34.3Very low107 Ų107123 Ų12375%0.74882%0.819SS**  66.5142.371.1109.90000113.6
588S32.1Very low34.1Very low114 Ų114117.2 Ų117.280%0.79781%0.812SS**  cis-165.216718.349.50000113.6
589G30.2Very low34.4Very low84 Ų84122.5 Ų122.587%0.86682%0.816SS**  trans98142164.400000116.5
590G30.3Very low34.6Very low84 Ų84123.7 Ų123.787%0.86682%0.816SS**  cis150.9130.8-9.800000113.5
591G30.2Very low34.7Very low67 Ų67123.5 Ų123.569%0.69181%0.814SS**  trans93126.1-173.900000112.5
592V36.5Very low34.9Very low131 Ų131126.9 Ų126.979%0.79482%0.818SS**  cis58.713411.1-99.80000115.5
593D31.7Very low34.9Very low131 Ų131127 Ų12770%0.70182%0.819SS**  cis-1321626-91.7-73.2000109.7
594K39.7Very low34.7Very low184 Ų184121.5 Ų121.580%0.882%0.815SS**  cis82.9102.240-150.6-169.1-170.4-176.40115.4
595S31.2Very low34.5Very low122 Ų122120 Ų12085%0.85382%0.818SS**  trans169.5153.2140.442.50000115.2
596S37Very low34.3Very low114 Ų114113.8 Ų113.880%0.79781%0.811SS**  trans-106.6-176161.2-31.20000108.2
597P51.5Low33.7Very low134 Ų134117.9 Ų117.987%0.8782%0.82SS**  cis-145.4-156.925.243.9-21.6000114.7
598G31.9Very low33.6Very low75 Ų75117.9 Ų117.977%0.77382%0.82SS**  trans150.8146157.600000117
599E37Very low33.6Very low189 Ų189116 Ų11688%0.88382%0.819SS**  trans-121178174.3-74.4-170.396.200112.1
600Q34.3Very low33.6Very low202 Ų202118 Ų11894%0.94482%0.82SS**  trans80.1143.6173.1-47.3175.822.300115.5
601G31.8Very low33.5Very low62 Ų62118 Ų11864%0.63982%0.82SS**  cis166.9178.4-8.100000113.9
602T32.7Very low33.4Very low157 Ų157118.8 Ų118.896%0.96383%0.827SS**  trans80.8148.7165.775.70000121.5
603G29.8Very low33.2Very low84 Ų84119.1 Ų119.187%0.86683%0.83SS**  trans101.8125.3162.700000117.3
604G31.4Very low34.2Very low80 Ų80118 Ų11883%0.82583%0.83SS**  cis161.4112.8-14.400000115.5
605G29.8Very low33.9Very low88 Ų88114 Ų11491%0.90783%0.825SS**  trans82.7153.4165.300000117.7
606G31.2Very low33.8Very low69 Ų69115.4 Ų115.471%0.71182%0.823SS**  cis161.4144.9-14.500000115.4
607Q35Very low33.6Very low197 Ų197114.4 Ų114.492%0.92182%0.821SS**  trans69.8152.6161.6-68.5-179.652.300117.6
608S31.6Very low32.6Very low107 Ų107113.1 Ų113.175%0.74882%0.823SS**  cis-161.8137.7-5.543.60000114.5
609G30.2Very low32.4Very low76 Ų76112.8 Ų112.878%0.78482%0.819SS**  trans71.3173.3142.500000120.8
610S31.4Very low32.1Very low125 Ų125109.7 Ų109.787%0.87482%0.818SS**  cis-177.5132.6-24.746.50000113.4
611G28.5Very low31.9Very low85 Ų85104.9 Ų104.988%0.87681%0.807SS**  trans100.6154147.700000120.1
612G28.2Very low31.9Very low82 Ų82113 Ų11385%0.84582%0.818SS**  trans109.499.5147.100000119.8
613T32.7Very low31.8Very low139 Ų139116.8 Ų116.885%0.85382%0.815SS**  trans-100.4-178.4149.855.20000108.4
614P51.8Low31.8Very low107 Ų107118.7 Ų118.770%0.69581%0.814SS**  cis-143.7-154.81143.2-20.8000115.5
615S32.6Very low31.7Very low99 Ų99119.3 Ų119.369%0.69281%0.811SS**  trans72149.4162.925.90000118
616D29.9Very low31.7Very low152 Ų152118.3 Ų118.381%0.81380%0.801SS**  cis-154.9172.51.3-131.9-37.9000114.3
617A31.6Very low32.6Very low93 Ų93120.3 Ų120.377%0.76980%0.801SS**  trans24.8149.3153.700000122.7
618A30.7Very low32.4Very low108 Ų108118.5 Ų118.589%0.89380%0.797SS**  cis-169.8172.1-7.100000107.7
619G28.7Very low32.3Very low67 Ų67118.1 Ų118.169%0.69180%0.795SS**  cis170.4178.8-3.900000111.8
620S29.8Very low32.4Very low124 Ų124119.5 Ų119.587%0.86779%0.793SS**  trans67156172.6-77.50000119.9
621S29.7Very low32.3Very low102 Ų102119 Ų11971%0.71379%0.789SS**  cis178.6158.7-36.2-110.70000111.8
622R32.1Very low32.2Very low232 Ų232120.4 Ų120.488%0.87579%0.786SS**  trans79.7126.1175.5-49.9172.8-171.1-155.1-0.7113.8
623R30.9Very low33Very low237 Ų237122 Ų12289%0.89478%0.781SS**  68.2134.150.2-60.3-171.2-179.7-158.52111.7
624C29.4Very low32.8Very low124 Ų124119.8 Ų119.884%0.83878%0.777SS**  cis-147.4173.733.7-76.80000111.1
625A29Very low31.7Very low93 Ų93120 Ų12077%0.76978%0.78SS**  cis-167.4167.1-20.900000109.9
626G29.8Very low31.5Very low67 Ų67119.8 Ų119.869%0.69179%0.785SS**  trans-75.8-176.3160.500000112.2
627P50.3Low31.4Very low110 Ų110118 Ų11871%0.71478%0.784SS**  -132.7139.867.91410.3000114.4
628D31.1Very low31.2Very low159 Ų159118.6 Ų118.685%0.8579%0.79SS**  91.8152.697.4-64.7-23.5000113
629S30.9Very low31.2Very low100 Ų100118 Ų11870%0.69979%0.785SS**  cis-148.5156.919.951.70000114
630S30.6Very low31.7Very low105 Ų105120.6 Ų120.673%0.73479%0.789SS**  trans43.3139.3147.454.90000122.3
631S30.7Very low31.7Very low115 Ų115126.7 Ų126.780%0.80479%0.793SS**  cis-168.5151.2-2.744.10000112.8
632S26.6Very low31.8Very low114 Ų114125.3 Ų125.380%0.79780%0.795SS**  trans-73.9-172.7170-33.20000112.3
633P43.9Very low31.8Very low114 Ų114119.3 Ų119.374%0.7480%0.795SS**  cis-124.4167.9231.1-7.7000114.4
634A27.9Very low31.7Very low93 Ų93117.1 Ų117.177%0.76980%0.795SS**  48.2138.979.600000115.4
635S29.7Very low31.8Very low111 Ų111119.4 Ų119.478%0.77680%0.798SS**  cis-161.6155.612.155.20000114.1
636A28.7Very low32Very low95 Ų95121.8 Ų121.879%0.78580%0.802SS**  trans34.2136.2152.700000120.8
637S26.8Very low32.2Very low115 Ų115127.6 Ų127.680%0.80481%0.812SS**  -179.3174.857.657.20000113.3
638A28.5Very low31.2Very low106 Ų106128.2 Ų128.288%0.87682%0.819SS**  trans74.9142.8165.900000119.2
639A30.7Very low31.2Very low96 Ų96129 Ų12979%0.79382%0.822SS**  trans-119.7178.8-178.900000109.2
640P38.3Very low31.2Very low120 Ų120133.9 Ų133.978%0.77983%0.831SS**  cis-125.7167.8-0.740.9-27.1000114.5
641R29.8Very low31.1Very low252 Ų252136.7 Ų136.795%0.95184%0.836SS**  trans-138.5126.3162.6-71.5-170.9177.3-177.3-0.2111.1
642G32.1Very low31Very low73 Ų73138 Ų13875%0.75384%0.839SS**  trans-90.5174.1157.100000110.6
643A32.9Very low31Very low106 Ų106138.3 Ų138.388%0.87684%0.841SS**  trans6971.1178.400000116.5
644E28.9Very low30.2Very low192 Ų192141 Ų14190%0.89785%0.849SS**  trans-145.980.6156.7-144.3161-118.300111.4
645L29.9Very low30.1Very low171 Ų171142.6 Ų142.690%0.89585%0.853SS**  trans-147.233.9172.3-151.2125.8000112.4
646V34.6Very low29.9Very low143 Ų143146 Ų14687%0.86786%0.861SS**SBendtrans-138.651.1-178.8-162.90000111.4
647Q32.8Very low29.8Very low189 Ų189145 Ų14588%0.88386%0.86SS**SBendtrans-148.824.1173.4-128.817133.300117.7
648S29.8Very low29.9Very low123 Ų123145.4 Ų145.486%0.8686%0.863SS**SBendtrans-119.820.5178.5-50.40000115.1
649L31.7Very low29.8Very low175 Ų175149.6 Ų149.692%0.91686%0.864SS**  trans-133.753.3175.7-84.4171.8000111.9
650K30.5Very low29.6Very low204 Ų204152.4 Ų152.489%0.88787%0.865SS**  trans-138.754.7168.5-86.7-161.8173-174.50112.3
651L29.4Very low29.2Very low163 Ų163155 Ų15585%0.85387%0.867SS**SBendtrans-143160.1158.2-13874.6000108.2
652V27.1Very low29.2Very low143 Ų143147 Ų14787%0.86786%0.863SS**  trans62.471.2-176.1-163.20000114
653S27.4Very low29Very low120 Ų120147.4 Ų147.484%0.83986%0.858SS**  trans-143.680.5151.9-173.80000108.7
654L27.6Very low28.8Very low171 Ų171151.9 Ų151.990%0.89586%0.858SS**  trans-175.186.8171.7-110169.9000109.4
655C24.8Very low28.7Very low127 Ų127153.1 Ų153.186%0.85886%0.856SS**  trans-173152.8153.9-114.80000110.6
656L26.6Very low28.6Very low182 Ų182152.7 Ų152.795%0.95385%0.853SS**  trans68.593.7-177.7-56.7177.2000115.4
657G24.7Very low28.1Very low73 Ų73154 Ų15475%0.75386%0.855SS**  trans-17635178.200000115.5
658S29.2Very low27.7Very low124 Ų124151.4 Ų151.487%0.86785%0.847SS**  trans-169.8102.4169.4-83.40000113
659Q26.5Very low27.7Very low194 Ų194151.5 Ų151.591%0.90784%0.844SS**  trans-159.675.9146.3-159.8168.96.400112.1
660L27.8Very low27.6Very low155 Ų155151 Ų15181%0.81284%0.837SS**SBendtrans-150.1111154.9-94.6-176.8000110.4
661H29.7Very low27.5Very low176 Ų176151.2 Ų151.282%0.81584%0.838SS**  trans55.197149.5-70.469.6000120.4
662G28.7Very low27.3Very low84 Ų84147.3 Ų147.387%0.86683%0.83SS**  65.873.495.500000118.7
663A28.5Very low27.3Very low80 Ų80147.8 Ų147.866%0.66183%0.827SS**  trans-132.8118.1158.800000110.6Y665A663-Y665 HydrophobicContact CB-CD2 4.49Å; A663-Y665 HydrophobicContact CB-CE2 4.43Å; A663-Y665 PolarHBondContact O-N 2.96Å
664K27.9Very low27.3Very low200 Ų200151.5 Ų151.587%0.8783%0.828SS**  trans-76.9110.5175.4-84.7-176176.2175.80110.5
665Y28Very low27.2Very low218 Ų218148.8 Ų148.886%0.85582%0.823SS**  trans-126.5116.5157.6-73.2-77.1000109.7A663A663-Y665 HydrophobicContact CB-CD2 4.49Å; A663-Y665 HydrophobicContact CB-CE2 4.43Å; A663-Y665 PolarHBondContact O-N 2.96Å
666I26.7Very low27.6Very low162 Ų162148.3 Ų148.383%0.83182%0.821SS**  trans-88.7129.4173.7-62168.3000107.5
667L25.2Very low27.5Very low172 Ų172145.4 Ų145.490%0.90181%0.811SS**  trans-159.4160.5157.5-109.9165.9000111.2
668D24.8Very low27.5Very low134 Ų134150.9 Ų150.972%0.71781%0.814SS**  trans-102.8132.3-152.3179.435000113.7Q670D668-Q670 PolarHBondContact O-N 2.62Å; D668-Q670 VanDerWaalsContact O-N 3.14Å
669P28.9Very low27.2Very low124 Ų124151 Ų15181%0.80581%0.809SS**  trans-88.762.5-169.936.1-38.5000115.3
670Q29.6Very low27.2Very low165 Ų165148.4 Ų148.477%0.77180%0.797SS**  trans-140.992.2167.3-81.3-161.83.300115.7D668D668-Q670 PolarHBondContact O-N 2.62Å; D668-Q670 VanDerWaalsContact O-N 3.14Å
671K27.8Very low27.2Very low208 Ų208149.1 Ų149.190%0.90480%0.796SS**  trans170.9123.2142.6-92.2147.2-168.9167.80107.8
672A26.1Very low27.4Very low82 Ų82146.8 Ų146.868%0.67878%0.784SS**  cis98.5109.849.500000113.1
673L26.5Very low27.6Very low153 Ų153147 Ų14780%0.80177%0.772SS**  trans68.4126.1159-73.384.1000121.5
674F28.6Very low27.9Very low197 Ų197147.7 Ų147.786%0.86477%0.768SS**  trans28.2113.7142.1-63.1-92.2000120.9
675S25.2Very low28.3Very low115 Ų115143.7 Ų143.780%0.80475%0.748SS**  -157.5159.7126.156.10000111.3
676S32.4Very low28.6Very low116 Ų116140 Ų14081%0.81174%0.736SS**  trans-89.9116.7-176.2-1770000111.7
677V23.8Very low29.1Very low122 Ų122135.1 Ų135.174%0.73971%0.711SS**  trans-98.7109.9170.4-179.30000109.6V679V677-V679 PolarHBondContact O-N 3.36Å
678K24.7Very low29.7Very low188 Ų188130.2 Ų130.282%0.81769%0.69SS**  trans-74110167.4-73.2178.2177.8173.70109.3Q680K678-Q680 PolarHBondContact O-N 2.75Å; K678-Q680 VanDerWaalsContact O-N 3.13Å
679V24.6Very low30.2Very low126 Ų126127.4 Ų127.476%0.76467%0.674SS**  trans-67.6108.6163.7-178.90000107.8V677 E681V677-V679 PolarHBondContact O-N 3.36Å; V679-E681 HydrophobicContact CG1-CG 4.2Å; V679-E681 PolarHBondContact O-N 3.21Å
680Q25.5Very low30.5Very low139 Ų139125.7 Ų125.765%0.6567%0.665SS**  trans-94.479.8178.6-177.1170108.400109.8K678 K682K678-Q680 PolarHBondContact O-N 2.75Å; K678-Q680 VanDerWaalsContact O-N 3.13Å; Q680-K682 HydrophobicContact CG-CD 3.98Å; Q680-K682 HydrophobicContact CG-CG 4.03Å; Q680-K682 PolarHBondContact O-N 2.96Å
681E29Very low30.6Very low171 Ų171122.4 Ų122.480%0.79967%0.666SS**  trans-63.5117.6169.3-72.2-163.612100110.4V679V679-E681 HydrophobicContact CG1-CG 4.2Å; V679-E681 PolarHBondContact O-N 3.21Å
682K31.8Very low30.8Very low126 Ų126118.5 Ų118.555%0.54866%0.662SS.*  trans-136.851176.6-85.3-176.3177.4165.10111.6Q680 T684Q680-K682 HydrophobicContact CG-CD 3.98Å; Q680-K682 HydrophobicContact CG-CG 4.03Å; Q680-K682 PolarHBondContact O-N 2.96Å; K682-T684 PolarHBondContact O-N 2.95Å
683S34.5Very low31.2Very low89 Ų89117.4 Ų117.462%0.62266%0.658SS**  trans-69.868167.247.50000111W685S683-W685 VanDerWaalsContact O-CD1 3.3Å; S683-W685 PolarHBondContact O-N 3.48Å
684T34.1Very low31.9Very low95 Ų95117.2 Ų117.258%0.58367%0.666SS**  trans-75.273.4-179.352.40000112K682 S729K682-T684 PolarHBondContact O-N 2.95Å; T684-S729 WeakPolarHBondContact O-CB 3.3Å
685W35.8Very low32.1Very low115 Ų115110.5 Ų110.544%0.43665%0.653SS.*  trans-66.5142.6162.2-65.492000110S683 I726 R728S683-W685 VanDerWaalsContact O-CD1 3.3Å; S683-W685 PolarHBondContact O-N 3.48Å; W685-I726 HydrophobicContact CE3-CG2 3.72Å; W685-I726 HydrophobicContact CZ3-CG2 3.75Å; W685-R728 HydrophobicContact CE3-CG 4.01Å; W685-R728 HydrophobicContact CH2-CG 3.4Å; W685-R728 VanDerWaalsContact CH2-CG 3.4Å; W685-R728 VanDerWaalsContact CH2-NE 3.28Å; W685-R728 HydrophobicContact CZ2-CG 4.15Å; W685-R728 HydrophobicContact CZ3-CB 4.32Å; W685-R728 HydrophobicContact CZ3-CG 3.29Å
686K35.5Very low32.5Very low142 Ų142111.5 Ų111.562%0.61766%0.656SS**EExtended strand (participates in β ladder)trans-124.4123.7173-166.3-176.4179.1-168.50108.5
687M35.9Very low32.8Very low59 Ų59110.8 Ų110.829%0.29166%0.657SS.*EExtended strand (participates in β ladder)trans-113.5133.5-179.1-155.7172.284.700108.8L713 V724 I726M687-L713 HydrophobicContact CE-CD2 3.49Å; M687-L713 VanDerWaalsContact CE-CD2 3.49Å; M687-V724 HydrophobicContact CE-CG1 3.68Å; M687-V724 HydrophobicContact CG-CG1 3.73Å; M687-V724 HydrophobicContact SD-CG1 3.39Å; M687-V724 WeakPolarHBondContact SD-CG1 3.35Å; M687-I726 HydrophobicContact CG-CG1 4.17Å; M687-I726 HydrophobicContact SD-CG1 4.07Å
688C37.4Very low33.2Very low68 Ų68109.3 Ų109.346%0.45966%0.658SS.*EExtended strand (participates in β ladder)trans-120140.7177.6-64.90000108.9
689I36.5Very low33.6Very low76 Ų76108 Ų10839%0.3966%0.66SS.*EExtended strand (participates in β ladder)trans-116.9133175.9-55.4174.2000106.4I722I689-I722 HydrophobicContact CG2-CG2 4.12Å
690S35.7Very low34.1Very low88 Ų88108.8 Ų108.862%0.61566%0.659SS**  trans-144.1122.5-176.755.60000110.3
691A32Very low34.5Very low95 Ų95109 Ų10979%0.78567%0.665SS**  trans-81.1139.6176.500000111.3
692P31.5Very low35Very low126 Ų126104.4 Ų104.482%0.81865%0.65SS**  trans-84.6112.9176.731.9-31.9000111.5
693G33.8Very low35.5Very low59 Ų59102.6 Ų102.661%0.60865%0.649SS**SBendtrans173.2138.717000000113.5G695G693-G695 PolarHBondContact O-N 2.8Å; G693-G695 VanDerWaalsContact O-N 3.1Å
694P41.3Very low35.8Very low150 Ų150108.6 Ų108.697%0.97466%0.658SS**SBendtrans-80.886.7175.832.7-33.1000110.7
695G32.3Very low36.2Very low56 Ų56109.2 Ų109.258%0.57766%0.662SS**SBendtrans-144.4163173.300000111.1G693 A697G693-G695 PolarHBondContact O-N 2.8Å; G693-G695 VanDerWaalsContact O-N 3.1Å; G695-A697 PolarHBondContact O-N 2.78Å
696P33.6Very low36.5Very low135 Ų135113.3 Ų113.388%0.87768%0.683SS**  trans-61136.4-178.526-34000111A698P696-A698 PolarHBondContact O-N 2.84Å; P696-A698 VanDerWaalsContact O-N 3.14Å
697A40.2Very low36.9Very low101 Ų101113.2 Ų113.284%0.83568%0.683SS**  trans-65.5113.2-170.100000112.3G695 D699G695-A697 PolarHBondContact O-N 2.78Å; A697-D699 PolarHBondContact O-N 3.25Å
698A31.7Very low37.5Very low91 Ų91115 Ų11575%0.75269%0.692SS**  trans-77.7111.4158.200000107.9P696 L700P696-A698 PolarHBondContact O-N 2.84Å; P696-A698 VanDerWaalsContact O-N 3.14Å; A698-L700 PolarHBondContact O-N 3.47Å; A698-L700 VanDerWaalsContact O-N 3.13Å
699D32.5Very low38Very low160 Ų160121 Ų12186%0.85671%0.706SS**  trans-71.2106.8-169.9-145.2-9.6000111.1A697A697-D699 PolarHBondContact O-N 3.25Å
700L35.5Very low38.7Very low144 Ų144125.1 Ų125.175%0.75473%0.728SS**  trans-98.293.9175.6-75.5176.9000109.4A698A698-L700 PolarHBondContact O-N 3.47Å; A698-L700 VanDerWaalsContact O-N 3.13Å
701D34.8Very low39.5Very low142 Ų142126.3 Ų126.376%0.75974%0.737SS**  trans-44123.5-177.4-144.9-19.1000112.4V703D701-V703 PolarHBondContact O-N 2.77Å; D701-V703 VanDerWaalsContact O-N 3.08Å
702P38.8Very low40.2Very low75 Ų75125.1 Ų125.149%0.48772%0.72SS.*  trans-63.6114.2-171.523.1-34.9000112.1R704P702-R704 PolarHBondContact O-N 3.16Å
703V41.4Very low41.3Very low89 Ų89122.5 Ų122.554%0.53970%0.698SS.*  trans-61.387.9-169.6-173.50000112.8D701 T705D701-V703 PolarHBondContact O-N 2.77Å; D701-V703 VanDerWaalsContact O-N 3.08Å; V703-T705 PolarHBondContact O-N 2.85Å
704R40.8Very low42.1Very low215 Ų215126 Ų12681%0.81170%0.698SS**  trans-7087.6169.1-81.1178.9160173.3-4.2110.7P702 K706P702-R704 PolarHBondContact O-N 3.16Å; R704-K706 WeakPolarHBondContact O-CG 3.38Å; R704-K706 PolarHBondContact O-N 2.86Å
705T43.9Very low42.7Very low108 Ų108123.1 Ų123.166%0.66368%0.675SS**SBendtrans49.812.4149.353.20000119.5V703V703-T705 PolarHBondContact O-N 2.85Å
706K42.3Very low43.5Very low200 Ų200125.5 Ų125.587%0.8768%0.68SS**  trans-98.26.6-175.7-77.3-176.4174.7-174.30115.6R704R704-K706 WeakPolarHBondContact O-CG 3.38Å; R704-K706 PolarHBondContact O-N 2.86Å
707K43.4Very low44Very low141 Ų141127.9 Ų127.961%0.61368%0.684SS**  trans-121.226.3176.9-78.7-164.8174.2-174.20114.1L713K707-L713 HydrophobicContact CB-CD1 4.44Å
708L47.7Very low44.5Very low95 Ų95126.9 Ų126.950%0.49767%0.67SS.*EExtended strand (participates in β ladder)trans-89.8114.4164.7-66.6172.9000109V712 L713L708-V712 WeakPolarHBondContact CA-O 3.42Å; L708-L713 HydrophobicContact CD2-CB 3.98Å; L708-L713 HydrophobicContact CD2-CD1 4.05Å
709R47.5Very low44.8Very low196 Ų196132.3 Ų132.374%0.7468%0.68SS**EExtended strand (participates in β ladder)trans-108.6128.2162.7-87.7-174.8167.7-174.1-4107.1S711 V712R709-S711 PolarHBondContact O-N 3.11Å; R709-S711 VanDerWaalsContact O-N 3.16Å; R709-V712 PolarHBondContact N-O 3.24Å; R709-V712 PolarHBondContact O-N 2.95Å
710N52.6Low45.3Very low162 Ų162132.6 Ų132.687%0.86667%0.674SS**THydrogen-bonded Turntrans49.440.1-177.4-56.5-1.6000113V712N710-V712 PolarHBondContact O-N 3.4Å; N710-V712 VanDerWaalsContact O-N 3.09Å
711S51.2Low45.7Very low113 Ų113132.7 Ų132.779%0.7968%0.68SS**THydrogen-bonded Turntrans61.55.7-175.1-55.70000116.7R709R709-S711 PolarHBondContact O-N 3.11Å; R709-S711 VanDerWaalsContact O-N 3.16Å
712V47.6Very low46.4Very low70 Ų70129.7 Ų129.742%0.42466%0.664SS.*EExtended strand (participates in β ladder)trans-96.4138.7173.7-178.80000110.3L708 R709 N710L708-V712 WeakPolarHBondContact CA-O 3.42Å; R709-V712 PolarHBondContact N-O 3.24Å; R709-V712 PolarHBondContact O-N 2.95Å; N710-V712 PolarHBondContact O-N 3.4Å; N710-V712 VanDerWaalsContact O-N 3.09Å
713L54.1Low46.6Very low70 Ų70129.8 Ų129.837%0.36667%0.666SS.*EExtended strand (participates in β ladder)trans-97.3101.6176.7-171.983.2000110.4M687 K707 L708 L715M687-L713 HydrophobicContact CE-CD2 3.49Å; M687-L713 VanDerWaalsContact CE-CD2 3.49Å; K707-L713 HydrophobicContact CB-CD1 4.44Å; L708-L713 HydrophobicContact CD2-CB 3.98Å; L708-L713 HydrophobicContact CD2-CD1 4.05Å; L713-L715 HydrophobicContact CD2-CD2 4.42Å
714Q51.7Low46.9Very low132 Ų132128.7 Ų128.762%0.61766%0.659SS**  trans-83122.2177-69.6-178.6-40.700111.5
715L53.3Low46.9Very low91 Ų91122.9 Ų122.948%0.47664%0.644SS.*  trans-107.8145169.7-62.7177.8000109.5L713L713-L715 HydrophobicContact CD2-CD2 4.42Å
716P47.9Very low47Very low105 Ų105121.7 Ų121.768%0.68263%0.633SS**  trans-69.2146.3172.130.8-34.2000110.5
717L44.9Very low47Very low186 Ų186118.3 Ų118.397%0.97462%0.62SS**  trans-58.7137.7173.9-72.7167000110.6
718C50Low46.9Very low79 Ų79120.1 Ų120.153%0.53462%0.623SS.*  trans-146.1132.8-173.6-176.70000109.4K720 I722C718-K720 PolarHBondContact O-N 2.92Å; C718-I722 HydrophobicContact CB-CD1 4.32Å
719E38.3Very low46.6Very low206 Ų206118.4 Ų118.496%0.96362%0.619SS**SBendtrans-73.48.1-179.1-58.2176.8154.100113.9
720K43.6Very low46.3Very low166 Ų166121.3 Ų121.372%0.72263%0.63SS**SBendtrans-126.9135-176.8-63.6-177.5-177.8178.80110.7C718 I722C718-K720 PolarHBondContact O-N 2.92Å; K720-I722 WeakPolarHBondContact O-CG1 3.42Å; K720-I722 PolarHBondContact O-N 3.21Å
721T44Very low46Very low145 Ų145122.9 Ų122.989%0.8963%0.629SS**  trans-57.7123.8-179.1-31.70000111.6
722I48.9Very low45.4Very low80 Ų80125.6 Ų125.641%0.4163%0.629SS.*  trans-101.7112.4-179.4-54.5-179.4000109.9I689 C718 K720 V724I689-I722 HydrophobicContact CG2-CG2 4.12Å; C718-I722 HydrophobicContact CB-CD1 4.32Å; K720-I722 WeakPolarHBondContact O-CG1 3.42Å; K720-I722 PolarHBondContact O-N 3.21Å; I722-V724 HydrophobicContact CG2-CG2 4.04Å
723S43.8Very low45.1Very low76 Ų76125.5 Ų125.553%0.53164%0.642SS.*  trans-82.6122171.8-59.90000110.9
724V47Very low44.6Very low66 Ų66130.7 Ų130.740%0.467%0.67SS.*EExtended strand (participates in β ladder)trans-115.6130-179.7-177.50000110M687 I722 I726M687-V724 HydrophobicContact CE-CG1 3.68Å; M687-V724 HydrophobicContact CG-CG1 3.73Å; M687-V724 HydrophobicContact SD-CG1 3.39Å; M687-V724 WeakPolarHBondContact SD-CG1 3.35Å; I722-V724 HydrophobicContact CG2-CG2 4.04Å; V724-I726 HydrophobicContact CG1-CG1 4.23Å
725N41.4Very low43.9Very low94 Ų94133.1 Ų133.150%0.50369%0.686SS.*EExtended strand (participates in β ladder)trans-118.8120.2178.2-164.7-33.9000110.4
726I46.8Very low43Very low82 Ų82134.9 Ų134.942%0.42171%0.705SS.*EExtended strand (participates in β ladder)trans-108.2115.7-174.7-55.2177.4000109W685 M687 V724W685-I726 HydrophobicContact CE3-CG2 3.72Å; W685-I726 HydrophobicContact CZ3-CG2 3.75Å; M687-I726 HydrophobicContact CG-CG1 4.17Å; M687-I726 HydrophobicContact SD-CG1 4.07Å; V724-I726 HydrophobicContact CG1-CG1 4.23Å
727Q40.8Very low42.4Very low130 Ų130134.3 Ų134.361%0.60771%0.708SS**EExtended strand (participates in β ladder)trans-115.7131.6179.7-63.9-173.5-1.800111.6
728R41.1Very low42.2Very low178 Ų178131.4 Ų131.467%0.67270%0.704SS**  trans-68.3135.4167-78.8-172.4172.4162.43.7109.7W685 R730W685-R728 HydrophobicContact CE3-CG 4.01Å; W685-R728 HydrophobicContact CH2-CG 3.4Å; W685-R728 VanDerWaalsContact CH2-CG 3.4Å; W685-R728 VanDerWaalsContact CH2-NE 3.28Å; W685-R728 HydrophobicContact CZ2-CG 4.15Å; W685-R728 HydrophobicContact CZ3-CB 4.32Å; W685-R728 HydrophobicContact CZ3-CG 3.29Å; R728-R730 PolarHBondContact O-N 3.41Å
729S41.7Very low41.5Very low59 Ų59132 Ų13241%0.41371%0.709SS.*  trans-66.9130.9174.71090000109.8T684 K731T684-S729 WeakPolarHBondContact O-CB 3.3Å; S729-K731 PolarHBondContact O-N 2.81Å
730R42.5Very low41.3Very low258 Ų258128.1 Ų128.197%0.97470%0.702SS**THydrogen-bonded Turntrans-80.627.2-167.5-144.7-177.4-161.1-175.56.3114.2R728R728-R730 PolarHBondContact O-N 3.41Å
731K45.1Very low41.1Very low194 Ų194123.5 Ų123.584%0.84369%0.694SS**THydrogen-bonded Turntrans-118.71.8-165.4-119.3-170.7-179.5-169.80116.8S729S729-K731 PolarHBondContact O-N 2.81Å
732E37.9Very low40.6Very low170 Ų170122 Ų12279%0.79469%0.69SS**  trans-114.1117.7166.9-70.9174.2169.700107.7
733G41.8Very low40.4Very low68 Ų68122.4 Ų122.470%0.70170%0.699SS**  trans-107.8157.4-177.100000111.6
734L44.3Very low40.4Very low179 Ų179122.9 Ų122.994%0.93770%0.701SS**  trans57.883.6175.8-66128000115.3
735L37.1Very low40.2Very low184 Ų184128.3 Ų128.396%0.96372%0.722SS**  -151.1136.7115.9-103171.2000108.7
736C34.6Very low40.3Very low128 Ų128130.7 Ų130.787%0.86574%0.739SS**  trans-104.1119.4-177.8-166.70000109.7
737A35.8Very low40Very low92 Ų92136.6 Ų136.676%0.7677%0.77SS**  trans-132.4116.7171.700000108.6S739A737-S739 PolarHBondContact O-N 3.09Å; A737-S739 VanDerWaalsContact O-N 3.15Å
738S40.5Very low39.9Very low125 Ų125137 Ų13787%0.87478%0.778SS**  trans-84.981.8-175.1530000111.6
739S33.8Very low39.9Very low93 Ų93134.8 Ų134.865%0.6578%0.783SS**SBendtrans-153.7137.9166.3-175.80000111.1A737 A741A737-S739 PolarHBondContact O-N 3.09Å; A737-S739 VanDerWaalsContact O-N 3.15Å; S739-A741 VanDerWaalsContact C-N 3.3Å; S739-A741 PolarHBondContact O-N 2.78Å
740P35.4Very low39.8Very low124 Ų124139 Ų13981%0.80580%0.804SS**  trans-74.881.1174.932.3-34.6000110.5S742P740-S742 VanDerWaalsContact C-N 3.31Å; P740-S742 PolarHBondContact O-N 3.11Å
741A38.1Very low39.6Very low69 Ų69132 Ų13257%0.5779%0.794SS**  trans-68.583.3177.900000112S739 C743S739-A741 VanDerWaalsContact C-N 3.3Å; S739-A741 PolarHBondContact O-N 2.78Å; A741-C743 PolarHBondContact O-N 2.94Å; A741-C743 VanDerWaalsContact O-N 3.12Å; A741-C743 PolarHBondContact O-SG 2.7Å
742S35.3Very low39.2Very low113 Ų113128.1 Ų128.179%0.7979%0.791SS**  trans-63.8106.4165.2-172.20000108.9P740P740-S742 VanDerWaalsContact C-N 3.31Å; P740-S742 PolarHBondContact O-N 3.11Å
743C43.1Very low39.3Very low88 Ų88125.3 Ų125.360%0.59579%0.791SS**  trans-123.845.1-172.747.30000111.8A741A741-C743 PolarHBondContact O-N 2.94Å; A741-C743 VanDerWaalsContact O-N 3.12Å; A741-C743 PolarHBondContact O-SG 2.7Å
744C44.5Very low39.2Very low86 Ų86129.4 Ų129.458%0.58180%0.797SS**  trans-140112.3171.3-70.20000108.9
745H42Very low38.8Very low181 Ų181125.6 Ų125.684%0.83879%0.786SS**  trans-93134.4161.6-73.194.2000108.2
746V45Very low38.9Very low144 Ų144120.8 Ų120.887%0.87377%0.772SS**  trans-90134.9164.3-176.90000106.9
747I38.8Very low39.3Very low206 Ų206120.1 Ų120.1100%1.05676%0.763SS**  trans-120.60174.9-50.6175.4000106.4

Retrieved 747 of 747 residues in 270.1 ms (Link to these results)

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